smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC1CCN(C(=O)C2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000052158629 214120693 /nfs/dbraw/zinc/12/06/93/214120693.db2.gz HTGXTLNEEBERNO-UHFFFAOYSA-N 1 0 345.443 3.065 20 5 EGBDRO Cc1cccc(C(=O)NCC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000054260510 214228669 /nfs/dbraw/zinc/22/86/69/214228669.db2.gz PCANEJFNNYVRBH-KBPBESRZSA-N 1 0 347.459 3.390 20 5 EGBDRO Cc1ncc2c(n1)CC[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)C2 ZINC000370671728 282171545 /nfs/dbraw/zinc/17/15/45/282171545.db2.gz WYLXBPJCTXRMPI-IUODEOHRSA-N 1 0 326.400 3.210 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)NC2CCCCC2)cc1[N+](=O)[O-] ZINC000178690931 232380511 /nfs/dbraw/zinc/38/05/11/232380511.db2.gz UDUHVCJZAAFBRE-KGLIPLIRSA-N 1 0 333.432 3.391 20 5 EGBDRO C[NH+]1CCC2(CCCN(c3ccc4ncccc4c3[N+](=O)[O-])C2)CC1 ZINC000369875410 282728633 /nfs/dbraw/zinc/72/86/33/282728633.db2.gz UKPYKORRUWBAFM-UHFFFAOYSA-N 1 0 340.427 3.455 20 5 EGBDRO O=[N+]([O-])c1c(NC[C@@H](c2ccco2)[NH+]2CCCC2)nc2sccn21 ZINC000029847919 202191224 /nfs/dbraw/zinc/19/12/24/202191224.db2.gz CWAQIIKJXDRHDY-NSHDSACASA-N 1 0 347.400 3.146 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000186996784 236090129 /nfs/dbraw/zinc/09/01/29/236090129.db2.gz RVMFQOMEVIFOAA-UHFFFAOYSA-N 1 0 333.432 3.076 20 5 EGBDRO CC(C)c1ccc(C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000187829285 535370749 /nfs/dbraw/zinc/37/07/49/535370749.db2.gz SYDXXKKUYUMUJU-LSDHHAIUSA-N 1 0 333.432 3.321 20 5 EGBDRO CC(C)(C)c1ccc(C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1[N+](=O)[O-] ZINC000374632223 168777718 /nfs/dbraw/zinc/77/77/18/168777718.db2.gz QIWHHHNTRFLFEZ-OFQRWUPVSA-N 1 0 345.443 3.092 20 5 EGBDRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000178161422 283463015 /nfs/dbraw/zinc/46/30/15/283463015.db2.gz RCJFZSHDSCCIPA-GWCFXTLKSA-N 1 0 333.413 3.057 20 5 EGBDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000072706081 202367083 /nfs/dbraw/zinc/36/70/83/202367083.db2.gz VZVCJQRFQDRFCW-LBPRGKRZSA-N 1 0 339.823 3.243 20 5 EGBDRO O=C(NCc1ccccc1[N+](=O)[O-])c1cccc(C[NH+]2CCCC2)c1 ZINC000064026369 201050785 /nfs/dbraw/zinc/05/07/85/201050785.db2.gz YPTSQRODCFJOLQ-UHFFFAOYSA-N 1 0 339.395 3.121 20 5 EGBDRO O=[N+]([O-])c1cccnc1Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000078495514 201188185 /nfs/dbraw/zinc/18/81/85/201188185.db2.gz WFSMPEJRHCAHHP-UHFFFAOYSA-N 1 0 330.413 3.282 20 5 EGBDRO Nc1ccc([N+](=O)[O-])c(NC[C@@H](c2cccs2)[NH+]2CCCC2)c1 ZINC000193375338 240135268 /nfs/dbraw/zinc/13/52/68/240135268.db2.gz DGMNDUMMJFXQAQ-HNNXBMFYSA-N 1 0 332.429 3.488 20 5 EGBDRO Cc1ccc([C@H](C)NC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000247171128 243385086 /nfs/dbraw/zinc/38/50/86/243385086.db2.gz VJGJCOYHXUILLY-NUEKZKHPSA-N 1 0 348.447 3.136 20 5 EGBDRO O=C(NCCC[NH+]1CCCCCC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000069248993 202984509 /nfs/dbraw/zinc/98/45/09/202984509.db2.gz PXBAMCAKCYLLIR-UHFFFAOYSA-N 1 0 339.823 3.244 20 5 EGBDRO C[N@H+](CCc1cccs1)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000072800988 203244541 /nfs/dbraw/zinc/24/45/41/203244541.db2.gz NJOAQTCOVKYXTF-UHFFFAOYSA-N 1 0 344.396 3.381 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@H]3CCCC[C@@H]3O)cs2)c1 ZINC000077465854 203389195 /nfs/dbraw/zinc/38/91/95/203389195.db2.gz LREXFTVFOYYDOY-CJNGLKHVSA-N 1 0 347.440 3.359 20 5 EGBDRO CCN(CC)[C@@H](C[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)c1ccco1 ZINC000106468585 204197396 /nfs/dbraw/zinc/19/73/96/204197396.db2.gz MFKGVENJIOIHOC-INIZCTEOSA-N 1 0 347.415 3.369 20 5 EGBDRO Cc1c(NC(=O)CC[N@@H+](C)[C@H](C)c2cccnc2)cccc1[N+](=O)[O-] ZINC000127787177 205116968 /nfs/dbraw/zinc/11/69/68/205116968.db2.gz CXOKFKJUUQKLDD-CQSZACIVSA-N 1 0 342.399 3.320 20 5 EGBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NCCCCn2ccnc2C)c1 ZINC000130454680 205240415 /nfs/dbraw/zinc/24/04/15/205240415.db2.gz MZBMQEZGPBWXMY-UHFFFAOYSA-N 1 0 348.428 3.032 20 5 EGBDRO Cc1c([C@@H](C)[NH2+]CCNC(=O)c2ccccc2F)cccc1[N+](=O)[O-] ZINC000130919733 205265863 /nfs/dbraw/zinc/26/58/63/205265863.db2.gz ICXYEDYOAWJHHM-CYBMUJFWSA-N 1 0 345.374 3.123 20 5 EGBDRO CC[C@@H](NC1CC[NH+](C[C@H]2CCOC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000133055380 205353454 /nfs/dbraw/zinc/35/34/54/205353454.db2.gz QJJTZOSCXIUCHU-DNVCBOLYSA-N 1 0 347.459 3.136 20 5 EGBDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000132887088 205346355 /nfs/dbraw/zinc/34/63/55/205346355.db2.gz CBLOGQSQAYUWJZ-ZDUSSCGKSA-N 1 0 337.395 3.118 20 5 EGBDRO CC(C)(C)OC(=O)N1CCC([NH2+]CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000158039401 206169570 /nfs/dbraw/zinc/16/95/70/206169570.db2.gz KDLGVMXZQLTWDU-UHFFFAOYSA-N 1 0 349.431 3.126 20 5 EGBDRO CC[NH+](CC)CCCCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000266063537 248071989 /nfs/dbraw/zinc/07/19/89/248071989.db2.gz VUXVROVXUYVSSA-UHFFFAOYSA-N 1 0 335.448 3.111 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC2CC[NH+](CCC(C)C)CC2)c1 ZINC000175169080 207100522 /nfs/dbraw/zinc/10/05/22/207100522.db2.gz UPFAFWOOPFVJOG-UHFFFAOYSA-N 1 0 347.459 3.391 20 5 EGBDRO C[C@H]1[C@H](c2ccccc2)CC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000177560173 207354665 /nfs/dbraw/zinc/35/46/65/207354665.db2.gz JXSIEFNJXPWELX-SUMWQHHRSA-N 1 0 339.395 3.072 20 5 EGBDRO COc1cccc2c1CC[C@H]2[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000268853605 252302286 /nfs/dbraw/zinc/30/22/86/252302286.db2.gz HPYHSARLTKETMX-MRXNPFEDSA-N 1 0 328.368 3.389 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@@H](O)c1ccccc1)C1CC1 ZINC000153774268 285161916 /nfs/dbraw/zinc/16/19/16/285161916.db2.gz PUNCWNDVHGRPHJ-PKOBYXMFSA-N 1 0 326.396 3.239 20 5 EGBDRO C[C@@H]1C[N@@H+](CCCNc2ccc([N+](=O)[O-])c3ncccc23)C[C@H](C)O1 ZINC000344483773 141163862 /nfs/dbraw/zinc/16/38/62/141163862.db2.gz NBINHQZYACYWAY-OKILXGFUSA-N 1 0 344.415 3.054 20 5 EGBDRO C[C@@H]([NH2+][C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CCCOC1 ZINC000348146215 141238506 /nfs/dbraw/zinc/23/85/06/141238506.db2.gz ULMBODJWYOSGLM-DYEKYZERSA-N 1 0 346.387 3.111 20 5 EGBDRO C[C@H](C[NH+]1CCCCCC1)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000356230789 141323781 /nfs/dbraw/zinc/32/37/81/141323781.db2.gz VHLLWFSMMDLSED-GFCCVEGCSA-N 1 0 339.823 3.243 20 5 EGBDRO C[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000356235366 141325271 /nfs/dbraw/zinc/32/52/71/141325271.db2.gz SKVFJGDVVRZUKR-SJCJKPOMSA-N 1 0 345.374 3.155 20 5 EGBDRO CCOC(=O)C[C@@](C)([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)C(C)C ZINC000185231882 144108217 /nfs/dbraw/zinc/10/82/17/144108217.db2.gz UQNWSKWLVHOIKM-QGZVFWFLSA-N 1 0 338.404 3.061 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@H](O)Cc1cccc(Cl)c1)CC2 ZINC000347033281 144251571 /nfs/dbraw/zinc/25/15/71/144251571.db2.gz MUEQOAWWHIETNR-GOSISDBHSA-N 1 0 346.814 3.210 20 5 EGBDRO CCc1ccc(C(=O)N(CC)CCC[NH+](CC)CC)cc1[N+](=O)[O-] ZINC000351818478 144310883 /nfs/dbraw/zinc/31/08/83/144310883.db2.gz XSEFYTVKCIDKSL-UHFFFAOYSA-N 1 0 335.448 3.351 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+](CC1CC1)CC1CC1 ZINC000115563592 152018499 /nfs/dbraw/zinc/01/84/99/152018499.db2.gz XBXNNDNZBZDMGH-UHFFFAOYSA-N 1 0 347.415 3.054 20 5 EGBDRO CC[C@@H]1CCC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000117335421 152094628 /nfs/dbraw/zinc/09/46/28/152094628.db2.gz BLYFHHODPNOBNI-CYBMUJFWSA-N 1 0 333.388 3.015 20 5 EGBDRO CCC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCc2ccccc21 ZINC000341609078 155381120 /nfs/dbraw/zinc/38/11/20/155381120.db2.gz FBCKMNKLYRGFME-GOSISDBHSA-N 1 0 341.411 3.156 20 5 EGBDRO Cc1cc(C(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)cc([N+](=O)[O-])c1 ZINC000346820911 156150763 /nfs/dbraw/zinc/15/07/63/156150763.db2.gz IXJODQHVQRVOLS-OAHLLOKOSA-N 1 0 341.411 3.154 20 5 EGBDRO COc1ccc(OCC[N@@H+]2CCC[C@@H]2c2cccnc2)c([N+](=O)[O-])c1 ZINC000346965346 156219968 /nfs/dbraw/zinc/21/99/68/156219968.db2.gz CBSZWLWEJDSJCV-MRXNPFEDSA-N 1 0 343.383 3.214 20 5 EGBDRO CCc1ccc(C(=O)NCCC[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000348930946 156291862 /nfs/dbraw/zinc/29/18/62/156291862.db2.gz ILHZPHVVZFIEAF-UHFFFAOYSA-N 1 0 333.432 3.009 20 5 EGBDRO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])[C@@]12CCCO2 ZINC000368707638 157270853 /nfs/dbraw/zinc/27/08/53/157270853.db2.gz NYZUMQYPYSJUTC-FZDIXFNVSA-N 1 0 348.443 3.232 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@@H](C)CCC[C@@H]1C ZINC000125165301 162265913 /nfs/dbraw/zinc/26/59/13/162265913.db2.gz CJYNQIOKRWXCHS-STQMWFEESA-N 1 0 335.404 3.052 20 5 EGBDRO CCCN(CC(=O)N(C)C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000130647377 162375796 /nfs/dbraw/zinc/37/57/96/162375796.db2.gz PUWLZFCSGPSQCU-UHFFFAOYSA-N 1 0 345.399 3.155 20 5 EGBDRO CC(C)N(C(=O)[C@H](C)[N@H+](C)CCc1cccc([N+](=O)[O-])c1)C(C)C ZINC000338353858 163219704 /nfs/dbraw/zinc/21/97/04/163219704.db2.gz OEVBZKRSJJIASZ-HNNXBMFYSA-N 1 0 335.448 3.103 20 5 EGBDRO CC(C)N(C(=O)[C@@H](C)[N@H+](C)CCc1cccc([N+](=O)[O-])c1)C(C)C ZINC000338353861 163219820 /nfs/dbraw/zinc/21/98/20/163219820.db2.gz OEVBZKRSJJIASZ-OAHLLOKOSA-N 1 0 335.448 3.103 20 5 EGBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000354371317 166010828 /nfs/dbraw/zinc/01/08/28/166010828.db2.gz GZIPJEFGGMIKLZ-GFCCVEGCSA-N 1 0 339.823 3.243 20 5 EGBDRO CC(C)[C@@H]1CCC[N@@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000343917363 164065026 /nfs/dbraw/zinc/06/50/26/164065026.db2.gz ZHBZIKNMKVJQNS-AWEZNQCLSA-N 1 0 333.388 3.013 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2nc(CN[C@@H]3CC[N@@H+](C4CC4)C3)cs2)c1 ZINC000344205461 164126778 /nfs/dbraw/zinc/12/67/78/164126778.db2.gz BZRXOURPCVVFEF-CYBMUJFWSA-N 1 0 344.440 3.045 20 5 EGBDRO CC[NH+](CC)[C@@H](CNC(=O)c1csc([N+](=O)[O-])c1)CC(C)C ZINC000344364122 164164323 /nfs/dbraw/zinc/16/43/23/164164323.db2.gz SDOOIRUKSLVINN-CYBMUJFWSA-N 1 0 327.450 3.143 20 5 EGBDRO CC(C)[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1)[NH+]1CCC(C)CC1 ZINC000345819405 164271726 /nfs/dbraw/zinc/27/17/26/164271726.db2.gz PUYIGMKXIUCYBI-QGZVFWFLSA-N 1 0 333.432 3.081 20 5 EGBDRO CCOC(=O)C1(C[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000351915300 165148998 /nfs/dbraw/zinc/14/89/98/165148998.db2.gz LXUCPVNVGSAZBO-UHFFFAOYSA-N 1 0 344.367 3.288 20 5 EGBDRO Cc1cccc(C)c1[C@@H](C)[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000355062499 166097209 /nfs/dbraw/zinc/09/72/09/166097209.db2.gz PVLWUBHUKYHMIS-CYBMUJFWSA-N 1 0 327.384 3.161 20 5 EGBDRO COc1cccc(NCCC[N@@H+]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000355338839 166169531 /nfs/dbraw/zinc/16/95/31/166169531.db2.gz GWEIVZRTEACDTR-UHFFFAOYSA-N 1 0 341.411 3.464 20 5 EGBDRO C[C@@H]([NH2+][C@@H]1CC(=O)N(c2ccccc2F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000359394228 167144816 /nfs/dbraw/zinc/14/48/16/167144816.db2.gz KYZLYWGOLJZXMB-TZMCWYRMSA-N 1 0 343.358 3.190 20 5 EGBDRO CC[C@@H](C)[NH2+][C@H](CNC(=O)c1ccc([N+](=O)[O-])c(C)c1)c1ccco1 ZINC000359547371 167188315 /nfs/dbraw/zinc/18/83/15/167188315.db2.gz SAUNZVDCDXHWPQ-UKRRQHHQSA-N 1 0 345.399 3.355 20 5 EGBDRO Cc1ccnc(OC2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000360208851 167271468 /nfs/dbraw/zinc/27/14/68/167271468.db2.gz NLEZLBLYBQGIAE-UHFFFAOYSA-N 1 0 327.384 3.342 20 5 EGBDRO CC[C@H]([NH2+]C[C@@H](CO)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000360340306 167307319 /nfs/dbraw/zinc/30/73/19/167307319.db2.gz YGGOTWXQHNQFGH-LPHOPBHVSA-N 1 0 328.412 3.487 20 5 EGBDRO COC1CCN(C(C)(C)C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000361209976 167556121 /nfs/dbraw/zinc/55/61/21/167556121.db2.gz WDQJLNCYOIYXCS-OAHLLOKOSA-N 1 0 349.475 3.443 20 5 EGBDRO CC[NH+](CC)[C@H]1CCN(Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000362384531 167742674 /nfs/dbraw/zinc/74/26/74/167742674.db2.gz HFIDMFTVGBNJSF-KRWDZBQOSA-N 1 0 335.448 3.298 20 5 EGBDRO C[C@H]1C[C@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CN1C1CC1 ZINC000166246604 226153785 /nfs/dbraw/zinc/15/37/85/226153785.db2.gz CMYQWAHTNSWSIP-OWQGQXMQSA-N 1 0 329.444 3.131 20 5 EGBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC(CCc3ccccc3)CC2)c1 ZINC000174813904 265073945 /nfs/dbraw/zinc/07/39/45/265073945.db2.gz KTGKRYOLZQRDGP-UHFFFAOYSA-N 1 0 328.416 3.136 20 5 EGBDRO Cc1ccc([C@H](C)NC(=O)N[C@@H](C)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000175787371 265137404 /nfs/dbraw/zinc/13/74/04/265137404.db2.gz UKKFMNOKACKKEX-GJZGRUSLSA-N 1 0 348.447 3.138 20 5 EGBDRO COc1cccc(C(=O)Nc2cc(C[NH+](C)C)ccc2C)c1[N+](=O)[O-] ZINC000192683403 265982019 /nfs/dbraw/zinc/98/20/19/265982019.db2.gz NNDHIIIYWUDFNU-UHFFFAOYSA-N 1 0 343.383 3.226 20 5 EGBDRO C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000237534897 266236313 /nfs/dbraw/zinc/23/63/13/266236313.db2.gz LEKSGWVLKHIIGS-CQSZACIVSA-N 1 0 342.395 3.477 20 5 EGBDRO CC[N@@H+](Cc1ccc(OC)cc1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269644436 266332498 /nfs/dbraw/zinc/33/24/98/266332498.db2.gz DANCASNLDWJZTQ-GOSISDBHSA-N 1 0 330.384 3.159 20 5 EGBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000273362213 267027432 /nfs/dbraw/zinc/02/74/32/267027432.db2.gz FJBPJWIOYDGMEU-LBPRGKRZSA-N 1 0 338.383 3.072 20 5 EGBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@H]2c2cccs2)c1 ZINC000274067272 267175126 /nfs/dbraw/zinc/17/51/26/267175126.db2.gz PYLUDKBGKXIJMH-HOCLYGCPSA-N 1 0 348.424 3.233 20 5 EGBDRO Cc1c([C@H](C)NCCC[N@@H+]2CCCO[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000278385807 268000750 /nfs/dbraw/zinc/00/07/50/268000750.db2.gz CNVGXATZDRWYFW-HOCLYGCPSA-N 1 0 335.448 3.055 20 5 EGBDRO COC(=O)c1occc1C[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000344637954 274009558 /nfs/dbraw/zinc/00/95/58/274009558.db2.gz WZNHDFVTVJBECB-UHFFFAOYSA-N 1 0 332.356 3.087 20 5 EGBDRO CSC1(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCOCC1 ZINC000193008877 274174771 /nfs/dbraw/zinc/17/47/71/274174771.db2.gz DRTSXQFALGYKGM-MRXNPFEDSA-N 1 0 336.457 3.474 20 5 EGBDRO C[C@]1(CO)CCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000339106892 274652123 /nfs/dbraw/zinc/65/21/23/274652123.db2.gz BOFRQIORFOWLIH-ZIAGYGMSSA-N 1 0 332.322 3.254 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+]([C@H]3CCc4ccc(F)cc43)C2)nc1 ZINC000361399042 275037169 /nfs/dbraw/zinc/03/71/69/275037169.db2.gz CDIZHWUQIVUATB-PBHICJAKSA-N 1 0 342.374 3.303 20 5 EGBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@H](c2ccccc2)CC1 ZINC000159800408 275043963 /nfs/dbraw/zinc/04/39/63/275043963.db2.gz IVCWGURGLFPSSB-KRWDZBQOSA-N 1 0 341.411 3.026 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000162875489 275196741 /nfs/dbraw/zinc/19/67/41/275196741.db2.gz GSILXJWBCPULFO-CQSZACIVSA-N 1 0 334.420 3.145 20 5 EGBDRO CCC[C@]1(COC)CCC[N@@H+]1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000194919006 275230230 /nfs/dbraw/zinc/23/02/30/275230230.db2.gz UQOBFZFQVVSRDS-GOSISDBHSA-N 1 0 349.431 3.123 20 5 EGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCSCCCO ZINC000271068060 275237625 /nfs/dbraw/zinc/23/76/25/275237625.db2.gz DNEFIHFTXXATFN-ZDUSSCGKSA-N 1 0 344.502 3.171 20 5 EGBDRO CC(C)[C@H](O)C1(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000271895412 275239425 /nfs/dbraw/zinc/23/94/25/275239425.db2.gz TVCSMYNPGJUQMR-AEFFLSMTSA-N 1 0 332.444 3.303 20 5 EGBDRO COC[C@@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CCCO1 ZINC000278614581 275259290 /nfs/dbraw/zinc/25/92/90/275259290.db2.gz JCPPNIWOURYYSS-SJLPKXTDSA-N 1 0 346.383 3.138 20 5 EGBDRO CC(C)(C)[C@@H]1C[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CS1 ZINC000278714633 275268091 /nfs/dbraw/zinc/26/80/91/275268091.db2.gz OZUUYFMTYIMELX-YGRLFVJLSA-N 1 0 334.445 3.481 20 5 EGBDRO CC1(C)C[C@H]([NH2+]Cc2cccc(C(N)=O)c2)c2cc([N+](=O)[O-])ccc21 ZINC000279167796 275309386 /nfs/dbraw/zinc/30/93/86/275309386.db2.gz UOMJBLBHOGZDKM-KRWDZBQOSA-N 1 0 339.395 3.206 20 5 EGBDRO CC[N@@H+]1CC[C@H](NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[C@H](C)C1 ZINC000279609671 275343788 /nfs/dbraw/zinc/34/37/88/275343788.db2.gz XGUMQDTWKJUFKR-ABAIWWIYSA-N 1 0 345.365 3.434 20 5 EGBDRO CC1(C)CC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CCS1 ZINC000279747879 275355965 /nfs/dbraw/zinc/35/59/65/275355965.db2.gz PUXVXXSPJUPOGD-UHFFFAOYSA-N 1 0 348.428 3.362 20 5 EGBDRO CC(C)C[C@@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)[NH+](C)C ZINC000358028973 275586293 /nfs/dbraw/zinc/58/62/93/275586293.db2.gz QEEVXOMAKFFOJF-AWEZNQCLSA-N 1 0 333.388 3.047 20 5 EGBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1nc2ccccc2cc1[N+](=O)[O-] ZINC000286241562 275968783 /nfs/dbraw/zinc/96/87/83/275968783.db2.gz FKSWLDUIVFMWLL-UKRRQHHQSA-N 1 0 326.400 3.206 20 5 EGBDRO CC(C)(C)c1ccc(C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000289357631 276327130 /nfs/dbraw/zinc/32/71/30/276327130.db2.gz YUKHUYHNMQREFR-LJQANCHMSA-N 1 0 345.443 3.108 20 5 EGBDRO C[NH+]1CCC(CCNC(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000289625526 276368280 /nfs/dbraw/zinc/36/82/80/276368280.db2.gz KCGNQWXPIRFELE-UHFFFAOYSA-N 1 0 340.811 3.102 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000289648972 276371944 /nfs/dbraw/zinc/37/19/44/276371944.db2.gz DHCUFYPKHOJXIO-CYBMUJFWSA-N 1 0 348.447 3.351 20 5 EGBDRO CCOc1ccc([C@H](C)[NH2+]CCc2nnc(C)s2)cc1[N+](=O)[O-] ZINC000289721358 276383203 /nfs/dbraw/zinc/38/32/03/276383203.db2.gz JRMNSNVTSGDZEC-JTQLQIEISA-N 1 0 336.417 3.047 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000289783391 276393881 /nfs/dbraw/zinc/39/38/81/276393881.db2.gz RRLCKZVVXLDGFU-YFCVBGDOSA-N 1 0 344.333 3.387 20 5 EGBDRO CSC[C@](C)(O)C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290770209 276539217 /nfs/dbraw/zinc/53/92/17/276539217.db2.gz BDANQTNBWFFWSG-GFCCVEGCSA-N 1 0 339.244 3.105 20 5 EGBDRO CC[NH+](CC)CCCNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000291415512 276640883 /nfs/dbraw/zinc/64/08/83/276640883.db2.gz HDRUMPNYSGDMRZ-UHFFFAOYSA-N 1 0 348.230 3.363 20 5 EGBDRO C[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)[C@H]1OCCc2sccc21 ZINC000292275249 276761076 /nfs/dbraw/zinc/76/10/76/276761076.db2.gz BJSZAOLUAYFRDQ-SJKOYZFVSA-N 1 0 348.424 3.327 20 5 EGBDRO CCC[C@@H]1C[NH2+]CCN1C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000359219065 278893570 /nfs/dbraw/zinc/89/35/70/278893570.db2.gz HTAVEJXIORGPBT-CQSZACIVSA-N 1 0 333.432 3.106 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@H](C2(C)OCCO2)C1 ZINC000183854916 281019627 /nfs/dbraw/zinc/01/96/27/281019627.db2.gz KNBAQVYAROLVCM-CABCVRRESA-N 1 0 334.416 3.439 20 5 EGBDRO C[NH+](C)CCN(Cc1ccccc1F)Cc1ccccc1[N+](=O)[O-] ZINC000348907624 289148121 /nfs/dbraw/zinc/14/81/21/289148121.db2.gz XWMDOHODFDYAOR-UHFFFAOYSA-N 1 0 331.391 3.298 20 5 EGBDRO COc1cccc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000249346874 295306144 /nfs/dbraw/zinc/30/61/44/295306144.db2.gz OOEPDJGKQGNGLD-ZFWWWQNUSA-N 1 0 331.416 3.057 20 5 EGBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)NCc1cccs1 ZINC000056196613 307342578 /nfs/dbraw/zinc/34/25/78/307342578.db2.gz XHMUKCGMAKZBQL-NWDGAFQWSA-N 1 0 333.413 3.012 20 5 EGBDRO Cc1c(C[NH2+]C(C)(C)C(=O)NCC2CCCCC2)cccc1[N+](=O)[O-] ZINC000155293942 307811539 /nfs/dbraw/zinc/81/15/39/307811539.db2.gz QRVFTGQQMKLFHR-UHFFFAOYSA-N 1 0 347.459 3.468 20 5 EGBDRO O=[N+]([O-])c1ccc2nc(N3CC[C@H](C[NH+]4CCCC4)C3)ccc2c1 ZINC000293026739 308091425 /nfs/dbraw/zinc/09/14/25/308091425.db2.gz JNZRGXVLSLJOEH-CQSZACIVSA-N 1 0 326.400 3.065 20 5 EGBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000293329869 308120828 /nfs/dbraw/zinc/12/08/28/308120828.db2.gz JLFRJHAALSQAEU-ZIAGYGMSSA-N 1 0 348.447 3.002 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCCc2c(cnn2C)C1 ZINC000414474205 309082546 /nfs/dbraw/zinc/08/25/46/309082546.db2.gz RQMCXEUWCIPIHE-NTEUORMPSA-N 1 0 326.400 3.180 20 5 EGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CC(N)=O)c1ccccc1 ZINC000293697011 308153614 /nfs/dbraw/zinc/15/36/14/308153614.db2.gz RGCDTEZIDGAIMR-PBHICJAKSA-N 1 0 341.411 3.122 20 5 EGBDRO COCC1(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCOCC1 ZINC000293782650 308161431 /nfs/dbraw/zinc/16/14/31/308161431.db2.gz TZEFCDCDMGEHRC-KRWDZBQOSA-N 1 0 334.416 3.005 20 5 EGBDRO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C[C@H]1CCC[C@@H]1O ZINC000293937509 308175722 /nfs/dbraw/zinc/17/57/22/308175722.db2.gz ZKLUNAFPTNQDLJ-YGRLFVJLSA-N 1 0 332.322 3.206 20 5 EGBDRO C[N@@H+]1CCC[C@@]2(CCN(c3nccc4cc([N+](=O)[O-])ccc43)C2)C1 ZINC000294964448 308276766 /nfs/dbraw/zinc/27/67/66/308276766.db2.gz NRSXCPUIFGXYGZ-GOSISDBHSA-N 1 0 326.400 3.065 20 5 EGBDRO CN(C)C(=O)C1([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CCCCC1 ZINC000295118858 308293703 /nfs/dbraw/zinc/29/37/03/308293703.db2.gz JMDWSHBCXNKEDA-UHFFFAOYSA-N 1 0 339.823 3.129 20 5 EGBDRO O=C1CCCN1[C@@H]1CCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000414551602 309088265 /nfs/dbraw/zinc/08/82/65/309088265.db2.gz OSBBMJXDRYTQAZ-OPQSBORISA-N 1 0 343.427 3.085 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[N@@H+](C2CC2)C[C@@H](C)C1 ZINC000295443925 308327146 /nfs/dbraw/zinc/32/71/46/308327146.db2.gz AHUKUMCCZDXTKV-GFCCVEGCSA-N 1 0 345.443 3.076 20 5 EGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](c3ccncc3)C2)c([N+](=O)[O-])c1 ZINC000296074917 308391071 /nfs/dbraw/zinc/39/10/71/308391071.db2.gz VOXNAZKPGJHWCM-AWEZNQCLSA-N 1 0 342.355 3.278 20 5 EGBDRO Cc1cccc(C(=O)NC2CC[NH+](CC3CCCC3)CC2)c1[N+](=O)[O-] ZINC000299288123 308668767 /nfs/dbraw/zinc/66/87/67/308668767.db2.gz BMOBQQQNXHJKRG-UHFFFAOYSA-N 1 0 345.443 3.288 20 5 EGBDRO COc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000299375613 308671967 /nfs/dbraw/zinc/67/19/67/308671967.db2.gz FZWRAKGUBPOHJN-QWHCGFSZSA-N 1 0 343.383 3.281 20 5 EGBDRO COc1cc(C[NH2+]C[C@H]2C[C@H]2C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000299667376 308683744 /nfs/dbraw/zinc/68/37/44/308683744.db2.gz XQHYPMJSSAPDAQ-NXEZZACHSA-N 1 0 348.321 3.290 20 5 EGBDRO CC(C)[C@@H](C(=O)N(C)Cc1ccccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000330612238 308796838 /nfs/dbraw/zinc/79/68/38/308796838.db2.gz WYKYAJSUFSVEIR-KRWDZBQOSA-N 1 0 333.432 3.064 20 5 EGBDRO CC(=O)N[C@H](C)C1CC[NH+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000331159180 308802692 /nfs/dbraw/zinc/80/26/92/308802692.db2.gz ZQQVRKZCZJFSSF-ZIAGYGMSSA-N 1 0 333.432 3.201 20 5 EGBDRO C[C@H]1CC(C)(C)C[C@](CO)([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000332235574 308831292 /nfs/dbraw/zinc/83/12/92/308831292.db2.gz PXTMFFBJSSMGIA-KPZWWZAWSA-N 1 0 346.431 3.138 20 5 EGBDRO O=[N+]([O-])c1ccc2ccnc(NC3CC[NH+](CC4CC4)CC3)c2c1 ZINC000413063834 309014197 /nfs/dbraw/zinc/01/41/97/309014197.db2.gz DWGVBKLEJMYHDX-UHFFFAOYSA-N 1 0 326.400 3.429 20 5 EGBDRO O=[N+]([O-])c1cnc(N[C@H]2CCC[N@H+](Cc3ccccc3)C2)c(F)c1 ZINC000413099160 309016046 /nfs/dbraw/zinc/01/60/46/309016046.db2.gz SPQGFIDOYXYTFM-AWEZNQCLSA-N 1 0 330.363 3.205 20 5 EGBDRO CC[NH+]1CCN(c2cccc(Nc3ncc([N+](=O)[O-])cc3F)c2)CC1 ZINC000413223280 309022362 /nfs/dbraw/zinc/02/23/62/309022362.db2.gz CWHVSPJIIDBLBS-UHFFFAOYSA-N 1 0 345.378 3.014 20 5 EGBDRO CCN(CCC[NH+]1CCCC1)c1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413255695 309023795 /nfs/dbraw/zinc/02/37/95/309023795.db2.gz KEGLTHOYUPQLKF-UHFFFAOYSA-N 1 0 346.353 3.321 20 5 EGBDRO C[N@@H+]1CCC[C@]2(CCN(c3ccc([N+](=O)[O-])c4ncccc34)C2)C1 ZINC000413290246 309025384 /nfs/dbraw/zinc/02/53/84/309025384.db2.gz BMOJXNFILZQYPB-SFHVURJKSA-N 1 0 326.400 3.065 20 5 EGBDRO CC1(C)C[NH2+]CC[C@@H]1NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000414982669 309112836 /nfs/dbraw/zinc/11/28/36/309112836.db2.gz YUWBGJJMWKNDGS-KRWDZBQOSA-N 1 0 329.400 3.333 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000415297848 309130350 /nfs/dbraw/zinc/13/03/50/309130350.db2.gz OGIYKOBTYCUTQA-UHFFFAOYSA-N 1 0 340.383 3.137 20 5 EGBDRO C[NH2+]C[C@@H](C)CNc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000420190603 309276898 /nfs/dbraw/zinc/27/68/98/309276898.db2.gz HAVZVSBCUBNVFL-CYBMUJFWSA-N 1 0 327.384 3.093 20 5 EGBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000421704865 309335817 /nfs/dbraw/zinc/33/58/17/309335817.db2.gz PZMMXHXJYDTVLR-AWEZNQCLSA-N 1 0 333.432 3.059 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000421746625 309338239 /nfs/dbraw/zinc/33/82/39/309338239.db2.gz DUATUJRQSZLDCD-WFASDCNBSA-N 1 0 333.432 3.062 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCCC[NH+](C(C)C)C(C)C ZINC000421781601 309339890 /nfs/dbraw/zinc/33/98/90/309339890.db2.gz YXFQFESUBUAJDD-UHFFFAOYSA-N 1 0 335.448 3.450 20 5 EGBDRO CCCN1C[C@@H](C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1=O ZINC000421877343 309344624 /nfs/dbraw/zinc/34/46/24/309344624.db2.gz KPEYINHESZWTGS-DYVFJYSZSA-N 1 0 345.443 3.165 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000422827900 309370489 /nfs/dbraw/zinc/37/04/89/309370489.db2.gz FHTMXZWLBMVYPK-HNNXBMFYSA-N 1 0 333.432 3.157 20 5 EGBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NCC[NH2+]C1CCCCCC1 ZINC000422865608 309372801 /nfs/dbraw/zinc/37/28/01/309372801.db2.gz YTNJZMSEUOUGJJ-UHFFFAOYSA-N 1 0 349.431 3.036 20 5 EGBDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429837938 309591120 /nfs/dbraw/zinc/59/11/20/309591120.db2.gz GXRRZCLVCZULSX-OAHLLOKOSA-N 1 0 349.475 3.499 20 5 EGBDRO CCCN(Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CC[NH2+]C1 ZINC000435380718 309730550 /nfs/dbraw/zinc/73/05/50/309730550.db2.gz PFEONRRQDJLMDB-MRXNPFEDSA-N 1 0 346.456 3.292 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@]1(CO)CCCc2ccccc21 ZINC000441372048 309870122 /nfs/dbraw/zinc/87/01/22/309870122.db2.gz WOQVNQGPFZKBNI-FXVWLTTGSA-N 1 0 338.407 3.422 20 5 EGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2C[C@@H]2Cc2ccccc2)n1 ZINC000447581913 309983239 /nfs/dbraw/zinc/98/32/39/309983239.db2.gz XBJRPTGVHBWCTF-WNRNVDISSA-N 1 0 340.427 3.496 20 5 EGBDRO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)[C@@]12CCCO2 ZINC000447595394 309983764 /nfs/dbraw/zinc/98/37/64/309983764.db2.gz NGCXTNNFNABKDB-OKYOBFRVSA-N 1 0 346.427 3.288 20 5 EGBDRO Cc1cccc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1F ZINC000449028699 310030834 /nfs/dbraw/zinc/03/08/34/310030834.db2.gz MJVCLXWXTXDJCJ-CQSZACIVSA-N 1 0 330.363 3.124 20 5 EGBDRO CCCOc1ncccc1C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449105861 310037519 /nfs/dbraw/zinc/03/75/19/310037519.db2.gz JNIOHARHIIOKOK-CQSZACIVSA-N 1 0 329.400 3.499 20 5 EGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCC[C@@H]1n1cccn1 ZINC000449180785 310042652 /nfs/dbraw/zinc/04/26/52/310042652.db2.gz CCMZPFCGSHCPAM-KYJSFNMBSA-N 1 0 328.416 3.496 20 5 EGBDRO CCc1ccc([C@@H](CO)[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000449217187 310045281 /nfs/dbraw/zinc/04/52/81/310045281.db2.gz XPCIJPONCGTCAU-KBXCAEBGSA-N 1 0 328.412 3.411 20 5 EGBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(c2nccc3c2cccc3[N+](=O)[O-])C[C@@H](C)C1 ZINC000450542814 310129082 /nfs/dbraw/zinc/12/90/82/310129082.db2.gz VOAJQADHNKATPS-PMUMKWKESA-N 1 0 340.427 3.310 20 5 EGBDRO C[C@@H]1CN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)C[C@H](C)[N@H+]1C ZINC000450543027 310129088 /nfs/dbraw/zinc/12/90/88/310129088.db2.gz IYWIAAYKGBLMGB-TXEJJXNPSA-N 1 0 332.429 3.247 20 5 EGBDRO C[C@H]([NH2+]CCCOc1ccc2c(c1)OCO2)c1ccc([N+](=O)[O-])cc1 ZINC000451102835 310160696 /nfs/dbraw/zinc/16/06/96/310160696.db2.gz FDRDVLLOTLGLSF-ZDUSSCGKSA-N 1 0 344.367 3.443 20 5 EGBDRO Cc1cc(C)cc(OC[C@H](O)C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000451109036 310160907 /nfs/dbraw/zinc/16/09/07/310160907.db2.gz XPRQBKADMTYXHJ-MAUKXSAKSA-N 1 0 344.411 3.302 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H]1C[C@@H](OC(C)C)C1(C)C ZINC000451488605 310180942 /nfs/dbraw/zinc/18/09/42/310180942.db2.gz BDYROFRLMWCHLX-HZPDHXFCSA-N 1 0 349.431 3.023 20 5 EGBDRO CO[C@@H]1[C@@H](C)[C@H]([NH2+]Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1(C)C ZINC000451497078 310181158 /nfs/dbraw/zinc/18/11/58/310181158.db2.gz JJKRLTYXWHUHMY-KNXALSJPSA-N 1 0 345.399 3.399 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H]1C[C@@H](OC(C)C)C1(C)C ZINC000451499222 310181419 /nfs/dbraw/zinc/18/14/19/310181419.db2.gz MTHUYLUQNJJHPQ-HUUCEWRRSA-N 1 0 349.431 3.023 20 5 EGBDRO CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451549218 310185397 /nfs/dbraw/zinc/18/53/97/310185397.db2.gz PFIVNMKINDJHKE-GDBMZVCRSA-N 1 0 333.432 3.030 20 5 EGBDRO COC[C@@H]1CCCC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000452033868 310208381 /nfs/dbraw/zinc/20/83/81/310208381.db2.gz CUJNLNZXFZQVQV-INIZCTEOSA-N 1 0 345.399 3.293 20 5 EGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1(C(=O)Nc2ccccc2)CC1 ZINC000453198337 310263481 /nfs/dbraw/zinc/26/34/81/310263481.db2.gz NXNJZKQFJIDXQX-CQSZACIVSA-N 1 0 339.395 3.287 20 5 EGBDRO C[C@H](Cc1cnn(C)c1)[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000453364740 310273110 /nfs/dbraw/zinc/27/31/10/310273110.db2.gz VNZGWUOQXOXREL-KYJSFNMBSA-N 1 0 342.443 3.260 20 5 EGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCOCC2CCCC2)n1 ZINC000453384913 310274038 /nfs/dbraw/zinc/27/40/38/310274038.db2.gz CSPMIRLCRNETMA-HZPDHXFCSA-N 1 0 336.436 3.071 20 5 EGBDRO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccnc1C)c1cccc([N+](=O)[O-])c1 ZINC000453442244 310277349 /nfs/dbraw/zinc/27/73/49/310277349.db2.gz NHXMLBCBOCWRAN-XJKSGUPXSA-N 1 0 342.399 3.366 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@]1(C)CCCC[C@H]1C ZINC000459615925 310564486 /nfs/dbraw/zinc/56/44/86/310564486.db2.gz PNYVUVNSIKMWQQ-ACJLOTCBSA-N 1 0 349.431 3.490 20 5 EGBDRO CCC[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C1CCC1 ZINC000459792298 310575528 /nfs/dbraw/zinc/57/55/28/310575528.db2.gz IUBLDGRHUXOJBI-HNNXBMFYSA-N 1 0 349.431 3.490 20 5 EGBDRO C[C@H]([NH2+]CC1(N(C)C)Cc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000467855333 310678819 /nfs/dbraw/zinc/67/88/19/310678819.db2.gz YJUZBXFDALUEMS-HNNXBMFYSA-N 1 0 339.439 3.345 20 5 EGBDRO C[C@H](C[NH+]1CCCCCC1)NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000476226453 310824572 /nfs/dbraw/zinc/82/45/72/310824572.db2.gz XTWIORQTKZPIMG-OAHLLOKOSA-N 1 0 347.459 3.253 20 5 EGBDRO C[C@@H]([NH2+]C[C@](C)(CO)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000478184234 310855809 /nfs/dbraw/zinc/85/58/09/310855809.db2.gz XQKHOSXOIXABLR-DNVCBOLYSA-N 1 0 328.412 3.487 20 5 EGBDRO C[C@@](CO)(C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000483657339 310954021 /nfs/dbraw/zinc/95/40/21/310954021.db2.gz HQJFECHMVRRVMB-OEMHODTASA-N 1 0 340.423 3.439 20 5 EGBDRO CCC[NH+]1CCC(NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000489410786 311104663 /nfs/dbraw/zinc/10/46/63/311104663.db2.gz ZSBGKYRPDWMKIM-UHFFFAOYSA-N 1 0 348.447 3.004 20 5 EGBDRO CCN(CCNc1ccc(C(C)=O)cc1[N+](=O)[O-])CCC(F)(F)F ZINC000491547674 311184164 /nfs/dbraw/zinc/18/41/64/311184164.db2.gz QBOMCIPPAIZXJP-UHFFFAOYSA-N 1 0 347.337 3.484 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCNC(=O)OC(C)(C)C ZINC000492514246 311260221 /nfs/dbraw/zinc/26/02/21/311260221.db2.gz WCCDHJPMJLLBGZ-JLHYYAGUSA-N 1 0 335.404 3.112 20 5 EGBDRO CCOc1cc(CN2CCC[C@H]2C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000492775644 311289660 /nfs/dbraw/zinc/28/96/60/311289660.db2.gz SIKYKWRXNSFZAC-KRWDZBQOSA-N 1 0 347.459 3.444 20 5 EGBDRO CCOc1cc(C[N@@H+]2CCC[C@H]2C2CCOCC2)ccc1[N+](=O)[O-] ZINC000492792688 311291813 /nfs/dbraw/zinc/29/18/13/311291813.db2.gz TYUUBFXPGDZDEM-INIZCTEOSA-N 1 0 334.416 3.385 20 5 EGBDRO CCCC[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000492818406 311294869 /nfs/dbraw/zinc/29/48/69/311294869.db2.gz NYKZDBVVVXLLET-OWCLPIDISA-N 1 0 336.432 3.283 20 5 EGBDRO CC[NH+](CC)CCCNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000493320391 311359398 /nfs/dbraw/zinc/35/93/98/311359398.db2.gz LIMYXDLOIBKRKA-UHFFFAOYSA-N 1 0 335.448 3.354 20 5 EGBDRO Cc1ccc(Sc2ccc(C[N@H+](C)CCO)cc2[N+](=O)[O-])cc1 ZINC000505315437 312019780 /nfs/dbraw/zinc/01/97/80/312019780.db2.gz YVXIAIIHQBNCMD-UHFFFAOYSA-N 1 0 332.425 3.479 20 5 EGBDRO CC[N@H+](CCO)Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000505863978 312036783 /nfs/dbraw/zinc/03/67/83/312036783.db2.gz IQPNHVLRVCCLFY-UHFFFAOYSA-N 1 0 329.400 3.177 20 5 EGBDRO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C[C@H]1COc2ccccc2O1 ZINC000506767302 312054324 /nfs/dbraw/zinc/05/43/24/312054324.db2.gz MKBZKKIOQQTIFL-IOBAAEILSA-N 1 0 340.379 3.380 20 5 EGBDRO COC(=O)[C@H]1CCCC[C@]1(C)[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000508966016 312106403 /nfs/dbraw/zinc/10/64/03/312106403.db2.gz UYUGZBUACYGZCL-WBMJQRKESA-N 1 0 342.342 3.085 20 5 EGBDRO Cc1ccc(C[C@@H](CO)[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])cc1C ZINC000514799732 312246495 /nfs/dbraw/zinc/24/64/95/312246495.db2.gz XRUKPYTXYOPADS-LPHOPBHVSA-N 1 0 340.423 3.392 20 5 EGBDRO CCCC[N@H+](C)C[C@H](C)Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000515087785 312265057 /nfs/dbraw/zinc/26/50/57/312265057.db2.gz RHAKIDWVTDQUKC-LBPRGKRZSA-N 1 0 334.420 3.012 20 5 EGBDRO Cc1ccc(C[NH2+]CCN2c3ccccc3C[C@@H]2C)cc1[N+](=O)[O-] ZINC000520221213 312496631 /nfs/dbraw/zinc/49/66/31/312496631.db2.gz YTYWYBAVTQLWJM-HNNXBMFYSA-N 1 0 325.412 3.444 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCc2nc(C)ncc2C1 ZINC000532202764 313768624 /nfs/dbraw/zinc/76/86/24/313768624.db2.gz YDRVHRQJFOBGKD-IUODEOHRSA-N 1 0 326.400 3.210 20 5 EGBDRO COc1ccc2c(c1)CC[N@@H+](CCOc1ccccc1[N+](=O)[O-])CC2 ZINC000534837651 314001324 /nfs/dbraw/zinc/00/13/24/314001324.db2.gz PBKYGCZBAVTMNA-UHFFFAOYSA-N 1 0 342.395 3.083 20 5 EGBDRO C[N@H+](CC1CC1)C[C@H]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000536697832 314139952 /nfs/dbraw/zinc/13/99/52/314139952.db2.gz RRYJCBPKVOWXHL-XQDHMALISA-N 1 0 329.444 3.272 20 5 EGBDRO COC(=O)CN(CCc1ccccc1)Cc1cccc([N+](=O)[O-])c1C ZINC000537562541 314188819 /nfs/dbraw/zinc/18/88/19/314188819.db2.gz TVMHPGVJDAKYIW-UHFFFAOYSA-N 1 0 342.395 3.121 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]C2CCN(c3cnccn3)CC2)cc1[N+](=O)[O-] ZINC000539122716 314297302 /nfs/dbraw/zinc/29/73/02/314297302.db2.gz VYSBSDVOASFJLP-AWEZNQCLSA-N 1 0 341.415 3.013 20 5 EGBDRO CC(C)CN(CC(C)C)C(=O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000540376396 314377459 /nfs/dbraw/zinc/37/74/59/314377459.db2.gz QCNFLMVSHAPGGA-HNNXBMFYSA-N 1 0 335.448 3.386 20 5 EGBDRO CCc1ccc([C@H]([NH2+]C[C@@H](C)CCO)c2ccc([N+](=O)[O-])cc2)o1 ZINC000541543438 314466953 /nfs/dbraw/zinc/46/69/53/314466953.db2.gz MRKCMTAAZPSZFB-SCLBCKFNSA-N 1 0 332.400 3.448 20 5 EGBDRO CCOC(=O)[C@H](C)[C@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000549934142 315111348 /nfs/dbraw/zinc/11/13/48/315111348.db2.gz XYOLQQFJRFGUDD-ZJUUUORDSA-N 1 0 348.321 3.291 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC(C)(C)[C@H]2CCC[C@H]21 ZINC000550073729 315115467 /nfs/dbraw/zinc/11/54/67/315115467.db2.gz WUUOTQIIIRTRKS-UONOGXRCSA-N 1 0 331.416 3.352 20 5 EGBDRO CCCC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCC[C@H](C)C1 ZINC000550379836 315126478 /nfs/dbraw/zinc/12/64/78/315126478.db2.gz FJYUIXNPSXFAAB-JKSUJKDBSA-N 1 0 335.448 3.437 20 5 EGBDRO Cc1ccccc1C[C@H](C)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000554527575 315328061 /nfs/dbraw/zinc/32/80/61/315328061.db2.gz YORRYNVHGPMMAE-HNNXBMFYSA-N 1 0 341.411 3.453 20 5 EGBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCCC(F)(F)F ZINC000563746295 316064113 /nfs/dbraw/zinc/06/41/13/316064113.db2.gz FOMUDAXVOLBOGX-SNVBAGLBSA-N 1 0 333.310 3.244 20 5 EGBDRO C[C@H](C(=O)N(C)C(C)(C)C[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000565763808 316366610 /nfs/dbraw/zinc/36/66/10/316366610.db2.gz YTYOXAUHZUOGOH-AWEZNQCLSA-N 1 0 333.432 3.031 20 5 EGBDRO O=C(CC[NH2+]C1CC(c2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000567345875 316603429 /nfs/dbraw/zinc/60/34/29/316603429.db2.gz XNHKAIPEMPLRHV-UHFFFAOYSA-N 1 0 339.395 3.459 20 5 EGBDRO Cc1cccc(OCC[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000570514461 317067083 /nfs/dbraw/zinc/06/70/83/317067083.db2.gz JKWZHRQMFVHYHF-IAGOWNOFSA-N 1 0 344.415 3.252 20 5 EGBDRO COC(=O)[C@H](Cc1ccccc1)[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000570831505 317114735 /nfs/dbraw/zinc/11/47/35/317114735.db2.gz MHFFEKUOONGISL-KBXCAEBGSA-N 1 0 342.395 3.105 20 5 EGBDRO Cc1c(F)cccc1NC(=O)CC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000571125544 317153445 /nfs/dbraw/zinc/15/34/45/317153445.db2.gz MSRMZSVGSHIVKJ-UHFFFAOYSA-N 1 0 345.374 3.203 20 5 EGBDRO C[C@@H]1C[C@@H](N[C@@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)CC[N@@H+]1C ZINC000571171708 317161446 /nfs/dbraw/zinc/16/14/46/317161446.db2.gz URKNIHABDDWZDL-OSMZGAPFSA-N 1 0 331.338 3.271 20 5 EGBDRO CCCC[N@H+](C)C[C@H](C)Nc1ncc(Br)cc1[N+](=O)[O-] ZINC000571196401 317165307 /nfs/dbraw/zinc/16/53/07/317165307.db2.gz ORPFQSKRGOKKEW-JTQLQIEISA-N 1 0 345.241 3.285 20 5 EGBDRO CC(C)c1ccc(C[NH2+][C@@H]2CCN(C(C)(C)C)C2=O)cc1[N+](=O)[O-] ZINC000572157321 317299331 /nfs/dbraw/zinc/29/93/31/317299331.db2.gz PGDLGZLPAVORKQ-OAHLLOKOSA-N 1 0 333.432 3.207 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H](O)COc1ccccc1)CCC2 ZINC000574266568 317578726 /nfs/dbraw/zinc/57/87/26/317578726.db2.gz MCYSAUQFPAJXAZ-VQIMIIECSA-N 1 0 342.395 3.002 20 5 EGBDRO C[C@H]([NH2+][C@@H]1CCC[C@H](N2CCCC2=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000574466187 317601385 /nfs/dbraw/zinc/60/13/85/317601385.db2.gz UMPHYJNCXVTOOH-LXZKKBNFSA-N 1 0 331.416 3.179 20 5 EGBDRO C[C@H](C(=O)NCCCCC[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000574736602 317630746 /nfs/dbraw/zinc/63/07/46/317630746.db2.gz POHKWRMAEJUVPU-INIZCTEOSA-N 1 0 347.459 3.471 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)c1 ZINC000172790526 323290269 /nfs/dbraw/zinc/29/02/69/323290269.db2.gz NIDFFCOPWKPNBM-GOSISDBHSA-N 1 0 347.459 3.390 20 5 EGBDRO NC(=O)C[C@@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])C1CCCCC1 ZINC000181988002 323517864 /nfs/dbraw/zinc/51/78/64/323517864.db2.gz LCYKEAPZKPGIKY-CQSZACIVSA-N 1 0 339.823 3.162 20 5 EGBDRO CCc1ccc([C@H](COC)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)o1 ZINC000184803333 323676669 /nfs/dbraw/zinc/67/66/69/323676669.db2.gz MYMRODXPZGDARC-INIZCTEOSA-N 1 0 334.372 3.106 20 5 EGBDRO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2ccc(Br)o2)cc1 ZINC000393510484 324290495 /nfs/dbraw/zinc/29/04/95/324290495.db2.gz BQGFZVQPPCWQHQ-UHFFFAOYSA-N 1 0 341.161 3.119 20 5 EGBDRO Cc1cc(Br)cc([N+](=O)[O-])c1OCC[C@@H]1CC[NH2+]C1 ZINC000396667040 324293692 /nfs/dbraw/zinc/29/36/92/324293692.db2.gz WONKNVMLZUBFQQ-JTQLQIEISA-N 1 0 329.194 3.044 20 5 EGBDRO Cn1ccnc1[C@@H]([NH2+]CC1CC(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000578747538 325012265 /nfs/dbraw/zinc/01/22/65/325012265.db2.gz FITLZMDBBCBJCO-INIZCTEOSA-N 1 0 328.416 3.444 20 5 EGBDRO CO[C@@]1(C)C[C@H]([N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1(C)C ZINC000579551114 325124791 /nfs/dbraw/zinc/12/47/91/325124791.db2.gz CDAYNVSDGWPGPC-YOEHRIQHSA-N 1 0 332.404 3.107 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](N[C@H]2CCN(C3CC3)C2)C(F)(F)F)cc1 ZINC000580439972 325251547 /nfs/dbraw/zinc/25/15/47/325251547.db2.gz ZFIQAEXXUCYQSU-FZMZJTMJSA-N 1 0 329.322 3.025 20 5 EGBDRO CCC(CC)Nc1cc[nH+]cc1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000580484678 325256072 /nfs/dbraw/zinc/25/60/72/325256072.db2.gz XQFRIINUDLOQPX-UHFFFAOYSA-N 1 0 342.399 3.193 20 5 EGBDRO CC[N@@H+]1CC[C@@H](CN[C@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)C1 ZINC000580956274 325313738 /nfs/dbraw/zinc/31/37/38/325313738.db2.gz PIAVYQAXTKBWEI-SMDDNHRTSA-N 1 0 331.338 3.130 20 5 EGBDRO CCC[N@H+](CC)C[C@H](C)Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000581282476 325348362 /nfs/dbraw/zinc/34/83/62/325348362.db2.gz DORPINZMBDHQPX-LBPRGKRZSA-N 1 0 334.420 3.012 20 5 EGBDRO C[C@@H](C(=O)N(CC[NH+](C)C)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000582882124 325476846 /nfs/dbraw/zinc/47/68/46/325476846.db2.gz NRUCRMOFCLXTDF-OAHLLOKOSA-N 1 0 341.411 3.293 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@]1(O)CCC[C@H](C(F)(F)F)C1 ZINC000189627261 455224126 /nfs/dbraw/zinc/22/41/26/455224126.db2.gz YNNRSRUIKIKMNB-GXTWGEPZSA-N 1 0 332.322 3.168 20 5 EGBDRO Cn1cc(C[NH2+]Cc2ccc(F)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237932625 455236006 /nfs/dbraw/zinc/23/60/06/455236006.db2.gz RILYRERODFPLSQ-UHFFFAOYSA-N 1 0 340.358 3.424 20 5 EGBDRO CC[C@]1([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CCOC1 ZINC000602633597 460033668 /nfs/dbraw/zinc/03/36/68/460033668.db2.gz ZKANMDKMXOJGMJ-NSHDSACASA-N 1 0 335.223 3.078 20 5 EGBDRO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)C[C@@H]1CCCC[C@@H]1O ZINC000181095140 455285719 /nfs/dbraw/zinc/28/57/19/455285719.db2.gz NULDPAMNDRLAFR-FZMZJTMJSA-N 1 0 344.358 3.179 20 5 EGBDRO C[NH+](C)C[C@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000007816505 453121206 /nfs/dbraw/zinc/12/12/06/453121206.db2.gz DLBWNTGFRYYFDS-HNNXBMFYSA-N 1 0 347.802 3.281 20 5 EGBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H]3CCCC[C@@H]3C2)c2c(c1)COCO2 ZINC000016694699 453619428 /nfs/dbraw/zinc/61/94/28/453619428.db2.gz OWNFGBDPRXJRJZ-ZIAGYGMSSA-N 1 0 332.400 3.473 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)CC1CCCCC1 ZINC000029455060 453828969 /nfs/dbraw/zinc/82/89/69/453828969.db2.gz FNZLGFUEDUMGHK-UHFFFAOYSA-N 1 0 335.404 3.054 20 5 EGBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)COc1ccccc1 ZINC000066434490 453844959 /nfs/dbraw/zinc/84/49/59/453844959.db2.gz YWCKAFHMTZLMSK-GOSISDBHSA-N 1 0 344.411 3.245 20 5 EGBDRO Cc1ccc(C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000053404493 453876327 /nfs/dbraw/zinc/87/63/27/453876327.db2.gz PWMZXNUMYWCUHO-ZDUSSCGKSA-N 1 0 333.432 3.144 20 5 EGBDRO CCOC[C@@H]1CC[N@@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000081520804 453882202 /nfs/dbraw/zinc/88/22/02/453882202.db2.gz LQJRYNJKUMKIPE-QWHCGFSZSA-N 1 0 346.387 3.064 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000067031233 453895430 /nfs/dbraw/zinc/89/54/30/453895430.db2.gz PYNOGZZDEMBRAV-UHFFFAOYSA-N 1 0 341.411 3.155 20 5 EGBDRO O=C(NC[C@H]1CCC[N@@H+]1CC1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000067201894 453910584 /nfs/dbraw/zinc/91/05/84/453910584.db2.gz VLKIBCQBXSSCKI-MRXNPFEDSA-N 1 0 345.443 3.369 20 5 EGBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000054226434 453917137 /nfs/dbraw/zinc/91/71/37/453917137.db2.gz IMUWSMSOIJCKLZ-PBHICJAKSA-N 1 0 339.395 3.160 20 5 EGBDRO CCC[N@@H+]1CC[C@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000054806279 453948638 /nfs/dbraw/zinc/94/86/38/453948638.db2.gz JIWQRNTUZQCEIU-LLVKDONJSA-N 1 0 340.811 3.102 20 5 EGBDRO CN(C(=O)C[N@H+](C)[C@H]1CCc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000042635287 454017124 /nfs/dbraw/zinc/01/71/24/454017124.db2.gz IAGHCISTHOONSZ-SFHVURJKSA-N 1 0 339.395 3.177 20 5 EGBDRO O=[N+]([O-])c1ccc2nc(N3CC[NH+](C4CCCC4)CC3)ccc2c1 ZINC000076650575 454021851 /nfs/dbraw/zinc/02/18/51/454021851.db2.gz PVQSVMATGGCJLR-UHFFFAOYSA-N 1 0 326.400 3.208 20 5 EGBDRO CCc1ccc([C@@H]([NH2+]C[C@@H]2CCOC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000612407722 460623422 /nfs/dbraw/zinc/62/34/22/460623422.db2.gz WBTRSABNNDTYGD-UGSOOPFHSA-N 1 0 330.384 3.466 20 5 EGBDRO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(F)c1 ZINC000056196941 454043198 /nfs/dbraw/zinc/04/31/98/454043198.db2.gz GEGZNZVIOROEMG-VXGBXAGGSA-N 1 0 331.347 3.412 20 5 EGBDRO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)NC1CCC(C)CC1 ZINC000056195919 454043456 /nfs/dbraw/zinc/04/34/56/454043456.db2.gz LAJRTUBEVUTDQY-MYMJJRTCSA-N 1 0 333.432 3.329 20 5 EGBDRO C[NH+](C)Cc1ccccc1NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000056930747 454090658 /nfs/dbraw/zinc/09/06/58/454090658.db2.gz DNNKDGSQJPMZCO-UHFFFAOYSA-N 1 0 338.367 3.390 20 5 EGBDRO CC[NH+](CC)[C@H](CNC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000069689936 454132954 /nfs/dbraw/zinc/13/29/54/454132954.db2.gz XFFBSBPMUXDDGT-GOSISDBHSA-N 1 0 341.411 3.408 20 5 EGBDRO CC(=O)NCCc1ccc([C@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])cc1 ZINC000089511954 454157207 /nfs/dbraw/zinc/15/72/07/454157207.db2.gz COBHSJYKQKUHPF-AWEZNQCLSA-N 1 0 341.411 3.124 20 5 EGBDRO Cn1cc(C[C@H]2CC[N@H+](Cc3c(Cl)cccc3[N+](=O)[O-])C2)cn1 ZINC000119270897 454182500 /nfs/dbraw/zinc/18/25/00/454182500.db2.gz ATJDQBFHQLIPNA-GFCCVEGCSA-N 1 0 334.807 3.046 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000094123249 454186847 /nfs/dbraw/zinc/18/68/47/454186847.db2.gz OOVUDCIJNDVGHX-HNNXBMFYSA-N 1 0 345.443 3.267 20 5 EGBDRO NC(=O)CCN(Cc1ccccc1)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000119386115 454192364 /nfs/dbraw/zinc/19/23/64/454192364.db2.gz QAQNFGQGFZTPBJ-UHFFFAOYSA-N 1 0 347.802 3.126 20 5 EGBDRO Cc1c(C(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)cccc1[N+](=O)[O-] ZINC000058429516 454203826 /nfs/dbraw/zinc/20/38/26/454203826.db2.gz HFWMUJWDENHDNP-UHFFFAOYSA-N 1 0 333.432 3.096 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C1CCN(C2CC2)CC1)C1CC1 ZINC000119648492 454210366 /nfs/dbraw/zinc/21/03/66/454210366.db2.gz AEAVNCBPPONIFA-SFHVURJKSA-N 1 0 329.444 3.132 20 5 EGBDRO COc1ccc(C[N@H+](C)CCOc2cccc([N+](=O)[O-])c2)c(OC)c1 ZINC000046055533 454212229 /nfs/dbraw/zinc/21/22/29/454212229.db2.gz PNRXAIIORSDHHQ-UHFFFAOYSA-N 1 0 346.383 3.123 20 5 EGBDRO COc1ccc(C[N@H+](C)CCOc2cccc([N+](=O)[O-])c2)cc1OC ZINC000046055514 454212283 /nfs/dbraw/zinc/21/22/83/454212283.db2.gz HKRRLTZXOJHQNM-UHFFFAOYSA-N 1 0 346.383 3.123 20 5 EGBDRO C[NH+]1CCC(Nc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000058851331 454237021 /nfs/dbraw/zinc/23/70/21/454237021.db2.gz FALLUMGRMYIFPN-UHFFFAOYSA-N 1 0 339.395 3.332 20 5 EGBDRO O=C(CC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)Nc1ccc(F)cc1 ZINC000131267312 454243230 /nfs/dbraw/zinc/24/32/30/454243230.db2.gz WKHSGAZKZXVQFP-UHFFFAOYSA-N 1 0 343.358 3.121 20 5 EGBDRO CC[C@H]([NH2+][C@H](C)C(=O)N1CCC(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000090068724 454270989 /nfs/dbraw/zinc/27/09/89/454270989.db2.gz UKNJSONUDYEWPX-PBHICJAKSA-N 1 0 333.432 3.283 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1CCC(C)(C)C[C@@H]1C ZINC000120803234 454350183 /nfs/dbraw/zinc/35/01/83/454350183.db2.gz LDWKBQMWFAECSY-GXTWGEPZSA-N 1 0 349.431 3.346 20 5 EGBDRO CC(C)(C)CNC(=O)C(C)(C)[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000121298393 454417999 /nfs/dbraw/zinc/41/79/99/454417999.db2.gz XUGLBQQCKFZYCD-UHFFFAOYSA-N 1 0 341.839 3.279 20 5 EGBDRO CCC[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000097257771 454430036 /nfs/dbraw/zinc/43/00/36/454430036.db2.gz HHYZYAHQBLVMAB-LLVKDONJSA-N 1 0 340.811 3.102 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000091937805 454491384 /nfs/dbraw/zinc/49/13/84/454491384.db2.gz DRUOIMSRXFPRKE-HZPDHXFCSA-N 1 0 345.443 3.076 20 5 EGBDRO C[C@H](NC(=O)NCCC[N@@H+]1CCCC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000079891141 454494985 /nfs/dbraw/zinc/49/49/85/454494985.db2.gz HTAQIGHJOBBGMI-CABCVRRESA-N 1 0 348.447 3.220 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)Cc1ccsc1 ZINC000122340423 454525032 /nfs/dbraw/zinc/52/50/32/454525032.db2.gz IJWUGNGPCNHPEA-UHFFFAOYSA-N 1 0 333.413 3.425 20 5 EGBDRO Cc1cc(C(=O)NCCCC[N@H+]2CCCC[C@H]2C)cc([N+](=O)[O-])c1 ZINC000122481088 454537176 /nfs/dbraw/zinc/53/71/76/454537176.db2.gz SGJNAISDRLLSLQ-OAHLLOKOSA-N 1 0 333.432 3.288 20 5 EGBDRO COCC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000065208589 454537690 /nfs/dbraw/zinc/53/76/90/454537690.db2.gz PSTQAACLXXPHLL-UHFFFAOYSA-N 1 0 330.384 3.122 20 5 EGBDRO CCc1ccc([C@@H](COC)[NH2+]CCOc2ccccc2[N+](=O)[O-])o1 ZINC000184827795 455455431 /nfs/dbraw/zinc/45/54/31/455455431.db2.gz AFUHXPOBFIZLQS-CQSZACIVSA-N 1 0 334.372 3.106 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCOc1ncccc1C(F)(F)F ZINC000122885998 454578211 /nfs/dbraw/zinc/57/82/11/454578211.db2.gz IJCTUIZYUMRDFL-UHFFFAOYSA-N 1 0 341.289 3.177 20 5 EGBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000092669097 454606167 /nfs/dbraw/zinc/60/61/67/454606167.db2.gz PBMFDZKCNRGZOY-YPMHNXCESA-N 1 0 341.358 3.259 20 5 EGBDRO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000051051107 454606654 /nfs/dbraw/zinc/60/66/54/454606654.db2.gz OBCSFCSFDKJMIO-HOCLYGCPSA-N 1 0 333.432 3.112 20 5 EGBDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)c1ccc([N+](=O)[O-])cn1 ZINC000092696073 454613055 /nfs/dbraw/zinc/61/30/55/454613055.db2.gz KZXOXWLTNSPGER-UHFFFAOYSA-N 1 0 341.415 3.128 20 5 EGBDRO COCC[N@H+](CCOc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000051376114 454621597 /nfs/dbraw/zinc/62/15/97/454621597.db2.gz DBQSCDAOXFGUEA-UHFFFAOYSA-N 1 0 330.384 3.122 20 5 EGBDRO CC(C)[C@@H](CNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000105159826 454626416 /nfs/dbraw/zinc/62/64/16/454626416.db2.gz DYDITAFZPSEFQJ-RHSMWYFYSA-N 1 0 348.447 3.075 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000092759089 454627921 /nfs/dbraw/zinc/62/79/21/454627921.db2.gz RDSWNLREQCKECW-JKSUJKDBSA-N 1 0 345.443 3.076 20 5 EGBDRO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccc([N+](=O)[O-])o1 ZINC000052167163 454657078 /nfs/dbraw/zinc/65/70/78/454657078.db2.gz XKMMFUMLRGBOEY-UHFFFAOYSA-N 1 0 343.383 3.104 20 5 EGBDRO Cn1cc(C[N@@H+]2CCSC(C)(C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093504274 454719218 /nfs/dbraw/zinc/71/92/18/454719218.db2.gz VPYMHECTHMSTNI-UHFFFAOYSA-N 1 0 346.456 3.323 20 5 EGBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000152865120 454735681 /nfs/dbraw/zinc/73/56/81/454735681.db2.gz UGUSMMHSVRWPLY-KGLIPLIRSA-N 1 0 333.432 3.128 20 5 EGBDRO Cn1ncc2c1CCC[C@H]2[N@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000093863782 454739940 /nfs/dbraw/zinc/73/99/40/454739940.db2.gz FFEGKISHWJLMEU-DBWMJRBXSA-N 1 0 326.400 3.351 20 5 EGBDRO CC[C@H]([NH2+]C[C@H](O)COc1cccc(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000152921580 454741527 /nfs/dbraw/zinc/74/15/27/454741527.db2.gz OEBGUSBLUJVGAL-HKUYNNGSSA-N 1 0 344.411 3.384 20 5 EGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000163032208 454818607 /nfs/dbraw/zinc/81/86/07/454818607.db2.gz GTZVNCFJIDRWBD-DDUZABMNSA-N 1 0 343.427 3.131 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@H](O)C1CCCCC1)C1CC1 ZINC000163081446 454821697 /nfs/dbraw/zinc/82/16/97/454821697.db2.gz BDYHMUASBUPNEO-HKUYNNGSSA-N 1 0 332.444 3.447 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000163123067 454824467 /nfs/dbraw/zinc/82/44/67/454824467.db2.gz RDBCJUMXUIEFOT-CQSZACIVSA-N 1 0 334.420 3.241 20 5 EGBDRO O=C(c1ccccc1[N+](=O)[O-])N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000153957361 454851329 /nfs/dbraw/zinc/85/13/29/454851329.db2.gz BTSMVESEBYKRDN-UHFFFAOYSA-N 1 0 345.443 3.323 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCCNc1ccccn1)C1CC1 ZINC000163788900 454864823 /nfs/dbraw/zinc/86/48/23/454864823.db2.gz IGUOCUOBKXMOLF-QGZVFWFLSA-N 1 0 340.427 3.403 20 5 EGBDRO Cc1nc2cc(NC(=O)Cc3cccc([N+](=O)[O-])c3C)ccc2n1C ZINC000126432756 454893204 /nfs/dbraw/zinc/89/32/04/454893204.db2.gz UENQPHCYSRRHNH-UHFFFAOYSA-N 1 0 338.367 3.280 20 5 EGBDRO CC[C@@H]([NH2+]CC1(C(=O)N(C)C)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000165128581 454895364 /nfs/dbraw/zinc/89/53/64/454895364.db2.gz MIYVFNUMIMFPRR-MRXNPFEDSA-N 1 0 333.432 3.284 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H](c2ccccc2)c2ccccn2)c1 ZINC000154477875 454900355 /nfs/dbraw/zinc/90/03/55/454900355.db2.gz DNDOONGGQGWURY-WOJBJXKFSA-N 1 0 349.390 3.402 20 5 EGBDRO Cn1c(CC[NH2+]Cc2csc([N+](=O)[O-])c2)nc2c1cccc2F ZINC000113359074 454924276 /nfs/dbraw/zinc/92/42/76/454924276.db2.gz AFLMYZUKKKQICB-UHFFFAOYSA-N 1 0 334.376 3.014 20 5 EGBDRO C[NH+](C)C[C@H]1CCN(Cc2cc(=O)oc3ccc4ccccc4c23)C1 ZINC000114479759 454957037 /nfs/dbraw/zinc/95/70/37/454957037.db2.gz IGOVPODMRSQGGL-OAHLLOKOSA-N 1 0 336.435 3.330 20 5 EGBDRO COc1ccc([C@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000178569322 454962082 /nfs/dbraw/zinc/96/20/82/454962082.db2.gz LZNVPGSDKUHGGR-RBUKOAKNSA-N 1 0 342.395 3.378 20 5 EGBDRO Cc1nccn1C[C@@H](C)C[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000178708219 454967731 /nfs/dbraw/zinc/96/77/31/454967731.db2.gz ZXNNEAZOQDYPKY-LSDHHAIUSA-N 1 0 330.432 3.347 20 5 EGBDRO CN(C[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)C(=O)OC(C)(C)C ZINC000170917606 454998640 /nfs/dbraw/zinc/99/86/40/454998640.db2.gz XCWREZXMMPQWOP-OAHLLOKOSA-N 1 0 349.431 3.284 20 5 EGBDRO Cc1c(NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)cccc1[N+](=O)[O-] ZINC000116477080 455058219 /nfs/dbraw/zinc/05/82/19/455058219.db2.gz VXUKKHBPJNPFIM-HNNXBMFYSA-N 1 0 336.436 3.391 20 5 EGBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000129230567 455102837 /nfs/dbraw/zinc/10/28/37/455102837.db2.gz SKUOJMVZJBWTBL-SNVBAGLBSA-N 1 0 347.337 3.074 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCS[C@@H](C)[C@@H]1C ZINC000118419406 455105781 /nfs/dbraw/zinc/10/57/81/455105781.db2.gz XIFFKVSOWDWCHY-STQMWFEESA-N 1 0 337.445 3.058 20 5 EGBDRO CCN(CC)C(=O)C1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000118847146 455115155 /nfs/dbraw/zinc/11/51/55/455115155.db2.gz BHGDSYFMUFMZOQ-UHFFFAOYSA-N 1 0 333.432 3.256 20 5 EGBDRO O=[N+]([O-])c1c(F)cccc1NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000180046692 455121938 /nfs/dbraw/zinc/12/19/38/455121938.db2.gz PYVWYWZOZUPXEZ-UHFFFAOYSA-N 1 0 330.363 3.457 20 5 EGBDRO C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000119067383 455123399 /nfs/dbraw/zinc/12/33/99/455123399.db2.gz GKVHTMHDUSPSIW-KGLIPLIRSA-N 1 0 346.431 3.369 20 5 EGBDRO C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000119067023 455123523 /nfs/dbraw/zinc/12/35/23/455123523.db2.gz GKVHTMHDUSPSIW-UONOGXRCSA-N 1 0 346.431 3.369 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[NH2+]C2CCN(CCC(F)(F)F)CC2)cc1 ZINC000180163880 455143198 /nfs/dbraw/zinc/14/31/98/455143198.db2.gz AOVRIMRQFVDZQZ-UHFFFAOYSA-N 1 0 345.365 3.144 20 5 EGBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000172602707 455164112 /nfs/dbraw/zinc/16/41/12/455164112.db2.gz ZPONADMPCYLFEN-RISCZKNCSA-N 1 0 347.440 3.222 20 5 EGBDRO CCc1ccc(NC(=O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000180423532 455167018 /nfs/dbraw/zinc/16/70/18/455167018.db2.gz BAXVYJWOSPOQBJ-ZDUSSCGKSA-N 1 0 327.384 3.447 20 5 EGBDRO C[N@@H+](Cc1cc(F)c(F)c(F)c1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000180485266 455179740 /nfs/dbraw/zinc/17/97/40/455179740.db2.gz NZRIUTOTTWITBL-HNNXBMFYSA-N 1 0 340.301 3.178 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCC[C@H]3C3CCC3)n2)cc1 ZINC000264014920 455183391 /nfs/dbraw/zinc/18/33/91/455183391.db2.gz UFDKQGDNYDIWPE-HNNXBMFYSA-N 1 0 328.372 3.409 20 5 EGBDRO Cc1ccc(C[NH2+]CC2CCN(CC(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC000189473034 455202743 /nfs/dbraw/zinc/20/27/43/455202743.db2.gz TZZZKQYOUUSPAQ-UHFFFAOYSA-N 1 0 345.365 3.267 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@@H](O)c1cccc(F)c1)C1CC1 ZINC000157594237 455211333 /nfs/dbraw/zinc/21/13/33/455211333.db2.gz HKNGPWFRKZQCRV-PKOBYXMFSA-N 1 0 344.386 3.378 20 5 EGBDRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000173411135 455279389 /nfs/dbraw/zinc/27/93/89/455279389.db2.gz HWKAPNHOSRGQPF-TZMCWYRMSA-N 1 0 335.404 3.255 20 5 EGBDRO CCCC[N@H+](C)CC1CCN(C(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000264869140 455295113 /nfs/dbraw/zinc/29/51/13/455295113.db2.gz GIUXFJGIBBZIPG-UHFFFAOYSA-N 1 0 347.459 3.487 20 5 EGBDRO C[C@H]1CSCC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000190411449 455310805 /nfs/dbraw/zinc/31/08/05/455310805.db2.gz HJZSOUJDZNOUMD-GFCCVEGCSA-N 1 0 333.413 3.435 20 5 EGBDRO CC1([C@@H]2CCC[N@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)C2)OCCO1 ZINC000183863851 455334092 /nfs/dbraw/zinc/33/40/92/455334092.db2.gz XDIGYZFPKSVHRO-CYBMUJFWSA-N 1 0 340.807 3.223 20 5 EGBDRO CCC[C@@H](NC[C@@H](O)C[NH+]1CCC(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000158937853 455338878 /nfs/dbraw/zinc/33/88/78/455338878.db2.gz KIVKAFADOIDNGN-RTBURBONSA-N 1 0 349.475 3.118 20 5 EGBDRO COc1ccc(OCC[NH2+][C@H](C)c2cccc(O)c2)c([N+](=O)[O-])c1 ZINC000181518262 455347836 /nfs/dbraw/zinc/34/78/36/455347836.db2.gz SHZPDNYTEOSCBE-GFCCVEGCSA-N 1 0 332.356 3.039 20 5 EGBDRO CCC(CC)[N@H+](CCOC)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000184198877 455361058 /nfs/dbraw/zinc/36/10/58/455361058.db2.gz WDJFBJCYAJWOOY-UHFFFAOYSA-N 1 0 328.384 3.380 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)N[C@H]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000245913482 455398733 /nfs/dbraw/zinc/39/87/33/455398733.db2.gz WAMLREUQFHGCEB-INWMFGNUSA-N 1 0 333.432 3.249 20 5 EGBDRO Nc1c(F)c(NC[C@@H](c2ccco2)[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000266850868 455462055 /nfs/dbraw/zinc/46/20/55/455462055.db2.gz KZMNPNAQAVWRPL-ZDUSSCGKSA-N 1 0 334.351 3.158 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)cc1 ZINC000182319729 455487727 /nfs/dbraw/zinc/48/77/27/455487727.db2.gz GNCJCRHSYZQCMK-AWEZNQCLSA-N 1 0 339.395 3.143 20 5 EGBDRO C[C@H](CNC(=O)c1cccc(Cl)c1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000175877116 455510009 /nfs/dbraw/zinc/51/00/09/455510009.db2.gz AJFISAXZEJDOGO-GFCCVEGCSA-N 1 0 339.823 3.098 20 5 EGBDRO O=C1O[C@@H](C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC12CCC2 ZINC000192138823 455562903 /nfs/dbraw/zinc/56/29/03/455562903.db2.gz BSNDSUNWSPLVTC-MRXNPFEDSA-N 1 0 330.384 3.045 20 5 EGBDRO CCCNC(=O)[C@@H]1CCC[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000182717899 455574689 /nfs/dbraw/zinc/57/46/89/455574689.db2.gz QENMQLDPZBOTEP-LSDHHAIUSA-N 1 0 333.432 3.202 20 5 EGBDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601027340 460680417 /nfs/dbraw/zinc/68/04/17/460680417.db2.gz WNKORFICVKAYLO-CYBMUJFWSA-N 1 0 337.395 3.118 20 5 EGBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185694395 455598766 /nfs/dbraw/zinc/59/87/66/455598766.db2.gz WRWMVJQZFFWTNS-NVXWUHKLSA-N 1 0 331.460 3.380 20 5 EGBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000268141376 455600068 /nfs/dbraw/zinc/60/00/68/455600068.db2.gz DMAAFMLOWVMNFI-HZMBPMFUSA-N 1 0 345.424 3.022 20 5 EGBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1Nc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000271344976 455604980 /nfs/dbraw/zinc/60/49/80/455604980.db2.gz NBEBQTUYKNSCEP-CABZTGNLSA-N 1 0 327.331 3.091 20 5 EGBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000292267843 455613767 /nfs/dbraw/zinc/61/37/67/455613767.db2.gz LJBJJBSPCUEBGH-CYBMUJFWSA-N 1 0 331.416 3.108 20 5 EGBDRO C[C@H]1C[N@H+](CCCNc2ccc([N+](=O)[O-])c3cnccc23)CCCO1 ZINC000277830935 455680387 /nfs/dbraw/zinc/68/03/87/455680387.db2.gz ZKPJHGFXPFQPFM-AWEZNQCLSA-N 1 0 344.415 3.056 20 5 EGBDRO O=[N+]([O-])c1ccc(NCC2CC[NH+](C3CC3)CC2)c2ccncc21 ZINC000277986885 455726518 /nfs/dbraw/zinc/72/65/18/455726518.db2.gz WJAWSLAVJCEWSG-UHFFFAOYSA-N 1 0 326.400 3.429 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H]1CCCO[C@@H]1CC(C)C ZINC000186309253 455739675 /nfs/dbraw/zinc/73/96/75/455739675.db2.gz MBSVQTUIPUORTN-NVXWUHKLSA-N 1 0 349.431 3.025 20 5 EGBDRO CCn1cnnc1[C@@H]1CCC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000249854911 455779965 /nfs/dbraw/zinc/77/99/65/455779965.db2.gz CYYWEMGIFKEZES-UKRRQHHQSA-N 1 0 329.404 3.147 20 5 EGBDRO Cc1nc(NCc2ccc(C[NH+]3CCCCC3)cc2)ncc1[N+](=O)[O-] ZINC000296488230 455953130 /nfs/dbraw/zinc/95/31/30/455953130.db2.gz KWKBFRKGRYXEKE-UHFFFAOYSA-N 1 0 341.415 3.291 20 5 EGBDRO CCS[C@H]1CCC[C@@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000286261453 456012110 /nfs/dbraw/zinc/01/21/10/456012110.db2.gz SRYCVKPFWWKRME-ZFWWWQNUSA-N 1 0 337.445 3.187 20 5 EGBDRO Cc1cc(Cl)c(C(=O)NCC2(C)CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000296721453 456019245 /nfs/dbraw/zinc/01/92/45/456019245.db2.gz HNTCOCXQPFSQCM-UHFFFAOYSA-N 1 0 339.823 3.018 20 5 EGBDRO CCN(C)[C@H](C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1)c1ccccc1 ZINC000272823456 456081230 /nfs/dbraw/zinc/08/12/30/456081230.db2.gz PPRXFLDTUYJHSS-KRWDZBQOSA-N 1 0 343.383 3.235 20 5 EGBDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000332525384 456086412 /nfs/dbraw/zinc/08/64/12/456086412.db2.gz UXBTUBUNUUOQIR-CQSZACIVSA-N 1 0 348.447 3.040 20 5 EGBDRO CC(=O)NC1CCC(Nc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000272856386 456092604 /nfs/dbraw/zinc/09/26/04/456092604.db2.gz PRNWXYMXNIGBNU-UHFFFAOYSA-N 1 0 342.399 3.311 20 5 EGBDRO O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000281032602 456114955 /nfs/dbraw/zinc/11/49/55/456114955.db2.gz QMMXEJCTAFTWDE-OAHLLOKOSA-N 1 0 331.416 3.122 20 5 EGBDRO Cc1cnc(NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000301455323 456120096 /nfs/dbraw/zinc/12/00/96/456120096.db2.gz RQOOOLCJRYNQNZ-CQSZACIVSA-N 1 0 326.400 3.157 20 5 EGBDRO Cc1cnc(NCC2([NH+]3CCSCC3)CCCC2)c([N+](=O)[O-])c1 ZINC000301453854 456120208 /nfs/dbraw/zinc/12/02/08/456120208.db2.gz RJCSCBWAMUZPGE-UHFFFAOYSA-N 1 0 336.461 3.072 20 5 EGBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CCCc3c2cnn3C)cc1[N+](=O)[O-] ZINC000271115464 456130777 /nfs/dbraw/zinc/13/07/77/456130777.db2.gz IGISUGUXSVCJSG-WFASDCNBSA-N 1 0 344.415 3.455 20 5 EGBDRO CC(C)C[C@H](CNc1ncc([N+](=O)[O-])cc1Br)[NH+](C)C ZINC000301509083 456132731 /nfs/dbraw/zinc/13/27/31/456132731.db2.gz CKNJCGSDQSPSCR-SNVBAGLBSA-N 1 0 345.241 3.141 20 5 EGBDRO CC[N@@H+]1CCCC[C@@H]1CNc1ccc(C(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000301573148 456150190 /nfs/dbraw/zinc/15/01/90/456150190.db2.gz YTIUDDXMQUSYLI-OAHLLOKOSA-N 1 0 348.447 3.019 20 5 EGBDRO Cc1nc(N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000301647457 456173139 /nfs/dbraw/zinc/17/31/39/456173139.db2.gz IJUYVYUFUHWMBO-OAHLLOKOSA-N 1 0 340.427 3.399 20 5 EGBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000273207620 456214772 /nfs/dbraw/zinc/21/47/72/456214772.db2.gz AWDIVWOTTPTHHI-LLVKDONJSA-N 1 0 339.823 3.051 20 5 EGBDRO C[NH+](C)[C@@H]1CCC[C@H](Nc2c(Br)cncc2[N+](=O)[O-])C1 ZINC000301907106 456247722 /nfs/dbraw/zinc/24/77/22/456247722.db2.gz ZPCKGPNIVQEGLL-VHSXEESVSA-N 1 0 343.225 3.037 20 5 EGBDRO Cc1cc(N(C)C[C@H]2CCCC[C@H]2O)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302094558 456286036 /nfs/dbraw/zinc/28/60/36/456286036.db2.gz RGWWKUJKXYWPBV-FZKQIMNGSA-N 1 0 329.400 3.439 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCN(c2cncc(F)c2)CC1 ZINC000352780508 456299494 /nfs/dbraw/zinc/29/94/94/456299494.db2.gz VAKPRUUCQXLONU-AWEZNQCLSA-N 1 0 344.390 3.321 20 5 EGBDRO COC(=O)N1CCC(Nc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000302166499 456304701 /nfs/dbraw/zinc/30/47/01/456304701.db2.gz KYGONDNSEKJJKC-UHFFFAOYSA-N 1 0 344.371 3.094 20 5 EGBDRO CCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2OC(F)F)CC1 ZINC000302164050 456305574 /nfs/dbraw/zinc/30/55/74/456305574.db2.gz QKPMXFRZBJTCSJ-UHFFFAOYSA-N 1 0 329.347 3.483 20 5 EGBDRO CC(C)(O)C[N@@H+]1CCc2c(cccc2Nc2ccccc2[N+](=O)[O-])C1 ZINC000302172256 456306256 /nfs/dbraw/zinc/30/62/56/456306256.db2.gz QDWJMMUMCLNUEE-UHFFFAOYSA-N 1 0 341.411 3.467 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000601136880 460726788 /nfs/dbraw/zinc/72/67/88/460726788.db2.gz ZTRHKGBACNFWPZ-SJORKVTESA-N 1 0 334.322 3.493 20 5 EGBDRO CC(C)c1ccc(C(=O)N2CCC[N@@H+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000275807498 456319417 /nfs/dbraw/zinc/31/94/17/456319417.db2.gz HIMOAWVMUNCCFW-UHFFFAOYSA-N 1 0 333.432 3.275 20 5 EGBDRO Cc1cc(N2CCC([NH2+][C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)CC2)n[nH]1 ZINC000275983734 456363679 /nfs/dbraw/zinc/36/36/79/456363679.db2.gz YOFXBFDCZRUEDK-AWEZNQCLSA-N 1 0 343.431 3.254 20 5 EGBDRO CS[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C[C@@H]1[NH+](C)C ZINC000347795347 456371932 /nfs/dbraw/zinc/37/19/32/456371932.db2.gz URPMZUYVDRBLAV-QWHCGFSZSA-N 1 0 349.378 3.095 20 5 EGBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(F)c2ccccc21 ZINC000340307272 456376167 /nfs/dbraw/zinc/37/61/67/456376167.db2.gz SKRXTPWQXMFKDM-LBPRGKRZSA-N 1 0 328.347 3.434 20 5 EGBDRO COc1cc(C[NH2+]C[C@H]2CC2(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000352899721 456399649 /nfs/dbraw/zinc/39/96/49/456399649.db2.gz HXQCYUVGVSWQEU-LLVKDONJSA-N 1 0 344.358 3.383 20 5 EGBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000290720506 456414050 /nfs/dbraw/zinc/41/40/50/456414050.db2.gz XQELOAKWRFDSSG-LLVKDONJSA-N 1 0 327.812 3.098 20 5 EGBDRO C[N@@H+]1CC[C@@H]2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)[C@@H]2C1 ZINC000352985824 456428828 /nfs/dbraw/zinc/42/88/28/456428828.db2.gz LLLRZEDGVBWMFJ-RDTXWAMCSA-N 1 0 341.411 3.381 20 5 EGBDRO C[C@H](CN1CCCC1=O)[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290973965 456483556 /nfs/dbraw/zinc/48/35/56/456483556.db2.gz XUTNZWCGAVIEAY-SECBINFHSA-N 1 0 346.214 3.002 20 5 EGBDRO CC[N@@H+]1CCC[C@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000337688054 456481413 /nfs/dbraw/zinc/48/14/13/456481413.db2.gz RNKQDFOQRHWSGI-LLVKDONJSA-N 1 0 340.811 3.102 20 5 EGBDRO CCC[C@@](C)(CO)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000304233245 456501796 /nfs/dbraw/zinc/50/17/96/456501796.db2.gz JHPLGQNIZMNELI-INIZCTEOSA-N 1 0 335.429 3.359 20 5 EGBDRO Cc1ccc(C[NH2+]Cc2ccc(C[S@@](C)=O)cc2)cc1[N+](=O)[O-] ZINC000353143589 456519375 /nfs/dbraw/zinc/51/93/75/456519375.db2.gz UHWHXSCAEBGOFI-HSZRJFAPSA-N 1 0 332.425 3.072 20 5 EGBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000298874694 456560349 /nfs/dbraw/zinc/56/03/49/456560349.db2.gz SGVPBUNGBDRYFH-UHFFFAOYSA-N 1 0 339.395 3.121 20 5 EGBDRO C[C@@H]1C[C@@H]1[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1ccc(Cl)cc1 ZINC000343400643 456593934 /nfs/dbraw/zinc/59/39/34/456593934.db2.gz IFBLMXKKVXSZFC-RIEGTJTDSA-N 1 0 334.807 3.469 20 5 EGBDRO C[C@H]1[C@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CCC[N@@H+]1C ZINC000343425500 456612594 /nfs/dbraw/zinc/61/25/94/456612594.db2.gz DIXASZFRUZUPIZ-GXFFZTMASA-N 1 0 333.413 3.022 20 5 EGBDRO CC(C)([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1cccs1 ZINC000348308599 456613761 /nfs/dbraw/zinc/61/37/61/456613761.db2.gz OSFMWBVARPOKSG-UHFFFAOYSA-N 1 0 345.424 3.070 20 5 EGBDRO CCC[NH+]1CCC(N(C)Cc2ccc([N+](=O)[O-])c(OCC)c2)CC1 ZINC000276895888 456614142 /nfs/dbraw/zinc/61/41/42/456614142.db2.gz KWWHKBOQYKLVQP-UHFFFAOYSA-N 1 0 335.448 3.300 20 5 EGBDRO CC[C@H]1[C@@H](C)CC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000299186818 456629416 /nfs/dbraw/zinc/62/94/16/456629416.db2.gz BZTMQULDDWTQRR-WFASDCNBSA-N 1 0 335.404 3.052 20 5 EGBDRO CCOc1cc(C[NH+]2CCC(c3cc(C)n[nH]3)CC2)ccc1[N+](=O)[O-] ZINC000276960363 456631610 /nfs/dbraw/zinc/63/16/10/456631610.db2.gz VKSABZBJEHMKPN-UHFFFAOYSA-N 1 0 344.415 3.405 20 5 EGBDRO C[C@@H](NC(=O)CC[C@@H]([NH3+])c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000324761486 456672566 /nfs/dbraw/zinc/67/25/66/456672566.db2.gz UKPBCSQDGHGTPB-CXAGYDPISA-N 1 0 327.384 3.252 20 5 EGBDRO Cn1cc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c(C(C)(C)C)n1 ZINC000282982696 456681738 /nfs/dbraw/zinc/68/17/38/456681738.db2.gz JJTFWNKEPFNHOZ-UHFFFAOYSA-N 1 0 330.432 3.300 20 5 EGBDRO COc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000299452748 456698840 /nfs/dbraw/zinc/69/88/40/456698840.db2.gz ZTXUJCALROPAIN-QWHCGFSZSA-N 1 0 343.383 3.281 20 5 EGBDRO Cc1c(C[NH+]2CCC(Oc3ccccn3)CC2)cccc1[N+](=O)[O-] ZINC000348487418 456711827 /nfs/dbraw/zinc/71/18/27/456711827.db2.gz YUXSGKMPODCJJN-UHFFFAOYSA-N 1 0 327.384 3.342 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[NH+]2CCC(Oc3ccccn3)CC2)cc1 ZINC000348515359 456726063 /nfs/dbraw/zinc/72/60/63/456726063.db2.gz XSNHACWWLMEIQI-UHFFFAOYSA-N 1 0 327.384 3.076 20 5 EGBDRO Cc1cc(NCc2cnn3ccccc23)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000343608749 456739585 /nfs/dbraw/zinc/73/95/85/456739585.db2.gz LKGFYSGYTJSSBX-UHFFFAOYSA-N 1 0 333.351 3.133 20 5 EGBDRO C[C@H](NCc1ccc([N+](=O)[O-])c(F)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000283278367 456749974 /nfs/dbraw/zinc/74/99/74/456749974.db2.gz WZQAONPYUPQOFK-DZGCQCFKSA-N 1 0 335.423 3.477 20 5 EGBDRO CC1(C)CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1cccnc1 ZINC000291834391 456772668 /nfs/dbraw/zinc/77/26/68/456772668.db2.gz DHXSEXQSKLRZNL-DLBZAZTESA-N 1 0 327.384 3.106 20 5 EGBDRO C[C@H](c1cccnc1)[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000299730560 456776689 /nfs/dbraw/zinc/77/66/89/456776689.db2.gz WVVKHIJQBRWAEW-CYBMUJFWSA-N 1 0 328.372 3.011 20 5 EGBDRO CC(C)[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@H]1CCOC1 ZINC000291866410 456782606 /nfs/dbraw/zinc/78/26/06/456782606.db2.gz PNNSXFRXGJMZQB-INIZCTEOSA-N 1 0 345.399 3.292 20 5 EGBDRO C[C@@H]1CC[C@H](C[NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C1 ZINC000353592023 456788613 /nfs/dbraw/zinc/78/86/13/456788613.db2.gz ZHQQYDMZKJKTDG-JKIFEVAISA-N 1 0 328.416 3.444 20 5 EGBDRO CC[N@H+](CCCO)Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000353667734 456842412 /nfs/dbraw/zinc/84/24/12/456842412.db2.gz VNQZJEVXIUUPJM-UHFFFAOYSA-N 1 0 334.372 3.068 20 5 EGBDRO COc1cc(C[NH2+]CC2(C)CC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000344693525 456848481 /nfs/dbraw/zinc/84/84/81/456848481.db2.gz KYNOHBHRRDTZSY-UHFFFAOYSA-N 1 0 348.321 3.434 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(CN3C[C@H]4CCC[NH2+][C@@H]4C3)o2)cc1 ZINC000353688363 456855425 /nfs/dbraw/zinc/85/54/25/456855425.db2.gz OFEVFFHXTPQCSQ-RHSMWYFYSA-N 1 0 327.384 3.039 20 5 EGBDRO COc1ccc(-c2ccc(C[NH+]3CCC(C)(O)CC3)o2)c([N+](=O)[O-])c1 ZINC000353702627 456862041 /nfs/dbraw/zinc/86/20/41/456862041.db2.gz JQCLRHKWRIMRFN-UHFFFAOYSA-N 1 0 346.383 3.210 20 5 EGBDRO C[C@@H](CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)[N@@H+]1CCCC[C@@H]1C ZINC000339004322 456894975 /nfs/dbraw/zinc/89/49/75/456894975.db2.gz RDZLRNTVMOXHPK-STQMWFEESA-N 1 0 346.431 3.154 20 5 EGBDRO CC(C)(C)[C@@H]1NC(=O)CC[C@@H]1[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000353798125 456911532 /nfs/dbraw/zinc/91/15/32/456911532.db2.gz UGIUSUGTTKJSMG-SOLBZPMBSA-N 1 0 345.443 3.255 20 5 EGBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000339062145 456922623 /nfs/dbraw/zinc/92/26/23/456922623.db2.gz YDDMVPKZZBXLRV-WDEREUQCSA-N 1 0 331.338 3.138 20 5 EGBDRO COCCC[N@H+](Cc1ccncc1)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000349297321 456935330 /nfs/dbraw/zinc/93/53/30/456935330.db2.gz MYYROPNMAQEBDC-UHFFFAOYSA-N 1 0 329.400 3.337 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC1([C@H](C)CCO)CCC1 ZINC000345147107 456942243 /nfs/dbraw/zinc/94/22/43/456942243.db2.gz VDYGGZLKAJIJRO-CQSZACIVSA-N 1 0 336.432 3.272 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC000353903810 456959484 /nfs/dbraw/zinc/95/94/84/456959484.db2.gz HUZCRZUZEGMQGH-QWHCGFSZSA-N 1 0 334.420 3.104 20 5 EGBDRO COc1ccc(-c2ccc(C[N@@H+]3CC[C@H](C)[C@@H](O)C3)o2)c([N+](=O)[O-])c1 ZINC000349407266 456963068 /nfs/dbraw/zinc/96/30/68/456963068.db2.gz NDLGYEWLDILTOZ-SJCJKPOMSA-N 1 0 346.383 3.066 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000353920676 456965801 /nfs/dbraw/zinc/96/58/01/456965801.db2.gz DVIRGNVKRSWETF-CQSZACIVSA-N 1 0 346.431 3.107 20 5 EGBDRO CC(C)(C)[NH+]1CCC(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000341891975 456989512 /nfs/dbraw/zinc/98/95/12/456989512.db2.gz FDGXDKRXOBUDQS-UHFFFAOYSA-N 1 0 345.399 3.334 20 5 EGBDRO C[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)N1Cc2ccccc2C1 ZINC000359045517 457049089 /nfs/dbraw/zinc/04/90/89/457049089.db2.gz IOZPVACIFGPLRB-KBPBESRZSA-N 1 0 339.395 3.176 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CC[C@H](CC4CC4)C3)n2)c1 ZINC000339676612 457206717 /nfs/dbraw/zinc/20/67/17/457206717.db2.gz WLJSIOAMKFBMLF-CYBMUJFWSA-N 1 0 328.372 3.267 20 5 EGBDRO CN(C)c1ccc(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)cn1 ZINC000360089774 457248860 /nfs/dbraw/zinc/24/88/60/457248860.db2.gz VZEWAYDHDJFAKH-QGZVFWFLSA-N 1 0 340.427 3.167 20 5 EGBDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1ccnn1-c1ccc(F)cc1 ZINC000354482900 457252058 /nfs/dbraw/zinc/25/20/58/457252058.db2.gz VJDIPRIOHKEXSV-UHFFFAOYSA-N 1 0 340.358 3.252 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000331855493 457262071 /nfs/dbraw/zinc/26/20/71/457262071.db2.gz FGEAVKAYNWYKLY-RNJTYBCJSA-N 1 0 348.443 3.365 20 5 EGBDRO Cc1cc(C(=O)N[C@@H](C)C[N@H+](C)Cc2ccccc2)cc([N+](=O)[O-])c1 ZINC000342373398 457263803 /nfs/dbraw/zinc/26/38/03/457263803.db2.gz MFLQATJINILJIY-HNNXBMFYSA-N 1 0 341.411 3.154 20 5 EGBDRO C[C@H]1CCCC[C@H]1C[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000354641857 457292026 /nfs/dbraw/zinc/29/20/26/457292026.db2.gz GOPFMKCSDBGZRM-HOTGVXAUSA-N 1 0 345.443 3.179 20 5 EGBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H](c2cccs2)C2CC2)c1 ZINC000342486466 457330376 /nfs/dbraw/zinc/33/03/76/457330376.db2.gz ZCWQNSIYYYGEPS-RHSMWYFYSA-N 1 0 348.424 3.137 20 5 EGBDRO C[N@@H+]1CC[C@@H]2CCN(c3ccc([N+](=O)[O-])c(C(F)(F)F)c3)[C@@H]2C1 ZINC000352085013 457337726 /nfs/dbraw/zinc/33/77/26/457337726.db2.gz XABUGXFFBHBGPN-QMTHXVAHSA-N 1 0 329.322 3.144 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000360884516 457406870 /nfs/dbraw/zinc/40/68/70/457406870.db2.gz RTLVQTJKWGTWAQ-QGZVFWFLSA-N 1 0 340.427 3.399 20 5 EGBDRO C[NH+](C)CCCC1CCN(c2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000347452737 457438844 /nfs/dbraw/zinc/43/88/44/457438844.db2.gz RKKVOOFJKCGFMB-UHFFFAOYSA-N 1 0 343.431 3.096 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(O[C@H]2CCOC2)CC1 ZINC000352546420 457455817 /nfs/dbraw/zinc/45/58/17/457455817.db2.gz UYKVVSLQCKCBKW-YOEHRIQHSA-N 1 0 334.416 3.234 20 5 EGBDRO COc1ccc([C@@H](OC)[C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000357350545 457466408 /nfs/dbraw/zinc/46/64/08/457466408.db2.gz JRASOBSAXRXXEF-UGSOOPFHSA-N 1 0 330.384 3.469 20 5 EGBDRO CCC[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000347509726 457474599 /nfs/dbraw/zinc/47/45/99/457474599.db2.gz AVKNACGQHWSWLW-HKUYNNGSSA-N 1 0 344.411 3.466 20 5 EGBDRO C[C@@H](O)C[N@H+](C)Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000361018082 457516220 /nfs/dbraw/zinc/51/62/20/457516220.db2.gz QDMQMTGUNFCWJY-CQSZACIVSA-N 1 0 329.400 3.175 20 5 EGBDRO COc1ccc(C[N@@H+]2CC3(CCC3)[C@H]2C2CCOCC2)cc1[N+](=O)[O-] ZINC000425370053 457525151 /nfs/dbraw/zinc/52/51/51/457525151.db2.gz IPAJUXPNZSVGEP-GOSISDBHSA-N 1 0 346.427 3.385 20 5 EGBDRO CNc1c(C(=O)NCC2([NH+](C)C)CCCCCC2)cccc1[N+](=O)[O-] ZINC000361147570 457613470 /nfs/dbraw/zinc/61/34/70/457613470.db2.gz UBYQLFUWNINTHE-UHFFFAOYSA-N 1 0 348.447 3.021 20 5 EGBDRO C=Cc1ccc(CC[NH2+]Cc2cc(OC)c(O)cc2[N+](=O)[O-])cc1 ZINC000361147910 457613929 /nfs/dbraw/zinc/61/39/29/457613929.db2.gz YCUFZCHQDGMOHV-UHFFFAOYSA-N 1 0 328.368 3.284 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000374410076 457616630 /nfs/dbraw/zinc/61/66/30/457616630.db2.gz GEMRGMGZHYIBMJ-CABCVRRESA-N 1 0 334.416 3.240 20 5 EGBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000357808775 457697631 /nfs/dbraw/zinc/69/76/31/457697631.db2.gz BOTHLCWXGJGMFB-UONOGXRCSA-N 1 0 336.436 3.075 20 5 EGBDRO CC(C)O[C@@H]1C[C@H]([NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000361544463 457784953 /nfs/dbraw/zinc/78/49/53/457784953.db2.gz DWRQPIVBLYUJLL-UHOFOFEASA-N 1 0 349.431 3.104 20 5 EGBDRO CC[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000411150098 457814482 /nfs/dbraw/zinc/81/44/82/457814482.db2.gz VFHUHXASCCXFMN-CYBMUJFWSA-N 1 0 335.404 3.197 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CC[C@@H]([C@@H]4CCOC4)C3)co2)cc1 ZINC000371187323 457820973 /nfs/dbraw/zinc/82/09/73/457820973.db2.gz BIALIJJHXKHYDF-HUUCEWRRSA-N 1 0 343.383 3.108 20 5 EGBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000426506290 457846218 /nfs/dbraw/zinc/84/62/18/457846218.db2.gz DPIXOTWLIVCKDE-LBPRGKRZSA-N 1 0 341.839 3.027 20 5 EGBDRO COCC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1CCC[C@@H]1C ZINC000444696187 457944021 /nfs/dbraw/zinc/94/40/21/457944021.db2.gz VDOCKFBYLIFLPW-LRDDRELGSA-N 1 0 332.404 3.108 20 5 EGBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)N(C)c1ccccc1 ZINC000411771837 457976623 /nfs/dbraw/zinc/97/66/23/457976623.db2.gz PFUCMNOFOOCMBB-UONOGXRCSA-N 1 0 327.384 3.297 20 5 EGBDRO COc1cc(C(=O)Nc2ccc(C[NH+](C)C)c(C)c2)ccc1[N+](=O)[O-] ZINC000458283801 458000411 /nfs/dbraw/zinc/00/04/11/458000411.db2.gz MNEHESPAULMRDN-UHFFFAOYSA-N 1 0 343.383 3.226 20 5 EGBDRO COc1cc(C[NH2+][C@@H]2CCCC[C@H]2n2cccn2)ccc1[N+](=O)[O-] ZINC000362022185 458010539 /nfs/dbraw/zinc/01/05/39/458010539.db2.gz FNGRWMVYXJNNHX-HUUCEWRRSA-N 1 0 330.388 3.073 20 5 EGBDRO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1(C)C ZINC000362328904 458107700 /nfs/dbraw/zinc/10/77/00/458107700.db2.gz XAPWKXKOKCHQPI-HZPDHXFCSA-N 1 0 340.395 3.378 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](CC(F)(F)F)C(C)C ZINC000445889040 458112029 /nfs/dbraw/zinc/11/20/29/458112029.db2.gz YXGPZGGWLQDIFZ-ZDUSSCGKSA-N 1 0 347.337 3.408 20 5 EGBDRO C[C@@H]1C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H](C)[C@@H](C)O1 ZINC000446077231 458142275 /nfs/dbraw/zinc/14/22/75/458142275.db2.gz DHNRLQWCWCXSNJ-HZSPNIEDSA-N 1 0 345.399 3.290 20 5 EGBDRO CCc1cccc(OCC[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000369491323 458236344 /nfs/dbraw/zinc/23/63/44/458236344.db2.gz RBKKADJRWZOQDQ-UHFFFAOYSA-N 1 0 344.415 3.070 20 5 EGBDRO CCOc1cc(CN2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000429021219 458258301 /nfs/dbraw/zinc/25/83/01/458258301.db2.gz OFMOMNPHYYALFW-RVKKMQEKSA-N 1 0 347.459 3.156 20 5 EGBDRO Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)cc1[N+](=O)[O-] ZINC000436233764 458274295 /nfs/dbraw/zinc/27/42/95/458274295.db2.gz UGLFOYCHEXHPLF-QGZVFWFLSA-N 1 0 345.443 3.430 20 5 EGBDRO C[N@H+](CCCCNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000459152380 458277281 /nfs/dbraw/zinc/27/72/81/458277281.db2.gz IQTBBSUQAHQODI-UHFFFAOYSA-N 1 0 348.447 3.004 20 5 EGBDRO Cc1ccccc1OCC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447532548 458307124 /nfs/dbraw/zinc/30/71/24/458307124.db2.gz URZZXACISDVYTD-CVEARBPZSA-N 1 0 344.415 3.252 20 5 EGBDRO Cc1cccnc1OC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000429715300 458361795 /nfs/dbraw/zinc/36/17/95/458361795.db2.gz ZODBWTKKIWKUPP-UHFFFAOYSA-N 1 0 327.384 3.342 20 5 EGBDRO C[C@@H]1CC[C@@H]([N@H+](CCO)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000429765185 458367589 /nfs/dbraw/zinc/36/75/89/458367589.db2.gz AIMLQTKUTJCSAR-CXAGYDPISA-N 1 0 345.399 3.233 20 5 EGBDRO CC(C)[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])C1(CO)CCCC1 ZINC000459524068 458400213 /nfs/dbraw/zinc/40/02/13/458400213.db2.gz HJQKWUPVFHDLCO-KRWDZBQOSA-N 1 0 336.432 3.141 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000430203831 458420488 /nfs/dbraw/zinc/42/04/88/458420488.db2.gz JIMQKENLQYTJEQ-RVKKMQEKSA-N 1 0 347.459 3.441 20 5 EGBDRO COCC[N@H+](CCc1ccccc1)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430220237 458422983 /nfs/dbraw/zinc/42/29/83/458422983.db2.gz OZLYPIPBAIKQFT-UHFFFAOYSA-N 1 0 344.411 3.295 20 5 EGBDRO O=[N+]([O-])c1ccn(C2CC[NH+](CCCOc3ccc(F)cc3)CC2)n1 ZINC000373228226 458436632 /nfs/dbraw/zinc/43/66/32/458436632.db2.gz LPPDLEZKDGIKBR-UHFFFAOYSA-N 1 0 348.378 3.036 20 5 EGBDRO C[C@@H]([N@H+](C)CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C1(C)CC1 ZINC000437539604 458464114 /nfs/dbraw/zinc/46/41/14/458464114.db2.gz TXVNDLNQUBPXNQ-GFCCVEGCSA-N 1 0 333.388 3.013 20 5 EGBDRO CCC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C1CCC1 ZINC000459769387 458474517 /nfs/dbraw/zinc/47/45/17/458474517.db2.gz BUHLEPBFWPLIAO-WFASDCNBSA-N 1 0 349.431 3.489 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000459773255 458474578 /nfs/dbraw/zinc/47/45/78/458474578.db2.gz UXXRBCYOUPCNQV-OIAIWYTBSA-N 1 0 330.428 3.481 20 5 EGBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000430737390 458486335 /nfs/dbraw/zinc/48/63/35/458486335.db2.gz WWQOIJBEWBYDBG-RYUDHWBXSA-N 1 0 341.358 3.337 20 5 EGBDRO [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423835816 458494616 /nfs/dbraw/zinc/49/46/16/458494616.db2.gz DXHZQOQWVCKEML-DZGCQCFKSA-N 1 0 339.823 3.162 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000437848208 458501714 /nfs/dbraw/zinc/50/17/14/458501714.db2.gz DDKZDSDVOJLYNB-KRWDZBQOSA-N 1 0 345.443 3.430 20 5 EGBDRO CCC[N@H+](CC)CCNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437995918 458520569 /nfs/dbraw/zinc/52/05/69/458520569.db2.gz RYGOMAPDVMEHQD-UHFFFAOYSA-N 1 0 348.447 3.001 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1cn2ccccc2n1 ZINC000468632009 458529822 /nfs/dbraw/zinc/52/98/22/458529822.db2.gz UOEZVTYVGZMUAQ-RVDMUPIBSA-N 1 0 336.395 3.478 20 5 EGBDRO Cc1cc(N2CC[C@H](C[NH+](C)C)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461937163 458580362 /nfs/dbraw/zinc/58/03/62/458580362.db2.gz PMQXHHRHOWWBRO-LLVKDONJSA-N 1 0 331.338 3.310 20 5 EGBDRO CCCN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CC[NH2+]C1 ZINC000470020935 458607940 /nfs/dbraw/zinc/60/79/40/458607940.db2.gz NWPAYYJYKNPFTR-INIZCTEOSA-N 1 0 329.400 3.429 20 5 EGBDRO CCCN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CC[NH2+]C1 ZINC000470020936 458608022 /nfs/dbraw/zinc/60/80/22/458608022.db2.gz NWPAYYJYKNPFTR-MRXNPFEDSA-N 1 0 329.400 3.429 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1C[C@H](C)O[C@@]2(CCCOC2)C1 ZINC000373810408 458609368 /nfs/dbraw/zinc/60/93/68/458609368.db2.gz LUBOQPSZPJYHEB-MPGHIAIKSA-N 1 0 334.416 3.234 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000470178873 458621036 /nfs/dbraw/zinc/62/10/36/458621036.db2.gz PBRWEVTZYYSFOF-ZOHQOTHLSA-N 1 0 334.441 3.204 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000470179017 458621214 /nfs/dbraw/zinc/62/12/14/458621214.db2.gz RDYALZYMKDJVMY-QIPHDZALSA-N 1 0 329.444 3.416 20 5 EGBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC000462607153 458634469 /nfs/dbraw/zinc/63/44/69/458634469.db2.gz NJTBZJFSVLGPHY-YQQAZPJKSA-N 1 0 347.459 3.105 20 5 EGBDRO Cc1cc(C[NH3+])cc(NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000424430391 458642056 /nfs/dbraw/zinc/64/20/56/458642056.db2.gz BTLZBLSVJPFRJD-UHFFFAOYSA-N 1 0 342.399 3.419 20 5 EGBDRO O=[N+]([O-])c1ccc(OCC[N@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@@H]2O)cc1 ZINC000463210367 458682608 /nfs/dbraw/zinc/68/26/08/458682608.db2.gz BAWGLJVHJPQVPT-OTWHNJEPSA-N 1 0 348.443 3.379 20 5 EGBDRO C[NH+]1CCC([C@H]2CCN(c3ccnc4c3cccc4[N+](=O)[O-])C2)CC1 ZINC000432320989 458715128 /nfs/dbraw/zinc/71/51/28/458715128.db2.gz CMXYNDXQOWJSSQ-HNNXBMFYSA-N 1 0 340.427 3.311 20 5 EGBDRO O=[N+]([O-])c1cnn(CC[N@H+]2Cc3ccccc3[C@@H](c3ccccc3)C2)c1 ZINC000471714394 458717009 /nfs/dbraw/zinc/71/70/09/458717009.db2.gz POYVTSALSYCLPI-HXUWFJFHSA-N 1 0 348.406 3.439 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000463954651 458726307 /nfs/dbraw/zinc/72/63/07/458726307.db2.gz MFBGHEFLYGWNGF-WFASDCNBSA-N 1 0 348.447 3.454 20 5 EGBDRO CC[NH+]1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000503961777 458733344 /nfs/dbraw/zinc/73/33/44/458733344.db2.gz IDNBMGLNZVRSNP-UHFFFAOYSA-N 1 0 331.441 3.461 20 5 EGBDRO C[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000471813925 458736822 /nfs/dbraw/zinc/73/68/22/458736822.db2.gz ZQEDNCABRWVQSP-WMLDXEAASA-N 1 0 341.411 3.318 20 5 EGBDRO Cc1ccc([C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)cc1[N+](=O)[O-] ZINC000440262406 458798504 /nfs/dbraw/zinc/79/85/04/458798504.db2.gz WYEYEHPZPAZFKH-WMLDXEAASA-N 1 0 345.443 3.487 20 5 EGBDRO C[C@H]1C[N@H+](CCCNc2ccc([N+](=O)[O-])cc2Cl)CCCO1 ZINC000432858166 458802038 /nfs/dbraw/zinc/80/20/38/458802038.db2.gz HVJSFFRDWCMMKN-LBPRGKRZSA-N 1 0 327.812 3.161 20 5 EGBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000457080144 458857575 /nfs/dbraw/zinc/85/75/75/458857575.db2.gz CEYIVWXZYZEWEG-AEFFLSMTSA-N 1 0 347.459 3.105 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000531014716 458859804 /nfs/dbraw/zinc/85/98/04/458859804.db2.gz KVRMSTIECJTVDL-AWEZNQCLSA-N 1 0 334.420 3.063 20 5 EGBDRO COC(=O)N1CCC[C@H]([C@@H](C)[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000495509954 458871113 /nfs/dbraw/zinc/87/11/13/458871113.db2.gz FSIPMSVRBRJNRC-IRHPPKKSSA-N 1 0 347.415 3.065 20 5 EGBDRO Cc1ccccc1-n1nccc1C[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000474891951 458905422 /nfs/dbraw/zinc/90/54/22/458905422.db2.gz GLFCTKLEMMMJCH-UHFFFAOYSA-N 1 0 336.395 3.421 20 5 EGBDRO CCC(C)(C)[C@@H]1CCC[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000441642312 458965226 /nfs/dbraw/zinc/96/52/26/458965226.db2.gz GPSOJKNDGZIKGT-KRWDZBQOSA-N 1 0 345.443 3.385 20 5 EGBDRO COc1ccc(NC(=O)CC[N@H+](C2CC2)C2CCCC2)c([N+](=O)[O-])c1 ZINC000577041713 458968273 /nfs/dbraw/zinc/96/82/73/458968273.db2.gz UEENKKQWCFLTNQ-UHFFFAOYSA-N 1 0 347.415 3.339 20 5 EGBDRO COCC(=O)Nc1cccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000531943964 459005218 /nfs/dbraw/zinc/00/52/18/459005218.db2.gz LTVNULHOYBINFS-CYBMUJFWSA-N 1 0 343.383 3.031 20 5 EGBDRO C[C@@H](C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000519798366 459007185 /nfs/dbraw/zinc/00/71/85/459007185.db2.gz SGVGWEGFLIUXEW-WBVHZDCISA-N 1 0 345.443 3.175 20 5 EGBDRO C[C@]12C[N@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000519802283 459007195 /nfs/dbraw/zinc/00/71/95/459007195.db2.gz TZGUVYIAWRLEJR-SKTNGFFKSA-N 1 0 344.411 3.329 20 5 EGBDRO Cc1ccccc1[C@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000531988062 459012370 /nfs/dbraw/zinc/01/23/70/459012370.db2.gz JAZCXTXFUGGQDP-HNNXBMFYSA-N 1 0 326.400 3.181 20 5 EGBDRO C[C@H]1[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CCOC1(C)C ZINC000477694715 459053971 /nfs/dbraw/zinc/05/39/71/459053971.db2.gz QGFQXSZVJOKUPM-CYBMUJFWSA-N 1 0 345.399 3.292 20 5 EGBDRO C[C@@H]([NH2+]C[C@](C)(CO)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000477861591 459063958 /nfs/dbraw/zinc/06/39/58/459063958.db2.gz NSBPYCSZZNPWBR-DNVCBOLYSA-N 1 0 328.412 3.487 20 5 EGBDRO CO[C@@H](C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])Cc1ccccc1 ZINC000594506238 459067035 /nfs/dbraw/zinc/06/70/35/459067035.db2.gz NPRZQJACRCBFQG-QAPCUYQASA-N 1 0 326.396 3.429 20 5 EGBDRO O=[N+]([O-])c1ccn(CC[N@H+](CCc2ccc(Cl)cc2)CC2CC2)n1 ZINC000478049848 459075214 /nfs/dbraw/zinc/07/52/14/459075214.db2.gz XXLCHWRPVKXLSX-UHFFFAOYSA-N 1 0 348.834 3.399 20 5 EGBDRO Cc1ccc(CC[NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)o1 ZINC000532449726 459089702 /nfs/dbraw/zinc/08/97/02/459089702.db2.gz DRRBHBIXTNOQKO-LBPRGKRZSA-N 1 0 331.372 3.046 20 5 EGBDRO CCC(C)(C)[NH+]1CCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000594592488 459102059 /nfs/dbraw/zinc/10/20/59/459102059.db2.gz XRJBQYRZOQKXSU-UHFFFAOYSA-N 1 0 346.353 3.319 20 5 EGBDRO CN1CCO[C@H](CSc2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000521230654 459133689 /nfs/dbraw/zinc/13/36/89/459133689.db2.gz LLEGLAKZHZLCHM-VIFPVBQESA-N 1 0 337.228 3.324 20 5 EGBDRO C[C@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc(NC(N)=O)cc1 ZINC000578026356 459135020 /nfs/dbraw/zinc/13/50/20/459135020.db2.gz QNXUJSBPNSBPMH-MEDUHNTESA-N 1 0 340.383 3.424 20 5 EGBDRO C[C@@H]1CCN(CC[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000532801696 459148783 /nfs/dbraw/zinc/14/87/83/459148783.db2.gz GQKITJSUUUZPFL-JFIYKMOQSA-N 1 0 331.460 3.237 20 5 EGBDRO CC(C)[C@@H](Cn1cccn1)[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000522018861 459205824 /nfs/dbraw/zinc/20/58/24/459205824.db2.gz IJVXLKLNXMZDBS-GOSISDBHSA-N 1 0 330.432 3.428 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1ccc(NC(C)=O)cc1 ZINC000595003261 459211571 /nfs/dbraw/zinc/21/15/71/459211571.db2.gz DZGSVLLOPXZAKX-GFCCVEGCSA-N 1 0 343.383 3.413 20 5 EGBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H](C)C(F)(F)F ZINC000480669305 459211994 /nfs/dbraw/zinc/21/19/94/459211994.db2.gz KEQSKMYWYGGTPZ-NXEZZACHSA-N 1 0 333.310 3.100 20 5 EGBDRO CC[NH+](CC)Cc1ccc(-c2nc(-c3ccc([N+](=O)[O-])o3)no2)o1 ZINC000590778845 459214062 /nfs/dbraw/zinc/21/40/62/459214062.db2.gz DEYFZUORYCBPEU-UHFFFAOYSA-N 1 0 332.316 3.340 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000595009703 459214519 /nfs/dbraw/zinc/21/45/19/459214519.db2.gz CXNOUDRERYLRBS-HUUCEWRRSA-N 1 0 335.448 3.374 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H]1COc2ccccc21 ZINC000595053343 459229648 /nfs/dbraw/zinc/22/96/48/459229648.db2.gz XOMGFHLJWMZDND-OLZOCXBDSA-N 1 0 328.368 3.430 20 5 EGBDRO COc1ccc(NC(=O)C[N@@H+]2CC(C)(C)[C@H]3CCC[C@H]32)c([N+](=O)[O-])c1 ZINC000559424510 459259112 /nfs/dbraw/zinc/25/91/12/459259112.db2.gz BVYVXQLFPLFQQW-DZGCQCFKSA-N 1 0 347.415 3.052 20 5 EGBDRO CC[C@@H](CC(F)F)C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000595292481 459268649 /nfs/dbraw/zinc/26/86/49/459268649.db2.gz YXZOGZDBJHASLL-ZDUSSCGKSA-N 1 0 327.375 3.398 20 5 EGBDRO Cc1noc(C[NH+]2CCC(c3c[nH]c4ncccc34)CC2)c1[N+](=O)[O-] ZINC000595370899 459285517 /nfs/dbraw/zinc/28/55/17/459285517.db2.gz LKLVTEDXOWGBSS-UHFFFAOYSA-N 1 0 341.371 3.147 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](C2CCC2)C1 ZINC000591061823 459302682 /nfs/dbraw/zinc/30/26/82/459302682.db2.gz JYXDIMVTXABXOF-HNNXBMFYSA-N 1 0 331.416 3.354 20 5 EGBDRO C[C@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000523527985 459311854 /nfs/dbraw/zinc/31/18/54/459311854.db2.gz CMCVBIYFOAWCTM-HUUCEWRRSA-N 1 0 347.459 3.109 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC[C@@H]1[C@@H](C)CO ZINC000595672324 459390855 /nfs/dbraw/zinc/39/08/55/459390855.db2.gz HRLQUSGSPGDDLJ-WMLDXEAASA-N 1 0 336.432 3.365 20 5 EGBDRO CCC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000524892786 459402246 /nfs/dbraw/zinc/40/22/46/459402246.db2.gz NAXVGPNXQCBYFQ-RCCFBDPRSA-N 1 0 348.443 3.499 20 5 EGBDRO COC(=O)[C@@H]1CCCC[C@]1(C)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000541119978 459429375 /nfs/dbraw/zinc/42/93/75/459429375.db2.gz NILYQVHHRBYJTN-BBRMVZONSA-N 1 0 340.807 3.460 20 5 EGBDRO O=[N+]([O-])c1ccc(OCC[NH+]2CCC([C@@H]3CCCCO3)CC2)cc1 ZINC000595789299 459441096 /nfs/dbraw/zinc/44/10/96/459441096.db2.gz QNCHXVCZNAXONR-SFHVURJKSA-N 1 0 334.416 3.255 20 5 EGBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@H](C2CCCCC2)C1 ZINC000595881144 459471455 /nfs/dbraw/zinc/47/14/55/459471455.db2.gz QSQGJCYXQLLFPR-INIZCTEOSA-N 1 0 333.432 3.049 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000595900353 459480618 /nfs/dbraw/zinc/48/06/18/459480618.db2.gz CYVUYKNKNAABHA-CQSZACIVSA-N 1 0 337.851 3.460 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](CO)C1CCCCC1 ZINC000541980081 459516968 /nfs/dbraw/zinc/51/69/68/459516968.db2.gz BRMNWUDUTIZOTG-QGZVFWFLSA-N 1 0 336.432 3.413 20 5 EGBDRO C[C@H](Cc1ccsc1)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000542155443 459529366 /nfs/dbraw/zinc/52/93/66/459529366.db2.gz OSEPAKWBRCDQRY-TZMCWYRMSA-N 1 0 332.429 3.169 20 5 EGBDRO C[NH+](C)[C@@]1(CNc2ccc(C(F)F)cc2[N+](=O)[O-])CCSC1 ZINC000596148830 459537002 /nfs/dbraw/zinc/53/70/02/459537002.db2.gz GYZJPGJNJFKRJQ-CQSZACIVSA-N 1 0 331.388 3.382 20 5 EGBDRO CCCN(C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C)[C@@H]1CC[N@H+](C)C1 ZINC000592253745 459561404 /nfs/dbraw/zinc/56/14/04/459561404.db2.gz NJMPNPBBQCRFJV-CQSZACIVSA-N 1 0 334.420 3.160 20 5 EGBDRO Cc1cc(NC2CC[NH+](Cc3cccnc3)CC2)c([N+](=O)[O-])s1 ZINC000596211051 459561480 /nfs/dbraw/zinc/56/14/80/459561480.db2.gz OFCMESNGRQTWHM-UHFFFAOYSA-N 1 0 332.429 3.436 20 5 EGBDRO CC[NH+](CC)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1C)CC(C)C ZINC000498053530 459567131 /nfs/dbraw/zinc/56/71/31/459567131.db2.gz GPEKMODCRYNVOE-INIZCTEOSA-N 1 0 335.448 3.390 20 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ZINC000596637962 459708215 /nfs/dbraw/zinc/70/82/15/459708215.db2.gz PVSWFJVTTJVZDQ-CQSZACIVSA-N 1 0 334.420 3.145 20 5 EGBDRO C[NH+](C)CCN(CC1CCCCC1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000501238081 459718424 /nfs/dbraw/zinc/71/84/24/459718424.db2.gz XRFNTRUFGJJPOS-UHFFFAOYSA-N 1 0 347.459 3.108 20 5 EGBDRO CC[C@@H]1CO[C@@H](CC)C[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000593058750 459759014 /nfs/dbraw/zinc/75/90/14/459759014.db2.gz NQVGHZFUKVMISY-ZBFHGGJFSA-N 1 0 349.431 3.121 20 5 EGBDRO CCO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000545456869 459833625 /nfs/dbraw/zinc/83/36/25/459833625.db2.gz YUFSJTJVIOLNPP-LKCYJCQHSA-N 1 0 348.443 3.090 20 5 EGBDRO COc1cc(CN2CCSC[C@@H]2C2CC2)c([N+](=O)[O-])cc1F ZINC000574605832 459839364 /nfs/dbraw/zinc/83/93/64/459839364.db2.gz LXTUIUCFHJOCHM-CQSZACIVSA-N 1 0 326.393 3.070 20 5 EGBDRO Cc1c(NC(=O)[C@@H](C)[NH+]2CCC3(CCC3)CC2)cccc1[N+](=O)[O-] ZINC000586783364 459871981 /nfs/dbraw/zinc/87/19/81/459871981.db2.gz KUFPXDYMRYVINC-CQSZACIVSA-N 1 0 331.416 3.496 20 5 EGBDRO CCOC(=O)[C@]1(C)CCC[C@H]1[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000597238862 459889768 /nfs/dbraw/zinc/88/97/68/459889768.db2.gz JWTSVEADSFFOTH-OWUNDVQQSA-N 1 0 332.400 3.320 20 5 EGBDRO C[NH+](C)CCOc1ccc(CCNc2ccsc2[N+](=O)[O-])cc1 ZINC000609150168 459913675 /nfs/dbraw/zinc/91/36/75/459913675.db2.gz RXXVMDABWVFQHB-UHFFFAOYSA-N 1 0 335.429 3.251 20 5 EGBDRO C[N@@H+](Cc1cc(Br)c([N+](=O)[O-])s1)C[C@@H]1CCCOC1 ZINC000602466717 459953399 /nfs/dbraw/zinc/95/33/99/459953399.db2.gz VMJDXRYFIGVLSZ-VIFPVBQESA-N 1 0 349.250 3.277 20 5 EGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1CCO[C@H](c2ccncc2)C1 ZINC000575329816 459963177 /nfs/dbraw/zinc/96/31/77/459963177.db2.gz RNJMAKLEFIPKNN-FNHZYXHNSA-N 1 0 339.395 3.487 20 5 EGBDRO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)[C@H]1C ZINC000609451130 459964753 /nfs/dbraw/zinc/96/47/53/459964753.db2.gz NBGVKMXDVBIUMK-OSRSDYAFSA-N 1 0 331.416 3.114 20 5 EGBDRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000588810280 459985503 /nfs/dbraw/zinc/98/55/03/459985503.db2.gz OBFKARICPJHJCA-HUUCEWRRSA-N 1 0 333.432 3.105 20 5 EGBDRO COc1ccc2[nH]cc(CC[NH2+]Cc3cccc([N+](=O)[O-])c3)c2c1 ZINC000609600820 459992006 /nfs/dbraw/zinc/99/20/06/459992006.db2.gz XQMUGUHXTXDHOY-UHFFFAOYSA-N 1 0 325.368 3.417 20 5 EGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1CN[C@H]1CC[N@H+](CC2CC2)C1 ZINC000602568944 460000619 /nfs/dbraw/zinc/00/06/19/460000619.db2.gz ZQFKDTUBAGUXGQ-AWEZNQCLSA-N 1 0 343.349 3.188 20 5 EGBDRO C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602569721 460003564 /nfs/dbraw/zinc/00/35/64/460003564.db2.gz RIJNBSBCNAJLSS-QMTHXVAHSA-N 1 0 343.349 3.186 20 5 EGBDRO Cc1ccc(C[NH2+]C[C@H](CO)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000588928729 460007532 /nfs/dbraw/zinc/00/75/32/460007532.db2.gz NHPJJEYOOGIPLZ-OAHLLOKOSA-N 1 0 334.803 3.422 20 5 EGBDRO CCOC(=O)CC[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])CC1CC1 ZINC000609705253 460008736 /nfs/dbraw/zinc/00/87/36/460008736.db2.gz MHEDFKRNSQSGTM-UHFFFAOYSA-N 1 0 340.807 3.413 20 5 EGBDRO C[C@@H]1CCCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)[C@H]1CC[NH3+] ZINC000593914250 460015169 /nfs/dbraw/zinc/01/51/69/460015169.db2.gz BVUPBJZCISHBOU-CJNGLKHVSA-N 1 0 347.459 3.482 20 5 EGBDRO C[C@H]([N@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)C(C)(C)C ZINC000609771034 460015822 /nfs/dbraw/zinc/01/58/22/460015822.db2.gz USFBWTPLZHNNRM-LBPRGKRZSA-N 1 0 335.404 3.259 20 5 EGBDRO O=[N+]([O-])c1sc(C[NH2+][C@H]2CCC[C@H]2CCO)cc1Br ZINC000602626574 460030426 /nfs/dbraw/zinc/03/04/26/460030426.db2.gz ZQUBMZCIGWTZRZ-KWQFWETISA-N 1 0 349.250 3.060 20 5 EGBDRO CC(C)(CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)[NH+]1CCCCC1 ZINC000610059141 460056015 /nfs/dbraw/zinc/05/60/15/460056015.db2.gz JTKKMZFEOAJWIB-UHFFFAOYSA-N 1 0 347.459 3.253 20 5 EGBDRO COCC1(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CCCCC1 ZINC000602668791 460056452 /nfs/dbraw/zinc/05/64/52/460056452.db2.gz WVGXJCQVLKIUSZ-UHFFFAOYSA-N 1 0 333.388 3.423 20 5 EGBDRO COc1cccc2c1CC[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000576056290 460061608 /nfs/dbraw/zinc/06/16/08/460061608.db2.gz NUHOOPUEMSDNJK-OAHLLOKOSA-N 1 0 342.395 3.129 20 5 EGBDRO CO[C@@H]([C@H](C)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)C1CC1 ZINC000602679579 460062375 /nfs/dbraw/zinc/06/23/75/460062375.db2.gz HQVSMSUBLSOHCW-CPCISQLKSA-N 1 0 349.250 3.322 20 5 EGBDRO CCO[C@@H]1CCC[C@H]1[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602686391 460065382 /nfs/dbraw/zinc/06/53/82/460065382.db2.gz QPAQPVBRQZYLMH-GHMZBOCLSA-N 1 0 349.250 3.466 20 5 EGBDRO C[C@H]1SCC[C@H]1[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602704943 460075760 /nfs/dbraw/zinc/07/57/60/460075760.db2.gz XOJQVUFBQDQJPA-HZGVNTEJSA-N 1 0 337.264 3.402 20 5 EGBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000597856040 460080247 /nfs/dbraw/zinc/08/02/47/460080247.db2.gz VLOYEOBZDXYODX-LBPRGKRZSA-N 1 0 345.399 3.191 20 5 EGBDRO O=[N+]([O-])c1sc(C[NH2+]CC[C@H]2CCCCO2)cc1Br ZINC000598895103 460088083 /nfs/dbraw/zinc/08/80/83/460088083.db2.gz SMBXJFLVNQPACU-SECBINFHSA-N 1 0 349.250 3.468 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)c1 ZINC000610281722 460105832 /nfs/dbraw/zinc/10/58/32/460105832.db2.gz CBDAMCYGHRHZQI-INIZCTEOSA-N 1 0 341.411 3.314 20 5 EGBDRO Cc1cc(N2CCC3(CCOC3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000589598540 460107319 /nfs/dbraw/zinc/10/73/19/460107319.db2.gz YTOFJUQJEFLRBR-UHFFFAOYSA-N 1 0 327.384 3.458 20 5 EGBDRO C[C@@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000602756821 460109524 /nfs/dbraw/zinc/10/95/24/460109524.db2.gz REWBJVKZHXZPAG-XJKSGUPXSA-N 1 0 334.420 3.179 20 5 EGBDRO CC(=O)NCC[C@H]1CCC[N@@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000576314071 460113710 /nfs/dbraw/zinc/11/37/10/460113710.db2.gz CVGDFAIRBYYONK-MRXNPFEDSA-N 1 0 347.459 3.456 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H](c2ccccc2)[C@@H](C)C1 ZINC000602782285 460122095 /nfs/dbraw/zinc/12/20/95/460122095.db2.gz LXNZGCRMWVTABD-YOEHRIQHSA-N 1 0 328.416 3.225 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@H](C)C[C@H]1c1ccccc1F ZINC000602785507 460123984 /nfs/dbraw/zinc/12/39/84/460123984.db2.gz UPQIYMXVCWEPLS-WBMJQRKESA-N 1 0 332.379 3.322 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000602820292 460145408 /nfs/dbraw/zinc/14/54/08/460145408.db2.gz JPUAFXMKYQOOQC-UHFFFAOYSA-N 1 0 326.759 3.024 20 5 EGBDRO CN(c1cccnc1[N+](=O)[O-])[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000610431107 460149196 /nfs/dbraw/zinc/14/91/96/460149196.db2.gz YSSFPWFVFKKELA-MRXNPFEDSA-N 1 0 326.400 3.091 20 5 EGBDRO CC[N@@H+]1CC[C@H](N(C)Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H]1C ZINC000610582665 460188275 /nfs/dbraw/zinc/18/82/75/460188275.db2.gz IZCCXGBPURSYLP-OLZOCXBDSA-N 1 0 332.404 3.041 20 5 EGBDRO Cc1ncc([C@@H](C)[NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)s1 ZINC000602955237 460200126 /nfs/dbraw/zinc/20/01/26/460200126.db2.gz HDVCBIGIKPCWRP-LLVKDONJSA-N 1 0 348.428 3.348 20 5 EGBDRO CC[NH+]1CCC(CNc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1 ZINC000611181708 460302188 /nfs/dbraw/zinc/30/21/88/460302188.db2.gz WSCMSOLHUOWGNY-UHFFFAOYSA-N 1 0 340.427 3.223 20 5 EGBDRO CN(CCCC[NH+]1CCCCC1)c1ncnc2sc([N+](=O)[O-])cc21 ZINC000603423391 460302548 /nfs/dbraw/zinc/30/25/48/460302548.db2.gz OENISWBWGLMVQV-UHFFFAOYSA-N 1 0 349.460 3.302 20 5 EGBDRO COC(=O)[C@H]1CN(Cc2ccc(F)cc2[N+](=O)[O-])Cc2ccccc21 ZINC000599676660 460306846 /nfs/dbraw/zinc/30/68/46/460306846.db2.gz GCWAOCZPFRXERE-INIZCTEOSA-N 1 0 344.342 3.006 20 5 EGBDRO COc1ccc([C@H]([NH2+]CCOc2ccccc2[N+](=O)[O-])C2CC2)cn1 ZINC000599694553 460313988 /nfs/dbraw/zinc/31/39/88/460313988.db2.gz ADMIZLOGZGMQHZ-GOSISDBHSA-N 1 0 343.383 3.118 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCN(C2CCCCC2)C1=O ZINC000611337124 460339197 /nfs/dbraw/zinc/33/91/97/460339197.db2.gz TVNMZYIJXNEXRX-KSSFIOAISA-N 1 0 345.443 3.487 20 5 EGBDRO Cc1cc(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])ncn1 ZINC000611337289 460339566 /nfs/dbraw/zinc/33/95/66/460339566.db2.gz VHPKGSPANAGGJG-PBHICJAKSA-N 1 0 326.400 3.194 20 5 EGBDRO C[C@H](CNc1ccc([N+](=O)[O-])cc1)[NH+]1CCN(c2ccccc2)CC1 ZINC000603853717 460348916 /nfs/dbraw/zinc/34/89/16/460348916.db2.gz KIIFUVYQHREIAB-MRXNPFEDSA-N 1 0 340.427 3.217 20 5 EGBDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000604539080 460443929 /nfs/dbraw/zinc/44/39/29/460443929.db2.gz HAIICVYVLIXVBK-MRXNPFEDSA-N 1 0 334.420 3.371 20 5 EGBDRO C[C@H]1CN(c2ccccc2F)CCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000616132780 460479270 /nfs/dbraw/zinc/47/92/70/460479270.db2.gz UHXZNGQIBHBRAE-AWEZNQCLSA-N 1 0 329.375 3.445 20 5 EGBDRO C[C@@H]1CN(c2ccccc2F)CCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000616133046 460480032 /nfs/dbraw/zinc/48/00/32/460480032.db2.gz UHXZNGQIBHBRAE-CQSZACIVSA-N 1 0 329.375 3.445 20 5 EGBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)[C@@H](CC)Cc1ccc([N+](=O)[O-])cc1 ZINC000613234230 460876897 /nfs/dbraw/zinc/87/68/97/460876897.db2.gz YBDDFUDIVIGENR-IRXDYDNUSA-N 1 0 347.459 3.154 20 5 EGBDRO Cc1ncc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)s1 ZINC000601936312 460951439 /nfs/dbraw/zinc/95/14/39/460951439.db2.gz RWGMWBQKENEOJZ-QWRGUYRKSA-N 1 0 348.428 3.346 20 5 EGBDRO Cc1ncc([C@H](C)[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])s1 ZINC000601969664 460966038 /nfs/dbraw/zinc/96/60/38/460966038.db2.gz RSUUPTWXOIBUMR-JTQLQIEISA-N 1 0 334.401 3.039 20 5 EGBDRO Cc1c(C[NH+]2CCC(O)(c3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000185496669 533842730 /nfs/dbraw/zinc/84/27/30/533842730.db2.gz QSPQWNPPZBJCLN-UHFFFAOYSA-N 1 0 326.396 3.387 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000191379367 534055526 /nfs/dbraw/zinc/05/55/26/534055526.db2.gz MXCJERNOPWNOBS-UHFFFAOYSA-N 1 0 346.431 3.208 20 5 EGBDRO CC(C)(CNc1ncnc2sc([N+](=O)[O-])cc21)C[NH+]1CCCC1 ZINC000286153904 517398281 /nfs/dbraw/zinc/39/82/81/517398281.db2.gz AQWYFKCLGKJUCX-UHFFFAOYSA-N 1 0 335.433 3.133 20 5 EGBDRO CC(C)CCSc1ccc(C(=O)NCC[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000178651988 534909851 /nfs/dbraw/zinc/90/98/51/534909851.db2.gz JYPVFUZEJXUXGQ-GFCCVEGCSA-N 1 0 339.461 3.200 20 5 EGBDRO O=C(C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])Nc1ccc(F)c(F)c1 ZINC000726605580 574563405 /nfs/dbraw/zinc/56/34/05/574563405.db2.gz USFIEIVLIRQANS-HYXAFXHYSA-N 1 0 347.321 3.115 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]Cc2ccccc2N2CCCC2)cc1 ZINC000731678168 575199335 /nfs/dbraw/zinc/19/93/35/575199335.db2.gz HNMQRXQFIVFNIQ-IBGZPJMESA-N 1 0 341.411 3.018 20 5 EGBDRO CC[NH+]1CCN(c2ccc(Nc3nccc(C)c3[N+](=O)[O-])cc2)CC1 ZINC000734481360 575492046 /nfs/dbraw/zinc/49/20/46/575492046.db2.gz QMQJZPYDWSDGKV-UHFFFAOYSA-N 1 0 341.415 3.184 20 5 EGBDRO COc1ccc(-c2ccc(C[NH2+][C@@H](CCO)C3CC3)o2)c([N+](=O)[O-])c1 ZINC000741258597 576669492 /nfs/dbraw/zinc/66/94/92/576669492.db2.gz QNMATFJHIKBOKK-INIZCTEOSA-N 1 0 346.383 3.114 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCC(=O)Nc1ccccc1 ZINC000873049223 1297247657 /nfs/dbraw/zinc/24/76/57/1297247657.db2.gz CMQASCFSEPSIQK-UHFFFAOYSA-N 1 0 327.384 3.330 20 5 EGBDRO Cc1ccoc1C(=O)NCCC[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873056413 1297250476 /nfs/dbraw/zinc/25/04/76/1297250476.db2.gz DPYVHNJDEZHQHH-UHFFFAOYSA-N 1 0 345.399 3.023 20 5 EGBDRO C[C@H]([NH2+]C[C@H]1CN(C2CCCCC2)C(=O)O1)c1cccc([N+](=O)[O-])c1 ZINC000828147387 1292437085 /nfs/dbraw/zinc/43/70/85/1292437085.db2.gz ANRDZCDRHKXXRY-GUYCJALGSA-N 1 0 347.415 3.399 20 5 EGBDRO CC[NH+](CC)CCCC1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000828216314 1292442238 /nfs/dbraw/zinc/44/22/38/1292442238.db2.gz AYHZDXXTCLGNRL-UHFFFAOYSA-N 1 0 341.496 3.183 20 5 EGBDRO Cc1nn(C[N@@H+]2CC[C@@H](Cc3ccc(F)cc3)C2)c(C)c1[N+](=O)[O-] ZINC000119812890 1293289915 /nfs/dbraw/zinc/28/99/15/1293289915.db2.gz KRBGWPJHIVEZPA-HNNXBMFYSA-N 1 0 332.379 3.069 20 5 EGBDRO Cc1ccc(COC(=O)c2cccc(C[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000835482607 1293299844 /nfs/dbraw/zinc/29/98/44/1293299844.db2.gz XMKJBYZBBXKRGL-UHFFFAOYSA-N 1 0 328.368 3.322 20 5 EGBDRO CN(C)c1cccc(CN(C)Cn2ncc3ccc([N+](=O)[O-])cc32)c1 ZINC000120646156 1293331632 /nfs/dbraw/zinc/33/16/32/1293331632.db2.gz LASBHIXPFAZTRB-UHFFFAOYSA-N 1 0 339.399 3.100 20 5 EGBDRO C[C@@H](CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC000126242945 1293528631 /nfs/dbraw/zinc/52/86/31/1293528631.db2.gz WBIYKCFFGMFSON-RYUDHWBXSA-N 1 0 339.823 3.098 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)c1ccco1 ZINC000129691907 1293631380 /nfs/dbraw/zinc/63/13/80/1293631380.db2.gz SFPLQIILEAOBDM-QRTARXTBSA-N 1 0 330.384 3.222 20 5 EGBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000154754771 1294069449 /nfs/dbraw/zinc/06/94/49/1294069449.db2.gz LJPYHNARZQCERA-DHZHZOJOSA-N 1 0 343.427 3.085 20 5 EGBDRO O=[N+]([O-])c1cn(C[N@@H+]2CCC3(CCCC3)C2)nc1-c1ccncc1 ZINC000173444122 1294462208 /nfs/dbraw/zinc/46/22/08/1294462208.db2.gz WXYOHSBPLABFJL-UHFFFAOYSA-N 1 0 327.388 3.077 20 5 EGBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc(F)cc(C)c1[N+](=O)[O-] ZINC000176236500 1294596760 /nfs/dbraw/zinc/59/67/60/1294596760.db2.gz AYWDDSFNFDQDDN-AWEZNQCLSA-N 1 0 337.395 3.037 20 5 EGBDRO Cc1ccc(N2CC[C@@H]([NH2+][C@@H](C)c3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000178658778 1294748533 /nfs/dbraw/zinc/74/85/33/1294748533.db2.gz SGGJDEOXASRESK-KBXCAEBGSA-N 1 0 339.395 3.359 20 5 EGBDRO Cc1ccc(N2CC[C@H]([NH2+][C@H](C)c3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000178658794 1294748612 /nfs/dbraw/zinc/74/86/12/1294748612.db2.gz SGGJDEOXASRESK-KDOFPFPSSA-N 1 0 339.395 3.359 20 5 EGBDRO C[C@@H](c1nc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)no1)c1ccc([N+](=O)[O-])cc1F ZINC000871797327 1296539638 /nfs/dbraw/zinc/53/96/38/1296539638.db2.gz JRJAXQPUBUZQIU-WAAKLRNESA-N 1 0 346.362 3.267 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000872022698 1296665846 /nfs/dbraw/zinc/66/58/46/1296665846.db2.gz YPFGQZGCSLZPDH-OLZOCXBDSA-N 1 0 335.473 3.452 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCc1cnn(C)c1 ZINC000872030481 1296678834 /nfs/dbraw/zinc/67/88/34/1296678834.db2.gz GEDUQJCKZKRFKN-LBPRGKRZSA-N 1 0 334.445 3.334 20 5 EGBDRO CCO[C@@H]1COCC[C@H]1[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872062390 1296708663 /nfs/dbraw/zinc/70/86/63/1296708663.db2.gz MKQMWIBPHRYRKM-NILFDRSVSA-N 1 0 340.445 3.161 20 5 EGBDRO COC[C@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC)[C@H]1CCCO1 ZINC000872066321 1296711788 /nfs/dbraw/zinc/71/17/88/1296711788.db2.gz HBVFOPKQYNJCFG-BYCMXARLSA-N 1 0 340.445 3.161 20 5 EGBDRO C[C@@H]1OCC[C@]1(C)[NH2+]Cc1cccc([N+](=O)[O-])c1Br ZINC000300633371 1296783469 /nfs/dbraw/zinc/78/34/69/1296783469.db2.gz XEGQKNLMRCAFFO-ZANVPECISA-N 1 0 329.194 3.014 20 5 EGBDRO C[C@@H]1[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CCCN1C(=O)OC(C)(C)C ZINC000310816835 1297101585 /nfs/dbraw/zinc/10/15/85/1297101585.db2.gz FARZJCWXUNHKTG-UKRRQHHQSA-N 1 0 349.431 3.472 20 5 EGBDRO COc1ccc([C@H](O)C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)cc1 ZINC000873010643 1297222180 /nfs/dbraw/zinc/22/21/80/1297222180.db2.gz KMWIKZIZHNWIKI-GOSISDBHSA-N 1 0 330.384 3.043 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000873790891 1297687852 /nfs/dbraw/zinc/68/78/52/1297687852.db2.gz XWUDGDDCYHJVMX-KRWDZBQOSA-N 1 0 341.411 3.244 20 5 EGBDRO CC(C)[NH+]1CCC(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000875054189 1298215751 /nfs/dbraw/zinc/21/57/51/1298215751.db2.gz JQIXCJFJUSZXCZ-UHFFFAOYSA-N 1 0 325.796 3.307 20 5 EGBDRO O=C(Nc1cc([N+](=O)[O-])ccc1F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000875054162 1298216008 /nfs/dbraw/zinc/21/60/08/1298216008.db2.gz IXGDLGGYBHSLPG-CQSZACIVSA-N 1 0 343.358 3.195 20 5 EGBDRO C[C@@H]1C[NH2+]C[C@H]1CCNc1ccc([N+](=O)[O-])cc1Br ZINC000721065107 1298330295 /nfs/dbraw/zinc/33/02/95/1298330295.db2.gz IIIJTJPJERDUHS-NXEZZACHSA-N 1 0 328.210 3.015 20 5 EGBDRO Cc1noc([C@@H]2CCC[N@H+](Cc3c(C)ccc([N+](=O)[O-])c3C)C2)n1 ZINC000876612080 1298866989 /nfs/dbraw/zinc/86/69/89/1298866989.db2.gz BAHVBYUVQSMKQK-CQSZACIVSA-N 1 0 330.388 3.283 20 5 EGBDRO Cc1ccc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1F ZINC000876905822 1299059505 /nfs/dbraw/zinc/05/95/05/1299059505.db2.gz YYDKEDKBMRZAAZ-UHFFFAOYSA-N 1 0 344.390 3.196 20 5 EGBDRO C[C@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])[C@@H](O)c1cccc(F)c1 ZINC000749119444 1299146281 /nfs/dbraw/zinc/14/62/81/1299146281.db2.gz SFUNDJLHEONLEG-UFFYVGODSA-N 1 0 330.359 3.459 20 5 EGBDRO C[NH+](C)Cc1ccc(NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)cc1F ZINC000749153937 1299154014 /nfs/dbraw/zinc/15/40/14/1299154014.db2.gz FJGPDOHIYYVVPP-YHYXMXQVSA-N 1 0 343.358 3.447 20 5 EGBDRO C[C@@H]([NH3+])CN(C)C(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000877104630 1299157814 /nfs/dbraw/zinc/15/78/14/1299157814.db2.gz FFNOOEMTBKCDOV-LLVKDONJSA-N 1 0 337.445 3.049 20 5 EGBDRO C[C@H]([NH3+])CN(C)C(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000877104632 1299158005 /nfs/dbraw/zinc/15/80/05/1299158005.db2.gz FFNOOEMTBKCDOV-NSHDSACASA-N 1 0 337.445 3.049 20 5 EGBDRO O=C(Cc1ccccc1[N+](=O)[O-])NC1CCC([NH+]2CCCCC2)CC1 ZINC000750854944 1299464171 /nfs/dbraw/zinc/46/41/71/1299464171.db2.gz BZFMNDFKUSUHDW-UHFFFAOYSA-N 1 0 345.443 3.051 20 5 EGBDRO CC(=O)Nc1ccc2c(c1)C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)CC2 ZINC000877817300 1299579764 /nfs/dbraw/zinc/57/97/64/1299579764.db2.gz KGVMAJSAWCUAQV-UHFFFAOYSA-N 1 0 339.395 3.154 20 5 EGBDRO Cc1csc([C@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C2CC2)n1 ZINC000754201891 1300105577 /nfs/dbraw/zinc/10/55/77/1300105577.db2.gz ZSUYPRLVRYCBBJ-HUUCEWRRSA-N 1 0 333.413 3.134 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)s1 ZINC000754667729 1300187838 /nfs/dbraw/zinc/18/78/38/1300187838.db2.gz AQLOXEBLPJRHFA-IUODEOHRSA-N 1 0 345.424 3.421 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])s1 ZINC000754679003 1300188472 /nfs/dbraw/zinc/18/84/72/1300188472.db2.gz OEGPYKZETVMHIC-STQMWFEESA-N 1 0 336.413 3.055 20 5 EGBDRO CC1(C)CCC[C@H]1[NH2+]CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000755056683 1300274627 /nfs/dbraw/zinc/27/46/27/1300274627.db2.gz IDSZYEWTYRUWEX-CYBMUJFWSA-N 1 0 325.796 3.355 20 5 EGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C1COC(C)(C)OC1 ZINC000757699386 1300713348 /nfs/dbraw/zinc/71/33/48/1300713348.db2.gz VQEWAZFNWSFPJR-GFCCVEGCSA-N 1 0 340.445 3.207 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000880203845 1300982853 /nfs/dbraw/zinc/98/28/53/1300982853.db2.gz NNVCZHKSXURDRT-NVXWUHKLSA-N 1 0 347.459 3.197 20 5 EGBDRO C[C@H]1CC[N@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)CC1(C)C ZINC000758998191 1300996234 /nfs/dbraw/zinc/99/62/34/1300996234.db2.gz AFMWQKOXSPUBCG-ZDUSSCGKSA-N 1 0 329.404 3.179 20 5 EGBDRO Cc1c([C@H](C)[NH2+]CCNC(=O)c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000765312132 1302244679 /nfs/dbraw/zinc/24/46/79/1302244679.db2.gz WSWXVMILCNPWJB-ZDUSSCGKSA-N 1 0 345.374 3.123 20 5 EGBDRO COCC[N@H+](C)CCCC1CCN(c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000766427787 1302450769 /nfs/dbraw/zinc/45/07/69/1302450769.db2.gz HEQDBRVLMQWJRD-UHFFFAOYSA-N 1 0 349.475 3.478 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC000767723865 1302751330 /nfs/dbraw/zinc/75/13/30/1302751330.db2.gz XNJVKOWQTNGDCI-YVJSUPCUSA-N 1 0 330.359 3.460 20 5 EGBDRO C[C@H]1C[N@H+](CCCNc2ncc([N+](=O)[O-])c3ccccc32)CCCO1 ZINC000884487597 1302879436 /nfs/dbraw/zinc/87/94/36/1302879436.db2.gz YZHNSVHURUAQHB-AWEZNQCLSA-N 1 0 344.415 3.056 20 5 EGBDRO C[N@H+](CCOC(=O)c1cccc([N+](=O)[O-])c1)Cc1ccc(F)cc1 ZINC000769050106 1303035940 /nfs/dbraw/zinc/03/59/40/1303035940.db2.gz PRQQZVGQSAHRLV-UHFFFAOYSA-N 1 0 332.331 3.023 20 5 EGBDRO Cc1cc(C(=O)OCC[N@@H+](C)Cc2ccc(F)cc2)cc([N+](=O)[O-])c1 ZINC000769093286 1303045907 /nfs/dbraw/zinc/04/59/07/1303045907.db2.gz SVLHHLVWAHHWOP-UHFFFAOYSA-N 1 0 346.358 3.331 20 5 EGBDRO Cc1ccc(C[N@@H+](C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000769335049 1303095178 /nfs/dbraw/zinc/09/51/78/1303095178.db2.gz SSAGJKKRVUXRSM-HNNXBMFYSA-N 1 0 349.431 3.344 20 5 EGBDRO Cc1ccc(C[N@@H+](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000769335051 1303095842 /nfs/dbraw/zinc/09/58/42/1303095842.db2.gz SSAGJKKRVUXRSM-OAHLLOKOSA-N 1 0 349.431 3.344 20 5 EGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@@H]1CCOC2(CCOCC2)C1 ZINC000769414223 1303109897 /nfs/dbraw/zinc/10/98/97/1303109897.db2.gz PTVKETTYOQWFCP-CQSZACIVSA-N 1 0 340.807 3.066 20 5 EGBDRO Cn1ccnc1[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000770003342 1303205007 /nfs/dbraw/zinc/20/50/07/1303205007.db2.gz QYZPLARGVAQKFC-GFCCVEGCSA-N 1 0 334.807 3.361 20 5 EGBDRO O=[N+]([O-])c1ncccc1C[NH2+][C@H](c1ccccc1)C1(CO)CCCC1 ZINC000886238740 1303408779 /nfs/dbraw/zinc/40/87/79/1303408779.db2.gz HERBZHCLEIGWOI-QGZVFWFLSA-N 1 0 341.411 3.373 20 5 EGBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCSC(F)(F)F)n1 ZINC000774133267 1303776822 /nfs/dbraw/zinc/77/68/22/1303776822.db2.gz FCSGHCTUIJLDNE-ZJUUUORDSA-N 1 0 338.355 3.118 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CC[C@@H](c3ccccc3F)C2)cc1 ZINC000776582296 1304174549 /nfs/dbraw/zinc/17/45/49/1304174549.db2.gz OKWGXNVQEXCLQL-KDOFPFPSSA-N 1 0 330.359 3.257 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCSC[C@H]2c2ccccc2)cc1 ZINC000776582719 1304174636 /nfs/dbraw/zinc/17/46/36/1304174636.db2.gz ATLFMUUPXZHSOQ-ROUUACIJSA-N 1 0 344.436 3.418 20 5 EGBDRO COc1ccc([C@@H]2CC[N@H+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000776582475 1304174743 /nfs/dbraw/zinc/17/47/43/1304174743.db2.gz UUKVBIFRRYWEGJ-APWZRJJASA-N 1 0 342.395 3.126 20 5 EGBDRO C[C@H]1c2c(F)cccc2CC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776584973 1304175264 /nfs/dbraw/zinc/17/52/64/1304175264.db2.gz QBRWYAATZUXYCY-YVEFUNNKSA-N 1 0 330.359 3.387 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CC[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000776593044 1304178256 /nfs/dbraw/zinc/17/82/56/1304178256.db2.gz UMUATWHUAACEBZ-QAPCUYQASA-N 1 0 330.359 3.257 20 5 EGBDRO Cc1nc2c(s1)[C@H]([N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1)CCC2 ZINC000776592378 1304178327 /nfs/dbraw/zinc/17/83/27/1304178327.db2.gz NDJVKMPJDYDQLO-CVEARBPZSA-N 1 0 347.440 3.403 20 5 EGBDRO CS[C@H]1CC[C@@H]([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000776700220 1304185537 /nfs/dbraw/zinc/18/55/37/1304185537.db2.gz KGYZHGDDALLMSB-ZBFHGGJFSA-N 1 0 346.456 3.369 20 5 EGBDRO Cc1nn(C[NH+]2CCC(C)(C(C)C)CC2)c2ncc([N+](=O)[O-])cc12 ZINC000777560015 1304318579 /nfs/dbraw/zinc/31/85/79/1304318579.db2.gz HDAIQLBTCIVCGC-UHFFFAOYSA-N 1 0 331.420 3.364 20 5 EGBDRO CC1(C)C[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C(C)(C)O1 ZINC000779176510 1304538517 /nfs/dbraw/zinc/53/85/17/1304538517.db2.gz QSSSSHZNSINWEJ-KRWDZBQOSA-N 1 0 347.459 3.499 20 5 EGBDRO C[C@@H]1CC[C@H](C(F)(F)F)C[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000780386190 1304684060 /nfs/dbraw/zinc/68/40/60/1304684060.db2.gz VLLFUDRHXQFTQZ-SCDSUCTJSA-N 1 0 332.322 3.291 20 5 EGBDRO Cc1cc(F)cc(C(=O)Nc2ccccc2CC[NH+](C)C)c1[N+](=O)[O-] ZINC000782937837 1305025536 /nfs/dbraw/zinc/02/55/36/1305025536.db2.gz LDHJKHPGTRGVLM-UHFFFAOYSA-N 1 0 345.374 3.399 20 5 EGBDRO Cc1nn(C[NH+]2CCC([C@H]3CCCO3)CC2)c2ccc([N+](=O)[O-])cc12 ZINC000783969134 1305170332 /nfs/dbraw/zinc/17/03/32/1305170332.db2.gz TYVAKLTYVLMWGR-GOSISDBHSA-N 1 0 344.415 3.101 20 5 EGBDRO COc1c(O)ccc(CNc2ccc(C)cc2C[NH+](C)C)c1[N+](=O)[O-] ZINC000892375734 1305342478 /nfs/dbraw/zinc/34/24/78/1305342478.db2.gz SCWDMAGXWOOEMK-UHFFFAOYSA-N 1 0 345.399 3.291 20 5 EGBDRO COc1c(O)ccc(C[NH2+]CCc2cccc(Cl)c2)c1[N+](=O)[O-] ZINC000892412752 1305360173 /nfs/dbraw/zinc/36/01/73/1305360173.db2.gz NFBSGIYGXYIQPF-UHFFFAOYSA-N 1 0 336.775 3.295 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccc(-n2ccnc2)nc1 ZINC000786808983 1305634076 /nfs/dbraw/zinc/63/40/76/1305634076.db2.gz LUBMETMVSOXPMN-OQLLNIDSSA-N 1 0 349.394 3.369 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1COC2(CCCC2)O1 ZINC000786820950 1305635023 /nfs/dbraw/zinc/63/50/23/1305635023.db2.gz MZHOESQMNOYNGW-CRPZLVSXSA-N 1 0 332.400 3.273 20 5 EGBDRO CCC(CC)[NH2+]CCNC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000893454850 1305905148 /nfs/dbraw/zinc/90/51/48/1305905148.db2.gz XHYYVOZJNPLIJV-CYBMUJFWSA-N 1 0 336.436 3.042 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC([C@@H](O)c2ncc[nH]2)CC1 ZINC000790080062 1306257829 /nfs/dbraw/zinc/25/78/29/1306257829.db2.gz OJBNDQMTGPCSOY-CXAGYDPISA-N 1 0 344.415 3.133 20 5 EGBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000791060089 1308919151 /nfs/dbraw/zinc/91/91/51/1308919151.db2.gz JEMFLOKPZQLTDP-CQSZACIVSA-N 1 0 339.823 3.098 20 5 EGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+][C@H](CO)CC1CCC1 ZINC000894831462 1309092062 /nfs/dbraw/zinc/09/20/62/1309092062.db2.gz AIDBOQCIPYFIFD-ZDUSSCGKSA-N 1 0 332.322 3.254 20 5 EGBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]CC2CCC3(CC2)OCCO3)cc1 ZINC000795939937 1309867009 /nfs/dbraw/zinc/86/70/09/1309867009.db2.gz VQERZOUKQHKEKL-UHFFFAOYSA-N 1 0 348.443 3.440 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)c1C ZINC000896792036 1310016244 /nfs/dbraw/zinc/01/62/44/1310016244.db2.gz WSCMMVLJZMBSQH-INIZCTEOSA-N 1 0 345.443 3.016 20 5 EGBDRO CCOCCOCC[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000897204429 1310220720 /nfs/dbraw/zinc/22/07/20/1310220720.db2.gz PDAZEGHLTDWPIK-UHFFFAOYSA-N 1 0 337.203 3.044 20 5 EGBDRO COc1cc(N2CCCC3(CC[NH+](C)CC3)C2)c(F)cc1[N+](=O)[O-] ZINC000798405951 1310357113 /nfs/dbraw/zinc/35/71/13/1310357113.db2.gz HXUAEAKKALWNJA-UHFFFAOYSA-N 1 0 337.395 3.055 20 5 EGBDRO C[C@@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C[C@@H]1O ZINC000897684663 1310433835 /nfs/dbraw/zinc/43/38/35/1310433835.db2.gz UVGJVWYFYAXGMS-BMIGLBTASA-N 1 0 336.775 3.321 20 5 EGBDRO O=C(OCCC[NH+]1CCCCC1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000800138647 1310680898 /nfs/dbraw/zinc/68/08/98/1310680898.db2.gz LZUUWURZIPWLOX-UHFFFAOYSA-N 1 0 332.356 3.374 20 5 EGBDRO CO[C@H]1C[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C12CCC2 ZINC000839183814 1320888586 /nfs/dbraw/zinc/88/85/86/1320888586.db2.gz ZQBZJUSPJHPDAR-ROUUACIJSA-N 1 0 345.443 3.111 20 5 EGBDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000929399793 1328588076 /nfs/dbraw/zinc/58/80/76/1328588076.db2.gz VCIALMAWVNJNOY-FHLIZLRMSA-N 1 0 345.443 3.079 20 5 EGBDRO O=[N+]([O-])c1cccc([N+](=O)[O-])c1N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000804326181 1317219636 /nfs/dbraw/zinc/21/96/36/1317219636.db2.gz KNWPAZCSNZANRD-AWEZNQCLSA-N 1 0 342.355 3.189 20 5 EGBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000804461858 1317239166 /nfs/dbraw/zinc/23/91/66/1317239166.db2.gz WAVZQMZFYUNASX-UHFFFAOYSA-N 1 0 345.443 3.498 20 5 EGBDRO C[C@@H]1C[C@@H](Nc2ccc(N)cc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000804545509 1317258356 /nfs/dbraw/zinc/25/83/56/1317258356.db2.gz YYKDOSVYQJNGPW-CZUORRHYSA-N 1 0 326.400 3.252 20 5 EGBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Nc1ccc(N)cc1[N+](=O)[O-] ZINC000804616248 1317267460 /nfs/dbraw/zinc/26/74/60/1317267460.db2.gz LZDQFSYHWMJFJL-DYVFJYSZSA-N 1 0 326.400 3.109 20 5 EGBDRO C[C@H]1C[N@H+](CCCNc2cc(Cl)ccc2[N+](=O)[O-])CCCO1 ZINC000804650727 1317269448 /nfs/dbraw/zinc/26/94/48/1317269448.db2.gz VGXFXXPGSIGXIR-LBPRGKRZSA-N 1 0 327.812 3.161 20 5 EGBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC[C@@H]1C[NH3+] ZINC000900381600 1317282725 /nfs/dbraw/zinc/28/27/25/1317282725.db2.gz WDDLDTBDJOWNCQ-TZMCWYRMSA-N 1 0 344.390 3.217 20 5 EGBDRO CCCNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000805776577 1317424202 /nfs/dbraw/zinc/42/42/02/1317424202.db2.gz RGRPKJDGLOJGJS-MRXNPFEDSA-N 1 0 335.404 3.086 20 5 EGBDRO O=C(NCCC[NH+]1CCCCCC1)c1cccc([N+](=O)[O-])c1Cl ZINC000858176839 1328704374 /nfs/dbraw/zinc/70/43/74/1328704374.db2.gz HZNDUEYTIRBKRG-UHFFFAOYSA-N 1 0 339.823 3.244 20 5 EGBDRO COC(OC)c1ccc(F)c(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000809425013 1317815608 /nfs/dbraw/zinc/81/56/08/1317815608.db2.gz QEWAFCWVCHFUOE-UHFFFAOYSA-N 1 0 348.374 3.358 20 5 EGBDRO COC(=O)CC(C)(C)[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809963972 1317925134 /nfs/dbraw/zinc/92/51/34/1317925134.db2.gz BAQSWIFMRYDQIE-UHFFFAOYSA-N 1 0 335.187 3.333 20 5 EGBDRO Cc1c(C[N@@H+]2CCCC[C@H]2COC(=O)NC2CC2)cccc1[N+](=O)[O-] ZINC000810037087 1317940935 /nfs/dbraw/zinc/94/09/35/1317940935.db2.gz DMUSRBFZVAPXOB-INIZCTEOSA-N 1 0 347.415 3.146 20 5 EGBDRO O=[N+]([O-])CC[NH2+][C@@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000905260398 1317942690 /nfs/dbraw/zinc/94/26/90/1317942690.db2.gz MGQNMWIFWBXOFN-CYBMUJFWSA-N 1 0 338.205 3.174 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCC2CCC(F)(F)CC2)cc1 ZINC000905678947 1317980774 /nfs/dbraw/zinc/98/07/74/1317980774.db2.gz NOULGCAVDVWILF-OAHLLOKOSA-N 1 0 328.359 3.433 20 5 EGBDRO C[C@H]1CC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC001020952723 1318011421 /nfs/dbraw/zinc/01/14/21/1318011421.db2.gz XGQMQNOZAJVHIM-JWRMFDMWSA-N 1 0 345.443 3.158 20 5 EGBDRO CSc1cccc(C(=O)O[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000810842786 1318063752 /nfs/dbraw/zinc/06/37/52/1318063752.db2.gz ULECLVZBSUHJRA-VXGBXAGGSA-N 1 0 336.413 3.100 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCCC3(CC[NH+](C)CC3)C2)c1C ZINC000907958493 1318285940 /nfs/dbraw/zinc/28/59/40/1318285940.db2.gz AXRLKYXGZVOEJV-UHFFFAOYSA-N 1 0 345.443 3.160 20 5 EGBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000812394658 1318381072 /nfs/dbraw/zinc/38/10/72/1318381072.db2.gz UPFGXMHSGAHAEH-NSHDSACASA-N 1 0 327.812 3.098 20 5 EGBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[N@H+](CC)C[C@@H]1C ZINC000910282276 1318594663 /nfs/dbraw/zinc/59/46/63/1318594663.db2.gz GUGXJZZIYLONMC-DOTOQJQBSA-N 1 0 347.459 3.106 20 5 EGBDRO CCN1CCN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000813606105 1318604212 /nfs/dbraw/zinc/60/42/12/1318604212.db2.gz UDJDYKXUVLDYKT-VIFPVBQESA-N 1 0 346.214 3.068 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1[C@@H](C)C[NH+](C)C ZINC000912812083 1318939149 /nfs/dbraw/zinc/93/91/49/1318939149.db2.gz RHVYBEOLTYNEQX-WMLDXEAASA-N 1 0 333.432 3.096 20 5 EGBDRO Cc1ccc([C@H](C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)N(C)C)cc1 ZINC000815570612 1319017073 /nfs/dbraw/zinc/01/70/73/1319017073.db2.gz IEXJMUWMUYGZTJ-LIRRHRJNSA-N 1 0 342.443 3.439 20 5 EGBDRO C[C@H]([NH2+]C[C@H]1COc2ccccc2C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815566074 1319017695 /nfs/dbraw/zinc/01/76/95/1319017695.db2.gz IEYKASISTNIULK-STQMWFEESA-N 1 0 327.384 3.079 20 5 EGBDRO Cc1ncc2c(n1)CCC[C@@H]2[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815581442 1319020458 /nfs/dbraw/zinc/02/04/58/1319020458.db2.gz GLAATWXILBANKN-BMIGLBTASA-N 1 0 327.388 3.004 20 5 EGBDRO C[C@H](C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)Oc1ccc(F)cc1 ZINC000815583290 1319021340 /nfs/dbraw/zinc/02/13/40/1319021340.db2.gz BLAFJAJFCQMEJO-NEPJUHHUSA-N 1 0 333.363 3.434 20 5 EGBDRO C[C@@H]([NH2+]C[C@H](C)Oc1ccc(F)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815583291 1319021556 /nfs/dbraw/zinc/02/15/56/1319021556.db2.gz BLAFJAJFCQMEJO-NWDGAFQWSA-N 1 0 333.363 3.434 20 5 EGBDRO C[C@H]([NH2+]C[C@H]1COC2(CCC(C)CC2)O1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815609898 1319026821 /nfs/dbraw/zinc/02/68/21/1319026821.db2.gz WEJYTUOFUGBBHV-HGGZBGRVSA-N 1 0 349.431 3.149 20 5 EGBDRO C[C@@H]([NH2+]C[C@H]1COC2(CCCCCC2)O1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815609215 1319027696 /nfs/dbraw/zinc/02/76/96/1319027696.db2.gz AKJBOBKNMRTAQC-HIFRSBDPSA-N 1 0 349.431 3.294 20 5 EGBDRO CCN(CC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)CCC(F)(F)F ZINC000815620597 1319030358 /nfs/dbraw/zinc/03/03/58/1319030358.db2.gz VQGVLQIHKMZOGH-LLVKDONJSA-N 1 0 348.369 3.102 20 5 EGBDRO CC(C)[C@H](C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccnn1C ZINC000815619260 1319030399 /nfs/dbraw/zinc/03/03/99/1319030399.db2.gz HYLOKHALOKOSKN-OCCSQVGLSA-N 1 0 331.420 3.001 20 5 EGBDRO Cc1cc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)cs1 ZINC001022851376 1319136049 /nfs/dbraw/zinc/13/60/49/1319136049.db2.gz JEVBYCONQBTFDV-GASCZTMLSA-N 1 0 345.424 3.015 20 5 EGBDRO C[C@H](CNC(=S)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC[C@H]1C ZINC000915274937 1319459112 /nfs/dbraw/zinc/45/91/12/1319459112.db2.gz QBQFPLBQDUDSFC-CHWSQXEVSA-N 1 0 336.461 3.144 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCCSc2ccccc2)c1 ZINC000818942416 1319583246 /nfs/dbraw/zinc/58/32/46/1319583246.db2.gz JGARRALNVCOENC-QGZVFWFLSA-N 1 0 332.425 3.400 20 5 EGBDRO CC(C)Oc1ccc(CC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000818955432 1319588980 /nfs/dbraw/zinc/58/89/80/1319588980.db2.gz VTNAVUNVQJUHJL-LJQANCHMSA-N 1 0 344.411 3.248 20 5 EGBDRO Cc1ccccc1C1(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000819002995 1319611639 /nfs/dbraw/zinc/61/16/39/1319611639.db2.gz QMNWSHDHQNRVSQ-GOSISDBHSA-N 1 0 326.396 3.258 20 5 EGBDRO CC[C@@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)Oc1cccc(C)c1 ZINC000819136554 1319644202 /nfs/dbraw/zinc/64/42/02/1319644202.db2.gz KSRJWFBKWKOPJJ-PKOBYXMFSA-N 1 0 344.411 3.384 20 5 EGBDRO CC[C@@H](C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)Oc1cccc(F)c1 ZINC000819142571 1319647231 /nfs/dbraw/zinc/64/72/31/1319647231.db2.gz RVZDXGCSSJJWJZ-FUHWJXTLSA-N 1 0 348.374 3.215 20 5 EGBDRO CC(C)(C)c1nc(CC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cs1 ZINC000819197483 1319665121 /nfs/dbraw/zinc/66/51/21/1319665121.db2.gz KETAQJZJKDYWFM-OAHLLOKOSA-N 1 0 349.456 3.215 20 5 EGBDRO C[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000916568508 1319673847 /nfs/dbraw/zinc/67/38/47/1319673847.db2.gz HVBAPPSSUAYAAP-ZYHUDNBSSA-N 1 0 325.796 3.355 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2C[C@H](c3ccccc3F)C2)c1 ZINC000819284315 1319690609 /nfs/dbraw/zinc/69/06/09/1319690609.db2.gz ZWWLXCCMIZHZGK-HBUWYVDXSA-N 1 0 330.359 3.303 20 5 EGBDRO C[C@H]1CCCC[N@@H+]1CCCCNc1ccc([N+](=O)[O-])c2nonc21 ZINC000917073183 1319748235 /nfs/dbraw/zinc/74/82/35/1319748235.db2.gz HWBIMHGJLUQKGD-LBPRGKRZSA-N 1 0 333.392 3.198 20 5 EGBDRO CCCNC(=O)c1cccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)c1 ZINC000917137658 1319762227 /nfs/dbraw/zinc/76/22/27/1319762227.db2.gz XSGHJGPVIKANBF-UHFFFAOYSA-N 1 0 341.411 3.333 20 5 EGBDRO O=[N+]([O-])c1cc(F)c(Cl)cc1N1CC[NH+](C2CCCC2)CC1 ZINC000820619662 1319923587 /nfs/dbraw/zinc/92/35/87/1319923587.db2.gz XUQTYGWSSMGEDJ-UHFFFAOYSA-N 1 0 327.787 3.452 20 5 EGBDRO CCC(CC)[N@H+](Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1)C1CC1 ZINC000918179371 1319928209 /nfs/dbraw/zinc/92/82/09/1319928209.db2.gz OSEQLPCJHDVQFK-UHFFFAOYSA-N 1 0 329.404 3.464 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CC[C@@H]3CC3(Cl)Cl)C2)nc1 ZINC000822750996 1320120239 /nfs/dbraw/zinc/12/02/39/1320120239.db2.gz SNMROAAYNQWQMW-GHMZBOCLSA-N 1 0 345.230 3.060 20 5 EGBDRO Cc1cc(Cc2noc(CC3(C[NH3+])CCCCC3)n2)ccc1[N+](=O)[O-] ZINC000822863345 1320130853 /nfs/dbraw/zinc/13/08/53/1320130853.db2.gz PALXMKNKCHPDQQ-UHFFFAOYSA-N 1 0 344.415 3.329 20 5 EGBDRO CC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1Br)[C@H]1CCCO1 ZINC000839552652 1320936452 /nfs/dbraw/zinc/93/64/52/1320936452.db2.gz SECQRZJHFNZJPS-DGCLKSJQSA-N 1 0 343.221 3.405 20 5 EGBDRO CO[C@H]1c2ccccc2C[C@H]1[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000840848134 1321161838 /nfs/dbraw/zinc/16/18/38/1321161838.db2.gz RAKASOKTPZQOFQ-ONUMYQOESA-N 1 0 327.384 3.140 20 5 EGBDRO CO[C@@](C)([C@@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC000840858190 1321163536 /nfs/dbraw/zinc/16/35/36/1321163536.db2.gz AWXVCPFCGYTJEU-KUHUBIRLSA-N 1 0 347.459 3.357 20 5 EGBDRO Cc1cc(NC(=O)N2CCC([NH2+]C3CCC3)CC2)ccc1[N+](=O)[O-] ZINC000930732383 1328952056 /nfs/dbraw/zinc/95/20/56/1328952056.db2.gz IDOWTNJQDTUEAH-UHFFFAOYSA-N 1 0 332.404 3.042 20 5 EGBDRO Cc1nn(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCOC2)c2cc([N+](=O)[O-])ccc12 ZINC000842619109 1321407408 /nfs/dbraw/zinc/40/74/08/1321407408.db2.gz UDVYAEDBFJSUKH-RHSMWYFYSA-N 1 0 344.415 3.101 20 5 EGBDRO CCOc1ccc(C(=O)OC[C@H]2CC[N@@H+]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000845740488 1321740571 /nfs/dbraw/zinc/74/05/71/1321740571.db2.gz POYSQRBRBUETGE-CYBMUJFWSA-N 1 0 336.388 3.023 20 5 EGBDRO Cc1ccc(CNC(=[NH2+])NCCc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000849077252 1322068185 /nfs/dbraw/zinc/06/81/85/1322068185.db2.gz YBCJNFPHGZKZCL-UHFFFAOYSA-N 1 0 346.818 3.413 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC000850424525 1322245170 /nfs/dbraw/zinc/24/51/70/1322245170.db2.gz JSKIQWDWVQDPAM-ZBEGNZNMSA-N 1 0 334.347 3.127 20 5 EGBDRO CCC1CCC([N@H+](C)Cn2cc(Br)c([N+](=O)[O-])n2)CC1 ZINC000921045454 1322250058 /nfs/dbraw/zinc/25/00/58/1322250058.db2.gz DMQMRDXEBGUAEH-UHFFFAOYSA-N 1 0 345.241 3.412 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@](C)(O)c1ccc(F)cc1 ZINC000850450232 1322251362 /nfs/dbraw/zinc/25/13/62/1322251362.db2.gz ZLUCKQDPQZHXAG-KPZWWZAWSA-N 1 0 348.374 3.301 20 5 EGBDRO C[C@](O)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)c1cccc(F)c1 ZINC000922563052 1322557368 /nfs/dbraw/zinc/55/73/68/1322557368.db2.gz BFALYAVOTNBBDZ-INIZCTEOSA-N 1 0 338.766 3.385 20 5 EGBDRO C[C@@](O)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)c1cccc(F)c1 ZINC000922563053 1322557468 /nfs/dbraw/zinc/55/74/68/1322557468.db2.gz BFALYAVOTNBBDZ-MRXNPFEDSA-N 1 0 338.766 3.385 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]CC3CC4(C3)OCCO4)o2)c1 ZINC000922800506 1322620841 /nfs/dbraw/zinc/62/08/41/1322620841.db2.gz YVQAYKDRCHOQAW-UHFFFAOYSA-N 1 0 344.367 3.098 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCO[C@@H]3CCOC3)s2)cc1 ZINC000922940448 1322654229 /nfs/dbraw/zinc/65/42/29/1322654229.db2.gz ZPWGMLGEELCSNM-OAHLLOKOSA-N 1 0 348.424 3.218 20 5 EGBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)C[C@@H]1[NH2+]Cc3ccccc31)CC2 ZINC000851639228 1323066639 /nfs/dbraw/zinc/06/66/39/1323066639.db2.gz PDVHUXOCNXRAOM-INIZCTEOSA-N 1 0 337.379 3.027 20 5 EGBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccc(F)cc1[N+](=O)[O-] ZINC000852037872 1323135051 /nfs/dbraw/zinc/13/50/51/1323135051.db2.gz CGOWWGRHUYZMOO-UHFFFAOYSA-N 1 0 333.319 3.317 20 5 EGBDRO COc1cccc(C2([NH2+]C[C@H](O)c3ccc([N+](=O)[O-])cc3)CCC2)c1 ZINC000852693450 1323228743 /nfs/dbraw/zinc/22/87/43/1323228743.db2.gz HZQDCLPQRQNZNC-SFHVURJKSA-N 1 0 342.395 3.306 20 5 EGBDRO O=[N+]([O-])c1cc(F)c(Cl)cc1N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000853015376 1323261784 /nfs/dbraw/zinc/26/17/84/1323261784.db2.gz ZDABZNMPQRGPAH-NSHDSACASA-N 1 0 327.787 3.213 20 5 EGBDRO CS[C@@H]1CN(c2ccc(C(F)F)cc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000853460794 1325096760 /nfs/dbraw/zinc/09/67/60/1325096760.db2.gz KHWOEBOSCOYQSS-CHWSQXEVSA-N 1 0 331.388 3.014 20 5 EGBDRO C[C@@H](CCNC(=O)c1cccc([N+](=O)[O-])c1Cl)[NH+]1CCCCC1 ZINC000860779267 1329354359 /nfs/dbraw/zinc/35/43/59/1329354359.db2.gz WDRCVKBJWZZXLB-LBPRGKRZSA-N 1 0 339.823 3.243 20 5 EGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1cc(C2CC2)nn1C ZINC000927098245 1327861895 /nfs/dbraw/zinc/86/18/95/1327861895.db2.gz GOUOBHPMPDBTTH-ZDUSSCGKSA-N 1 0 328.416 3.317 20 5 EGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1cc(C2CC2)n(C)n1 ZINC000927108660 1327869491 /nfs/dbraw/zinc/86/94/91/1327869491.db2.gz MGBZQHJJFAMNOF-NSHDSACASA-N 1 0 332.379 3.066 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCN(c3cc[nH+]cc3)CC2)c(C(F)F)c1 ZINC000865416441 1329694407 /nfs/dbraw/zinc/69/44/07/1329694407.db2.gz ZVVHKRMEEONBHA-UHFFFAOYSA-N 1 0 334.326 3.254 20 5 EGBDRO C[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)N(C)C1CCCCC1 ZINC000932181077 1329791705 /nfs/dbraw/zinc/79/17/05/1329791705.db2.gz HJKPQXQVHRBNKQ-ZIAGYGMSSA-N 1 0 333.432 3.425 20 5 EGBDRO C[C@@H]([NH2+][C@@H](c1ccccn1)C1CC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000932375892 1329809575 /nfs/dbraw/zinc/80/95/75/1329809575.db2.gz AGUURYNOLAHKOV-SJKOYZFVSA-N 1 0 340.383 3.058 20 5 EGBDRO O=C(CC[NH2+][C@@H](c1ccccn1)C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000932381305 1329810418 /nfs/dbraw/zinc/81/04/18/1329810418.db2.gz MYRSNGLCKDKWOR-GOSISDBHSA-N 1 0 340.383 3.059 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](Cc1ccoc1)C1CC1 ZINC000934005528 1329939813 /nfs/dbraw/zinc/93/98/13/1329939813.db2.gz XWWYJUAWPMDYRC-UHFFFAOYSA-N 1 0 343.383 3.489 20 5 EGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CCCc2c1cnn2C ZINC000866228456 1330081138 /nfs/dbraw/zinc/08/11/38/1330081138.db2.gz HNGJAAOAKMCBIB-IAQYHMDHSA-N 1 0 332.379 3.066 20 5 EGBDRO C[C@@H](COCC(F)(F)F)[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866250374 1330085516 /nfs/dbraw/zinc/08/55/16/1330085516.db2.gz ZJKMGGHETSPWCV-UWVGGRQHSA-N 1 0 338.301 3.222 20 5 EGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H](C)[C@H](O)Cc1ccccc1 ZINC000866310485 1330094627 /nfs/dbraw/zinc/09/46/27/1330094627.db2.gz VVDRTPIBJVFDAM-BIENJYKASA-N 1 0 346.402 3.247 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000935938267 1330096770 /nfs/dbraw/zinc/09/67/70/1330096770.db2.gz HWEIKXDXXYLWEV-TZMCWYRMSA-N 1 0 349.456 3.016 20 5 EGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H](O)CCc1ccccc1 ZINC000866338523 1330098238 /nfs/dbraw/zinc/09/82/38/1330098238.db2.gz SRSZECGTMWMHNS-KDOFPFPSSA-N 1 0 346.402 3.248 20 5 EGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@]1(C)CCO[C@@H]1C1CC1 ZINC000866339344 1330098448 /nfs/dbraw/zinc/09/84/48/1330098448.db2.gz AHXRJOPFJLRHDW-PJSAGSTRSA-N 1 0 336.407 3.460 20 5 EGBDRO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)CC1CCN(C(=O)CC2CC2)CC1 ZINC001029925107 1341121541 /nfs/dbraw/zinc/12/15/41/1341121541.db2.gz DDVJHOBXGZCLQL-UHFFFAOYSA-N 1 0 345.443 3.065 20 5 EGBDRO CC(C)C(=O)N1CCC2(C1)CC[NH+](Cc1cccc([N+](=O)[O-])c1)CC2 ZINC001040613393 1345555926 /nfs/dbraw/zinc/55/59/26/1345555926.db2.gz UROFRPAPVSKNGP-UHFFFAOYSA-N 1 0 345.443 3.065 20 5 EGBDRO CC1(NC(=O)C2CC=CC2)CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001045395878 1346581823 /nfs/dbraw/zinc/58/18/23/1346581823.db2.gz VDRKFOMMTZBJBQ-UHFFFAOYSA-N 1 0 343.427 3.032 20 5 EGBDRO CS[C@@H]1CC[C@@H]([N@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC001323293075 1387325798 /nfs/dbraw/zinc/32/57/98/1387325798.db2.gz SSVIHINULDGONV-UKRRQHHQSA-N 1 0 338.429 3.177 20 5 EGBDRO CCC(=CC(=O)N1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1)CC ZINC001200070634 1369311792 /nfs/dbraw/zinc/31/17/92/1369311792.db2.gz ITEYGJHWOKXQTD-UHFFFAOYSA-N 1 0 345.443 3.422 20 5 EGBDRO CC1(CCC(=O)N2CCC([NH2+]Cc3ccccc3[N+](=O)[O-])CC2)CC1 ZINC001203181805 1370013477 /nfs/dbraw/zinc/01/34/77/1370013477.db2.gz KMYDIWHHUVWWMA-UHFFFAOYSA-N 1 0 345.443 3.256 20 5 EGBDRO CC(C)n1ncc2c1[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)CCC2 ZINC001325844164 1388054760 /nfs/dbraw/zinc/05/47/60/1388054760.db2.gz OOYOFHFXZYRHKY-SJORKVTESA-N 1 0 344.415 3.073 20 5 EGBDRO CC(C)=CC(=O)NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC001115391924 1370428659 /nfs/dbraw/zinc/42/86/59/1370428659.db2.gz CJSQZWRPSPAABT-UHFFFAOYSA-N 1 0 345.443 3.470 20 5 EGBDRO CCCCC(=O)N1CCC(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001204517974 1370500767 /nfs/dbraw/zinc/50/07/67/1370500767.db2.gz UZIDTQSJMXYVHW-UHFFFAOYSA-N 1 0 333.432 3.113 20 5 EGBDRO Cc1cccc(NC[C@H]2CCC[N@@H+]2CCc2ccc([N+](=O)[O-])cc2)n1 ZINC001116346211 1370890617 /nfs/dbraw/zinc/89/06/17/1370890617.db2.gz PJBHIFMEYGVLHV-GOSISDBHSA-N 1 0 340.427 3.417 20 5 EGBDRO O=C(OCc1ccc(F)cc1[N+](=O)[O-])[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001118461928 1371184619 /nfs/dbraw/zinc/18/46/19/1371184619.db2.gz ZAYKAUWZWGQISQ-HNNXBMFYSA-N 1 0 336.363 3.184 20 5 EGBDRO Cc1noc(C[N@@H+]2CCC[C@@H](c3nc4ccccc4[nH]3)C2)c1[N+](=O)[O-] ZINC001118496127 1371189710 /nfs/dbraw/zinc/18/97/10/1371189710.db2.gz OINXIKREZBHQPF-GFCCVEGCSA-N 1 0 341.371 3.147 20 5 EGBDRO C[NH+](C)[C@@H]1CCCN(c2ncnc3c(Cl)cc([N+](=O)[O-])cc32)CC1 ZINC001118530520 1371193491 /nfs/dbraw/zinc/19/34/91/1371193491.db2.gz PYQVOXOKNQZKEE-LLVKDONJSA-N 1 0 349.822 3.112 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)c2ncnc(N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)c2c1 ZINC001118579020 1371201787 /nfs/dbraw/zinc/20/17/87/1371201787.db2.gz SXZANNLGAJYRIV-KGLIPLIRSA-N 1 0 347.806 3.230 20 5 EGBDRO CC[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccn1 ZINC001120602310 1371638180 /nfs/dbraw/zinc/63/81/80/1371638180.db2.gz ALNPMEHGEYLDBH-ZDUSSCGKSA-N 1 0 328.372 3.059 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1Nc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC001211289620 1372521940 /nfs/dbraw/zinc/52/19/40/1372521940.db2.gz UMQXMWGBBADLMB-UHFFFAOYSA-N 1 0 340.427 3.394 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1Nc1ccccc1N1CC[NH+](C)CC1 ZINC001211288156 1372521979 /nfs/dbraw/zinc/52/19/79/1372521979.db2.gz IGVSHKILIIUELA-UHFFFAOYSA-N 1 0 326.400 3.399 20 5 EGBDRO C[NH+]1CCN(c2ccc(Nc3cc(F)cc([N+](=O)[O-])c3)cc2)CC1 ZINC001216481859 1373310398 /nfs/dbraw/zinc/31/03/98/1373310398.db2.gz HIKVAYUIMBBPAE-UHFFFAOYSA-N 1 0 330.363 3.229 20 5 EGBDRO CC1(C)[NH2+][C@H](CO[C@@H](c2ccccc2)c2ccccc2[N+](=O)[O-])CO1 ZINC001217929989 1373512738 /nfs/dbraw/zinc/51/27/38/1373512738.db2.gz MGTKFJUJBSYKIX-QAPCUYQASA-N 1 0 342.395 3.425 20 5 EGBDRO Cc1cc(Br)c(O[C@@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC001217996634 1373530068 /nfs/dbraw/zinc/53/00/68/1373530068.db2.gz JATNNFSNHSGNLG-SNVBAGLBSA-N 1 0 329.194 3.187 20 5 EGBDRO O=[N+]([O-])c1cccc(O[C@@H]2CCC23CC[NH2+]CC3)c1Br ZINC001218082199 1373556994 /nfs/dbraw/zinc/55/69/94/1373556994.db2.gz ZIHKZXIZDBOECA-GFCCVEGCSA-N 1 0 341.205 3.268 20 5 EGBDRO O=[N+]([O-])c1cc(Br)ccc1O[C@@H]1CCC[C@@]12CC[NH2+]C2 ZINC001218089919 1373557450 /nfs/dbraw/zinc/55/74/50/1373557450.db2.gz BJLYJGLEDGSCCI-KGLIPLIRSA-N 1 0 341.205 3.268 20 5 EGBDRO O=[N+]([O-])c1cc(-c2ccccc2)ccc1O[C@@H]1CSC2(C[NH2+]C2)C1 ZINC001218098832 1373559997 /nfs/dbraw/zinc/55/99/97/1373559997.db2.gz SATGADJQJIYUSQ-HNNXBMFYSA-N 1 0 342.420 3.488 20 5 EGBDRO O=[N+]([O-])c1cc(Br)cc(O[C@@H]2CCC[C@@]23CC[NH2+]C3)c1 ZINC001218098877 1373560269 /nfs/dbraw/zinc/56/02/69/1373560269.db2.gz XACNHNDHOGKCSO-KGLIPLIRSA-N 1 0 341.205 3.268 20 5 EGBDRO CC(C)(C)c1cc([N+](=O)[O-])c(O[C@H]2CC[C@]23CC[NH2+]C3)c([N+](=O)[O-])c1 ZINC001218116939 1373563844 /nfs/dbraw/zinc/56/38/44/1373563844.db2.gz LNNPSQAYUMFRKJ-WMLDXEAASA-N 1 0 349.387 3.321 20 5 EGBDRO O=[N+]([O-])c1cc(F)c(Br)c(O[C@@H]2CC[C@]23CC[NH2+]C3)c1 ZINC001218126340 1373565577 /nfs/dbraw/zinc/56/55/77/1373565577.db2.gz ZMOFVOSEZHCBII-DGCLKSJQSA-N 1 0 345.168 3.017 20 5 EGBDRO Cc1cc(O[C@H]2C[C@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])cc1Br ZINC001218134594 1373566656 /nfs/dbraw/zinc/56/66/56/1373566656.db2.gz NSSLBQXOFQNPIB-JGPRNRPPSA-N 1 0 341.205 3.043 20 5 EGBDRO C[C@H]([NH3+])c1ccc(O[C@@H](C)c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC001218215432 1373579435 /nfs/dbraw/zinc/57/94/35/1373579435.db2.gz SGMJNCXOWLVLBK-QWRGUYRKSA-N 1 0 330.340 3.483 20 5 EGBDRO C[C@H](Oc1ccc2c(c1)CC[NH2+]C2)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001218214245 1373579547 /nfs/dbraw/zinc/57/95/47/1373579547.db2.gz MGPAZQTUASVNLV-NSHDSACASA-N 1 0 342.351 3.109 20 5 EGBDRO Cc1cc(O[C@@H]2C[C@H]3CC[NH2+][C@H]3C2)c([N+](=O)[O-])cc1Br ZINC001218247773 1373583473 /nfs/dbraw/zinc/58/34/73/1373583473.db2.gz DYEXCPMENWYKPW-FOGDFJRCSA-N 1 0 341.205 3.185 20 5 EGBDRO Oc1ccc(O)c2c(O[C@@H]3CCC[NH2+]C3)c3ccccc3c(O)c12 ZINC001218282717 1373588484 /nfs/dbraw/zinc/58/84/84/1373588484.db2.gz AHFQBMMFMJQGPS-LLVKDONJSA-N 1 0 325.364 3.241 20 5 EGBDRO O=[N+]([O-])c1ccc(F)c(Br)c1O[C@@H]1C[NH2+]CCC12CC2 ZINC001218403886 1373608043 /nfs/dbraw/zinc/60/80/43/1373608043.db2.gz LZISOCGWGZOAIC-SNVBAGLBSA-N 1 0 345.168 3.017 20 5 EGBDRO CC(C)(C)c1cc([N+](=O)[O-])c(O[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)c([N+](=O)[O-])c1 ZINC001218476991 1373621593 /nfs/dbraw/zinc/62/15/93/1373621593.db2.gz CFMWRPFICQXBDI-MISXGVKJSA-N 1 0 335.360 3.072 20 5 EGBDRO CC1(C)C[C@H](Oc2c(Br)cc(F)cc2[N+](=O)[O-])CC[NH2+]1 ZINC001218478468 1373621841 /nfs/dbraw/zinc/62/18/41/1373621841.db2.gz YOPIDLASFGONMN-SECBINFHSA-N 1 0 347.184 3.406 20 5 EGBDRO [NH3+]Cc1cccc(C(=O)Nc2cc3cccnc3c3ncccc23)c1 ZINC001218980098 1373674444 /nfs/dbraw/zinc/67/44/44/1373674444.db2.gz SDQXVOVDACLOHB-UHFFFAOYSA-N 1 0 328.375 3.494 20 5 EGBDRO CC(C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C2 ZINC001224097927 1375054150 /nfs/dbraw/zinc/05/41/50/1375054150.db2.gz YGIAWIYDOXGKQG-FOLVSLTJSA-N 1 0 349.387 3.423 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(O[C@H]2COCC[N@H+](Cc3ccccc3)C2)c1 ZINC001225681941 1375143587 /nfs/dbraw/zinc/14/35/87/1375143587.db2.gz HKDGBLJUWRQSAY-QGZVFWFLSA-N 1 0 342.395 3.183 20 5 EGBDRO C[N@@H+]1CCC[C@@H](Oc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC001226041306 1375193617 /nfs/dbraw/zinc/19/36/17/1375193617.db2.gz OQZDCRWVDQHAFO-LLVKDONJSA-N 1 0 329.194 3.220 20 5 EGBDRO CC(C)(C)/C=C/C(=O)NC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001226633327 1375297135 /nfs/dbraw/zinc/29/71/35/1375297135.db2.gz QKKQNZLDCDOEOP-DHZHZOJOSA-N 1 0 345.443 3.278 20 5 EGBDRO O=[N+]([O-])c1ccc(O[C@@H]2CC[N@H+](Cc3ccc(Cl)cc3)C2)cn1 ZINC001226712187 1375315450 /nfs/dbraw/zinc/31/54/50/1375315450.db2.gz JAYPFAQYNMOCNG-OAHLLOKOSA-N 1 0 333.775 3.297 20 5 EGBDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC001226906220 1375354747 /nfs/dbraw/zinc/35/47/47/1375354747.db2.gz DNUFYLUJLYJTJW-RTUWITSCSA-N 1 0 328.771 3.496 20 5 EGBDRO Cc1cccc(-c2ccccc2)c1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001229033194 1375747576 /nfs/dbraw/zinc/74/75/76/1375747576.db2.gz QKTBNMDGRJIFNA-QGZVFWFLSA-N 1 0 328.432 3.025 20 5 EGBDRO C[C@H](C[N+](C)(C)C)Oc1ccc2c(n1)CN(Cc1ccccc1)CC2 ZINC001229056264 1375753034 /nfs/dbraw/zinc/75/30/34/1375753034.db2.gz LNONREIMJSZDCO-QGZVFWFLSA-N 1 0 340.491 3.113 20 5 EGBDRO CC(C)CCCCC(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001135501437 1377120782 /nfs/dbraw/zinc/12/07/82/1377120782.db2.gz TXCJNABXZBBQIU-UHFFFAOYSA-N 1 0 327.450 3.079 20 5 EGBDRO CC[N@@H+]1C[C@H](C)N(c2ncnc3c(Cl)cc([N+](=O)[O-])cc32)C[C@H]1C ZINC001327688384 1388583509 /nfs/dbraw/zinc/58/35/09/1388583509.db2.gz PBQVOBOFOORILG-MNOVXSKESA-N 1 0 349.822 3.110 20 5 EGBDRO CC[C@H]1CC[C@H](C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001148501373 1379193616 /nfs/dbraw/zinc/19/36/16/1379193616.db2.gz LZGFNWLQCDKWOJ-KOMQPUFPSA-N 1 0 333.432 3.017 20 5 EGBDRO O=[N+]([O-])c1ccc2nc(Cl)cc(N[C@@]34CCC[C@@H]3[NH2+]CC4)c2c1 ZINC001155410867 1380448190 /nfs/dbraw/zinc/44/81/90/1380448190.db2.gz ORLACEHFXWHTEA-GOEBONIOSA-N 1 0 332.791 3.493 20 5 EGBDRO CC(C)(C)CCCC(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001155701989 1380484502 /nfs/dbraw/zinc/48/45/02/1380484502.db2.gz MFADRWYYZPPJIQ-UHFFFAOYSA-N 1 0 335.448 3.407 20 5 EGBDRO CN(C)c1cc[nH+]cc1NC(=O)c1ccnc2c1ccc1cccnc12 ZINC001155806117 1380494221 /nfs/dbraw/zinc/49/42/21/1380494221.db2.gz UQYKHFAIUBNZBB-UHFFFAOYSA-N 1 0 343.390 3.496 20 5 EGBDRO C[N@@H+]1CCC[C@H](CCNc2nc(Cl)c(Cl)cc2[N+](=O)[O-])C1 ZINC001156378469 1380567979 /nfs/dbraw/zinc/56/79/79/1380567979.db2.gz MBOFIWUYLWFPDQ-SECBINFHSA-N 1 0 333.219 3.440 20 5 EGBDRO C[C@@H]1CCCC[N@@H+]1CCCNc1cc(/C=C/N(C)C)c([N+](=O)[O-])cn1 ZINC001156928252 1380731206 /nfs/dbraw/zinc/73/12/06/1380731206.db2.gz JPOUZSOJFMSFNT-INDWDQIESA-N 1 0 347.463 3.199 20 5 EGBDRO CN(c1cc2ccc(Cl)nc2cc1[N+](=O)[O-])[C@]1(C)CCC[NH2+]C1 ZINC001156976403 1380742127 /nfs/dbraw/zinc/74/21/27/1380742127.db2.gz GJNIAHYBOQCEKK-MRXNPFEDSA-N 1 0 334.807 3.375 20 5 EGBDRO CC(C)[N@H+](C)[C@@H]1CCN(c2cc([N+](=O)[O-])cc3c(Cl)ncnc32)C1 ZINC001157020842 1380752518 /nfs/dbraw/zinc/75/25/18/1380752518.db2.gz JTWGSLPVCZKPNC-LLVKDONJSA-N 1 0 349.822 3.110 20 5 EGBDRO CC(C)(C)CN(c1cc([N+](=O)[O-])cc(Cl)n1)C1CC[NH2+]CC1 ZINC001157882597 1381058313 /nfs/dbraw/zinc/05/83/13/1381058313.db2.gz APUFKKWQDLBPQW-UHFFFAOYSA-N 1 0 326.828 3.248 20 5 EGBDRO COc1ccc2c(c1)c(CC[NH3+])c(C)n2-c1ccc([N+](=O)[O-])c(C)n1 ZINC001158292941 1381187889 /nfs/dbraw/zinc/18/78/89/1381187889.db2.gz QYBNRRHSWAVJQX-UHFFFAOYSA-N 1 0 340.383 3.060 20 5 EGBDRO Cc1ccc(CNc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)c2ccccc12 ZINC001158504758 1381270922 /nfs/dbraw/zinc/27/09/22/1381270922.db2.gz VNRPAVGIPHOSAN-UHFFFAOYSA-N 1 0 349.394 3.145 20 5 EGBDRO Cc1scc(C(=O)NCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)c1C ZINC001158784256 1381397836 /nfs/dbraw/zinc/39/78/36/1381397836.db2.gz YHHUAOLFAUBYLJ-UHFFFAOYSA-N 1 0 347.440 3.183 20 5 EGBDRO CCOC(=O)c1cc(Nc2ccccc2CC[NH3+])cc([N+](=O)[O-])c1 ZINC001159997731 1381964169 /nfs/dbraw/zinc/96/41/69/1381964169.db2.gz MNCXQQWAHCRUST-UHFFFAOYSA-N 1 0 329.356 3.016 20 5 EGBDRO Cc1ccc2c(C[C@@H](C)[NH3+])cn(-c3nc(Cl)ncc3[N+](=O)[O-])c2c1 ZINC001160004291 1381965299 /nfs/dbraw/zinc/96/52/99/1381965299.db2.gz NNLNXZAFDILHCC-SNVBAGLBSA-N 1 0 345.790 3.180 20 5 EGBDRO O=[N+]([O-])c1cccc(Nc2ccc(O[C@@H]3CC[NH2+]C3)c(F)c2)c1F ZINC001160163570 1382021059 /nfs/dbraw/zinc/02/10/59/1382021059.db2.gz CUIMJSQOIGNKEC-LLVKDONJSA-N 1 0 335.310 3.357 20 5 EGBDRO Cc1c(C)c(N(Cc2ccccc2)C[C@H](C)C[NH3+])ncc1[N+](=O)[O-] ZINC001160661520 1382163306 /nfs/dbraw/zinc/16/33/06/1382163306.db2.gz HQIBPHAZGCGIAM-CYBMUJFWSA-N 1 0 328.416 3.208 20 5 EGBDRO C[C@H](C[NH3+])CN(Cc1ccccc1)c1cc(Cl)cc([N+](=O)[O-])n1 ZINC001160662397 1382164075 /nfs/dbraw/zinc/16/40/75/1382164075.db2.gz QPDWRTWIYSKUCZ-GFCCVEGCSA-N 1 0 334.807 3.245 20 5 EGBDRO O=[N+]([O-])c1ccc2ccnc(N[C@@H]3CC[NH2+]C[C@H]3C(F)(F)F)c2c1 ZINC001160745327 1382185149 /nfs/dbraw/zinc/18/51/49/1382185149.db2.gz WCDPGQVYQFWEFK-CHWSQXEVSA-N 1 0 340.305 3.095 20 5 EGBDRO [NH3+]C1(CC2CCC2)CCN(c2cnc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC001161570166 1382442007 /nfs/dbraw/zinc/44/20/07/1382442007.db2.gz WLVHHMHDTHXHQE-UHFFFAOYSA-N 1 0 341.415 3.026 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(N2CCC([NH3+])(CC3CCC3)CC2)nc1Cl ZINC001161571841 1382442553 /nfs/dbraw/zinc/44/25/53/1382442553.db2.gz WUVZLLISZSRDGZ-UHFFFAOYSA-N 1 0 338.839 3.440 20 5 EGBDRO Cc1cc(Cl)nc(N2CCC([NH3+])(CC3CCC3)CC2)c1[N+](=O)[O-] ZINC001161571367 1382442742 /nfs/dbraw/zinc/44/27/42/1382442742.db2.gz JDMSAVMHSXHEQB-UHFFFAOYSA-N 1 0 338.839 3.440 20 5 EGBDRO CC(C)CC1(C(=O)NCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)CCC1 ZINC001162245904 1382671439 /nfs/dbraw/zinc/67/14/39/1382671439.db2.gz KLTDFDYPEFMPPO-UHFFFAOYSA-N 1 0 347.459 3.407 20 5 EGBDRO Cc1ccc(-c2ccc(N[C@@]3(C)CCC[N@@H+](C)C3)nn2)cc1[N+](=O)[O-] ZINC001162337894 1382733629 /nfs/dbraw/zinc/73/36/29/1382733629.db2.gz VNSSJSGCZCCPEM-SFHVURJKSA-N 1 0 341.415 3.256 20 5 EGBDRO COc1cnc(-n2cc(CC[NH3+])c3c2cccc3Cl)c([N+](=O)[O-])c1 ZINC001162654073 1382822700 /nfs/dbraw/zinc/82/27/00/1382822700.db2.gz MUHMGIQFJASLLH-UHFFFAOYSA-N 1 0 346.774 3.097 20 5 EGBDRO [NH3+]C[C@@H]1Cc2ccccc2CN1c1ncc([N+](=O)[O-])c2ccccc21 ZINC001162740589 1382854111 /nfs/dbraw/zinc/85/41/11/1382854111.db2.gz IEOXBOGGLWTYHR-HNNXBMFYSA-N 1 0 334.379 3.033 20 5 EGBDRO Cc1cc(N(C(C)C)C(C)(C)C[NH3+])nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001163189748 1382988227 /nfs/dbraw/zinc/98/82/27/1382988227.db2.gz YZQSGLCTNNBCFZ-UHFFFAOYSA-N 1 0 343.431 3.312 20 5 EGBDRO c1ccc2cc3c(cc2c1)ncnc3NC[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001163277871 1383011811 /nfs/dbraw/zinc/01/18/11/1383011811.db2.gz HPDATEBUHDWFOU-YCRPNKLZSA-N 1 0 348.450 3.354 20 5 EGBDRO COc1cccc([C@@H](C[NH3+])Nc2nc(Cl)c(C)cc2[N+](=O)[O-])c1 ZINC001163307152 1383017014 /nfs/dbraw/zinc/01/70/14/1383017014.db2.gz WVMVTGKHFMUUFE-GFCCVEGCSA-N 1 0 336.779 3.072 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(OC(C)C)cc1N[C@H]1CCO[C@@]2(CC[NH2+]C2)C1 ZINC001163334482 1383025220 /nfs/dbraw/zinc/02/52/20/1383025220.db2.gz WPACBVOFKZFZKU-KSSFIOAISA-N 1 0 349.431 3.013 20 5 EGBDRO CC(C)[N@@H+]1CC[C@@H](Nc2ncnc3cccc([N+](=O)[O-])c32)[C@H](C)C1 ZINC001163371461 1383035264 /nfs/dbraw/zinc/03/52/64/1383035264.db2.gz QULLNJYYUXZMQK-CHWSQXEVSA-N 1 0 329.404 3.069 20 5 EGBDRO CC(C)(C)OC(=O)c1ccc(N[C@H]2C[NH+]3CCC2CC3)cc1[N+](=O)[O-] ZINC001163395649 1383041536 /nfs/dbraw/zinc/04/15/36/1383041536.db2.gz UZRDOVOTLPGXHK-HNNXBMFYSA-N 1 0 347.415 3.056 20 5 EGBDRO COc1ncc([N+](=O)[O-])cc1-n1c(C)c(C)c2cc(C[NH3+])ccc21 ZINC001163761639 1383119195 /nfs/dbraw/zinc/11/91/95/1383119195.db2.gz RIFSJYQJVOPOPC-UHFFFAOYSA-N 1 0 326.356 3.018 20 5 EGBDRO Cc1ccccc1OCCCNc1cc2c(cc1[N+](=O)[O-])C[NH2+]C2 ZINC001163975174 1383142178 /nfs/dbraw/zinc/14/21/78/1383142178.db2.gz JNNIAYKTLFGFHV-UHFFFAOYSA-N 1 0 327.384 3.387 20 5 EGBDRO O=C(NCCC1(C[NH2+]Cc2csc([N+](=O)[O-])c2)CC1)C1=CCCC1 ZINC001164058716 1383151610 /nfs/dbraw/zinc/15/16/10/1383151610.db2.gz UJDJMNIDHZWVJU-UHFFFAOYSA-N 1 0 349.456 3.143 20 5 EGBDRO C[C@@H]1CC[C@@H](C[NH3+])N(c2cc3ccc(Cl)nc3cc2[N+](=O)[O-])C1 ZINC001164080072 1383154006 /nfs/dbraw/zinc/15/40/06/1383154006.db2.gz YUQWFJFVOYMHAQ-PWSUYJOCSA-N 1 0 334.807 3.360 20 5 EGBDRO Cc1cc(N(CCC[NH3+])C(C)C)c([N+](=O)[O-])cc1Br ZINC001164128874 1383159260 /nfs/dbraw/zinc/15/92/60/1383159260.db2.gz MNOYVYJRKLYKIS-UHFFFAOYSA-N 1 0 330.226 3.229 20 5 EGBDRO CC/C(C)=C/C(=O)NCCC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001164448650 1383187892 /nfs/dbraw/zinc/18/78/92/1383187892.db2.gz XBEBSJPDUBLOOK-NTCAYCPXSA-N 1 0 345.443 3.327 20 5 EGBDRO C[C@@H]1CC[C@@H](C[NH3+])CN1c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC001164475451 1383190554 /nfs/dbraw/zinc/19/05/54/1383190554.db2.gz ZZTDTHKJRPMFAT-KGLIPLIRSA-N 1 0 326.400 3.220 20 5 EGBDRO O=[N+]([O-])c1cc2nc(Cl)ccc2cc1N1CC[C@]2(C1)CCC[NH2+]C2 ZINC001165242600 1383256496 /nfs/dbraw/zinc/25/64/96/1383256496.db2.gz IBPQXZWKRLSEPE-QGZVFWFLSA-N 1 0 346.818 3.376 20 5 EGBDRO CCOC(=O)c1ccc(N2C(C)(C)CC([NH3+])CC2(C)C)c([N+](=O)[O-])c1 ZINC001167626809 1383692581 /nfs/dbraw/zinc/69/25/81/1383692581.db2.gz ULQSHEUNPRIQHH-UHFFFAOYSA-N 1 0 349.431 3.256 20 5 EGBDRO CC(C)CCCCC(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001168715335 1383978364 /nfs/dbraw/zinc/97/83/64/1383978364.db2.gz HJTVDDKUBRUWNF-UHFFFAOYSA-N 1 0 335.448 3.407 20 5 EGBDRO [NH3+]Cc1ccc2ncn(-c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)c2c1 ZINC001168844435 1384031002 /nfs/dbraw/zinc/03/10/02/1384031002.db2.gz LQJGZGXNEAZWBC-UHFFFAOYSA-N 1 0 336.273 3.411 20 5 EGBDRO COc1c([N+](=O)[O-])cc(Cl)c(C)c1-n1cnc2ccc(C[NH3+])cc21 ZINC001168847947 1384033265 /nfs/dbraw/zinc/03/32/65/1384033265.db2.gz OPSOYOUBTJZHOW-UHFFFAOYSA-N 1 0 346.774 3.363 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(Br)c(F)c2)C1 ZINC001168975810 1384076622 /nfs/dbraw/zinc/07/66/22/1384076622.db2.gz XHNBSOVRHLFGBY-GHMZBOCLSA-N 1 0 331.185 3.123 20 5 EGBDRO C[C@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)C(=O)Nc1ccc2ccccc2c1 ZINC001168978169 1384076781 /nfs/dbraw/zinc/07/67/81/1384076781.db2.gz PFKYPIFCATWAJJ-VBQJREDUSA-N 1 0 341.411 3.202 20 5 EGBDRO C[C@H](Cc1ccccc1Br)[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168985000 1384079242 /nfs/dbraw/zinc/07/92/42/1384079242.db2.gz BYAYTJUTGSGTGL-BZPMIXESSA-N 1 0 341.249 3.415 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]C2(c3ccccc3Br)CC2)C1 ZINC001168985583 1384079396 /nfs/dbraw/zinc/07/93/96/1384079396.db2.gz TVKGFLLGBSSFAT-RYUDHWBXSA-N 1 0 339.233 3.473 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CCc2cc(C(F)(F)F)ccc2F)C1 ZINC001168988181 1384079872 /nfs/dbraw/zinc/07/98/72/1384079872.db2.gz OTBVAMQDACMLSD-ZWNOBZJWSA-N 1 0 334.313 3.422 20 5 EGBDRO Cc1cc(Br)cc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001168986852 1384079877 /nfs/dbraw/zinc/07/98/77/1384079877.db2.gz FMZZASNYCUDRAG-RISCZKNCSA-N 1 0 327.222 3.293 20 5 EGBDRO Cc1cc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)ccc1Br ZINC001168987215 1384080406 /nfs/dbraw/zinc/08/04/06/1384080406.db2.gz HPZKCVFOMKUOCX-OLZOCXBDSA-N 1 0 327.222 3.293 20 5 EGBDRO Cc1cc(F)cc(CN2CCC([NH2+][C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)c1 ZINC001168992957 1384080892 /nfs/dbraw/zinc/08/08/92/1384080892.db2.gz LSOCDLVHHBRXGX-HNAYVOBHSA-N 1 0 349.450 3.134 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H](c2ccccc2)[C@@H](O)c2ccccc2)C1 ZINC001168997078 1384081661 /nfs/dbraw/zinc/08/16/61/1384081661.db2.gz XKERKSDGZFXBHR-XCLNPWKQSA-N 1 0 340.423 3.496 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CCc2ccsc2Br)C1 ZINC001169001004 1384083807 /nfs/dbraw/zinc/08/38/07/1384083807.db2.gz CEAMJRQIGNDQPN-GXSJLCMTSA-N 1 0 333.251 3.088 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCC(OCc3ccccc3F)CC2)C1 ZINC001169028917 1384093849 /nfs/dbraw/zinc/09/38/49/1384093849.db2.gz SUDBETSXJHKJSR-HOCLYGCPSA-N 1 0 336.407 3.252 20 5 EGBDRO COC(=O)c1ccc(C2CC[NH+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)cc1 ZINC001169035245 1384095268 /nfs/dbraw/zinc/09/52/68/1384095268.db2.gz JQKWNHNHMDHPKU-KBXCAEBGSA-N 1 0 346.427 3.098 20 5 EGBDRO CCC[N@H+]([C@@H](C)C(=O)Nc1ccccc1C)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169035482 1384095350 /nfs/dbraw/zinc/09/53/50/1384095350.db2.gz BKPTYCWPDZTCTH-YESZJQIVSA-N 1 0 347.459 3.479 20 5 EGBDRO COc1cc(C)ccc1OC1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169036447 1384096621 /nfs/dbraw/zinc/09/66/21/1384096621.db2.gz FWQKLCKCHSTZHB-JKSUJKDBSA-N 1 0 348.443 3.292 20 5 EGBDRO COc1ccc(C(=O)C2CC[NH+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)cc1 ZINC001169038017 1384097193 /nfs/dbraw/zinc/09/71/93/1384097193.db2.gz VCRATQQVVIYQEI-RHSMWYFYSA-N 1 0 346.427 3.035 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCC(n3ncc4ccccc43)CC2)C1 ZINC001169040143 1384098095 /nfs/dbraw/zinc/09/80/95/1384098095.db2.gz YFUVQLSQCYXZPC-RHSMWYFYSA-N 1 0 328.416 3.119 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCC(COc3ccc(F)cc3)CC2)C1 ZINC001169039937 1384098218 /nfs/dbraw/zinc/09/82/18/1384098218.db2.gz VZLVPBAPGOBPMP-WBVHZDCISA-N 1 0 336.407 3.362 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2CCCC3(CN(Cc4ccccc4)C3)C2)C1 ZINC001169042857 1384099633 /nfs/dbraw/zinc/09/96/33/1384099633.db2.gz GORYILDTSFQBKK-RBUKOAKNSA-N 1 0 343.471 3.030 20 5 EGBDRO C[C@H]1CCN(Cc2ccccc2)C[C@@H]1[N@H+](C)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169047467 1384100011 /nfs/dbraw/zinc/10/00/11/1384100011.db2.gz REKUVUIQGXILNI-LEAZDLGRSA-N 1 0 345.487 3.274 20 5 EGBDRO CC1(C)C[C@H](Nc2cc([N+](=O)[O-])c3nccn3c2)C[C@@](C)(C[NH3+])C1 ZINC001169146477 1384114700 /nfs/dbraw/zinc/11/47/00/1384114700.db2.gz QYAQYQWTMPUHSU-SUMWQHHRSA-N 1 0 331.420 3.198 20 5 EGBDRO CC(C)(C)c1cnc(-n2ncc3c2cccc3C[NH3+])c([N+](=O)[O-])c1 ZINC001169192179 1384121372 /nfs/dbraw/zinc/12/13/72/1384121372.db2.gz MAYCJYTUPNQYCF-UHFFFAOYSA-N 1 0 325.372 3.085 20 5 EGBDRO CCC(CC)CC(=O)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001169361993 1384140663 /nfs/dbraw/zinc/14/06/63/1384140663.db2.gz YRORHRAYJHBVEP-UHFFFAOYSA-N 1 0 327.450 3.079 20 5 EGBDRO Cc1c(Cl)nc(-c2ccc([N+](=O)[O-])cc2)nc1-n1ccc(C[NH3+])c1 ZINC001169726034 1384178734 /nfs/dbraw/zinc/17/87/34/1384178734.db2.gz SUYFGRWIHWTLON-UHFFFAOYSA-N 1 0 343.774 3.263 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+]CCc2ccc(O)cc2)c([N+](=O)[O-])c1 ZINC001170295237 1384284482 /nfs/dbraw/zinc/28/44/82/1384284482.db2.gz BRIZHEZJNUMLFB-CYBMUJFWSA-N 1 0 330.384 3.072 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+]CCc2ccccc2O)c([N+](=O)[O-])c1 ZINC001170304882 1384287212 /nfs/dbraw/zinc/28/72/12/1384287212.db2.gz HIKVNJBIRQXHSK-CYBMUJFWSA-N 1 0 330.384 3.072 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H](C)c2ccc(F)cn2)c([N+](=O)[O-])c1 ZINC001170307464 1384287317 /nfs/dbraw/zinc/28/73/17/1384287317.db2.gz GEHWQCHXICEISD-NEPJUHHUSA-N 1 0 333.363 3.419 20 5 EGBDRO CCOc1ccc(C[NH2+][C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])cn1 ZINC001170307825 1384287413 /nfs/dbraw/zinc/28/74/13/1384287413.db2.gz IKXHELXVELWGRP-CYBMUJFWSA-N 1 0 345.399 3.118 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+]Cc2ccc(F)c(OC)c2)c([N+](=O)[O-])c1 ZINC001170313060 1384288600 /nfs/dbraw/zinc/28/86/00/1384288600.db2.gz JWSMIHPCDFMVRT-LBPRGKRZSA-N 1 0 348.374 3.472 20 5 EGBDRO COc1ccc(C[C@H](C)N(CC[NH3+])c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC001170321908 1384290604 /nfs/dbraw/zinc/29/06/04/1384290604.db2.gz DUSBSUWYBYOCEU-ZDUSSCGKSA-N 1 0 347.390 3.139 20 5 EGBDRO COc1ccc(C[C@@H](C)N(CC[NH3+])c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC001170321907 1384290800 /nfs/dbraw/zinc/29/08/00/1384290800.db2.gz DUSBSUWYBYOCEU-CYBMUJFWSA-N 1 0 347.390 3.139 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH+]2CCC3(CCCOC3)CC2)c([N+](=O)[O-])c1 ZINC001170354817 1384299108 /nfs/dbraw/zinc/29/91/08/1384299108.db2.gz PSRIUVKRFDFEMJ-OAHLLOKOSA-N 1 0 348.443 3.427 20 5 EGBDRO COc1cc([N+](=O)[O-])cnc1-n1cc(C[C@H](C)[NH3+])c2ccc(C)cc21 ZINC001171163400 1384458383 /nfs/dbraw/zinc/45/83/83/1384458383.db2.gz CFBTUOSRLDMOMW-LBPRGKRZSA-N 1 0 340.383 3.140 20 5 EGBDRO [NH3+]C[C@H]1COc2ccccc2N1c1cc(Cl)ccc1/C=C/[N+](=O)[O-] ZINC001171392947 1384511245 /nfs/dbraw/zinc/51/12/45/1384511245.db2.gz ICPUQCDWBBHGNG-NPQIQWPPSA-N 1 0 345.786 3.445 20 5 EGBDRO [NH3+]C[C@H]1COc2ccccc2N1c1cc2cccnc2c([N+](=O)[O-])c1 ZINC001171393259 1384511332 /nfs/dbraw/zinc/51/13/32/1384511332.db2.gz JXOZNYQNJBKHGV-AWEZNQCLSA-N 1 0 336.351 3.001 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@@H]1c3ccccc3C[C@@H]1O)CC2 ZINC001172897039 1384873933 /nfs/dbraw/zinc/87/39/33/1384873933.db2.gz XBBCBTFJDYIKOB-FFZOFVMBSA-N 1 0 338.407 3.090 20 5 EGBDRO O=C(C[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1ccccc1F ZINC001172901225 1384874217 /nfs/dbraw/zinc/87/42/17/1384874217.db2.gz LJHIAEIGMGWBJA-OAHLLOKOSA-N 1 0 342.370 3.454 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]C1(C3CCOCC3)CC1)CC2 ZINC001172901393 1384874249 /nfs/dbraw/zinc/87/42/49/1384874249.db2.gz MRDXKYNLYJDGCQ-KRWDZBQOSA-N 1 0 330.428 3.391 20 5 EGBDRO COc1cc(C[NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)ccc1O ZINC001172899229 1384874271 /nfs/dbraw/zinc/87/42/71/1384874271.db2.gz MMJSOCJKVZNCGH-MRXNPFEDSA-N 1 0 342.395 3.346 20 5 EGBDRO CCOC(=O)C(C)(C)C[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172902976 1384874936 /nfs/dbraw/zinc/87/49/36/1384874936.db2.gz NXSZWDPNEUBTJF-OAHLLOKOSA-N 1 0 334.416 3.021 20 5 EGBDRO C[C@@H]1C[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCC[C@]1(C)O ZINC001172902934 1384875223 /nfs/dbraw/zinc/87/52/23/1384875223.db2.gz DGMSYGSCPLQFRY-BJZITVGISA-N 1 0 332.444 3.325 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]C[C@@H]1COc3cnccc31)CC2 ZINC001172905738 1384875461 /nfs/dbraw/zinc/87/54/61/1384875461.db2.gz KEGPINHISGTFJN-HZPDHXFCSA-N 1 0 339.395 3.003 20 5 EGBDRO C[C@@H]1CC[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC[C@]1(C)O ZINC001172904925 1384875515 /nfs/dbraw/zinc/87/55/15/1384875515.db2.gz BIYJEZNJQOVNCJ-BJZITVGISA-N 1 0 332.444 3.325 20 5 EGBDRO [NH3+]CCN(c1ccc(F)cc1)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172904445 1384875518 /nfs/dbraw/zinc/87/55/18/1384875518.db2.gz NQEYPTJISAUGJR-QGZVFWFLSA-N 1 0 343.402 3.447 20 5 EGBDRO CCOC(=O)C1CC[NH+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172905753 1384875610 /nfs/dbraw/zinc/87/56/10/1384875610.db2.gz UCOXGCQQGCGQRL-QGZVFWFLSA-N 1 0 346.427 3.117 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]Cc1ccc(Cl)nn1)CC2 ZINC001172911602 1384876165 /nfs/dbraw/zinc/87/61/65/1384876165.db2.gz KMGCPRHHGAKECK-CYBMUJFWSA-N 1 0 332.791 3.075 20 5 EGBDRO C[N@H+]([C@H]1CCC2(C1)OCCO2)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172914085 1384876802 /nfs/dbraw/zinc/87/68/02/1384876802.db2.gz ZAESDVKIVMAJCO-WMZOPIPTSA-N 1 0 346.427 3.070 20 5 EGBDRO CN1CC[N@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C2(CCCC2)C1 ZINC001172914047 1384877019 /nfs/dbraw/zinc/87/70/19/1384877019.db2.gz YJTCBAHFRPJHKW-SFHVURJKSA-N 1 0 343.471 3.402 20 5 EGBDRO O=C(C[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1)Nc1ccccc1 ZINC001172912928 1384877144 /nfs/dbraw/zinc/87/71/44/1384877144.db2.gz RQUFMOWFURHVGC-MRXNPFEDSA-N 1 0 339.395 3.071 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H](N1CCC[N@@H+]3CCC[C@H]3C1)CC2 ZINC001172914490 1384877225 /nfs/dbraw/zinc/87/72/25/1384877225.db2.gz GYPCATPWTHFZEX-MJGOQNOKSA-N 1 0 329.444 3.012 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH+]1CC(Oc3cccnc3)C1)CC2 ZINC001172916485 1384877521 /nfs/dbraw/zinc/87/75/21/1384877521.db2.gz SCEIBLNXCVNABH-INIZCTEOSA-N 1 0 339.395 3.000 20 5 EGBDRO O=C1CC[C@]2(CCC[N@@H+]([C@H]3CCc4ccc([N+](=O)[O-])cc4CC3)C2)O1 ZINC001172921311 1384880129 /nfs/dbraw/zinc/88/01/29/1384880129.db2.gz OFVFZZSXMUBSDR-LPHOPBHVSA-N 1 0 344.411 3.014 20 5 EGBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH2+]Cc3cccnc3)CC2)c(F)c1 ZINC001173007384 1384898139 /nfs/dbraw/zinc/89/81/39/1384898139.db2.gz MNCMJQLBZMMJJP-UHFFFAOYSA-N 1 0 348.353 3.027 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@H](C)c2cccnc2)c1F ZINC001173175097 1384931213 /nfs/dbraw/zinc/93/12/13/1384931213.db2.gz KQTQBEXIFQVLAP-VXGBXAGGSA-N 1 0 333.363 3.419 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]Cc2c(C)noc2C)c1F ZINC001173175167 1384931790 /nfs/dbraw/zinc/93/17/90/1384931790.db2.gz AOHIHGYXKAASKU-SECBINFHSA-N 1 0 337.351 3.068 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]Cc2cccc(O)c2)c1F ZINC001173177604 1384931956 /nfs/dbraw/zinc/93/19/56/1384931956.db2.gz VVJFUTHKEIZRAG-LLVKDONJSA-N 1 0 334.347 3.169 20 5 EGBDRO CCC[N@H+](CCOC)[C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173186453 1384932917 /nfs/dbraw/zinc/93/29/17/1384932917.db2.gz RWUFPAIYHCQHIH-GFCCVEGCSA-N 1 0 328.384 3.032 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C2(c3ccncc3)CC2)c1F ZINC001173188592 1384933046 /nfs/dbraw/zinc/93/30/46/1384933046.db2.gz KZDAAEDDQVUMIY-LBPRGKRZSA-N 1 0 345.374 3.347 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc2c(c1)OCCO2 ZINC001173209476 1384936630 /nfs/dbraw/zinc/93/66/30/1384936630.db2.gz CEELWRLSVZDHGC-ZDUSSCGKSA-N 1 0 328.368 3.087 20 5 EGBDRO COC(=O)c1ccc(C[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001173213941 1384936917 /nfs/dbraw/zinc/93/69/17/1384936917.db2.gz MEGIZGLGQIZFRV-ZDUSSCGKSA-N 1 0 328.368 3.102 20 5 EGBDRO COc1cc(C[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)cc(OC)c1 ZINC001173217589 1384937587 /nfs/dbraw/zinc/93/75/87/1384937587.db2.gz WVEAMLPYYCDJBA-ZDUSSCGKSA-N 1 0 330.384 3.333 20 5 EGBDRO COC(=O)c1ccc(CC[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001173218495 1384937725 /nfs/dbraw/zinc/93/77/25/1384937725.db2.gz KEEQFGLGULVKAK-AWEZNQCLSA-N 1 0 342.395 3.145 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@H]2c3ccccc3C(=O)[C@H]2C1 ZINC001173222551 1384938944 /nfs/dbraw/zinc/93/89/44/1384938944.db2.gz SYPRCJPSTDMGLP-VMDGZTHMSA-N 1 0 336.391 3.438 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1ccc2c(c1)OCCO2 ZINC001173223961 1384939068 /nfs/dbraw/zinc/93/90/68/1384939068.db2.gz CHYYELDVUGVETN-CQSZACIVSA-N 1 0 342.395 3.429 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCCC(=O)c1cccnc1 ZINC001173230550 1384940665 /nfs/dbraw/zinc/94/06/65/1384940665.db2.gz YVIMQIFMWMMGCV-AWEZNQCLSA-N 1 0 327.384 3.174 20 5 EGBDRO COC(=O)[C@H](C[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC001173229339 1384940731 /nfs/dbraw/zinc/94/07/31/1384940731.db2.gz NBDDZMZNVIVWFX-RDTXWAMCSA-N 1 0 342.395 3.072 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1(CNC(=O)OC(C)(C)C)CC1 ZINC001173231192 1384940860 /nfs/dbraw/zinc/94/08/60/1384940860.db2.gz YLIGVVVKAXTAQV-CYBMUJFWSA-N 1 0 349.431 3.173 20 5 EGBDRO CCOC(=O)[C@]1(C)CCC[N@@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173231466 1384940874 /nfs/dbraw/zinc/94/08/74/1384940874.db2.gz LJHSOELWJAIIPI-KBXCAEBGSA-N 1 0 334.416 3.191 20 5 EGBDRO CCOC(=O)[C@H]1CCCC[N@@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173232342 1384941535 /nfs/dbraw/zinc/94/15/35/1384941535.db2.gz FHXCXVJSWIIXCZ-HOCLYGCPSA-N 1 0 334.416 3.191 20 5 EGBDRO Cc1ccnc(N2CC[NH+]([C@H](C)Cc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC001173233312 1384941776 /nfs/dbraw/zinc/94/17/76/1384941776.db2.gz KSDOXVCUSKNWAO-MRXNPFEDSA-N 1 0 340.427 3.051 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N(C)CC(=O)OCc1ccccc1 ZINC001173236014 1384941931 /nfs/dbraw/zinc/94/19/31/1384941931.db2.gz DLDIMQHXTVXJFE-HNNXBMFYSA-N 1 0 342.395 3.201 20 5 EGBDRO CCOC(=O)C[C@@H]1CC[N@@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC001173237035 1384942325 /nfs/dbraw/zinc/94/23/25/1384942325.db2.gz GWHXNTJJWIPHSQ-VYDXJSESSA-N 1 0 348.443 3.437 20 5 EGBDRO CC[C@H](Cc1ccc(F)cc1)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001336001048 1388986780 /nfs/dbraw/zinc/98/67/80/1388986780.db2.gz ONUXTQKBXRHVCE-SJLPKXTDSA-N 1 0 332.375 3.378 20 5 EGBDRO O=C(/C=C\C1CC1)NCCCCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001178109972 1386130730 /nfs/dbraw/zinc/13/07/30/1386130730.db2.gz MXCLPKARZMNQQA-XFXZXTDPSA-N 1 0 345.443 3.327 20 5 EGBDRO C/C=C(/C)C(=O)NCCCCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001178149207 1386143026 /nfs/dbraw/zinc/14/30/26/1386143026.db2.gz IGRQVBBBJOTCSA-CQPUUCJISA-N 1 0 333.432 3.327 20 5 EGBDRO CC[C@]1(CO)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Br ZINC001320893862 1386750629 /nfs/dbraw/zinc/75/06/29/1386750629.db2.gz CCIQEJCIYWFLCY-CQSZACIVSA-N 1 0 343.221 3.094 20 5 EGBDRO Cc1n[nH]c(=O)c(C[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)c1C ZINC001322650084 1387219282 /nfs/dbraw/zinc/21/92/82/1387219282.db2.gz JKOBQMMLXKAONP-UHFFFAOYSA-N 1 0 330.388 3.120 20 5 EGBDRO Cc1cncc([N+](=O)[O-])c1N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001322723164 1387230700 /nfs/dbraw/zinc/23/07/00/1387230700.db2.gz PMMXBHCYKGLTMH-KRWDZBQOSA-N 1 0 340.427 3.399 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1-c1noc([C@H]2C[C@]23CCC[NH2+]C3)n1 ZINC001329950606 1389270432 /nfs/dbraw/zinc/27/04/32/1389270432.db2.gz OLTVGNFBBXJLPE-DYVFJYSZSA-N 1 0 328.372 3.119 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCCC[N@H+]2CCCC[C@@H]2C)c1C ZINC001331565638 1389803609 /nfs/dbraw/zinc/80/36/09/1389803609.db2.gz JNPGTXNOBKIEFX-AWEZNQCLSA-N 1 0 333.432 3.206 20 5 EGBDRO CC(C)c1ccc(C(=O)NCc2ccccc2C[NH3+])cc1[N+](=O)[O-] ZINC001331943738 1389920498 /nfs/dbraw/zinc/92/04/98/1389920498.db2.gz ZRIWAZIFEHHMBN-UHFFFAOYSA-N 1 0 327.384 3.107 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)c2ncnc(N[C@H]3CC[N@@H+]4CCC[C@H]4C3)c2c1 ZINC001333670909 1390370321 /nfs/dbraw/zinc/37/03/21/1390370321.db2.gz ASBAFSPIYNFRKQ-QWRGUYRKSA-N 1 0 347.806 3.230 20 5 EGBDRO CCC/C(C)=C\C(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001340882590 1390394699 /nfs/dbraw/zinc/39/46/99/1390394699.db2.gz RFJDUMWTBBUPFH-OWBHPGMISA-N 1 0 346.431 3.032 20 5 EGBDRO CN(C)c1ccc(CC[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC001346503300 1390947467 /nfs/dbraw/zinc/94/74/67/1390947467.db2.gz DNZONCQFBIPNEC-SFHVURJKSA-N 1 0 325.412 3.480 20 5 EGBDRO O=C(C=C1CCC1)NC1(C[NH2+]Cc2csc([N+](=O)[O-])c2)CCCC1 ZINC001753501936 1440423638 /nfs/dbraw/zinc/42/36/38/1440423638.db2.gz CKQCQQHQORQWCK-UHFFFAOYSA-N 1 0 349.456 3.285 20 5 EGBDRO CCCCC(=O)NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC001753661068 1440458707 /nfs/dbraw/zinc/45/87/07/1440458707.db2.gz YUNUKZIFFSKFNK-UHFFFAOYSA-N 1 0 333.432 3.304 20 5 EGBDRO C[NH+](C)CC1CCN(c2nc(Cl)c(Cl)cc2[N+](=O)[O-])CC1 ZINC001165041848 721944137 /nfs/dbraw/zinc/94/41/37/721944137.db2.gz GWGCDQRRNOUJRD-UHFFFAOYSA-N 1 0 333.219 3.075 20 5 EGBDRO Cc1cccc(C[C@@H](CO)[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)c1 ZINC000786578178 1126110034 /nfs/dbraw/zinc/11/00/34/1126110034.db2.gz BSUWUDCUIBFDIH-HNNXBMFYSA-N 1 0 334.803 3.250 20 5 EGBDRO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)CC1(O)CCCCCC1 ZINC000187364470 530022796 /nfs/dbraw/zinc/02/27/96/530022796.db2.gz WBJUEZNIUJFESO-UHFFFAOYSA-N 1 0 333.388 3.253 20 5 EGBDRO C[C@@H](NC(=O)c1cc(F)ccc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181677451 234280750 /nfs/dbraw/zinc/28/07/50/234280750.db2.gz GQDUUKGTKYHCHG-OLZOCXBDSA-N 1 0 349.406 3.117 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)N([C@H](C)C2CC2)C2CC2)cc1[N+](=O)[O-] ZINC000181809403 234331198 /nfs/dbraw/zinc/33/11/98/234331198.db2.gz OOYLSBFRBBOLLM-UONOGXRCSA-N 1 0 345.443 3.343 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H](Cc2ccccc2)C2CC2)c1 ZINC000183419162 235063114 /nfs/dbraw/zinc/06/31/14/235063114.db2.gz MJRQAXCNEKQJCW-RBUKOAKNSA-N 1 0 326.396 3.239 20 5 EGBDRO Cc1csc([C@@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C2CC2)n1 ZINC000183565296 235143789 /nfs/dbraw/zinc/14/37/89/235143789.db2.gz HAZKULWCMVGJBT-GJZGRUSLSA-N 1 0 333.413 3.134 20 5 EGBDRO CCCN(CCC[NH+](C)C)C(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000347910049 283221644 /nfs/dbraw/zinc/22/16/44/283221644.db2.gz RSDXWGCCZBCISB-ZDUSSCGKSA-N 1 0 339.411 3.028 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)CCC(F)(F)F ZINC000063562348 201050196 /nfs/dbraw/zinc/05/01/96/201050196.db2.gz GMQYWYCVNTXAJN-UHFFFAOYSA-N 1 0 333.310 3.116 20 5 EGBDRO CC(C)[NH+](CCNc1c(Br)cncc1[N+](=O)[O-])C(C)C ZINC000231628692 201046744 /nfs/dbraw/zinc/04/67/44/201046744.db2.gz FTIHSZBSXITIIU-UHFFFAOYSA-N 1 0 345.241 3.283 20 5 EGBDRO COCC(C)(C)[N@H+](C)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000292105129 201342201 /nfs/dbraw/zinc/34/22/01/201342201.db2.gz IJLYZOZBZGZXQT-UHFFFAOYSA-N 1 0 331.210 3.214 20 5 EGBDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000247020735 243355243 /nfs/dbraw/zinc/35/52/43/243355243.db2.gz QLXAJHHCJDKPSE-HZPDHXFCSA-N 1 0 345.443 3.321 20 5 EGBDRO CCCO[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000247095277 243371551 /nfs/dbraw/zinc/37/15/51/243371551.db2.gz JIWBLUWDFNPOLC-RHSMWYFYSA-N 1 0 349.431 3.203 20 5 EGBDRO O=C(NCCC[NH+]1CCCC1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000073002464 203254100 /nfs/dbraw/zinc/25/41/00/203254100.db2.gz BSEGHSROFBOWLU-UHFFFAOYSA-N 1 0 333.413 3.025 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCC[C@H]4CCC[C@@H]43)n2)c1 ZINC000075769429 203323495 /nfs/dbraw/zinc/32/34/95/203323495.db2.gz UOTROFSSKYPMDG-DOMZBBRYSA-N 1 0 328.372 3.409 20 5 EGBDRO CCCO[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000108398097 204261649 /nfs/dbraw/zinc/26/16/49/204261649.db2.gz ZZGRLHIWECPJDY-HNNXBMFYSA-N 1 0 349.431 3.205 20 5 EGBDRO C[NH+](C)C[C@@H]1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000125498389 205013175 /nfs/dbraw/zinc/01/31/75/205013175.db2.gz OSFKCGHQVJEGCZ-AWEZNQCLSA-N 1 0 329.400 3.238 20 5 EGBDRO CC[C@@H]([NH2+]CCc1nnc2n1CCCCC2)c1cccc([N+](=O)[O-])c1 ZINC000126647711 205066433 /nfs/dbraw/zinc/06/64/33/205066433.db2.gz BKPWFVDYRPKAGF-MRXNPFEDSA-N 1 0 343.431 3.196 20 5 EGBDRO Cc1c(NC(=O)CC[NH+]2Cc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000155473502 206010706 /nfs/dbraw/zinc/01/07/06/206010706.db2.gz HJXJNGCUXCVSDW-UHFFFAOYSA-N 1 0 325.368 3.248 20 5 EGBDRO Cn1nccc1[C@H]1CCC[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000376080653 168864712 /nfs/dbraw/zinc/86/47/12/168864712.db2.gz JMOLSRSEZXXANP-HOTGVXAUSA-N 1 0 328.416 3.187 20 5 EGBDRO COC(=O)C1CC[NH+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000159212648 206231086 /nfs/dbraw/zinc/23/10/86/206231086.db2.gz LBVVJDVJGMVHTP-UHFFFAOYSA-N 1 0 344.367 3.240 20 5 EGBDRO C[C@H](Cn1ccnc1)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000264968948 247095228 /nfs/dbraw/zinc/09/52/28/247095228.db2.gz QHUFSEYLFBMPKU-GFCCVEGCSA-N 1 0 343.412 3.093 20 5 EGBDRO CC(C)N(CC[NH+](C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000163345719 206449148 /nfs/dbraw/zinc/44/91/48/206449148.db2.gz ADXFIZVKIKIENV-UHFFFAOYSA-N 1 0 328.800 3.052 20 5 EGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000266523866 248344328 /nfs/dbraw/zinc/34/43/28/248344328.db2.gz JKUNSTORXSQYPC-ZIAGYGMSSA-N 1 0 341.415 3.073 20 5 EGBDRO CC[NH+](CC)C[C@H]1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000174879594 207069019 /nfs/dbraw/zinc/06/90/19/207069019.db2.gz KNZSDIZDCKDWSY-CYBMUJFWSA-N 1 0 325.840 3.412 20 5 EGBDRO O=C(NCCC[NH+]1CCCCCC1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000175086105 207091405 /nfs/dbraw/zinc/09/14/05/207091405.db2.gz POZJZQZDBDAUOQ-UHFFFAOYSA-N 1 0 339.823 3.244 20 5 EGBDRO CC(C)[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)/C=C/c1ccccc1[N+](=O)[O-])C2 ZINC000175039702 207088044 /nfs/dbraw/zinc/08/80/44/207088044.db2.gz ABCHMILGAQXKGR-NGXUEJOTSA-N 1 0 343.427 3.082 20 5 EGBDRO C[C@@H]1C[C@@H](NC(=O)c2csc([N+](=O)[O-])c2)C[N@@H+]1Cc1ccccc1 ZINC000177448163 207339203 /nfs/dbraw/zinc/33/92/03/207339203.db2.gz UEWMYFYZKVCROL-IUODEOHRSA-N 1 0 345.424 3.049 20 5 EGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@](C)(O)c1cccs1 ZINC000268952530 255502663 /nfs/dbraw/zinc/50/26/63/255502663.db2.gz CPJYQYNVCFWTJY-SUMWQHHRSA-N 1 0 334.441 3.475 20 5 EGBDRO Cc1cccc(CN(CC[NH+](C)C)C(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000103114194 140867468 /nfs/dbraw/zinc/86/74/68/140867468.db2.gz ZXNUYFRFFSRIQU-UHFFFAOYSA-N 1 0 341.411 3.107 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246831134 141038051 /nfs/dbraw/zinc/03/80/51/141038051.db2.gz OCWITYOQGKNKHN-KSSFIOAISA-N 1 0 345.443 3.052 20 5 EGBDRO COc1ccc(C[NH2+][C@@H](C)c2ccc([S@](C)=O)cc2)cc1[N+](=O)[O-] ZINC000339499043 141123225 /nfs/dbraw/zinc/12/32/25/141123225.db2.gz BHYLWRLZNRXDOA-MCFWBGNESA-N 1 0 348.424 3.192 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000347947287 141223184 /nfs/dbraw/zinc/22/31/84/141223184.db2.gz XXZUODXCVMHAJN-OAHLLOKOSA-N 1 0 333.432 3.123 20 5 EGBDRO C[C@H](NC(=O)c1cccc(C[NH+](C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000172616570 144024407 /nfs/dbraw/zinc/02/44/07/144024407.db2.gz YLQTWZKUCGOJBY-ZDUSSCGKSA-N 1 0 327.384 3.147 20 5 EGBDRO COc1cccc(NC[C@@H](c2ccco2)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000185099279 144104693 /nfs/dbraw/zinc/10/46/93/144104693.db2.gz VPEUINBJHXZHOR-AWEZNQCLSA-N 1 0 331.372 3.445 20 5 EGBDRO C[C@@H]1C[C@@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC[N@@H+]1C ZINC000344633076 144202133 /nfs/dbraw/zinc/20/21/33/144202133.db2.gz QSBVAVYWRILRAS-HIFRSBDPSA-N 1 0 329.400 3.427 20 5 EGBDRO CNC(=O)c1cccc(C[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)c1 ZINC000344886515 144237158 /nfs/dbraw/zinc/23/71/58/144237158.db2.gz VJKQPQXWZWRKDR-ZROIWOOFSA-N 1 0 339.395 3.148 20 5 EGBDRO COCC[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)C[C@@H]1CC=CCC1 ZINC000361679069 144349484 /nfs/dbraw/zinc/34/94/84/144349484.db2.gz SUEOTXWNSMNCQD-OAHLLOKOSA-N 1 0 334.416 3.408 20 5 EGBDRO CN(Cc1cnn(C)c1)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000119684609 152222108 /nfs/dbraw/zinc/22/21/08/152222108.db2.gz PVHANMBEPRCVMU-UHFFFAOYSA-N 1 0 326.356 3.220 20 5 EGBDRO CCn1nc(C)c([N+](=O)[O-])c1NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000192642293 153252725 /nfs/dbraw/zinc/25/27/25/153252725.db2.gz OEPVURJTYMQXPT-AWEZNQCLSA-N 1 0 345.447 3.442 20 5 EGBDRO Cc1cc(NC[C@H]2CC[N@H+](Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000192953751 153270884 /nfs/dbraw/zinc/27/08/84/153270884.db2.gz XLQQRLCJRMRMFX-MRXNPFEDSA-N 1 0 326.400 3.232 20 5 EGBDRO CCO[C@@H]1C[C@H](O)C12CC[NH+]([C@H](C)c1cc([N+](=O)[O-])ccc1C)CC2 ZINC000305830273 286411422 /nfs/dbraw/zinc/41/14/22/286411422.db2.gz NWKKZMORXLJQGD-FHLIZLRMSA-N 1 0 348.443 3.216 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(N[C@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000301640376 154024014 /nfs/dbraw/zinc/02/40/14/154024014.db2.gz QZCYLUVGLVFKBO-INIZCTEOSA-N 1 0 326.400 3.375 20 5 EGBDRO C[C@H]1CCC[C@@](CNc2nc3sccn3c2[N+](=O)[O-])([NH+](C)C)C1 ZINC000319967963 154162607 /nfs/dbraw/zinc/16/26/07/154162607.db2.gz BVVXWJYUZWUTMU-XHDPSFHLSA-N 1 0 337.449 3.226 20 5 EGBDRO CCc1cc(OC)ccc1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000337505639 154387247 /nfs/dbraw/zinc/38/72/47/154387247.db2.gz OSHLPQSTYLRUDE-UHFFFAOYSA-N 1 0 344.415 3.199 20 5 EGBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000345543701 156136911 /nfs/dbraw/zinc/13/69/11/156136911.db2.gz QVUORXWGRNLOIB-NSHDSACASA-N 1 0 327.812 3.098 20 5 EGBDRO Cc1cc(C(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)cc([N+](=O)[O-])c1 ZINC000346820910 156150703 /nfs/dbraw/zinc/15/07/03/156150703.db2.gz IXJODQHVQRVOLS-HNNXBMFYSA-N 1 0 341.411 3.154 20 5 EGBDRO CCO[C@@H]1C[C@H]([NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])[C@]12CCCO2 ZINC000368707642 157270335 /nfs/dbraw/zinc/27/03/35/157270335.db2.gz NYZUMQYPYSJUTC-ZWQIFLOQSA-N 1 0 348.443 3.232 20 5 EGBDRO CCOc1cc(C[N@@H+]2CCC3(CCOCC3)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000372811977 157389234 /nfs/dbraw/zinc/38/92/34/157389234.db2.gz MXRIDNHLVXABTB-AWEZNQCLSA-N 1 0 334.416 3.385 20 5 EGBDRO C[C@@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000093480769 162013107 /nfs/dbraw/zinc/01/31/07/162013107.db2.gz CRFLUSMCZBJGGT-KGLIPLIRSA-N 1 0 328.416 3.473 20 5 EGBDRO C[C@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccccc1 ZINC000109146838 162095411 /nfs/dbraw/zinc/09/54/11/162095411.db2.gz VTMKLSHDCXEGRS-SUMWQHHRSA-N 1 0 325.368 3.051 20 5 EGBDRO C[C@@H](c1ccccc1F)[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000338345734 163218307 /nfs/dbraw/zinc/21/83/07/163218307.db2.gz QVUWBOZKUBFRDI-DZGCQCFKSA-N 1 0 348.374 3.167 20 5 EGBDRO COC(=O)c1ccccc1C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338347990 163218644 /nfs/dbraw/zinc/21/86/44/163218644.db2.gz BCOCMMDLICORQI-UHFFFAOYSA-N 1 0 328.368 3.056 20 5 EGBDRO C[C@@H](C[C@H]1CCCO1)[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000338710578 163326541 /nfs/dbraw/zinc/32/65/41/163326541.db2.gz WQTOSWKITBLNMS-SUMWQHHRSA-N 1 0 344.415 3.043 20 5 EGBDRO C[C@@H]([NH2+][C@@H](CC(=O)N(C)C)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000343909659 164063897 /nfs/dbraw/zinc/06/38/97/164063897.db2.gz AEOQYKAHHXRADN-KDOFPFPSSA-N 1 0 341.411 3.465 20 5 EGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@H]2COc3ccccc32)n1 ZINC000343931902 164068413 /nfs/dbraw/zinc/06/84/13/164068413.db2.gz MYTBMXADOLKRAK-NUEKZKHPSA-N 1 0 342.399 3.041 20 5 EGBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000344586285 164194348 /nfs/dbraw/zinc/19/43/48/164194348.db2.gz RLWHWAVHONRMMD-SOLBZPMBSA-N 1 0 347.459 3.311 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC(O)(Cc3ccc(F)cc3)CC2)cc1 ZINC000360630568 167374248 /nfs/dbraw/zinc/37/42/48/167374248.db2.gz VIWXCTKQWWNGKD-UHFFFAOYSA-N 1 0 344.386 3.304 20 5 EGBDRO COc1ccccc1[C@H](CNc1nc(C)ccc1[N+](=O)[O-])[NH+](C)C ZINC000360668644 167383337 /nfs/dbraw/zinc/38/33/37/167383337.db2.gz IPGORSWOWFXQOV-HNNXBMFYSA-N 1 0 330.388 3.022 20 5 EGBDRO C[C@H]1CC(=O)NCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000367669411 168257251 /nfs/dbraw/zinc/25/72/51/168257251.db2.gz KPIIFKXNFNXZTB-LBPRGKRZSA-N 1 0 345.424 3.034 20 5 EGBDRO CCOC(=O)c1cc(NC2CC[NH+](C(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000122448489 222090754 /nfs/dbraw/zinc/09/07/54/222090754.db2.gz ICHCVWNYZIUWJL-UHFFFAOYSA-N 1 0 349.431 3.446 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)c(NCC2CC[NH+](CCO)CC2)c(Cl)c1 ZINC000123931847 222354905 /nfs/dbraw/zinc/35/49/05/222354905.db2.gz LCBITZPXGQJMSJ-UHFFFAOYSA-N 1 0 348.230 3.018 20 5 EGBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@@H](c2ccccc2)c2ccc(F)cc2)n1 ZINC000176238107 265164841 /nfs/dbraw/zinc/16/48/41/265164841.db2.gz YWBUHOIOCBWVLP-SFHVURJKSA-N 1 0 340.358 3.310 20 5 EGBDRO O=[N+]([O-])c1cccc(F)c1CN1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000179499231 265378970 /nfs/dbraw/zinc/37/89/70/265378970.db2.gz NFOAFJHFKDBARG-GFCCVEGCSA-N 1 0 345.378 3.109 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](CC1CCC1)C(C)C ZINC000193216528 266016487 /nfs/dbraw/zinc/01/64/87/266016487.db2.gz RPIVZYUWVBQDFS-UHFFFAOYSA-N 1 0 349.431 3.443 20 5 EGBDRO CC[NH+](CC)[C@H](CNC(=O)c1c(C)cccc1[N+](=O)[O-])CC(C)C ZINC000194702217 266137942 /nfs/dbraw/zinc/13/79/42/266137942.db2.gz QJOGGQONEIVPNO-HNNXBMFYSA-N 1 0 335.448 3.390 20 5 EGBDRO Cc1ccncc1C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000269569385 266319156 /nfs/dbraw/zinc/31/91/56/266319156.db2.gz AIRHPLQMKFPVPY-UHFFFAOYSA-N 1 0 327.384 3.342 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC000269686852 266341189 /nfs/dbraw/zinc/34/11/89/266341189.db2.gz NLJXPOUIEDZSPF-HNNXBMFYSA-N 1 0 333.432 3.001 20 5 EGBDRO C[NH+](C)CCCC1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000270983591 266584903 /nfs/dbraw/zinc/58/49/03/266584903.db2.gz SCALZCBLXSQEJE-MDZDMXLPSA-N 1 0 345.443 3.188 20 5 EGBDRO COC1(C)CC[NH+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000271681673 266705441 /nfs/dbraw/zinc/70/54/41/266705441.db2.gz CNWUPFFDXKJDCM-GFCCVEGCSA-N 1 0 346.387 3.207 20 5 EGBDRO Cc1cccc([C@H](C)[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000273500141 267049175 /nfs/dbraw/zinc/04/91/75/267049175.db2.gz YOESFSJARJYTNW-AWEZNQCLSA-N 1 0 348.424 3.028 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]C1CCC2(CC1)OCCO2 ZINC000274197663 267196910 /nfs/dbraw/zinc/19/69/10/267196910.db2.gz JUFRSFGLDUQFHL-UHFFFAOYSA-N 1 0 340.807 3.066 20 5 EGBDRO C[C@H](NC(=O)c1ccc(F)cc1[N+](=O)[O-])[C@@H](c1ccccc1)[NH+](C)C ZINC000274570787 267255339 /nfs/dbraw/zinc/25/53/39/267255339.db2.gz ATEXCLLASSSJSA-SJCJKPOMSA-N 1 0 345.374 3.155 20 5 EGBDRO CO[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000275209718 267330337 /nfs/dbraw/zinc/33/03/37/267330337.db2.gz JMQCTPXTBGKAPF-KCPJHIHWSA-N 1 0 346.387 3.253 20 5 EGBDRO CO[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000275209724 267330523 /nfs/dbraw/zinc/33/05/23/267330523.db2.gz JMQCTPXTBGKAPF-NILFDRSVSA-N 1 0 346.387 3.253 20 5 EGBDRO C[C@@H]1C[C@H](Nc2cc(C(F)(F)F)ncc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000278356809 267994223 /nfs/dbraw/zinc/99/42/23/267994223.db2.gz JYJCKZRULVIUON-BDAKNGLRSA-N 1 0 330.310 3.046 20 5 EGBDRO O=[N+]([O-])c1cnc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(Cl)c1 ZINC000161874233 275041236 /nfs/dbraw/zinc/04/12/36/275041236.db2.gz WWQFDMAGIXPSMG-IAQYHMDHSA-N 1 0 336.823 3.096 20 5 EGBDRO CC(C)(C)[S@@](=O)CC[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000278966001 275291759 /nfs/dbraw/zinc/29/17/59/275291759.db2.gz BPYWHFGXJVPRAU-WNSKOXEYSA-N 1 0 338.473 3.454 20 5 EGBDRO CC[C@H](C)NC(=O)CC[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279163739 275309066 /nfs/dbraw/zinc/30/90/66/275309066.db2.gz UGWCDUDHJWOWEL-LRDDRELGSA-N 1 0 333.432 3.212 20 5 EGBDRO CC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000279303220 275320913 /nfs/dbraw/zinc/32/09/13/275320913.db2.gz QMMIJDABRYQERK-BZPMIXESSA-N 1 0 335.404 3.099 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C3CC3)CC2)c(Br)c1 ZINC000281180537 275528145 /nfs/dbraw/zinc/52/81/45/275528145.db2.gz LUEYVDITXIABHY-UHFFFAOYSA-N 1 0 340.221 3.078 20 5 EGBDRO C[C@H]([NH2+][C@@H]1CCC[C@H]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000283419906 275721190 /nfs/dbraw/zinc/72/11/90/275721190.db2.gz GOYAGDUESTUKIX-GBIKHYSHSA-N 1 0 325.796 3.353 20 5 EGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCO[C@@H]1c1cccnc1 ZINC000284545350 275808825 /nfs/dbraw/zinc/80/88/25/275808825.db2.gz HCDAYGFAFZURTL-UCLAIMLFSA-N 1 0 341.411 3.431 20 5 EGBDRO C[C@H]([NH2+][C@@H](C)c1ccc2c(c1)OCC(=O)N2)c1cccc([N+](=O)[O-])c1 ZINC000285998600 275938891 /nfs/dbraw/zinc/93/88/91/275938891.db2.gz IMUVJXLAGWBTNN-RYUDHWBXSA-N 1 0 341.367 3.338 20 5 EGBDRO CC1CC[NH+](C[C@@H]2CCCN(c3ccc(N)cc3[N+](=O)[O-])C2)CC1 ZINC000286229470 275967231 /nfs/dbraw/zinc/96/72/31/275967231.db2.gz LRDOEEUGRLGQRI-HNNXBMFYSA-N 1 0 332.448 3.125 20 5 EGBDRO CC(=O)c1cc(N2CCC[N@@H+](C3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000287291613 276105100 /nfs/dbraw/zinc/10/51/00/276105100.db2.gz MFDSEEXKZUOGGG-UHFFFAOYSA-N 1 0 331.416 3.252 20 5 EGBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2c2ccc([N+](=O)[O-])c3cnccc32)C1 ZINC000269083536 277183299 /nfs/dbraw/zinc/18/32/99/277183299.db2.gz GHSXKWNXUVFXLV-CJNGLKHVSA-N 1 0 326.400 3.064 20 5 EGBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccccc1-n1ccnn1 ZINC000353526855 277620750 /nfs/dbraw/zinc/62/07/50/277620750.db2.gz JQTIJQBOUKEJOW-CQSZACIVSA-N 1 0 337.383 3.069 20 5 EGBDRO CC(C)c1ccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000190173799 278026804 /nfs/dbraw/zinc/02/68/04/278026804.db2.gz MWARWFFAVWFHRK-DOTOQJQBSA-N 1 0 345.443 3.275 20 5 EGBDRO CS[C@H]1CN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000340198330 278167955 /nfs/dbraw/zinc/16/79/55/278167955.db2.gz AUPUMOFXBASEFF-STQMWFEESA-N 1 0 349.378 3.095 20 5 EGBDRO C[C@@H]([NH2+]C1CCN(CC(F)(F)F)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000178651218 278335936 /nfs/dbraw/zinc/33/59/36/278335936.db2.gz MRLSBJDOZGVLTH-LLVKDONJSA-N 1 0 331.338 3.272 20 5 EGBDRO CC[C@@H]([NH2+]CC(=O)N(C)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000159296071 280184682 /nfs/dbraw/zinc/18/46/82/280184682.db2.gz PNEUOXWJMBJDJS-QGZVFWFLSA-N 1 0 333.432 3.427 20 5 EGBDRO Cc1c(Br)c(N[C@H](C)C[N@@H+](C)C(C)C)ncc1[N+](=O)[O-] ZINC000312745235 280199199 /nfs/dbraw/zinc/19/91/99/280199199.db2.gz VJQRVAGBTNOTIJ-SECBINFHSA-N 1 0 345.241 3.201 20 5 EGBDRO O=[N+]([O-])c1cc(F)c(CN2CCC[C@@H]2C[NH+]2CCCCC2)c(F)c1 ZINC000352024107 280359301 /nfs/dbraw/zinc/35/93/01/280359301.db2.gz DFCXAQLBZGMFMT-CYBMUJFWSA-N 1 0 339.386 3.323 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(N2CCCC2=O)CC1 ZINC000182747990 281021492 /nfs/dbraw/zinc/02/14/92/281021492.db2.gz JBNAOEWISJAYEK-AWEZNQCLSA-N 1 0 331.416 3.051 20 5 EGBDRO Cc1ccccc1[C@H]([C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000357848573 281389023 /nfs/dbraw/zinc/38/90/23/281389023.db2.gz JPBPVBDBXGSJEE-KSSFIOAISA-N 1 0 341.411 3.324 20 5 EGBDRO Cc1cnc(CC[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])nc1 ZINC000358381064 292891873 /nfs/dbraw/zinc/89/18/73/292891873.db2.gz YVCQHTSCAFPZRT-NVXWUHKLSA-N 1 0 340.427 3.237 20 5 EGBDRO O=[N+]([O-])c1cccc(C[NH2+]CCOc2ncc(Cl)cc2Cl)c1 ZINC000134474536 307687692 /nfs/dbraw/zinc/68/76/92/307687692.db2.gz KCSGGSJWXPKHFG-UHFFFAOYSA-N 1 0 342.182 3.465 20 5 EGBDRO CC[C@@H]([NH2+]C[C@@H](O)COc1cccc(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000152921869 307761922 /nfs/dbraw/zinc/76/19/22/307761922.db2.gz OEBGUSBLUJVGAL-IEBWSBKVSA-N 1 0 344.411 3.384 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@H](C)[C@@H]2CCCC[C@H]21 ZINC000248418289 308002672 /nfs/dbraw/zinc/00/26/72/308002672.db2.gz KFBLGIYXUCNLQG-DUVNUKRYSA-N 1 0 347.415 3.052 20 5 EGBDRO CC(C)CN(C(=O)/C=C\c1ccccc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000255160749 308042468 /nfs/dbraw/zinc/04/24/68/308042468.db2.gz PEMIHWOUISYSEK-HJWRWDBZSA-N 1 0 345.443 3.187 20 5 EGBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000255305219 308045926 /nfs/dbraw/zinc/04/59/26/308045926.db2.gz WGNXHOUODPATSU-CGQZWFTASA-N 1 0 343.427 3.085 20 5 EGBDRO C[C@H]([NH2+]C[C@H](c1ccco1)N1CCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293720401 308155639 /nfs/dbraw/zinc/15/56/39/308155639.db2.gz MLVFFGJRSXYHKZ-SUMWQHHRSA-N 1 0 344.415 3.258 20 5 EGBDRO C[C@H]1CN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC[N@@H+](C2CC2)C1 ZINC000294897778 308269100 /nfs/dbraw/zinc/26/91/00/308269100.db2.gz HVIJVDJHVMPQIT-LLVKDONJSA-N 1 0 341.358 3.117 20 5 EGBDRO Cc1nccnc1CC[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000295002993 308280292 /nfs/dbraw/zinc/28/02/92/308280292.db2.gz MCOFCOLSLUQGSG-YJBOKZPZSA-N 1 0 340.427 3.237 20 5 EGBDRO Cc1cc(Cl)c(C(=O)N2CCC[N@@H+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000295240337 308306392 /nfs/dbraw/zinc/30/63/92/308306392.db2.gz LOVZPEWASSQOMN-UHFFFAOYSA-N 1 0 339.823 3.113 20 5 EGBDRO C[C@@H]1[C@H](CO)CCC[N@@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000414589465 309090956 /nfs/dbraw/zinc/09/09/56/309090956.db2.gz WWNZZLLCXIDUTN-HIFRSBDPSA-N 1 0 330.384 3.448 20 5 EGBDRO CC(C)C[C@H]([NH3+])c1noc(Cn2ccc3cc([N+](=O)[O-])ccc32)n1 ZINC000414615873 309091711 /nfs/dbraw/zinc/09/17/11/309091711.db2.gz JCXRKIYXYACIKB-ZDUSSCGKSA-N 1 0 329.360 3.027 20 5 EGBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1c1nccc2cc([N+](=O)[O-])ccc21 ZINC000295663826 308348379 /nfs/dbraw/zinc/34/83/79/308348379.db2.gz IPFOCKJGIIKBFW-XJKSGUPXSA-N 1 0 326.400 3.206 20 5 EGBDRO C[NH2+][C@@H]1CCN(Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000414653843 309093654 /nfs/dbraw/zinc/09/36/54/309093654.db2.gz IMENIJZARQIOLG-MRXNPFEDSA-N 1 0 340.427 3.156 20 5 EGBDRO CC(C)c1nc(C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)no1 ZINC000299689324 308684485 /nfs/dbraw/zinc/68/44/85/308684485.db2.gz SUJSXVGDJINKEW-UHFFFAOYSA-N 1 0 330.388 3.481 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(CNC[C@H]3CCC[NH2+]3)o2)c(Cl)c1 ZINC000414841799 309104962 /nfs/dbraw/zinc/10/49/62/309104962.db2.gz HZLAZFINFUNAAF-LLVKDONJSA-N 1 0 335.791 3.350 20 5 EGBDRO Cc1cc(N2CCC(CCC[NH+]3CCCC3)CC2)ncc1[N+](=O)[O-] ZINC000301811996 308716373 /nfs/dbraw/zinc/71/63/73/308716373.db2.gz XYUCSKIJFDTDCR-UHFFFAOYSA-N 1 0 332.448 3.391 20 5 EGBDRO C[NH+](C)[C@@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2OC(F)F)C1 ZINC000302166115 308731649 /nfs/dbraw/zinc/73/16/49/308731649.db2.gz RLWZACGTDLCHDG-GHMZBOCLSA-N 1 0 329.347 3.481 20 5 EGBDRO C[NH+](C)[C@@H](CNc1c2c(ccc1[N+](=O)[O-])NCC2)Cc1ccccc1 ZINC000302819998 308746994 /nfs/dbraw/zinc/74/69/94/308746994.db2.gz CWKKLVSWNTZQEJ-OAHLLOKOSA-N 1 0 340.427 3.148 20 5 EGBDRO CC(C)[C@H](C(=O)N(C)Cc1ccccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000330612239 308796902 /nfs/dbraw/zinc/79/69/02/308796902.db2.gz WYKYAJSUFSVEIR-QGZVFWFLSA-N 1 0 333.432 3.064 20 5 EGBDRO CC(=O)N[C@@H](C)C1CC[NH+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000331159177 308802728 /nfs/dbraw/zinc/80/27/28/308802728.db2.gz ZQQVRKZCZJFSSF-KBPBESRZSA-N 1 0 333.432 3.201 20 5 EGBDRO Cc1cc(=O)n(Cc2cccc(C[NH+]3CCCCC3)c2)cc1[N+](=O)[O-] ZINC000412999286 309011557 /nfs/dbraw/zinc/01/15/57/309011557.db2.gz LGBNBAHHGMIHED-UHFFFAOYSA-N 1 0 341.411 3.099 20 5 EGBDRO C[C@H]1CCC[N@H+](CCNc2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000413063729 309014129 /nfs/dbraw/zinc/01/41/29/309014129.db2.gz SMYDWPJVWKLZQV-JTQLQIEISA-N 1 0 332.326 3.152 20 5 EGBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1nccc2ccc([N+](=O)[O-])cc21 ZINC000413280006 309024960 /nfs/dbraw/zinc/02/49/60/309024960.db2.gz JVRTZIYQARTHGW-CZUORRHYSA-N 1 0 326.400 3.206 20 5 EGBDRO O=[N+]([O-])c1cc(CN[C@H]2CCC[NH2+]C2)ccc1Oc1ccc(F)cc1 ZINC000414871687 309106522 /nfs/dbraw/zinc/10/65/22/309106522.db2.gz VFYOBRLDZMMNIN-HNNXBMFYSA-N 1 0 345.374 3.368 20 5 EGBDRO COc1ccc(C[NH2+][C@@H]2CCCc3cc(N)ccc32)cc1[N+](=O)[O-] ZINC000414916398 309109228 /nfs/dbraw/zinc/10/92/28/309109228.db2.gz OGOWWEMNKHYCMB-MRXNPFEDSA-N 1 0 327.384 3.353 20 5 EGBDRO CC1(C)C[NH2+]CC[C@H]1NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000414982181 309112718 /nfs/dbraw/zinc/11/27/18/309112718.db2.gz YPAYTQOHCUMMJA-QGZVFWFLSA-N 1 0 329.400 3.333 20 5 EGBDRO [NH3+]CC[C@@H](NCc1ccc(-c2ccccc2[N+](=O)[O-])o1)C(F)(F)F ZINC000415047183 309116361 /nfs/dbraw/zinc/11/63/61/309116361.db2.gz AQAHEZORYSROBD-CQSZACIVSA-N 1 0 343.305 3.224 20 5 EGBDRO [NH3+][C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1c1ccccc1F ZINC000415121843 309121703 /nfs/dbraw/zinc/12/17/03/309121703.db2.gz KUKGQUWIHAUYEM-WMLDXEAASA-N 1 0 349.793 3.314 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCC[NH2+]C1CCCCCC1 ZINC000415510054 309135633 /nfs/dbraw/zinc/13/56/33/309135633.db2.gz XYILYVXZDYOHMA-UHFFFAOYSA-N 1 0 334.420 3.337 20 5 EGBDRO CO[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417349808 309202547 /nfs/dbraw/zinc/20/25/47/309202547.db2.gz MQMYWAVLJIDIDI-ZTFGCOKTSA-N 1 0 334.416 3.003 20 5 EGBDRO CC(C)(NC(=O)N[C@@H](C[NH3+])C1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000418376201 309244564 /nfs/dbraw/zinc/24/45/64/309244564.db2.gz IGXKNGHDRQJOJP-HNNXBMFYSA-N 1 0 348.447 3.037 20 5 EGBDRO CCC([NH3+])(CC)CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000418445216 309246502 /nfs/dbraw/zinc/24/65/02/309246502.db2.gz XUWAJWRALNPFMR-UHFFFAOYSA-N 1 0 336.436 3.032 20 5 EGBDRO Cc1cc(N2CC[C@H]3CC[C@@H](C2)[NH2+]3)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420207748 309277180 /nfs/dbraw/zinc/27/71/80/309277180.db2.gz XKCIDGXTRIQZFO-MNOVXSKESA-N 1 0 329.322 3.253 20 5 EGBDRO Cc1cc(N[C@H](CC[NH3+])C(F)F)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420271884 309278988 /nfs/dbraw/zinc/27/89/88/309278988.db2.gz WBOIMEAOOGHGQQ-MRVPVSSYSA-N 1 0 327.253 3.316 20 5 EGBDRO C[NH+](C)C1CCC(Nc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1 ZINC000420628961 309290893 /nfs/dbraw/zinc/29/08/93/309290893.db2.gz QCAPNNWRLBNMIJ-UHFFFAOYSA-N 1 0 340.427 3.363 20 5 EGBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CCC[C@@H](CCO)CC2)c1 ZINC000421391252 309322221 /nfs/dbraw/zinc/32/22/21/309322221.db2.gz AEKAJQBSPAMOCV-GFCCVEGCSA-N 1 0 344.358 3.181 20 5 EGBDRO CN(Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C[C@@H]1CCC[N@@H+]1C ZINC000421409723 309323489 /nfs/dbraw/zinc/32/34/89/309323489.db2.gz NGTLDNYIOBDPCZ-INIZCTEOSA-N 1 0 329.400 3.381 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2NCCc3ccccc32)cc1[N+](=O)[O-] ZINC000423417600 309399393 /nfs/dbraw/zinc/39/93/93/309399393.db2.gz HBZIAWMSIIVORW-RDTXWAMCSA-N 1 0 325.412 3.441 20 5 EGBDRO C[C@H](CC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)[C@@H]1CCC[NH2+]C1 ZINC000423730116 309410857 /nfs/dbraw/zinc/41/08/57/309410857.db2.gz VXWWFDJJOHQQFW-GDBMZVCRSA-N 1 0 345.443 3.112 20 5 EGBDRO C[C@H](CC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)C1CC[NH2+]CC1 ZINC000423728713 309410909 /nfs/dbraw/zinc/41/09/09/309410909.db2.gz UADIASDUCKNBJT-CQSZACIVSA-N 1 0 345.443 3.112 20 5 EGBDRO COC(=O)CC1CC([NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000424285829 309436448 /nfs/dbraw/zinc/43/64/48/309436448.db2.gz VCJADKRCUAUKRH-UHFFFAOYSA-N 1 0 346.305 3.045 20 5 EGBDRO COCC(C)(C)[NH+]1CCN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000425501983 309483249 /nfs/dbraw/zinc/48/32/49/309483249.db2.gz GCXBRQRFNVZKGT-HNNXBMFYSA-N 1 0 335.448 3.007 20 5 EGBDRO CC[C@H]1CCC[C@@H]1[NH2+]CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000429775413 309589701 /nfs/dbraw/zinc/58/97/01/309589701.db2.gz WYZBXAUUQLJBST-JSGCOSHPSA-N 1 0 335.404 3.100 20 5 EGBDRO CC1(C)C[C@@H]([NH2+]CCCOC[C@H]2CCCO2)c2cc([N+](=O)[O-])ccc21 ZINC000433165545 309680286 /nfs/dbraw/zinc/68/02/86/309680286.db2.gz CHBLWPULTJONSR-CRAIPNDOSA-N 1 0 348.443 3.493 20 5 EGBDRO CN(CC[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)CC(F)(F)F ZINC000433172724 309680671 /nfs/dbraw/zinc/68/06/71/309680671.db2.gz DGOYIAHIVFGJDS-AWEZNQCLSA-N 1 0 345.365 3.401 20 5 EGBDRO Cc1c(CC(=O)N2CC[NH+](CCC(C)(C)C)CC2)cccc1[N+](=O)[O-] ZINC000439109659 309826516 /nfs/dbraw/zinc/82/65/16/309826516.db2.gz GREQQSZTNBHAKT-UHFFFAOYSA-N 1 0 347.459 3.026 20 5 EGBDRO COc1ccc(C[NH2+]CCc2ccc3[nH]ccc3c2)cc1[N+](=O)[O-] ZINC000441211415 309864831 /nfs/dbraw/zinc/86/48/31/309864831.db2.gz YEWVUVOLLQTFFM-UHFFFAOYSA-N 1 0 325.368 3.417 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]Cc1ccncc1OCC(F)F ZINC000441355094 309869172 /nfs/dbraw/zinc/86/91/72/309869172.db2.gz XYAITCGFRRFAOT-HYXAFXHYSA-N 1 0 349.337 3.437 20 5 EGBDRO CC(C)(CC1CCCCCC1)[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000444800016 309930961 /nfs/dbraw/zinc/93/09/61/309930961.db2.gz JBLINBWRWKDHHB-UHFFFAOYSA-N 1 0 335.448 3.485 20 5 EGBDRO COc1ccccc1CC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447509981 309980163 /nfs/dbraw/zinc/98/01/63/309980163.db2.gz OCPGHKLUVLKXGV-CVEARBPZSA-N 1 0 344.415 3.116 20 5 EGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(OCC2CC2)nc1 ZINC000449111673 310037940 /nfs/dbraw/zinc/03/79/40/310037940.db2.gz AOWBWGPPFMPFPJ-AWEZNQCLSA-N 1 0 341.411 3.499 20 5 EGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCOc1ccc(F)cc1F ZINC000449127918 310038952 /nfs/dbraw/zinc/03/89/52/310038952.db2.gz QTENEXJHWUJBBI-GFCCVEGCSA-N 1 0 336.338 3.473 20 5 EGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccc(N2CCC2=O)c1 ZINC000449305786 310052016 /nfs/dbraw/zinc/05/20/16/310052016.db2.gz UBPDJZGPACONAC-CQSZACIVSA-N 1 0 339.395 3.052 20 5 EGBDRO CCOC(=O)c1cc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)[nH]c1C ZINC000449312534 310052693 /nfs/dbraw/zinc/05/26/93/310052693.db2.gz MNUDIKHKMVAHIP-UHFFFAOYSA-N 1 0 345.399 3.083 20 5 EGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](CO)c1ccc(F)cc1 ZINC000449380487 310057664 /nfs/dbraw/zinc/05/76/64/310057664.db2.gz NKTUMFSYVFELMQ-CXAGYDPISA-N 1 0 332.375 3.378 20 5 EGBDRO CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449512191 310068203 /nfs/dbraw/zinc/06/82/03/310068203.db2.gz OTJMDSNEROLGEG-BMFZPTHFSA-N 1 0 334.416 3.237 20 5 EGBDRO CC(C)(C)c1ccc(C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000449636114 310076571 /nfs/dbraw/zinc/07/65/71/310076571.db2.gz CXHBPGJANKJGAJ-TZMCWYRMSA-N 1 0 333.432 3.140 20 5 EGBDRO CC(C)(C)O[C@@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])[C@@H]1n1cccn1 ZINC000449652137 310077708 /nfs/dbraw/zinc/07/77/08/310077708.db2.gz ARMPHUMTQSPZLD-UAGQMJEPSA-N 1 0 344.415 3.078 20 5 EGBDRO CCO[C@@H]1CCCC[C@H]1[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000449757226 310084864 /nfs/dbraw/zinc/08/48/64/310084864.db2.gz CTVVGXPVZCTJGB-KBRIMQKVSA-N 1 0 349.431 3.249 20 5 EGBDRO O=[N+]([O-])c1cccc2c1ccnc2NC1CC[NH+](CC2CC2)CC1 ZINC000450266059 310111855 /nfs/dbraw/zinc/11/18/55/310111855.db2.gz NJIBOEUHBNLZQI-UHFFFAOYSA-N 1 0 326.400 3.429 20 5 EGBDRO C[NH+](C)[C@H]1CCCN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)C1 ZINC000450305980 310114478 /nfs/dbraw/zinc/11/44/78/310114478.db2.gz RPERJBQWHAGWSF-AWEZNQCLSA-N 1 0 332.429 3.249 20 5 EGBDRO C[C@@H]1C[C@@H](Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CC[N@@H+]1C ZINC000450353680 310117461 /nfs/dbraw/zinc/11/74/61/310117461.db2.gz GFWRUIPZQPMOSR-YPMHNXCESA-N 1 0 332.429 3.035 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2csc(N3CC[C@H]([NH+]4CC=CC4)C3)n2)cc1 ZINC000450355369 310117569 /nfs/dbraw/zinc/11/75/69/310117569.db2.gz QOSMQWAUEYFGCQ-HNNXBMFYSA-N 1 0 342.424 3.169 20 5 EGBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(c2nccc3c2cccc3[N+](=O)[O-])C[C@@H](C)C1 ZINC000450542810 310129112 /nfs/dbraw/zinc/12/91/12/310129112.db2.gz VOAJQADHNKATPS-DEYYWGMASA-N 1 0 340.427 3.310 20 5 EGBDRO Cc1cc(N2C[C@H]3CC[N@@H+](C)[C@H]3C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000450780133 310142354 /nfs/dbraw/zinc/14/23/54/310142354.db2.gz PFXLLIOPDWSQFC-YGRLFVJLSA-N 1 0 329.322 3.062 20 5 EGBDRO C[C@H]([NH2+]CC(=O)N(C)[C@H]1CCCC[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000451104062 310160822 /nfs/dbraw/zinc/16/08/22/310160822.db2.gz JMXXISLXIUUZNH-KEYYUXOJSA-N 1 0 333.432 3.283 20 5 EGBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@@H](c2ccc(F)c(Cl)c2)C2CC2)n1 ZINC000451357055 310173958 /nfs/dbraw/zinc/17/39/58/310173958.db2.gz SGKZDRGJYJPEDJ-OAHLLOKOSA-N 1 0 338.770 3.325 20 5 EGBDRO CCC[C@H]([NH2+]CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C(C)(C)C ZINC000451439402 310178513 /nfs/dbraw/zinc/17/85/13/310178513.db2.gz OAVUJGGJUSTPJQ-HNNXBMFYSA-N 1 0 337.420 3.346 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H]1CCC12CCCC2 ZINC000451459421 310179360 /nfs/dbraw/zinc/17/93/60/310179360.db2.gz QHGFDNAQSIRHPR-INIZCTEOSA-N 1 0 347.415 3.244 20 5 EGBDRO CO[C@@]1(C)C[C@@H]([NH2+]CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1(C)C ZINC000451492196 310181054 /nfs/dbraw/zinc/18/10/54/310181054.db2.gz QKSXJCPZHBWLFY-QAPCUYQASA-N 1 0 349.431 3.025 20 5 EGBDRO O=C(CC[N@@H+]1CCC[C@]2(CCSC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000451965218 310205644 /nfs/dbraw/zinc/20/56/44/310205644.db2.gz KFCZWMVMZKIIMT-KRWDZBQOSA-N 1 0 349.456 3.143 20 5 EGBDRO O=C(CC[N@@H+]1CCC[C@]2(CCSC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000451972275 310206142 /nfs/dbraw/zinc/20/61/42/310206142.db2.gz MSLGHCJVYHFTOG-KRWDZBQOSA-N 1 0 349.456 3.143 20 5 EGBDRO COc1ccc2c(c1)C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)CO2 ZINC000453063622 310255439 /nfs/dbraw/zinc/25/54/39/310255439.db2.gz FBDHJYVXMDCXDN-SWLSCSKDSA-N 1 0 328.368 3.258 20 5 EGBDRO Cc1cccnc1CCC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000453310040 310270357 /nfs/dbraw/zinc/27/03/57/310270357.db2.gz QNVJJKLBSDSCBN-IAGOWNOFSA-N 1 0 343.431 3.201 20 5 EGBDRO C[NH+](C)CCCC(C)(C)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000456175541 310392080 /nfs/dbraw/zinc/39/20/80/310392080.db2.gz UVULULWLQWDBTD-UHFFFAOYSA-N 1 0 327.812 3.098 20 5 EGBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000456331248 310398913 /nfs/dbraw/zinc/39/89/13/310398913.db2.gz OTWILMIPFUZXTN-YHWZYXNKSA-N 1 0 349.456 3.062 20 5 EGBDRO CO[C@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)C12CCC2 ZINC000459724318 310571004 /nfs/dbraw/zinc/57/10/04/310571004.db2.gz ANIHQMCSIFSNPD-KBPBESRZSA-N 1 0 342.342 3.243 20 5 EGBDRO Cc1cc(N2CCC([NH+](C)C)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461781453 310592723 /nfs/dbraw/zinc/59/27/23/310592723.db2.gz XGWOTIIYFIWAFP-UHFFFAOYSA-N 1 0 331.338 3.452 20 5 EGBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](CC(C)C)[NH+](C)C ZINC000462769804 310605359 /nfs/dbraw/zinc/60/53/59/310605359.db2.gz ZMDAEKCZOGHJQQ-SJLPKXTDSA-N 1 0 349.475 3.256 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(N2CC[NH+](C3CCC(C)CC3)CC2)c1 ZINC000462847214 310606649 /nfs/dbraw/zinc/60/66/49/310606649.db2.gz DSRDUFYQOJSTPR-UHFFFAOYSA-N 1 0 333.432 3.304 20 5 EGBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(CC[NH+](C)C)CC(C)C ZINC000462995210 310608052 /nfs/dbraw/zinc/60/80/52/310608052.db2.gz SPCGKTVZDYWGCA-KRWDZBQOSA-N 1 0 349.475 3.210 20 5 EGBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(CC[NH+](C)C)CC(C)C ZINC000462995211 310608077 /nfs/dbraw/zinc/60/80/77/310608077.db2.gz SPCGKTVZDYWGCA-QGZVFWFLSA-N 1 0 349.475 3.210 20 5 EGBDRO CCC(CC)[C@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)N1CCOCC1 ZINC000467832382 310678644 /nfs/dbraw/zinc/67/86/44/310678644.db2.gz QUKPVBJPTGVSEU-BEFAXECRSA-N 1 0 349.475 3.382 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccnc(-n2cccn2)c1 ZINC000468620690 310691408 /nfs/dbraw/zinc/69/14/08/310691408.db2.gz KGICPPSTAPBLJX-XNTDXEJSSA-N 1 0 349.394 3.369 20 5 EGBDRO Cc1c([C@@H](C)[NH2+]C[C@@H](CC(C)C)N2CCOCC2)cccc1[N+](=O)[O-] ZINC000480272011 310892094 /nfs/dbraw/zinc/89/20/94/310892094.db2.gz BFWHKCLNSSJQDK-IAGOWNOFSA-N 1 0 349.475 3.301 20 5 EGBDRO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CCc1ccccc1 ZINC000488565442 311071566 /nfs/dbraw/zinc/07/15/66/311071566.db2.gz GPNRUKPCOFHKIZ-UHFFFAOYSA-N 1 0 341.411 3.488 20 5 EGBDRO CCOc1cc(N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000488722046 311076445 /nfs/dbraw/zinc/07/64/45/311076445.db2.gz NFTYUNIQNHPTIL-JJRVBVJISA-N 1 0 333.432 3.160 20 5 EGBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(c2ccc([N+](=O)[O-])c3cccnc32)C[C@@H](C)C1 ZINC000488739808 311077533 /nfs/dbraw/zinc/07/75/33/311077533.db2.gz XAFGKCHKQJEVSR-LBTNJELSSA-N 1 0 340.427 3.310 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@H](Oc3ncccc3F)C2)cc1 ZINC000488975982 311087576 /nfs/dbraw/zinc/08/75/76/311087576.db2.gz HLXSTQZZGUVGOL-INIZCTEOSA-N 1 0 345.374 3.215 20 5 EGBDRO C[S@@](=O)c1ccc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])cc1 ZINC000492196289 311225527 /nfs/dbraw/zinc/22/55/27/311225527.db2.gz YLXZBFZWALQLTA-HSZRJFAPSA-N 1 0 332.425 3.357 20 5 EGBDRO C[C@H]([NH2+]Cc1cccc(N2CCOC2=O)c1)c1ccc([N+](=O)[O-])cc1 ZINC000493445026 311376917 /nfs/dbraw/zinc/37/69/17/311376917.db2.gz PLVKHNGFLOPHJW-ZDUSSCGKSA-N 1 0 341.367 3.402 20 5 EGBDRO CC(C)(C)OC(=O)N1CC2(CC([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000496284966 311690046 /nfs/dbraw/zinc/69/00/46/311690046.db2.gz QAUDFFDXTBDIGY-UHFFFAOYSA-N 1 0 347.415 3.084 20 5 EGBDRO CCCC[N@H+](CCO)Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000505842411 312036362 /nfs/dbraw/zinc/03/63/62/312036362.db2.gz IZKDOEFPDJMUAF-UHFFFAOYSA-N 1 0 348.399 3.458 20 5 EGBDRO C[C@@]1(NC(=O)c2csc([N+](=O)[O-])c2)CC[N@H+](Cc2ccccc2)C1 ZINC000516974011 312355433 /nfs/dbraw/zinc/35/54/33/312355433.db2.gz OERMDKAHHPOQRD-QGZVFWFLSA-N 1 0 345.424 3.051 20 5 EGBDRO CC(C)Oc1nc(N2CC[C@@H](C[NH+]3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000517245887 312371856 /nfs/dbraw/zinc/37/18/56/312371856.db2.gz FDQNBDOGNANAIF-HNNXBMFYSA-N 1 0 348.447 3.089 20 5 EGBDRO CC[C@H](c1ccc(F)cc1)[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000523438119 312620799 /nfs/dbraw/zinc/62/07/99/312620799.db2.gz MLZSZXZJAUGRHL-QGZVFWFLSA-N 1 0 344.390 3.402 20 5 EGBDRO COC(C)(C)C[C@@H](C)[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000532522578 313811108 /nfs/dbraw/zinc/81/11/08/313811108.db2.gz GTOBZHBADSMLPU-QWHCGFSZSA-N 1 0 337.420 3.105 20 5 EGBDRO C[NH+](C)CC1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000535233196 314033540 /nfs/dbraw/zinc/03/35/40/314033540.db2.gz JMSDFJLRRDJLRK-UHFFFAOYSA-N 1 0 331.338 3.392 20 5 EGBDRO COC(=O)[C@@H](c1ccccc1)N(C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000536683304 314138454 /nfs/dbraw/zinc/13/84/54/314138454.db2.gz VLBIYASHRNWNCH-XSZJWBAASA-N 1 0 340.379 3.454 20 5 EGBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000537956373 314219515 /nfs/dbraw/zinc/21/95/15/314219515.db2.gz OELFELPMVOTKKM-DZGCQCFKSA-N 1 0 347.415 3.003 20 5 EGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCc2n[nH]cc2C1 ZINC000539064142 314293700 /nfs/dbraw/zinc/29/37/00/314293700.db2.gz DHEMFXLDWCIOEW-ZIAGYGMSSA-N 1 0 346.456 3.336 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3ccnc4ccccc34)C2)nc1 ZINC000539838274 314343956 /nfs/dbraw/zinc/34/39/56/314343956.db2.gz QIDMNUAFMBRKJG-HNNXBMFYSA-N 1 0 349.394 3.224 20 5 EGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1nnc(C)s1 ZINC000540953447 314423460 /nfs/dbraw/zinc/42/34/60/314423460.db2.gz DQVRIZCNPMXIME-LLVKDONJSA-N 1 0 338.458 3.415 20 5 EGBDRO Cc1cc(NCC2([C@H](C)CCO)CCC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000542119497 314518480 /nfs/dbraw/zinc/51/84/80/314518480.db2.gz FMHTZOMHSQDEBX-CYBMUJFWSA-N 1 0 343.427 3.474 20 5 EGBDRO CCC(CC)(CCO)CNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000543047453 314600703 /nfs/dbraw/zinc/60/07/03/314600703.db2.gz XNKGJQZSUKRLDH-UHFFFAOYSA-N 1 0 331.416 3.474 20 5 EGBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000550748513 315133924 /nfs/dbraw/zinc/13/39/24/315133924.db2.gz KNOUYBQKBKMUDA-HNNXBMFYSA-N 1 0 347.459 3.253 20 5 EGBDRO CCOC1(C[NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000550885420 315136738 /nfs/dbraw/zinc/13/67/38/315136738.db2.gz GRDRTZFBCZABRC-CQSZACIVSA-N 1 0 349.431 3.251 20 5 EGBDRO CCN(CC[NH+]1CCCCCC1)C(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000558051943 315548435 /nfs/dbraw/zinc/54/84/35/315548435.db2.gz IRDLEPRCAWCEIU-MRXNPFEDSA-N 1 0 347.459 3.423 20 5 EGBDRO C[C@H]1CCC[C@@]1(O)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000561057532 315737588 /nfs/dbraw/zinc/73/75/88/315737588.db2.gz JVUVFFGGXSRXFZ-SCLBCKFNSA-N 1 0 330.384 3.496 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](c1ccccc1)C(C)(C)CO ZINC000562067098 315798627 /nfs/dbraw/zinc/79/86/27/315798627.db2.gz VREQDQUCDLKXMA-GOSISDBHSA-N 1 0 344.411 3.453 20 5 EGBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCN(C(C)(C)C)C2=O)cc1[N+](=O)[O-] ZINC000563127421 315962384 /nfs/dbraw/zinc/96/23/84/315962384.db2.gz XEFYEJCOOXCXOU-TZMCWYRMSA-N 1 0 349.431 3.044 20 5 EGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCN1CCc2ccccc2C1 ZINC000563417945 316018239 /nfs/dbraw/zinc/01/82/39/316018239.db2.gz NCIZPVUAHKQUDN-IBGZPJMESA-N 1 0 337.423 3.230 20 5 EGBDRO CC[NH2+]CCCNC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000564947271 316235998 /nfs/dbraw/zinc/23/59/98/316235998.db2.gz FXWGFMKHWIVQJL-UHFFFAOYSA-N 1 0 342.399 3.068 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@H](CO)c1cccc(F)c1)CCC2 ZINC000566745184 316521287 /nfs/dbraw/zinc/52/12/87/316521287.db2.gz FUCRSENGTFHYMA-ZWKOTPCHSA-N 1 0 330.359 3.435 20 5 EGBDRO Cc1cc(N2CC[C@@]3(CC[N@@H+](C)C3)C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000571891224 317262674 /nfs/dbraw/zinc/26/26/74/317262674.db2.gz QAIOTMMSGXOYJI-OAHLLOKOSA-N 1 0 343.349 3.454 20 5 EGBDRO CC1(C)C[C@@H]([NH2+]C[C@@H](CO)Cc2ccco2)c2cc([N+](=O)[O-])ccc21 ZINC000572820196 317396172 /nfs/dbraw/zinc/39/61/72/317396172.db2.gz AJRWVBALEJWUBO-SCLBCKFNSA-N 1 0 344.411 3.351 20 5 EGBDRO C[C@H](CC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)[C@@H]1CCC[NH2+]C1 ZINC000573327487 317470049 /nfs/dbraw/zinc/47/00/49/317470049.db2.gz MSXFXKWTALMVFK-GDBMZVCRSA-N 1 0 345.443 3.112 20 5 EGBDRO C[C@@H]([NH2+]CC(=O)N1c2ccccc2C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000180427107 323439982 /nfs/dbraw/zinc/43/99/82/323439982.db2.gz PCDHJYPZUXPHIF-UONOGXRCSA-N 1 0 339.395 3.223 20 5 EGBDRO Cc1cc(C)cc([C@H](C)[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000182910457 323582441 /nfs/dbraw/zinc/58/24/41/323582441.db2.gz AOSGTASUKRLAHJ-MAUKXSAKSA-N 1 0 344.411 3.302 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C ZINC000192803536 323826525 /nfs/dbraw/zinc/82/65/25/323826525.db2.gz RRYDKDVEONGIEF-UMVBOHGHSA-N 1 0 349.431 3.346 20 5 EGBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000575184681 324433076 /nfs/dbraw/zinc/43/30/76/324433076.db2.gz ZXSKTPHSLXSUPU-CQSZACIVSA-N 1 0 347.459 3.061 20 5 EGBDRO CN(C)[C@H](C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])Cc1ccccc1 ZINC000577506942 324819900 /nfs/dbraw/zinc/81/99/00/324819900.db2.gz LJNMJHONHSRKRJ-QFBILLFUSA-N 1 0 339.439 3.345 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@@H](CO)C3CCCC3)o2)c1 ZINC000578988400 325046779 /nfs/dbraw/zinc/04/67/79/325046779.db2.gz JWPPWPVGAXZSIR-KRWDZBQOSA-N 1 0 330.384 3.496 20 5 EGBDRO O=[N+]([O-])c1cccc(OCC[N@H+]2CCCC[C@@H]2[C@H]2CCCC[C@@H]2O)c1 ZINC000579430956 325107603 /nfs/dbraw/zinc/10/76/03/325107603.db2.gz BIBJOTCYJJRGBO-QRVBRYPASA-N 1 0 348.443 3.379 20 5 EGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@H](CO)Cc1ccccc1 ZINC000579859592 325169670 /nfs/dbraw/zinc/16/96/70/325169670.db2.gz YHEBQLCQXLEQTE-YJBOKZPZSA-N 1 0 326.396 3.023 20 5 EGBDRO CC[NH+]1CCC(CNc2ccc([N+](=O)[O-])cc2OC(F)F)CC1 ZINC000581400458 325357775 /nfs/dbraw/zinc/35/77/75/325357775.db2.gz NFBZVBDJSBECKF-UHFFFAOYSA-N 1 0 329.347 3.340 20 5 EGBDRO C[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000180864818 455257098 /nfs/dbraw/zinc/25/70/98/455257098.db2.gz NPQJHEYOSCXIBE-UONOGXRCSA-N 1 0 346.431 3.369 20 5 EGBDRO COCCc1nc(C)c([C@@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)s1 ZINC000181413202 455331402 /nfs/dbraw/zinc/33/14/02/455331402.db2.gz YAGVERMKMXHEQY-GFCCVEGCSA-N 1 0 349.456 3.442 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181478968 455340757 /nfs/dbraw/zinc/34/07/57/455340757.db2.gz ADJZXUCKMWEURN-GJZGRUSLSA-N 1 0 345.443 3.286 20 5 EGBDRO O=C(Nc1ccccc1)[C@@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000012284638 453353651 /nfs/dbraw/zinc/35/36/51/453353651.db2.gz KHDODWRDJUPYDP-MRXNPFEDSA-N 1 0 339.395 3.446 20 5 EGBDRO COC(=O)c1cc(-c2ccc3c(c2)C[NH2+][C@H](C)C3)cc([N+](=O)[O-])c1 ZINC000600787633 460604144 /nfs/dbraw/zinc/60/41/44/460604144.db2.gz CCPIXQROGXQVQQ-LLVKDONJSA-N 1 0 326.352 3.083 20 5 EGBDRO CCc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2)[NH+](C)C)cc1 ZINC000018017103 453641038 /nfs/dbraw/zinc/64/10/38/453641038.db2.gz BVRPOKNJYNDCQV-SFHVURJKSA-N 1 0 341.411 3.190 20 5 EGBDRO COc1ccc(NC(=O)C[N@H+](C)C2CCCCCC2)c([N+](=O)[O-])c1 ZINC000029166235 453826975 /nfs/dbraw/zinc/82/69/75/453826975.db2.gz OOJHCTJONKMVAX-UHFFFAOYSA-N 1 0 335.404 3.197 20 5 EGBDRO Cc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 ZINC000030003482 453833215 /nfs/dbraw/zinc/83/32/15/453833215.db2.gz KAPUBDSENFMIOJ-QGZVFWFLSA-N 1 0 339.395 3.339 20 5 EGBDRO CC[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000030143857 453833820 /nfs/dbraw/zinc/83/38/20/453833820.db2.gz ZZZFUSAAFXPWSF-STQMWFEESA-N 1 0 335.404 3.052 20 5 EGBDRO Cc1ncsc1C[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000066565203 453851967 /nfs/dbraw/zinc/85/19/67/453851967.db2.gz COYGLAAZVNPOGO-UHFFFAOYSA-N 1 0 348.428 3.129 20 5 EGBDRO CC[NH+](CC)CCC[C@H](C)NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000075475948 453896788 /nfs/dbraw/zinc/89/67/88/453896788.db2.gz FBUQDUQXCNPVEW-VOMSXAGXSA-N 1 0 333.432 3.235 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000067055358 453897593 /nfs/dbraw/zinc/89/75/93/453897593.db2.gz DJNGVOIPODUOMK-UHFFFAOYSA-N 1 0 343.383 3.096 20 5 EGBDRO CC[NH+](CC)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)c1ccco1 ZINC000067274334 453916429 /nfs/dbraw/zinc/91/64/29/453916429.db2.gz CFGGHURNIDZKAL-OAHLLOKOSA-N 1 0 349.362 3.140 20 5 EGBDRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000067276817 453917224 /nfs/dbraw/zinc/91/72/24/453917224.db2.gz GWOAQALVTMACLT-HNNXBMFYSA-N 1 0 331.372 3.001 20 5 EGBDRO CC(=O)Nc1cccc2c1CC[N@H+](CCc1ccc([N+](=O)[O-])cc1)C2 ZINC000054393096 453928280 /nfs/dbraw/zinc/92/82/80/453928280.db2.gz SZRWPUFBNOMUBB-UHFFFAOYSA-N 1 0 339.395 3.154 20 5 EGBDRO C[C@H]1CSCC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000190842748 455390218 /nfs/dbraw/zinc/39/02/18/455390218.db2.gz BMEBGPYJARPKDP-CYBMUJFWSA-N 1 0 346.456 3.180 20 5 EGBDRO C[N@@H+]1CCC[C@H](CNc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000044537708 454105622 /nfs/dbraw/zinc/10/56/22/454105622.db2.gz GZHWXAFJNXNTOV-SNVBAGLBSA-N 1 0 328.210 3.111 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]CCOCC(F)F)o2)c1 ZINC000190900557 455401413 /nfs/dbraw/zinc/40/14/13/455401413.db2.gz DVXKOUOHIJQRFZ-UHFFFAOYSA-N 1 0 326.299 3.226 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(NCC2([NH+]3CCCCC3)CCOCC2)c1 ZINC000088724443 454117463 /nfs/dbraw/zinc/11/74/63/454117463.db2.gz WBYHHVJJSFQWBD-UHFFFAOYSA-N 1 0 333.432 3.350 20 5 EGBDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000045624295 454170907 /nfs/dbraw/zinc/17/09/07/454170907.db2.gz QUHWICVEFDMPFJ-HNNXBMFYSA-N 1 0 348.447 3.049 20 5 EGBDRO C[C@H](c1ccncc1)[NH+]1CCC(Nc2ncccc2[N+](=O)[O-])CC1 ZINC000119256142 454180621 /nfs/dbraw/zinc/18/06/21/454180621.db2.gz QPTNNDJEUFBHNP-CYBMUJFWSA-N 1 0 327.388 3.022 20 5 EGBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]2c2ccsc2)c1 ZINC000046088017 454217245 /nfs/dbraw/zinc/21/72/45/454217245.db2.gz SOVFZLGQYQHBOP-NVXWUHKLSA-N 1 0 348.424 3.233 20 5 EGBDRO Cc1c(CC(=O)Nc2ccc(CC[NH+](C)C)cc2)cccc1[N+](=O)[O-] ZINC000119761712 454218330 /nfs/dbraw/zinc/21/83/30/454218330.db2.gz HZSCAJNDVHXOQO-UHFFFAOYSA-N 1 0 341.411 3.189 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@H]1CCCC[C@@H]1C ZINC000078270555 454221097 /nfs/dbraw/zinc/22/10/97/454221097.db2.gz WFTMMXSXTRUISO-OBJOEFQTSA-N 1 0 335.404 3.099 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]Cc1cccc2c1OCO2)C1CC1 ZINC000130844607 454221595 /nfs/dbraw/zinc/22/15/95/454221595.db2.gz SXTOKGJOXFRELE-MRXNPFEDSA-N 1 0 340.379 3.434 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000120140008 454263833 /nfs/dbraw/zinc/26/38/33/454263833.db2.gz PJEHLWZFWXBVOO-AWEZNQCLSA-N 1 0 334.420 3.208 20 5 EGBDRO Cc1c([C@@H](C)[NH2+]Cc2ccc([S@@](C)=O)cc2)cccc1[N+](=O)[O-] ZINC000090220918 454294305 /nfs/dbraw/zinc/29/43/05/454294305.db2.gz VCYSYDTVCKTJDP-ZLOXQWCVSA-N 1 0 332.425 3.491 20 5 EGBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+]C(c1ccccc1)c1ccccc1 ZINC000090371091 454298950 /nfs/dbraw/zinc/29/89/50/454298950.db2.gz JHSZLJFNALRHGW-UHFFFAOYSA-N 1 0 349.390 3.136 20 5 EGBDRO Cc1c([C@@H](C)[NH2+][C@H]2CCN(C3CCCCC3)C2=O)cccc1[N+](=O)[O-] ZINC000090464303 454309516 /nfs/dbraw/zinc/30/95/16/454309516.db2.gz MHZICRRFUNXZHO-PBHICJAKSA-N 1 0 345.443 3.487 20 5 EGBDRO Cc1cccc(C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000047187952 454337612 /nfs/dbraw/zinc/33/76/12/454337612.db2.gz HQCXTJYBGOOUCV-CQSZACIVSA-N 1 0 333.432 3.145 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(c3ccccn3)C2)cc1[N+](=O)[O-] ZINC000090801434 454341967 /nfs/dbraw/zinc/34/19/67/454341967.db2.gz CEYSAFANZWLPEO-GOEBONIOSA-N 1 0 326.400 3.228 20 5 EGBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)CCc1cccs1 ZINC000072800777 454342845 /nfs/dbraw/zinc/34/28/45/454342845.db2.gz USFVOHXSILSJLK-LBPRGKRZSA-N 1 0 333.413 3.158 20 5 EGBDRO Cc1ncc(C[N@H+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)s1 ZINC000047259466 454348792 /nfs/dbraw/zinc/34/87/92/454348792.db2.gz QAOYJMGMCNPKAA-UHFFFAOYSA-N 1 0 348.428 3.129 20 5 EGBDRO CCC[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000120946714 454368743 /nfs/dbraw/zinc/36/87/43/454368743.db2.gz NWYXIVZMSXCIOJ-CQSZACIVSA-N 1 0 349.431 3.444 20 5 EGBDRO Cc1ccc([C@@H](C)[N@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000047959924 454424904 /nfs/dbraw/zinc/42/49/04/454424904.db2.gz FLMBGRUVNFLBQT-QAPCUYQASA-N 1 0 344.411 3.336 20 5 EGBDRO COc1ccc2c(c1)C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)CC2 ZINC000065163692 454534665 /nfs/dbraw/zinc/53/46/65/454534665.db2.gz RXXSFEVQVSWLQV-UHFFFAOYSA-N 1 0 342.395 3.431 20 5 EGBDRO Cc1cc(C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000122481627 454537626 /nfs/dbraw/zinc/53/76/26/454537626.db2.gz KMGUXAJSPRZKFX-CQSZACIVSA-N 1 0 333.432 3.145 20 5 EGBDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000134468374 454546671 /nfs/dbraw/zinc/54/66/71/454546671.db2.gz WJTSFBFKFHDNOO-UHFFFAOYSA-N 1 0 331.347 3.356 20 5 EGBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000092654416 454601672 /nfs/dbraw/zinc/60/16/72/454601672.db2.gz FRFGECMJERKMET-HOTGVXAUSA-N 1 0 332.448 3.389 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CC[C@@H](C[NH+]3CCCC3)C2)c2ncccc12 ZINC000092656561 454602795 /nfs/dbraw/zinc/60/27/95/454602795.db2.gz ZQEVIIHVCGEMKX-AWEZNQCLSA-N 1 0 326.400 3.065 20 5 EGBDRO Cc1cc(N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)ncc1[N+](=O)[O-] ZINC000074745134 454629099 /nfs/dbraw/zinc/62/90/99/454629099.db2.gz UJYOOSNBATWXJX-INIZCTEOSA-N 1 0 332.448 3.247 20 5 EGBDRO Cc1nn(C)c(NC2CC[NH+](CC3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000065946406 454643364 /nfs/dbraw/zinc/64/33/64/454643364.db2.gz LLJMQRRQHGATLK-UHFFFAOYSA-N 1 0 335.452 3.093 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[N@@H+](C[C@H](O)Cc1ccccc1)C1CC1 ZINC000135222729 454649035 /nfs/dbraw/zinc/64/90/35/454649035.db2.gz ITGUMYXNDZPFCD-GOSISDBHSA-N 1 0 326.396 3.163 20 5 EGBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H]2CCCc2ccccc2)c1 ZINC000135361144 454668367 /nfs/dbraw/zinc/66/83/67/454668367.db2.gz YDEXZXXXGOTKGC-QGZVFWFLSA-N 1 0 328.416 3.279 20 5 EGBDRO CSC[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000135439505 454677534 /nfs/dbraw/zinc/67/75/34/454677534.db2.gz JUFMTDBNIVPNDZ-AWEZNQCLSA-N 1 0 337.445 3.059 20 5 EGBDRO O=C(C[N@@H+]1CC[C@H](Cc2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000124210796 454705711 /nfs/dbraw/zinc/70/57/11/454705711.db2.gz YVMPDWPJPZADRS-MRXNPFEDSA-N 1 0 339.395 3.098 20 5 EGBDRO O=[N+]([O-])c1ccn(CC[N@H+](C2CC2)[C@@H]2CCCc3ccccc32)n1 ZINC000176215918 454713230 /nfs/dbraw/zinc/71/32/30/454713230.db2.gz RDLAANPDTGLROV-QGZVFWFLSA-N 1 0 326.400 3.333 20 5 EGBDRO Cc1cccc(OC[C@@H](O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000152895570 454737879 /nfs/dbraw/zinc/73/78/79/454737879.db2.gz RTCGSCGUMJEEDE-HOTGVXAUSA-N 1 0 344.411 3.302 20 5 EGBDRO C[NH+](C)CCCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000107195720 454745939 /nfs/dbraw/zinc/74/59/39/454745939.db2.gz AQXIYAAHCZXGAB-UHFFFAOYSA-N 1 0 343.383 3.178 20 5 EGBDRO CCOc1ccc([C@@H](C)NC[C@H](C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000153037845 454755055 /nfs/dbraw/zinc/75/50/55/454755055.db2.gz DFNVFSLILITDQQ-LSDHHAIUSA-N 1 0 335.448 3.376 20 5 EGBDRO Cc1c(CC(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000162501605 454779687 /nfs/dbraw/zinc/77/96/87/454779687.db2.gz VHWPSGLUCKGWFF-LIRRHRJNSA-N 1 0 347.459 3.072 20 5 EGBDRO CCOc1ccc([C@H](C)[NH2+]CCc2c(C)noc2C)cc1[N+](=O)[O-] ZINC000153679969 454820165 /nfs/dbraw/zinc/82/01/65/454820165.db2.gz FUNUYRISWSZIBZ-NSHDSACASA-N 1 0 333.388 3.492 20 5 EGBDRO CC[C@H]1CCCC[C@@H]1[NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000163206233 454830424 /nfs/dbraw/zinc/83/04/24/454830424.db2.gz CFXICPQGOIYAFW-ZFWWWQNUSA-N 1 0 347.415 3.451 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@H](O)c1ccccc1)C1CC1 ZINC000153774520 454831567 /nfs/dbraw/zinc/83/15/67/454831567.db2.gz PUNCWNDVHGRPHJ-MJGOQNOKSA-N 1 0 326.396 3.239 20 5 EGBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000163238584 454832695 /nfs/dbraw/zinc/83/26/95/454832695.db2.gz LENUADLBRXNZIA-GUYCJALGSA-N 1 0 344.415 3.075 20 5 EGBDRO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000163589745 454856416 /nfs/dbraw/zinc/85/64/16/454856416.db2.gz PJGMBDNNZVDREP-UHFFFAOYSA-N 1 0 341.411 3.235 20 5 EGBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CSCCS2)cc1[N+](=O)[O-] ZINC000154181533 454872575 /nfs/dbraw/zinc/87/25/75/454872575.db2.gz KEMKEFSLVCWPOA-DGCLKSJQSA-N 1 0 342.486 3.493 20 5 EGBDRO C[C@H]1CCC[C@H](C)N(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000150780223 454891331 /nfs/dbraw/zinc/89/13/31/454891331.db2.gz IVOVQEBODNCZRL-KBPBESRZSA-N 1 0 342.399 3.431 20 5 EGBDRO CN1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000154405771 454893267 /nfs/dbraw/zinc/89/32/67/454893267.db2.gz HWIPLWBRTJIEHG-UHFFFAOYSA-N 1 0 335.791 3.256 20 5 EGBDRO C[C@@H]1C[C@H](N(C)c2ccc([N+](=O)[O-])cn2)CC[N@@H+]1Cc1ccccc1 ZINC000150876345 454906829 /nfs/dbraw/zinc/90/68/29/454906829.db2.gz AGSZKKNLBYYFOJ-NVXWUHKLSA-N 1 0 340.427 3.479 20 5 EGBDRO C[C@H](CCNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)[NH+]1CCCCC1 ZINC000182340194 455493000 /nfs/dbraw/zinc/49/30/00/455493000.db2.gz SYYHMEZLEDCZPN-CYBMUJFWSA-N 1 0 346.431 3.156 20 5 EGBDRO C[C@H]([NH2+]Cc1ccccc1N1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000177964836 454923059 /nfs/dbraw/zinc/92/30/59/454923059.db2.gz QKNQAHPDVXOBDV-HNNXBMFYSA-N 1 0 341.411 3.282 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCC(C)(C)CC1 ZINC000126999990 454931886 /nfs/dbraw/zinc/93/18/86/454931886.db2.gz IAVLPCHVJSMFTF-UHFFFAOYSA-N 1 0 335.404 3.054 20 5 EGBDRO CCC[C@H]([NH2+]CCNC(=O)c1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000178491194 454956896 /nfs/dbraw/zinc/95/68/96/454956896.db2.gz RNEXVNAYYWKTRT-HNNXBMFYSA-N 1 0 331.372 3.049 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)n1 ZINC000178664475 454966405 /nfs/dbraw/zinc/96/64/05/454966405.db2.gz ZQQWNODWYBNVNZ-AWEZNQCLSA-N 1 0 341.415 3.331 20 5 EGBDRO Cc1c(NC(=O)CC[N@@H+](C)[C@@H](C)c2ccncc2)cccc1[N+](=O)[O-] ZINC000127559832 454976885 /nfs/dbraw/zinc/97/68/85/454976885.db2.gz MPGDPXXEMNSXAR-AWEZNQCLSA-N 1 0 342.399 3.320 20 5 EGBDRO C[C@H]1C[C@@H](c2ccccc2)C[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000115554389 455019665 /nfs/dbraw/zinc/01/96/65/455019665.db2.gz QOMQEJWFYWQJQR-GOEBONIOSA-N 1 0 339.395 3.411 20 5 EGBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)c2cnn(C)c2C)cc1[N+](=O)[O-] ZINC000179399177 455045002 /nfs/dbraw/zinc/04/50/02/455045002.db2.gz LFLIRWPXGPAXTP-RYUDHWBXSA-N 1 0 332.404 3.447 20 5 EGBDRO CC(C)c1ccc([C@H]([NH3+])CNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000151933907 455051159 /nfs/dbraw/zinc/05/11/59/455051159.db2.gz NTAVSVGORZTZBV-QGZVFWFLSA-N 1 0 327.384 3.148 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000116474254 455058100 /nfs/dbraw/zinc/05/81/00/455058100.db2.gz SQUCQODLWUBROR-HNNXBMFYSA-N 1 0 336.436 3.391 20 5 EGBDRO Cc1cccc(CN(CC[NH+](C)C)C(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000171338525 455063470 /nfs/dbraw/zinc/06/34/70/455063470.db2.gz MCAAFRXKCIYIEF-UHFFFAOYSA-N 1 0 347.440 3.169 20 5 EGBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCC[C@@H]1C1CCC1 ZINC000117338864 455083409 /nfs/dbraw/zinc/08/34/09/455083409.db2.gz KJAFUYXLPXLIPS-OAHLLOKOSA-N 1 0 345.399 3.157 20 5 EGBDRO COC(=O)C[C@@H]1CCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000179890053 455095009 /nfs/dbraw/zinc/09/50/09/455095009.db2.gz DQFSTJCLIUZVDE-HNNXBMFYSA-N 1 0 344.367 3.382 20 5 EGBDRO COc1cc(C[N@H+](C)[C@@H](C)C2CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000179935983 455101601 /nfs/dbraw/zinc/10/16/01/455101601.db2.gz NXYXVQVSURBUHT-JTQLQIEISA-N 1 0 344.358 3.478 20 5 EGBDRO C[C@@H]1C[C@H]1[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc(Cl)cc1 ZINC000180034945 455120454 /nfs/dbraw/zinc/12/04/54/455120454.db2.gz QMGKGEUYTXNJTF-DJSGYFEHSA-N 1 0 334.807 3.432 20 5 EGBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2C[C@@H]3CCCC[C@]32c2ccccc2)n1 ZINC000152508146 455129354 /nfs/dbraw/zinc/12/93/54/455129354.db2.gz SNMUTGRGIQEPHW-WMZOPIPTSA-N 1 0 326.400 3.193 20 5 EGBDRO CCN(C(=O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000180394118 455163560 /nfs/dbraw/zinc/16/35/60/455163560.db2.gz RIJZFILXBWLDNG-AWEZNQCLSA-N 1 0 327.384 3.299 20 5 EGBDRO C[C@H]([NH2+]CC(=O)N([C@@H](C)C1CC1)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000180430513 455167676 /nfs/dbraw/zinc/16/76/76/455167676.db2.gz ODPKQSWAWZFKPV-STQMWFEESA-N 1 0 331.416 3.035 20 5 EGBDRO COc1cccc([C@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)N(C)C)c1 ZINC000237330525 455174702 /nfs/dbraw/zinc/17/47/02/455174702.db2.gz JOOOSCVJLDLZCD-HNNXBMFYSA-N 1 0 335.429 3.057 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H]1c1c(C)n[nH]c1C ZINC000180527369 455189876 /nfs/dbraw/zinc/18/98/76/455189876.db2.gz JQPJRWIWETYKGX-OAHLLOKOSA-N 1 0 330.388 3.280 20 5 EGBDRO C[C@@H](C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000245440836 455300319 /nfs/dbraw/zinc/30/03/19/455300319.db2.gz GUQCYPBYAWZVFV-GOEBONIOSA-N 1 0 326.400 3.280 20 5 EGBDRO Cn1cc(C[NH2+]CC[C@H]2CCCCO2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000181247325 455307189 /nfs/dbraw/zinc/30/71/89/455307189.db2.gz SITUXABWXWZFLG-QGZVFWFLSA-N 1 0 344.415 3.044 20 5 EGBDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000183606206 455310876 /nfs/dbraw/zinc/31/08/76/455310876.db2.gz GVLJCOVACYYHNN-CYBMUJFWSA-N 1 0 349.435 3.012 20 5 EGBDRO Cc1ccc(NC(=O)Cc2cccc([N+](=O)[O-])c2)c(C[NH+](C)C)c1 ZINC000173755311 455331712 /nfs/dbraw/zinc/33/17/12/455331712.db2.gz DFQJATPJMFDUMX-UHFFFAOYSA-N 1 0 327.384 3.146 20 5 EGBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@H](C)c2cccc(O)c2)cccc1[N+](=O)[O-] ZINC000181546808 455353463 /nfs/dbraw/zinc/35/34/63/455353463.db2.gz LIACTHHGUTVYCS-OLZOCXBDSA-N 1 0 343.383 3.287 20 5 EGBDRO C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc(OCC2CC2)c(F)c1 ZINC000181569770 455356137 /nfs/dbraw/zinc/35/61/37/455356137.db2.gz HUTRXAYRCIVUEP-GFCCVEGCSA-N 1 0 348.378 3.070 20 5 EGBDRO CCCC[NH+]1CCC(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000265827820 455388957 /nfs/dbraw/zinc/38/89/57/455388957.db2.gz SIQQMXOKKVTRJI-UHFFFAOYSA-N 1 0 347.459 3.253 20 5 EGBDRO CCN(CCC[NH+](C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000190892574 455399452 /nfs/dbraw/zinc/39/94/52/455399452.db2.gz YFUFRWBPRHNCPF-UHFFFAOYSA-N 1 0 328.800 3.054 20 5 EGBDRO C[C@@H]([NH2+][C@H]1CCN(C2CCCCC2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000160151784 455433186 /nfs/dbraw/zinc/43/31/86/455433186.db2.gz UZLULOZXNZGNMO-DYVFJYSZSA-N 1 0 331.416 3.179 20 5 EGBDRO CC[C@H](C)C[N@H+](CC)[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000160553015 455473983 /nfs/dbraw/zinc/47/39/83/455473983.db2.gz ISYHZRHGNVJWTO-STQMWFEESA-N 1 0 337.420 3.298 20 5 EGBDRO C[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000185149665 455511266 /nfs/dbraw/zinc/51/12/66/455511266.db2.gz HNLXTNMHHLZOQJ-KGLIPLIRSA-N 1 0 348.424 3.108 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000246750407 455522265 /nfs/dbraw/zinc/52/22/65/455522265.db2.gz ZHEQIBTYSOHYJI-TZMCWYRMSA-N 1 0 348.447 3.454 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000246750389 455522702 /nfs/dbraw/zinc/52/27/02/455522702.db2.gz ZHEQIBTYSOHYJI-OCCSQVGLSA-N 1 0 348.447 3.454 20 5 EGBDRO CC[NH+](CC)CCC[C@H](C)NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000267955130 455569714 /nfs/dbraw/zinc/56/97/14/455569714.db2.gz ISJOBXCEUIFKNN-HNNXBMFYSA-N 1 0 335.448 3.154 20 5 EGBDRO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000182718147 455575111 /nfs/dbraw/zinc/57/51/11/455575111.db2.gz WQQWHHLPFAJHFX-OAHLLOKOSA-N 1 0 349.431 3.474 20 5 EGBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@H]1OCCc2sccc21 ZINC000292282631 455618174 /nfs/dbraw/zinc/61/81/74/455618174.db2.gz BWORFWSHODJLFO-SJKOYZFVSA-N 1 0 332.425 3.491 20 5 EGBDRO COc1ccc(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1OC ZINC000284055451 455629721 /nfs/dbraw/zinc/62/97/21/455629721.db2.gz KMZSNAMAAZPAOH-LLVKDONJSA-N 1 0 331.372 3.045 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000268257964 455632025 /nfs/dbraw/zinc/63/20/25/455632025.db2.gz KOSFQPYLVDIZPT-GDBMZVCRSA-N 1 0 346.383 3.285 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000268257966 455633637 /nfs/dbraw/zinc/63/36/37/455633637.db2.gz KOSFQPYLVDIZPT-GOEBONIOSA-N 1 0 346.383 3.285 20 5 EGBDRO Cc1c([C@H](C)[NH2+][C@H](CO)C[C@H](O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000271465072 455647414 /nfs/dbraw/zinc/64/74/14/455647414.db2.gz GQGQFCYUOATSLJ-QOKNQOGYSA-N 1 0 344.411 3.038 20 5 EGBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000192595211 455648202 /nfs/dbraw/zinc/64/82/02/455648202.db2.gz YVIQGVYZORYVSR-GOEBONIOSA-N 1 0 349.479 3.210 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@@H]1CCCC[C@H]1C ZINC000192623166 455655587 /nfs/dbraw/zinc/65/55/87/455655587.db2.gz XWQQPCAXSIMRSF-IUODEOHRSA-N 1 0 335.404 3.052 20 5 EGBDRO COc1ccc([C@H](O)C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000192638257 455658155 /nfs/dbraw/zinc/65/81/55/455658155.db2.gz HBPUEIFTZLFETG-RBUKOAKNSA-N 1 0 342.395 3.304 20 5 EGBDRO CC[C@H]([NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])[C@H](O)C(F)(F)F ZINC000271583752 455691686 /nfs/dbraw/zinc/69/16/86/455691686.db2.gz XIWYPGONJKYBLY-JKOKRWQUSA-N 1 0 334.338 3.207 20 5 EGBDRO CC[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)c1ccccc1 ZINC000271725899 455736316 /nfs/dbraw/zinc/73/63/16/455736316.db2.gz XOLCAXQXLGZCEI-OAHLLOKOSA-N 1 0 343.383 3.283 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000278052778 455745350 /nfs/dbraw/zinc/74/53/50/455745350.db2.gz DHDITKAIBJQRFZ-UHFFFAOYSA-N 1 0 346.431 3.208 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H]1CCCO[C@@H]1CC(C)C ZINC000186398513 455760418 /nfs/dbraw/zinc/76/04/18/455760418.db2.gz CFDMCXZOXCYZMF-DLBZAZTESA-N 1 0 349.431 3.025 20 5 EGBDRO CC(C)[N@@H+](Cc1ccccc1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000194361937 455831922 /nfs/dbraw/zinc/83/19/22/455831922.db2.gz XSFDCWZOTRHXIH-KRWDZBQOSA-N 1 0 344.411 3.245 20 5 EGBDRO Cc1ccc([C@@H](C)NCCC[N@@H+]2CCCO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000278375611 455834237 /nfs/dbraw/zinc/83/42/37/455834237.db2.gz CCOKUQKLIUWBRC-HZPDHXFCSA-N 1 0 335.448 3.055 20 5 EGBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2C[C@H](c3ccccc3)[C@H]3CCC[C@@H]32)n1 ZINC000285549466 455867975 /nfs/dbraw/zinc/86/79/75/455867975.db2.gz UNHUQYNTLMHNEA-ZACQAIPSSA-N 1 0 326.400 3.059 20 5 EGBDRO CCOC1CC2(C1)CC[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000285565548 455871001 /nfs/dbraw/zinc/87/10/01/455871001.db2.gz SXHMGCZBUILFJG-UHFFFAOYSA-N 1 0 334.416 3.255 20 5 EGBDRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000285595241 455878380 /nfs/dbraw/zinc/87/83/80/455878380.db2.gz JKRDTYGHBGRXOV-UHFFFAOYSA-N 1 0 346.387 3.174 20 5 EGBDRO Cc1cc(C(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000187251331 455886627 /nfs/dbraw/zinc/88/66/27/455886627.db2.gz GPBSARQUYKPDHM-KDOFPFPSSA-N 1 0 341.411 3.324 20 5 EGBDRO COC[C@]1(C)CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000296586372 455981401 /nfs/dbraw/zinc/98/14/01/455981401.db2.gz FCYBBSYSCRXQMR-GOSISDBHSA-N 1 0 345.399 3.151 20 5 EGBDRO C[C@@H]1CN(Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C[C@H]1[NH3+] ZINC000261977748 455981740 /nfs/dbraw/zinc/98/17/40/455981740.db2.gz IVWSGTVPFABRHZ-RHSMWYFYSA-N 1 0 340.427 3.142 20 5 EGBDRO CO[C@@]1(C)CCC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000280582481 456005524 /nfs/dbraw/zinc/00/55/24/456005524.db2.gz SWTMPDFZXWDEAV-KRWDZBQOSA-N 1 0 346.387 3.036 20 5 EGBDRO Cc1cc(N2CCC(CCCO)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272782925 456069397 /nfs/dbraw/zinc/06/93/97/456069397.db2.gz AROOLLPLXWOTDN-UHFFFAOYSA-N 1 0 329.400 3.440 20 5 EGBDRO CCNC(=O)C(C)(C)CNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000272833484 456083898 /nfs/dbraw/zinc/08/38/98/456083898.db2.gz LKLYBINYSHMGDG-UHFFFAOYSA-N 1 0 330.388 3.026 20 5 EGBDRO CC(C)c1ccc(C(=O)N2C[C@@H]3CCCC[N@@H+]3C[C@@H]2C)cc1[N+](=O)[O-] ZINC000332528539 456086985 /nfs/dbraw/zinc/08/69/85/456086985.db2.gz QARBYCXYYCWNEN-HOCLYGCPSA-N 1 0 345.443 3.417 20 5 EGBDRO Cc1cc(NC[C@H]2CCC[N@@H+]2Cc2ccccc2)ncc1[N+](=O)[O-] ZINC000301422275 456110837 /nfs/dbraw/zinc/11/08/37/456110837.db2.gz FPRRMPNBRLWPAI-MRXNPFEDSA-N 1 0 326.400 3.375 20 5 EGBDRO CC(=O)c1ccc(N[C@@H]2CC[N@H+](CC3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000301483199 456126773 /nfs/dbraw/zinc/12/67/73/456126773.db2.gz XRNGGBSGAKIAHB-MRXNPFEDSA-N 1 0 331.416 3.474 20 5 EGBDRO COC1CC[NH+](CCNc2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000301525886 456137806 /nfs/dbraw/zinc/13/78/06/456137806.db2.gz HTTLYVVMJKJALU-UHFFFAOYSA-N 1 0 347.337 3.136 20 5 EGBDRO C[C@H]1C[C@H](Nc2ncccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000301563180 456148160 /nfs/dbraw/zinc/14/81/60/456148160.db2.gz VJSYADNDOLDQGS-GOEBONIOSA-N 1 0 326.400 3.455 20 5 EGBDRO Cc1cccc([C@@H]2CC[N@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)c1 ZINC000273039719 456156480 /nfs/dbraw/zinc/15/64/80/456156480.db2.gz DQIBNGPCXBVSMS-MJGOQNOKSA-N 1 0 326.396 3.426 20 5 EGBDRO Cc1ccc(C[C@H](CO)[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000188974196 456186135 /nfs/dbraw/zinc/18/61/35/456186135.db2.gz JVWHONKYAUPODF-OAHLLOKOSA-N 1 0 334.803 3.250 20 5 EGBDRO CC1CC[NH+](Cc2ccc(CNc3ncc([N+](=O)[O-])cn3)cc2)CC1 ZINC000273157733 456195601 /nfs/dbraw/zinc/19/56/01/456195601.db2.gz JQBBHBSMDFHIPN-UHFFFAOYSA-N 1 0 341.415 3.229 20 5 EGBDRO CCC[N@@H+](Cc1ccccc1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000301767983 456209614 /nfs/dbraw/zinc/20/96/14/456209614.db2.gz ZEBUEGYSDOELIT-SFHVURJKSA-N 1 0 344.411 3.247 20 5 EGBDRO O=[N+]([O-])c1cc(F)c(N2CC[C@@H](C[NH+]3CCCCC3)C2)c(F)c1 ZINC000301799593 456218007 /nfs/dbraw/zinc/21/80/07/456218007.db2.gz SFGTXFQKKRMNOI-LBPRGKRZSA-N 1 0 325.359 3.185 20 5 EGBDRO C[NH2+]C[C@H]1CCCN(C(=O)c2cc3ccccc3c3cccnc23)C1 ZINC000237098671 456232078 /nfs/dbraw/zinc/23/20/78/456232078.db2.gz BAYSNNZOCATHDU-OAHLLOKOSA-N 1 0 333.435 3.460 20 5 EGBDRO COc1cc(NC[C@H](c2ccccc2)[NH+](C)C)c(F)cc1[N+](=O)[O-] ZINC000301855978 456233390 /nfs/dbraw/zinc/23/33/90/456233390.db2.gz IKUYUQBUGDFQGQ-MRXNPFEDSA-N 1 0 333.363 3.457 20 5 EGBDRO COCCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000263820693 456234688 /nfs/dbraw/zinc/23/46/88/456234688.db2.gz XUDZIDKIVMALPX-UHFFFAOYSA-N 1 0 327.812 3.161 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC000189223704 456258437 /nfs/dbraw/zinc/25/84/37/456258437.db2.gz JVYOQFKYMWSRSI-KRWDZBQOSA-N 1 0 334.416 3.385 20 5 EGBDRO Cc1cc(N(C)C[C@H]2CCC[N@H+](C)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000302041582 456273830 /nfs/dbraw/zinc/27/38/30/456273830.db2.gz WPIAINMLEWDKSX-AWEZNQCLSA-N 1 0 328.416 3.229 20 5 EGBDRO CC[N@@H+]1CCCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC1 ZINC000275664819 456279843 /nfs/dbraw/zinc/27/98/43/456279843.db2.gz YWMDRRBGWGZAEW-UHFFFAOYSA-N 1 0 349.434 3.261 20 5 EGBDRO Cc1cc(NC[C@H](O)Cc2ccccc2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302127566 456293617 /nfs/dbraw/zinc/29/36/17/456293617.db2.gz BFICYRQSJBNXNO-MRXNPFEDSA-N 1 0 337.379 3.467 20 5 EGBDRO O=[N+]([O-])c1ccccc1CN1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000347689313 456306745 /nfs/dbraw/zinc/30/67/45/456306745.db2.gz KVQHHGXXJFQAHU-UHFFFAOYSA-N 1 0 348.406 3.465 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1CN1CCOc2ccc(C)cc2C1 ZINC000352829509 456344849 /nfs/dbraw/zinc/34/48/49/456344849.db2.gz GUYOWHFRNOPGJC-UHFFFAOYSA-N 1 0 328.368 3.306 20 5 EGBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(F)c2ccccc21 ZINC000340307271 456377168 /nfs/dbraw/zinc/37/71/68/456377168.db2.gz SKRXTPWQXMFKDM-GFCCVEGCSA-N 1 0 328.347 3.434 20 5 EGBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000290600543 456378152 /nfs/dbraw/zinc/37/81/52/456378152.db2.gz NDHPMGAVVLNTKI-LLVKDONJSA-N 1 0 327.812 3.098 20 5 EGBDRO CC1(C)C[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC[C@@H]1O ZINC000276061095 456381893 /nfs/dbraw/zinc/38/18/93/456381893.db2.gz VEFUWTSMKDYCLJ-KRWDZBQOSA-N 1 0 330.384 3.448 20 5 EGBDRO Cc1cc(N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c2cccc([N+](=O)[O-])c2n1 ZINC000302762959 456393798 /nfs/dbraw/zinc/39/37/98/456393798.db2.gz XUAXNMVCRFOCLZ-HOCLYGCPSA-N 1 0 340.427 3.372 20 5 EGBDRO O=[N+]([O-])c1cc2c(ncnc2NC[C@H]2CCCC[N@@H+]2C2CC2)s1 ZINC000343085148 456395622 /nfs/dbraw/zinc/39/56/22/456395622.db2.gz AZFRSWZQTSBINP-LLVKDONJSA-N 1 0 333.417 3.028 20 5 EGBDRO CCC1CCC([N@H+](CCO)Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000617070838 460732282 /nfs/dbraw/zinc/73/22/82/460732282.db2.gz NNSOKYKTRYHSFG-UHFFFAOYSA-N 1 0 347.415 3.499 20 5 EGBDRO C[C@H]1CCC[N@H+](CCCCNc2c3c(ccc2[N+](=O)[O-])NCC3)C1 ZINC000302863437 456419893 /nfs/dbraw/zinc/41/98/93/456419893.db2.gz WSZXGSSNLHDSBI-AWEZNQCLSA-N 1 0 332.448 3.487 20 5 EGBDRO COC(=O)C[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)C1CCCCC1 ZINC000347955771 456427500 /nfs/dbraw/zinc/42/75/00/456427500.db2.gz IXAOKUCWEYDSPQ-CYBMUJFWSA-N 1 0 326.418 3.258 20 5 EGBDRO COc1cc(NCc2ccc(CC[NH+](C)C)cc2)ccc1[N+](=O)[O-] ZINC000276327913 456447234 /nfs/dbraw/zinc/44/72/34/456447234.db2.gz PWKRPSCBAMLHOV-UHFFFAOYSA-N 1 0 329.400 3.320 20 5 EGBDRO C[C@@H](CN1CCCC1=O)[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290973970 456483231 /nfs/dbraw/zinc/48/32/31/456483231.db2.gz XUTNZWCGAVIEAY-VIFPVBQESA-N 1 0 346.214 3.002 20 5 EGBDRO CCOc1ccc([C@@H](C)[NH2+]CCC(OCC)OCC)cc1[N+](=O)[O-] ZINC000276496993 456498276 /nfs/dbraw/zinc/49/82/76/456498276.db2.gz IRPASSOICYJIDU-CYBMUJFWSA-N 1 0 340.420 3.433 20 5 EGBDRO O=C(NCCC[NH+]1CCCC1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000291044841 456508039 /nfs/dbraw/zinc/50/80/39/456508039.db2.gz BJBKOLXIXGPCJK-UHFFFAOYSA-N 1 0 346.214 3.117 20 5 EGBDRO CCOc1cc(C[NH2+][C@H](CCO)c2ccccc2)ccc1[N+](=O)[O-] ZINC000276938852 456625738 /nfs/dbraw/zinc/62/57/38/456625738.db2.gz RZPJQUBVYZLSFL-MRXNPFEDSA-N 1 0 330.384 3.207 20 5 EGBDRO C[N@H+](CC[C@@H]1CCCO1)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000343458256 456634158 /nfs/dbraw/zinc/63/41/58/456634158.db2.gz BZXMUFFVKFQWDC-ZDUSSCGKSA-N 1 0 330.331 3.197 20 5 EGBDRO Cc1nc(NCC[C@H](C)[N@H+](C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000348346713 456639298 /nfs/dbraw/zinc/63/92/98/456639298.db2.gz GSTWZUGCLILPJT-AWEZNQCLSA-N 1 0 328.416 3.043 20 5 EGBDRO O=[N+]([O-])c1ccc(CN2CCC(O)(c3ccccc3)CC2)cc1F ZINC000283189382 456731857 /nfs/dbraw/zinc/73/18/57/456731857.db2.gz QOSXMTYAGNKILT-UHFFFAOYSA-N 1 0 330.359 3.218 20 5 EGBDRO C[C@@H]([NH2+]CC(=O)N(C)Cc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000299723480 456774389 /nfs/dbraw/zinc/77/43/89/456774389.db2.gz SZWINCRITHSEEA-CYBMUJFWSA-N 1 0 345.374 3.043 20 5 EGBDRO C[C@@H]1CCC[C@@H]1C[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353593888 456789751 /nfs/dbraw/zinc/78/97/51/456789751.db2.gz LVEIOCOEUGDKQR-UNEWFSDZSA-N 1 0 328.416 3.444 20 5 EGBDRO C[C@@H]1CCC[C@@H]1C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000353600268 456794375 /nfs/dbraw/zinc/79/43/75/456794375.db2.gz YGRFIFXTBTUGMQ-UNEWFSDZSA-N 1 0 328.416 3.444 20 5 EGBDRO Cc1ccc([C@@H](CNc2nc3sccn3c2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000301126521 456804143 /nfs/dbraw/zinc/80/41/43/456804143.db2.gz ZHAYXDUWGPOAMK-CYBMUJFWSA-N 1 0 345.428 3.327 20 5 EGBDRO Cn1cc(C[NH+]2CC(C3CCC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000348707546 456823098 /nfs/dbraw/zinc/82/30/98/456823098.db2.gz JGJMORDUNCTHRF-UHFFFAOYSA-N 1 0 326.400 3.227 20 5 EGBDRO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(C(=O)N(C)C)cc1 ZINC000292126762 456862052 /nfs/dbraw/zinc/86/20/52/456862052.db2.gz LETNBDQAGBANGE-CYBMUJFWSA-N 1 0 327.384 3.147 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@@H](O)Cc1ccccc1 ZINC000353749500 456887407 /nfs/dbraw/zinc/88/74/07/456887407.db2.gz LIQMGGBUGUQPLZ-SFHVURJKSA-N 1 0 344.411 3.029 20 5 EGBDRO CC(C)COc1ccc(C(C)(C)NCc2c([N+](=O)[O-])ncn2C)cc1 ZINC000341708160 456908971 /nfs/dbraw/zinc/90/89/71/456908971.db2.gz PISOOQKEJNDQTR-UHFFFAOYSA-N 1 0 346.431 3.388 20 5 EGBDRO CCCC[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1ccc(OC)cc1 ZINC000341795248 456947778 /nfs/dbraw/zinc/94/77/78/456947778.db2.gz FNUAYUHKEVXMTG-HNNXBMFYSA-N 1 0 332.404 3.358 20 5 EGBDRO CC(C)(CO)[C@H](NCc1cc([O-])ccc1[N+](=O)[O-])c1ccccc1 ZINC000339130005 456953889 /nfs/dbraw/zinc/95/38/89/456953889.db2.gz IHXRAGKOLOGMJW-QGZVFWFLSA-N 1 0 330.384 3.150 20 5 EGBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)Nc1ncnc2sc([N+](=O)[O-])cc21 ZINC000341839823 456967142 /nfs/dbraw/zinc/96/71/42/456967142.db2.gz GXIQSUNFIZGCGY-WDEREUQCSA-N 1 0 335.433 3.132 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CC[NH+](C(C)C)C(C)C ZINC000356527589 457037822 /nfs/dbraw/zinc/03/78/22/457037822.db2.gz NHEJSSMHXDDEPW-UHFFFAOYSA-N 1 0 336.436 3.486 20 5 EGBDRO C[C@@H]([NH2+][C@@H]1CCCN(CC(C)(C)C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000330900475 457101859 /nfs/dbraw/zinc/10/18/59/457101859.db2.gz OKKMLITYXQIXBN-CZUORRHYSA-N 1 0 333.432 3.283 20 5 EGBDRO CC[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)C12CC3CC(CC(C3)C1)C2 ZINC000356749881 457148943 /nfs/dbraw/zinc/14/89/43/457148943.db2.gz YTVUSHAPSUKPKX-IEKYFPHUSA-N 1 0 332.448 3.413 20 5 EGBDRO C[C@H](CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1C ZINC000346782588 457167313 /nfs/dbraw/zinc/16/73/13/457167313.db2.gz HJVRRRQNTVAIIF-NWDGAFQWSA-N 1 0 339.823 3.241 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000331369043 457174565 /nfs/dbraw/zinc/17/45/65/457174565.db2.gz FPBLQDVSLBBZOM-RHSMWYFYSA-N 1 0 346.431 3.289 20 5 EGBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000354444400 457226431 /nfs/dbraw/zinc/22/64/31/457226431.db2.gz ZYHDWBTWMJBHNK-NEPJUHHUSA-N 1 0 339.823 3.193 20 5 EGBDRO CC[C@H](CC(F)(F)F)[NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000354541637 457279690 /nfs/dbraw/zinc/27/96/90/457279690.db2.gz JTGUGCOSYNXCTQ-MFKMUULPSA-N 1 0 345.321 3.021 20 5 EGBDRO O=[N+]([O-])c1cccc(OCC[NH+]2CCC(Cc3cccnc3)CC2)c1 ZINC000357042093 457294120 /nfs/dbraw/zinc/29/41/20/457294120.db2.gz RDOXPUXDTXXYCA-UHFFFAOYSA-N 1 0 341.411 3.323 20 5 EGBDRO CC(C)c1ccc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000332247984 457335588 /nfs/dbraw/zinc/33/55/88/457335588.db2.gz BDXCTCFKSAWEQS-HOTGVXAUSA-N 1 0 331.416 3.075 20 5 EGBDRO C[C@@H](CNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[N@@H+]1CCCC[C@H]1C ZINC000347296558 457337561 /nfs/dbraw/zinc/33/75/61/457337561.db2.gz FVMSAFBGZCNUJQ-NEPJUHHUSA-N 1 0 338.383 3.118 20 5 EGBDRO Cc1cc(C(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000347314247 457347945 /nfs/dbraw/zinc/34/79/45/457347945.db2.gz IQWHPHVAADXCOS-SCLBCKFNSA-N 1 0 333.432 3.144 20 5 EGBDRO O=C(NCCC[NH+]1CCCCCC1)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000347321328 457351282 /nfs/dbraw/zinc/35/12/82/457351282.db2.gz XUFPDMPYKGPVPI-UHFFFAOYSA-N 1 0 338.383 3.122 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000332407153 457363872 /nfs/dbraw/zinc/36/38/72/457363872.db2.gz IENISBWWOKHKIV-GJZGRUSLSA-N 1 0 346.431 3.065 20 5 EGBDRO CCc1oc(C(=O)OC)cc1C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000352549714 457460020 /nfs/dbraw/zinc/46/00/20/457460020.db2.gz GBEZVUHKBGRVFN-UHFFFAOYSA-N 1 0 346.383 3.211 20 5 EGBDRO O=[N+]([O-])c1ccn(C2CCN(Cc3nc4ccccc4s3)CC2)n1 ZINC000370061587 457523643 /nfs/dbraw/zinc/52/36/43/457523643.db2.gz UWGUDMQNQNNZPW-UHFFFAOYSA-N 1 0 343.412 3.238 20 5 EGBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000361045893 457539716 /nfs/dbraw/zinc/53/97/16/457539716.db2.gz ZDSVFUZXLSUHLU-CZUORRHYSA-N 1 0 343.431 3.195 20 5 EGBDRO C[C@H]1COCCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000370183085 457577986 /nfs/dbraw/zinc/57/79/86/457577986.db2.gz KAKCQMOUZNWNDW-GFCCVEGCSA-N 1 0 333.413 3.187 20 5 EGBDRO C[C@@H]1C[C@H](c2cccnc2)[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000370230873 457593543 /nfs/dbraw/zinc/59/35/43/457593543.db2.gz PPHOGMQXXMHEQY-RDTXWAMCSA-N 1 0 327.384 3.452 20 5 EGBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)cc1 ZINC000425556354 457598699 /nfs/dbraw/zinc/59/86/99/457598699.db2.gz SSYZOLUFIUDGLQ-SFHVURJKSA-N 1 0 346.427 3.255 20 5 EGBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000361170278 457627367 /nfs/dbraw/zinc/62/73/67/457627367.db2.gz YHHWCGFXTPYFLE-UONOGXRCSA-N 1 0 329.400 3.379 20 5 EGBDRO CC[C@@H]([NH2+][C@H]1CC(=O)N(c2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000357790210 457690919 /nfs/dbraw/zinc/69/09/19/457690919.db2.gz BHUMPEMMZKSQRQ-MAUKXSAKSA-N 1 0 339.395 3.441 20 5 EGBDRO CCOc1ccc([C@H](C)[NH2+]CCc2nc(C)oc2C)cc1[N+](=O)[O-] ZINC000357796058 457693383 /nfs/dbraw/zinc/69/33/83/457693383.db2.gz PFFMGXNGELJONZ-NSHDSACASA-N 1 0 333.388 3.492 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c(OC(F)F)c1 ZINC000443426893 457763425 /nfs/dbraw/zinc/76/34/25/457763425.db2.gz HFKHUILNEGITPC-QWRGUYRKSA-N 1 0 327.331 3.235 20 5 EGBDRO O=C1CCC[C@@H](C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)N1 ZINC000433204784 457778225 /nfs/dbraw/zinc/77/82/25/457778225.db2.gz IBGSCXBWTVPFJS-LBPRGKRZSA-N 1 0 345.424 3.082 20 5 EGBDRO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000443643442 457797509 /nfs/dbraw/zinc/79/75/09/457797509.db2.gz VLGOOULCVADFOA-RDBSUJKOSA-N 1 0 349.431 3.298 20 5 EGBDRO Cc1cnc(CC[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)nc1 ZINC000433308280 457805914 /nfs/dbraw/zinc/80/59/14/457805914.db2.gz XRJHEWZGQISCBX-MRXNPFEDSA-N 1 0 326.400 3.248 20 5 EGBDRO CCC[N@H+](CC(C)C)[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000411203612 457829862 /nfs/dbraw/zinc/82/98/62/457829862.db2.gz RXIGOSKSZQGLSL-CYBMUJFWSA-N 1 0 337.420 3.298 20 5 EGBDRO Cc1cnc(N(CCCc2ccccc2)CC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000433789052 457886810 /nfs/dbraw/zinc/88/68/10/457886810.db2.gz CLYWUQOTVGRFRU-UHFFFAOYSA-N 1 0 342.443 3.299 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCOC3(CCOCC3)C2)cc1[N+](=O)[O-] ZINC000358287189 457912000 /nfs/dbraw/zinc/91/20/00/457912000.db2.gz AQINOOWWHJBVJX-ZBFHGGJFSA-N 1 0 334.416 3.282 20 5 EGBDRO CC[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CCCC[C@H]1C ZINC000444660232 457930466 /nfs/dbraw/zinc/93/04/66/457930466.db2.gz FTGYEEJGTVTKCN-PMPSAXMXSA-N 1 0 336.432 3.235 20 5 EGBDRO CC[C@H]1CCCC[C@@H]1[N@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000444678194 457937071 /nfs/dbraw/zinc/93/70/71/457937071.db2.gz QXDDESCARROFGL-YOEHRIQHSA-N 1 0 333.432 3.458 20 5 EGBDRO CCN(CC[NH+]1CCCCCC1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000411736245 457966314 /nfs/dbraw/zinc/96/63/14/457966314.db2.gz YGXZCSLUYHUSHI-UHFFFAOYSA-N 1 0 346.431 3.434 20 5 EGBDRO Cc1c(NC(=O)NCC[N@@H+]2CCCC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000444815850 457983566 /nfs/dbraw/zinc/98/35/66/457983566.db2.gz ICZFMUZQKRUSAB-UHFFFAOYSA-N 1 0 334.420 3.147 20 5 EGBDRO COc1ccc(NC(=O)CC[NH2+][C@]2(C)CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000411815605 457985097 /nfs/dbraw/zinc/98/50/97/457985097.db2.gz JYGKCTYGJLBNNP-SCLBCKFNSA-N 1 0 349.431 3.490 20 5 EGBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCSC(C)(C)CC1 ZINC000434666813 458032727 /nfs/dbraw/zinc/03/27/27/458032727.db2.gz VCONAUYCEOPLDN-GFCCVEGCSA-N 1 0 337.445 3.139 20 5 EGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](N2CCCC2=O)CC1 ZINC000412060097 458073906 /nfs/dbraw/zinc/07/39/06/458073906.db2.gz YZGXAAFZHDERBG-HUUCEWRRSA-N 1 0 331.416 3.133 20 5 EGBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000358650217 458128007 /nfs/dbraw/zinc/12/80/07/458128007.db2.gz NPAIMLYVWNYIRL-KFWWJZLASA-N 1 0 331.416 3.072 20 5 EGBDRO Cc1cc(N2CCC[C@@H]([NH+](C)C)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000375933409 458129773 /nfs/dbraw/zinc/12/97/73/458129773.db2.gz RBPKLDOQNQWJGT-CQSZACIVSA-N 1 0 328.416 3.372 20 5 EGBDRO C[C@@H]([NH3+])[C@H]1CCCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000435381922 458131041 /nfs/dbraw/zinc/13/10/41/458131041.db2.gz YQQBUZUJYNOARS-OCCSQVGLSA-N 1 0 346.456 3.278 20 5 EGBDRO Cc1ccc(C[NH2+]C[C@@]2(CO)C[C@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000428555940 458170017 /nfs/dbraw/zinc/17/00/17/458170017.db2.gz ALSCTYZZIOVBJS-PKOBYXMFSA-N 1 0 344.386 3.298 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@H](CO)CC(F)F)s1 ZINC000428645990 458182994 /nfs/dbraw/zinc/18/29/94/458182994.db2.gz DQOIRPLEAJNBGS-SNVBAGLBSA-N 1 0 342.367 3.429 20 5 EGBDRO CCc1noc(CC)c1C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447578971 458314621 /nfs/dbraw/zinc/31/46/21/458314621.db2.gz IHLUTFKZXZHBLC-LSDHHAIUSA-N 1 0 347.419 3.178 20 5 EGBDRO C[C@H]1CC[C@H]([N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000429580519 458349710 /nfs/dbraw/zinc/34/97/10/458349710.db2.gz PNBYFHYUQKGOLZ-QWRGUYRKSA-N 1 0 325.796 3.307 20 5 EGBDRO C[C@@H](CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000429835089 458376226 /nfs/dbraw/zinc/37/62/26/458376226.db2.gz WNHHJDYMPACBPF-CABCVRRESA-N 1 0 347.459 3.109 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000448083206 458388414 /nfs/dbraw/zinc/38/84/14/458388414.db2.gz YSBPYKKTMPDLFE-INIZCTEOSA-N 1 0 348.447 3.454 20 5 EGBDRO CCCn1ccnc1CCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430233176 458424957 /nfs/dbraw/zinc/42/49/57/458424957.db2.gz JSUUQWXBODPJCI-UHFFFAOYSA-N 1 0 346.431 3.275 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C2(CO)CCSCC2)o1 ZINC000459727730 458459388 /nfs/dbraw/zinc/45/93/88/458459388.db2.gz NATAIBNTUPZARR-UHFFFAOYSA-N 1 0 348.424 3.203 20 5 EGBDRO CCOc1ccc(NC(=O)C[N@H+](C)C2CC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000459737151 458463430 /nfs/dbraw/zinc/46/34/30/458463430.db2.gz HMCVXOGZMNPLBN-UHFFFAOYSA-N 1 0 335.404 3.052 20 5 EGBDRO CC(C)c1ccc(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)cc1[N+](=O)[O-] ZINC000423658456 458468949 /nfs/dbraw/zinc/46/89/49/458468949.db2.gz FYWCRURBPAFRJX-HDJSIYSDSA-N 1 0 333.432 3.213 20 5 EGBDRO COc1cc(C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)c([N+](=O)[O-])cc1OC(F)F ZINC000459781382 458477736 /nfs/dbraw/zinc/47/77/36/458477736.db2.gz NRMSWLIPTFCLNM-USWWRNFRSA-N 1 0 342.342 3.483 20 5 EGBDRO Cc1cc(C(=O)Nc2nc(C3CC[NH2+]CC3)cs2)cc([N+](=O)[O-])c1 ZINC000423975077 458528651 /nfs/dbraw/zinc/52/86/51/458528651.db2.gz BZYYKCVTQIAOKX-UHFFFAOYSA-N 1 0 346.412 3.079 20 5 EGBDRO C[C@@H]1CCN(C(=O)c2cc3ccccc3c3cccnc23)C[C@@H]1C[NH3+] ZINC000424000254 458534173 /nfs/dbraw/zinc/53/41/73/458534173.db2.gz BNWMUTPGMNTYEX-ZBFHGGJFSA-N 1 0 333.435 3.445 20 5 EGBDRO C[C@@H]1CCN(C(=O)c2cc3ccccc3c3cccnc23)C[C@H]1C[NH3+] ZINC000424000236 458534758 /nfs/dbraw/zinc/53/47/58/458534758.db2.gz BNWMUTPGMNTYEX-GDBMZVCRSA-N 1 0 333.435 3.445 20 5 EGBDRO [NH3+][C@H](CCC(=O)NCc1ccccc1[N+](=O)[O-])CC1CCCCC1 ZINC000424088717 458556064 /nfs/dbraw/zinc/55/60/64/458556064.db2.gz UWUIWPLWPLTBKV-MRXNPFEDSA-N 1 0 333.432 3.289 20 5 EGBDRO C[NH+](C)C1(CNCc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCC1 ZINC000438340430 458565434 /nfs/dbraw/zinc/56/54/34/458565434.db2.gz QAOPXPGXOKZJPM-UHFFFAOYSA-N 1 0 329.400 3.429 20 5 EGBDRO COc1ccc(C[C@@](C)([NH3+])CNc2cc(C)c([N+](=O)[O-])cc2F)cc1 ZINC000461963557 458584303 /nfs/dbraw/zinc/58/43/03/458584303.db2.gz YZQRNMMVURMAQJ-GOSISDBHSA-N 1 0 347.390 3.423 20 5 EGBDRO CCC1(CC)CC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000438507993 458587736 /nfs/dbraw/zinc/58/77/36/458587736.db2.gz XEPNUYUDKSBKKH-MRXNPFEDSA-N 1 0 331.416 3.212 20 5 EGBDRO COC(=O)c1cnc([C@@H](C)[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])s1 ZINC000424326597 458615751 /nfs/dbraw/zinc/61/57/51/458615751.db2.gz MELIKOVCXSGAFJ-GHMZBOCLSA-N 1 0 349.412 3.120 20 5 EGBDRO COC(=O)[C@H]1CC12CC[NH+](C/C(C)=C\c1cccc([N+](=O)[O-])c1)CC2 ZINC000470177646 458620772 /nfs/dbraw/zinc/62/07/72/458620772.db2.gz SSNCRTWLWLLUQH-OOXMNIKJSA-N 1 0 344.411 3.273 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000470178872 458621511 /nfs/dbraw/zinc/62/15/11/458621511.db2.gz PBRWEVTZYYSFOF-WZFZXHKMSA-N 1 0 334.441 3.204 20 5 EGBDRO C[C@]1(CO)CCC[N@@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000530359388 458755488 /nfs/dbraw/zinc/75/54/88/458755488.db2.gz GVGDTFIDRNSJRJ-MRXNPFEDSA-N 1 0 333.413 3.065 20 5 EGBDRO COc1ccc(-c2ccc(C[N@@H+]3CCC[C@@]3(C)CO)o2)c([N+](=O)[O-])c1 ZINC000530389856 458758683 /nfs/dbraw/zinc/75/86/83/458758683.db2.gz ULNPCORGCIGYKV-SFHVURJKSA-N 1 0 346.383 3.210 20 5 EGBDRO C[N@@H+]1CC[C@@H]2CCN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)[C@@H]2C1 ZINC000495203032 458811180 /nfs/dbraw/zinc/81/11/80/458811180.db2.gz UOTNQQOPKSAIEV-RDTXWAMCSA-N 1 0 341.411 3.381 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]CCOC(F)(F)F ZINC000474029986 458856299 /nfs/dbraw/zinc/85/62/99/458856299.db2.gz JBXDHWHHHKFQLN-AAEUAGOBSA-N 1 0 332.322 3.432 20 5 EGBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000457080145 458856838 /nfs/dbraw/zinc/85/68/38/458856838.db2.gz CEYIVWXZYZEWEG-FUHWJXTLSA-N 1 0 347.459 3.105 20 5 EGBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@H]2Cc3[nH]c4ccccc4c3C2)cc1 ZINC000555949269 458920768 /nfs/dbraw/zinc/92/07/68/458920768.db2.gz NVDJDPIQXNYMLV-CYBMUJFWSA-N 1 0 337.379 3.212 20 5 EGBDRO CC(C)(C)OC(=O)NC[C@@]1(C)CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000495789245 458955879 /nfs/dbraw/zinc/95/58/79/458955879.db2.gz VIESSDWKKOSBAK-GOSISDBHSA-N 1 0 349.431 3.332 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](CC(C)C)C1 ZINC000467175647 458956538 /nfs/dbraw/zinc/95/65/38/458956538.db2.gz KBTKXZFCLHFBCW-KGLIPLIRSA-N 1 0 349.431 3.298 20 5 EGBDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2F)C1 ZINC000519587478 458968913 /nfs/dbraw/zinc/96/89/13/458968913.db2.gz LBBBVQJCCRZBNS-KBPBESRZSA-N 1 0 336.411 3.220 20 5 EGBDRO CCOC(=O)c1cc(NCCC[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000467745859 458984890 /nfs/dbraw/zinc/98/48/90/458984890.db2.gz ZIXXLEQWDICOJW-UHFFFAOYSA-N 1 0 335.404 3.059 20 5 EGBDRO COc1ccc(CC[C@@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])cc1O ZINC000468009193 458995669 /nfs/dbraw/zinc/99/56/69/458995669.db2.gz JJHPSVIQDNVJRZ-CQSZACIVSA-N 1 0 344.411 3.462 20 5 EGBDRO Cc1ccc(CC[NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)o1 ZINC000531939944 459003817 /nfs/dbraw/zinc/00/38/17/459003817.db2.gz ZEHIGEWKDMMZIQ-GFCCVEGCSA-N 1 0 331.372 3.046 20 5 EGBDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000520310891 459048179 /nfs/dbraw/zinc/04/81/79/459048179.db2.gz QWLPIECYPVFYKR-CQSZACIVSA-N 1 0 333.432 3.225 20 5 EGBDRO C[S@@](=O)c1ccc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000594498929 459063162 /nfs/dbraw/zinc/06/31/62/459063162.db2.gz NIDBOGUJADPHDD-QMHKHESXSA-N 1 0 330.409 3.109 20 5 EGBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCOC[C@H](C3CCC3)C2)cc1 ZINC000590022618 459067614 /nfs/dbraw/zinc/06/76/14/459067614.db2.gz LUMUDDHXKVGIKC-MRXNPFEDSA-N 1 0 334.416 3.112 20 5 EGBDRO C[N@@H+]1CCC[C@@]2(CCN(c3ccc([N+](=O)[O-])c4cccnc43)C2)C1 ZINC000590141885 459092636 /nfs/dbraw/zinc/09/26/36/459092636.db2.gz ADWLIUXXINZMDQ-GOSISDBHSA-N 1 0 326.400 3.065 20 5 EGBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000520831769 459098851 /nfs/dbraw/zinc/09/88/51/459098851.db2.gz ZDHLQANGOXEQJL-UHFFFAOYSA-N 1 0 346.431 3.325 20 5 EGBDRO COC(C)(C)C[C@H](C)[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000532522579 459105129 /nfs/dbraw/zinc/10/51/29/459105129.db2.gz GTOBZHBADSMLPU-STQMWFEESA-N 1 0 337.420 3.105 20 5 EGBDRO CO[C@](C)(C[NH2+]Cc1ccccc1[N+](=O)[O-])COCc1ccccc1 ZINC000594976293 459203051 /nfs/dbraw/zinc/20/30/51/459203051.db2.gz YYBIXWYMKFWYLR-LJQANCHMSA-N 1 0 344.411 3.306 20 5 EGBDRO C[C@@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H]2CCCC[C@@H]12 ZINC000533238758 459204663 /nfs/dbraw/zinc/20/46/63/459204663.db2.gz KDCCVIDTWZNLOQ-UHOFOFEASA-N 1 0 331.416 3.094 20 5 EGBDRO C[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]2CCCC[C@H]12 ZINC000533239857 459206251 /nfs/dbraw/zinc/20/62/51/459206251.db2.gz XBIFMRQCUQJGFP-FMKPAKJESA-N 1 0 331.416 3.434 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCN2Cc2ccccc2)c(F)c1 ZINC000594999721 459209939 /nfs/dbraw/zinc/20/99/39/459209939.db2.gz VJMBYXOATOMPNU-KRWDZBQOSA-N 1 0 329.375 3.098 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCCN1CCCCCC1=O ZINC000595004673 459212450 /nfs/dbraw/zinc/21/24/50/459212450.db2.gz RLRIYMCGDLFKLX-CQSZACIVSA-N 1 0 349.431 3.047 20 5 EGBDRO COCC[C@H](Cc1ccco1)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595032549 459223083 /nfs/dbraw/zinc/22/30/83/459223083.db2.gz MYARKAXGVWRUJJ-ZIAGYGMSSA-N 1 0 348.399 3.495 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCCN2CCCC[C@H]12 ZINC000595047768 459228319 /nfs/dbraw/zinc/22/83/19/459228319.db2.gz SWKNPXAXUNBJMK-IAOVAPTHSA-N 1 0 333.432 3.271 20 5 EGBDRO CC[C@@H](C)[C@H](C)[N@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C1CC1 ZINC000533422403 459232689 /nfs/dbraw/zinc/23/26/89/459232689.db2.gz KFZQLSBWGFWBTJ-OLZOCXBDSA-N 1 0 349.431 3.441 20 5 EGBDRO Cc1cc(NC(=O)N[C@@H](C)C[NH+]2CCCCCC2)ccc1[N+](=O)[O-] ZINC000481122014 459235036 /nfs/dbraw/zinc/23/50/36/459235036.db2.gz ISKPEPHUOZIMST-AWEZNQCLSA-N 1 0 334.420 3.289 20 5 EGBDRO Cc1noc(CN(C)CCOc2ccccc2Cl)c1[N+](=O)[O-] ZINC000595285445 459265946 /nfs/dbraw/zinc/26/59/46/459265946.db2.gz ZBYZODKRQNZAFG-UHFFFAOYSA-N 1 0 325.752 3.055 20 5 EGBDRO CN1CCN(Cc2ccc(F)cc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000595395963 459291406 /nfs/dbraw/zinc/29/14/06/459291406.db2.gz AEQHKEONPIFMAZ-GOSISDBHSA-N 1 0 329.375 3.223 20 5 EGBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000560054872 459296487 /nfs/dbraw/zinc/29/64/87/459296487.db2.gz OPXFUWUWGWXPDV-HNNXBMFYSA-N 1 0 347.459 3.063 20 5 EGBDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000523669234 459321484 /nfs/dbraw/zinc/32/14/84/459321484.db2.gz FSIHYCOHIXGNGR-AWEZNQCLSA-N 1 0 337.395 3.118 20 5 EGBDRO CN(C(=O)C[N@@H+]1CC(C)(C)[C@H]2CCC[C@@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000568658563 459324037 /nfs/dbraw/zinc/32/40/37/459324037.db2.gz WOVFAZFOQKPMFS-HOTGVXAUSA-N 1 0 331.416 3.068 20 5 EGBDRO Cc1ccc([C@H](C)NC(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000595543252 459340130 /nfs/dbraw/zinc/34/01/30/459340130.db2.gz IYUPNNDHUGGXAJ-ZFWWWQNUSA-N 1 0 348.447 3.136 20 5 EGBDRO C[C@H](C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2)CC(F)(F)F ZINC000591265413 459343877 /nfs/dbraw/zinc/34/38/77/459343877.db2.gz ZPZQLOHLZHCACB-VIFPVBQESA-N 1 0 334.294 3.044 20 5 EGBDRO COC1(C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CCOCC1 ZINC000591348219 459358197 /nfs/dbraw/zinc/35/81/97/459358197.db2.gz FGXWVVPDPTYGKE-KRWDZBQOSA-N 1 0 334.416 3.148 20 5 EGBDRO CCC[C@@H](C)C(=O)NCC[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000560556282 459372340 /nfs/dbraw/zinc/37/23/40/459372340.db2.gz IISLZFFGLUDVNH-CQSZACIVSA-N 1 0 335.448 3.360 20 5 EGBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000483714067 459385546 /nfs/dbraw/zinc/38/55/46/459385546.db2.gz NVPYNHWABMTXKO-YCPHGPKFSA-N 1 0 348.447 3.170 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](N[C@H]2CCC[NH2+]CC2)c2ccccc2)c1 ZINC000591578269 459406189 /nfs/dbraw/zinc/40/61/89/459406189.db2.gz JCGZNGJXYMQISE-PKOBYXMFSA-N 1 0 325.412 3.416 20 5 EGBDRO O=[N+]([O-])c1ccc(CN2CCN(c3cc[nH+]c4ccccc43)CC2)cc1 ZINC000582871460 459441270 /nfs/dbraw/zinc/44/12/70/459441270.db2.gz ARTFFVGUMFAZBT-UHFFFAOYSA-N 1 0 348.406 3.465 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@H](C(C)(C)C)C1 ZINC000541386643 459451018 /nfs/dbraw/zinc/45/10/18/459451018.db2.gz GCIGNVLRGAEPBJ-OLZOCXBDSA-N 1 0 349.431 3.298 20 5 EGBDRO CCc1ccc([C@@H]([NH2+]C[C@@H](C)CCO)c2ccc([N+](=O)[O-])cc2)o1 ZINC000541543440 459464462 /nfs/dbraw/zinc/46/44/62/459464462.db2.gz MRKCMTAAZPSZFB-UGSOOPFHSA-N 1 0 332.400 3.448 20 5 EGBDRO O=C(c1cccc2c1C[NH2+]C2)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000595927451 459489031 /nfs/dbraw/zinc/48/90/31/459489031.db2.gz YYFICAXGARLLRQ-UHFFFAOYSA-N 1 0 337.379 3.003 20 5 EGBDRO CSCCCCC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000569792269 459510368 /nfs/dbraw/zinc/51/03/68/459510368.db2.gz WLTOIJBDABGMRD-KBPBESRZSA-N 1 0 326.466 3.398 20 5 EGBDRO CCn1nccc1C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000596095991 459518393 /nfs/dbraw/zinc/51/83/93/459518393.db2.gz SQYWJJCNQFAHEX-WMLDXEAASA-N 1 0 328.416 3.312 20 5 EGBDRO C[C@H](C(=O)NC[C@@H](c1ccsc1)[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000583418173 459534252 /nfs/dbraw/zinc/53/42/52/459534252.db2.gz PKSLQVJKGYRREN-LRDDRELGSA-N 1 0 347.440 3.179 20 5 EGBDRO CC(C)[C@H]1CCC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000542280663 459543708 /nfs/dbraw/zinc/54/37/08/459543708.db2.gz MABYZXWXARILKN-JKSUJKDBSA-N 1 0 336.432 3.093 20 5 EGBDRO C[C@H](C(=O)NCCC[N@@H+]1CCCC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000562385639 459551855 /nfs/dbraw/zinc/55/18/55/459551855.db2.gz ZDAGKFMBWWQRKZ-GJZGRUSLSA-N 1 0 333.432 3.079 20 5 EGBDRO CCc1ccc(C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000592254255 459561005 /nfs/dbraw/zinc/56/10/05/459561005.db2.gz ASBKJFSTKLCJCY-IRXDYDNUSA-N 1 0 345.443 3.009 20 5 EGBDRO O=[N+]([O-])c1cc(F)c(NC[C@@H]2CCC[N@H+](CC3CC3)C2)c(F)c1 ZINC000596569647 459680267 /nfs/dbraw/zinc/68/02/67/459680267.db2.gz ASFLRDPDOFAOEK-LBPRGKRZSA-N 1 0 325.359 3.407 20 5 EGBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@@H]1CCCc2sccc21 ZINC000563014245 459695925 /nfs/dbraw/zinc/69/59/25/459695925.db2.gz RNCWPIIIJMZFJS-GXTWGEPZSA-N 1 0 348.424 3.063 20 5 EGBDRO Cc1c(NC(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)cccc1[N+](=O)[O-] ZINC000596635845 459707172 /nfs/dbraw/zinc/70/71/72/459707172.db2.gz QICUBLUBXONONW-OAHLLOKOSA-N 1 0 346.431 3.147 20 5 EGBDRO Cc1ccc(CCC[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000544071826 459723926 /nfs/dbraw/zinc/72/39/26/459723926.db2.gz ITESOGROQJGNBW-KRWDZBQOSA-N 1 0 340.427 3.417 20 5 EGBDRO CC(C)O[C@@H]1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000573917233 459755380 /nfs/dbraw/zinc/75/53/80/459755380.db2.gz PNFWSQKJJHTQEE-MRXNPFEDSA-N 1 0 331.372 3.249 20 5 EGBDRO Cc1cc(N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000584537197 459764980 /nfs/dbraw/zinc/76/49/80/459764980.db2.gz PGJBGOLSOXKWDA-OLZOCXBDSA-N 1 0 326.400 3.489 20 5 EGBDRO CN(CC[NH+]1CCCCC1)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000593112549 459775943 /nfs/dbraw/zinc/77/59/43/459775943.db2.gz OOGPFKOEKCMTHQ-UHFFFAOYSA-N 1 0 344.415 3.168 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC000596841006 459776319 /nfs/dbraw/zinc/77/63/19/459776319.db2.gz CKEDNRZGRHMNTG-CQSZACIVSA-N 1 0 334.420 3.145 20 5 EGBDRO CC[N@H+](CCC1CC1)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000544897084 459790271 /nfs/dbraw/zinc/79/02/71/459790271.db2.gz CKULLVYTWBEURN-UHFFFAOYSA-N 1 0 325.796 3.309 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CC[NH+]1CCCCC1 ZINC000593218772 459810735 /nfs/dbraw/zinc/81/07/35/459810735.db2.gz VPQYAXOBXIJGEW-UHFFFAOYSA-N 1 0 334.420 3.107 20 5 EGBDRO CC(C)n1ccc(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000574458291 459821799 /nfs/dbraw/zinc/82/17/99/459821799.db2.gz KSZGITDQNWZXSE-QGZVFWFLSA-N 1 0 328.416 3.483 20 5 EGBDRO C[C@@H](C(=O)NCc1ccc(C[NH+](C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000574825026 459878954 /nfs/dbraw/zinc/87/89/54/459878954.db2.gz CLEJVONNBVRASW-CQSZACIVSA-N 1 0 341.411 3.076 20 5 EGBDRO CC(C)[NH2+][C@@H]1CCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000609135842 459908988 /nfs/dbraw/zinc/90/89/88/459908988.db2.gz YCCLQKUHNKOZRQ-CYBMUJFWSA-N 1 0 347.440 3.412 20 5 EGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH+]1CCC(CCO)CC1 ZINC000602438442 459937505 /nfs/dbraw/zinc/93/75/05/459937505.db2.gz QRFJADLPQFWVHJ-UHFFFAOYSA-N 1 0 332.322 3.208 20 5 EGBDRO CC[N@@H+](Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C[C@H]1CCOC1 ZINC000602444695 459941485 /nfs/dbraw/zinc/94/14/85/459941485.db2.gz POLYSNAVEJCXKV-LLVKDONJSA-N 1 0 332.322 3.472 20 5 EGBDRO CCOc1cc(C[N@@H+]2CC[C@@H](c3ccncc3)C2)ccc1[N+](=O)[O-] ZINC000575327579 459961213 /nfs/dbraw/zinc/96/12/13/459961213.db2.gz YURAEXXFYVLNFT-MRXNPFEDSA-N 1 0 327.384 3.378 20 5 EGBDRO CC(C)OCCC[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602499871 459971579 /nfs/dbraw/zinc/97/15/79/459971579.db2.gz UQKZVNRALQTMJN-UHFFFAOYSA-N 1 0 337.239 3.324 20 5 EGBDRO C[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@@H]1CO ZINC000598678443 459989704 /nfs/dbraw/zinc/98/97/04/459989704.db2.gz YKDPOMPBJGNMPV-ZIAGYGMSSA-N 1 0 330.384 3.305 20 5 EGBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[N@H+](C)C[C@@H]1CC ZINC000597604238 460005459 /nfs/dbraw/zinc/00/54/59/460005459.db2.gz ICOMMQXFCKUNFA-SJORKVTESA-N 1 0 347.459 3.106 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC(C)(C)OCC1(C)C ZINC000609672016 460005803 /nfs/dbraw/zinc/00/58/03/460005803.db2.gz USTYCVHRTKPWKU-UHFFFAOYSA-N 1 0 349.431 3.121 20 5 EGBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000618460378 460016771 /nfs/dbraw/zinc/01/67/71/460016771.db2.gz CDIMLHDDENVPDJ-NSHDSACASA-N 1 0 339.823 3.017 20 5 EGBDRO C[C@H]1COCC[C@H]1C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602655221 460045035 /nfs/dbraw/zinc/04/50/35/460045035.db2.gz NKGLAIXJUPZDAF-QWRGUYRKSA-N 1 0 332.322 3.376 20 5 EGBDRO Cc1cc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc(N2CCCC2)n1 ZINC000602669076 460056526 /nfs/dbraw/zinc/05/65/26/460056526.db2.gz ZVOKGWFHWRVESI-UHFFFAOYSA-N 1 0 340.427 3.231 20 5 EGBDRO C[N@@H+]1CC[C@]2(CCN(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2)C1 ZINC000602671785 460057996 /nfs/dbraw/zinc/05/79/96/460057996.db2.gz IKOJVKVZEZPYRG-HNNXBMFYSA-N 1 0 343.349 3.141 20 5 EGBDRO C[C@@H](CCCCO)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602681973 460063724 /nfs/dbraw/zinc/06/37/24/460063724.db2.gz YLMNFNJUJFJJOL-QMMMGPOBSA-N 1 0 337.239 3.060 20 5 EGBDRO C[C@@H]1C[C@@H](C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)[C@@H](C)O1 ZINC000602690778 460067344 /nfs/dbraw/zinc/06/73/44/460067344.db2.gz OLXRWBDXTSIWLW-HLTSFMKQSA-N 1 0 349.250 3.322 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000597859216 460081854 /nfs/dbraw/zinc/08/18/54/460081854.db2.gz BJLNBYGGEQUAFE-CQSZACIVSA-N 1 0 333.432 3.062 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594095162 460099281 /nfs/dbraw/zinc/09/92/81/460099281.db2.gz TZPDHEYWZLFDQM-JKSUJKDBSA-N 1 0 332.404 3.042 20 5 EGBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000610275542 460103181 /nfs/dbraw/zinc/10/31/81/460103181.db2.gz ZCIJALYFMHFPBF-UHFFFAOYSA-N 1 0 332.448 3.391 20 5 EGBDRO C[C@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000602756819 460109418 /nfs/dbraw/zinc/10/94/18/460109418.db2.gz REWBJVKZHXZPAG-CJNGLKHVSA-N 1 0 334.420 3.179 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@@H](c2ccccc2C)C[C@H]1C ZINC000602780212 460121092 /nfs/dbraw/zinc/12/10/92/460121092.db2.gz PVUCEQGJKPKDIQ-ZBFHGGJFSA-N 1 0 328.416 3.286 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCS[C@H](C)[C@H]1c1ccccc1 ZINC000602780950 460122386 /nfs/dbraw/zinc/12/23/86/460122386.db2.gz MKKDDRPVTHXAOJ-DYVFJYSZSA-N 1 0 346.456 3.278 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594197392 460145900 /nfs/dbraw/zinc/14/59/00/460145900.db2.gz NOEHHKRNWXZSEX-CVEARBPZSA-N 1 0 345.443 3.267 20 5 EGBDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000610433592 460151075 /nfs/dbraw/zinc/15/10/75/460151075.db2.gz VUNKJQFKIAIBNZ-GOSISDBHSA-N 1 0 325.412 3.301 20 5 EGBDRO Cc1c([C@H](C)[NH2+][C@H]2Cc3ccccc3NC2=O)cccc1[N+](=O)[O-] ZINC000599073675 460152036 /nfs/dbraw/zinc/15/20/36/460152036.db2.gz HBGPZWAFIQALFX-LRDDRELGSA-N 1 0 325.368 3.117 20 5 EGBDRO Cc1n[nH]cc1[C@@H](C)[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000618798328 460180271 /nfs/dbraw/zinc/18/02/71/460180271.db2.gz PPRYNFCRPGQQHD-MRVPVSSYSA-N 1 0 328.294 3.496 20 5 EGBDRO CSC1CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000602922611 460186521 /nfs/dbraw/zinc/18/65/21/460186521.db2.gz LEVWGPVWWJJPLI-UHFFFAOYSA-N 1 0 337.445 3.059 20 5 EGBDRO CC1(C)C[C@@H]([NH2+][C@@H]2CCN(CC3CC3)C2)c2cc([N+](=O)[O-])ccc21 ZINC000618984271 460242097 /nfs/dbraw/zinc/24/20/97/460242097.db2.gz OOMRWBHPRDCREB-RDTXWAMCSA-N 1 0 329.444 3.391 20 5 EGBDRO CC1(C)C[C@H]([NH2+][C@@H]2CCN(CC3CC3)C2)c2cc([N+](=O)[O-])ccc21 ZINC000618984269 460242338 /nfs/dbraw/zinc/24/23/38/460242338.db2.gz OOMRWBHPRDCREB-KDOFPFPSSA-N 1 0 329.444 3.391 20 5 EGBDRO COc1ccc(CN2CCC[C@@](OC)(C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000614922345 460245440 /nfs/dbraw/zinc/24/54/40/460245440.db2.gz PVBFDIAYGPPHCA-AWEZNQCLSA-N 1 0 348.321 3.147 20 5 EGBDRO C[C@@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])CC[C@@H]1C(=O)OC(C)(C)C ZINC000599580185 460278704 /nfs/dbraw/zinc/27/87/04/460278704.db2.gz DRJFRDAQWJBZNN-HIFRSBDPSA-N 1 0 334.416 3.395 20 5 EGBDRO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC[C@H]1C(=O)OC(C)(C)C ZINC000599586903 460280786 /nfs/dbraw/zinc/28/07/86/460280786.db2.gz KDTCZLBRMDVWEX-XJKSGUPXSA-N 1 0 334.416 3.395 20 5 EGBDRO COc1ccc([C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C2CC2)cn1 ZINC000599702044 460316439 /nfs/dbraw/zinc/31/64/39/460316439.db2.gz WEUWUNATYUHLJK-GOSISDBHSA-N 1 0 327.384 3.282 20 5 EGBDRO COc1ccc(-c2ccc(C[N@@H+]3CCCOC[C@@H]3C)o2)c([N+](=O)[O-])c1 ZINC000611272420 460324035 /nfs/dbraw/zinc/32/40/35/460324035.db2.gz JJNIRJKVJPWYFI-ZDUSSCGKSA-N 1 0 346.383 3.474 20 5 EGBDRO CC[C@H]([NH2+][C@H](C(=O)N1CCCC1)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000611335793 460338824 /nfs/dbraw/zinc/33/88/24/460338824.db2.gz MEBHUGZECCWHGE-IRXDYDNUSA-N 1 0 333.432 3.283 20 5 EGBDRO COc1ccc(C[N@@H+]2CCC[C@@H](c3ccnc(C)n3)C2)cc1[N+](=O)[O-] ZINC000603834580 460344574 /nfs/dbraw/zinc/34/45/74/460344574.db2.gz XBZWCTLMNPTPGK-OAHLLOKOSA-N 1 0 342.399 3.081 20 5 EGBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]Cc1cccc3cc[nH]c31)OCCO2 ZINC000615561098 460346502 /nfs/dbraw/zinc/34/65/02/460346502.db2.gz KKKCERVONNTGRY-UHFFFAOYSA-N 1 0 339.351 3.137 20 5 EGBDRO Cc1noc(C)c1[C@H](C)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000611409148 460357768 /nfs/dbraw/zinc/35/77/68/460357768.db2.gz UJUDGGCIRWYWPZ-NSHDSACASA-N 1 0 346.387 3.187 20 5 EGBDRO COC(=O)C1(C[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)CCCC1 ZINC000615837640 460403670 /nfs/dbraw/zinc/40/36/70/460403670.db2.gz PHSJOPAHVBTZRX-UVTDQMKNSA-N 1 0 332.400 3.321 20 5 EGBDRO C[C@](CO)([NH2+]C[C@@H]1C[C@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000601150080 460734006 /nfs/dbraw/zinc/73/40/06/460734006.db2.gz UEVFJRCOEKPCNW-ZYSHUDEJSA-N 1 0 326.396 3.196 20 5 EGBDRO Cc1ncc([C@@H](C)[NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)s1 ZINC000601299249 460780215 /nfs/dbraw/zinc/78/02/15/460780215.db2.gz WKKGZLLXNUSOSB-GHMZBOCLSA-N 1 0 348.428 3.428 20 5 EGBDRO C[C@H]([NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])[C@@H](O)C(F)(F)F ZINC000601301027 460781620 /nfs/dbraw/zinc/78/16/20/460781620.db2.gz PEAHZPQCDXLJRG-HTTKSJEASA-N 1 0 346.349 3.207 20 5 EGBDRO Cc1ncc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)s1 ZINC000601938162 460952246 /nfs/dbraw/zinc/95/22/46/460952246.db2.gz XPJRMUZWJUTCCV-NXEZZACHSA-N 1 0 334.401 3.038 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCn1ccc(C(F)(F)F)n1 ZINC000601963022 460964332 /nfs/dbraw/zinc/96/43/32/460964332.db2.gz IUXNAKJLSHEWGK-LLVKDONJSA-N 1 0 342.321 3.469 20 5 EGBDRO C[C@H]([NH2+]CC(C)(C)C(N)=O)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000183200645 533827458 /nfs/dbraw/zinc/82/74/58/533827458.db2.gz OBLQBRWYNBTUCU-NSHDSACASA-N 1 0 347.440 3.485 20 5 EGBDRO Cc1ccc(NC(=O)NC2CC[NH+](C3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000175057054 534184363 /nfs/dbraw/zinc/18/43/63/534184363.db2.gz DEPVDRYXPZVJHX-UHFFFAOYSA-N 1 0 346.431 3.432 20 5 EGBDRO CCN(C)C(=O)C[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000186809654 527726316 /nfs/dbraw/zinc/72/63/16/527726316.db2.gz RSNTUGTZFDBQAN-LBPRGKRZSA-N 1 0 347.440 3.452 20 5 EGBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)C1 ZINC000191338455 528253776 /nfs/dbraw/zinc/25/37/76/528253776.db2.gz AIXXFELKAWZTRT-CQSZACIVSA-N 1 0 334.420 3.160 20 5 EGBDRO CC(C)[C@H](CNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000105159821 535006376 /nfs/dbraw/zinc/00/63/76/535006376.db2.gz DYDITAFZPSEFQJ-YOEHRIQHSA-N 1 0 348.447 3.075 20 5 EGBDRO CCN(CC)C(=O)CCC[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000344786796 535418595 /nfs/dbraw/zinc/41/85/95/535418595.db2.gz AXYQZWYFVOIHFQ-QINSGFPZSA-N 1 0 333.432 3.236 20 5 EGBDRO CCN(CCC[NH+](CC)CC)c1ncnc2cccc([N+](=O)[O-])c21 ZINC000350698482 535508054 /nfs/dbraw/zinc/50/80/54/535508054.db2.gz AHVTVDXJCBTJEH-UHFFFAOYSA-N 1 0 331.420 3.096 20 5 EGBDRO CC[N@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)CC1CCC1 ZINC000361480093 535728458 /nfs/dbraw/zinc/72/84/58/535728458.db2.gz BKBSWTSMIWOMFP-UHFFFAOYSA-N 1 0 333.388 3.015 20 5 EGBDRO CC[C@@H](O)CCC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000344479490 535811078 /nfs/dbraw/zinc/81/10/78/535811078.db2.gz KXIFQGQWBXZCNF-OAHLLOKOSA-N 1 0 335.429 3.359 20 5 EGBDRO CC[C@H]1CCC[C@@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000348146845 536075465 /nfs/dbraw/zinc/07/54/65/536075465.db2.gz FWHTWHCUTNNXMX-JSGCOSHPSA-N 1 0 335.404 3.100 20 5 EGBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000266059064 536403930 /nfs/dbraw/zinc/40/39/30/536403930.db2.gz AMPNLGRISZACBO-ZDUSSCGKSA-N 1 0 344.415 3.023 20 5 EGBDRO CO[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000266136084 536602106 /nfs/dbraw/zinc/60/21/06/536602106.db2.gz FLXKJJMNWPSEEE-TZMCWYRMSA-N 1 0 343.221 3.405 20 5 EGBDRO Cc1cc([C@H](C)[NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])c(C)s1 ZINC000182985119 547088597 /nfs/dbraw/zinc/08/85/97/547088597.db2.gz TWMWEFHVCNANIA-JTQLQIEISA-N 1 0 333.413 3.223 20 5 EGBDRO Cc1cccc2c1CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C2 ZINC000729480292 574865258 /nfs/dbraw/zinc/86/52/58/574865258.db2.gz SZODSLLFFTZMRO-UHFFFAOYSA-N 1 0 339.395 3.290 20 5 EGBDRO O=[N+]([O-])c1ccc2nc(N3CCC[C@H]([NH+]4CCCC4)C3)sc2c1 ZINC000729633103 574875189 /nfs/dbraw/zinc/87/51/89/574875189.db2.gz JGQGVAFWRCTZDR-ZDUSSCGKSA-N 1 0 332.429 3.269 20 5 EGBDRO C[C@@](O)(C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000734004054 575421387 /nfs/dbraw/zinc/42/13/87/575421387.db2.gz JRFIXZNQZPCDBC-WLPBJKJWSA-N 1 0 348.349 3.384 20 5 EGBDRO COc1c(C)cnc(COC(=O)c2c(C)cccc2[N+](=O)[O-])c1C ZINC000736750853 576020138 /nfs/dbraw/zinc/02/01/38/576020138.db2.gz IPLGVVUXMKYTON-UHFFFAOYSA-N 1 0 330.340 3.281 20 5 EGBDRO C[C@@H]1CCC[C@@H](C)[N@H+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C1 ZINC000742156027 576752748 /nfs/dbraw/zinc/75/27/48/576752748.db2.gz VPKICQNWBRXCMA-ZIAGYGMSSA-N 1 0 329.404 3.321 20 5 EGBDRO CC[NH+](CC)[C@H](CNc1nc2ccccn2c1[N+](=O)[O-])c1ccco1 ZINC000742564422 576789995 /nfs/dbraw/zinc/78/99/95/576789995.db2.gz KBAIEILUAGBMQC-CYBMUJFWSA-N 1 0 343.387 3.331 20 5 EGBDRO CC(C)CNC(=O)C1CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000743839266 576816468 /nfs/dbraw/zinc/81/64/68/576816468.db2.gz AONQMDPPQKUGBI-AWEZNQCLSA-N 1 0 333.432 3.140 20 5 EGBDRO O=C(C[N@@H+]1CCC[C@H]2CCC[C@@H]21)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000744409387 576827600 /nfs/dbraw/zinc/82/76/00/576827600.db2.gz PNKIPEHKBOJDEE-RISCZKNCSA-N 1 0 337.807 3.451 20 5 EGBDRO O=[N+]([O-])c1ccc(NC(=S)NC2CC[NH+](C3CCCC3)CC2)cc1 ZINC000749007557 1299125491 /nfs/dbraw/zinc/12/54/91/1299125491.db2.gz JEMAKPIBXHGURL-UHFFFAOYSA-N 1 0 348.472 3.288 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ncn(C[N@@H+]3CCC[C@@H]3C3CCCC3)n2)cc1 ZINC000055034814 1291773307 /nfs/dbraw/zinc/77/33/07/1291773307.db2.gz UJHIOEREJKLONQ-QGZVFWFLSA-N 1 0 341.415 3.465 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+]C[C@]2(O)CCc3ccccc32)cc1[N+](=O)[O-] ZINC000090779792 1292806096 /nfs/dbraw/zinc/80/60/96/1292806096.db2.gz ITAKTGSPZLSIPR-AUUYWEPGSA-N 1 0 326.396 3.388 20 5 EGBDRO C[C@@]1(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCCS1 ZINC000120505697 1293324117 /nfs/dbraw/zinc/32/41/17/1293324117.db2.gz ARBYDCNJVCVKHG-KRWDZBQOSA-N 1 0 335.473 3.439 20 5 EGBDRO O=[N+]([O-])c1ccc(C[N@@H+](C[C@@H](O)c2cccc(F)c2)C2CC2)cc1 ZINC000130845782 1293671128 /nfs/dbraw/zinc/67/11/28/1293671128.db2.gz QJFLYLVBBRXDSZ-GOSISDBHSA-N 1 0 330.359 3.432 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[N@@H+](C[C@@H](O)c1cccc(F)c1)C1CC1 ZINC000135240680 1293790533 /nfs/dbraw/zinc/79/05/33/1293790533.db2.gz SIIHBRWKEFHDLH-GOSISDBHSA-N 1 0 330.359 3.432 20 5 EGBDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000152536772 1293972570 /nfs/dbraw/zinc/97/25/70/1293972570.db2.gz FBDYQBGMWGTUCE-LBPRGKRZSA-N 1 0 339.823 3.243 20 5 EGBDRO C[N@H+](CCC(=O)OC(C)(C)C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000154316586 1294049941 /nfs/dbraw/zinc/04/99/41/1294049941.db2.gz DZTNIDNPHRTSGP-UHFFFAOYSA-N 1 0 328.796 3.412 20 5 EGBDRO O=[N+]([O-])c1cn(C[N@H+](C2CC2)C2CCCC2)nc1-c1ccncc1 ZINC000172894934 1294448337 /nfs/dbraw/zinc/44/83/37/1294448337.db2.gz QUFUHVPRFPFHHA-UHFFFAOYSA-N 1 0 327.388 3.218 20 5 EGBDRO CC[NH+](CC)C[C@H](C)NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000921111980 1322258063 /nfs/dbraw/zinc/25/80/63/1322258063.db2.gz MWJGTWBEJXUCMW-JTQLQIEISA-N 1 0 328.800 3.100 20 5 EGBDRO COCC1(CNc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC[NH2+]CC1 ZINC000261800138 1296604232 /nfs/dbraw/zinc/60/42/32/1296604232.db2.gz ZXICATZRDAIVSJ-UHFFFAOYSA-N 1 0 347.337 3.042 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000872022697 1296665374 /nfs/dbraw/zinc/66/53/74/1296665374.db2.gz YPFGQZGCSLZPDH-CHWSQXEVSA-N 1 0 335.473 3.452 20 5 EGBDRO CC[C@@H](C)NC(=O)CC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872029651 1296677083 /nfs/dbraw/zinc/67/70/83/1296677083.db2.gz YXEOFYKJRITPKZ-VXGBXAGGSA-N 1 0 339.461 3.272 20 5 EGBDRO CO[C@@H]1COCC[C@@H]1C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872074911 1296720193 /nfs/dbraw/zinc/72/01/93/1296720193.db2.gz KBJZRPRBBFSFKK-YWPYICTPSA-N 1 0 340.445 3.019 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)Cc1cnn(C)c1 ZINC000872076668 1296721272 /nfs/dbraw/zinc/72/12/72/1296721272.db2.gz PLBCYLJEGUVQHT-RYUDHWBXSA-N 1 0 334.445 3.332 20 5 EGBDRO C[C@@H]1OCC[C@]1(C)[NH2+]Cc1ccc([N+](=O)[O-])cc1Br ZINC000300423673 1296781152 /nfs/dbraw/zinc/78/11/52/1296781152.db2.gz VAZNSVYRUFTDDK-ZANVPECISA-N 1 0 329.194 3.014 20 5 EGBDRO CCc1nn(C)c(CC)c1C[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873098631 1297273212 /nfs/dbraw/zinc/27/32/12/1297273212.db2.gz SUSGXCQLDDVOKG-UHFFFAOYSA-N 1 0 330.432 3.360 20 5 EGBDRO Cc1c(C[NH2+]CC2CCN(CC(F)(F)F)CC2)cccc1[N+](=O)[O-] ZINC000873111879 1297275126 /nfs/dbraw/zinc/27/51/26/1297275126.db2.gz IANHFWMDCXNCQR-UHFFFAOYSA-N 1 0 345.365 3.267 20 5 EGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CCn2ccc(C(F)(F)F)n2)c1 ZINC000873157822 1297308645 /nfs/dbraw/zinc/30/86/45/1297308645.db2.gz JVVBDYPWSRJBJU-UHFFFAOYSA-N 1 0 348.712 3.253 20 5 EGBDRO [NH3+][C@H]1CCCCCN(Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000709016635 1298248213 /nfs/dbraw/zinc/24/82/13/1298248213.db2.gz KSVNWBZDDOKNEW-LBPRGKRZSA-N 1 0 342.237 3.061 20 5 EGBDRO C[C@@H]([NH2+]C[C@@H]1CCN1C(=O)OC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000724953546 1298350007 /nfs/dbraw/zinc/35/00/07/1298350007.db2.gz RXBKKPABTSOOLH-DOMZBBRYSA-N 1 0 335.404 3.255 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)c1csc(C2CC[NH2+]CC2)n1 ZINC000876545678 1298818289 /nfs/dbraw/zinc/81/82/89/1298818289.db2.gz SZSUWYXELUQUHD-UHFFFAOYSA-N 1 0 346.412 3.079 20 5 EGBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H](O)c2ccccc2C(F)(F)F)c1 ZINC000748819586 1299086691 /nfs/dbraw/zinc/08/66/91/1299086691.db2.gz IYHHYFDQLPMRBQ-HNNXBMFYSA-N 1 0 340.301 3.437 20 5 EGBDRO CC[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1OC ZINC000749669353 1299253475 /nfs/dbraw/zinc/25/34/75/1299253475.db2.gz DDPSLTWBMPLWOM-DLBZAZTESA-N 1 0 330.384 3.378 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@H]3CCCCS3)CC2)cc1 ZINC000753571071 1299977539 /nfs/dbraw/zinc/97/75/39/1299977539.db2.gz MFTLXZITZWAZMV-QGZVFWFLSA-N 1 0 335.473 3.439 20 5 EGBDRO CCc1ccc([C@@H](N[C@@H]2CC[N@H+](C)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000753655474 1300001759 /nfs/dbraw/zinc/00/17/59/1300001759.db2.gz TZQOFUHYUHBQOS-KDOFPFPSSA-N 1 0 329.400 3.133 20 5 EGBDRO Cc1cnc([C@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C2CC2)s1 ZINC000754409285 1300140616 /nfs/dbraw/zinc/14/06/16/1300140616.db2.gz IXMKAZCQQOAFCG-LSDHHAIUSA-N 1 0 333.413 3.134 20 5 EGBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1csc2ccccc21 ZINC000754732480 1300203580 /nfs/dbraw/zinc/20/35/80/1300203580.db2.gz CXJKRGBDDOYTLA-GFCCVEGCSA-N 1 0 343.408 3.322 20 5 EGBDRO C[C@@H](C(=O)OCC[C@@H]1CCCC[N@@H+]1C)c1ccc([N+](=O)[O-])cc1F ZINC000755063643 1300275465 /nfs/dbraw/zinc/27/54/65/1300275465.db2.gz NCBKGHLMPNGNJR-OLZOCXBDSA-N 1 0 338.379 3.255 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880203846 1300982682 /nfs/dbraw/zinc/98/26/82/1300982682.db2.gz NNVCZHKSXURDRT-RDJZCZTQSA-N 1 0 347.459 3.197 20 5 EGBDRO O=[N+]([O-])c1c(F)nccc1NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000881751252 1301711427 /nfs/dbraw/zinc/71/14/27/1301711427.db2.gz FCTZPYHGYAZXDV-ZDUSSCGKSA-N 1 0 334.351 3.361 20 5 EGBDRO O=C(CCCC[NH+]1CCCC1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000764310955 1302042761 /nfs/dbraw/zinc/04/27/61/1302042761.db2.gz KYLWRKRWTWWCLZ-UHFFFAOYSA-N 1 0 345.443 3.352 20 5 EGBDRO CC1(c2cccc(C[NH2+]Cc3cccc([N+](=O)[O-])c3)c2)OCCO1 ZINC000883127360 1302261814 /nfs/dbraw/zinc/26/18/14/1302261814.db2.gz SOFAGVQFNQPDQU-UHFFFAOYSA-N 1 0 328.368 3.104 20 5 EGBDRO C[N@@H+]1CCC[C@@H]2CN(c3nc4ccc([N+](=O)[O-])cc4s3)CC[C@@H]21 ZINC000765547131 1302281105 /nfs/dbraw/zinc/28/11/05/1302281105.db2.gz ZTYSSDQVLVGBFX-RISCZKNCSA-N 1 0 332.429 3.125 20 5 EGBDRO Cc1c(NC(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)cccc1[N+](=O)[O-] ZINC000765645565 1302295913 /nfs/dbraw/zinc/29/59/13/1302295913.db2.gz HSOGBJWZYDZAJH-CQSZACIVSA-N 1 0 332.404 3.042 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H]2CCOc3c(Cl)cccc32)cc1 ZINC000765850359 1302340798 /nfs/dbraw/zinc/34/07/98/1302340798.db2.gz XNKADTPGEFCPEB-JKSUJKDBSA-N 1 0 348.786 3.395 20 5 EGBDRO Cc1c([C@H](C)[NH2+]C2CN(C(=O)OC(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000766527912 1302469090 /nfs/dbraw/zinc/46/90/90/1302469090.db2.gz ZXGVKWUTLAARIO-LBPRGKRZSA-N 1 0 335.404 3.173 20 5 EGBDRO CC(C)CC[C@@H]1CCC[N@@H+]1Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000767760478 1302757609 /nfs/dbraw/zinc/75/76/09/1302757609.db2.gz XMOVSBGLWOFYPD-ZDUSSCGKSA-N 1 0 333.388 3.361 20 5 EGBDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)Cc2cnccn2)cc1[N+](=O)[O-] ZINC000768100416 1302825076 /nfs/dbraw/zinc/82/50/76/1302825076.db2.gz ULRLKKNZRDPRAO-OLZOCXBDSA-N 1 0 330.388 3.065 20 5 EGBDRO CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000769300021 1303088634 /nfs/dbraw/zinc/08/86/34/1303088634.db2.gz UIHOYDMPTRXQJD-MRXNPFEDSA-N 1 0 349.431 3.426 20 5 EGBDRO CC(C)[C@H]1C[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCO1 ZINC000772472755 1303537523 /nfs/dbraw/zinc/53/75/23/1303537523.db2.gz LZFLIIKIQOIMQG-VQIMIIECSA-N 1 0 347.459 3.357 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](CO)C[C@H](O)c1ccccc1 ZINC000773110122 1303625777 /nfs/dbraw/zinc/62/57/77/1303625777.db2.gz VJSCUEHEPSHMMS-GMBSWORKSA-N 1 0 344.411 3.038 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](CO)C[C@@H](O)c1ccccc1 ZINC000773110124 1303625994 /nfs/dbraw/zinc/62/59/94/1303625994.db2.gz VJSCUEHEPSHMMS-URLQWDBASA-N 1 0 344.411 3.038 20 5 EGBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000775930316 1304063182 /nfs/dbraw/zinc/06/31/82/1304063182.db2.gz PXECRFASRPJNIB-MRXNPFEDSA-N 1 0 349.431 3.330 20 5 EGBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000888288122 1304102450 /nfs/dbraw/zinc/10/24/50/1304102450.db2.gz BXKCKLNVMRFBDL-NSHDSACASA-N 1 0 340.811 3.020 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCCO[C@H](c3ccccc3)C2)cc1 ZINC000776276532 1304126525 /nfs/dbraw/zinc/12/65/25/1304126525.db2.gz JKGXURMZQPSJGK-OALUTQOASA-N 1 0 342.395 3.092 20 5 EGBDRO C[N@H+](CCCOc1ccccc1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776275987 1304126625 /nfs/dbraw/zinc/12/66/25/1304126625.db2.gz JJWYHHJZTCYSBE-GOSISDBHSA-N 1 0 330.384 3.029 20 5 EGBDRO COc1ccc([C@H](C)[N@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000776277240 1304126815 /nfs/dbraw/zinc/12/68/15/1304126815.db2.gz QBOOHXUMWCJRMO-SCLBCKFNSA-N 1 0 330.384 3.330 20 5 EGBDRO COc1ccccc1C[C@H](C)[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776588586 1304176187 /nfs/dbraw/zinc/17/61/87/1304176187.db2.gz MICUMDXGJXDYCJ-KBXCAEBGSA-N 1 0 344.411 3.200 20 5 EGBDRO CO[C@H](C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)C(F)(F)F ZINC000777013798 1304232316 /nfs/dbraw/zinc/23/23/16/1304232316.db2.gz XJYICZLPLKQYPC-GXTWGEPZSA-N 1 0 332.322 3.083 20 5 EGBDRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000779607208 1304586270 /nfs/dbraw/zinc/58/62/70/1304586270.db2.gz JGCRLHHLKYIBNW-CQSZACIVSA-N 1 0 340.811 3.052 20 5 EGBDRO CSc1cccc(C(=O)N2CCC([NH2+]C3CCC3)CC2)c1[N+](=O)[O-] ZINC000889827293 1304599017 /nfs/dbraw/zinc/59/90/17/1304599017.db2.gz FCVKWINYQPPJHD-UHFFFAOYSA-N 1 0 349.456 3.063 20 5 EGBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC([NH2+]C3CCC3)CC2)c1 ZINC000889837667 1304601291 /nfs/dbraw/zinc/60/12/91/1304601291.db2.gz DJNXEXHRDHNJQS-UHFFFAOYSA-N 1 0 349.456 3.063 20 5 EGBDRO C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000781214801 1304791933 /nfs/dbraw/zinc/79/19/33/1304791933.db2.gz NSYUKILALCVMLE-OLZOCXBDSA-N 1 0 349.406 3.117 20 5 EGBDRO CCOCOc1ccc(C[NH2+]CCc2ccccc2[N+](=O)[O-])cc1 ZINC000782961050 1305031419 /nfs/dbraw/zinc/03/14/19/1305031419.db2.gz FEHPHZGJHPSKJE-UHFFFAOYSA-N 1 0 330.384 3.300 20 5 EGBDRO COc1c(O)ccc(C[N@H+](C)[C@H]2CCc3ccccc32)c1[N+](=O)[O-] ZINC000891558301 1305088855 /nfs/dbraw/zinc/08/88/55/1305088855.db2.gz FGDXFCJENXHQAP-HNNXBMFYSA-N 1 0 328.368 3.428 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ncn(C[N@@H+]3CCCC4(CCCC4)C3)n2)cc1 ZINC000783543484 1305104770 /nfs/dbraw/zinc/10/47/70/1305104770.db2.gz QLZLVIBEHLFPLU-UHFFFAOYSA-N 1 0 341.415 3.467 20 5 EGBDRO COc1ccccc1OCC[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783583128 1305111784 /nfs/dbraw/zinc/11/17/84/1305111784.db2.gz FKRNDLMWYDAJQI-UHFFFAOYSA-N 1 0 336.775 3.425 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](O)c2c(F)cccc2F)cc1Cl ZINC000783636075 1305121393 /nfs/dbraw/zinc/12/13/93/1305121393.db2.gz LQHQBSHHJALRCI-CQSZACIVSA-N 1 0 342.729 3.350 20 5 EGBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@@H](O)C(F)(F)F ZINC000783653286 1305122841 /nfs/dbraw/zinc/12/28/41/1305122841.db2.gz ZVGMXLYKLWDBCZ-MWLCHTKSSA-N 1 0 326.702 3.040 20 5 EGBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@H](O)C(F)(F)F ZINC000783653285 1305123399 /nfs/dbraw/zinc/12/33/99/1305123399.db2.gz ZVGMXLYKLWDBCZ-KOLCDFICSA-N 1 0 326.702 3.040 20 5 EGBDRO CC(C)c1ccc(C(=O)NC[C@@H](C)[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000784357008 1305233750 /nfs/dbraw/zinc/23/37/50/1305233750.db2.gz YDFNGUORWLTBCQ-CQSZACIVSA-N 1 0 333.432 3.322 20 5 EGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCCN(c2ncccc2F)CC1 ZINC000784400877 1305241527 /nfs/dbraw/zinc/24/15/27/1305241527.db2.gz SNRZMEARHQEXRY-AWEZNQCLSA-N 1 0 344.390 3.402 20 5 EGBDRO Cc1cc(F)ncc1CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000892109910 1305252508 /nfs/dbraw/zinc/25/25/08/1305252508.db2.gz GLBDEGBMERCODF-UHFFFAOYSA-N 1 0 345.374 3.481 20 5 EGBDRO CC(=O)c1cc([N+](=O)[O-])ccc1NCCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000786800219 1305631862 /nfs/dbraw/zinc/63/18/62/1305631862.db2.gz KVHCUKQTFAFURG-ZIAGYGMSSA-N 1 0 349.431 3.099 20 5 EGBDRO CC1(C)[C@H](C(F)(F)F)CC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000787322714 1305732199 /nfs/dbraw/zinc/73/21/99/1305732199.db2.gz RYMUNXOHMZOADX-CHWSQXEVSA-N 1 0 332.322 3.291 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(C2(C)OCCO2)CC1 ZINC000787405677 1305742016 /nfs/dbraw/zinc/74/20/16/1305742016.db2.gz FXLDHZREMRRHOS-NTCAYCPXSA-N 1 0 346.427 3.473 20 5 EGBDRO C[C@@H](Cc1cnccn1)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000788575582 1305973520 /nfs/dbraw/zinc/97/35/20/1305973520.db2.gz BHZNBJMVYHKHSY-YVEFUNNKSA-N 1 0 326.400 3.328 20 5 EGBDRO CO[C@@H](C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C(F)(F)F ZINC000788597283 1305979332 /nfs/dbraw/zinc/97/93/32/1305979332.db2.gz WFBLPSPYXBHNLH-STQMWFEESA-N 1 0 332.322 3.484 20 5 EGBDRO COc1c(O)ccc(C[NH2+]Cc2cccc(CSC)c2)c1[N+](=O)[O-] ZINC000893889227 1306114747 /nfs/dbraw/zinc/11/47/47/1306114747.db2.gz YCPZRXPVVLFUGJ-UHFFFAOYSA-N 1 0 348.424 3.462 20 5 EGBDRO COC1(C[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCOCC1 ZINC000811485143 1318183965 /nfs/dbraw/zinc/18/39/65/1318183965.db2.gz XDZNBDSUNRCFPK-UHFFFAOYSA-N 1 0 349.214 3.187 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCO[C@H]3CCCCO3)o2)cc1 ZINC000894799619 1309078870 /nfs/dbraw/zinc/07/88/70/1309078870.db2.gz OLNABOLQHSNSCP-SFHVURJKSA-N 1 0 346.383 3.488 20 5 EGBDRO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@H+](C1CC1)C1CCCCC1 ZINC000794618970 1309556333 /nfs/dbraw/zinc/55/63/33/1309556333.db2.gz DEVUUBXDSKEZPJ-UHFFFAOYSA-N 1 0 331.372 3.257 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CC[C@H](C4OCCO4)C3)o2)c1 ZINC000896383902 1309831752 /nfs/dbraw/zinc/83/17/52/1309831752.db2.gz GQQIWYIVMGSMME-AWEZNQCLSA-N 1 0 344.367 3.050 20 5 EGBDRO Cc1cc(CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc(Cl)n1 ZINC000797591902 1310215367 /nfs/dbraw/zinc/21/53/67/1310215367.db2.gz WHJNHJAIRUYUHZ-CYBMUJFWSA-N 1 0 347.806 3.033 20 5 EGBDRO C[C@H]1CCC[N@@H+]1CCNc1ccc([N+](=O)[O-])cc1Br ZINC000798393759 1310353482 /nfs/dbraw/zinc/35/34/82/1310353482.db2.gz YTTOQROUCQHVAD-JTQLQIEISA-N 1 0 328.210 3.254 20 5 EGBDRO O=C(OCCC[NH+]1CCCCC1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000800191186 1310696654 /nfs/dbraw/zinc/69/66/54/1310696654.db2.gz XKVBYELXJMZDPE-UHFFFAOYSA-N 1 0 331.372 3.109 20 5 EGBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2cc(N)ccc2[N+](=O)[O-])C1 ZINC000800847597 1310818190 /nfs/dbraw/zinc/81/81/90/1310818190.db2.gz JHZZDVUMBAKDHR-XJKSGUPXSA-N 1 0 326.400 3.424 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)c1C ZINC000898782135 1310843385 /nfs/dbraw/zinc/84/33/85/1310843385.db2.gz ILDPLLFUBORORI-HNNXBMFYSA-N 1 0 345.443 3.348 20 5 EGBDRO O=[N+]([O-])c1ccc(CN2CC[NH+](CCc3cccs3)CC2)cc1F ZINC000801512201 1310951647 /nfs/dbraw/zinc/95/16/47/1310951647.db2.gz PQUVDRWUKQGKHL-UHFFFAOYSA-N 1 0 349.431 3.156 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000824753284 1320283222 /nfs/dbraw/zinc/28/32/22/1320283222.db2.gz KAHJTJZSSSEFHA-UHFFFAOYSA-N 1 0 345.443 3.063 20 5 EGBDRO Cc1c(NC(=O)N2CC[N@@H+](C)C[C@H]2CC(C)C)cccc1[N+](=O)[O-] ZINC000929221613 1328541255 /nfs/dbraw/zinc/54/12/55/1328541255.db2.gz SKJWEGZSVQELCC-CQSZACIVSA-N 1 0 334.420 3.097 20 5 EGBDRO Cc1c(NC(=O)N2CCCC3(CC[NH+](C)CC3)C2)cccc1[N+](=O)[O-] ZINC000929223026 1328541394 /nfs/dbraw/zinc/54/13/94/1328541394.db2.gz NTTCUBWHHOUVGY-UHFFFAOYSA-N 1 0 346.431 3.243 20 5 EGBDRO CC(C)(CNC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000929350431 1328576845 /nfs/dbraw/zinc/57/68/45/1328576845.db2.gz QRYLPCDDIPIYBA-DLBZAZTESA-N 1 0 345.443 3.079 20 5 EGBDRO CC[C@@H](C)[NH2+][C@H](CNc1nc2ccccn2c1[N+](=O)[O-])c1ccco1 ZINC000804780441 1317280483 /nfs/dbraw/zinc/28/04/83/1317280483.db2.gz BVYMBAKYMALZOY-CHWSQXEVSA-N 1 0 343.387 3.377 20 5 EGBDRO C[N@@H+]1CCCC[C@H]1CCOC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000808466674 1317683589 /nfs/dbraw/zinc/68/35/89/1317683589.db2.gz KJESHECYGVALES-HNNXBMFYSA-N 1 0 347.415 3.200 20 5 EGBDRO CC1(C)CC(CC(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)C1 ZINC001020503829 1317732707 /nfs/dbraw/zinc/73/27/07/1317732707.db2.gz UZAQNFSIXXLTSW-WKILWMFISA-N 1 0 345.443 3.158 20 5 EGBDRO C[C@@H]1C[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])nc3)cc2)C[C@@H](C)O1 ZINC000904799829 1317900511 /nfs/dbraw/zinc/90/05/11/1317900511.db2.gz RRHWZHAFGNOVQB-ZIAGYGMSSA-N 1 0 327.384 3.266 20 5 EGBDRO C[C@@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])nc3)cc2)C[C@H](C)O1 ZINC000904799828 1317900831 /nfs/dbraw/zinc/90/08/31/1317900831.db2.gz RRHWZHAFGNOVQB-OKILXGFUSA-N 1 0 327.384 3.266 20 5 EGBDRO CC[N@@H+]1CCN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C[C@H]1C ZINC000809966339 1317926100 /nfs/dbraw/zinc/92/61/00/1317926100.db2.gz YDAMOUFILGAGAC-SNVBAGLBSA-N 1 0 332.231 3.428 20 5 EGBDRO CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@@H]2[NH2+]CC[N+](=O)[O-] ZINC000905231119 1317938808 /nfs/dbraw/zinc/93/88/08/1317938808.db2.gz OZDYFZNCKFKHSL-HNNXBMFYSA-N 1 0 335.404 3.277 20 5 EGBDRO CC(=O)N(C)c1ccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000858495004 1328779253 /nfs/dbraw/zinc/77/92/53/1328779253.db2.gz QZRAWFDZYBOUFV-CYBMUJFWSA-N 1 0 327.384 3.428 20 5 EGBDRO CC(=O)N(C)c1ccc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000858498233 1328780329 /nfs/dbraw/zinc/78/03/29/1328780329.db2.gz MMSKRQISHFVNIY-GOSISDBHSA-N 1 0 339.395 3.355 20 5 EGBDRO C[N@@H+]1CCC[C@]2(CCN(c3ccc([N+](=O)[O-])cc3OC(F)F)C2)C1 ZINC000814910115 1318846235 /nfs/dbraw/zinc/84/62/35/1318846235.db2.gz QYYGQQPSVAGKNZ-INIZCTEOSA-N 1 0 341.358 3.118 20 5 EGBDRO Cc1ncc2c(n1)CCC[C@H]2[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815581444 1319021245 /nfs/dbraw/zinc/02/12/45/1319021245.db2.gz GLAATWXILBANKN-MEBBXXQBSA-N 1 0 327.388 3.004 20 5 EGBDRO C[C@H]([NH2+]C[C@@H]1COC2(CCCCCC2)O1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815609214 1319027545 /nfs/dbraw/zinc/02/75/45/1319027545.db2.gz AKJBOBKNMRTAQC-DZGCQCFKSA-N 1 0 349.431 3.294 20 5 EGBDRO COc1ccc2c(c1)CC[C@@H]([NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)C2 ZINC000815615824 1319028288 /nfs/dbraw/zinc/02/82/88/1319028288.db2.gz YIXQKXXWXHGJBJ-MLGOLLRUSA-N 1 0 341.411 3.394 20 5 EGBDRO CC(C)[NH+](CCNC(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000913859181 1319151676 /nfs/dbraw/zinc/15/16/76/1319151676.db2.gz MDJKWCUPNOVJOP-CQSZACIVSA-N 1 0 336.436 3.074 20 5 EGBDRO C[NH+](C)CC1(CNC(=O)c2cccc([N+](=O)[O-])c2Cl)CCCC1 ZINC000816971289 1319256662 /nfs/dbraw/zinc/25/66/62/1319256662.db2.gz YRQZEDLBGXNCDM-UHFFFAOYSA-N 1 0 339.823 3.100 20 5 EGBDRO C[C@@H]1C[C@@H](CO)CN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000817281728 1319312726 /nfs/dbraw/zinc/31/27/26/1319312726.db2.gz OJDOPBXYVREKCN-NXEZZACHSA-N 1 0 333.215 3.352 20 5 EGBDRO C[C@H]1C[C@H](CO)CN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000817281729 1319313370 /nfs/dbraw/zinc/31/33/70/1319313370.db2.gz OJDOPBXYVREKCN-UWVGGRQHSA-N 1 0 333.215 3.352 20 5 EGBDRO Cc1nc(C[NH3+])ccc1[C@@H](C)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000817906917 1319458540 /nfs/dbraw/zinc/45/85/40/1319458540.db2.gz GXPUZUNSKPUAFY-SNVBAGLBSA-N 1 0 334.807 3.261 20 5 EGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1nn(CC)nc1C ZINC000818345945 1319533358 /nfs/dbraw/zinc/53/33/58/1319533358.db2.gz YOWLYQSFOLQHLK-ZDUSSCGKSA-N 1 0 349.460 3.175 20 5 EGBDRO COc1ccc(C(C)(C)C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000818984850 1319605238 /nfs/dbraw/zinc/60/52/38/1319605238.db2.gz LZKOVPHVMGLXHO-GOSISDBHSA-N 1 0 344.411 3.204 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2CCCOc3ccccc32)c1 ZINC000818993598 1319608715 /nfs/dbraw/zinc/60/87/15/1319608715.db2.gz KLSYFMLKPBORFV-IAGOWNOFSA-N 1 0 328.368 3.132 20 5 EGBDRO CC(C)[C@H](CNC[C@@H](O)c1cccc([N+](=O)[O-])c1)[NH+]1CCCCCC1 ZINC000819018500 1319614901 /nfs/dbraw/zinc/61/49/01/1319614901.db2.gz YPOMSZCQHXEMKY-RBUKOAKNSA-N 1 0 349.475 3.118 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]Cc2ccccc2OCC2CC2)c1 ZINC000819093177 1319633567 /nfs/dbraw/zinc/63/35/67/1319633567.db2.gz KIDPJXXYTPXIDJ-SFHVURJKSA-N 1 0 342.395 3.207 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2CCCc3ccc(F)cc32)c1 ZINC000819277133 1319686989 /nfs/dbraw/zinc/68/69/89/1319686989.db2.gz AVBMRXDDGZGLAI-QZTJIDSGSA-N 1 0 330.359 3.435 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@H]2CCCCC(F)(F)C2)cc1 ZINC000819325482 1319696946 /nfs/dbraw/zinc/69/69/46/1319696946.db2.gz FCJFNEGUTBAOHF-WFASDCNBSA-N 1 0 328.359 3.433 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@H]2CSc3ccccc32)c1 ZINC000819337503 1319702313 /nfs/dbraw/zinc/70/23/13/1319702313.db2.gz SLWPEDCKGXUMJC-CZUORRHYSA-N 1 0 330.409 3.107 20 5 EGBDRO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000917082203 1319752011 /nfs/dbraw/zinc/75/20/11/1319752011.db2.gz KNUHCKFBRQUGFK-IYBDPMFKSA-N 1 0 341.386 3.302 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000820303340 1319865495 /nfs/dbraw/zinc/86/54/95/1319865495.db2.gz PQJJVDDEVUUOAM-INIZCTEOSA-N 1 0 345.443 3.160 20 5 EGBDRO C[C@H]1CSC[C@H]1[NH2+]Cc1c(Br)cccc1[N+](=O)[O-] ZINC000930456348 1328859973 /nfs/dbraw/zinc/85/99/73/1328859973.db2.gz SGVGMQNBGKRFIM-GZMMTYOYSA-N 1 0 331.235 3.198 20 5 EGBDRO Cc1c(NC(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000822531630 1320095223 /nfs/dbraw/zinc/09/52/23/1320095223.db2.gz HPKGIIPOAYNUIZ-CQSZACIVSA-N 1 0 346.431 3.432 20 5 EGBDRO CN(C(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)C(C)(C)C[NH+]1CCCC1 ZINC000822952780 1320140159 /nfs/dbraw/zinc/14/01/59/1320140159.db2.gz NKZPHMHUOSBCMM-SJORKVTESA-N 1 0 345.443 3.031 20 5 EGBDRO CC(C)(c1nc(-c2ccc([N+](=O)[O-])o2)no1)[C@@H]([NH3+])c1ccccc1 ZINC000823270149 1320167017 /nfs/dbraw/zinc/16/70/17/1320167017.db2.gz NUFCOWJEGIEUEN-ZDUSSCGKSA-N 1 0 328.328 3.215 20 5 EGBDRO CC[NH+](CC)CCCCNC(=O)c1c(F)c(C)cc([N+](=O)[O-])c1F ZINC000827516012 1320458172 /nfs/dbraw/zinc/45/81/72/1320458172.db2.gz SKTHMKJEOAVSML-UHFFFAOYSA-N 1 0 343.374 3.033 20 5 EGBDRO CC[N@@H+]1CCC[C@H](CNC(=O)c2cc(Cl)c(C)cc2[N+](=O)[O-])C1 ZINC000836530509 1320500367 /nfs/dbraw/zinc/50/03/67/1320500367.db2.gz XDZBYMPUMOSEHW-GFCCVEGCSA-N 1 0 339.823 3.018 20 5 EGBDRO COc1c(C(=O)OC[C@H]2CCCC[N@@H+]2C(C)C)cccc1[N+](=O)[O-] ZINC000837699857 1320669675 /nfs/dbraw/zinc/66/96/75/1320669675.db2.gz QBCMLHWGESRCRG-CYBMUJFWSA-N 1 0 336.388 3.023 20 5 EGBDRO C[C@H](CCCc1cccnc1)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000839144628 1320879492 /nfs/dbraw/zinc/87/94/92/1320879492.db2.gz IQCKLILUETZWIU-KDOFPFPSSA-N 1 0 329.400 3.024 20 5 EGBDRO C[C@H](Cc1cccc(F)c1)[N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000839196698 1320891963 /nfs/dbraw/zinc/89/19/63/1320891963.db2.gz XISJNALNCIGKKZ-FZKQIMNGSA-N 1 0 332.375 3.330 20 5 EGBDRO Cc1nn(C[N@@H+]2CC[C@@H](CC(C)(C)C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000840149753 1321038966 /nfs/dbraw/zinc/03/89/66/1321038966.db2.gz LWVZTMXNAKWGEP-ZDUSSCGKSA-N 1 0 331.420 3.364 20 5 EGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@H](CO)c1ccc(F)cc1 ZINC000840962502 1321188049 /nfs/dbraw/zinc/18/80/49/1321188049.db2.gz HVQWWBGZNAMQFJ-CYBMUJFWSA-N 1 0 338.766 3.253 20 5 EGBDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000841012061 1321199995 /nfs/dbraw/zinc/19/99/95/1321199995.db2.gz YNUIVGQZNPKXTI-GFCCVEGCSA-N 1 0 328.800 3.085 20 5 EGBDRO O=[N+]([O-])c1ccc(Cl)cc1CNc1ccc2c(c1)C[NH2+]CCO2 ZINC000841083684 1321216082 /nfs/dbraw/zinc/21/60/82/1321216082.db2.gz XSNZIYKDOJQZIR-UHFFFAOYSA-N 1 0 333.775 3.342 20 5 EGBDRO CN(C(=O)c1cc([N+](=O)[O-])ccc1Cl)C(C)(C)C[NH+]1CCCC1 ZINC000841367430 1321265170 /nfs/dbraw/zinc/26/51/70/1321265170.db2.gz UDXVSCCPNOTEDA-UHFFFAOYSA-N 1 0 339.823 3.195 20 5 EGBDRO COC(=O)N1CCC[C@H]([NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000841748358 1321306752 /nfs/dbraw/zinc/30/67/52/1321306752.db2.gz WXWVOBSVAFBRFU-WMLDXEAASA-N 1 0 347.415 3.183 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCOc1cccnc1)CCCC2 ZINC000841761888 1321308475 /nfs/dbraw/zinc/30/84/75/1321308475.db2.gz HHWUTQMFWNCCCW-SFHVURJKSA-N 1 0 327.384 3.426 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2cnn(C[N@@H+]3CC[C@@H](c4cccnc4)C3)c2)cc1 ZINC000842627868 1321409023 /nfs/dbraw/zinc/40/90/23/1321409023.db2.gz LZWXXCCCWDDJBD-QGZVFWFLSA-N 1 0 349.394 3.300 20 5 EGBDRO CN(Cc1c(Br)cccc1[N+](=O)[O-])C1CCC([NH3+])CC1 ZINC000843055669 1321462787 /nfs/dbraw/zinc/46/27/87/1321462787.db2.gz KEKIQAJLHJOWBZ-UHFFFAOYSA-N 1 0 342.237 3.059 20 5 EGBDRO Cc1c(Cc2noc(C[C@@H](C)[C@@H]3CCC[NH2+]C3)n2)cccc1[N+](=O)[O-] ZINC000843191109 1321484612 /nfs/dbraw/zinc/48/46/12/1321484612.db2.gz CSLVPVNKRLWKBH-IUODEOHRSA-N 1 0 344.415 3.055 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCC[C@H]2CC2(Cl)Cl)c1 ZINC000844276343 1321584359 /nfs/dbraw/zinc/58/43/59/1321584359.db2.gz FYNGVYVQARUOLT-WCQYABFASA-N 1 0 333.215 3.192 20 5 EGBDRO C[C@H]1CN(Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)CC2(CCC2)O1 ZINC000848489811 1321964665 /nfs/dbraw/zinc/96/46/65/1321964665.db2.gz SJIXNNXSELFQOP-AWEZNQCLSA-N 1 0 342.399 3.059 20 5 EGBDRO CO[C@H]1CC[N@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)CC1(C)C ZINC000848488899 1321964680 /nfs/dbraw/zinc/96/46/80/1321964680.db2.gz NQXFPPKXAXSJDB-KRWDZBQOSA-N 1 0 344.415 3.163 20 5 EGBDRO C[C@@H](C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000848549854 1321974136 /nfs/dbraw/zinc/97/41/36/1321974136.db2.gz WATFITWPHWXTBH-FZMZJTMJSA-N 1 0 335.404 3.085 20 5 EGBDRO C[C@@H](C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000848549856 1321974212 /nfs/dbraw/zinc/97/42/12/1321974212.db2.gz WATFITWPHWXTBH-SMDDNHRTSA-N 1 0 335.404 3.085 20 5 EGBDRO C[C@H](C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000848565298 1321976900 /nfs/dbraw/zinc/97/69/00/1321976900.db2.gz IJZSCBKKJPPIDR-SNVBAGLBSA-N 1 0 328.796 3.316 20 5 EGBDRO COC(=O)Cc1ccccc1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000848570629 1321977609 /nfs/dbraw/zinc/97/76/09/1321977609.db2.gz AKPORZQSFPJMEA-CYBMUJFWSA-N 1 0 328.368 3.161 20 5 EGBDRO COc1ccc(CNC(=[NH2+])Nc2cc(F)ccc2F)cc1[N+](=O)[O-] ZINC000849079561 1322068762 /nfs/dbraw/zinc/06/87/62/1322068762.db2.gz CLUXQXCEALVFHV-UHFFFAOYSA-N 1 0 336.298 3.018 20 5 EGBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000919965116 1322123137 /nfs/dbraw/zinc/12/31/37/1322123137.db2.gz OAFWYZAGUATPCD-UPJWGTAASA-N 1 0 336.392 3.281 20 5 EGBDRO C[C@H](CN(C)C(=O)OC(C)(C)C)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000850416982 1322243527 /nfs/dbraw/zinc/24/35/27/1322243527.db2.gz IWAANEMDDSQTON-QQBNSCQMSA-N 1 0 349.431 3.453 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](C)[C@H](O)c1ccccc1 ZINC000850469532 1322254476 /nfs/dbraw/zinc/25/44/76/1322254476.db2.gz RXELHDFCMKFKMB-JCGVRSQUSA-N 1 0 330.384 3.376 20 5 EGBDRO CC(C)(C)N1CC[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000850495016 1322258034 /nfs/dbraw/zinc/25/80/34/1322258034.db2.gz VBBFTCAEOAPDMD-INIZCTEOSA-N 1 0 346.475 3.026 20 5 EGBDRO CC[NH+](CC)C[C@@H](C)NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000921111983 1322258140 /nfs/dbraw/zinc/25/81/40/1322258140.db2.gz MWJGTWBEJXUCMW-SNVBAGLBSA-N 1 0 328.800 3.100 20 5 EGBDRO C[C@@H]([NH2+]C[C@@H](O)c1cc(F)c(F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000850583993 1322274174 /nfs/dbraw/zinc/27/41/74/1322274174.db2.gz PMCSECBBLVFQRP-RFAUZJTJSA-N 1 0 340.301 3.396 20 5 EGBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@](O)(c3ccccc3)C2)c(F)c1 ZINC000859586351 1329027089 /nfs/dbraw/zinc/02/70/89/1329027089.db2.gz NGMFEUMDVRVAFI-SFHVURJKSA-N 1 0 330.359 3.218 20 5 EGBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000923308175 1322730842 /nfs/dbraw/zinc/73/08/42/1322730842.db2.gz FMKPHFFIWUOCIT-GXTWGEPZSA-N 1 0 345.424 3.118 20 5 EGBDRO COc1cc(N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c([N+](=O)[O-])cc1C ZINC000853454935 1325095813 /nfs/dbraw/zinc/09/58/13/1325095813.db2.gz MHTMDBNBSYHWIF-ZBFHGGJFSA-N 1 0 345.443 3.365 20 5 EGBDRO CC[NH+](CC)CCCNC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000854178963 1325225820 /nfs/dbraw/zinc/22/58/20/1325225820.db2.gz XBRJKRQUJIAHDC-UHFFFAOYSA-N 1 0 327.812 3.018 20 5 EGBDRO Cc1cc(F)cc(C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)c1[N+](=O)[O-] ZINC000855810408 1325418993 /nfs/dbraw/zinc/41/89/93/1325418993.db2.gz YGJZFQYWCMROEP-CQSZACIVSA-N 1 0 349.406 3.179 20 5 EGBDRO CCON1CCC([NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000926304183 1325508606 /nfs/dbraw/zinc/50/86/06/1325508606.db2.gz RPXZXBHKVBLPRJ-UHFFFAOYSA-N 1 0 347.337 3.119 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H](c1cnn(C)c1)C(C)C ZINC000927065552 1327837828 /nfs/dbraw/zinc/83/78/28/1327837828.db2.gz GCEICICSILYFBF-PXAZEXFGSA-N 1 0 332.404 3.385 20 5 EGBDRO O=[N+]([O-])c1ccn(C2CCN(c3cc[nH+]cc3C(F)(F)F)CC2)n1 ZINC000865732844 1329733671 /nfs/dbraw/zinc/73/36/71/1329733671.db2.gz LVYKNMHDBMJJBL-UHFFFAOYSA-N 1 0 341.293 3.047 20 5 EGBDRO CCOc1ccc(NC(=O)C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000932179522 1329791382 /nfs/dbraw/zinc/79/13/82/1329791382.db2.gz IZQUBHYRESSMIR-CYBMUJFWSA-N 1 0 343.383 3.283 20 5 EGBDRO C[C@H](COCC1CCCCC1)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000932420625 1329813220 /nfs/dbraw/zinc/81/32/20/1329813220.db2.gz CMHKMSKTUMADJV-RDTXWAMCSA-N 1 0 336.432 3.203 20 5 EGBDRO O=[N+]([O-])c1ccc(OCCC[NH2+][C@H](c2ccncc2)C2CC2)cc1 ZINC000934686316 1329999680 /nfs/dbraw/zinc/99/96/80/1329999680.db2.gz HLVLTTGMSZUURW-SFHVURJKSA-N 1 0 327.384 3.500 20 5 EGBDRO CCn1nc(C)c(C[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])c1C ZINC000866256830 1330086443 /nfs/dbraw/zinc/08/64/43/1330086443.db2.gz QCODYVWYZXQMIR-LLVKDONJSA-N 1 0 334.395 3.288 20 5 EGBDRO Cc1nccn1C[C@@H](C)C[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866259076 1330086725 /nfs/dbraw/zinc/08/67/25/1330086725.db2.gz GMVJZWNTUJTLNC-QWHCGFSZSA-N 1 0 334.395 3.096 20 5 EGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCC(=O)Nc1ccccc1 ZINC000866266677 1330087744 /nfs/dbraw/zinc/08/77/44/1330087744.db2.gz OEZHOVIWQHGWPO-CYBMUJFWSA-N 1 0 345.374 3.283 20 5 EGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000866311439 1330094606 /nfs/dbraw/zinc/09/46/06/1330094606.db2.gz KYVRZSGWYIPCDL-HWHUXHBOSA-N 1 0 334.391 3.212 20 5 EGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@]1(C)CCO[C@H]1C1CC1 ZINC000866339345 1330098576 /nfs/dbraw/zinc/09/85/76/1330098576.db2.gz AHXRJOPFJLRHDW-UUWFMWQGSA-N 1 0 336.407 3.460 20 5 EGBDRO C[N@@H+](Cc1ccccc1[N+](=O)[O-])CC1CCN(C(=O)CC2CC2)CC1 ZINC001029925123 1341121869 /nfs/dbraw/zinc/12/18/69/1341121869.db2.gz DZNBODITMWCBMM-UHFFFAOYSA-N 1 0 345.443 3.065 20 5 EGBDRO CC/C=C(/C)C(=O)N1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001199586252 1369241389 /nfs/dbraw/zinc/24/13/89/1369241389.db2.gz SUUZZAAYEVXWCY-NSIKDUERSA-N 1 0 331.416 3.032 20 5 EGBDRO O=C(CC1CC1)NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC001115378156 1370418028 /nfs/dbraw/zinc/41/80/28/1370418028.db2.gz WYNUHWYBFFPPHL-UHFFFAOYSA-N 1 0 345.443 3.304 20 5 EGBDRO CC(C)CCC(=O)N1CCC(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001204438086 1370477834 /nfs/dbraw/zinc/47/78/34/1370477834.db2.gz ZSVZXDITYUPABL-UHFFFAOYSA-N 1 0 347.459 3.359 20 5 EGBDRO C[NH+]1CCN(Cc2ccccc2Nc2cccc([N+](=O)[O-])c2)CC1 ZINC001204457513 1370482335 /nfs/dbraw/zinc/48/23/35/1370482335.db2.gz ZFWUCAQGBCGVPL-UHFFFAOYSA-N 1 0 326.400 3.086 20 5 EGBDRO CCOC(=O)c1cc(N2CCC([NH+](CC)CC)CC2)ccc1[N+](=O)[O-] ZINC001116465290 1370918155 /nfs/dbraw/zinc/91/81/55/1370918155.db2.gz JYHFROVJCYLCIA-UHFFFAOYSA-N 1 0 349.431 3.082 20 5 EGBDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC001116753152 1370967800 /nfs/dbraw/zinc/96/78/00/1370967800.db2.gz MWGHRDRMGJOPPS-SVGFKBNWSA-N 1 0 346.427 3.237 20 5 EGBDRO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC001326085464 1388110991 /nfs/dbraw/zinc/11/09/91/1388110991.db2.gz UHUDVNJHZBYPHS-HOCLYGCPSA-N 1 0 348.447 3.002 20 5 EGBDRO COc1cccc2cc(C[NH2+]C[C@H](O)c3ccc([N+](=O)[O-])cc3)oc21 ZINC001326146566 1388119582 /nfs/dbraw/zinc/11/95/82/1388119582.db2.gz MKTZMKMWUIYPID-INIZCTEOSA-N 1 0 342.351 3.173 20 5 EGBDRO O=C(OCc1ccc(F)cc1[N+](=O)[O-])[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001118461929 1371184933 /nfs/dbraw/zinc/18/49/33/1371184933.db2.gz ZAYKAUWZWGQISQ-OAHLLOKOSA-N 1 0 336.363 3.184 20 5 EGBDRO CC(C)=CC(=O)NC1CC2(C1)CC([NH2+]Cc1csc([N+](=O)[O-])c1)C2 ZINC001120570874 1371615889 /nfs/dbraw/zinc/61/58/89/1371615889.db2.gz NTOFUWUQXSBUPV-UHFFFAOYSA-N 1 0 349.456 3.140 20 5 EGBDRO CC(C)=CC(=O)NC1CC2(C1)CC([NH2+]Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001120577036 1371617855 /nfs/dbraw/zinc/61/78/55/1371617855.db2.gz UMZYSRJPLDPBJE-UHFFFAOYSA-N 1 0 343.427 3.078 20 5 EGBDRO CC[NH+](CC)C1CCN(C(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC001326375586 1388170883 /nfs/dbraw/zinc/17/08/83/1388170883.db2.gz LBMPOQCEOAAYSJ-AWEZNQCLSA-N 1 0 333.432 3.031 20 5 EGBDRO O[C@@H]1C[NH2+]CCN(Cc2ccc3ccc4cccc5ccc2c3c45)C1 ZINC001210400309 1372343145 /nfs/dbraw/zinc/34/31/45/1372343145.db2.gz TYQZEFYZDKPTQC-LJQANCHMSA-N 1 0 330.431 3.350 20 5 EGBDRO C[NH+]1CCN(c2ccc(F)cc2Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC001216483946 1373310376 /nfs/dbraw/zinc/31/03/76/1373310376.db2.gz VWENKIVNIXCZBF-UHFFFAOYSA-N 1 0 348.353 3.368 20 5 EGBDRO O=c1oc2cc(O[C@@H]3CCC[NH2+]C[C@H]3F)ccc2c2ccccc12 ZINC001217943915 1373514575 /nfs/dbraw/zinc/51/45/75/1373514575.db2.gz CHTYWYOEJRHMGZ-IAGOWNOFSA-N 1 0 327.355 3.415 20 5 EGBDRO C[C@H]1C[NH2+]CCC[C@@H]1Oc1cc(Br)cc([N+](=O)[O-])c1 ZINC001217985730 1373526608 /nfs/dbraw/zinc/52/66/08/1373526608.db2.gz CLWVHIYYLFRYMM-ZANVPECISA-N 1 0 329.194 3.124 20 5 EGBDRO C[C@H]1C[NH2+]CCC[C@H]1Oc1ccc([N+](=O)[O-])c(Br)c1 ZINC001217987152 1373527375 /nfs/dbraw/zinc/52/73/75/1373527375.db2.gz HUGQIHZSAAZEEP-TVQRCGJNSA-N 1 0 329.194 3.124 20 5 EGBDRO C[C@H]1C[C@H](Oc2ccc(C(=O)OC(C)(C)C)cc2[N+](=O)[O-])CC[NH2+]1 ZINC001218054474 1373548952 /nfs/dbraw/zinc/54/89/52/1373548952.db2.gz ZUBYZQLXUGJDDT-WCQYABFASA-N 1 0 336.388 3.069 20 5 EGBDRO O=[N+]([O-])c1cc(O[C@H]2CSC3(C[NH2+]C3)C2)c(Cl)cc1Cl ZINC001218093533 1373558862 /nfs/dbraw/zinc/55/88/62/1373558862.db2.gz AWRYXKLFSAZFMY-SSDOTTSWSA-N 1 0 335.212 3.128 20 5 EGBDRO O=[N+]([O-])c1cc(O[C@@H]2CSC3(C[NH2+]C3)C2)c(Cl)cc1Cl ZINC001218093534 1373558986 /nfs/dbraw/zinc/55/89/86/1373558986.db2.gz AWRYXKLFSAZFMY-ZETCQYMHSA-N 1 0 335.212 3.128 20 5 EGBDRO O=[N+]([O-])c1cc2nc(O[C@H]3CCC[C@@]34CC[NH2+]C4)[nH]c2cc1Cl ZINC001218097967 1373560157 /nfs/dbraw/zinc/56/01/57/1373560157.db2.gz WKGQJKOWMPUNHB-ZFWWWQNUSA-N 1 0 336.779 3.036 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)c(O[C@H]2CSC3(C[NH2+]C3)C2)cc1Cl ZINC001218104526 1373562205 /nfs/dbraw/zinc/56/22/05/1373562205.db2.gz UWGYZCANMCJELY-SSDOTTSWSA-N 1 0 335.212 3.128 20 5 EGBDRO CCC(C)(C)c1cc([N+](=O)[O-])c(O[C@@H]2C[C@H]3C[C@@H]2C[NH2+]3)c([N+](=O)[O-])c1 ZINC001218112950 1373562829 /nfs/dbraw/zinc/56/28/29/1373562829.db2.gz XDKIHFNWCRKWFY-IXPVHAAZSA-N 1 0 349.387 3.320 20 5 EGBDRO CCc1c(Cl)cc([N+](=O)[O-])c(OCCO[C@@H]2CC[NH2+]C2)c1Cl ZINC001218389544 1373605345 /nfs/dbraw/zinc/60/53/45/1373605345.db2.gz ZSKUCAJOJSPBPA-SECBINFHSA-N 1 0 349.214 3.221 20 5 EGBDRO C[C@H]1CC[C@@H](Oc2cc(C(=O)OC(C)(C)C)ccc2[N+](=O)[O-])C[NH2+]1 ZINC001218403641 1373608189 /nfs/dbraw/zinc/60/81/89/1373608189.db2.gz XYKJQSWJWDKAQA-WCQYABFASA-N 1 0 336.388 3.069 20 5 EGBDRO CCC(C)(C)c1cc([N+](=O)[O-])c(O[C@H]2[C@@H]3CC[C@H]2[NH2+]C3)c([N+](=O)[O-])c1 ZINC001218446012 1373614212 /nfs/dbraw/zinc/61/42/12/1373614212.db2.gz FGFGDBRWIGDZJV-HCKVZZMMSA-N 1 0 349.387 3.320 20 5 EGBDRO Cc1cc(Br)cc([N+](=O)[O-])c1O[C@@H]1CC[C@@H]2C[NH2+]C[C@H]12 ZINC001218466111 1373619615 /nfs/dbraw/zinc/61/96/15/1373619615.db2.gz LHANKJGBXJWLDK-SUZMYJTESA-N 1 0 341.205 3.043 20 5 EGBDRO [NH3+][C@@H](Cc1c2ccccc2cc2ccccc21)C(=O)Nc1ncccn1 ZINC001218495588 1373626107 /nfs/dbraw/zinc/62/61/07/1373626107.db2.gz PINQMOQFPXREEW-IBGZPJMESA-N 1 0 342.402 3.292 20 5 EGBDRO O=[N+]([O-])c1cccc(O[C@H]2CC[C@H]([NH+]3CCOCC3)CC2)c1Cl ZINC001225789924 1375156153 /nfs/dbraw/zinc/15/61/53/1375156153.db2.gz XNIGVKKGIBFYJR-JOCQHMNTSA-N 1 0 340.807 3.270 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)cnc1O[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001226130271 1375208217 /nfs/dbraw/zinc/20/82/17/1375208217.db2.gz KGSWGWRCDKJOIS-CQSZACIVSA-N 1 0 333.775 3.297 20 5 EGBDRO CO[C@@H]1CC[N@H+](CCOc2ccc3c(c2)oc(=O)c2ccccc32)C1 ZINC001226515911 1375272921 /nfs/dbraw/zinc/27/29/21/1375272921.db2.gz XBDCOZRWDXEHOY-OAHLLOKOSA-N 1 0 339.391 3.046 20 5 EGBDRO COc1cc(O[C@@H](CC[NH+](C)C)c2ccccc2)ncc1[N+](=O)[O-] ZINC001226580847 1375285097 /nfs/dbraw/zinc/28/50/97/1375285097.db2.gz GLGLCDYNHBYHGE-HNNXBMFYSA-N 1 0 331.372 3.070 20 5 EGBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Oc1ncc(F)cc1[N+](=O)[O-] ZINC001226752078 1375325224 /nfs/dbraw/zinc/32/52/24/1375325224.db2.gz XITBECRISSHZJD-SUMWQHHRSA-N 1 0 345.374 3.418 20 5 EGBDRO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1Oc1ncc(F)cc1[N+](=O)[O-] ZINC001226755943 1375325569 /nfs/dbraw/zinc/32/55/69/1375325569.db2.gz NHRZLKJEMSTTRF-GUYCJALGSA-N 1 0 345.374 3.418 20 5 EGBDRO C[NH+]1CCC2(CC[C@H](COc3cc([N+](=O)[O-])ccc3Cl)O2)CC1 ZINC001226807491 1375340722 /nfs/dbraw/zinc/34/07/22/1375340722.db2.gz PEOHSHZHVAYYQA-CYBMUJFWSA-N 1 0 340.807 3.270 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1O[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001227183832 1375404052 /nfs/dbraw/zinc/40/40/52/1375404052.db2.gz XAIQDUSVLHVIEY-INIZCTEOSA-N 1 0 328.368 3.257 20 5 EGBDRO CC(C)[N@@H+]1CC[C@@H](Oc2ncnc3cc(Cl)c([N+](=O)[O-])cc32)C1 ZINC001227364183 1375422712 /nfs/dbraw/zinc/42/27/12/1375422712.db2.gz MYQRXZWLIYQXNC-SNVBAGLBSA-N 1 0 336.779 3.053 20 5 EGBDRO CC[N@@H+]1CCC[C@@H](Oc2ccc(OC(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001227603099 1375451156 /nfs/dbraw/zinc/45/11/56/1375451156.db2.gz DBQXMYYRGHVIMI-LLVKDONJSA-N 1 0 334.294 3.357 20 5 EGBDRO CC[NH+](CC)C[C@H](C)Oc1cc(Br)cc([N+](=O)[O-])c1 ZINC001229144531 1375773905 /nfs/dbraw/zinc/77/39/05/1375773905.db2.gz FPZHQGVIAVBMDR-JTQLQIEISA-N 1 0 331.210 3.466 20 5 EGBDRO C[C@@H](C[N+](C)(C)C)Oc1nc(=S)[nH]c2sc3c(c21)CCCC3 ZINC001229287209 1375800853 /nfs/dbraw/zinc/80/08/53/1375800853.db2.gz GRISGOWKSFJBDD-JTQLQIEISA-O 1 0 338.522 3.332 20 5 EGBDRO Cc1ccc(O[C@H](C)C[N+](C)(C)C)c(I)c1 ZINC001229989007 1375926247 /nfs/dbraw/zinc/92/62/47/1375926247.db2.gz CUWWFMMGDWMRAS-LLVKDONJSA-N 1 0 334.221 3.073 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCCCC2)cc1O[C@@H]1C[NH+]2CCC1CC2 ZINC001234367502 1376821734 /nfs/dbraw/zinc/82/17/34/1376821734.db2.gz HGGJJKSGGPPFDU-GOSISDBHSA-N 1 0 331.416 3.058 20 5 EGBDRO CO[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC001327538811 1388554794 /nfs/dbraw/zinc/55/47/94/1388554794.db2.gz YMRNJGMVDGWSOU-ZDUSSCGKSA-N 1 0 343.221 3.358 20 5 EGBDRO CC(C)(C)CC(C)(C)C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001151938610 1379819275 /nfs/dbraw/zinc/81/92/75/1379819275.db2.gz OOWVYMWOIRVPFR-UHFFFAOYSA-N 1 0 335.448 3.263 20 5 EGBDRO Cc1cc(Cl)c([N+](=O)[O-])c(-n2c3ccccc3nc2[C@H](C)[NH3+])n1 ZINC001155247576 1380428911 /nfs/dbraw/zinc/42/89/11/1380428911.db2.gz JNEQPOXAZUERLJ-VIFPVBQESA-N 1 0 331.763 3.310 20 5 EGBDRO CC(C)(C)CCCC(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001155702076 1380484623 /nfs/dbraw/zinc/48/46/23/1380484623.db2.gz OSTKIMKCQLAHHF-UHFFFAOYSA-N 1 0 335.448 3.407 20 5 EGBDRO COc1cc(C)nc(-n2c(C)c(C)c3cc(C[NH3+])ccc32)c1[N+](=O)[O-] ZINC001155901458 1380504052 /nfs/dbraw/zinc/50/40/52/1380504052.db2.gz DLHUFXLKXISUEV-UHFFFAOYSA-N 1 0 340.383 3.326 20 5 EGBDRO O=[N+]([O-])c1cccc2nc(N3CC[NH2+]C[C@H]3c3cccs3)ccc21 ZINC001156098109 1380524513 /nfs/dbraw/zinc/52/45/13/1380524513.db2.gz OXXJQJVAUGMMRF-HNNXBMFYSA-N 1 0 340.408 3.355 20 5 EGBDRO O=[N+]([O-])c1cccc(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)n1 ZINC001156316790 1380557375 /nfs/dbraw/zinc/55/73/75/1380557375.db2.gz ZCBDZHCNVVCULJ-IXDOHACOSA-N 1 0 338.411 3.312 20 5 EGBDRO [NH3+]Cc1cnc2c(ccn2-c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)c1 ZINC001156609625 1380599673 /nfs/dbraw/zinc/59/96/73/1380599673.db2.gz WAXHHJZPEOBVDS-UHFFFAOYSA-N 1 0 345.362 3.454 20 5 EGBDRO C[N@@H+]1CCC[C@H]2CN(c3ccc4c(ccc(Cl)c4[N+](=O)[O-])n3)C[C@@H]21 ZINC001157266832 1380827873 /nfs/dbraw/zinc/82/78/73/1380827873.db2.gz XVFRUPREEJBQGO-NHYWBVRUSA-N 1 0 346.818 3.327 20 5 EGBDRO C[N@@H+]1CCC[C@@H]2CN(c3cc(Cl)nc4ccc([N+](=O)[O-])cc43)C[C@H]21 ZINC001157272935 1380828717 /nfs/dbraw/zinc/82/87/17/1380828717.db2.gz SVIFJWFSIDGNNS-BDJLRTHQSA-N 1 0 346.818 3.327 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)cnc1N(Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC001157425559 1380882262 /nfs/dbraw/zinc/88/22/62/1380882262.db2.gz AJOHVIAGJIVDHV-OAHLLOKOSA-N 1 0 346.818 3.402 20 5 EGBDRO O=[N+]([O-])c1cnc(Cl)cc1N(Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC001157426105 1380882443 /nfs/dbraw/zinc/88/24/43/1380882443.db2.gz OBWWETONSBBHBR-AWEZNQCLSA-N 1 0 346.818 3.402 20 5 EGBDRO CC1(CC(=O)NCCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC001157462052 1380910147 /nfs/dbraw/zinc/91/01/47/1380910147.db2.gz PULIOLKUQAVSAF-UHFFFAOYSA-N 1 0 333.432 3.161 20 5 EGBDRO CCC[NH+]1C[C@H]2CN(c3cc(C)c4cc([N+](=O)[O-])ccc4n3)C[C@@H]2C1 ZINC001157692964 1381004809 /nfs/dbraw/zinc/00/48/09/1381004809.db2.gz ZYYMLSUSXICXAH-GJZGRUSLSA-N 1 0 340.427 3.229 20 5 EGBDRO C[C@H]1[C@@H]([NH3+])CCCN1c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)nn1 ZINC001157743678 1381019132 /nfs/dbraw/zinc/01/91/32/1381019132.db2.gz DIZZJCUFLIQFGB-GWCFXTLKSA-N 1 0 347.806 3.021 20 5 EGBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2CC[NH2+][C@H](c3ccccc3)C2)n1 ZINC001157759907 1381024682 /nfs/dbraw/zinc/02/46/82/1381024682.db2.gz WKSGPBVNXIMNCH-AWEZNQCLSA-N 1 0 332.791 3.103 20 5 EGBDRO C[NH+](C)[C@H]1CCCC[C@@H]1NC(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1 ZINC001157795510 1381035651 /nfs/dbraw/zinc/03/56/51/1381035651.db2.gz NIWLVECHRWWCLJ-QWRGUYRKSA-N 1 0 348.781 3.155 20 5 EGBDRO C[NH+](C)CC(C)(C)CNc1ccc(-c2ccc([N+](=O)[O-])cc2)nn1 ZINC001157945126 1381077365 /nfs/dbraw/zinc/07/73/65/1381077365.db2.gz WOVSYQDWJJHTSH-UHFFFAOYSA-N 1 0 329.404 3.052 20 5 EGBDRO CC(C)N(c1cc(Cl)nc2ccc([N+](=O)[O-])cc21)[C@@H]1CC[NH2+]C1 ZINC001158032483 1381108199 /nfs/dbraw/zinc/10/81/99/1381108199.db2.gz GAQBFWJJOCLUFT-GFCCVEGCSA-N 1 0 334.807 3.373 20 5 EGBDRO Cc1c[nH+]ccc1N1CCN(c2ccc3c(cccc3[N+](=O)[O-])n2)CC1 ZINC001158105816 1381129555 /nfs/dbraw/zinc/12/95/55/1381129555.db2.gz JVNHAHUQAQYOFC-UHFFFAOYSA-N 1 0 349.394 3.173 20 5 EGBDRO CC1(C)C[C@@H](Nc2ncnc3ccc([N+](=O)[O-])cc32)C[C@](C)(C[NH3+])C1 ZINC001158268733 1381179046 /nfs/dbraw/zinc/17/90/46/1381179046.db2.gz QSJBHYVHAAUXDW-XIKOKIGWSA-N 1 0 343.431 3.494 20 5 EGBDRO CC1(C)C[C@H](Nc2cnc3ccc([N+](=O)[O-])cc3n2)C[C@@](C)(C[NH3+])C1 ZINC001158269573 1381179539 /nfs/dbraw/zinc/17/95/39/1381179539.db2.gz SKMNQKGOELWJAH-KPZWWZAWSA-N 1 0 343.431 3.494 20 5 EGBDRO C[C@@H]([NH3+])c1ccn(-c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)n1 ZINC001158357206 1381216020 /nfs/dbraw/zinc/21/60/20/1381216020.db2.gz XUCIGXLGZWICDU-SNVBAGLBSA-N 1 0 327.319 3.001 20 5 EGBDRO C[NH+]1CCC(N(c2nccc(Cl)c2[N+](=O)[O-])C2CCCC2)CC1 ZINC001158485696 1381263974 /nfs/dbraw/zinc/26/39/74/1381263974.db2.gz PTNMPFONHOBFDH-UHFFFAOYSA-N 1 0 338.839 3.486 20 5 EGBDRO O=[N+]([O-])c1cc(F)ccc1Nc1cccnc1OC1CC[NH2+]CC1 ZINC001159241791 1381741472 /nfs/dbraw/zinc/74/14/72/1381741472.db2.gz GVCYAHNUBZRDNS-UHFFFAOYSA-N 1 0 332.335 3.003 20 5 EGBDRO O=[N+]([O-])c1cc(F)ccc1Nc1ccc(OCC2CC[NH2+]CC2)nc1 ZINC001159343545 1381771685 /nfs/dbraw/zinc/77/16/85/1381771685.db2.gz JLIGRUXRKCVKKM-UHFFFAOYSA-N 1 0 346.362 3.251 20 5 EGBDRO [NH3+][C@H]1CCCN(c2ccc(Nc3cc(F)cc([N+](=O)[O-])c3)cc2)C1 ZINC001159987136 1381960289 /nfs/dbraw/zinc/96/02/89/1381960289.db2.gz UJBJXMOGRNBZAL-ZDUSSCGKSA-N 1 0 330.363 3.405 20 5 EGBDRO Cc1cc(Cl)c([N+](=O)[O-])c(-n2c(CC[NH3+])cc3ccccc32)n1 ZINC001160124946 1382005300 /nfs/dbraw/zinc/00/53/00/1382005300.db2.gz QAIMAHFCACDGIY-UHFFFAOYSA-N 1 0 330.775 3.397 20 5 EGBDRO O=[N+]([O-])c1ccc(F)c(Nc2cccc3c2[C@H]2C[NH2+]C[C@@H]2O3)c1F ZINC001160400087 1382094969 /nfs/dbraw/zinc/09/49/69/1382094969.db2.gz PMXLEMFVRVNTGX-SDBXPKJASA-N 1 0 333.294 3.064 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(N[C@H]3CC[N@@H+](C4CCC4)C3)nn2)cc1 ZINC001161177645 1382326370 /nfs/dbraw/zinc/32/63/70/1382326370.db2.gz VDNGYWYVVZUCNZ-AWEZNQCLSA-N 1 0 339.399 3.091 20 5 EGBDRO CC(C)(Nc1cc2c(cc1[N+](=O)[O-])C[NH2+]C2)C(=O)c1ccccc1 ZINC001162638127 1382818033 /nfs/dbraw/zinc/81/80/33/1382818033.db2.gz SXRCYDWJQSCHFP-UHFFFAOYSA-N 1 0 325.368 3.271 20 5 EGBDRO C[C@@H]([NH3+])c1nc2ccccc2n1-c1ccc(N(C)C)cc1[N+](=O)[O-] ZINC001162778053 1382869958 /nfs/dbraw/zinc/86/99/58/1382869958.db2.gz XMQBCRSGZCLHAF-LLVKDONJSA-N 1 0 325.372 3.019 20 5 EGBDRO Cc1cc(Cl)c([N+](=O)[O-])c(-n2cnc(-c3ccc(C[NH3+])cc3)c2)n1 ZINC001163215966 1382994647 /nfs/dbraw/zinc/99/46/47/1382994647.db2.gz SOANRNGMJROJNC-UHFFFAOYSA-N 1 0 343.774 3.263 20 5 EGBDRO CCCCC(=O)NCCC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001163464369 1383057624 /nfs/dbraw/zinc/05/76/24/1383057624.db2.gz FOGQISARNFXHTB-UHFFFAOYSA-N 1 0 333.432 3.161 20 5 EGBDRO CC/C=C(\C)C(=O)NCCC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001163677274 1383104274 /nfs/dbraw/zinc/10/42/74/1383104274.db2.gz XHNDZPIEKNTPMW-SYZQJQIISA-N 1 0 345.443 3.327 20 5 EGBDRO C[C@]1(C[NH3+])CCCN(c2cc3ncnc(Cl)c3cc2[N+](=O)[O-])CC1 ZINC001164242039 1383170332 /nfs/dbraw/zinc/17/03/32/1383170332.db2.gz HMTZYNSDRKCLII-INIZCTEOSA-N 1 0 349.822 3.147 20 5 EGBDRO C[C@@]1(C[NH3+])CCCN(C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)CC1 ZINC001164241863 1383170539 /nfs/dbraw/zinc/17/05/39/1383170539.db2.gz FWTXUCXAQWWWNQ-CYBMUJFWSA-N 1 0 348.781 3.143 20 5 EGBDRO Cc1cc(N2CC[NH+](C(C)(C)C)CC2)nc2ccc([N+](=O)[O-])cc12 ZINC001165087880 1383226231 /nfs/dbraw/zinc/22/62/31/1383226231.db2.gz JTHYOZOAXHHLCH-UHFFFAOYSA-N 1 0 328.416 3.372 20 5 EGBDRO CN(CC[NH+]1CCCC1)c1nc2ccccc2c(Cl)c1[N+](=O)[O-] ZINC001165140083 1383235886 /nfs/dbraw/zinc/23/58/86/1383235886.db2.gz GZMWXGXQMBMQQE-UHFFFAOYSA-N 1 0 334.807 3.328 20 5 EGBDRO Clc1ccc2ccc3ccc(-n4ncc5c4CC[NH2+]C5)nc3c2n1 ZINC001165219532 1383251898 /nfs/dbraw/zinc/25/18/98/1383251898.db2.gz UTRQQFHGUKADTD-UHFFFAOYSA-N 1 0 335.798 3.268 20 5 EGBDRO CCc1ccccc1C(=O)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001165328295 1383274267 /nfs/dbraw/zinc/27/42/67/1383274267.db2.gz SBVLKJKTKYKWIU-UHFFFAOYSA-N 1 0 347.440 3.128 20 5 EGBDRO CC(C)[NH+]1CCC(CNc2ccc3nsnc3c2[N+](=O)[O-])CC1 ZINC001166623762 1383448799 /nfs/dbraw/zinc/44/87/99/1383448799.db2.gz VGVBKPYRSTVYDM-UHFFFAOYSA-N 1 0 335.433 3.132 20 5 EGBDRO COc1c(F)cc(NCC2CC[NH+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC001166622852 1383448814 /nfs/dbraw/zinc/44/88/14/1383448814.db2.gz IHBKMRQBQYDHQC-UHFFFAOYSA-N 1 0 325.384 3.275 20 5 EGBDRO O=[N+]([O-])c1ccc(-n2ccnc2[C@@H]2CCC[NH2+]C2)nc1-c1ccccc1 ZINC001167059375 1383530852 /nfs/dbraw/zinc/53/08/52/1383530852.db2.gz CNBDTUKMTOKIJR-OAHLLOKOSA-N 1 0 349.394 3.310 20 5 EGBDRO CCOC(=O)c1cc(NCCC[N@@H+]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC001167753352 1383731790 /nfs/dbraw/zinc/73/17/90/1383731790.db2.gz HHLYMFUNEXPPOL-AWEZNQCLSA-N 1 0 349.431 3.448 20 5 EGBDRO COC(=O)c1cc(NCCC[N@@H+]2CCCC[C@@H]2C)cc([N+](=O)[O-])c1 ZINC001167754349 1383732048 /nfs/dbraw/zinc/73/20/48/1383732048.db2.gz WNPNQTSBFVLOPU-ZDUSSCGKSA-N 1 0 335.404 3.058 20 5 EGBDRO Cc1ccc2c(ccnc2-n2cnc3ccc(C[NH3+])cc32)c1[N+](=O)[O-] ZINC001168840677 1384029322 /nfs/dbraw/zinc/02/93/22/1384029322.db2.gz HXXWQANJUZWEBI-UHFFFAOYSA-N 1 0 333.351 3.249 20 5 EGBDRO [NH3+]CCc1cnn(-c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1 ZINC001168950695 1384068790 /nfs/dbraw/zinc/06/87/90/1384068790.db2.gz ZSDPBFMGLIKOEU-UHFFFAOYSA-N 1 0 340.408 3.433 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2cc(F)ccc2Br)C1 ZINC001168975825 1384076986 /nfs/dbraw/zinc/07/69/86/1384076986.db2.gz XJNVSTTYPVYMDE-SKDRFNHKSA-N 1 0 331.185 3.123 20 5 EGBDRO N[C@@H](c1ccccc1)[C@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccccc1 ZINC001168985031 1384079308 /nfs/dbraw/zinc/07/93/08/1384079308.db2.gz CEUGXWKMYRNYNX-MVJPYGJCSA-N 1 0 339.439 3.463 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CCc2ccc(OCC(F)(F)F)cc2)C1 ZINC001168988257 1384080176 /nfs/dbraw/zinc/08/01/76/1384080176.db2.gz PSYZMMKOQBIUSS-ZIAGYGMSSA-N 1 0 346.349 3.205 20 5 EGBDRO O=C1CCCCCN1c1cccc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001168991469 1384081112 /nfs/dbraw/zinc/08/11/12/1384081112.db2.gz HFPMHVRZQHVYEJ-DLBZAZTESA-N 1 0 345.443 3.129 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCC(O)(c3ccc(Cl)cc3)CC2)C1 ZINC001169007391 1384086609 /nfs/dbraw/zinc/08/66/09/1384086609.db2.gz NCPOLBPRYFNKKB-CZUORRHYSA-N 1 0 338.835 3.069 20 5 EGBDRO C[N@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C1CCN(Cc2ccccc2)CC1 ZINC001169010026 1384088503 /nfs/dbraw/zinc/08/85/03/1384088503.db2.gz AIISPEMYWOAUOT-IEBWSBKVSA-N 1 0 331.460 3.028 20 5 EGBDRO COc1ccc([C@@H]2CSCC[N@@H+]2[C@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001169034220 1384094854 /nfs/dbraw/zinc/09/48/54/1384094854.db2.gz GDFHKDZXXZENHH-KMFMINBZSA-N 1 0 336.457 3.231 20 5 EGBDRO C[N@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001169053603 1384100984 /nfs/dbraw/zinc/10/09/84/1384100984.db2.gz JEEXMQAUUPDQNI-OTWHNJEPSA-N 1 0 331.460 3.028 20 5 EGBDRO COC(=O)c1ccc([N+](=O)[O-])cc1N[C@H]1CC(C)(C)C[C@](C)(C[NH3+])C1 ZINC001169142545 1384113486 /nfs/dbraw/zinc/11/34/86/1384113486.db2.gz HEVVSEFSWKGGPD-KPZWWZAWSA-N 1 0 349.431 3.337 20 5 EGBDRO CC1(C)C[C@H](Nc2ncc3cccc([N+](=O)[O-])c3n2)C[C@@](C)(C[NH3+])C1 ZINC001169144842 1384113913 /nfs/dbraw/zinc/11/39/13/1384113913.db2.gz NYHPYPDYGSPXSL-SCLBCKFNSA-N 1 0 343.431 3.494 20 5 EGBDRO COC(=O)c1cc(N[C@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)cc([N+](=O)[O-])c1 ZINC001169153431 1384116206 /nfs/dbraw/zinc/11/62/06/1384116206.db2.gz SSSOTGYGKVRGDP-KBXCAEBGSA-N 1 0 349.431 3.337 20 5 EGBDRO [NH3+]Cc1cccc2c1cnn2-c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC001169191878 1384121163 /nfs/dbraw/zinc/12/11/63/1384121163.db2.gz IIDKGFZNQXIITF-UHFFFAOYSA-N 1 0 336.273 3.411 20 5 EGBDRO [NH3+]Cc1ccn(-c2c3ccc(Br)cc3ncc2[N+](=O)[O-])c1 ZINC001169725893 1384178723 /nfs/dbraw/zinc/17/87/23/1384178723.db2.gz LTSZUGWNVLZYES-UHFFFAOYSA-N 1 0 347.172 3.155 20 5 EGBDRO CCC1(C(=O)NCCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC001169855643 1384191746 /nfs/dbraw/zinc/19/17/46/1384191746.db2.gz JQYGXBPRRASKAB-UHFFFAOYSA-N 1 0 333.432 3.161 20 5 EGBDRO CCCN(CCC)CC[NH2+][C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170298003 1384284985 /nfs/dbraw/zinc/28/49/85/1384284985.db2.gz YAWUUCNYRMLHPO-OAHLLOKOSA-N 1 0 337.464 3.246 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+]Cc2cc(Cl)ccn2)c([N+](=O)[O-])c1 ZINC001170298546 1384285088 /nfs/dbraw/zinc/28/50/88/1384285088.db2.gz LXLMWDKAYBGBFQ-NSHDSACASA-N 1 0 335.791 3.373 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+]CCN(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC001170297594 1384285194 /nfs/dbraw/zinc/28/51/94/1384285194.db2.gz QJEQUTBDCVKSRI-OAHLLOKOSA-N 1 0 343.427 3.260 20 5 EGBDRO COc1cccc(CC[NH2+][C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])c1 ZINC001170298896 1384285481 /nfs/dbraw/zinc/28/54/81/1384285481.db2.gz ODJGTIPUDWCWAT-AWEZNQCLSA-N 1 0 344.411 3.375 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+][C@@H](C)c2ccc(F)cn2)c([N+](=O)[O-])c1 ZINC001170307466 1384287087 /nfs/dbraw/zinc/28/70/87/1384287087.db2.gz GEHWQCHXICEISD-RYUDHWBXSA-N 1 0 333.363 3.419 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+]Cc2ccc(OC)c(F)c2)c([N+](=O)[O-])c1 ZINC001170305840 1384287376 /nfs/dbraw/zinc/28/73/76/1384287376.db2.gz QNPQATRVIZCNDQ-LBPRGKRZSA-N 1 0 348.374 3.472 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+]C2(c3ccncc3)CC2)c([N+](=O)[O-])c1 ZINC001170310441 1384287534 /nfs/dbraw/zinc/28/75/34/1384287534.db2.gz WCOJZDRFDGOXAW-ZDUSSCGKSA-N 1 0 327.384 3.208 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2ccc(F)c(OC)c2)c([N+](=O)[O-])c1 ZINC001170313059 1384288751 /nfs/dbraw/zinc/28/87/51/1384288751.db2.gz JWSMIHPCDFMVRT-GFCCVEGCSA-N 1 0 348.374 3.472 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+]C2CCC(CCO)CC2)c([N+](=O)[O-])c1 ZINC001170317911 1384290244 /nfs/dbraw/zinc/29/02/44/1384290244.db2.gz MBLIDXBWPLKRSJ-VQCLRJIVSA-N 1 0 336.432 3.065 20 5 EGBDRO COc1ccc(C[C@@H](C)N2CC[NH+](C3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC001170342087 1384295139 /nfs/dbraw/zinc/29/51/39/1384295139.db2.gz LVMJCMLNDANPFQ-OAHLLOKOSA-N 1 0 347.459 3.095 20 5 EGBDRO COc1ccc(C[C@H](C)[N@@H+]2CCC[C@H]2c2cnccn2)c([N+](=O)[O-])c1 ZINC001170348038 1384297441 /nfs/dbraw/zinc/29/74/41/1384297441.db2.gz VELSFQVLOHNWKY-GUYCJALGSA-N 1 0 342.399 3.162 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH+]2CCC3(CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC001170350994 1384298653 /nfs/dbraw/zinc/29/86/53/1384298653.db2.gz DCKPDEFWHJRJPA-OAHLLOKOSA-N 1 0 348.443 3.427 20 5 EGBDRO Cc1cc(C)c(N2c3ccccc3OC[C@@H]2C[NH3+])c(C)c1[N+](=O)[O-] ZINC001171400606 1384513287 /nfs/dbraw/zinc/51/32/87/1384513287.db2.gz MWQMGSKSQGVLMF-AWEZNQCLSA-N 1 0 327.384 3.378 20 5 EGBDRO C[C@@](O)(C[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1ccccc1 ZINC001172895314 1384873983 /nfs/dbraw/zinc/87/39/83/1384873983.db2.gz CAYUNKJVSRDHKA-AZUAARDMSA-N 1 0 340.423 3.340 20 5 EGBDRO CN(C)[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172901174 1384874097 /nfs/dbraw/zinc/87/40/97/1384874097.db2.gz KJBCWFXPMNENGT-NEWSRXKRSA-N 1 0 331.460 3.305 20 5 EGBDRO COC(=O)CC1CC[NH+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172903640 1384874655 /nfs/dbraw/zinc/87/46/55/1384874655.db2.gz HZZDBRDWVFLHHN-QGZVFWFLSA-N 1 0 346.427 3.117 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CC[C@@H]3OCCC[C@@H]3C1)CC2 ZINC001172908338 1384875503 /nfs/dbraw/zinc/87/55/03/1384875503.db2.gz LYAJFGCFORERIM-LMMKCTJWSA-N 1 0 330.428 3.343 20 5 EGBDRO CC[N@H+](C1CCN(C)CC1)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172912433 1384876232 /nfs/dbraw/zinc/87/62/32/1384876232.db2.gz ZXKYXUSADMJRSA-QGZVFWFLSA-N 1 0 331.460 3.258 20 5 EGBDRO CCOC(=O)[C@@H]1CCCC[N@@H+]1[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172914265 1384876901 /nfs/dbraw/zinc/87/69/01/1384876901.db2.gz GBVPCYSBQIQZET-WMZOPIPTSA-N 1 0 346.427 3.260 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1CC[C@]3(C1)CCCOC3)CC2 ZINC001172920624 1384878937 /nfs/dbraw/zinc/87/89/37/1384878937.db2.gz LPOBTLHLPLMELM-HKUYNNGSSA-N 1 0 330.428 3.345 20 5 EGBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH+]3CC(C(F)F)C3)CC2)c(F)c1 ZINC001173016129 1384897650 /nfs/dbraw/zinc/89/76/50/1384897650.db2.gz IKUDNPSEOROFBP-UHFFFAOYSA-N 1 0 347.312 3.039 20 5 EGBDRO O=[N+]([O-])c1cc(F)c(N2CCC([N@@H+]3CCC4(CC4)C3)CC2)c(F)c1 ZINC001173010042 1384898108 /nfs/dbraw/zinc/89/81/08/1384898108.db2.gz LJVLJHJCXKXKOX-UHFFFAOYSA-N 1 0 337.370 3.328 20 5 EGBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH+]3CCC(F)CC3)CC2)c(F)c1 ZINC001173009617 1384898132 /nfs/dbraw/zinc/89/81/32/1384898132.db2.gz FURRNVLKTJWJSU-UHFFFAOYSA-N 1 0 343.349 3.276 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@@H](C)c2cccnc2)c1F ZINC001173175096 1384930762 /nfs/dbraw/zinc/93/07/62/1384930762.db2.gz KQTQBEXIFQVLAP-RYUDHWBXSA-N 1 0 333.363 3.419 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CCc2cccc(O)c2)c1F ZINC001173176211 1384931788 /nfs/dbraw/zinc/93/17/88/1384931788.db2.gz GNZWVYSNXYRTJX-LBPRGKRZSA-N 1 0 348.374 3.211 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CC[C@@]3(CC3(F)F)C2)c1F ZINC001173188522 1384933352 /nfs/dbraw/zinc/93/33/52/1384933352.db2.gz GIFOLCYOKFYYAY-ZUZCIYMTSA-N 1 0 344.333 3.405 20 5 EGBDRO CCO[C@@H]1CCC[N@@H+]([C@@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C1 ZINC001173190760 1384933680 /nfs/dbraw/zinc/93/36/80/1384933680.db2.gz WTOSIGKMHAZCPL-QWHCGFSZSA-N 1 0 340.395 3.174 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CCCOC(C)(C)C2)c1F ZINC001173189888 1384933744 /nfs/dbraw/zinc/93/37/44/1384933744.db2.gz OHYRSQXABUZIFB-LBPRGKRZSA-N 1 0 340.395 3.174 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1CCC2(CCC(=O)N2C)CC1 ZINC001173211459 1384937100 /nfs/dbraw/zinc/93/71/00/1384937100.db2.gz RXRXDSMUDSYQDM-ASFAAARLSA-N 1 0 345.443 3.049 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1CCC2(CCC(=O)N2C)CC1 ZINC001173211479 1384937105 /nfs/dbraw/zinc/93/71/05/1384937105.db2.gz RXRXDSMUDSYQDM-ICXUMSERSA-N 1 0 345.443 3.049 20 5 EGBDRO C[C@@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173214679 1384937188 /nfs/dbraw/zinc/93/71/88/1384937188.db2.gz DPJYTUMVMUUUCM-STQMWFEESA-N 1 0 337.420 3.029 20 5 EGBDRO COC(=O)C1CCC(C[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173215348 1384937584 /nfs/dbraw/zinc/93/75/84/1384937584.db2.gz VGFFONSDZUJOIL-JEYLPNPQSA-N 1 0 334.416 3.095 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(Oc2ccncc2)CC1 ZINC001173221530 1384938339 /nfs/dbraw/zinc/93/83/39/1384938339.db2.gz JLJJRVOOAANTIO-HNNXBMFYSA-N 1 0 341.411 3.464 20 5 EGBDRO COC(=O)[C@H]1CC[C@H](C[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173222213 1384938525 /nfs/dbraw/zinc/93/85/25/1384938525.db2.gz VGFFONSDZUJOIL-FVQBIDKESA-N 1 0 334.416 3.095 20 5 EGBDRO CC(C)Oc1ccnc(C[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001173223042 1384939082 /nfs/dbraw/zinc/93/90/82/1384939082.db2.gz GQIGSGWKPXFZLG-AWEZNQCLSA-N 1 0 329.400 3.498 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cc(OC2CCC2)ncn1 ZINC001173226568 1384939651 /nfs/dbraw/zinc/93/96/51/1384939651.db2.gz XTLXXJMZMWHWIQ-ZDUSSCGKSA-N 1 0 342.399 3.037 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(c2ncccn2)CC1 ZINC001173226783 1384939989 /nfs/dbraw/zinc/93/99/89/1384939989.db2.gz LHTREROZGOOVQA-CQSZACIVSA-N 1 0 326.400 3.195 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCN(c2cccnc2)CC1 ZINC001173233396 1384941250 /nfs/dbraw/zinc/94/12/50/1384941250.db2.gz WFWVLSLRDZUCOH-MRXNPFEDSA-N 1 0 340.427 3.133 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC001173233328 1384941268 /nfs/dbraw/zinc/94/12/68/1384941268.db2.gz VJCVYHKFUICDTQ-UZLBHIALSA-N 1 0 340.423 3.469 20 5 EGBDRO CCc1nnc(C2CC[NH+]([C@@H](C)Cc3ccc([N+](=O)[O-])cc3)CC2)o1 ZINC001173234211 1384941963 /nfs/dbraw/zinc/94/19/63/1384941963.db2.gz PVXJDJUFTDUTPO-ZDUSSCGKSA-N 1 0 344.415 3.351 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N(C)CC(=O)OCc1ccccc1 ZINC001173236015 1384942154 /nfs/dbraw/zinc/94/21/54/1384942154.db2.gz DLDIMQHXTVXJFE-OAHLLOKOSA-N 1 0 342.395 3.201 20 5 EGBDRO Cc1cccc(O[C@H]2CC[N@@H+]([C@@H](C)Cc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC001173237749 1384942584 /nfs/dbraw/zinc/94/25/84/1384942584.db2.gz LVKHHLPBMRMOIE-YJBOKZPZSA-N 1 0 341.411 3.383 20 5 EGBDRO Cc1ccc(C(=O)NCCC[NH2+]Cc2ccccc2[N+](=O)[O-])c(C)c1 ZINC001175106134 1385195801 /nfs/dbraw/zinc/19/58/01/1385195801.db2.gz PWRHBAILPPUYMC-UHFFFAOYSA-N 1 0 341.411 3.121 20 5 EGBDRO C[NH+](C)CCn1cc(Nc2cccc3nc4ccccc4nc32)cn1 ZINC001176449539 1385591200 /nfs/dbraw/zinc/59/12/00/1385591200.db2.gz LJNMVBPSAVXVLZ-UHFFFAOYSA-N 1 0 332.411 3.285 20 5 EGBDRO O=C(NCCCCCC[NH2+]Cc1csc([N+](=O)[O-])c1)C1CCC1 ZINC001177730875 1386030107 /nfs/dbraw/zinc/03/01/07/1386030107.db2.gz YWHWGTUYWDJLNC-UHFFFAOYSA-N 1 0 339.461 3.223 20 5 EGBDRO COc1cc(C[N@H+](C)[C@@H]2CC[C@H](SC)C2)c([N+](=O)[O-])cc1OC ZINC001319718500 1386267378 /nfs/dbraw/zinc/26/73/78/1386267378.db2.gz PZGBNFVEOWKGDJ-OLZOCXBDSA-N 1 0 340.445 3.328 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(CN2C[C@H]3C[NH2+]C[C@H]3C2)o1 ZINC001319841506 1386329402 /nfs/dbraw/zinc/32/94/02/1386329402.db2.gz JACQXDRSFNUDMZ-TXEJJXNPSA-N 1 0 347.802 3.159 20 5 EGBDRO Cc1ccc([C@@H](C)NC(=O)c2ccc3c[nH+]cn3c2C)cc1[N+](=O)[O-] ZINC001320264279 1386564923 /nfs/dbraw/zinc/56/49/23/1386564923.db2.gz WHOGQUBCUQXQFW-GFCCVEGCSA-N 1 0 338.367 3.350 20 5 EGBDRO CCOc1ccc2c(c1)C[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC001320660913 1386684089 /nfs/dbraw/zinc/68/40/89/1386684089.db2.gz RMUZPBZSNLRJHT-LJQANCHMSA-N 1 0 342.395 3.085 20 5 EGBDRO Cc1c([C@H](C)[NH2+]CCC(=O)N2CCC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC001320668752 1386685832 /nfs/dbraw/zinc/68/58/32/1386685832.db2.gz CUIRJZOXCPGDOM-HIFRSBDPSA-N 1 0 333.432 3.202 20 5 EGBDRO [NH2+]=c1ccc2nc3c(cc(NC(=O)[C@@H]4CCO4)c4ccccc43)oc-2c1 ZINC001181586969 1387020789 /nfs/dbraw/zinc/02/07/89/1387020789.db2.gz KABUHCRCXFLBFE-INIZCTEOSA-N 1 0 345.358 3.293 20 5 EGBDRO COc1ccc(OCC[N@@H+]2CC[C@H]3CCCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC001322157723 1387081076 /nfs/dbraw/zinc/08/10/76/1387081076.db2.gz NTWIHBPDAZSFIV-CABCVRRESA-N 1 0 334.416 3.494 20 5 EGBDRO Cc1cncc([N+](=O)[O-])c1NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC001322495707 1387196016 /nfs/dbraw/zinc/19/60/16/1387196016.db2.gz LZZDYOKKRDFLLX-LJQANCHMSA-N 1 0 340.427 3.044 20 5 EGBDRO CO[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Br)CC1 ZINC001332847623 1390200057 /nfs/dbraw/zinc/20/00/57/1390200057.db2.gz GGCJMGQHRUKEJF-CYBMUJFWSA-N 1 0 343.221 3.358 20 5 EGBDRO CC(C)(O)CN(Cc1cc([N+](=O)[O-])ccc1Br)C1CC1 ZINC001332937683 1390220205 /nfs/dbraw/zinc/22/02/05/1390220205.db2.gz LAMNIMSIBOIBGT-UHFFFAOYSA-N 1 0 343.221 3.093 20 5 EGBDRO C[N@@H+]1CCC[C@@H](CCNc2ncnc3c(Cl)cc([N+](=O)[O-])cc23)C1 ZINC001333726831 1390385844 /nfs/dbraw/zinc/38/58/44/1390385844.db2.gz SZYQGSCRVGIYRK-NSHDSACASA-N 1 0 349.822 3.335 20 5 EGBDRO CCc1ccc(-c2nnc(CC[NH+]3CCC(C)CC3)o2)cc1[N+](=O)[O-] ZINC001341570101 1390504108 /nfs/dbraw/zinc/50/41/08/1390504108.db2.gz FXCPTHQLBIGLPT-UHFFFAOYSA-N 1 0 344.415 3.482 20 5 EGBDRO C[C@@H](C[NH+]1CCC(C)CC1)c1nnc(-c2cccc([N+](=O)[O-])c2)o1 ZINC001341582872 1390506348 /nfs/dbraw/zinc/50/63/48/1390506348.db2.gz WJXBYAOALBRJBB-ZDUSSCGKSA-N 1 0 330.388 3.480 20 5 EGBDRO COC[C@H]([NH2+]Cc1c(Br)cccc1[N+](=O)[O-])C(C)C ZINC001334766710 1390584560 /nfs/dbraw/zinc/58/45/60/1390584560.db2.gz JVVYBXSTHPEZLL-LBPRGKRZSA-N 1 0 331.210 3.118 20 5 EGBDRO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Br)[C@H]1CCCOC1 ZINC001334772341 1390585406 /nfs/dbraw/zinc/58/54/06/1390585406.db2.gz NEGWDMRWZQLVGQ-MNOVXSKESA-N 1 0 343.221 3.262 20 5 EGBDRO CS[C@@H]1CCCC[C@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001335467737 1390687975 /nfs/dbraw/zinc/68/79/75/1390687975.db2.gz RWFCZVCVDWAZDB-UKRRQHHQSA-N 1 0 337.445 3.187 20 5 EGBDRO CC[NH+](CC)C1CCN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC001343902322 1390743255 /nfs/dbraw/zinc/74/32/55/1390743255.db2.gz OWXGYHMSDREQDL-UHFFFAOYSA-N 1 0 347.459 3.205 20 5 EGBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cc(C)cc([N+](=O)[O-])c2)C[C@@H]1C ZINC001344876019 1390821158 /nfs/dbraw/zinc/82/11/58/1390821158.db2.gz PVANDHIDICQMRW-DZGCQCFKSA-N 1 0 334.420 3.240 20 5 EGBDRO CN(C(=O)CCC1CC1)C1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001752297368 1440167104 /nfs/dbraw/zinc/16/71/04/1440167104.db2.gz FVIPUFLYYYMFHP-UHFFFAOYSA-N 1 0 345.443 3.208 20 5 EGBDRO CCCN(C(=O)C1CC1)C1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001752432052 1440178622 /nfs/dbraw/zinc/17/86/22/1440178622.db2.gz RSRXCJQNTPLDCZ-UHFFFAOYSA-N 1 0 345.443 3.208 20 5 EGBDRO C[NH+](C)[C@H]1CCCN(c2cc(Cl)nc3ccc([N+](=O)[O-])cc32)C1 ZINC001165034960 721896280 /nfs/dbraw/zinc/89/62/80/721896280.db2.gz JHFXWVMNHJPGHC-LBPRGKRZSA-N 1 0 334.807 3.327 20 5 EGBDRO CN(CC1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000301855878 721938841 /nfs/dbraw/zinc/93/88/41/721938841.db2.gz IFPSOZCWERJVDL-UHFFFAOYSA-N 1 0 340.427 3.435 20 5 EGBDRO CCOc1nc(N2CCCC[C@@H]2CC[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC001165049820 721973537 /nfs/dbraw/zinc/97/35/37/721973537.db2.gz SALNPSSKSNBZNW-OAHLLOKOSA-N 1 0 348.447 3.233 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@H](CO)Cc1ccc(F)cc1 ZINC000893998789 1126125896 /nfs/dbraw/zinc/12/58/96/1126125896.db2.gz AHKJUDXUPPLSKM-HNNXBMFYSA-N 1 0 338.766 3.081 20 5 EGBDRO CC[C@]1(CO)CCC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000189637494 529431409 /nfs/dbraw/zinc/43/14/09/529431409.db2.gz WQXLAZRMTMXSJP-GOSISDBHSA-N 1 0 345.399 3.029 20 5 EGBDRO C[N@H+](CCc1ccncc1)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000183759216 529937515 /nfs/dbraw/zinc/93/75/15/529937515.db2.gz USYOBHLROYGSLX-UHFFFAOYSA-N 1 0 337.326 3.266 20 5 EGBDRO Cc1csc([C@@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C2CC2)n1 ZINC000183565329 235143570 /nfs/dbraw/zinc/14/35/70/235143570.db2.gz HAZKULWCMVGJBT-CABCVRRESA-N 1 0 333.413 3.134 20 5 EGBDRO C[C@H](C[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1)c1nccs1 ZINC000183977996 235276778 /nfs/dbraw/zinc/27/67/78/235276778.db2.gz NZYVAVCTAVAAFA-SNVBAGLBSA-N 1 0 332.385 3.428 20 5 EGBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000357808773 283182830 /nfs/dbraw/zinc/18/28/30/283182830.db2.gz BOTHLCWXGJGMFB-KBPBESRZSA-N 1 0 336.436 3.075 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000072693594 216294799 /nfs/dbraw/zinc/29/47/99/216294799.db2.gz PCFQWQQCKQXKJN-YOEHRIQHSA-N 1 0 331.416 3.496 20 5 EGBDRO O=[N+]([O-])c1cc(Br)ccc1NCC[NH+]1CCCCC1 ZINC000049575307 201112400 /nfs/dbraw/zinc/11/24/00/201112400.db2.gz VKXZPILRJKIAJQ-UHFFFAOYSA-N 1 0 328.210 3.255 20 5 EGBDRO C[C@H]1C[C@H](c2cccnc2)[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000359870418 201114826 /nfs/dbraw/zinc/11/48/26/201114826.db2.gz IVQVHENQYUGEDK-WMLDXEAASA-N 1 0 327.384 3.452 20 5 EGBDRO C[C@H]([NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1)C1CCOCC1 ZINC000134487681 201128199 /nfs/dbraw/zinc/12/81/99/201128199.db2.gz FQKPCIDQWGCXIR-JTQLQIEISA-N 1 0 343.221 3.262 20 5 EGBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1ncc([N+](=O)[O-])s1 ZINC000281964712 201326862 /nfs/dbraw/zinc/32/68/62/201326862.db2.gz RBHOGMGFVBDWOH-OCCSQVGLSA-N 1 0 332.429 3.374 20 5 EGBDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000152538031 201393228 /nfs/dbraw/zinc/39/32/28/201393228.db2.gz BOBMZGPPAGKYKL-GFCCVEGCSA-N 1 0 341.839 3.489 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(NC[C@H](c2ccccc2OC)[NH+](C)C)c1 ZINC000338637586 241617115 /nfs/dbraw/zinc/61/71/15/241617115.db2.gz NOIZZUZRXKTZQT-QGZVFWFLSA-N 1 0 345.399 3.327 20 5 EGBDRO CO[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000072925181 203251673 /nfs/dbraw/zinc/25/16/73/203251673.db2.gz UFBRNRQXOPHUSC-MRXNPFEDSA-N 1 0 346.431 3.146 20 5 EGBDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000262613280 245065312 /nfs/dbraw/zinc/06/53/12/245065312.db2.gz GBUZRTXHAWHJJC-TZMCWYRMSA-N 1 0 333.432 3.092 20 5 EGBDRO Cc1nc(C)n(C[C@@H]2CCC[N@@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC000105885035 204177340 /nfs/dbraw/zinc/17/73/40/204177340.db2.gz AXIVKAFRKFZSPP-XJKSGUPXSA-N 1 0 343.431 3.276 20 5 EGBDRO O=C(CCC[NH2+]Cc1csc([N+](=O)[O-])c1)N1CCc2ccccc21 ZINC000111409368 204355526 /nfs/dbraw/zinc/35/55/26/204355526.db2.gz SZVMJLVZUDZMKO-UHFFFAOYSA-N 1 0 345.424 3.115 20 5 EGBDRO CSCC[C@@H](C)[N@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000126384250 205053037 /nfs/dbraw/zinc/05/30/37/205053037.db2.gz FDRGRJCZHVMTTO-LLVKDONJSA-N 1 0 336.417 3.218 20 5 EGBDRO O=[N+]([O-])c1ccccc1NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000264324481 246352020 /nfs/dbraw/zinc/35/20/20/246352020.db2.gz WABOTSQYIDCQKW-UHFFFAOYSA-N 1 0 341.411 3.164 20 5 EGBDRO Cc1ccc(C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C(C)C)s1 ZINC000159775702 206262345 /nfs/dbraw/zinc/26/23/45/206262345.db2.gz IDCWMDCVNZKSRJ-UHFFFAOYSA-N 1 0 335.429 3.037 20 5 EGBDRO C[C@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CCOC1 ZINC000266158501 248138219 /nfs/dbraw/zinc/13/82/19/248138219.db2.gz MRDZAWHFSYGSTK-WCQYABFASA-N 1 0 333.413 3.233 20 5 EGBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCCOC(C)(C)C1 ZINC000377706426 169065179 /nfs/dbraw/zinc/06/51/79/169065179.db2.gz PVKJWPAVDXQYOM-LBPRGKRZSA-N 1 0 346.387 3.207 20 5 EGBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC2(CC2)CC1 ZINC000378328648 169101321 /nfs/dbraw/zinc/10/13/21/169101321.db2.gz WPFDCPBYNLARSI-LLVKDONJSA-N 1 0 337.807 3.451 20 5 EGBDRO C[C@H]1C[C@@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C[N@@H+]1C1CC1 ZINC000177211564 207307205 /nfs/dbraw/zinc/30/72/05/207307205.db2.gz GAHVHBMKDZSMIQ-CMPLNLGQSA-N 1 0 345.424 3.165 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)c1ccc(C)cc1 ZINC000182324352 533138340 /nfs/dbraw/zinc/13/83/40/533138340.db2.gz JIWRFMONXKDFIW-ZDUSSCGKSA-N 1 0 343.383 3.201 20 5 EGBDRO Cc1ccc([C@H](O)C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)o1 ZINC000268973562 255507087 /nfs/dbraw/zinc/50/70/87/255507087.db2.gz IPBZVFJHMLZZTF-DOTOQJQBSA-N 1 0 330.384 3.141 20 5 EGBDRO C[C@@H]1CC[C@@H]([NH2+]CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)[C@H](C)C1 ZINC000119208577 221266733 /nfs/dbraw/zinc/26/67/33/221266733.db2.gz DENGOKHZHAIWLH-UMVBOHGHSA-N 1 0 347.415 3.307 20 5 EGBDRO CC(C)(CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)[NH+]1CCCCC1 ZINC000338056367 141084217 /nfs/dbraw/zinc/08/42/17/141084217.db2.gz VCDPKOPKDKAGIH-UHFFFAOYSA-N 1 0 345.399 3.335 20 5 EGBDRO COc1ccc([C@H](C)[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000341214847 141139345 /nfs/dbraw/zinc/13/93/45/141139345.db2.gz UGRGCSXDYFHKNB-ZDUSSCGKSA-N 1 0 343.383 3.283 20 5 EGBDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000342965567 141152843 /nfs/dbraw/zinc/15/28/43/141152843.db2.gz KWVLAWLZIYMXGQ-QGZVFWFLSA-N 1 0 348.447 3.049 20 5 EGBDRO C[C@@H]1CCCC[C@H]1C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000346212215 141181676 /nfs/dbraw/zinc/18/16/76/141181676.db2.gz WSVDBHHJKSFTQG-WBVHZDCISA-N 1 0 345.443 3.179 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]C2CCN(CC(F)F)CC2)cc1[N+](=O)[O-] ZINC000341404383 155273192 /nfs/dbraw/zinc/27/31/92/155273192.db2.gz WBJRKNVFBSCDCT-LBPRGKRZSA-N 1 0 327.375 3.283 20 5 EGBDRO Cc1c(C(=O)NC2CC[NH+](C3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000177411937 152964238 /nfs/dbraw/zinc/96/42/38/152964238.db2.gz SHMDWGKCGWBREL-UHFFFAOYSA-N 1 0 331.416 3.040 20 5 EGBDRO Cc1cc(NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000192953740 153270858 /nfs/dbraw/zinc/27/08/58/153270858.db2.gz XLQQRLCJRMRMFX-INIZCTEOSA-N 1 0 326.400 3.232 20 5 EGBDRO O=[N+]([O-])c1cc(Br)ccc1C[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000232462356 153446924 /nfs/dbraw/zinc/44/69/24/153446924.db2.gz QKKPQFYINDZCKX-OCCSQVGLSA-N 1 0 341.205 3.014 20 5 EGBDRO C[C@@H](c1ccccc1)[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000302640374 154026932 /nfs/dbraw/zinc/02/69/32/154026932.db2.gz ZXGYZTPCCIBOTB-YOEHRIQHSA-N 1 0 330.384 3.028 20 5 EGBDRO CCc1cc(OC)ccc1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000337511138 154390547 /nfs/dbraw/zinc/39/05/47/154390547.db2.gz RLYAKPXESHCEQH-UHFFFAOYSA-N 1 0 340.383 3.332 20 5 EGBDRO O=[N+]([O-])c1ccc(OC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000340050111 155083604 /nfs/dbraw/zinc/08/36/04/155083604.db2.gz REIYNWAXDCTXOE-IBGZPJMESA-N 1 0 342.395 3.265 20 5 EGBDRO Cc1ccc2cc(CN(CC[NH3+])c3ccccc3[N+](=O)[O-])ccc2n1 ZINC000348902697 156280692 /nfs/dbraw/zinc/28/06/92/156280692.db2.gz DETSPRJSHLRWBT-UHFFFAOYSA-N 1 0 336.395 3.417 20 5 EGBDRO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CCC[C@H](c2ncc[nH]2)C1 ZINC000365229485 157094782 /nfs/dbraw/zinc/09/47/82/157094782.db2.gz UHQWQPDNUNDSLR-JTQLQIEISA-N 1 0 349.778 3.383 20 5 EGBDRO O=[N+]([O-])c1ccn(C2CCN(Cc3ccc(Cl)c(F)c3)CC2)n1 ZINC000365509129 157150595 /nfs/dbraw/zinc/15/05/95/157150595.db2.gz IJJQCZCQFRURLJ-UHFFFAOYSA-N 1 0 338.770 3.421 20 5 EGBDRO COC[C@H]1CCCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000368667108 157257387 /nfs/dbraw/zinc/25/73/87/157257387.db2.gz PFJJWAMJPSSGKA-LBPRGKRZSA-N 1 0 344.358 3.445 20 5 EGBDRO CCOc1cc(C[NH+]2CCC([C@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000372798216 157386476 /nfs/dbraw/zinc/38/64/76/157386476.db2.gz FKVFFVUQHPLKFB-INIZCTEOSA-N 1 0 334.416 3.242 20 5 EGBDRO C[NH+](C)[C@@H](CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccccc1 ZINC000110166606 162120833 /nfs/dbraw/zinc/12/08/33/162120833.db2.gz ZIHMAWUJPBZNGE-HNNXBMFYSA-N 1 0 347.802 3.281 20 5 EGBDRO CC[C@H](C)[C@](C)(O)C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000112380186 162174453 /nfs/dbraw/zinc/17/44/53/162174453.db2.gz UCENCFKNLNNIOW-ZUZCIYMTSA-N 1 0 332.347 3.083 20 5 EGBDRO COc1ccc(-c2ccc(C[NH2+][C@@H]3CCCC[C@H]3O)o2)c([N+](=O)[O-])c1 ZINC000114215880 162224380 /nfs/dbraw/zinc/22/43/80/162224380.db2.gz RYWZTGWWBFOXPS-NVXWUHKLSA-N 1 0 346.383 3.257 20 5 EGBDRO Cc1nccn1-c1ccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000126458875 162304762 /nfs/dbraw/zinc/30/47/62/162304762.db2.gz TVJOHOOEZLGJLQ-CYBMUJFWSA-N 1 0 337.383 3.335 20 5 EGBDRO CC[C@@H]([NH2+]CCC(=O)N1CCCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000129124360 162347322 /nfs/dbraw/zinc/34/73/22/162347322.db2.gz FZCOOWVQFJPYPN-QGZVFWFLSA-N 1 0 333.432 3.428 20 5 EGBDRO CC[C@@H]([NH2+]Cc1ccc(NC(N)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000130944961 162386372 /nfs/dbraw/zinc/38/63/72/162386372.db2.gz PMVQNXFKVBKDLU-MRXNPFEDSA-N 1 0 328.372 3.326 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@H]1CCO[C@@H](C2CC2)C1)C1CC1 ZINC000248907144 163045766 /nfs/dbraw/zinc/04/57/66/163045766.db2.gz UYGDMYREHPIRJK-JENIJYKNSA-N 1 0 330.428 3.463 20 5 EGBDRO CCC[N@@H+]1CCC[C@H]1CNc1ncc([N+](=O)[O-])cc1Br ZINC000343920381 164066227 /nfs/dbraw/zinc/06/62/27/164066227.db2.gz SNMNADFVKPQMSP-JTQLQIEISA-N 1 0 343.225 3.039 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H](C2CC2)C1 ZINC000344071304 164096584 /nfs/dbraw/zinc/09/65/84/164096584.db2.gz RWEDDIPBCJOOAZ-HNNXBMFYSA-N 1 0 331.416 3.354 20 5 EGBDRO CCc1ccc([C@H]2COCCN2CCOc2ccc([N+](=O)[O-])cc2)o1 ZINC000346523570 164391190 /nfs/dbraw/zinc/39/11/90/164391190.db2.gz BGEPBWQTNCNSRN-QGZVFWFLSA-N 1 0 346.383 3.203 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1ccc(CN(C2CC2)[C@H]2CC[NH2+]C2)o1 ZINC000347110689 164446276 /nfs/dbraw/zinc/44/62/76/164446276.db2.gz NSDCELBDMHPUBV-AWEZNQCLSA-N 1 0 327.384 3.181 20 5 EGBDRO O=C(NCCC[NH+]1CCCCCC1)Nc1ccc([N+](=O)[O-])cc1F ZINC000351655218 165117830 /nfs/dbraw/zinc/11/78/30/165117830.db2.gz JJYZEAIUUAWWGT-UHFFFAOYSA-N 1 0 338.383 3.122 20 5 EGBDRO CC(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000355411198 166188889 /nfs/dbraw/zinc/18/88/89/166188889.db2.gz IXIVFBDOMDRMEV-INIZCTEOSA-N 1 0 333.432 3.066 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@H](CO)CC3CCC3)o2)c1 ZINC000355561100 166244910 /nfs/dbraw/zinc/24/49/10/166244910.db2.gz HSWXVZBHKQDBPH-HNNXBMFYSA-N 1 0 330.384 3.496 20 5 EGBDRO CC[C@H](C)[NH2+][C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1C)c1ccco1 ZINC000359555657 167191433 /nfs/dbraw/zinc/19/14/33/167191433.db2.gz KYGWIXAGXKKYEI-BBRMVZONSA-N 1 0 345.399 3.355 20 5 EGBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000359777641 167230008 /nfs/dbraw/zinc/23/00/08/167230008.db2.gz JAPPMMZXWSEHKM-LBPRGKRZSA-N 1 0 333.388 3.191 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(NC[C@H](C)[N@@H+]2CCc3ccccc3C2)c1 ZINC000360516352 167347062 /nfs/dbraw/zinc/34/70/62/167347062.db2.gz FCDNDXVUBZPHRC-AWEZNQCLSA-N 1 0 341.411 3.462 20 5 EGBDRO CCCC[N@H+](C)CC1CCN(c2c([N+](=O)[O-])nc(C)n2CC)CC1 ZINC000360950165 167457846 /nfs/dbraw/zinc/45/78/46/167457846.db2.gz YVSZUPWBWPQUPF-UHFFFAOYSA-N 1 0 337.468 3.068 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)C1CC1 ZINC000366260262 168099742 /nfs/dbraw/zinc/09/97/42/168099742.db2.gz QTZNYVLWZIFWEZ-BZSNNMDCSA-N 1 0 329.444 3.132 20 5 EGBDRO C[C@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000173411150 264979058 /nfs/dbraw/zinc/97/90/58/264979058.db2.gz HWKAPNHOSRGQPF-JSGCOSHPSA-N 1 0 335.404 3.255 20 5 EGBDRO C[C@H](CCNC(=O)c1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1ccccc1 ZINC000173598030 264991210 /nfs/dbraw/zinc/99/12/10/264991210.db2.gz VVNGMEGSZRVTNW-OAHLLOKOSA-N 1 0 341.411 3.235 20 5 EGBDRO COc1ccc(OCC[N@H+](C)CCc2cccs2)c([N+](=O)[O-])c1 ZINC000174158503 265027852 /nfs/dbraw/zinc/02/78/52/265027852.db2.gz MIHVMGYRZZFANE-UHFFFAOYSA-N 1 0 336.413 3.218 20 5 EGBDRO C[C@@H]([NH2+]CCc1ccc2c(c1)OCCO2)c1cccc([N+](=O)[O-])c1 ZINC000176209163 265163012 /nfs/dbraw/zinc/16/30/12/265163012.db2.gz CVGKAUXUHGETLU-CYBMUJFWSA-N 1 0 328.368 3.259 20 5 EGBDRO Cc1c(NC(=O)CC[N@H+]2C[C@@H]3CCCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000177523496 265260345 /nfs/dbraw/zinc/26/03/45/265260345.db2.gz UYKZWUAGPUQMLU-GASCZTMLSA-N 1 0 331.416 3.354 20 5 EGBDRO COc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@@H]3CCCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000177534759 265260907 /nfs/dbraw/zinc/26/09/07/265260907.db2.gz XRSGRPATFAYQGX-MELADBBJSA-N 1 0 347.415 3.052 20 5 EGBDRO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@@H](C)[C@H]2CC)c([N+](=O)[O-])c1 ZINC000185665007 265499920 /nfs/dbraw/zinc/49/99/20/265499920.db2.gz LABIDTPYSGMKGV-IUODEOHRSA-N 1 0 335.404 3.052 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCCOC1CCOCC1)CCC2 ZINC000193007075 266002809 /nfs/dbraw/zinc/00/28/09/266002809.db2.gz WTRROUBITICSRV-GOSISDBHSA-N 1 0 334.416 3.148 20 5 EGBDRO CCOC(=O)N1CCC([NH2+][C@H](CC)c2cccc([N+](=O)[O-])c2)CC1 ZINC000236884911 266219139 /nfs/dbraw/zinc/21/91/39/266219139.db2.gz LUIVIWPFXAUKPD-MRXNPFEDSA-N 1 0 335.404 3.256 20 5 EGBDRO CCC[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000269649264 266334339 /nfs/dbraw/zinc/33/43/39/266334339.db2.gz MABMZXQIFWIWFP-WNRNVDISSA-N 1 0 348.443 3.154 20 5 EGBDRO O=[N+]([O-])c1ccccc1NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000273291917 267014337 /nfs/dbraw/zinc/01/43/37/267014337.db2.gz ZKTIEUGSQLCPNK-KRWDZBQOSA-N 1 0 341.411 3.164 20 5 EGBDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000273499430 267049074 /nfs/dbraw/zinc/04/90/74/267049074.db2.gz UVPQJPYJZBSSSZ-LBPRGKRZSA-N 1 0 338.383 3.120 20 5 EGBDRO CCC(C)(C)[NH2+][C@@H](C)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000274841323 267294946 /nfs/dbraw/zinc/29/49/46/267294946.db2.gz UIWWIQAFOVACIM-ZDUSSCGKSA-N 1 0 333.432 3.253 20 5 EGBDRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000345680596 287681027 /nfs/dbraw/zinc/68/10/27/287681027.db2.gz FQCYWAHXMOEACX-PBFPGSCMSA-N 1 0 349.456 3.042 20 5 EGBDRO CO[C@H](C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccccc1 ZINC000338545233 274077103 /nfs/dbraw/zinc/07/71/03/274077103.db2.gz WCNCBWWMPWCCHI-LJQANCHMSA-N 1 0 341.411 3.105 20 5 EGBDRO C[C@@H]1CC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1(C)C ZINC000354043142 274303540 /nfs/dbraw/zinc/30/35/40/274303540.db2.gz VTTKODSCIXTBRF-CZUORRHYSA-N 1 0 331.416 3.068 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCN(c3ccccn3)C1)CCC2 ZINC000249044190 275038039 /nfs/dbraw/zinc/03/80/39/275038039.db2.gz VOUGHZZBIGJZMI-QAPCUYQASA-N 1 0 338.411 3.236 20 5 EGBDRO CC[NH+](CC)[C@@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])CC(C)C ZINC000042546916 275126680 /nfs/dbraw/zinc/12/66/80/275126680.db2.gz GWPCAGSHGZAHAF-MRXNPFEDSA-N 1 0 335.448 3.010 20 5 EGBDRO COc1ccc(C[NH2+]CCCN(C)c2ccccc2)cc1[N+](=O)[O-] ZINC000119398985 275189961 /nfs/dbraw/zinc/18/99/61/275189961.db2.gz XKNATPHJDOMJKL-UHFFFAOYSA-N 1 0 329.400 3.220 20 5 EGBDRO COc1cc(N2CCC[N@@H+](C3CCCC3)CC2)c(F)cc1[N+](=O)[O-] ZINC000271069779 275237680 /nfs/dbraw/zinc/23/76/80/275237680.db2.gz DUWROFIXWRPCGC-UHFFFAOYSA-N 1 0 337.395 3.197 20 5 EGBDRO CCOc1ccc([C@H](C)[NH2+]CC2([C@H](O)C(C)C)CC2)cc1[N+](=O)[O-] ZINC000271919226 275241556 /nfs/dbraw/zinc/24/15/56/275241556.db2.gz ZPMDWKONPVVXTQ-SUMWQHHRSA-N 1 0 336.432 3.441 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)cnc1NC1CC[NH+](Cc2cccnc2)CC1 ZINC000278790894 275275043 /nfs/dbraw/zinc/27/50/43/275275043.db2.gz XDLXJSLTFLXNNU-UHFFFAOYSA-N 1 0 347.806 3.115 20 5 EGBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCc3nccn3C2)cc1[N+](=O)[O-] ZINC000278934838 275288984 /nfs/dbraw/zinc/28/89/84/275288984.db2.gz JMUMTAHKOBLJQJ-KBPBESRZSA-N 1 0 344.415 3.103 20 5 EGBDRO CC[C@H]([NH2+]Cc1ccc(NC(C)=O)nc1)c1cccc([N+](=O)[O-])c1 ZINC000279215878 275313466 /nfs/dbraw/zinc/31/34/66/275313466.db2.gz YROBDVLBPIBKJS-INIZCTEOSA-N 1 0 328.372 3.189 20 5 EGBDRO COc1ccc(C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCCC3)cc1[N+](=O)[O-] ZINC000279660071 275347524 /nfs/dbraw/zinc/34/75/24/275347524.db2.gz DCZGCSMRZLVQPY-XOKHGSTOSA-N 1 0 332.400 3.041 20 5 EGBDRO Cc1cc(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])n(C)n1 ZINC000284119936 275775638 /nfs/dbraw/zinc/77/56/38/275775638.db2.gz CMXIPDASGWPLTB-RHSMWYFYSA-N 1 0 328.416 3.138 20 5 EGBDRO COc1cc(C[NH+]2CCC3(CCOCC3)CC2)c([N+](=O)[O-])cc1F ZINC000284918152 275835438 /nfs/dbraw/zinc/83/54/38/275835438.db2.gz XPYPAZRMQKQAIH-UHFFFAOYSA-N 1 0 338.379 3.135 20 5 EGBDRO C[C@H](C[C@@H](O)c1ccc(F)cc1)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285306351 275863448 /nfs/dbraw/zinc/86/34/48/275863448.db2.gz SHAJVFISQOQCAW-FTLABTOESA-N 1 0 347.390 3.479 20 5 EGBDRO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285447783 275876982 /nfs/dbraw/zinc/87/69/82/275876982.db2.gz ZIRLNMNYCQYOSY-BHADISHBSA-N 1 0 331.416 3.175 20 5 EGBDRO COCCCOc1ccc(C[NH2+]Cc2ccccc2[N+](=O)[O-])cc1 ZINC000285480111 275880468 /nfs/dbraw/zinc/88/04/68/275880468.db2.gz HZTVYISGHXHKPD-UHFFFAOYSA-N 1 0 330.384 3.300 20 5 EGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC(=O)N[C@H]1C(C)(C)C ZINC000285749586 275908246 /nfs/dbraw/zinc/90/82/46/275908246.db2.gz RVYWUUMMKOFZKJ-DDUZABMNSA-N 1 0 347.459 3.199 20 5 EGBDRO CCOc1cc(CN2CC[C@H]([NH+]3CCCC3)[C@H]2C)ccc1[N+](=O)[O-] ZINC000286785263 276043199 /nfs/dbraw/zinc/04/31/99/276043199.db2.gz HRYOCDDYAHVYRN-ZBFHGGJFSA-N 1 0 333.432 3.052 20 5 EGBDRO CSc1ccc(C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000287202686 276095964 /nfs/dbraw/zinc/09/59/64/276095964.db2.gz PKUQBOSVFYYCNM-GXTWGEPZSA-N 1 0 349.456 3.016 20 5 EGBDRO CC[NH+](CC)CCO[C@H]1CCN(c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000349250535 276100684 /nfs/dbraw/zinc/10/06/84/276100684.db2.gz GYSJGCMQJNVKGN-AWEZNQCLSA-N 1 0 341.839 3.185 20 5 EGBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000287359155 276111940 /nfs/dbraw/zinc/11/19/40/276111940.db2.gz WRGWLNNEKRNFQV-IUODEOHRSA-N 1 0 343.383 3.040 20 5 EGBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@H](c1ccco1)[NH+](CC)CC ZINC000288187664 276189388 /nfs/dbraw/zinc/18/93/88/276189388.db2.gz RQJGRZKOEJSSTM-CYBMUJFWSA-N 1 0 335.408 3.208 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000289302695 276318611 /nfs/dbraw/zinc/31/86/11/276318611.db2.gz IJXKOEVZHHTWHL-OAHLLOKOSA-N 1 0 327.384 3.378 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000289765126 276390434 /nfs/dbraw/zinc/39/04/34/276390434.db2.gz KUBRZRRDNYKYNF-YOEHRIQHSA-N 1 0 346.431 3.105 20 5 EGBDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@H](C)c3cc([N+](=O)[O-])ccc3C)[C@@H]2C1 ZINC000343926457 277018335 /nfs/dbraw/zinc/01/83/35/277018335.db2.gz JBFQQRMDYKDDNC-MWLKLMTCSA-N 1 0 345.443 3.201 20 5 EGBDRO Cc1c(C(=O)N2C[C@H]([NH+](C)C)Cc3ccccc32)cccc1[N+](=O)[O-] ZINC000067209507 280212972 /nfs/dbraw/zinc/21/29/72/280212972.db2.gz AZJNCYBVAHPMIH-OAHLLOKOSA-N 1 0 339.395 3.036 20 5 EGBDRO CC(C)c1ccc(C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000363878709 280593502 /nfs/dbraw/zinc/59/35/02/280593502.db2.gz ARLZQCIAVVECDO-INIZCTEOSA-N 1 0 345.443 3.419 20 5 EGBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC(C)(C)OCC1CC1 ZINC000414236775 309068123 /nfs/dbraw/zinc/06/81/23/309068123.db2.gz GCUDPVBICNWXLG-ZDUSSCGKSA-N 1 0 349.431 3.107 20 5 EGBDRO C[C@H](C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)CC(F)(F)F ZINC000414275344 309070133 /nfs/dbraw/zinc/07/01/33/309070133.db2.gz WIXVCJVYQUILKU-SRVKXCTJSA-N 1 0 334.342 3.453 20 5 EGBDRO C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)CC(F)(F)F ZINC000414275345 309070206 /nfs/dbraw/zinc/07/02/06/309070206.db2.gz WIXVCJVYQUILKU-TUAOUCFPSA-N 1 0 334.342 3.453 20 5 EGBDRO CCCC(=O)NC[C@H]1CCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255919846 308063124 /nfs/dbraw/zinc/06/31/24/308063124.db2.gz PHMDXSNJFQWDGE-CXSQMQJXSA-N 1 0 345.443 3.236 20 5 EGBDRO COC1(CC[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000292914489 308079500 /nfs/dbraw/zinc/07/95/00/308079500.db2.gz HRRQFIUDWFAKSR-UHFFFAOYSA-N 1 0 344.415 3.044 20 5 EGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](CC(N)=O)c1ccccc1 ZINC000293697012 308153748 /nfs/dbraw/zinc/15/37/48/308153748.db2.gz RGCDTEZIDGAIMR-RHSMWYFYSA-N 1 0 341.411 3.122 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3CCC[C@@H](CO)CC3)cs2)c1 ZINC000293930200 308175113 /nfs/dbraw/zinc/17/51/13/308175113.db2.gz HHQNEORMSQCCHE-CYBMUJFWSA-N 1 0 347.440 3.313 20 5 EGBDRO C[C@H](C[C@H](O)c1ccccc1)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294776645 308255844 /nfs/dbraw/zinc/25/58/44/308255844.db2.gz NONXHMUCIFZRJS-VBHSOAQHSA-N 1 0 329.400 3.340 20 5 EGBDRO Cn1cc(C[NH+]2CCC(CF)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000294962928 308276687 /nfs/dbraw/zinc/27/66/87/308276687.db2.gz DZYZUFLINRDEIW-UHFFFAOYSA-N 1 0 332.379 3.177 20 5 EGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](O)Cc1cccc(F)c1 ZINC000295137022 308295851 /nfs/dbraw/zinc/29/58/51/308295851.db2.gz PGZZDQKBHJSYHH-RDTXWAMCSA-N 1 0 346.402 3.248 20 5 EGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](O)Cc1cccc(F)c1 ZINC000295137016 308295923 /nfs/dbraw/zinc/29/59/23/308295923.db2.gz PGZZDQKBHJSYHH-KBXCAEBGSA-N 1 0 346.402 3.248 20 5 EGBDRO C[C@H](NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000295238938 308306442 /nfs/dbraw/zinc/30/64/42/308306442.db2.gz CQTKHZQKSQQAGJ-GOEBONIOSA-N 1 0 345.443 3.427 20 5 EGBDRO C[C@H](c1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000295592965 308341781 /nfs/dbraw/zinc/34/17/81/308341781.db2.gz MQTCIBSQGACSKU-KGLIPLIRSA-N 1 0 333.432 3.269 20 5 EGBDRO CC[C@@H]([NH2+]Cc1cccc(S(C)(=O)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000295792718 308360275 /nfs/dbraw/zinc/36/02/75/308360275.db2.gz SFVYYECEXXCNDF-QGZVFWFLSA-N 1 0 348.424 3.239 20 5 EGBDRO C[NH+](C)[C@H](CNc1ccc(Br)cc1[N+](=O)[O-])C1CC1 ZINC000301181236 308690874 /nfs/dbraw/zinc/69/08/74/308690874.db2.gz HWSCKOOSFJPPJQ-CYBMUJFWSA-N 1 0 328.210 3.109 20 5 EGBDRO Cc1ccnc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)c1[N+](=O)[O-] ZINC000301304017 308695830 /nfs/dbraw/zinc/69/58/30/308695830.db2.gz SQYHXZZUEIIBKT-MRXNPFEDSA-N 1 0 332.448 3.391 20 5 EGBDRO C[C@@H](Nc1ncc(Br)cc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000301686205 308710879 /nfs/dbraw/zinc/71/08/79/308710879.db2.gz LSQJOSBWBNQVCR-SECBINFHSA-N 1 0 345.241 3.141 20 5 EGBDRO C[NH+](C)[C@@H]1CCC[C@@H](Nc2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000301695148 308711297 /nfs/dbraw/zinc/71/12/97/308711297.db2.gz PGPPAKGLWQIQFO-GHMZBOCLSA-N 1 0 343.225 3.037 20 5 EGBDRO CC[NH+]1CCC(N(C)C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 ZINC000332151976 308828237 /nfs/dbraw/zinc/82/82/37/308828237.db2.gz IXFINWFWAYEAFR-UHFFFAOYSA-N 1 0 347.440 3.366 20 5 EGBDRO O=[N+]([O-])c1cnc(N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c(C(F)(F)F)c1 ZINC000413062232 309014015 /nfs/dbraw/zinc/01/40/15/309014015.db2.gz RADBQLLHPBJUFC-VXGBXAGGSA-N 1 0 330.310 3.047 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]([NH+]3CCCCC3)C2)c2cccnc21 ZINC000413135188 309017709 /nfs/dbraw/zinc/01/77/09/309017709.db2.gz MISHFZYQEVWCGL-CQSZACIVSA-N 1 0 326.400 3.208 20 5 EGBDRO O=[N+]([O-])c1ccc2ccnc(N3CC[C@H]([NH+]4CCCCC4)C3)c2c1 ZINC000413145528 309018204 /nfs/dbraw/zinc/01/82/04/309018204.db2.gz ZZHLITVRGRKDND-INIZCTEOSA-N 1 0 326.400 3.208 20 5 EGBDRO O=[N+]([O-])c1ccc2ccnc(N3CC[C@H](C[NH+]4CCCC4)C3)c2c1 ZINC000413161496 309018964 /nfs/dbraw/zinc/01/89/64/309018964.db2.gz ZAMBUKATQFFXBR-CQSZACIVSA-N 1 0 326.400 3.065 20 5 EGBDRO [NH3+][C@H](CNCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)C1CC1 ZINC000414891561 309107560 /nfs/dbraw/zinc/10/75/60/309107560.db2.gz OIWOKEYRTZPGLE-MRXNPFEDSA-N 1 0 345.374 3.353 20 5 EGBDRO CC1(C)C[NH2+]CC[C@H]1NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000414978134 309112454 /nfs/dbraw/zinc/11/24/54/309112454.db2.gz SFRHUPYJFCGNPN-QGZVFWFLSA-N 1 0 329.400 3.333 20 5 EGBDRO CC(C)(C)[C@@H](C[NH3+])NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000415056968 309117045 /nfs/dbraw/zinc/11/70/45/309117045.db2.gz RMBVYEJIQGNVEZ-CQSZACIVSA-N 1 0 334.445 3.181 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000415305018 309130573 /nfs/dbraw/zinc/13/05/73/309130573.db2.gz WLZZIHOKHZIHRK-CQSZACIVSA-N 1 0 334.420 3.241 20 5 EGBDRO COC[C@@]1(CNc2cc(C)c([N+](=O)[O-])cc2C(F)(F)F)CCC[NH2+]1 ZINC000420251371 309278129 /nfs/dbraw/zinc/27/81/29/309278129.db2.gz LLCHXGABNQSMGJ-AWEZNQCLSA-N 1 0 347.337 3.103 20 5 EGBDRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2Nc1ccc([N+](=O)[O-])cc1OC(F)F ZINC000420277627 309279034 /nfs/dbraw/zinc/27/90/34/309279034.db2.gz IOUNIVBELBKVQH-HZNSRWLBSA-N 1 0 327.331 3.124 20 5 EGBDRO [NH3+][C@H]1CCC[C@@H](CNc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C1 ZINC000420291723 309279651 /nfs/dbraw/zinc/27/96/51/309279651.db2.gz VZVLFHYDIDMYKU-HIFRSBDPSA-N 1 0 326.400 3.008 20 5 EGBDRO [NH3+][C@@H]1CCC[C@H](CNc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)C1 ZINC000420291962 309279670 /nfs/dbraw/zinc/27/96/70/309279670.db2.gz WASMRXNYUFYXSY-WCQYABFASA-N 1 0 332.429 3.070 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000421498990 309327182 /nfs/dbraw/zinc/32/71/82/309327182.db2.gz UJURSXFOMFXNJL-MRXNPFEDSA-N 1 0 345.443 3.016 20 5 EGBDRO CCC[C@H]([NH2+]C[C@@H]1CC(=O)N(CCC)C1)c1cccc([N+](=O)[O-])c1 ZINC000421879489 309344768 /nfs/dbraw/zinc/34/47/68/309344768.db2.gz NFDPPHUDUQKREA-YOEHRIQHSA-N 1 0 333.432 3.284 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC[N@H+](CC2CCC2)CC1 ZINC000422091534 309354588 /nfs/dbraw/zinc/35/45/88/309354588.db2.gz DZGRBTUOVZVPEG-UHFFFAOYSA-N 1 0 345.443 3.160 20 5 EGBDRO [NH3+][C@H]1CCCCC[C@@H]1NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000423091487 309385422 /nfs/dbraw/zinc/38/54/22/309385422.db2.gz XFHHUJVWSFKHAS-KBPBESRZSA-N 1 0 331.338 3.363 20 5 EGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2NCC[NH2+]C2CCCCCC2)n1 ZINC000423282993 309393920 /nfs/dbraw/zinc/39/39/20/309393920.db2.gz VNUIAPHYJUAKCD-DLBZAZTESA-N 1 0 349.479 3.177 20 5 EGBDRO CCc1ccc([C@@H](NC[C@@H]([NH3+])C2CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000423330361 309395514 /nfs/dbraw/zinc/39/55/14/309395514.db2.gz UFIQDFRWGNGCCQ-AEFFLSMTSA-N 1 0 329.400 3.167 20 5 EGBDRO NC[C@H]([NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000423513113 309403933 /nfs/dbraw/zinc/40/39/33/309403933.db2.gz VEAMXDPACOEGIU-NXHRZFHOSA-N 1 0 331.460 3.413 20 5 EGBDRO O=C(C[C@@H]1CC[NH2+]C1)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000427387354 309528102 /nfs/dbraw/zinc/52/81/02/309528102.db2.gz QPCQXPAJDVYNLK-ZDUSSCGKSA-N 1 0 341.367 3.325 20 5 EGBDRO CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000429316808 309578228 /nfs/dbraw/zinc/57/82/28/309578228.db2.gz XBQIEINMBJCCSS-JKSUJKDBSA-N 1 0 340.395 3.426 20 5 EGBDRO Cc1ccc([C@H](C)NC(=O)[C@@H]2CCCCCC[C@H]2[NH3+])cc1[N+](=O)[O-] ZINC000430080921 309596477 /nfs/dbraw/zinc/59/64/77/309596477.db2.gz PPPKMPPSWOQWMS-NUEKZKHPSA-N 1 0 333.432 3.378 20 5 EGBDRO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000430816409 309618369 /nfs/dbraw/zinc/61/83/69/309618369.db2.gz MDMUWJYEFSQPGE-RDJZCZTQSA-N 1 0 333.432 3.225 20 5 EGBDRO CC1(C)C[C@@H]([NH2+]CCCOC[C@@H]2CCCO2)c2cc([N+](=O)[O-])ccc21 ZINC000433165547 309680332 /nfs/dbraw/zinc/68/03/32/309680332.db2.gz CHBLWPULTJONSR-MAUKXSAKSA-N 1 0 348.443 3.493 20 5 EGBDRO CCO[C@@H]1COCC[C@H]1[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433235131 309682987 /nfs/dbraw/zinc/68/29/87/309682987.db2.gz MJFKOLVRBWNQTB-IXDOHACOSA-N 1 0 334.416 3.101 20 5 EGBDRO CCCCNC(=O)C1([NH2+]CCc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000440897940 309858000 /nfs/dbraw/zinc/85/80/00/309858000.db2.gz WAAFNGRCXAOUQM-UHFFFAOYSA-N 1 0 347.459 3.346 20 5 EGBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]CC=Cc3ccc(F)cc3)nc2c1 ZINC000446848748 309969486 /nfs/dbraw/zinc/96/94/86/309969486.db2.gz JORHNIGKUXYYAO-UPHRSURJSA-N 1 0 326.331 3.413 20 5 EGBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]Cc2ccc(F)cc2F)n1 ZINC000447539082 309981257 /nfs/dbraw/zinc/98/12/57/309981257.db2.gz FLQCVWNGCOXBGL-CABCVRRESA-N 1 0 336.342 3.343 20 5 EGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 ZINC000449068405 310034323 /nfs/dbraw/zinc/03/43/23/310034323.db2.gz BKMWRGGABBYJPV-BZUAXINKSA-N 1 0 349.475 3.003 20 5 EGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](c1ccsc1)N(C)C ZINC000449072960 310034981 /nfs/dbraw/zinc/03/49/81/310034981.db2.gz RBUCZMKCANSJTJ-SUMWQHHRSA-N 1 0 333.457 3.480 20 5 EGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1nnc2n1CCCCC2 ZINC000449076906 310035198 /nfs/dbraw/zinc/03/51/98/310035198.db2.gz UUQJOKOPFJRCKO-KBPBESRZSA-N 1 0 343.431 3.195 20 5 EGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccc2c1OCCCO2 ZINC000449197244 310043982 /nfs/dbraw/zinc/04/39/82/310043982.db2.gz VGXVDEMSBZMYLD-AWEZNQCLSA-N 1 0 342.395 3.477 20 5 EGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1Cc2ccccc2N(C)C1 ZINC000449265438 310048622 /nfs/dbraw/zinc/04/86/22/310048622.db2.gz QFPZTIQVMAAPJK-CVEARBPZSA-N 1 0 339.439 3.424 20 5 EGBDRO CC[C@@H](COCC(F)(F)F)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449381853 310057896 /nfs/dbraw/zinc/05/78/96/310057896.db2.gz TZNWSFFPWDSYET-YPMHNXCESA-N 1 0 334.338 3.473 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]([C@@H](CO)C1CC1)C1CC1 ZINC000449513115 310068344 /nfs/dbraw/zinc/06/83/44/310068344.db2.gz VLUKQLKQHBAMFP-CLARTRLESA-N 1 0 330.428 3.385 20 5 EGBDRO CC[C@H]([NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1)[C@@H](C)O ZINC000449534606 310069894 /nfs/dbraw/zinc/06/98/94/310069894.db2.gz CMWRVFLMAVUSLT-ABAIWWIYSA-N 1 0 334.372 3.112 20 5 EGBDRO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000449588658 310074062 /nfs/dbraw/zinc/07/40/62/310074062.db2.gz QOKQGEOYJCJNER-BMFZPTHFSA-N 1 0 334.416 3.237 20 5 EGBDRO C[C@@H](Cc1cnn(C)c1)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000449593530 310074471 /nfs/dbraw/zinc/07/44/71/310074471.db2.gz ZYLKYKAHOSOIBY-ZDUSSCGKSA-N 1 0 340.383 3.309 20 5 EGBDRO CC(C)(O)C(C)(C)C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000449719096 310082438 /nfs/dbraw/zinc/08/24/38/310082438.db2.gz GYQOCUCTZGHHEG-UHFFFAOYSA-N 1 0 332.347 3.083 20 5 EGBDRO CC[NH+](CC)CCN(Cc1ccccc1)c1ncc([N+](=O)[O-])c(C)n1 ZINC000450377788 310119026 /nfs/dbraw/zinc/11/90/26/310119026.db2.gz JXSQTDNQISLFLU-UHFFFAOYSA-N 1 0 343.431 3.042 20 5 EGBDRO C[N@@H+]1CC[C@]2(CCN(c3nc(-c4ccc([N+](=O)[O-])cc4)cs3)C2)C1 ZINC000450539504 310128830 /nfs/dbraw/zinc/12/88/30/310128830.db2.gz KHTVPFFRRPTPNG-KRWDZBQOSA-N 1 0 344.440 3.250 20 5 EGBDRO C[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)NCC1CCCCC1 ZINC000451102292 310160750 /nfs/dbraw/zinc/16/07/50/310160750.db2.gz CILDDPSDRHJENR-KBPBESRZSA-N 1 0 333.432 3.330 20 5 EGBDRO C[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)NC1CCC(C)CC1 ZINC000451109750 310161093 /nfs/dbraw/zinc/16/10/93/310161093.db2.gz YYZUAQYTIDJIBA-WJEHIRDRSA-N 1 0 333.432 3.329 20 5 EGBDRO CCC[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000451435192 310178418 /nfs/dbraw/zinc/17/84/18/310178418.db2.gz JAODLSDZPSHCFA-OAHLLOKOSA-N 1 0 342.461 3.173 20 5 EGBDRO CCOc1cc(C[NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)ccc1[N+](=O)[O-] ZINC000451482585 310180447 /nfs/dbraw/zinc/18/04/47/310180447.db2.gz WFCAMMGAYSCNLS-XYPHTWIQSA-N 1 0 334.416 3.287 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000451505211 310181657 /nfs/dbraw/zinc/18/16/57/310181657.db2.gz SPFBPVFUBKZQJD-NXHRZFHOSA-N 1 0 346.427 3.429 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000451621791 310189878 /nfs/dbraw/zinc/18/98/78/310189878.db2.gz XXAZUDWCTYCUFC-SJORKVTESA-N 1 0 346.427 3.385 20 5 EGBDRO CC(C)[N@@H+]1CC[C@@H](N(C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000452116526 310213188 /nfs/dbraw/zinc/21/31/88/310213188.db2.gz NFZBADUQYBDWPY-QGZVFWFLSA-N 1 0 344.415 3.164 20 5 EGBDRO O=C(CC[NH+]1CC(C2CCCCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000453029491 310253365 /nfs/dbraw/zinc/25/33/65/310253365.db2.gz XEWIPTAQSCFITA-UHFFFAOYSA-N 1 0 331.416 3.436 20 5 EGBDRO C[C@H](CCCc1cccnc1)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000453139392 310260515 /nfs/dbraw/zinc/26/05/15/310260515.db2.gz JSFNIDHAYFEWHT-OAHLLOKOSA-N 1 0 329.400 3.370 20 5 EGBDRO C[C@@H](Cc1cnccn1)[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000453214386 310264502 /nfs/dbraw/zinc/26/45/02/310264502.db2.gz JRDRXQONRYYXPN-JTQLQIEISA-N 1 0 340.305 3.124 20 5 EGBDRO CC(C)(C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)c1ccccn1 ZINC000453298156 310269815 /nfs/dbraw/zinc/26/98/15/310269815.db2.gz WADFWZDRTJVGLM-CABCVRRESA-N 1 0 343.431 3.237 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCO[C@@H](c3nccn3C)C2)cc1[N+](=O)[O-] ZINC000453393829 310274616 /nfs/dbraw/zinc/27/46/16/310274616.db2.gz ILTFZGLEMINCRC-JLJPHGGASA-N 1 0 344.415 3.208 20 5 EGBDRO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1cccnc1C)c1cccc([N+](=O)[O-])c1 ZINC000453442243 310277316 /nfs/dbraw/zinc/27/73/16/310277316.db2.gz NHXMLBCBOCWRAN-BBRMVZONSA-N 1 0 342.399 3.366 20 5 EGBDRO Cc1ccc(C[C@H](CO)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1C ZINC000453451762 310277779 /nfs/dbraw/zinc/27/77/79/310277779.db2.gz RVJRJMHYBIUTEF-CRAIPNDOSA-N 1 0 328.412 3.466 20 5 EGBDRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3)ccc21 ZINC000456260948 310395333 /nfs/dbraw/zinc/39/53/33/310395333.db2.gz IPVGICOHNGNLRO-QGZVFWFLSA-N 1 0 325.368 3.396 20 5 EGBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@H+](CC)C[C@@H]1CC ZINC000456341602 310399608 /nfs/dbraw/zinc/39/96/08/310399608.db2.gz BCVRNNUXUBUHMJ-SJORKVTESA-N 1 0 347.459 3.106 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cc(=O)[nH]c(C3CC3)n2)cc1[N+](=O)[O-] ZINC000459388202 310549339 /nfs/dbraw/zinc/54/93/39/310549339.db2.gz OKLKBPDBQYFESL-LLVKDONJSA-N 1 0 328.372 3.127 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCN(C)CC(F)(F)F ZINC000468629698 310691381 /nfs/dbraw/zinc/69/13/81/310691381.db2.gz VTAJMBGLNJQWDG-XYOKQWHBSA-N 1 0 331.338 3.082 20 5 EGBDRO C[C@H](O)[C@](C)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1F)Cc1ccccc1 ZINC000480465493 310895042 /nfs/dbraw/zinc/89/50/42/310895042.db2.gz DVUKFJUFGLDOKZ-LIRRHRJNSA-N 1 0 346.402 3.453 20 5 EGBDRO O=[N+]([O-])c1ccc(CCCC[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000488120834 311052218 /nfs/dbraw/zinc/05/22/18/311052218.db2.gz RFVUZKKJCMXSAR-KSZLIROESA-N 1 0 330.428 3.465 20 5 EGBDRO C[C@H]1CCCC[C@@H]1NC(=O)CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000490831552 311154302 /nfs/dbraw/zinc/15/43/02/311154302.db2.gz YMNLNEIARROJHZ-KSSFIOAISA-N 1 0 345.443 3.254 20 5 EGBDRO CCOC(=O)N(C)C1CC[NH+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000491007236 311160546 /nfs/dbraw/zinc/16/05/46/311160546.db2.gz HSOAWBFLNMAHLD-CYBMUJFWSA-N 1 0 335.404 3.209 20 5 EGBDRO C[C@@H]([NH2+][C@@H](COC(N)=O)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000496159589 311670707 /nfs/dbraw/zinc/67/07/07/311670707.db2.gz PCYWMQUYKZEUMZ-CZUORRHYSA-N 1 0 343.383 3.366 20 5 EGBDRO C[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000496429090 311711455 /nfs/dbraw/zinc/71/14/55/311711455.db2.gz HUBLMKUMJOSFDO-RISCZKNCSA-N 1 0 335.404 3.085 20 5 EGBDRO CC(C)(C(=O)NCCCCC[NH+]1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000508091170 312088088 /nfs/dbraw/zinc/08/80/88/312088088.db2.gz VKYYXZNSHHNZIF-UHFFFAOYSA-N 1 0 347.459 3.255 20 5 EGBDRO C[C@@](CO)([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)C1CCCCC1 ZINC000509657283 312122624 /nfs/dbraw/zinc/12/26/24/312122624.db2.gz JQVWHFAJVPRCPB-INIZCTEOSA-N 1 0 328.359 3.294 20 5 EGBDRO C[N@H+](CCC(=O)c1ccc(F)cc1)CCc1ccccc1[N+](=O)[O-] ZINC000511120790 312155207 /nfs/dbraw/zinc/15/52/07/312155207.db2.gz DMFGNVBGNQXKDR-UHFFFAOYSA-N 1 0 330.359 3.481 20 5 EGBDRO CCc1ccc([C@@H]([NH2+]C[C@@H](CO)C2CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000514975812 312257740 /nfs/dbraw/zinc/25/77/40/312257740.db2.gz IAJXOEVPLUQCTP-KXBFYZLASA-N 1 0 344.411 3.448 20 5 EGBDRO C[C@@H](C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000515430656 312282510 /nfs/dbraw/zinc/28/25/10/312282510.db2.gz GGJFLAQTCXWUNY-ZNMIVQPWSA-N 1 0 345.443 3.347 20 5 EGBDRO CCO[C@H]1C[C@@H]([NH2+]CCOc2ccccc2[N+](=O)[O-])C12CCCC2 ZINC000516346745 312320928 /nfs/dbraw/zinc/32/09/28/312320928.db2.gz ICQOHACJPXKJCN-SJORKVTESA-N 1 0 334.416 3.301 20 5 EGBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3ccnc4ccccc34)nc2c1 ZINC000519623617 312465633 /nfs/dbraw/zinc/46/56/33/312465633.db2.gz URYZQEPNEAGWEB-UHFFFAOYSA-N 1 0 333.351 3.309 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CCN(CC(F)(F)F)C1 ZINC000526046499 312786509 /nfs/dbraw/zinc/78/65/09/312786509.db2.gz TYOMAXNCESVVDH-GMMCIKNFSA-N 1 0 343.349 3.224 20 5 EGBDRO CC[C@H]([NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC000531724375 313705864 /nfs/dbraw/zinc/70/58/64/313705864.db2.gz KIGXCPMEKZUCAJ-DYVFJYSZSA-N 1 0 349.431 3.107 20 5 EGBDRO COc1ccc2c(c1)CC[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)CC2 ZINC000535551209 314052096 /nfs/dbraw/zinc/05/20/96/314052096.db2.gz ZIMVYRIMDMOYJY-UHFFFAOYSA-N 1 0 342.395 3.213 20 5 EGBDRO C[C@@H](O)C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000536649125 314134330 /nfs/dbraw/zinc/13/43/30/314134330.db2.gz GAQVOVMPAVOBKV-AYAUWGRQSA-N 1 0 326.396 3.491 20 5 EGBDRO C[C@]1([NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])CCCc2ccccc21 ZINC000538708033 314267763 /nfs/dbraw/zinc/26/77/63/314267763.db2.gz IYZQMGHOCOAZKU-IBGZPJMESA-N 1 0 339.395 3.375 20 5 EGBDRO Cc1ccc(C(=O)NCC[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000539067769 314294103 /nfs/dbraw/zinc/29/41/03/314294103.db2.gz IMQXOTLORWJKSZ-HNNXBMFYSA-N 1 0 341.411 3.292 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)C(=O)NCc1ccccc1 ZINC000539628319 314324998 /nfs/dbraw/zinc/32/49/98/314324998.db2.gz JNPLURRLTWFMOF-LSDHHAIUSA-N 1 0 341.411 3.259 20 5 EGBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC[C@H]1CCO[C@@H](C)C1 ZINC000543409835 314626358 /nfs/dbraw/zinc/62/63/58/314626358.db2.gz HCQNPSQJGRXNAM-ILXRZTDVSA-N 1 0 349.431 3.107 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+]C(C)(C)c1cccs1 ZINC000543506337 314634366 /nfs/dbraw/zinc/63/43/66/314634366.db2.gz ZMBKUOLXQPYWNM-UHFFFAOYSA-N 1 0 333.413 3.428 20 5 EGBDRO COC(=O)[C@@H](Cc1ccccc1)[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000551721005 315165150 /nfs/dbraw/zinc/16/51/50/315165150.db2.gz KRPXZZUGNQNUAX-KSSFIOAISA-N 1 0 342.395 3.105 20 5 EGBDRO CC[C@H](C)[C@H](C)[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000554331011 315310616 /nfs/dbraw/zinc/31/06/16/315310616.db2.gz HZSHDIXPJFVNCS-KBPBESRZSA-N 1 0 345.443 3.383 20 5 EGBDRO C[C@@H]([NH2+][C@@H]1CCC1(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000554406661 315316224 /nfs/dbraw/zinc/31/62/24/315316224.db2.gz DRUACKLAMMNCMZ-NOZJJQNGSA-N 1 0 325.796 3.353 20 5 EGBDRO C[C@H](Nc1ccc([N+](=O)[O-])c(N)c1F)[C@H](c1ccccc1)[NH+](C)C ZINC000558607870 315583145 /nfs/dbraw/zinc/58/31/45/315583145.db2.gz BYWVXDHOSGIIQD-APPDUMDISA-N 1 0 332.379 3.419 20 5 EGBDRO CC(C)(C)[C@@H]1C[C@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000570626048 317083298 /nfs/dbraw/zinc/08/32/98/317083298.db2.gz XLKJBCYAAWASRF-CJNGLKHVSA-N 1 0 349.431 3.107 20 5 EGBDRO CC(C)Oc1nc(N2CCC[C@@H]2C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000570645546 317087031 /nfs/dbraw/zinc/08/70/31/317087031.db2.gz HHGBCHGXEWOTKF-OAHLLOKOSA-N 1 0 348.447 3.232 20 5 EGBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]C[C@@H](O)Cc2ccc(F)cc2)cc1 ZINC000570711650 317096490 /nfs/dbraw/zinc/09/64/90/317096490.db2.gz YYMBPYQTHQFLLR-IBGZPJMESA-N 1 0 346.402 3.250 20 5 EGBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]C[C@H](O)Cc2ccc(F)cc2)cc1 ZINC000570711651 317096735 /nfs/dbraw/zinc/09/67/35/317096735.db2.gz YYMBPYQTHQFLLR-LJQANCHMSA-N 1 0 346.402 3.250 20 5 EGBDRO COC[C@H](Cc1ccccc1)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000570738881 317100203 /nfs/dbraw/zinc/10/02/03/317100203.db2.gz GNMRXRRYXUEUPB-YJBOKZPZSA-N 1 0 326.396 3.429 20 5 EGBDRO COC(=O)[C@@H](Cc1ccccc1)[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000570831507 317114786 /nfs/dbraw/zinc/11/47/86/317114786.db2.gz MHFFEKUOONGISL-KSSFIOAISA-N 1 0 342.395 3.105 20 5 EGBDRO CN(Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC000570966936 317133534 /nfs/dbraw/zinc/13/35/34/317133534.db2.gz ZORSCNIAUUCQRA-QGZVFWFLSA-N 1 0 340.427 3.156 20 5 EGBDRO O=C1CCCN1[C@@H]1CCC[C@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000573935826 317544969 /nfs/dbraw/zinc/54/49/69/317544969.db2.gz RETIFNDAWZMBPD-VBQJREDUSA-N 1 0 343.427 3.105 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C3(CO)CCCC3)cs2)c1 ZINC000177591867 323342978 /nfs/dbraw/zinc/34/29/78/323342978.db2.gz UJPYIGWURUCOFZ-UHFFFAOYSA-N 1 0 333.413 3.113 20 5 EGBDRO CC(C)([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1cccc(F)c1 ZINC000179567630 323392833 /nfs/dbraw/zinc/39/28/33/323392833.db2.gz OYUUQPAUPGMIBF-UHFFFAOYSA-N 1 0 331.347 3.197 20 5 EGBDRO CC[C@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H]1CCCO1 ZINC000182283041 323539306 /nfs/dbraw/zinc/53/93/06/323539306.db2.gz OZNSOTOAGYLCPR-HOTGVXAUSA-N 1 0 345.399 3.340 20 5 EGBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC[C@@H]1C[NH+](C)C ZINC000184756729 323674944 /nfs/dbraw/zinc/67/49/44/323674944.db2.gz NHZWUVIORSEYOT-FUHWJXTLSA-N 1 0 347.459 3.106 20 5 EGBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000194005426 323847963 /nfs/dbraw/zinc/84/79/63/323847963.db2.gz UMIXXSCWLAELLE-GXTWGEPZSA-N 1 0 335.404 3.100 20 5 EGBDRO O=[N+]([O-])c1cc(F)ccc1OCc1ccc(CN2CCOCC2)cc1 ZINC000421177603 324311587 /nfs/dbraw/zinc/31/15/87/324311587.db2.gz AQWKFHATVOQRPA-UHFFFAOYSA-N 1 0 346.358 3.145 20 5 EGBDRO CC(C)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000578316063 324951164 /nfs/dbraw/zinc/95/11/64/324951164.db2.gz LRCOLBQNEUGYSK-OWCLPIDISA-N 1 0 336.432 3.139 20 5 EGBDRO Cc1cccc([C@@H](C)C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000581662599 325380620 /nfs/dbraw/zinc/38/06/20/325380620.db2.gz OTFZZMWATNTEMJ-YJBOKZPZSA-N 1 0 344.411 3.036 20 5 EGBDRO Cc1cc([N+](=O)[O-])cnc1NC1CC[NH+](Cc2ccccc2)CC1 ZINC000264482084 455221964 /nfs/dbraw/zinc/22/19/64/455221964.db2.gz QKHJUTSKYXVFEP-UHFFFAOYSA-N 1 0 326.400 3.375 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3CCC[C@@H]3CCO)o2)cc1 ZINC000189978129 455264957 /nfs/dbraw/zinc/26/49/57/455264957.db2.gz CPRRZANJKPCGNP-DYVFJYSZSA-N 1 0 330.384 3.496 20 5 EGBDRO C[C@H]([NH2+]CCCc1nnc2n1CCCCC2)c1cccc([N+](=O)[O-])c1 ZINC000173377681 455275239 /nfs/dbraw/zinc/27/52/39/455275239.db2.gz VAXVOKVSBGPORQ-AWEZNQCLSA-N 1 0 343.431 3.196 20 5 EGBDRO Cc1c(C[NH2+]Cc2ccc(C(=O)NC3CC3)cc2)cccc1[N+](=O)[O-] ZINC000616483553 460567781 /nfs/dbraw/zinc/56/77/81/460567781.db2.gz ILZHNOXGRWBMEJ-UHFFFAOYSA-N 1 0 339.395 3.085 20 5 EGBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCN(Cc2cccs2)CC1 ZINC000020544202 453666688 /nfs/dbraw/zinc/66/66/88/453666688.db2.gz MZWSAJZXPHTMJW-UHFFFAOYSA-N 1 0 346.412 3.006 20 5 EGBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)C[C@@H]1CCCOC1 ZINC000174148550 455364964 /nfs/dbraw/zinc/36/49/64/455364964.db2.gz CQYDNVCFUIRKDQ-STQMWFEESA-N 1 0 346.387 3.064 20 5 EGBDRO Cc1c(NC(=O)CC[N@@H+](C)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000026157371 453793314 /nfs/dbraw/zinc/79/33/14/453793314.db2.gz PNNCTJCORIAFAQ-UHFFFAOYSA-N 1 0 327.384 3.364 20 5 EGBDRO CCCC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)C1CC1 ZINC000026450687 453800059 /nfs/dbraw/zinc/80/00/59/453800059.db2.gz JSAQQYLTESZWEU-UHFFFAOYSA-N 1 0 335.404 3.197 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@H]1CCC[C@@H](C)C1 ZINC000026478502 453801209 /nfs/dbraw/zinc/80/12/09/453801209.db2.gz XCAFXVKPLAUEOP-KGLIPLIRSA-N 1 0 349.431 3.443 20 5 EGBDRO CC(C)[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000027369508 453815936 /nfs/dbraw/zinc/81/59/36/453815936.db2.gz AAKGUOQNNAWETM-KRWDZBQOSA-N 1 0 345.374 3.320 20 5 EGBDRO CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H]1COc2ccccc2O1 ZINC000031173149 453840941 /nfs/dbraw/zinc/84/09/41/453840941.db2.gz HANUWHFSUNJQJS-INIZCTEOSA-N 1 0 328.368 3.257 20 5 EGBDRO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)C1CCCC1 ZINC000052908786 453848939 /nfs/dbraw/zinc/84/89/39/453848939.db2.gz CCYDFKKUDZMZAY-UHFFFAOYSA-N 1 0 335.404 3.197 20 5 EGBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000081361844 453864951 /nfs/dbraw/zinc/86/49/51/453864951.db2.gz OFVWUCUXFIFFNT-OAHLLOKOSA-N 1 0 347.459 3.063 20 5 EGBDRO O=C(CC1CCCC1)NC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000066875397 453882978 /nfs/dbraw/zinc/88/29/78/453882978.db2.gz LKPRRVRXUWYMDQ-UHFFFAOYSA-N 1 0 345.443 3.256 20 5 EGBDRO C[N@H+](CCNc1ncc([N+](=O)[O-])cc1Br)C1CCCC1 ZINC000081941536 453919349 /nfs/dbraw/zinc/91/93/49/453919349.db2.gz WBSCCRUAXSNELI-UHFFFAOYSA-N 1 0 343.225 3.039 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000159582943 455387482 /nfs/dbraw/zinc/38/74/82/455387482.db2.gz WUDQCYIQQUEXSL-YOEHRIQHSA-N 1 0 331.416 3.496 20 5 EGBDRO COc1ccc(C[N@H+](C)[C@H](CCO)c2ccccc2)cc1[N+](=O)[O-] ZINC000075899956 453937210 /nfs/dbraw/zinc/93/72/10/453937210.db2.gz JZRANARWTPEIIX-MRXNPFEDSA-N 1 0 330.384 3.159 20 5 EGBDRO CC[N@H+](C)Cc1cccc(CNC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000067718684 453960294 /nfs/dbraw/zinc/96/02/94/453960294.db2.gz MLLUIGULUQOYOQ-UHFFFAOYSA-N 1 0 342.399 3.368 20 5 EGBDRO O=[N+]([O-])c1cccc(C[N@H+](CCc2ccccc2)[C@@H]2CCOC2)c1 ZINC000084133302 453971484 /nfs/dbraw/zinc/97/14/84/453971484.db2.gz CIJDDWCVYCUCPL-LJQANCHMSA-N 1 0 326.396 3.428 20 5 EGBDRO O=C(C[N@@H+]1CCC[C@@H]1C1CCCC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000055927442 454026181 /nfs/dbraw/zinc/02/61/81/454026181.db2.gz IEPGHMKUZZBYDX-QGZVFWFLSA-N 1 0 343.427 3.139 20 5 EGBDRO C[C@@H]([NH2+][C@@H](C)C(=O)N1CCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000056197269 454043249 /nfs/dbraw/zinc/04/32/49/454043249.db2.gz MCFPCBZQGKHMGQ-KGLIPLIRSA-N 1 0 339.395 3.223 20 5 EGBDRO C[NH+](C)[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000056341975 454052249 /nfs/dbraw/zinc/05/22/49/454052249.db2.gz UEWZCLGJKAPJJI-INIZCTEOSA-N 1 0 346.362 3.158 20 5 EGBDRO C[C@@H](NC(=O)NCC(C)(C)[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000056371842 454054938 /nfs/dbraw/zinc/05/49/38/454054938.db2.gz IWXJPSXSZREIAD-CQSZACIVSA-N 1 0 348.447 3.220 20 5 EGBDRO O=[N+]([O-])c1ccc(OCCCN2CCC[C@@H]2C[NH+]2CCCCC2)cc1 ZINC000069031065 454073326 /nfs/dbraw/zinc/07/33/26/454073326.db2.gz ROXRJEZANFWDJE-GOSISDBHSA-N 1 0 347.459 3.314 20 5 EGBDRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1csc([N+](=O)[O-])c1 ZINC000044958907 454129189 /nfs/dbraw/zinc/12/91/89/454129189.db2.gz CCOJLKRKERJTQN-UHFFFAOYSA-N 1 0 347.440 3.428 20 5 EGBDRO O=[N+]([O-])c1ccc(CN2CCN(c3ccc(O)cc3)CC2)c(Cl)c1 ZINC000182012776 455416382 /nfs/dbraw/zinc/41/63/82/455416382.db2.gz QZPCYBBTPSZTHN-UHFFFAOYSA-N 1 0 347.802 3.276 20 5 EGBDRO CCOc1ccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000058092808 454163333 /nfs/dbraw/zinc/16/33/33/454163333.db2.gz YOUZRRYSRMEYDR-UHFFFAOYSA-N 1 0 330.384 3.334 20 5 EGBDRO O=C(CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)NC1CCCC1 ZINC000130201738 454181318 /nfs/dbraw/zinc/18/13/18/454181318.db2.gz MYHKZRCHFCFNOC-UHFFFAOYSA-N 1 0 331.416 3.008 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000093927650 454181317 /nfs/dbraw/zinc/18/13/17/454181317.db2.gz DUDCSYHKZXEZQK-UHFFFAOYSA-N 1 0 345.443 3.220 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1CCCCC1(C)C ZINC000119996758 454244841 /nfs/dbraw/zinc/24/48/41/454244841.db2.gz TZDDINXHBQABQX-MRXNPFEDSA-N 1 0 349.431 3.490 20 5 EGBDRO Cc1ccnc(N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000078506576 454266810 /nfs/dbraw/zinc/26/68/10/454266810.db2.gz SQWZSEDQTGMWHG-MRXNPFEDSA-N 1 0 326.400 3.009 20 5 EGBDRO COc1cccc([C@H](CNc2ncc([N+](=O)[O-])cc2C)[NH+](C)C)c1 ZINC000072062622 454270399 /nfs/dbraw/zinc/27/03/99/454270399.db2.gz PRLQZODNHKOTNH-INIZCTEOSA-N 1 0 330.388 3.022 20 5 EGBDRO CC[NH+](CC)[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000060157237 454270699 /nfs/dbraw/zinc/27/06/99/454270699.db2.gz SXSAODUOUXXMKH-OAHLLOKOSA-N 1 0 331.372 3.001 20 5 EGBDRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccco1 ZINC000060157071 454270831 /nfs/dbraw/zinc/27/08/31/454270831.db2.gz OCUHAPORKTYGQI-INIZCTEOSA-N 1 0 345.399 3.309 20 5 EGBDRO CC[C@H]([NH2+][C@H](C)C(=O)N1CCCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000090068393 454271168 /nfs/dbraw/zinc/27/11/68/454271168.db2.gz HAOHZXXOTOELFW-PBHICJAKSA-N 1 0 333.432 3.427 20 5 EGBDRO Cc1ccc(C(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)cc1[N+](=O)[O-] ZINC000060395369 454284245 /nfs/dbraw/zinc/28/42/45/454284245.db2.gz PIBYNDMYMCMRJF-UHFFFAOYSA-N 1 0 333.432 3.096 20 5 EGBDRO CCC[C@H]([NH2+]CCCNC(=O)C1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000090183799 454292171 /nfs/dbraw/zinc/29/21/71/454292171.db2.gz FIFRJPDKFZKADV-KRWDZBQOSA-N 1 0 333.432 3.332 20 5 EGBDRO Cc1ccc([C@H](CNc2ncc(C)cc2[N+](=O)[O-])[NH+]2CCCC2)o1 ZINC000078657317 454293682 /nfs/dbraw/zinc/29/36/82/454293682.db2.gz WPPJNUIBGLMKKG-HNNXBMFYSA-N 1 0 330.388 3.449 20 5 EGBDRO C[C@@H]([NH2+][C@@H]1CCN(C2CCCCC2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000090464358 454309211 /nfs/dbraw/zinc/30/92/11/454309211.db2.gz QXYULSJCJRBUQD-CXAGYDPISA-N 1 0 331.416 3.179 20 5 EGBDRO Cc1c(NC(=O)CC[N@@H+]2C[C@@H](C)S[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000072769747 454337799 /nfs/dbraw/zinc/33/77/99/454337799.db2.gz ZWDFJISDBFEXGW-TXEJJXNPSA-N 1 0 337.445 3.058 20 5 EGBDRO C[C@H]([NH2+]C[C@@]1(O)CCOC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000090850242 454346076 /nfs/dbraw/zinc/34/60/76/454346076.db2.gz DHXOVIZHLLVNTC-SJCJKPOMSA-N 1 0 348.424 3.125 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1CNC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000120929720 454366003 /nfs/dbraw/zinc/36/60/03/454366003.db2.gz BAFKSBRRVKFVBR-UHFFFAOYSA-N 1 0 335.448 3.392 20 5 EGBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)NCc1ccc(F)cc1 ZINC000079309382 454396265 /nfs/dbraw/zinc/39/62/65/454396265.db2.gz JDVMURLXFGWSTK-QWHCGFSZSA-N 1 0 345.374 3.089 20 5 EGBDRO O=[N+]([O-])c1c(NC2CC[NH+](CC3CCCC3)CC2)nc2sccn21 ZINC000063282664 454400725 /nfs/dbraw/zinc/40/07/25/454400725.db2.gz PRKJHNNECZDARD-UHFFFAOYSA-N 1 0 349.460 3.371 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@@H]1CCC[C@H](C)C1 ZINC000073618481 454458608 /nfs/dbraw/zinc/45/86/08/454458608.db2.gz VEFKNUPPZXBDNP-QWHCGFSZSA-N 1 0 335.404 3.052 20 5 EGBDRO Cc1noc([C@H]2CCC[N@H+](C/C=C/c3ccccc3[N+](=O)[O-])C2)n1 ZINC000091832315 454478544 /nfs/dbraw/zinc/47/85/44/454478544.db2.gz FCNOMNCONLJIFK-SZTZYQKNSA-N 1 0 328.372 3.179 20 5 EGBDRO CC(C)C[N@H+](CC(N)=O)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000092011140 454502992 /nfs/dbraw/zinc/50/29/92/454502992.db2.gz PFUUVHBSHOLDHP-UHFFFAOYSA-N 1 0 347.440 3.267 20 5 EGBDRO COc1ccc(-c2ccc(C[NH2+]C[C@H]3CCCO3)o2)c([N+](=O)[O-])c1 ZINC000102419580 454504178 /nfs/dbraw/zinc/50/41/78/454504178.db2.gz GKRDHIGZGVGMDT-CYBMUJFWSA-N 1 0 332.356 3.132 20 5 EGBDRO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000064995139 454522697 /nfs/dbraw/zinc/52/26/97/454522697.db2.gz BFKZMJUQSVRDLI-ZBFHGGJFSA-N 1 0 333.432 3.112 20 5 EGBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000065140893 454531835 /nfs/dbraw/zinc/53/18/35/454531835.db2.gz BTPOSXAGZKPHKR-WMLDXEAASA-N 1 0 339.395 3.160 20 5 EGBDRO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000134654449 454575288 /nfs/dbraw/zinc/57/52/88/454575288.db2.gz FNENVKDSZVAWBC-UKRRQHHQSA-N 1 0 349.431 3.472 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000104675375 454593457 /nfs/dbraw/zinc/59/34/57/454593457.db2.gz AYTLWQWMHAQCLR-CQSZACIVSA-N 1 0 344.415 3.485 20 5 EGBDRO CCOc1cc(N2CC[C@H](C[NH+]3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000092657732 454602992 /nfs/dbraw/zinc/60/29/92/454602992.db2.gz IRKQYMRPUQHOFU-OAHLLOKOSA-N 1 0 333.432 3.306 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000092759087 454627727 /nfs/dbraw/zinc/62/77/27/454627727.db2.gz RDSWNLREQCKECW-CVEARBPZSA-N 1 0 345.443 3.076 20 5 EGBDRO C[C@H]1C[NH+](CCCNc2ccc3ncccc3c2[N+](=O)[O-])C[C@H](C)O1 ZINC000051649979 454633990 /nfs/dbraw/zinc/63/39/90/454633990.db2.gz WSQQXCSBHSILFZ-KBPBESRZSA-N 1 0 344.415 3.054 20 5 EGBDRO CC1CC[NH+](CCCCNc2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000052281773 454665968 /nfs/dbraw/zinc/66/59/68/454665968.db2.gz LGNGKMOKCPFYGM-UHFFFAOYSA-N 1 0 337.449 3.228 20 5 EGBDRO CC[C@@H]1C[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCS1 ZINC000093501934 454719007 /nfs/dbraw/zinc/71/90/07/454719007.db2.gz BURZQSQJVACOHM-MRXNPFEDSA-N 1 0 346.456 3.323 20 5 EGBDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000161987033 454743069 /nfs/dbraw/zinc/74/30/69/454743069.db2.gz CWFKIZZLNVFUTR-OAHLLOKOSA-N 1 0 333.432 3.288 20 5 EGBDRO C[C@H](O)[C@@H]1CCC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000136844885 454758888 /nfs/dbraw/zinc/75/88/88/454758888.db2.gz IZVBJMLNHMWISC-DZGCQCFKSA-N 1 0 330.384 3.448 20 5 EGBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000153244317 454774912 /nfs/dbraw/zinc/77/49/12/454774912.db2.gz UIDZSPWBKOEEPF-FPMFFAJLSA-N 1 0 328.372 3.438 20 5 EGBDRO COCc1cc([N+](=O)[O-])ccc1N1CCC(CCC[NH+](C)C)CC1 ZINC000162722684 454796592 /nfs/dbraw/zinc/79/65/92/454796592.db2.gz JRPCMLKXTGYXLR-UHFFFAOYSA-N 1 0 335.448 3.299 20 5 EGBDRO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000144761120 454850421 /nfs/dbraw/zinc/85/04/21/454850421.db2.gz MISMKMAVYPCVOG-GDBMZVCRSA-N 1 0 333.432 3.112 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000164191196 454876633 /nfs/dbraw/zinc/87/66/33/454876633.db2.gz JZSNSRQXCHLLBL-CQSZACIVSA-N 1 0 334.420 3.003 20 5 EGBDRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000178161388 454939579 /nfs/dbraw/zinc/93/95/79/454939579.db2.gz RCJFZSHDSCCIPA-ZWNOBZJWSA-N 1 0 333.413 3.057 20 5 EGBDRO Cc1ccc(C(=O)NCC[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1F ZINC000178642067 454966283 /nfs/dbraw/zinc/96/62/83/454966283.db2.gz IMMZDXBFPCSVDH-ZDUSSCGKSA-N 1 0 345.374 3.123 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)cnc1NC1CC[NH+](Cc2ccncc2)CC1 ZINC000178833836 454982449 /nfs/dbraw/zinc/98/24/49/454982449.db2.gz MYIZMWKZFQCKCP-UHFFFAOYSA-N 1 0 347.806 3.115 20 5 EGBDRO CC(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000155646624 455026485 /nfs/dbraw/zinc/02/64/85/455026485.db2.gz JYCRNUCGQCVHPR-MRXNPFEDSA-N 1 0 333.432 3.066 20 5 EGBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2cn(C)nc2C)cc1[N+](=O)[O-] ZINC000179419469 455046196 /nfs/dbraw/zinc/04/61/96/455046196.db2.gz KJWFRNLLSRNFTI-NEPJUHHUSA-N 1 0 332.404 3.447 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000116474257 455058025 /nfs/dbraw/zinc/05/80/25/455058025.db2.gz SQUCQODLWUBROR-OAHLLOKOSA-N 1 0 336.436 3.391 20 5 EGBDRO CC(C)c1ccc(C[NH+]2CCC(NC(=O)C3CC3)CC2)cc1[N+](=O)[O-] ZINC000179913590 455098048 /nfs/dbraw/zinc/09/80/48/455098048.db2.gz BUQBRQNLZBHPJX-UHFFFAOYSA-N 1 0 345.443 3.209 20 5 EGBDRO CC[N@H+](Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-])C(C)C ZINC000179912655 455098353 /nfs/dbraw/zinc/09/83/53/455098353.db2.gz KLCJNDAYYORULY-UHFFFAOYSA-N 1 0 332.347 3.478 20 5 EGBDRO C[C@H]([NH2+]CC(=O)N[C@@H]1CCC[C@H](C)[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000180427490 455168399 /nfs/dbraw/zinc/16/83/99/455168399.db2.gz YDKXTEVVEKPUPH-QDEZUTFSSA-N 1 0 333.432 3.186 20 5 EGBDRO CC(=O)c1ccc(OCC[N@@H+](C)Cc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000189327811 455177045 /nfs/dbraw/zinc/17/70/45/455177045.db2.gz JTLGJJQDUYYAFG-UHFFFAOYSA-N 1 0 346.358 3.447 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1Cc2ccccc2C[C@@H]1C ZINC000173531786 455301983 /nfs/dbraw/zinc/30/19/83/455301983.db2.gz APNYBNQPZAHCOU-AWEZNQCLSA-N 1 0 339.395 3.289 20 5 EGBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)cc1[N+](=O)[O-] ZINC000245510508 455318191 /nfs/dbraw/zinc/31/81/91/455318191.db2.gz WJTAXYZHMRESAC-XYZKALLWSA-N 1 0 334.416 3.458 20 5 EGBDRO CC[NH+](CC)[C@H](CNC(=O)c1cc(C)ccc1[N+](=O)[O-])CC(C)C ZINC000173707280 455328963 /nfs/dbraw/zinc/32/89/63/455328963.db2.gz JZZWVQHHDSXDGL-HNNXBMFYSA-N 1 0 335.448 3.390 20 5 EGBDRO C[C@H](NC(=O)c1ccc(F)cc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181631532 455364845 /nfs/dbraw/zinc/36/48/45/455364845.db2.gz QERZNVDRTJYZNI-STQMWFEESA-N 1 0 349.406 3.117 20 5 EGBDRO CC(C)[NH+](CCNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)C(C)C ZINC000184770265 455444862 /nfs/dbraw/zinc/44/48/62/455444862.db2.gz LLLSRBSYMYTXJV-CYBMUJFWSA-N 1 0 339.411 3.072 20 5 EGBDRO Cc1ccccc1[C@@H](C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000182176203 455454080 /nfs/dbraw/zinc/45/40/80/455454080.db2.gz ZHIUBRIDXQVELS-CQSZACIVSA-N 1 0 348.424 3.028 20 5 EGBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H]([NH+](CC)CC)C1 ZINC000184830505 455455262 /nfs/dbraw/zinc/45/52/62/455455262.db2.gz ULNLBLSZRHXGLA-FUHWJXTLSA-N 1 0 347.459 3.106 20 5 EGBDRO C[C@H](c1ccc(F)cc1)[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182199283 455459413 /nfs/dbraw/zinc/45/94/13/455459413.db2.gz KMVAIAXBMYNGEP-CJNGLKHVSA-N 1 0 348.374 3.167 20 5 EGBDRO C[C@@H](c1ccccc1F)[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182215382 455463495 /nfs/dbraw/zinc/46/34/95/455463495.db2.gz LDGIPJPNYFIIRD-KBPBESRZSA-N 1 0 348.374 3.167 20 5 EGBDRO CC[C@@H](C)C[N@H+](CC)CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000160539485 455471837 /nfs/dbraw/zinc/47/18/37/455471837.db2.gz ALPBGBFUSNBOAG-CYBMUJFWSA-N 1 0 337.420 3.300 20 5 EGBDRO Cc1ccccc1C[C@H](CO)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000191561170 455496712 /nfs/dbraw/zinc/49/67/12/455496712.db2.gz UJVAIPKAGBIKEN-MAUKXSAKSA-N 1 0 328.412 3.466 20 5 EGBDRO C[C@@H](O)[C@@](C)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000191711899 455512015 /nfs/dbraw/zinc/51/20/15/455512015.db2.gz RAXNKPOYHDYZGM-DNVCBOLYSA-N 1 0 328.412 3.314 20 5 EGBDRO CC(C)([NH2+]C[C@@H](O)c1c(F)cccc1F)c1ccccc1[N+](=O)[O-] ZINC000292241873 455605989 /nfs/dbraw/zinc/60/59/89/455605989.db2.gz WWLGRKFJJOHUHX-OAHLLOKOSA-N 1 0 336.338 3.431 20 5 EGBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@@H]1OCCc2sccc21 ZINC000292282611 455617884 /nfs/dbraw/zinc/61/78/84/455617884.db2.gz BWORFWSHODJLFO-PXAZEXFGSA-N 1 0 332.425 3.491 20 5 EGBDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000284050668 455629832 /nfs/dbraw/zinc/62/98/32/455629832.db2.gz PUBNGWJVFYOBMG-NSHDSACASA-N 1 0 340.811 3.054 20 5 EGBDRO C[N@H+](Cc1ccccc1)[C@H](CNc1ncc([N+](=O)[O-])s1)C1CC1 ZINC000192537855 455638331 /nfs/dbraw/zinc/63/83/31/455638331.db2.gz BZMOWACDYPCSNS-CQSZACIVSA-N 1 0 332.429 3.374 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@@H](O)c1ccc(F)cc1)CCC2 ZINC000192637335 455658658 /nfs/dbraw/zinc/65/86/58/455658658.db2.gz BBMOUNRPOLVFEP-ZWKOTPCHSA-N 1 0 330.359 3.435 20 5 EGBDRO CCOc1ccc(NC(=O)C[NH+](C2CCC2)C2CCC2)c([N+](=O)[O-])c1 ZINC000292506240 455681731 /nfs/dbraw/zinc/68/17/31/455681731.db2.gz UZOMATQSHCKOJT-UHFFFAOYSA-N 1 0 347.415 3.339 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@@H]1CCCC[C@H]1C ZINC000192799732 455696451 /nfs/dbraw/zinc/69/64/51/455696451.db2.gz OXFRBJUZKSQTAM-CZUORRHYSA-N 1 0 349.431 3.443 20 5 EGBDRO CCC[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)CC(C)(C)O ZINC000268504087 455700978 /nfs/dbraw/zinc/70/09/78/455700978.db2.gz AXVBVJQAAWQFAI-UHFFFAOYSA-N 1 0 347.415 3.275 20 5 EGBDRO C[C@@H](c1ccccc1F)[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248373756 455708645 /nfs/dbraw/zinc/70/86/45/455708645.db2.gz LDGIPJPNYFIIRD-UONOGXRCSA-N 1 0 348.374 3.167 20 5 EGBDRO C[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000248436793 455715453 /nfs/dbraw/zinc/71/54/53/455715453.db2.gz AXXQOTVLLQDCLJ-OGWOLHLISA-N 1 0 342.395 3.028 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@@H](CO)Cc1ccccc1)CCC2 ZINC000193302467 455752259 /nfs/dbraw/zinc/75/22/59/455752259.db2.gz IVLKWWPGQTTYRB-APWZRJJASA-N 1 0 326.396 3.165 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@@H]1[C@@H]1COCC[C@@]1(C)O ZINC000284904711 455760355 /nfs/dbraw/zinc/76/03/55/455760355.db2.gz TZNBPPBUULQAKA-WQANXHIZSA-N 1 0 348.443 3.216 20 5 EGBDRO O=C1CCc2cc([N+](=O)[O-])c(NCCC[NH2+]C3CCCCC3)cc2N1 ZINC000193830802 455781955 /nfs/dbraw/zinc/78/19/55/455781955.db2.gz CMKFJSXKFDXFBA-UHFFFAOYSA-N 1 0 346.431 3.204 20 5 EGBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cc(F)cc2c1OCOC2 ZINC000285163766 455798686 /nfs/dbraw/zinc/79/86/86/455798686.db2.gz ASYHMOFQUFJCCB-UHFFFAOYSA-N 1 0 346.358 3.275 20 5 EGBDRO O=[N+]([O-])c1c(NC2CC[NH+](CC3CC3)CC2)ccc2ncccc21 ZINC000194090232 455800873 /nfs/dbraw/zinc/80/08/73/455800873.db2.gz MSFCNZIFLSZDIH-UHFFFAOYSA-N 1 0 326.400 3.429 20 5 EGBDRO Cc1cnn(CCCCC[N@@H+](C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000285443957 455846163 /nfs/dbraw/zinc/84/61/63/455846163.db2.gz XTJOLKHFOZICOT-UHFFFAOYSA-N 1 0 330.432 3.445 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000194477195 455847613 /nfs/dbraw/zinc/84/76/13/455847613.db2.gz KAZCBQIVLZCRMW-UGSOOPFHSA-N 1 0 333.432 3.144 20 5 EGBDRO Cc1ccc(C(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000187180077 455877549 /nfs/dbraw/zinc/87/75/49/455877549.db2.gz CLDZPFTUYNKENE-KBXCAEBGSA-N 1 0 341.411 3.324 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cnc([C@@H]3CCCO3)s2)cc1 ZINC000270178047 455894922 /nfs/dbraw/zinc/89/49/22/455894922.db2.gz FBDIGSJZMMFSMH-HNNXBMFYSA-N 1 0 333.413 3.235 20 5 EGBDRO CS[C@@H]1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000296319814 455908475 /nfs/dbraw/zinc/90/84/75/455908475.db2.gz OSXFOVWGQKXUDX-CQSZACIVSA-N 1 0 333.413 3.230 20 5 EGBDRO COc1cc(NC[C@@H]2[NH2+]CCc3ccccc32)c(F)cc1[N+](=O)[O-] ZINC000261606325 455911350 /nfs/dbraw/zinc/91/13/50/455911350.db2.gz CUHCECJWHHYKHM-HNNXBMFYSA-N 1 0 331.347 3.041 20 5 EGBDRO COc1cc(C[NH2+][C@@H](C)C2CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272391957 455935965 /nfs/dbraw/zinc/93/59/65/455935965.db2.gz IZRHJYRKMFKSPL-VIFPVBQESA-N 1 0 330.331 3.135 20 5 EGBDRO Nc1ccc(NC2CC[NH+](CCc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000285994484 455955982 /nfs/dbraw/zinc/95/59/82/455955982.db2.gz CZDMGQNWKQDFCF-UHFFFAOYSA-N 1 0 340.427 3.296 20 5 EGBDRO CCCN1Cc2cccc(NC(=O)c3cc([O-])cc([N+](=O)[O-])c3)c2C1 ZINC000272492860 455969687 /nfs/dbraw/zinc/96/96/87/455969687.db2.gz HNCZTXGKKWYSLW-UHFFFAOYSA-N 1 0 341.367 3.278 20 5 EGBDRO CN(CC1([NH+](C)C)CCC1)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000188058167 455988860 /nfs/dbraw/zinc/98/88/60/455988860.db2.gz CDLAEIDFDAHZPD-UHFFFAOYSA-N 1 0 347.440 3.366 20 5 EGBDRO COC(=O)c1csc([C@@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)c1 ZINC000286227913 456004363 /nfs/dbraw/zinc/00/43/63/456004363.db2.gz SRJSZSYKLAQFMF-LLVKDONJSA-N 1 0 334.397 3.336 20 5 EGBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)NCCc1cccs1 ZINC000296829462 456048014 /nfs/dbraw/zinc/04/80/14/456048014.db2.gz WJHVWXWFBWDAFJ-QWHCGFSZSA-N 1 0 347.440 3.054 20 5 EGBDRO O=[N+]([O-])c1ccc(C[N@@H+](C[C@H](O)c2ccccc2F)C2CC2)cc1 ZINC000270875385 456057501 /nfs/dbraw/zinc/05/75/01/456057501.db2.gz KJBCSKORJMMCOX-SFHVURJKSA-N 1 0 330.359 3.432 20 5 EGBDRO CCC(=O)c1ccc(N2CC[C@@H](C3CC[NH+](C)CC3)C2)c([N+](=O)[O-])c1 ZINC000280812376 456058029 /nfs/dbraw/zinc/05/80/29/456058029.db2.gz XEMKGLDYNRAYCE-MRXNPFEDSA-N 1 0 345.443 3.356 20 5 EGBDRO CCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000301375851 456102711 /nfs/dbraw/zinc/10/27/11/456102711.db2.gz VQWKNKUFEUHTCI-UHFFFAOYSA-N 1 0 329.347 3.483 20 5 EGBDRO COc1cc(N2CCC[N@H+](Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000301380868 456102735 /nfs/dbraw/zinc/10/27/35/456102735.db2.gz ZABCDRBIGNVGPJ-UHFFFAOYSA-N 1 0 341.411 3.316 20 5 EGBDRO COCC[NH+]1CCC(Nc2cc(C)c([N+](=O)[O-])cc2Cl)CC1 ZINC000301433288 456115111 /nfs/dbraw/zinc/11/51/11/456115111.db2.gz HTQCAZWQGUCZCR-UHFFFAOYSA-N 1 0 327.812 3.079 20 5 EGBDRO C[N@H+](CCNc1ncc([N+](=O)[O-])cc1Cl)Cc1ccc(F)cc1 ZINC000301553712 456145256 /nfs/dbraw/zinc/14/52/56/456145256.db2.gz RRWWUBHFJDDBFM-UHFFFAOYSA-N 1 0 338.770 3.326 20 5 EGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)Cn1ccnc1 ZINC000271198953 456168191 /nfs/dbraw/zinc/16/81/91/456168191.db2.gz YUNSZXFXPHUKPC-UONOGXRCSA-N 1 0 334.445 3.340 20 5 EGBDRO COc1cc(CN2CC(C)(C)[C@@H]2[C@H]2CCCO2)c([N+](=O)[O-])cc1F ZINC000289886995 456168196 /nfs/dbraw/zinc/16/81/96/456168196.db2.gz SBUGDJXLRAFDHQ-ZBFHGGJFSA-N 1 0 338.379 3.132 20 5 EGBDRO COc1cc(CN2CC(C)(C)[C@@H]2[C@@H]2CCCO2)c([N+](=O)[O-])cc1F ZINC000289886993 456169066 /nfs/dbraw/zinc/16/90/66/456169066.db2.gz SBUGDJXLRAFDHQ-HOCLYGCPSA-N 1 0 338.379 3.132 20 5 EGBDRO COc1cc(N[C@H]2CC[N@H+](CC3CCCC3)C2)c([N+](=O)[O-])cc1F ZINC000301660109 456177446 /nfs/dbraw/zinc/17/74/46/456177446.db2.gz XAHFYWINBMSVPM-ZDUSSCGKSA-N 1 0 337.395 3.419 20 5 EGBDRO C[N@@H+]1CCC[C@H]2CN(c3ccnc4ccc([N+](=O)[O-])cc43)CC[C@H]21 ZINC000601130633 460722517 /nfs/dbraw/zinc/72/25/17/460722517.db2.gz NDQHDBLGZCGAPN-SUMWQHHRSA-N 1 0 326.400 3.064 20 5 EGBDRO C[NH+](C)[C@@H](CNc1ncc(Cl)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000301745721 456204852 /nfs/dbraw/zinc/20/48/52/456204852.db2.gz ONPLVBXVFURYHB-CQSZACIVSA-N 1 0 334.807 3.228 20 5 EGBDRO CN(C(=O)[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1)c1ccccc1 ZINC000281340022 456206906 /nfs/dbraw/zinc/20/69/06/456206906.db2.gz ZERWVCVIPAVZKP-INIZCTEOSA-N 1 0 339.395 3.080 20 5 EGBDRO CCOc1cc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)ccc1[N+](=O)[O-] ZINC000301789254 456214751 /nfs/dbraw/zinc/21/47/51/456214751.db2.gz PZXCQOPXTNYSLY-YOEHRIQHSA-N 1 0 345.443 3.447 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCC[C@H]2C[NH+]2CCCC2)c2ccncc21 ZINC000189081671 456220876 /nfs/dbraw/zinc/22/08/76/456220876.db2.gz FZOPQPPVOZUMAU-AWEZNQCLSA-N 1 0 326.400 3.208 20 5 EGBDRO O=[N+]([O-])c1cncc(Br)c1NCCC[NH+]1CCCCC1 ZINC000301876397 456239227 /nfs/dbraw/zinc/23/92/27/456239227.db2.gz IUTWJJAWZRTJEQ-UHFFFAOYSA-N 1 0 343.225 3.040 20 5 EGBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000297558180 456251699 /nfs/dbraw/zinc/25/16/99/456251699.db2.gz QHOBYVKRJUPMAH-QZTJIDSGSA-N 1 0 341.411 3.025 20 5 EGBDRO CC[C@@H]1CN([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCCO1 ZINC000281566630 456266797 /nfs/dbraw/zinc/26/67/97/456266797.db2.gz YQPOKKHFIUGZCP-IUODEOHRSA-N 1 0 346.387 3.207 20 5 EGBDRO CC[C@@H]1CN(c2cc(C)c([N+](=O)[O-])cn2)CC[N@@H+]1Cc1ccccc1 ZINC000302135966 456296865 /nfs/dbraw/zinc/29/68/65/456296865.db2.gz BCOPAGQZQMTXSJ-QGZVFWFLSA-N 1 0 340.427 3.399 20 5 EGBDRO Cc1cccc(N2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c1[N+](=O)[O-] ZINC000302519037 456353572 /nfs/dbraw/zinc/35/35/72/456353572.db2.gz WNXWYZJEMAARAY-HZPDHXFCSA-N 1 0 347.459 3.229 20 5 EGBDRO C[C@@]1(CCCO)CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000290611072 456383408 /nfs/dbraw/zinc/38/34/08/456383408.db2.gz WOYUVLLTGSNFEQ-INIZCTEOSA-N 1 0 344.358 3.323 20 5 EGBDRO C[C@H]([NH2+][C@H]1CCC[C@@H]1C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000282178764 456434544 /nfs/dbraw/zinc/43/45/44/456434544.db2.gz VPGPTHDDIHMDIN-KWBADKCTSA-N 1 0 325.796 3.353 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000340494815 456492085 /nfs/dbraw/zinc/49/20/85/456492085.db2.gz ADJNFFFITGTZBS-INMHGKMJSA-N 1 0 345.443 3.381 20 5 EGBDRO CCN(CCC[NH+]1CCCC1)C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000276496566 456497591 /nfs/dbraw/zinc/49/75/91/456497591.db2.gz UBBNUWMTDBQIFM-UHFFFAOYSA-N 1 0 339.823 3.196 20 5 EGBDRO CC1(C)CC(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC(C)(C)[NH2+]1 ZINC000298604120 456499041 /nfs/dbraw/zinc/49/90/41/456499041.db2.gz OCQXAVWNMGTDAZ-UHFFFAOYSA-N 1 0 345.399 3.380 20 5 EGBDRO CO[C@@H]1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@H](C)C1 ZINC000282421270 456508228 /nfs/dbraw/zinc/50/82/28/456508228.db2.gz QULCZOBOFWXZSF-CZUORRHYSA-N 1 0 345.399 3.292 20 5 EGBDRO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCCC3(CCC3)C2)cccc1[N+](=O)[O-] ZINC000348192804 456527941 /nfs/dbraw/zinc/52/79/41/456527941.db2.gz JFVYYKSMXIAKFK-AWEZNQCLSA-N 1 0 331.416 3.496 20 5 EGBDRO C[N@H+](CCCNC(=O)c1csc([N+](=O)[O-])c1)C1CCCCC1 ZINC000298789530 456540371 /nfs/dbraw/zinc/54/03/71/456540371.db2.gz ZZHWHVTXXCSWJK-UHFFFAOYSA-N 1 0 325.434 3.041 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H]1CCO[C@@H]1c1cccnc1 ZINC000343383983 456577634 /nfs/dbraw/zinc/57/76/34/456577634.db2.gz AMWBGFZZBJIYQS-HYXJCQPJSA-N 1 0 325.368 3.123 20 5 EGBDRO CCOc1cc(C[N@@H+]2CCC[C@@H](c3nc(C)no3)C2)ccc1[N+](=O)[O-] ZINC000276859351 456601483 /nfs/dbraw/zinc/60/14/83/456601483.db2.gz GBUMCBOCYWVQSE-CQSZACIVSA-N 1 0 346.387 3.065 20 5 EGBDRO O=C(Nc1ccccc1)N1CC[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000282881760 456653843 /nfs/dbraw/zinc/65/38/43/456653843.db2.gz CSEKEDGMNXJQEN-AWEZNQCLSA-N 1 0 346.412 3.052 20 5 EGBDRO COc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000299452747 456698487 /nfs/dbraw/zinc/69/84/87/456698487.db2.gz ZTXUJCALROPAIN-OLZOCXBDSA-N 1 0 343.383 3.281 20 5 EGBDRO COc1ccc(C[NH2+][C@@H](C)[C@@H]2OCCc3sccc32)cc1[N+](=O)[O-] ZINC000291648491 456706649 /nfs/dbraw/zinc/70/66/49/456706649.db2.gz CMAQGNOFFXVJKB-GTNSWQLSSA-N 1 0 348.424 3.457 20 5 EGBDRO CC[C@H](c1ccncc1)[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000299501909 456712968 /nfs/dbraw/zinc/71/29/68/456712968.db2.gz BPQLBTHMGULANY-MRXNPFEDSA-N 1 0 342.399 3.402 20 5 EGBDRO Cn1ccnc1[C@@H]([NH2+]C[C@H]1CC=CCC1)c1cccc([N+](=O)[O-])c1 ZINC000353502001 456718931 /nfs/dbraw/zinc/71/89/31/456718931.db2.gz JZYGLQSKMBAYDU-YOEHRIQHSA-N 1 0 326.400 3.364 20 5 EGBDRO COc1ccc(C[NH2+][C@@H]2CCN(c3ccccc3F)C2)cc1[N+](=O)[O-] ZINC000291761219 456748110 /nfs/dbraw/zinc/74/81/10/456748110.db2.gz RLPRDWLDAHWYDH-CQSZACIVSA-N 1 0 345.374 3.111 20 5 EGBDRO COCC1(CNc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)CCOCC1 ZINC000291776147 456754359 /nfs/dbraw/zinc/75/43/59/456754359.db2.gz HTMNVIOBCFRDKZ-UHFFFAOYSA-N 1 0 345.399 3.307 20 5 EGBDRO COCC[C@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C(C)(C)C ZINC000338352363 456782909 /nfs/dbraw/zinc/78/29/09/456782909.db2.gz KMEPXAHQMWCHRC-AWEZNQCLSA-N 1 0 348.403 3.186 20 5 EGBDRO Cc1cc(N[C@H](C)CC[NH+](C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301109098 456799826 /nfs/dbraw/zinc/79/98/26/456799826.db2.gz MKMMVYSTUCGXCS-GFCCVEGCSA-N 1 0 329.404 3.112 20 5 EGBDRO Cc1ccc(C(C)(C)[NH2+]CC(=O)Nc2c(C)cccc2[N+](=O)[O-])cn1 ZINC000353643427 456824334 /nfs/dbraw/zinc/82/43/34/456824334.db2.gz WKXJEAVEBKVZFI-UHFFFAOYSA-N 1 0 342.399 3.070 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(CN3C[C@@H]4[NH2+]CCC[C@H]4C3)o2)cc1 ZINC000353688365 456855305 /nfs/dbraw/zinc/85/53/05/456855305.db2.gz OFEVFFHXTPQCSQ-YOEHRIQHSA-N 1 0 327.384 3.039 20 5 EGBDRO C[N@@H+]1CCC[C@]2(CCN(c3ccnc4c3cccc4[N+](=O)[O-])C2)C1 ZINC000338746761 456856101 /nfs/dbraw/zinc/85/61/01/456856101.db2.gz QZABXFICKAHQCT-SFHVURJKSA-N 1 0 326.400 3.065 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1ccc(CN2C[C@@H]3CCC[NH2+][C@@H]3C2)o1 ZINC000353717854 456870592 /nfs/dbraw/zinc/87/05/92/456870592.db2.gz ZETLCCWCDKWBDW-XJKSGUPXSA-N 1 0 327.384 3.039 20 5 EGBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccc([S@@](C)=O)cc1 ZINC000338957139 456875817 /nfs/dbraw/zinc/87/58/17/456875817.db2.gz DQBKDSVZJYRBAJ-HSZRJFAPSA-N 1 0 332.425 3.007 20 5 EGBDRO COc1ccc2c(c1)OCCN(Cc1ccc(C)c([N+](=O)[O-])c1)C2 ZINC000339001531 456894281 /nfs/dbraw/zinc/89/42/81/456894281.db2.gz NKJZLNAGOPGDPE-UHFFFAOYSA-N 1 0 328.368 3.306 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCNc1cccc(C)n1 ZINC000345042815 456907080 /nfs/dbraw/zinc/90/70/80/456907080.db2.gz BRHHCVJFDJMFFB-SDNWHVSQSA-N 1 0 326.400 3.403 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@]1(N(C)C)CCSC1 ZINC000345043590 456908201 /nfs/dbraw/zinc/90/82/01/456908201.db2.gz IXXBOIYSDXMWJV-RKCSUWQLSA-N 1 0 335.473 3.025 20 5 EGBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)Nc1ncnc2sc([N+](=O)[O-])cc21 ZINC000341839819 456966259 /nfs/dbraw/zinc/96/62/59/456966259.db2.gz GXIQSUNFIZGCGY-GHMZBOCLSA-N 1 0 335.433 3.132 20 5 EGBDRO C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccccc1C(F)(F)F ZINC000342000791 457052283 /nfs/dbraw/zinc/05/22/83/457052283.db2.gz ZJJWARVXFCNRKN-SNVBAGLBSA-N 1 0 328.294 3.161 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[NH+](CC(C)C)CC1 ZINC000331052888 457125715 /nfs/dbraw/zinc/12/57/15/457125715.db2.gz JCWWIBWYUPQGJR-UHFFFAOYSA-N 1 0 334.420 3.017 20 5 EGBDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000356805232 457175542 /nfs/dbraw/zinc/17/55/42/457175542.db2.gz LMAWFEUHZWHXAS-SNVBAGLBSA-N 1 0 347.337 3.072 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000359990498 457190010 /nfs/dbraw/zinc/19/00/10/457190010.db2.gz DFRGBNLJRYKVOR-UHFFFAOYSA-N 1 0 345.443 3.240 20 5 EGBDRO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCC[N@@H+]2CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000331563631 457207598 /nfs/dbraw/zinc/20/75/98/457207598.db2.gz JGFRRNGAYYUPRG-FCLVOEFKSA-N 1 0 348.443 3.235 20 5 EGBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C[C@H]1C ZINC000354435055 457220620 /nfs/dbraw/zinc/22/06/20/457220620.db2.gz QVIKKBPWTWXOPO-OLZOCXBDSA-N 1 0 344.415 3.021 20 5 EGBDRO C[C@@H]1CCC[C@@H](C[NH+]2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000339740786 457243397 /nfs/dbraw/zinc/24/33/97/457243397.db2.gz LFISQNKDRHZIFO-HZPDHXFCSA-N 1 0 345.443 3.179 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(CN(C3CC3)[C@H]3CC[NH2+]C3)o2)cc1 ZINC000347164759 457264651 /nfs/dbraw/zinc/26/46/51/457264651.db2.gz JHZHGISGCZKTOF-INIZCTEOSA-N 1 0 327.384 3.181 20 5 EGBDRO C[N@@H+]1CC[C@H]2CCN(c3ccc([N+](=O)[O-])c(C(F)(F)F)c3)[C@@H]2C1 ZINC000352085012 457336643 /nfs/dbraw/zinc/33/66/43/457336643.db2.gz XABUGXFFBHBGPN-IINYFYTJSA-N 1 0 329.322 3.144 20 5 EGBDRO CCCO[C@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000373960362 457416562 /nfs/dbraw/zinc/41/65/62/457416562.db2.gz CRPJVURSQLLMCY-KRWDZBQOSA-N 1 0 349.431 3.205 20 5 EGBDRO O=[N+]([O-])c1ccc(NCC2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000357322106 457445577 /nfs/dbraw/zinc/44/55/77/457445577.db2.gz RQPVPTGIGDFGEQ-UHFFFAOYSA-N 1 0 326.400 3.314 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CCCc3ccsc3)C2)nc1 ZINC000360970527 457477408 /nfs/dbraw/zinc/47/74/08/457477408.db2.gz RIXLCYJFWWKIBC-CQSZACIVSA-N 1 0 332.429 3.170 20 5 EGBDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000361151054 457614863 /nfs/dbraw/zinc/61/48/63/457614863.db2.gz CMEXHPXRVXFRQE-CHWSQXEVSA-N 1 0 346.456 3.243 20 5 EGBDRO Cc1noc(C2(C)CC[NH+](C/C=C/c3ccccc3[N+](=O)[O-])CC2)n1 ZINC000374726917 457695173 /nfs/dbraw/zinc/69/51/73/457695173.db2.gz QJYWVQKTZSUPHD-FNORWQNLSA-N 1 0 342.399 3.353 20 5 EGBDRO C[C@@H]([NH2+][C@H]1CC(=O)N(C)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000358083284 457774224 /nfs/dbraw/zinc/77/42/24/457774224.db2.gz KRIBHSQPOUQJLE-NEPJUHHUSA-N 1 0 345.424 3.205 20 5 EGBDRO COc1ccc(-c2ccc(C[N@@H+]3CC[C@H](C)[C@@H]3CO)o2)c([N+](=O)[O-])c1 ZINC000443857983 457816616 /nfs/dbraw/zinc/81/66/16/457816616.db2.gz VWOYMWGSXWJUFO-SJCJKPOMSA-N 1 0 346.383 3.066 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](CC(C)C)C1CC1 ZINC000411160325 457817114 /nfs/dbraw/zinc/81/71/14/457817114.db2.gz BTVUVKKZGVBQDV-UHFFFAOYSA-N 1 0 335.404 3.052 20 5 EGBDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000411174939 457820174 /nfs/dbraw/zinc/82/01/74/457820174.db2.gz BTKYGRRZYFDNMH-JCGIZDLHSA-N 1 0 345.443 3.079 20 5 EGBDRO Cc1cc([C@H]2CCC[N@@H+]2CCC(=O)Nc2ccc([N+](=O)[O-])cc2)on1 ZINC000411176257 457820745 /nfs/dbraw/zinc/82/07/45/457820745.db2.gz VUAMAZCILUUDHS-OAHLLOKOSA-N 1 0 344.371 3.057 20 5 EGBDRO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000411313501 457856185 /nfs/dbraw/zinc/85/61/85/457856185.db2.gz QBXJOMIUSHERLM-CHWSQXEVSA-N 1 0 335.404 3.052 20 5 EGBDRO CCC[C@H]([NH2+][C@@H]1CC(=O)N(C(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000358210822 457861859 /nfs/dbraw/zinc/86/18/59/457861859.db2.gz YCELANDIIOJGIM-ZBFHGGJFSA-N 1 0 333.432 3.425 20 5 EGBDRO O=C(CC[N@@H+]1CCC[C@H]1c1cccnc1)Nc1ccccc1[N+](=O)[O-] ZINC000411414187 457881135 /nfs/dbraw/zinc/88/11/35/457881135.db2.gz HSJGWWDEVYTJDO-INIZCTEOSA-N 1 0 340.383 3.156 20 5 EGBDRO CCOC(=O)c1cc(NC[C@H]2CCCC[N@@H+]2C2CC2)ccc1[N+](=O)[O-] ZINC000433790426 457887407 /nfs/dbraw/zinc/88/74/07/457887407.db2.gz XDBZMTWXZXQTJH-OAHLLOKOSA-N 1 0 347.415 3.200 20 5 EGBDRO CC[C@H]1CCCC[C@@H]1[N@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000444675660 457934948 /nfs/dbraw/zinc/93/49/48/457934948.db2.gz MIEQCYLPDPPYCL-YOEHRIQHSA-N 1 0 345.443 3.385 20 5 EGBDRO C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1COc2ccccc21 ZINC000444674021 457935874 /nfs/dbraw/zinc/93/58/74/457935874.db2.gz JHQMJLOCTDGXAK-RISCZKNCSA-N 1 0 338.367 3.125 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1ccc(CN2CC[C@@H]3[NH2+]CC[C@@H]3C2)o1 ZINC000427138856 457948517 /nfs/dbraw/zinc/94/85/17/457948517.db2.gz ZNULIDBAUYLQBF-CJNGLKHVSA-N 1 0 327.384 3.039 20 5 EGBDRO O=C1[C@@H]([N@@H+]2CCCC3(CCCC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000445839478 458098316 /nfs/dbraw/zinc/09/83/16/458098316.db2.gz BNCULPCKILBHHX-KRWDZBQOSA-N 1 0 343.427 3.356 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3CCC[C@H]3CCO)cs2)c1 ZINC000428472793 458154010 /nfs/dbraw/zinc/15/40/10/458154010.db2.gz JTQCMLGFXRPMEM-AWEZNQCLSA-N 1 0 333.413 3.065 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H](CO)CC(F)F)s2)cc1 ZINC000428643397 458182442 /nfs/dbraw/zinc/18/24/42/458182442.db2.gz QBIOKYBMUCWIQJ-LLVKDONJSA-N 1 0 342.367 3.429 20 5 EGBDRO Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000376080655 458187823 /nfs/dbraw/zinc/18/78/23/458187823.db2.gz JMOLSRSEZXXANP-HZPDHXFCSA-N 1 0 328.416 3.187 20 5 EGBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000429027557 458260929 /nfs/dbraw/zinc/26/09/29/458260929.db2.gz MLPHLMGIKXBACZ-IGCXYCKISA-N 1 0 337.851 3.410 20 5 EGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCc2cccc(F)c2)n1 ZINC000447510419 458301838 /nfs/dbraw/zinc/30/18/38/458301838.db2.gz PDMRXDFUHGPRGT-JKSUJKDBSA-N 1 0 332.379 3.246 20 5 EGBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCc2cccc(F)c2)n1 ZINC000447510416 458302048 /nfs/dbraw/zinc/30/20/48/458302048.db2.gz PDMRXDFUHGPRGT-HOTGVXAUSA-N 1 0 332.379 3.246 20 5 EGBDRO Cc1ccc(OCC[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000447508104 458302222 /nfs/dbraw/zinc/30/22/22/458302222.db2.gz BKGZJUSADILDMX-SJORKVTESA-N 1 0 344.415 3.252 20 5 EGBDRO COc1cc(NC[C@@H]2[N@H+](C)CCCC2(C)C)c(F)cc1[N+](=O)[O-] ZINC000447814898 458346341 /nfs/dbraw/zinc/34/63/41/458346341.db2.gz ATWFZYCZHFMPLO-HNNXBMFYSA-N 1 0 325.384 3.275 20 5 EGBDRO C[C@@H](CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC000429835090 458375871 /nfs/dbraw/zinc/37/58/71/458375871.db2.gz WNHHJDYMPACBPF-GJZGRUSLSA-N 1 0 347.459 3.109 20 5 EGBDRO C[C@@H](NC(=O)NC[C@H]1[N@H+](C)CCCC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000447991436 458375875 /nfs/dbraw/zinc/37/58/75/458375875.db2.gz UXUKWCSAKOAQAW-CZUORRHYSA-N 1 0 348.447 3.075 20 5 EGBDRO CCOc1cc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)ccc1O ZINC000459544244 458405466 /nfs/dbraw/zinc/40/54/66/458405466.db2.gz NIGWYGONFXRHMT-UHFFFAOYSA-N 1 0 330.384 3.374 20 5 EGBDRO COC(=O)COc1ccc(C[NH+](C2CCC2)C2CCC2)cc1[N+](=O)[O-] ZINC000430138608 458409422 /nfs/dbraw/zinc/40/94/22/458409422.db2.gz YWNCAJMIWPVLMD-UHFFFAOYSA-N 1 0 348.399 3.054 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1CN[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000430220461 458424228 /nfs/dbraw/zinc/42/42/28/458424228.db2.gz QDPCSQIURGGXOU-HOCLYGCPSA-N 1 0 347.459 3.346 20 5 EGBDRO CSc1ccc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000373238840 458440222 /nfs/dbraw/zinc/44/02/22/458440222.db2.gz AEBBFUWYLJOAPJ-UHFFFAOYSA-N 1 0 332.429 3.350 20 5 EGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423503485 458444821 /nfs/dbraw/zinc/44/48/21/458444821.db2.gz FURXPMBXXUEVJK-AYOQOUSVSA-N 1 0 339.439 3.261 20 5 EGBDRO CO[C@H]1C[C@@H]([NH2+]Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C12CCC2 ZINC000459738269 458462978 /nfs/dbraw/zinc/46/29/78/458462978.db2.gz AFSXDESBKJIOJX-CVEARBPZSA-N 1 0 343.383 3.297 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)[C@H]1COc2ccccc21 ZINC000373774485 458600070 /nfs/dbraw/zinc/60/00/70/458600070.db2.gz YAZGIATYXJFWKL-BLLLJJGKSA-N 1 0 328.368 3.258 20 5 EGBDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000438914164 458628892 /nfs/dbraw/zinc/62/88/92/458628892.db2.gz UDWKVLWCRZMMEI-QGZVFWFLSA-N 1 0 347.459 3.217 20 5 EGBDRO C[NH+](C)C1(CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)CCCC1 ZINC000462932892 458667471 /nfs/dbraw/zinc/66/74/71/458667471.db2.gz WHOKYHHIZIPNPW-UHFFFAOYSA-N 1 0 329.347 3.483 20 5 EGBDRO O=[N+]([O-])c1ccccc1CN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000471001114 458674416 /nfs/dbraw/zinc/67/44/16/458674416.db2.gz MHDKQRJZGZAYIG-KDURUIRLSA-N 1 0 337.423 3.159 20 5 EGBDRO C[C@H]1CN(C2CC2)C[C@H]1[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494436223 458676241 /nfs/dbraw/zinc/67/62/41/458676241.db2.gz PQTPQFXGGPTEEM-ZUZCIYMTSA-N 1 0 343.349 3.186 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCC[N@H+]2CC(C)C)c1 ZINC000439698213 458741645 /nfs/dbraw/zinc/74/16/45/458741645.db2.gz XGXIZXDVYCFCOG-OAHLLOKOSA-N 1 0 333.432 3.144 20 5 EGBDRO O=[N+]([O-])c1cnn(CC[N@H+](CCc2ccc(F)cc2)C2CCCC2)c1 ZINC000464873917 458787477 /nfs/dbraw/zinc/78/74/77/458787477.db2.gz AKVWEEOQGMJWEG-UHFFFAOYSA-N 1 0 346.406 3.418 20 5 EGBDRO O=[N+]([O-])c1cnn(CC[N@H+](CCc2cccc(F)c2)C2CCCC2)c1 ZINC000464883025 458789413 /nfs/dbraw/zinc/78/94/13/458789413.db2.gz BMYXXCRZDJXCKB-UHFFFAOYSA-N 1 0 346.406 3.418 20 5 EGBDRO C[N@@H+]1CC[C@H]2CCN(Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)[C@@H]2C1 ZINC000495087708 458797318 /nfs/dbraw/zinc/79/73/18/458797318.db2.gz KXWMKZNMUWQWEB-KBXCAEBGSA-N 1 0 341.411 3.381 20 5 EGBDRO C[C@@H]1C[N@H+](CCCNc2ccc([N+](=O)[O-])cc2Cl)CCCO1 ZINC000432858165 458801668 /nfs/dbraw/zinc/80/16/68/458801668.db2.gz HVJSFFRDWCMMKN-GFCCVEGCSA-N 1 0 327.812 3.161 20 5 EGBDRO Cc1ccccc1CCC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440351912 458807270 /nfs/dbraw/zinc/80/72/70/458807270.db2.gz BUJQUWGRTCEKLJ-QGZVFWFLSA-N 1 0 340.427 3.417 20 5 EGBDRO COC(=O)N1CCC[C@H]([C@H](C)[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000495555457 458882205 /nfs/dbraw/zinc/88/22/05/458882205.db2.gz FZHPTBDZDOPETD-MJBXVCDLSA-N 1 0 335.404 3.112 20 5 EGBDRO COC(=O)N1CCC[C@H]([C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000495559982 458883384 /nfs/dbraw/zinc/88/33/84/458883384.db2.gz PHTXXQSKOQYANS-NFAWXSAZSA-N 1 0 335.404 3.112 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]CCN1CC=CCC1 ZINC000475503332 458947576 /nfs/dbraw/zinc/94/75/76/458947576.db2.gz OYGZWNFFXQAGAR-WMZOPIPTSA-N 1 0 329.444 3.158 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000475563417 458951581 /nfs/dbraw/zinc/95/15/81/458951581.db2.gz FYTURDFJHODWBV-IUODEOHRSA-N 1 0 348.447 3.454 20 5 EGBDRO C[N@H+]1CC=C(CN[C@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)CC1 ZINC000519829769 459013531 /nfs/dbraw/zinc/01/35/31/459013531.db2.gz QOLARIQNPYBSSL-CQSZACIVSA-N 1 0 329.322 3.050 20 5 EGBDRO C[C@@H]([NH2+]Cc1cnn(CC(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000531990205 459014047 /nfs/dbraw/zinc/01/40/47/459014047.db2.gz NGQGHOVWMSLRST-SNVBAGLBSA-N 1 0 328.294 3.204 20 5 EGBDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000520311542 459048165 /nfs/dbraw/zinc/04/81/65/459048165.db2.gz OFYAXHDPPLCSBX-HNNXBMFYSA-N 1 0 347.459 3.154 20 5 EGBDRO Cc1cccc(NC(=O)C[C@@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000532485256 459096581 /nfs/dbraw/zinc/09/65/81/459096581.db2.gz AEAIYLVMRWRERP-OAHLLOKOSA-N 1 0 341.411 3.453 20 5 EGBDRO CC[C@H](C)[C@H]1CCCC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000532586161 459114035 /nfs/dbraw/zinc/11/40/35/459114035.db2.gz UIGIZDJOJUKWQD-WMLDXEAASA-N 1 0 333.432 3.458 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cccc(C4CC4)c3)CC2)cn1 ZINC000567602499 459131708 /nfs/dbraw/zinc/13/17/08/459131708.db2.gz ITNWIKFHYQLDTQ-UHFFFAOYSA-N 1 0 338.411 3.189 20 5 EGBDRO Cc1c(C[NH2+][C@@H](c2cccnc2)C(C)(C)CO)cccc1[N+](=O)[O-] ZINC000590601090 459157970 /nfs/dbraw/zinc/15/79/70/459157970.db2.gz OGROJJPEDWHAES-KRWDZBQOSA-N 1 0 329.400 3.148 20 5 EGBDRO O=[N+]([O-])c1ccc2oc(C[NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCCC4)nc2c1 ZINC000590726622 459196272 /nfs/dbraw/zinc/19/62/72/459196272.db2.gz CYFQVIADYARXQD-CSMYWGQOSA-N 1 0 343.383 3.173 20 5 EGBDRO COC[C@@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)c1cccc(OC)c1 ZINC000594968016 459200217 /nfs/dbraw/zinc/20/02/17/459200217.db2.gz CUQXLXYSQROXKC-QGZVFWFLSA-N 1 0 330.384 3.389 20 5 EGBDRO CO[C@@](C)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1)COCc1ccccc1 ZINC000594974959 459202338 /nfs/dbraw/zinc/20/23/38/459202338.db2.gz OWQRWKQJTZUPIV-IBGZPJMESA-N 1 0 344.411 3.306 20 5 EGBDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000558760240 459209703 /nfs/dbraw/zinc/20/97/03/459209703.db2.gz RABCCCXPAWGPGR-INIZCTEOSA-N 1 0 333.432 3.288 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@@H]1CCN1Cc1ccccc1 ZINC000594999210 459210381 /nfs/dbraw/zinc/21/03/81/459210381.db2.gz QLELKFRNXLGJMN-SMTIMMHKSA-N 1 0 337.423 3.472 20 5 EGBDRO COc1ccccc1OCC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595003339 459211561 /nfs/dbraw/zinc/21/15/61/459211561.db2.gz HKKRONDJDGBYCI-ZDUSSCGKSA-N 1 0 346.383 3.342 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H](CO)c1ccccc1 ZINC000595012681 459214859 /nfs/dbraw/zinc/21/48/59/459214859.db2.gz NNZLCAUBEZUFPO-UKRRQHHQSA-N 1 0 330.384 3.030 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H](O)CCc1ccccc1 ZINC000595034522 459223694 /nfs/dbraw/zinc/22/36/94/459223694.db2.gz WSJDYHPWSNFKLP-YOEHRIQHSA-N 1 0 344.411 3.248 20 5 EGBDRO CCC(CC)(C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC)C(=O)OC ZINC000595034490 459223788 /nfs/dbraw/zinc/22/37/88/459223788.db2.gz WCFVTNBAJFGNAL-GFCCVEGCSA-N 1 0 338.404 3.233 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H]1CCCCN1C1CC1 ZINC000595044123 459226664 /nfs/dbraw/zinc/22/66/64/459226664.db2.gz KZGCCGLJXRAJLY-XJKSGUPXSA-N 1 0 333.432 3.271 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCc1ccc2c[nH]nc2c1 ZINC000595051670 459229365 /nfs/dbraw/zinc/22/93/65/459229365.db2.gz UPCRYKBGZSFNAN-LBPRGKRZSA-N 1 0 340.383 3.373 20 5 EGBDRO CO[C@H](C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)C1CCCC1 ZINC000595095034 459243214 /nfs/dbraw/zinc/24/32/14/459243214.db2.gz OOIDQUGKMYYPLI-BZUAXINKSA-N 1 0 336.436 3.070 20 5 EGBDRO CO[C@@H](C[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000595095090 459243273 /nfs/dbraw/zinc/24/32/73/459243273.db2.gz PLGLGXGJXMMOSB-DYVFJYSZSA-N 1 0 349.431 3.107 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CC(=O)N(C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000595105129 459246686 /nfs/dbraw/zinc/24/66/86/459246686.db2.gz QMOAQIRKKZUIFJ-KBPBESRZSA-N 1 0 333.432 3.201 20 5 EGBDRO CC[C@@H]1[C@@H](C)CC[N@@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000481407411 459252752 /nfs/dbraw/zinc/25/27/52/459252752.db2.gz YPQAVFQMMTVUKU-GXFFZTMASA-N 1 0 325.796 3.307 20 5 EGBDRO Cc1ccc([C@@H](C)NC(=O)C[C@H]2[NH2+]Cc3ccccc32)cc1[N+](=O)[O-] ZINC000595254981 459262313 /nfs/dbraw/zinc/26/23/13/459262313.db2.gz RENZUTPXMYXBSX-CXAGYDPISA-N 1 0 339.395 3.315 20 5 EGBDRO CC(C)[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccc(Cl)cc1 ZINC000534137083 459293079 /nfs/dbraw/zinc/29/30/79/459293079.db2.gz AQOCPOXFXWBBLS-KRWDZBQOSA-N 1 0 349.818 3.397 20 5 EGBDRO COc1ccc(NC(=O)CC[NH2+]C(C(C)C)C(C)C)c([N+](=O)[O-])c1 ZINC000591025263 459296864 /nfs/dbraw/zinc/29/68/64/459296864.db2.gz NKUTULFITRRXNY-UHFFFAOYSA-N 1 0 337.420 3.202 20 5 EGBDRO Cc1noc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@@H]2O)c1[N+](=O)[O-] ZINC000595467680 459314054 /nfs/dbraw/zinc/31/40/54/459314054.db2.gz SWQFHBBWRAZKGY-MHEUCROKSA-N 1 0 337.420 3.043 20 5 EGBDRO CC[NH2+]Cc1cccc(NCc2cc3c(cc2[N+](=O)[O-])OCCO3)c1 ZINC000591277398 459345531 /nfs/dbraw/zinc/34/55/31/459345531.db2.gz LWPKKTVEHDBRGJ-UHFFFAOYSA-N 1 0 343.383 3.088 20 5 EGBDRO COc1ccc(-c2ccc(CNC[C@H]3CCCC[NH2+]3)o2)c([N+](=O)[O-])c1 ZINC000591275683 459346276 /nfs/dbraw/zinc/34/62/76/459346276.db2.gz XWZTVKWQHKUULY-CYBMUJFWSA-N 1 0 345.399 3.095 20 5 EGBDRO C[NH+](C)CC(C)(C)CNc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000560613697 459380906 /nfs/dbraw/zinc/38/09/06/459380906.db2.gz MNPGILSOZQBWGY-UHFFFAOYSA-N 1 0 334.445 3.140 20 5 EGBDRO CC[C@@H]1CC[C@@H](C)[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000595784586 459438917 /nfs/dbraw/zinc/43/89/17/459438917.db2.gz SFDZWIBFTCFIGO-ZIAGYGMSSA-N 1 0 349.431 3.443 20 5 EGBDRO CC(C)(C)C1=CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000541325300 459443576 /nfs/dbraw/zinc/44/35/76/459443576.db2.gz FHSISUUELGRSCP-OAHLLOKOSA-N 1 0 334.416 3.013 20 5 EGBDRO CCc1ccc([C@@H](NCC[N@@H+](C)CC)c2ccc([N+](=O)[O-])cc2)o1 ZINC000541547432 459466603 /nfs/dbraw/zinc/46/66/03/459466603.db2.gz IPVQFJSEGOJPRM-SFHVURJKSA-N 1 0 331.416 3.381 20 5 EGBDRO CC[NH+](CC)Cc1ccccc1CNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596063308 459506562 /nfs/dbraw/zinc/50/65/62/459506562.db2.gz LHRGNAJQJJMRHW-UHFFFAOYSA-N 1 0 330.388 3.149 20 5 EGBDRO O=[N+]([O-])c1cccc(Br)c1NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000596078943 459510952 /nfs/dbraw/zinc/51/09/52/459510952.db2.gz FVFKKSXGYZCWBM-SNVBAGLBSA-N 1 0 340.221 3.254 20 5 EGBDRO C[C@@H]1OCC[C@@]12CN(Cc1c(Cl)cccc1[N+](=O)[O-])C[C@@H](C)O2 ZINC000569915713 459529089 /nfs/dbraw/zinc/52/90/89/459529089.db2.gz QHARYUZTWZLHJB-BFQNTYOBSA-N 1 0 340.807 3.017 20 5 EGBDRO CC[C@H](C)C[C@@H](CO)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000592374365 459583063 /nfs/dbraw/zinc/58/30/63/459583063.db2.gz CMCKZLFWQCFTPV-JQWIXIFHSA-N 1 0 332.347 3.083 20 5 EGBDRO CC[C@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)C(=O)NCc1cccs1 ZINC000592375653 459584370 /nfs/dbraw/zinc/58/43/70/459584370.db2.gz YKKNPHBQYBYJNX-HNNXBMFYSA-N 1 0 347.440 3.149 20 5 EGBDRO CC[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)NCc1cccs1 ZINC000592396762 459591210 /nfs/dbraw/zinc/59/12/10/459591210.db2.gz QZAJQJQEVAFVOM-MLGOLLRUSA-N 1 0 347.440 3.402 20 5 EGBDRO CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000562702360 459626424 /nfs/dbraw/zinc/62/64/24/459626424.db2.gz PCCJQQJMALTTCY-OAHLLOKOSA-N 1 0 347.459 3.205 20 5 EGBDRO Cc1cc(NCC[C@@H]2CCO[C@@H](C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000543208648 459636053 /nfs/dbraw/zinc/63/60/53/459636053.db2.gz REBFGMXQLMHXPR-UONOGXRCSA-N 1 0 329.400 3.490 20 5 EGBDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000596447782 459640083 /nfs/dbraw/zinc/64/00/83/459640083.db2.gz UIAUBVQEKYEDKY-SNVBAGLBSA-N 1 0 340.811 3.243 20 5 EGBDRO CC1(C)CN(CCOc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccncc1 ZINC000596590792 459687894 /nfs/dbraw/zinc/68/78/94/459687894.db2.gz GIKKFQFVRDYCCM-QGZVFWFLSA-N 1 0 327.384 3.452 20 5 EGBDRO CC1(C)CN(CCOc2ccc([N+](=O)[O-])cc2)[C@H]1c1cccnc1 ZINC000596593071 459688589 /nfs/dbraw/zinc/68/85/89/459688589.db2.gz OVTZKSFOYKGGMJ-KRWDZBQOSA-N 1 0 327.384 3.452 20 5 EGBDRO CCC[C@@H]1[C@@H](C)CCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000544070714 459724393 /nfs/dbraw/zinc/72/43/93/459724393.db2.gz KJLJAKKIBYLVND-HRCADAONSA-N 1 0 336.432 3.235 20 5 EGBDRO CC(C)[C@@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000544070237 459724408 /nfs/dbraw/zinc/72/44/08/459724408.db2.gz MNXVYMIFOHLFBH-QFBILLFUSA-N 1 0 344.411 3.321 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000596867027 459782580 /nfs/dbraw/zinc/78/25/80/459782580.db2.gz OAZSAPDEBKGWLQ-CQSZACIVSA-N 1 0 348.447 3.454 20 5 EGBDRO CC[N@@H+]1CCCN(c2cc(C)c(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000574341654 459807804 /nfs/dbraw/zinc/80/78/04/459807804.db2.gz FSEQVOLRBQDEAR-UHFFFAOYSA-N 1 0 331.338 3.454 20 5 EGBDRO O=[N+]([O-])c1cc(CN(Cc2ccccc2)[C@@H]2CCC[NH2+]C2)cs1 ZINC000566226210 459825713 /nfs/dbraw/zinc/82/57/13/459825713.db2.gz KMKKQIYDYTWYIS-MRXNPFEDSA-N 1 0 331.441 3.411 20 5 EGBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@H](c2cncc(F)c2)C2CC2)cc1 ZINC000545982645 459882445 /nfs/dbraw/zinc/88/24/45/459882445.db2.gz RJWIEKVIHLZILR-KRWDZBQOSA-N 1 0 331.347 3.249 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H]1C1CCC1 ZINC000609120995 459905722 /nfs/dbraw/zinc/90/57/22/459905722.db2.gz QYYVERRJEUBCIC-KRWDZBQOSA-N 1 0 331.416 3.496 20 5 EGBDRO O=[N+]([O-])c1ccc(NCc2ccccc2C[N@H+]2CCC[C@H]2CO)s1 ZINC000618160299 459910733 /nfs/dbraw/zinc/91/07/33/459910733.db2.gz OLLZHYCHXFBEOJ-HNNXBMFYSA-N 1 0 347.440 3.225 20 5 EGBDRO COc1cc(OC)c(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)cc1F ZINC000593624618 459937191 /nfs/dbraw/zinc/93/71/91/459937191.db2.gz JCORNWJMJORXKP-UHFFFAOYSA-N 1 0 348.374 3.426 20 5 EGBDRO C[C@@H]1CCC[C@H]([NH2+][C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)[C@H]1C ZINC000609451129 459963774 /nfs/dbraw/zinc/96/37/74/459963774.db2.gz NBGVKMXDVBIUMK-OQUILHJVSA-N 1 0 331.416 3.114 20 5 EGBDRO CCOc1cncc(C[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000598635356 459971314 /nfs/dbraw/zinc/97/13/14/459971314.db2.gz CZJYOKVZDLAVSU-UHFFFAOYSA-N 1 0 335.791 3.374 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]Cc3cccc(Cl)c3)CC2)cn1 ZINC000602505757 459972577 /nfs/dbraw/zinc/97/25/77/459972577.db2.gz YTTXLUINUSNTQL-UHFFFAOYSA-N 1 0 346.818 3.402 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@H](c2ccco2)N2CCCC2)cc1 ZINC000602506898 459973454 /nfs/dbraw/zinc/97/34/54/459973454.db2.gz XQULNVDIQIKCGH-QGZVFWFLSA-N 1 0 329.400 3.157 20 5 EGBDRO Cc1c(NC(=O)CC[N@@H+]2CC[C@@H](c3ccco3)C2)cccc1[N+](=O)[O-] ZINC000609539868 459978151 /nfs/dbraw/zinc/97/81/51/459978151.db2.gz FZDJSZYNEDVOLZ-CQSZACIVSA-N 1 0 343.383 3.314 20 5 EGBDRO O=[N+]([O-])c1sc(C[NH2+]C[C@H]2CCCCO2)cc1Br ZINC000602522438 459981876 /nfs/dbraw/zinc/98/18/76/459981876.db2.gz UOFYSGNIZLPPBG-MRVPVSSYSA-N 1 0 335.223 3.078 20 5 EGBDRO O=[N+]([O-])c1ncccc1NCC1([NH+]2CCSCC2)CCCCC1 ZINC000609564192 459982132 /nfs/dbraw/zinc/98/21/32/459982132.db2.gz RRRJECWPIJDVEQ-UHFFFAOYSA-N 1 0 336.461 3.153 20 5 EGBDRO COc1ccc(F)c(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000598680060 459991255 /nfs/dbraw/zinc/99/12/55/459991255.db2.gz RXPHMFXJMGFPDX-HZPDHXFCSA-N 1 0 348.378 3.213 20 5 EGBDRO COc1ccc(F)c(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000598680059 459992047 /nfs/dbraw/zinc/99/20/47/459992047.db2.gz RXPHMFXJMGFPDX-HOTGVXAUSA-N 1 0 348.378 3.213 20 5 EGBDRO C[C@H]1C[C@H](NCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000602569126 460000669 /nfs/dbraw/zinc/00/06/69/460000669.db2.gz NQEBYTMYCRFXKJ-GWCFXTLKSA-N 1 0 343.349 3.328 20 5 EGBDRO O=C(CC[NH+]1CC(Cc2ccsc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000598705769 460001383 /nfs/dbraw/zinc/00/13/83/460001383.db2.gz NLRCYSDGRKLHDB-UHFFFAOYSA-N 1 0 345.424 3.159 20 5 EGBDRO CC[C@@](C)(CCO)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602570788 460002452 /nfs/dbraw/zinc/00/24/52/460002452.db2.gz TXYMIYPWOSAPNN-NSHDSACASA-N 1 0 337.239 3.060 20 5 EGBDRO CC(C)CC1(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 ZINC000602570122 460003224 /nfs/dbraw/zinc/00/32/24/460003224.db2.gz UWWCRYGFDCRBLF-UHFFFAOYSA-N 1 0 332.448 3.375 20 5 EGBDRO [NH3+][C@]12CCC[C@H]1CN(Cc1ccc(-c3ccc([N+](=O)[O-])cc3)o1)C2 ZINC000598719962 460004463 /nfs/dbraw/zinc/00/44/63/460004463.db2.gz OUPFVWVMXLOAOO-KSSFIOAISA-N 1 0 327.384 3.168 20 5 EGBDRO C[C@]1(C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CCCO1 ZINC000602575872 460004830 /nfs/dbraw/zinc/00/48/30/460004830.db2.gz JQOCURVSBUQMDM-LLVKDONJSA-N 1 0 335.223 3.078 20 5 EGBDRO C[NH+](C)[C@@H](CNCc1nc2cc([N+](=O)[O-])ccc2o1)c1ccccc1 ZINC000602586660 460013070 /nfs/dbraw/zinc/01/30/70/460013070.db2.gz LZAUWECSNBJQQI-INIZCTEOSA-N 1 0 340.383 3.129 20 5 EGBDRO C[N@H+](Cc1ccccc1)[C@H](CNc1cccnc1[N+](=O)[O-])C1CC1 ZINC000614153762 460030456 /nfs/dbraw/zinc/03/04/56/460030456.db2.gz XAHNUUYBICXLQP-QGZVFWFLSA-N 1 0 326.400 3.312 20 5 EGBDRO Cn1cc(CCC[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cn1 ZINC000602641540 460037961 /nfs/dbraw/zinc/03/79/61/460037961.db2.gz SPODOBWSWLDTPE-UHFFFAOYSA-N 1 0 342.321 3.070 20 5 EGBDRO Cc1cnc(OC2CC[NH+]([C@@H](C)c3ccccc3[N+](=O)[O-])CC2)nc1 ZINC000594020371 460058865 /nfs/dbraw/zinc/05/88/65/460058865.db2.gz GGWMUJKDTPQTSQ-AWEZNQCLSA-N 1 0 342.399 3.298 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cccc(C(F)(F)F)n2)cc1 ZINC000602675874 460060552 /nfs/dbraw/zinc/06/05/52/460060552.db2.gz WLHJKKVVUPFQHJ-UHFFFAOYSA-N 1 0 325.290 3.341 20 5 EGBDRO COc1ccc(C)cc1C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000618571471 460067289 /nfs/dbraw/zinc/06/72/89/460067289.db2.gz UJLPIOJLXCWZLM-CVEARBPZSA-N 1 0 344.415 3.382 20 5 EGBDRO C[C@H]1C[C@H]([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CS1 ZINC000602691280 460069294 /nfs/dbraw/zinc/06/92/94/460069294.db2.gz QLOBRWHCVSUEFT-BQBZGAKWSA-N 1 0 337.264 3.402 20 5 EGBDRO COc1cc(N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000610281832 460107980 /nfs/dbraw/zinc/10/79/80/460107980.db2.gz QBORIDKSPZCYRO-KRWDZBQOSA-N 1 0 341.411 3.314 20 5 EGBDRO CC(C)c1ccc(C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000597921910 460112987 /nfs/dbraw/zinc/11/29/87/460112987.db2.gz HTCKQCALGSKYNP-AWEZNQCLSA-N 1 0 333.432 3.321 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@H](c2ccc(C)cc2)C[C@H]1C ZINC000602819390 460144187 /nfs/dbraw/zinc/14/41/87/460144187.db2.gz ARHGAAXHAWNQEG-RHSMWYFYSA-N 1 0 328.416 3.286 20 5 EGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCN1CC(F)F ZINC000599064659 460146772 /nfs/dbraw/zinc/14/67/72/460146772.db2.gz DIYGTSFJPRMLRH-HIFRSBDPSA-N 1 0 341.402 3.235 20 5 EGBDRO CN(CC[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)CC(F)F ZINC000599094728 460159331 /nfs/dbraw/zinc/15/93/31/460159331.db2.gz LOCAETRYDUDCNE-GOSISDBHSA-N 1 0 349.381 3.471 20 5 EGBDRO CN(C(=O)CN1CC[C@H]1c1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000610505814 460168203 /nfs/dbraw/zinc/16/82/03/460168203.db2.gz XRCUZFFKWHHQGP-KRWDZBQOSA-N 1 0 343.358 3.144 20 5 EGBDRO O=[N+]([O-])c1ccccc1N1CC[NH+](Cc2ccc3cnccc3c2)CC1 ZINC000618809013 460184421 /nfs/dbraw/zinc/18/44/21/460184421.db2.gz PXZSGZPUHZVKFW-UHFFFAOYSA-N 1 0 348.406 3.465 20 5 EGBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3ccc4cnccc4c3)nc2c1 ZINC000618822757 460189418 /nfs/dbraw/zinc/18/94/18/460189418.db2.gz LKBVQCMHGDOTRG-UHFFFAOYSA-N 1 0 333.351 3.309 20 5 EGBDRO Cc1ncc([C@H](C)[NH2+]CCC(=O)Nc2cccc([N+](=O)[O-])c2C)s1 ZINC000602953745 460200234 /nfs/dbraw/zinc/20/02/34/460200234.db2.gz CGJCCXXINSWYOT-NSHDSACASA-N 1 0 348.428 3.348 20 5 EGBDRO COc1ccc(OCC[NH+]2C[C@@H](C)C(F)(F)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000599511583 460265393 /nfs/dbraw/zinc/26/53/93/460265393.db2.gz ARMSCKDCJDNKDE-VXGBXAGGSA-N 1 0 344.358 3.205 20 5 EGBDRO C[C@@H](C(=O)N(C)CCCC[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000603407189 460299573 /nfs/dbraw/zinc/29/95/73/460299573.db2.gz PYDQYYUYTGANCZ-MRXNPFEDSA-N 1 0 347.459 3.423 20 5 EGBDRO Cc1ccncc1[C@@H](C)[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000611299726 460332369 /nfs/dbraw/zinc/33/23/69/460332369.db2.gz DUWWHZMGUPYXCS-ZIAGYGMSSA-N 1 0 342.399 3.366 20 5 EGBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](C)C2(CCC2)C1 ZINC000611303390 460334172 /nfs/dbraw/zinc/33/41/72/460334172.db2.gz ADKTYEUWOGKXQU-KGLIPLIRSA-N 1 0 331.416 3.434 20 5 EGBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)cc1 ZINC000611350105 460343081 /nfs/dbraw/zinc/34/30/81/460343081.db2.gz BGZRVSUULOUWTO-JKSUJKDBSA-N 1 0 334.416 3.112 20 5 EGBDRO O=[N+]([O-])c1ncccc1N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000603845136 460346829 /nfs/dbraw/zinc/34/68/29/460346829.db2.gz RVKLWZGORHBXMR-UHFFFAOYSA-N 1 0 346.818 3.356 20 5 EGBDRO Cn1cc(C[NH2+][C@@H]2CCC(F)(F)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000611464400 460370404 /nfs/dbraw/zinc/37/04/04/460370404.db2.gz MFSLUMVCAQSLIW-CYBMUJFWSA-N 1 0 336.342 3.273 20 5 EGBDRO O=[N+]([O-])c1c(N2CCC(C[NH+]3CCCCC3)CC2)nc2sccn21 ZINC000604482909 460432243 /nfs/dbraw/zinc/43/22/43/460432243.db2.gz LADRIBDAUMHVQT-UHFFFAOYSA-N 1 0 349.460 3.006 20 5 EGBDRO O=[N+]([O-])c1ccc2ncnc(NC3CC[NH+](C4CCCC4)CC3)c2c1 ZINC000611705895 460433825 /nfs/dbraw/zinc/43/38/25/460433825.db2.gz CIKSVBMUWHRMGK-UHFFFAOYSA-N 1 0 341.415 3.357 20 5 EGBDRO COc1ccc(NC(=O)CC[NH2+][C@H](C)c2ccsc2)c([N+](=O)[O-])c1 ZINC000619782574 460442758 /nfs/dbraw/zinc/44/27/58/460442758.db2.gz DTQRCEUWJXDWQC-LLVKDONJSA-N 1 0 349.412 3.344 20 5 EGBDRO CC[NH+](CC)[C@@H](CNC(=O)c1c(F)cccc1[N+](=O)[O-])CC(C)C ZINC000601164314 460737209 /nfs/dbraw/zinc/73/72/09/460737209.db2.gz SCRCLTIZDUBYOR-CYBMUJFWSA-N 1 0 339.411 3.220 20 5 EGBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1ccnc2ccc([N+](=O)[O-])cc21 ZINC000601164701 460737316 /nfs/dbraw/zinc/73/73/16/460737316.db2.gz FHZBPJCIDLZOEK-HIFRSBDPSA-N 1 0 326.400 3.206 20 5 EGBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)[C@H](CC)Cc1ccc([N+](=O)[O-])cc1 ZINC000613234229 460876735 /nfs/dbraw/zinc/87/67/35/460876735.db2.gz YBDDFUDIVIGENR-IAGOWNOFSA-N 1 0 347.459 3.154 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3C[C@@H]4COC[C@@H]4C3)s2)cc1 ZINC000601976991 460968776 /nfs/dbraw/zinc/96/87/76/460968776.db2.gz SSTYZHILQITOAB-OKILXGFUSA-N 1 0 330.409 3.402 20 5 EGBDRO C[C@H](C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000617831908 460989282 /nfs/dbraw/zinc/98/92/82/460989282.db2.gz SYGDFVMERBUZLL-LBPRGKRZSA-N 1 0 333.432 3.124 20 5 EGBDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCC(=O)N2C)c1cccc([N+](=O)[O-])c1 ZINC000187133019 533924586 /nfs/dbraw/zinc/92/45/86/533924586.db2.gz GZBPCHGGDPPCJX-ZDUSSCGKSA-N 1 0 339.395 3.355 20 5 EGBDRO CC(=O)Nc1cccc([C@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000193575823 534760174 /nfs/dbraw/zinc/76/01/74/534760174.db2.gz GSRQMVWFSSRGIK-ZDUSSCGKSA-N 1 0 343.383 3.283 20 5 EGBDRO CC[C@H]1CCCCN1C(=O)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181816662 529198556 /nfs/dbraw/zinc/19/85/56/529198556.db2.gz YTTNGECIOXEZQX-HOCLYGCPSA-N 1 0 333.432 3.345 20 5 EGBDRO C[C@H](Cc1cnccn1)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000726605295 574563396 /nfs/dbraw/zinc/56/33/96/574563396.db2.gz BOMLBYRHIAYKOK-CYBMUJFWSA-N 1 0 338.367 3.366 20 5 EGBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000585681800 574667896 /nfs/dbraw/zinc/66/78/96/574667896.db2.gz FDVHNMXUUSTBOJ-SFHVURJKSA-N 1 0 345.443 3.051 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1ccc(C[NH+](C)C)cc1 ZINC000738517678 576333415 /nfs/dbraw/zinc/33/34/15/576333415.db2.gz MHIOWSYTWUWDOD-UHFFFAOYSA-N 1 0 341.411 3.237 20 5 EGBDRO O=[N+]([O-])c1ccc2oc(=S)n(C[N@H+](C[C@H]3CCOC3)C3CC3)c2c1 ZINC000054495682 1291753363 /nfs/dbraw/zinc/75/33/63/1291753363.db2.gz QRWRXDLJVZZZJY-LLVKDONJSA-N 1 0 349.412 3.330 20 5 EGBDRO C[C@@H]1CN(c2cc(N)ccc2[N+](=O)[O-])CC[N@H+](Cc2ccccc2)C1 ZINC000829067319 1292534315 /nfs/dbraw/zinc/53/43/15/1292534315.db2.gz QDDLSZKESHEPGA-HNNXBMFYSA-N 1 0 340.427 3.135 20 5 EGBDRO CCN(C)[C@@H](C(=O)OCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000121790253 1293390270 /nfs/dbraw/zinc/39/02/70/1293390270.db2.gz LVPDBVVYDHRQSS-QGZVFWFLSA-N 1 0 328.368 3.331 20 5 EGBDRO C[NH+](C)CCN(C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C1CCCC1 ZINC000126148560 1293526953 /nfs/dbraw/zinc/52/69/53/1293526953.db2.gz WYRRPEZDMKDJQD-UHFFFAOYSA-N 1 0 339.823 3.195 20 5 EGBDRO COc1ccc([C@@H](CCO)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000128594637 1293598445 /nfs/dbraw/zinc/59/84/45/1293598445.db2.gz KDLSUXBWKMDQPM-QGZVFWFLSA-N 1 0 330.384 3.125 20 5 EGBDRO CC(C)C1CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000128721039 1293602279 /nfs/dbraw/zinc/60/22/79/1293602279.db2.gz VGZXZRBTQUQGJI-UHFFFAOYSA-N 1 0 337.395 3.431 20 5 EGBDRO O=C(CC[N@@H+]1CCC2(CCCC2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000128750722 1293603028 /nfs/dbraw/zinc/60/30/28/1293603028.db2.gz DKSWFLXTHBXVSU-UHFFFAOYSA-N 1 0 335.379 3.329 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@H](Cc3ccc(F)cc3)C2)c1 ZINC000154338558 1294050883 /nfs/dbraw/zinc/05/08/83/1294050883.db2.gz XSCIMGQPAUHBTB-DNVCBOLYSA-N 1 0 344.386 3.332 20 5 EGBDRO C[NH+](C)CCN(C(=O)c1ccc([N+](=O)[O-])c(Cl)c1)c1ccccc1 ZINC000155185026 1294087562 /nfs/dbraw/zinc/08/75/62/1294087562.db2.gz HMWLGPJDWDXHNX-UHFFFAOYSA-N 1 0 347.802 3.457 20 5 EGBDRO C[C@H]1C[C@H](Nc2cc(Br)ccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000156201575 1294132122 /nfs/dbraw/zinc/13/21/22/1294132122.db2.gz FJQQCWZKHYKXEX-GXSJLCMTSA-N 1 0 328.210 3.252 20 5 EGBDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000177316981 1294663329 /nfs/dbraw/zinc/66/33/29/1294663329.db2.gz KFEPMIOVEYXDJD-UHFFFAOYSA-N 1 0 331.347 3.356 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CC3CC3)CC2)c2ccncc21 ZINC000261618294 1296596325 /nfs/dbraw/zinc/59/63/25/1296596325.db2.gz FSWVZNWXHKQOBJ-UHFFFAOYSA-N 1 0 326.400 3.111 20 5 EGBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000872261141 1296861708 /nfs/dbraw/zinc/86/17/08/1296861708.db2.gz KBAFGIBCULKHJP-HIFRSBDPSA-N 1 0 339.823 3.114 20 5 EGBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)[C@]12CCCO2 ZINC000873105139 1297274961 /nfs/dbraw/zinc/27/49/61/1297274961.db2.gz SJJPVMBHLGQJGM-KZNAEPCWSA-N 1 0 334.416 3.028 20 5 EGBDRO Cc1c(C[NH2+]Cc2ccc(C[S@@](C)=O)cc2)cccc1[N+](=O)[O-] ZINC000873126271 1297283965 /nfs/dbraw/zinc/28/39/65/1297283965.db2.gz CMTBJLZOHWNWPY-HSZRJFAPSA-N 1 0 332.425 3.072 20 5 EGBDRO CC(=O)N(C)c1ccc(C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)cc1 ZINC000873143626 1297298220 /nfs/dbraw/zinc/29/82/20/1297298220.db2.gz NNUXFLDIPZXGEM-UHFFFAOYSA-N 1 0 341.411 3.484 20 5 EGBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H]2C[C@H](O)C2)ccc1Oc1ccc(F)cc1 ZINC000873176666 1297327097 /nfs/dbraw/zinc/32/70/97/1297327097.db2.gz GVFJDFZNZXFUGG-CTYIDZIISA-N 1 0 346.358 3.387 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000874104607 1297789338 /nfs/dbraw/zinc/78/93/38/1297789338.db2.gz KPLZWHNLNBTGKH-CYBMUJFWSA-N 1 0 333.432 3.063 20 5 EGBDRO O=[N+]([O-])c1ccnn1C[N@H+](CCc1ccccc1F)C1CCCC1 ZINC000746065336 1298521414 /nfs/dbraw/zinc/52/14/14/1298521414.db2.gz DWGCGDNPXRYOAX-UHFFFAOYSA-N 1 0 332.379 3.375 20 5 EGBDRO C[N@H+](CC1CC1)C[C@H]1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)C1 ZINC000746391443 1298579703 /nfs/dbraw/zinc/57/97/03/1298579703.db2.gz ODHJFDWUQFGGAC-CYBMUJFWSA-N 1 0 346.456 3.373 20 5 EGBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000746668206 1298637925 /nfs/dbraw/zinc/63/79/25/1298637925.db2.gz NTGZREWHGCTSFO-AWEZNQCLSA-N 1 0 337.851 3.412 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CCC(C(=O)N(C)C(C)C)CC1 ZINC000876616592 1298872126 /nfs/dbraw/zinc/87/21/26/1298872126.db2.gz OYEUHNXYUTXMRN-UHFFFAOYSA-N 1 0 347.459 3.290 20 5 EGBDRO C[NH+](C)[C@@]1(CNc2nc3ccc([N+](=O)[O-])cc3s2)CCSC1 ZINC000748280735 1298974541 /nfs/dbraw/zinc/97/45/41/1298974541.db2.gz DJOHLWGAALDYEQ-CQSZACIVSA-N 1 0 338.458 3.054 20 5 EGBDRO O=[N+]([O-])c1sc(C[NH2+]CCc2cccnc2)cc1Br ZINC000876923285 1299067692 /nfs/dbraw/zinc/06/76/92/1299067692.db2.gz SUACWJVKTNPHJE-UHFFFAOYSA-N 1 0 342.218 3.146 20 5 EGBDRO CCOc1cc(NC2CC[NH+](C[C@@H]3CCCO3)CC2)ccc1[N+](=O)[O-] ZINC000749267918 1299182075 /nfs/dbraw/zinc/18/20/75/1299182075.db2.gz APQDXTCFZKNWRB-INIZCTEOSA-N 1 0 349.431 3.049 20 5 EGBDRO O=C1[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCN1c1cccc(Cl)c1 ZINC000749882068 1299292094 /nfs/dbraw/zinc/29/20/94/1299292094.db2.gz DICBKLFKYRAPGJ-INIZCTEOSA-N 1 0 345.786 3.143 20 5 EGBDRO CC(C)(C)SCCC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000878694395 1300149292 /nfs/dbraw/zinc/14/92/92/1300149292.db2.gz RULNPZRVQAWWPY-UHFFFAOYSA-N 1 0 338.477 3.034 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)c1ccc(C)s1 ZINC000754674091 1300188617 /nfs/dbraw/zinc/18/86/17/1300188617.db2.gz LWELQMNYHMESJC-LLVKDONJSA-N 1 0 349.412 3.263 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3C[C@@H]4CC=CC[C@@H]4C3)n2)cc1 ZINC000879529434 1300584088 /nfs/dbraw/zinc/58/40/88/1300584088.db2.gz NOGNBEYBOMLTHB-OKILXGFUSA-N 1 0 326.356 3.043 20 5 EGBDRO C[C@](O)(C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000758600121 1300918890 /nfs/dbraw/zinc/91/88/90/1300918890.db2.gz NCIWNVNUTQRLSM-SUZKBHRPSA-N 1 0 330.359 3.244 20 5 EGBDRO Cc1cc(C[NH+](C)C)cc(NC(=O)c2cc(F)ccc2[N+](=O)[O-])c1 ZINC000759744322 1301153891 /nfs/dbraw/zinc/15/38/91/1301153891.db2.gz IOGQALKLTWAZGK-UHFFFAOYSA-N 1 0 331.347 3.356 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CC[C@H]([NH+]3CCCCC3)C2)c(OC(F)F)c1 ZINC000760527113 1301288313 /nfs/dbraw/zinc/28/83/13/1301288313.db2.gz AZOMIJWXYGTWRZ-ZDUSSCGKSA-N 1 0 341.358 3.261 20 5 EGBDRO O=[N+]([O-])c1c(F)nccc1NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000881758577 1301714346 /nfs/dbraw/zinc/71/43/46/1301714346.db2.gz OEKJWFQXYVJBHL-LBPRGKRZSA-N 1 0 336.392 3.439 20 5 EGBDRO CCOc1cccc(NC2CC[NH+](C[C@@H]3CCCO3)CC2)c1[N+](=O)[O-] ZINC000762789485 1301749477 /nfs/dbraw/zinc/74/94/77/1301749477.db2.gz GYQNRFKUWVHHJC-HNNXBMFYSA-N 1 0 349.431 3.049 20 5 EGBDRO C[C@@H]1CCN(c2ccnc(F)c2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000882037899 1301799574 /nfs/dbraw/zinc/79/95/74/1301799574.db2.gz PTFNDPIVHGVGHC-CQSZACIVSA-N 1 0 344.390 3.230 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2CCCOc3ccc(F)cc32)cc1 ZINC000765845708 1302338923 /nfs/dbraw/zinc/33/89/23/1302338923.db2.gz SVYMDFRLDOUZCM-IAGOWNOFSA-N 1 0 346.358 3.271 20 5 EGBDRO CSC1(CNc2ncc([N+](=O)[O-])c3ccccc32)CC[NH+](C)CC1 ZINC000884511590 1302890394 /nfs/dbraw/zinc/89/03/94/1302890394.db2.gz LQGAZPJBTRTWBR-UHFFFAOYSA-N 1 0 346.456 3.382 20 5 EGBDRO Cc1c(C(=O)OCC[N@@H+](C)Cc2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000769041808 1303035191 /nfs/dbraw/zinc/03/51/91/1303035191.db2.gz LRMLVIBSPUMWMC-UHFFFAOYSA-N 1 0 346.358 3.331 20 5 EGBDRO Cc1cc(C(=O)OCC[N@@H+](C)Cc2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000769040699 1303035229 /nfs/dbraw/zinc/03/52/29/1303035229.db2.gz IBASCWRHERMPQN-UHFFFAOYSA-N 1 0 346.358 3.331 20 5 EGBDRO O=[N+]([O-])c1ncccc1CN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000885954215 1303295800 /nfs/dbraw/zinc/29/58/00/1303295800.db2.gz QTBSVMAIONXANU-UHFFFAOYSA-N 1 0 332.448 3.078 20 5 EGBDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(Cc2cccnc2[N+](=O)[O-])C1 ZINC000886010976 1303317098 /nfs/dbraw/zinc/31/70/98/1303317098.db2.gz TZTWIMZATHVHBE-HOTGVXAUSA-N 1 0 332.448 3.076 20 5 EGBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000886021328 1303321010 /nfs/dbraw/zinc/32/10/10/1303321010.db2.gz UGLRZWYUSCFGRJ-MRXNPFEDSA-N 1 0 327.384 3.029 20 5 EGBDRO CCCCCC[N@H+](C)CC(=O)N1CCc2cc(C)c([N+](=O)[O-])cc21 ZINC000773989249 1303761050 /nfs/dbraw/zinc/76/10/50/1303761050.db2.gz KOFYKAPVUFWWBZ-UHFFFAOYSA-N 1 0 333.432 3.304 20 5 EGBDRO CC[C@@](C)([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000775392189 1303954853 /nfs/dbraw/zinc/95/48/53/1303954853.db2.gz YZHCFVOVHMSMJU-IEBWSBKVSA-N 1 0 344.411 3.250 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)c1C ZINC000888185542 1304063563 /nfs/dbraw/zinc/06/35/63/1304063563.db2.gz OIRNTNICQXRKFY-KBPBESRZSA-N 1 0 333.432 3.204 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCC[C@@H]2c2ccc(O)cc2)cc1 ZINC000776588980 1304176784 /nfs/dbraw/zinc/17/67/84/1304176784.db2.gz XZMMRWUTNYWQPJ-MSOLQXFVSA-N 1 0 328.368 3.171 20 5 EGBDRO C[C@]1([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCCc2ccccc21 ZINC000776592407 1304177653 /nfs/dbraw/zinc/17/76/53/1304177653.db2.gz ONNJPJVLAYCPLD-MOPGFXCFSA-N 1 0 326.396 3.470 20 5 EGBDRO Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2F)c(C[NH+](C)C)c1 ZINC000776925700 1304220280 /nfs/dbraw/zinc/22/02/80/1304220280.db2.gz HFROGWZRYMYIRW-UHFFFAOYSA-N 1 0 331.347 3.356 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000777438049 1304296002 /nfs/dbraw/zinc/29/60/02/1304296002.db2.gz KQZHUWOFFVGWMA-JUGMSXHOSA-N 1 0 342.370 3.341 20 5 EGBDRO CC(C)COc1cccc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000777446242 1304297593 /nfs/dbraw/zinc/29/75/93/1304297593.db2.gz YZIQYNOQBWONDD-IBGZPJMESA-N 1 0 344.411 3.453 20 5 EGBDRO CC[C@@H](C(=O)OCc1ccc([N+](=O)[O-])cc1Cl)[NH+](CC)CC ZINC000778093455 1304396153 /nfs/dbraw/zinc/39/61/53/1304396153.db2.gz WODKODFNVPFFOH-AWEZNQCLSA-N 1 0 328.796 3.412 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC([NH2+]C2CCC2)CC1 ZINC000889817883 1304596288 /nfs/dbraw/zinc/59/62/88/1304596288.db2.gz HRQLNRBCIDFWFK-UHFFFAOYSA-N 1 0 349.456 3.063 20 5 EGBDRO CC(C)(C(=O)N1CCC([NH2+]C2CCC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000889824283 1304598364 /nfs/dbraw/zinc/59/83/64/1304598364.db2.gz DBYLMEBLYXYHJD-UHFFFAOYSA-N 1 0 345.443 3.006 20 5 EGBDRO CC(C)(C)OC(=O)NC1(C)CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000781972009 1304896799 /nfs/dbraw/zinc/89/67/99/1304896799.db2.gz WBYWEDOWMLTIJC-UHFFFAOYSA-N 1 0 349.431 3.474 20 5 EGBDRO Cc1nn(C[N@H+]2C[C@H](C)[C@@H]3CCCC[C@H]32)c2ncc([N+](=O)[O-])cc12 ZINC000782278087 1304946476 /nfs/dbraw/zinc/94/64/76/1304946476.db2.gz SYTIQZRNZMTTGV-HZUKXOBISA-N 1 0 329.404 3.116 20 5 EGBDRO C[C@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC(C)(C)C1 ZINC000782531596 1304985916 /nfs/dbraw/zinc/98/59/16/1304985916.db2.gz XGCGRCNAHOAUEJ-GFCCVEGCSA-N 1 0 337.395 3.431 20 5 EGBDRO C[C@H](COCC(F)(F)F)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783597299 1305113670 /nfs/dbraw/zinc/11/36/70/1305113670.db2.gz JIMCDWBSJGXNIA-MRVPVSSYSA-N 1 0 326.702 3.305 20 5 EGBDRO CC(C)(C)[C@@H]1CC[N@H+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C1 ZINC000784034988 1305180823 /nfs/dbraw/zinc/18/08/23/1305180823.db2.gz XOGCOAYLXQDTTB-CQSZACIVSA-N 1 0 329.404 3.179 20 5 EGBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H](O)c2cc(F)cc(Cl)c2)cs1 ZINC000785610252 1305393259 /nfs/dbraw/zinc/39/32/59/1305393259.db2.gz PYFKJZRTJPJNLP-LBPRGKRZSA-N 1 0 330.768 3.272 20 5 EGBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000786573899 1305602735 /nfs/dbraw/zinc/60/27/35/1305602735.db2.gz IQXPHGWWTKURIE-MRXNPFEDSA-N 1 0 339.395 3.484 20 5 EGBDRO Nc1ccc(NCc2ccccc2C[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000786574360 1305602906 /nfs/dbraw/zinc/60/29/06/1305602906.db2.gz NKAIDSXKSVTSEP-UHFFFAOYSA-N 1 0 326.400 3.385 20 5 EGBDRO C[C@@H](NCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788541161 1305967366 /nfs/dbraw/zinc/96/73/66/1305967366.db2.gz XALXFMJGTMRPLC-RBSFLKMASA-N 1 0 334.464 3.196 20 5 EGBDRO COC(=O)N1CCC[C@@H]([NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000788579204 1305973909 /nfs/dbraw/zinc/97/39/09/1305973909.db2.gz ZIHLTVZYWPLUDM-WBMJQRKESA-N 1 0 347.415 3.138 20 5 EGBDRO CO[C@@H](C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C(F)(F)F ZINC000788597281 1305978339 /nfs/dbraw/zinc/97/83/39/1305978339.db2.gz WFBLPSPYXBHNLH-OLZOCXBDSA-N 1 0 332.322 3.484 20 5 EGBDRO C[C@@H]([NH2+][C@H]1CCc2ccccc2OC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788821466 1306022478 /nfs/dbraw/zinc/02/24/78/1306022478.db2.gz FZNAWXRLVCZFTQ-DOMZBBRYSA-N 1 0 327.384 3.221 20 5 EGBDRO COc1ccc(C[NH2+]Cc2cccc3c2NCCC3)cc1[N+](=O)[O-] ZINC000894206449 1306276849 /nfs/dbraw/zinc/27/68/49/1306276849.db2.gz ISCBGBGJEDPVFR-UHFFFAOYSA-N 1 0 327.384 3.251 20 5 EGBDRO COCC[N@H+](Cn1nc(C)c2ccc([N+](=O)[O-])cc21)[C@@H]1CC[C@@H](C)C1 ZINC000790479568 1306333936 /nfs/dbraw/zinc/33/39/36/1306333936.db2.gz PVUJCZZINQTGBD-UKRRQHHQSA-N 1 0 346.431 3.347 20 5 EGBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C/C=C\c3cccc(F)c3)CC2)n1 ZINC000894580242 1308965177 /nfs/dbraw/zinc/96/51/77/1308965177.db2.gz RTXUDFGVKZUHAT-RQOWECAXSA-N 1 0 330.363 3.281 20 5 EGBDRO COc1c(O)ccc(C[NH2+]C[C@H]2CCCCC2(F)F)c1[N+](=O)[O-] ZINC000894669213 1309014711 /nfs/dbraw/zinc/01/47/11/1309014711.db2.gz ZRSQPZJZHYPTHR-LLVKDONJSA-N 1 0 330.331 3.224 20 5 EGBDRO CC[C@@H](C[NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-])CC(F)(F)F ZINC000894906951 1309123556 /nfs/dbraw/zinc/12/35/56/1309123556.db2.gz XNXRVGUMCZFBNH-SECBINFHSA-N 1 0 336.310 3.377 20 5 EGBDRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000895814987 1309531986 /nfs/dbraw/zinc/53/19/86/1309531986.db2.gz WPRPETGHUAWAGC-AWEZNQCLSA-N 1 0 335.448 3.452 20 5 EGBDRO C[N@H+](CN1CCN(c2ccccc2[N+](=O)[O-])C1=O)[C@H]1CCC(C)(C)C1 ZINC000794686777 1309574427 /nfs/dbraw/zinc/57/44/27/1309574427.db2.gz QUNMQTSCOBWOQP-AWEZNQCLSA-N 1 0 346.431 3.305 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)c1C ZINC000895974434 1309622275 /nfs/dbraw/zinc/62/22/75/1309622275.db2.gz MQJMHXHUUHPBPS-HNNXBMFYSA-N 1 0 333.432 3.062 20 5 EGBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])CCc1ccccc1[N+](=O)[O-] ZINC000796114605 1309911203 /nfs/dbraw/zinc/91/12/03/1309911203.db2.gz MNRKAARYVFAKNY-UHFFFAOYSA-N 1 0 345.355 3.056 20 5 EGBDRO COc1ccc(C[NH2+][C@@H](C)[C@@H](O)c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000796480463 1310011653 /nfs/dbraw/zinc/01/16/53/1310011653.db2.gz MBGPUNIXWGOPRW-SCLBCKFNSA-N 1 0 330.384 3.124 20 5 EGBDRO CC(C)c1ccc(C[NH+]2CCC3(CC2)C[C@H](O)CCO3)cc1[N+](=O)[O-] ZINC000897262255 1310251887 /nfs/dbraw/zinc/25/18/87/1310251887.db2.gz XBIMWFIODXDUIE-MRXNPFEDSA-N 1 0 348.443 3.224 20 5 EGBDRO CCN(CCC[NH+]1CCCC1)C(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000897530959 1310365522 /nfs/dbraw/zinc/36/55/22/1310365522.db2.gz QLTCEXLGZLTXFZ-UHFFFAOYSA-N 1 0 333.432 3.160 20 5 EGBDRO CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC000898463314 1310744470 /nfs/dbraw/zinc/74/44/70/1310744470.db2.gz XUJNBZVIYCKZKR-NSHDSACASA-N 1 0 330.388 3.248 20 5 EGBDRO Cc1c(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)cccc1[N+](=O)[O-] ZINC000801600742 1310972490 /nfs/dbraw/zinc/97/24/90/1310972490.db2.gz UDIFGSUWVREPNF-UHFFFAOYSA-N 1 0 329.356 3.486 20 5 EGBDRO CC(C)(CCC(=O)NCC1([NH+]2CCCCC2)CCCCC1)[N+](=O)[O-] ZINC000822208982 1320062162 /nfs/dbraw/zinc/06/21/62/1320062162.db2.gz PEXGZCUKBYGSQM-UHFFFAOYSA-N 1 0 339.480 3.127 20 5 EGBDRO C[C@@H]1C[C@H](Nc2ccc(N)cc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000804545508 1317257907 /nfs/dbraw/zinc/25/79/07/1317257907.db2.gz YYKDOSVYQJNGPW-CJNGLKHVSA-N 1 0 326.400 3.252 20 5 EGBDRO CC[N@@H+](Cc1ccccc1[N+](=O)[O-])CC1CCN(C(=O)C(C)C)CC1 ZINC000957679046 1317552159 /nfs/dbraw/zinc/55/21/59/1317552159.db2.gz BHGRVVJRVVWZPR-UHFFFAOYSA-N 1 0 347.459 3.311 20 5 EGBDRO Cc1sccc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001020130934 1317554086 /nfs/dbraw/zinc/55/40/86/1317554086.db2.gz QCTGWMHVXSGWKC-HDJSIYSDSA-N 1 0 345.424 3.015 20 5 EGBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])C1(NC(=O)OC(C)(C)C)CC1 ZINC000903103313 1317653167 /nfs/dbraw/zinc/65/31/67/1317653167.db2.gz GPJDPYLYWJVCSY-CYBMUJFWSA-N 1 0 349.431 3.173 20 5 EGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1cnn(CC2CCC2)c1 ZINC000903240072 1317680114 /nfs/dbraw/zinc/68/01/14/1317680114.db2.gz NZBCDJXILDKPQG-ZDUSSCGKSA-N 1 0 346.406 3.451 20 5 EGBDRO C[N@@H+](Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C[C@H]1CCC[C@H]1O ZINC000809965621 1317925750 /nfs/dbraw/zinc/92/57/50/1317925750.db2.gz JDNSEZPNTZAVFC-NOZJJQNGSA-N 1 0 333.215 3.494 20 5 EGBDRO C[C@H](C(=O)O[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc([N+](=O)[O-])cc1F ZINC000810849044 1318066760 /nfs/dbraw/zinc/06/67/60/1318066760.db2.gz ZGPDZKKRBZIZLS-SCRDCRAPSA-N 1 0 336.363 3.007 20 5 EGBDRO CSc1ccc(C(=O)O[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000810850429 1318066979 /nfs/dbraw/zinc/06/69/79/1318066979.db2.gz DVHJYUCXTOPVJU-OLZOCXBDSA-N 1 0 336.413 3.100 20 5 EGBDRO Cc1cc(C[NH3+])cc(NC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC000906633700 1318130989 /nfs/dbraw/zinc/13/09/89/1318130989.db2.gz IVCYAQFTQGYVLX-DLBZAZTESA-N 1 0 325.368 3.104 20 5 EGBDRO CC(C)(O)[C@@H]1CCC[N@@H+]1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000930062205 1328775434 /nfs/dbraw/zinc/77/54/34/1328775434.db2.gz UMQOQIKCAZUMSY-ZDUSSCGKSA-N 1 0 343.221 3.093 20 5 EGBDRO C[C@H]1CN(c2c(F)cc([N+](=O)[O-])cc2F)CC[N@@H+](C2CCC2)C1 ZINC000813630128 1318610007 /nfs/dbraw/zinc/61/00/07/1318610007.db2.gz HWZQZMCMXYPHSS-LLVKDONJSA-N 1 0 325.359 3.184 20 5 EGBDRO C[C@@H]([NH2+]CCc1ccc(F)c(F)c1F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815615131 1319028796 /nfs/dbraw/zinc/02/87/96/1319028796.db2.gz JFRUCSHOVHEVKI-SECBINFHSA-N 1 0 339.317 3.488 20 5 EGBDRO Cc1ccc([C@H](O)[C@@H](C)[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000815625395 1319030431 /nfs/dbraw/zinc/03/04/31/1319030431.db2.gz BWILXPSKFAUTKR-VEVIJQCQSA-N 1 0 329.400 3.258 20 5 EGBDRO C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2F)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815629146 1319031910 /nfs/dbraw/zinc/03/19/10/1319031910.db2.gz VLWAUMZQWPQHSY-TZMCWYRMSA-N 1 0 344.390 3.246 20 5 EGBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)C1CCC=CCC1 ZINC001023100583 1319262144 /nfs/dbraw/zinc/26/21/44/1319262144.db2.gz RKNFZJGVMSSNNF-CALCHBBNSA-N 1 0 343.427 3.078 20 5 EGBDRO CCc1cccc2c1OCC[C@H]2[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818997902 1319610671 /nfs/dbraw/zinc/61/06/71/1319610671.db2.gz NQPPDUVMMGWODA-QZTJIDSGSA-N 1 0 342.395 3.304 20 5 EGBDRO CC(C)(C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000819015551 1319614850 /nfs/dbraw/zinc/61/48/50/1319614850.db2.gz JXLVORSDQRBTRE-QGZVFWFLSA-N 1 0 332.375 3.335 20 5 EGBDRO CC(C)[C@H](CNC[C@@H](O)c1ccc([N+](=O)[O-])cc1)[NH+]1CCCCCC1 ZINC000819017270 1319615400 /nfs/dbraw/zinc/61/54/00/1319615400.db2.gz FWXXQNRESHUPTJ-RBUKOAKNSA-N 1 0 349.475 3.118 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@@H]2CCc3ccccc3C2)c1 ZINC000819082152 1319630846 /nfs/dbraw/zinc/63/08/46/1319630846.db2.gz RPMQOFTZHNFCGM-KUHUBIRLSA-N 1 0 326.396 3.023 20 5 EGBDRO CC(C)(C)[C@@H]1OCCC[C@H]1C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819082278 1319631182 /nfs/dbraw/zinc/63/11/82/1319631182.db2.gz WMXRZJUAUPDARI-BHYGNILZSA-N 1 0 336.432 3.059 20 5 EGBDRO Cc1ccc(NCCC[NH2+]C[C@@H](O)c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000819093812 1319633454 /nfs/dbraw/zinc/63/34/54/1319633454.db2.gz YQMDBRUELAKLKQ-GOSISDBHSA-N 1 0 347.390 3.168 20 5 EGBDRO CSc1ccc(F)cc1C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819127775 1319641860 /nfs/dbraw/zinc/64/18/60/1319641860.db2.gz KNFXCDJJNHMTJN-OAHLLOKOSA-N 1 0 336.388 3.279 20 5 EGBDRO CC(C)[C@@H](C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC000819139644 1319646611 /nfs/dbraw/zinc/64/66/11/1319646611.db2.gz FVFLIURXGAMQCB-MSOLQXFVSA-N 1 0 329.400 3.053 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H]2COc3ccc(Cl)cc32)c1 ZINC000819161362 1319653904 /nfs/dbraw/zinc/65/39/04/1319653904.db2.gz FSRGLEXZDMXWEQ-GJZGRUSLSA-N 1 0 334.759 3.005 20 5 EGBDRO Cc1cc(CC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)ccc1Cl ZINC000819322730 1319696861 /nfs/dbraw/zinc/69/68/61/1319696861.db2.gz HYUSIBXEVKLHTL-KRWDZBQOSA-N 1 0 334.803 3.422 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2C[C@H](c3ccc(F)cc3)C2)c1 ZINC000819330657 1319699899 /nfs/dbraw/zinc/69/98/99/1319699899.db2.gz YMRGTHGNYUIZNH-QGPMSJSTSA-N 1 0 330.359 3.303 20 5 EGBDRO CC[NH+]1CCC(CCNC(=O)c2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000820283312 1319862109 /nfs/dbraw/zinc/86/21/09/1319862109.db2.gz ISRVGTIIUXFBFX-UHFFFAOYSA-N 1 0 333.432 3.063 20 5 EGBDRO CN(C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)C(C)(C)C[NH+]1CCCC1 ZINC000822952774 1320140336 /nfs/dbraw/zinc/14/03/36/1320140336.db2.gz NKZPHMHUOSBCMM-IAGOWNOFSA-N 1 0 345.443 3.031 20 5 EGBDRO CCC[N@H+](CC)CCNC(=O)c1cc(Cl)c(C)cc1[N+](=O)[O-] ZINC000836736228 1320527865 /nfs/dbraw/zinc/52/78/65/1320527865.db2.gz WZJWNZHFLVRZHS-UHFFFAOYSA-N 1 0 327.812 3.018 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1C(=O)OC[C@H]1CCCC[N@@H+]1C(C)C ZINC000837356179 1320603466 /nfs/dbraw/zinc/60/34/66/1320603466.db2.gz NGHNCQZMGCKPDZ-CQSZACIVSA-N 1 0 336.388 3.023 20 5 EGBDRO COc1c(C(=O)OC[C@@H]2CCCC[N@@H+]2C(C)C)cccc1[N+](=O)[O-] ZINC000837699858 1320669718 /nfs/dbraw/zinc/66/97/18/1320669718.db2.gz QBCMLHWGESRCRG-ZDUSSCGKSA-N 1 0 336.388 3.023 20 5 EGBDRO CCOCC(C)(C)[NH2+]Cc1cc([N+](=O)[O-])ccc1Br ZINC000930576620 1328903090 /nfs/dbraw/zinc/90/30/90/1328903090.db2.gz FHDAELDWMTYECK-UHFFFAOYSA-N 1 0 331.210 3.262 20 5 EGBDRO O=[N+]([O-])c1ccc(Cl)c(CNc2ccc3c(c2)C[NH2+]CCO3)c1 ZINC000841076394 1321214906 /nfs/dbraw/zinc/21/49/06/1321214906.db2.gz HKQKORPMQNBDRN-UHFFFAOYSA-N 1 0 333.775 3.342 20 5 EGBDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841102389 1321218762 /nfs/dbraw/zinc/21/87/62/1321218762.db2.gz BCVVYXPSRTUQKQ-LBPRGKRZSA-N 1 0 328.800 3.085 20 5 EGBDRO CC(C)(C)[S@](=O)CC[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000841765217 1321308896 /nfs/dbraw/zinc/30/88/96/1321308896.db2.gz VKNVOHWAMVBPQP-WAIKUNEKSA-N 1 0 338.473 3.499 20 5 EGBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)c1nc([C@H]2CCC[NH2+]C2)no1 ZINC000842663976 1321414620 /nfs/dbraw/zinc/41/46/20/1321414620.db2.gz PTDLPBXSIDENQV-MNOVXSKESA-N 1 0 334.401 3.298 20 5 EGBDRO CC[NH+](CC)Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)o1 ZINC000843024060 1321458428 /nfs/dbraw/zinc/45/84/28/1321458428.db2.gz QHFVMIXTTBNEEU-UHFFFAOYSA-N 1 0 335.335 3.421 20 5 EGBDRO CC(C)(C)[N@@H+]1CC[C@@H]1COC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000845734846 1321737846 /nfs/dbraw/zinc/73/78/46/1321737846.db2.gz UHYODJGAXHGAIR-CQSZACIVSA-N 1 0 345.399 3.035 20 5 EGBDRO CC(C)(C)OC(=O)NCCC1CC([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000845948906 1321758097 /nfs/dbraw/zinc/75/80/97/1321758097.db2.gz DDKILFACEQBCLS-UHFFFAOYSA-N 1 0 349.431 3.378 20 5 EGBDRO C[C@](O)(CC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccccc1 ZINC000848547423 1321973674 /nfs/dbraw/zinc/97/36/74/1321973674.db2.gz NRCLHDHDXQTDEF-MJGOQNOKSA-N 1 0 326.396 3.470 20 5 EGBDRO CCOC(=O)NC1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000850465143 1322252944 /nfs/dbraw/zinc/25/29/44/1322252944.db2.gz VEUXTWWLEHZXIW-UHFFFAOYSA-N 1 0 335.404 3.050 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCCO[C@H]1CCCCO1 ZINC000922232449 1322484183 /nfs/dbraw/zinc/48/41/83/1322484183.db2.gz HZILIFRTYRREQS-KRWDZBQOSA-N 1 0 338.404 3.016 20 5 EGBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N(C)[C@H]1CCC[N@H+](C)C1 ZINC000931625928 1329156476 /nfs/dbraw/zinc/15/64/76/1329156476.db2.gz KUNNNKKLFZKXKR-NSHDSACASA-N 1 0 340.811 3.115 20 5 EGBDRO CN(CCc1ccccc1[N+](=O)[O-])Cn1ncc(Cl)c1C1CC1 ZINC000853512244 1325110678 /nfs/dbraw/zinc/11/06/78/1325110678.db2.gz AGDXLQUCDQGWNL-UHFFFAOYSA-N 1 0 334.807 3.454 20 5 EGBDRO C[NH+](C)CC1CN(c2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000853651659 1325140857 /nfs/dbraw/zinc/14/08/57/1325140857.db2.gz KFKXVBZPOLIIKS-UHFFFAOYSA-N 1 0 337.729 3.265 20 5 EGBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000854650119 1325289740 /nfs/dbraw/zinc/28/97/40/1325289740.db2.gz NFWHJNLDWAEEQL-PELKAZGASA-N 1 0 346.214 3.066 20 5 EGBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000855813329 1325419483 /nfs/dbraw/zinc/41/94/83/1325419483.db2.gz ZJEYRTMWQMNOHF-CYBMUJFWSA-N 1 0 349.406 3.179 20 5 EGBDRO CC(C)n1cc([C@@H](C)[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])nn1 ZINC000926112838 1325433898 /nfs/dbraw/zinc/43/38/98/1325433898.db2.gz HAVFMBHLGNRCLV-LLVKDONJSA-N 1 0 337.811 3.314 20 5 EGBDRO C[NH+](C)C[C@H]1CCCN(c2cccc(Br)c2[N+](=O)[O-])C1 ZINC000856727100 1325514762 /nfs/dbraw/zinc/51/47/62/1325514762.db2.gz WQVIGOIPLGDJPI-LLVKDONJSA-N 1 0 342.237 3.135 20 5 EGBDRO Cn1nc(C2CC2)cc1C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000927100583 1327862157 /nfs/dbraw/zinc/86/21/57/1327862157.db2.gz YZQVAYJQWUNYGO-KRWDZBQOSA-N 1 0 340.427 3.317 20 5 EGBDRO C[N@@H+]1CCCC[C@@H]1CCOC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000927508407 1328046193 /nfs/dbraw/zinc/04/61/93/1328046193.db2.gz XMSCCLPQZAFIIR-GFCCVEGCSA-N 1 0 331.372 3.107 20 5 EGBDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000862209606 1329466016 /nfs/dbraw/zinc/46/60/16/1329466016.db2.gz VMMWJGCIQCPTCZ-LBPRGKRZSA-N 1 0 339.823 3.098 20 5 EGBDRO Cc1noc(CN2CCC[C@H]2COc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000933927191 1329933850 /nfs/dbraw/zinc/93/38/50/1329933850.db2.gz LROXMBZISMIFEL-ZDUSSCGKSA-N 1 0 335.335 3.074 20 5 EGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC000866224319 1330080542 /nfs/dbraw/zinc/08/05/42/1330080542.db2.gz ZBZQYPDFMJEUGX-GTNSWQLSSA-N 1 0 336.338 3.127 20 5 EGBDRO Cc1ccc([C@H](O)C[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])cc1 ZINC000866238928 1330083436 /nfs/dbraw/zinc/08/34/36/1330083436.db2.gz RVSMSNNQISZJAJ-FZKQIMNGSA-N 1 0 332.375 3.297 20 5 EGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H](CO)Cc1ccccc1 ZINC000866243111 1330084646 /nfs/dbraw/zinc/08/46/46/1330084646.db2.gz GBCLZSQOMDXAPS-GDBMZVCRSA-N 1 0 346.402 3.106 20 5 EGBDRO Cc1ccc2nc(C[NH2+][C@@H](C)Cc3ccc(F)cc3[N+](=O)[O-])cn2c1 ZINC000866260530 1330086746 /nfs/dbraw/zinc/08/67/46/1330086746.db2.gz VAAYASYDIZGAAD-ZDUSSCGKSA-N 1 0 342.374 3.411 20 5 EGBDRO Cc1ccccc1[C@H](O)C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866265236 1330087405 /nfs/dbraw/zinc/08/74/05/1330087405.db2.gz JDZUZPAVGNVXLW-SCLBCKFNSA-N 1 0 332.375 3.297 20 5 EGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000866273338 1330089022 /nfs/dbraw/zinc/08/90/22/1330089022.db2.gz KDNUZQIQOWEWCR-MDNXKNQGSA-N 1 0 336.407 3.458 20 5 EGBDRO C[C@@H]([NH2+]Cc1cc2c([nH]c1=O)CCCC2)c1ccc([N+](=O)[O-])cc1 ZINC000866639829 1330136857 /nfs/dbraw/zinc/13/68/57/1330136857.db2.gz AVCJIVDQHAHDEQ-GFCCVEGCSA-N 1 0 327.384 3.425 20 5 EGBDRO CC1(C(=O)N[C@H]2CC[C@H]([NH2+]Cc3ccccc3[N+](=O)[O-])CC2)CCC1 ZINC001034710000 1342706475 /nfs/dbraw/zinc/70/64/75/1342706475.db2.gz XEZKRBBKTGJUBV-WKILWMFISA-N 1 0 345.443 3.302 20 5 EGBDRO CC(C)(C)/C=C\C(=O)N1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001199846439 1369280259 /nfs/dbraw/zinc/28/02/59/1369280259.db2.gz ANTCRXIUUPZFOG-FLIBITNWSA-N 1 0 345.443 3.278 20 5 EGBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCCC[C@H]1[NH+](C)C ZINC001325531491 1387998194 /nfs/dbraw/zinc/99/81/94/1387998194.db2.gz XEUBEKCLTOKUOY-BPQIPLTHSA-N 1 0 347.459 3.153 20 5 EGBDRO COc1cccc(CC[NH+]2CCCC2)c1Nc1ccc([N+](=O)[O-])nc1 ZINC001203574619 1370175724 /nfs/dbraw/zinc/17/57/24/1370175724.db2.gz CGHXFYGDFVDHJA-UHFFFAOYSA-N 1 0 342.399 3.380 20 5 EGBDRO C/C=C(/C)C(=O)NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCCCC1 ZINC001115472881 1370478804 /nfs/dbraw/zinc/47/88/04/1370478804.db2.gz GGZOCHUEOKHIFM-CQPUUCJISA-N 1 0 345.443 3.470 20 5 EGBDRO C/C=C(/C)C(=O)NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC001115472971 1370478943 /nfs/dbraw/zinc/47/89/43/1370478943.db2.gz IZGYZXDGWHWFOF-CQPUUCJISA-N 1 0 345.443 3.470 20 5 EGBDRO CCCC1CC[NH+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC001116333563 1370888479 /nfs/dbraw/zinc/88/84/79/1370888479.db2.gz LSKDFGOISQEBSF-UHFFFAOYSA-N 1 0 349.431 3.444 20 5 EGBDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC001116753145 1370967842 /nfs/dbraw/zinc/96/78/42/1370967842.db2.gz MWGHRDRMGJOPPS-ORQFMDKSSA-N 1 0 346.427 3.237 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001210444101 1372354466 /nfs/dbraw/zinc/35/44/66/1372354466.db2.gz FCCIOBAEEOZJDW-UHFFFAOYSA-N 1 0 342.399 3.099 20 5 EGBDRO CC[NH+](CC)CC[C@@H](C)NC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC001124133007 1372679031 /nfs/dbraw/zinc/67/90/31/1372679031.db2.gz FWRGOLXDPIPBTJ-GFCCVEGCSA-N 1 0 339.461 3.167 20 5 EGBDRO Cc1ccc(Nc2cccc(CN3CC[NH+](C)CC3)c2)c([N+](=O)[O-])c1 ZINC001214173618 1373019450 /nfs/dbraw/zinc/01/94/50/1373019450.db2.gz ALCJCRRHLODCBL-UHFFFAOYSA-N 1 0 340.427 3.394 20 5 EGBDRO [NH3+][C@H](Cc1nnc(CC2CCCCC2)o1)c1cccc([N+](=O)[O-])c1 ZINC001217732825 1373496598 /nfs/dbraw/zinc/49/65/98/1373496598.db2.gz GLRXSYRPNYNTKG-OAHLLOKOSA-N 1 0 330.388 3.343 20 5 EGBDRO Cc1cc(O[C@@H]2CCC[NH2+]C[C@H]2F)c([N+](=O)[O-])cc1Br ZINC001217950113 1373516692 /nfs/dbraw/zinc/51/66/92/1373516692.db2.gz OYJVMPULOFUYDR-ZYHUDNBSSA-N 1 0 347.184 3.135 20 5 EGBDRO O=[N+]([O-])c1ccc(/C=C/c2ccc(O[C@H]3C[NH2+]CCOC3)cc2)cc1 ZINC001218045274 1373547101 /nfs/dbraw/zinc/54/71/01/1373547101.db2.gz OYZIRCNQELNVHO-SNDJDQCESA-N 1 0 340.379 3.132 20 5 EGBDRO C[C@H]1C[C@H](Oc2cc([N+](=O)[O-])cc(F)c2Br)CC[NH2+]1 ZINC001218053140 1373548216 /nfs/dbraw/zinc/54/82/16/1373548216.db2.gz OIMREMDIQPEQQM-IONNQARKSA-N 1 0 333.157 3.016 20 5 EGBDRO O=[N+]([O-])c1ccc(Br)cc1O[C@H]1CCC12CC[NH2+]CC2 ZINC001218078900 1373555312 /nfs/dbraw/zinc/55/53/12/1373555312.db2.gz DMXRRDIPFFMLPS-ZDUSSCGKSA-N 1 0 341.205 3.268 20 5 EGBDRO O=[N+]([O-])c1cc(O[C@@H]2CCC23CC[NH2+]CC3)ccc1Br ZINC001218078822 1373555548 /nfs/dbraw/zinc/55/55/48/1373555548.db2.gz DBPRIFSVBGWNFT-CYBMUJFWSA-N 1 0 341.205 3.268 20 5 EGBDRO C[NH2+][C@H]1CC[C@H](Oc2cc([N+](=O)[O-])ccc2Br)CC1 ZINC001218187184 1373574900 /nfs/dbraw/zinc/57/49/00/1373574900.db2.gz KNRUJUSBZNORLM-HOMQSWHASA-N 1 0 329.194 3.267 20 5 EGBDRO Cc1cc(Br)c(O[C@H]2CC[NH2+]CC2(C)C)cc1[N+](=O)[O-] ZINC001218318138 1373595047 /nfs/dbraw/zinc/59/50/47/1373595047.db2.gz XESMNGPEMXZDMG-ZDUSSCGKSA-N 1 0 343.221 3.433 20 5 EGBDRO CCc1c(Cl)cc([N+](=O)[O-])c(O[C@@H]2C[C@@H]3C[NH2+]C[C@@H]23)c1Cl ZINC001218325972 1373597057 /nfs/dbraw/zinc/59/70/57/1373597057.db2.gz NKJCIVZIHIHVMT-JWKOBGCHSA-N 1 0 331.199 3.451 20 5 EGBDRO C[C@H]1CC[C@H](Oc2c3ccccc3c([N+](=O)[O-])cc2[N+](=O)[O-])C[NH2+]1 ZINC001218409143 1373609696 /nfs/dbraw/zinc/60/96/96/1373609696.db2.gz WZSGRIZRFVUZCU-QWRGUYRKSA-N 1 0 331.328 3.176 20 5 EGBDRO CC1(C)C[C@@H](Oc2cc(F)c(Br)cc2[N+](=O)[O-])CC[NH2+]1 ZINC001218476370 1373621152 /nfs/dbraw/zinc/62/11/52/1373621152.db2.gz QHHHUEOTLXEQHJ-QMMMGPOBSA-N 1 0 347.184 3.406 20 5 EGBDRO Cn1ccnc1NC(=O)[C@@H]([NH3+])Cc1c2ccccc2cc2ccccc21 ZINC001218498084 1373627384 /nfs/dbraw/zinc/62/73/84/1373627384.db2.gz RVQQDOOWSLQPRP-IBGZPJMESA-N 1 0 344.418 3.235 20 5 EGBDRO O=[N+]([O-])c1ccc(O[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nc1 ZINC001225634977 1375136290 /nfs/dbraw/zinc/13/62/90/1375136290.db2.gz UCCRYKINAFFAAE-RYQLBKOJSA-N 1 0 339.395 3.279 20 5 EGBDRO Cc1ccnc(O[C@H]2CCC[N@@H+]([C@@H](C)c3ccccn3)C2)c1[N+](=O)[O-] ZINC001226118226 1375206760 /nfs/dbraw/zinc/20/67/60/1375206760.db2.gz JAFFZARHVTVAEA-GJZGRUSLSA-N 1 0 342.399 3.298 20 5 EGBDRO COCC[NH+]1CCC(Oc2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC1 ZINC001226301873 1375235779 /nfs/dbraw/zinc/23/57/79/1375235779.db2.gz AIXNAYGJBZWPOK-UHFFFAOYSA-N 1 0 348.321 3.103 20 5 EGBDRO C[N@@H+]1[C@@H]2C[C@H](Oc3ccc4c(c3)oc(=O)c3ccccc43)[C@H]1CC(=O)C2 ZINC001226515405 1375272635 /nfs/dbraw/zinc/27/26/35/1375272635.db2.gz SNFCVASZRWVJQT-UOXRKKOCSA-N 1 0 349.386 3.129 20 5 EGBDRO O=[N+]([O-])c1cccc2oc(O[C@@H]3CC[N@H+](Cc4ccccc4)C3)nc21 ZINC001227237351 1375409986 /nfs/dbraw/zinc/40/99/86/1375409986.db2.gz TZXACNPAFFRQFC-CQSZACIVSA-N 1 0 339.351 3.389 20 5 EGBDRO CC[NH+]1CCC(Oc2ncnc3cc(Cl)c([N+](=O)[O-])cc32)CC1 ZINC001227364102 1375422806 /nfs/dbraw/zinc/42/28/06/1375422806.db2.gz KPSMVUZIYKIGMW-UHFFFAOYSA-N 1 0 336.779 3.055 20 5 EGBDRO O=[N+]([O-])c1cncc(O[C@H]2CC[N@H+](Cc3ccccc3Cl)C2)c1 ZINC001227990245 1375498910 /nfs/dbraw/zinc/49/89/10/1375498910.db2.gz HRVYZYSBNDLXTJ-AWEZNQCLSA-N 1 0 333.775 3.297 20 5 EGBDRO O=[N+]([O-])c1c(Cl)ccnc1OC1CCN(c2cc[nH+]cc2)CC1 ZINC001228017980 1375504005 /nfs/dbraw/zinc/50/40/05/1375504005.db2.gz SWEQXBCHWAKLPV-UHFFFAOYSA-N 1 0 334.763 3.086 20 5 EGBDRO O=[N+]([O-])c1ccc(O[C@H]2CC[N@H+](Cc3ccccc3)C2)nc1Cl ZINC001228935548 1375721964 /nfs/dbraw/zinc/72/19/64/1375721964.db2.gz DTPKGYSGOWBJNX-ZDUSSCGKSA-N 1 0 333.775 3.297 20 5 EGBDRO O=[N+]([O-])/C=C/c1ccc(OC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC001229113857 1375766692 /nfs/dbraw/zinc/76/66/92/1375766692.db2.gz GFHJHLXPXUWPCU-VGOFMYFVSA-N 1 0 325.368 3.377 20 5 EGBDRO CC[NH+](CC)C[C@@H](C)Oc1cc(Br)cc([N+](=O)[O-])c1 ZINC001229144534 1375774537 /nfs/dbraw/zinc/77/45/37/1375774537.db2.gz FPZHQGVIAVBMDR-SNVBAGLBSA-N 1 0 331.210 3.466 20 5 EGBDRO Cc1cc(F)cc([N+](=O)[O-])c1OC[C@H]1CCC2(CC[NH+](C)CC2)O1 ZINC001229199801 1375785803 /nfs/dbraw/zinc/78/58/03/1375785803.db2.gz ZSUPAIJFWAXFMV-CQSZACIVSA-N 1 0 338.379 3.065 20 5 EGBDRO O=[N+]([O-])c1cc([N+](=O)[O-])c(O[C@H]2C[NH+]3CCC2CC3)c2ccccc21 ZINC001229424819 1375831041 /nfs/dbraw/zinc/83/10/41/1375831041.db2.gz RNBLGKXCVRZKAS-INIZCTEOSA-N 1 0 343.339 3.129 20 5 EGBDRO Cc1ccc(C(=O)NCCC[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)s1 ZINC001231301535 1376224473 /nfs/dbraw/zinc/22/44/73/1376224473.db2.gz WZYSQDRASGVDOX-UHFFFAOYSA-N 1 0 347.440 3.217 20 5 EGBDRO CC(=O)N1CCC[C@@H]([N@H+](C)Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232228292 1376419368 /nfs/dbraw/zinc/41/93/68/1376419368.db2.gz OBVHHVIINSDRPM-LJQANCHMSA-N 1 0 348.450 3.226 20 5 EGBDRO COC(=O)[C@]1(C)CC[N@H+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232228643 1376419380 /nfs/dbraw/zinc/41/93/80/1376419380.db2.gz SUTUCFJQNLNTOY-HXUWFJFHSA-N 1 0 335.407 3.168 20 5 EGBDRO CC[C@H]1CC[C@H](C(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC001148502202 1379194636 /nfs/dbraw/zinc/19/46/36/1379194636.db2.gz WHAOYHAYDIMLER-MQMHXKEQSA-N 1 0 339.461 3.079 20 5 EGBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1sccc1C1CC1 ZINC001150033875 1379487076 /nfs/dbraw/zinc/48/70/76/1379487076.db2.gz BZYNQMAKTFDKER-UHFFFAOYSA-N 1 0 345.424 3.053 20 5 EGBDRO CC(C)(C)C12CC(C(=O)NCC[NH2+]Cc3ccccc3[N+](=O)[O-])(C1)C2 ZINC001152970595 1380000466 /nfs/dbraw/zinc/00/04/66/1380000466.db2.gz XOIORVGOPYJLDX-UHFFFAOYSA-N 1 0 345.443 3.017 20 5 EGBDRO CC(C)N(C(=O)c1cccc2nc3ccccc3nc21)C(C)(C)C[NH3+] ZINC001153871006 1380147708 /nfs/dbraw/zinc/14/77/08/1380147708.db2.gz BZBPSTCAJGWHFX-UHFFFAOYSA-N 1 0 336.439 3.371 20 5 EGBDRO [NH3+]CCN(c1cccc2ccccc21)c1ncc(F)cc1[N+](=O)[O-] ZINC001154679525 1380330525 /nfs/dbraw/zinc/33/05/25/1380330525.db2.gz FTOJKPVRBICZSM-UHFFFAOYSA-N 1 0 326.331 3.379 20 5 EGBDRO Cc1ccc(-c2ccc(N[C@@H]3CCC[C@H]([NH3+])C3)nn2)cc1[N+](=O)[O-] ZINC001154987774 1380385834 /nfs/dbraw/zinc/38/58/34/1380385834.db2.gz NUDUJRDGKUVXHA-UONOGXRCSA-N 1 0 327.388 3.042 20 5 EGBDRO [NH3+][C@@H]1Cc2ccccc2N(c2nc(Cl)c(Cl)cc2[N+](=O)[O-])C1 ZINC001155297234 1380434506 /nfs/dbraw/zinc/43/45/06/1380434506.db2.gz AHVQWTSYTCYBLA-SECBINFHSA-N 1 0 339.182 3.318 20 5 EGBDRO CC(C)Oc1nc(N[C@@H]2CC[NH2+][C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC001155552959 1380467579 /nfs/dbraw/zinc/46/75/79/1380467579.db2.gz IHRPGJNMBZQTNS-PBHICJAKSA-N 1 0 342.399 3.292 20 5 EGBDRO O=[N+]([O-])c1cccc2ccc(N[C@@H]3C[NH2+]Cc4ccsc43)nc21 ZINC001155561296 1380468960 /nfs/dbraw/zinc/46/89/60/1380468960.db2.gz LUDJQFHQAVLLDE-GFCCVEGCSA-N 1 0 326.381 3.461 20 5 EGBDRO O=C(NCCC[NH2+]Cc1csc([N+](=O)[O-])c1)C1CCCCCC1 ZINC001155572862 1380469770 /nfs/dbraw/zinc/46/97/70/1380469770.db2.gz KRFSLSRXMQXPFP-UHFFFAOYSA-N 1 0 339.461 3.223 20 5 EGBDRO c1cnc2c(c1)ccc1ccc(N[C@@H]3CCO[C@@]4(CC[NH2+]C4)C3)nc12 ZINC001155617470 1380474448 /nfs/dbraw/zinc/47/44/48/1380474448.db2.gz IUTOCBUUZDYFHY-UZLBHIALSA-N 1 0 334.423 3.106 20 5 EGBDRO O=[N+]([O-])c1c(Cl)ccnc1N(Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC001157426344 1380882540 /nfs/dbraw/zinc/88/25/40/1380882540.db2.gz POROEZHUQDFARX-CQSZACIVSA-N 1 0 346.818 3.402 20 5 EGBDRO Cc1nc(N(Cc2ccccc2)[C@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC001157426615 1380886160 /nfs/dbraw/zinc/88/61/60/1380886160.db2.gz SUWRHAAFBWJBTK-INIZCTEOSA-N 1 0 326.400 3.057 20 5 EGBDRO O=[N+]([O-])c1cnc(N2CCCC[C@]23CCC[NH2+]C3)c2ccccc21 ZINC001157472280 1380924391 /nfs/dbraw/zinc/92/43/91/1380924391.db2.gz VQTZLSGJPRGLPL-GOSISDBHSA-N 1 0 326.400 3.256 20 5 EGBDRO CCC[NH+]1C[C@@H]2CN(c3cc(C)c4cc([N+](=O)[O-])ccc4n3)C[C@H]2C1 ZINC001157692965 1381004400 /nfs/dbraw/zinc/00/44/00/1381004400.db2.gz ZYYMLSUSXICXAH-HUUCEWRRSA-N 1 0 340.427 3.229 20 5 EGBDRO CSc1nc(Cl)nc(N[C@H]2CCCC[C@@H]2[NH+](C)C)c1[N+](=O)[O-] ZINC001157796523 1381035729 /nfs/dbraw/zinc/03/57/29/1381035729.db2.gz BTRXWAYZUVTZEM-IUCAKERBSA-N 1 0 345.856 3.045 20 5 EGBDRO [NH3+]CCCc1nc2ccc(Cl)cc2n1-c1ncc([N+](=O)[O-])cc1F ZINC001158137212 1381138786 /nfs/dbraw/zinc/13/87/86/1381138786.db2.gz QYWOXRKVJWFTLI-UHFFFAOYSA-N 1 0 349.753 3.013 20 5 EGBDRO CCN(c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1)[C@@H]1CCC[NH2+]C1 ZINC001158207191 1381159066 /nfs/dbraw/zinc/15/90/66/1381159066.db2.gz HVKBATUHIZKOLU-OAHLLOKOSA-N 1 0 344.390 3.374 20 5 EGBDRO COc1ccc2c(c1)c(CC[NH3+])c(C)n2-c1ncc(C)cc1[N+](=O)[O-] ZINC001158292181 1381187892 /nfs/dbraw/zinc/18/78/92/1381187892.db2.gz GQGZDHISGKSMMP-UHFFFAOYSA-N 1 0 340.383 3.060 20 5 EGBDRO CCOC(=O)c1c2c(sc1Nc1ccc([N+](=O)[O-])cc1)C[NH2+]CC2 ZINC001159204906 1381729435 /nfs/dbraw/zinc/72/94/35/1381729435.db2.gz GLFBKLRRDVUMIC-UHFFFAOYSA-N 1 0 347.396 3.222 20 5 EGBDRO Cc1ccc(Nc2cccnc2OC2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC001159241693 1381741603 /nfs/dbraw/zinc/74/16/03/1381741603.db2.gz BHXLGJURXRMLEL-UHFFFAOYSA-N 1 0 328.372 3.173 20 5 EGBDRO Cc1cc([N+](=O)[O-])cnc1N(CC[NH3+])C12CC3CC(CC(C3)C1)C2 ZINC001159538457 1381821923 /nfs/dbraw/zinc/82/19/23/1381821923.db2.gz VQXXUZTZLBACCG-UHFFFAOYSA-N 1 0 330.432 3.032 20 5 EGBDRO COc1ccc(Nc2ccccc2N2CCC[C@@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC001159981605 1381957739 /nfs/dbraw/zinc/95/77/39/1381957739.db2.gz FVSVNQFQUFIXKS-CYBMUJFWSA-N 1 0 342.399 3.275 20 5 EGBDRO Nc1ccc2n(-c3ccc4c(c3)CC[NH2+]C4)c3ccccc3cc-2c1=O ZINC001160006115 1381965879 /nfs/dbraw/zinc/96/58/79/1381965879.db2.gz QXXMKMNFZSEUMY-UHFFFAOYSA-N 1 0 341.414 3.323 20 5 EGBDRO Nc1c(F)cccc1N(CC1CC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1 ZINC001160079047 1381991301 /nfs/dbraw/zinc/99/13/01/1381991301.db2.gz IXTBTAVEFKJBRO-UHFFFAOYSA-N 1 0 344.390 3.454 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1Nc1cccc(F)c1N1CC[C@@H]([NH3+])C1 ZINC001160117348 1382002064 /nfs/dbraw/zinc/00/20/64/1382002064.db2.gz WCDUVTXXZGGERD-GFCCVEGCSA-N 1 0 330.363 3.323 20 5 EGBDRO COc1ccc(Nc2ccccc2O[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001160171227 1382023885 /nfs/dbraw/zinc/02/38/85/1382023885.db2.gz CUFCRFPUMWLJAW-CYBMUJFWSA-N 1 0 329.356 3.088 20 5 EGBDRO C[C@@H](CNc1ncnc2c(Cl)cc([N+](=O)[O-])cc12)[N@H+](C)C1CC1 ZINC001328519276 1388769674 /nfs/dbraw/zinc/76/96/74/1388769674.db2.gz SUCCLXFTUXMKBI-VIFPVBQESA-N 1 0 335.795 3.086 20 5 EGBDRO [NH3+]CCc1cccc(Nc2cc3ncnc(Cl)c3cc2[N+](=O)[O-])c1 ZINC001161078366 1382292268 /nfs/dbraw/zinc/29/22/68/1382292268.db2.gz DJKSCIJXGOKFMI-UHFFFAOYSA-N 1 0 343.774 3.436 20 5 EGBDRO O=[N+]([O-])c1ccnc(N[C@H]2CC[N@H+](Cc3cccc(Cl)c3)C2)c1 ZINC001161183228 1382330806 /nfs/dbraw/zinc/33/08/06/1382330806.db2.gz ROJRFYJRXPGXKY-AWEZNQCLSA-N 1 0 332.791 3.330 20 5 EGBDRO CC(C)(C)C[NH+]1CCC(Nc2cnc3ccc([N+](=O)[O-])cc3n2)CC1 ZINC001161207346 1382341874 /nfs/dbraw/zinc/34/18/74/1382341874.db2.gz MPQNZFIFYAVZCR-UHFFFAOYSA-N 1 0 343.431 3.460 20 5 EGBDRO Cc1cc([N+](=O)[O-])cnc1NCC1CC[NH+](Cc2ccccn2)CC1 ZINC001161241014 1382352237 /nfs/dbraw/zinc/35/22/37/1382352237.db2.gz OIEHDJBGTZGEMK-UHFFFAOYSA-N 1 0 341.415 3.017 20 5 EGBDRO CC(C)Oc1nc(N2CCC([NH3+])(CC3CCC3)CC2)ccc1[N+](=O)[O-] ZINC001161576406 1382444463 /nfs/dbraw/zinc/44/44/63/1382444463.db2.gz OMXJROZUSGPWMT-UHFFFAOYSA-N 1 0 348.447 3.265 20 5 EGBDRO CCc1ccc(C(=O)NCCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)s1 ZINC001161986498 1382589401 /nfs/dbraw/zinc/58/94/01/1382589401.db2.gz ZZHDSHMROCAQED-UHFFFAOYSA-N 1 0 347.440 3.128 20 5 EGBDRO CCC[C@@H](Nc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1)c1ccc(C)cc1 ZINC001162628356 1382815666 /nfs/dbraw/zinc/81/56/66/1382815666.db2.gz WFQUCDISBQKNCI-OAHLLOKOSA-N 1 0 341.415 3.333 20 5 EGBDRO [NH3+]C[C@@H]1Cc2ccccc2CN1c1ccc2ccc([N+](=O)[O-])cc2n1 ZINC001162740775 1382854367 /nfs/dbraw/zinc/85/43/67/1382854367.db2.gz QXVKPQSDGIVQCI-KRWDZBQOSA-N 1 0 334.379 3.033 20 5 EGBDRO COc1cc([N+](=O)[O-])c(-n2c3ccccc3nc2[C@@H](C)[NH3+])cc1F ZINC001162767183 1382865292 /nfs/dbraw/zinc/86/52/92/1382865292.db2.gz SSZSRMVGPCSSJT-SECBINFHSA-N 1 0 330.319 3.101 20 5 EGBDRO [NH3+][C@@H]1Cc2ccccc2N(c2ccc3cc(F)cc([N+](=O)[O-])c3n2)C1 ZINC001162847341 1382893522 /nfs/dbraw/zinc/89/35/22/1382893522.db2.gz NCFZLUHWVKYMSK-CQSZACIVSA-N 1 0 338.342 3.304 20 5 EGBDRO CCCC(C[NH3+])(CCC)Nc1nc(SC)nc(Cl)c1[N+](=O)[O-] ZINC001163035298 1382952518 /nfs/dbraw/zinc/95/25/18/1382952518.db2.gz KUNTZFRGPOENKS-UHFFFAOYSA-N 1 0 347.872 3.470 20 5 EGBDRO CC(C)N(C(C)(C)C[NH3+])C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1 ZINC001163187424 1382987628 /nfs/dbraw/zinc/98/76/28/1382987628.db2.gz YVVSJLOLLIPAPT-UHFFFAOYSA-N 1 0 336.770 3.140 20 5 EGBDRO COc1cccc([C@H](C[NH3+])Nc2ncc([N+](=O)[O-])c3ccccc32)c1 ZINC001163306876 1383017160 /nfs/dbraw/zinc/01/71/60/1383017160.db2.gz RVSLBXDAMVUHSV-INIZCTEOSA-N 1 0 338.367 3.264 20 5 EGBDRO c1ccc2cc3c(cc2c1)ncnc3N[C@@H]1CCO[C@]2(CC[NH2+]C2)C1 ZINC001163314548 1383019582 /nfs/dbraw/zinc/01/95/82/1383019582.db2.gz GQXKFVJLDVZZLN-OXQOHEQNSA-N 1 0 334.423 3.106 20 5 EGBDRO Cc1cc(Cl)nc(N[C@H]2CC[N@@H+](C(C)C)C[C@@H]2C)c1[N+](=O)[O-] ZINC001163361602 1383031086 /nfs/dbraw/zinc/03/10/86/1383031086.db2.gz JLZXNHRVTPWYCU-RYUDHWBXSA-N 1 0 326.828 3.482 20 5 EGBDRO CC(C)[N@@H+]1CC[C@@H](Nc2ncnc3cc([N+](=O)[O-])ccc32)[C@@H](C)C1 ZINC001163362864 1383031709 /nfs/dbraw/zinc/03/17/09/1383031709.db2.gz OMVZFHVQDNQILP-SWLSCSKDSA-N 1 0 329.404 3.069 20 5 EGBDRO O=C(NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C1(C2CCC2)CCC1 ZINC001163455167 1383055363 /nfs/dbraw/zinc/05/53/63/1383055363.db2.gz FBTGACSDSRNWEE-UHFFFAOYSA-N 1 0 345.443 3.161 20 5 EGBDRO CCCCC(=O)NCCC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001163464378 1383057449 /nfs/dbraw/zinc/05/74/49/1383057449.db2.gz GEYUDQLYIWMYDF-UHFFFAOYSA-N 1 0 333.432 3.161 20 5 EGBDRO COc1cnc(NC[C@@H](c2ccccc2)[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC001166890452 1383495121 /nfs/dbraw/zinc/49/51/21/1383495121.db2.gz ZVZXLCVNGBKWSH-INIZCTEOSA-N 1 0 342.399 3.247 20 5 EGBDRO C[C@@H]1CCCC[N@@H+]1CCCNc1ncnc2cc(F)c([N+](=O)[O-])cc21 ZINC001167751836 1383731100 /nfs/dbraw/zinc/73/11/00/1383731100.db2.gz PROQZEKXWITWSU-GFCCVEGCSA-N 1 0 347.394 3.354 20 5 EGBDRO [NH3+]CCc1cn(-c2cc(F)cc(F)c2[N+](=O)[O-])c2ccc(O)cc12 ZINC001167986685 1383788422 /nfs/dbraw/zinc/78/84/22/1383788422.db2.gz ZTKBOXGFCGHNCX-UHFFFAOYSA-N 1 0 333.294 3.024 20 5 EGBDRO COc1cc(C)c([N+](=O)[O-])cc1N1C[C@@H](CC[NH3+])c2ccccc21 ZINC001168550895 1383935343 /nfs/dbraw/zinc/93/53/43/1383935343.db2.gz XFYSDDNLMHBMRY-CYBMUJFWSA-N 1 0 327.384 3.496 20 5 EGBDRO CCOC(=O)c1cc(N[C@H]2CCCC[C@@H]2[NH+](C)C)ccc1[N+](=O)[O-] ZINC001168602293 1383946464 /nfs/dbraw/zinc/94/64/64/1383946464.db2.gz JQFQMWXOHDSEGG-HOCLYGCPSA-N 1 0 335.404 3.056 20 5 EGBDRO CC(C)(C)C(=O)Oc1ccc(CC[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001168955508 1384070950 /nfs/dbraw/zinc/07/09/50/1384070950.db2.gz BBLZSWSSGNJEQJ-HZPDHXFCSA-N 1 0 348.443 3.216 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2cc(OC(F)(F)F)ccc2F)C1 ZINC001168968802 1384073773 /nfs/dbraw/zinc/07/37/73/1384073773.db2.gz AKYYSPOTQPBUMF-GXSJLCMTSA-N 1 0 336.285 3.259 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2cc(Br)ccc2F)C1 ZINC001168972814 1384075034 /nfs/dbraw/zinc/07/50/34/1384075034.db2.gz BLZRMOJWIXIHHW-BXKDBHETSA-N 1 0 331.185 3.123 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H](c2cccc(F)c2)C2CCOCC2)C1 ZINC001168986112 1384079355 /nfs/dbraw/zinc/07/93/55/1384079355.db2.gz VXCCPUZIZPACAS-JEBQAFNWSA-N 1 0 336.407 3.328 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2ccc(Br)c(Cl)n2)C1 ZINC001168983664 1384079617 /nfs/dbraw/zinc/07/96/17/1384079617.db2.gz KIXFNFXZLKCEJA-DTWKUNHWSA-N 1 0 348.628 3.033 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2ccc(Br)c(Cl)n2)C1 ZINC001168983662 1384079651 /nfs/dbraw/zinc/07/96/51/1384079651.db2.gz KIXFNFXZLKCEJA-BDAKNGLRSA-N 1 0 348.628 3.033 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]C2(c3ccccc3Cl)CCOCC2)C1 ZINC001168990660 1384080056 /nfs/dbraw/zinc/08/00/56/1384080056.db2.gz CZGXLXNECOCKLQ-KBPBESRZSA-N 1 0 338.835 3.381 20 5 EGBDRO CC(C)C[C@@H](CC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168986861 1384080198 /nfs/dbraw/zinc/08/01/98/1384080198.db2.gz FNLPVIJXJAFZBP-ZNMIVQPWSA-N 1 0 328.453 3.168 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2c(F)cc(Br)cc2F)C1 ZINC001168991327 1384080835 /nfs/dbraw/zinc/08/08/35/1384080835.db2.gz GIEBVPQQQCJOTC-SCZZXKLOSA-N 1 0 349.175 3.262 20 5 EGBDRO COc1cccc(CC2(C[NH2+][C@@H]3CC[C@H](C[N+](=O)[O-])C3)CCC2)c1 ZINC001169000301 1384083844 /nfs/dbraw/zinc/08/38/44/1384083844.db2.gz XKQUMTWSSFEETE-DLBZAZTESA-N 1 0 332.444 3.443 20 5 EGBDRO COc1cccc(CC2(C[NH2+][C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CCC2)c1 ZINC001169000303 1384083946 /nfs/dbraw/zinc/08/39/46/1384083946.db2.gz XKQUMTWSSFEETE-IAGOWNOFSA-N 1 0 332.444 3.443 20 5 EGBDRO CN(C)C[C@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C12CC3CC(CC(C3)C1)C2 ZINC001169003127 1384085389 /nfs/dbraw/zinc/08/53/89/1384085389.db2.gz NSBRQTXQHIBYBF-QCCNOGHNSA-N 1 0 349.519 3.168 20 5 EGBDRO Cc1ccc(Cl)cc1N1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169007396 1384085802 /nfs/dbraw/zinc/08/58/02/1384085802.db2.gz NDHHDELWDRPJLH-ZBFHGGJFSA-N 1 0 337.851 3.216 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCC(c3nc4ccccc4o3)CC2)C1 ZINC001169007619 1384086491 /nfs/dbraw/zinc/08/64/91/1384086491.db2.gz ORHLQMSHBYQZGE-DZGCQCFKSA-N 1 0 329.400 3.453 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2C[C@H]3CCC[C@@]3(COc3ccccn3)C2)C1 ZINC001169023475 1384092540 /nfs/dbraw/zinc/09/25/40/1384092540.db2.gz UMZZCQYLYUMAOV-ZMMAXQRCSA-N 1 0 345.443 3.008 20 5 EGBDRO CC[N@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001169039318 1384098048 /nfs/dbraw/zinc/09/80/48/1384098048.db2.gz PMRMOCKNNMAYIZ-FHWLQOOXSA-N 1 0 331.460 3.028 20 5 EGBDRO C[C@]1(c2ccc(Cl)cc2)C[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CCO1 ZINC001169039549 1384098146 /nfs/dbraw/zinc/09/81/46/1384098146.db2.gz RCQCOMMLYNWZTL-RRQGHBQHSA-N 1 0 338.835 3.333 20 5 EGBDRO CCOC(=O)CCC[N@H+](Cc1ccccc1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169050605 1384100579 /nfs/dbraw/zinc/10/05/79/1384100579.db2.gz BXKNGNVVWDVBAB-ROUUACIJSA-N 1 0 348.443 3.277 20 5 EGBDRO CC1(C)C[C@@H](Nc2ncc3cccc([N+](=O)[O-])c3n2)C[C@@](C)(C[NH3+])C1 ZINC001169144840 1384114096 /nfs/dbraw/zinc/11/40/96/1384114096.db2.gz NYHPYPDYGSPXSL-FZKQIMNGSA-N 1 0 343.431 3.494 20 5 EGBDRO COc1cc([N+](=O)[O-])cnc1N1CCC[C@H]([NH3+])c2cc(C)ccc21 ZINC001169684256 1384173738 /nfs/dbraw/zinc/17/37/38/1384173738.db2.gz SABBLJIXXAVSAW-AWEZNQCLSA-N 1 0 328.372 3.239 20 5 EGBDRO Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1cc([N+](=O)[O-])c2nccn2c1 ZINC001169699466 1384175066 /nfs/dbraw/zinc/17/50/66/1384175066.db2.gz ZDMRFIWRAITJKA-HNNXBMFYSA-N 1 0 337.383 3.483 20 5 EGBDRO CCC1(C(=O)NCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)CCCC1 ZINC001169856211 1384191682 /nfs/dbraw/zinc/19/16/82/1384191682.db2.gz QAVVROXCYXDTNR-UHFFFAOYSA-N 1 0 333.432 3.161 20 5 EGBDRO COc1cccc(C[NH2+][C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])c1 ZINC001170293095 1384283787 /nfs/dbraw/zinc/28/37/87/1384283787.db2.gz KNAVUGLYQONGES-CYBMUJFWSA-N 1 0 330.384 3.333 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+]C2Cc3ccccc3C2)c([N+](=O)[O-])c1 ZINC001170299161 1384284939 /nfs/dbraw/zinc/28/49/39/1384284939.db2.gz RLTUUKYNZVQYBI-CYBMUJFWSA-N 1 0 326.396 3.291 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+]CCN2CCCCCC2)c([N+](=O)[O-])c1 ZINC001170297559 1384285457 /nfs/dbraw/zinc/28/54/57/1384285457.db2.gz PJWOYFDIZZKTOH-HNNXBMFYSA-N 1 0 335.448 3.000 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H](C)c2cccc(N)c2)c([N+](=O)[O-])c1 ZINC001170313577 1384288537 /nfs/dbraw/zinc/28/85/37/1384288537.db2.gz OYOGZZNHUGPEAC-OLZOCXBDSA-N 1 0 329.400 3.467 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+][C@H](CO)c2cccc(C)c2)c([N+](=O)[O-])c1 ZINC001170325908 1384291173 /nfs/dbraw/zinc/29/11/73/1384291173.db2.gz BWOYJIQAPKQUBU-KBXCAEBGSA-N 1 0 344.411 3.166 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+]CC(=O)c2cccc(F)c2)c([N+](=O)[O-])c1 ZINC001170324513 1384291419 /nfs/dbraw/zinc/29/14/19/1384291419.db2.gz QMZCWITXCMXFCF-LBPRGKRZSA-N 1 0 346.358 3.146 20 5 EGBDRO COc1ccc(C[C@H](C)[N@H+]2C[C@H]3[C@@H](C2)CCC[C@@H]3OC)c([N+](=O)[O-])c1 ZINC001170341545 1384295216 /nfs/dbraw/zinc/29/52/16/1384295216.db2.gz KIQGLUYASRUFIO-PZFZOXMESA-N 1 0 348.443 3.281 20 5 EGBDRO COc1ccc(C[C@@H](C)[N@H+](C)Cc2ccc(C)nc2)c([N+](=O)[O-])c1 ZINC001170351509 1384298297 /nfs/dbraw/zinc/29/82/97/1384298297.db2.gz CUZAPKYHFNOKCZ-CQSZACIVSA-N 1 0 329.400 3.370 20 5 EGBDRO C[NH+]1C(C)(C)CC(Nc2ccc3ncc([N+](=O)[O-])n3c2)CC1(C)C ZINC001170451433 1384322011 /nfs/dbraw/zinc/32/20/11/1384322011.db2.gz MLFVOYZDGGKPGC-UHFFFAOYSA-N 1 0 331.420 3.306 20 5 EGBDRO CCCSc1nc(Cl)c([N+](=O)[O-])c(NC[C@@H]2CCCC[NH2+]2)n1 ZINC001171326641 1384495810 /nfs/dbraw/zinc/49/58/10/1384495810.db2.gz DFCNDOIWEOKIEB-VIFPVBQESA-N 1 0 345.856 3.094 20 5 EGBDRO Cc1cc(NC[C@H]2CCCC[NH2+]2)c([N+](=O)[O-])cc1Br ZINC001171335696 1384497395 /nfs/dbraw/zinc/49/73/95/1384497395.db2.gz RFANZAVNRMGKCJ-SNVBAGLBSA-N 1 0 328.210 3.220 20 5 EGBDRO [NH3+]C[C@@H]1COc2ccccc2N1c1ccc2cnccc2c1[N+](=O)[O-] ZINC001171394878 1384512238 /nfs/dbraw/zinc/51/22/38/1384512238.db2.gz VNLXDMHHBJYNFG-CYBMUJFWSA-N 1 0 336.351 3.001 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]C[C@@H](O)c1ccc(F)cc1)CC2 ZINC001172896319 1384873650 /nfs/dbraw/zinc/87/36/50/1384873650.db2.gz OACRHHXFAPDCOP-PKOBYXMFSA-N 1 0 344.386 3.305 20 5 EGBDRO CCOC(=O)CC(C)(C)C[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172904330 1384874579 /nfs/dbraw/zinc/87/45/79/1384874579.db2.gz XAALKXLCKHMMTF-MRXNPFEDSA-N 1 0 348.443 3.411 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]Cc1cc3ccccn3n1)CC2 ZINC001172908609 1384875418 /nfs/dbraw/zinc/87/54/18/1384875418.db2.gz XQZGTZKZMDADEN-INIZCTEOSA-N 1 0 336.395 3.280 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CC[C@H]3OCCC[C@@H]3C1)CC2 ZINC001172908341 1384875578 /nfs/dbraw/zinc/87/55/78/1384875578.db2.gz LYAJFGCFORERIM-ZHALLVOQSA-N 1 0 330.428 3.343 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CC[C@H](N3CCCC3)C1)CC2 ZINC001172912607 1384875862 /nfs/dbraw/zinc/87/58/62/1384875862.db2.gz BXCGKHVQNHWOTP-MJGOQNOKSA-N 1 0 329.444 3.012 20 5 EGBDRO CC[N@H+](C1CCN(C)CC1)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172912432 1384875951 /nfs/dbraw/zinc/87/59/51/1384875951.db2.gz ZXKYXUSADMJRSA-KRWDZBQOSA-N 1 0 331.460 3.258 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H](N1CC[NH+](C3CCCC3)CC1)CC2 ZINC001172910604 1384876449 /nfs/dbraw/zinc/87/64/49/1384876449.db2.gz MNFHIULAVWUNTA-LJQANCHMSA-N 1 0 343.471 3.402 20 5 EGBDRO CCOC(=O)[C@H]1CCCC[N@@H+]1[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172914264 1384877136 /nfs/dbraw/zinc/87/71/36/1384877136.db2.gz GBVPCYSBQIQZET-SJLPKXTDSA-N 1 0 346.427 3.260 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@H](CO)C1CCCCC1)CC2 ZINC001172913562 1384877190 /nfs/dbraw/zinc/87/71/90/1384877190.db2.gz XDPOOKQIZCSBRI-IEBWSBKVSA-N 1 0 332.444 3.373 20 5 EGBDRO COC(=O)[C@@H]1CCC[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)[C@H]1C ZINC001172914858 1384877650 /nfs/dbraw/zinc/87/76/50/1384877650.db2.gz KLEZBOIWSMSZGX-FDQGKXFDSA-N 1 0 346.427 3.116 20 5 EGBDRO COC(=O)[C@H]1CC[C@@H](C)[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172914801 1384877684 /nfs/dbraw/zinc/87/76/84/1384877684.db2.gz IYYBRXFUCPJJEV-COXVUDFISA-N 1 0 346.427 3.116 20 5 EGBDRO Cc1noc([C@@H]2CCC[N@@H+]2[C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)n1 ZINC001172920949 1384879388 /nfs/dbraw/zinc/87/93/88/1384879388.db2.gz MOORJEJMBQJCRB-WBVHZDCISA-N 1 0 342.399 3.371 20 5 EGBDRO COC[C@@H]1CCCC[N@@H+]1[C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173178294 1384931494 /nfs/dbraw/zinc/93/14/94/1384931494.db2.gz AEKMZAMDBZLUBS-STQMWFEESA-N 1 0 340.395 3.174 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]Cc2cc(C)ccn2)c1F ZINC001173175968 1384931724 /nfs/dbraw/zinc/93/17/24/1384931724.db2.gz WMCYJQQDNJUOLW-LBPRGKRZSA-N 1 0 333.363 3.167 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)Nc2cccc(CC[NH3+])c2)c1F ZINC001173183265 1384932583 /nfs/dbraw/zinc/93/25/83/1384932583.db2.gz XEKABWWCFTUGLU-LBPRGKRZSA-N 1 0 347.390 3.287 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CCCc2ccccn2)c1F ZINC001173188851 1384933467 /nfs/dbraw/zinc/93/34/67/1384933467.db2.gz LKBLFAQDHZBITE-ZDUSSCGKSA-N 1 0 347.390 3.291 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@H]2CC[C@H](OC)CC2)c1F ZINC001173188057 1384933654 /nfs/dbraw/zinc/93/36/54/1384933654.db2.gz HZFGJGGYNRZQCD-AVGNSLFASA-N 1 0 340.395 3.221 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CC[C@H](OC(C)C)C2)c1F ZINC001173194748 1384934230 /nfs/dbraw/zinc/93/42/30/1384934230.db2.gz AADTZDFUUCAXCE-STQMWFEESA-N 1 0 340.395 3.173 20 5 EGBDRO COc1cccc(OCC[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001173213244 1384937112 /nfs/dbraw/zinc/93/71/12/1384937112.db2.gz HDMGTWBHSMDQFF-CQSZACIVSA-N 1 0 330.384 3.203 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC1(c2ccccc2)COC1 ZINC001173213478 1384937146 /nfs/dbraw/zinc/93/71/46/1384937146.db2.gz HVQIJOCKYWLNQM-HNNXBMFYSA-N 1 0 326.396 3.084 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC1(NC(=O)OC(C)(C)C)CC1 ZINC001173214672 1384937199 /nfs/dbraw/zinc/93/71/99/1384937199.db2.gz DNGFNQTUHGVLKP-CYBMUJFWSA-N 1 0 349.431 3.173 20 5 EGBDRO COc1ccc(C[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC001173217616 1384937523 /nfs/dbraw/zinc/93/75/23/1384937523.db2.gz XNQWUTATQZVZLD-CYBMUJFWSA-N 1 0 330.384 3.333 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC001173217966 1384937533 /nfs/dbraw/zinc/93/75/33/1384937533.db2.gz HXPLNBDFYZFSKR-LBPRGKRZSA-N 1 0 345.365 3.142 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc(OC2COC2)cc1 ZINC001173219251 1384938441 /nfs/dbraw/zinc/93/84/41/1384938441.db2.gz ZYDSHXAPXQXSHV-AWEZNQCLSA-N 1 0 342.395 3.093 20 5 EGBDRO CCOC(=O)C[C@H]1CCC[N@@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173221474 1384938579 /nfs/dbraw/zinc/93/85/79/1384938579.db2.gz ITJNIFKOGSWHNH-GDBMZVCRSA-N 1 0 334.416 3.191 20 5 EGBDRO COc1cccnc1C1(C[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173223666 1384939206 /nfs/dbraw/zinc/93/92/06/1384939206.db2.gz KLZKHTRDHXJVLM-CQSZACIVSA-N 1 0 341.411 3.251 20 5 EGBDRO Cc1cccnc1N1CC[NH+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173225489 1384939485 /nfs/dbraw/zinc/93/94/85/1384939485.db2.gz KDLDJZDFKVDDIL-MRXNPFEDSA-N 1 0 340.427 3.051 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](CO)c1cc(F)ccc1F ZINC001173229599 1384940845 /nfs/dbraw/zinc/94/08/45/1384940845.db2.gz OAACQUCASWPSOL-APPDUMDISA-N 1 0 336.338 3.127 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cncnc1C(F)(F)F ZINC001173228949 1384940883 /nfs/dbraw/zinc/94/08/83/1384940883.db2.gz OHUMJUVMMCBMHM-JTQLQIEISA-N 1 0 340.305 3.124 20 5 EGBDRO Cc1cnccc1O[C@H]1CC[N@@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173232370 1384941237 /nfs/dbraw/zinc/94/12/37/1384941237.db2.gz AXHBWEUNVJAKPS-YJBOKZPZSA-N 1 0 341.411 3.383 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2nc(C3CC3)ncc2C1 ZINC001173233700 1384941342 /nfs/dbraw/zinc/94/13/42/1384941342.db2.gz MFAUCEXNCQHPLV-ZDUSSCGKSA-N 1 0 338.411 3.252 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC001173232292 1384941405 /nfs/dbraw/zinc/94/14/05/1384941405.db2.gz DQNTXAHGRKOBLL-RDTXWAMCSA-N 1 0 327.384 3.074 20 5 EGBDRO Cc1ccc(C)c(OC[C@H](O)C[NH2+]Cc2ccccc2[N+](=O)[O-])c1C ZINC001335889506 1388960180 /nfs/dbraw/zinc/96/01/80/1388960180.db2.gz DNKVIIYDNDGKML-QGZVFWFLSA-N 1 0 344.411 3.050 20 5 EGBDRO C[NH+]1CCN(Cc2cccc(Nc3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC001174480328 1385112883 /nfs/dbraw/zinc/11/28/83/1385112883.db2.gz MQLPRQAZLWSKNH-UHFFFAOYSA-N 1 0 326.400 3.086 20 5 EGBDRO CC(F)(F)C(=O)NCCCCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001177750652 1386033569 /nfs/dbraw/zinc/03/35/69/1386033569.db2.gz KZNKONUIJLBLIQ-UHFFFAOYSA-N 1 0 349.403 3.078 20 5 EGBDRO CC1(C(=O)NCCCCCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001178539590 1386243794 /nfs/dbraw/zinc/24/37/94/1386243794.db2.gz JFBVOJGLQLJLMK-UHFFFAOYSA-N 1 0 333.432 3.161 20 5 EGBDRO CC[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC001320039502 1386467274 /nfs/dbraw/zinc/46/72/74/1386467274.db2.gz MADYQQRWLOKTGI-AEFFLSMTSA-N 1 0 348.374 3.215 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H]1CCCC[C@H]1[NH+](C)C ZINC001320998341 1386779073 /nfs/dbraw/zinc/77/90/73/1386779073.db2.gz BLNAHEUGGXNQOC-UKRRQHHQSA-N 1 0 334.420 3.206 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCC(=O)N1CCC[C@H](C)C1 ZINC001321722149 1386966548 /nfs/dbraw/zinc/96/65/48/1386966548.db2.gz OPBAZLGCLLJXFE-KFXIKWRMSA-N 1 0 345.443 3.236 20 5 EGBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)C[C@@H]1C ZINC001337680942 1389416328 /nfs/dbraw/zinc/41/63/28/1389416328.db2.gz YGZBONDGLBCMKB-WCQYABFASA-N 1 0 338.383 3.070 20 5 EGBDRO CC(=O)c1ccc([N+](=O)[O-])cc1NC1CCN(c2cc[nH+]cc2)CC1 ZINC001338190815 1389579094 /nfs/dbraw/zinc/57/90/94/1389579094.db2.gz JSNBKOHQFKWFMP-UHFFFAOYSA-N 1 0 340.383 3.273 20 5 EGBDRO CCOc1cc(CN2CCC([NH+](CC)CC)CC2)ccc1[N+](=O)[O-] ZINC001339006028 1389857910 /nfs/dbraw/zinc/85/79/10/1389857910.db2.gz HLVDTWTYULDRJY-UHFFFAOYSA-N 1 0 335.448 3.300 20 5 EGBDRO CC(C)([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CCCCC1 ZINC001339358496 1390006098 /nfs/dbraw/zinc/00/60/98/1390006098.db2.gz LRMUJPAVJVLBSU-UHFFFAOYSA-N 1 0 345.443 3.432 20 5 EGBDRO COCC1=CCN(Cc2cc([N+](=O)[O-])ccc2Br)CC1 ZINC001333360803 1390289381 /nfs/dbraw/zinc/28/93/81/1390289381.db2.gz NIKNPQZVCGRHHQ-UHFFFAOYSA-N 1 0 341.205 3.136 20 5 EGBDRO CCS[C@@H]1CCC[C@H]([NH2+]Cc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC001333699136 1390377469 /nfs/dbraw/zinc/37/74/69/1390377469.db2.gz RRCGZOWUUGRXDO-QWHCGFSZSA-N 1 0 340.445 3.463 20 5 EGBDRO CCS[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC001333699123 1390377645 /nfs/dbraw/zinc/37/76/45/1390377645.db2.gz RRCGZOWUUGRXDO-CHWSQXEVSA-N 1 0 340.445 3.463 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)O[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC001345924758 1390893889 /nfs/dbraw/zinc/89/38/89/1390893889.db2.gz OGDHSAXACLJSNS-YPMHNXCESA-N 1 0 336.413 3.100 20 5 EGBDRO COC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001347648612 1391105587 /nfs/dbraw/zinc/10/55/87/1391105587.db2.gz SOQFVTXEAUNDGY-AAEUAGOBSA-N 1 0 346.305 3.045 20 5 EGBDRO CC[NH+](CC)CC[C@@H](C)NC(=O)c1cc(Cl)c(C)cc1[N+](=O)[O-] ZINC001347660446 1391107602 /nfs/dbraw/zinc/10/76/02/1391107602.db2.gz LZQIGSDZQKGSBC-GFCCVEGCSA-N 1 0 341.839 3.407 20 5 EGBDRO CC[NH+](CC)CC[C@H](C)NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC001349880045 1391380004 /nfs/dbraw/zinc/38/00/04/1391380004.db2.gz MUYAMSKHKRYXOB-AWEZNQCLSA-N 1 0 335.448 3.109 20 5 EGBDRO CCC1(C(=O)N(C)CCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCC1 ZINC001754390147 1440594101 /nfs/dbraw/zinc/59/41/01/1440594101.db2.gz IZRRZKIMUBWHHZ-UHFFFAOYSA-N 1 0 333.432 3.113 20 5 EGBDRO CC/C(C)=C\C(=O)NC1(C)CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001754626240 1440646314 /nfs/dbraw/zinc/64/63/14/1440646314.db2.gz UVYBIQMXCASOFZ-SQFISAMPSA-N 1 0 345.443 3.422 20 5 EGBDRO CCCCC(=O)N1CCC([N@H+](C)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001755527922 1440866122 /nfs/dbraw/zinc/86/61/22/1440866122.db2.gz SVSSIPDAOPMKCL-UHFFFAOYSA-N 1 0 333.432 3.208 20 5 EGBDRO O=[N+]([O-])c1cccc2nc(N3CC[NH+](C4CCCC4)CC3)ccc21 ZINC001165029151 721855884 /nfs/dbraw/zinc/85/58/84/721855884.db2.gz ULXHNWWOSWDASM-UHFFFAOYSA-N 1 0 326.400 3.208 20 5 EGBDRO C[NH+](C)[C@H]1CCCN(c2ccc3c(ccc(Cl)c3[N+](=O)[O-])n2)C1 ZINC001165037990 721892579 /nfs/dbraw/zinc/89/25/79/721892579.db2.gz DRDSQUFZACDOBP-NSHDSACASA-N 1 0 334.807 3.327 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCCC[C@H]2CC[NH+]2CCCC2)n1 ZINC001165048920 721971819 /nfs/dbraw/zinc/97/18/19/721971819.db2.gz POJXQCDJWZXELS-INIZCTEOSA-N 1 0 332.448 3.451 20 5 EGBDRO Cc1ccc(C[C@@H](CO)[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)cc1 ZINC000786578238 1126110093 /nfs/dbraw/zinc/11/00/93/1126110093.db2.gz FDADCUQXIDLJSV-HNNXBMFYSA-N 1 0 334.803 3.250 20 5 EGBDRO Cn1nccc1[C@H]1CCC[C@@H]([NH2+]CCc2ccccc2[N+](=O)[O-])C1 ZINC000368453462 168358187 /nfs/dbraw/zinc/35/81/87/168358187.db2.gz GHSXIIKJGRXODV-JKSUJKDBSA-N 1 0 328.416 3.187 20 5 EGBDRO CCn1nc(C)c([N+](=O)[O-])c1NCc1cccc(C[NH+]2CCCC2)c1 ZINC000192487399 529601838 /nfs/dbraw/zinc/60/18/38/529601838.db2.gz OFAYJKUXCOKPRD-UHFFFAOYSA-N 1 0 343.431 3.328 20 5 EGBDRO CC1CC[NH+](CCCNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000028067766 202164477 /nfs/dbraw/zinc/16/44/77/202164477.db2.gz XERJOTWRVZGRCC-UHFFFAOYSA-N 1 0 339.823 3.100 20 5 EGBDRO CC[NH+](CC)[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1)c1ccsc1 ZINC000031987974 202218846 /nfs/dbraw/zinc/21/88/46/202218846.db2.gz HSEUPFRKLALPGL-MRXNPFEDSA-N 1 0 347.440 3.469 20 5 EGBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]CC2CCC2)c1 ZINC000565131251 316272665 /nfs/dbraw/zinc/27/26/65/316272665.db2.gz KQZJTTCXEZLODC-UHFFFAOYSA-N 1 0 346.168 3.089 20 5 EGBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@H](c3nnc4ccccn43)C2)c1 ZINC000076397253 202388977 /nfs/dbraw/zinc/38/89/77/202388977.db2.gz ZDMPJRXHOWUVNF-HNNXBMFYSA-N 1 0 337.383 3.017 20 5 EGBDRO C[N@@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C[C@H]1CCC[C@H]1O ZINC000252486713 201183700 /nfs/dbraw/zinc/18/37/00/201183700.db2.gz MKKNKHPPZJYPAK-CZUORRHYSA-N 1 0 347.440 3.311 20 5 EGBDRO CCC[NH+]1CCC(N(C)C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000270745307 201241237 /nfs/dbraw/zinc/24/12/37/201241237.db2.gz HBBVAWMIOHNCFV-UHFFFAOYSA-N 1 0 339.823 3.195 20 5 EGBDRO Cc1ccc(NC(=O)NC2CC[NH+](C(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000193712455 240276546 /nfs/dbraw/zinc/27/65/46/240276546.db2.gz BJSHEPMCGSWSRO-UHFFFAOYSA-N 1 0 334.420 3.288 20 5 EGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000375463822 242057373 /nfs/dbraw/zinc/05/73/73/242057373.db2.gz GIAHYKDNDGYBAG-BXUZGUMPSA-N 1 0 328.372 3.406 20 5 EGBDRO CC[NH+](CC)CCCCNC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000094134611 203709445 /nfs/dbraw/zinc/70/94/45/203709445.db2.gz FSPNJRMLLSBMBJ-UHFFFAOYSA-N 1 0 335.448 3.372 20 5 EGBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000105159785 204137187 /nfs/dbraw/zinc/13/71/87/204137187.db2.gz FRFYMGVCQUDPAS-GJZGRUSLSA-N 1 0 348.447 3.075 20 5 EGBDRO COCC1CC[NH+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000112354434 204393820 /nfs/dbraw/zinc/39/38/20/204393820.db2.gz YRGLAJKEAQKCAF-GFCCVEGCSA-N 1 0 346.387 3.064 20 5 EGBDRO COC(C)(C)C[C@@H](C)[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000121970668 204838276 /nfs/dbraw/zinc/83/82/76/204838276.db2.gz LQQVPBVDKVVFPS-CHWSQXEVSA-N 1 0 337.420 3.105 20 5 EGBDRO C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000123126659 204903400 /nfs/dbraw/zinc/90/34/00/204903400.db2.gz OPWBBDROGFCYJG-CYBMUJFWSA-N 1 0 345.374 3.283 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CCC3(CC2)OCCO3)o1 ZINC000126094193 205040866 /nfs/dbraw/zinc/04/08/66/205040866.db2.gz LMDNCGDRKWFZAT-UHFFFAOYSA-N 1 0 344.367 3.194 20 5 EGBDRO C[C@@]1(O)CCCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000129410125 205193585 /nfs/dbraw/zinc/19/35/85/205193585.db2.gz QTEONPPNKJOYKP-MRXNPFEDSA-N 1 0 333.413 3.065 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]CCNC(=O)c2ccccc2F)cc1[N+](=O)[O-] ZINC000130912703 205263338 /nfs/dbraw/zinc/26/33/38/205263338.db2.gz KOARKPSFIUMRDT-ZDUSSCGKSA-N 1 0 345.374 3.123 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@H]2CC[C@H](CO)CC2)o1 ZINC000153155939 205820859 /nfs/dbraw/zinc/82/08/59/205820859.db2.gz YIEJOULNGHRHBC-OKILXGFUSA-N 1 0 330.384 3.496 20 5 EGBDRO C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C[C@@H]1CCCCO1 ZINC000264175519 246140358 /nfs/dbraw/zinc/14/03/58/246140358.db2.gz JAQIMHIXVPTNRW-INIZCTEOSA-N 1 0 345.399 3.293 20 5 EGBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCCC[C@H]2c2cc3ccccc3[nH]2)c1 ZINC000157962899 206165546 /nfs/dbraw/zinc/16/55/46/206165546.db2.gz ANWWXLVLRGNDAX-SFHVURJKSA-N 1 0 339.399 3.500 20 5 EGBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@H]1c1ccccc1Cl ZINC000159764462 206262171 /nfs/dbraw/zinc/26/21/71/206262171.db2.gz KHLOHPVWWMZZBM-INIZCTEOSA-N 1 0 347.802 3.247 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H](O)C3CC3)o2)c(Cl)c1 ZINC000265103506 247205651 /nfs/dbraw/zinc/20/56/51/247205651.db2.gz UFVFWMMUNWYBBG-HNNXBMFYSA-N 1 0 336.775 3.369 20 5 EGBDRO CCCC(=O)NC[C@H]1CCC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000266560138 248360439 /nfs/dbraw/zinc/36/04/39/248360439.db2.gz XCUCQNCBTNREOB-HUUCEWRRSA-N 1 0 333.432 3.284 20 5 EGBDRO Cc1ccc(NC2CC[NH+](Cc3cccnc3)CC2)c([N+](=O)[O-])c1 ZINC000377606239 169046969 /nfs/dbraw/zinc/04/69/69/169046969.db2.gz ZAQDTCUTKSEYKO-UHFFFAOYSA-N 1 0 326.400 3.375 20 5 EGBDRO CC(C)NC(=O)c1ccc(N[C@H]2CCC[C@H]([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000267277640 250898533 /nfs/dbraw/zinc/89/85/33/250898533.db2.gz ODOKGTHRCUGCEQ-GJZGRUSLSA-N 1 0 348.447 3.018 20 5 EGBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000267620284 251199705 /nfs/dbraw/zinc/19/97/05/251199705.db2.gz YZVILESZVWPKLT-HIFRSBDPSA-N 1 0 343.383 3.040 20 5 EGBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000175932460 207174032 /nfs/dbraw/zinc/17/40/32/207174032.db2.gz KSQNFNMKWVSMIJ-LBPRGKRZSA-N 1 0 339.823 3.098 20 5 EGBDRO Cc1ccc([C@H](C)NC(=O)N2CCC([NH2+]C(C)C)CC2)cc1[N+](=O)[O-] ZINC000176725979 207254579 /nfs/dbraw/zinc/25/45/79/207254579.db2.gz TVLPSXOQZHQNNZ-AWEZNQCLSA-N 1 0 348.447 3.136 20 5 EGBDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000268793740 252245736 /nfs/dbraw/zinc/24/57/36/252245736.db2.gz XRMMMQHHDLYNRF-CQSZACIVSA-N 1 0 348.447 3.040 20 5 EGBDRO CC[NH+](CC)CCCCNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000112919543 220421386 /nfs/dbraw/zinc/42/13/86/220421386.db2.gz ZCDKCSKYPAYDBP-UHFFFAOYSA-N 1 0 348.447 3.021 20 5 EGBDRO Cc1ccc(NC(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000119665942 221370939 /nfs/dbraw/zinc/37/09/39/221370939.db2.gz CXYWERMXSOPRSW-HNNXBMFYSA-N 1 0 346.431 3.243 20 5 EGBDRO COc1ccc(-c2ccc(C[NH2+]CCOCC3CC3)o2)c([N+](=O)[O-])c1 ZINC000237427435 141001985 /nfs/dbraw/zinc/00/19/85/141001985.db2.gz WBBSEAZFSVEMCT-UHFFFAOYSA-N 1 0 346.383 3.380 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+]CCc2cc(C(F)(F)F)ccn2)c(F)c1 ZINC000339483917 141121784 /nfs/dbraw/zinc/12/17/84/141121784.db2.gz YZQDPTWIJDJEHS-UHFFFAOYSA-N 1 0 343.280 3.480 20 5 EGBDRO Cn1cnc([N+](=O)[O-])c1NCc1ccccc1C[NH+]1CCCCCC1 ZINC000353135096 141288070 /nfs/dbraw/zinc/28/80/70/141288070.db2.gz FGXXVCBOAAPXJY-UHFFFAOYSA-N 1 0 343.431 3.316 20 5 EGBDRO C[C@H]([NH2+]CC(C)(C)N1C[C@@H](C)O[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000178641012 144073764 /nfs/dbraw/zinc/07/37/64/144073764.db2.gz GWWPHUHAEWKJLV-ZNMIVQPWSA-N 1 0 335.448 3.133 20 5 EGBDRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000343187729 144191206 /nfs/dbraw/zinc/19/12/06/144191206.db2.gz MAWWCWUOZAOBPZ-GJZGRUSLSA-N 1 0 333.432 3.083 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H](O)C(F)F)o2)c(Cl)c1 ZINC000344774580 144223152 /nfs/dbraw/zinc/22/31/52/144223152.db2.gz NDMCIZBYNPZTMA-GFCCVEGCSA-N 1 0 346.717 3.224 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCCOC[C@H]1CCCO1 ZINC000344789427 144224767 /nfs/dbraw/zinc/22/47/67/144224767.db2.gz HOKNEVMQTPXUGQ-HAZIXKIPSA-N 1 0 334.416 3.173 20 5 EGBDRO Cc1ccc(NC(=O)NCC[C@@H](C)[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000344917344 144241596 /nfs/dbraw/zinc/24/15/96/144241596.db2.gz NHMMCWUVUZNORJ-CQSZACIVSA-N 1 0 334.420 3.289 20 5 EGBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000363937174 144377665 /nfs/dbraw/zinc/37/76/65/144377665.db2.gz JLPXSOBJZGBPNR-CHWSQXEVSA-N 1 0 345.424 3.166 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3CC[C@](O)(C4CC4)C3)cs2)c1 ZINC000373324743 144502034 /nfs/dbraw/zinc/50/20/34/144502034.db2.gz QOMVIHMHCDGANM-QGZVFWFLSA-N 1 0 345.424 3.065 20 5 EGBDRO C[NH+](C)Cc1cccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000117604114 152106362 /nfs/dbraw/zinc/10/63/62/152106362.db2.gz MPOIMVVBJNSOQD-UHFFFAOYSA-N 1 0 347.802 3.491 20 5 EGBDRO C[C@H]1CCC[C@H](C)[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000125252169 152468577 /nfs/dbraw/zinc/46/85/77/152468577.db2.gz KVNUJGSFRRQJHG-KBPBESRZSA-N 1 0 347.415 3.403 20 5 EGBDRO COCc1cc([N+](=O)[O-])ccc1NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000156708447 152681028 /nfs/dbraw/zinc/68/10/28/152681028.db2.gz KFQDXVQDZPLIQJ-SFHVURJKSA-N 1 0 343.427 3.326 20 5 EGBDRO CCN(CC)c1ncc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)s1 ZINC000336872223 154224028 /nfs/dbraw/zinc/22/40/28/154224028.db2.gz LPTJGYZUMSFBJV-UHFFFAOYSA-N 1 0 334.445 3.496 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCCC[C@H]1OC(F)F ZINC000337395018 154331070 /nfs/dbraw/zinc/33/10/70/154331070.db2.gz IPZVLIIKRBRALX-GXTWGEPZSA-N 1 0 330.331 3.243 20 5 EGBDRO C[NH+](C)CC1(CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CCCC1 ZINC000352620964 156384869 /nfs/dbraw/zinc/38/48/69/156384869.db2.gz KAQKBAFYKRITJY-UHFFFAOYSA-N 1 0 339.823 3.100 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@@H]1CCO[C@@H](C2CC2)C1)C1CC1 ZINC000248907147 163045651 /nfs/dbraw/zinc/04/56/51/163045651.db2.gz UYGDMYREHPIRJK-ZIFCJYIRSA-N 1 0 330.428 3.463 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CC[C@@H](c3c(F)cccc3F)C2)c1 ZINC000248982805 163049746 /nfs/dbraw/zinc/04/97/46/163049746.db2.gz JHDNTFQEEQOZLY-DYVFJYSZSA-N 1 0 348.349 3.396 20 5 EGBDRO COc1cccc([C@H](CNc2c(F)cccc2[N+](=O)[O-])[NH+](C)C)c1 ZINC000336878256 163085491 /nfs/dbraw/zinc/08/54/91/163085491.db2.gz CRFSMYGPBJXOCF-INIZCTEOSA-N 1 0 333.363 3.457 20 5 EGBDRO COCC[C@@H]([NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-])C(C)(C)C ZINC000338343700 163216921 /nfs/dbraw/zinc/21/69/21/163216921.db2.gz BCOKGMYICJIMLZ-OAHLLOKOSA-N 1 0 328.384 3.283 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(NCc2ccccc2OCC[NH+](C)C)c1 ZINC000338652377 163306669 /nfs/dbraw/zinc/30/66/69/163306669.db2.gz IQLYKKUYMKFOKL-UHFFFAOYSA-N 1 0 345.399 3.156 20 5 EGBDRO COC[C@@H](C)C[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000338710468 163326703 /nfs/dbraw/zinc/32/67/03/163326703.db2.gz IAOOSCHOWROUON-LBPRGKRZSA-N 1 0 334.372 3.236 20 5 EGBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNc2nc3sccn3c2[N+](=O)[O-])C1 ZINC000339030591 163435326 /nfs/dbraw/zinc/43/53/26/163435326.db2.gz ZMUVOVKKSGEGGX-VXGBXAGGSA-N 1 0 337.449 3.084 20 5 EGBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C[C@@H]1C ZINC000354400231 166013376 /nfs/dbraw/zinc/01/33/76/166013376.db2.gz QLIOHIHYRCGUHA-JSGCOSHPSA-N 1 0 345.399 3.286 20 5 EGBDRO CC(C)C[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)C(C)C ZINC000343696639 164014363 /nfs/dbraw/zinc/01/43/63/164014363.db2.gz RBBQJYGBZNJHKE-UHFFFAOYSA-N 1 0 335.404 3.259 20 5 EGBDRO CC[C@@]1(C)CCN([C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000344213111 164128219 /nfs/dbraw/zinc/12/82/19/164128219.db2.gz DMYDAKDDVKPWDG-PXAZEXFGSA-N 1 0 335.404 3.052 20 5 EGBDRO C[NH+](C)CCc1ccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)cc1 ZINC000344275519 164144425 /nfs/dbraw/zinc/14/44/25/164144425.db2.gz PFODSVFKYNKTCS-UHFFFAOYSA-N 1 0 331.347 3.090 20 5 EGBDRO C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCCN1C ZINC000344332830 164158730 /nfs/dbraw/zinc/15/87/30/164158730.db2.gz ZTQGWWARVQVPIE-BBRMVZONSA-N 1 0 329.400 3.427 20 5 EGBDRO C[C@@H](C[NH+](C)C)NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000346156424 164352303 /nfs/dbraw/zinc/35/23/03/164352303.db2.gz JZXDTNOUXQXEPZ-ZDUSSCGKSA-N 1 0 342.399 3.018 20 5 EGBDRO CCS[C@@H]1CCC[C@@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000348468339 164748120 /nfs/dbraw/zinc/74/81/20/164748120.db2.gz JONORJFDSWAGIP-LSDHHAIUSA-N 1 0 337.445 3.187 20 5 EGBDRO COC(=O)COc1ccc(C[N@H+](CC(C)C)C(C)C)cc1[N+](=O)[O-] ZINC000355592691 166254403 /nfs/dbraw/zinc/25/44/03/166254403.db2.gz AYWKUUCQWJHHKA-UHFFFAOYSA-N 1 0 338.404 3.013 20 5 EGBDRO CCOC(=O)C[C@@](C)([NH2+]Cc1ccc([N+](=O)[O-])cc1F)C(C)C ZINC000359374096 167140146 /nfs/dbraw/zinc/14/01/46/167140146.db2.gz BLEDVNGHKVRMIV-MRXNPFEDSA-N 1 0 326.368 3.191 20 5 EGBDRO CCC(CC)[C@@H](CNc1c([N+](=O)[O-])c(C)nn1CC)[NH+]1CCCC1 ZINC000359451453 167160399 /nfs/dbraw/zinc/16/03/99/167160399.db2.gz ZESMFVLTUXDKGK-OAHLLOKOSA-N 1 0 337.468 3.432 20 5 EGBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC(CCC[NH+](C)C)CC1 ZINC000361072953 167510189 /nfs/dbraw/zinc/51/01/89/167510189.db2.gz KPXZQNZPJWAOPP-UHFFFAOYSA-N 1 0 333.432 3.356 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(C2CC2)CC1 ZINC000366394613 168116039 /nfs/dbraw/zinc/11/60/39/168116039.db2.gz FROHTPLCVVKRDC-UHFFFAOYSA-N 1 0 347.415 3.054 20 5 EGBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000367200770 168192145 /nfs/dbraw/zinc/19/21/45/168192145.db2.gz LFZDXQRRMMSYJA-AWEZNQCLSA-N 1 0 349.456 3.017 20 5 EGBDRO CCc1ccc(C(=O)N[C@@H](C)CCC[NH+](CC)CC)cc1[N+](=O)[O-] ZINC000174119260 265025549 /nfs/dbraw/zinc/02/55/49/265025549.db2.gz NYOWLMRTMICEGS-AWEZNQCLSA-N 1 0 335.448 3.398 20 5 EGBDRO Cc1c(NC(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000174477015 265052575 /nfs/dbraw/zinc/05/25/75/265052575.db2.gz RESLLZRQVUIZEX-OAHLLOKOSA-N 1 0 346.431 3.289 20 5 EGBDRO CC(C)(NC(=O)NCCC[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000175328089 265108651 /nfs/dbraw/zinc/10/86/51/265108651.db2.gz BZZMVCOUKVPXAA-UHFFFAOYSA-N 1 0 348.447 3.005 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3C[C@@H]4CCCC[C@@H]4C3)o2)cc1 ZINC000177579669 265264689 /nfs/dbraw/zinc/26/46/89/265264689.db2.gz MQCCYCRSQCPWIJ-OKILXGFUSA-N 1 0 328.372 3.267 20 5 EGBDRO CCCNc1ccc(C[NH2+]Cc2cc(OC)c(O)cc2[N+](=O)[O-])cc1 ZINC000193150161 266014837 /nfs/dbraw/zinc/01/48/37/266014837.db2.gz QDMSXGYZPWIJFQ-UHFFFAOYSA-N 1 0 345.399 3.421 20 5 EGBDRO Cc1cc(N[C@H](C)CC[NH+](C)C)c(Br)cc1[N+](=O)[O-] ZINC000235436266 266207801 /nfs/dbraw/zinc/20/78/01/266207801.db2.gz VXHUWMWEYCTVQM-SNVBAGLBSA-N 1 0 330.226 3.418 20 5 EGBDRO C[C@@H]1c2ccsc2CC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000272961180 266949377 /nfs/dbraw/zinc/94/93/77/266949377.db2.gz SFUFVHGSPWQOSN-OLZOCXBDSA-N 1 0 348.424 3.015 20 5 EGBDRO O=[N+]([O-])c1ccc(NCc2ccccc2C[N@H+]2CCC[C@H]2CO)cc1 ZINC000273293688 267014941 /nfs/dbraw/zinc/01/49/41/267014941.db2.gz ZPTLMARXWPMMLD-IBGZPJMESA-N 1 0 341.411 3.164 20 5 EGBDRO CC1CC[NH+]([C@@H](CNc2ncc([N+](=O)[O-])cn2)c2cccs2)CC1 ZINC000273685569 267083046 /nfs/dbraw/zinc/08/30/46/267083046.db2.gz ZWPWRWRTWSRNLE-AWEZNQCLSA-N 1 0 347.444 3.331 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000275527899 267375267 /nfs/dbraw/zinc/37/52/67/267375267.db2.gz LSSVCTHLJMWIIM-OAHLLOKOSA-N 1 0 348.428 3.389 20 5 EGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](c1nccn1C)C1CC1 ZINC000353874088 274480106 /nfs/dbraw/zinc/48/01/06/274480106.db2.gz XNTWHKXRHPOJSK-CXAGYDPISA-N 1 0 328.416 3.390 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@@H](C)c1ccccn1 ZINC000128105822 275192371 /nfs/dbraw/zinc/19/23/71/275192371.db2.gz ZTHLTIQGOGQVAS-AWEZNQCLSA-N 1 0 342.399 3.320 20 5 EGBDRO COc1cc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(F)cc1[N+](=O)[O-] ZINC000271070965 275237778 /nfs/dbraw/zinc/23/77/78/275237778.db2.gz FCDQULLRABKOHD-SWLSCSKDSA-N 1 0 349.406 3.196 20 5 EGBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCc3nccn3C2)cc1[N+](=O)[O-] ZINC000278934845 275288971 /nfs/dbraw/zinc/28/89/71/275288971.db2.gz JMUMTAHKOBLJQJ-KGLIPLIRSA-N 1 0 344.415 3.103 20 5 EGBDRO Cn1cc(CCC[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cn1 ZINC000279047985 275299119 /nfs/dbraw/zinc/29/91/19/275299119.db2.gz JVMZSZHXVRLEQP-KRWDZBQOSA-N 1 0 328.416 3.273 20 5 EGBDRO CC1(C)C[C@@H]([NH2+]CCCO[C@H]2CCOC2)c2cc([N+](=O)[O-])ccc21 ZINC000279084950 275302559 /nfs/dbraw/zinc/30/25/59/275302559.db2.gz MZFHCHQOYUHOAC-WMLDXEAASA-N 1 0 334.416 3.102 20 5 EGBDRO C[C@H](O)C[C@H]1CCCC[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000279718198 275352773 /nfs/dbraw/zinc/35/27/73/275352773.db2.gz IRMMYQHRHZCRSP-SUMWQHHRSA-N 1 0 345.399 3.375 20 5 EGBDRO CCS[C@@H]1CCC[C@@H]1[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000284823331 275828972 /nfs/dbraw/zinc/82/89/72/275828972.db2.gz AGOSDIKTBOBSCB-UONOGXRCSA-N 1 0 348.428 3.409 20 5 EGBDRO CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000122793794 275830049 /nfs/dbraw/zinc/83/00/49/275830049.db2.gz FRMJKHCPULYUHZ-GJZGRUSLSA-N 1 0 335.404 3.130 20 5 EGBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000287359179 276112083 /nfs/dbraw/zinc/11/20/83/276112083.db2.gz WRGWLNNEKRNFQV-WFASDCNBSA-N 1 0 343.383 3.040 20 5 EGBDRO CCn1c(C)nc([N+](=O)[O-])c1SCC[N@H+](C)Cc1ccccc1 ZINC000288309180 276200198 /nfs/dbraw/zinc/20/01/98/276200198.db2.gz CKUVHCQWWDJCIL-UHFFFAOYSA-N 1 0 334.445 3.344 20 5 EGBDRO CCO[C@@H]1C[C@H]([N@H+](C)Cc2cc([N+](=O)[O-])ccc2OC)C12CCC2 ZINC000357785090 276350228 /nfs/dbraw/zinc/35/02/28/276350228.db2.gz HUKVQRGEPIHWDD-DLBZAZTESA-N 1 0 334.416 3.383 20 5 EGBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000105326990 276780286 /nfs/dbraw/zinc/78/02/86/276780286.db2.gz YQARDQRVKAMXSV-CQSZACIVSA-N 1 0 333.432 3.059 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@]1(N(C)C)CCSC1 ZINC000345043589 276823990 /nfs/dbraw/zinc/82/39/90/276823990.db2.gz IXXBOIYSDXMWJV-DZXKJOIRSA-N 1 0 335.473 3.025 20 5 EGBDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000236774332 277750478 /nfs/dbraw/zinc/75/04/78/277750478.db2.gz BCTGMWSPIYEICF-HNNXBMFYSA-N 1 0 335.448 3.338 20 5 EGBDRO CC(C)c1ccc(CN2CC[NH2+]C[C@@H]2c2ccncc2)cc1[N+](=O)[O-] ZINC000262125263 278036003 /nfs/dbraw/zinc/03/60/03/278036003.db2.gz XPIZQVUQGJRCFK-LJQANCHMSA-N 1 0 340.427 3.260 20 5 EGBDRO CC[C@H]([NH2+]CCCN1CCCCCC1=O)c1cccc([N+](=O)[O-])c1 ZINC000155524499 288040371 /nfs/dbraw/zinc/04/03/71/288040371.db2.gz CEHTWFWVCATWSV-KRWDZBQOSA-N 1 0 333.432 3.428 20 5 EGBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1c1nc2ccccc2cc1[N+](=O)[O-] ZINC000376174056 279116681 /nfs/dbraw/zinc/11/66/81/279116681.db2.gz OPGKXWLPOOJOST-CZUORRHYSA-N 1 0 326.400 3.206 20 5 EGBDRO C[C@H]([NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000178640656 279498831 /nfs/dbraw/zinc/49/88/31/279498831.db2.gz FMLCYNAGUJYOGS-STQMWFEESA-N 1 0 348.424 3.410 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000120605646 281258263 /nfs/dbraw/zinc/25/82/63/281258263.db2.gz WRPJYNBOFQNWRD-IYBDPMFKSA-N 1 0 347.459 3.229 20 5 EGBDRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000357848575 281360795 /nfs/dbraw/zinc/36/07/95/281360795.db2.gz JPBPVBDBXGSJEE-RDTXWAMCSA-N 1 0 341.411 3.324 20 5 EGBDRO C[C@H]([NH2+]CC(=O)N(C)[C@@H]1CCCC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000180417199 289941443 /nfs/dbraw/zinc/94/14/43/289941443.db2.gz TWCOJLAQBNPIDA-JKIFEVAISA-N 1 0 333.432 3.283 20 5 EGBDRO O=[N+]([O-])c1cccc2ncnc(NCCCCC[NH+]3CCCCC3)c21 ZINC000347411205 304807057 /nfs/dbraw/zinc/80/70/57/304807057.db2.gz HWXLLRIKQWPXLK-UHFFFAOYSA-N 1 0 343.431 3.028 20 5 EGBDRO CC(C)(C)CC(C)(C)[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000053123813 307334786 /nfs/dbraw/zinc/33/47/86/307334786.db2.gz IKKUNTZUAUFGDU-UHFFFAOYSA-N 1 0 333.432 3.288 20 5 EGBDRO CC1(C)CC(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC(C)(C)[NH2+]1 ZINC000076989621 307410418 /nfs/dbraw/zinc/41/04/18/307410418.db2.gz VDXOEQZYEYKVMP-UHFFFAOYSA-N 1 0 339.823 3.287 20 5 EGBDRO Cc1c([C@H](C)[NH2+][C@H]2CCN(CC(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000125809701 307559995 /nfs/dbraw/zinc/55/99/95/307559995.db2.gz QFCRVSJMOQZVRD-RYUDHWBXSA-N 1 0 331.338 3.190 20 5 EGBDRO CCOc1ccc([C@@H](C)[NH2+]CCOCC(F)(F)F)cc1[N+](=O)[O-] ZINC000153273277 307769649 /nfs/dbraw/zinc/76/96/49/307769649.db2.gz MJIHAUKWQYJDSB-SNVBAGLBSA-N 1 0 336.310 3.223 20 5 EGBDRO CO[C@@](C)([C@H](C)[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000414228777 309067624 /nfs/dbraw/zinc/06/76/24/309067624.db2.gz MHUSYAQBMHHCQJ-VBHSOAQHSA-N 1 0 349.431 3.105 20 5 EGBDRO C[C@]1(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCCC[C@@H]1O ZINC000159155652 307869254 /nfs/dbraw/zinc/86/92/54/307869254.db2.gz VEYCSWKXFKPZOD-YTQUADARSA-N 1 0 332.444 3.447 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCCO[C@H](CF)C2)o1 ZINC000414478307 309083118 /nfs/dbraw/zinc/08/31/18/309083118.db2.gz OOULFBRMUTZCJO-CQSZACIVSA-N 1 0 334.347 3.415 20 5 EGBDRO O=C(NCCCCC[NH+]1CCCC1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000293961417 308177969 /nfs/dbraw/zinc/17/79/69/308177969.db2.gz PVNYBWZZYRBJBT-UHFFFAOYSA-N 1 0 339.823 3.244 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2nc(CN3CCC[C@H](O)CC3)cs2)c1 ZINC000293985858 308180315 /nfs/dbraw/zinc/18/03/15/308180315.db2.gz LHFCOTLSUCRTRW-HNNXBMFYSA-N 1 0 333.413 3.065 20 5 EGBDRO C[C@@H]1C[C@@H](C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)[C@H](C)O1 ZINC000414522306 309086268 /nfs/dbraw/zinc/08/62/68/309086268.db2.gz XDEVBJHZWIAMDA-VWYCJHECSA-N 1 0 330.331 3.099 20 5 EGBDRO COc1ccccc1O[C@@H](C)C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294653111 308242410 /nfs/dbraw/zinc/24/24/10/308242410.db2.gz GWJJYXKNIRDVOY-QWHCGFSZSA-N 1 0 345.399 3.304 20 5 EGBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([S@@](C)=O)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294678558 308244860 /nfs/dbraw/zinc/24/48/60/308244860.db2.gz IBKKLHROYACTRM-KKVRKASNSA-N 1 0 347.440 3.326 20 5 EGBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000295405894 308323478 /nfs/dbraw/zinc/32/34/78/308323478.db2.gz MOTWWWQWBZRSEJ-NVXWUHKLSA-N 1 0 333.432 3.239 20 5 EGBDRO C[C@H](NC(=O)c1sccc1C[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000295790416 308360125 /nfs/dbraw/zinc/36/01/25/308360125.db2.gz YXUPMFYXXULEOU-NSHDSACASA-N 1 0 333.413 3.209 20 5 EGBDRO COc1cc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc2c1OCO2 ZINC000296044754 308387964 /nfs/dbraw/zinc/38/79/64/308387964.db2.gz OEXPSHFDEVXUNU-NSHDSACASA-N 1 0 330.340 3.183 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCC[NH2+]C1CCCCCC1 ZINC000414653307 309093724 /nfs/dbraw/zinc/09/37/24/309093724.db2.gz FALFHHNXXQHGND-UHFFFAOYSA-N 1 0 334.420 3.337 20 5 EGBDRO CC[C@H](COCC(F)(F)F)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000297181310 308507423 /nfs/dbraw/zinc/50/74/23/308507423.db2.gz DXLVXCHJBAYPCN-MWLCHTKSSA-N 1 0 335.326 3.185 20 5 EGBDRO CC(C)([NH3+])CNCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000414803712 309102386 /nfs/dbraw/zinc/10/23/86/309102386.db2.gz MTQRPBNFLMZYTN-UHFFFAOYSA-N 1 0 333.363 3.353 20 5 EGBDRO C[C@H]([NH2+]CC(=O)N1CCC[C@@H]2CCCC[C@@H]21)c1cccc([N+](=O)[O-])c1 ZINC000299733963 308686169 /nfs/dbraw/zinc/68/61/69/308686169.db2.gz ZEDGTVAGYRWVMQ-MPGHIAIKSA-N 1 0 345.443 3.427 20 5 EGBDRO COc1cc(NC[C@H](c2ccc(F)cc2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000301329321 308696625 /nfs/dbraw/zinc/69/66/25/308696625.db2.gz AUROZFFONBQQPE-MRXNPFEDSA-N 1 0 333.363 3.457 20 5 EGBDRO COc1cc(NC[C@@H](c2cccc(F)c2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000301361764 308697804 /nfs/dbraw/zinc/69/78/04/308697804.db2.gz OJPLLZOJLPSARL-INIZCTEOSA-N 1 0 333.363 3.457 20 5 EGBDRO CC(=O)N[C@H](C)C1CC[NH+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000331159178 308802736 /nfs/dbraw/zinc/80/27/36/308802736.db2.gz ZQQVRKZCZJFSSF-KGLIPLIRSA-N 1 0 333.432 3.201 20 5 EGBDRO CC(C)c1ccc(C(=O)N2CCC(C[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000331258938 308803497 /nfs/dbraw/zinc/80/34/97/308803497.db2.gz GPDDHRHJFAYHAC-UHFFFAOYSA-N 1 0 333.432 3.132 20 5 EGBDRO C[C@H](Nc1ncc([N+](=O)[O-])cc1C(F)(F)F)C(C)(C)C[NH+](C)C ZINC000413171270 309019484 /nfs/dbraw/zinc/01/94/84/309019484.db2.gz ZQHVELVGDPQBOG-VIFPVBQESA-N 1 0 334.342 3.397 20 5 EGBDRO C[NH+]1CCC([C@H]2CCN(c3ccc([N+](=O)[O-])c4ncccc34)C2)CC1 ZINC000413208367 309021569 /nfs/dbraw/zinc/02/15/69/309021569.db2.gz SKWWPYBNLLSZDN-HNNXBMFYSA-N 1 0 340.427 3.311 20 5 EGBDRO C[N@@H+]1CCC[C@@]2(CCN(c3ccc([N+](=O)[O-])c4ncccc34)C2)C1 ZINC000413290243 309025466 /nfs/dbraw/zinc/02/54/66/309025466.db2.gz BMOJXNFILZQYPB-GOSISDBHSA-N 1 0 326.400 3.065 20 5 EGBDRO C[C@@H](NCc1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@@H]1CCC[NH2+]C1 ZINC000414851407 309105457 /nfs/dbraw/zinc/10/54/57/309105457.db2.gz JDVZOZLSLQUHIO-ZIAGYGMSSA-N 1 0 329.400 3.333 20 5 EGBDRO CC[NH2+]Cc1cccc(NCc2cc(OC)c(OC)cc2[N+](=O)[O-])c1 ZINC000414864255 309106219 /nfs/dbraw/zinc/10/62/19/309106219.db2.gz JUDVAYMUUWTYHF-UHFFFAOYSA-N 1 0 345.399 3.334 20 5 EGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1NCCc2ccccc21 ZINC000414959543 309111708 /nfs/dbraw/zinc/11/17/08/309111708.db2.gz SKILWAXNFPKGIG-BEFAXECRSA-N 1 0 339.439 3.393 20 5 EGBDRO CC(C)(C)[C@@H](C[NH3+])NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000415429054 309133276 /nfs/dbraw/zinc/13/32/76/309133276.db2.gz ASJRPQAKEXGCTH-LLVKDONJSA-N 1 0 348.325 3.109 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000415487668 309134908 /nfs/dbraw/zinc/13/49/08/309134908.db2.gz UHWDHUARGANRLP-OAHLLOKOSA-N 1 0 334.420 3.241 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000415571510 309137286 /nfs/dbraw/zinc/13/72/86/309137286.db2.gz ACARVOVKBWMIMP-OAHLLOKOSA-N 1 0 334.420 3.241 20 5 EGBDRO CC[NH2+]CC1CCN(C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)CC1 ZINC000415582697 309137405 /nfs/dbraw/zinc/13/74/05/309137405.db2.gz PTVIAMFVOFMLIA-UHFFFAOYSA-N 1 0 334.420 3.065 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCc3n[nH]cc3C1)CCCC2 ZINC000417314044 309201331 /nfs/dbraw/zinc/20/13/31/309201331.db2.gz XXJJVNLUKMJLCW-KDOFPFPSSA-N 1 0 326.400 3.233 20 5 EGBDRO Cc1cc(N2CCC[C@H]([C@@H](C)[NH3+])C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420195416 309277041 /nfs/dbraw/zinc/27/70/41/309277041.db2.gz VXADKOPMEFCREX-MNOVXSKESA-N 1 0 331.338 3.486 20 5 EGBDRO Cc1cc(N(C)CC[C@H]([NH3+])C(C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000420205014 309277140 /nfs/dbraw/zinc/27/71/40/309277140.db2.gz MNVCQIDKSZFGCC-INIZCTEOSA-N 1 0 343.431 3.170 20 5 EGBDRO [NH3+][C@@H]1CCC[C@@H]2CN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)C[C@H]21 ZINC000420224931 309277463 /nfs/dbraw/zinc/27/74/63/309277463.db2.gz CAYXZILVOIECOZ-BZUAXINKSA-N 1 0 338.411 3.220 20 5 EGBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@]1(C)Cc1ccc(F)cc1 ZINC000420922862 309301421 /nfs/dbraw/zinc/30/14/21/309301421.db2.gz GMQOLQPDLGASEA-KRWDZBQOSA-N 1 0 332.379 3.065 20 5 EGBDRO CN(C(=O)C[N@@H+]1CC[C@H](C2CCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000420967437 309305057 /nfs/dbraw/zinc/30/50/57/309305057.db2.gz YTHXXHOIFWCZTH-HNNXBMFYSA-N 1 0 331.416 3.070 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000421796227 309340518 /nfs/dbraw/zinc/34/05/18/309340518.db2.gz NCJOSCZSFNGOFH-UHFFFAOYSA-N 1 0 347.459 3.406 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1c2ccccc2C[C@@H]1C[NH3+] ZINC000422627903 309362833 /nfs/dbraw/zinc/36/28/33/309362833.db2.gz QYNYRMVUHRFENJ-OAHLLOKOSA-N 1 0 339.395 3.050 20 5 EGBDRO C[C@@H](CC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)[C@@H]1CCC[NH2+]C1 ZINC000423730119 309410894 /nfs/dbraw/zinc/41/08/94/309410894.db2.gz VXWWFDJJOHQQFW-GOEBONIOSA-N 1 0 345.443 3.112 20 5 EGBDRO C[C@@H](CC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)C1CC[NH2+]CC1 ZINC000423728712 309410907 /nfs/dbraw/zinc/41/09/07/309410907.db2.gz UADIASDUCKNBJT-AWEZNQCLSA-N 1 0 345.443 3.112 20 5 EGBDRO [NH3+][C@@H](CCC(=O)NCc1ccccc1[N+](=O)[O-])CC1CCCCC1 ZINC000424088715 309429034 /nfs/dbraw/zinc/42/90/34/309429034.db2.gz UWUIWPLWPLTBKV-INIZCTEOSA-N 1 0 333.432 3.289 20 5 EGBDRO COCC(C)(C)[NH+]1CCN(C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000425352538 309475494 /nfs/dbraw/zinc/47/54/94/309475494.db2.gz OOPKAGCRSSNIID-VBKFSLOCSA-N 1 0 347.459 3.041 20 5 EGBDRO CO[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425437151 309480293 /nfs/dbraw/zinc/48/02/93/309480293.db2.gz XVJQXVUOBVSZSI-OCCSQVGLSA-N 1 0 343.221 3.405 20 5 EGBDRO C[C@@H]([NH3+])[C@H]1CCCCN1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000435387617 309731342 /nfs/dbraw/zinc/73/13/42/309731342.db2.gz BLHPWSCYHYHNKS-MLGOLLRUSA-N 1 0 346.456 3.420 20 5 EGBDRO COCC[C@]1([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCOC1 ZINC000447083604 309973873 /nfs/dbraw/zinc/97/38/73/309973873.db2.gz BVSALOUZFLCYAS-SFHVURJKSA-N 1 0 346.383 3.140 20 5 EGBDRO COc1ccc(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1F ZINC000447559879 309982127 /nfs/dbraw/zinc/98/21/27/309982127.db2.gz BKRQQBJMKHVTII-LSDHHAIUSA-N 1 0 348.378 3.213 20 5 EGBDRO CCc1noc(CC)c1C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447578966 309982950 /nfs/dbraw/zinc/98/29/50/309982950.db2.gz IHLUTFKZXZHBLC-CABCVRRESA-N 1 0 347.419 3.178 20 5 EGBDRO C[C@@H]1C[C@H](CC[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCO1 ZINC000447602953 309983972 /nfs/dbraw/zinc/98/39/72/309983972.db2.gz URLZQPCNTQDXLA-FPCVCCKLSA-N 1 0 336.436 3.070 20 5 EGBDRO COCC[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@@H]1CCCSC1 ZINC000448375626 310003353 /nfs/dbraw/zinc/00/33/53/310003353.db2.gz UTVOLTYUQHLXCE-IEXSPKMKSA-N 1 0 336.457 3.452 20 5 EGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000449075610 310035070 /nfs/dbraw/zinc/03/50/70/310035070.db2.gz NRSAITLEOUAYOB-HNNXBMFYSA-N 1 0 340.427 3.311 20 5 EGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCN(c2ccccc2)C1 ZINC000449125064 310038715 /nfs/dbraw/zinc/03/87/15/310038715.db2.gz ICFDPXFQDAMRGX-NVXWUHKLSA-N 1 0 325.412 3.394 20 5 EGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCO[C@]2(CCSC2)C1 ZINC000449188881 310043430 /nfs/dbraw/zinc/04/34/30/310043430.db2.gz GQOYJNSSDNQGEN-FRFSOERESA-N 1 0 336.457 3.170 20 5 EGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](O)CCc1ccccc1 ZINC000449238374 310046760 /nfs/dbraw/zinc/04/67/60/310046760.db2.gz GDAHUDMSSQNNCU-QAPCUYQASA-N 1 0 328.412 3.109 20 5 EGBDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cccc4ccoc43)CC2)n1 ZINC000449286489 310050328 /nfs/dbraw/zinc/05/03/28/310050328.db2.gz HLNWMUFLDFWFNR-UHFFFAOYSA-N 1 0 326.356 3.375 20 5 EGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@](C)(CO)c1ccccc1 ZINC000449320719 310053107 /nfs/dbraw/zinc/05/31/07/310053107.db2.gz OYKOMTBZFGOCPP-KXBFYZLASA-N 1 0 328.412 3.066 20 5 EGBDRO CC[C@@H](C)[C@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)OC ZINC000449403775 310059293 /nfs/dbraw/zinc/05/92/93/310059293.db2.gz XOOMWTGHGZKVQP-YGRLFVJLSA-N 1 0 332.347 3.347 20 5 EGBDRO CC(C)(C[C@H]1CCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1)C(N)=O ZINC000449410588 310059721 /nfs/dbraw/zinc/05/97/21/310059721.db2.gz XXXCRILBWDBRBC-WUKHSURWSA-N 1 0 345.443 3.222 20 5 EGBDRO Cn1cc(Cl)c(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])n1 ZINC000449476107 310065112 /nfs/dbraw/zinc/06/51/12/310065112.db2.gz GDLJGOLDBJMNSH-WFASDCNBSA-N 1 0 348.834 3.483 20 5 EGBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1CCCC1(F)F ZINC000449496055 310066920 /nfs/dbraw/zinc/06/69/20/310066920.db2.gz PISMZOVOAXGVOG-VXGBXAGGSA-N 1 0 341.358 3.337 20 5 EGBDRO CCN1C[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1=O ZINC000449515873 310068642 /nfs/dbraw/zinc/06/86/42/310068642.db2.gz BZKAPEHYGTYXQD-ZDUSSCGKSA-N 1 0 345.424 3.034 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCO[C@H](c3ccncc3)C2)c(F)c1 ZINC000449535299 310069785 /nfs/dbraw/zinc/06/97/85/310069785.db2.gz HJMPZVZLARWZIU-YOEHRIQHSA-N 1 0 331.347 3.139 20 5 EGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCO[C@H](c2ccncc2)C1 ZINC000449548398 310070583 /nfs/dbraw/zinc/07/05/83/310070583.db2.gz MZWAHODMODRQPN-LJHODMEESA-N 1 0 341.411 3.431 20 5 EGBDRO CC(C)CCSc1ccc(C(=O)N[C@H](C)[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000449590662 310074202 /nfs/dbraw/zinc/07/42/02/310074202.db2.gz LMGDWHQZUSDKBD-VXGBXAGGSA-N 1 0 339.461 3.199 20 5 EGBDRO C[C@H]1CN(c2nc3ccccc3cc2[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000450546109 310129319 /nfs/dbraw/zinc/12/93/19/310129319.db2.gz DTKQDNUCYLEQFP-CYBMUJFWSA-N 1 0 326.400 3.064 20 5 EGBDRO Cc1nc(NCC2([N@H+](C)Cc3ccccc3)CCC2)ncc1[N+](=O)[O-] ZINC000450709446 310138643 /nfs/dbraw/zinc/13/86/43/310138643.db2.gz FBIKCFVYIJRWBE-UHFFFAOYSA-N 1 0 341.415 3.160 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(N2CC[N@H+](Cc3ccccc3)C[C@H](C)C2)n1 ZINC000450811640 310143732 /nfs/dbraw/zinc/14/37/32/310143732.db2.gz OGSPYKCSAVBZLW-HNNXBMFYSA-N 1 0 340.427 3.257 20 5 EGBDRO CC1(C)CCC[N@@H+]1CCNc1ncc(Br)cc1[N+](=O)[O-] ZINC000450950719 310151640 /nfs/dbraw/zinc/15/16/40/310151640.db2.gz NKMDQOWOLITWDK-UHFFFAOYSA-N 1 0 343.225 3.039 20 5 EGBDRO C[C@@H](c1ccccc1)[C@@H](O)C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000450975759 310153020 /nfs/dbraw/zinc/15/30/20/310153020.db2.gz PFRZEGPHQXAXMH-KXBFYZLASA-N 1 0 328.412 3.234 20 5 EGBDRO CO[C@@]1(C)C[C@@H]([NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1(C)C ZINC000451481686 310180441 /nfs/dbraw/zinc/18/04/41/310180441.db2.gz BGJSBHIPNCIPNT-QAPCUYQASA-N 1 0 349.431 3.025 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H]1C[C@@H](OC(C)C)C1(C)C ZINC000451499223 310181300 /nfs/dbraw/zinc/18/13/00/310181300.db2.gz MTHUYLUQNJJHPQ-LSDHHAIUSA-N 1 0 349.431 3.023 20 5 EGBDRO CC(C)N1CCC[C@@H]([N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1=O ZINC000451551786 310185624 /nfs/dbraw/zinc/18/56/24/310185624.db2.gz VIMFUKDBOLWAHD-SJLPKXTDSA-N 1 0 345.443 3.174 20 5 EGBDRO Cc1csc(=O)n1CC[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451564010 310186752 /nfs/dbraw/zinc/18/67/52/310186752.db2.gz KLDJRQKINIVXRF-HNNXBMFYSA-N 1 0 347.440 3.006 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]([C@H](CO)C1CC1)C1CC1 ZINC000451607615 310188920 /nfs/dbraw/zinc/18/89/20/310188920.db2.gz MZZCOWQLNZLUMG-MJGOQNOKSA-N 1 0 348.443 3.269 20 5 EGBDRO COc1cc(C[N@@H+](C)[C@H]2C[C@H](OC)C23CCC3)c([N+](=O)[O-])cc1F ZINC000451854391 310200500 /nfs/dbraw/zinc/20/05/00/310200500.db2.gz QGNMWXYKBMGOQZ-HOTGVXAUSA-N 1 0 338.379 3.132 20 5 EGBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@]2(CCSC2)C1 ZINC000451959525 310205174 /nfs/dbraw/zinc/20/51/74/310205174.db2.gz BBZMTCWMTZOHEN-GUYCJALGSA-N 1 0 349.456 3.141 20 5 EGBDRO CCO[C@@H]1CCC[C@H]1[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000452009498 310207477 /nfs/dbraw/zinc/20/74/77/310207477.db2.gz CPHSOIIBPVIIMJ-HZPDHXFCSA-N 1 0 331.372 3.297 20 5 EGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccnc(OC)n1 ZINC000453242617 310266301 /nfs/dbraw/zinc/26/63/01/310266301.db2.gz FKDDRKRFRCZJOL-LBPRGKRZSA-N 1 0 348.428 3.054 20 5 EGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@H]2CCCC2(F)F)n1 ZINC000453323520 310271016 /nfs/dbraw/zinc/27/10/16/310271016.db2.gz ULALIOHOEMBSIR-FRRDWIJNSA-N 1 0 328.363 3.300 20 5 EGBDRO Cc1cc(C)c(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cn1 ZINC000453345713 310272288 /nfs/dbraw/zinc/27/22/88/310272288.db2.gz FMRFCIYTLBMNPJ-JKSUJKDBSA-N 1 0 329.404 3.077 20 5 EGBDRO COc1cccnc1C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000453356315 310272706 /nfs/dbraw/zinc/27/27/06/310272706.db2.gz IDDILKDXBUDAEC-OAHLLOKOSA-N 1 0 327.384 3.109 20 5 EGBDRO CC[C@H]([NH2+][C@H]1CCO[C@H](c2nccn2C)C1)c1cccc([N+](=O)[O-])c1 ZINC000453416881 310276086 /nfs/dbraw/zinc/27/60/86/310276086.db2.gz ZMAJAYCFLXTQGM-XIRDDKMYSA-N 1 0 344.415 3.289 20 5 EGBDRO Cc1ccc(C[C@H](CO)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1C ZINC000453426367 310276615 /nfs/dbraw/zinc/27/66/15/310276615.db2.gz HCDLEMQDNASIQB-CRAIPNDOSA-N 1 0 328.412 3.466 20 5 EGBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H](C1CC1)C1CCC1 ZINC000453429731 310276711 /nfs/dbraw/zinc/27/67/11/310276711.db2.gz PYXDOZOGLWDHLW-XIKOKIGWSA-N 1 0 331.416 3.480 20 5 EGBDRO CCC[C@H]([NH2+][C@@H]1C[C@H]2CCCCN2C1=O)c1cccc([N+](=O)[O-])c1 ZINC000453433736 310276997 /nfs/dbraw/zinc/27/69/97/310276997.db2.gz KLQRVNPTEAYOKB-HYVNUMGLSA-N 1 0 331.416 3.179 20 5 EGBDRO Cc1ccc(CC[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)nc1 ZINC000453443120 310277376 /nfs/dbraw/zinc/27/73/76/310277376.db2.gz YIKZONLBWSCFSH-SFHVURJKSA-N 1 0 325.412 3.452 20 5 EGBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000454989011 310339195 /nfs/dbraw/zinc/33/91/95/310339195.db2.gz XFRUZSAJFJTDGD-KBPBESRZSA-N 1 0 336.436 3.075 20 5 EGBDRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)Cc3ccccc3[N+](=O)[O-])ccc21 ZINC000456264443 310395521 /nfs/dbraw/zinc/39/55/21/310395521.db2.gz NKTRZVPLUXVPFB-GOSISDBHSA-N 1 0 339.395 3.325 20 5 EGBDRO Cc1cc(NC(=O)Cc2ccccc2[N+](=O)[O-])ccc1C[NH+](C)C ZINC000458331172 310498608 /nfs/dbraw/zinc/49/86/08/310498608.db2.gz ZNSQKXRDHABVCN-UHFFFAOYSA-N 1 0 327.384 3.146 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@]1(C)CCCC[C@@H]1C ZINC000459605131 310563970 /nfs/dbraw/zinc/56/39/70/310563970.db2.gz CLQTXIKOLBRHGA-YVEFUNNKSA-N 1 0 335.404 3.100 20 5 EGBDRO CO[C@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)C12CCC2 ZINC000459724320 310570873 /nfs/dbraw/zinc/57/08/73/310570873.db2.gz ANIHQMCSIFSNPD-KGLIPLIRSA-N 1 0 342.342 3.243 20 5 EGBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000487462738 311024744 /nfs/dbraw/zinc/02/47/44/311024744.db2.gz PLEQDSXLALFABU-GJZGRUSLSA-N 1 0 347.459 3.495 20 5 EGBDRO O=[N+]([O-])c1ccc(CCCC[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000488120836 311052092 /nfs/dbraw/zinc/05/20/92/311052092.db2.gz RFVUZKKJCMXSAR-KURKYZTESA-N 1 0 330.428 3.465 20 5 EGBDRO CC[N@H+](CCc1ccccc1)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000488489651 311068142 /nfs/dbraw/zinc/06/81/42/311068142.db2.gz FRJNBLUQPKMTLI-OAHLLOKOSA-N 1 0 341.411 3.486 20 5 EGBDRO CC[N@H+](CCc1ccccc1)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000488489650 311068317 /nfs/dbraw/zinc/06/83/17/311068317.db2.gz FRJNBLUQPKMTLI-HNNXBMFYSA-N 1 0 341.411 3.486 20 5 EGBDRO C[NH+](C)CCc1ccc(NC(=O)/C=C\c2ccccc2[N+](=O)[O-])cc1 ZINC000491478131 311181313 /nfs/dbraw/zinc/18/13/13/311181313.db2.gz JTZDSFOCVVMCQP-XFXZXTDPSA-N 1 0 339.395 3.351 20 5 EGBDRO O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])NCCCCC[NH+]1CCCC1 ZINC000493031517 311319424 /nfs/dbraw/zinc/31/94/24/311319424.db2.gz ZKDHVMLNEVPIRN-VQHVLOKHSA-N 1 0 349.406 3.129 20 5 EGBDRO C[C@@H]([NH2+][C@H](COC(N)=O)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000496159588 311670932 /nfs/dbraw/zinc/67/09/32/311670932.db2.gz PCYWMQUYKZEUMZ-CJNGLKHVSA-N 1 0 343.383 3.366 20 5 EGBDRO CN(c1ccccc1)c1ccc(C[N@H+](CCO)C2CC2)cc1[N+](=O)[O-] ZINC000507133215 312060375 /nfs/dbraw/zinc/06/03/75/312060375.db2.gz UAJYHVLMHPGQAF-UHFFFAOYSA-N 1 0 341.411 3.319 20 5 EGBDRO CCN(C(=O)CN(C)CCc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000511144882 312155955 /nfs/dbraw/zinc/15/59/55/312155955.db2.gz UBJUUNDWMHJLQG-UHFFFAOYSA-N 1 0 347.459 3.250 20 5 EGBDRO C[C@@H](Cc1ccsc1)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000515297481 312274876 /nfs/dbraw/zinc/27/48/76/312274876.db2.gz SKIRTMFSFLISIW-LBPRGKRZSA-N 1 0 333.413 3.206 20 5 EGBDRO CCC[NH+]1CCC(N(C)C(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000517270179 312372825 /nfs/dbraw/zinc/37/28/25/312372825.db2.gz GBKFPOCPZXNXIY-CQSZACIVSA-N 1 0 333.432 3.031 20 5 EGBDRO CC1=CCC[C@H](C)[C@H]1C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000527201840 312840071 /nfs/dbraw/zinc/84/00/71/312840071.db2.gz PMEXGHMAXQUGNQ-RDJZCZTQSA-N 1 0 330.432 3.104 20 5 EGBDRO Cc1cc(N2CCc3nc(C)ncc3C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000543957795 314664553 /nfs/dbraw/zinc/66/45/53/314664553.db2.gz LNCPNQVMFCYOSK-UHFFFAOYSA-N 1 0 335.367 3.113 20 5 EGBDRO C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1C)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000548933921 315063892 /nfs/dbraw/zinc/06/38/92/315063892.db2.gz LQJIFQHIFWSILF-RVKKMQEKSA-N 1 0 347.459 3.153 20 5 EGBDRO C[C@H](C(=O)N(C)C1CCCCC1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000554843760 315351940 /nfs/dbraw/zinc/35/19/40/315351940.db2.gz MVNKDYRDQAZMFA-OAHLLOKOSA-N 1 0 347.459 3.249 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)C(=O)Nc1cccnc1C ZINC000562784472 315900095 /nfs/dbraw/zinc/90/00/95/315900095.db2.gz RIDVCFPTTUMQCC-JSGCOSHPSA-N 1 0 342.399 3.284 20 5 EGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@@H]1CCN(CC(F)(F)F)C1 ZINC000565430286 316323810 /nfs/dbraw/zinc/32/38/10/316323810.db2.gz DBHBTXOHELZEDE-SMDDNHRTSA-N 1 0 343.349 3.056 20 5 EGBDRO CN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)[C@@H]1CC[NH2+]C1 ZINC000566973909 316552030 /nfs/dbraw/zinc/55/20/30/316552030.db2.gz QQELEIVUWMNOFJ-GFCCVEGCSA-N 1 0 335.791 3.302 20 5 EGBDRO CCOC[C@H]1CCC[C@H]1[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000568795782 316823808 /nfs/dbraw/zinc/82/38/08/316823808.db2.gz FQFOTSNTVCTMHO-RHSMWYFYSA-N 1 0 331.416 3.413 20 5 EGBDRO C[C@]1(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCO[C@H]1C1CC1 ZINC000571372468 317188785 /nfs/dbraw/zinc/18/87/85/317188785.db2.gz FBTKISAORRPJLT-MXSMSXNCSA-N 1 0 348.447 3.070 20 5 EGBDRO Cc1ccc2nc(CNc3cc(C)[nH+]c4ccc([N+](=O)[O-])cc34)cn2c1 ZINC000571715207 317235822 /nfs/dbraw/zinc/23/58/22/317235822.db2.gz JXNCGOURCTZJON-UHFFFAOYSA-N 1 0 347.378 3.442 20 5 EGBDRO COc1ccc2c(c1F)CC[C@H]2[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000571956207 317270899 /nfs/dbraw/zinc/27/08/99/317270899.db2.gz GMFONPZVKKKZMH-MRXNPFEDSA-N 1 0 346.358 3.398 20 5 EGBDRO Cc1cccc(C)c1OC[C@H](O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173350374 323294919 /nfs/dbraw/zinc/29/49/19/323294919.db2.gz YYSXYMWYDNKIRR-MAUKXSAKSA-N 1 0 344.411 3.302 20 5 EGBDRO CC[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1c(C)noc1C ZINC000182500287 323556536 /nfs/dbraw/zinc/55/65/36/323556536.db2.gz OSPCBKNRFZWGSQ-ZDUSSCGKSA-N 1 0 346.387 3.269 20 5 EGBDRO Cc1cc(NC[C@H](C)C[NH+](C)C)c(Br)cc1[N+](=O)[O-] ZINC000388698289 324276820 /nfs/dbraw/zinc/27/68/20/324276820.db2.gz GWPPMKYOBQZPTF-VIFPVBQESA-N 1 0 330.226 3.275 20 5 EGBDRO Cn1ccnc1[C@@H]([NH2+]CC(C1CC1)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000576010055 324528387 /nfs/dbraw/zinc/52/83/87/324528387.db2.gz GTDSYIGIUUUNCH-SFHVURJKSA-N 1 0 340.427 3.444 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H](CO)c1ccc(F)cc1 ZINC000579928116 325177950 /nfs/dbraw/zinc/17/79/50/325177950.db2.gz KBJNHZIPDPFVQP-ZFWWWQNUSA-N 1 0 332.375 3.469 20 5 EGBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@H]3[C@H]4CCO[C@H]4C34CCC4)c2c1 ZINC000580004667 325188364 /nfs/dbraw/zinc/18/83/64/325188364.db2.gz ZKVOYYSXUOCPPA-FHLIZLRMSA-N 1 0 341.411 3.166 20 5 EGBDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000581344696 325352844 /nfs/dbraw/zinc/35/28/44/325352844.db2.gz NJBBIKAEAJQSSR-YJBOKZPZSA-N 1 0 347.459 3.325 20 5 EGBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c1 ZINC000173053627 455225111 /nfs/dbraw/zinc/22/51/11/455225111.db2.gz CDGKCPXZBUQYNN-NSHDSACASA-N 1 0 339.461 3.023 20 5 EGBDRO Cn1cc(C[NH2+]CCc2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237921676 455234249 /nfs/dbraw/zinc/23/42/49/455234249.db2.gz LDIOCXQIRDLJJL-UHFFFAOYSA-N 1 0 336.395 3.328 20 5 EGBDRO CCOCCN(CC)Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000264577995 455241029 /nfs/dbraw/zinc/24/10/29/455241029.db2.gz IWQDTETUCLJJQV-UHFFFAOYSA-N 1 0 348.346 3.063 20 5 EGBDRO CC[NH+](CC)Cc1ccc(C(=O)NCc2cccc([N+](=O)[O-])c2C)o1 ZINC000616489665 460570582 /nfs/dbraw/zinc/57/05/82/460570582.db2.gz PTIQSIXYWHETAI-UHFFFAOYSA-N 1 0 345.399 3.268 20 5 EGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000245593216 455337732 /nfs/dbraw/zinc/33/77/32/455337732.db2.gz GTZVNCFJIDRWBD-QIIPPGSGSA-N 1 0 343.427 3.131 20 5 EGBDRO CC[NH+](CC)CCSCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000174026233 455352066 /nfs/dbraw/zinc/35/20/66/455352066.db2.gz KRZNZANDEOHKMA-UHFFFAOYSA-N 1 0 336.417 3.220 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+]C(c1ccccc1)c1ccccc1 ZINC000012354046 453357733 /nfs/dbraw/zinc/35/77/33/453357733.db2.gz IKBXPJRMNJNVCI-UHFFFAOYSA-N 1 0 336.395 3.479 20 5 EGBDRO Cc1cccc(C(=O)NCC2([NH+](C)C)CCCCCC2)c1[N+](=O)[O-] ZINC000012768211 453400740 /nfs/dbraw/zinc/40/07/40/453400740.db2.gz OXVMWKRQYLFAEZ-UHFFFAOYSA-N 1 0 333.432 3.288 20 5 EGBDRO COc1ccc(C[N@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000026221423 453795042 /nfs/dbraw/zinc/79/50/42/453795042.db2.gz NWJXPTBNQJWNTQ-UHFFFAOYSA-N 1 0 343.383 3.064 20 5 EGBDRO CCC(CC)[C@H](CNc1nc2sccn2c1[N+](=O)[O-])[NH+](C)C ZINC000029873796 453832364 /nfs/dbraw/zinc/83/23/64/453832364.db2.gz RBJKAVNHRFCJIS-NSHDSACASA-N 1 0 325.438 3.082 20 5 EGBDRO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000066473757 453848084 /nfs/dbraw/zinc/84/80/84/453848084.db2.gz QENKJDVUSKNVQM-GDBMZVCRSA-N 1 0 333.432 3.112 20 5 EGBDRO CCCCNC(=O)[C@H]1CCC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000075676655 453916340 /nfs/dbraw/zinc/91/63/40/453916340.db2.gz ANAZBZIJSRKBJO-GJZGRUSLSA-N 1 0 333.432 3.284 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)N(C)[C@H](C)CC(C)C)cc1[N+](=O)[O-] ZINC000181823993 455386244 /nfs/dbraw/zinc/38/62/44/455386244.db2.gz ANSCSSFVTLHJFU-CABCVRRESA-N 1 0 335.448 3.447 20 5 EGBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000055405401 453982006 /nfs/dbraw/zinc/98/20/06/453982006.db2.gz VPOIISNMCDCCAI-VXGBXAGGSA-N 1 0 339.823 3.098 20 5 EGBDRO Cc1ccccc1C[N@@H+]1CCCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000042104201 453993844 /nfs/dbraw/zinc/99/38/44/453993844.db2.gz KMCLIIXEOVVWRG-UHFFFAOYSA-N 1 0 326.400 3.011 20 5 EGBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](CC(C)C)[NH+](C)C)c1 ZINC000042586113 454014702 /nfs/dbraw/zinc/01/47/02/454014702.db2.gz NAHWWVRJFWTHGY-LBPRGKRZSA-N 1 0 339.461 3.023 20 5 EGBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)NC1CCC(C)CC1 ZINC000056195915 454043255 /nfs/dbraw/zinc/04/32/55/454043255.db2.gz LAJRTUBEVUTDQY-IOSBVQAASA-N 1 0 333.432 3.329 20 5 EGBDRO CC(C)[N@@H+]1CCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 ZINC000068798634 454054743 /nfs/dbraw/zinc/05/47/43/454054743.db2.gz WNALQZGTXVQEFW-UHFFFAOYSA-N 1 0 347.440 3.366 20 5 EGBDRO Cc1c(NC(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000056530622 454065426 /nfs/dbraw/zinc/06/54/26/454065426.db2.gz ZHUCQSVQZAXTHJ-STQMWFEESA-N 1 0 334.420 3.145 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+](C)CC1CCCCC1 ZINC000043999849 454085677 /nfs/dbraw/zinc/08/56/77/454085677.db2.gz NRKFJGZLWWDKRS-ZDUSSCGKSA-N 1 0 349.431 3.443 20 5 EGBDRO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000265876509 455397487 /nfs/dbraw/zinc/39/74/87/455397487.db2.gz XBVLALNUBHKQJD-CJNGLKHVSA-N 1 0 349.431 3.330 20 5 EGBDRO C[NH+](C)C1CCN(c2ccc(Nc3ccc([N+](=O)[O-])cn3)cc2)CC1 ZINC000089266857 454131881 /nfs/dbraw/zinc/13/18/81/454131881.db2.gz PBDDTKZWOZXNEY-UHFFFAOYSA-N 1 0 341.415 3.264 20 5 EGBDRO CC(=O)NCCc1ccc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000089513230 454157636 /nfs/dbraw/zinc/15/76/36/454157636.db2.gz WJYQDCBUDQCASZ-AWEZNQCLSA-N 1 0 341.411 3.124 20 5 EGBDRO CCS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000089513258 454157667 /nfs/dbraw/zinc/15/76/67/454157667.db2.gz OWHPYVQELLXLNP-ZDUSSCGKSA-N 1 0 348.424 3.239 20 5 EGBDRO CC[N@@H+](Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])CC1CC1 ZINC000070014589 454164277 /nfs/dbraw/zinc/16/42/77/454164277.db2.gz CBZTUYPLZDFQTO-UHFFFAOYSA-N 1 0 330.331 3.437 20 5 EGBDRO CC[C@@H](NC(=O)C[C@H]([NH3+])c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000119358089 454189039 /nfs/dbraw/zinc/18/90/39/454189039.db2.gz GRIOOXCXAVYUTQ-DLBZAZTESA-N 1 0 327.384 3.252 20 5 EGBDRO COCC[N@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000046055476 454212580 /nfs/dbraw/zinc/21/25/80/454212580.db2.gz ZQBSVWQYLKFPBJ-UHFFFAOYSA-N 1 0 330.384 3.122 20 5 EGBDRO COC[C@H]1CCC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000089901074 454229687 /nfs/dbraw/zinc/22/96/87/454229687.db2.gz VKUOSJJQDCEYSN-ZDUSSCGKSA-N 1 0 331.372 3.108 20 5 EGBDRO CC[C@@H](CO)[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000078409690 454248827 /nfs/dbraw/zinc/24/88/27/454248827.db2.gz NCICYWWVAYLOKA-HNNXBMFYSA-N 1 0 329.400 3.223 20 5 EGBDRO O=C(CC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)NCC1CCCCC1 ZINC000131422745 454253214 /nfs/dbraw/zinc/25/32/14/454253214.db2.gz YWQZXMJWHBYOSC-UHFFFAOYSA-N 1 0 345.443 3.040 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000120325429 454287266 /nfs/dbraw/zinc/28/72/66/454287266.db2.gz GZQOGPKJCFWKES-AWEZNQCLSA-N 1 0 334.420 3.017 20 5 EGBDRO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)c3cc([N+](=O)[O-])c[nH]3)cc2)C1 ZINC000046934277 454303448 /nfs/dbraw/zinc/30/34/48/454303448.db2.gz SXGJUBYYQBFRFN-ZDUSSCGKSA-N 1 0 342.399 3.407 20 5 EGBDRO C[C@H](c1cccc(Cl)c1)[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090518156 454315054 /nfs/dbraw/zinc/31/50/54/454315054.db2.gz CBCXTIVTUCZBQO-GFCCVEGCSA-N 1 0 335.791 3.103 20 5 EGBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@H]1c1cccc(Cl)c1 ZINC000090517996 454315113 /nfs/dbraw/zinc/31/51/13/454315113.db2.gz YVSUQOBZEAWWIY-INIZCTEOSA-N 1 0 347.802 3.247 20 5 EGBDRO C[C@@H](C1CC1)[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccccc1 ZINC000090517441 454315177 /nfs/dbraw/zinc/31/51/77/454315177.db2.gz FDUGPDPEYWQUHE-HNNXBMFYSA-N 1 0 341.411 3.057 20 5 EGBDRO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000072663405 454324374 /nfs/dbraw/zinc/32/43/74/454324374.db2.gz HJWZCWFSNRFEAJ-CPUCHLNUSA-N 1 0 343.427 3.137 20 5 EGBDRO Cc1ccc([C@@H](C)[N@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000061255699 454333624 /nfs/dbraw/zinc/33/36/24/454333624.db2.gz FLMBGRUVNFLBQT-CRAIPNDOSA-N 1 0 344.411 3.336 20 5 EGBDRO Cc1c([C@@H](C)[NH2+][C@@H]2CCN(c3ccccn3)C2)cccc1[N+](=O)[O-] ZINC000090801577 454341464 /nfs/dbraw/zinc/34/14/64/454341464.db2.gz NTUFUASFEQEMFR-HUUCEWRRSA-N 1 0 326.400 3.228 20 5 EGBDRO CC[C@H](CSC)[N@H+](C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000091097903 454383517 /nfs/dbraw/zinc/38/35/17/454383517.db2.gz PYUXESQTEIKOMW-CYBMUJFWSA-N 1 0 339.461 3.305 20 5 EGBDRO Cc1c(NC(=O)CC[N@@H+]([C@H](C)C2CC2)C2CC2)cccc1[N+](=O)[O-] ZINC000121402343 454430636 /nfs/dbraw/zinc/43/06/36/454430636.db2.gz XFEJLCKFUZBMSR-CYBMUJFWSA-N 1 0 331.416 3.495 20 5 EGBDRO O=[N+]([O-])c1ccc(CCN2CC[NH+](CCc3cccs3)CC2)cc1 ZINC000064352827 454475541 /nfs/dbraw/zinc/47/55/41/454475541.db2.gz FSKHSRJUHIJQKB-UHFFFAOYSA-N 1 0 345.468 3.059 20 5 EGBDRO CC[NH+](CC)[C@H]1CCN(C(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)C1 ZINC000091984651 454499982 /nfs/dbraw/zinc/49/99/82/454499982.db2.gz FVSBNULFIGBPBD-HNNXBMFYSA-N 1 0 333.432 3.076 20 5 EGBDRO COC(=O)[C@@H](C)C[N@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000091985995 454500017 /nfs/dbraw/zinc/50/00/17/454500017.db2.gz DSGTYPCSCNIBDC-LBPRGKRZSA-N 1 0 332.356 3.096 20 5 EGBDRO CC(C)CC[NH+]1CCC(CNC(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000079995751 454513235 /nfs/dbraw/zinc/51/32/35/454513235.db2.gz GVGBKUNLSXPVMH-UHFFFAOYSA-N 1 0 333.432 3.083 20 5 EGBDRO Cc1c(C[N@H+](CCO)[C@H]2CCc3ccccc32)cccc1[N+](=O)[O-] ZINC000074311936 454561445 /nfs/dbraw/zinc/56/14/45/454561445.db2.gz VGXJHFPHAXWIGE-IBGZPJMESA-N 1 0 326.396 3.385 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCC[C@H]3CO)o2)c(Cl)c1 ZINC000092455551 454568293 /nfs/dbraw/zinc/56/82/93/454568293.db2.gz BUDQXIPMSXTNSW-LBPRGKRZSA-N 1 0 336.775 3.465 20 5 EGBDRO CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000122790088 454569552 /nfs/dbraw/zinc/56/95/52/454569552.db2.gz NNHPBKGAJLMZDP-KGLIPLIRSA-N 1 0 335.404 3.130 20 5 EGBDRO Cc1ccc(NC(=O)Cc2cccc([N+](=O)[O-])c2C)c(C[NH+](C)C)c1 ZINC000123070643 454600070 /nfs/dbraw/zinc/60/00/70/454600070.db2.gz XTLHOIXMZZUBCV-UHFFFAOYSA-N 1 0 341.411 3.454 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CC3CC3)C2)cc1OC(F)F ZINC000092652063 454600704 /nfs/dbraw/zinc/60/07/04/454600704.db2.gz DQZDHOUSLFGACP-LBPRGKRZSA-N 1 0 327.331 3.092 20 5 EGBDRO C[NH+](C)CCN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C1CCCC1 ZINC000134928361 454611463 /nfs/dbraw/zinc/61/14/63/454611463.db2.gz NLGVEOYOIRHHQB-UHFFFAOYSA-N 1 0 339.823 3.195 20 5 EGBDRO CCCCNC(=O)[C@@H]1CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000092710173 454616196 /nfs/dbraw/zinc/61/61/96/454616196.db2.gz VASRVGQDSKBUDJ-RCMYXZNBSA-N 1 0 345.443 3.236 20 5 EGBDRO COc1ccccc1[C@H](CNc1cc(C)c([N+](=O)[O-])cn1)[NH+](C)C ZINC000074725882 454625188 /nfs/dbraw/zinc/62/51/88/454625188.db2.gz JUBVHSOUHZKSMQ-HNNXBMFYSA-N 1 0 330.388 3.022 20 5 EGBDRO Cc1ccc([C@H](CNc2cc(C)c([N+](=O)[O-])cn2)[NH+]2CCCC2)o1 ZINC000074745981 454628918 /nfs/dbraw/zinc/62/89/18/454628918.db2.gz UJROCMBMZHETAU-HNNXBMFYSA-N 1 0 330.388 3.449 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C/CN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000093683441 454729355 /nfs/dbraw/zinc/72/93/55/454729355.db2.gz XFSDLNDYMANMIW-JKNJVXJCSA-N 1 0 329.444 3.416 20 5 EGBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2ccccc2CO)cc1[N+](=O)[O-] ZINC000153162798 454766284 /nfs/dbraw/zinc/76/62/84/454766284.db2.gz VMIBEWHSOUSIGC-CYBMUJFWSA-N 1 0 330.384 3.337 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)cnc1NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000153517640 454802051 /nfs/dbraw/zinc/80/20/51/454802051.db2.gz KYJOOJDLBAXHOX-ZDUSSCGKSA-N 1 0 336.779 3.485 20 5 EGBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000139952327 454813970 /nfs/dbraw/zinc/81/39/70/454813970.db2.gz MUTOVFCMEYNQIS-JKIFEVAISA-N 1 0 346.431 3.464 20 5 EGBDRO C[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C[C@@H]1CCCOC1 ZINC000153634640 454815577 /nfs/dbraw/zinc/81/55/77/454815577.db2.gz QFVUIMHVPDSLAU-ZDUSSCGKSA-N 1 0 331.372 3.108 20 5 EGBDRO CC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CCc1ccccc1 ZINC000154082119 454863787 /nfs/dbraw/zinc/86/37/87/454863787.db2.gz RJLLJDPJQGYQOT-UHFFFAOYSA-N 1 0 341.411 3.488 20 5 EGBDRO CC[C@@H](C)[C@H](O)C[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000112381129 454885273 /nfs/dbraw/zinc/88/52/73/454885273.db2.gz MNSFFOGZNGQFLD-SJKOYZFVSA-N 1 0 348.399 3.360 20 5 EGBDRO Cc1cc(C(=O)NCc2ccc(C[NH+](C)C)c(F)c2)ccc1[N+](=O)[O-] ZINC000154629031 454914143 /nfs/dbraw/zinc/91/41/43/454914143.db2.gz PYDWCKRYSLLOFW-UHFFFAOYSA-N 1 0 345.374 3.034 20 5 EGBDRO C[NH+](C)C(C)(C)CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000113312627 454922312 /nfs/dbraw/zinc/92/23/12/454922312.db2.gz VJVKGKOAFIRXNR-UHFFFAOYSA-N 1 0 334.445 3.148 20 5 EGBDRO CC[NH+](CC)CCN(CCC(F)(F)F)c1cc(C)c([N+](=O)[O-])cn1 ZINC000178799572 454978416 /nfs/dbraw/zinc/97/84/16/454978416.db2.gz LDVLREJMSSMJRF-UHFFFAOYSA-N 1 0 348.369 3.399 20 5 EGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@H]1CCO[C@]2(CCSC2)C1 ZINC000151391720 454978818 /nfs/dbraw/zinc/97/88/18/454978818.db2.gz TVMQWSBJQQOWCP-DZGCQCFKSA-N 1 0 342.848 3.393 20 5 EGBDRO CC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000155646753 455026584 /nfs/dbraw/zinc/02/65/84/455026584.db2.gz JYCRNUCGQCVHPR-INIZCTEOSA-N 1 0 333.432 3.066 20 5 EGBDRO CC(C)CCSc1ccc(C(=O)NC(C)(C)C[NH3+])cc1[N+](=O)[O-] ZINC000151884787 455044655 /nfs/dbraw/zinc/04/46/55/455044655.db2.gz XEJSARTVTCWFGN-UHFFFAOYSA-N 1 0 339.461 3.200 20 5 EGBDRO Cc1cc(C(=O)NC[C@@H]([NH3+])c2ccc(C(C)C)cc2)ccc1[N+](=O)[O-] ZINC000151978260 455057016 /nfs/dbraw/zinc/05/70/16/455057016.db2.gz FFJVREMHQNNSSX-QGZVFWFLSA-N 1 0 341.411 3.456 20 5 EGBDRO C[C@H]1CCCC[C@H]1[N@H+](C)CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000117334880 455083652 /nfs/dbraw/zinc/08/36/52/455083652.db2.gz JMHGIVSOBNDFSJ-DZGCQCFKSA-N 1 0 347.415 3.403 20 5 EGBDRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000171708750 455087688 /nfs/dbraw/zinc/08/76/88/455087688.db2.gz XCAHUZWOQBAFMF-LLVKDONJSA-N 1 0 345.424 3.024 20 5 EGBDRO COC(=O)[C@@H](C)CN(Cc1c(Cl)cccc1[N+](=O)[O-])C1CC1 ZINC000118948203 455117415 /nfs/dbraw/zinc/11/74/15/455117415.db2.gz GHHNLWQZASVBIK-JTQLQIEISA-N 1 0 326.780 3.022 20 5 EGBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000152497177 455127690 /nfs/dbraw/zinc/12/76/90/455127690.db2.gz HASWUQYUFOGVHU-QGZVFWFLSA-N 1 0 345.443 3.004 20 5 EGBDRO O=[N+]([O-])c1cnc(NC2CC[NH+](Cc3ccncc3)CC2)c(Cl)c1 ZINC000172408792 455151822 /nfs/dbraw/zinc/15/18/22/455151822.db2.gz ZNQZJOJYIWSDEQ-UHFFFAOYSA-N 1 0 347.806 3.115 20 5 EGBDRO C[C@@H](NC(=O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000180442710 455171051 /nfs/dbraw/zinc/17/10/51/455171051.db2.gz ZZMCATASSQKZEB-NWDGAFQWSA-N 1 0 333.413 3.184 20 5 EGBDRO C[C@@H]([NH2+][C@@H](C)C(=O)NCC1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000180452343 455173004 /nfs/dbraw/zinc/17/30/04/455173004.db2.gz ARBMUOBQXZSMLD-KGLIPLIRSA-N 1 0 333.432 3.330 20 5 EGBDRO COc1ccc([C@@H]2CCCCC[N@@H+]2CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000157482485 455199147 /nfs/dbraw/zinc/19/91/47/455199147.db2.gz FYFRRLSUMGBGFK-SFHVURJKSA-N 1 0 344.415 3.417 20 5 EGBDRO CC(C)(C)[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1cccc(F)c1 ZINC000181056905 455281196 /nfs/dbraw/zinc/28/11/96/455281196.db2.gz YCEXTMYOCKFZCC-KRWDZBQOSA-N 1 0 347.390 3.273 20 5 EGBDRO Cc1c(NC(=O)CC[N@@H+]2CCC[C@H]3CCC[C@H]32)cccc1[N+](=O)[O-] ZINC000245455078 455305115 /nfs/dbraw/zinc/30/51/15/455305115.db2.gz SJVAUPAOSFDVNK-RHSMWYFYSA-N 1 0 331.416 3.496 20 5 EGBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CCCc2nccs2)c1 ZINC000265625758 455351825 /nfs/dbraw/zinc/35/18/25/455351825.db2.gz QTIQMOLQLJBBME-UHFFFAOYSA-N 1 0 343.355 3.375 20 5 EGBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000174105160 455359867 /nfs/dbraw/zinc/35/98/67/455359867.db2.gz RKGLCBWIKRQKMT-LSDHHAIUSA-N 1 0 348.447 3.029 20 5 EGBDRO Cc1cccc(C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1[N+](=O)[O-] ZINC000181660609 455369498 /nfs/dbraw/zinc/36/94/98/455369498.db2.gz KQQXXXIZKMTEKK-LSDHHAIUSA-N 1 0 345.443 3.286 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)NCC2CCCCC2)cc1[N+](=O)[O-] ZINC000181816750 455385973 /nfs/dbraw/zinc/38/59/73/455385973.db2.gz KZSLOAFNIVPYNO-AWEZNQCLSA-N 1 0 333.432 3.250 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)N2[C@H](C)CCC[C@H]2C)cc1[N+](=O)[O-] ZINC000245881017 455391793 /nfs/dbraw/zinc/39/17/93/455391793.db2.gz NRAXCWCUWQCTKU-KFWWJZLASA-N 1 0 333.432 3.343 20 5 EGBDRO CCc1ccccc1NC(=O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000182022839 455418317 /nfs/dbraw/zinc/41/83/17/455418317.db2.gz VFHYXSDLTWBUPV-CYBMUJFWSA-N 1 0 327.384 3.447 20 5 EGBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCC[NH+]1CCCCC1 ZINC000184652862 455421347 /nfs/dbraw/zinc/42/13/47/455421347.db2.gz LHDLXCFJBAEPDB-KRWDZBQOSA-N 1 0 347.459 3.156 20 5 EGBDRO O=[N+]([O-])c1ccc2oc(C[NH2+][C@@H]3CCO[C@H]3c3ccccc3)nc2c1 ZINC000191958527 455534546 /nfs/dbraw/zinc/53/45/46/455534546.db2.gz POCDWCYSGBACPT-KDOFPFPSSA-N 1 0 339.351 3.356 20 5 EGBDRO Cc1cnc([C@H]([NH2+]CCOc2ccccc2[N+](=O)[O-])C2CC2)s1 ZINC000185332792 455540865 /nfs/dbraw/zinc/54/08/65/455540865.db2.gz YQJJAAUMLJCYCJ-OAHLLOKOSA-N 1 0 333.413 3.479 20 5 EGBDRO CCn1cnnc1[C@H]1CCC[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000182731628 455578209 /nfs/dbraw/zinc/57/82/09/455578209.db2.gz UBULCYMRAIZQOH-GJZGRUSLSA-N 1 0 343.431 3.455 20 5 EGBDRO CC[C@@H]1[C@@H](C)CC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000185678901 455594444 /nfs/dbraw/zinc/59/44/44/455594444.db2.gz LSUIXBYSWFFZKE-SWLSCSKDSA-N 1 0 335.404 3.052 20 5 EGBDRO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@H]2C[C@H](O)c2ccco2)c1 ZINC000268231459 455625536 /nfs/dbraw/zinc/62/55/36/455625536.db2.gz FCDRUUSQXDQATC-YOEHRIQHSA-N 1 0 346.383 3.155 20 5 EGBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])c3cnccc32)CC[N@@H+](C2CCC2)C1 ZINC000292353558 455637596 /nfs/dbraw/zinc/63/75/96/455637596.db2.gz QXPVMZHRNKADHG-AWEZNQCLSA-N 1 0 340.427 3.454 20 5 EGBDRO C[C@H]1CN(CCCOc2ccc([N+](=O)[O-])cc2)CC[N@@H+](C2CCC2)C1 ZINC000292400403 455651216 /nfs/dbraw/zinc/65/12/16/455651216.db2.gz SZJFDJZJKVALFA-INIZCTEOSA-N 1 0 347.459 3.170 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+][C@H](CO)Cc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000271497632 455660149 /nfs/dbraw/zinc/66/01/49/455660149.db2.gz LRDLXAXCMDGEEE-DYVFJYSZSA-N 1 0 332.375 3.297 20 5 EGBDRO C[C@](O)(C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000271523333 455671955 /nfs/dbraw/zinc/67/19/55/455671955.db2.gz OSXBIQZWITWZSL-KYOSRNDESA-N 1 0 346.349 3.209 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@H]1CCCC[C@H]1C ZINC000192799711 455696020 /nfs/dbraw/zinc/69/60/20/455696020.db2.gz OXFRBJUZKSQTAM-CJNGLKHVSA-N 1 0 349.431 3.443 20 5 EGBDRO C[C@H](c1cccs1)[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248374288 455708719 /nfs/dbraw/zinc/70/87/19/455708719.db2.gz PDMGTAMGFGKNCL-CHWSQXEVSA-N 1 0 336.413 3.089 20 5 EGBDRO CC[C@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000271656228 455712930 /nfs/dbraw/zinc/71/29/30/455712930.db2.gz KELOBFSOMPJSOD-KRWDZBQOSA-N 1 0 327.384 3.299 20 5 EGBDRO Cc1cc([C@@H](C)[NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)ccc1F ZINC000271675848 455719596 /nfs/dbraw/zinc/71/95/96/455719596.db2.gz APPIJIHVNXJRBP-CYBMUJFWSA-N 1 0 345.374 3.356 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@@H](CO)c1ccc(F)cc1)CCC2 ZINC000278160348 455773480 /nfs/dbraw/zinc/77/34/80/455773480.db2.gz AVCNPDQYPWPYGH-ROUUACIJSA-N 1 0 330.359 3.435 20 5 EGBDRO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000249774592 455775961 /nfs/dbraw/zinc/77/59/61/455775961.db2.gz VPWNEQCJSRZNIB-LXTVHRRPSA-N 1 0 333.432 3.138 20 5 EGBDRO C[C@@H](CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)C[NH+](C)C ZINC000293900750 455800661 /nfs/dbraw/zinc/80/06/61/455800661.db2.gz REMWZRJFWDQEBD-ZDUSSCGKSA-N 1 0 337.423 3.021 20 5 EGBDRO C[C@H](C[C@@H](O)c1ccc(F)cc1)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285306356 455821817 /nfs/dbraw/zinc/82/18/17/455821817.db2.gz SHAJVFISQOQCAW-SEDUGSJDSA-N 1 0 347.390 3.479 20 5 EGBDRO Cc1ccccc1NC(=O)[C@H](C)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000285446701 455847412 /nfs/dbraw/zinc/84/74/12/455847412.db2.gz YAQMRDQKGLSJHK-HNNXBMFYSA-N 1 0 341.411 3.405 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000194480820 455848616 /nfs/dbraw/zinc/84/86/16/455848616.db2.gz MNHMYFIUTAMSIX-ZDUSSCGKSA-N 1 0 333.432 3.144 20 5 EGBDRO Cc1ccc([C@H](CNC(=O)c2c(C)cccc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000194494263 455849967 /nfs/dbraw/zinc/84/99/67/455849967.db2.gz RTTUHUFQCSJIJR-KRWDZBQOSA-N 1 0 341.411 3.244 20 5 EGBDRO C[C@H]1COCC[C@@H]1C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000285462378 455850594 /nfs/dbraw/zinc/85/05/94/455850594.db2.gz JWSRNYANPNBRIJ-GXTWGEPZSA-N 1 0 347.440 3.481 20 5 EGBDRO COC(=O)[C@@H]1CC12CC[NH+]([C@@H](C)c1cc([N+](=O)[O-])ccc1C)CC2 ZINC000272273791 455898012 /nfs/dbraw/zinc/89/80/12/455898012.db2.gz DOLAUVNRHIGKEI-BBRMVZONSA-N 1 0 332.400 3.239 20 5 EGBDRO C[C@@](O)(C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000270231885 455908247 /nfs/dbraw/zinc/90/82/47/455908247.db2.gz AIIOQUQGBBXTCD-MRXNPFEDSA-N 1 0 338.766 3.385 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C/CN1CC[NH2+]C[C@@H]1c1cccc(F)c1 ZINC000261773520 455945087 /nfs/dbraw/zinc/94/50/87/455945087.db2.gz SNIAQIDWPXCBHD-ZLHKHBAESA-N 1 0 341.386 3.394 20 5 EGBDRO CSc1cccc(C(=O)N2CC[NH+](C3CCCC3)CC2)c1[N+](=O)[O-] ZINC000188039470 455983468 /nfs/dbraw/zinc/98/34/68/455983468.db2.gz YFWBGXUBWDQPLJ-UHFFFAOYSA-N 1 0 349.456 3.017 20 5 EGBDRO C[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000296682963 456009286 /nfs/dbraw/zinc/00/92/86/456009286.db2.gz IOKLZAQIQPMYFK-KBXIAJHMSA-N 1 0 333.432 3.138 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000272633338 456021188 /nfs/dbraw/zinc/02/11/88/456021188.db2.gz XHOCLMOGGPVKHQ-CQSZACIVSA-N 1 0 348.447 3.406 20 5 EGBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000222033808 456044729 /nfs/dbraw/zinc/04/47/29/456044729.db2.gz UNTSCMIUHQHUDN-GJZGRUSLSA-N 1 0 349.456 3.063 20 5 EGBDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2ccc(N)cc2[N+](=O)[O-])C1 ZINC000286427384 456046831 /nfs/dbraw/zinc/04/68/31/456046831.db2.gz BMQDINLIPJOHGI-GJZGRUSLSA-N 1 0 332.448 3.268 20 5 EGBDRO O=[N+]([O-])c1ccc(CN2CCC[C@@H]2[C@@H](O)C(F)(F)F)c(Cl)c1 ZINC000272757498 456062343 /nfs/dbraw/zinc/06/23/43/456062343.db2.gz BQVMKIBBOJAABY-VXGBXAGGSA-N 1 0 338.713 3.136 20 5 EGBDRO O=[N+]([O-])c1ccc(NCCc2cn3ccccc3n2)cc1OC(F)F ZINC000301373854 456101775 /nfs/dbraw/zinc/10/17/75/456101775.db2.gz UVEOROHEPDNASX-UHFFFAOYSA-N 1 0 348.309 3.499 20 5 EGBDRO CC(=O)c1ccc(N[C@H]2CC[N@H+](CC3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000301483198 456126874 /nfs/dbraw/zinc/12/68/74/456126874.db2.gz XRNGGBSGAKIAHB-INIZCTEOSA-N 1 0 331.416 3.474 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]CCOCC(F)F ZINC000188748858 456127076 /nfs/dbraw/zinc/12/70/76/456127076.db2.gz HTSKEWMDXVAFEG-JSGCOSHPSA-N 1 0 328.359 3.177 20 5 EGBDRO COCCO[C@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000188818131 456145362 /nfs/dbraw/zinc/14/53/62/456145362.db2.gz RPCFJBSQKSADNL-INIZCTEOSA-N 1 0 346.383 3.092 20 5 EGBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000289878309 456165822 /nfs/dbraw/zinc/16/58/22/456165822.db2.gz WLLVMGUWDPKYSX-LBPRGKRZSA-N 1 0 339.461 3.167 20 5 EGBDRO Cc1nc(N2CCC[N@H+](CC3CCCCC3)CC2)ccc1[N+](=O)[O-] ZINC000301631200 456169323 /nfs/dbraw/zinc/16/93/23/456169323.db2.gz JFGZQFXQBNKZQB-UHFFFAOYSA-N 1 0 332.448 3.391 20 5 EGBDRO CC[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000273113835 456181924 /nfs/dbraw/zinc/18/19/24/456181924.db2.gz GORVMUSNGMPSOF-KRWDZBQOSA-N 1 0 348.424 3.109 20 5 EGBDRO Cc1nc(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000301671131 456182258 /nfs/dbraw/zinc/18/22/58/456182258.db2.gz QJHVACZSUVCBDM-CQSZACIVSA-N 1 0 326.400 3.009 20 5 EGBDRO Cc1ccc(C[C@H](CO)[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])cc1 ZINC000188967571 456185772 /nfs/dbraw/zinc/18/57/72/456185772.db2.gz RPRJWSGAEDZTTM-MJICGBHWSA-N 1 0 326.396 3.110 20 5 EGBDRO Cc1ccc(C[NH2+]C2CCN(CC(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC000263713452 456200035 /nfs/dbraw/zinc/20/00/35/456200035.db2.gz UVQGOUMIXFJERX-UHFFFAOYSA-N 1 0 331.338 3.020 20 5 EGBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC[C@@H]1CCO[C@@H](C)C1 ZINC000273188905 456207582 /nfs/dbraw/zinc/20/75/82/456207582.db2.gz PJVLZTMCLDMUKB-QLFBSQMISA-N 1 0 349.431 3.107 20 5 EGBDRO CCOc1cc(N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)ccc1[N+](=O)[O-] ZINC000301789251 456215388 /nfs/dbraw/zinc/21/53/88/456215388.db2.gz PZXCQOPXTNYSLY-PBHICJAKSA-N 1 0 345.443 3.447 20 5 EGBDRO CC(C)C[N@@H+]1CCC[C@H](CNc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000301795431 456216628 /nfs/dbraw/zinc/21/66/28/456216628.db2.gz SRHUVDCTPOSBKZ-GFCCVEGCSA-N 1 0 326.828 3.423 20 5 EGBDRO C[C@H](NC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C)c1ccc([N+](=O)[O-])cc1 ZINC000297532220 456244789 /nfs/dbraw/zinc/24/47/89/456244789.db2.gz IHPLUMLBJSKZOU-HOCLYGCPSA-N 1 0 348.447 3.172 20 5 EGBDRO COc1cc(NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000301955601 456258684 /nfs/dbraw/zinc/25/86/84/456258684.db2.gz KSBICYCUHCIJJS-NEPJUHHUSA-N 1 0 325.384 3.275 20 5 EGBDRO CCC[C@@H]1CN(c2ccc([N+](=O)[O-])cn2)CC[N@@H+]1Cc1ccccc1 ZINC000302014127 456269322 /nfs/dbraw/zinc/26/93/22/456269322.db2.gz KZGQBBRENCEAOF-GOSISDBHSA-N 1 0 340.427 3.481 20 5 EGBDRO CC[N@H+](C)C[C@@H]1CCN(c2cc(C)nc3c2cccc3[N+](=O)[O-])C1 ZINC000302046708 456275810 /nfs/dbraw/zinc/27/58/10/456275810.db2.gz YKYLHCNAHXBASO-AWEZNQCLSA-N 1 0 328.416 3.229 20 5 EGBDRO Cc1cnc(N(CC[NH+](C)C)Cc2ccccc2F)c([N+](=O)[O-])c1 ZINC000347724480 456329505 /nfs/dbraw/zinc/32/95/05/456329505.db2.gz SLFOZHQCUCCPEW-UHFFFAOYSA-N 1 0 332.379 3.006 20 5 EGBDRO CCCC[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000340240077 456335204 /nfs/dbraw/zinc/33/52/04/456335204.db2.gz RCPMQVQZEVYEKD-UHFFFAOYSA-N 1 0 347.337 3.075 20 5 EGBDRO COc1cc(N[C@H](C)C[NH+]2CCCCCC2)c(F)cc1[N+](=O)[O-] ZINC000302452749 456345279 /nfs/dbraw/zinc/34/52/79/456345279.db2.gz UAEXUGRFAVMVEM-GFCCVEGCSA-N 1 0 325.384 3.419 20 5 EGBDRO CC[C@H]([NH2+]C1CCN(c2cc(C)[nH]n2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000275926187 456353026 /nfs/dbraw/zinc/35/30/26/456353026.db2.gz QQUCONVXRRHDES-KRWDZBQOSA-N 1 0 343.431 3.336 20 5 EGBDRO [NH3+]CC[C@H]1CCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000281987491 456381985 /nfs/dbraw/zinc/38/19/85/456381985.db2.gz PHBNWHQGAOFSDF-LLVKDONJSA-N 1 0 333.413 3.011 20 5 EGBDRO Cc1cc(NC(=O)NCC2(C[NH+](C)C)CCCC2)ccc1[N+](=O)[O-] ZINC000352879307 456386096 /nfs/dbraw/zinc/38/60/96/456386096.db2.gz WAIGBOZZEXGLBW-UHFFFAOYSA-N 1 0 334.420 3.147 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3ccc4occc4c3)C2)nc1 ZINC000347844014 456400501 /nfs/dbraw/zinc/40/05/01/456400501.db2.gz AVQZOOCCMIQKGW-OAHLLOKOSA-N 1 0 338.367 3.422 20 5 EGBDRO CO[C@@H]1CCN(Cc2ccc(Br)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000282123035 456418436 /nfs/dbraw/zinc/41/84/36/456418436.db2.gz AWTKYGFZYPBOFR-ZYHUDNBSSA-N 1 0 343.221 3.357 20 5 EGBDRO COCCN(Cc1cccnc1)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000276285716 456433485 /nfs/dbraw/zinc/43/34/85/456433485.db2.gz GGAJESZCLUMZSK-UHFFFAOYSA-N 1 0 335.791 3.292 20 5 EGBDRO CC[C@@H](C)NC(=O)CC[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290849537 456446506 /nfs/dbraw/zinc/44/65/06/456446506.db2.gz JOOUCGIFTXKYGT-SECBINFHSA-N 1 0 348.230 3.296 20 5 EGBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000340430913 456456022 /nfs/dbraw/zinc/45/60/22/456456022.db2.gz IJAKDHUEJBXSKN-KBPBESRZSA-N 1 0 339.395 3.051 20 5 EGBDRO CN(CC[C@H]1CCCC[N@@H+]1C)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000343242041 456477361 /nfs/dbraw/zinc/47/73/61/456477361.db2.gz JKEQOSYSMDEJII-CQSZACIVSA-N 1 0 328.416 3.454 20 5 EGBDRO CCN(CCC[NH+]1CCCC1)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000276458974 456487719 /nfs/dbraw/zinc/48/77/19/456487719.db2.gz NNKMFRMGQBAMSX-UHFFFAOYSA-N 1 0 344.415 3.024 20 5 EGBDRO CC[C@@H]1CCC[C@@H]1[NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000348177051 456514938 /nfs/dbraw/zinc/51/49/38/456514938.db2.gz BSHOCDZQYMYGSI-OCCSQVGLSA-N 1 0 333.388 3.061 20 5 EGBDRO CC[NH+](CC)C[C@H]1CCN(c2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000276575167 456520018 /nfs/dbraw/zinc/52/00/18/456520018.db2.gz HRZROGATLZHDOE-CQSZACIVSA-N 1 0 328.416 3.311 20 5 EGBDRO C[NH+]1CCC([C@H]2CCN(c3nc4ccccc4cc3[N+](=O)[O-])C2)CC1 ZINC000276690359 456551664 /nfs/dbraw/zinc/55/16/64/456551664.db2.gz WCLRZJYAOLFEOS-INIZCTEOSA-N 1 0 340.427 3.311 20 5 EGBDRO CC(C)n1nccc1[C@@H]1OCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000343389674 456583206 /nfs/dbraw/zinc/58/32/06/456583206.db2.gz LKUWDIOVROSHQX-NVXWUHKLSA-N 1 0 348.378 3.131 20 5 EGBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000353288683 456614408 /nfs/dbraw/zinc/61/44/08/456614408.db2.gz BOVQZPBHWPJEAL-ZDUSSCGKSA-N 1 0 336.436 3.454 20 5 EGBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2c2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000276934506 456624825 /nfs/dbraw/zinc/62/48/25/456624825.db2.gz AFNZIXXYTQYRHD-RHSMWYFYSA-N 1 0 326.400 3.064 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000277012669 456652757 /nfs/dbraw/zinc/65/27/57/456652757.db2.gz BJCJPVWNOIQZOR-CQSZACIVSA-N 1 0 334.420 3.160 20 5 EGBDRO C[NH+](C)C1(CNC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CCC1 ZINC000353382217 456662038 /nfs/dbraw/zinc/66/20/38/456662038.db2.gz PNOYYWASDDKWRR-UHFFFAOYSA-N 1 0 333.432 3.106 20 5 EGBDRO C[C@H](NC(=O)CC[C@@H]([NH3+])c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000324761489 456673058 /nfs/dbraw/zinc/67/30/58/456673058.db2.gz UKPBCSQDGHGTPB-SUMWQHHRSA-N 1 0 327.384 3.252 20 5 EGBDRO COC(=O)[C@H]1CC[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000291565065 456681030 /nfs/dbraw/zinc/68/10/30/456681030.db2.gz NKEXJNGUVBKGQF-GZMMTYOYSA-N 1 0 347.198 3.333 20 5 EGBDRO CCOc1cc(C[NH2+][C@H]2CCC[C@H]2OC(F)F)ccc1[N+](=O)[O-] ZINC000348458027 456695827 /nfs/dbraw/zinc/69/58/27/456695827.db2.gz QAPAHHAUWZRDOW-WCQYABFASA-N 1 0 330.331 3.243 20 5 EGBDRO C[NH+](C)[C@@H]1CCCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000277175819 456709908 /nfs/dbraw/zinc/70/99/08/456709908.db2.gz KXVKTUHCBPAOSP-MRXNPFEDSA-N 1 0 344.415 3.166 20 5 EGBDRO CCCCCC(=O)NC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000299583584 456735004 /nfs/dbraw/zinc/73/50/04/456735004.db2.gz RSPNHBUCVHDSQE-UHFFFAOYSA-N 1 0 333.432 3.256 20 5 EGBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1ccc2c(c1)CC(=O)N2C ZINC000283302146 456754278 /nfs/dbraw/zinc/75/42/78/456754278.db2.gz YMWRCEQLXOVFAX-NSHDSACASA-N 1 0 343.358 3.104 20 5 EGBDRO COC(=O)C1CCC([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000277325259 456778918 /nfs/dbraw/zinc/77/89/18/456778918.db2.gz WYETXFZLIZIEMM-UHFFFAOYSA-N 1 0 340.807 3.112 20 5 EGBDRO CCCC[N@@H+]1CCCC[C@@H]1CNc1ccc(C(=O)NC)cc1[N+](=O)[O-] ZINC000338396286 456794313 /nfs/dbraw/zinc/79/43/13/456794313.db2.gz DBZOKULNRQDXFX-OAHLLOKOSA-N 1 0 348.447 3.021 20 5 EGBDRO COc1ccc(C[N@H+](C)CCN(C)c2ccccc2)cc1[N+](=O)[O-] ZINC000353633639 456817330 /nfs/dbraw/zinc/81/73/30/456817330.db2.gz STEOMPYGKYGXOY-UHFFFAOYSA-N 1 0 329.400 3.172 20 5 EGBDRO CC[NH+]1C[C@@H](C)N(C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000344450195 456828639 /nfs/dbraw/zinc/82/86/39/456828639.db2.gz LRIZXPLSLPZAFT-ZIAGYGMSSA-N 1 0 333.432 3.273 20 5 EGBDRO Cc1ccnc(NC[C@H](C)[N@@H+]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000301245828 456832156 /nfs/dbraw/zinc/83/21/56/456832156.db2.gz ANYQHGDXCJLEBZ-AWEZNQCLSA-N 1 0 326.400 3.157 20 5 EGBDRO CCC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CCc2ccccc21 ZINC000341609081 456880270 /nfs/dbraw/zinc/88/02/70/456880270.db2.gz FBCKMNKLYRGFME-SFHVURJKSA-N 1 0 341.411 3.156 20 5 EGBDRO C[C@H]1C[C@H](C)C[NH+](CCCNc2nc3sccn3c2[N+](=O)[O-])C1 ZINC000339030589 456907226 /nfs/dbraw/zinc/90/72/26/456907226.db2.gz ZMUVOVKKSGEGGX-RYUDHWBXSA-N 1 0 337.449 3.084 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](CCCO)Cc1ccccn1 ZINC000349293552 456934563 /nfs/dbraw/zinc/93/45/63/456934563.db2.gz FBYTYSUJAMYPJB-FOWTUZBSSA-N 1 0 341.411 3.278 20 5 EGBDRO C[C@H]([NH2+]Cc1cc([O-])ccc1[N+](=O)[O-])[C@H]1OCCc2sccc21 ZINC000339215335 456995525 /nfs/dbraw/zinc/99/55/25/456995525.db2.gz UYZKPVHMBVWESD-MGPLVRAMSA-N 1 0 334.397 3.154 20 5 EGBDRO CC[C@@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1ccccc1 ZINC000339259496 457023559 /nfs/dbraw/zinc/02/35/59/457023559.db2.gz PHMAQHWZOKQXQZ-SFHVURJKSA-N 1 0 341.411 3.122 20 5 EGBDRO CC[C@@H]1CN(CCNc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CCO1 ZINC000362681361 457041041 /nfs/dbraw/zinc/04/10/41/457041041.db2.gz OMLJPEAHAUKNGH-GFCCVEGCSA-N 1 0 347.337 3.136 20 5 EGBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@@H](c2ccccc2)c2cncnc2)c1 ZINC000349781940 457049594 /nfs/dbraw/zinc/04/95/94/457049594.db2.gz YLTWJMGSMCJRPK-IBGZPJMESA-N 1 0 334.379 3.307 20 5 EGBDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000330914315 457104539 /nfs/dbraw/zinc/10/45/39/457104539.db2.gz YCJQPCARFPSDIB-GASCZTMLSA-N 1 0 347.459 3.010 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1ccc(CN(C2CC2)[C@@H]2CC[NH2+]C2)o1 ZINC000347110692 457234594 /nfs/dbraw/zinc/23/45/94/457234594.db2.gz NSDCELBDMHPUBV-CQSZACIVSA-N 1 0 327.384 3.181 20 5 EGBDRO CC(C)CCC[C@@H](C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000342367220 457259678 /nfs/dbraw/zinc/25/96/78/457259678.db2.gz YAAMMJUYWIFAKX-CQSZACIVSA-N 1 0 342.461 3.173 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2ccc(CN3CC[C@H]4CC[C@@H](C3)[NH2+]4)o2)c1 ZINC000347163374 457264028 /nfs/dbraw/zinc/26/40/28/457264028.db2.gz ISYALRWPKGECMG-CABCVRRESA-N 1 0 327.384 3.181 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]1CCCn2cc(C)nc21 ZINC000360141141 457272047 /nfs/dbraw/zinc/27/20/47/457272047.db2.gz OFKZVRGCBCEYKS-CQSZACIVSA-N 1 0 344.415 3.166 20 5 EGBDRO C[C@@H]1CCCC[C@@H]1C[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000354641859 457292201 /nfs/dbraw/zinc/29/22/01/457292201.db2.gz GOPFMKCSDBGZRM-HZPDHXFCSA-N 1 0 345.443 3.179 20 5 EGBDRO C[N@H+](CCCOc1ccc2c(c1)OCO2)Cc1ccccc1[N+](=O)[O-] ZINC000342490159 457332238 /nfs/dbraw/zinc/33/22/38/457332238.db2.gz NRBMKGNAKGXUJY-UHFFFAOYSA-N 1 0 344.367 3.224 20 5 EGBDRO COc1ccccc1[C@H]1CC[C@H](C)C[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000352256033 457353184 /nfs/dbraw/zinc/35/31/84/457353184.db2.gz FVDPZIQRIKKKKR-GOEBONIOSA-N 1 0 344.415 3.273 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000347340889 457363055 /nfs/dbraw/zinc/36/30/55/457363055.db2.gz VRRUBZPYFUSHTL-UHFFFAOYSA-N 1 0 333.432 3.097 20 5 EGBDRO CC(C)c1ccc(C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)cc1[N+](=O)[O-] ZINC000347363238 457376300 /nfs/dbraw/zinc/37/63/00/457376300.db2.gz RPWCTGDPFPTVOT-INIZCTEOSA-N 1 0 345.443 3.465 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(O[C@H]2CCOC2)CC1 ZINC000347367879 457378258 /nfs/dbraw/zinc/37/82/58/457378258.db2.gz NDDGUVKKIQWJOK-HVEPWOEZSA-N 1 0 346.427 3.268 20 5 EGBDRO CC(=O)N[C@@H](C)C1CC[NH+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000347370186 457380412 /nfs/dbraw/zinc/38/04/12/457380412.db2.gz ITWICZSXYMTOKK-SZGZABIGSA-N 1 0 345.443 3.235 20 5 EGBDRO CNc1c(C(=O)Nc2cc(C[NH+](C)C)ccc2C)cccc1[N+](=O)[O-] ZINC000360955047 457464329 /nfs/dbraw/zinc/46/43/29/457464329.db2.gz PUSOBPQUQSUIHP-UHFFFAOYSA-N 1 0 342.399 3.259 20 5 EGBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000360961387 457468697 /nfs/dbraw/zinc/46/86/97/457468697.db2.gz QCJGQJJNBPWRDJ-CJNGLKHVSA-N 1 0 343.431 3.367 20 5 EGBDRO C[NH+](C)Cc1ccnc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c1 ZINC000361076208 457567775 /nfs/dbraw/zinc/56/77/75/457567775.db2.gz NELOTAUFRRBOLE-UHFFFAOYSA-N 1 0 340.339 3.050 20 5 EGBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000361153855 457616983 /nfs/dbraw/zinc/61/69/83/457616983.db2.gz KRQZTJUKJJMOGO-ZIAGYGMSSA-N 1 0 329.400 3.379 20 5 EGBDRO CNc1c(C(=O)NCCCCC[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000361198202 457642475 /nfs/dbraw/zinc/64/24/75/457642475.db2.gz CKKUVHNROQFHOK-UHFFFAOYSA-N 1 0 348.447 3.023 20 5 EGBDRO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1cccc(N2CCOCC2)c1 ZINC000358019171 457741309 /nfs/dbraw/zinc/74/13/09/457741309.db2.gz SACRSICNOGCWND-OAHLLOKOSA-N 1 0 341.411 3.282 20 5 EGBDRO CC[N@H+](CC1CCC1)[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000361485509 457747506 /nfs/dbraw/zinc/74/75/06/457747506.db2.gz ODMAXMFSXWVPRG-GFCCVEGCSA-N 1 0 335.404 3.052 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1CNCc1cnc(C(F)(F)F)s1 ZINC000443958546 457830157 /nfs/dbraw/zinc/83/01/57/457830157.db2.gz LNBWVVRTGXJLAR-UHFFFAOYSA-N 1 0 347.318 3.369 20 5 EGBDRO CC[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCCC[C@@H]1C ZINC000444677415 457937692 /nfs/dbraw/zinc/93/76/92/457937692.db2.gz PPQBHLZJZDUBQN-ZVZYQTTQSA-N 1 0 336.432 3.235 20 5 EGBDRO CC[C@H]1CCCC[C@H]1[N@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000444677389 457937788 /nfs/dbraw/zinc/93/77/88/457937788.db2.gz PLLIWJFDVCPHHE-WMLDXEAASA-N 1 0 345.443 3.385 20 5 EGBDRO CC[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCCC[C@@H]1C ZINC000444677413 457938206 /nfs/dbraw/zinc/93/82/06/457938206.db2.gz PPQBHLZJZDUBQN-QILLFSRXSA-N 1 0 336.432 3.235 20 5 EGBDRO COCC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1CCC[C@H]1C ZINC000444696189 457943236 /nfs/dbraw/zinc/94/32/36/457943236.db2.gz VDOCKFBYLIFLPW-WBMJQRKESA-N 1 0 332.404 3.108 20 5 EGBDRO O=C(CC[N@@H+]1CCSC2(CCC2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411864749 457996300 /nfs/dbraw/zinc/99/63/00/457996300.db2.gz FBQBQTOLEGWZBO-UHFFFAOYSA-N 1 0 349.456 3.285 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCC[N@@H+]1CCCC(C)(C)C1 ZINC000444921588 457997011 /nfs/dbraw/zinc/99/70/11/457997011.db2.gz NUQWVZZIQZSFCI-UHFFFAOYSA-N 1 0 348.447 3.455 20 5 EGBDRO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)[C@H]1CCCC[C@H]1c1ccccc1 ZINC000412008111 458043257 /nfs/dbraw/zinc/04/32/57/458043257.db2.gz KFMVMTDPDPCNIP-HOTGVXAUSA-N 1 0 328.416 3.487 20 5 EGBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000427864401 458045696 /nfs/dbraw/zinc/04/56/96/458045696.db2.gz KUGJEDQATDJZAS-GFCCVEGCSA-N 1 0 341.839 3.027 20 5 EGBDRO COc1ccc(-c2ccc(CN(C)C3CC[NH2+]CC3)o2)c([N+](=O)[O-])c1 ZINC000435382460 458130985 /nfs/dbraw/zinc/13/09/85/458130985.db2.gz DDJWPKQNAXSSLB-UHFFFAOYSA-N 1 0 345.399 3.047 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3CCC[C@@H]3CCO)cs2)c1 ZINC000428472795 458154662 /nfs/dbraw/zinc/15/46/62/458154662.db2.gz JTQCMLGFXRPMEM-CQSZACIVSA-N 1 0 333.413 3.065 20 5 EGBDRO O=[N+]([O-])c1ccc(NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)nc1 ZINC000428675603 458189805 /nfs/dbraw/zinc/18/98/05/458189805.db2.gz WICAJXLSEVUQNC-INIZCTEOSA-N 1 0 344.440 3.019 20 5 EGBDRO CC[NH+](CC)[C@H](CNc1ncccc1[N+](=O)[O-])c1cccc(OC)c1 ZINC000358766667 458203946 /nfs/dbraw/zinc/20/39/46/458203946.db2.gz AZZKIYZNJZIELX-QGZVFWFLSA-N 1 0 344.415 3.493 20 5 EGBDRO CCOCCC[N@@H+]1CC[C@H](Nc2cc(C)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000447080124 458263435 /nfs/dbraw/zinc/26/34/35/458263435.db2.gz YZKKAKORUMTFNJ-HOTGVXAUSA-N 1 0 335.448 3.452 20 5 EGBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1C[C@H](c2ccccc2)[C@H]2CCCC[C@H]21 ZINC000362584116 458284354 /nfs/dbraw/zinc/28/43/54/458284354.db2.gz QUVWYOSPOSMFJI-BRWVUGGUSA-N 1 0 340.427 3.487 20 5 EGBDRO Cc1ccccc1CC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447513477 458303239 /nfs/dbraw/zinc/30/32/39/458303239.db2.gz WPOSJXPACLXUPH-IRXDYDNUSA-N 1 0 328.416 3.416 20 5 EGBDRO C[NH+](C)CCN(Cc1ccsc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000459288085 458316892 /nfs/dbraw/zinc/31/68/92/458316892.db2.gz FXYAMCKQCCFTDL-UHFFFAOYSA-N 1 0 348.428 3.252 20 5 EGBDRO C[C@@H]1CC[C@H]([N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000429580517 458349312 /nfs/dbraw/zinc/34/93/12/458349312.db2.gz PNBYFHYUQKGOLZ-MNOVXSKESA-N 1 0 325.796 3.307 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000459522244 458398575 /nfs/dbraw/zinc/39/85/75/458398575.db2.gz HUWLZQXCEDURIH-AWEZNQCLSA-N 1 0 334.420 3.065 20 5 EGBDRO Cc1ccc([C@H](C)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000423533229 458453415 /nfs/dbraw/zinc/45/34/15/458453415.db2.gz SQFOMKRDLMXGCX-JCGIZDLHSA-N 1 0 325.412 3.309 20 5 EGBDRO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000430817543 458495206 /nfs/dbraw/zinc/49/52/06/458495206.db2.gz UEIGLOSMLOFRKW-QWHCGFSZSA-N 1 0 339.461 3.287 20 5 EGBDRO CCCC[C@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000460357635 458513619 /nfs/dbraw/zinc/51/36/19/458513619.db2.gz UTGKZRSFEOYMDH-ZFWWWQNUSA-N 1 0 349.431 3.490 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000468484324 458520461 /nfs/dbraw/zinc/52/04/61/458520461.db2.gz RRUWSTWPLZUCFL-HNNXBMFYSA-N 1 0 347.459 3.370 20 5 EGBDRO COc1ccc(OCC[N@H+](C)Cc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000468497287 458522184 /nfs/dbraw/zinc/52/21/84/458522184.db2.gz WKVJQXSCGINCNF-UHFFFAOYSA-N 1 0 334.347 3.253 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(N2CC[NH+](CC3CCCCC3)CC2)c1 ZINC000462378154 458615841 /nfs/dbraw/zinc/61/58/41/458615841.db2.gz DKLLTMOJICJOFH-UHFFFAOYSA-N 1 0 333.432 3.306 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(O)(C(F)F)CC1 ZINC000470208202 458623570 /nfs/dbraw/zinc/62/35/70/458623570.db2.gz YAWWRKPKVYQOEF-FMIVXFBMSA-N 1 0 326.343 3.090 20 5 EGBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494491057 458688122 /nfs/dbraw/zinc/68/81/22/458688122.db2.gz ZLPNKNZEFQTRQW-YGRLFVJLSA-N 1 0 331.338 3.043 20 5 EGBDRO C[C@H]1C[N@H+](C)CC[C@@H]1NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494491051 458688295 /nfs/dbraw/zinc/68/82/95/458688295.db2.gz ZLPNKNZEFQTRQW-HZMBPMFUSA-N 1 0 331.338 3.043 20 5 EGBDRO C[C@@H]1C[NH+](CCCNc2c(Cl)cccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000432324408 458715083 /nfs/dbraw/zinc/71/50/83/458715083.db2.gz IARZUZIHVPTMTD-VXGBXAGGSA-N 1 0 327.812 3.159 20 5 EGBDRO C[N@@H+]1CCC[C@H]2CN(c3ccnc4c3cccc4[N+](=O)[O-])CC[C@H]21 ZINC000432339631 458719964 /nfs/dbraw/zinc/71/99/64/458719964.db2.gz UGYMSAHSKIMJPZ-DZGCQCFKSA-N 1 0 326.400 3.064 20 5 EGBDRO CCc1ccc(C(=O)NC[C@@H](C)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000471782211 458729807 /nfs/dbraw/zinc/72/98/07/458729807.db2.gz RROKVLGDRZMGRO-CQSZACIVSA-N 1 0 333.432 3.009 20 5 EGBDRO Cc1sc(C(=O)NC[C@H]2CCCC[N@H+]2CC(C)C)cc1[N+](=O)[O-] ZINC000439692489 458742439 /nfs/dbraw/zinc/74/24/39/458742439.db2.gz ISOLFDVSLLXHSN-CYBMUJFWSA-N 1 0 339.461 3.205 20 5 EGBDRO Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)cc1[N+](=O)[O-] ZINC000440262404 458798694 /nfs/dbraw/zinc/79/86/94/458798694.db2.gz WYEYEHPZPAZFKH-PBHICJAKSA-N 1 0 345.443 3.487 20 5 EGBDRO C[C@@H]1CCCC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000548163514 458848126 /nfs/dbraw/zinc/84/81/26/458848126.db2.gz KTPVUIRDTTVAMP-CYBMUJFWSA-N 1 0 333.388 3.015 20 5 EGBDRO Cc1cc(NC[C@@]2(C)CCO[C@H]2C2CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000466640533 458910371 /nfs/dbraw/zinc/91/03/71/458910371.db2.gz QEIXRWGMWALERP-RBUKOAKNSA-N 1 0 341.411 3.490 20 5 EGBDRO CC1(C)C[NH+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC(C)(C)C1 ZINC000466934616 458939215 /nfs/dbraw/zinc/93/92/15/458939215.db2.gz FEGWLPSXCQTVFQ-AWEZNQCLSA-N 1 0 336.432 3.093 20 5 EGBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)C1 ZINC000475582652 458953067 /nfs/dbraw/zinc/95/30/67/458953067.db2.gz LHMFOEUHEZJZQJ-OAHLLOKOSA-N 1 0 348.447 3.407 20 5 EGBDRO CC1(C)C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]2CCC[C@@H]21 ZINC000577045517 458969177 /nfs/dbraw/zinc/96/91/77/458969177.db2.gz UOKSOQBKJPKQFG-ZFWWWQNUSA-N 1 0 331.416 3.434 20 5 EGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCc1cn2c(n1)SCC2 ZINC000468032484 458998435 /nfs/dbraw/zinc/99/84/35/458998435.db2.gz XUONAIHNHUDRQA-ZDUSSCGKSA-N 1 0 346.456 3.050 20 5 EGBDRO COc1ccc2c(c1)OC[C@@H]([NH2+][C@H]1CCc3c1cccc3[N+](=O)[O-])C2 ZINC000594500071 459063265 /nfs/dbraw/zinc/06/32/65/459063265.db2.gz HBKDLFRXNNIGGY-GUYCJALGSA-N 1 0 340.379 3.184 20 5 EGBDRO O=C1[C@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CCN1C1CCCCC1 ZINC000594500394 459063744 /nfs/dbraw/zinc/06/37/44/459063744.db2.gz SIVXWHSDIATYSQ-IAGOWNOFSA-N 1 0 343.427 3.105 20 5 EGBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000520536343 459068935 /nfs/dbraw/zinc/06/89/35/459068935.db2.gz BZRWHPBXVIIWNV-CYBMUJFWSA-N 1 0 335.448 3.352 20 5 EGBDRO CC[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccncc1 ZINC000577741544 459086984 /nfs/dbraw/zinc/08/69/84/459086984.db2.gz PEZIQUKEXPFKMN-AWEZNQCLSA-N 1 0 328.372 3.059 20 5 EGBDRO Cc1nn(C)c2ncc(C[NH2+][C@H](C)c3ccc(C)c([N+](=O)[O-])c3)cc12 ZINC000557833318 459112633 /nfs/dbraw/zinc/11/26/33/459112633.db2.gz LOYFMPYSLUMQEF-GFCCVEGCSA-N 1 0 339.399 3.344 20 5 EGBDRO CC1(C)C[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)[C@H]2CCC[C@@H]21 ZINC000590380149 459122710 /nfs/dbraw/zinc/12/27/10/459122710.db2.gz YRFUPFIHBDVJTP-KBPBESRZSA-N 1 0 332.400 3.377 20 5 EGBDRO C[C@@H](C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000567556038 459123369 /nfs/dbraw/zinc/12/33/69/459123369.db2.gz PSPHUMAEGIYPPB-CRAIPNDOSA-N 1 0 345.443 3.175 20 5 EGBDRO Cn1ncc(C2CC2)c1C[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000594929979 459180112 /nfs/dbraw/zinc/18/01/12/459180112.db2.gz QXUMTEPSROPAKL-UHFFFAOYSA-N 1 0 328.416 3.318 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000567907533 459188216 /nfs/dbraw/zinc/18/82/16/459188216.db2.gz KUAYDNZPAGAYGM-QMDZLVRISA-N 1 0 329.444 3.416 20 5 EGBDRO CCCN1CC[C@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000594992219 459207048 /nfs/dbraw/zinc/20/70/48/459207048.db2.gz QRZIVDCMXNMEGW-AWEZNQCLSA-N 1 0 329.400 3.429 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1CN1CCc2cccc(OC)c2C1 ZINC000590759897 459208147 /nfs/dbraw/zinc/20/81/47/459208147.db2.gz GUPQXDDOKXJYLY-UHFFFAOYSA-N 1 0 328.368 3.170 20 5 EGBDRO COc1ccccc1OCC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595003338 459211035 /nfs/dbraw/zinc/21/10/35/459211035.db2.gz HKKRONDJDGBYCI-CYBMUJFWSA-N 1 0 346.383 3.342 20 5 EGBDRO CC(C)(C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)[C@@]1(O)CCCOC1 ZINC000595096183 459244495 /nfs/dbraw/zinc/24/44/95/459244495.db2.gz XIQQXWSOGBRMMY-IEBWSBKVSA-N 1 0 348.443 3.130 20 5 EGBDRO Cc1c([C@H](C)[NH2+]C[C@@H]2CC(=O)N(C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000595104384 459247077 /nfs/dbraw/zinc/24/70/77/459247077.db2.gz PRCVWRMIFJZIMG-KBPBESRZSA-N 1 0 333.432 3.201 20 5 EGBDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000523343550 459293528 /nfs/dbraw/zinc/29/35/28/459293528.db2.gz JINDIFLGEFJFRE-MRXNPFEDSA-N 1 0 334.420 3.371 20 5 EGBDRO C[NH+](C)CC1CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1 ZINC000534145628 459293760 /nfs/dbraw/zinc/29/37/60/459293760.db2.gz COFUTROLAYESEI-UHFFFAOYSA-N 1 0 340.427 3.435 20 5 EGBDRO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C3CCC3)C2)cccc1[N+](=O)[O-] ZINC000591063043 459302796 /nfs/dbraw/zinc/30/27/96/459302796.db2.gz HJELWNOGMOMLHV-ZFWWWQNUSA-N 1 0 331.416 3.352 20 5 EGBDRO C[C@@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC[C@@H]1C ZINC000523496268 459309193 /nfs/dbraw/zinc/30/91/93/459309193.db2.gz NURHNSWQTXOALE-GJZGRUSLSA-N 1 0 347.459 3.252 20 5 EGBDRO CCN1CCCC[C@H]1C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000482899779 459329649 /nfs/dbraw/zinc/32/96/49/459329649.db2.gz KPYUGPHPYXQEIO-ROUUACIJSA-N 1 0 331.460 3.380 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000591298968 459349660 /nfs/dbraw/zinc/34/96/60/459349660.db2.gz QMEJSBXHFZAUIA-MRXNPFEDSA-N 1 0 346.431 3.145 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@](C)(CO)Cc1ccccc1 ZINC000483634617 459377950 /nfs/dbraw/zinc/37/79/50/459377950.db2.gz IGYLVESIPVPLJG-LJQANCHMSA-N 1 0 328.412 3.234 20 5 EGBDRO Cc1ccc([C@H](C)NC(=O)C[C@H]([NH3+])Cc2ccccc2)cc1[N+](=O)[O-] ZINC000569109858 459396835 /nfs/dbraw/zinc/39/68/35/459396835.db2.gz RWUKSDBSBMTYTO-WMLDXEAASA-N 1 0 341.411 3.041 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](NC[C@@H]2CCCC[NH2+]2)c2ccccc2)c1 ZINC000591577899 459405602 /nfs/dbraw/zinc/40/56/02/459405602.db2.gz LWPCTHXTUXEVHZ-PKOBYXMFSA-N 1 0 325.412 3.416 20 5 EGBDRO CC(C)Cn1cc(C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)cn1 ZINC000569266148 459423495 /nfs/dbraw/zinc/42/34/95/459423495.db2.gz CTLFJPOTXPLKMP-UHFFFAOYSA-N 1 0 341.415 3.261 20 5 EGBDRO C[C@]1(c2ccccc2)C[C@@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000591744343 459428499 /nfs/dbraw/zinc/42/84/99/459428499.db2.gz VTGNWSCAKSXZLV-PKOBYXMFSA-N 1 0 339.395 3.243 20 5 EGBDRO CC(C)(C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1=CCCC1 ZINC000591771169 459433269 /nfs/dbraw/zinc/43/32/69/459433269.db2.gz WIHKGEXZONDGMV-MRXNPFEDSA-N 1 0 334.416 3.061 20 5 EGBDRO CC[C@H](C)[C@H]1CCCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000541347851 459447676 /nfs/dbraw/zinc/44/76/76/459447676.db2.gz TWRZJTYYWQACEN-HRCADAONSA-N 1 0 336.432 3.235 20 5 EGBDRO CC[C@H](C)[C@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000541347850 459448161 /nfs/dbraw/zinc/44/81/61/459448161.db2.gz TWRZJTYYWQACEN-ARFHVFGLSA-N 1 0 336.432 3.235 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+]C1(CC(C)C)CC1 ZINC000595831008 459456970 /nfs/dbraw/zinc/45/69/70/459456970.db2.gz JWXILQATLWOLQB-GFCCVEGCSA-N 1 0 335.404 3.099 20 5 EGBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@@H](C2CCCCC2)C1 ZINC000595881145 459471898 /nfs/dbraw/zinc/47/18/98/459471898.db2.gz QSQGJCYXQLLFPR-MRXNPFEDSA-N 1 0 333.432 3.049 20 5 EGBDRO O=C(CC[N@@H+]1CCC[C@H]1c1ccccn1)Nc1ccccc1[N+](=O)[O-] ZINC000569625386 459484208 /nfs/dbraw/zinc/48/42/08/459484208.db2.gz VSWUMQDRZALWLV-INIZCTEOSA-N 1 0 340.383 3.156 20 5 EGBDRO CN(c1ccc([N+](=O)[O-])c(NC(=O)C[N@H+](C)C2CCC2)c1)C1CCC1 ZINC000569671734 459490188 /nfs/dbraw/zinc/49/01/88/459490188.db2.gz YLAFUKUTGRRPTR-UHFFFAOYSA-N 1 0 346.431 3.006 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCCN3c4ccccc4C[C@@H]3C2)cc1 ZINC000562045211 459506447 /nfs/dbraw/zinc/50/64/47/459506447.db2.gz ACPFSPNUMKHRJL-LJQANCHMSA-N 1 0 337.423 3.274 20 5 EGBDRO O=[N+]([O-])c1cccc(Br)c1NC1CC[NH+](C2CC2)CC1 ZINC000596065398 459507332 /nfs/dbraw/zinc/50/73/32/459507332.db2.gz FWNJKIKZJPRRAG-UHFFFAOYSA-N 1 0 340.221 3.396 20 5 EGBDRO CC(C)[N@@H+]1CC[C@@H](CNCc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000583277790 459513560 /nfs/dbraw/zinc/51/35/60/459513560.db2.gz MGMNVMAVVOSFOC-LBPRGKRZSA-N 1 0 343.374 3.016 20 5 EGBDRO C[C@H]1OCC[C@@]12CN(Cc1c(Cl)cccc1[N+](=O)[O-])C[C@@H](C)O2 ZINC000569915718 459529010 /nfs/dbraw/zinc/52/90/10/459529010.db2.gz QHARYUZTWZLHJB-XHBSWPGZSA-N 1 0 340.807 3.017 20 5 EGBDRO C[C@H](C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000562300301 459533734 /nfs/dbraw/zinc/53/37/34/459533734.db2.gz QAWBFYWRLKKSAP-BBRMVZONSA-N 1 0 335.448 3.181 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+]C1(c2ccccc2C)CC1 ZINC000592139910 459534766 /nfs/dbraw/zinc/53/47/66/459534766.db2.gz POYDLCXSJRZSFR-UHFFFAOYSA-N 1 0 339.395 3.429 20 5 EGBDRO COCC[N@H+](C)CCCC1CCN(c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000497757202 459555365 /nfs/dbraw/zinc/55/53/65/459555365.db2.gz MXGOZTZNHBSDON-UHFFFAOYSA-N 1 0 349.475 3.478 20 5 EGBDRO CC[C@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC[C@H]1[NH3+] ZINC000592332372 459575820 /nfs/dbraw/zinc/57/58/20/459575820.db2.gz XTASAMWYFFFHHY-GXFFZTMASA-N 1 0 333.413 3.009 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000527089569 459588737 /nfs/dbraw/zinc/58/87/37/459588737.db2.gz SXXFANSISXMFKY-UHFFFAOYSA-N 1 0 348.447 3.487 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN(C1CC1)C1CC[NH2+]CC1 ZINC000592471142 459608756 /nfs/dbraw/zinc/60/87/56/459608756.db2.gz AFSGVZRUOONPPA-UHFFFAOYSA-N 1 0 333.432 3.098 20 5 EGBDRO Cc1cccc(C[C@@H](CO)[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000527214750 459610123 /nfs/dbraw/zinc/61/01/23/459610123.db2.gz XVFBWEMVDYQWNB-WBVHZDCISA-N 1 0 328.412 3.466 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000573017901 459611261 /nfs/dbraw/zinc/61/12/61/459611261.db2.gz UFQDRGRKGIOUQN-OAHLLOKOSA-N 1 0 349.456 3.059 20 5 EGBDRO CC1(C)CN(CCOc2cccc([N+](=O)[O-])c2)[C@H]1c1ccncc1 ZINC000596594833 459689718 /nfs/dbraw/zinc/68/97/18/459689718.db2.gz WKZDLEFGYSZYIT-KRWDZBQOSA-N 1 0 327.384 3.452 20 5 EGBDRO Cc1c(NC(=O)CC[N@H+]2CCC[C@@H](OC(C)C)C2)cccc1[N+](=O)[O-] ZINC000593055893 459758674 /nfs/dbraw/zinc/75/86/74/459758674.db2.gz SXOQSNNVYZTLBU-OAHLLOKOSA-N 1 0 349.431 3.121 20 5 EGBDRO CC[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@H](CC)CO1 ZINC000593058747 459759286 /nfs/dbraw/zinc/75/92/86/459759286.db2.gz NQVGHZFUKVMISY-GDBMZVCRSA-N 1 0 349.431 3.121 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N(C)CC[NH+]1CCCCC1 ZINC000593189627 459801973 /nfs/dbraw/zinc/80/19/73/459801973.db2.gz WBDJSKNKLOCYOX-UHFFFAOYSA-N 1 0 334.420 3.161 20 5 EGBDRO Cc1ccc([C@H](C)NC(=O)[C@@H]2CC[N@@H+]2C2CCCC2)cc1[N+](=O)[O-] ZINC000602117169 459846991 /nfs/dbraw/zinc/84/69/91/459846991.db2.gz OZVKFJUMYDYYDN-BBRMVZONSA-N 1 0 331.416 3.097 20 5 EGBDRO CCO[C@H]1C[C@H]1[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000618198593 459930478 /nfs/dbraw/zinc/93/04/78/459930478.db2.gz JYTDMVGADFISBB-PBHICJAKSA-N 1 0 332.356 3.130 20 5 EGBDRO C[N@@H+](Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C[C@@H]1CCCOC1 ZINC000602464126 459950319 /nfs/dbraw/zinc/95/03/19/459950319.db2.gz JYAUYIITEQLUOP-NSHDSACASA-N 1 0 332.322 3.472 20 5 EGBDRO C[C@@H](O)C[C@@H]1CCC[N@@H+]1Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602474451 459954994 /nfs/dbraw/zinc/95/49/94/459954994.db2.gz OYFBHFZIIMVTIF-MFKMUULPSA-N 1 0 332.322 3.349 20 5 EGBDRO Cc1ccccc1CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602502363 459971193 /nfs/dbraw/zinc/97/11/93/459971193.db2.gz IFEODIAMQPQODN-UHFFFAOYSA-N 1 0 340.427 3.099 20 5 EGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1CNC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000602511309 459976156 /nfs/dbraw/zinc/97/61/56/459976156.db2.gz PTBDNSWQIOLAJA-LLVKDONJSA-N 1 0 343.349 3.188 20 5 EGBDRO CC[C@H](C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000575495197 459978114 /nfs/dbraw/zinc/97/81/14/459978114.db2.gz HEWSZMQXEPDYAJ-NVXWUHKLSA-N 1 0 344.411 3.118 20 5 EGBDRO C[C@@H]1CCC[C@@H](C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000602521495 459982069 /nfs/dbraw/zinc/98/20/69/459982069.db2.gz CCSYKIPZFGVXHR-HUUCEWRRSA-N 1 0 332.448 3.375 20 5 EGBDRO CCC[N@@H+]1CC[C@H](CNCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602527944 459983291 /nfs/dbraw/zinc/98/32/91/459983291.db2.gz NMAXWDLXKRLTPD-GFCCVEGCSA-N 1 0 345.365 3.435 20 5 EGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]C[C@H]1CCC[C@H](O)C1 ZINC000602561150 459997398 /nfs/dbraw/zinc/99/73/98/459997398.db2.gz WJDZEZVIEVVSHJ-GWCFXTLKSA-N 1 0 332.322 3.254 20 5 EGBDRO O=[N+]([O-])c1sc(C[NH2+]C[C@@H]2CCCS2)cc1Br ZINC000602567020 460001708 /nfs/dbraw/zinc/00/17/08/460001708.db2.gz GTLZIVDSBAQHJQ-ZETCQYMHSA-N 1 0 337.264 3.404 20 5 EGBDRO Cc1cc(C)[nH+]c(NC2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1 ZINC000602573989 460004059 /nfs/dbraw/zinc/00/40/59/460004059.db2.gz CYDBLSZJCIOMNN-UHFFFAOYSA-N 1 0 327.388 3.083 20 5 EGBDRO [NH3+][C@@]12CCC[C@@H]1CN(Cc1ccc(-c3ccc([N+](=O)[O-])cc3)o1)C2 ZINC000598719964 460005198 /nfs/dbraw/zinc/00/51/98/460005198.db2.gz OUPFVWVMXLOAOO-RDTXWAMCSA-N 1 0 327.384 3.168 20 5 EGBDRO C[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)C[C@H](C)O1 ZINC000602579967 460007334 /nfs/dbraw/zinc/00/73/34/460007334.db2.gz VMCGFWJZFZVXIL-AYMMMOKOSA-N 1 0 349.250 3.464 20 5 EGBDRO C[C@@H]1C[C@H]([NH3+])CCN1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000593921401 460016765 /nfs/dbraw/zinc/01/67/65/460016765.db2.gz XOVLDACFAHIQBW-DGCLKSJQSA-N 1 0 332.429 3.030 20 5 EGBDRO C[C@H]1C[C@H]([NH3+])CCN1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000593921406 460017206 /nfs/dbraw/zinc/01/72/06/460017206.db2.gz XOVLDACFAHIQBW-WCQYABFASA-N 1 0 332.429 3.030 20 5 EGBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000609839725 460027439 /nfs/dbraw/zinc/02/74/39/460027439.db2.gz FTADSMNMWHTRPT-NSHDSACASA-N 1 0 340.811 3.244 20 5 EGBDRO C[C@@H]1C[C@@H](CC[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H](C)O1 ZINC000602652831 460045278 /nfs/dbraw/zinc/04/52/78/460045278.db2.gz LEMXMCHJOCFDFQ-CLLJXQQHSA-N 1 0 333.388 3.419 20 5 EGBDRO CCOC(=O)c1ccc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])[nH]1 ZINC000602672526 460057931 /nfs/dbraw/zinc/05/79/31/460057931.db2.gz MFISTUXQBJMGIC-UHFFFAOYSA-N 1 0 331.372 3.125 20 5 EGBDRO CCC[C@H](C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)OC ZINC000602675875 460060694 /nfs/dbraw/zinc/06/06/94/460060694.db2.gz WLSYJKIVZHAISK-MRVPVSSYSA-N 1 0 337.239 3.324 20 5 EGBDRO COc1cc(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)ccc1C ZINC000618567126 460063135 /nfs/dbraw/zinc/06/31/35/460063135.db2.gz VSEMGAKOGQINMM-CVEARBPZSA-N 1 0 344.415 3.382 20 5 EGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@H+]1CC[C@@H](CCCO)C1 ZINC000602687696 460067334 /nfs/dbraw/zinc/06/73/34/460067334.db2.gz YTPVOYNUHMQMHS-LLVKDONJSA-N 1 0 332.322 3.208 20 5 EGBDRO CN(CC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)CC(F)F ZINC000599023004 460129606 /nfs/dbraw/zinc/12/96/06/460129606.db2.gz PMOZSKIYZOFWHR-UHFFFAOYSA-N 1 0 339.342 3.141 20 5 EGBDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000610433330 460150348 /nfs/dbraw/zinc/15/03/48/460150348.db2.gz BFIXBPIBQYIFAL-FQEVSTJZSA-N 1 0 339.439 3.344 20 5 EGBDRO CCc1ccc([C@@H]2CC[N@H+](CCn3c(C)ncc3[N+](=O)[O-])C2)cc1 ZINC000602839433 460153985 /nfs/dbraw/zinc/15/39/85/460153985.db2.gz JBDAGRDBLNCLIS-QGZVFWFLSA-N 1 0 328.416 3.152 20 5 EGBDRO CC[N@@H+]1CC[C@H](N(C)Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@H]1C ZINC000610582667 460188451 /nfs/dbraw/zinc/18/84/51/460188451.db2.gz IZCCXGBPURSYLP-STQMWFEESA-N 1 0 332.404 3.041 20 5 EGBDRO CCO[C@H]1C[C@@H]([N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)C1(C)C ZINC000610582774 460188486 /nfs/dbraw/zinc/18/84/86/460188486.db2.gz ZEGISSOXCCXMNV-CABCVRRESA-N 1 0 333.388 3.371 20 5 EGBDRO CC(C)(C)[N@@H+]1CCCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000610581583 460188781 /nfs/dbraw/zinc/18/87/81/460188781.db2.gz XTHUYLLJZWLKRB-UHFFFAOYSA-N 1 0 332.404 3.042 20 5 EGBDRO CCc1ccc(C(=O)N2CC[NH+](C(C)(C)CC)CC2)cc1[N+](=O)[O-] ZINC000594388893 460202466 /nfs/dbraw/zinc/20/24/66/460202466.db2.gz CJOMLSIQGDFJDF-UHFFFAOYSA-N 1 0 333.432 3.104 20 5 EGBDRO CCC(C)(C)[NH+]1CCN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000594390592 460203277 /nfs/dbraw/zinc/20/32/77/460203277.db2.gz XVWLXRIJALLONF-UHFFFAOYSA-N 1 0 347.459 3.205 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)c1 ZINC000598217776 460208561 /nfs/dbraw/zinc/20/85/61/460208561.db2.gz BJMLKWRHZDDHDC-AWEZNQCLSA-N 1 0 331.416 3.040 20 5 EGBDRO Cc1cc(C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000598221916 460211614 /nfs/dbraw/zinc/21/16/14/460211614.db2.gz YNFVYUXOEVZOKN-HNNXBMFYSA-N 1 0 331.416 3.040 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCC(F)(F)CC1 ZINC000599552989 460273655 /nfs/dbraw/zinc/27/36/55/460273655.db2.gz PLHUSPDBKKKAKK-UHFFFAOYSA-N 1 0 341.358 3.353 20 5 EGBDRO CC[N@H+](C[C@H]1CCOC1)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000611204926 460307724 /nfs/dbraw/zinc/30/77/24/460307724.db2.gz AXXNXFBCELXFQL-QWHCGFSZSA-N 1 0 346.387 3.064 20 5 EGBDRO Cc1ccncc1[C@H](C)[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000611299715 460331968 /nfs/dbraw/zinc/33/19/68/460331968.db2.gz CKYCCIBUAKITTQ-KBPBESRZSA-N 1 0 342.399 3.366 20 5 EGBDRO Cc1ccncc1[C@@H](C)[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000611299717 460332010 /nfs/dbraw/zinc/33/20/10/460332010.db2.gz CKYCCIBUAKITTQ-UONOGXRCSA-N 1 0 342.399 3.366 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1ccc([S@@](C)=O)cc1 ZINC000611336464 460338390 /nfs/dbraw/zinc/33/83/90/460338390.db2.gz PMNRVSJVKMXSQY-JCQPUDPBSA-N 1 0 332.425 3.491 20 5 EGBDRO Cc1noc(C)c1[C@@H](C)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000611409147 460358327 /nfs/dbraw/zinc/35/83/27/460358327.db2.gz UJUDGGCIRWYWPZ-LLVKDONJSA-N 1 0 346.387 3.187 20 5 EGBDRO C[C@@H](C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1)C(C)(C)C ZINC000619843818 460453910 /nfs/dbraw/zinc/45/39/10/460453910.db2.gz NFNQSLDXXCWHJP-LBPRGKRZSA-N 1 0 339.461 3.096 20 5 EGBDRO Cc1ccncc1[C@@H](C)[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000611938404 460491858 /nfs/dbraw/zinc/49/18/58/460491858.db2.gz DZNBUYJOJSNHPJ-LLVKDONJSA-N 1 0 348.790 3.241 20 5 EGBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1CCC(C2CCCC2)CC1 ZINC000612085931 460533017 /nfs/dbraw/zinc/53/30/17/460533017.db2.gz VHMLGAOYIUNZCZ-KRWDZBQOSA-N 1 0 348.443 3.237 20 5 EGBDRO C[C@@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@@H](O)C(F)(F)F ZINC000601151156 460733409 /nfs/dbraw/zinc/73/34/09/460733409.db2.gz QKLTULZEVUMSDG-YMTOWFKASA-N 1 0 344.289 3.256 20 5 EGBDRO CCOc1cc(C[N@@H+]2CCc3ccc(O)cc3CC2)ccc1[N+](=O)[O-] ZINC000617212567 460776422 /nfs/dbraw/zinc/77/64/22/460776422.db2.gz IREZPVIIDAPNST-UHFFFAOYSA-N 1 0 342.395 3.300 20 5 EGBDRO CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000617547740 460900604 /nfs/dbraw/zinc/90/06/04/460900604.db2.gz VDXQEIGUQFATLW-LSDHHAIUSA-N 1 0 333.388 3.419 20 5 EGBDRO Cc1ncc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])s1 ZINC000601936304 460951325 /nfs/dbraw/zinc/95/13/25/460951325.db2.gz RWBFHAGDPFYLLE-ZJUUUORDSA-N 1 0 334.401 3.038 20 5 EGBDRO C[C@@H](C[S@@](C)=O)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000184264919 534219491 /nfs/dbraw/zinc/21/94/91/534219491.db2.gz QKJICUGHJCJWPJ-KPWVOAKYSA-N 1 0 338.454 3.180 20 5 EGBDRO CCC[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccccc1 ZINC000192505804 529014094 /nfs/dbraw/zinc/01/40/94/529014094.db2.gz JRCPAMUVGDGWDY-MRXNPFEDSA-N 1 0 327.384 3.325 20 5 EGBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc([S@@](C)=O)cc1 ZINC000123252515 546738715 /nfs/dbraw/zinc/73/87/15/546738715.db2.gz PACOIGLTKKXFFL-NPMABZOXSA-N 1 0 332.425 3.226 20 5 EGBDRO C[C@@]1([NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCCc2ccccc21 ZINC000341713266 547589116 /nfs/dbraw/zinc/58/91/16/547589116.db2.gz ZSIIRNHBOYAICC-LJQANCHMSA-N 1 0 339.395 3.035 20 5 EGBDRO O=C(C[N@@H+]1CCC[C@H]1C1CCC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000728288234 574736205 /nfs/dbraw/zinc/73/62/05/574736205.db2.gz AUHWLMPRFSTGAZ-AWEZNQCLSA-N 1 0 337.807 3.451 20 5 EGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@@H](O)c2ccc(F)cc2F)c1 ZINC000731448617 575073512 /nfs/dbraw/zinc/07/35/12/575073512.db2.gz GYWANIIWCREHGX-OAHLLOKOSA-N 1 0 342.729 3.350 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCN(c3cc[nH+]c4ccccc43)CC2)cc1 ZINC000731913380 575219377 /nfs/dbraw/zinc/21/93/77/575219377.db2.gz ZHSSTMNQUBGUEC-UHFFFAOYSA-N 1 0 334.379 3.470 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000015129680 1291147269 /nfs/dbraw/zinc/14/72/69/1291147269.db2.gz KWNJRODMSNJPOH-CQSZACIVSA-N 1 0 342.355 3.189 20 5 EGBDRO C[C@H](CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000067272160 1292157357 /nfs/dbraw/zinc/15/73/57/1292157357.db2.gz BVXIFXUZPZUPDC-GFCCVEGCSA-N 1 0 339.823 3.098 20 5 EGBDRO C[C@@H]1CN(c2nc3ccc([N+](=O)[O-])cc3s2)CC[N@@H+](C2CC2)C1 ZINC000828260020 1292448077 /nfs/dbraw/zinc/44/80/77/1292448077.db2.gz WHDZLNUPTZVRTC-NSHDSACASA-N 1 0 332.429 3.125 20 5 EGBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000832170928 1292967825 /nfs/dbraw/zinc/96/78/25/1292967825.db2.gz ZQLXDEXLXHTKCO-NSHDSACASA-N 1 0 327.812 3.098 20 5 EGBDRO COc1ccc([C@@H](O)C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000125428330 1293507105 /nfs/dbraw/zinc/50/71/05/1293507105.db2.gz DUGODEUYPUEJRO-ACJLOTCBSA-N 1 0 330.384 3.296 20 5 EGBDRO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@@H](C)C(C)C ZINC000128376032 1293591361 /nfs/dbraw/zinc/59/13/61/1293591361.db2.gz AALUFJLNYPPTAM-LBPRGKRZSA-N 1 0 325.384 3.429 20 5 EGBDRO CC(C)C1CC[NH+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000172956509 1294451956 /nfs/dbraw/zinc/45/19/56/1294451956.db2.gz JKVLUOATSYPELD-UHFFFAOYSA-N 1 0 329.404 3.179 20 5 EGBDRO CO[C@@H]1CCC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1Br ZINC000234783250 1296179756 /nfs/dbraw/zinc/17/97/56/1296179756.db2.gz GRTQDTKKKVKJHR-ZYHUDNBSSA-N 1 0 329.194 3.014 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCOc1cccnc1 ZINC000872034842 1296685005 /nfs/dbraw/zinc/68/50/05/1296685005.db2.gz LINUUVBLKJSQOP-LBPRGKRZSA-N 1 0 333.413 3.441 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCC1(C)OCCO1 ZINC000872060912 1296706732 /nfs/dbraw/zinc/70/67/32/1296706732.db2.gz BJJQOHNUFLEZIK-NSHDSACASA-N 1 0 326.418 3.120 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000874103479 1297788932 /nfs/dbraw/zinc/78/89/32/1297788932.db2.gz ICSCWRMOAQXBDP-UHFFFAOYSA-N 1 0 333.432 3.204 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1N1CC[NH+](CCc2cccs2)CC1 ZINC000747213851 1298742767 /nfs/dbraw/zinc/74/27/67/1298742767.db2.gz ZXYUQUIGWJHKMJ-UHFFFAOYSA-N 1 0 331.441 3.329 20 5 EGBDRO COC(=O)[C@H](C)C[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC000747528997 1298796160 /nfs/dbraw/zinc/79/61/60/1298796160.db2.gz DTUZWGDVTNDVRU-SNVBAGLBSA-N 1 0 326.780 3.022 20 5 EGBDRO C[N@@H+]1CCCC[C@H]1CCOC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000747576887 1298803168 /nfs/dbraw/zinc/80/31/68/1298803168.db2.gz WXYZOAWDERSONA-NSHDSACASA-N 1 0 326.780 3.279 20 5 EGBDRO Cc1c(NC(=O)c2csc(C3CC[NH2+]CC3)n2)cccc1[N+](=O)[O-] ZINC000876550077 1298821781 /nfs/dbraw/zinc/82/17/81/1298821781.db2.gz OLMHYFAUZLBSGN-UHFFFAOYSA-N 1 0 346.412 3.079 20 5 EGBDRO CC(C)Oc1ccc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000749672246 1299253850 /nfs/dbraw/zinc/25/38/50/1299253850.db2.gz QWOYGOVPTXGLHZ-GOSISDBHSA-N 1 0 330.384 3.205 20 5 EGBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000751386579 1299544525 /nfs/dbraw/zinc/54/45/25/1299544525.db2.gz HAEPSWSNBIRKFF-UMVBOHGHSA-N 1 0 349.406 3.211 20 5 EGBDRO CC(C)C[C@H]1CCC[N@@H+]1CN1CCN(c2ccccc2[N+](=O)[O-])C1=O ZINC000752789875 1299794097 /nfs/dbraw/zinc/79/40/97/1299794097.db2.gz QMIUZULEACUAEJ-OAHLLOKOSA-N 1 0 346.431 3.305 20 5 EGBDRO C[C@H]1CCC[C@H](C)[N@H+](CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)C1 ZINC000752791420 1299796149 /nfs/dbraw/zinc/79/61/49/1299796149.db2.gz FKSOSNRVIUGQSR-GJZGRUSLSA-N 1 0 346.431 3.305 20 5 EGBDRO CC[C@@H](CSC)[N@H+](C)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878343372 1299931628 /nfs/dbraw/zinc/93/16/28/1299931628.db2.gz BXLAKBAYEPKPDK-NSHDSACASA-N 1 0 336.417 3.218 20 5 EGBDRO C[C@H](NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C(C)(C)C[NH+](C)C ZINC000754375462 1300131297 /nfs/dbraw/zinc/13/12/97/1300131297.db2.gz XXYSBCHMLHVEIT-JTQLQIEISA-N 1 0 342.827 3.346 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH+]2CCC3(CCSCC3)CC2)cc1 ZINC000879200210 1300425216 /nfs/dbraw/zinc/42/52/16/1300425216.db2.gz GULFXOYHGZUXHX-INIZCTEOSA-N 1 0 336.457 3.237 20 5 EGBDRO Cc1cc(F)cc(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000758416728 1300877480 /nfs/dbraw/zinc/87/74/80/1300877480.db2.gz FBFCEFQGSOORGE-OLZOCXBDSA-N 1 0 337.395 3.035 20 5 EGBDRO COc1cccc2c1OC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)C2 ZINC000760012387 1301210047 /nfs/dbraw/zinc/21/00/47/1301210047.db2.gz UCXZLVWBMKCRHE-HNNXBMFYSA-N 1 0 328.368 3.005 20 5 EGBDRO C[C@H]1CN(c2ccnc(F)c2[N+](=O)[O-])CC[N@H+](Cc2ccccc2)C1 ZINC000882424108 1301959215 /nfs/dbraw/zinc/95/92/15/1301959215.db2.gz NEWXNXIRONQDAN-CQSZACIVSA-N 1 0 344.390 3.087 20 5 EGBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](C)Cc1ccco1 ZINC000764773339 1302131698 /nfs/dbraw/zinc/13/16/98/1302131698.db2.gz GYHLONDIYGOCEC-STQMWFEESA-N 1 0 331.372 3.126 20 5 EGBDRO C[C@](O)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1ccccc1Cl ZINC000764984345 1302181597 /nfs/dbraw/zinc/18/15/97/1302181597.db2.gz UFRFMRODZUUEEW-INIZCTEOSA-N 1 0 338.766 3.385 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]CCNC(=O)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000765310607 1302243604 /nfs/dbraw/zinc/24/36/04/1302243604.db2.gz NDVJFXNLBZTGQC-ZDUSSCGKSA-N 1 0 345.374 3.123 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C1CCN(C[C@H]2CCCO2)CC1 ZINC000765977678 1302361518 /nfs/dbraw/zinc/36/15/18/1302361518.db2.gz RWZITGDAQHXARU-CRAIPNDOSA-N 1 0 347.459 3.197 20 5 EGBDRO CCC1(CC)C[N@H+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)CCS1 ZINC000767479724 1302690528 /nfs/dbraw/zinc/69/05/28/1302690528.db2.gz PQBZAOUBBYKVJQ-UHFFFAOYSA-N 1 0 349.460 3.213 20 5 EGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@H]2CCOC3(CCOCC3)C2)c1 ZINC000769418893 1303109942 /nfs/dbraw/zinc/10/99/42/1303109942.db2.gz QWIUNSUAWMHDAZ-ZDUSSCGKSA-N 1 0 340.807 3.066 20 5 EGBDRO CC1(C)CCC[N@H+](CCNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000769706708 1303162240 /nfs/dbraw/zinc/16/22/40/1303162240.db2.gz CTWFPLYSXDQULF-UHFFFAOYSA-N 1 0 339.823 3.100 20 5 EGBDRO C[N@H+](Cc1cccnc1[N+](=O)[O-])[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000886134510 1303368209 /nfs/dbraw/zinc/36/82/09/1303368209.db2.gz VEADXNHAXFCIEG-IRXDYDNUSA-N 1 0 345.374 3.481 20 5 EGBDRO CC[C@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000772358001 1303523836 /nfs/dbraw/zinc/52/38/36/1303523836.db2.gz VKCZFKAAIFLQDE-JQWIXIFHSA-N 1 0 325.796 3.450 20 5 EGBDRO CC(C)([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1F ZINC000886898203 1303624961 /nfs/dbraw/zinc/62/49/61/1303624961.db2.gz UTIVYXOMTQSMHQ-MRXNPFEDSA-N 1 0 336.338 3.431 20 5 EGBDRO CC(C)([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1F ZINC000886898202 1303625082 /nfs/dbraw/zinc/62/50/82/1303625082.db2.gz UTIVYXOMTQSMHQ-INIZCTEOSA-N 1 0 336.338 3.431 20 5 EGBDRO O=[N+]([O-])c1ccc2cnn(C[N@@H+]3CCC[C@@H](C[C@@H]4CCOC4)C3)c2c1 ZINC000773262000 1303651313 /nfs/dbraw/zinc/65/13/13/1303651313.db2.gz NSQBDDLNXUILRK-GJZGRUSLSA-N 1 0 344.415 3.041 20 5 EGBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCc2ccc(Cl)nc2)n1 ZINC000774223955 1303788916 /nfs/dbraw/zinc/78/89/16/1303788916.db2.gz LRFSXUHHUJIUHQ-KGLIPLIRSA-N 1 0 349.822 3.156 20 5 EGBDRO COc1cc(NC[C@H](C)[N@@H+]2CCCC[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000774513618 1303818798 /nfs/dbraw/zinc/81/87/98/1303818798.db2.gz DODNXCUFMNKWBE-OLZOCXBDSA-N 1 0 337.420 3.287 20 5 EGBDRO CC[C@](C)([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000775388078 1303953841 /nfs/dbraw/zinc/95/38/41/1303953841.db2.gz NXYVMYJHTCJEKL-SFHVURJKSA-N 1 0 327.384 3.448 20 5 EGBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000888280819 1304097752 /nfs/dbraw/zinc/09/77/52/1304097752.db2.gz CVQVKYHDCJKVRN-PHIMTYICSA-N 1 0 340.811 3.113 20 5 EGBDRO C[N@H+](CCc1ccc(Cl)cc1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776585627 1304174697 /nfs/dbraw/zinc/17/46/97/1304174697.db2.gz YHZRHJUZXHYXAX-QGZVFWFLSA-N 1 0 334.803 3.456 20 5 EGBDRO Cc1ccccc1[C@H]1CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776581381 1304174750 /nfs/dbraw/zinc/17/47/50/1304174750.db2.gz IFEFHEAGTOSKIY-QFBILLFUSA-N 1 0 326.396 3.426 20 5 EGBDRO Cc1nc(C)c([C@H](C)[N@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000776583199 1304175476 /nfs/dbraw/zinc/17/54/76/1304175476.db2.gz ZBHZPLLHBOIUMW-NHYWBVRUSA-N 1 0 335.429 3.395 20 5 EGBDRO CC[C@@H](CSC)[N@H+](C)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000777957268 1304372592 /nfs/dbraw/zinc/37/25/92/1304372592.db2.gz DWCCHLSVKSWJBC-HNNXBMFYSA-N 1 0 334.445 3.489 20 5 EGBDRO Cc1cc(N[C@@H]2CCCc3nc(C)ncc32)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000782952092 1305029434 /nfs/dbraw/zinc/02/94/34/1305029434.db2.gz IJIQPHFOQXADFJ-QGZVFWFLSA-N 1 0 349.394 3.461 20 5 EGBDRO O=C1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CN1c1ccccc1 ZINC000783608470 1305115604 /nfs/dbraw/zinc/11/56/04/1305115604.db2.gz HDEMQQOCZPLZPN-CYBMUJFWSA-N 1 0 345.786 3.143 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3C[C@@H]4C[C@]4(CO)C3)o2)c(Cl)c1 ZINC000783735663 1305136074 /nfs/dbraw/zinc/13/60/74/1305136074.db2.gz RSNJCDFOQZWVGD-APPDUMDISA-N 1 0 348.786 3.322 20 5 EGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCCN(c2ncccc2F)CC1 ZINC000784400878 1305241713 /nfs/dbraw/zinc/24/17/13/1305241713.db2.gz SNRZMEARHQEXRY-CQSZACIVSA-N 1 0 344.390 3.402 20 5 EGBDRO COc1ccc([C@H](O)C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000892514679 1305417228 /nfs/dbraw/zinc/41/72/28/1305417228.db2.gz OZFJZJPXTWIRBC-MRXNPFEDSA-N 1 0 336.775 3.080 20 5 EGBDRO CC(C)C[NH+]1CCC(NCc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000892532985 1305428413 /nfs/dbraw/zinc/42/84/13/1305428413.db2.gz VMDQBLFMPUPQJP-UHFFFAOYSA-N 1 0 325.840 3.458 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C[C@]1(O)CCc2ccccc21 ZINC000893180192 1305748839 /nfs/dbraw/zinc/74/88/39/1305748839.db2.gz CMJXVZFLLLALOW-QGZVFWFLSA-N 1 0 332.787 3.172 20 5 EGBDRO C[C@@H]([NH2+]CCCN1CCc2ccccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788504050 1305959049 /nfs/dbraw/zinc/95/90/49/1305959049.db2.gz FTKOMNBZFJEKGG-CQSZACIVSA-N 1 0 340.427 3.280 20 5 EGBDRO C[C@H]([NH2+]C[C@H](C1CCCCC1)N(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788540430 1305966000 /nfs/dbraw/zinc/96/60/00/1305966000.db2.gz RGGHTZIJUSWUBZ-SCLBCKFNSA-N 1 0 334.464 3.338 20 5 EGBDRO COCC[N@H+](Cn1nc(C)c2cc([N+](=O)[O-])ccc21)[C@@H]1CC[C@H](C)C1 ZINC000790481624 1306336222 /nfs/dbraw/zinc/33/62/22/1306336222.db2.gz XLNRPEQQIPTITI-DZGCQCFKSA-N 1 0 346.431 3.347 20 5 EGBDRO Cc1c(C[NH2+][C@@H]2CCC[C@H]2NC(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC000790695288 1308854227 /nfs/dbraw/zinc/85/42/27/1308854227.db2.gz MJKWQSXBIBJILJ-HUUCEWRRSA-N 1 0 349.431 3.439 20 5 EGBDRO COCOc1ccc(OC)cc1C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000790999076 1308906604 /nfs/dbraw/zinc/90/66/04/1308906604.db2.gz MPSQLFIFICWYPT-UHFFFAOYSA-N 1 0 346.383 3.184 20 5 EGBDRO COc1c(O)ccc(C[NH2+][C@H]2C[C@H](c3ccc(F)cc3)C2)c1[N+](=O)[O-] ZINC000894605310 1308975517 /nfs/dbraw/zinc/97/55/17/1308975517.db2.gz MUTCFVDHACNBCS-CTYIDZIISA-N 1 0 346.358 3.484 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCCN(c3cc[nH+]cc3)CC2)c2ccncc21 ZINC000894996736 1309148612 /nfs/dbraw/zinc/14/86/12/1309148612.db2.gz FYRXMXUYWKXVTA-UHFFFAOYSA-N 1 0 349.394 3.255 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CC[C@@H](C4OCCO4)C3)o2)c1 ZINC000896383903 1309832097 /nfs/dbraw/zinc/83/20/97/1309832097.db2.gz GQQIWYIVMGSMME-CQSZACIVSA-N 1 0 344.367 3.050 20 5 EGBDRO CCc1ccc([C@H](O)C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])cc1 ZINC000796451299 1310003072 /nfs/dbraw/zinc/00/30/72/1310003072.db2.gz NADXMBAQAXSFHQ-WSSFADSRSA-N 1 0 326.396 3.494 20 5 EGBDRO Cc1cc(Cl)nc(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000800492140 1310768227 /nfs/dbraw/zinc/76/82/27/1310768227.db2.gz CIFVMDYBACSBFQ-ZIAGYGMSSA-N 1 0 349.822 3.422 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1-c1noc(CC2(C[NH3+])CCCCC2)n1 ZINC000822807932 1320125249 /nfs/dbraw/zinc/12/52/49/1320125249.db2.gz LKNKUOFKMOHZEC-UHFFFAOYSA-N 1 0 330.388 3.405 20 5 EGBDRO COc1cc(C[NH2+]CC[C@]2(C)CC2(Cl)Cl)c([N+](=O)[O-])cc1O ZINC000824971554 1320301070 /nfs/dbraw/zinc/30/10/70/1320301070.db2.gz UBCNRBAFXISBAV-CYBMUJFWSA-N 1 0 349.214 3.373 20 5 EGBDRO CC1(C)CC(NC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC(C)(C)[NH2+]1 ZINC000929685263 1328668757 /nfs/dbraw/zinc/66/87/57/1328668757.db2.gz HPYCGSNIJHTYQT-HZPDHXFCSA-N 1 0 345.443 3.124 20 5 EGBDRO [NH3+]CC1(c2ccccc2)CCN(c2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC000900020116 1317219246 /nfs/dbraw/zinc/21/92/46/1317219246.db2.gz KWZYDZYLDLKERV-UHFFFAOYSA-N 1 0 346.818 3.140 20 5 EGBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1ccc([N+](=O)[O-])cc1OC(F)F ZINC000804812619 1317286824 /nfs/dbraw/zinc/28/68/24/1317286824.db2.gz JYAMKWOLPPULKH-YPMHNXCESA-N 1 0 341.358 3.259 20 5 EGBDRO CC(C)(C)[N@@H+]1CC[C@H]1C(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000900840177 1317346201 /nfs/dbraw/zinc/34/62/01/1317346201.db2.gz YBEFCTRPVOFWSS-GOEBONIOSA-N 1 0 349.456 3.042 20 5 EGBDRO CCC(=O)N1CCC(C[N@@H+](CC)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000957656419 1317527068 /nfs/dbraw/zinc/52/70/68/1317527068.db2.gz DFAUIKCJOBAACS-UHFFFAOYSA-N 1 0 333.432 3.065 20 5 EGBDRO CC(C)c1ccc(C[NH2+][C@@H]2COc3ccccc3[C@@H]2O)cc1[N+](=O)[O-] ZINC000808454102 1317680066 /nfs/dbraw/zinc/68/00/66/1317680066.db2.gz MDBRGOWILBWFQM-APWZRJJASA-N 1 0 342.395 3.302 20 5 EGBDRO O=[N+]([O-])c1ccc(Cl)c(CNc2c[nH+]ccc2-n2cccn2)c1 ZINC000809632022 1317851705 /nfs/dbraw/zinc/85/17/05/1317851705.db2.gz LMMBBNOGYVXEHB-UHFFFAOYSA-N 1 0 329.747 3.441 20 5 EGBDRO C[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccnc1Cl ZINC000905854419 1318008473 /nfs/dbraw/zinc/00/84/73/1318008473.db2.gz WIYHYQCTSJIQJP-GHMZBOCLSA-N 1 0 348.790 3.321 20 5 EGBDRO [NH3+][C@H]1C[C@H](NCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000906517289 1318112264 /nfs/dbraw/zinc/11/22/64/1318112264.db2.gz LYJNTAHFEGVZGP-HDJSIYSDSA-N 1 0 331.347 3.106 20 5 EGBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]C[C@H](O)c1ccco1 ZINC000811473412 1318182018 /nfs/dbraw/zinc/18/20/18/1318182018.db2.gz YCADNWXBCQURFT-NSHDSACASA-N 1 0 331.155 3.318 20 5 EGBDRO CC[C@H](C)[N@H+](C)CCNc1cc(Cl)c(C(=O)OC)cc1[N+](=O)[O-] ZINC000811802997 1318270312 /nfs/dbraw/zinc/27/03/12/1318270312.db2.gz GEAVGDCWCVNAOT-JTQLQIEISA-N 1 0 343.811 3.177 20 5 EGBDRO CC(C)(CCc1noc(-c2cccc(C[NH+]3CCCC3)c2)n1)[N+](=O)[O-] ZINC000812813033 1318462588 /nfs/dbraw/zinc/46/25/88/1318462588.db2.gz CNQVNRYVMWCPGP-UHFFFAOYSA-N 1 0 344.415 3.320 20 5 EGBDRO CC(C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)=C1CCCC1 ZINC001021957195 1318749332 /nfs/dbraw/zinc/74/93/32/1318749332.db2.gz NEJLTCKTJZUGNQ-CALCHBBNSA-N 1 0 343.427 3.222 20 5 EGBDRO CC[C@](C)(CC(=O)OC)[NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000815073357 1318883475 /nfs/dbraw/zinc/88/34/75/1318883475.db2.gz KIKRMRUOQKJSDP-CQSZACIVSA-N 1 0 348.321 3.435 20 5 EGBDRO C[NH+](C)Cc1cccc(NC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC000930137929 1328795536 /nfs/dbraw/zinc/79/55/36/1328795536.db2.gz LVEOMERYQQBCCE-QZTJIDSGSA-N 1 0 339.395 3.399 20 5 EGBDRO C[C@H]([NH2+]C[C@H](Cc1ccccc1)N(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815553239 1319014866 /nfs/dbraw/zinc/01/48/66/1319014866.db2.gz VEPVUZQDGSAGST-YOEHRIQHSA-N 1 0 342.443 3.001 20 5 EGBDRO C[C@H]([NH2+][C@H]1CN(C)Cc2ccccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815599020 1319023936 /nfs/dbraw/zinc/02/39/36/1319023936.db2.gz IYPDDEWUXFWGNE-SJCJKPOMSA-N 1 0 326.400 3.014 20 5 EGBDRO C[C@H]([NH2+]CC[C@H]1COc2ccccc2O1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815597102 1319023950 /nfs/dbraw/zinc/02/39/50/1319023950.db2.gz MKBPFELWRPMSPX-JSGCOSHPSA-N 1 0 343.383 3.058 20 5 EGBDRO C[C@H]([NH2+]C[C@@H](O)c1ccccc1Cl)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815594321 1319024238 /nfs/dbraw/zinc/02/42/38/1319024238.db2.gz MABATMIJTBYCHF-MGPLVRAMSA-N 1 0 335.791 3.215 20 5 EGBDRO C[C@H]([NH2+]C[C@H]1COC2(CCCCCC2)O1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815609217 1319027186 /nfs/dbraw/zinc/02/71/86/1319027186.db2.gz AKJBOBKNMRTAQC-ZFWWWQNUSA-N 1 0 349.431 3.294 20 5 EGBDRO Cc1ccc([C@H](O)[C@H](C)[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000815625396 1319030570 /nfs/dbraw/zinc/03/05/70/1319030570.db2.gz BWILXPSKFAUTKR-ZJNRKIDTSA-N 1 0 329.400 3.258 20 5 EGBDRO COc1cc([C@H](C)[NH2+]CC[N+](=O)[O-])ccc1OCc1ccccc1 ZINC000930203048 1328810513 /nfs/dbraw/zinc/81/05/13/1328810513.db2.gz ZFFHNPNIDULKKM-AWEZNQCLSA-N 1 0 330.384 3.202 20 5 EGBDRO C[C@H]([NH2+]C[C@@H](O)CCOCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000930208250 1328811759 /nfs/dbraw/zinc/81/17/59/1328811759.db2.gz LCWMOMXVNWHTFV-KXBFYZLASA-N 1 0 344.411 3.213 20 5 EGBDRO COc1ccc(C[NH+](C)C)cc1NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000914845435 1319387491 /nfs/dbraw/zinc/38/74/91/1319387491.db2.gz QYFAMLNFWYZHDA-UHFFFAOYSA-N 1 0 343.383 3.226 20 5 EGBDRO C[C@H]([NH3+])[C@H](Cc1ccccc1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000817907834 1319458373 /nfs/dbraw/zinc/45/83/73/1319458373.db2.gz XISNLYBOBKWXSK-SJCJKPOMSA-N 1 0 333.819 3.296 20 5 EGBDRO CC(C)[C@@H](C[NH+](C)C)NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000915625565 1319509622 /nfs/dbraw/zinc/50/96/22/1319509622.db2.gz TXIGQIPDBFJXMJ-OAHLLOKOSA-N 1 0 335.448 3.208 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]Cc2ccccc2N2CCCC2)c1 ZINC000818972904 1319599341 /nfs/dbraw/zinc/59/93/41/1319599341.db2.gz OMCFLZWGDAJUOU-LJQANCHMSA-N 1 0 341.411 3.018 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CC2(c3ccc(F)cc3)CCC2)c1 ZINC000818989054 1319607701 /nfs/dbraw/zinc/60/77/01/1319607701.db2.gz HNPFKSUQJZZSHU-SFHVURJKSA-N 1 0 344.386 3.479 20 5 EGBDRO CCc1cccc2c1OCC[C@@H]2[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818997904 1319609592 /nfs/dbraw/zinc/60/95/92/1319609592.db2.gz NQPPDUVMMGWODA-ZWKOTPCHSA-N 1 0 342.395 3.304 20 5 EGBDRO C[C@@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)Sc1ccccc1 ZINC000819116038 1319640402 /nfs/dbraw/zinc/64/04/02/1319640402.db2.gz MDYAMFVVQXIDKJ-GUYCJALGSA-N 1 0 332.425 3.399 20 5 EGBDRO CC[C@H](C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)Oc1ccccc1C ZINC000819135381 1319645160 /nfs/dbraw/zinc/64/51/60/1319645160.db2.gz CJGGFDBQKCDUQK-QZTJIDSGSA-N 1 0 344.411 3.384 20 5 EGBDRO CC(C)[C@@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1cccnc1 ZINC000819139354 1319646208 /nfs/dbraw/zinc/64/62/08/1319646208.db2.gz CTWWEVPBVNQXDK-MSOLQXFVSA-N 1 0 329.400 3.053 20 5 EGBDRO CCOCCC1(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CCCC1 ZINC000819158786 1319652394 /nfs/dbraw/zinc/65/23/94/1319652394.db2.gz ZMPIASFCBRUFOH-KRWDZBQOSA-N 1 0 336.432 3.205 20 5 EGBDRO CCC(CC)[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000819214460 1319670727 /nfs/dbraw/zinc/67/07/27/1319670727.db2.gz ROZNKAKHVUHPAP-SZMVWBNQSA-N 1 0 336.432 3.202 20 5 EGBDRO CC(C)(C)OC1CC(CC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000819264208 1319683189 /nfs/dbraw/zinc/68/31/89/1319683189.db2.gz NUPIXXNOQRWRFZ-IMRCBTMISA-N 1 0 336.432 3.202 20 5 EGBDRO CSc1cccc(F)c1C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819303673 1319692822 /nfs/dbraw/zinc/69/28/22/1319692822.db2.gz JGKVUEJSNHYTES-OAHLLOKOSA-N 1 0 336.388 3.279 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@@H]2CSc3ccccc32)c1 ZINC000819337501 1319702658 /nfs/dbraw/zinc/70/26/58/1319702658.db2.gz SLWPEDCKGXUMJC-CJNGLKHVSA-N 1 0 330.409 3.107 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]Cc2cc(C3CC3)ccc2F)cc1 ZINC000819338595 1319702801 /nfs/dbraw/zinc/70/28/01/1319702801.db2.gz DIHHQKQDYXOZCS-GOSISDBHSA-N 1 0 330.359 3.435 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@@H]2CSc3ccccc32)cc1 ZINC000819336708 1319702884 /nfs/dbraw/zinc/70/28/84/1319702884.db2.gz KMLPBKMVSBWMQP-CZUORRHYSA-N 1 0 330.409 3.107 20 5 EGBDRO CC(C)(CCc1noc(C(C)(C)[C@@H]([NH3+])c2ccccc2)n1)[N+](=O)[O-] ZINC000823235919 1320164349 /nfs/dbraw/zinc/16/43/49/1320164349.db2.gz VWSSTYBWRCNSHH-AWEZNQCLSA-N 1 0 332.404 3.035 20 5 EGBDRO COC1(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCCC1 ZINC000824446221 1320258594 /nfs/dbraw/zinc/25/85/94/1320258594.db2.gz TUCKRBLQSCNZOS-UHFFFAOYSA-N 1 0 333.432 3.112 20 5 EGBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000825796382 1320363397 /nfs/dbraw/zinc/36/33/97/1320363397.db2.gz DNDSIQXIQUNFNU-LBPRGKRZSA-N 1 0 339.823 3.161 20 5 EGBDRO C[NH2+][C@@H](CC(C)(C)C)C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000826652315 1320393234 /nfs/dbraw/zinc/39/32/34/1320393234.db2.gz ORCFVMRUHDNIQQ-AWEZNQCLSA-N 1 0 341.839 3.231 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C(=O)NCC[NH+]2CCCCCC2)cc1Cl ZINC000836353514 1320477354 /nfs/dbraw/zinc/47/73/54/1320477354.db2.gz FFARQIRFGTVPLC-UHFFFAOYSA-N 1 0 339.823 3.162 20 5 EGBDRO CC[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839581835 1320941187 /nfs/dbraw/zinc/94/11/87/1320941187.db2.gz UWLAVWGPDYKTHU-ZYHUDNBSSA-N 1 0 325.796 3.355 20 5 EGBDRO CC[C@@H]1OCC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1Br ZINC000839619548 1320946594 /nfs/dbraw/zinc/94/65/94/1320946594.db2.gz PZQXLXPWSNAYAZ-PWSUYJOCSA-N 1 0 329.194 3.014 20 5 EGBDRO COC1([C@H](C)[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCC1 ZINC000840884773 1321170106 /nfs/dbraw/zinc/17/01/06/1321170106.db2.gz QKEVLKWLUNUWNI-AWEZNQCLSA-N 1 0 333.432 3.111 20 5 EGBDRO CC(C)(C)OC(=O)Nc1cccc(C2CC[NH+](CC[N+](=O)[O-])CC2)c1 ZINC000930697723 1328941859 /nfs/dbraw/zinc/94/18/59/1328941859.db2.gz SMBLJAFVNFVYFB-UHFFFAOYSA-N 1 0 349.431 3.490 20 5 EGBDRO CC(C)[N@@H+]1CCC[C@@H](COC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000842834174 1321438997 /nfs/dbraw/zinc/43/89/97/1321438997.db2.gz RGOQPYIOSOEWCO-LSDHHAIUSA-N 1 0 334.416 3.362 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCC[C@@H]2CC2(Cl)Cl)c1 ZINC000844276344 1321584517 /nfs/dbraw/zinc/58/45/17/1321584517.db2.gz FYNGVYVQARUOLT-YPMHNXCESA-N 1 0 333.215 3.192 20 5 EGBDRO C[C@H]([NH2+]C1(C2CCC2)CC1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000844418714 1321603958 /nfs/dbraw/zinc/60/39/58/1321603958.db2.gz SHTOBZUAPRNWRN-JTQLQIEISA-N 1 0 337.807 3.498 20 5 EGBDRO O=[N+]([O-])c1cc(F)c(Cl)cc1N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000845494367 1321712647 /nfs/dbraw/zinc/71/26/47/1321712647.db2.gz PSDDUNIMDZQPFD-LLVKDONJSA-N 1 0 327.787 3.309 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C(=O)N(C)CC[NH+]2CCCCC2)cc1Cl ZINC000846612117 1321795957 /nfs/dbraw/zinc/79/59/57/1321795957.db2.gz NJQIBPINVXOFCB-UHFFFAOYSA-N 1 0 339.823 3.115 20 5 EGBDRO CCC(C)(C)[NH+]1CCN(Cn2nc(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000848496297 1321966021 /nfs/dbraw/zinc/96/60/21/1321966021.db2.gz ARQNQJSRKZSTHU-UHFFFAOYSA-N 1 0 345.447 3.017 20 5 EGBDRO C[C@H](CNC(=O)OC(C)(C)C)C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000848534951 1321970967 /nfs/dbraw/zinc/97/09/67/1321970967.db2.gz BMXQXOXPAAXELM-SWLSCSKDSA-N 1 0 349.431 3.333 20 5 EGBDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000920744981 1322216286 /nfs/dbraw/zinc/21/62/86/1322216286.db2.gz QRXIQKJWVILKGT-QIENPNARSA-N 1 0 345.443 3.235 20 5 EGBDRO O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)c1ccc([N+](=O)[O-])[nH]1 ZINC000922835837 1322629613 /nfs/dbraw/zinc/62/96/13/1322629613.db2.gz GBRKDIQCFMMEFX-UHFFFAOYSA-N 1 0 328.372 3.161 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cc(C2CC2)n(C)n1 ZINC000922954530 1322660035 /nfs/dbraw/zinc/66/00/35/1322660035.db2.gz GGYWOXPDKOBSGC-JYRVWZFOSA-N 1 0 326.400 3.399 20 5 EGBDRO [NH3+]CC[C@@H]1CCCCN1Cc1cc([N+](=O)[O-])ccc1Br ZINC000923354404 1322739313 /nfs/dbraw/zinc/73/93/13/1322739313.db2.gz TXYCCOAWIYNKJY-LBPRGKRZSA-N 1 0 342.237 3.061 20 5 EGBDRO C[N@@H+]1CCCC[C@@H]1CCOC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000923400354 1322745768 /nfs/dbraw/zinc/74/57/68/1322745768.db2.gz AFRLPDSEGCRJLZ-CYBMUJFWSA-N 1 0 338.429 3.105 20 5 EGBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)C[C@H]1[NH2+]Cc3ccccc31)CC2 ZINC000851639229 1323066713 /nfs/dbraw/zinc/06/67/13/1323066713.db2.gz PDVHUXOCNXRAOM-MRXNPFEDSA-N 1 0 337.379 3.027 20 5 EGBDRO CC(C)(C)OC(=O)NCC1CC([NH2+]CCc2cccc([N+](=O)[O-])c2)C1 ZINC000925644239 1325244907 /nfs/dbraw/zinc/24/49/07/1325244907.db2.gz ZKWFSNWCESBPDZ-UHFFFAOYSA-N 1 0 349.431 3.030 20 5 EGBDRO C[NH+](C)CCN(Cc1ccccc1F)c1ccc([N+](=O)[O-])cc1F ZINC000864005042 1329593471 /nfs/dbraw/zinc/59/34/71/1329593471.db2.gz XQOMZYSCDGDMBE-UHFFFAOYSA-N 1 0 335.354 3.441 20 5 EGBDRO O=[N+]([O-])c1cc(CO)c(NC[C@H](c2ccco2)[NH+]2CCCC2)cc1F ZINC000865406894 1329692513 /nfs/dbraw/zinc/69/25/13/1329692513.db2.gz MBCWBXOTXDQBKN-MRXNPFEDSA-N 1 0 349.362 3.068 20 5 EGBDRO CCC(CC)[C@H](CNc1cc(F)c([N+](=O)[O-])cc1CO)[NH+](C)C ZINC000865428306 1329696170 /nfs/dbraw/zinc/69/61/70/1329696170.db2.gz LTQRLSQCVBYZCD-INIZCTEOSA-N 1 0 327.400 3.005 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CC[C@@H](C[NH+]3CCCC3)C2)c(C(F)F)c1 ZINC000865551169 1329712754 /nfs/dbraw/zinc/71/27/54/1329712754.db2.gz XOKNSKFTIPJRCY-LBPRGKRZSA-N 1 0 325.359 3.455 20 5 EGBDRO Cc1ccc(C[NH2+]Cc2cc3c([nH]c2=O)CCCC3)cc1[N+](=O)[O-] ZINC000865879330 1329748512 /nfs/dbraw/zinc/74/85/12/1329748512.db2.gz MOGMTDJBSAAHNA-UHFFFAOYSA-N 1 0 327.384 3.172 20 5 EGBDRO C[C@@H]([NH2+]CCC(=O)N1CCc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000932178395 1329791392 /nfs/dbraw/zinc/79/13/92/1329791392.db2.gz NGUFFSLXATVHDY-CQSZACIVSA-N 1 0 339.395 3.225 20 5 EGBDRO C[C@@H]([NH2+]CC(=O)N(C)Cc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000932181257 1329791674 /nfs/dbraw/zinc/79/16/74/1329791674.db2.gz LDJKGYXGSDFTLR-CYBMUJFWSA-N 1 0 345.374 3.043 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)Cc1cccnc1 ZINC000934234102 1329957467 /nfs/dbraw/zinc/95/74/67/1329957467.db2.gz JMSSOXZRIIQZME-CQSZACIVSA-N 1 0 329.400 3.498 20 5 EGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H](c1ccco1)N(C)C ZINC000866216138 1330079609 /nfs/dbraw/zinc/07/96/09/1330079609.db2.gz CXKZTUODZNSBIZ-BLLLJJGKSA-N 1 0 335.379 3.150 20 5 EGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@](C)(O)c1ccsc1 ZINC000866271892 1330088587 /nfs/dbraw/zinc/08/85/87/1330088587.db2.gz QKNWFICZDFARKP-ZBEGNZNMSA-N 1 0 338.404 3.224 20 5 EGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000866289900 1330091419 /nfs/dbraw/zinc/09/14/19/1330091419.db2.gz LTROXOFAKBBXSJ-LLVKDONJSA-N 1 0 333.319 3.363 20 5 EGBDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000866354081 1330101396 /nfs/dbraw/zinc/10/13/96/1330101396.db2.gz FOYGNLYNBMNZOI-UHFFFAOYSA-N 1 0 345.374 3.285 20 5 EGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H](O)[C@@H](C)c1ccccc1 ZINC000866394737 1330105967 /nfs/dbraw/zinc/10/59/67/1330105967.db2.gz YVEYHDXZXPMNJA-TYILLQQXSA-N 1 0 346.402 3.419 20 5 EGBDRO Cc1cc(C[NH+](C)C)cc(NC(=O)Cc2cccc(F)c2[N+](=O)[O-])c1 ZINC000867021233 1330166365 /nfs/dbraw/zinc/16/63/65/1330166365.db2.gz XGOVIDRZLKNEGU-UHFFFAOYSA-N 1 0 345.374 3.285 20 5 EGBDRO Cc1cc(C)cc([C@H](C)NC(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)c1 ZINC000867949035 1330232178 /nfs/dbraw/zinc/23/21/78/1330232178.db2.gz LVQVHYMSLUFSJM-IFXJQAMLSA-N 1 0 341.411 3.263 20 5 EGBDRO CC(C)=CC(=O)N1CCC(C[N@@H+](C)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001029929577 1341124756 /nfs/dbraw/zinc/12/47/56/1341124756.db2.gz XOEWXXXGUYCVKD-UHFFFAOYSA-N 1 0 345.443 3.231 20 5 EGBDRO O=C(N[C@H]1CC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1)C1CC=CC1 ZINC001034612101 1342647860 /nfs/dbraw/zinc/64/78/60/1342647860.db2.gz IEOCRQMXVSHGCT-QAQDUYKDSA-N 1 0 343.427 3.078 20 5 EGBDRO O=C(C=C1CCC1)N[C@H]1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001034623597 1342655869 /nfs/dbraw/zinc/65/58/69/1342655869.db2.gz IUPQTWCBGZBLOK-QAQDUYKDSA-N 1 0 343.427 3.222 20 5 EGBDRO O=[N+]([O-])c1cc(O[C@@H]2CC[C@]23CC[NH2+]C3)c(F)cc1Br ZINC001218117805 1373564154 /nfs/dbraw/zinc/56/41/54/1373564154.db2.gz OLVZDFLXRRAARB-CHWSQXEVSA-N 1 0 345.168 3.017 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCC(=O)N1CCC[C@H](C)C1 ZINC001323490691 1387376342 /nfs/dbraw/zinc/37/63/42/1387376342.db2.gz CNAGYBYVLQTPSX-ZFWWWQNUSA-N 1 0 333.432 3.202 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCC(=O)N1CCC[C@@H](C)C1 ZINC001323490690 1387376423 /nfs/dbraw/zinc/37/64/23/1387376423.db2.gz CNAGYBYVLQTPSX-UKRRQHHQSA-N 1 0 333.432 3.202 20 5 EGBDRO [NH3+]CCN(Cc1ccccc1N1CCCC1)c1ccccc1[N+](=O)[O-] ZINC001323726941 1387433238 /nfs/dbraw/zinc/43/32/38/1387433238.db2.gz DKXHBKFTNVSJDZ-UHFFFAOYSA-N 1 0 340.427 3.160 20 5 EGBDRO O=[N+]([O-])c1ccc2oc(=S)n(CN3CC[C@@H]4OCCC[C@@H]4C3)c2c1 ZINC001324060205 1387523739 /nfs/dbraw/zinc/52/37/39/1387523739.db2.gz XFCHSZXKMUDMMR-RISCZKNCSA-N 1 0 349.412 3.330 20 5 EGBDRO CS[C@H]1CC[C@@H]([N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC001324187039 1387553474 /nfs/dbraw/zinc/55/34/74/1387553474.db2.gz QKRRXLWSGCQAQU-OCCSQVGLSA-N 1 0 337.445 3.058 20 5 EGBDRO CS[C@@H]1CC[C@@H]([N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC001324187041 1387553623 /nfs/dbraw/zinc/55/36/23/1387553623.db2.gz QKRRXLWSGCQAQU-TZMCWYRMSA-N 1 0 337.445 3.058 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CCC([NH+](CC)CC)CC1 ZINC001324712607 1387748114 /nfs/dbraw/zinc/74/81/14/1387748114.db2.gz ZKPHTDLXQUVQPW-UHFFFAOYSA-N 1 0 335.448 3.300 20 5 EGBDRO CCn1nc(C)c([N+](=O)[O-])c1Nc1cccc(C[NH+]2CCCC2)c1 ZINC001325021694 1387875698 /nfs/dbraw/zinc/87/56/98/1387875698.db2.gz ZKXKPMXBWRGQBZ-UHFFFAOYSA-N 1 0 329.404 3.459 20 5 EGBDRO CCCCCC(=O)N1CCCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001194856723 1368335467 /nfs/dbraw/zinc/33/54/67/1368335467.db2.gz YVRXCJIXPVTBOH-UHFFFAOYSA-N 1 0 333.432 3.209 20 5 EGBDRO CCCCCC(=O)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001199334386 1369209264 /nfs/dbraw/zinc/20/92/64/1369209264.db2.gz AXTPEYKXORMMOQ-UHFFFAOYSA-N 1 0 333.432 3.256 20 5 EGBDRO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2-c1cncc(O)c1 ZINC001201642452 1369595399 /nfs/dbraw/zinc/59/53/99/1369595399.db2.gz UPMRAFPKLHMHKI-UHFFFAOYSA-N 1 0 346.390 3.345 20 5 EGBDRO CC1(C(=O)NCC2([NH2+]Cc3ccc([N+](=O)[O-])cc3)CCCCC2)CC1 ZINC001115549106 1370546213 /nfs/dbraw/zinc/54/62/13/1370546213.db2.gz YJOFEIUSTUCGSK-UHFFFAOYSA-N 1 0 345.443 3.304 20 5 EGBDRO CC/C(C)=C\C(=O)N1CCC(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001205196710 1370676692 /nfs/dbraw/zinc/67/66/92/1370676692.db2.gz VHXMZDDPKYLRRC-PTNGSMBKSA-N 1 0 345.443 3.279 20 5 EGBDRO C[NH+](C)[C@@H]1CCCC[C@@H]1Nc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC001116139372 1370845794 /nfs/dbraw/zinc/84/57/94/1370845794.db2.gz PQYGUQYVRQMBBY-NWDGAFQWSA-N 1 0 329.347 3.481 20 5 EGBDRO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2C(=O)[C@@H]1CCC=N1 ZINC001187364450 1388099637 /nfs/dbraw/zinc/09/96/37/1388099637.db2.gz GUYPMAIWTALIPL-INIZCTEOSA-N 1 0 348.406 3.128 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1-c1noc(-c2ccn(-c3cc[nH+]cc3)n2)n1 ZINC001117550460 1371052665 /nfs/dbraw/zinc/05/26/65/1371052665.db2.gz XTJKGNRFYLNSFC-UHFFFAOYSA-N 1 0 348.322 3.201 20 5 EGBDRO CC[NH2+]Cc1cccc(NC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001118022078 1371122926 /nfs/dbraw/zinc/12/29/26/1371122926.db2.gz ZSLAKBCHJPMEAQ-UHFFFAOYSA-N 1 0 340.383 3.252 20 5 EGBDRO COc1c(O)ccc(C[N@H+](C)[C@@H]2CC[C@@H](SC)C2)c1[N+](=O)[O-] ZINC001120017908 1371457807 /nfs/dbraw/zinc/45/78/07/1371457807.db2.gz JDQQKZXUBDVQQO-VXGBXAGGSA-N 1 0 326.418 3.025 20 5 EGBDRO C/C=C(/C)C(=O)NC1CC2(C1)CC([NH2+]Cc1csc([N+](=O)[O-])c1)C2 ZINC001120908396 1371803965 /nfs/dbraw/zinc/80/39/65/1371803965.db2.gz WWAQCBUQEZKGNZ-JYOAFUTRSA-N 1 0 349.456 3.140 20 5 EGBDRO Cc1cncc([N+](=O)[O-])c1N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001326420461 1388183123 /nfs/dbraw/zinc/18/31/23/1388183123.db2.gz HVPITQZWNTYPIG-WBVHZDCISA-N 1 0 340.427 3.185 20 5 EGBDRO CC[NH+](CC)CC[C@H](C)NC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC001124133008 1372679007 /nfs/dbraw/zinc/67/90/07/1372679007.db2.gz FWRGOLXDPIPBTJ-LBPRGKRZSA-N 1 0 339.461 3.167 20 5 EGBDRO Cc1ccc(Nc2cccc(N3CC[NH+](C)CC3)c2)cc1[N+](=O)[O-] ZINC001213667742 1372943066 /nfs/dbraw/zinc/94/30/66/1372943066.db2.gz YOBOYXNCEVFKBU-UHFFFAOYSA-N 1 0 326.400 3.399 20 5 EGBDRO CC(C)(C)CCCCC(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001128044409 1373212330 /nfs/dbraw/zinc/21/23/30/1373212330.db2.gz PLTCHOINTDLHLW-UHFFFAOYSA-N 1 0 335.448 3.407 20 5 EGBDRO O=c1c2ccccc2oc2cc(O[C@H]3CCC[NH2+]C[C@H]3F)ccc12 ZINC001217946767 1373516278 /nfs/dbraw/zinc/51/62/78/1373516278.db2.gz GQHPYHRHNDDPPI-WBVHZDCISA-N 1 0 327.355 3.415 20 5 EGBDRO CCC(C)(C)c1cc([N+](=O)[O-])c(O[C@H]2C[C@@H]([NH2+]C)C2)c([N+](=O)[O-])c1 ZINC001217956835 1373519331 /nfs/dbraw/zinc/51/93/31/1373519331.db2.gz GDEMAFQVKDIGQG-TXEJJXNPSA-N 1 0 337.376 3.320 20 5 EGBDRO CCC(C)(C)c1cc([N+](=O)[O-])c(OC2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC001217963613 1373521247 /nfs/dbraw/zinc/52/12/47/1373521247.db2.gz IQPLUCCDFPJTPR-UHFFFAOYSA-N 1 0 337.376 3.321 20 5 EGBDRO CC(C)(C)OC(=O)c1ccc([N+](=O)[O-])c(O[C@H]2CCCC[NH2+]C2)c1 ZINC001217978046 1373524410 /nfs/dbraw/zinc/52/44/10/1373524410.db2.gz XWYYZMBXBVNZAW-ZDUSSCGKSA-N 1 0 336.388 3.071 20 5 EGBDRO Cc1cc(Br)cc([N+](=O)[O-])c1O[C@H](C)C1CC[NH2+]CC1 ZINC001218011256 1373536595 /nfs/dbraw/zinc/53/65/95/1373536595.db2.gz ZGAGOPDKJFMKME-SNVBAGLBSA-N 1 0 343.221 3.433 20 5 EGBDRO C[C@H]1CC[NH2+]CC[C@@H]1Oc1cc([N+](=O)[O-])c(F)cc1Br ZINC001218026306 1373541425 /nfs/dbraw/zinc/54/14/25/1373541425.db2.gz IDKDNMUHLJRWIU-UFBFGSQYSA-N 1 0 347.184 3.263 20 5 EGBDRO C[C@@H]1C[C@H](Oc2c(Br)cc(Cl)cc2[N+](=O)[O-])C[NH2+]1 ZINC001218047782 1373547138 /nfs/dbraw/zinc/54/71/38/1373547138.db2.gz CUUXKYWNUWBEFK-SVRRBLITSA-N 1 0 335.585 3.140 20 5 EGBDRO Oc1cccc2cc3cccc(O)c3c(O[C@H]3CC[NH2+]C[C@H]3F)c12 ZINC001218070116 1373553968 /nfs/dbraw/zinc/55/39/68/1373553968.db2.gz LOKYRDNWEVIQGF-CJNGLKHVSA-N 1 0 327.355 3.483 20 5 EGBDRO O=[N+]([O-])c1cc2nc(O[C@@H]3CCC34CC[NH2+]CC4)[nH]c2cc1Cl ZINC001218079743 1373556338 /nfs/dbraw/zinc/55/63/38/1373556338.db2.gz IQELVPXSJKNMJY-CYBMUJFWSA-N 1 0 336.779 3.036 20 5 EGBDRO O=[N+]([O-])c1cc(Br)ccc1O[C@@H]1CCC[C@]12CC[NH2+]C2 ZINC001218089922 1373557503 /nfs/dbraw/zinc/55/75/03/1373557503.db2.gz BJLYJGLEDGSCCI-ZIAGYGMSSA-N 1 0 341.205 3.268 20 5 EGBDRO O=c1oc2cc(O[C@H]3CSC4(C[NH2+]C4)C3)ccc2c2ccccc12 ZINC001218097006 1373559866 /nfs/dbraw/zinc/55/98/66/1373559866.db2.gz LPPMCDUHTSXADC-CYBMUJFWSA-N 1 0 339.416 3.173 20 5 EGBDRO C[NH2+][C@H]1CC[C@H](Oc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC001218186639 1373574693 /nfs/dbraw/zinc/57/46/93/1373574693.db2.gz FSCCBUCRYYESHQ-XYPYZODXSA-N 1 0 329.194 3.267 20 5 EGBDRO CCC(C)(C)c1cc([N+](=O)[O-])c(O[C@@H]2C=CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001218333263 1373599335 /nfs/dbraw/zinc/59/93/35/1373599335.db2.gz DCEUUOXXZUOWIM-GFCCVEGCSA-N 1 0 335.360 3.097 20 5 EGBDRO O=[N+]([O-])c1cc(O[C@@H]2C[NH2+]CCC23CC3)c(Br)cc1F ZINC001218400235 1373607415 /nfs/dbraw/zinc/60/74/15/1373607415.db2.gz SSXUYMRBZDVCOL-GFCCVEGCSA-N 1 0 345.168 3.017 20 5 EGBDRO C[C@H]1CC[C@@H](Oc2ccc3c(c2)oc2cc(O)ccc2c3=O)C[NH2+]1 ZINC001218400342 1373607554 /nfs/dbraw/zinc/60/75/54/1373607554.db2.gz DLFQVNLSTHOPML-SMDDNHRTSA-N 1 0 325.364 3.171 20 5 EGBDRO Cc1cc(Br)cc([N+](=O)[O-])c1O[C@H]1CC[NH2+]C[C@@H]1C ZINC001218424949 1373610559 /nfs/dbraw/zinc/61/05/59/1373610559.db2.gz PGQCPMYURQTXAA-CABZTGNLSA-N 1 0 329.194 3.043 20 5 EGBDRO CC1(C)C[C@H](Oc2cc([N+](=O)[O-])c(F)cc2Br)CC[NH2+]1 ZINC001218475001 1373621101 /nfs/dbraw/zinc/62/11/01/1373621101.db2.gz JBSPGYVUFMKFDB-MRVPVSSYSA-N 1 0 347.184 3.406 20 5 EGBDRO Cn1ccc(NC(=O)[C@@H]([NH3+])Cc2c3ccccc3cc3ccccc32)n1 ZINC001218497785 1373626004 /nfs/dbraw/zinc/62/60/04/1373626004.db2.gz NOGZKEYDZGGIOZ-IBGZPJMESA-N 1 0 344.418 3.235 20 5 EGBDRO CC(C)(C)[C@H]([NH3+])CC(=O)Nc1cc2nc3ccccc3nc2cc1N ZINC001218860218 1373662666 /nfs/dbraw/zinc/66/26/66/1373662666.db2.gz VHWFVKXKPHEXPC-QGZVFWFLSA-N 1 0 337.427 3.067 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1C[C@H](C)O[C@@H](CC[NH+](C)C)c1ccccc1 ZINC001224134239 1375054536 /nfs/dbraw/zinc/05/45/36/1375054536.db2.gz POEDJOGHNCWHPI-YOEHRIQHSA-N 1 0 346.431 3.198 20 5 EGBDRO Cc1cc(O[C@H]2CCC[N@@H+]([C@@H](C)c3ccccn3)C2)ncc1[N+](=O)[O-] ZINC001225658862 1375139563 /nfs/dbraw/zinc/13/95/63/1375139563.db2.gz LZNDTEBHQHKZDF-GJZGRUSLSA-N 1 0 342.399 3.298 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(O[C@@H]2CC[N@@H+]([C@@H](C)c3ccccn3)C2)c1 ZINC001226447126 1375260391 /nfs/dbraw/zinc/26/03/91/1375260391.db2.gz PKYUECPNPQSTGG-DZGCQCFKSA-N 1 0 343.383 3.213 20 5 EGBDRO C[N@@H+]1[C@@H]2C[C@@H](Oc3ccc4c(c3)oc(=O)c3ccccc43)[C@H]1CC(=O)C2 ZINC001226515402 1375272873 /nfs/dbraw/zinc/27/28/73/1375272873.db2.gz SNFCVASZRWVJQT-GCKAQTDUSA-N 1 0 349.386 3.129 20 5 EGBDRO O=[N+]([O-])c1cnc(O[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1Cl ZINC001226918395 1375358061 /nfs/dbraw/zinc/35/80/61/1375358061.db2.gz UWWMLBVQKHTNOA-CYBMUJFWSA-N 1 0 333.775 3.297 20 5 EGBDRO C[C@H](Oc1ccccc1[N+](=O)[O-])[C@H]1CN(Cc2ccccc2)CCO1 ZINC001227479694 1375435487 /nfs/dbraw/zinc/43/54/87/1375435487.db2.gz HXQSPXVSZMQACN-HNAYVOBHSA-N 1 0 342.395 3.263 20 5 EGBDRO C[C@H](c1ccccn1)[N@@H+]1CC[C@@H](Oc2ccc([N+](=O)[O-])c(Cl)n2)C1 ZINC001228937980 1375721404 /nfs/dbraw/zinc/72/14/04/1375721404.db2.gz LREHNBCSALOMQL-VXGBXAGGSA-N 1 0 348.790 3.253 20 5 EGBDRO COC(=O)c1c(O[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)cccc1[N+](=O)[O-] ZINC001229049781 1375751175 /nfs/dbraw/zinc/75/11/75/1375751175.db2.gz LCPYPHIOQQUOOC-WDNDVIMCSA-N 1 0 348.399 3.164 20 5 EGBDRO CC(C)[N@@H+]1CC[C@@H](Oc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC001229144590 1375774319 /nfs/dbraw/zinc/77/43/19/1375774319.db2.gz GKFNLOMRDPHWQX-GFCCVEGCSA-N 1 0 329.194 3.219 20 5 EGBDRO CC[NH+](CC)C[C@@H](C)Oc1ncc(Br)c(C)c1[N+](=O)[O-] ZINC001230035775 1375934057 /nfs/dbraw/zinc/93/40/57/1375934057.db2.gz WAIQWUYZHLAOGE-SECBINFHSA-N 1 0 346.225 3.170 20 5 EGBDRO COCC[NH+]1CCC(Oc2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC001230765298 1376143072 /nfs/dbraw/zinc/14/30/72/1376143072.db2.gz ACXPSDXOADRXNT-UHFFFAOYSA-N 1 0 349.214 3.391 20 5 EGBDRO CC(C)CCC(=O)N1CC2(C1)CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001146980875 1378951591 /nfs/dbraw/zinc/95/15/91/1378951591.db2.gz NKCKOYKBKLJSQL-UHFFFAOYSA-N 1 0 345.443 3.065 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)c2ncnc(NCC[NH+]3CCCCC3)c2c1 ZINC001327957022 1388633511 /nfs/dbraw/zinc/63/35/11/1388633511.db2.gz LQPIZDDWBMTQHQ-UHFFFAOYSA-N 1 0 335.795 3.089 20 5 EGBDRO Cc1ccc2c(c1)[C@@H](Nc1cccc([N+](=O)[O-])n1)CC21CC[NH2+]CC1 ZINC001155430637 1380452042 /nfs/dbraw/zinc/45/20/42/1380452042.db2.gz JQRCMJOGMCXBDT-INIZCTEOSA-N 1 0 338.411 3.476 20 5 EGBDRO c1cnc2c(c1)ccc1ccc(NC[C@@H]3CO[C@@]4(C3)CCC[NH2+]C4)nc12 ZINC001155592903 1380470883 /nfs/dbraw/zinc/47/08/83/1380470883.db2.gz URMHUGPBAFKRPC-QVKFZJNVSA-N 1 0 348.450 3.354 20 5 EGBDRO O=[N+]([O-])c1ccc2ccnc(N3CC[NH2+]C[C@H]3c3cccs3)c2c1 ZINC001156110119 1380526408 /nfs/dbraw/zinc/52/64/08/1380526408.db2.gz ISCBXXUHQOVOFV-HNNXBMFYSA-N 1 0 340.408 3.355 20 5 EGBDRO CC(C(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1)=C1CCCC1 ZINC001156429958 1380575190 /nfs/dbraw/zinc/57/51/90/1380575190.db2.gz LZDRNZMQMWYGOR-UHFFFAOYSA-N 1 0 331.416 3.081 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)nc(-n2cncc2C[NH2+]Cc2ccccc2)c1 ZINC001156482671 1380582041 /nfs/dbraw/zinc/58/20/41/1380582041.db2.gz SCHYSQJPKFQDOH-UHFFFAOYSA-N 1 0 343.774 3.119 20 5 EGBDRO O=[N+]([O-])c1cc(F)cnc1NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC001156531113 1380589436 /nfs/dbraw/zinc/58/94/36/1380589436.db2.gz NFJCBZSFVSQLLT-MRXNPFEDSA-N 1 0 330.363 3.378 20 5 EGBDRO [NH3+]CCc1cn(-c2ccc3cccc([N+](=O)[O-])c3n2)c2ccc(O)cc12 ZINC001157218245 1380814415 /nfs/dbraw/zinc/81/44/15/1380814415.db2.gz MANQFMBYWZBPQJ-UHFFFAOYSA-N 1 0 348.362 3.294 20 5 EGBDRO C[N@@H+]1CCC[C@@H]2CN(c3nc4ccccc4c(Cl)c3[N+](=O)[O-])C[C@H]21 ZINC001157266790 1380828000 /nfs/dbraw/zinc/82/80/00/1380828000.db2.gz XFKWZEZIMRACAU-BXUZGUMPSA-N 1 0 346.818 3.327 20 5 EGBDRO C[N@@H+]1CCC[C@H]2CN(c3nc4ccccc4c(Cl)c3[N+](=O)[O-])C[C@H]21 ZINC001157266793 1380828023 /nfs/dbraw/zinc/82/80/23/1380828023.db2.gz XFKWZEZIMRACAU-SMDDNHRTSA-N 1 0 346.818 3.327 20 5 EGBDRO O=[N+]([O-])c1cnc(N2CC[NH2+][C@H](c3ccccc3)C2)c2ccccc21 ZINC001157759953 1381024807 /nfs/dbraw/zinc/02/48/07/1381024807.db2.gz ZCAYQYWPDFNYQD-KRWDZBQOSA-N 1 0 334.379 3.294 20 5 EGBDRO CCN(c1ccc([N+](=O)[O-])c(-c2ccccc2)n1)[C@H]1CCC[NH2+]C1 ZINC001158207422 1381158718 /nfs/dbraw/zinc/15/87/18/1381158718.db2.gz KWADLAPKMDTLFJ-HNNXBMFYSA-N 1 0 326.400 3.235 20 5 EGBDRO C[C@@]1(C[NH3+])CCCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)C1 ZINC001158685143 1381352612 /nfs/dbraw/zinc/35/26/12/1381352612.db2.gz WRJUGXRXUUNBJM-SFHVURJKSA-N 1 0 344.390 3.361 20 5 EGBDRO C[NH+](C)CCC(C)(C)Nc1cc2ncnc(Cl)c2cc1[N+](=O)[O-] ZINC001158756509 1381385078 /nfs/dbraw/zinc/38/50/78/1381385078.db2.gz AMEPYMGRDUAXBV-UHFFFAOYSA-N 1 0 337.811 3.334 20 5 EGBDRO C[NH+](C)CCC(C)(C)Nc1ccc(-c2ccc(F)c([N+](=O)[O-])c2)nn1 ZINC001158760037 1381387351 /nfs/dbraw/zinc/38/73/51/1381387351.db2.gz GMQINCWGSNGZIK-UHFFFAOYSA-N 1 0 347.394 3.333 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)c(Cl)nc1NCC12CC[NH+](CC1)CC2 ZINC001158823713 1381418295 /nfs/dbraw/zinc/41/82/95/1381418295.db2.gz DKJGEKCQEUDPBI-UHFFFAOYSA-N 1 0 331.203 3.194 20 5 EGBDRO Cc1cc(C)c(C(=O)NCCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)s1 ZINC001158945228 1381478563 /nfs/dbraw/zinc/47/85/63/1381478563.db2.gz LWEOMJFSBRNYKE-UHFFFAOYSA-N 1 0 347.440 3.183 20 5 EGBDRO O=[N+]([O-])c1ccc(F)c(Nc2cccc(N3CC[NH2+]CC3)c2)c1F ZINC001159857011 1381920976 /nfs/dbraw/zinc/92/09/76/1381920976.db2.gz ZAESPPQNRFMZMJ-UHFFFAOYSA-N 1 0 334.326 3.026 20 5 EGBDRO [NH3+][C@@H]1CCc2c3ccccc3n(-c3cc([N+](=O)[O-])cc(Cl)n3)c2C1 ZINC001159943326 1381943271 /nfs/dbraw/zinc/94/32/71/1381943271.db2.gz RYBGHPPVNKMTQU-SNVBAGLBSA-N 1 0 342.786 3.403 20 5 EGBDRO [NH3+][C@@H]1CCN(c2cccc(F)c2Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC001160064214 1381987181 /nfs/dbraw/zinc/98/71/81/1381987181.db2.gz HNVWORHGFHJJQL-SNVBAGLBSA-N 1 0 334.326 3.154 20 5 EGBDRO Cc1ccc(Nc2c(F)cccc2N2CC[C@@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC001160070400 1381989190 /nfs/dbraw/zinc/98/91/90/1381989190.db2.gz CARABVMPECOVFA-GFCCVEGCSA-N 1 0 330.363 3.323 20 5 EGBDRO O=[N+]([O-])c1cc(F)cc(Nc2cc(F)ccc2O[C@@H]2CC[NH2+]C2)c1 ZINC001160141828 1382014056 /nfs/dbraw/zinc/01/40/56/1382014056.db2.gz OKDBPQXJGVZUCM-CQSZACIVSA-N 1 0 335.310 3.357 20 5 EGBDRO O=[N+]([O-])c1cc(O)cc(Nc2c(F)cccc2OC2CC[NH2+]CC2)c1 ZINC001160149602 1382016697 /nfs/dbraw/zinc/01/66/97/1382016697.db2.gz RJQVKNSZITWLBG-UHFFFAOYSA-N 1 0 347.346 3.314 20 5 EGBDRO O=[N+]([O-])c1cc(-c2ccc(NC[C@H]3CCCC[NH2+]3)nn2)ccc1Cl ZINC001160151688 1382017010 /nfs/dbraw/zinc/01/70/10/1382017010.db2.gz WZIJPVIARCTTFC-GFCCVEGCSA-N 1 0 347.806 3.259 20 5 EGBDRO [NH3+]Cc1ccc(Nc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)cn1 ZINC001160406914 1382096595 /nfs/dbraw/zinc/09/65/95/1382096595.db2.gz YRGRDESSPFMERI-UHFFFAOYSA-N 1 0 339.330 3.393 20 5 EGBDRO CN(Cc1c2ccccc2cc2ccccc21)C(=O)[C@@H]1CC[C@@H]([NH3+])CO1 ZINC001160738687 1382182879 /nfs/dbraw/zinc/18/28/79/1382182879.db2.gz PNDCAXKTTSCIIZ-UTKZUKDTSA-N 1 0 348.446 3.458 20 5 EGBDRO COc1cccc2c1c(C[NH3+])cn2-c1nc(Cl)cc(C)c1[N+](=O)[O-] ZINC001160763531 1382189040 /nfs/dbraw/zinc/18/90/40/1382189040.db2.gz DSVSOUAJJLIBQV-UHFFFAOYSA-N 1 0 346.774 3.363 20 5 EGBDRO Cc1cncc([N+](=O)[O-])c1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC001328522855 1388769768 /nfs/dbraw/zinc/76/97/68/1388769768.db2.gz LAWQNSWDRLDUJK-INIZCTEOSA-N 1 0 332.448 3.247 20 5 EGBDRO COCCC1([NH3+])CCN(c2ccc3ccc4cccnc4c3n2)CC1 ZINC001162042244 1382611716 /nfs/dbraw/zinc/61/17/16/1382611716.db2.gz ZYBYTAGPSYMLJT-UHFFFAOYSA-N 1 0 336.439 3.117 20 5 EGBDRO Cc1ccc2c(ccnc2NC[C@H]2CCC[NH2+]C[C@H]2C)c1[N+](=O)[O-] ZINC001162452130 1382760469 /nfs/dbraw/zinc/76/04/69/1382760469.db2.gz BDZOXTBFNYOWAG-ZIAGYGMSSA-N 1 0 328.416 3.499 20 5 EGBDRO O=[N+]([O-])c1cnc(NCC[C@H]2CCNCC2(F)F)c2ccccc21 ZINC001162809999 1382880612 /nfs/dbraw/zinc/88/06/12/1382880612.db2.gz HGQAQUWIXOCXSV-LLVKDONJSA-N 1 0 336.342 3.190 20 5 EGBDRO CCOC(=O)c1cccc([N+](=O)[O-])c1N[C@H]1C[NH2+]Cc2ccsc21 ZINC001163227976 1382999423 /nfs/dbraw/zinc/99/94/23/1382999423.db2.gz GCRUJFJTDPCREQ-LBPRGKRZSA-N 1 0 347.396 3.089 20 5 EGBDRO C[NH+](C)CC1CCC(Nc2ncnc3cc([N+](=O)[O-])ccc32)CC1 ZINC001163299440 1383015891 /nfs/dbraw/zinc/01/58/91/1383015891.db2.gz XGSXEIRWSKOJOR-UHFFFAOYSA-N 1 0 329.404 3.070 20 5 EGBDRO COc1cccc([C@H](C[NH3+])Nc2ccc3ccc([N+](=O)[O-])cc3n2)c1 ZINC001163306112 1383017195 /nfs/dbraw/zinc/01/71/95/1383017195.db2.gz LJULVOPQBWVLTJ-KRWDZBQOSA-N 1 0 338.367 3.264 20 5 EGBDRO CC(C)[N@@H+]1CC[C@@H](Nc2cc(/C=C/N(C)C)c([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC001163367475 1383033378 /nfs/dbraw/zinc/03/33/78/1383033378.db2.gz ZIGAZBCHRLKWDG-AFDQWNBZSA-N 1 0 347.463 3.053 20 5 EGBDRO O=C(CC1CCC1)NCCC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001163957767 1383139817 /nfs/dbraw/zinc/13/98/17/1383139817.db2.gz AOUPXTFOOJCLRQ-UHFFFAOYSA-N 1 0 345.443 3.161 20 5 EGBDRO COc1c(F)cc(NCc2cccc(C[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC001163994823 1383144197 /nfs/dbraw/zinc/14/41/97/1383144197.db2.gz QLZYJECSDQLBOR-UHFFFAOYSA-N 1 0 333.363 3.416 20 5 EGBDRO CCCSc1nc(Cl)c([N+](=O)[O-])c(N(CCC[NH3+])C(C)C)n1 ZINC001164122986 1383158362 /nfs/dbraw/zinc/15/83/62/1383158362.db2.gz UEKRHJQIGRAOKW-UHFFFAOYSA-N 1 0 347.872 3.104 20 5 EGBDRO CC/C(C)=C/C(=O)NCCC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001164447471 1383187504 /nfs/dbraw/zinc/18/75/04/1383187504.db2.gz LUYGNXBDKMGOEM-NTCAYCPXSA-N 1 0 345.443 3.327 20 5 EGBDRO O=[N+]([O-])c1ccc2c(ccnc2N2CC[NH2+][C@@H](Cc3ccccc3)C2)c1 ZINC001164626825 1383210972 /nfs/dbraw/zinc/21/09/72/1383210972.db2.gz OOMQENQGWYDRSR-KRWDZBQOSA-N 1 0 348.406 3.164 20 5 EGBDRO CC[NH+]1CCC(N(C)c2cc(C)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC001165068971 1383221784 /nfs/dbraw/zinc/22/17/84/1383221784.db2.gz ZWSPXXVGAYGOCT-UHFFFAOYSA-N 1 0 328.416 3.372 20 5 EGBDRO Cc1cc([N+](=O)[O-])cnc1N1C[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC001165083494 1383224416 /nfs/dbraw/zinc/22/44/16/1383224416.db2.gz GNPFVJVNFHMYCK-AEFFLSMTSA-N 1 0 338.411 3.009 20 5 EGBDRO C[N@@H+]1CCC[C@H](CCNc2nc(C3CC3)nc(Cl)c2[N+](=O)[O-])C1 ZINC001165259863 1383260081 /nfs/dbraw/zinc/26/00/81/1383260081.db2.gz AUQWWXGAGREHMR-SNVBAGLBSA-N 1 0 339.827 3.059 20 5 EGBDRO Cc1cc(Br)ccc1C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168984992 1384079114 /nfs/dbraw/zinc/07/91/14/1384079114.db2.gz RNNGDFZBQBEXOP-FZMZJTMJSA-N 1 0 327.222 3.293 20 5 EGBDRO Cc1cc(Br)ccc1C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168984994 1384079535 /nfs/dbraw/zinc/07/95/35/1384079535.db2.gz RNNGDFZBQBEXOP-SMDDNHRTSA-N 1 0 327.222 3.293 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C3(C(F)(F)F)N=N3)cc2)C1 ZINC001168985662 1384079586 /nfs/dbraw/zinc/07/95/86/1384079586.db2.gz UTIRYCXRHMHEPE-DGCLKSJQSA-N 1 0 342.321 3.403 20 5 EGBDRO Cc1ccc(CN2CCC([NH2+][C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)c(F)c1 ZINC001168990367 1384079881 /nfs/dbraw/zinc/07/98/81/1384079881.db2.gz CAVFXTPSPYOYCT-QAPCUYQASA-N 1 0 349.450 3.134 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CCc2cc(C(F)(F)F)ccc2F)C1 ZINC001168988178 1384080106 /nfs/dbraw/zinc/08/01/06/1384080106.db2.gz OTBVAMQDACMLSD-GWCFXTLKSA-N 1 0 334.313 3.422 20 5 EGBDRO COc1cccc(CC2CC[NH+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)c1 ZINC001169037141 1384096909 /nfs/dbraw/zinc/09/69/09/1384096909.db2.gz JCXDLGBLYKXKNN-QZTJIDSGSA-N 1 0 332.444 3.395 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCC3(CCc4ccccc4O3)CC2)C1 ZINC001169038821 1384098414 /nfs/dbraw/zinc/09/84/14/1384098414.db2.gz KQGIRJQSIPLTQK-WBVHZDCISA-N 1 0 330.428 3.292 20 5 EGBDRO CN(Cc1cccc(F)c1)C1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169046376 1384100364 /nfs/dbraw/zinc/10/03/64/1384100364.db2.gz LNHRGAQQGKTICD-QFBILLFUSA-N 1 0 349.450 3.167 20 5 EGBDRO CCOC(=O)CCC[N@H+](Cc1ccccc1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169050604 1384100764 /nfs/dbraw/zinc/10/07/64/1384100764.db2.gz BXKNGNVVWDVBAB-QZTJIDSGSA-N 1 0 348.443 3.277 20 5 EGBDRO C[N@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001169053604 1384101062 /nfs/dbraw/zinc/10/10/62/1384101062.db2.gz JEEXMQAUUPDQNI-QRVBRYPASA-N 1 0 331.460 3.028 20 5 EGBDRO COc1nc(C)c(N[C@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)cc1[N+](=O)[O-] ZINC001169143512 1384113403 /nfs/dbraw/zinc/11/34/03/1384113403.db2.gz KGHHWTDAEJVBFX-SJCJKPOMSA-N 1 0 336.436 3.262 20 5 EGBDRO COC(=O)c1cc(N[C@@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)cc([N+](=O)[O-])c1 ZINC001169153434 1384116315 /nfs/dbraw/zinc/11/63/15/1384116315.db2.gz SSSOTGYGKVRGDP-RDTXWAMCSA-N 1 0 349.431 3.337 20 5 EGBDRO Cc1ccc(CNc2ncnc(C3C[NH2+]C3)c2[N+](=O)[O-])c2ccccc12 ZINC001169412955 1384145689 /nfs/dbraw/zinc/14/56/89/1384145689.db2.gz AXTCSSQULAOIJG-UHFFFAOYSA-N 1 0 349.394 3.145 20 5 EGBDRO COc1cc(N2CCC[C@@H]([NH3+])c3cc(C)ccc32)cnc1[N+](=O)[O-] ZINC001169692454 1384174610 /nfs/dbraw/zinc/17/46/10/1384174610.db2.gz TWLIRQQWKBXPSW-CQSZACIVSA-N 1 0 328.372 3.239 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+]Cc2ccc(Cl)cn2)c([N+](=O)[O-])c1 ZINC001170307814 1384286921 /nfs/dbraw/zinc/28/69/21/1384286921.db2.gz IDBPFXVSLZLCKA-NSHDSACASA-N 1 0 335.791 3.373 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+][C@H](C)CN2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC001170306400 1384287361 /nfs/dbraw/zinc/28/73/61/1384287361.db2.gz UOILWNUKQGQDNJ-HZPDHXFCSA-N 1 0 349.475 3.244 20 5 EGBDRO COc1ccc(C[C@H](C)[N@@H+]2CC[C@H]3OCCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC001170327760 1384291918 /nfs/dbraw/zinc/29/19/18/1384291918.db2.gz HQVYQIHDIYEHLH-DHSIGJKJSA-N 1 0 334.416 3.035 20 5 EGBDRO CC[N@H+](Cc1ccncc1)[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170330091 1384293003 /nfs/dbraw/zinc/29/30/03/1384293003.db2.gz YKKJFDXQVRWQPR-CQSZACIVSA-N 1 0 329.400 3.452 20 5 EGBDRO COc1ccc(C[C@H](C)[N@@H+]2CCC[C@]3(CCOC3)C2)c([N+](=O)[O-])c1 ZINC001170334107 1384293572 /nfs/dbraw/zinc/29/35/72/1384293572.db2.gz BNROUPQDEFYJJM-KSSFIOAISA-N 1 0 334.416 3.037 20 5 EGBDRO COc1ccc(C[C@@H](C)[N@@H+]2CC[C@H](c3cccnc3)C2)c([N+](=O)[O-])c1 ZINC001170348577 1384297409 /nfs/dbraw/zinc/29/74/09/1384297409.db2.gz YTQYDVMVDHQCFI-PBHICJAKSA-N 1 0 341.411 3.419 20 5 EGBDRO COc1ccc(C[C@H](C)[NH+]2CC(c3cccnc3)C2)c([N+](=O)[O-])c1 ZINC001170350818 1384298375 /nfs/dbraw/zinc/29/83/75/1384298375.db2.gz CHISRAYOJWZEKJ-ZDUSSCGKSA-N 1 0 327.384 3.029 20 5 EGBDRO C[C@H](Nc1nc2c(ccc3ccccc32)nc1Cl)[C@H]1C[NH2+]CCO1 ZINC001170568450 1384343994 /nfs/dbraw/zinc/34/39/94/1384343994.db2.gz HYYQKTBXKMWUEI-XHDPSFHLSA-N 1 0 342.830 3.225 20 5 EGBDRO [NH3+][C@H]1CCc2c3ccccc3n(-c3cnc(Cl)cc3[N+](=O)[O-])c2C1 ZINC001171096922 1384445179 /nfs/dbraw/zinc/44/51/79/1384445179.db2.gz SXWYEWOMLLGKDB-JTQLQIEISA-N 1 0 342.786 3.403 20 5 EGBDRO CC(C)(C)c1cnc(N2c3ccccc3OC[C@@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC001171389104 1384509909 /nfs/dbraw/zinc/50/99/09/1384509909.db2.gz HGNAVAMFGGPTPS-ZDUSSCGKSA-N 1 0 342.399 3.145 20 5 EGBDRO CC(C)c1nc(CC[NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)no1 ZINC001172896781 1384873772 /nfs/dbraw/zinc/87/37/72/1384873772.db2.gz RTCFLJYGQFTGOU-HNNXBMFYSA-N 1 0 344.415 3.181 20 5 EGBDRO COc1cncc(C[NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)c1 ZINC001172899494 1384874158 /nfs/dbraw/zinc/87/41/58/1384874158.db2.gz CCGRKLXKNBOTJH-MRXNPFEDSA-N 1 0 327.384 3.036 20 5 EGBDRO COC(=O)[C@@H]1CC[C@@H](C)[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172903736 1384875131 /nfs/dbraw/zinc/87/51/31/1384875131.db2.gz IYYBRXFUCPJJEV-XYPHTWIQSA-N 1 0 346.427 3.116 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]Cc1cn(CC3CC3)cn1)CC2 ZINC001172902584 1384875220 /nfs/dbraw/zinc/87/52/20/1384875220.db2.gz AFWATJHUKCHXLF-QGZVFWFLSA-N 1 0 340.427 3.239 20 5 EGBDRO O=C(C[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1ccc(O)cc1 ZINC001172904842 1384875352 /nfs/dbraw/zinc/87/53/52/1384875352.db2.gz GLGXCBDJCBRPTC-INIZCTEOSA-N 1 0 340.379 3.020 20 5 EGBDRO [NH3+]CCc1cccc(N[C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)c1 ZINC001172905544 1384875466 /nfs/dbraw/zinc/87/54/66/1384875466.db2.gz RYONSJICISEWET-QGZVFWFLSA-N 1 0 325.412 3.456 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]Cc1ncn3ccccc13)CC2 ZINC001172905062 1384875529 /nfs/dbraw/zinc/87/55/29/1384875529.db2.gz PWSREHMFKYCCMA-INIZCTEOSA-N 1 0 336.395 3.280 20 5 EGBDRO COc1cccnc1C[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172912768 1384876599 /nfs/dbraw/zinc/87/65/99/1384876599.db2.gz PUBXRIQDQFSTOL-OAHLLOKOSA-N 1 0 327.384 3.036 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@H](CO)C1CCCCC1)CC2 ZINC001172913564 1384877216 /nfs/dbraw/zinc/87/72/16/1384877216.db2.gz XDPOOKQIZCSBRI-PKOBYXMFSA-N 1 0 332.444 3.373 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH+]1CCC3(CCCO3)CC1)CC2 ZINC001172916112 1384877753 /nfs/dbraw/zinc/87/77/53/1384877753.db2.gz QXJXDRNJHWFWNN-KRWDZBQOSA-N 1 0 330.428 3.487 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH+]1CCC3(CCCO3)CC1)CC2 ZINC001172916113 1384877843 /nfs/dbraw/zinc/87/78/43/1384877843.db2.gz QXJXDRNJHWFWNN-QGZVFWFLSA-N 1 0 330.428 3.487 20 5 EGBDRO CCC[N@H+](CC(=O)OCC)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172918664 1384878669 /nfs/dbraw/zinc/87/86/69/1384878669.db2.gz CBAFCAFGQLLDCQ-INIZCTEOSA-N 1 0 334.416 3.117 20 5 EGBDRO Cc1noc([C@@H]2CC[N@@H+]([C@@H]3CCc4ccc([N+](=O)[O-])cc4CC3)C2)n1 ZINC001172919633 1384879321 /nfs/dbraw/zinc/87/93/21/1384879321.db2.gz GXKCCCOJCIXSGY-HZPDHXFCSA-N 1 0 342.399 3.023 20 5 EGBDRO CC1(C)C[C@H]1[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173006857 1384897725 /nfs/dbraw/zinc/89/77/25/1384897725.db2.gz ANAQAAZWFLFRJT-CQSZACIVSA-N 1 0 325.359 3.230 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CCCOC(C)(C)C)c1F ZINC001173182076 1384932363 /nfs/dbraw/zinc/93/23/63/1384932363.db2.gz ZGLHWDZUKPMSGO-LBPRGKRZSA-N 1 0 342.411 3.468 20 5 EGBDRO CCCO[C@H]1CC[N@@H+]([C@@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C1 ZINC001173190943 1384934027 /nfs/dbraw/zinc/93/40/27/1384934027.db2.gz XVVSPMOZQQNYIJ-STQMWFEESA-N 1 0 340.395 3.174 20 5 EGBDRO Cc1c(F)cccc1[C@@H](CO)[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173221501 1384938499 /nfs/dbraw/zinc/93/84/99/1384938499.db2.gz NNOJMVBZSMTOLJ-KPZWWZAWSA-N 1 0 332.375 3.297 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@](O)(C(F)(F)F)[C@H](C)C1 ZINC001173223047 1384938886 /nfs/dbraw/zinc/93/88/86/1384938886.db2.gz WWHODNKFHFHYGS-JMSVASOKSA-N 1 0 346.349 3.161 20 5 EGBDRO Cc1nc([C@@H]2CCC[N@@H+]([C@@H](C)Cc3ccc([N+](=O)[O-])cc3)C2)no1 ZINC001173223133 1384938934 /nfs/dbraw/zinc/93/89/34/1384938934.db2.gz YJMYWYAANNVIQY-SWLSCSKDSA-N 1 0 330.388 3.097 20 5 EGBDRO COc1cccc(C2([NH2+][C@@H](C)Cc3ccc([N+](=O)[O-])cc3)COC2)c1 ZINC001173222310 1384939021 /nfs/dbraw/zinc/93/90/21/1384939021.db2.gz WDWQYBMQKQBMAI-AWEZNQCLSA-N 1 0 342.395 3.050 20 5 EGBDRO CC(C)CC(=O)NC1CC[NH+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173225004 1384939073 /nfs/dbraw/zinc/93/90/73/1384939073.db2.gz ANADUIJJTCGURC-OAHLLOKOSA-N 1 0 347.459 3.153 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001173222441 1384939253 /nfs/dbraw/zinc/93/92/53/1384939253.db2.gz RRGRCGCHSXPKOP-QGZVFWFLSA-N 1 0 339.439 3.344 20 5 EGBDRO CCOC(=O)C1(C)CC[NH+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173227046 1384940212 /nfs/dbraw/zinc/94/02/12/1384940212.db2.gz MNJQNZLFZHHRSO-CQSZACIVSA-N 1 0 334.416 3.191 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC1(C(=O)OC(C)(C)C)CC1 ZINC001173229285 1384940656 /nfs/dbraw/zinc/94/06/56/1384940656.db2.gz SFQVXDKNODEXSE-ZDUSSCGKSA-N 1 0 334.416 3.237 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC001173234246 1384942006 /nfs/dbraw/zinc/94/20/06/1384942006.db2.gz QLNSVCQMVVXSBN-CYBMUJFWSA-N 1 0 349.431 3.077 20 5 EGBDRO C[NH+]1CCC(Oc2ccc(Nc3ccc([N+](=O)[O-])cc3)nc2)CC1 ZINC001174477950 1385112669 /nfs/dbraw/zinc/11/26/69/1385112669.db2.gz FBVZQMKWPDLEJS-UHFFFAOYSA-N 1 0 328.372 3.206 20 5 EGBDRO Cc1nccn1-c1cc[nH+]cc1NC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC001318603065 1385788305 /nfs/dbraw/zinc/78/83/05/1385788305.db2.gz CCOFSAILBSXNEM-UHFFFAOYSA-N 1 0 337.339 3.045 20 5 EGBDRO CC1(C)C(C)(C)C1(C)C(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001177540727 1385990222 /nfs/dbraw/zinc/99/02/22/1385990222.db2.gz VMDSMJIWNWMWEL-UHFFFAOYSA-N 1 0 347.459 3.263 20 5 EGBDRO O=C(NCCCCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cc[nH]c1 ZINC001178552252 1386246538 /nfs/dbraw/zinc/24/65/38/1386246538.db2.gz XGEAYEKUUWGXAH-UHFFFAOYSA-N 1 0 344.415 3.003 20 5 EGBDRO CS[C@H]1CC[C@@H]([N@H+](C)Cn2nc(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC001319788288 1386296386 /nfs/dbraw/zinc/29/63/86/1386296386.db2.gz XOFUNMOAJPJZPG-OCCSQVGLSA-N 1 0 334.445 3.426 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(CN2C[C@H]3C[NH2+]C[C@@H]3C2)o1 ZINC001319841507 1386329581 /nfs/dbraw/zinc/32/95/81/1386329581.db2.gz JACQXDRSFNUDMZ-VXGBXAGGSA-N 1 0 347.802 3.159 20 5 EGBDRO CCC[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC001319851417 1386334600 /nfs/dbraw/zinc/33/46/00/1386334600.db2.gz LMNCZUYNGRXCNL-XDNAFOTISA-N 1 0 348.443 3.154 20 5 EGBDRO C[N@@H+](Cc1cc2ccccc2[nH]1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001319965517 1386423107 /nfs/dbraw/zinc/42/31/07/1386423107.db2.gz NYTWWGBHZBARHY-GOSISDBHSA-N 1 0 325.368 3.242 20 5 EGBDRO O=C(CCCF)NCCCCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001179270725 1386435886 /nfs/dbraw/zinc/43/58/86/1386435886.db2.gz XQSHQKGTAHPTFS-UHFFFAOYSA-N 1 0 339.411 3.111 20 5 EGBDRO Cc1cc(COC(=O)c2ccc3c[nH+]cn3c2C)ccc1[N+](=O)[O-] ZINC001320030409 1386463613 /nfs/dbraw/zinc/46/36/13/1386463613.db2.gz IAYPGOVMDJZCEF-UHFFFAOYSA-N 1 0 325.324 3.216 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2nc([C@@H]3C[NH+]4CCC3CC4)no2)c(Cl)c1 ZINC001320326236 1386576162 /nfs/dbraw/zinc/57/61/62/1386576162.db2.gz FMUXHWUVXWLLMS-GFCCVEGCSA-N 1 0 334.763 3.107 20 5 EGBDRO C[NH+](C)CC1CCN(c2cccc(C(F)(F)F)c2[N+](=O)[O-])CC1 ZINC001331074111 1389620889 /nfs/dbraw/zinc/62/08/89/1389620889.db2.gz HYINORXCYAKCJP-UHFFFAOYSA-N 1 0 331.338 3.392 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)c1C ZINC001332393660 1390104333 /nfs/dbraw/zinc/10/43/33/1390104333.db2.gz NKJBJPLNBZEXND-MRXNPFEDSA-N 1 0 345.443 3.160 20 5 EGBDRO Cc1cncc([N+](=O)[O-])c1NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC001341817264 1390533409 /nfs/dbraw/zinc/53/34/09/1390533409.db2.gz XXJHVPIQFGTZND-UHFFFAOYSA-N 1 0 332.448 3.175 20 5 EGBDRO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Br)[C@@H]1CCCOC1 ZINC001334772343 1390585446 /nfs/dbraw/zinc/58/54/46/1390585446.db2.gz NEGWDMRWZQLVGQ-WDEREUQCSA-N 1 0 343.221 3.262 20 5 EGBDRO CC(C)[NH2+]C1CCN(c2ncnc3c(Cl)cc([N+](=O)[O-])cc32)CC1 ZINC001343095154 1390691167 /nfs/dbraw/zinc/69/11/67/1390691167.db2.gz FWYYQHGLTYNTSI-UHFFFAOYSA-N 1 0 349.822 3.158 20 5 EGBDRO Cc1cc(NC(=O)N2CCC(CCC[NH+](C)C)CC2)cc([N+](=O)[O-])c1 ZINC001345489441 1390862236 /nfs/dbraw/zinc/86/22/36/1390862236.db2.gz RJGCEXCOBLYMMR-UHFFFAOYSA-N 1 0 348.447 3.489 20 5 EGBDRO CC(C)[C@@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)Nc1ccccc1 ZINC001346181878 1390913426 /nfs/dbraw/zinc/91/34/26/1390913426.db2.gz SNVVCKYQRLVJQJ-RTBURBONSA-N 1 0 343.427 3.355 20 5 EGBDRO CC(C)C(C)(C)C(=O)NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001754515029 1440618330 /nfs/dbraw/zinc/61/83/30/1440618330.db2.gz NKFZULWZYTWVDH-UHFFFAOYSA-N 1 0 333.432 3.015 20 5 EGBDRO CC(C)(C)/C=C\C(=O)NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCC1 ZINC001754978542 1440720715 /nfs/dbraw/zinc/72/07/15/1440720715.db2.gz KCIQPSCIKCIVIN-FLIBITNWSA-N 1 0 345.443 3.326 20 5 EGBDRO CC/C(C)=C/C(=O)N(C)CCC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001755036259 1440734597 /nfs/dbraw/zinc/73/45/97/1440734597.db2.gz RBIONYOLAPLRNC-FYWRMAATSA-N 1 0 333.432 3.231 20 5 EGBDRO CCC(C)(C)C(=O)N[C@H]1C[C@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001755477330 1440859623 /nfs/dbraw/zinc/85/96/23/1440859623.db2.gz QLLZQJKQJZBOIQ-AULYBMBSSA-N 1 0 339.461 3.077 20 5 EGBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000485417188 719254788 /nfs/dbraw/zinc/25/47/88/719254788.db2.gz PRXNVKDCVUUWLO-STQMWFEESA-N 1 0 344.390 3.325 20 5 EGBDRO CC(C)C[NH+]1CCN(c2nc(Cl)c(Cl)cc2[N+](=O)[O-])CC1 ZINC001164652502 719331374 /nfs/dbraw/zinc/33/13/74/719331374.db2.gz MKOIDHLGHIHRKM-UHFFFAOYSA-N 1 0 333.219 3.075 20 5 EGBDRO O=[N+]([O-])c1cc2ccccc2nc1N1CC[NH+](C2CCCC2)CC1 ZINC000473517758 721858142 /nfs/dbraw/zinc/85/81/42/721858142.db2.gz JZBLEUGMDKCKEQ-UHFFFAOYSA-N 1 0 326.400 3.208 20 5 EGBDRO CN(CC1CC[NH+](C)CC1)c1nc(Cl)c(Cl)cc1[N+](=O)[O-] ZINC001165041349 721932549 /nfs/dbraw/zinc/93/25/49/721932549.db2.gz RFFIHFXEUCPVGM-UHFFFAOYSA-N 1 0 333.219 3.075 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCCC[C@@H]2CC[NH+]2CCCC2)n1 ZINC001165048921 721971890 /nfs/dbraw/zinc/97/18/90/721971890.db2.gz POJXQCDJWZXELS-MRXNPFEDSA-N 1 0 332.448 3.451 20 5 EGBDRO CC[C@H]([NH2+][C@@H]1CCN(c2ccccn2)C1)c1cccc([N+](=O)[O-])c1 ZINC000181703663 529658859 /nfs/dbraw/zinc/65/88/59/529658859.db2.gz UBEQYVLYEXONLP-WBVHZDCISA-N 1 0 326.400 3.309 20 5 EGBDRO Cc1nccn1C[C@@H](C)C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000178696281 232385780 /nfs/dbraw/zinc/38/57/80/232385780.db2.gz SFXUOVJFCZTSGK-KSSFIOAISA-N 1 0 342.443 3.347 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)N2CCCCCC2)cc1[N+](=O)[O-] ZINC000178687926 232379032 /nfs/dbraw/zinc/37/90/32/232379032.db2.gz BWSIZPHDUBTRTR-CABCVRRESA-N 1 0 333.432 3.345 20 5 EGBDRO Cc1c(NC(=O)CC[NH2+][C@H](C)c2cccc(O)c2)cccc1[N+](=O)[O-] ZINC000181558268 234231228 /nfs/dbraw/zinc/23/12/28/234231228.db2.gz VJRFNBPTTOKTJD-CYBMUJFWSA-N 1 0 343.383 3.288 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)N[C@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000181831838 234342183 /nfs/dbraw/zinc/34/21/83/234342183.db2.gz ZEYJJZAZZFHJAK-LSDHHAIUSA-N 1 0 341.411 3.431 20 5 EGBDRO Cc1ccc([C@@H](C)NC(=O)CC2(C[NH3+])CCCCC2)cc1[N+](=O)[O-] ZINC000184217778 235336468 /nfs/dbraw/zinc/33/64/68/235336468.db2.gz CQHHARZVGKWEEE-CQSZACIVSA-N 1 0 333.432 3.380 20 5 EGBDRO O=[N+]([O-])c1ccccc1CNC1CC[NH+](CCc2ccccc2)CC1 ZINC000067803662 202337441 /nfs/dbraw/zinc/33/74/41/202337441.db2.gz VZZAEGWZBDPIGO-UHFFFAOYSA-N 1 0 339.439 3.392 20 5 EGBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000072086683 201174326 /nfs/dbraw/zinc/17/43/26/201174326.db2.gz UOQZJXFEBBJOSK-MRXNPFEDSA-N 1 0 339.395 3.446 20 5 EGBDRO CC(C)[NH+]1CCC(N(C)C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000267325698 201223780 /nfs/dbraw/zinc/22/37/80/201223780.db2.gz DUFPJFNVCLKSNH-UHFFFAOYSA-N 1 0 339.823 3.193 20 5 EGBDRO C[C@@H](O)C[C@@H]1CCCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000286136113 201333315 /nfs/dbraw/zinc/33/33/15/201333315.db2.gz VIZRKQZQNWHUFP-OCCSQVGLSA-N 1 0 337.376 3.019 20 5 EGBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1ncccc1[N+](=O)[O-] ZINC000301604283 201358412 /nfs/dbraw/zinc/35/84/12/201358412.db2.gz XOUHDLMOIPIVQR-HOCLYGCPSA-N 1 0 326.400 3.312 20 5 EGBDRO Cc1cc(NC(=O)NC2CC[NH+](CC(C)C)CC2)ccc1[N+](=O)[O-] ZINC000193624331 240239406 /nfs/dbraw/zinc/23/94/06/240239406.db2.gz GXIIJSRLPFPHHA-UHFFFAOYSA-N 1 0 334.420 3.145 20 5 EGBDRO CC(C)(C)[C@H](CCO)[NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000231073668 242265855 /nfs/dbraw/zinc/26/58/55/242265855.db2.gz SZFLFHUEFIUAKC-ZDUSSCGKSA-N 1 0 345.237 3.244 20 5 EGBDRO CO[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000072925182 203251445 /nfs/dbraw/zinc/25/14/45/203251445.db2.gz UFBRNRQXOPHUSC-INIZCTEOSA-N 1 0 346.431 3.146 20 5 EGBDRO Cc1ccc([C@H]([NH3+])C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000262649041 245094961 /nfs/dbraw/zinc/09/49/61/245094961.db2.gz KSYZATXCPLAIRB-DYVFJYSZSA-N 1 0 327.384 3.089 20 5 EGBDRO Cc1ccc([C@H]([NH3+])C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000262649042 245095439 /nfs/dbraw/zinc/09/54/39/245095439.db2.gz KSYZATXCPLAIRB-GUYCJALGSA-N 1 0 327.384 3.089 20 5 EGBDRO CCn1cnnc1CNCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000102422709 204037264 /nfs/dbraw/zinc/03/72/64/204037264.db2.gz PUZBKPPQCNNUKF-UHFFFAOYSA-N 1 0 343.412 3.225 20 5 EGBDRO CN(CC1CC[NH+](C)CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000103503733 204081563 /nfs/dbraw/zinc/08/15/63/204081563.db2.gz ZMDDFBDRTDZRPK-UHFFFAOYSA-N 1 0 340.811 3.054 20 5 EGBDRO CC[NH+]1CCC(N(C)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000042690720 204125952 /nfs/dbraw/zinc/12/59/52/204125952.db2.gz HBOBRBNWSOXFBA-UHFFFAOYSA-N 1 0 342.237 3.278 20 5 EGBDRO CCCO[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000108391426 204260961 /nfs/dbraw/zinc/26/09/61/204260961.db2.gz JIWBLUWDFNPOLC-WMLDXEAASA-N 1 0 349.431 3.203 20 5 EGBDRO C[C@H](Nc1ccc([N+](=O)[O-])cc1Br)[C@H]1CCC[NH2+]C1 ZINC000050164268 204530468 /nfs/dbraw/zinc/53/04/68/204530468.db2.gz UKCNIXFUAPQTQF-UWVGGRQHSA-N 1 0 328.210 3.157 20 5 EGBDRO C[C@](O)(C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000130337791 205236186 /nfs/dbraw/zinc/23/61/86/205236186.db2.gz QJCMFDAKWIDSPJ-OGWOLHLISA-N 1 0 344.411 3.396 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000133417033 205367191 /nfs/dbraw/zinc/36/71/91/205367191.db2.gz VXAKPHXMVCNBNG-UHFFFAOYSA-N 1 0 333.432 3.097 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1Cc2ccccc2C1 ZINC000155499048 206011456 /nfs/dbraw/zinc/01/14/56/206011456.db2.gz BEHRTNGOFWXMLD-UHFFFAOYSA-N 1 0 325.368 3.248 20 5 EGBDRO CCCC[N@H+](C)CC1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000264903694 247028872 /nfs/dbraw/zinc/02/88/72/247028872.db2.gz LXVUCMAROASAHU-UHFFFAOYSA-N 1 0 347.459 3.108 20 5 EGBDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000266079908 248082555 /nfs/dbraw/zinc/08/25/55/248082555.db2.gz DIAWUFHGUHCWSZ-CQSZACIVSA-N 1 0 344.415 3.023 20 5 EGBDRO C[C@@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CCOC1 ZINC000266158500 248137472 /nfs/dbraw/zinc/13/74/72/248137472.db2.gz MRDZAWHFSYGSTK-DGCLKSJQSA-N 1 0 333.413 3.233 20 5 EGBDRO CC(C)[C@@]1(CO)CC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000377655719 169055705 /nfs/dbraw/zinc/05/57/05/169055705.db2.gz QLFNUYWQOYCXQV-SFHVURJKSA-N 1 0 345.399 3.090 20 5 EGBDRO Cc1cc(C(=O)N(CC[NH+](C)C)Cc2cccs2)cc([N+](=O)[O-])c1 ZINC000175665159 207148202 /nfs/dbraw/zinc/14/82/02/207148202.db2.gz LVQKRLJZYSGYIW-UHFFFAOYSA-N 1 0 347.440 3.169 20 5 EGBDRO CCOC[C@H]1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000176319632 207215740 /nfs/dbraw/zinc/21/57/40/207215740.db2.gz NHHVIEDRYSSOMR-AWEZNQCLSA-N 1 0 345.399 3.151 20 5 EGBDRO C[C@@H]1C[C@H](NC(=O)c2csc([N+](=O)[O-])c2)C[N@@H+]1Cc1ccccc1 ZINC000177448127 207338423 /nfs/dbraw/zinc/33/84/23/207338423.db2.gz UEWMYFYZKVCROL-DOMZBBRYSA-N 1 0 345.424 3.049 20 5 EGBDRO Cc1nc(N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)ccc1[N+](=O)[O-] ZINC000268535326 252003985 /nfs/dbraw/zinc/00/39/85/252003985.db2.gz YDYQFLBMUITSES-ZBFHGGJFSA-N 1 0 332.448 3.389 20 5 EGBDRO CC(C)[NH+](CCCNC(=O)c1cccc(Cl)c1[N+](=O)[O-])C(C)C ZINC000177685955 207378058 /nfs/dbraw/zinc/37/80/58/207378058.db2.gz OKTHQFRCCOZMEI-UHFFFAOYSA-N 1 0 341.839 3.487 20 5 EGBDRO C[C@@H]([NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])C(=O)NC(C)(C)C ZINC000179138271 207579894 /nfs/dbraw/zinc/57/98/94/207579894.db2.gz XCSROSJUWCLQEC-FMKPAKJESA-N 1 0 347.459 3.199 20 5 EGBDRO O=[N+]([O-])c1c2cccnc2ccc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000264566774 285080590 /nfs/dbraw/zinc/08/05/90/285080590.db2.gz GRRSTGAYDUCZGP-CQSZACIVSA-N 1 0 326.400 3.208 20 5 EGBDRO O=[N+]([O-])c1c2cccnc2ccc1N1CCC([NH2+]CC2CC2)CC1 ZINC000261672622 285079236 /nfs/dbraw/zinc/07/92/36/285079236.db2.gz LWJHFRMAAZPJGV-UHFFFAOYSA-N 1 0 326.400 3.111 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1ccc(CN2CCC[C@]3(CC[NH2+]C3)C2)o1 ZINC000352539774 285159195 /nfs/dbraw/zinc/15/91/95/285159195.db2.gz CNOPZAUAGPYHRX-LJQANCHMSA-N 1 0 341.411 3.430 20 5 EGBDRO C[C@H](CC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]C1 ZINC000237619837 141010871 /nfs/dbraw/zinc/01/08/71/141010871.db2.gz HONZCEZAPQMPBJ-NVXWUHKLSA-N 1 0 347.459 3.060 20 5 EGBDRO C[C@H]1C[C@H](CCNc2c([N+](=O)[O-])ncn2C)C[N@@H+]1Cc1ccccc1 ZINC000338041871 141079278 /nfs/dbraw/zinc/07/92/78/141079278.db2.gz ANDRQHNIJCAJPL-HOCLYGCPSA-N 1 0 343.431 3.041 20 5 EGBDRO CC(C)C[C@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)[NH+](C)C ZINC000358028977 141379610 /nfs/dbraw/zinc/37/96/10/141379610.db2.gz QEEVXOMAKFFOJF-CQSZACIVSA-N 1 0 333.388 3.047 20 5 EGBDRO CO[C@@]1(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCOC1 ZINC000359626059 141389850 /nfs/dbraw/zinc/38/98/50/141389850.db2.gz UZFULOKJFKWKLG-QGZVFWFLSA-N 1 0 348.424 3.218 20 5 EGBDRO Cc1cnc(NCc2ccc(OCCC[NH+](C)C)cc2)c([N+](=O)[O-])c1 ZINC000172808045 144029239 /nfs/dbraw/zinc/02/92/39/144029239.db2.gz SYMDTCQIVNWIBL-UHFFFAOYSA-N 1 0 344.415 3.241 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000175111795 144058279 /nfs/dbraw/zinc/05/82/79/144058279.db2.gz CHQAZXVJTYGAGA-ZDUSSCGKSA-N 1 0 330.388 3.096 20 5 EGBDRO C[C@H](C(=O)N1CCCC[C@H]1c1ncc[nH]1)c1ccc([N+](=O)[O-])cc1F ZINC000185701080 144117840 /nfs/dbraw/zinc/11/78/40/144117840.db2.gz RQQFHBIVSKTIMD-NHYWBVRUSA-N 1 0 346.362 3.314 20 5 EGBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000192539317 144176406 /nfs/dbraw/zinc/17/64/06/144176406.db2.gz DUXYJGAUPYWADP-HNNXBMFYSA-N 1 0 331.420 3.143 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCc1c[nH]c2ncccc12 ZINC000344851425 144231071 /nfs/dbraw/zinc/23/10/71/144231071.db2.gz UQTFZEYVRTZOFV-UHFFFAOYSA-N 1 0 340.383 3.202 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCCC[NH+]1CCCCC1 ZINC000191378735 153191226 /nfs/dbraw/zinc/19/12/26/153191226.db2.gz DUNLGLVCVNUMHA-UHFFFAOYSA-N 1 0 334.420 3.209 20 5 EGBDRO C[C@H]([NH2+]CCc1ccc2c(c1)OCCO2)c1ccc([N+](=O)[O-])cc1 ZINC000193233545 153283100 /nfs/dbraw/zinc/28/31/00/153283100.db2.gz LDYOQIWFPDRTAN-ZDUSSCGKSA-N 1 0 328.368 3.259 20 5 EGBDRO C[C@@H]([NH2+][C@H](C)c1ccc2c(c1)NC(=O)CO2)c1cccc([N+](=O)[O-])c1 ZINC000193903174 153311511 /nfs/dbraw/zinc/31/15/11/153311511.db2.gz QTZYLOFMMMWRIY-VXGBXAGGSA-N 1 0 341.367 3.338 20 5 EGBDRO CC[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(C)cc1 ZINC000195180026 153386208 /nfs/dbraw/zinc/38/62/08/153386208.db2.gz IHGJLDUREURORR-MRXNPFEDSA-N 1 0 327.384 3.243 20 5 EGBDRO CC(C)(O)[C@H]1CCC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000305698323 154104578 /nfs/dbraw/zinc/10/45/78/154104578.db2.gz CMIIUTUJMDNNLS-MRXNPFEDSA-N 1 0 345.399 3.028 20 5 EGBDRO Cc1c(NC(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000337339994 154294180 /nfs/dbraw/zinc/29/41/80/154294180.db2.gz OZDQCAAREGXWOH-OLZOCXBDSA-N 1 0 334.420 3.288 20 5 EGBDRO CC(C)CCSc1ccc(C(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000339863456 155009629 /nfs/dbraw/zinc/00/96/29/155009629.db2.gz GLMSJTUKRYMZIZ-UHFFFAOYSA-N 1 0 339.461 3.024 20 5 EGBDRO CC[C@H]([NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C)C1CCOCC1 ZINC000343382825 155779751 /nfs/dbraw/zinc/77/97/51/155779751.db2.gz RWGPLLPXAFYYBU-HNNXBMFYSA-N 1 0 349.431 3.027 20 5 EGBDRO CC[NH+](CC)Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])n2C)c1 ZINC000345423905 156097605 /nfs/dbraw/zinc/09/76/05/156097605.db2.gz FQKRRDJJHYIXRN-UHFFFAOYSA-N 1 0 330.388 3.027 20 5 EGBDRO CCOc1ccc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])cc1F ZINC000348906104 156283495 /nfs/dbraw/zinc/28/34/95/156283495.db2.gz SYDPZAOEDZLPAN-UHFFFAOYSA-N 1 0 333.363 3.098 20 5 EGBDRO C[NH+](C)CCN(Cc1cccc([N+](=O)[O-])c1)Cc1ccc(F)cc1F ZINC000349033651 156324308 /nfs/dbraw/zinc/32/43/08/156324308.db2.gz AHEJTNAJYNPPAN-UHFFFAOYSA-N 1 0 349.381 3.437 20 5 EGBDRO Cc1ccc(CN(CC[NH+](C)C)Cc2ccc(C)c([N+](=O)[O-])c2)o1 ZINC000349036967 156327774 /nfs/dbraw/zinc/32/77/74/156327774.db2.gz QHPYTUDVNBFRLK-UHFFFAOYSA-N 1 0 331.416 3.368 20 5 EGBDRO COCC[N@H+](Cc1cc(OC)c(F)cc1[N+](=O)[O-])[C@H]1CC[C@@H](C)C1 ZINC000362159238 157051037 /nfs/dbraw/zinc/05/10/37/157051037.db2.gz VCABRODOZMHAHP-OCCSQVGLSA-N 1 0 340.395 3.380 20 5 EGBDRO CCO[C@@H]1C[C@H]([NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])[C@@]12CCCO2 ZINC000368707637 157270916 /nfs/dbraw/zinc/27/09/16/157270916.db2.gz NYZUMQYPYSJUTC-FDPIWHGQSA-N 1 0 348.443 3.232 20 5 EGBDRO CCOc1ccc([C@H](C)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000372449965 157333473 /nfs/dbraw/zinc/33/34/73/157333473.db2.gz OBAYXWJYPLNRFM-IMJJTQAJSA-N 1 0 333.432 3.271 20 5 EGBDRO CCOc1cc(C[NH+]2CCC([C@@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000372798218 157386492 /nfs/dbraw/zinc/38/64/92/157386492.db2.gz FKVFFVUQHPLKFB-MRXNPFEDSA-N 1 0 334.416 3.242 20 5 EGBDRO C[C@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC[C@@H]1C ZINC000093480770 162012682 /nfs/dbraw/zinc/01/26/82/162012682.db2.gz CRFLUSMCZBJGGT-KBPBESRZSA-N 1 0 328.416 3.473 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CC[C@@]4(CCOC4)C3)cs2)c1 ZINC000093819969 162029970 /nfs/dbraw/zinc/02/99/70/162029970.db2.gz AZOVXVZGLYWGTR-QGZVFWFLSA-N 1 0 345.424 3.331 20 5 EGBDRO CN(c1ccccc1)c1ccc(C[NH2+]CC(C)(C)O)cc1[N+](=O)[O-] ZINC000111385511 162154977 /nfs/dbraw/zinc/15/49/77/162154977.db2.gz FRDQHAPNHRQCCG-UHFFFAOYSA-N 1 0 329.400 3.223 20 5 EGBDRO CC[C@@H]([NH2+]CCC(=O)NCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000129292753 162352334 /nfs/dbraw/zinc/35/23/34/162352334.db2.gz DEXDMOAPPKNULN-GOSISDBHSA-N 1 0 341.411 3.342 20 5 EGBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000131309812 162397983 /nfs/dbraw/zinc/39/79/83/162397983.db2.gz AKLWPHZGLASYBX-AWEZNQCLSA-N 1 0 349.456 3.017 20 5 EGBDRO C[C@H](C(=O)NC1CCC(C)CC1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338346060 163218574 /nfs/dbraw/zinc/21/85/74/163218574.db2.gz GTVGJVXRQIGVIW-ISXOHVOVSA-N 1 0 347.459 3.153 20 5 EGBDRO C[C@H]([NH2+][C@@H](CC(=O)N(C)C)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000343909661 164063885 /nfs/dbraw/zinc/06/38/85/164063885.db2.gz AEOQYKAHHXRADN-KSSFIOAISA-N 1 0 341.411 3.465 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+]CCc2c[nH]c3ncccc23)c(Cl)c1 ZINC000344350392 164162175 /nfs/dbraw/zinc/16/21/75/164162175.db2.gz IQQBTRGPRFZLDG-UHFFFAOYSA-N 1 0 330.775 3.457 20 5 EGBDRO [NH3+][C@H]1CCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000346083136 164332836 /nfs/dbraw/zinc/33/28/36/164332836.db2.gz FZPFTRQXNIDCTA-NSHDSACASA-N 1 0 335.791 3.431 20 5 EGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC[C@H](O)C(C)C ZINC000349211800 164840327 /nfs/dbraw/zinc/84/03/27/164840327.db2.gz YOGWDZSQPUOBNF-ZFWWWQNUSA-N 1 0 326.462 3.462 20 5 EGBDRO O=[N+]([O-])c1cc(F)c(CN2CCC[N@@H+](C3CCCC3)CC2)c(F)c1 ZINC000352050544 165211305 /nfs/dbraw/zinc/21/13/05/165211305.db2.gz RSHYLBHDOPSXPC-UHFFFAOYSA-N 1 0 339.386 3.323 20 5 EGBDRO C[NH+](C)[C@@H](CNc1nc2ccccc2cc1[N+](=O)[O-])c1ccsc1 ZINC000352358965 165361556 /nfs/dbraw/zinc/36/15/56/165361556.db2.gz AKSQXKKUZLIGMU-INIZCTEOSA-N 1 0 342.424 3.341 20 5 EGBDRO O=[N+]([O-])c1cc(F)c(C[NH2+][C@H]2CCCC23CCOCC3)c(F)c1 ZINC000352372967 165368355 /nfs/dbraw/zinc/36/83/55/165368355.db2.gz ZSTGJTBGHWQQKN-HNNXBMFYSA-N 1 0 326.343 3.312 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(Cc2cccnc2)CC1 ZINC000357009553 166561266 /nfs/dbraw/zinc/56/12/66/166561266.db2.gz KHNOAICIRXBWKF-UHFFFAOYSA-N 1 0 341.411 3.453 20 5 EGBDRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(C)c1)c1ccco1 ZINC000359547368 167188257 /nfs/dbraw/zinc/18/82/57/167188257.db2.gz SAUNZVDCDXHWPQ-HIFRSBDPSA-N 1 0 345.399 3.355 20 5 EGBDRO CC[C@H](C)[NH2+][C@H](CNC(=O)c1ccc([N+](=O)[O-])s1)c1ccco1 ZINC000359565408 167195336 /nfs/dbraw/zinc/19/53/36/167195336.db2.gz USEFLCQNTOIHNU-WDEREUQCSA-N 1 0 337.401 3.109 20 5 EGBDRO CC(C)(CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000360600390 167367205 /nfs/dbraw/zinc/36/72/05/167367205.db2.gz UEXFHMZZSYQLEO-UHFFFAOYSA-N 1 0 339.823 3.100 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(NCC2([NH+]3CCSCC3)CCCC2)n1 ZINC000360676293 167385659 /nfs/dbraw/zinc/38/56/59/167385659.db2.gz OJZCBQORRNEVGV-UHFFFAOYSA-N 1 0 336.461 3.072 20 5 EGBDRO C[C@@H]1CC(=O)NCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000367669108 168257175 /nfs/dbraw/zinc/25/71/75/168257175.db2.gz KPIIFKXNFNXZTB-GFCCVEGCSA-N 1 0 345.424 3.034 20 5 EGBDRO Cc1ccccc1NC(=O)CC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088608096 264705981 /nfs/dbraw/zinc/70/59/81/264705981.db2.gz JQIUOURSUBUQFQ-UHFFFAOYSA-N 1 0 339.395 3.290 20 5 EGBDRO CC[NH+](CC)C[C@@H]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000174206934 265033398 /nfs/dbraw/zinc/03/33/98/265033398.db2.gz KFXRFVWUNPULTM-ZDUSSCGKSA-N 1 0 325.840 3.412 20 5 EGBDRO [NH3+][C@@H]1CCCCCC[C@H]1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000178539900 265324120 /nfs/dbraw/zinc/32/41/20/265324120.db2.gz SQZDXBCFNYYULF-QZTJIDSGSA-N 1 0 347.459 3.331 20 5 EGBDRO Cc1cc(C(=O)N(CC[NH+](C)C)C2CCCCC2)ccc1[N+](=O)[O-] ZINC000193789473 266063346 /nfs/dbraw/zinc/06/33/46/266063346.db2.gz WVMCHFYSMFJKFA-UHFFFAOYSA-N 1 0 333.432 3.240 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CC[C@H](c3cccc(F)c3)C2)c1 ZINC000269643086 266332735 /nfs/dbraw/zinc/33/27/35/266332735.db2.gz JUASXUHSMLDXHD-YJBOKZPZSA-N 1 0 330.359 3.257 20 5 EGBDRO C[C@@H]1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H](c2ccsc2)O1 ZINC000269649115 266333950 /nfs/dbraw/zinc/33/39/50/266333950.db2.gz LRLJOHVRWVQKMI-DQYPLSBCSA-N 1 0 348.424 3.152 20 5 EGBDRO COC(=O)[C@H]1CC12CC[NH+]([C@H](C)c1cc([N+](=O)[O-])ccc1C)CC2 ZINC000272273800 266806070 /nfs/dbraw/zinc/80/60/70/266806070.db2.gz DOLAUVNRHIGKEI-CZUORRHYSA-N 1 0 332.400 3.239 20 5 EGBDRO CC[C@H]([NH2+]CCCCCS(=O)(=O)CC)c1cccc([N+](=O)[O-])c1 ZINC000276443102 267548897 /nfs/dbraw/zinc/54/88/97/267548897.db2.gz RUBFCDWEXNSSFM-INIZCTEOSA-N 1 0 342.461 3.241 20 5 EGBDRO Cc1ccc(CN2CCC[C@H]([C@H](O)C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000278439614 268013266 /nfs/dbraw/zinc/01/32/66/268013266.db2.gz VRGBHLUODUOPCW-JSGCOSHPSA-N 1 0 332.322 3.038 20 5 EGBDRO CSC1(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCOCC1 ZINC000193008891 274174758 /nfs/dbraw/zinc/17/47/58/274174758.db2.gz DRTSXQFALGYKGM-INIZCTEOSA-N 1 0 336.457 3.474 20 5 EGBDRO CS[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C[C@H]1[NH+](C)C ZINC000347795328 274182553 /nfs/dbraw/zinc/18/25/53/274182553.db2.gz URPMZUYVDRBLAV-CHWSQXEVSA-N 1 0 349.378 3.095 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCC([C@@H]3CCC[NH2+]3)CC2)c2ccncc21 ZINC000261678009 275036044 /nfs/dbraw/zinc/03/60/44/275036044.db2.gz MNDUBEFHMRLACR-INIZCTEOSA-N 1 0 326.400 3.111 20 5 EGBDRO O=[N+]([O-])c1cnc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(Cl)c1 ZINC000269456734 275041212 /nfs/dbraw/zinc/04/12/12/275041212.db2.gz WWQFDMAGIXPSMG-XHDPSFHLSA-N 1 0 336.823 3.096 20 5 EGBDRO C[NH+](C)Cc1cccc(NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)c1 ZINC000047452598 275141722 /nfs/dbraw/zinc/14/17/22/275141722.db2.gz FJHRLMNILKKAMN-FLIBITNWSA-N 1 0 325.368 3.308 20 5 EGBDRO CCC[C@@]1(COC)CCC[N@@H+]1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000194919019 275230313 /nfs/dbraw/zinc/23/03/13/275230313.db2.gz UQOBFZFQVVSRDS-SFHVURJKSA-N 1 0 349.431 3.123 20 5 EGBDRO CC1(C)C[C@H]([NH2+]CCC(=O)N2CCCCC2)c2cc([N+](=O)[O-])ccc21 ZINC000279146079 275307806 /nfs/dbraw/zinc/30/78/06/275307806.db2.gz SIFPZMKVOSAZPI-KRWDZBQOSA-N 1 0 345.443 3.309 20 5 EGBDRO CCC(=O)c1ccc(NCc2ccc(N(C)C)nc2)c([N+](=O)[O-])c1 ZINC000280018736 275391990 /nfs/dbraw/zinc/39/19/90/275391990.db2.gz JPHQDVBPLZRUTF-UHFFFAOYSA-N 1 0 328.372 3.261 20 5 EGBDRO C[S@@](=O)C1(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CCC1 ZINC000281194027 275529099 /nfs/dbraw/zinc/52/90/99/275529099.db2.gz XURCKFOQOZAYIJ-NPMXOYFQSA-N 1 0 336.457 3.208 20 5 EGBDRO CCS[C@H]1CCC[C@@H]1[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000286078364 275948980 /nfs/dbraw/zinc/94/89/80/275948980.db2.gz JYNPFPOQUHAIDR-KBPBESRZSA-N 1 0 348.428 3.409 20 5 EGBDRO Cn1ccnc1[C@H]([NH2+]C[C@@H]1CCCSC1)c1ccc([N+](=O)[O-])cc1 ZINC000287079780 276080575 /nfs/dbraw/zinc/08/05/75/276080575.db2.gz OOIGMCZIGNXKIO-XJKSGUPXSA-N 1 0 346.456 3.151 20 5 EGBDRO CC1(C)C[C@H]([NH2+][C@@H]2CC(=O)N3CCCC[C@H]23)c2cc([N+](=O)[O-])ccc21 ZINC000338021468 276148768 /nfs/dbraw/zinc/14/87/68/276148768.db2.gz UHXFSIHKCAMREI-IXDOHACOSA-N 1 0 343.427 3.060 20 5 EGBDRO Cc1ccc([C@H](CNc2ccc(N)cc2[N+](=O)[O-])[NH+]2CCCC2)o1 ZINC000288074300 276180685 /nfs/dbraw/zinc/18/06/85/276180685.db2.gz VLMNQBIQSPKUBG-INIZCTEOSA-N 1 0 330.388 3.327 20 5 EGBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1sccc1C[NH+](C)C ZINC000288451761 276215571 /nfs/dbraw/zinc/21/55/71/276215571.db2.gz TVRUPUCLMARING-UHFFFAOYSA-N 1 0 347.440 3.033 20 5 EGBDRO C[C@H]([NH2+]C[C@@]1(CO)C[C@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000289600431 276364331 /nfs/dbraw/zinc/36/43/31/276364331.db2.gz CPPUFKQHUUMCAM-ZOCIIQOWSA-N 1 0 326.396 3.412 20 5 EGBDRO NC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000289601557 276364343 /nfs/dbraw/zinc/36/43/43/276364343.db2.gz SXURVGVSCYGJIU-PWSUYJOCSA-N 1 0 346.214 3.035 20 5 EGBDRO C[C@H]([NH2+]C[C@@]1(CO)C[C@@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000289600425 276364481 /nfs/dbraw/zinc/36/44/81/276364481.db2.gz CPPUFKQHUUMCAM-GDIGMMSISA-N 1 0 326.396 3.412 20 5 EGBDRO NC(=O)[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000289601577 276364540 /nfs/dbraw/zinc/36/45/40/276364540.db2.gz SXURVGVSCYGJIU-ZYHUDNBSSA-N 1 0 346.214 3.035 20 5 EGBDRO CCc1nnc(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)s1 ZINC000290030719 276437018 /nfs/dbraw/zinc/43/70/18/276437018.db2.gz CWJASNQSDXXECZ-CYBMUJFWSA-N 1 0 332.429 3.120 20 5 EGBDRO CC[C@H]([NH2+]CCC(=O)N1CCCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000129124138 276636138 /nfs/dbraw/zinc/63/61/38/276636138.db2.gz FZCOOWVQFJPYPN-KRWDZBQOSA-N 1 0 333.432 3.428 20 5 EGBDRO COCC1(CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000261602685 277484815 /nfs/dbraw/zinc/48/48/15/277484815.db2.gz BWROKHYPIOMBLE-UHFFFAOYSA-N 1 0 347.337 3.042 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000347313047 277702543 /nfs/dbraw/zinc/70/25/43/277702543.db2.gz NPJXMEUWGZILEH-MAUKXSAKSA-N 1 0 347.459 3.441 20 5 EGBDRO COc1cccc(N2CCC[C@@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)c1[N+](=O)[O-] ZINC000355338992 295305003 /nfs/dbraw/zinc/30/50/03/295305003.db2.gz HMZGTKWNSQCQER-QLFBSQMISA-N 1 0 333.432 3.445 20 5 EGBDRO CCCC[NH+]1CCC(NC(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000068449994 307370641 /nfs/dbraw/zinc/37/06/41/307370641.db2.gz WLIXVJZMCXYXTG-FNORWQNLSA-N 1 0 349.406 3.128 20 5 EGBDRO CC(C)([NH2+]Cc1ccc2c(c1)OCCO2)c1ccc([N+](=O)[O-])cc1 ZINC000080346936 307432969 /nfs/dbraw/zinc/43/29/69/307432969.db2.gz ZHJLMPKRDRMXAW-UHFFFAOYSA-N 1 0 328.368 3.391 20 5 EGBDRO CC[NH+](CC)CCN(Cc1cccs1)c1ncccc1[N+](=O)[O-] ZINC000136360782 307711277 /nfs/dbraw/zinc/71/12/77/307711277.db2.gz BJKKKWQPLQYUSI-UHFFFAOYSA-N 1 0 334.445 3.400 20 5 EGBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(OC)nc2)cc1[N+](=O)[O-] ZINC000152761876 307759231 /nfs/dbraw/zinc/75/92/31/307759231.db2.gz JPSUVWCNQHWXNN-GFCCVEGCSA-N 1 0 331.372 3.248 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCOCC1CCOCC1 ZINC000157496731 307847006 /nfs/dbraw/zinc/84/70/06/307847006.db2.gz ZGEIIGIHPUPTCM-OAHLLOKOSA-N 1 0 336.432 3.387 20 5 EGBDRO C[C@H](C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)CC(F)(F)F ZINC000414275342 309070155 /nfs/dbraw/zinc/07/01/55/309070155.db2.gz WIXVCJVYQUILKU-QJPTWQEYSA-N 1 0 334.342 3.453 20 5 EGBDRO COCC1CCC([NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000414319845 309072860 /nfs/dbraw/zinc/07/28/60/309072860.db2.gz ZYGDMSJWYFEGQC-FJBKBRRZSA-N 1 0 336.436 3.070 20 5 EGBDRO CCC[C@H]1CN(C/C=C\c2ccccc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000255036185 308038060 /nfs/dbraw/zinc/03/80/60/308038060.db2.gz DELODEDGWIPXGY-KKMIYCERSA-N 1 0 347.459 3.041 20 5 EGBDRO CCc1ncc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC000414470359 309082238 /nfs/dbraw/zinc/08/22/38/309082238.db2.gz OAVOZKMFLIYMCS-MRXNPFEDSA-N 1 0 326.400 3.327 20 5 EGBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000293329845 308120830 /nfs/dbraw/zinc/12/08/30/308120830.db2.gz JLFRJHAALSQAEU-KBPBESRZSA-N 1 0 348.447 3.002 20 5 EGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CC(N)=O)c1ccccc1 ZINC000293697014 308153590 /nfs/dbraw/zinc/15/35/90/308153590.db2.gz RGCDTEZIDGAIMR-YOEHRIQHSA-N 1 0 341.411 3.122 20 5 EGBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC[N@@H+](C2CC2)C1 ZINC000294897779 308268899 /nfs/dbraw/zinc/26/88/99/308268899.db2.gz HVIJVDJHVMPQIT-NSHDSACASA-N 1 0 341.358 3.117 20 5 EGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCc1nccnc1C ZINC000295119318 308293712 /nfs/dbraw/zinc/29/37/12/308293712.db2.gz YLAWLGYEUPZGMV-CQSZACIVSA-N 1 0 346.456 3.396 20 5 EGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@@H](O)Cc2cccc(F)c2)c1 ZINC000295155316 308297359 /nfs/dbraw/zinc/29/73/59/308297359.db2.gz RPPODYKHZNZFAK-HNNXBMFYSA-N 1 0 338.766 3.081 20 5 EGBDRO C[C@@H]1CN(c2nccc3cc([N+](=O)[O-])ccc32)CC[N@@H+](C2CCC2)C1 ZINC000295748398 308356284 /nfs/dbraw/zinc/35/62/84/308356284.db2.gz ZMLJJEFGSJWQRL-AWEZNQCLSA-N 1 0 340.427 3.454 20 5 EGBDRO CO[C@H]1CC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1(C)C ZINC000295953036 308378291 /nfs/dbraw/zinc/37/82/91/308378291.db2.gz JLMUCWABCGUWBO-INIZCTEOSA-N 1 0 345.399 3.497 20 5 EGBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000296686205 308455787 /nfs/dbraw/zinc/45/57/87/308455787.db2.gz IZQUBHYRESSMIR-ZDUSSCGKSA-N 1 0 343.383 3.283 20 5 EGBDRO CCc1ccccc1[C@H]([NH3+])CNC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000414718188 309097237 /nfs/dbraw/zinc/09/72/37/309097237.db2.gz YUFNLTCOZVJDIZ-OAHLLOKOSA-N 1 0 342.399 3.287 20 5 EGBDRO Cc1cc(F)ccc1C1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000298233772 308595765 /nfs/dbraw/zinc/59/57/65/308595765.db2.gz HWEWSIDPHSQHBB-UHFFFAOYSA-N 1 0 332.379 3.118 20 5 EGBDRO C[NH+](C)[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000298646180 308630407 /nfs/dbraw/zinc/63/04/07/308630407.db2.gz VPECUTRMHRNLGT-ZDUSSCGKSA-N 1 0 334.401 3.081 20 5 EGBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](C[C@H]3CCOC3)CC2)c(Cl)c1 ZINC000301267453 308694169 /nfs/dbraw/zinc/69/41/69/308694169.db2.gz IGYCGMIHRLTNQD-GFCCVEGCSA-N 1 0 339.823 3.161 20 5 EGBDRO COC1CC[NH+](CCNc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000301573206 308705798 /nfs/dbraw/zinc/70/57/98/308705798.db2.gz YVVYWQLMQPMEMQ-UHFFFAOYSA-N 1 0 347.337 3.136 20 5 EGBDRO CC[NH+](CC)[C@H]1CCN(c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000301645623 308708789 /nfs/dbraw/zinc/70/87/89/308708789.db2.gz CUABJRRPICPJIA-LBPRGKRZSA-N 1 0 342.237 3.278 20 5 EGBDRO Cc1cc(NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)ccc1[N+](=O)[O-] ZINC000301675667 308710513 /nfs/dbraw/zinc/71/05/13/308710513.db2.gz CDOMWUQDHBDTLG-QZTJIDSGSA-N 1 0 333.432 3.083 20 5 EGBDRO Cc1cc(NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)ccc1[N+](=O)[O-] ZINC000301675666 308710529 /nfs/dbraw/zinc/71/05/29/308710529.db2.gz CDOMWUQDHBDTLG-MSOLQXFVSA-N 1 0 333.432 3.083 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC000301746775 308713615 /nfs/dbraw/zinc/71/36/15/308713615.db2.gz QGHOIGNEVRFBOB-UHFFFAOYSA-N 1 0 338.839 3.346 20 5 EGBDRO CC(C)(C)Oc1cc(N2CC[C@@H]([NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000301883122 308719877 /nfs/dbraw/zinc/71/98/77/308719877.db2.gz NEVZGZPWMYAOIX-OAHLLOKOSA-N 1 0 333.432 3.447 20 5 EGBDRO O=[N+]([O-])c1cnc(NC[C@@H](c2cccs2)[NH+]2CCCC2)c(F)c1 ZINC000413028221 309012365 /nfs/dbraw/zinc/01/23/65/309012365.db2.gz OOWIROMYZOJSQL-ZDUSSCGKSA-N 1 0 336.392 3.439 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCC([NH+]3CCCC3)CC2)c2cccnc21 ZINC000413059755 309013891 /nfs/dbraw/zinc/01/38/91/309013891.db2.gz GYHQBNQWSHWSNA-UHFFFAOYSA-N 1 0 326.400 3.208 20 5 EGBDRO O=[N+]([O-])c1cnc(N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c(C(F)(F)F)c1 ZINC000413062230 309014088 /nfs/dbraw/zinc/01/40/88/309014088.db2.gz RADBQLLHPBJUFC-RYUDHWBXSA-N 1 0 330.310 3.047 20 5 EGBDRO CC[N@@H+]1CCC[C@@H](CNc2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000413092778 309015728 /nfs/dbraw/zinc/01/57/28/309015728.db2.gz LXVVAPZWAFJXBR-JTQLQIEISA-N 1 0 332.326 3.152 20 5 EGBDRO O=[N+]([O-])c1cnc(N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c(F)c1 ZINC000413099162 309016020 /nfs/dbraw/zinc/01/60/20/309016020.db2.gz SPQGFIDOYXYTFM-CQSZACIVSA-N 1 0 330.363 3.205 20 5 EGBDRO O=[N+]([O-])c1ccc2ccnc(N3CC[C@@H]([NH+]4CCCCC4)C3)c2c1 ZINC000413145530 309018155 /nfs/dbraw/zinc/01/81/55/309018155.db2.gz ZZHLITVRGRKDND-MRXNPFEDSA-N 1 0 326.400 3.208 20 5 EGBDRO CC[NH+](CC)C[C@@H]1CCN(c2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413167432 309019279 /nfs/dbraw/zinc/01/92/79/309019279.db2.gz KEENQVZAERDQIT-AWEZNQCLSA-N 1 0 328.416 3.311 20 5 EGBDRO C[C@@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2C(F)(F)F)C[N@@H+]1C1CC1 ZINC000413185716 309020338 /nfs/dbraw/zinc/02/03/38/309020338.db2.gz NQNGFTDBHDWOOD-RKDXNWHRSA-N 1 0 330.310 3.046 20 5 EGBDRO C[C@@H](c1ccncc1)[NH+]1CCC(Nc2ncc([N+](=O)[O-])cc2F)CC1 ZINC000413197858 309021053 /nfs/dbraw/zinc/02/10/53/309021053.db2.gz GLDTWKJGPOWGCB-LBPRGKRZSA-N 1 0 345.378 3.161 20 5 EGBDRO O=[N+]([O-])c1cnc(NC[C@H]2CCCC[N@@H+]2C2CC2)c(C(F)(F)F)c1 ZINC000413267009 309024300 /nfs/dbraw/zinc/02/43/00/309024300.db2.gz PGDZXJJTQBFGTK-LLVKDONJSA-N 1 0 344.337 3.437 20 5 EGBDRO O=[N+]([O-])c1ccc(CNC[C@@H]2[NH2+]CCc3ccccc32)c(Cl)c1 ZINC000414954667 309111305 /nfs/dbraw/zinc/11/13/05/309111305.db2.gz LSHCLFZDEWHRAY-KRWDZBQOSA-N 1 0 331.803 3.225 20 5 EGBDRO COc1ccc(C[NH2+]Cc2cccc3c2CCCN3)cc1[N+](=O)[O-] ZINC000415036456 309115718 /nfs/dbraw/zinc/11/57/18/309115718.db2.gz NSAHTMJQYYUUBQ-UHFFFAOYSA-N 1 0 327.384 3.251 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000415580039 309137414 /nfs/dbraw/zinc/13/74/14/309137414.db2.gz LEAACJWWOQJSBR-OAHLLOKOSA-N 1 0 334.420 3.111 20 5 EGBDRO [NH3+]CCCN(CC1CCCC1)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415636141 309139594 /nfs/dbraw/zinc/13/95/94/309139594.db2.gz WSFHPQDEKRJZML-UHFFFAOYSA-N 1 0 338.383 3.107 20 5 EGBDRO CC(C)(C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21)N1CCOCC1 ZINC000417321540 309201585 /nfs/dbraw/zinc/20/15/85/309201585.db2.gz LNRRAYINTAGKGK-GOSISDBHSA-N 1 0 347.459 3.063 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1CCn3ccnc3C1)CCCC2 ZINC000417342323 309202311 /nfs/dbraw/zinc/20/23/11/309202311.db2.gz MMVACXRRAVBADU-WMLDXEAASA-N 1 0 326.400 3.163 20 5 EGBDRO CC[C@H](NC(=O)NC[C@@H]1[NH2+]CCCC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000417845528 309224858 /nfs/dbraw/zinc/22/48/58/309224858.db2.gz IQVUKBURKCUYBY-HOTGVXAUSA-N 1 0 348.447 3.123 20 5 EGBDRO CC[C@H](NC(=O)NC[C@H]1[NH2+]CCCC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000417845533 309224891 /nfs/dbraw/zinc/22/48/91/309224891.db2.gz IQVUKBURKCUYBY-JKSUJKDBSA-N 1 0 348.447 3.123 20 5 EGBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000418720732 309254677 /nfs/dbraw/zinc/25/46/77/309254677.db2.gz LVJGHFUSRXIJIB-HOTGVXAUSA-N 1 0 348.447 3.032 20 5 EGBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000418720734 309254717 /nfs/dbraw/zinc/25/47/17/309254717.db2.gz LVJGHFUSRXIJIB-JKSUJKDBSA-N 1 0 348.447 3.032 20 5 EGBDRO Cc1cc(N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420225902 309277531 /nfs/dbraw/zinc/27/75/31/309277531.db2.gz FNPFUUYKIJNHFY-HOSYDEDBSA-N 1 0 329.322 3.096 20 5 EGBDRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2Nc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000420287135 309279504 /nfs/dbraw/zinc/27/95/04/309279504.db2.gz QVJBNAOBWUZKFU-HZNSRWLBSA-N 1 0 327.331 3.124 20 5 EGBDRO C[C@@H]1C[C@@H](CO)C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000421369133 309321052 /nfs/dbraw/zinc/32/10/52/309321052.db2.gz XWBCWKDRARUVFU-ZIAGYGMSSA-N 1 0 330.384 3.305 20 5 EGBDRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000421748266 309338346 /nfs/dbraw/zinc/33/83/46/309338346.db2.gz KWZQJDAFTCACPK-HNNXBMFYSA-N 1 0 335.448 3.452 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000421752816 309338533 /nfs/dbraw/zinc/33/85/33/309338533.db2.gz VLJRTONVRPSABA-UHFFFAOYSA-N 1 0 347.459 3.454 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000421779202 309339858 /nfs/dbraw/zinc/33/98/58/309339858.db2.gz KXBAMTMOZRULPJ-INIZCTEOSA-N 1 0 345.443 3.016 20 5 EGBDRO CC[C@H](O)C[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000422088219 309354597 /nfs/dbraw/zinc/35/45/97/309354597.db2.gz RYVJARGDWGYBMJ-AWEZNQCLSA-N 1 0 334.347 3.387 20 5 EGBDRO C[NH+](C)C1CCC(NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000422248371 309359236 /nfs/dbraw/zinc/35/92/36/309359236.db2.gz ZVLZRWXPCPOQIA-UHFFFAOYSA-N 1 0 348.447 3.002 20 5 EGBDRO Cc1c([C@H](C)[NH2+]C[C@@H]2NCCc3ccccc32)cccc1[N+](=O)[O-] ZINC000423414353 309399240 /nfs/dbraw/zinc/39/92/40/309399240.db2.gz CBVIDAPGSGFZOS-KSSFIOAISA-N 1 0 325.412 3.441 20 5 EGBDRO C[C@@H](CC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)[C@H]1CCC[NH2+]C1 ZINC000423730123 309410862 /nfs/dbraw/zinc/41/08/62/309410862.db2.gz VXWWFDJJOHQQFW-HOCLYGCPSA-N 1 0 345.443 3.112 20 5 EGBDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cc(Cl)cs3)CC2)n1 ZINC000425999966 309497398 /nfs/dbraw/zinc/49/73/98/309497398.db2.gz FUMLDRVZHLQSOP-UHFFFAOYSA-N 1 0 326.809 3.343 20 5 EGBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@]2(CO)C[C@H]2c2ccc(F)cc2)cs1 ZINC000428545821 309554796 /nfs/dbraw/zinc/55/47/96/309554796.db2.gz LCXGBVCACAYOCR-GOEBONIOSA-N 1 0 336.388 3.051 20 5 EGBDRO CC[C@H]1CN(CC[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CCO1 ZINC000433064728 309677510 /nfs/dbraw/zinc/67/75/10/309677510.db2.gz CEZRCZIESHBPPY-YJBOKZPZSA-N 1 0 347.459 3.018 20 5 EGBDRO CCC1(CC)[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H](C)[C@H]1OC ZINC000444695202 309926349 /nfs/dbraw/zinc/92/63/49/309926349.db2.gz DUYYCZIBTIZXOT-SSKCKEOISA-N 1 0 346.431 3.400 20 5 EGBDRO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)[C@]12CCCO2 ZINC000447595391 309983694 /nfs/dbraw/zinc/98/36/94/309983694.db2.gz NGCXTNNFNABKDB-FCGDIQPGSA-N 1 0 346.427 3.288 20 5 EGBDRO Cc1ccc(C[C@@H](CO)[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000447598542 309983889 /nfs/dbraw/zinc/98/38/89/309983889.db2.gz VMQHKYSXPSZUOI-FXAWDEMLSA-N 1 0 340.423 3.474 20 5 EGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCN1CCc2sccc2C1 ZINC000449095105 310036711 /nfs/dbraw/zinc/03/67/11/310036711.db2.gz WFXOCBKZRZGYBT-AWEZNQCLSA-N 1 0 345.468 3.235 20 5 EGBDRO C[C@@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])c1ccc(NC(N)=O)cc1 ZINC000449142193 310039893 /nfs/dbraw/zinc/03/98/93/310039893.db2.gz SFJIOJNFPUEUAP-QWHCGFSZSA-N 1 0 342.399 3.367 20 5 EGBDRO Cc1nn(C)c(C)c1CCC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449202935 310044317 /nfs/dbraw/zinc/04/43/17/310044317.db2.gz JJKHADSNAUOUGG-CYBMUJFWSA-N 1 0 330.432 3.099 20 5 EGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC(=O)N(C2CCCCC2)C1 ZINC000449237749 310046685 /nfs/dbraw/zinc/04/66/85/310046685.db2.gz CWMQZGPZXNHDPS-ZBFHGGJFSA-N 1 0 345.443 3.049 20 5 EGBDRO COc1ccc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC000449504872 310067457 /nfs/dbraw/zinc/06/74/57/310067457.db2.gz WLFRRGSXIXKUCQ-INIZCTEOSA-N 1 0 327.384 3.378 20 5 EGBDRO CC(C)(C(=O)Nc1ccc2c(c1)C[NH2+]C2)c1ccc([N+](=O)[O-])cc1 ZINC000449674148 310079967 /nfs/dbraw/zinc/07/99/67/310079967.db2.gz SJVXZWXKAMBOKR-UHFFFAOYSA-N 1 0 325.368 3.114 20 5 EGBDRO COC(=O)Cc1ccc(NC2CC(C)(C)[NH2+]C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000450238221 310110359 /nfs/dbraw/zinc/11/03/59/310110359.db2.gz AOBBLBKZMNVTLE-UHFFFAOYSA-N 1 0 349.431 3.031 20 5 EGBDRO C[C@@H](c1ccccc1)[C@H](O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000450483524 310125448 /nfs/dbraw/zinc/12/54/48/310125448.db2.gz IWRWCZMGWZHOTJ-IFXJQAMLSA-N 1 0 326.396 3.118 20 5 EGBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1c1nccc2c1cccc2[N+](=O)[O-] ZINC000450522939 310128137 /nfs/dbraw/zinc/12/81/37/310128137.db2.gz BNYLMFONTKSBIX-KBPBESRZSA-N 1 0 326.400 3.206 20 5 EGBDRO Cc1ccccc1[C@@H]([C@H](C)Nc1ncc([N+](=O)[O-])c(C)n1)[NH+](C)C ZINC000450537347 310128797 /nfs/dbraw/zinc/12/87/97/310128797.db2.gz XADGBPOHCRLMNX-XJKSGUPXSA-N 1 0 329.404 3.105 20 5 EGBDRO CC(C)(C)Oc1cc(NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)ccc1[N+](=O)[O-] ZINC000450788513 310142625 /nfs/dbraw/zinc/14/26/25/310142625.db2.gz HXMKWUOOMJDCBX-GASCZTMLSA-N 1 0 349.431 3.047 20 5 EGBDRO COc1ccc(C[N@@H+]2CCC[C@H](c3ccncc3)C2)cc1[N+](=O)[O-] ZINC000451002633 310154794 /nfs/dbraw/zinc/15/47/94/310154794.db2.gz SVVPCWRDPXDSJT-INIZCTEOSA-N 1 0 327.384 3.378 20 5 EGBDRO Cc1ccccc1CC[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000451164710 310163649 /nfs/dbraw/zinc/16/36/49/310163649.db2.gz IHDJDXZDOXNYSD-UHFFFAOYSA-N 1 0 341.411 3.406 20 5 EGBDRO O=C(C[NH2+][C@@H]1CCC12CCCC2)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000451464231 310179563 /nfs/dbraw/zinc/17/95/63/310179563.db2.gz YLKXAIMBOSMDOG-CQSZACIVSA-N 1 0 337.807 3.499 20 5 EGBDRO COc1cc(C[NH2+][C@@H]2C[C@](C)(OC)C2(C)C)c([N+](=O)[O-])cc1F ZINC000451498554 310181328 /nfs/dbraw/zinc/18/13/28/310181328.db2.gz WMXQJKQHMNCDMM-ZBFHGGJFSA-N 1 0 326.368 3.036 20 5 EGBDRO C[C@@](O)(C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)C(F)(F)F ZINC000451545445 310184789 /nfs/dbraw/zinc/18/47/89/310184789.db2.gz HJSIZIDLFDBEHC-TZMCWYRMSA-N 1 0 332.322 3.088 20 5 EGBDRO C[C@@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451549211 310185409 /nfs/dbraw/zinc/18/54/09/310185409.db2.gz PEJIBUSZAQBODJ-NVXWUHKLSA-N 1 0 345.443 3.175 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](CCOCC(F)(F)F)C2)cc1 ZINC000451553700 310185965 /nfs/dbraw/zinc/18/59/65/310185965.db2.gz YRBXMJITLOXYNF-CYBMUJFWSA-N 1 0 332.322 3.353 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCSC[C@@H]1C1CC1 ZINC000451645630 310190850 /nfs/dbraw/zinc/19/08/50/310190850.db2.gz BIYZJJFBORTPMD-MRXNPFEDSA-N 1 0 349.456 3.059 20 5 EGBDRO COc1ccc(NC(=O)C[NH2+][C@@H](C)[C@H]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000452070063 310210351 /nfs/dbraw/zinc/21/03/51/310210351.db2.gz OPBVECRXXQLIBV-IHRRRGAJSA-N 1 0 349.431 3.346 20 5 EGBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCOCC1CCCC1 ZINC000453384190 310274166 /nfs/dbraw/zinc/27/41/66/310274166.db2.gz CNJVIIMFMLLDGF-AWEZNQCLSA-N 1 0 349.431 3.108 20 5 EGBDRO CC(C)C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])Cc1cnn(C)c1 ZINC000453620667 310285077 /nfs/dbraw/zinc/28/50/77/310285077.db2.gz MDZQKHQFODYQNP-VURMDHGXSA-N 1 0 328.416 3.500 20 5 EGBDRO CC[C@H]1C[N@H+](CC)CCN1C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000454943575 310336759 /nfs/dbraw/zinc/33/67/59/310336759.db2.gz PAXDONWTEFTORG-AWEZNQCLSA-N 1 0 334.420 3.160 20 5 EGBDRO O=C(NCCCCC[NH+]1CCCC1)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000455342426 310356533 /nfs/dbraw/zinc/35/65/33/310356533.db2.gz YAMCNSHVCLEBQK-UHFFFAOYSA-N 1 0 338.383 3.122 20 5 EGBDRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)c3csc([N+](=O)[O-])c3)ccc21 ZINC000456271251 310395898 /nfs/dbraw/zinc/39/58/98/310395898.db2.gz KTCCUWIYBXWCRI-CQSZACIVSA-N 1 0 331.397 3.458 20 5 EGBDRO Cc1cc(NC(=O)c2ccccc2[N+](=O)[O-])ccc1OCC[NH+](C)C ZINC000458191170 310490535 /nfs/dbraw/zinc/49/05/35/310490535.db2.gz FXHCZSVVVADWRI-UHFFFAOYSA-N 1 0 343.383 3.096 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1Cc2cccc(OC)c2C1 ZINC000459699600 310569624 /nfs/dbraw/zinc/56/96/24/310569624.db2.gz MGEYAPKBPMRINB-OAHLLOKOSA-N 1 0 342.395 3.259 20 5 EGBDRO Nc1c(F)c(NC2CC[NH+](Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000471245385 310735507 /nfs/dbraw/zinc/73/55/07/310735507.db2.gz HMLFQUQGWBMSQX-UHFFFAOYSA-N 1 0 344.390 3.393 20 5 EGBDRO Cc1cccc(C(=O)NCC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000480908251 310902816 /nfs/dbraw/zinc/90/28/16/310902816.db2.gz FVSWNQSVNKWSIN-OAHLLOKOSA-N 1 0 341.411 3.292 20 5 EGBDRO CO[C@@H]1C[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C[C@H]1OC ZINC000488547957 311070824 /nfs/dbraw/zinc/07/08/24/311070824.db2.gz TVVABJAWFWLULS-HZPDHXFCSA-N 1 0 348.424 3.169 20 5 EGBDRO C[N@@H+]1CC[C@]2(CCN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)C2)C1 ZINC000488776001 311079807 /nfs/dbraw/zinc/07/98/07/311079807.db2.gz MXPXLDXMOOUCNA-IBGZPJMESA-N 1 0 338.411 3.189 20 5 EGBDRO C[C@@H](CNc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-])C[NH+](C)C ZINC000488987561 311088107 /nfs/dbraw/zinc/08/81/07/311088107.db2.gz UFVXDNSURCGTRW-AWEZNQCLSA-N 1 0 341.411 3.435 20 5 EGBDRO Cc1cscc1C[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000494490400 311483106 /nfs/dbraw/zinc/48/31/06/311483106.db2.gz CLDZPXOCEPMTIW-GFCCVEGCSA-N 1 0 333.413 3.472 20 5 EGBDRO COc1ccc(C[C@](C)([NH3+])CNc2cc(C)ccc2[N+](=O)[O-])cc1 ZINC000500292260 311923042 /nfs/dbraw/zinc/92/30/42/311923042.db2.gz MWKMZBFHDFUFRR-SFHVURJKSA-N 1 0 329.400 3.284 20 5 EGBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@H]1OCCc2ccccc21 ZINC000507254611 312066075 /nfs/dbraw/zinc/06/60/75/312066075.db2.gz HABIHXXUAFOHGJ-LJQANCHMSA-N 1 0 326.396 3.383 20 5 EGBDRO C[NH+](C)CCOc1ccc(CCNc2ccc(F)cc2[N+](=O)[O-])cc1 ZINC000511381842 312158878 /nfs/dbraw/zinc/15/88/78/312158878.db2.gz JTRQJENWJIJWTJ-UHFFFAOYSA-N 1 0 347.390 3.329 20 5 EGBDRO CCC[C@@]1([NH2+]Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CCOC1 ZINC000512286582 312181880 /nfs/dbraw/zinc/18/18/80/312181880.db2.gz PFZSIJBRKGVAGK-QGZVFWFLSA-N 1 0 331.372 3.299 20 5 EGBDRO Cc1cc(C)c(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])c(C)c1 ZINC000514856269 312249645 /nfs/dbraw/zinc/24/96/45/312249645.db2.gz WXJXCVDVJMLBER-INIZCTEOSA-N 1 0 344.411 3.050 20 5 EGBDRO Cc1ccc(CC[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000514909912 312252842 /nfs/dbraw/zinc/25/28/42/312252842.db2.gz GETRZORKLWKGEC-DLBZAZTESA-N 1 0 328.416 3.416 20 5 EGBDRO Cc1ccc([C@H](C)[N@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000515251230 312273260 /nfs/dbraw/zinc/27/32/60/312273260.db2.gz FLMBGRUVNFLBQT-MAUKXSAKSA-N 1 0 344.411 3.336 20 5 EGBDRO O=[N+]([O-])c1cnn(CCS[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000517741465 312391172 /nfs/dbraw/zinc/39/11/72/312391172.db2.gz POOBREQNJDSCHD-QGZVFWFLSA-N 1 0 346.456 3.189 20 5 EGBDRO CCC[NH+](CCC)CCCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000522881093 312603263 /nfs/dbraw/zinc/60/32/63/312603263.db2.gz JFJCVFDJYBYKMI-UHFFFAOYSA-N 1 0 341.839 3.490 20 5 EGBDRO CCOc1cc(N2CC[C@H](C3CC[NH+](C)CC3)C2)ccc1[N+](=O)[O-] ZINC000534424200 313980994 /nfs/dbraw/zinc/98/09/94/313980994.db2.gz CMJDCADMXINXTB-HNNXBMFYSA-N 1 0 333.432 3.162 20 5 EGBDRO COc1ccc2c(c1)CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)CC2 ZINC000536344389 314108256 /nfs/dbraw/zinc/10/82/56/314108256.db2.gz IVSXTDKUWFVYEI-UHFFFAOYSA-N 1 0 330.359 3.343 20 5 EGBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@@H](c1ccccc1)c1cncnc1 ZINC000548394823 315003731 /nfs/dbraw/zinc/00/37/31/315003731.db2.gz NVLMODMLWQFFHB-IBGZPJMESA-N 1 0 334.379 3.307 20 5 EGBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@H](c1ccccc1)c1cncnc1 ZINC000548394824 315003867 /nfs/dbraw/zinc/00/38/67/315003867.db2.gz NVLMODMLWQFFHB-LJQANCHMSA-N 1 0 334.379 3.307 20 5 EGBDRO C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000548933922 315064199 /nfs/dbraw/zinc/06/41/99/315064199.db2.gz LQJIFQHIFWSILF-VKJFTORMSA-N 1 0 347.459 3.153 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC(C)(C)[C@H]2CCC[C@@H]21 ZINC000550073727 315115578 /nfs/dbraw/zinc/11/55/78/315115578.db2.gz WUUOTQIIIRTRKS-KBPBESRZSA-N 1 0 331.416 3.352 20 5 EGBDRO O=C1[C@@H]([NH+]2CCC3(CCCC3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000558425164 315567141 /nfs/dbraw/zinc/56/71/41/315567141.db2.gz SEEOKNZQXXNMTR-KRWDZBQOSA-N 1 0 343.427 3.356 20 5 EGBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000565506342 316331993 /nfs/dbraw/zinc/33/19/93/316331993.db2.gz VSAXJNMXTQXBLQ-AWEZNQCLSA-N 1 0 336.436 3.454 20 5 EGBDRO CC(C)c1ccc(C(=O)NCc2ccc(C[NH3+])cc2)cc1[N+](=O)[O-] ZINC000567923992 316694885 /nfs/dbraw/zinc/69/48/85/316694885.db2.gz NELAIVOUGNXHSL-UHFFFAOYSA-N 1 0 327.384 3.107 20 5 EGBDRO C[N@@H+]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])C[C@@H]1Cc1ccccc1 ZINC000571174315 317162093 /nfs/dbraw/zinc/16/20/93/317162093.db2.gz MZQXQUMVUAHYBI-HNNXBMFYSA-N 1 0 346.818 3.006 20 5 EGBDRO CC[C@@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H]1CCCO1 ZINC000182283057 323539302 /nfs/dbraw/zinc/53/93/02/323539302.db2.gz OZNSOTOAGYLCPR-CVEARBPZSA-N 1 0 345.399 3.340 20 5 EGBDRO CC[C@@H]([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CCCO1 ZINC000182302572 323541407 /nfs/dbraw/zinc/54/14/07/323541407.db2.gz NHFMXOYHCIBRBB-CVEARBPZSA-N 1 0 331.372 3.297 20 5 EGBDRO C[C@H]1[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCN1Cc1ccccc1 ZINC000380041796 324243263 /nfs/dbraw/zinc/24/32/63/324243263.db2.gz SBIIBTROYVRIFR-KXBFYZLASA-N 1 0 325.412 3.347 20 5 EGBDRO CCC[C@@H](C)[C@@H](CO)[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000578775577 325017455 /nfs/dbraw/zinc/01/74/55/325017455.db2.gz CCHFUGNWPVUYJG-CZUORRHYSA-N 1 0 347.415 3.179 20 5 EGBDRO CC1(C)C[C@H]([NH2+][C@H]2C[C@H]3CCCCN3C2=O)c2cc([N+](=O)[O-])ccc21 ZINC000578847205 325027052 /nfs/dbraw/zinc/02/70/52/325027052.db2.gz UIJAYTDGGSXPNB-DQYPLSBCSA-N 1 0 343.427 3.060 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]Cc1ccc2c(n1)CCC2 ZINC000580525135 325261891 /nfs/dbraw/zinc/26/18/91/325261891.db2.gz RZYGYPJZYUGVCC-UHFFFAOYSA-N 1 0 331.803 3.464 20 5 EGBDRO CC[C@@H]1C[N@H+](C)CCN1c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000580940562 325312117 /nfs/dbraw/zinc/31/21/17/325312117.db2.gz VPDXZPNWKDWGFK-OAHLLOKOSA-N 1 0 326.400 3.187 20 5 EGBDRO C[C@@](CO)(C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])Cc1ccccc1 ZINC000581143183 325334840 /nfs/dbraw/zinc/33/48/40/325334840.db2.gz UMAFQHOUQUAIPN-ICSRJNTNSA-N 1 0 340.423 3.413 20 5 EGBDRO CCOC(=O)[C@]1(C(C)C)CC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000581350092 325353593 /nfs/dbraw/zinc/35/35/93/325353593.db2.gz GRNFJNUDVYEADR-GOSISDBHSA-N 1 0 334.416 3.314 20 5 EGBDRO CC[C@H](CC(F)(F)F)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000582901173 325479364 /nfs/dbraw/zinc/47/93/64/325479364.db2.gz PEWLUDYUNXDHBD-SNVBAGLBSA-N 1 0 333.310 3.244 20 5 EGBDRO C[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)C(=O)OC(C)(C)C ZINC000594514918 459072000 /nfs/dbraw/zinc/07/20/00/459072000.db2.gz MGMJMHRGPMEGIG-SNVBAGLBSA-N 1 0 328.796 3.316 20 5 EGBDRO Cc1cccc([C@H]([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)C(C)(C)C)c1 ZINC000180788539 455245013 /nfs/dbraw/zinc/24/50/13/455245013.db2.gz RTPVMGJVAOKQCK-SFHVURJKSA-N 1 0 343.427 3.442 20 5 EGBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)c1 ZINC000264658118 455257754 /nfs/dbraw/zinc/25/77/54/455257754.db2.gz YCRQIJLPYXBHIF-CYBMUJFWSA-N 1 0 349.456 3.017 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@@H]3CCC[C@H]3CCO)o2)c1 ZINC000189978038 455265248 /nfs/dbraw/zinc/26/52/48/455265248.db2.gz GGFKJNWOOINKKU-SUMWQHHRSA-N 1 0 330.384 3.496 20 5 EGBDRO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000173436578 455283155 /nfs/dbraw/zinc/28/31/55/455283155.db2.gz JPKXUUVKMNBARH-KMFMINBZSA-N 1 0 343.427 3.137 20 5 EGBDRO COC(=O)c1ccc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000181330802 455319423 /nfs/dbraw/zinc/31/94/23/455319423.db2.gz MGCSUPCLKSGGCM-UHFFFAOYSA-N 1 0 328.368 3.406 20 5 EGBDRO COc1ccc(NC(=O)CC[NH2+][C@H](C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000181358162 455322416 /nfs/dbraw/zinc/32/24/16/455322416.db2.gz DABJKWNOGOHQJI-CYBMUJFWSA-N 1 0 343.383 3.283 20 5 EGBDRO Cc1cccc(C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)c1[N+](=O)[O-] ZINC000012772855 453403169 /nfs/dbraw/zinc/40/31/69/453403169.db2.gz BEKTZOMVDVVASX-INIZCTEOSA-N 1 0 345.374 3.075 20 5 EGBDRO CCN(CC[NH3+])Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000600775413 460598600 /nfs/dbraw/zinc/59/86/00/460598600.db2.gz NRBUFHFTANQQSD-UHFFFAOYSA-N 1 0 333.363 3.307 20 5 EGBDRO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cccs1 ZINC000015171284 453561204 /nfs/dbraw/zinc/56/12/04/453561204.db2.gz DLAUIAXXGNMPQU-ZDUSSCGKSA-N 1 0 336.373 3.279 20 5 EGBDRO COc1ccccc1[C@H](CNc1ccc([N+](=O)[O-])cn1)[NH+]1CCCC1 ZINC000022806758 453699455 /nfs/dbraw/zinc/69/94/55/453699455.db2.gz LPDXFSLMBALCGW-INIZCTEOSA-N 1 0 342.399 3.247 20 5 EGBDRO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1cccc(F)c1 ZINC000026223906 453795066 /nfs/dbraw/zinc/79/50/66/453795066.db2.gz MPKNUMGWTHVKLN-UHFFFAOYSA-N 1 0 331.347 3.195 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCc2sccc2C1 ZINC000026343762 453797263 /nfs/dbraw/zinc/79/72/63/453797263.db2.gz IOTGTCURWABTCR-UHFFFAOYSA-N 1 0 345.424 3.352 20 5 EGBDRO C[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CCCCCC1 ZINC000029167171 453826856 /nfs/dbraw/zinc/82/68/56/453826856.db2.gz VLVZRHUTAKNADN-UHFFFAOYSA-N 1 0 331.416 3.139 20 5 EGBDRO CC1CCC([N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C2CC2)CC1 ZINC000053170599 453863246 /nfs/dbraw/zinc/86/32/46/453863246.db2.gz SLHOBYUAIPOQKL-UHFFFAOYSA-N 1 0 331.416 3.237 20 5 EGBDRO C[N@@H+](Cc1ccccc1)CC1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000066812937 453876463 /nfs/dbraw/zinc/87/64/63/453876463.db2.gz WGVGSCFHSCSWLP-UHFFFAOYSA-N 1 0 340.427 3.338 20 5 EGBDRO CCOC[C@H]1CC[N@@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000081520805 453881816 /nfs/dbraw/zinc/88/18/16/453881816.db2.gz LQJRYNJKUMKIPE-STQMWFEESA-N 1 0 346.387 3.064 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000067165021 453908492 /nfs/dbraw/zinc/90/84/92/453908492.db2.gz UFDKAGGYRIRYKT-CQSZACIVSA-N 1 0 333.432 3.145 20 5 EGBDRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])s1)c1ccco1 ZINC000067276578 453917233 /nfs/dbraw/zinc/91/72/33/453917233.db2.gz IWUSGJWHEFRSJA-NSHDSACASA-N 1 0 337.401 3.062 20 5 EGBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@@H](Nc3ccccc3)C2)cc1 ZINC000076758409 454033430 /nfs/dbraw/zinc/03/34/30/454033430.db2.gz WCVRFXNSOCGMCJ-MRXNPFEDSA-N 1 0 327.384 3.160 20 5 EGBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@H](Nc3ccccc3)C2)cc1 ZINC000076758412 454033870 /nfs/dbraw/zinc/03/38/70/454033870.db2.gz WCVRFXNSOCGMCJ-INIZCTEOSA-N 1 0 327.384 3.160 20 5 EGBDRO Cc1ccccc1CNC(=O)[C@@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000056196468 454043522 /nfs/dbraw/zinc/04/35/22/454043522.db2.gz MEUVIGNMXDUUTG-HUUCEWRRSA-N 1 0 341.411 3.259 20 5 EGBDRO Cc1ccccc1CNC(=O)[C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000056196469 454043551 /nfs/dbraw/zinc/04/35/51/454043551.db2.gz MEUVIGNMXDUUTG-CABCVRRESA-N 1 0 341.411 3.259 20 5 EGBDRO C[C@@H](NC(=O)NCC1([NH+](C)C)CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000056383287 454055356 /nfs/dbraw/zinc/05/53/56/454055356.db2.gz GTFPNPHBCAOTRD-CQSZACIVSA-N 1 0 348.447 3.220 20 5 EGBDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000056715514 454075430 /nfs/dbraw/zinc/07/54/30/454075430.db2.gz OYFYTBDNABESGB-CYBMUJFWSA-N 1 0 337.395 3.118 20 5 EGBDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000057005282 454095646 /nfs/dbraw/zinc/09/56/46/454095646.db2.gz VWNYOLZZDGDPQF-OAHLLOKOSA-N 1 0 348.447 3.049 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCOCC(F)F)o2)cc1 ZINC000190900578 455401770 /nfs/dbraw/zinc/40/17/70/455401770.db2.gz QWDPGGMDBJSKET-UHFFFAOYSA-N 1 0 326.299 3.226 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C3CCCC3)CC2)c2ccncc21 ZINC000045026693 454133768 /nfs/dbraw/zinc/13/37/68/454133768.db2.gz PZNGTCUMMNLNKD-UHFFFAOYSA-N 1 0 326.400 3.208 20 5 EGBDRO C[C@@H](NC(=O)N1CCC[N@@H+](C(C)(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000057615767 454137561 /nfs/dbraw/zinc/13/75/61/454137561.db2.gz FZXRISDRVSFHGO-CQSZACIVSA-N 1 0 348.447 3.172 20 5 EGBDRO CC(=O)NCCc1ccc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000089513231 454157651 /nfs/dbraw/zinc/15/76/51/454157651.db2.gz WJYQDCBUDQCASZ-CQSZACIVSA-N 1 0 341.411 3.124 20 5 EGBDRO CC[C@]1(CO)CCC[N@@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000191011606 455424288 /nfs/dbraw/zinc/42/42/88/455424288.db2.gz UGVTUFOSLBSVLX-QGZVFWFLSA-N 1 0 347.440 3.455 20 5 EGBDRO CC1(C)CCCC[C@@H]1[NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000119786177 454220311 /nfs/dbraw/zinc/22/03/11/454220311.db2.gz UFEZSKSTJPXTKU-INIZCTEOSA-N 1 0 347.415 3.451 20 5 EGBDRO Cc1cnc(N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000078670434 454295755 /nfs/dbraw/zinc/29/57/55/454295755.db2.gz RFIZGVITTSYMLS-MRXNPFEDSA-N 1 0 326.400 3.009 20 5 EGBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@H](c1ccc(F)cc1)C1CCC1 ZINC000090554088 454320820 /nfs/dbraw/zinc/32/08/20/454320820.db2.gz CMXGZMYFHJANBV-SFHVURJKSA-N 1 0 345.374 3.027 20 5 EGBDRO Cc1ccc(C(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000047038137 454323490 /nfs/dbraw/zinc/32/34/90/454323490.db2.gz KFGPWHJCYIKKSR-HUUCEWRRSA-N 1 0 347.459 3.391 20 5 EGBDRO CC[C@H](NC(=O)N1CC[NH+](CC(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000090685393 454335229 /nfs/dbraw/zinc/33/52/29/454335229.db2.gz CBJRICWXDKCYER-KRWDZBQOSA-N 1 0 348.447 3.029 20 5 EGBDRO COc1ccc2c(c1)OC[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C2 ZINC000090964637 454355222 /nfs/dbraw/zinc/35/52/22/454355222.db2.gz MULAWTBXKMKADY-DOMZBBRYSA-N 1 0 328.368 3.258 20 5 EGBDRO C[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C[NH+]1CCCC1 ZINC000047345243 454360942 /nfs/dbraw/zinc/36/09/42/454360942.db2.gz UFRLWZJJCGYPJX-NSHDSACASA-N 1 0 340.811 3.102 20 5 EGBDRO C[C@@H]([NH2+][C@@H](C)C(=O)NCc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000079309380 454395979 /nfs/dbraw/zinc/39/59/79/454395979.db2.gz JDVMURLXFGWSTK-OLZOCXBDSA-N 1 0 345.374 3.089 20 5 EGBDRO CC[C@@H]1CCCCN1C(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000079309572 454396178 /nfs/dbraw/zinc/39/61/78/454396178.db2.gz MIPNPUMPLKDKKI-SQWLQELKSA-N 1 0 333.432 3.425 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@H]1CCCC1(C)C ZINC000097105561 454408178 /nfs/dbraw/zinc/40/81/78/454408178.db2.gz BBOOETYAHNXYAT-ABAIWWIYSA-N 1 0 335.404 3.099 20 5 EGBDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000063505295 454419631 /nfs/dbraw/zinc/41/96/31/454419631.db2.gz DZLUYVSLOFRHQE-ZDUSSCGKSA-N 1 0 337.395 3.118 20 5 EGBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)nc1 ZINC000064550835 454490843 /nfs/dbraw/zinc/49/08/43/454490843.db2.gz POULMZGSZBLWDV-ZDUSSCGKSA-N 1 0 332.429 3.375 20 5 EGBDRO COC(=O)[C@@H](C)[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000079922439 454500381 /nfs/dbraw/zinc/50/03/81/454500381.db2.gz KOYWDGQLCJIVLU-SUMWQHHRSA-N 1 0 328.368 3.235 20 5 EGBDRO COC(C)(C)C[C@H](C)[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000121970284 454500405 /nfs/dbraw/zinc/50/04/05/454500405.db2.gz LQQVPBVDKVVFPS-OLZOCXBDSA-N 1 0 337.420 3.105 20 5 EGBDRO COc1ccc(C[N@H+](C)C/C=C/c2ccccc2[N+](=O)[O-])cc1O ZINC000092404814 454563075 /nfs/dbraw/zinc/56/30/75/454563075.db2.gz KOHZYTSKKXSXJT-FNORWQNLSA-N 1 0 328.368 3.454 20 5 EGBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2c2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000092685962 454610628 /nfs/dbraw/zinc/61/06/28/454610628.db2.gz RBEVBOIMKHUJIB-YPMHNXCESA-N 1 0 341.358 3.117 20 5 EGBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1ccc2c(c1)OCCO2 ZINC000051588940 454631934 /nfs/dbraw/zinc/63/19/34/454631934.db2.gz OBJIPQGPFGTDLH-UHFFFAOYSA-N 1 0 328.368 3.041 20 5 EGBDRO CCc1cc(N[C@@H](C)CC[NH+](C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000065945360 454641917 /nfs/dbraw/zinc/64/19/17/454641917.db2.gz CPMOGPWPVFPZHV-ZDUSSCGKSA-N 1 0 343.431 3.366 20 5 EGBDRO O=C(NC1CCCCC1)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000065964384 454646540 /nfs/dbraw/zinc/64/65/40/454646540.db2.gz BMWMTEHDIAORSE-UHFFFAOYSA-N 1 0 345.443 3.256 20 5 EGBDRO Cc1c(NC(=O)CC[N@@H+](C)Cc2cccc(O)c2)cccc1[N+](=O)[O-] ZINC000080919265 454647353 /nfs/dbraw/zinc/64/73/53/454647353.db2.gz IQKBJRSZHOOSGJ-UHFFFAOYSA-N 1 0 343.383 3.069 20 5 EGBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@H]2Cc2ccccc2Cl)n1 ZINC000176216662 454713285 /nfs/dbraw/zinc/71/32/85/454713285.db2.gz XGNZBOHPBKDWPP-CQSZACIVSA-N 1 0 334.807 3.152 20 5 EGBDRO C[C@H](O)C[C@@H]1CCC[N@@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000093482114 454717866 /nfs/dbraw/zinc/71/78/66/454717866.db2.gz LPJBYVLPZZIHOY-WFASDCNBSA-N 1 0 347.440 3.454 20 5 EGBDRO COC(=O)c1ccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000152905957 454738852 /nfs/dbraw/zinc/73/88/52/454738852.db2.gz JIWOEWLEKTVETH-GFCCVEGCSA-N 1 0 344.367 3.241 20 5 EGBDRO COC[C@H]([NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])C(C)C ZINC000162190434 454757896 /nfs/dbraw/zinc/75/78/96/454757896.db2.gz NTUDWACLJUDKCW-LBPRGKRZSA-N 1 0 331.210 3.118 20 5 EGBDRO C[N@H+](CCn1cccn1)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000125266986 454809271 /nfs/dbraw/zinc/80/92/71/454809271.db2.gz SDUMWEMCZCIYDU-UHFFFAOYSA-N 1 0 326.356 3.183 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCC(OC3CCCC3)CC2)c1 ZINC000153835086 454838290 /nfs/dbraw/zinc/83/82/90/454838290.db2.gz XAZTYDUYXSGBTJ-SFHVURJKSA-N 1 0 334.416 3.052 20 5 EGBDRO CC(C)(C)OC(=O)NC[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)C1CC1 ZINC000153831994 454838358 /nfs/dbraw/zinc/83/83/58/454838358.db2.gz SIAFKGPVRQRWIH-LBPRGKRZSA-N 1 0 341.433 3.049 20 5 EGBDRO Cc1nn(C)c(NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)c1[N+](=O)[O-] ZINC000142818656 454839173 /nfs/dbraw/zinc/83/91/73/454839173.db2.gz OBXSLJOCNDHCGO-ZDUSSCGKSA-N 1 0 349.460 3.022 20 5 EGBDRO CN(C)[C@@H](C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccco1 ZINC000154065900 454861949 /nfs/dbraw/zinc/86/19/49/454861949.db2.gz WZUQKPMYNWICOO-AEFFLSMTSA-N 1 0 343.427 3.401 20 5 EGBDRO Cc1cc2ncc([C@H](C)[NH2+]Cc3ccc([N+](=O)[O-])cc3)c(C)n2n1 ZINC000126052091 454866976 /nfs/dbraw/zinc/86/69/76/454866976.db2.gz JBJNNXBCNHWVFV-LBPRGKRZSA-N 1 0 325.372 3.105 20 5 EGBDRO Cc1cc(C(=O)N2CC[NH+](CCC(C)(C)C)CC2)cc([N+](=O)[O-])c1 ZINC000148284522 454869651 /nfs/dbraw/zinc/86/96/51/454869651.db2.gz YMULEGWVPDKMDA-UHFFFAOYSA-N 1 0 333.432 3.097 20 5 EGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1c2ccccc2C[C@@H]1O ZINC000166657674 454914348 /nfs/dbraw/zinc/91/43/48/454914348.db2.gz BRBPILHIZLCFGT-AGRHKRQWSA-N 1 0 326.396 3.164 20 5 EGBDRO C[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H](C)c1ccccc1 ZINC000178205942 454942794 /nfs/dbraw/zinc/94/27/94/454942794.db2.gz UKGKIKNEBJSRRH-ZIAGYGMSSA-N 1 0 327.384 3.315 20 5 EGBDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000178291921 454945666 /nfs/dbraw/zinc/94/56/66/454945666.db2.gz IEXWJBJPIFSNQQ-ZDUSSCGKSA-N 1 0 335.429 3.255 20 5 EGBDRO NC(=O)c1ccc(C[N@H+](CC2CC2)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000170785522 454976900 /nfs/dbraw/zinc/97/69/00/454976900.db2.gz GCGLKJFUKCOFQD-UHFFFAOYSA-N 1 0 331.416 3.238 20 5 EGBDRO CC1CCC([NH+]2CCN(CCOc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000115566870 455021076 /nfs/dbraw/zinc/02/10/76/455021076.db2.gz ZVPAEYIPYBPROP-UHFFFAOYSA-N 1 0 347.459 3.170 20 5 EGBDRO O=[N+]([O-])c1cccc(C[N@@H+](Cc2ccccc2)[C@H](CO)C2CC2)c1 ZINC000155919356 455062641 /nfs/dbraw/zinc/06/26/41/455062641.db2.gz VCDMHALBWVYJRB-LJQANCHMSA-N 1 0 326.396 3.368 20 5 EGBDRO Cc1ccccc1[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)C(C)(C)C ZINC000180084225 455129737 /nfs/dbraw/zinc/12/97/37/455129737.db2.gz YDHIRBRYQZEJDM-GOSISDBHSA-N 1 0 343.427 3.442 20 5 EGBDRO C[C@H]([NH2+]CC(=O)N(C)Cc1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000180435191 455170537 /nfs/dbraw/zinc/17/05/37/455170537.db2.gz HBGRLNCUQGCBFP-ZDUSSCGKSA-N 1 0 345.374 3.043 20 5 EGBDRO Cc1cc(N2CCC[C@@H](C3OCCO3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000181500833 455345149 /nfs/dbraw/zinc/34/51/49/455345149.db2.gz RIWNJWRWWPJHPP-CYBMUJFWSA-N 1 0 343.383 3.041 20 5 EGBDRO CC(=O)c1ccc(N2CCC[C@@H]([NH+]3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000265623217 455350911 /nfs/dbraw/zinc/35/09/11/455350911.db2.gz YLBKXHSCGQVXOZ-MRXNPFEDSA-N 1 0 331.416 3.252 20 5 EGBDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000265789044 455381873 /nfs/dbraw/zinc/38/18/73/455381873.db2.gz LMAWUEBPYQHZFM-OAHLLOKOSA-N 1 0 349.475 3.499 20 5 EGBDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000265847232 455392475 /nfs/dbraw/zinc/39/24/75/455392475.db2.gz WQFSXAWABQFEQY-OAHLLOKOSA-N 1 0 347.459 3.253 20 5 EGBDRO CC[NH+](CC)C[C@@H]1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000174879582 455416890 /nfs/dbraw/zinc/41/68/90/455416890.db2.gz KNZSDIZDCKDWSY-ZDUSSCGKSA-N 1 0 325.840 3.412 20 5 EGBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C1(c2ccccc2)CCC1 ZINC000182046834 455423016 /nfs/dbraw/zinc/42/30/16/455423016.db2.gz QEWBTAJGQDGNPS-MRXNPFEDSA-N 1 0 342.395 3.004 20 5 EGBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCC1CC[NH+](C)CC1 ZINC000184720710 455436749 /nfs/dbraw/zinc/43/67/49/455436749.db2.gz XYVVYUHPIHKQAP-KRWDZBQOSA-N 1 0 347.459 3.012 20 5 EGBDRO C[C@@H](c1ccccc1)[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182178134 455453556 /nfs/dbraw/zinc/45/35/56/455453556.db2.gz SVDMQRWWHJYDCT-HOCLYGCPSA-N 1 0 330.384 3.028 20 5 EGBDRO CCC[N@H+](C)C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000182210894 455461714 /nfs/dbraw/zinc/46/17/14/455461714.db2.gz OXSRYNDBNSTJLV-ZDUSSCGKSA-N 1 0 325.840 3.412 20 5 EGBDRO CCOC(=O)[C@@](C)(C[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000191638930 455506372 /nfs/dbraw/zinc/50/63/72/455506372.db2.gz HVWZESONQGEEGJ-IBGZPJMESA-N 1 0 342.395 3.205 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000182497766 455526134 /nfs/dbraw/zinc/52/61/34/455526134.db2.gz KFBLGIYXUCNLQG-BJJXKVORSA-N 1 0 347.415 3.052 20 5 EGBDRO Cc1cnc([C@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)C2CC2)s1 ZINC000185303222 455536727 /nfs/dbraw/zinc/53/67/27/455536727.db2.gz FEKABNZAHUOPGE-OAHLLOKOSA-N 1 0 333.413 3.479 20 5 EGBDRO C[NH+](C)CCN(Cc1cccc(Cl)c1)c1ncc([N+](=O)[O-])s1 ZINC000192488714 455630006 /nfs/dbraw/zinc/63/00/06/455630006.db2.gz FKVGKRZMVSEPCC-UHFFFAOYSA-N 1 0 340.836 3.273 20 5 EGBDRO Cc1cc(C)n(CCC[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)n1 ZINC000192605722 455651872 /nfs/dbraw/zinc/65/18/72/455651872.db2.gz BNNZJDPJTAKADB-SFHVURJKSA-N 1 0 328.416 3.465 20 5 EGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCC[C@@H](C)CO ZINC000271520721 455670127 /nfs/dbraw/zinc/67/01/27/455670127.db2.gz OKQFRCLWKSTXFT-ZIAGYGMSSA-N 1 0 326.462 3.464 20 5 EGBDRO CC(C)[NH+]1CCC(N(C)c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000248038249 455673525 /nfs/dbraw/zinc/67/35/25/455673525.db2.gz JYFDSVDIKYNOAP-UHFFFAOYSA-N 1 0 328.416 3.452 20 5 EGBDRO O=C(CC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)NC1CCCCC1 ZINC000192708940 455675314 /nfs/dbraw/zinc/67/53/14/455675314.db2.gz GZWMNELNHBMJHS-GOSISDBHSA-N 1 0 345.443 3.401 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@@H](O)c1cccc(F)c1)CCC2 ZINC000192745106 455684403 /nfs/dbraw/zinc/68/44/03/455684403.db2.gz DQYSTEFIPDVDLF-ZWKOTPCHSA-N 1 0 330.359 3.435 20 5 EGBDRO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1OCCc2sccc21 ZINC000292548973 455693836 /nfs/dbraw/zinc/69/38/36/455693836.db2.gz YIYKNHZVCAHMCL-PXAZEXFGSA-N 1 0 348.424 3.327 20 5 EGBDRO C[N@@H+]1CCC[C@H]2CN(c3ccc([N+](=O)[O-])c4cnccc43)CC[C@H]21 ZINC000268798529 455713949 /nfs/dbraw/zinc/71/39/49/455713949.db2.gz CTADJMWEHSZARE-XJKSGUPXSA-N 1 0 326.400 3.064 20 5 EGBDRO CCn1nc(C)c([N+](=O)[O-])c1SCC[N@H+](C)Cc1ccccc1 ZINC000192929370 455721066 /nfs/dbraw/zinc/72/10/66/455721066.db2.gz KARBJLRUFVLLFN-UHFFFAOYSA-N 1 0 334.445 3.344 20 5 EGBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000248676255 455725824 /nfs/dbraw/zinc/72/58/24/455725824.db2.gz YVIQGVYZORYVSR-GDBMZVCRSA-N 1 0 349.479 3.210 20 5 EGBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCCC(F)(F)F ZINC000268923477 455732047 /nfs/dbraw/zinc/73/20/47/455732047.db2.gz KPGGUQUNUURUCX-SNVBAGLBSA-N 1 0 333.310 3.244 20 5 EGBDRO COCCN(Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000193608982 455767110 /nfs/dbraw/zinc/76/71/10/455767110.db2.gz RFENQZFFWWCPET-UHFFFAOYSA-N 1 0 345.355 3.152 20 5 EGBDRO Cn1ncc2c1CCC[C@H]2[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278287433 455806928 /nfs/dbraw/zinc/80/69/28/455806928.db2.gz QSPLSXODUNSVHM-DLBZAZTESA-N 1 0 326.400 3.373 20 5 EGBDRO C[C@@]1(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)CC[NH2+]C1 ZINC000269221264 455815735 /nfs/dbraw/zinc/81/57/35/455815735.db2.gz NQBPEAXCZLKJTR-GOSISDBHSA-N 1 0 341.367 3.325 20 5 EGBDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000269295501 455830242 /nfs/dbraw/zinc/83/02/42/455830242.db2.gz POFHTRXDZAOJNQ-ZDUSSCGKSA-N 1 0 344.415 3.070 20 5 EGBDRO CC(C)[NH+]1CCC(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 ZINC000194814623 455885669 /nfs/dbraw/zinc/88/56/69/455885669.db2.gz XICYSQNJZZEDRK-UHFFFAOYSA-N 1 0 347.440 3.412 20 5 EGBDRO Cc1nn(C(C)(C)C)c(C)c1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000270251080 455912888 /nfs/dbraw/zinc/91/28/88/455912888.db2.gz RPPTXTIUCHVNGW-UHFFFAOYSA-N 1 0 330.432 3.495 20 5 EGBDRO C[NH+](C)Cc1cccc(NC(=O)NCCc2cccc([N+](=O)[O-])c2)c1 ZINC000270276043 455918792 /nfs/dbraw/zinc/91/87/92/455918792.db2.gz SPWFTKAAJRENIE-UHFFFAOYSA-N 1 0 342.399 3.021 20 5 EGBDRO CC(C)c1nnc([C@H]2CN([C@@H](C)c3cccc([N+](=O)[O-])c3)CCO2)o1 ZINC000280232319 455923357 /nfs/dbraw/zinc/92/33/57/455923357.db2.gz WDVUMSZNRXSEMC-SWLSCSKDSA-N 1 0 346.387 3.236 20 5 EGBDRO COC(=O)c1csc([C@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)c1 ZINC000286227917 456004098 /nfs/dbraw/zinc/00/40/98/456004098.db2.gz SRJSZSYKLAQFMF-NSHDSACASA-N 1 0 334.397 3.336 20 5 EGBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1nc2ccccc2cc1[N+](=O)[O-] ZINC000286241556 456007259 /nfs/dbraw/zinc/00/72/59/456007259.db2.gz FKSWLDUIVFMWLL-HIFRSBDPSA-N 1 0 326.400 3.206 20 5 EGBDRO O=C(NCCCCCCC[NH+]1CCCC1)Nc1ccncc1[N+](=O)[O-] ZINC000272635047 456020336 /nfs/dbraw/zinc/02/03/36/456020336.db2.gz BIMWHBYZPAFZEU-UHFFFAOYSA-N 1 0 349.435 3.158 20 5 EGBDRO CCS[C@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000286308586 456020983 /nfs/dbraw/zinc/02/09/83/456020983.db2.gz VZYWCTJQKAQDDT-CABCVRRESA-N 1 0 337.445 3.106 20 5 EGBDRO Cc1ccccc1CN(C)C(=O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296745460 456027749 /nfs/dbraw/zinc/02/77/49/456027749.db2.gz PDBLNFVSYBQLNW-HNNXBMFYSA-N 1 0 341.411 3.212 20 5 EGBDRO COc1ccccc1[C@H]1CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000221949171 456045295 /nfs/dbraw/zinc/04/52/95/456045295.db2.gz RGARDTOEAQGRNH-MAUKXSAKSA-N 1 0 342.395 3.126 20 5 EGBDRO C[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)C1=CC[N@H+](C)CC1 ZINC000272898991 456106475 /nfs/dbraw/zinc/10/64/75/456106475.db2.gz INZFOFDLPZPPSM-LLVKDONJSA-N 1 0 345.424 3.190 20 5 EGBDRO Cc1ccnc(N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000301437988 456115154 /nfs/dbraw/zinc/11/51/54/456115154.db2.gz NIZQWLOHZJDOGD-KRWDZBQOSA-N 1 0 340.427 3.399 20 5 EGBDRO O=C(c1cc2ccccc2c2cccnc12)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000289719370 456138539 /nfs/dbraw/zinc/13/85/39/456138539.db2.gz CBJWPKNXSYEJOH-HOTGVXAUSA-N 1 0 331.419 3.070 20 5 EGBDRO COCCO[C@@H]1CC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000188823601 456144852 /nfs/dbraw/zinc/14/48/52/456144852.db2.gz ICPLJODDMFGUMI-MRXNPFEDSA-N 1 0 346.383 3.092 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC(F)(F)[C@H](C)C1 ZINC000289872904 456164076 /nfs/dbraw/zinc/16/40/76/456164076.db2.gz QWYXESBWIISKFU-GFCCVEGCSA-N 1 0 341.358 3.209 20 5 EGBDRO CC[N@@H+]1CCCC[C@H]1CNc1ncc(Br)cc1[N+](=O)[O-] ZINC000301670378 456180837 /nfs/dbraw/zinc/18/08/37/456180837.db2.gz FCGUJBXRIWMIAH-NSHDSACASA-N 1 0 343.225 3.039 20 5 EGBDRO Cc1cccc(C[C@H](CO)[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])c1 ZINC000189005104 456197154 /nfs/dbraw/zinc/19/71/54/456197154.db2.gz SRXLCANGVVZNQP-QKYXPGDISA-N 1 0 326.396 3.110 20 5 EGBDRO CCC(=O)c1ccc(N2CCC[C@@H]2C[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000281426621 456231191 /nfs/dbraw/zinc/23/11/91/456231191.db2.gz JCDDNPNXURYENH-OAHLLOKOSA-N 1 0 331.416 3.252 20 5 EGBDRO COc1cc(NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000301955603 456258440 /nfs/dbraw/zinc/25/84/40/456258440.db2.gz KSBICYCUHCIJJS-RYUDHWBXSA-N 1 0 325.384 3.275 20 5 EGBDRO CC1(C)C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC[C@H]1O ZINC000275697881 456289723 /nfs/dbraw/zinc/28/97/23/456289723.db2.gz BIFALQIEDAYCMZ-QGZVFWFLSA-N 1 0 330.384 3.448 20 5 EGBDRO C[C@H]([NH2+]C1CCN(c2nccs2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000281700121 456297279 /nfs/dbraw/zinc/29/72/79/456297279.db2.gz SPYCXCBBJTXEFW-LBPRGKRZSA-N 1 0 332.429 3.371 20 5 EGBDRO Cc1ccnc(N[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000302186699 456311757 /nfs/dbraw/zinc/31/17/57/456311757.db2.gz VQGAHBHYHZDZIQ-ZBFHGGJFSA-N 1 0 326.400 3.231 20 5 EGBDRO CCC[C@@H](CCO)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000601140026 460727912 /nfs/dbraw/zinc/72/79/12/460727912.db2.gz PLZMSWBFJGMUMA-ZDUSSCGKSA-N 1 0 335.429 3.359 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1NC[C@@H](c1ccco1)[NH+]1CCCC1)CCN2 ZINC000302443207 456343777 /nfs/dbraw/zinc/34/37/77/456343777.db2.gz NOGHHULDZXUMCD-INIZCTEOSA-N 1 0 342.399 3.405 20 5 EGBDRO CC[C@@H]([NH2+]C1CCN(c2cc(C)[nH]n2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000275926191 456352518 /nfs/dbraw/zinc/35/25/18/456352518.db2.gz QQUCONVXRRHDES-QGZVFWFLSA-N 1 0 343.431 3.336 20 5 EGBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000343055246 456375537 /nfs/dbraw/zinc/37/55/37/456375537.db2.gz SJJQCTBAHSNTJI-LLVKDONJSA-N 1 0 335.433 3.132 20 5 EGBDRO CO[C@H]1CCN(Cc2ccc(Br)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000282123034 456418566 /nfs/dbraw/zinc/41/85/66/456418566.db2.gz AWTKYGFZYPBOFR-PWSUYJOCSA-N 1 0 343.221 3.357 20 5 EGBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)N1c2ccccc2C[C@H]1C ZINC000340430915 456456351 /nfs/dbraw/zinc/45/63/51/456456351.db2.gz IJAKDHUEJBXSKN-KGLIPLIRSA-N 1 0 339.395 3.051 20 5 EGBDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000298474243 456467397 /nfs/dbraw/zinc/46/73/97/456467397.db2.gz CSSJGCZZIIMOMI-GFCCVEGCSA-N 1 0 325.434 3.041 20 5 EGBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCC[C@H](C)C1 ZINC000298518439 456479118 /nfs/dbraw/zinc/47/91/18/456479118.db2.gz PHHLRLLIGIPHHZ-NWDGAFQWSA-N 1 0 339.823 3.098 20 5 EGBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCC[C@@H](C)C1 ZINC000298518442 456479227 /nfs/dbraw/zinc/47/92/27/456479227.db2.gz PHHLRLLIGIPHHZ-VXGBXAGGSA-N 1 0 339.823 3.098 20 5 EGBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H](O)c1ccc(F)cc1F ZINC000282442031 456516529 /nfs/dbraw/zinc/51/65/29/456516529.db2.gz LBGWKUBMBFHHAS-KRWDZBQOSA-N 1 0 336.338 3.081 20 5 EGBDRO CC(C)[NH+]1CCC(N(C)C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000298816135 456546765 /nfs/dbraw/zinc/54/67/65/456546765.db2.gz QOESEIDZGRGELC-UHFFFAOYSA-N 1 0 345.399 3.286 20 5 EGBDRO COc1cc(N[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000310217550 456581392 /nfs/dbraw/zinc/58/13/92/456581392.db2.gz WDTBJCRUWJSQNN-MRXNPFEDSA-N 1 0 327.384 3.290 20 5 EGBDRO COc1cc(N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(F)cc1[N+](=O)[O-] ZINC000310752617 456584161 /nfs/dbraw/zinc/58/41/61/456584161.db2.gz ISKCFZGNXVVGCG-CQSZACIVSA-N 1 0 345.374 3.429 20 5 EGBDRO CC[N@H+](C[C@@H](C)OC)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000291326294 456606834 /nfs/dbraw/zinc/60/68/34/456606834.db2.gz VEUUCKOXFGDUCY-VXGBXAGGSA-N 1 0 334.376 3.063 20 5 EGBDRO CC(C)[N@@H+]1CC[C@H](CNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000322979485 456652179 /nfs/dbraw/zinc/65/21/79/456652179.db2.gz YTFHSMLKRJTFCQ-SNVBAGLBSA-N 1 0 332.326 3.151 20 5 EGBDRO COc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000299375614 456673045 /nfs/dbraw/zinc/67/30/45/456673045.db2.gz FZWRAKGUBPOHJN-STQMWFEESA-N 1 0 343.383 3.281 20 5 EGBDRO CCOCCO[C@@H]1CCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000340769797 456676722 /nfs/dbraw/zinc/67/67/22/456676722.db2.gz DEHWSPYQTSPHHA-OAHLLOKOSA-N 1 0 345.399 3.083 20 5 EGBDRO C[NH+](C)[C@H]1CCCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000277197954 456721203 /nfs/dbraw/zinc/72/12/03/456721203.db2.gz VNCGOQAMMRKZBM-LBPRGKRZSA-N 1 0 340.811 3.196 20 5 EGBDRO CO[C@]1(C)C[C@@H]([NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1(C)C ZINC000340855434 456721805 /nfs/dbraw/zinc/72/18/05/456721805.db2.gz XOWPAPBBZQRSEM-CDHAZOANSA-N 1 0 349.431 3.023 20 5 EGBDRO COc1ccc(C[NH2+][C@H]2CCN(c3ccccc3F)C2)cc1[N+](=O)[O-] ZINC000291761218 456747883 /nfs/dbraw/zinc/74/78/83/456747883.db2.gz RLPRDWLDAHWYDH-AWEZNQCLSA-N 1 0 345.374 3.111 20 5 EGBDRO CC(C)(C)OC(=O)NCC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000299641289 456750952 /nfs/dbraw/zinc/75/09/52/456750952.db2.gz QENYVKFQSODAIG-UHFFFAOYSA-N 1 0 349.431 3.332 20 5 EGBDRO C[C@H]([NH2+]CC(=O)N1CCC[C@H]2CCCC[C@H]21)c1cccc([N+](=O)[O-])c1 ZINC000299733962 456776415 /nfs/dbraw/zinc/77/64/15/456776415.db2.gz ZEDGTVAGYRWVMQ-HDMKZQKVSA-N 1 0 345.443 3.427 20 5 EGBDRO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])c2cccnc12)c1ccco1 ZINC000301064734 456787647 /nfs/dbraw/zinc/78/76/47/456787647.db2.gz GFBZEVHOEWATDX-OAHLLOKOSA-N 1 0 326.356 3.451 20 5 EGBDRO CCc1nn(C)c(NC[C@@H]([NH2+][C@H](C)CC)c2ccco2)c1[N+](=O)[O-] ZINC000340972258 456791993 /nfs/dbraw/zinc/79/19/93/456791993.db2.gz PVPYRKMCFHJQFZ-DGCLKSJQSA-N 1 0 335.408 3.025 20 5 EGBDRO O=[N+]([O-])c1ccc(Nc2ccc(CC[NH+]3CCOCC3)cc2)cc1 ZINC000301109725 456798997 /nfs/dbraw/zinc/79/89/97/456798997.db2.gz VNVFUZGDQMRYSF-UHFFFAOYSA-N 1 0 327.384 3.213 20 5 EGBDRO Cc1cc(NCc2nccc(C(F)F)n2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000340986438 456800800 /nfs/dbraw/zinc/80/08/00/456800800.db2.gz ULNHMVXHRDNOBJ-UHFFFAOYSA-N 1 0 345.309 3.213 20 5 EGBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]C2CC(C(F)(F)F)C2)n1 ZINC000348692640 456817726 /nfs/dbraw/zinc/81/77/26/456817726.db2.gz FCOFWXWHORQELL-HCWSGVFWSA-N 1 0 332.326 3.206 20 5 EGBDRO CO[C@@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1(C)C ZINC000344700524 456848902 /nfs/dbraw/zinc/84/89/02/456848902.db2.gz QKEJVPFDQXIDSX-CHWSQXEVSA-N 1 0 330.331 3.099 20 5 EGBDRO CC(C)OCCC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000353698090 456860188 /nfs/dbraw/zinc/86/01/88/456860188.db2.gz KWYCLIJYPFOVHD-UHFFFAOYSA-N 1 0 332.347 3.443 20 5 EGBDRO C[C@@H]([NH2+]Cc1ccc(C[S@@](C)=O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000353809727 456916773 /nfs/dbraw/zinc/91/67/73/456916773.db2.gz BUCVFTFXAFGTMO-JCQPUDPBSA-N 1 0 332.425 3.324 20 5 EGBDRO C[NH+](C)CCN(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CCCC1 ZINC000353841817 456931553 /nfs/dbraw/zinc/93/15/53/456931553.db2.gz DMZZNUZRMSRGNE-UHFFFAOYSA-N 1 0 339.823 3.195 20 5 EGBDRO CN(CC[N@H+](C)C1CC1)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000339096011 456938600 /nfs/dbraw/zinc/93/86/00/456938600.db2.gz LPDKIHCREAMPEB-UHFFFAOYSA-N 1 0 331.338 3.140 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1CN(CC[NH+](C)C)Cc1ccco1 ZINC000349314727 456938797 /nfs/dbraw/zinc/93/87/97/456938797.db2.gz JDUHFISIELGTAR-UHFFFAOYSA-N 1 0 347.415 3.150 20 5 EGBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000339105718 456943174 /nfs/dbraw/zinc/94/31/74/456943174.db2.gz CQWMUXSQNFSWTL-CPUCHLNUSA-N 1 0 346.431 3.464 20 5 EGBDRO CC[N@@H+]1C[C@H](C)N(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C[C@H]1C ZINC000345188911 456960227 /nfs/dbraw/zinc/96/02/27/456960227.db2.gz ITWVOCDUYXYUCG-MNOVXSKESA-N 1 0 329.347 3.115 20 5 EGBDRO CN(C(=O)C[NH2+][C@H](c1cccs1)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000341844184 456968057 /nfs/dbraw/zinc/96/80/57/456968057.db2.gz UHZVBFXGBCVARS-KRWDZBQOSA-N 1 0 345.424 3.360 20 5 EGBDRO CC[C@H](C)C[C@H](CC)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000349685655 457016177 /nfs/dbraw/zinc/01/61/77/457016177.db2.gz OSPKEUQEWBMOOT-KBPBESRZSA-N 1 0 342.461 3.173 20 5 EGBDRO CC[C@@H]([NH2+]CC(=O)N1Cc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000359044950 457048744 /nfs/dbraw/zinc/04/87/44/457048744.db2.gz HUOGITGTLPLKDF-GOSISDBHSA-N 1 0 339.395 3.178 20 5 EGBDRO CCC[NH+]1CCC(N(C)C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000330790673 457086091 /nfs/dbraw/zinc/08/60/91/457086091.db2.gz AWCKNEITGHRQQQ-UHFFFAOYSA-N 1 0 339.823 3.195 20 5 EGBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CC[C@@H](C3CCOCC3)C2)cc1 ZINC000362774485 457087578 /nfs/dbraw/zinc/08/75/78/457087578.db2.gz KGVPCTVAYYJQNQ-MRXNPFEDSA-N 1 0 334.416 3.112 20 5 EGBDRO Cc1cnc(N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000342197301 457163102 /nfs/dbraw/zinc/16/31/02/457163102.db2.gz GMUXLBJPTYMVPO-GOEBONIOSA-N 1 0 326.400 3.373 20 5 EGBDRO C[C@](CO)(C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000342209652 457170294 /nfs/dbraw/zinc/17/02/94/457170294.db2.gz LPKVIRGXMVJNAG-GXVATQTDSA-N 1 0 326.396 3.148 20 5 EGBDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000356870930 457187558 /nfs/dbraw/zinc/18/75/58/457187558.db2.gz DIEGZYBYVZYMQO-JTQLQIEISA-N 1 0 347.337 3.072 20 5 EGBDRO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](CC3CC3)C2)c([N+](=O)[O-])c1 ZINC000339670379 457202990 /nfs/dbraw/zinc/20/29/90/457202990.db2.gz BZHNGDNIJQLJNG-GXTWGEPZSA-N 1 0 347.415 3.052 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](CC2CC2)C1 ZINC000339677050 457207635 /nfs/dbraw/zinc/20/76/35/457207635.db2.gz AGOXXEQHANUQER-AWEZNQCLSA-N 1 0 347.415 3.054 20 5 EGBDRO CN(C(=O)C[N@@H+]1CCCC2(CCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000331589710 457212792 /nfs/dbraw/zinc/21/27/92/457212792.db2.gz PPKBLXCTHJMNIX-UHFFFAOYSA-N 1 0 331.416 3.214 20 5 EGBDRO CCc1nc(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cs1 ZINC000331686586 457230479 /nfs/dbraw/zinc/23/04/79/457230479.db2.gz XSTZSPDUBFAXSZ-QWHCGFSZSA-N 1 0 335.433 3.084 20 5 EGBDRO Cc1nc(C)n(C[C@@H]2CCC[N@@H+]([C@H](C)c3ccccc3[N+](=O)[O-])C2)n1 ZINC000331722390 457238224 /nfs/dbraw/zinc/23/82/24/457238224.db2.gz KFFLKFVHJQHAAI-CZUORRHYSA-N 1 0 343.431 3.276 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H](CO)CC(F)(F)F)o2)cc1 ZINC000339795702 457274702 /nfs/dbraw/zinc/27/47/02/457274702.db2.gz UOYXYBAGJHYHJQ-LLVKDONJSA-N 1 0 344.289 3.258 20 5 EGBDRO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCC[NH+](C)C ZINC000347231911 457301052 /nfs/dbraw/zinc/30/10/52/457301052.db2.gz NQDBZLLNGTWMOR-UHFFFAOYSA-N 1 0 339.461 3.169 20 5 EGBDRO Cn1cc(C[C@@H]2CC[N@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C2)cn1 ZINC000363353931 457302710 /nfs/dbraw/zinc/30/27/10/457302710.db2.gz WTUJQJLQUDAWNJ-LBPRGKRZSA-N 1 0 334.807 3.046 20 5 EGBDRO CC(C)[NH+](CCN(C)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)C(C)C ZINC000347256637 457314687 /nfs/dbraw/zinc/31/46/87/457314687.db2.gz HFCNVQJRZWLCJZ-UHFFFAOYSA-N 1 0 340.399 3.316 20 5 EGBDRO C[C@@H]1C[N@@H+](CCCCNc2c(F)cccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000342501144 457338460 /nfs/dbraw/zinc/33/84/60/457338460.db2.gz AFAHKYLPKLRUFB-BETUJISGSA-N 1 0 325.384 3.035 20 5 EGBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)CC[C@H]1CCCO1 ZINC000342605592 457396371 /nfs/dbraw/zinc/39/63/71/457396371.db2.gz YWHNYQZXBPMNOI-SWLSCSKDSA-N 1 0 346.387 3.207 20 5 EGBDRO C[C@H]1CCCC[N@@H+]1CCCCNc1ncnc2cccc([N+](=O)[O-])c21 ZINC000347401478 457401906 /nfs/dbraw/zinc/40/19/06/457401906.db2.gz CJFSDRPOOJCJBF-AWEZNQCLSA-N 1 0 343.431 3.026 20 5 EGBDRO CC(C)c1ccc(C[N@@H+]2CCC[C@H](n3ccnn3)C2)cc1[N+](=O)[O-] ZINC000425354154 457514892 /nfs/dbraw/zinc/51/48/92/457514892.db2.gz RDMHMFBAGJJMKB-HNNXBMFYSA-N 1 0 329.404 3.147 20 5 EGBDRO CCn1c(C)nc([N+](=O)[O-])c1Nc1cccc(CC[N@H+](C)C2CC2)c1 ZINC000361073675 457563977 /nfs/dbraw/zinc/56/39/77/457563977.db2.gz PTZZGEAPATUUSI-UHFFFAOYSA-N 1 0 343.431 3.500 20 5 EGBDRO CC(C)c1ccc(C[NH2+][C@H]2CCO[C@@]3(CCOC3)C2)cc1[N+](=O)[O-] ZINC000374288685 457570786 /nfs/dbraw/zinc/57/07/86/457570786.db2.gz QUJPZNYPCIQNMW-YJBOKZPZSA-N 1 0 334.416 3.146 20 5 EGBDRO Cc1c(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2cncc(F)c2)cccc1[N+](=O)[O-] ZINC000361135624 457604472 /nfs/dbraw/zinc/60/44/72/457604472.db2.gz MOWQHBGUCDLINR-NWDGAFQWSA-N 1 0 346.362 3.115 20 5 EGBDRO CCc1cnccc1[C@H](C)[NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000361134701 457604625 /nfs/dbraw/zinc/60/46/25/457604625.db2.gz IDUIWNOYJBKITQ-STQMWFEESA-N 1 0 342.399 3.230 20 5 EGBDRO CCc1cnccc1[C@@H](C)[NH2+]CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000361136432 457606827 /nfs/dbraw/zinc/60/68/27/457606827.db2.gz QFSDLEWUJNDVFJ-CYBMUJFWSA-N 1 0 345.399 3.290 20 5 EGBDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000361151059 457614977 /nfs/dbraw/zinc/61/49/77/457614977.db2.gz CMEXHPXRVXFRQE-QWHCGFSZSA-N 1 0 346.456 3.243 20 5 EGBDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000361157114 457619773 /nfs/dbraw/zinc/61/97/73/457619773.db2.gz UVMGYPYODZNHNK-ZIAGYGMSSA-N 1 0 329.400 3.379 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CN(C)Cc2ccccc21 ZINC000364735037 457683259 /nfs/dbraw/zinc/68/32/59/457683259.db2.gz SGHAHNQUSBCHGX-QGZVFWFLSA-N 1 0 340.383 3.211 20 5 EGBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000357821213 457701858 /nfs/dbraw/zinc/70/18/58/457701858.db2.gz VNQFVQFOXFJSIV-UONOGXRCSA-N 1 0 336.436 3.075 20 5 EGBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC(c3cccc(Cl)c3)CC2)c1 ZINC000361466897 457740951 /nfs/dbraw/zinc/74/09/51/457740951.db2.gz GECDXESHQGPQIV-UHFFFAOYSA-N 1 0 334.807 3.324 20 5 EGBDRO C[NH+](C)[C@@H](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000433219155 457782395 /nfs/dbraw/zinc/78/23/95/457782395.db2.gz LJKLNTXMKWZSAH-KRWDZBQOSA-N 1 0 339.395 3.177 20 5 EGBDRO CC(C)O[C@@H]1C[C@@H]([NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000361544462 457785655 /nfs/dbraw/zinc/78/56/55/457785655.db2.gz DWRQPIVBLYUJLL-DAXOMENPSA-N 1 0 349.431 3.104 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C)C[C@H](C)C1 ZINC000443663729 457801382 /nfs/dbraw/zinc/80/13/82/457801382.db2.gz YQRKJUUHQCIETA-RDBSUJKOSA-N 1 0 349.431 3.298 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CC[C@@H]([C@H]4CCOC4)C3)co2)cc1 ZINC000371187321 457820349 /nfs/dbraw/zinc/82/03/49/457820349.db2.gz BIALIJJHXKHYDF-CABCVRRESA-N 1 0 343.383 3.108 20 5 EGBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](CCc3cncs3)CC2)cc1 ZINC000411300575 457853634 /nfs/dbraw/zinc/85/36/34/457853634.db2.gz QKNYHIRBDYJUGY-UHFFFAOYSA-N 1 0 333.413 3.137 20 5 EGBDRO C[C@H](c1cccc(O)c1)[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411370284 457865511 /nfs/dbraw/zinc/86/55/11/457865511.db2.gz NXEHWGVBFREEEQ-CYBMUJFWSA-N 1 0 343.383 3.322 20 5 EGBDRO CCOc1ccc(C[N@H+](CCn2ccc([N+](=O)[O-])n2)C(C)C)cc1 ZINC000358280536 457906965 /nfs/dbraw/zinc/90/69/65/457906965.db2.gz YVZCAKIEOHJEKP-UHFFFAOYSA-N 1 0 332.404 3.101 20 5 EGBDRO CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000411538427 457913949 /nfs/dbraw/zinc/91/39/49/457913949.db2.gz BGIUOLMQJRBSIX-JCGIZDLHSA-N 1 0 347.459 3.325 20 5 EGBDRO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000444773328 457972139 /nfs/dbraw/zinc/97/21/39/457972139.db2.gz RCGAPWWNINNVER-UONOGXRCSA-N 1 0 349.431 3.298 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000445179660 458022823 /nfs/dbraw/zinc/02/28/23/458022823.db2.gz BEXYNHFWYSWLSB-AWEZNQCLSA-N 1 0 333.432 3.145 20 5 EGBDRO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000412008113 458042687 /nfs/dbraw/zinc/04/26/87/458042687.db2.gz KFMVMTDPDPCNIP-HZPDHXFCSA-N 1 0 328.416 3.487 20 5 EGBDRO Cc1c(C[NH2+]C2(CO)C3CC4CC(C3)CC2C4)cccc1[N+](=O)[O-] ZINC000412005835 458042734 /nfs/dbraw/zinc/04/27/34/458042734.db2.gz VFZCFGRWXYJRGN-UHFFFAOYSA-N 1 0 330.428 3.180 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)CCN1CCOC(C)(C)C1 ZINC000435039717 458082952 /nfs/dbraw/zinc/08/29/52/458082952.db2.gz ILVKQGHYVHEXNZ-FOWTUZBSSA-N 1 0 347.459 3.041 20 5 EGBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000458882570 458204524 /nfs/dbraw/zinc/20/45/24/458204524.db2.gz AZLRSMNKIDKIQR-GRDNDAEWSA-N 1 0 348.447 3.170 20 5 EGBDRO CCOC(=O)[C@@H](C)[C@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000358806129 458229368 /nfs/dbraw/zinc/22/93/68/458229368.db2.gz IYSZEWADJITZGU-STQMWFEESA-N 1 0 338.404 3.059 20 5 EGBDRO C[C@@H]1CCCC[N@@H+]1CCNc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000436309717 458287305 /nfs/dbraw/zinc/28/73/05/458287305.db2.gz PKERTHVJCJUOBI-SNVBAGLBSA-N 1 0 332.326 3.295 20 5 EGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCOCc2ccccc2)n1 ZINC000447531300 458305458 /nfs/dbraw/zinc/30/54/58/458305458.db2.gz OTFWSICNDBSOHH-IAGOWNOFSA-N 1 0 344.415 3.081 20 5 EGBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000459271639 458310656 /nfs/dbraw/zinc/31/06/56/458310656.db2.gz WBOGQQPBWGZKHG-NSHDSACASA-N 1 0 340.811 3.102 20 5 EGBDRO O=[N+]([O-])c1ccn(C2CC[NH+](CCc3ccccc3Cl)CC2)n1 ZINC000369691294 458316989 /nfs/dbraw/zinc/31/69/89/458316989.db2.gz DLSJFSOFLNJLLO-UHFFFAOYSA-N 1 0 334.807 3.324 20 5 EGBDRO COC1(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCCCC1 ZINC000447597840 458319405 /nfs/dbraw/zinc/31/94/05/458319405.db2.gz TXCQMXLLKGNTAN-LSDHHAIUSA-N 1 0 336.436 3.214 20 5 EGBDRO C[C@H]1CC[C@@H]([N@H+](C)CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000429585304 458351152 /nfs/dbraw/zinc/35/11/52/458351152.db2.gz JAHAMYFNVBTGHA-QWHCGFSZSA-N 1 0 333.388 3.013 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000459451747 458375860 /nfs/dbraw/zinc/37/58/60/458375860.db2.gz VMUBXGADLAXRPY-CQSZACIVSA-N 1 0 334.420 3.065 20 5 EGBDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429864325 458378740 /nfs/dbraw/zinc/37/87/40/458378740.db2.gz DVAAIZKRUHBLSF-HNNXBMFYSA-N 1 0 347.459 3.253 20 5 EGBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CC3(CCCC3)[C@@H]2c2ccccc2)c1 ZINC000459570569 458414079 /nfs/dbraw/zinc/41/40/79/458414079.db2.gz DRYKNPBLUCWELV-KRWDZBQOSA-N 1 0 326.400 3.409 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000459578752 458417968 /nfs/dbraw/zinc/41/79/68/458417968.db2.gz JADKLZSZDSDPRQ-CYBMUJFWSA-N 1 0 334.420 3.011 20 5 EGBDRO CC[C@H](N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000423502878 458445151 /nfs/dbraw/zinc/44/51/51/458445151.db2.gz FJMVDCYDOLKRKY-GBESFXJTSA-N 1 0 325.412 3.391 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1N[C@H]1CC[N@H+](Cc3ccccc3)C1)CCN2 ZINC000430494642 458454309 /nfs/dbraw/zinc/45/43/09/458454309.db2.gz VQJTYLZDELYZSN-HNNXBMFYSA-N 1 0 338.411 3.249 20 5 EGBDRO CCOC[C@H]1CCCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000459713120 458455061 /nfs/dbraw/zinc/45/50/61/458455061.db2.gz NNRGELAXNZHZEF-MRXNPFEDSA-N 1 0 349.431 3.123 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000459773254 458474595 /nfs/dbraw/zinc/47/45/95/458474595.db2.gz UXXRBCYOUPCNQV-DLJXPNBZSA-N 1 0 330.428 3.481 20 5 EGBDRO C[C@@H]1C[C@@H](c2cccnc2)N(CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000373411698 458485517 /nfs/dbraw/zinc/48/55/17/458485517.db2.gz GVFUKMKDXXEPCS-DYVFJYSZSA-N 1 0 340.383 3.011 20 5 EGBDRO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000430816410 458494263 /nfs/dbraw/zinc/49/42/63/458494263.db2.gz MDMUWJYEFSQPGE-WBVHZDCISA-N 1 0 333.432 3.225 20 5 EGBDRO CNC(=O)c1ccc(C[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)cc1 ZINC000468622450 458528163 /nfs/dbraw/zinc/52/81/63/458528163.db2.gz RFCLVSRNILOHEG-UVTDQMKNSA-N 1 0 339.395 3.148 20 5 EGBDRO Cc1cc(N2CC[C@](CO)(C(C)C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000377981041 458587822 /nfs/dbraw/zinc/58/78/22/458587822.db2.gz DLHKVJPGRJEJBL-SFHVURJKSA-N 1 0 329.400 3.296 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCC(=O)Nc1ccccn1 ZINC000530326546 458747965 /nfs/dbraw/zinc/74/79/65/458747965.db2.gz VJCBTBFNZAKNAL-KAMYIIQDSA-N 1 0 340.383 3.012 20 5 EGBDRO CCC[C@@H]1[C@@H](C)CCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000464739700 458767520 /nfs/dbraw/zinc/76/75/20/458767520.db2.gz PHVGQWSBOZNPEU-XJKSGUPXSA-N 1 0 349.431 3.443 20 5 EGBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@@H+]1CCCC1(C)C ZINC000457057298 458850504 /nfs/dbraw/zinc/85/05/04/458850504.db2.gz OUJIIRYBOGQDRZ-MRXNPFEDSA-N 1 0 347.459 3.154 20 5 EGBDRO C[C@@H]1C[C@@H](NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC000440909535 458863145 /nfs/dbraw/zinc/86/31/45/458863145.db2.gz GDMXSTHHYIMXLQ-TZMCWYRMSA-N 1 0 345.443 3.247 20 5 EGBDRO COC(=O)N1CCC[C@H]([C@@H](C)[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000495555459 458882452 /nfs/dbraw/zinc/88/24/52/458882452.db2.gz FZHPTBDZDOPETD-RDBSUJKOSA-N 1 0 335.404 3.112 20 5 EGBDRO CCC[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000466486668 458901751 /nfs/dbraw/zinc/90/17/51/458901751.db2.gz PIWUAJARVGXRGM-ZIAGYGMSSA-N 1 0 349.431 3.443 20 5 EGBDRO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](CC2CCCCCC2)CC1 ZINC000555742491 458908749 /nfs/dbraw/zinc/90/87/49/458908749.db2.gz RSTQQLNERIJUDD-UHFFFAOYSA-N 1 0 345.443 3.323 20 5 EGBDRO CC(C)NC(=O)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000566474243 458944415 /nfs/dbraw/zinc/94/44/15/458944415.db2.gz GAFFVCXYWGLKDD-CPUCHLNUSA-N 1 0 345.443 3.255 20 5 EGBDRO CCC(C)(C)[C@H]1CCC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000441634596 458965755 /nfs/dbraw/zinc/96/57/55/458965755.db2.gz NDZUVADCQMTVBD-QGZVFWFLSA-N 1 0 345.443 3.385 20 5 EGBDRO COc1cc(C[NH2+][C@@H]2CC[C@H](F)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000519669769 458984452 /nfs/dbraw/zinc/98/44/52/458984452.db2.gz MDLDRFALFZDXNR-WDEREUQCSA-N 1 0 348.321 3.228 20 5 EGBDRO Cc1cc(NCCc2nc3ccccc3[nH]2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000577227344 459001902 /nfs/dbraw/zinc/00/19/02/459001902.db2.gz ZDYJPVXBUNAMNS-UHFFFAOYSA-N 1 0 347.378 3.404 20 5 EGBDRO C[C@H](C[NH+]1CCCCC1)NCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000519835858 459015181 /nfs/dbraw/zinc/01/51/81/459015181.db2.gz YPXUCCGVDOZPAK-GFCCVEGCSA-N 1 0 343.374 3.160 20 5 EGBDRO C[NH+](C)Cc1ccccc1NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000556940616 459035554 /nfs/dbraw/zinc/03/55/54/459035554.db2.gz DFCXZKXVLAYYQY-UHFFFAOYSA-N 1 0 343.383 3.064 20 5 EGBDRO CCC(CC)[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000557215202 459057457 /nfs/dbraw/zinc/05/74/57/459057457.db2.gz NUMCVIXBLRBDQQ-UHFFFAOYSA-N 1 0 331.416 3.137 20 5 EGBDRO C[C@H](c1ccccc1)[C@H](CO)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594498239 459061638 /nfs/dbraw/zinc/06/16/38/459061638.db2.gz ICFHUSFKVKDNOB-XWIAVFTESA-N 1 0 326.396 3.336 20 5 EGBDRO CN1CCO[C@@H](CSc2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000521230653 459133989 /nfs/dbraw/zinc/13/39/89/459133989.db2.gz LLEGLAKZHZLCHM-SECBINFHSA-N 1 0 337.228 3.324 20 5 EGBDRO CC[NH+](CC)[C@H](CNc1c(Cl)cncc1[N+](=O)[O-])c1ccco1 ZINC000590575719 459152790 /nfs/dbraw/zinc/15/27/90/459152790.db2.gz RGDHFHDUQQJXSB-GFCCVEGCSA-N 1 0 338.795 3.153 20 5 EGBDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC000590659611 459173478 /nfs/dbraw/zinc/17/34/78/459173478.db2.gz YHRKYBHIGWBWJG-KRWDZBQOSA-N 1 0 340.427 3.435 20 5 EGBDRO CC1(C)[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@@H]2CCCO[C@H]21 ZINC000590756329 459206548 /nfs/dbraw/zinc/20/65/48/459206548.db2.gz OJZNKOGQWPFWHW-IUIKQTSFSA-N 1 0 331.372 3.029 20 5 EGBDRO COc1ccc(NC(=O)C[NH2+][C@@H]2CCC(C)(C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000481085906 459232438 /nfs/dbraw/zinc/23/24/38/459232438.db2.gz BGQJYPPQWRXRBE-TZMCWYRMSA-N 1 0 349.431 3.346 20 5 EGBDRO C[C@H]([NH2+]Cc1cccnc1N1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000595071121 459237374 /nfs/dbraw/zinc/23/73/74/459237374.db2.gz PFSUBVJWHJPKST-AWEZNQCLSA-N 1 0 326.400 3.441 20 5 EGBDRO O=[N+]([O-])c1cc(F)ccc1CN1CCC[N@H+](Cc2ccccc2)CC1 ZINC000595289511 459267640 /nfs/dbraw/zinc/26/76/40/459267640.db2.gz SSWSYPCCFSTTTP-UHFFFAOYSA-N 1 0 343.402 3.442 20 5 EGBDRO C[NH+](C)Cc1ccccc1NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000591018703 459293766 /nfs/dbraw/zinc/29/37/66/459293766.db2.gz CAIOEXHFDIUSDC-DLBZAZTESA-N 1 0 339.395 3.399 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CC[C@H](C4CCC4)C3)n2)cc1 ZINC000591063215 459302782 /nfs/dbraw/zinc/30/27/82/459302782.db2.gz KMIFJFPENKHPAC-AWEZNQCLSA-N 1 0 328.372 3.267 20 5 EGBDRO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@H](C3CCC3)C2)c([N+](=O)[O-])c1 ZINC000591062059 459302877 /nfs/dbraw/zinc/30/28/77/459302877.db2.gz TVNDQYCXJATGHV-AWEZNQCLSA-N 1 0 347.415 3.054 20 5 EGBDRO Cc1c(NC(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000591272252 459344941 /nfs/dbraw/zinc/34/49/41/459344941.db2.gz PUURKVZJAIQPKA-CABCVRRESA-N 1 0 346.431 3.147 20 5 EGBDRO [NH3+]Cc1cccc(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000591309878 459350371 /nfs/dbraw/zinc/35/03/71/459350371.db2.gz LFZBTROQSOCGMF-UHFFFAOYSA-N 1 0 340.383 3.250 20 5 EGBDRO CC(C)(C)c1ccc(NC(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)cc1[N+](=O)[O-] ZINC000591306222 459350433 /nfs/dbraw/zinc/35/04/33/459350433.db2.gz PFIFYAVMDYSVFQ-WFASDCNBSA-N 1 0 346.431 3.108 20 5 EGBDRO CC(C)(C)[C@@H]1CCC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000483248208 459353450 /nfs/dbraw/zinc/35/34/50/459353450.db2.gz DRDWWMRZXPNNCL-OAHLLOKOSA-N 1 0 345.443 3.242 20 5 EGBDRO CC(C)[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccc(F)cn1 ZINC000540921855 459404171 /nfs/dbraw/zinc/40/41/71/459404171.db2.gz IXCWHFMSFJYEDD-QGZVFWFLSA-N 1 0 333.363 3.495 20 5 EGBDRO CC[NH2+]Cc1ccccc1NC(=O)c1cc(OCC)ccc1[N+](=O)[O-] ZINC000591681473 459421090 /nfs/dbraw/zinc/42/10/90/459421090.db2.gz ORGPPFKOEWUCNF-UHFFFAOYSA-N 1 0 343.383 3.355 20 5 EGBDRO CC[C@@H]1CC[C@@H](C)[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000595784567 459438405 /nfs/dbraw/zinc/43/84/05/459438405.db2.gz RUYKQNPXJOKNMY-ZIAGYGMSSA-N 1 0 347.415 3.403 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000595792326 459443969 /nfs/dbraw/zinc/44/39/69/459443969.db2.gz ZNKFZYKCJNCVJK-KSSFIOAISA-N 1 0 334.416 3.385 20 5 EGBDRO C[C@@H]1CC[N@H+](C)CCN1c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000485396461 459452506 /nfs/dbraw/zinc/45/25/06/459452506.db2.gz WHXADYNTNSZSFT-CYBMUJFWSA-N 1 0 344.390 3.326 20 5 EGBDRO CCC[C@H](C)[C@H]1CCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000486790303 459521870 /nfs/dbraw/zinc/52/18/70/459521870.db2.gz WKUYFSSSEHSNNS-YXJHDRRASA-N 1 0 336.432 3.235 20 5 EGBDRO COc1cc(C[N@@H+]2CC3(C[C@H]2C)CCOCC3)c([N+](=O)[O-])cc1F ZINC000592184435 459544267 /nfs/dbraw/zinc/54/42/67/459544267.db2.gz PYMGYABVVNRMRY-GFCCVEGCSA-N 1 0 338.379 3.134 20 5 EGBDRO C[C@@H]1CC2(C[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1)CCOCC2 ZINC000592182652 459544496 /nfs/dbraw/zinc/54/44/96/459544496.db2.gz NUEUZIKJCPKTEL-OAHLLOKOSA-N 1 0 334.416 3.255 20 5 EGBDRO CC[N@H+](CCSC)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000592201357 459549647 /nfs/dbraw/zinc/54/96/47/459549647.db2.gz RQHAEOGIMLLDGJ-LLVKDONJSA-N 1 0 336.417 3.391 20 5 EGBDRO CC[NH+](CC)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1C)CC(C)C ZINC000498053533 459566326 /nfs/dbraw/zinc/56/63/26/459566326.db2.gz GPEKMODCRYNVOE-MRXNPFEDSA-N 1 0 335.448 3.390 20 5 EGBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000498070503 459567982 /nfs/dbraw/zinc/56/79/82/459567982.db2.gz VIBOXFRAJUWZIR-AWEZNQCLSA-N 1 0 347.459 3.354 20 5 EGBDRO CC[C@@H](C)[NH2+][C@H](CNc1c(Cl)cncc1[N+](=O)[O-])c1ccco1 ZINC000596231278 459568048 /nfs/dbraw/zinc/56/80/48/459568048.db2.gz PCUZGRILFKVRSW-ZYHUDNBSSA-N 1 0 338.795 3.199 20 5 EGBDRO CC[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)NCc1cccs1 ZINC000592396764 459590842 /nfs/dbraw/zinc/59/08/42/459590842.db2.gz RAOTXPNOMMYJEI-BLLLJJGKSA-N 1 0 347.440 3.402 20 5 EGBDRO CC(C)[C@H]1CN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[NH2+]1 ZINC000592432529 459600158 /nfs/dbraw/zinc/60/01/58/459600158.db2.gz PIZQIKLQEDKFLC-MRXNPFEDSA-N 1 0 346.456 3.148 20 5 EGBDRO CC1(C)CN(CCOc2ccccc2[N+](=O)[O-])[C@H]1c1cccnc1 ZINC000596595435 459689479 /nfs/dbraw/zinc/68/94/79/459689479.db2.gz ZZIGQYSBYPHHCG-KRWDZBQOSA-N 1 0 327.384 3.452 20 5 EGBDRO Cc1nnc([C@H](C)NCc2cc([N+](=O)[O-])ccc2C(F)(F)F)o1 ZINC000573581584 459700488 /nfs/dbraw/zinc/70/04/88/459700488.db2.gz JPIYRBVDBZXZOU-ZETCQYMHSA-N 1 0 330.266 3.156 20 5 EGBDRO O=C(CC[NH2+][C@@H]1CC[C@H]2CCC[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000574271457 459799689 /nfs/dbraw/zinc/79/96/89/459799689.db2.gz UVPFCNPPFRGGOG-RBSFLKMASA-N 1 0 331.416 3.482 20 5 EGBDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cc4ccncc4s3)CC2)n1 ZINC000597116060 459840766 /nfs/dbraw/zinc/84/07/66/459840766.db2.gz CVURPSZLMAXNGR-UHFFFAOYSA-N 1 0 343.412 3.238 20 5 EGBDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000598260389 459842167 /nfs/dbraw/zinc/84/21/67/459842167.db2.gz BPJWUOALCSXZGE-GFCCVEGCSA-N 1 0 339.823 3.098 20 5 EGBDRO C[C@@H]1C[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@]1(C)CO ZINC000597237412 459888963 /nfs/dbraw/zinc/88/89/63/459888963.db2.gz ZXUZQZMURUXKJE-FZKQIMNGSA-N 1 0 330.384 3.305 20 5 EGBDRO C[C@@H]1C[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@]1(C)CO ZINC000597237411 459888976 /nfs/dbraw/zinc/88/89/76/459888976.db2.gz ZXUZQZMURUXKJE-ACJLOTCBSA-N 1 0 330.384 3.305 20 5 EGBDRO CC(C)(C)C(=O)N1CCC([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000608835966 459889147 /nfs/dbraw/zinc/88/91/47/459889147.db2.gz DCMUGRFEWBFJEP-VURMDHGXSA-N 1 0 345.443 3.235 20 5 EGBDRO C[NH+](C)C[C@@H](CNc1cccnc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000593478408 459900458 /nfs/dbraw/zinc/90/04/58/459900458.db2.gz ZGUBRXLKRMZDIS-CYBMUJFWSA-N 1 0 334.807 3.401 20 5 EGBDRO C[N@@H+](Cc1cc(Br)c([N+](=O)[O-])s1)CC1CCOCC1 ZINC000602477376 459958413 /nfs/dbraw/zinc/95/84/13/459958413.db2.gz VBZAYFHUKJWGCP-UHFFFAOYSA-N 1 0 349.250 3.277 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]Cc3ccc(Cl)cc3)CC2)cn1 ZINC000602503781 459970939 /nfs/dbraw/zinc/97/09/39/459970939.db2.gz QYBQRFNVBKLGBF-UHFFFAOYSA-N 1 0 346.818 3.402 20 5 EGBDRO CCC(=O)Nc1cccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000602516768 459979089 /nfs/dbraw/zinc/97/90/89/459979089.db2.gz QREFYIBNNHOFQB-UHFFFAOYSA-N 1 0 327.384 3.276 20 5 EGBDRO C[C@H]1CCC[C@@H](C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000602521498 459981367 /nfs/dbraw/zinc/98/13/67/459981367.db2.gz CCSYKIPZFGVXHR-LSDHHAIUSA-N 1 0 332.448 3.375 20 5 EGBDRO COc1ccc2[nH]cc(CC[NH2+]Cc3ccccc3[N+](=O)[O-])c2c1 ZINC000609600600 459991475 /nfs/dbraw/zinc/99/14/75/459991475.db2.gz KTDSFUGFUNVIRG-UHFFFAOYSA-N 1 0 325.368 3.417 20 5 EGBDRO Cc1cc(NC[C@@H]2COc3ccccc32)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000588861171 459993958 /nfs/dbraw/zinc/99/39/58/459993958.db2.gz PBZDVSNZLRZDQX-CYBMUJFWSA-N 1 0 335.363 3.461 20 5 EGBDRO C[C@@H]1C[C@H](NCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000602569128 460001079 /nfs/dbraw/zinc/00/10/79/460001079.db2.gz NQEBYTMYCRFXKJ-MFKMUULPSA-N 1 0 343.349 3.328 20 5 EGBDRO C[C@H]1C[C@@H](NCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000602569127 460001248 /nfs/dbraw/zinc/00/12/48/460001248.db2.gz NQEBYTMYCRFXKJ-GXFFZTMASA-N 1 0 343.349 3.328 20 5 EGBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]CCSCC(F)(F)F)nc2c1 ZINC000602577144 460005902 /nfs/dbraw/zinc/00/59/02/460005902.db2.gz SZAOXFISRZXQRJ-UHFFFAOYSA-N 1 0 335.307 3.121 20 5 EGBDRO C[C@@H](O)[C@@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602590822 460014140 /nfs/dbraw/zinc/01/41/40/460014140.db2.gz JCVNOQYWURFZRH-GHMZBOCLSA-N 1 0 332.322 3.206 20 5 EGBDRO C[C@@H]1CC[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C[C@@H]1C ZINC000602611544 460022059 /nfs/dbraw/zinc/02/20/59/460022059.db2.gz FRHWVNLCYGEMDH-YCPHGPKFSA-N 1 0 332.448 3.373 20 5 EGBDRO C[C@]1(O)CCC[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602650942 460043807 /nfs/dbraw/zinc/04/38/07/460043807.db2.gz TYIHDQCLXQUCPD-AWEZNQCLSA-N 1 0 332.322 3.351 20 5 EGBDRO CC[C@@H]1CCC[C@@H]1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602679985 460061361 /nfs/dbraw/zinc/06/13/61/460061361.db2.gz MUNLBLOYEOMDFO-HUUCEWRRSA-N 1 0 332.448 3.375 20 5 EGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@H]2Cc3ccccc32)n1 ZINC000618568264 460064295 /nfs/dbraw/zinc/06/42/95/460064295.db2.gz ZZFCDAXQNIHSIL-DJIMGWMZSA-N 1 0 326.400 3.205 20 5 EGBDRO CC(C)O[C@H]1C[C@@H]([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602689348 460066612 /nfs/dbraw/zinc/06/66/12/460066612.db2.gz CQPQYXFNDOWETR-DTORHVGOSA-N 1 0 349.250 3.464 20 5 EGBDRO CCC[N@H+](CCOc1cccc([N+](=O)[O-])c1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000610133288 460067812 /nfs/dbraw/zinc/06/78/12/460067812.db2.gz AASBNWMUHUMZBU-KZNAEPCWSA-N 1 0 348.443 3.499 20 5 EGBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]C2CCCC2)c1 ZINC000589309513 460069940 /nfs/dbraw/zinc/06/99/40/460069940.db2.gz MPQQQZZNQUDMCK-UHFFFAOYSA-N 1 0 346.168 3.232 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCCN1CC(F)F)CCC2 ZINC000599066598 460149220 /nfs/dbraw/zinc/14/92/20/460149220.db2.gz SVIIGRPLUQATDX-GDBMZVCRSA-N 1 0 339.386 3.291 20 5 EGBDRO CC[C@@H]([NH2+][C@H]1Cc2ccccc2NC1=O)c1cccc([N+](=O)[O-])c1 ZINC000599075304 460153481 /nfs/dbraw/zinc/15/34/81/460153481.db2.gz UHCPKIOICSLJRK-WBVHZDCISA-N 1 0 325.368 3.199 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](CCO)CCc1ccccc1 ZINC000610476414 460160137 /nfs/dbraw/zinc/16/01/37/460160137.db2.gz XETKHABJDZCELC-UHFFFAOYSA-N 1 0 344.411 3.031 20 5 EGBDRO O=[N+]([O-])c1sccc1N1CCC([NH2+]CCOc2ccccc2)CC1 ZINC000610550359 460183268 /nfs/dbraw/zinc/18/32/68/460183268.db2.gz AUVWDOQHGKHOSD-UHFFFAOYSA-N 1 0 347.440 3.294 20 5 EGBDRO Cc1ncc([C@@H](C)[NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)s1 ZINC000602957911 460201554 /nfs/dbraw/zinc/20/15/54/460201554.db2.gz WDXBQTTYZIHYOW-SNVBAGLBSA-N 1 0 334.401 3.039 20 5 EGBDRO CCOc1cc(C[N@@H+]2CC[C@H](O)[C@H]3CCCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000602997427 460215158 /nfs/dbraw/zinc/21/51/58/460215158.db2.gz JPVQNBLFASHBRA-ZOBUZTSGSA-N 1 0 334.416 3.119 20 5 EGBDRO CCOC(=O)c1cc(N[C@@H](CC)C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000610715931 460224171 /nfs/dbraw/zinc/22/41/71/460224171.db2.gz GRRBCDOKAAJDSU-ZDUSSCGKSA-N 1 0 335.404 3.058 20 5 EGBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000610721053 460225856 /nfs/dbraw/zinc/22/58/56/460225856.db2.gz PCKVMDHQHAAUMP-ZBFHGGJFSA-N 1 0 348.447 3.138 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C1CCN(CC(F)F)CC1 ZINC000610806978 460240188 /nfs/dbraw/zinc/24/01/88/460240188.db2.gz MEQUUUGXGNVJLH-GFCCVEGCSA-N 1 0 327.375 3.283 20 5 EGBDRO CC[N@H+](C[C@@H]1CCOC1)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000611204927 460308006 /nfs/dbraw/zinc/30/80/06/460308006.db2.gz AXXNXFBCELXFQL-STQMWFEESA-N 1 0 346.387 3.064 20 5 EGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1cc(C)ncn1 ZINC000611337267 460339693 /nfs/dbraw/zinc/33/96/93/460339693.db2.gz NNNJGYAMOMTZNJ-ZDUSSCGKSA-N 1 0 332.429 3.354 20 5 EGBDRO CC[C@@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000611433801 460364316 /nfs/dbraw/zinc/36/43/16/460364316.db2.gz WISLIDGJVYHXQP-SJLPKXTDSA-N 1 0 336.432 3.283 20 5 EGBDRO O=C1[C@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCN1C1CCCCC1 ZINC000611442643 460366441 /nfs/dbraw/zinc/36/64/41/460366441.db2.gz MWMMRXFJXTWRNS-BQLWYNFJSA-N 1 0 343.427 3.131 20 5 EGBDRO Cc1cc(N2CCC[C@H]([NH2+]C(C)C)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000611444746 460367145 /nfs/dbraw/zinc/36/71/45/460367145.db2.gz YNZKRIYOZLTAJW-AWEZNQCLSA-N 1 0 328.416 3.418 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCN(c2cc[nH+]cc2)CC1 ZINC000611516355 460384281 /nfs/dbraw/zinc/38/42/81/460384281.db2.gz LHADSLKKRLHNMT-HNNXBMFYSA-N 1 0 326.400 3.181 20 5 EGBDRO CC(C)[C@H](C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])c1ccnn1C ZINC000615943326 460433586 /nfs/dbraw/zinc/43/35/86/460433586.db2.gz AQBCJXLRPLGWMK-IOBAAEILSA-N 1 0 328.416 3.371 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C)c1ccsc1 ZINC000619782878 460442993 /nfs/dbraw/zinc/44/29/93/460442993.db2.gz MYGRZTMDUWXZNV-NSHDSACASA-N 1 0 349.412 3.344 20 5 EGBDRO C[N@@H+]1CC[C@@H]2CN(c3ccc([N+](=O)[O-])c(C(F)(F)F)c3)C[C@@H]2C1 ZINC000601185188 460743457 /nfs/dbraw/zinc/74/34/57/460743457.db2.gz QQPBIYKWFBFNHN-MNOVXSKESA-N 1 0 329.322 3.002 20 5 EGBDRO CC[C@H]([NH2+]C[C@@H](n1cncn1)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000601295367 460779413 /nfs/dbraw/zinc/77/94/13/460779413.db2.gz VBNDKHNLFKPIKW-QWHCGFSZSA-N 1 0 343.309 3.031 20 5 EGBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]Cc2cccc(F)c2F)n1 ZINC000601302095 460781838 /nfs/dbraw/zinc/78/18/38/460781838.db2.gz GCWICUDBXMWARZ-KGLIPLIRSA-N 1 0 336.342 3.343 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000601564235 460834817 /nfs/dbraw/zinc/83/48/17/460834817.db2.gz JEWFVAMCRZTSGO-CYBMUJFWSA-N 1 0 334.420 3.111 20 5 EGBDRO CC(C)[C@H]1CN(C(=O)c2cc3ccccc3c3cccnc23)CC[NH2+]1 ZINC000621152247 460917286 /nfs/dbraw/zinc/91/72/86/460917286.db2.gz SKKRULVMTCQULZ-LJQANCHMSA-N 1 0 333.435 3.458 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)s1 ZINC000601976892 460968854 /nfs/dbraw/zinc/96/88/54/460968854.db2.gz PVKIRQQVRQEFJK-BETUJISGSA-N 1 0 330.409 3.402 20 5 EGBDRO CC1(C)CCC[N@H+](CCNc2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000618175372 469912966 /nfs/dbraw/zinc/91/29/66/469912966.db2.gz XCKOWGBUVHBHDR-UHFFFAOYSA-N 1 0 329.404 3.072 20 5 EGBDRO COc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000181814765 534082244 /nfs/dbraw/zinc/08/22/44/534082244.db2.gz RBQKFJHNPWLMFI-ZDUSSCGKSA-N 1 0 343.383 3.201 20 5 EGBDRO CCN(CCC[NH+]1CCCC1)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000190133540 528447077 /nfs/dbraw/zinc/44/70/77/528447077.db2.gz KOQRMRRADSIPPT-HNNXBMFYSA-N 1 0 348.447 3.173 20 5 EGBDRO CC(C)C[NH+]1CCC(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000265784858 535067583 /nfs/dbraw/zinc/06/75/83/535067583.db2.gz KNFQNFHTACGJST-UHFFFAOYSA-N 1 0 347.459 3.109 20 5 EGBDRO CCc1nn(C)c(NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000354560791 536181500 /nfs/dbraw/zinc/18/15/00/536181500.db2.gz LNVADPOUERAZJA-ZIAGYGMSSA-N 1 0 337.468 3.061 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000067661828 546567412 /nfs/dbraw/zinc/56/74/12/546567412.db2.gz YUMRMNARXXZARW-CQSZACIVSA-N 1 0 334.420 3.145 20 5 EGBDRO Cc1cccc([C@@H](C)[NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])c1C ZINC000183707685 547101462 /nfs/dbraw/zinc/10/14/62/547101462.db2.gz UJACGAZCJORRIK-CYBMUJFWSA-N 1 0 327.384 3.161 20 5 EGBDRO CC(C)C[N@@H+]1CCO[C@H](CNc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000216733445 576111301 /nfs/dbraw/zinc/11/13/01/576111301.db2.gz LEBZJUWCLIJFNQ-CYBMUJFWSA-N 1 0 327.812 3.017 20 5 EGBDRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000738516092 576333440 /nfs/dbraw/zinc/33/34/40/576333440.db2.gz MIEMTMUVTFCEMQ-UHFFFAOYSA-N 1 0 345.374 3.068 20 5 EGBDRO CN(C[C@@H]1CCC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000741242575 576668301 /nfs/dbraw/zinc/66/83/01/576668301.db2.gz PVZBPJPSYXDSFV-LLVKDONJSA-N 1 0 331.338 3.392 20 5 EGBDRO C[C@@H]1CCC[C@@H](C)[NH+]1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000009998061 1291111281 /nfs/dbraw/zinc/11/12/81/1291111281.db2.gz HYRDAYJRQBHLSL-GHMZBOCLSA-N 1 0 325.796 3.450 20 5 EGBDRO C[C@H](Nc1ccc(Br)cc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000050163927 1291640256 /nfs/dbraw/zinc/64/02/56/1291640256.db2.gz JOTMVZPVODOONC-UWVGGRQHSA-N 1 0 328.210 3.157 20 5 EGBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000075985231 1292417008 /nfs/dbraw/zinc/41/70/08/1292417008.db2.gz BIQMSWWJONAGHI-LLVKDONJSA-N 1 0 340.811 3.244 20 5 EGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)C[C@]1(O)CCc2ccccc21 ZINC000829337808 1292563669 /nfs/dbraw/zinc/56/36/69/1292563669.db2.gz MEVDNSSYKLRRKZ-IFXJQAMLSA-N 1 0 326.396 3.422 20 5 EGBDRO C[C@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 ZINC000830160719 1292675777 /nfs/dbraw/zinc/67/57/77/1292675777.db2.gz FAMUDNMMXIQSCL-LBPRGKRZSA-N 1 0 331.328 3.233 20 5 EGBDRO CC[C@H](CSC)[N@H+](C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000091099513 1292817624 /nfs/dbraw/zinc/81/76/24/1292817624.db2.gz YRBAFBYDQNWVMQ-LLVKDONJSA-N 1 0 345.852 3.260 20 5 EGBDRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000832503236 1293017015 /nfs/dbraw/zinc/01/70/15/1293017015.db2.gz VQEZKZXFTJBXOV-VXGBXAGGSA-N 1 0 346.214 3.114 20 5 EGBDRO Cc1cc(-c2noc(CCCC[NH+]3CCCC3)n2)cc([N+](=O)[O-])c1 ZINC000834850257 1293157172 /nfs/dbraw/zinc/15/71/72/1293157172.db2.gz KWCDHNNEKLHJEX-UHFFFAOYSA-N 1 0 330.388 3.372 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)CCNC(=O)OC(C)(C)C ZINC000835076845 1293202277 /nfs/dbraw/zinc/20/22/77/1293202277.db2.gz DZJMYPAYAIATPR-SDNWHVSQSA-N 1 0 349.431 3.455 20 5 EGBDRO CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000122345586 1293408780 /nfs/dbraw/zinc/40/87/80/1293408780.db2.gz CQOVBJZWCBQUFG-HOTGVXAUSA-N 1 0 349.431 3.173 20 5 EGBDRO C[N@H+](CCCCNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CC1 ZINC000836202751 1293458988 /nfs/dbraw/zinc/45/89/88/1293458988.db2.gz MGNVCLMSUMCLJU-UHFFFAOYSA-N 1 0 340.811 3.244 20 5 EGBDRO C[NH+]1CCC(CCNC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000130886755 1293671658 /nfs/dbraw/zinc/67/16/58/1293671658.db2.gz WHRZUVITOSCAQL-UHFFFAOYSA-N 1 0 340.811 3.102 20 5 EGBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](CCCCCCCO)CC2)cc1 ZINC000174248233 1294489962 /nfs/dbraw/zinc/48/99/62/1294489962.db2.gz FSFPKQRATGNBRA-UHFFFAOYSA-N 1 0 336.432 3.381 20 5 EGBDRO Cc1cc(F)cc(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000176165362 1294593087 /nfs/dbraw/zinc/59/30/87/1294593087.db2.gz RFMJORZXFMTSIQ-MRXNPFEDSA-N 1 0 345.374 3.075 20 5 EGBDRO Cc1cc(F)cc(C(=O)N2CCC[N@@H+](C3CCCC3)CC2)c1[N+](=O)[O-] ZINC000177166297 1294656394 /nfs/dbraw/zinc/65/63/94/1294656394.db2.gz DXYQRKSHIPONGX-UHFFFAOYSA-N 1 0 349.406 3.133 20 5 EGBDRO Cc1ccc(N2CC[C@H]([NH2+][C@@H](C)c3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000178658764 1294748751 /nfs/dbraw/zinc/74/87/51/1294748751.db2.gz SGGJDEOXASRESK-KSSFIOAISA-N 1 0 339.395 3.359 20 5 EGBDRO O=[N+]([O-])c1ccc(F)cc1CN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000179178770 1294777085 /nfs/dbraw/zinc/77/70/85/1294777085.db2.gz KEBHSPLEAFBSSB-CXAGYDPISA-N 1 0 333.407 3.183 20 5 EGBDRO CC[C@@H]([NH2+]C[C@@]1(O)CCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000181672608 1294984348 /nfs/dbraw/zinc/98/43/48/1294984348.db2.gz QUBMEROJUUAKFQ-MOPGFXCFSA-N 1 0 326.396 3.470 20 5 EGBDRO C[N@@H+]1CCC[C@H](CNc2cccc(Br)c2[N+](=O)[O-])C1 ZINC000311705036 1297110674 /nfs/dbraw/zinc/11/06/74/1297110674.db2.gz MRNOSCFULHWPJX-SNVBAGLBSA-N 1 0 328.210 3.111 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H]1CCN(CC(F)(F)F)C1 ZINC000873014382 1297224108 /nfs/dbraw/zinc/22/41/08/1297224108.db2.gz PQQSBFNXOYYKQK-CYBMUJFWSA-N 1 0 345.365 3.185 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H]1CCO[C@]2(CCSC2)C1 ZINC000873081548 1297263636 /nfs/dbraw/zinc/26/36/36/1297263636.db2.gz JUPAEHBQTQDFND-RHSMWYFYSA-N 1 0 336.457 3.356 20 5 EGBDRO Cc1c(C[NH2+]C[C@]2(CO)C[C@H]2c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000873114600 1297276227 /nfs/dbraw/zinc/27/62/27/1297276227.db2.gz MHRFPMLYBLFYIG-HKUYNNGSSA-N 1 0 344.386 3.298 20 5 EGBDRO Cc1c(C[NH2+]Cc2cccnc2N2CCCC2)cccc1[N+](=O)[O-] ZINC000873136015 1297292198 /nfs/dbraw/zinc/29/21/98/1297292198.db2.gz SAXJHIKBDIFHNL-UHFFFAOYSA-N 1 0 326.400 3.188 20 5 EGBDRO CC[C@@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)[C@H](O)c1ccccc1 ZINC000873193519 1297338082 /nfs/dbraw/zinc/33/80/82/1297338082.db2.gz LHUZILKUYIAQRY-CRAIPNDOSA-N 1 0 330.384 3.205 20 5 EGBDRO CCCCNC(=O)C1CC[NH+](Cc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000876582818 1298847032 /nfs/dbraw/zinc/84/70/32/1298847032.db2.gz AYKCFGGNMYEZMU-UHFFFAOYSA-N 1 0 347.459 3.340 20 5 EGBDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000749603984 1299244171 /nfs/dbraw/zinc/24/41/71/1299244171.db2.gz WOTBOMSJIMIMMZ-DVESRUBUSA-N 1 0 345.443 3.379 20 5 EGBDRO O=[N+]([O-])c1ccc2oc(=S)n(C[N@@H+]3CC[C@H]([C@H]4CCOC4)C3)c2c1 ZINC000749796769 1299274193 /nfs/dbraw/zinc/27/41/93/1299274193.db2.gz IYGUQTOLXREUNL-RYUDHWBXSA-N 1 0 349.412 3.188 20 5 EGBDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000750052461 1299330931 /nfs/dbraw/zinc/33/09/31/1299330931.db2.gz BOPDRVHGIPHOSM-GOSISDBHSA-N 1 0 343.402 3.440 20 5 EGBDRO C[C@@]1([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCCc2ccccc21 ZINC000750096420 1299336778 /nfs/dbraw/zinc/33/67/78/1299336778.db2.gz NXWKZJRRIXKJCA-RTBURBONSA-N 1 0 326.396 3.470 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@H]2c2ccc(O)cc2)c1 ZINC000750096922 1299336949 /nfs/dbraw/zinc/33/69/49/1299336949.db2.gz SLNUQXZBTGISEW-ZWKOTPCHSA-N 1 0 328.368 3.171 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@@H]2c2ccc(O)cc2)c1 ZINC000750096920 1299337044 /nfs/dbraw/zinc/33/70/44/1299337044.db2.gz SLNUQXZBTGISEW-QZTJIDSGSA-N 1 0 328.368 3.171 20 5 EGBDRO CCOC(=O)C1CCC([NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000877717346 1299503203 /nfs/dbraw/zinc/50/32/03/1299503203.db2.gz IVQGETGMIFLUAT-UHFFFAOYSA-N 1 0 334.416 3.423 20 5 EGBDRO CC[C@@H](C)C[N@H+](CC)CN1CCN(c2ccccc2[N+](=O)[O-])C1=O ZINC000752792246 1299795789 /nfs/dbraw/zinc/79/57/89/1299795789.db2.gz LMETXPZHGKYMGH-CQSZACIVSA-N 1 0 334.420 3.162 20 5 EGBDRO Cc1csc([C@@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C2CC2)n1 ZINC000754201887 1300105733 /nfs/dbraw/zinc/10/57/33/1300105733.db2.gz ZSUYPRLVRYCBBJ-GJZGRUSLSA-N 1 0 333.413 3.134 20 5 EGBDRO Cc1ccc(C[N@H+]2C[C@H](c3cnn(C)c3)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000878658264 1300130712 /nfs/dbraw/zinc/13/07/12/1300130712.db2.gz XAIPHNPSBKBJSQ-MRXNPFEDSA-N 1 0 328.416 3.262 20 5 EGBDRO C[C@H](C(=O)NCc1cc([N+](=O)[O-])ccc1Cl)[NH+]1[C@H](C)CC[C@H]1C ZINC000757423419 1300670568 /nfs/dbraw/zinc/67/05/68/1300670568.db2.gz DJHCNPLUCLFVCI-IJLUTSLNSA-N 1 0 339.823 3.126 20 5 EGBDRO C[NH+](C)Cc1ccc(NC(=O)c2ccc(F)cc2[N+](=O)[O-])cc1F ZINC000758263019 1300837656 /nfs/dbraw/zinc/83/76/56/1300837656.db2.gz TXASUFNRGDAEQP-UHFFFAOYSA-N 1 0 335.310 3.187 20 5 EGBDRO C[C@@H](c1ccccc1)[NH+]1CCN(c2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000882811316 1302115156 /nfs/dbraw/zinc/11/51/56/1302115156.db2.gz SACNMZUGVVSIJO-AWEZNQCLSA-N 1 0 326.400 3.060 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H](Cc2ccccc2)C2CC2)cc1 ZINC000765845211 1302338516 /nfs/dbraw/zinc/33/85/16/1302338516.db2.gz NNEKMLIAAYIUCJ-RTBURBONSA-N 1 0 326.396 3.239 20 5 EGBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]C2CCC3(CC2)OCCO3)cc1 ZINC000765937179 1302354176 /nfs/dbraw/zinc/35/41/76/1302354176.db2.gz CNTWUXWTVIBACK-UHFFFAOYSA-N 1 0 334.416 3.193 20 5 EGBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)Cc2cnccn2)cc1[N+](=O)[O-] ZINC000768100418 1302824770 /nfs/dbraw/zinc/82/47/70/1302824770.db2.gz ULRLKKNZRDPRAO-STQMWFEESA-N 1 0 330.388 3.065 20 5 EGBDRO O=[N+]([O-])c1cnc(NCC2CC[NH+](C3CC3)CC2)c2ccccc21 ZINC000884488049 1302880719 /nfs/dbraw/zinc/88/07/19/1302880719.db2.gz MUIHHWNCIKNHMS-UHFFFAOYSA-N 1 0 326.400 3.429 20 5 EGBDRO C[N@H+](CCc1ccccc1F)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000769020071 1303033251 /nfs/dbraw/zinc/03/32/51/1303033251.db2.gz BXVXHMQIBYBIBD-UHFFFAOYSA-N 1 0 346.358 3.180 20 5 EGBDRO Cc1ccc(C(=O)OCC[N@@H+](C)Cc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000769046032 1303036886 /nfs/dbraw/zinc/03/68/86/1303036886.db2.gz AUHLKXQLGMXKNX-UHFFFAOYSA-N 1 0 346.358 3.331 20 5 EGBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)OCC[NH+]1CCCCC1 ZINC000770408358 1303263867 /nfs/dbraw/zinc/26/38/67/1303263867.db2.gz VOGSPUJDGVJNDM-UHFFFAOYSA-N 1 0 338.429 3.350 20 5 EGBDRO O=[N+]([O-])c1ccc(CCCC[NH2+][C@H]2CCOC3(CCOCC3)C2)cc1 ZINC000886000025 1303314109 /nfs/dbraw/zinc/31/41/09/1303314109.db2.gz SIQCQWZTMOSIGF-KRWDZBQOSA-N 1 0 348.443 3.235 20 5 EGBDRO COc1ccc(C[C@@H]2CCC[N@H+](Cc3cccnc3[N+](=O)[O-])C2)cc1 ZINC000886021384 1303322177 /nfs/dbraw/zinc/32/21/77/1303322177.db2.gz VGUHRMLSUOTSSI-INIZCTEOSA-N 1 0 341.411 3.453 20 5 EGBDRO O=[N+]([O-])c1ncccc1C[NH+]1CCC2(CC1)OCc1ccccc12 ZINC000886040434 1303329567 /nfs/dbraw/zinc/32/95/67/1303329567.db2.gz YZSQEFOFWPDJJC-UHFFFAOYSA-N 1 0 325.368 3.011 20 5 EGBDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886040793 1303331044 /nfs/dbraw/zinc/33/10/44/1303331044.db2.gz DIYMFPJEPVKCKT-MRXNPFEDSA-N 1 0 346.475 3.466 20 5 EGBDRO CS[C@@H]1CN(c2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1[NH+]1CCCC1 ZINC000772581625 1303550522 /nfs/dbraw/zinc/55/05/22/1303550522.db2.gz VYOIZMBBMSNFJW-LSDHHAIUSA-N 1 0 341.864 3.264 20 5 EGBDRO CS[C@@H]1CN(c2cc(C)c([N+](=O)[O-])cc2Cl)C[C@@H]1[NH+](C)C ZINC000774536277 1303824204 /nfs/dbraw/zinc/82/42/04/1303824204.db2.gz LVQWQCLGOJXGOM-UONOGXRCSA-N 1 0 329.853 3.038 20 5 EGBDRO Cc1nc(C)c([C@@H](C)[N@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000776583195 1304174651 /nfs/dbraw/zinc/17/46/51/1304174651.db2.gz ZBHZPLLHBOIUMW-ABAIWWIYSA-N 1 0 335.429 3.395 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C2(c3nccs3)CCCC2)cc1 ZINC000776590702 1304176488 /nfs/dbraw/zinc/17/64/88/1304176488.db2.gz HAXUKAORZCJQLG-AWEZNQCLSA-N 1 0 333.413 3.144 20 5 EGBDRO Cc1cccc([C@@H]2CCC[N@@H+]2C[C@@H](O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000776586885 1304176697 /nfs/dbraw/zinc/17/66/97/1304176697.db2.gz RJXPBXFCEYRRAJ-ZWKOTPCHSA-N 1 0 327.384 3.169 20 5 EGBDRO Cc1nn(C[N@@H+]2CCC[C@H]2C2CCOCC2)c2cc([N+](=O)[O-])ccc12 ZINC000776770697 1304196282 /nfs/dbraw/zinc/19/62/82/1304196282.db2.gz BXXISNFXHBLHFS-KRWDZBQOSA-N 1 0 344.415 3.101 20 5 EGBDRO CCOC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000776809266 1304202985 /nfs/dbraw/zinc/20/29/85/1304202985.db2.gz QVGPUAQDJXOYOC-GDBMZVCRSA-N 1 0 349.431 3.250 20 5 EGBDRO CSc1cccc(C(=O)OCC[C@@H]2CCCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000777074155 1304244778 /nfs/dbraw/zinc/24/47/78/1304244778.db2.gz JAJSFIRFARVKLA-LBPRGKRZSA-N 1 0 338.429 3.348 20 5 EGBDRO O=C(NCC[NH2+]Cc1c2ccccc2cc2ccccc21)c1ccn[nH]1 ZINC000779995688 1304629587 /nfs/dbraw/zinc/62/95/87/1304629587.db2.gz RUTULAQRZXGMHN-UHFFFAOYSA-N 1 0 344.418 3.236 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CC[C@@H](COc3ccccc3)C2)cc1 ZINC000780370644 1304682770 /nfs/dbraw/zinc/68/27/70/1304682770.db2.gz NUXNBTWKSBFTJR-DNVCBOLYSA-N 1 0 342.395 3.029 20 5 EGBDRO C[C@H](Nc1nc2ccccn2c1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000781393845 1304822925 /nfs/dbraw/zinc/82/29/25/1304822925.db2.gz HPEJKKFEPSFDJX-UONOGXRCSA-N 1 0 343.431 3.307 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H]2CCCOc3cc(F)ccc32)cc1 ZINC000781893987 1304887669 /nfs/dbraw/zinc/88/76/69/1304887669.db2.gz BAZHCEBKKYJOSW-SJORKVTESA-N 1 0 346.358 3.271 20 5 EGBDRO COc1c(O)ccc(C[N@H+](C)[C@@H]2CCc3ccccc32)c1[N+](=O)[O-] ZINC000891558302 1305088754 /nfs/dbraw/zinc/08/87/54/1305088754.db2.gz FGDXFCJENXHQAP-OAHLLOKOSA-N 1 0 328.368 3.428 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCOC3(CCOCC3)C2)cc1Cl ZINC000783652164 1305123408 /nfs/dbraw/zinc/12/34/08/1305123408.db2.gz VWYCOQDGVWYSOS-CYBMUJFWSA-N 1 0 340.807 3.066 20 5 EGBDRO C[C@H]1C[N@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)CC(C)(C)C1 ZINC000784010910 1305175568 /nfs/dbraw/zinc/17/55/68/1305175568.db2.gz VSDKYNMBYAQTPO-CYBMUJFWSA-N 1 0 329.404 3.179 20 5 EGBDRO CC(C)(C)[C@H]1CC[N@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000784030768 1305179474 /nfs/dbraw/zinc/17/94/74/1305179474.db2.gz ICPWUIWIFVKLEV-AWEZNQCLSA-N 1 0 329.404 3.179 20 5 EGBDRO COc1c(O)ccc(C[NH2+]C23CC4CC(CC(C4)C2)C3)c1[N+](=O)[O-] ZINC000893309951 1305821009 /nfs/dbraw/zinc/82/10/09/1305821009.db2.gz JBJAYKBEMVUALV-UHFFFAOYSA-N 1 0 332.400 3.367 20 5 EGBDRO CCC(CC)[NH2+]CCNC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000893454851 1305904679 /nfs/dbraw/zinc/90/46/79/1305904679.db2.gz XHYYVOZJNPLIJV-ZDUSSCGKSA-N 1 0 336.436 3.042 20 5 EGBDRO CCC(O)(CC)CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000788261908 1305911396 /nfs/dbraw/zinc/91/13/96/1305911396.db2.gz LWXHMMBVRXSATE-UHFFFAOYSA-N 1 0 335.448 3.094 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@H]3CCC4(CCCC4)O3)CC2)cc1 ZINC000788467969 1305949242 /nfs/dbraw/zinc/94/92/42/1305949242.db2.gz BXUYTXLPTNBMPC-GOSISDBHSA-N 1 0 345.443 3.209 20 5 EGBDRO CC[N@H+](Cc1ccc2c(c1)OCO2)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000788475021 1305951344 /nfs/dbraw/zinc/95/13/44/1305951344.db2.gz NWNXIMCEFYWXDG-UHFFFAOYSA-N 1 0 332.331 3.485 20 5 EGBDRO C[C@H](NC[C@]1([NH+](C)C)CCC[C@@H](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788561127 1305970220 /nfs/dbraw/zinc/97/02/20/1305970220.db2.gz FNVWOPDGMKYCPT-GLJUWKHASA-N 1 0 334.464 3.338 20 5 EGBDRO CCOC1CC(CC[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000788982219 1306057899 /nfs/dbraw/zinc/05/78/99/1306057899.db2.gz WHEBWRBEOCHKDB-UHFFFAOYSA-N 1 0 347.459 3.358 20 5 EGBDRO COc1c(O)ccc(CNc2ccc(C[NH+](C)C)cc2F)c1[N+](=O)[O-] ZINC000894906991 1309123695 /nfs/dbraw/zinc/12/36/95/1309123695.db2.gz FLLNIVCQDSSVOP-UHFFFAOYSA-N 1 0 349.362 3.122 20 5 EGBDRO C[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)C[C@H]1Cc1ccccc1 ZINC000792944729 1309268723 /nfs/dbraw/zinc/26/87/23/1309268723.db2.gz XSMSZHMCDHIADP-QGZVFWFLSA-N 1 0 343.402 3.093 20 5 EGBDRO CN(C)c1cc[nH+]c(CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)c1 ZINC000895464437 1309351200 /nfs/dbraw/zinc/35/12/00/1309351200.db2.gz BHARCPACSQYOKL-UHFFFAOYSA-N 1 0 338.314 3.269 20 5 EGBDRO Cc1cc(NCc2cc(C3CC3)nn2C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000896509433 1309891950 /nfs/dbraw/zinc/89/19/50/1309891950.db2.gz DWRGVCHKZPLOPI-UHFFFAOYSA-N 1 0 337.383 3.096 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCC2(CC1)C[C@H](O)CCO2 ZINC000897260085 1310251314 /nfs/dbraw/zinc/25/13/14/1310251314.db2.gz XVXMHUUTVGBHSA-HAZIXKIPSA-N 1 0 346.427 3.004 20 5 EGBDRO CC(C)(C)[N@@H+]1CC[C@H]1C(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000897901035 1310511160 /nfs/dbraw/zinc/51/11/60/1310511160.db2.gz NPFPFSLSUCFCRX-WBVHZDCISA-N 1 0 345.443 3.174 20 5 EGBDRO O=C(OCCC[NH+]1CCCCC1)c1cc([N+](=O)[O-])ccc1Cl ZINC000800086842 1310669689 /nfs/dbraw/zinc/66/96/89/1310669689.db2.gz CVSRVCPRALZURE-UHFFFAOYSA-N 1 0 326.780 3.281 20 5 EGBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1ccc([S@@](C)=O)cc1 ZINC000801533348 1310959057 /nfs/dbraw/zinc/95/90/57/1310959057.db2.gz LIVVUVKVRDTNDU-QVQLBTGDSA-N 1 0 336.388 3.322 20 5 EGBDRO Cc1cc(Cl)c(C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000826677696 1320397354 /nfs/dbraw/zinc/39/73/54/1320397354.db2.gz MAILFMPYKVUMML-RYUDHWBXSA-N 1 0 339.823 3.159 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](CC(C)C)[NH+](C)C)cc1Cl ZINC000836697154 1320522508 /nfs/dbraw/zinc/52/25/08/1320522508.db2.gz GOXDSRSNJFVLSJ-GFCCVEGCSA-N 1 0 341.839 3.263 20 5 EGBDRO C[C@@H]1C[C@H](c2cccnc2)[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000805750509 1317417066 /nfs/dbraw/zinc/41/70/66/1317417066.db2.gz NLGVRAXAFPYQBT-XWIAVFTESA-N 1 0 327.384 3.106 20 5 EGBDRO C[NH2+]C(C)(C)c1cc(-c2ccc(N3CCCC3)c([N+](=O)[O-])c2)no1 ZINC000901397701 1317417770 /nfs/dbraw/zinc/41/77/70/1317417770.db2.gz DFGKTVOMODGACU-UHFFFAOYSA-N 1 0 330.388 3.305 20 5 EGBDRO CCCNC(=O)OC[C@@H]1CCCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000805772803 1317423561 /nfs/dbraw/zinc/42/35/61/1317423561.db2.gz KVEJSPVCLJVCEB-KRWDZBQOSA-N 1 0 349.431 3.128 20 5 EGBDRO Cc1ccc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)s1 ZINC001019944292 1317469681 /nfs/dbraw/zinc/46/96/81/1317469681.db2.gz VRWVWAIENHBAPR-HDJSIYSDSA-N 1 0 345.424 3.015 20 5 EGBDRO O=C(C=C1CCCCC1)N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001020015002 1317501465 /nfs/dbraw/zinc/50/14/65/1317501465.db2.gz KQIDPTCWANIJGF-QAQDUYKDSA-N 1 0 343.427 3.222 20 5 EGBDRO C[NH+](C)Cc1ccc(NC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000929808501 1328706140 /nfs/dbraw/zinc/70/61/40/1328706140.db2.gz HZCRBFDOEODOJK-ROUUACIJSA-N 1 0 339.395 3.399 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@](C)(O)c1cccc(F)c1 ZINC000903307492 1317684916 /nfs/dbraw/zinc/68/49/16/1317684916.db2.gz IQPYEVUSWJETKY-SGTLLEGYSA-N 1 0 348.374 3.301 20 5 EGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCOC1CCSCC1 ZINC000903446778 1317701346 /nfs/dbraw/zinc/70/13/46/1317701346.db2.gz TZBMCCCVZWEZCS-LBPRGKRZSA-N 1 0 342.436 3.167 20 5 EGBDRO C[C@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1Cl)[NH+]1CCCCC1 ZINC000809911420 1317916682 /nfs/dbraw/zinc/91/66/82/1317916682.db2.gz NMAHQIRHLDTXQV-LLVKDONJSA-N 1 0 340.811 3.244 20 5 EGBDRO CC(C)[NH2+][C@@H]1CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000809917657 1317917974 /nfs/dbraw/zinc/91/79/74/1317917974.db2.gz MJQMNIPYVZQIMH-LLVKDONJSA-N 1 0 340.811 3.243 20 5 EGBDRO CC[C@H]1CCCCN1C(=O)[C@@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000905852746 1318006925 /nfs/dbraw/zinc/00/69/25/1318006925.db2.gz NAHHXZBTQPQHTO-FMKPAKJESA-N 1 0 333.432 3.425 20 5 EGBDRO Cc1ccc(CNC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000905853630 1318008954 /nfs/dbraw/zinc/00/89/54/1318008954.db2.gz UGGFFVDEDIHNTD-HUUCEWRRSA-N 1 0 341.411 3.259 20 5 EGBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+][C@H]1CCN(C2CC2)C1 ZINC000811478318 1318181984 /nfs/dbraw/zinc/18/19/84/1318181984.db2.gz GLQKXANFZIWHRQ-NSHDSACASA-N 1 0 330.215 3.228 20 5 EGBDRO C[C@@H]1C[C@H](NCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC[N@@H+]1C ZINC000811482572 1318183306 /nfs/dbraw/zinc/18/33/06/1318183306.db2.gz METXJCCZVQIULO-BXKDBHETSA-N 1 0 332.231 3.474 20 5 EGBDRO CCCC[N@H+](C)C[C@@H](C)Nc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000811848596 1318278512 /nfs/dbraw/zinc/27/85/12/1318278512.db2.gz LSMDYHDZYSESBM-GFCCVEGCSA-N 1 0 325.409 3.144 20 5 EGBDRO CCC[N@@H+]1CCC[C@H](C(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000908361127 1318331572 /nfs/dbraw/zinc/33/15/72/1318331572.db2.gz ZQRUWMYVPDYOPU-AWEZNQCLSA-N 1 0 333.432 3.068 20 5 EGBDRO O=[N+]([O-])c1cccc(Br)c1C[NH2+]C1(CO)CCCCC1 ZINC000930054943 1328774234 /nfs/dbraw/zinc/77/42/34/1328774234.db2.gz KCURCJQEXRZXCZ-UHFFFAOYSA-N 1 0 343.221 3.142 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CC[C@H](C[NH+]3CCCC3)C2)c(OC(F)F)c1 ZINC000814852553 1318831968 /nfs/dbraw/zinc/83/19/68/1318831968.db2.gz FGWCKMQTMAEHSP-GFCCVEGCSA-N 1 0 341.358 3.118 20 5 EGBDRO C[NH+](C)Cc1ccccc1NC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000930125611 1328791169 /nfs/dbraw/zinc/79/11/69/1328791169.db2.gz IVNSGWOGEMSOEY-IAGOWNOFSA-N 1 0 339.395 3.399 20 5 EGBDRO COC(=O)C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C1CC1 ZINC000815090337 1318887878 /nfs/dbraw/zinc/88/78/78/1318887878.db2.gz UUVCKNYBEMJDKN-ZDUSSCGKSA-N 1 0 346.305 3.045 20 5 EGBDRO Cc1cc(C(=O)N2CCCC[C@H]2[C@@H](C)C[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000912812791 1318938851 /nfs/dbraw/zinc/93/88/51/1318938851.db2.gz AYHJMXHZDZYZAX-YOEHRIQHSA-N 1 0 333.432 3.096 20 5 EGBDRO CC1(C)CC(CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)C1 ZINC001022591284 1319007183 /nfs/dbraw/zinc/00/71/83/1319007183.db2.gz UZAQNFSIXXLTSW-IYBDPMFKSA-N 1 0 345.443 3.158 20 5 EGBDRO C[C@@H](N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815565453 1319015682 /nfs/dbraw/zinc/01/56/82/1319015682.db2.gz OQUFZAIZNGJZLU-LJISPDSOSA-N 1 0 334.464 3.194 20 5 EGBDRO C[C@@H]([NH2+]C[C@H](C)Oc1cccc(F)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815583926 1319021631 /nfs/dbraw/zinc/02/16/31/1319021631.db2.gz RHVGTGQRWGIGQH-NWDGAFQWSA-N 1 0 333.363 3.434 20 5 EGBDRO COc1cccc2c1OCC[C@H]2[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815593262 1319025047 /nfs/dbraw/zinc/02/50/47/1319025047.db2.gz HDDLPCQALBLXGC-IAQYHMDHSA-N 1 0 343.383 3.360 20 5 EGBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)C1(F)CCCCC1 ZINC001022930545 1319174068 /nfs/dbraw/zinc/17/40/68/1319174068.db2.gz BGLPLJOASIHOAZ-GASCZTMLSA-N 1 0 349.406 3.004 20 5 EGBDRO CC(C)[C@@]1(CO)CCC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000816662744 1319203189 /nfs/dbraw/zinc/20/31/89/1319203189.db2.gz XJAKUPCEDVSWCS-INIZCTEOSA-N 1 0 326.824 3.479 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCCCOc2ccc(F)cc2)c1 ZINC000818945138 1319584573 /nfs/dbraw/zinc/58/45/73/1319584573.db2.gz VGZSOLLGAGENBX-GOSISDBHSA-N 1 0 348.374 3.216 20 5 EGBDRO CC(C)COc1cccc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000818975326 1319599850 /nfs/dbraw/zinc/59/98/50/1319599850.db2.gz WWSLWEOZQXZDDC-IBGZPJMESA-N 1 0 344.411 3.453 20 5 EGBDRO CC(C)(C)SCC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000819009854 1319613280 /nfs/dbraw/zinc/61/32/80/1319613280.db2.gz TYWYMNYTXAJBGV-UHFFFAOYSA-N 1 0 325.434 3.045 20 5 EGBDRO CCO[C@H](CC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000819128763 1319643156 /nfs/dbraw/zinc/64/31/56/1319643156.db2.gz RPWXAVVJVHYUEO-ZWKOTPCHSA-N 1 0 336.432 3.203 20 5 EGBDRO CCCOc1cccc(CC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000819178401 1319659399 /nfs/dbraw/zinc/65/93/99/1319659399.db2.gz ABEIAFNRIVFBEI-IBGZPJMESA-N 1 0 344.411 3.249 20 5 EGBDRO CO[C@H](c1ccccc1F)[C@H](C)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819210336 1319669067 /nfs/dbraw/zinc/66/90/67/1319669067.db2.gz UUMKLQYFHIGENR-RZAIGCCYSA-N 1 0 348.374 3.133 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@@H]2CCC3(CCCCC3)O2)cc1 ZINC000819259025 1319681609 /nfs/dbraw/zinc/68/16/09/1319681609.db2.gz DOVNFHVDPFVVLV-DLBZAZTESA-N 1 0 334.416 3.100 20 5 EGBDRO CCOc1cccc([C@@H]2C[C@H]2[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000819281562 1319688239 /nfs/dbraw/zinc/68/82/39/1319688239.db2.gz KISHYPAVKPBVSO-IPMKNSEASA-N 1 0 342.395 3.173 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]Cc2cc(C3CC3)ccc2F)cc1 ZINC000819338596 1319702542 /nfs/dbraw/zinc/70/25/42/1319702542.db2.gz DIHHQKQDYXOZCS-SFHVURJKSA-N 1 0 330.359 3.435 20 5 EGBDRO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])c2nonc21)C1CCCCC1 ZINC000917064820 1319746709 /nfs/dbraw/zinc/74/67/09/1319746709.db2.gz HIARGTMSXATCEF-AWEZNQCLSA-N 1 0 333.392 3.053 20 5 EGBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNc2nc3ccccn3c2[N+](=O)[O-])C1 ZINC000917075164 1319749946 /nfs/dbraw/zinc/74/99/46/1319749946.db2.gz IJYMJLMEIVSIIY-GASCZTMLSA-N 1 0 345.447 3.413 20 5 EGBDRO NC(=O)c1ccc(C[NH+]2CCC(C3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000917131676 1319761941 /nfs/dbraw/zinc/76/19/41/1319761941.db2.gz YIKJDSYYEXWHFG-UHFFFAOYSA-N 1 0 345.443 3.486 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000821891819 1320041173 /nfs/dbraw/zinc/04/11/73/1320041173.db2.gz QQJKRNMUIZUMPP-UHFFFAOYSA-N 1 0 349.456 3.063 20 5 EGBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2F)C1 ZINC000824656163 1320275308 /nfs/dbraw/zinc/27/53/08/1320275308.db2.gz FVHGRTMWVMJOBW-NFAWXSAZSA-N 1 0 349.406 3.211 20 5 EGBDRO CC(C)(C)OC(=O)NCC[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000824820673 1320288687 /nfs/dbraw/zinc/28/86/87/1320288687.db2.gz KFAAFRSJXJFPLC-HNNXBMFYSA-N 1 0 349.431 3.299 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C(=O)Nc2cc(C[NH+](C)C)ccn2)cc1Cl ZINC000836738977 1320527763 /nfs/dbraw/zinc/52/77/63/1320527763.db2.gz QTCJNRMWWOKBAY-UHFFFAOYSA-N 1 0 348.790 3.266 20 5 EGBDRO C[C@H](CCCc1cccnc1)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000839144630 1320879085 /nfs/dbraw/zinc/87/90/85/1320879085.db2.gz IQCKLILUETZWIU-RDTXWAMCSA-N 1 0 329.400 3.024 20 5 EGBDRO CC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1Br)[C@H]1CCCO1 ZINC000839552654 1320936565 /nfs/dbraw/zinc/93/65/65/1320936565.db2.gz SECQRZJHFNZJPS-WCQYABFASA-N 1 0 343.221 3.405 20 5 EGBDRO CC[C@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839581833 1320941470 /nfs/dbraw/zinc/94/14/70/1320941470.db2.gz UWLAVWGPDYKTHU-JQWIXIFHSA-N 1 0 325.796 3.355 20 5 EGBDRO [NH3+][C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2Cl)C[C@H]1c1ccccc1F ZINC000841104513 1321218671 /nfs/dbraw/zinc/21/86/71/1321218671.db2.gz TVTDWJMGNZTLJP-WMLDXEAASA-N 1 0 349.793 3.314 20 5 EGBDRO Cc1nn(C[N@@H+]2CCC[C@@H]2[C@H]2CCCOC2)c2cc([N+](=O)[O-])ccc12 ZINC000842619111 1321406870 /nfs/dbraw/zinc/40/68/70/1321406870.db2.gz UDVYAEDBFJSUKH-WMLDXEAASA-N 1 0 344.415 3.101 20 5 EGBDRO CC(C)[C@@H]([NH3+])c1noc(-c2csc(-c3cccc([N+](=O)[O-])c3)n2)n1 ZINC000843149366 1321478521 /nfs/dbraw/zinc/47/85/21/1321478521.db2.gz DCMLCRGNYSXJCG-GFCCVEGCSA-N 1 0 345.384 3.424 20 5 EGBDRO Cc1ccc(-c2noc(C[C@@H](C)C3CC[NH2+]CC3)n2)cc1[N+](=O)[O-] ZINC000843178328 1321482196 /nfs/dbraw/zinc/48/21/96/1321482196.db2.gz BDCUMRQGIDMOJN-GFCCVEGCSA-N 1 0 330.388 3.131 20 5 EGBDRO Cc1ccc(-c2noc(CC3C[C@H]4CC[C@@H](C3)[NH2+]4)n2)cc1[N+](=O)[O-] ZINC000843178837 1321482854 /nfs/dbraw/zinc/48/28/54/1321482854.db2.gz MPLSOFXWBZQWEN-QXMXGUDHSA-N 1 0 328.372 3.026 20 5 EGBDRO Cc1cc(Cc2noc(C[C@@H](C)[C@@H]3CCC[NH2+]C3)n2)ccc1[N+](=O)[O-] ZINC000843192377 1321484898 /nfs/dbraw/zinc/48/48/98/1321484898.db2.gz TURHYNXAHDGYTA-IUODEOHRSA-N 1 0 344.415 3.055 20 5 EGBDRO C[C@@H](C[NH+]1CCCC1)OC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000845663225 1321730144 /nfs/dbraw/zinc/73/01/44/1321730144.db2.gz OKWLDKVNRIIMGL-JTQLQIEISA-N 1 0 346.305 3.255 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000930862144 1328989801 /nfs/dbraw/zinc/98/98/01/1328989801.db2.gz JAFJJNWOLAJWPU-AWEZNQCLSA-N 1 0 334.420 3.158 20 5 EGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@]1(O)CCCc2ccccc21 ZINC000848529627 1321969873 /nfs/dbraw/zinc/96/98/73/1321969873.db2.gz ZKNMABWRHXDZSB-ICSRJNTNSA-N 1 0 338.407 3.396 20 5 EGBDRO C[C@@H]1CCC[C@@](CNc2nc3ccccn3c2[N+](=O)[O-])([NH+](C)C)C1 ZINC000918735683 1321986067 /nfs/dbraw/zinc/98/60/67/1321986067.db2.gz NFEXCALNSWVHOA-CXAGYDPISA-N 1 0 331.420 3.165 20 5 EGBDRO COc1ccc(NC(=[NH2+])NCCc2ccccc2[N+](=O)[O-])cc1Cl ZINC000849088301 1322074028 /nfs/dbraw/zinc/07/40/28/1322074028.db2.gz DORLEBIIYBDKSA-UHFFFAOYSA-N 1 0 348.790 3.436 20 5 EGBDRO [NH2+]=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)Nc1ccccn1 ZINC000849109513 1322081899 /nfs/dbraw/zinc/08/18/99/1322081899.db2.gz WEELQLKPLRYKAP-UHFFFAOYSA-N 1 0 339.277 3.145 20 5 EGBDRO CN(CC[N@H+](C)C1CCCCC1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000920256870 1322156738 /nfs/dbraw/zinc/15/67/38/1322156738.db2.gz LCCYVVCUPPEHQE-UHFFFAOYSA-N 1 0 336.392 3.204 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H]1CSCCS1 ZINC000850439254 1322249476 /nfs/dbraw/zinc/24/94/76/1322249476.db2.gz GSZFCFZTAQNFDG-CMPLNLGQSA-N 1 0 328.459 3.103 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@](C)(O)c1ccccc1 ZINC000850436167 1322249951 /nfs/dbraw/zinc/24/99/51/1322249951.db2.gz SSBOISINMDMLHH-SCLBCKFNSA-N 1 0 330.384 3.162 20 5 EGBDRO COc1ccc(C[N@@H+]2CCC[C@](O)(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000859584045 1329025976 /nfs/dbraw/zinc/02/59/76/1329025976.db2.gz JSUWUDPTEYZZKL-LJQANCHMSA-N 1 0 342.395 3.087 20 5 EGBDRO C[C@@H](NC(=O)NCCCCC[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000922621075 1322572954 /nfs/dbraw/zinc/57/29/54/1322572954.db2.gz HZHLQUBSEAUVGG-OAHLLOKOSA-N 1 0 348.447 3.221 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@@H]1CCCN1CC(F)(F)F ZINC000922708731 1322599321 /nfs/dbraw/zinc/59/93/21/1322599321.db2.gz MBFJDQRDQHISLY-XSHSDMCLSA-N 1 0 343.349 3.224 20 5 EGBDRO CC(C)c1ccc(C(=O)N2[C@@H]3CC[C@H]2C[N@H+](C)CC3)cc1[N+](=O)[O-] ZINC000923271736 1322723355 /nfs/dbraw/zinc/72/33/55/1322723355.db2.gz ONJNNCHTIGDRRR-CABCVRRESA-N 1 0 331.416 3.027 20 5 EGBDRO COc1ccc([C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)C2CC2)cn1 ZINC000860207212 1329173690 /nfs/dbraw/zinc/17/36/90/1329173690.db2.gz FSUYTXQJVCJOKC-KRWDZBQOSA-N 1 0 331.347 3.378 20 5 EGBDRO CC1C[C@H]2CC[C@@H](C1)[N@H+]2Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000853606249 1325132879 /nfs/dbraw/zinc/13/28/79/1325132879.db2.gz QFNWOUOHHNZLCF-LQDVMPOASA-N 1 0 327.388 3.074 20 5 EGBDRO C[N@@H+]1CCC[C@@]2(CCN(c3ccc(C(F)F)cc3[N+](=O)[O-])C2)C1 ZINC000853647741 1325141144 /nfs/dbraw/zinc/14/11/44/1325141144.db2.gz DKYXIBIJUKVYLE-MRXNPFEDSA-N 1 0 325.359 3.455 20 5 EGBDRO C[C@H]([NH2+]C[C@@H]1CCCN1CC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000926927089 1327781135 /nfs/dbraw/zinc/78/11/35/1327781135.db2.gz RWGUSLFOLUOTJH-FZMZJTMJSA-N 1 0 331.338 3.272 20 5 EGBDRO CC(C)[C@H]([NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-])c1cnn(C)c1 ZINC000927068756 1327840767 /nfs/dbraw/zinc/84/07/67/1327840767.db2.gz VRUSKQBKNULYBZ-PXAZEXFGSA-N 1 0 334.395 3.385 20 5 EGBDRO Cn1nc(C2CC2)cc1C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000927103087 1327864044 /nfs/dbraw/zinc/86/40/44/1327864044.db2.gz XQWQXKFSRBKAMD-KRWDZBQOSA-N 1 0 326.400 3.373 20 5 EGBDRO CC(C)(C)C(=O)NC1CC2(C1)CC([NH2+]Cc1ccccc1[N+](=O)[O-])C2 ZINC000965876055 1328068545 /nfs/dbraw/zinc/06/85/45/1328068545.db2.gz NJUZPIYRUBVCPI-UHFFFAOYSA-N 1 0 345.443 3.158 20 5 EGBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000861748595 1329439141 /nfs/dbraw/zinc/43/91/41/1329439141.db2.gz PIEDWDJATNMLPG-NSHDSACASA-N 1 0 327.812 3.098 20 5 EGBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000861780390 1329441557 /nfs/dbraw/zinc/44/15/57/1329441557.db2.gz JJRNCNQDRFJSPE-LLVKDONJSA-N 1 0 327.812 3.098 20 5 EGBDRO CC[NH+](CC)CCC[C@H](C)Nc1cc(F)c([N+](=O)[O-])cc1CO ZINC000865401601 1329691790 /nfs/dbraw/zinc/69/17/90/1329691790.db2.gz DIXQPKMRJCZPSR-LBPRGKRZSA-N 1 0 327.400 3.149 20 5 EGBDRO CCCC[NH+]1CCC(NC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000932429354 1329814244 /nfs/dbraw/zinc/81/42/44/1329814244.db2.gz LWQOSLDDIMWFFO-MSOLQXFVSA-N 1 0 345.443 3.079 20 5 EGBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc([N+](=O)[O-])ccc1SC ZINC000934319596 1329966012 /nfs/dbraw/zinc/96/60/12/1329966012.db2.gz MZUGIVJBTGNYBH-OCCSQVGLSA-N 1 0 349.456 3.016 20 5 EGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H](c1ccco1)N(C)C ZINC000866216141 1330079806 /nfs/dbraw/zinc/07/98/06/1330079806.db2.gz CXKZTUODZNSBIZ-MLGOLLRUSA-N 1 0 335.379 3.150 20 5 EGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCc1cn2ccccc2n1 ZINC000866226318 1330080784 /nfs/dbraw/zinc/08/07/84/1330080784.db2.gz LUIXNBOAIIJAFH-CYBMUJFWSA-N 1 0 342.374 3.145 20 5 EGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCc1ccc2c[nH]nc2c1 ZINC000866352627 1330100916 /nfs/dbraw/zinc/10/09/16/1330100916.db2.gz AXWJOELCEYUQNB-GFCCVEGCSA-N 1 0 342.374 3.374 20 5 EGBDRO O=c1[nH]c2c(cc1C[NH2+][C@@H]1CCc3c1cccc3[N+](=O)[O-])CCCC2 ZINC000866642617 1330137184 /nfs/dbraw/zinc/13/71/84/1330137184.db2.gz NXFGBSITHIDMAM-QGZVFWFLSA-N 1 0 339.395 3.351 20 5 EGBDRO CC(C)c1ccc(CNC(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)cc1 ZINC000867947863 1330231569 /nfs/dbraw/zinc/23/15/69/1330231569.db2.gz VSWVBOTXYJOQMJ-LJQANCHMSA-N 1 0 341.411 3.209 20 5 EGBDRO Cc1cccc([C@@H](C)NC(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)c1C ZINC000867952540 1330232595 /nfs/dbraw/zinc/23/25/95/1330232595.db2.gz CHONZJCQSQGRON-AUUYWEPGSA-N 1 0 341.411 3.263 20 5 EGBDRO O=C(N[C@H]1CC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1)c1ccoc1 ZINC001034593925 1342638778 /nfs/dbraw/zinc/63/87/78/1342638778.db2.gz UXQBSKOFIZZMPO-WKILWMFISA-N 1 0 343.383 3.019 20 5 EGBDRO O=C(CC1CCC1)N[C@H]1CC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001034614747 1342649449 /nfs/dbraw/zinc/64/94/49/1342649449.db2.gz VXWNFIUKFQKMTN-QAQDUYKDSA-N 1 0 345.443 3.302 20 5 EGBDRO O=C(C=C1CCC1)N[C@H]1CC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001034624886 1342657439 /nfs/dbraw/zinc/65/74/39/1342657439.db2.gz WGVOINPTKULOHY-QAQDUYKDSA-N 1 0 343.427 3.222 20 5 EGBDRO Cc1cc(O[C@@H](C)C2CC[NH2+]CC2)c([N+](=O)[O-])cc1Br ZINC001218002735 1373531386 /nfs/dbraw/zinc/53/13/86/1373531386.db2.gz KHPQHDXJNXGXLQ-JTQLQIEISA-N 1 0 343.221 3.433 20 5 EGBDRO O=C(NC[C@H]1CC[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC001048592892 1347611130 /nfs/dbraw/zinc/61/11/30/1347611130.db2.gz GBVPIGFXZPHCDB-KOMQPUFPSA-N 1 0 345.443 3.017 20 5 EGBDRO CC(C)CC(=O)N1CC2(C1)CC[NH+](Cc1ccccc1[N+](=O)[O-])CC2 ZINC001050411479 1348255863 /nfs/dbraw/zinc/25/58/63/1348255863.db2.gz MIUPGJDLOGXDEY-UHFFFAOYSA-N 1 0 345.443 3.065 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCC(=O)N1CCC[C@H](C)C1 ZINC001323490688 1387376935 /nfs/dbraw/zinc/37/69/35/1387376935.db2.gz CNAGYBYVLQTPSX-DZGCQCFKSA-N 1 0 333.432 3.202 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2csc(N3CCC[N@@H+]4CCC[C@@H]4C3)n2)cc1 ZINC001325180517 1387911566 /nfs/dbraw/zinc/91/15/66/1387911566.db2.gz NJSJAUIDEYMULT-OAHLLOKOSA-N 1 0 344.440 3.393 20 5 EGBDRO CC[NH+]1CCN(c2ccc(Nc3cc(O)cc([N+](=O)[O-])c3)cc2)CC1 ZINC001201222803 1369498616 /nfs/dbraw/zinc/49/86/16/1369498616.db2.gz RZAJOQHEUGYIIL-UHFFFAOYSA-N 1 0 342.399 3.186 20 5 EGBDRO [NH3+]CCCNCc1nc(-c2cc3ccccc3c3ccccc23)no1 ZINC001204612365 1370530035 /nfs/dbraw/zinc/53/00/35/1370530035.db2.gz NAPWXGKUESKDGC-UHFFFAOYSA-N 1 0 332.407 3.481 20 5 EGBDRO CC/C=C(\C)C(=O)N1CCC(C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001204661868 1370539147 /nfs/dbraw/zinc/53/91/47/1370539147.db2.gz GELULEKKGLFTEH-GIDUJCDVSA-N 1 0 345.443 3.279 20 5 EGBDRO Cc1csc(CCC[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC001116751811 1370966541 /nfs/dbraw/zinc/96/65/41/1370966541.db2.gz WURJKTSBEVFQDW-UONOGXRCSA-N 1 0 349.460 3.262 20 5 EGBDRO C[NH+]1CCN(Cc2ccccc2Nc2ccccc2[N+](=O)[O-])CC1 ZINC001206164967 1370977839 /nfs/dbraw/zinc/97/78/39/1370977839.db2.gz VZFWFCNDYOQLQV-UHFFFAOYSA-N 1 0 326.400 3.086 20 5 EGBDRO CN(CCC[NH+]1CCCC1)c1ncnc2c(Cl)cc([N+](=O)[O-])cc21 ZINC001118531461 1371193385 /nfs/dbraw/zinc/19/33/85/1371193385.db2.gz GLDGZQMHWPPQHX-UHFFFAOYSA-N 1 0 349.822 3.114 20 5 EGBDRO O=[N+]([O-])c1ccc2c(cnn2C[N@@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)c1 ZINC001118594875 1371203711 /nfs/dbraw/zinc/20/37/11/1371203711.db2.gz DUYDEWHLWLNPAQ-KDOFPFPSSA-N 1 0 344.415 3.183 20 5 EGBDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001119447385 1371344842 /nfs/dbraw/zinc/34/48/42/1371344842.db2.gz NVIFHKXJOMWOOU-CYBMUJFWSA-N 1 0 338.383 3.072 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(-c2nc([C@@H]3C[NH+]4CCC3CC4)no2)c1C ZINC001119519641 1371361118 /nfs/dbraw/zinc/36/11/18/1371361118.db2.gz RGORGUQRBRDYES-CYBMUJFWSA-N 1 0 328.372 3.071 20 5 EGBDRO Cn1ncc([N+](=O)[O-])c1S[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001119966809 1371435071 /nfs/dbraw/zinc/43/50/71/1371435071.db2.gz DUVJWJFGESMCLS-AWEZNQCLSA-N 1 0 332.429 3.085 20 5 EGBDRO COc1c(O)ccc(C[N@H+](C)[C@@H]2CC[C@H](SC)C2)c1[N+](=O)[O-] ZINC001120017904 1371457966 /nfs/dbraw/zinc/45/79/66/1371457966.db2.gz JDQQKZXUBDVQQO-NEPJUHHUSA-N 1 0 326.418 3.025 20 5 EGBDRO CO[C@@H](C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC001326283819 1388141815 /nfs/dbraw/zinc/14/18/15/1388141815.db2.gz QQPMATPUYBBQFS-DIFFPNOSSA-N 1 0 333.363 3.354 20 5 EGBDRO C[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(Cl)cn1 ZINC001120599987 1371637596 /nfs/dbraw/zinc/63/75/96/1371637596.db2.gz SJSXJAQAXMQTQS-LLVKDONJSA-N 1 0 348.790 3.323 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1C[C@H](CC[NH3+])c2ccccc21 ZINC001122193470 1372198590 /nfs/dbraw/zinc/19/85/90/1372198590.db2.gz ADIMWKUCKPJETA-AWEZNQCLSA-N 1 0 339.395 3.304 20 5 EGBDRO CCCc1ccc(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)s1 ZINC001128327086 1373252216 /nfs/dbraw/zinc/25/22/16/1373252216.db2.gz BGXKLIZORPUHAU-UHFFFAOYSA-N 1 0 347.440 3.128 20 5 EGBDRO CC(C)c1ccccc1C(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001128864673 1373318227 /nfs/dbraw/zinc/31/82/27/1373318227.db2.gz ILCPAJGIVJDNRI-UHFFFAOYSA-N 1 0 347.440 3.299 20 5 EGBDRO Cc1cc(Br)cc([N+](=O)[O-])c1O[C@@H]1CCC[NH2+]C[C@H]1F ZINC001217952570 1373517759 /nfs/dbraw/zinc/51/77/59/1373517759.db2.gz XETDCBNMELIIFR-ZYHUDNBSSA-N 1 0 347.184 3.135 20 5 EGBDRO Cc1cc(Br)c(O[C@@H]2C[NH2+]CCC[C@@H]2F)cc1[N+](=O)[O-] ZINC001217983751 1373525963 /nfs/dbraw/zinc/52/59/63/1373525963.db2.gz XTXVEZAWHHXHTD-GXFFZTMASA-N 1 0 347.184 3.135 20 5 EGBDRO C[C@H]1C[NH2+]CCC[C@H]1Oc1cc([N+](=O)[O-])cc(F)c1Br ZINC001217987753 1373527440 /nfs/dbraw/zinc/52/74/40/1373527440.db2.gz BHMGBNOSZYBTHS-GZMMTYOYSA-N 1 0 347.184 3.263 20 5 EGBDRO C[C@@H]1C[NH2+]CCC[C@@H]1Oc1c(Br)cccc1[N+](=O)[O-] ZINC001217988153 1373528001 /nfs/dbraw/zinc/52/80/01/1373528001.db2.gz OYUJUVFYTDDCLH-SKDRFNHKSA-N 1 0 329.194 3.124 20 5 EGBDRO C[C@H]1CC[NH2+]CC[C@H]1Oc1cc(Br)ccc1[N+](=O)[O-] ZINC001218025029 1373541494 /nfs/dbraw/zinc/54/14/94/1373541494.db2.gz COMXVFYCSPBDPQ-JOYOIKCWSA-N 1 0 329.194 3.124 20 5 EGBDRO Cc1cc(Br)c(O[C@@H]2CC[NH2+]CC[C@@H]2C)cc1[N+](=O)[O-] ZINC001218031291 1373543324 /nfs/dbraw/zinc/54/33/24/1373543324.db2.gz NMIHGIKTQHFKCM-TVQRCGJNSA-N 1 0 343.221 3.433 20 5 EGBDRO C[C@H]1CC[NH2+]CC[C@@H]1Oc1c2ccccc2c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001218031294 1373543501 /nfs/dbraw/zinc/54/35/01/1373543501.db2.gz YSSMJXIGXDRDFB-ZBEGNZNMSA-N 1 0 345.355 3.423 20 5 EGBDRO C[C@@H]1C[C@H](Oc2c([N+](=O)[O-])cc(C(C)(C)C)cc2[N+](=O)[O-])CC[NH2+]1 ZINC001218062404 1373550095 /nfs/dbraw/zinc/55/00/95/1373550095.db2.gz SYXQWJRTWZJYNM-ZYHUDNBSSA-N 1 0 337.376 3.320 20 5 EGBDRO O=[N+]([O-])c1cc2c(cc1Cl)ncnc2O[C@@H]1CCC[C@]12CC[NH2+]C2 ZINC001218092243 1373558758 /nfs/dbraw/zinc/55/87/58/1373558758.db2.gz QNTGTRXFXQEYDW-GDBMZVCRSA-N 1 0 348.790 3.102 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(O[C@@H]3CSC4(C[NH2+]C4)C3)cc2)cc1 ZINC001218098761 1373560063 /nfs/dbraw/zinc/56/00/63/1373560063.db2.gz RDQFSBIDKLNQSJ-KRWDZBQOSA-N 1 0 342.420 3.488 20 5 EGBDRO Nc1ccc(O[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC001218178374 1373573159 /nfs/dbraw/zinc/57/31/59/1373573159.db2.gz QTPPTGORNLYUCY-INIZCTEOSA-N 1 0 327.384 3.220 20 5 EGBDRO O=[N+]([O-])c1cccc(OC2CC3(C2)CCC[NH2+]C3)c1Br ZINC001218251732 1373584119 /nfs/dbraw/zinc/58/41/19/1373584119.db2.gz HJWBGPNKAPXUII-UHFFFAOYSA-N 1 0 341.205 3.268 20 5 EGBDRO CC1(C)C[NH2+]CC[C@H]1Oc1ccc(Br)c([N+](=O)[O-])c1 ZINC001218312476 1373593820 /nfs/dbraw/zinc/59/38/20/1373593820.db2.gz CQVJFFVSLQHEED-GFCCVEGCSA-N 1 0 329.194 3.124 20 5 EGBDRO CC1(C)C[NH2+]CC[C@@H]1Oc1cc([N+](=O)[O-])cc(F)c1Br ZINC001218315335 1373593935 /nfs/dbraw/zinc/59/39/35/1373593935.db2.gz GCABISSMFVASFC-NSHDSACASA-N 1 0 347.184 3.263 20 5 EGBDRO C[C@H](Oc1ccc(CN2CC[NH2+]CC2)cc1)c1ccccc1[N+](=O)[O-] ZINC001218318358 1373595069 /nfs/dbraw/zinc/59/50/69/1373595069.db2.gz URWRAOODQHLSDY-HNNXBMFYSA-N 1 0 341.411 3.140 20 5 EGBDRO Cc1cc(Br)cc([N+](=O)[O-])c1O[C@@H]1CC[C@H](C)[NH2+]C1 ZINC001218399670 1373607544 /nfs/dbraw/zinc/60/75/44/1373607544.db2.gz PXSYVOPDUAQGMZ-GXSJLCMTSA-N 1 0 329.194 3.185 20 5 EGBDRO Cc1cc(O[C@@H]2CC[C@@H](C)[NH2+]C2)c([N+](=O)[O-])cc1Br ZINC001218401453 1373607943 /nfs/dbraw/zinc/60/79/43/1373607943.db2.gz ZKSUNDWWIZVTFO-NXEZZACHSA-N 1 0 329.194 3.185 20 5 EGBDRO CC1(C)C[C@H](Oc2c(F)cc([N+](=O)[O-])cc2Br)CC[NH2+]1 ZINC001218476810 1373621611 /nfs/dbraw/zinc/62/16/11/1373621611.db2.gz KHVIMCASLWATGB-SECBINFHSA-N 1 0 347.184 3.406 20 5 EGBDRO Cc1cc(O[C@H]2C[NH2+]CC[C@H]2C)c([N+](=O)[O-])cc1Br ZINC001218481384 1373622662 /nfs/dbraw/zinc/62/26/62/1373622662.db2.gz PNFCLVFXFCLNAJ-OQPBUACISA-N 1 0 329.194 3.043 20 5 EGBDRO CC(C)CC1(C(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)CCC1 ZINC001131141501 1373651459 /nfs/dbraw/zinc/65/14/59/1373651459.db2.gz BWFMXHSSKSCINC-UHFFFAOYSA-N 1 0 339.461 3.079 20 5 EGBDRO Nc1cc2nc3ccccc3nc2cc1NC(=O)[C@@H]([NH3+])c1ccccc1 ZINC001218856573 1373661812 /nfs/dbraw/zinc/66/18/12/1373661812.db2.gz DUFCLUATZACDLM-IBGZPJMESA-N 1 0 343.390 3.004 20 5 EGBDRO CC[C@]1(C(=O)Nc2cc3nc4ccccc4nc3cc2N)CCC[NH2+]C1 ZINC001218858277 1373662047 /nfs/dbraw/zinc/66/20/47/1373662047.db2.gz XETVCFPAGYBAOD-FQEVSTJZSA-N 1 0 349.438 3.084 20 5 EGBDRO CC(C)(C)[NH+]1CCC(Oc2ncnc3cc(F)c([N+](=O)[O-])cc32)CC1 ZINC001226807472 1375340714 /nfs/dbraw/zinc/34/07/14/1375340714.db2.gz PCTIFNHQUFRLHV-UHFFFAOYSA-N 1 0 348.378 3.319 20 5 EGBDRO CCC(=CC(=O)NC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1)CC ZINC001226877407 1375351021 /nfs/dbraw/zinc/35/10/21/1375351021.db2.gz XFADAIRCJPVDNM-UHFFFAOYSA-N 1 0 345.443 3.422 20 5 EGBDRO CC[NH+](CC)C[C@@H](C)Oc1ncnc2cc(Cl)c([N+](=O)[O-])cc21 ZINC001227364349 1375422937 /nfs/dbraw/zinc/42/29/37/1375422937.db2.gz NUBFBHMENQVIFU-SNVBAGLBSA-N 1 0 338.795 3.301 20 5 EGBDRO O=[N+]([O-])c1cncc(O[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC001227990740 1375499504 /nfs/dbraw/zinc/49/95/04/1375499504.db2.gz PSYMJHYREPFUTC-ZYSHUDEJSA-N 1 0 339.395 3.279 20 5 EGBDRO O=[N+]([O-])c1cncc(O[C@H]2CCCN(Cc3ccccc3F)C2)c1 ZINC001227989065 1375499662 /nfs/dbraw/zinc/49/96/62/1375499662.db2.gz BXINLDJCBAERJI-HNNXBMFYSA-N 1 0 331.347 3.172 20 5 EGBDRO CC[NH+](CC)C[C@@H](C)Oc1ccc([N+](=O)[O-])c(Br)c1 ZINC001229080830 1375759182 /nfs/dbraw/zinc/75/91/82/1375759182.db2.gz KRQTVEYDOYZMCU-SNVBAGLBSA-N 1 0 331.210 3.466 20 5 EGBDRO Cc1cc(O)c(O[C@@H]2CC[N@@H+]([C@H](C)c3ccccn3)C2)cc1[N+](=O)[O-] ZINC001229755734 1375887029 /nfs/dbraw/zinc/88/70/29/1375887029.db2.gz ZQHVSFALFHDCOT-ZIAGYGMSSA-N 1 0 343.383 3.218 20 5 EGBDRO CC(=O)Nc1ccc([N+](=O)[O-])cc1O[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC001230246683 1375976307 /nfs/dbraw/zinc/97/63/07/1375976307.db2.gz QQGFFVKAJONAJW-FOLVSLTJSA-N 1 0 347.415 3.336 20 5 EGBDRO OC[C@H]1C[N@H+](Cc2c3ccccc3c3cc4ccccc4oc2-3)C[C@@H]1O ZINC001231817975 1376319879 /nfs/dbraw/zinc/31/98/79/1376319879.db2.gz JOWJZYGSUWMSMG-QRWLVFNGSA-N 1 0 347.414 3.476 20 5 EGBDRO O=[N+]([O-])c1cc(F)c(OC2CCN(c3cc[nH+]cc3)CC2)cc1F ZINC001233600312 1376679929 /nfs/dbraw/zinc/67/99/29/1376679929.db2.gz QMZQYECRVHKXSW-UHFFFAOYSA-N 1 0 335.310 3.316 20 5 EGBDRO CC(C)CCCCCC(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001134786080 1376720107 /nfs/dbraw/zinc/72/01/07/1376720107.db2.gz QCAXIPJJAICWGH-UHFFFAOYSA-N 1 0 335.448 3.407 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)c2ncnc(NC[C@@H]3CC[N@@H+](C4CC4)C3)c2c1 ZINC001327641935 1388571562 /nfs/dbraw/zinc/57/15/62/1388571562.db2.gz VBFLCWRHGQEAPT-JTQLQIEISA-N 1 0 347.806 3.088 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(NCc2ccc3c(c2)CC[NH2+]C3)nc1Cl ZINC001155268317 1380431069 /nfs/dbraw/zinc/43/10/69/1380431069.db2.gz YUNGYKGYZCGJLC-UHFFFAOYSA-N 1 0 332.791 3.209 20 5 EGBDRO CC(C)Oc1nc(N[C@@H]2C[NH2+]Cc3ccsc32)ccc1[N+](=O)[O-] ZINC001155563943 1380469274 /nfs/dbraw/zinc/46/92/74/1380469274.db2.gz FQEJXXQCSCSNGE-LLVKDONJSA-N 1 0 334.401 3.095 20 5 EGBDRO O=[N+]([O-])c1cnc(Cl)nc1NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC001156523167 1380588114 /nfs/dbraw/zinc/58/81/14/1380588114.db2.gz MBMBPWVUJGDVDM-ZDUSSCGKSA-N 1 0 347.806 3.287 20 5 EGBDRO Cc1cc(-n2ccc3cc(C[NH3+])cnc32)nc2ccc([N+](=O)[O-])cc12 ZINC001156593651 1380597788 /nfs/dbraw/zinc/59/77/88/1380597788.db2.gz LLFWHICZJYUOEQ-UHFFFAOYSA-N 1 0 333.351 3.249 20 5 EGBDRO CC(C)Oc1nc(NCCC[N@@H+]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC001156926321 1380730867 /nfs/dbraw/zinc/73/08/67/1380730867.db2.gz XPNDFRIFAKHAEJ-CQSZACIVSA-N 1 0 336.436 3.453 20 5 EGBDRO O=[N+]([O-])c1cnc(N(Cc2ccccc2)[C@H]2CCC[NH2+]C2)c(Cl)c1 ZINC001157426429 1380881637 /nfs/dbraw/zinc/88/16/37/1380881637.db2.gz QYKNZYMMKDKHEH-AWEZNQCLSA-N 1 0 346.818 3.402 20 5 EGBDRO CC(C)(C)CN(c1ncc([N+](=O)[O-])cc1Cl)C1CC[NH2+]CC1 ZINC001157883628 1381059177 /nfs/dbraw/zinc/05/91/77/1381059177.db2.gz WJFHTGULWUJPJT-UHFFFAOYSA-N 1 0 326.828 3.248 20 5 EGBDRO C[NH+](C)CC(C)(C)CNc1ccc(-c2ccccc2[N+](=O)[O-])nn1 ZINC001157944174 1381077246 /nfs/dbraw/zinc/07/72/46/1381077246.db2.gz DJZIEEREDYBJON-UHFFFAOYSA-N 1 0 329.404 3.052 20 5 EGBDRO [NH3+]Cc1ccc2ncn(-c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)c2c1 ZINC001158012207 1381103525 /nfs/dbraw/zinc/10/35/25/1381103525.db2.gz IZDWDFDZXLIOAN-UHFFFAOYSA-N 1 0 345.362 3.454 20 5 EGBDRO CC(C)N(c1ccc([N+](=O)[O-])c(-c2ccccc2)n1)[C@@H]1CC[NH2+]C1 ZINC001158035736 1381108674 /nfs/dbraw/zinc/10/86/74/1381108674.db2.gz XOOHIHWDSCBQBF-OAHLLOKOSA-N 1 0 326.400 3.234 20 5 EGBDRO CC1(C)C[C@@H](Nc2cnc3ccc([N+](=O)[O-])cc3n2)C[C@@](C)(C[NH3+])C1 ZINC001158269574 1381179134 /nfs/dbraw/zinc/17/91/34/1381179134.db2.gz SKMNQKGOELWJAH-KZULUSFZSA-N 1 0 343.431 3.494 20 5 EGBDRO C[NH+]1CCC(N(Cc2ccc(F)cc2)c2cccc([N+](=O)[O-])n2)CC1 ZINC001158445859 1381248115 /nfs/dbraw/zinc/24/81/15/1381248115.db2.gz LHPLXUJRXTXZDK-UHFFFAOYSA-N 1 0 344.390 3.230 20 5 EGBDRO COc1nc(N2CCC[C@H]([NH3+])c3cc(C)ccc32)ccc1[N+](=O)[O-] ZINC001158729705 1381372615 /nfs/dbraw/zinc/37/26/15/1381372615.db2.gz KMAUYVJJLYMPDO-ZDUSSCGKSA-N 1 0 328.372 3.239 20 5 EGBDRO Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1nc(Cl)ncc1[N+](=O)[O-] ZINC001158729919 1381372661 /nfs/dbraw/zinc/37/26/61/1381372661.db2.gz PRIMDXCASURXJL-NSHDSACASA-N 1 0 333.779 3.278 20 5 EGBDRO CC(C)CC(=O)NCCC1=CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001159111419 1381596099 /nfs/dbraw/zinc/59/60/99/1381596099.db2.gz NXHARRXDBUNDNH-UHFFFAOYSA-N 1 0 345.443 3.279 20 5 EGBDRO Cc1c(Nc2ccc3c(c2)C[NH2+]CC3)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001159615830 1381849266 /nfs/dbraw/zinc/84/92/66/1381849266.db2.gz LOFPCQJBVWMQRW-UHFFFAOYSA-N 1 0 328.328 3.201 20 5 EGBDRO O=[N+]([O-])c1ccc(F)c(Nc2ccccc2N2CC[NH2+]CC2)c1F ZINC001159814886 1381909319 /nfs/dbraw/zinc/90/93/19/1381909319.db2.gz WPXWAFSCMAXTHM-UHFFFAOYSA-N 1 0 334.326 3.026 20 5 EGBDRO [NH3+][C@@H]1CCc2c3ccccc3n(-c3cc([N+](=O)[O-])c4cc[nH]c4n3)c2C1 ZINC001159947503 1381946216 /nfs/dbraw/zinc/94/62/16/1381946216.db2.gz DABSPBSCEFNQCD-LLVKDONJSA-N 1 0 347.378 3.231 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1Nc1ccccc1N1CCC[C@@H]([NH3+])C1 ZINC001159977862 1381956745 /nfs/dbraw/zinc/95/67/45/1381956745.db2.gz GKOOOJFXMIYHIA-CYBMUJFWSA-N 1 0 342.399 3.275 20 5 EGBDRO COc1ccc(Nc2ccc(N3CCC[C@@H]([NH3+])C3)cc2)c([N+](=O)[O-])c1 ZINC001159987306 1381960115 /nfs/dbraw/zinc/96/01/15/1381960115.db2.gz WKEZIXQOTQIGQQ-CYBMUJFWSA-N 1 0 342.399 3.275 20 5 EGBDRO Nc1cccc(F)c1N(c1cc([N+](=O)[O-])ccc1F)C1CC[NH2+]CC1 ZINC001160046031 1381979523 /nfs/dbraw/zinc/97/95/23/1381979523.db2.gz IRZYZINTXMSYMA-UHFFFAOYSA-N 1 0 348.353 3.345 20 5 EGBDRO O=[N+]([O-])c1cccc(Nc2cccc(F)c2O[C@@H]2CC[NH2+]C2)c1F ZINC001160182031 1382026994 /nfs/dbraw/zinc/02/69/94/1382026994.db2.gz LMYFYSOKADSHDS-SNVBAGLBSA-N 1 0 335.310 3.357 20 5 EGBDRO Nc1ccc(Nc2cccc(O[C@@H]3CCC[NH2+]C3)c2)cc1[N+](=O)[O-] ZINC001160219872 1382037015 /nfs/dbraw/zinc/03/70/15/1382037015.db2.gz MRQNYVQPTXNKRW-OAHLLOKOSA-N 1 0 328.372 3.051 20 5 EGBDRO COc1ccc(Nc2cccc(O[C@H]3CCC[NH2+]C3)c2)c([N+](=O)[O-])c1 ZINC001160217014 1382037332 /nfs/dbraw/zinc/03/73/32/1382037332.db2.gz HJZIRBWSEUFXGU-INIZCTEOSA-N 1 0 343.383 3.478 20 5 EGBDRO Cc1cnc(Nc2ccc(Br)cc2C[NH3+])c([N+](=O)[O-])c1 ZINC001161851529 1382529741 /nfs/dbraw/zinc/52/97/41/1382529741.db2.gz BIQXAHXHAYVQTK-UHFFFAOYSA-N 1 0 337.177 3.263 20 5 EGBDRO Cc1nc(N[C@H]2CCC[C@@H]([NH3+])C2)c([N+](=O)[O-])c(C)c1Br ZINC001162402704 1382747985 /nfs/dbraw/zinc/74/79/85/1382747985.db2.gz VTZCTDUKWGJSHG-ZJUUUORDSA-N 1 0 343.225 3.051 20 5 EGBDRO COc1nc(C)c(-n2ccc3cc([C@H](C)[NH3+])ccc32)cc1[N+](=O)[O-] ZINC001162907900 1382912542 /nfs/dbraw/zinc/91/25/42/1382912542.db2.gz HVTRPVINJJJQPI-JTQLQIEISA-N 1 0 326.356 3.270 20 5 EGBDRO CC(C)(C)c1ccc(NCc2noc3c2C[NH2+]CC3)c([N+](=O)[O-])c1 ZINC001163131659 1382973149 /nfs/dbraw/zinc/97/31/49/1382973149.db2.gz JBJSGINSAYFZLB-UHFFFAOYSA-N 1 0 330.388 3.138 20 5 EGBDRO O=[N+]([O-])c1c(N[C@H]2C[NH2+]Cc3ccsc32)ccc2cnccc21 ZINC001163229990 1382999947 /nfs/dbraw/zinc/99/99/47/1382999947.db2.gz SPVCJXDNVUFREH-AWEZNQCLSA-N 1 0 326.381 3.461 20 5 EGBDRO CN(C)/C=C/c1cc(NC2CCC(C[NH+](C)C)CC2)ncc1[N+](=O)[O-] ZINC001163301647 1383016250 /nfs/dbraw/zinc/01/62/50/1383016250.db2.gz NCZSWQWFUVNLCS-MDZDMXLPSA-N 1 0 347.463 3.054 20 5 EGBDRO COc1cccc([C@H](C[NH3+])Nc2ccc3c(cccc3[N+](=O)[O-])n2)c1 ZINC001163304901 1383016890 /nfs/dbraw/zinc/01/68/90/1383016890.db2.gz AIYQBTUHSBLRFB-INIZCTEOSA-N 1 0 338.367 3.264 20 5 EGBDRO COc1cccc([C@@H](C[NH3+])Nc2ccc3c(cccc3[N+](=O)[O-])n2)c1 ZINC001163304903 1383016963 /nfs/dbraw/zinc/01/69/63/1383016963.db2.gz AIYQBTUHSBLRFB-MRXNPFEDSA-N 1 0 338.367 3.264 20 5 EGBDRO COc1cc(NC2CC[NH+](C[C@@H]3CC=CCC3)CC2)ncc1[N+](=O)[O-] ZINC001163315159 1383019769 /nfs/dbraw/zinc/01/97/69/1383019769.db2.gz KSXPIQVGHBDFDM-CQSZACIVSA-N 1 0 346.431 3.231 20 5 EGBDRO CC(C)[N@@H+]1CC[C@@H](Nc2ncnc3ccc([N+](=O)[O-])cc32)[C@H](C)C1 ZINC001163360551 1383029891 /nfs/dbraw/zinc/02/98/91/1383029891.db2.gz DWPMWQOLBIKVMW-IUODEOHRSA-N 1 0 329.404 3.069 20 5 EGBDRO CCOc1cnc(-n2c(C)c(C)c3cc(C[NH3+])ccc32)c([N+](=O)[O-])c1 ZINC001163757280 1383118530 /nfs/dbraw/zinc/11/85/30/1383118530.db2.gz RYHURYSWGUPMBY-UHFFFAOYSA-N 1 0 340.383 3.408 20 5 EGBDRO COc1ccc([N+](=O)[O-])nc1-n1c(C)c(C)c2cc(C[NH3+])ccc21 ZINC001163760883 1383119121 /nfs/dbraw/zinc/11/91/21/1383119121.db2.gz ALTLDMWXMOQSEV-UHFFFAOYSA-N 1 0 326.356 3.018 20 5 EGBDRO C[C@H]1CC[C@@H](C[NH3+])N(c2cc3ccc(Cl)nc3cc2[N+](=O)[O-])C1 ZINC001164080071 1383153941 /nfs/dbraw/zinc/15/39/41/1383153941.db2.gz YUQWFJFVOYMHAQ-JQWIXIFHSA-N 1 0 334.807 3.360 20 5 EGBDRO C[NH+]1CCC(C2CCN(c3ccc4[nH]cc([N+](=O)[O-])c4n3)CC2)CC1 ZINC001165065268 1383220555 /nfs/dbraw/zinc/22/05/55/1383220555.db2.gz GQKNRYALFIRDQV-UHFFFAOYSA-N 1 0 343.431 3.029 20 5 EGBDRO Cc1cc([N+](=O)[O-])cnc1N1C[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC001165083495 1383224366 /nfs/dbraw/zinc/22/43/66/1383224366.db2.gz GNPFVJVNFHMYCK-SJLPKXTDSA-N 1 0 338.411 3.009 20 5 EGBDRO CC(C)(C)[NH+]1CCN(c2nc(Cl)nc3ccc([N+](=O)[O-])cc32)CC1 ZINC001165087393 1383225465 /nfs/dbraw/zinc/22/54/65/1383225465.db2.gz BPXQASDTIIIEOV-UHFFFAOYSA-N 1 0 349.822 3.112 20 5 EGBDRO O=[N+]([O-])c1ccnc(N2CCC([N@@H+]3CCc4ccccc4C3)CC2)c1 ZINC001165147811 1383236986 /nfs/dbraw/zinc/23/69/86/1383236986.db2.gz KFTGPTVSRXBTSR-UHFFFAOYSA-N 1 0 338.411 3.017 20 5 EGBDRO C[NH+](C)C[C@]12C[C@H]1CN(c1cc(Cl)nc3ccc([N+](=O)[O-])cc31)C2 ZINC001165183430 1383243865 /nfs/dbraw/zinc/24/38/65/1383243865.db2.gz FFMIBQDEXRIVRX-GTNSWQLSSA-N 1 0 346.818 3.184 20 5 EGBDRO CCCC(CCC)C(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001165301445 1383268990 /nfs/dbraw/zinc/26/89/90/1383268990.db2.gz FRTVNVIWTWMZDB-UHFFFAOYSA-N 1 0 335.448 3.407 20 5 EGBDRO O=[N+]([O-])c1cnc(-n2c([C@@H]3CCC[NH2+]3)cc3ccccc32)c(F)c1 ZINC001166652008 1383453458 /nfs/dbraw/zinc/45/34/58/1383453458.db2.gz LIDFMUWAZFKBAU-AWEZNQCLSA-N 1 0 326.331 3.497 20 5 EGBDRO COc1cc(NC[C@H](c2ccccc2)[NH+]2CCCC2)cnc1[N+](=O)[O-] ZINC001166900551 1383496451 /nfs/dbraw/zinc/49/64/51/1383496451.db2.gz KTKNSSBISCNQIX-MRXNPFEDSA-N 1 0 342.399 3.247 20 5 EGBDRO C[NH2+]Cc1c(C)nn(-c2cc(Cl)nc3ccc([N+](=O)[O-])cc32)c1C ZINC001167099333 1383538332 /nfs/dbraw/zinc/53/83/32/1383538332.db2.gz YGJIMKIQOWRBKM-UHFFFAOYSA-N 1 0 345.790 3.318 20 5 EGBDRO [NH3+]CCc1cn(-c2cc([N+](=O)[O-])ccc2Cl)c2ccc(O)cc12 ZINC001167982472 1383786513 /nfs/dbraw/zinc/78/65/13/1383786513.db2.gz GAKDPCYMNOFADM-UHFFFAOYSA-N 1 0 331.759 3.399 20 5 EGBDRO COc1cc(N2C[C@H](CC[NH3+])c3ccccc32)cc([N+](=O)[O-])c1C ZINC001168550907 1383935503 /nfs/dbraw/zinc/93/55/03/1383935503.db2.gz XILRRCYVVSZUAY-ZDUSSCGKSA-N 1 0 327.384 3.496 20 5 EGBDRO C[NH+](C)[C@H]1CCCC[C@@H]1Nc1ccc(-c2cccc([N+](=O)[O-])c2)nn1 ZINC001168595884 1383944646 /nfs/dbraw/zinc/94/46/46/1383944646.db2.gz BYTCPAYCABOEKO-IRXDYDNUSA-N 1 0 341.415 3.337 20 5 EGBDRO N[C@H](c1ccccc1)[C@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccccc1 ZINC001168956859 1384070310 /nfs/dbraw/zinc/07/03/10/1384070310.db2.gz CEUGXWKMYRNYNX-HUYLIWGRSA-N 1 0 339.439 3.463 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+][C@@H](c2ccccc2)[C@H](O)c2ccccc2)C1 ZINC001168965030 1384072348 /nfs/dbraw/zinc/07/23/48/1384072348.db2.gz XKERKSDGZFXBHR-MVJPYGJCSA-N 1 0 340.423 3.496 20 5 EGBDRO Cc1cc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)ccc1Br ZINC001168987213 1384079960 /nfs/dbraw/zinc/07/99/60/1384079960.db2.gz HPZKCVFOMKUOCX-CHWSQXEVSA-N 1 0 327.222 3.293 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C2(c3ccccc3Cl)CCOCC2)C1 ZINC001168990666 1384080273 /nfs/dbraw/zinc/08/02/73/1384080273.db2.gz CZGXLXNECOCKLQ-ZIAGYGMSSA-N 1 0 338.835 3.381 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2ccc(Oc3ccccn3)cc2)C1 ZINC001168998388 1384083091 /nfs/dbraw/zinc/08/30/91/1384083091.db2.gz MCVWTTNPUHEWPD-HOTGVXAUSA-N 1 0 327.384 3.409 20 5 EGBDRO O=C(c1ccc(F)cc1)C1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169005353 1384085162 /nfs/dbraw/zinc/08/51/62/1384085162.db2.gz BBWXKYMYTKQLMI-SUMWQHHRSA-N 1 0 334.391 3.166 20 5 EGBDRO CC1([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CCN(Cc2ccccc2)CC1 ZINC001169006797 1384085792 /nfs/dbraw/zinc/08/57/92/1384085792.db2.gz ZCPHEALURJMGIL-MSOLQXFVSA-N 1 0 331.460 3.076 20 5 EGBDRO COc1cccc(OCC2CC[NH+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)c1 ZINC001169038826 1384098487 /nfs/dbraw/zinc/09/84/87/1384098487.db2.gz KTYUGJXKVSIJEB-DLBZAZTESA-N 1 0 348.443 3.231 20 5 EGBDRO COC(=O)c1cccc(C2CC[NH+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)c1 ZINC001169039676 1384098573 /nfs/dbraw/zinc/09/85/73/1384098573.db2.gz SCOYDXQOLDAHPQ-KBXCAEBGSA-N 1 0 346.427 3.098 20 5 EGBDRO CN(Cc1ccc(F)cc1)C1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169049140 1384100608 /nfs/dbraw/zinc/10/06/08/1384100608.db2.gz VZMXLPZCCOBEHL-QFBILLFUSA-N 1 0 349.450 3.167 20 5 EGBDRO CC1(C)C[C@H](Nc2ccc3nc[nH]c3c2[N+](=O)[O-])C[C@@](C)(C[NH3+])C1 ZINC001169152119 1384115519 /nfs/dbraw/zinc/11/55/19/1384115519.db2.gz OTEOIXDRMHSQMZ-APPDUMDISA-N 1 0 331.420 3.427 20 5 EGBDRO Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1c[n+]([O-])c(Cl)cc1[N+](=O)[O-] ZINC001169683395 1384173399 /nfs/dbraw/zinc/17/33/99/1384173399.db2.gz LRHRHINHUIJEBU-LBPRGKRZSA-N 1 0 348.790 3.122 20 5 EGBDRO COc1cnc(N2CCC[C@H]([NH3+])c3cc(C)ccc32)cc1[N+](=O)[O-] ZINC001169684437 1384173532 /nfs/dbraw/zinc/17/35/32/1384173532.db2.gz IZILQGANQNLYQH-ZDUSSCGKSA-N 1 0 328.372 3.239 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2cccc3c2OCO3)c([N+](=O)[O-])c1 ZINC001170305869 1384287077 /nfs/dbraw/zinc/28/70/77/1384287077.db2.gz RAKWNLNKRNCALZ-GFCCVEGCSA-N 1 0 344.367 3.053 20 5 EGBDRO COc1ccc(C[C@H](C)n2ncc3c2cccc3C[NH3+])c([N+](=O)[O-])c1 ZINC001170305524 1384287207 /nfs/dbraw/zinc/28/72/07/1384287207.db2.gz MJSGIWWHOMHVDC-LBPRGKRZSA-N 1 0 340.383 3.216 20 5 EGBDRO COc1ccc(C[C@H](C)n2cc3ccc(C[NH3+])cc3n2)c([N+](=O)[O-])c1 ZINC001170314556 1384289466 /nfs/dbraw/zinc/28/94/66/1384289466.db2.gz WIFSSMFIAPGKQO-LBPRGKRZSA-N 1 0 340.383 3.216 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)N3C)c([N+](=O)[O-])c1 ZINC001170317962 1384289742 /nfs/dbraw/zinc/28/97/42/1384289742.db2.gz MZDPOUMGLHRHJA-DZUCGIPZSA-N 1 0 347.459 3.139 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+]C[C@H]2CCOC(C)(C)C2)c([N+](=O)[O-])c1 ZINC001170322882 1384290717 /nfs/dbraw/zinc/29/07/17/1384290717.db2.gz IADUKGQKJQPXPO-KBPBESRZSA-N 1 0 336.432 3.329 20 5 EGBDRO COc1ccc(C[C@H](C)[N@H+](CCO)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC001170327125 1384292019 /nfs/dbraw/zinc/29/20/19/1384292019.db2.gz FBFROVWZKBLUPQ-HNNXBMFYSA-N 1 0 344.411 3.029 20 5 EGBDRO COc1ccc(C[C@H](C)[N@H+](C(C)C)C2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC001170351454 1384297896 /nfs/dbraw/zinc/29/78/96/1384297896.db2.gz CJJXPVTYDVYASU-HNNXBMFYSA-N 1 0 349.475 3.339 20 5 EGBDRO COc1ccc(C[C@H](C)n2ccnc2[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001170353091 1384299564 /nfs/dbraw/zinc/29/95/64/1384299564.db2.gz VQRRDNRIVBPPLI-DZGCQCFKSA-N 1 0 344.415 3.071 20 5 EGBDRO COC(=O)c1cc(NC2CC(C)(C)[NH+](C)C(C)(C)C2)cc([N+](=O)[O-])c1 ZINC001170452097 1384322437 /nfs/dbraw/zinc/32/24/37/1384322437.db2.gz XGLLGFKMMYCMGB-UHFFFAOYSA-N 1 0 349.431 3.445 20 5 EGBDRO [NH3+][C@@H]1CCc2c3ccccc3n(-c3ccc4ncc([N+](=O)[O-])n4c3)c2C1 ZINC001171095413 1384444865 /nfs/dbraw/zinc/44/48/65/1384444865.db2.gz TVQDMSQSQYRXPR-GFCCVEGCSA-N 1 0 347.378 3.002 20 5 EGBDRO [NH3+][C@H]1CCc2c3ccccc3n(-c3ccc4nc[nH]c4c3[N+](=O)[O-])c2C1 ZINC001171101411 1384445967 /nfs/dbraw/zinc/44/59/67/1384445967.db2.gz ZORPYGGXGFDLPJ-NSHDSACASA-N 1 0 347.378 3.231 20 5 EGBDRO COc1c([N+](=O)[O-])cc(Cl)c(C)c1-n1cc2ccc(C[NH3+])cc2n1 ZINC001171322746 1384494593 /nfs/dbraw/zinc/49/45/93/1384494593.db2.gz FJFCCUZSZUHQGO-UHFFFAOYSA-N 1 0 346.774 3.363 20 5 EGBDRO Cc1cc(C)c(C[NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)c(=O)[nH]1 ZINC001172895176 1384872891 /nfs/dbraw/zinc/87/28/91/1384872891.db2.gz ACOYTEHSGXFYOG-MRXNPFEDSA-N 1 0 341.411 3.349 20 5 EGBDRO O=C(C[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1ccc(O)cc1 ZINC001172904846 1384875500 /nfs/dbraw/zinc/87/55/00/1384875500.db2.gz GLGXCBDJCBRPTC-MRXNPFEDSA-N 1 0 340.379 3.020 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@H]1CCCC3(C1)OCCO3)CC2 ZINC001172904577 1384875591 /nfs/dbraw/zinc/87/55/91/1384875591.db2.gz YGEBFLAEJLGMJO-SJORKVTESA-N 1 0 346.427 3.118 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]Cc1cncc(Cl)n1)CC2 ZINC001172913024 1384876670 /nfs/dbraw/zinc/87/66/70/1384876670.db2.gz SOHACCKJHBDQLS-ZDUSSCGKSA-N 1 0 332.791 3.075 20 5 EGBDRO O=C1CCC[C@@H]2C[N@@H+]([C@@H]3CCc4ccc([N+](=O)[O-])cc4CC3)C[C@H]12 ZINC001172914131 1384876762 /nfs/dbraw/zinc/87/67/62/1384876762.db2.gz ZTJLFFBIIQMWPJ-NUJGCVRESA-N 1 0 328.412 3.143 20 5 EGBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH2+][C@H]3CC[C@@H](F)C3)CC2)c(F)c1 ZINC001173006223 1384897277 /nfs/dbraw/zinc/89/72/77/1384897277.db2.gz PRUMYWRJCHUIPY-PWSUYJOCSA-N 1 0 343.349 3.322 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C[C@@H]2CCC[C@H]2F)c1F ZINC001173174654 1384930894 /nfs/dbraw/zinc/93/08/94/1384930894.db2.gz ADFYELASRLWLPN-NTZNESFSSA-N 1 0 328.359 3.401 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CC[C@@H]2CCCCO2)c1F ZINC001173177879 1384931607 /nfs/dbraw/zinc/93/16/07/1384931607.db2.gz YCBDMOZYAVKIIS-STQMWFEESA-N 1 0 340.395 3.222 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC2(CC(F)(F)CO2)CC1 ZINC001173221038 1384938480 /nfs/dbraw/zinc/93/84/80/1384938480.db2.gz FLQQCDDFFPHEMJ-CYBMUJFWSA-N 1 0 340.370 3.416 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2cc3c(cc2C1)OCO3 ZINC001173221078 1384938535 /nfs/dbraw/zinc/93/85/35/1384938535.db2.gz GAVBWWCJGCJXST-CYBMUJFWSA-N 1 0 340.379 3.313 20 5 EGBDRO CC[C@@H]1[N@@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CCC[C@]12CCC(=O)N2 ZINC001173224753 1384939289 /nfs/dbraw/zinc/93/92/89/1384939289.db2.gz IIQZUBLANLOIIB-FNHZYXHNSA-N 1 0 345.443 3.049 20 5 EGBDRO COC(=O)CC[N@H+](Cc1ccco1)[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173227547 1384939968 /nfs/dbraw/zinc/93/99/68/1384939968.db2.gz QMOAITXXCXHZGA-CQSZACIVSA-N 1 0 346.383 3.184 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(C(=O)C(F)(F)F)CC1 ZINC001173226323 1384940087 /nfs/dbraw/zinc/94/00/87/1384940087.db2.gz IGBJUPWJZURMET-NSHDSACASA-N 1 0 344.333 3.369 20 5 EGBDRO CCc1nc(C2CC[NH+]([C@@H](C)Cc3ccc([N+](=O)[O-])cc3)CC2)no1 ZINC001173231269 1384940742 /nfs/dbraw/zinc/94/07/42/1384940742.db2.gz AIRXXOCTKSJTLJ-ZDUSSCGKSA-N 1 0 344.415 3.351 20 5 EGBDRO CCOC(=O)C[N@H+]([C@H](C)Cc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC001173230803 1384940867 /nfs/dbraw/zinc/94/08/67/1384940867.db2.gz GOJSHDZVLSWLHU-CQSZACIVSA-N 1 0 334.416 3.334 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(c2ccn(C)n2)CC1 ZINC001173233573 1384941564 /nfs/dbraw/zinc/94/15/64/1384941564.db2.gz XLXZMVYAAWPOMI-AWEZNQCLSA-N 1 0 328.416 3.139 20 5 EGBDRO C[NH+]1CCN(c2cccc(Nc3ccc(/C=C/[N+](=O)[O-])cc3)c2)CC1 ZINC001175902257 1385432464 /nfs/dbraw/zinc/43/24/64/1385432464.db2.gz KJWXGJCTTAGKJD-MDZDMXLPSA-N 1 0 338.411 3.429 20 5 EGBDRO O=C(NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1)C12CCC(CC1)CC2 ZINC001176698519 1385662818 /nfs/dbraw/zinc/66/28/18/1385662818.db2.gz SQVHUDDRVVYSTK-UHFFFAOYSA-N 1 0 345.443 3.161 20 5 EGBDRO CCc1ccsc1C(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001176838889 1385720157 /nfs/dbraw/zinc/72/01/57/1385720157.db2.gz GTUBOCZSNVMQAE-UHFFFAOYSA-N 1 0 347.440 3.128 20 5 EGBDRO O=C1[C@H]([N@@H+]2CC[C@H]3CCCC[C@@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC001319293048 1386047253 /nfs/dbraw/zinc/04/72/53/1386047253.db2.gz VEBXECJZWRYVQQ-IIDMSEBBSA-N 1 0 343.427 3.212 20 5 EGBDRO COC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC001321077473 1386802480 /nfs/dbraw/zinc/80/24/80/1386802480.db2.gz XMPYDJFAQGANGR-ZFWWWQNUSA-N 1 0 344.367 3.286 20 5 EGBDRO CC[NH+](CC)C1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001322695059 1387226722 /nfs/dbraw/zinc/22/67/22/1387226722.db2.gz PPZQQKSDPVLQPA-UHFFFAOYSA-N 1 0 347.459 3.205 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1-c1noc([C@H]2C[C@@]23CCC[NH2+]C3)n1 ZINC001329950604 1389270429 /nfs/dbraw/zinc/27/04/29/1389270429.db2.gz OLTVGNFBBXJLPE-CXAGYDPISA-N 1 0 328.372 3.119 20 5 EGBDRO CC(C)[N@H+](C)Cc1ccccc1CNc1cc(N)c([N+](=O)[O-])cn1 ZINC001337811326 1389450774 /nfs/dbraw/zinc/45/07/74/1389450774.db2.gz YVQNONFRNNHCBC-UHFFFAOYSA-N 1 0 329.404 3.024 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1-c1nc([C@H]2C[NH+]3CCC2CC3)no1 ZINC001337824425 1389453969 /nfs/dbraw/zinc/45/39/69/1389453969.db2.gz NNCRCFUQBWKEBN-ZDUSSCGKSA-N 1 0 346.412 3.176 20 5 EGBDRO Cc1csc(CCC[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)n1 ZINC001331054096 1389612021 /nfs/dbraw/zinc/61/20/21/1389612021.db2.gz VBIHDZIUEZNJRM-UHFFFAOYSA-N 1 0 332.385 3.223 20 5 EGBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C[NH+](C)C)cc1C ZINC001332135505 1390002572 /nfs/dbraw/zinc/00/25/72/1390002572.db2.gz IXCNCJSYJVLODL-UHFFFAOYSA-N 1 0 342.399 3.259 20 5 EGBDRO C[C@@H]1C[C@@H](Nc2ncnc3c(Cl)cc([N+](=O)[O-])cc23)C[N@@H+]1C1CC1 ZINC001333707882 1390379355 /nfs/dbraw/zinc/37/93/55/1390379355.db2.gz MUTGLUZGNSJOAA-NXEZZACHSA-N 1 0 347.806 3.229 20 5 EGBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC(Nc3ccccc3Cl)CC2)n1 ZINC001340924949 1390405777 /nfs/dbraw/zinc/40/57/77/1390405777.db2.gz JPQAWILECVVFKB-UHFFFAOYSA-N 1 0 349.822 3.021 20 5 EGBDRO C[NH+](C)[C@H]1CCC[C@@H](Nc2ncnc3c(Cl)cc([N+](=O)[O-])cc23)C1 ZINC001347219613 1391030539 /nfs/dbraw/zinc/03/05/39/1391030539.db2.gz KYNWRURFDPDDJU-MNOVXSKESA-N 1 0 349.822 3.476 20 5 EGBDRO CC[N@H+](C)C[C@H]1CCN(c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC001353200683 1391957262 /nfs/dbraw/zinc/95/72/62/1391957262.db2.gz GJLLTUSQMQMASE-LLVKDONJSA-N 1 0 331.338 3.392 20 5 EGBDRO CC/C(C)=C\C(=O)N1CCC(C)([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001755127035 1440756548 /nfs/dbraw/zinc/75/65/48/1440756548.db2.gz CQOHMJHDMMTBCK-QINSGFPZSA-N 1 0 345.443 3.422 20 5 EGBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1c1cc2ccc(Cl)nc2cc1[N+](=O)[O-] ZINC001164634536 719253928 /nfs/dbraw/zinc/25/39/28/719253928.db2.gz MTJRFTWDEOBXLZ-QWRGUYRKSA-N 1 0 334.807 3.325 20 5 EGBDRO CC(C)C[NH+]1CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1 ZINC001164657446 719339891 /nfs/dbraw/zinc/33/98/91/719339891.db2.gz MKTDTBKLKNDUBO-UHFFFAOYSA-N 1 0 340.427 3.435 20 5 EGBDRO O=[N+]([O-])c1cnc(Cl)cc1N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001165049712 721967181 /nfs/dbraw/zinc/96/71/81/721967181.db2.gz VTNMGQVNWBEBEF-ZDUSSCGKSA-N 1 0 338.839 3.488 20 5 EGBDRO NC(=O)C[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000368137073 168315818 /nfs/dbraw/zinc/31/58/18/168315818.db2.gz XAXFBJDTQYWMFQ-GFCCVEGCSA-N 1 0 345.424 3.021 20 5 EGBDRO O=[N+]([O-])c1cccc(Cl)c1NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000368389777 168350552 /nfs/dbraw/zinc/35/05/52/168350552.db2.gz YRDVCBYBNIAFMH-GFCCVEGCSA-N 1 0 339.823 3.161 20 5 EGBDRO NC(=O)c1ccc(C[N@@H+]2CCC[C@@H]2C2CCCCC2)c([N+](=O)[O-])c1 ZINC000053211796 214170427 /nfs/dbraw/zinc/17/04/27/214170427.db2.gz WAJGYQMHMIYJKL-MRXNPFEDSA-N 1 0 331.416 3.238 20 5 EGBDRO C[NH+](C)C[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000338355803 282132083 /nfs/dbraw/zinc/13/20/83/282132083.db2.gz KMRVGFBZWXEZRF-INIZCTEOSA-N 1 0 346.362 3.158 20 5 EGBDRO O=[N+]([O-])c1ccn(C2CC[NH+](CCCc3cccc(F)c3)CC2)n1 ZINC000369680949 168464581 /nfs/dbraw/zinc/46/45/81/168464581.db2.gz GKFOAECKNDEAJY-UHFFFAOYSA-N 1 0 332.379 3.200 20 5 EGBDRO C[C@H](c1ccco1)[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000181663440 234275329 /nfs/dbraw/zinc/27/53/29/234275329.db2.gz COMMNAPGFBSMOE-LLVKDONJSA-N 1 0 335.335 3.349 20 5 EGBDRO C[C@H]([NH2+]Cc1ccc(N2CCOC2=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000183736300 235211130 /nfs/dbraw/zinc/21/11/30/235211130.db2.gz UINHHKKCAKMSRK-ZDUSSCGKSA-N 1 0 341.367 3.402 20 5 EGBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)[C@H](c1ccccc1)[NH+](C)C ZINC000187168247 236136058 /nfs/dbraw/zinc/13/60/58/236136058.db2.gz DTJOLRVGDKVWFG-SUMWQHHRSA-N 1 0 327.384 3.016 20 5 EGBDRO [NH3+]C1(CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCCCC1 ZINC000159692252 283406397 /nfs/dbraw/zinc/40/63/97/283406397.db2.gz MHHOHYSMOLOSNR-UHFFFAOYSA-N 1 0 345.321 3.005 20 5 EGBDRO Cc1nn(C)c(N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000267524492 201223832 /nfs/dbraw/zinc/22/38/32/201223832.db2.gz RIDKKVARTNRCKS-CZUORRHYSA-N 1 0 343.431 3.102 20 5 EGBDRO COC(=O)[C@H]1CC[C@@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000193497814 240189573 /nfs/dbraw/zinc/18/95/73/240189573.db2.gz NSKLNZHOTKOAIG-QWHCGFSZSA-N 1 0 344.367 3.286 20 5 EGBDRO COC(=O)[C@H]1CC[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000193506138 240194118 /nfs/dbraw/zinc/19/41/18/240194118.db2.gz GHSCSVJAVRBYTR-UONOGXRCSA-N 1 0 344.367 3.286 20 5 EGBDRO CCCC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](C)c1ccccc1 ZINC000075674676 203322543 /nfs/dbraw/zinc/32/25/43/203322543.db2.gz UWSZSPJQANKCLU-YJBOKZPZSA-N 1 0 346.431 3.016 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@@H]3CCCC[C@H]3O)cs2)c1 ZINC000077465856 203389161 /nfs/dbraw/zinc/38/91/61/203389161.db2.gz LREXFTVFOYYDOY-XJKSGUPXSA-N 1 0 347.440 3.359 20 5 EGBDRO O=[N+]([O-])c1c2cccnc2ccc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000078424960 203417589 /nfs/dbraw/zinc/41/75/89/203417589.db2.gz OCPPKDOIPFQXRB-OAHLLOKOSA-N 1 0 340.427 3.455 20 5 EGBDRO C[C@@H]1SCCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])[C@H]1C ZINC000118420556 204275545 /nfs/dbraw/zinc/27/55/45/204275545.db2.gz FMWGDBJSUTZRNI-UWVGGRQHSA-N 1 0 343.836 3.013 20 5 EGBDRO CSCC[C@H](C)[N@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000126384021 205052375 /nfs/dbraw/zinc/05/23/75/205052375.db2.gz FDRGRJCZHVMTTO-NSHDSACASA-N 1 0 336.417 3.218 20 5 EGBDRO CC(C)(C)[NH+]1CCC(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000136539707 205507020 /nfs/dbraw/zinc/50/70/20/205507020.db2.gz SVWJKIWFKUSNEX-UHFFFAOYSA-N 1 0 339.823 3.241 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000155800869 206034390 /nfs/dbraw/zinc/03/43/90/206034390.db2.gz OLORXZMXAKLSIZ-HNNXBMFYSA-N 1 0 337.383 3.017 20 5 EGBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](CO)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000158237268 206180680 /nfs/dbraw/zinc/18/06/80/206180680.db2.gz BWJMKZMEWPUIJR-WMLDXEAASA-N 1 0 344.411 3.248 20 5 EGBDRO O=[N+]([O-])c1ccccc1Sc1nnc([C@H]2CCC[NH2+]C2)n1C1CC1 ZINC000265496793 247554270 /nfs/dbraw/zinc/55/42/70/247554270.db2.gz XACUTKPBFRSXTQ-NSHDSACASA-N 1 0 345.428 3.139 20 5 EGBDRO CC(C)(C)OC1CC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000162282942 206392934 /nfs/dbraw/zinc/39/29/34/206392934.db2.gz NQUYDUQDFQXCTG-UHFFFAOYSA-N 1 0 349.431 3.203 20 5 EGBDRO Cc1ccc(NC(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)cc1[N+](=O)[O-] ZINC000164184134 206486190 /nfs/dbraw/zinc/48/61/90/206486190.db2.gz GZYHCLQYOMKGSG-CQSZACIVSA-N 1 0 334.420 3.003 20 5 EGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(CC(=O)N2CCCC2)CC1 ZINC000266511725 248338105 /nfs/dbraw/zinc/33/81/05/248338105.db2.gz FCUVDZDMTGDRCB-HNNXBMFYSA-N 1 0 345.443 3.380 20 5 EGBDRO Cc1ccccc1NC(=O)CC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000174724971 207050163 /nfs/dbraw/zinc/05/01/63/207050163.db2.gz XTNXZDKANHOVRO-UHFFFAOYSA-N 1 0 327.384 3.364 20 5 EGBDRO CCC[N@H+](C)C[C@@H]1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000176282055 207210885 /nfs/dbraw/zinc/21/08/85/207210885.db2.gz IMVBKYMMGGDHGK-ZDUSSCGKSA-N 1 0 325.840 3.412 20 5 EGBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177233694 207310697 /nfs/dbraw/zinc/31/06/97/207310697.db2.gz PPLSYNMITLUAII-UHFFFAOYSA-N 1 0 345.443 3.051 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177239937 207311742 /nfs/dbraw/zinc/31/17/42/207311742.db2.gz NAYYKAPDSWNOIQ-UHFFFAOYSA-N 1 0 345.443 3.430 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)COCc2ccccc2)cc1[N+](=O)[O-] ZINC000178653395 207514298 /nfs/dbraw/zinc/51/42/98/207514298.db2.gz SCKKXVPRRRJDSB-MAUKXSAKSA-N 1 0 344.411 3.132 20 5 EGBDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000179215860 207593923 /nfs/dbraw/zinc/59/39/23/207593923.db2.gz CFAWFMMKSSLQRC-QWRGUYRKSA-N 1 0 333.413 3.009 20 5 EGBDRO O=[N+]([O-])c1ccc2nc(N3CCC([C@H]4CCC[NH2+]4)CC3)ccc2c1 ZINC000261663848 285148559 /nfs/dbraw/zinc/14/85/59/285148559.db2.gz KVCUJMUOWBUPQJ-MRXNPFEDSA-N 1 0 326.400 3.111 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(c2ccncc2)CC1 ZINC000191642210 533219991 /nfs/dbraw/zinc/21/99/91/533219991.db2.gz AVRLKWLJPBQZQF-UHFFFAOYSA-N 1 0 327.384 3.378 20 5 EGBDRO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])s1)[C@H](c1ccccc1)[NH+](C)C ZINC000187193645 533292853 /nfs/dbraw/zinc/29/28/53/533292853.db2.gz KKLVPDAKKLNHEE-IAQYHMDHSA-N 1 0 333.413 3.078 20 5 EGBDRO Cc1ccc([C@@H](C)NC(=O)C[C@H](C)C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000237527223 141006303 /nfs/dbraw/zinc/00/63/03/141006303.db2.gz FFVMBBOXTVRLGX-UONOGXRCSA-N 1 0 333.432 3.106 20 5 EGBDRO COc1ccc(C[NH2+][C@@H](C)c2ccc([S@@](C)=O)cc2)cc1[N+](=O)[O-] ZINC000339499041 141123120 /nfs/dbraw/zinc/12/31/20/141123120.db2.gz BHYLWRLZNRXDOA-FNODVLLQSA-N 1 0 348.424 3.192 20 5 EGBDRO O=C1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CN1c1ccccc1Cl ZINC000342978055 141154634 /nfs/dbraw/zinc/15/46/34/141154634.db2.gz IYWJBQXMAFYYEZ-CYBMUJFWSA-N 1 0 345.786 3.143 20 5 EGBDRO C[C@@H](NC(=O)Nc1ccn2ccnc2c1)c1cccc([N+](=O)[O-])c1 ZINC000353346813 141291871 /nfs/dbraw/zinc/29/18/71/141291871.db2.gz ICHWJDZXAITJIE-LLVKDONJSA-N 1 0 325.328 3.125 20 5 EGBDRO CC[C@@H](C)[NH2+][C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000353348550 141292410 /nfs/dbraw/zinc/29/24/10/141292410.db2.gz HPCBQDZCBUFPHX-IUODEOHRSA-N 1 0 346.387 3.439 20 5 EGBDRO CCOC(=O)c1coc(CNCc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000354609682 141314138 /nfs/dbraw/zinc/31/41/38/141314138.db2.gz ZONVLWIJWWQPMR-UHFFFAOYSA-N 1 0 338.747 3.308 20 5 EGBDRO CCOc1ccc(NC(=O)CN2CCC[C@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000172855623 144030487 /nfs/dbraw/zinc/03/04/87/144030487.db2.gz IOCRBEQJGHWIGI-STQMWFEESA-N 1 0 335.404 3.052 20 5 EGBDRO Cc1c(NC(=O)NC2CC[NH+](C3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000175088595 144057779 /nfs/dbraw/zinc/05/77/79/144057779.db2.gz VRQXBXQBYKTCHD-UHFFFAOYSA-N 1 0 346.431 3.432 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000175111815 144058384 /nfs/dbraw/zinc/05/83/84/144058384.db2.gz CHQAZXVJTYGAGA-CYBMUJFWSA-N 1 0 330.388 3.096 20 5 EGBDRO COc1ccc(-c2ccc(C[NH2+][C@H]3CCSC3)o2)c([N+](=O)[O-])c1 ZINC000344769804 144222389 /nfs/dbraw/zinc/22/23/89/144222389.db2.gz ILGCSAATVTUGEP-NSHDSACASA-N 1 0 334.397 3.459 20 5 EGBDRO CNC(=O)c1cccc(C[NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)c1 ZINC000344886513 144237382 /nfs/dbraw/zinc/23/73/82/144237382.db2.gz VJKQPQXWZWRKDR-NTEUORMPSA-N 1 0 339.395 3.148 20 5 EGBDRO CC(C)[NH+](CCN(C)Cc1c(F)cc([N+](=O)[O-])cc1F)C(C)C ZINC000351752290 144301685 /nfs/dbraw/zinc/30/16/85/144301685.db2.gz PBOUTTUZRZCWPX-UHFFFAOYSA-N 1 0 329.391 3.424 20 5 EGBDRO COc1ccccc1[C@H](CNc1c(F)cccc1[N+](=O)[O-])[NH+](C)C ZINC000341341172 155241937 /nfs/dbraw/zinc/24/19/37/155241937.db2.gz FRCXYAVYDBCXKP-HNNXBMFYSA-N 1 0 333.363 3.457 20 5 EGBDRO CC[C@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000117343104 152094679 /nfs/dbraw/zinc/09/46/79/152094679.db2.gz BZTHIMUYIPGUCF-AWEZNQCLSA-N 1 0 349.431 3.444 20 5 EGBDRO Cc1cnccc1NC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000120415317 152274298 /nfs/dbraw/zinc/27/42/98/152274298.db2.gz NMKPNWWHTHALLU-UHFFFAOYSA-N 1 0 326.356 3.495 20 5 EGBDRO Cc1c(C(=O)NCc2ccc(C[NH+](C)C)c(F)c2)cccc1[N+](=O)[O-] ZINC000121769569 152370898 /nfs/dbraw/zinc/37/08/98/152370898.db2.gz PFECITQCSGUVRX-UHFFFAOYSA-N 1 0 345.374 3.034 20 5 EGBDRO C[C@@H]1CCCC[C@@H]1[NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000162328003 152780160 /nfs/dbraw/zinc/78/01/60/152780160.db2.gz YFGUYMAZEVNUNR-OCCSQVGLSA-N 1 0 333.388 3.061 20 5 EGBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000302999033 154033951 /nfs/dbraw/zinc/03/39/51/154033951.db2.gz MMDNZJJLRZEQLS-MJBXVCDLSA-N 1 0 334.420 3.083 20 5 EGBDRO CC(C)(C)[C@H]1CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000303671397 154053254 /nfs/dbraw/zinc/05/32/54/154053254.db2.gz PGUYUNMRTNENOL-HNNXBMFYSA-N 1 0 333.432 3.342 20 5 EGBDRO CC[NH+](CC)[C@@H](CNc1ncccc1[N+](=O)[O-])Cc1ccccc1 ZINC000338427638 154686614 /nfs/dbraw/zinc/68/66/14/154686614.db2.gz YJIASAZYQZREME-MRXNPFEDSA-N 1 0 328.416 3.355 20 5 EGBDRO [NH3+]CCN(Cc1nc2ccc(F)cc2s1)c1ccccc1[N+](=O)[O-] ZINC000348933719 156293249 /nfs/dbraw/zinc/29/32/49/156293249.db2.gz KURNRHMVPSXYKJ-UHFFFAOYSA-N 1 0 346.387 3.309 20 5 EGBDRO Cc1nn2c(nc(C)c2C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000358253710 156774964 /nfs/dbraw/zinc/77/49/64/156774964.db2.gz HFXCSYOTIHETRZ-UHFFFAOYSA-N 1 0 345.428 3.341 20 5 EGBDRO O=[N+]([O-])c1cnc(N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)s1 ZINC000368590718 157230514 /nfs/dbraw/zinc/23/05/14/157230514.db2.gz DQGXQAAUMYTRLA-GJZGRUSLSA-N 1 0 344.440 3.010 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@]1(C)CCO[C@H]1C1CC1 ZINC000368765536 157285174 /nfs/dbraw/zinc/28/51/74/157285174.db2.gz PNNJTWGSGXDOKN-ZWKOTPCHSA-N 1 0 334.416 3.288 20 5 EGBDRO CCOc1cc(C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)ccc1[N+](=O)[O-] ZINC000372803443 157386974 /nfs/dbraw/zinc/38/69/74/157386974.db2.gz CPYOIGHDGMXNKQ-CQSZACIVSA-N 1 0 330.388 3.096 20 5 EGBDRO CC[N@H+](C)Cc1cccc(CNC(=O)c2cccc(C)c2[N+](=O)[O-])c1 ZINC000067679281 161599749 /nfs/dbraw/zinc/59/97/49/161599749.db2.gz NEILGGWVXFSDCK-UHFFFAOYSA-N 1 0 341.411 3.285 20 5 EGBDRO C[C@H](CCO)[N@H+](CCOc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000093311115 162001766 /nfs/dbraw/zinc/00/17/66/162001766.db2.gz PPAUWBIHWGJVDO-MRXNPFEDSA-N 1 0 344.411 3.247 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2c[nH]nc2-c2ccc(F)cc2)cc1 ZINC000105448285 162055776 /nfs/dbraw/zinc/05/57/76/162055776.db2.gz NDKIAOMIZVFFSV-UHFFFAOYSA-N 1 0 340.358 3.456 20 5 EGBDRO Cc1ccc(C[N@@H+](C)[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000303435800 163066369 /nfs/dbraw/zinc/06/63/69/163066369.db2.gz XVTROQLPMXKWRD-SFHVURJKSA-N 1 0 339.395 3.141 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@H]3CCC[C@H](O)C3)cs2)c1 ZINC000304261735 163067697 /nfs/dbraw/zinc/06/76/97/163067697.db2.gz BZGLAMBLIGNRCI-LRDDRELGSA-N 1 0 347.440 3.359 20 5 EGBDRO C[C@@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338349712 163219554 /nfs/dbraw/zinc/21/95/54/163219554.db2.gz GGZMLAMBSHCLRE-XHSDSOJGSA-N 1 0 347.459 3.247 20 5 EGBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCC[C@@H](C2CC2)C1 ZINC000343992656 164078176 /nfs/dbraw/zinc/07/81/76/164078176.db2.gz NHQLFLMDYKDTNG-CQSZACIVSA-N 1 0 345.399 3.015 20 5 EGBDRO COc1ccc(-c2ccc(C[NH2+]C[C@@]3(C)CCOC3)o2)c([N+](=O)[O-])c1 ZINC000344387659 164168073 /nfs/dbraw/zinc/16/80/73/164168073.db2.gz SKLPBQGDZKRBCL-GOSISDBHSA-N 1 0 346.383 3.380 20 5 EGBDRO COc1ccc(-c2ccc(C[NH2+]CC[C@H](O)C(C)C)o2)c([N+](=O)[O-])c1 ZINC000344451010 164181487 /nfs/dbraw/zinc/18/14/87/164181487.db2.gz BOGLXRPJZKZNSV-KRWDZBQOSA-N 1 0 348.399 3.360 20 5 EGBDRO C[C@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000346226509 164359891 /nfs/dbraw/zinc/35/98/91/164359891.db2.gz XAJZBPJOBBJGHT-VXGBXAGGSA-N 1 0 339.823 3.098 20 5 EGBDRO O=C(NCCC[NH2+]C1CCCCC1)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000347290493 164474541 /nfs/dbraw/zinc/47/45/41/164474541.db2.gz TZBJFSKQWZFEEI-UHFFFAOYSA-N 1 0 338.383 3.168 20 5 EGBDRO CC[N@@H+]1CC[C@H](N(C)Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000352012947 165192101 /nfs/dbraw/zinc/19/21/01/165192101.db2.gz HFOWTMXRYNWNLV-RYUDHWBXSA-N 1 0 327.375 3.178 20 5 EGBDRO CC[N@@H+]1CC[C@H](N(C)Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000352012945 165192625 /nfs/dbraw/zinc/19/26/25/165192625.db2.gz HFOWTMXRYNWNLV-NEPJUHHUSA-N 1 0 327.375 3.178 20 5 EGBDRO C[C@@]1(c2ccccc2)CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000352186482 165275775 /nfs/dbraw/zinc/27/57/75/165275775.db2.gz MHMBGXCDSCFNHV-GOSISDBHSA-N 1 0 328.416 3.235 20 5 EGBDRO CC(C)[C@@H](Cc1ccc(F)cc1)[N@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000355333049 166167365 /nfs/dbraw/zinc/16/73/65/166167365.db2.gz OUOJJQHZGTYJBN-OAHLLOKOSA-N 1 0 334.395 3.167 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@@H](CO)CC3CCC3)o2)c1 ZINC000355561107 166245000 /nfs/dbraw/zinc/24/50/00/166245000.db2.gz HSWXVZBHKQDBPH-OAHLLOKOSA-N 1 0 330.384 3.496 20 5 EGBDRO CC(C)[NH+](CCN(C)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C(C)C ZINC000355860785 166330785 /nfs/dbraw/zinc/33/07/85/166330785.db2.gz HQFWZWLJRGNDDM-UHFFFAOYSA-N 1 0 341.839 3.439 20 5 EGBDRO CCC1(CC)[C@H]([NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@@H]1OC ZINC000359429676 167153917 /nfs/dbraw/zinc/15/39/17/167153917.db2.gz RBHCZJZQRIVATJ-WQVCFCJDSA-N 1 0 349.431 3.105 20 5 EGBDRO COc1ccccc1[C@@H](CNc1nc(C)ccc1[N+](=O)[O-])[NH+](C)C ZINC000360668645 167383770 /nfs/dbraw/zinc/38/37/70/167383770.db2.gz IPGORSWOWFXQOV-OAHLLOKOSA-N 1 0 330.388 3.022 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]Cc2cccc(-n3cncn3)c2)cc1[N+](=O)[O-] ZINC000366299645 168104061 /nfs/dbraw/zinc/10/40/61/168104061.db2.gz PBMLXFCIBCHWQJ-AWEZNQCLSA-N 1 0 337.383 3.335 20 5 EGBDRO CCC[N@H+](C)C[C@@H]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000176280553 265166840 /nfs/dbraw/zinc/16/68/40/265166840.db2.gz BTFDGAXNYGYPHP-ZDUSSCGKSA-N 1 0 325.840 3.412 20 5 EGBDRO Cc1c(NC(=O)[C@@H](C)[N@H+]2C[C@@H]3CCCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000177550254 265262083 /nfs/dbraw/zinc/26/20/83/265262083.db2.gz RRJYFOBSEXPQNS-KFWWJZLASA-N 1 0 331.416 3.352 20 5 EGBDRO Cc1c(NC(=O)NCC2(C[NH+](C)C)CCCC2)cccc1[N+](=O)[O-] ZINC000183872694 265449351 /nfs/dbraw/zinc/44/93/51/265449351.db2.gz KEIUWRQYIMUZCU-UHFFFAOYSA-N 1 0 334.420 3.147 20 5 EGBDRO CCCC[N@H+](C)CC1CCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000193634529 266049443 /nfs/dbraw/zinc/04/94/43/266049443.db2.gz FUXXSQWRCGKLAV-UHFFFAOYSA-N 1 0 339.461 3.240 20 5 EGBDRO COc1cccc(C(=O)Nc2ccc(C)cc2C[NH+](C)C)c1[N+](=O)[O-] ZINC000194366202 266110961 /nfs/dbraw/zinc/11/09/61/266110961.db2.gz FIWQLWNCDNGNMG-UHFFFAOYSA-N 1 0 343.383 3.226 20 5 EGBDRO CCC[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000269649266 266333173 /nfs/dbraw/zinc/33/31/73/266333173.db2.gz MABMZXQIFWIWFP-XDNAFOTISA-N 1 0 348.443 3.154 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CC[C@@H](c3ccccc3F)C2)c1 ZINC000269659417 266336473 /nfs/dbraw/zinc/33/64/73/266336473.db2.gz PQMXBTMMTSPYDB-KDOFPFPSSA-N 1 0 330.359 3.257 20 5 EGBDRO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000272450068 266846248 /nfs/dbraw/zinc/84/62/48/266846248.db2.gz JKNMKBBWQCXNGZ-KBPBESRZSA-N 1 0 349.431 3.330 20 5 EGBDRO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)[C@@]12CCCO2 ZINC000274245812 267205526 /nfs/dbraw/zinc/20/55/26/267205526.db2.gz RMLPXHMUMHKNRG-RNJTYBCJSA-N 1 0 334.416 3.280 20 5 EGBDRO CC(C)OC(=O)C[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000274330265 267218237 /nfs/dbraw/zinc/21/82/37/267218237.db2.gz QTBFXUQDTIKYCH-CYBMUJFWSA-N 1 0 338.379 3.288 20 5 EGBDRO CCC(C)(C)[NH2+][C@@H](C)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000274842904 267294716 /nfs/dbraw/zinc/29/47/16/267294716.db2.gz UNJJKBAEWADGIU-NSHDSACASA-N 1 0 341.839 3.074 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000276391848 267535316 /nfs/dbraw/zinc/53/53/16/267535316.db2.gz IPJKPXKQHDOSCS-GFCCVEGCSA-N 1 0 334.420 3.065 20 5 EGBDRO C[C@@H]1C[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC(C)(C)C1 ZINC000344048575 274358359 /nfs/dbraw/zinc/35/83/59/274358359.db2.gz YZZIYPSTXSMCMX-XJKSGUPXSA-N 1 0 331.416 3.068 20 5 EGBDRO Cc1ccc(C[NH2+][C@H](C)c2ccc(NC(N)=O)cc2)cc1[N+](=O)[O-] ZINC000125162862 274743337 /nfs/dbraw/zinc/74/33/37/274743337.db2.gz FXAJBDLPKDELEA-GFCCVEGCSA-N 1 0 328.372 3.245 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc(Cl)cc2-n2cncn2)cc1 ZINC000354541340 275035614 /nfs/dbraw/zinc/03/56/14/275035614.db2.gz LIJOASNXLGRSPK-UHFFFAOYSA-N 1 0 343.774 3.119 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]([NH+]3CCCCC3)C2)c2ncccc12 ZINC000264539830 275036789 /nfs/dbraw/zinc/03/67/89/275036789.db2.gz AKCYGSFRTFHTGJ-CQSZACIVSA-N 1 0 326.400 3.208 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CC[C@H]([NH+]3CCCCC3)C2)c2ncccc12 ZINC000264539827 275036838 /nfs/dbraw/zinc/03/68/38/275036838.db2.gz AKCYGSFRTFHTGJ-AWEZNQCLSA-N 1 0 326.400 3.208 20 5 EGBDRO COC[C@@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@H]1CCCO1 ZINC000278660803 275263153 /nfs/dbraw/zinc/26/31/53/275263153.db2.gz NFDOPVUULVLPAE-CRAIPNDOSA-N 1 0 346.383 3.138 20 5 EGBDRO CC(C)(C)[S@](=O)CC[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000278965996 275291876 /nfs/dbraw/zinc/29/18/76/275291876.db2.gz BPYWHFGXJVPRAU-NPMXOYFQSA-N 1 0 338.473 3.454 20 5 EGBDRO Cc1c(NC(=O)CC[N@H+]2CCSCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000279217347 275313615 /nfs/dbraw/zinc/31/36/15/275313615.db2.gz HQAKIBFPAYNCSJ-LBPRGKRZSA-N 1 0 337.445 3.059 20 5 EGBDRO Cc1ccc([C@H](C)NC(=O)N(C)CCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000281806998 275578025 /nfs/dbraw/zinc/57/80/25/275578025.db2.gz IFMURDNCOKIBJX-HNNXBMFYSA-N 1 0 348.447 3.092 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@]2(CO)CCCc3ccccc32)cc1F ZINC000282548397 275646056 /nfs/dbraw/zinc/64/60/56/275646056.db2.gz SDPJITDTGKRYGZ-SFHVURJKSA-N 1 0 330.359 3.048 20 5 EGBDRO C[C@H]([NH2+]C[C@@H](c1ccccc1)N(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283690496 275744910 /nfs/dbraw/zinc/74/49/10/275744910.db2.gz AEWAHQZWPBJEEY-UGSOOPFHSA-N 1 0 328.416 3.131 20 5 EGBDRO COc1ccc(COCC[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000285000893 275841110 /nfs/dbraw/zinc/84/11/10/275841110.db2.gz GUKZHWYRBQFDSP-CYBMUJFWSA-N 1 0 345.399 3.053 20 5 EGBDRO CCOC[C@@H]([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C(C)C ZINC000286236707 275967978 /nfs/dbraw/zinc/96/79/78/275967978.db2.gz RRDZLVOFFPREOP-MRXNPFEDSA-N 1 0 333.388 3.401 20 5 EGBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1c1ccc([N+](=O)[O-])c2cnccc21 ZINC000286299150 275978192 /nfs/dbraw/zinc/97/81/92/275978192.db2.gz GAVYXLPOLYVFPA-CZUORRHYSA-N 1 0 326.400 3.206 20 5 EGBDRO CC(C)c1ccc(C(=O)NC2CC[NH+](C3CC3)CC2)cc1[N+](=O)[O-] ZINC000188956620 276050483 /nfs/dbraw/zinc/05/04/83/276050483.db2.gz ZAGZYENLXSWFFE-UHFFFAOYSA-N 1 0 331.416 3.075 20 5 EGBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)C[C@@H]1C ZINC000355256022 276248303 /nfs/dbraw/zinc/24/83/03/276248303.db2.gz QJRTZCZJCAVPEZ-KBPBESRZSA-N 1 0 333.432 3.075 20 5 EGBDRO COCCOCc1ccc(C[NH2+]Cc2ccccc2[N+](=O)[O-])cc1 ZINC000289847464 276405297 /nfs/dbraw/zinc/40/52/97/276405297.db2.gz VACLDUZQWYWFNU-UHFFFAOYSA-N 1 0 330.384 3.048 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1COc3ccccc3[C@H]1O)CCC2 ZINC000290341521 276482532 /nfs/dbraw/zinc/48/25/32/276482532.db2.gz PMQOAFJEYUSXJT-ZIFCJYIRSA-N 1 0 340.379 3.056 20 5 EGBDRO C[NH+]1CCC(N(Cc2ccco2)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000290609631 276519107 /nfs/dbraw/zinc/51/91/07/276519107.db2.gz WKRJHDINFGQBDY-UHFFFAOYSA-N 1 0 329.400 3.284 20 5 EGBDRO COC(C)(C)C[C@@H](C)[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000121970504 277177276 /nfs/dbraw/zinc/17/72/76/277177276.db2.gz LQQVPBVDKVVFPS-QWHCGFSZSA-N 1 0 337.420 3.105 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(O[C@@H]2CCOC2)CC1 ZINC000352546419 278866908 /nfs/dbraw/zinc/86/69/08/278866908.db2.gz UYKVVSLQCKCBKW-WMLDXEAASA-N 1 0 334.416 3.234 20 5 EGBDRO [NH3+]CCN(Cc1cc(Cl)cc2c1OCC2)c1ccccc1[N+](=O)[O-] ZINC000348919342 303381370 /nfs/dbraw/zinc/38/13/70/303381370.db2.gz GFEMXSFOSNJHPH-UHFFFAOYSA-N 1 0 347.802 3.148 20 5 EGBDRO C[N@H+](CCC(=O)Nc1ccc(F)cc1)Cc1ccccc1[N+](=O)[O-] ZINC000051383342 307330713 /nfs/dbraw/zinc/33/07/13/307330713.db2.gz AJLZQTJKISGYHN-UHFFFAOYSA-N 1 0 331.347 3.195 20 5 EGBDRO C[C@@H]([NH2+][C@@H](C)C(=O)NCc1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000056196611 307342723 /nfs/dbraw/zinc/34/27/23/307342723.db2.gz XHMUKCGMAKZBQL-NEPJUHHUSA-N 1 0 333.413 3.012 20 5 EGBDRO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000063626743 307355280 /nfs/dbraw/zinc/35/52/80/307355280.db2.gz CXGRGMKJCLEFNH-HNNXBMFYSA-N 1 0 349.431 3.332 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](CC(C)C)C1 ZINC000072492235 307379325 /nfs/dbraw/zinc/37/93/25/307379325.db2.gz PRFKIHNGBQVDIK-AWEZNQCLSA-N 1 0 349.431 3.300 20 5 EGBDRO Cc1cc(NC2CC[NH+](CCc3ccccc3)CC2)ncc1[N+](=O)[O-] ZINC000074740361 307395516 /nfs/dbraw/zinc/39/55/16/307395516.db2.gz BINOXGCWWCBYHM-UHFFFAOYSA-N 1 0 340.427 3.417 20 5 EGBDRO C[C@@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1cc2n(n1)CCC2 ZINC000414104607 309061122 /nfs/dbraw/zinc/06/11/22/309061122.db2.gz ZGZAXEPZMLZXSH-CQSZACIVSA-N 1 0 328.416 3.411 20 5 EGBDRO C[C@H]([NH2+]C[C@@H](Cc1ccccc1)N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000132967140 307665402 /nfs/dbraw/zinc/66/54/02/307665402.db2.gz DTTHRPZFFBVBFP-HNAYVOBHSA-N 1 0 327.428 3.418 20 5 EGBDRO COc1cc(OC)cc(OCCC[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC000151149016 307729059 /nfs/dbraw/zinc/72/90/59/307729059.db2.gz KXIFULMSAPERAV-UHFFFAOYSA-N 1 0 346.383 3.171 20 5 EGBDRO COc1ccc([C@H](CO)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000414189005 309065683 /nfs/dbraw/zinc/06/56/83/309065683.db2.gz QUOXKYFLHTYIAV-BBRMVZONSA-N 1 0 330.384 3.030 20 5 EGBDRO CC(C)NC(=O)[C@H](C)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000414542866 309087715 /nfs/dbraw/zinc/08/77/15/309087715.db2.gz LSESUHYINKPFRW-LBPRGKRZSA-N 1 0 347.440 3.326 20 5 EGBDRO C[C@@H]1C[C@H](C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)[C@H](C)O1 ZINC000414522303 309086242 /nfs/dbraw/zinc/08/62/42/309086242.db2.gz XDEVBJHZWIAMDA-OUAUKWLOSA-N 1 0 330.331 3.099 20 5 EGBDRO C[C@H]([NH2+]C[C@]1(C)OCCc2sccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294415155 308218856 /nfs/dbraw/zinc/21/88/56/308218856.db2.gz UAZRUBBUKKVJOI-GTNSWQLSSA-N 1 0 347.440 3.377 20 5 EGBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000295061766 308286823 /nfs/dbraw/zinc/28/68/23/308286823.db2.gz UCQCVEDUUWMLFD-LBPRGKRZSA-N 1 0 339.823 3.052 20 5 EGBDRO C[C@@H]1[C@@H](CO)CCC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000414587701 309090768 /nfs/dbraw/zinc/09/07/68/309090768.db2.gz VILSAIGSEKCNPK-ZIAGYGMSSA-N 1 0 330.384 3.448 20 5 EGBDRO C[C@H](CCC[NH3+])NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000295284589 308310955 /nfs/dbraw/zinc/31/09/55/308310955.db2.gz TWYQPLILUTXDTN-CYBMUJFWSA-N 1 0 342.399 3.196 20 5 EGBDRO Cc1ccc(C[NH2+]C2(CO)C3CC4CC(C3)CC2C4)cc1[N+](=O)[O-] ZINC000414549999 309088287 /nfs/dbraw/zinc/08/82/87/309088287.db2.gz IQBMOJBDRFDTRH-UHFFFAOYSA-N 1 0 330.428 3.180 20 5 EGBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1nccc2cc([N+](=O)[O-])ccc21 ZINC000295663818 308348299 /nfs/dbraw/zinc/34/82/99/308348299.db2.gz IPFOCKJGIIKBFW-CJNGLKHVSA-N 1 0 326.400 3.206 20 5 EGBDRO CC(C)C[C@H]([NH3+])c1noc(-c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)n1 ZINC000414623028 309092119 /nfs/dbraw/zinc/09/21/19/309092119.db2.gz NEIFDBANPPWOOG-LBPRGKRZSA-N 1 0 342.359 3.081 20 5 EGBDRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000414662355 309094305 /nfs/dbraw/zinc/09/43/05/309094305.db2.gz RCPSSIRMGNCTKG-INIZCTEOSA-N 1 0 342.399 3.287 20 5 EGBDRO C[NH2+]CCNCc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000414821527 309103817 /nfs/dbraw/zinc/10/38/17/309103817.db2.gz FFDUWKWCVNXTLE-UHFFFAOYSA-N 1 0 335.791 3.350 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCC[C@@H]([NH+]3CCCC3)C2)c2ccncc21 ZINC000301119413 308688859 /nfs/dbraw/zinc/68/88/59/308688859.db2.gz VZUDMYAHWBMVMZ-CQSZACIVSA-N 1 0 326.400 3.208 20 5 EGBDRO Cc1cc(NCC[NH+]2CCCCC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301143959 308689705 /nfs/dbraw/zinc/68/97/05/308689705.db2.gz DVXSNPUKKMPVIH-UHFFFAOYSA-N 1 0 341.415 3.258 20 5 EGBDRO O=[N+]([O-])c1ccsc1NCC1([NH+]2CCCCC2)CCOCC1 ZINC000302005162 308724905 /nfs/dbraw/zinc/72/49/05/308724905.db2.gz KPXXNTZHXXUBBY-UHFFFAOYSA-N 1 0 325.434 3.103 20 5 EGBDRO Cc1cc(N[C@@H]2CC(=O)N(C(C)(C)C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302209275 308733393 /nfs/dbraw/zinc/73/33/93/308733393.db2.gz XXXJERFOKURXQP-GFCCVEGCSA-N 1 0 342.399 3.263 20 5 EGBDRO Cc1cc(NC(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000331395523 308805760 /nfs/dbraw/zinc/80/57/60/308805760.db2.gz MOPIDIZIXBFGPH-YOEHRIQHSA-N 1 0 346.431 3.289 20 5 EGBDRO CCc1cnc(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)s1 ZINC000331590836 308811300 /nfs/dbraw/zinc/81/13/00/308811300.db2.gz KQWSZNBSSLJHFT-CHWSQXEVSA-N 1 0 335.433 3.084 20 5 EGBDRO O=[N+]([O-])c1ccccc1N1CC[NH+](CCCCC2CCOCC2)CC1 ZINC000410315039 308916110 /nfs/dbraw/zinc/91/61/10/308916110.db2.gz QSEILDBBFSACFH-UHFFFAOYSA-N 1 0 347.459 3.314 20 5 EGBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NC(C)(C)CCC[NH+](C)C)c1 ZINC000411050169 308924451 /nfs/dbraw/zinc/92/44/51/308924451.db2.gz QSIICZGYNAJCRM-UHFFFAOYSA-N 1 0 339.461 3.167 20 5 EGBDRO CC(C)(CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)[NH+]1CCCCC1 ZINC000411146251 308928508 /nfs/dbraw/zinc/92/85/08/308928508.db2.gz NEQGTPAZXWYFFP-DLBZAZTESA-N 1 0 345.443 3.079 20 5 EGBDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000411538423 308943357 /nfs/dbraw/zinc/94/33/57/308943357.db2.gz BGIUOLMQJRBSIX-FHLIZLRMSA-N 1 0 347.459 3.325 20 5 EGBDRO O=[N+]([O-])c1cnc(NC[C@H](c2cccs2)[NH+]2CCCC2)c(F)c1 ZINC000413028219 309012294 /nfs/dbraw/zinc/01/22/94/309012294.db2.gz OOWIROMYZOJSQL-CYBMUJFWSA-N 1 0 336.392 3.439 20 5 EGBDRO O=[N+]([O-])c1cnc(N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c(C(F)(F)F)c1 ZINC000413062226 309014048 /nfs/dbraw/zinc/01/40/48/309014048.db2.gz RADBQLLHPBJUFC-NEPJUHHUSA-N 1 0 330.310 3.047 20 5 EGBDRO O=[N+]([O-])c1cnc(Nc2cccc(C[NH+]3CCSCC3)c2)c(F)c1 ZINC000413120334 309017112 /nfs/dbraw/zinc/01/71/12/309017112.db2.gz QKDLFBABWNJXCG-UHFFFAOYSA-N 1 0 348.403 3.421 20 5 EGBDRO O=[N+]([O-])c1cnc(NC[C@@H]2CCCC[N@@H+]2C2CC2)c(C(F)(F)F)c1 ZINC000413267013 309024282 /nfs/dbraw/zinc/02/42/82/309024282.db2.gz PGDZXJJTQBFGTK-NSHDSACASA-N 1 0 344.337 3.437 20 5 EGBDRO Cc1cc(N2CCN(c3ncccc3[N+](=O)[O-])CC2)c2ccccc2[nH+]1 ZINC000413336097 309027387 /nfs/dbraw/zinc/02/73/87/309027387.db2.gz QDBUKBNIROKNDE-UHFFFAOYSA-N 1 0 349.394 3.173 20 5 EGBDRO O=[N+]([O-])c1cccc(CN[C@@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)c1 ZINC000414958207 309111441 /nfs/dbraw/zinc/11/14/41/309111441.db2.gz WJVCWLOHDZSKPO-MAUKXSAKSA-N 1 0 347.365 3.108 20 5 EGBDRO C[NH2+]Cc1ccccc1NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000415913534 309148058 /nfs/dbraw/zinc/14/80/58/309148058.db2.gz PTBDVVHRRRVURH-UHFFFAOYSA-N 1 0 342.399 3.371 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCCOC[C@H]1CCOC1)CCCC2 ZINC000417318633 309201428 /nfs/dbraw/zinc/20/14/28/309201428.db2.gz ZGZHYQKTKIKJCI-BEFAXECRSA-N 1 0 348.443 3.395 20 5 EGBDRO CO[C@@H]1COCC[C@H]1C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417349807 309202628 /nfs/dbraw/zinc/20/26/28/309202628.db2.gz MQMYWAVLJIDIDI-JCGIZDLHSA-N 1 0 334.416 3.003 20 5 EGBDRO C[C@@H]1[C@@H](C)[C@H](C)C[N@@H+]1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000418112693 309236000 /nfs/dbraw/zinc/23/60/00/309236000.db2.gz BRBKZOPEVDQNPZ-HZSPNIEDSA-N 1 0 328.416 3.472 20 5 EGBDRO Cc1cc(N(C)CC[C@@H]([NH3+])C(C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000420205015 309277145 /nfs/dbraw/zinc/27/71/45/309277145.db2.gz MNVCQIDKSZFGCC-MRXNPFEDSA-N 1 0 343.431 3.170 20 5 EGBDRO Cc1cc(N2CCC([C@H](C)[NH3+])CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420216515 309277331 /nfs/dbraw/zinc/27/73/31/309277331.db2.gz MAYDONMELYESCT-JTQLQIEISA-N 1 0 331.338 3.486 20 5 EGBDRO CC[C@H]([NH3+])CNc1ccc(C(=O)Nc2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000420255369 309278232 /nfs/dbraw/zinc/27/82/32/309278232.db2.gz BDEHDXYOWCVQSJ-AWEZNQCLSA-N 1 0 342.399 3.305 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](CCO)CC1 ZINC000421023035 309308557 /nfs/dbraw/zinc/30/85/57/309308557.db2.gz VTWAWARMEXNFJL-OAHLLOKOSA-N 1 0 336.432 3.367 20 5 EGBDRO CCCN1C[C@@H](C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1=O ZINC000421877339 309344619 /nfs/dbraw/zinc/34/46/19/309344619.db2.gz KPEYINHESZWTGS-CXAGYDPISA-N 1 0 345.443 3.165 20 5 EGBDRO CCCN1C[C@H](C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1=O ZINC000421877346 309344735 /nfs/dbraw/zinc/34/47/35/309344735.db2.gz KPEYINHESZWTGS-GUYCJALGSA-N 1 0 345.443 3.165 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCCC[NH2+]C1CCCCC1 ZINC000422117975 309355090 /nfs/dbraw/zinc/35/50/90/309355090.db2.gz HEVNEERNAPFHAA-UHFFFAOYSA-N 1 0 333.432 3.254 20 5 EGBDRO C[C@@H](NC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000422989496 309379619 /nfs/dbraw/zinc/37/96/19/309379619.db2.gz LZIQBPMNRVJUMN-CXAGYDPISA-N 1 0 341.411 3.498 20 5 EGBDRO C[NH2+]CCc1ccccc1C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000423274441 309393572 /nfs/dbraw/zinc/39/35/72/309393572.db2.gz KMYMACOXAWMULG-AWEZNQCLSA-N 1 0 341.411 3.156 20 5 EGBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2NCC[NH2+]C2CCCCCC2)n1 ZINC000423282996 309393972 /nfs/dbraw/zinc/39/39/72/309393972.db2.gz VNUIAPHYJUAKCD-SJORKVTESA-N 1 0 349.479 3.177 20 5 EGBDRO CC(C)c1ccc(C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000423695953 309410019 /nfs/dbraw/zinc/41/00/19/309410019.db2.gz CDLQDDWHLLANEM-HOTGVXAUSA-N 1 0 345.443 3.180 20 5 EGBDRO Cc1cc(C[NH3+])cc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000424247380 309434373 /nfs/dbraw/zinc/43/43/73/309434373.db2.gz UIWOSPQCSPJAPP-UHFFFAOYSA-N 1 0 327.384 3.278 20 5 EGBDRO CCC1(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCOCC1 ZINC000426304211 309503965 /nfs/dbraw/zinc/50/39/65/309503965.db2.gz QMUYGMCWMANSDX-GJZGRUSLSA-N 1 0 336.436 3.071 20 5 EGBDRO COC[C@H]([NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)[C@H]1CCCO1 ZINC000433007934 309675362 /nfs/dbraw/zinc/67/53/62/309675362.db2.gz WXUHVQWLNZQTMM-IXDOHACOSA-N 1 0 334.416 3.101 20 5 EGBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]Cc2cc(C(F)(F)F)n[nH]2)cc1 ZINC000440814927 309856971 /nfs/dbraw/zinc/85/69/71/309856971.db2.gz QZPDQWCFACQSIW-UHFFFAOYSA-N 1 0 342.321 3.449 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@]1(CO)CCCc2ccccc21 ZINC000441372046 309869994 /nfs/dbraw/zinc/86/99/94/309869994.db2.gz WOQVNQGPFZKBNI-ATYVUACHSA-N 1 0 338.407 3.422 20 5 EGBDRO C[C@H](Cc1ccc(F)cc1)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446830315 309968772 /nfs/dbraw/zinc/96/87/72/309968772.db2.gz QZLZKWKOYCWWDG-LLVKDONJSA-N 1 0 328.347 3.331 20 5 EGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCN(Cc2ccccc2)C1 ZINC000449063786 310034035 /nfs/dbraw/zinc/03/40/35/310034035.db2.gz NUPRNBNDIGYYLI-LPHOPBHVSA-N 1 0 339.439 3.390 20 5 EGBDRO CCNC(=O)c1ccc(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000449080836 310035554 /nfs/dbraw/zinc/03/55/54/310035554.db2.gz ZOHCDRQXYLKJQD-CQSZACIVSA-N 1 0 341.411 3.065 20 5 EGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCN(c2ccccc2)C1 ZINC000449125067 310038744 /nfs/dbraw/zinc/03/87/44/310038744.db2.gz ICFDPXFQDAMRGX-RDJZCZTQSA-N 1 0 325.412 3.394 20 5 EGBDRO Cc1cn2c(n1)[C@H](C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])CCC2 ZINC000449166082 310041657 /nfs/dbraw/zinc/04/16/57/310041657.db2.gz BSILXJUIGSJUHE-CJNGLKHVSA-N 1 0 328.416 3.198 20 5 EGBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H]2CCC[C@@H]2Cc2ccc(Cl)cc2)c1 ZINC000449196694 310043831 /nfs/dbraw/zinc/04/38/31/310043831.db2.gz SLWXQGTYSATZBJ-PBHICJAKSA-N 1 0 348.834 3.446 20 5 EGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccc(N2CCC2=O)c1 ZINC000449305785 310052049 /nfs/dbraw/zinc/05/20/49/310052049.db2.gz UBPDJZGPACONAC-AWEZNQCLSA-N 1 0 339.395 3.052 20 5 EGBDRO C[C@H]([NH2+]C1CCN(Cc2cccnc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000449348304 310055971 /nfs/dbraw/zinc/05/59/71/310055971.db2.gz LSLRPNGFXPMWMC-HNNXBMFYSA-N 1 0 340.427 3.305 20 5 EGBDRO COc1ccc(-c2ccc(C[NH2+]CCC(C)(C)CO)o2)c([N+](=O)[O-])c1 ZINC000449406786 310059412 /nfs/dbraw/zinc/05/94/12/310059412.db2.gz CLBZRWPJYXLMKR-UHFFFAOYSA-N 1 0 348.399 3.362 20 5 EGBDRO CCN(C)C(=O)[C@@H]([NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1)C(C)C ZINC000449442040 310062334 /nfs/dbraw/zinc/06/23/34/310062334.db2.gz VSFQENDKROHLJR-KRWDZBQOSA-N 1 0 335.448 3.311 20 5 EGBDRO Cn1cc(Cl)c(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])n1 ZINC000449476100 310065147 /nfs/dbraw/zinc/06/51/47/310065147.db2.gz GDLJGOLDBJMNSH-DOMZBBRYSA-N 1 0 348.834 3.483 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]1CCOC2(CCC2)C1 ZINC000449475925 310065160 /nfs/dbraw/zinc/06/51/60/310065160.db2.gz LYWFJBGZUJXWQN-AWEZNQCLSA-N 1 0 334.416 3.432 20 5 EGBDRO COC(=O)C(C)(C)CC[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000449494666 310066702 /nfs/dbraw/zinc/06/67/02/310066702.db2.gz BBNWNGYFJZEQCD-OAHLLOKOSA-N 1 0 334.416 3.364 20 5 EGBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1ccc2c(c1)C[NH2+]C2 ZINC000449668033 310079339 /nfs/dbraw/zinc/07/93/39/310079339.db2.gz SDQHGAGCVNDNBC-UHFFFAOYSA-N 1 0 340.383 3.029 20 5 EGBDRO O=[N+]([O-])c1cccc2c1ccnc2NCC1CC[NH+](C2CC2)CC1 ZINC000450483866 310125356 /nfs/dbraw/zinc/12/53/56/310125356.db2.gz JPFJKNJORJUWAE-UHFFFAOYSA-N 1 0 326.400 3.429 20 5 EGBDRO COc1cc(C[NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)c([N+](=O)[O-])cc1F ZINC000451474831 310180235 /nfs/dbraw/zinc/18/02/35/310180235.db2.gz BMGBXGLVTRGKRT-HFBAOOFYSA-N 1 0 338.379 3.036 20 5 EGBDRO CO[C@@]1(C)C[C@H]([NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1(C)C ZINC000451481148 310180513 /nfs/dbraw/zinc/18/05/13/310180513.db2.gz AGVIQQZZPSFKOA-YJBOKZPZSA-N 1 0 349.431 3.025 20 5 EGBDRO CO[C@@H]1C[C@@H]([NH2+]Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1(C)C ZINC000451485894 310180591 /nfs/dbraw/zinc/18/05/91/310180591.db2.gz DFTWUIZAYFYLPZ-HUUCEWRRSA-N 1 0 331.372 3.153 20 5 EGBDRO CO[C@@H]1C[C@H]([NH2+]Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1(C)C ZINC000451485895 310180678 /nfs/dbraw/zinc/18/06/78/310180678.db2.gz DFTWUIZAYFYLPZ-LSDHHAIUSA-N 1 0 331.372 3.153 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H]1C[C@H](OC(C)C)C1(C)C ZINC000451508479 310181855 /nfs/dbraw/zinc/18/18/55/310181855.db2.gz XHSJWYODXDNAHB-HOTGVXAUSA-N 1 0 349.431 3.023 20 5 EGBDRO C[C@H](C(=O)NC1CCCC1)[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451547648 310185038 /nfs/dbraw/zinc/18/50/38/310185038.db2.gz LIUUQRYSQYDGBS-GDBMZVCRSA-N 1 0 345.443 3.222 20 5 EGBDRO Cc1cc(=O)[nH]c([C@@H](C)[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000451552632 310185764 /nfs/dbraw/zinc/18/57/64/310185764.db2.gz WUETWMGSQGBAQV-UKRRQHHQSA-N 1 0 342.399 3.339 20 5 EGBDRO Cc1cc(=O)[nH]c([C@@H](C)[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000451552631 310185826 /nfs/dbraw/zinc/18/58/26/310185826.db2.gz WUETWMGSQGBAQV-HIFRSBDPSA-N 1 0 342.399 3.339 20 5 EGBDRO CCO[C@@H]1CCCC[C@H]1[NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000452039107 310208923 /nfs/dbraw/zinc/20/89/23/310208923.db2.gz ZOMASLATEQCTIL-FRFSOERESA-N 1 0 349.431 3.168 20 5 EGBDRO CC(C)(C)C[C@H]1CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000452074595 310210574 /nfs/dbraw/zinc/21/05/74/310210574.db2.gz HGSNBNKQSOUXIC-HUUCEWRRSA-N 1 0 336.432 3.093 20 5 EGBDRO Cc1c(C(=O)N[C@@H](CC(C)C)C[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000452342685 310224370 /nfs/dbraw/zinc/22/43/70/310224370.db2.gz RBFZYVKSGMZBNI-HNNXBMFYSA-N 1 0 333.432 3.144 20 5 EGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000453295245 310269604 /nfs/dbraw/zinc/26/96/04/310269604.db2.gz XUUJPLVKSZVAOW-HUUCEWRRSA-N 1 0 347.459 3.139 20 5 EGBDRO C[C@H](NC(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000454473404 310311601 /nfs/dbraw/zinc/31/16/01/310311601.db2.gz CHOGUEDWKSVKSI-ZNMIVQPWSA-N 1 0 348.447 3.218 20 5 EGBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC(C)(C)CCC[NH+](C)C ZINC000456166229 310391506 /nfs/dbraw/zinc/39/15/06/310391506.db2.gz JEMHYYLNUQXJEM-INIZCTEOSA-N 1 0 349.475 3.400 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C(C)C)C1(CO)CCCC1 ZINC000459518700 310557945 /nfs/dbraw/zinc/55/79/45/310557945.db2.gz CRAZYHAXGLNBNJ-KRWDZBQOSA-N 1 0 336.432 3.270 20 5 EGBDRO CC(C)O[C@H]1C[C@@H]([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000459629666 310565085 /nfs/dbraw/zinc/56/50/85/310565085.db2.gz HJSIOTHHMIAZHH-WOVMCDHWSA-N 1 0 344.415 3.041 20 5 EGBDRO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000462857414 310606803 /nfs/dbraw/zinc/60/68/03/310606803.db2.gz HJXRGVUOZRYWSZ-INIZCTEOSA-N 1 0 340.427 3.217 20 5 EGBDRO C[NH+](C)C1(CNc2ccc([N+](=O)[O-])cc2F)Cc2ccccc2C1 ZINC000462887004 310607236 /nfs/dbraw/zinc/60/72/36/310607236.db2.gz HTCGMTSGVQCIQC-UHFFFAOYSA-N 1 0 329.375 3.245 20 5 EGBDRO CC[NH+](CC)Cc1ccc(CNc2ccc([N+](=O)[O-])c(C)n2)cc1 ZINC000471626629 310740431 /nfs/dbraw/zinc/74/04/31/310740431.db2.gz JXVWTEQGVNTOGS-UHFFFAOYSA-N 1 0 328.416 3.174 20 5 EGBDRO C[C@@H]([NH2+]CC1(N(C)C)Cc2ccccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000483724960 310956131 /nfs/dbraw/zinc/95/61/31/310956131.db2.gz CYEXTJLWXFOTTN-OAHLLOKOSA-N 1 0 339.439 3.345 20 5 EGBDRO CC[C@@H](NC(=O)N1CC[N@H+](C)[C@H](C(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000487425812 311022980 /nfs/dbraw/zinc/02/29/80/311022980.db2.gz CMVXQQYWRFJKGZ-SJORKVTESA-N 1 0 348.447 3.028 20 5 EGBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(c2c3ccccc3ncc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488715991 311075940 /nfs/dbraw/zinc/07/59/40/311075940.db2.gz QEIXLDLMAJJCRZ-VBQJREDUSA-N 1 0 340.427 3.310 20 5 EGBDRO CCOc1cc(N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000488722047 311076316 /nfs/dbraw/zinc/07/63/16/311076316.db2.gz NFTYUNIQNHPTIL-JKIFEVAISA-N 1 0 333.432 3.160 20 5 EGBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000491944512 311201209 /nfs/dbraw/zinc/20/12/09/311201209.db2.gz CLFJZPAIBGBVCJ-DYLHUKMJSA-N 1 0 349.406 3.080 20 5 EGBDRO CCOC(=O)N1CCC([NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000492306559 311236258 /nfs/dbraw/zinc/23/62/58/311236258.db2.gz HDNDEEBNVBROPW-KAMYIIQDSA-N 1 0 347.415 3.209 20 5 EGBDRO CC(C)([NH2+]Cc1ccc(-n2cncn2)cc1)c1ccccc1[N+](=O)[O-] ZINC000492311873 311236614 /nfs/dbraw/zinc/23/66/14/311236614.db2.gz KDDQELLFOMHMCH-UHFFFAOYSA-N 1 0 337.383 3.200 20 5 EGBDRO CCOc1cc(C[N@H+](C)CCC(=O)OC(C)(C)C)ccc1[N+](=O)[O-] ZINC000492695411 311281208 /nfs/dbraw/zinc/28/12/08/311281208.db2.gz IWSGESWZLGRBBF-UHFFFAOYSA-N 1 0 338.404 3.157 20 5 EGBDRO COC(=O)N1CCC[C@H]([C@@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000495560872 311578567 /nfs/dbraw/zinc/57/85/67/311578567.db2.gz SLAWSOJWMNZAQM-NFAWXSAZSA-N 1 0 335.404 3.112 20 5 EGBDRO COC(=O)N1CCC[C@H]([C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000495559980 311578571 /nfs/dbraw/zinc/57/85/71/311578571.db2.gz PHTXXQSKOQYANS-GUTXKFCHSA-N 1 0 335.404 3.112 20 5 EGBDRO Cc1ccc(C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000498363724 311882432 /nfs/dbraw/zinc/88/24/32/311882432.db2.gz LMZBVLXAPAYMBG-KRWDZBQOSA-N 1 0 333.432 3.144 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000510363857 312139238 /nfs/dbraw/zinc/13/92/38/312139238.db2.gz NHNLWJNAJOHDMX-KCQAQPDRSA-N 1 0 348.447 3.391 20 5 EGBDRO C[C@@H](Nc1ccc(Br)cc1[N+](=O)[O-])C1=CC[N@H+](C)CC1 ZINC000511370655 312158906 /nfs/dbraw/zinc/15/89/06/312158906.db2.gz UVHQFZJYZIJNJA-SNVBAGLBSA-N 1 0 340.221 3.420 20 5 EGBDRO CCC[N@H+](CC)C[C@H](C)Nc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000515261675 312273500 /nfs/dbraw/zinc/27/35/00/312273500.db2.gz HDKQZPYLIBFDQO-ZDUSSCGKSA-N 1 0 348.447 3.019 20 5 EGBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]Cc2noc3ccccc32)n1 ZINC000515498096 312286139 /nfs/dbraw/zinc/28/61/39/312286139.db2.gz DSAYBKKOCRVQON-HIFRSBDPSA-N 1 0 341.371 3.206 20 5 EGBDRO CC(C)(C(=O)NCCC[NH+]1CCCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000523484621 312622980 /nfs/dbraw/zinc/62/29/80/312622980.db2.gz XNWVCMRUMYGKAG-UHFFFAOYSA-N 1 0 347.459 3.255 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCC[C@H](C(=O)N(C)C)C1 ZINC000531967166 313737742 /nfs/dbraw/zinc/73/77/42/313737742.db2.gz CNKBDQDZLRMJCY-KKUMJFAQSA-N 1 0 333.432 3.201 20 5 EGBDRO CC[C@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000536745064 314143220 /nfs/dbraw/zinc/14/32/20/314143220.db2.gz CUTKZKAPXYFLAT-JQWIXIFHSA-N 1 0 325.796 3.450 20 5 EGBDRO CC[C@@H]([NH2+]CCC(=O)Nc1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC000538615216 314258182 /nfs/dbraw/zinc/25/81/82/314258182.db2.gz PYIUHGLEQIHFHE-OAHLLOKOSA-N 1 0 328.372 3.059 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000538761284 314274304 /nfs/dbraw/zinc/27/43/04/314274304.db2.gz VGAZJNQWSURRIT-DOMZBBRYSA-N 1 0 347.459 3.370 20 5 EGBDRO COc1ccc(C2([NH2+]CCOc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000539261113 314304315 /nfs/dbraw/zinc/30/43/15/314304315.db2.gz ZNNYIGZOEWKWEP-UHFFFAOYSA-N 1 0 328.368 3.261 20 5 EGBDRO C[NH+](C)CCc1ccc(Nc2ncnc3cccc([N+](=O)[O-])c32)cc1 ZINC000543434744 314628689 /nfs/dbraw/zinc/62/86/89/314628689.db2.gz JIPISPDUVBBICN-UHFFFAOYSA-N 1 0 337.383 3.386 20 5 EGBDRO CCC[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000548488205 315016110 /nfs/dbraw/zinc/01/61/10/315016110.db2.gz ZPDQASGNNZITDV-ZFWWWQNUSA-N 1 0 349.431 3.490 20 5 EGBDRO CCOC(=O)[C@@H](C)[C@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000549934140 315111629 /nfs/dbraw/zinc/11/16/29/315111629.db2.gz XYOLQQFJRFGUDD-UWVGGRQHSA-N 1 0 348.321 3.291 20 5 EGBDRO CCCC[NH+]1CCC(NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000550932323 315137720 /nfs/dbraw/zinc/13/77/20/315137720.db2.gz HLRPULSHLUSTPR-UHFFFAOYSA-N 1 0 347.459 3.253 20 5 EGBDRO COC(=O)[C@H](Cc1ccccc1)[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000551721006 315165459 /nfs/dbraw/zinc/16/54/59/315165459.db2.gz KRPXZZUGNQNUAX-RDTXWAMCSA-N 1 0 342.395 3.105 20 5 EGBDRO COc1ccc([C@@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)cc1O ZINC000554982775 315360656 /nfs/dbraw/zinc/36/06/56/315360656.db2.gz QUVPSIIVVPIMHC-GFCCVEGCSA-N 1 0 332.356 3.039 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000557274098 315504857 /nfs/dbraw/zinc/50/48/57/315504857.db2.gz SBXVPFRABHRKER-RMRDIRSESA-N 1 0 330.428 3.463 20 5 EGBDRO C[NH+](C)CC(C)(C)CN[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000563264780 315987291 /nfs/dbraw/zinc/98/72/91/315987291.db2.gz SISCBAFEFNAOIY-CYBMUJFWSA-N 1 0 333.354 3.376 20 5 EGBDRO COc1ccc(CC[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])c(OC)c1 ZINC000563416001 316017739 /nfs/dbraw/zinc/01/77/39/316017739.db2.gz FGIKOUCKYRBTGF-KRWDZBQOSA-N 1 0 342.395 3.432 20 5 EGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCCCNc1ccccn1 ZINC000564668839 316185454 /nfs/dbraw/zinc/18/54/54/316185454.db2.gz XFMXTOIFWAYVMN-INIZCTEOSA-N 1 0 326.400 3.459 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C\CN1CC[NH2+]C[C@@H]1c1cccc(F)c1 ZINC000565659254 316353288 /nfs/dbraw/zinc/35/32/88/316353288.db2.gz SNIAQIDWPXCBHD-BQHGXPCASA-N 1 0 341.386 3.394 20 5 EGBDRO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000568766691 316820403 /nfs/dbraw/zinc/82/04/03/316820403.db2.gz FFJKOVWLZGSBLJ-MQVJKMGUSA-N 1 0 343.427 3.007 20 5 EGBDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c(C)c1 ZINC000570010579 316993999 /nfs/dbraw/zinc/99/39/99/316993999.db2.gz SHAQPICIZNTOPC-SJORKVTESA-N 1 0 344.415 3.382 20 5 EGBDRO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C(C)(C)C ZINC000571795554 317249291 /nfs/dbraw/zinc/24/92/91/317249291.db2.gz FCGPJQVZRLZNLR-UHFFFAOYSA-N 1 0 344.209 3.026 20 5 EGBDRO O=C(CC[NH2+]C[C@H]1CCCCC1(F)F)Nc1ccccc1[N+](=O)[O-] ZINC000572632012 317367201 /nfs/dbraw/zinc/36/72/01/317367201.db2.gz PKHMJRJQIIMASZ-GFCCVEGCSA-N 1 0 341.358 3.339 20 5 EGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCc1ccc2c(c1)OCCO2 ZINC000572661864 317371659 /nfs/dbraw/zinc/37/16/59/317371659.db2.gz UUCYJPCTMNSSKF-INIZCTEOSA-N 1 0 340.379 3.186 20 5 EGBDRO Cc1cc(NCC(C)(C)[NH+](C)C)c(Br)cc1[N+](=O)[O-] ZINC000234254178 456148936 /nfs/dbraw/zinc/14/89/36/456148936.db2.gz UPUNNQJOYDYPPF-UHFFFAOYSA-N 1 0 330.226 3.418 20 5 EGBDRO CCc1cccc(NC(=O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000173407320 323295603 /nfs/dbraw/zinc/29/56/03/323295603.db2.gz YIZAFISVSKQBJF-ZDUSSCGKSA-N 1 0 327.384 3.447 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1CCCC[C@H]1C ZINC000192800435 323826679 /nfs/dbraw/zinc/82/66/79/323826679.db2.gz IUXJKZTWNQSTOW-TZMCWYRMSA-N 1 0 335.404 3.100 20 5 EGBDRO CCOc1ccc(NC(=O)C[NH2+][C@H]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000194005440 323847632 /nfs/dbraw/zinc/84/76/32/323847632.db2.gz UMIXXSCWLAELLE-JSGCOSHPSA-N 1 0 335.404 3.100 20 5 EGBDRO Cc1[nH+]cc2n1CC[C@@H](c1nc(-c3ccc([N+](=O)[O-])cc3C)no1)C2 ZINC000579059344 325055148 /nfs/dbraw/zinc/05/51/48/325055148.db2.gz HFRKTMUZLLVYBF-GFCCVEGCSA-N 1 0 339.355 3.188 20 5 EGBDRO COc1ccc(-c2ccc(C[NH2+]C[C@@H](CO)C(C)C)o2)c([N+](=O)[O-])c1 ZINC000579458768 325112708 /nfs/dbraw/zinc/11/27/08/325112708.db2.gz PDBKAOPMUGJZEY-ZDUSSCGKSA-N 1 0 348.399 3.218 20 5 EGBDRO C[NH+](C)C[C@@H](CNc1ccc([N+](=O)[O-])nc1)c1ccc(Cl)cc1 ZINC000579840204 325166038 /nfs/dbraw/zinc/16/60/38/325166038.db2.gz NZEMUUDDQITPCQ-CYBMUJFWSA-N 1 0 334.807 3.401 20 5 EGBDRO CC(C)[N@@H+]1CC[C@H](CNc2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000580047874 325195134 /nfs/dbraw/zinc/19/51/34/325195134.db2.gz POQSXFDMLSDCKR-SNVBAGLBSA-N 1 0 332.326 3.151 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCC[NH+]1CCCCCC1 ZINC000581914093 325398220 /nfs/dbraw/zinc/39/82/20/325398220.db2.gz OKRZQZFUTHZVTM-UHFFFAOYSA-N 1 0 334.420 3.155 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)c1 ZINC000173090750 455231012 /nfs/dbraw/zinc/23/10/12/455231012.db2.gz FHUONOANAMKSNV-KRWDZBQOSA-N 1 0 333.432 3.144 20 5 EGBDRO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)C[C@H]1CCCC[C@@H]1O ZINC000181095167 455286444 /nfs/dbraw/zinc/28/64/44/455286444.db2.gz NULDPAMNDRLAFR-RISCZKNCSA-N 1 0 344.358 3.179 20 5 EGBDRO COC(=O)c1cc(-c2cccc([C@H]3CC[NH2+]C3)c2)cc([N+](=O)[O-])c1 ZINC000600789139 460605829 /nfs/dbraw/zinc/60/58/29/460605829.db2.gz RNJBBAFWPWIQFP-AWEZNQCLSA-N 1 0 326.352 3.125 20 5 EGBDRO CCOc1ccc(NC(=O)C[N@H+]([C@H](C)C2CC2)C2CC2)c([N+](=O)[O-])c1 ZINC000029724961 453831101 /nfs/dbraw/zinc/83/11/01/453831101.db2.gz BGORQDBIBHSDRR-GFCCVEGCSA-N 1 0 347.415 3.195 20 5 EGBDRO CC[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000030144628 453834070 /nfs/dbraw/zinc/83/40/70/453834070.db2.gz UKDZOLLRUVEWRG-CYBMUJFWSA-N 1 0 335.404 3.054 20 5 EGBDRO CCc1ccc(C(=O)N2CCC[N@@H+](C3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000174274332 455375743 /nfs/dbraw/zinc/37/57/43/455375743.db2.gz QHTOFOCSWLSYNX-UHFFFAOYSA-N 1 0 345.443 3.248 20 5 EGBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000081364730 453865703 /nfs/dbraw/zinc/86/57/03/453865703.db2.gz ZWCVXUCDXGCWTJ-GFCCVEGCSA-N 1 0 339.823 3.052 20 5 EGBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCCC[C@@H]1C ZINC000032731893 453886744 /nfs/dbraw/zinc/88/67/44/453886744.db2.gz ZCQVFNAHCCVXAG-RYUDHWBXSA-N 1 0 339.823 3.241 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)Cc1cccs1 ZINC000041887694 453982754 /nfs/dbraw/zinc/98/27/54/453982754.db2.gz MCOOLGVSKUKMST-UHFFFAOYSA-N 1 0 349.412 3.126 20 5 EGBDRO C[C@H](CCc1ccccc1)[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000055902070 454023744 /nfs/dbraw/zinc/02/37/44/454023744.db2.gz BKSHWZGTQPSWOZ-MRXNPFEDSA-N 1 0 340.427 3.133 20 5 EGBDRO CCc1ccc([C@@H](NC[C@@H](C)[NH+](C)C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000612409693 460622878 /nfs/dbraw/zinc/62/28/78/460622878.db2.gz OMTUNUSPJAWPLT-ACJLOTCBSA-N 1 0 331.416 3.379 20 5 EGBDRO CCc1ccc([C@H](NC[C@H](C)[NH+](C)C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000612409695 460623251 /nfs/dbraw/zinc/62/32/51/460623251.db2.gz OMTUNUSPJAWPLT-SCLBCKFNSA-N 1 0 331.416 3.379 20 5 EGBDRO C[C@H](c1ccco1)[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000086235449 454045190 /nfs/dbraw/zinc/04/51/90/454045190.db2.gz NUSCWAQNNXTZRR-CJNGLKHVSA-N 1 0 346.383 3.153 20 5 EGBDRO C[NH+](C)CC(C)(C)CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000044515616 454104535 /nfs/dbraw/zinc/10/45/35/454104535.db2.gz PMFXNJGLWMIDBG-UHFFFAOYSA-N 1 0 335.429 3.127 20 5 EGBDRO C[C@H](O)C[C@H](C)C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000077428749 454105549 /nfs/dbraw/zinc/10/55/49/454105549.db2.gz WIWOHAHQUHFSEU-RYUDHWBXSA-N 1 0 335.429 3.215 20 5 EGBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000044997588 454131808 /nfs/dbraw/zinc/13/18/08/454131808.db2.gz KMNUOEYQAQMJPC-ZDUSSCGKSA-N 1 0 333.413 3.024 20 5 EGBDRO CCC[N@H+](C)C[C@H]1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000119278312 454183461 /nfs/dbraw/zinc/18/34/61/454183461.db2.gz XIYFQDHTHRGJOZ-CYBMUJFWSA-N 1 0 325.840 3.412 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000094169875 454191483 /nfs/dbraw/zinc/19/14/83/454191483.db2.gz SEAJLBCPVREECZ-MRXNPFEDSA-N 1 0 345.443 3.078 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1C ZINC000078270558 454220964 /nfs/dbraw/zinc/22/09/64/454220964.db2.gz WFTMMXSXTRUISO-MBNYWOFBSA-N 1 0 335.404 3.099 20 5 EGBDRO Cc1c(NC(=O)[C@@H](C)[NH2+][C@H]2CC(C)(C)OC2(C)C)cccc1[N+](=O)[O-] ZINC000119814555 454223343 /nfs/dbraw/zinc/22/33/43/454223343.db2.gz GDPHPQYNLWYCPH-DOMZBBRYSA-N 1 0 349.431 3.166 20 5 EGBDRO O=C(c1cccc([N+](=O)[O-])c1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000058879787 454239234 /nfs/dbraw/zinc/23/92/34/454239234.db2.gz SHJUPSHDNJVAAK-UHFFFAOYSA-N 1 0 345.443 3.323 20 5 EGBDRO C[N@H+](CCCOc1ccccc1)CCOc1cccc([N+](=O)[O-])c1 ZINC000058933202 454245771 /nfs/dbraw/zinc/24/57/71/454245771.db2.gz HIQQFLAAVFACCW-UHFFFAOYSA-N 1 0 330.384 3.375 20 5 EGBDRO Cc1nccn1CCCN(C)c1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000120220546 454273520 /nfs/dbraw/zinc/27/35/20/454273520.db2.gz GDPSMYCHROEFEV-UHFFFAOYSA-N 1 0 325.372 3.174 20 5 EGBDRO Cc1ccnc(N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000078689443 454300216 /nfs/dbraw/zinc/30/02/16/454300216.db2.gz WNOSBEDYMSGASU-MRXNPFEDSA-N 1 0 340.427 3.399 20 5 EGBDRO CC[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccccc1OC(F)F ZINC000090537819 454318704 /nfs/dbraw/zinc/31/87/04/454318704.db2.gz JRLZRRLFSXHRRX-CYBMUJFWSA-N 1 0 340.330 3.134 20 5 EGBDRO Cc1ccc(C[NH2+]C[C@H](c2ccco2)N2CCCC2)cc1[N+](=O)[O-] ZINC000061013976 454323499 /nfs/dbraw/zinc/32/34/99/454323499.db2.gz HFWIZUUYSJYTAX-QGZVFWFLSA-N 1 0 329.400 3.423 20 5 EGBDRO Cc1cc(C(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000047216266 454342312 /nfs/dbraw/zinc/34/23/12/454342312.db2.gz FZLRSEMTPOONBB-HUUCEWRRSA-N 1 0 347.459 3.391 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1CCC(C)(C)C[C@H]1C ZINC000120803086 454349455 /nfs/dbraw/zinc/34/94/55/454349455.db2.gz LDWKBQMWFAECSY-TZMCWYRMSA-N 1 0 349.431 3.346 20 5 EGBDRO Cc1ccc(NC(=O)Cc2ccccc2[N+](=O)[O-])c(C[NH+](C)C)c1 ZINC000072840591 454350966 /nfs/dbraw/zinc/35/09/66/454350966.db2.gz QYFMFVLNYOJLEB-UHFFFAOYSA-N 1 0 327.384 3.146 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000120838357 454353564 /nfs/dbraw/zinc/35/35/64/454353564.db2.gz ZNWBUPZSZVICDJ-OAHLLOKOSA-N 1 0 346.431 3.161 20 5 EGBDRO COc1ccc2c(c1)OC[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C2 ZINC000090964636 454355499 /nfs/dbraw/zinc/35/54/99/454355499.db2.gz MULAWTBXKMKADY-WFASDCNBSA-N 1 0 328.368 3.258 20 5 EGBDRO CCC[C@@H]1CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000120995179 454375117 /nfs/dbraw/zinc/37/51/17/454375117.db2.gz IRQJLWLMHDSJNG-CQSZACIVSA-N 1 0 349.431 3.444 20 5 EGBDRO Cc1ccc([C@H](CNC(=O)Nc2cccc([N+](=O)[O-])c2)[NH+](C)C)cc1 ZINC000062428231 454376973 /nfs/dbraw/zinc/37/69/73/454376973.db2.gz AZHZTJZHTLYVDQ-KRWDZBQOSA-N 1 0 342.399 3.328 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C1CC1)C1CCCCC1 ZINC000048008785 454431428 /nfs/dbraw/zinc/43/14/28/454431428.db2.gz DBSHJPOVLNVLAY-UHFFFAOYSA-N 1 0 347.415 3.339 20 5 EGBDRO C[C@H]1CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C[C@@H]1n1ccnc1 ZINC000091959988 454495760 /nfs/dbraw/zinc/49/57/60/454495760.db2.gz QXCFVDDCZXEJEN-HBJANEJGSA-N 1 0 326.400 3.388 20 5 EGBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@@H](Nc3ccccc3)C2)c1 ZINC000102845859 454523596 /nfs/dbraw/zinc/52/35/96/454523596.db2.gz SKFWVRNDMMNZFT-MRXNPFEDSA-N 1 0 327.384 3.160 20 5 EGBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000080164218 454543618 /nfs/dbraw/zinc/54/36/18/454543618.db2.gz AACCXHUFWUGEOG-CQSZACIVSA-N 1 0 334.420 3.099 20 5 EGBDRO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H]2CO)ccc1Oc1ccc(F)cc1 ZINC000092455899 454567668 /nfs/dbraw/zinc/56/76/68/454567668.db2.gz FITSUSCMPCCZAY-HNNXBMFYSA-N 1 0 346.358 3.483 20 5 EGBDRO Cn1cc(C[N@H+](C)CCC(F)(F)F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000092477874 454573322 /nfs/dbraw/zinc/57/33/22/454573322.db2.gz POFGNEZTPMFFMF-UHFFFAOYSA-N 1 0 342.321 3.380 20 5 EGBDRO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000051056899 454607178 /nfs/dbraw/zinc/60/71/78/454607178.db2.gz VGSSTBXDWHXDLF-ZBFHGGJFSA-N 1 0 333.432 3.112 20 5 EGBDRO CCCCNC(=O)[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000051058444 454607209 /nfs/dbraw/zinc/60/72/09/454607209.db2.gz LUQKCRDLORPSEV-MRXNPFEDSA-N 1 0 333.432 3.032 20 5 EGBDRO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000051056896 454607555 /nfs/dbraw/zinc/60/75/55/454607555.db2.gz VGSSTBXDWHXDLF-GDBMZVCRSA-N 1 0 333.432 3.112 20 5 EGBDRO C[N@H+](CCCNC(=O)NCc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000123332849 454626521 /nfs/dbraw/zinc/62/65/21/454626521.db2.gz SUAOJIMMOYEYQL-UHFFFAOYSA-N 1 0 348.447 3.049 20 5 EGBDRO C[C@H]([NH2+]C[C@H]1CCN(CC(F)(F)F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000124312050 454716957 /nfs/dbraw/zinc/71/69/57/454716957.db2.gz WDEVKFZMGFCKBL-NWDGAFQWSA-N 1 0 331.338 3.130 20 5 EGBDRO CSC[C@@H]1CCC[N@@H+]1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000093760646 454733484 /nfs/dbraw/zinc/73/34/84/454733484.db2.gz UDZXXGMXWQBUJF-INIZCTEOSA-N 1 0 346.456 3.323 20 5 EGBDRO CC[C@H]([NH2+]C[C@@H](O)COc1cccc(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000152921791 454741612 /nfs/dbraw/zinc/74/16/12/454741612.db2.gz OEBGUSBLUJVGAL-MJGOQNOKSA-N 1 0 344.411 3.384 20 5 EGBDRO NC(=O)[C@H]1CCCCN1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000162036324 454747363 /nfs/dbraw/zinc/74/73/63/454747363.db2.gz IYEQVTKQNUTOCZ-OAHLLOKOSA-N 1 0 345.424 3.163 20 5 EGBDRO C[C@H](O)[C@H]1CCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000136827965 454757998 /nfs/dbraw/zinc/75/79/98/454757998.db2.gz XIZVRPSGGZYCNS-KBPBESRZSA-N 1 0 330.384 3.448 20 5 EGBDRO COc1ccc(CCC[N@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000136987523 454764256 /nfs/dbraw/zinc/76/42/56/454764256.db2.gz BSZFMBKXNQXPEX-LJQANCHMSA-N 1 0 344.411 3.201 20 5 EGBDRO COCC[N@H+](C)CCCC1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000162531154 454781605 /nfs/dbraw/zinc/78/16/05/454781605.db2.gz ZHYKDMOFAPIEFU-UHFFFAOYSA-N 1 0 335.448 3.170 20 5 EGBDRO C[C@@H](C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)[NH+]1CCCCCC1 ZINC000176886049 454794902 /nfs/dbraw/zinc/79/49/02/454794902.db2.gz PHCNCOIQXBWDCP-AWEZNQCLSA-N 1 0 333.432 3.211 20 5 EGBDRO CC[C@H]([NH2+]Cc1ccccc1OCCO)c1cccc([N+](=O)[O-])c1 ZINC000162935226 454810368 /nfs/dbraw/zinc/81/03/68/454810368.db2.gz GCMPQPJFFMZQEW-KRWDZBQOSA-N 1 0 330.384 3.207 20 5 EGBDRO O=C(NC1CC[NH+](C2CC2)CC1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000139770917 454810543 /nfs/dbraw/zinc/81/05/43/454810543.db2.gz LTXNSZMBIMBQFW-UHFFFAOYSA-N 1 0 345.424 3.166 20 5 EGBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000139950253 454814080 /nfs/dbraw/zinc/81/40/80/454814080.db2.gz CQWMUXSQNFSWTL-JKIFEVAISA-N 1 0 346.431 3.464 20 5 EGBDRO O=[N+]([O-])c1ccc2oc(CN3CC[NH+](C4CCCCC4)CC3)nc2c1 ZINC000162999090 454816265 /nfs/dbraw/zinc/81/62/65/454816265.db2.gz DABIURQZXMKJPB-UHFFFAOYSA-N 1 0 344.415 3.186 20 5 EGBDRO CC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000163165614 454827583 /nfs/dbraw/zinc/82/75/83/454827583.db2.gz HUXZFQPPAZDKRX-CJNGLKHVSA-N 1 0 331.416 3.042 20 5 EGBDRO Cc1c([C@@H](C)[NH2+][C@@H]2CCN(CC(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000125809002 454848852 /nfs/dbraw/zinc/84/88/52/454848852.db2.gz QFCRVSJMOQZVRD-VXGBXAGGSA-N 1 0 331.338 3.190 20 5 EGBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCC[NH+](CC)CC ZINC000154366353 454889409 /nfs/dbraw/zinc/88/94/09/454889409.db2.gz KILNXDKLYUNYBE-UHFFFAOYSA-N 1 0 339.461 3.169 20 5 EGBDRO COc1cc(C[NH2+]CC(C)C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000113311472 454922070 /nfs/dbraw/zinc/92/20/70/454922070.db2.gz WKCOSENYHPUKRC-UHFFFAOYSA-N 1 0 336.310 3.290 20 5 EGBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCN(c3ncccc3F)C2)cccc1[N+](=O)[O-] ZINC000168172783 454925935 /nfs/dbraw/zinc/92/59/35/454925935.db2.gz VBWVCHFAPZPDCA-UONOGXRCSA-N 1 0 344.390 3.367 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CCN(c2ncccc2F)C1 ZINC000168171996 454926170 /nfs/dbraw/zinc/92/61/70/454926170.db2.gz BXWASHHXQGNYAY-KGLIPLIRSA-N 1 0 344.390 3.367 20 5 EGBDRO O=C(C[NH2+][C@H](Cc1ccccc1)C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000178205718 454942426 /nfs/dbraw/zinc/94/24/26/454942426.db2.gz AUGXHKZKLLMWLK-QGZVFWFLSA-N 1 0 339.395 3.144 20 5 EGBDRO Cc1c(C[N@@H+]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000170647417 454948861 /nfs/dbraw/zinc/94/88/61/454948861.db2.gz SAUFASGOPPRQAK-AWEZNQCLSA-N 1 0 349.431 3.250 20 5 EGBDRO C[C@@H]([NH2+]C[C@H](Cc1ccccc1)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000154970762 454949759 /nfs/dbraw/zinc/94/97/59/454949759.db2.gz IYUZAGCLWXHIJI-BEFAXECRSA-N 1 0 327.428 3.418 20 5 EGBDRO C[C@@H]([NH2+]C1CCN(Cc2ccncc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000178647364 454966119 /nfs/dbraw/zinc/96/61/19/454966119.db2.gz QXBXJADPZVYKNC-OAHLLOKOSA-N 1 0 340.427 3.305 20 5 EGBDRO C[C@@H]([NH2+][C@@H](C)C(=O)NCc1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000114748838 454976606 /nfs/dbraw/zinc/97/66/06/454976606.db2.gz OYRKXLPEASIFFQ-OLZOCXBDSA-N 1 0 345.374 3.089 20 5 EGBDRO C[N@@H+]1CCC[C@H](CNC(=O)c2cc3ccccc3c3cccnc23)C1 ZINC000170979942 455009595 /nfs/dbraw/zinc/00/95/95/455009595.db2.gz JUARVSXKFHJRNB-OAHLLOKOSA-N 1 0 333.435 3.460 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCN1CCCCCC1=O ZINC000155516694 455010712 /nfs/dbraw/zinc/01/07/12/455010712.db2.gz ZRIZAQMUYFEKRM-HNNXBMFYSA-N 1 0 333.432 3.347 20 5 EGBDRO [NH3+]C[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)C1CCCCC1 ZINC000179209985 455020313 /nfs/dbraw/zinc/02/03/13/455020313.db2.gz NIYGKCXDPFIXMP-CQSZACIVSA-N 1 0 347.440 3.447 20 5 EGBDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000179215839 455020336 /nfs/dbraw/zinc/02/03/36/455020336.db2.gz CFAWFMMKSSLQRC-WDEREUQCSA-N 1 0 333.413 3.009 20 5 EGBDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000115636351 455023835 /nfs/dbraw/zinc/02/38/35/455023835.db2.gz MBEAKRVFAWILLM-LLVKDONJSA-N 1 0 340.811 3.054 20 5 EGBDRO CC[C@@](C)(CO)[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000152164295 455080658 /nfs/dbraw/zinc/08/06/58/455080658.db2.gz HZCNHMFGUCYXTJ-KRWDZBQOSA-N 1 0 334.372 3.114 20 5 EGBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@@H](c2ccc(F)cc2)C2CCCC2)n1 ZINC000180280587 455154570 /nfs/dbraw/zinc/15/45/70/455154570.db2.gz BZEQDFDFIFETQJ-QGZVFWFLSA-N 1 0 332.379 3.452 20 5 EGBDRO C[C@H]([NH2+]CC(=O)NCc1cccc(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000180403905 455164283 /nfs/dbraw/zinc/16/42/83/455164283.db2.gz ONIIULJTOBORNZ-LBPRGKRZSA-N 1 0 347.802 3.215 20 5 EGBDRO C[NH2+]C[C@@H]1CCCN(C(=O)c2cc3ccccc3c3cccnc23)C1 ZINC000237275292 455166850 /nfs/dbraw/zinc/16/68/50/455166850.db2.gz BAYSNNZOCATHDU-HNNXBMFYSA-N 1 0 333.435 3.460 20 5 EGBDRO Cc1ccc([C@H](C)NC(=O)[C@H](C)[C@@H]([NH3+])c2ccccc2)cc1[N+](=O)[O-] ZINC000237495179 455189000 /nfs/dbraw/zinc/18/90/00/455189000.db2.gz SJYAATJAVTVHBG-QWQRMKEZSA-N 1 0 341.411 3.417 20 5 EGBDRO Cc1nc(N2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)sc1C ZINC000157432732 455194334 /nfs/dbraw/zinc/19/43/34/455194334.db2.gz ICLDIBSCOFMIIM-UHFFFAOYSA-N 1 0 346.456 3.033 20 5 EGBDRO C[C@@H]([NH2+]CC1(N2CCCCC2)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000173407682 455279575 /nfs/dbraw/zinc/27/95/75/455279575.db2.gz XASXTEFEZVBOEM-MRXNPFEDSA-N 1 0 347.459 3.281 20 5 EGBDRO Cc1ccnc(N2CCC[N@H+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000265234047 455303245 /nfs/dbraw/zinc/30/32/45/455303245.db2.gz NMUVHHPNUJFAQK-UHFFFAOYSA-N 1 0 326.400 3.011 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000174189348 455368661 /nfs/dbraw/zinc/36/86/61/455368661.db2.gz LXYOOHUZXFIEQA-CQSZACIVSA-N 1 0 334.420 3.241 20 5 EGBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C1(c2ccccc2)CCC1 ZINC000182046818 455423150 /nfs/dbraw/zinc/42/31/50/455423150.db2.gz QEWBTAJGQDGNPS-INIZCTEOSA-N 1 0 342.395 3.004 20 5 EGBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000184685738 455427765 /nfs/dbraw/zinc/42/77/65/455427765.db2.gz PNTRRAUTJKTRFK-WBVHZDCISA-N 1 0 347.459 3.154 20 5 EGBDRO O=[N+]([O-])c1ccn(CC[NH2+]C2(c3ccc(Cl)c(Cl)c3)CC2)n1 ZINC000267113631 455502557 /nfs/dbraw/zinc/50/25/57/455502557.db2.gz YDSXWSJCWMBOHF-UHFFFAOYSA-N 1 0 341.198 3.377 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(C(=O)N2CCCC2)CC1 ZINC000182588562 455548352 /nfs/dbraw/zinc/54/83/52/455548352.db2.gz NMPPQTIWNOXRGF-HNNXBMFYSA-N 1 0 345.443 3.299 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(C(=O)N2CCCC2)CC1 ZINC000182588547 455548490 /nfs/dbraw/zinc/54/84/90/455548490.db2.gz NMPPQTIWNOXRGF-OAHLLOKOSA-N 1 0 345.443 3.299 20 5 EGBDRO CNC(=O)c1ccc(C[N@H+](C)[C@H](C)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000182620641 455554311 /nfs/dbraw/zinc/55/43/11/455554311.db2.gz LLNXPQYZIDIHEM-CQSZACIVSA-N 1 0 341.411 3.456 20 5 EGBDRO C[C@@H](NCc1c(F)cccc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185738101 455610950 /nfs/dbraw/zinc/61/09/50/455610950.db2.gz BXLABLSQRYHUNK-KGLIPLIRSA-N 1 0 335.423 3.477 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCc2c(cccc2OC)C1 ZINC000192441847 455616701 /nfs/dbraw/zinc/61/67/01/455616701.db2.gz RFVVIBOIFRRWSK-HNNXBMFYSA-N 1 0 342.395 3.259 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000192458704 455622012 /nfs/dbraw/zinc/62/20/12/455622012.db2.gz JJEHQDPTWVPBBF-CABCVRRESA-N 1 0 345.443 3.286 20 5 EGBDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1OC ZINC000284055453 455628864 /nfs/dbraw/zinc/62/88/64/455628864.db2.gz KMZSNAMAAZPAOH-NSHDSACASA-N 1 0 331.372 3.045 20 5 EGBDRO CCC[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccccc1 ZINC000192505784 455633825 /nfs/dbraw/zinc/63/38/25/455633825.db2.gz JRCPAMUVGDGWDY-INIZCTEOSA-N 1 0 327.384 3.325 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000192623180 455655507 /nfs/dbraw/zinc/65/55/07/455655507.db2.gz XWQQPCAXSIMRSF-SWLSCSKDSA-N 1 0 335.404 3.052 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000277816715 455675900 /nfs/dbraw/zinc/67/59/00/455675900.db2.gz HIHJEOALDPVCAF-INIZCTEOSA-N 1 0 333.432 3.144 20 5 EGBDRO CCOc1ccc([C@H](C)[NH2+]CCOc2ncccc2F)cc1[N+](=O)[O-] ZINC000271546439 455679845 /nfs/dbraw/zinc/67/98/45/455679845.db2.gz UHHZLDOUZKOOCS-LBPRGKRZSA-N 1 0 349.362 3.257 20 5 EGBDRO Nc1ccc([N+](=O)[O-])c(NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000192761863 455687506 /nfs/dbraw/zinc/68/75/06/455687506.db2.gz FWNKHLGPSONKLI-UHFFFAOYSA-N 1 0 326.400 3.254 20 5 EGBDRO O=C(C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)Nc1ccc(F)cc1 ZINC000192784772 455692515 /nfs/dbraw/zinc/69/25/15/455692515.db2.gz OLYOUPFAWVWJKA-KRWDZBQOSA-N 1 0 343.358 3.340 20 5 EGBDRO O=C(c1cc2ccccc2c2cccnc12)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000292637427 455717863 /nfs/dbraw/zinc/71/78/63/455717863.db2.gz ZJFUIUCOMSQOQV-KXBFYZLASA-N 1 0 331.419 3.212 20 5 EGBDRO CC[C@H]([NH2+][C@H]1CCC[C@@H](C(=O)N(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000268949381 455740362 /nfs/dbraw/zinc/74/03/62/455740362.db2.gz VCIJTOWUUZZYHN-VYDXJSESSA-N 1 0 333.432 3.283 20 5 EGBDRO CCN(CCC[NH+](C)C)C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000292732432 455741983 /nfs/dbraw/zinc/74/19/83/455741983.db2.gz DPHVVKQGCBNCII-UHFFFAOYSA-N 1 0 348.230 3.315 20 5 EGBDRO Cc1ccc([C@@H](O)C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)o1 ZINC000268973565 455750014 /nfs/dbraw/zinc/75/00/14/455750014.db2.gz IPBZVFJHMLZZTF-RDJZCZTQSA-N 1 0 330.384 3.141 20 5 EGBDRO COC(=O)N1CCC([C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000186385195 455757781 /nfs/dbraw/zinc/75/77/81/455757781.db2.gz FWLUJUWFIPFTMJ-CHWSQXEVSA-N 1 0 335.404 3.112 20 5 EGBDRO Cn1ncc2c1CCC[C@@H]2[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278287442 455807153 /nfs/dbraw/zinc/80/71/53/455807153.db2.gz QSPLSXODUNSVHM-IRXDYDNUSA-N 1 0 326.400 3.373 20 5 EGBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)[C@@H](O)c1cccc(F)c1 ZINC000285264046 455815135 /nfs/dbraw/zinc/81/51/35/455815135.db2.gz QNINJKNTVDAPMJ-WVQJBOLRSA-N 1 0 333.363 3.089 20 5 EGBDRO C[C@H](NC(=O)NCCC[NH+]1CCC(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000194356741 455831143 /nfs/dbraw/zinc/83/11/43/455831143.db2.gz ZBLZWTHFZWZAPY-HNNXBMFYSA-N 1 0 348.447 3.077 20 5 EGBDRO Cc1cc2ncc([C@@H](C)[NH2+]CCc3ccc([N+](=O)[O-])cc3)c(C)n2n1 ZINC000194415231 455839337 /nfs/dbraw/zinc/83/93/37/455839337.db2.gz UPIDJEDCRAOVBH-CYBMUJFWSA-N 1 0 339.399 3.148 20 5 EGBDRO CCO[C@@H](C[NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-])c1ccccc1 ZINC000194460393 455845001 /nfs/dbraw/zinc/84/50/01/455845001.db2.gz PIGNJVJIAUVUBW-SFHVURJKSA-N 1 0 346.383 3.176 20 5 EGBDRO Cc1noc([C@H]2CCC[N@H+](C/C=C\c3ccccc3[N+](=O)[O-])C2)n1 ZINC000255378438 455866075 /nfs/dbraw/zinc/86/60/75/455866075.db2.gz FCNOMNCONLJIFK-QZDDGCDVSA-N 1 0 328.372 3.179 20 5 EGBDRO COc1cc2c(cc1OC)[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])CC2 ZINC000279928193 455878322 /nfs/dbraw/zinc/87/83/22/455878322.db2.gz AMXNJCURKMXBDK-OAHLLOKOSA-N 1 0 328.368 3.389 20 5 EGBDRO COc1ccc(OC)c([C@@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000195195529 455930800 /nfs/dbraw/zinc/93/08/00/455930800.db2.gz HNLQRIRDILLVGC-CYBMUJFWSA-N 1 0 346.383 3.342 20 5 EGBDRO COc1cc(C[NH2+]C2CCCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272437152 455950791 /nfs/dbraw/zinc/95/07/91/455950791.db2.gz OCFGLBAEMBJLBK-UHFFFAOYSA-N 1 0 330.331 3.280 20 5 EGBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000286043216 455966467 /nfs/dbraw/zinc/96/64/67/455966467.db2.gz AHCCCBBGOBSANQ-KBXCAEBGSA-N 1 0 343.427 3.251 20 5 EGBDRO COC[C@@]1(C)CC[N@@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000296577739 455978809 /nfs/dbraw/zinc/97/88/09/455978809.db2.gz DPPQRVGOVMOEOR-SJCJKPOMSA-N 1 0 346.387 3.064 20 5 EGBDRO COC[C@@]1(C)CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000296586378 455981206 /nfs/dbraw/zinc/98/12/06/455981206.db2.gz FCYBBSYSCRXQMR-SFHVURJKSA-N 1 0 345.399 3.151 20 5 EGBDRO CO[C@]1(C)CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000280557954 455999591 /nfs/dbraw/zinc/99/95/91/455999591.db2.gz QZZVGRSIFDFCQL-KBXCAEBGSA-N 1 0 349.431 3.121 20 5 EGBDRO Cc1cc(F)c(NC(=O)N2CCC([NH2+]C(C)C)CC2)cc1[N+](=O)[O-] ZINC000296660748 456003863 /nfs/dbraw/zinc/00/38/63/456003863.db2.gz GKAKTVQEOXHCGO-UHFFFAOYSA-N 1 0 338.383 3.037 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@@H](COc3ccccc3)C2)c1 ZINC000272608448 456012645 /nfs/dbraw/zinc/01/26/45/456012645.db2.gz RZCGITCEJUEEQP-DNVCBOLYSA-N 1 0 342.395 3.029 20 5 EGBDRO C[C@H](c1ccc(F)cc1)[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000198864803 456013934 /nfs/dbraw/zinc/01/39/34/456013934.db2.gz SXUDHFAHHJYHFP-DYVFJYSZSA-N 1 0 348.374 3.167 20 5 EGBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000222033748 456044418 /nfs/dbraw/zinc/04/44/18/456044418.db2.gz UNTSCMIUHQHUDN-CABCVRRESA-N 1 0 349.456 3.063 20 5 EGBDRO O=[N+]([O-])c1ccc2nccc(N3CCC[C@H]([NH+]4CCCC4)C3)c2c1 ZINC000601104618 460712335 /nfs/dbraw/zinc/71/23/35/460712335.db2.gz BIQBJFPBEVQIED-HNNXBMFYSA-N 1 0 326.400 3.208 20 5 EGBDRO Cc1cnc(N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000301455705 456120456 /nfs/dbraw/zinc/12/04/56/456120456.db2.gz WFTNKXXWZLDKPD-QGZVFWFLSA-N 1 0 340.427 3.399 20 5 EGBDRO Cc1cnc(N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000301455704 456120597 /nfs/dbraw/zinc/12/05/97/456120597.db2.gz WFTNKXXWZLDKPD-KRWDZBQOSA-N 1 0 340.427 3.399 20 5 EGBDRO C[C@H]1C[NH+](CCCCNc2ccc([N+](=O)[O-])cc2F)C[C@H](C)O1 ZINC000301543646 456141787 /nfs/dbraw/zinc/14/17/87/456141787.db2.gz DESXHXNAMREPKY-STQMWFEESA-N 1 0 325.384 3.035 20 5 EGBDRO CC(C)(NC(=O)C[C@H]([NH3+])c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000236663407 456166157 /nfs/dbraw/zinc/16/61/57/456166157.db2.gz CIXMFYNTPKYSGF-INIZCTEOSA-N 1 0 327.384 3.036 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@@]1(CO)C[C@H]1c1ccccc1 ZINC000289898701 456173310 /nfs/dbraw/zinc/17/33/10/456173310.db2.gz QWTSBCPSQRNFSV-MQLVUKKUSA-N 1 0 338.407 3.364 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000236731196 456176618 /nfs/dbraw/zinc/17/66/18/456176618.db2.gz PQFITCMASQWHFZ-SFHVURJKSA-N 1 0 341.411 3.456 20 5 EGBDRO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000281317956 456201343 /nfs/dbraw/zinc/20/13/43/456201343.db2.gz RATNBJKPZFJSRH-XGWTYTTDSA-N 1 0 336.407 3.495 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000237221265 456248123 /nfs/dbraw/zinc/24/81/23/456248123.db2.gz OAGQPBPKERNOTQ-CQSZACIVSA-N 1 0 344.411 3.375 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+][C@H]2COc3ccccc3[C@@H]2O)cc1[N+](=O)[O-] ZINC000290211331 456267981 /nfs/dbraw/zinc/26/79/81/456267981.db2.gz HHEGBGGCVXQLEG-QITLCBANSA-N 1 0 328.368 3.048 20 5 EGBDRO Cc1cc(N(C)CC2CC[NH+](C)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000302016848 456269190 /nfs/dbraw/zinc/26/91/90/456269190.db2.gz LZNRGZGCBDOOJX-UHFFFAOYSA-N 1 0 328.416 3.229 20 5 EGBDRO C[NH+](C)C[C@H]1CCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC000275675146 456282788 /nfs/dbraw/zinc/28/27/88/456282788.db2.gz ZULKMDXLFWTZTM-CQSZACIVSA-N 1 0 349.434 3.117 20 5 EGBDRO CC1(C)C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC[C@@H]1O ZINC000275697876 456290238 /nfs/dbraw/zinc/29/02/38/456290238.db2.gz BIFALQIEDAYCMZ-KRWDZBQOSA-N 1 0 330.384 3.448 20 5 EGBDRO Cc1nc(N[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000302188781 456310777 /nfs/dbraw/zinc/31/07/77/456310777.db2.gz XLLGSAQPXBZJTI-BBRMVZONSA-N 1 0 326.400 3.231 20 5 EGBDRO C[N@@H+]1CCC[C@@H]2CN(c3ccc([N+](=O)[O-])cc3OC(F)F)CC[C@H]21 ZINC000302226797 456322822 /nfs/dbraw/zinc/32/28/22/456322822.db2.gz PUPPGUDQWDYUPP-DGCLKSJQSA-N 1 0 341.358 3.117 20 5 EGBDRO O=[N+]([O-])c1ccc(OCCC[NH2+][C@@H]2CCCC23CCOCC3)cc1 ZINC000281952803 456372269 /nfs/dbraw/zinc/37/22/69/456372269.db2.gz FSBLUKIZLDJQNY-QGZVFWFLSA-N 1 0 334.416 3.303 20 5 EGBDRO C[C@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1C ZINC000343073745 456387769 /nfs/dbraw/zinc/38/77/69/456387769.db2.gz COIUYMZYKBZORH-NWDGAFQWSA-N 1 0 339.823 3.241 20 5 EGBDRO CCC(CC)C[N@H+](CC)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000303641097 456473633 /nfs/dbraw/zinc/47/36/33/456473633.db2.gz RAFCVFIDFBAVSR-UHFFFAOYSA-N 1 0 333.432 3.242 20 5 EGBDRO CCOC1(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCCC1 ZINC000340466198 456475973 /nfs/dbraw/zinc/47/59/73/456475973.db2.gz PZVQHOPIONVZKS-HUUCEWRRSA-N 1 0 336.436 3.214 20 5 EGBDRO CCC(CC)[C@H](CNC(=O)Nc1ccc(C)c([N+](=O)[O-])c1)[NH+](C)C ZINC000303870866 456492446 /nfs/dbraw/zinc/49/24/46/456492446.db2.gz UXXMFDWCFYQNLW-INIZCTEOSA-N 1 0 336.436 3.391 20 5 EGBDRO C[C@@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H]1CCCOC1 ZINC000348135585 456507156 /nfs/dbraw/zinc/50/71/56/456507156.db2.gz JPHCLNOSPVDCJG-UKRRQHHQSA-N 1 0 345.399 3.197 20 5 EGBDRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000298951018 456575621 /nfs/dbraw/zinc/57/56/21/456575621.db2.gz ADEHVLHOOOJTMU-ZDUSSCGKSA-N 1 0 346.431 3.316 20 5 EGBDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1csc([N+](=O)[O-])c1 ZINC000299087860 456602808 /nfs/dbraw/zinc/60/28/08/456602808.db2.gz ZBQHJWKSBSPBCF-GFCCVEGCSA-N 1 0 325.434 3.041 20 5 EGBDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000299098058 456605705 /nfs/dbraw/zinc/60/57/05/456605705.db2.gz UYFYRJDIJOXEKB-KGLIPLIRSA-N 1 0 345.424 3.166 20 5 EGBDRO C[C@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1ccccc1 ZINC000348426258 456682914 /nfs/dbraw/zinc/68/29/14/456682914.db2.gz IHRQNAPYXGFBCG-CQSZACIVSA-N 1 0 342.399 3.237 20 5 EGBDRO CC[N@H+](CCc1cccs1)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000299421814 456688334 /nfs/dbraw/zinc/68/83/34/456688334.db2.gz RQDFVTDKAVIHLM-UHFFFAOYSA-N 1 0 333.413 3.159 20 5 EGBDRO CC(C)Cc1ccc([C@@H](CNc2c([N+](=O)[O-])ncn2C)[NH+](C)C)cc1 ZINC000340903148 456751651 /nfs/dbraw/zinc/75/16/51/456751651.db2.gz RSVLFRUBUPAZMN-MRXNPFEDSA-N 1 0 345.447 3.242 20 5 EGBDRO Cn1cccc1[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283290581 456753575 /nfs/dbraw/zinc/75/35/75/456753575.db2.gz MPQOBOXLUWJLSL-KRWDZBQOSA-N 1 0 342.399 3.099 20 5 EGBDRO CN(c1ccccc1[N+](=O)[O-])C1CC[NH+](CCc2ccccn2)CC1 ZINC000299700966 456769895 /nfs/dbraw/zinc/76/98/95/456769895.db2.gz QNEIXQUUBKBSED-UHFFFAOYSA-N 1 0 340.427 3.133 20 5 EGBDRO C[C@@H](c1ccccn1)[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000299714848 456772417 /nfs/dbraw/zinc/77/24/17/456772417.db2.gz REVXWEFCYBCEMF-ZDUSSCGKSA-N 1 0 328.372 3.011 20 5 EGBDRO C[C@@H]1CC[C@H](C[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000353591204 456788176 /nfs/dbraw/zinc/78/81/76/456788176.db2.gz WWKDWGFBSLYNGA-JKIFEVAISA-N 1 0 328.416 3.444 20 5 EGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCO[C@H]1c1cccnc1 ZINC000344253885 456811928 /nfs/dbraw/zinc/81/19/28/456811928.db2.gz HCDAYGFAFZURTL-BJZITVGISA-N 1 0 341.411 3.431 20 5 EGBDRO CCc1oc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])cc1C(=O)OC ZINC000348679031 456813467 /nfs/dbraw/zinc/81/34/67/456813467.db2.gz YSQDAIGPQYDIRX-UHFFFAOYSA-N 1 0 346.383 3.211 20 5 EGBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000301195569 456819301 /nfs/dbraw/zinc/81/93/01/456819301.db2.gz NVSOFJSBIZTGKR-CQSZACIVSA-N 1 0 326.400 3.157 20 5 EGBDRO CC(C)([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1[N+](=O)[O-] ZINC000292114877 456858909 /nfs/dbraw/zinc/85/89/09/456858909.db2.gz JNAMCYAPHNAQDI-INIZCTEOSA-N 1 0 345.355 3.061 20 5 EGBDRO CN(CC[NH+](C)C)Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000348908304 456887268 /nfs/dbraw/zinc/88/72/68/456887268.db2.gz ZBDJIAYFNOFZGO-UHFFFAOYSA-N 1 0 342.443 3.356 20 5 EGBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[NH2+]C(C)(C)C ZINC000356598963 457075373 /nfs/dbraw/zinc/07/53/73/457075373.db2.gz QLEIIYHTNVNRFR-UHFFFAOYSA-N 1 0 339.461 3.215 20 5 EGBDRO CC[N@@H+]1CC[C@H](N(C)Cc2cc(OC)c(F)cc2[N+](=O)[O-])C[C@@H]1C ZINC000330926562 457105682 /nfs/dbraw/zinc/10/56/82/457105682.db2.gz IWBFBKFXQFNPID-JSGCOSHPSA-N 1 0 339.411 3.047 20 5 EGBDRO CC[NH+]1CCC(N(C)C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000331257384 457155470 /nfs/dbraw/zinc/15/54/70/457155470.db2.gz CUSMNUOWVZSIQA-UHFFFAOYSA-N 1 0 333.432 3.275 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000331520175 457200209 /nfs/dbraw/zinc/20/02/09/457200209.db2.gz JMDCZISBZHZGAE-ZIAGYGMSSA-N 1 0 341.415 3.046 20 5 EGBDRO Cc1ccc(C(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000342286381 457213430 /nfs/dbraw/zinc/21/34/30/457213430.db2.gz WBSWFGUGYBXLJV-SCLBCKFNSA-N 1 0 333.432 3.144 20 5 EGBDRO COc1ccc(-c2ccc(C[NH2+]CC3=CCCOC3)o2)c([N+](=O)[O-])c1 ZINC000342288058 457214203 /nfs/dbraw/zinc/21/42/03/457214203.db2.gz LBUXCEGRDJDOOW-UHFFFAOYSA-N 1 0 344.367 3.300 20 5 EGBDRO O=C(CC[N@@H+]1CCS[C@H]2CCCC[C@@H]21)Nc1ccc([N+](=O)[O-])cc1 ZINC000331625699 457220463 /nfs/dbraw/zinc/22/04/63/457220463.db2.gz GHALWJJTAJBYAP-HOTGVXAUSA-N 1 0 349.456 3.283 20 5 EGBDRO C[C@@H]1CC[C@H]([NH2+]CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)[C@@H](C)C1 ZINC000331697549 457233574 /nfs/dbraw/zinc/23/35/74/457233574.db2.gz DENGOKHZHAIWLH-IPYPFGDCSA-N 1 0 347.415 3.307 20 5 EGBDRO Cc1cnc(N(CC[NH+](C)C)Cc2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000347107506 457233747 /nfs/dbraw/zinc/23/37/47/457233747.db2.gz QNAAEEXXKWALCM-UHFFFAOYSA-N 1 0 332.379 3.006 20 5 EGBDRO CC(C)C[C@@H](C)C[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000339739386 457242403 /nfs/dbraw/zinc/24/24/03/457242403.db2.gz GGWATRINNJFBMZ-OAHLLOKOSA-N 1 0 333.432 3.035 20 5 EGBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](C)C2(CCC2)C1 ZINC000357011447 457274836 /nfs/dbraw/zinc/27/48/36/457274836.db2.gz ODNASKYQOKUOAI-ZIAGYGMSSA-N 1 0 331.416 3.434 20 5 EGBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@H](c2cccs2)C2CC2)c1 ZINC000342486468 457330707 /nfs/dbraw/zinc/33/07/07/457330707.db2.gz ZCWQNSIYYYGEPS-YOEHRIQHSA-N 1 0 348.424 3.137 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000332354655 457354150 /nfs/dbraw/zinc/35/41/50/457354150.db2.gz ZHEXGVFSRLGMBO-HNNXBMFYSA-N 1 0 346.431 3.065 20 5 EGBDRO CCn1c(C)nc([N+](=O)[O-])c1NCc1ccccc1C[NH+]1CCCC1 ZINC000360881371 457403372 /nfs/dbraw/zinc/40/33/72/457403372.db2.gz RCZQQSQYOGUSHS-UHFFFAOYSA-N 1 0 343.431 3.328 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000408441229 457569628 /nfs/dbraw/zinc/56/96/28/457569628.db2.gz DESUGTPBKULLAG-XHSDSOJGSA-N 1 0 345.443 3.381 20 5 EGBDRO CCOc1ccc(NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2CC)c([N+](=O)[O-])c1 ZINC000357526894 457579760 /nfs/dbraw/zinc/57/97/60/457579760.db2.gz GXUSVQGMTXNTCZ-OLZOCXBDSA-N 1 0 335.404 3.195 20 5 EGBDRO CCC[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCc2ccccc2C1 ZINC000357637441 457635564 /nfs/dbraw/zinc/63/55/64/457635564.db2.gz IVKJXSRQMVLVII-QGZVFWFLSA-N 1 0 328.416 3.061 20 5 EGBDRO Cn1cnc([N+](=O)[O-])c1C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000374567553 457662394 /nfs/dbraw/zinc/66/23/94/457662394.db2.gz YNBUONLKQFUNTP-MUJYYYPQSA-N 1 0 326.400 3.239 20 5 EGBDRO Cc1noc(C2(C)CC[NH+]([C@@H](C)c3ccccc3[N+](=O)[O-])CC2)n1 ZINC000357805759 457696584 /nfs/dbraw/zinc/69/65/84/457696584.db2.gz NCAMTZLWHPXULG-LBPRGKRZSA-N 1 0 330.388 3.401 20 5 EGBDRO C[C@@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)C[NH+]1CCCCC1 ZINC000357869960 457718813 /nfs/dbraw/zinc/71/88/13/457718813.db2.gz VYYYCJFGVJUWOI-ZDUSSCGKSA-N 1 0 345.399 3.193 20 5 EGBDRO CC1(C)C[C@@H]([NH2+]CCN2CCOC(C)(C)C2)c2cc([N+](=O)[O-])ccc21 ZINC000433113990 457759750 /nfs/dbraw/zinc/75/97/50/457759750.db2.gz DWAOVQFVNIDGEK-QGZVFWFLSA-N 1 0 347.459 3.018 20 5 EGBDRO O=[N+]([O-])c1cccc(C[NH2+]CC2(CO)CC(c3ccccc3)C2)c1 ZINC000433203903 457778188 /nfs/dbraw/zinc/77/81/88/457778188.db2.gz DHKGXYZZJOIZQE-UHFFFAOYSA-N 1 0 326.396 3.241 20 5 EGBDRO CCC[N@H+](CC(C)C)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000411202402 457828480 /nfs/dbraw/zinc/82/84/80/457828480.db2.gz ODGFYUWZHVBTJG-CYBMUJFWSA-N 1 0 337.420 3.298 20 5 EGBDRO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H]2C(C)(C)C)c([N+](=O)[O-])c1 ZINC000411234098 457838372 /nfs/dbraw/zinc/83/83/72/457838372.db2.gz DPRISHFRIXNFML-MRXNPFEDSA-N 1 0 349.431 3.443 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@@H](C)C1(C)CC1 ZINC000411340639 457860908 /nfs/dbraw/zinc/86/09/08/457860908.db2.gz XXOVOSUQBCVSOB-LBPRGKRZSA-N 1 0 335.404 3.052 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000366647563 457874735 /nfs/dbraw/zinc/87/47/35/457874735.db2.gz SUYCBGMYWKZZKA-HOCLYGCPSA-N 1 0 346.383 3.285 20 5 EGBDRO COc1ccc(NC(=O)CC[N@H+](C)[C@@H](C)C2CCC2)c([N+](=O)[O-])c1 ZINC000411434120 457886491 /nfs/dbraw/zinc/88/64/91/457886491.db2.gz VMVKFMROSMECNO-LBPRGKRZSA-N 1 0 335.404 3.052 20 5 EGBDRO CC[C@H]1CCCC[C@H]1[NH2+]CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000411546053 457916621 /nfs/dbraw/zinc/91/66/21/457916621.db2.gz ACGAWQZMDFRQPR-DZGCQCFKSA-N 1 0 349.431 3.490 20 5 EGBDRO CC[C@@H]1CCCC[C@H]1[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000444673562 457934343 /nfs/dbraw/zinc/93/43/43/457934343.db2.gz JAPNFWXWKQPNNB-UWWQBHOKSA-N 1 0 336.432 3.235 20 5 EGBDRO CCC1(CC)[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H](C)[C@H]1OC ZINC000444695203 457943051 /nfs/dbraw/zinc/94/30/51/457943051.db2.gz DUYYCZIBTIZXOT-YMRXKLBXSA-N 1 0 346.431 3.400 20 5 EGBDRO COCC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1CCC[C@H]1C ZINC000444696188 457944589 /nfs/dbraw/zinc/94/45/89/457944589.db2.gz VDOCKFBYLIFLPW-MLGOLLRUSA-N 1 0 332.404 3.108 20 5 EGBDRO CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444697460 457946051 /nfs/dbraw/zinc/94/60/51/457946051.db2.gz KJXJYIMHVAGFRP-LSDHHAIUSA-N 1 0 332.404 3.154 20 5 EGBDRO Cc1cnc(CC[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])nc1 ZINC000358381063 457965432 /nfs/dbraw/zinc/96/54/32/457965432.db2.gz YVCQHTSCAFPZRT-DOTOQJQBSA-N 1 0 340.427 3.237 20 5 EGBDRO CC[N@H+](CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])CC(C)(C)C ZINC000411744398 457969831 /nfs/dbraw/zinc/96/98/31/457969831.db2.gz MCIUXQMZTKSDSJ-UHFFFAOYSA-N 1 0 337.420 3.300 20 5 EGBDRO CN(c1ccccc1)c1ccc(CN2CC[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000435377773 458126906 /nfs/dbraw/zinc/12/69/06/458126906.db2.gz ATNGUDUHGCRMJU-INIZCTEOSA-N 1 0 340.427 3.143 20 5 EGBDRO CC[C@@]1(C)CCC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000362391567 458147764 /nfs/dbraw/zinc/14/77/64/458147764.db2.gz QFRMYAUQGAMEDA-WMZOPIPTSA-N 1 0 331.416 3.212 20 5 EGBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@@H]1C ZINC000446493062 458193286 /nfs/dbraw/zinc/19/32/86/458193286.db2.gz DMDIFNYZRKLSNM-KBPBESRZSA-N 1 0 334.420 3.240 20 5 EGBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3ccc4ncccc4c3)nc2c1 ZINC000446838950 458236139 /nfs/dbraw/zinc/23/61/39/458236139.db2.gz NPKPODHUTALDKK-UHFFFAOYSA-N 1 0 333.351 3.309 20 5 EGBDRO COCC[C@@]1([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCOC1 ZINC000447083603 458263777 /nfs/dbraw/zinc/26/37/77/458263777.db2.gz BVSALOUZFLCYAS-GOSISDBHSA-N 1 0 346.383 3.140 20 5 EGBDRO COc1ccccc1CC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447509986 458301845 /nfs/dbraw/zinc/30/18/45/458301845.db2.gz OCPGHKLUVLKXGV-JKSUJKDBSA-N 1 0 344.415 3.116 20 5 EGBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]Cc2ccc(F)c(F)c2)n1 ZINC000447544492 458308769 /nfs/dbraw/zinc/30/87/69/458308769.db2.gz VSFJODHRVGIBOG-CABCVRRESA-N 1 0 336.342 3.343 20 5 EGBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@](C)(CCc2ccccc2)C1 ZINC000372681960 458317098 /nfs/dbraw/zinc/31/70/98/458317098.db2.gz PQGYBNTWBXORAY-SFHVURJKSA-N 1 0 328.416 3.173 20 5 EGBDRO C[C@H]1C[C@@H](c2cccnc2)[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000376555098 458336508 /nfs/dbraw/zinc/33/65/08/458336508.db2.gz UGUKKCLFZJYFLQ-KSSFIOAISA-N 1 0 327.384 3.452 20 5 EGBDRO C[C@H]1C[C@H](c2cccnc2)[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000376555096 458336823 /nfs/dbraw/zinc/33/68/23/458336823.db2.gz UGUKKCLFZJYFLQ-KBXCAEBGSA-N 1 0 327.384 3.452 20 5 EGBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000447808647 458345213 /nfs/dbraw/zinc/34/52/13/458345213.db2.gz XVSKBTNKCPEMND-INIZCTEOSA-N 1 0 346.431 3.012 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CC3CCC(F)(F)CC3)C2)nc1 ZINC000459370675 458347167 /nfs/dbraw/zinc/34/71/67/458347167.db2.gz GFJMDQTUXOWFIF-CYBMUJFWSA-N 1 0 340.374 3.302 20 5 EGBDRO C[C@@H]1CC[C@@H]([N@H+](C)CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000429585302 458349719 /nfs/dbraw/zinc/34/97/19/458349719.db2.gz JAHAMYFNVBTGHA-CHWSQXEVSA-N 1 0 333.388 3.013 20 5 EGBDRO C[C@H]1CC[C@H]([N@H+](C)CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000429585305 458350961 /nfs/dbraw/zinc/35/09/61/458350961.db2.gz JAHAMYFNVBTGHA-STQMWFEESA-N 1 0 333.388 3.013 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000448083207 458387911 /nfs/dbraw/zinc/38/79/11/458387911.db2.gz YSBPYKKTMPDLFE-MRXNPFEDSA-N 1 0 348.447 3.454 20 5 EGBDRO CC(C)(C)OC(=O)[C@@]1(C)CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000459571980 458415240 /nfs/dbraw/zinc/41/52/40/458415240.db2.gz DMPQCBLDHDWDQT-SFHVURJKSA-N 1 0 334.416 3.191 20 5 EGBDRO CCOC[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000459713118 458454793 /nfs/dbraw/zinc/45/47/93/458454793.db2.gz NNRGELAXNZHZEF-INIZCTEOSA-N 1 0 349.431 3.123 20 5 EGBDRO C[C@@H](NCc1cc([N+](=O)[O-])ccc1C(F)(F)F)c1ccn(C)n1 ZINC000459797427 458481021 /nfs/dbraw/zinc/48/10/21/458481021.db2.gz SCVBVPXFYRJJJK-SECBINFHSA-N 1 0 328.294 3.198 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCC(=O)N1CCCCCC1 ZINC000468653346 458529875 /nfs/dbraw/zinc/52/98/75/458529875.db2.gz VWMNHLOVZWYZOP-DTQAZKPQSA-N 1 0 345.443 3.380 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000424036398 458540881 /nfs/dbraw/zinc/54/08/81/458540881.db2.gz DXHQGJNBUABUSA-QGZVFWFLSA-N 1 0 345.443 3.062 20 5 EGBDRO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)[C@@H]1C ZINC000470139388 458615958 /nfs/dbraw/zinc/61/59/58/458615958.db2.gz BQCFMHWQLAVIDY-TZMCWYRMSA-N 1 0 344.367 3.238 20 5 EGBDRO CCC[N@H+](C)C[C@H]1CCN(c2ccnc3c2cccc3[N+](=O)[O-])C1 ZINC000432315432 458713122 /nfs/dbraw/zinc/71/31/22/458713122.db2.gz UUOCHQBGSLPMTG-CQSZACIVSA-N 1 0 328.416 3.311 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000530394747 458759828 /nfs/dbraw/zinc/75/98/28/458759828.db2.gz VCBHECMTPNTYNP-CQSZACIVSA-N 1 0 334.420 3.063 20 5 EGBDRO CCOc1ccc(NC(=O)C[N@@H+]2C[C@H](C)CC2(C)C)c([N+](=O)[O-])c1 ZINC000472285843 458781255 /nfs/dbraw/zinc/78/12/55/458781255.db2.gz KWCMPQCKHBLIHP-GFCCVEGCSA-N 1 0 335.404 3.052 20 5 EGBDRO CC(C)C[C@H]1CCCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000466375949 458895523 /nfs/dbraw/zinc/89/55/23/458895523.db2.gz AZAYDXRFHQQJMG-WBVHZDCISA-N 1 0 336.432 3.235 20 5 EGBDRO CCCN(CCC)C(=O)CN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000441244225 458905820 /nfs/dbraw/zinc/90/58/20/458905820.db2.gz YUKRTBLOKFNTDF-UHFFFAOYSA-N 1 0 333.432 3.208 20 5 EGBDRO COc1ccc(NC(=O)C[N@@H+]2CCCC[C@@H]2CC(C)C)c([N+](=O)[O-])c1 ZINC000466692773 458912519 /nfs/dbraw/zinc/91/25/19/458912519.db2.gz TVAOBFRCRWFOMW-CQSZACIVSA-N 1 0 349.431 3.443 20 5 EGBDRO CC[C@@H]1CCCCN1CC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000556064323 458924809 /nfs/dbraw/zinc/92/48/09/458924809.db2.gz YKBRRDUQAGBPTK-ZACQAIPSSA-N 1 0 349.479 3.129 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]CCN1CC=CCC1 ZINC000475503331 458947606 /nfs/dbraw/zinc/94/76/06/458947606.db2.gz OYGZWNFFXQAGAR-SJLPKXTDSA-N 1 0 329.444 3.158 20 5 EGBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@H](CC(C)C)C2)c([N+](=O)[O-])c1 ZINC000467161070 458956300 /nfs/dbraw/zinc/95/63/00/458956300.db2.gz VIWWTDZKLMJFBY-CQSZACIVSA-N 1 0 349.431 3.300 20 5 EGBDRO CC[C@H]([NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC000531724376 458967731 /nfs/dbraw/zinc/96/77/31/458967731.db2.gz KIGXCPMEKZUCAJ-GUYCJALGSA-N 1 0 349.431 3.107 20 5 EGBDRO C[C@H](C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)N1CCCC[C@H]1C ZINC000520499958 459065160 /nfs/dbraw/zinc/06/51/60/459065160.db2.gz UAUICFHBATYIID-WCXIOVBPSA-N 1 0 349.479 3.128 20 5 EGBDRO CO[C@@H](C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])Cc1ccccc1 ZINC000594506236 459066333 /nfs/dbraw/zinc/06/63/33/459066333.db2.gz NPRZQJACRCBFQG-CRAIPNDOSA-N 1 0 326.396 3.429 20 5 EGBDRO COc1ncc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])cc1Cl ZINC000594506009 459066536 /nfs/dbraw/zinc/06/65/36/459066536.db2.gz IOEBEIWNJZROKO-AWEZNQCLSA-N 1 0 333.775 3.429 20 5 EGBDRO C[N@H+](CCNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)C1CCCC1 ZINC000520521241 459067539 /nfs/dbraw/zinc/06/75/39/459067539.db2.gz DMPBIRWIWITVDS-UHFFFAOYSA-N 1 0 347.459 3.497 20 5 EGBDRO C[C@H]([NH2+]C[C@@](C)(CO)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000478184236 459080895 /nfs/dbraw/zinc/08/08/95/459080895.db2.gz XQKHOSXOIXABLR-KXBFYZLASA-N 1 0 328.412 3.487 20 5 EGBDRO CCc1ccc([C@@H](CO)[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000577745799 459089061 /nfs/dbraw/zinc/08/90/61/459089061.db2.gz VZLWBEWYWUZRKX-QZTJIDSGSA-N 1 0 326.396 3.468 20 5 EGBDRO CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C[C@@H]1CCOC1 ZINC000590154139 459093686 /nfs/dbraw/zinc/09/36/86/459093686.db2.gz DLFSURNQKODSIS-NSHDSACASA-N 1 0 332.322 3.472 20 5 EGBDRO CSc1ccc([C@H](CNc2cccnc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000590150792 459093820 /nfs/dbraw/zinc/09/38/20/459093820.db2.gz GYJXUGOJFZMWHA-HNNXBMFYSA-N 1 0 332.429 3.427 20 5 EGBDRO O=[N+]([O-])c1cccc(F)c1N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000557672397 459098302 /nfs/dbraw/zinc/09/83/02/459098302.db2.gz AKXLCVJLDWIIAT-IYBDPMFKSA-N 1 0 341.386 3.302 20 5 EGBDRO COC(C)(C)C[C@@H](C)[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000532522576 459104270 /nfs/dbraw/zinc/10/42/70/459104270.db2.gz GTOBZHBADSMLPU-CHWSQXEVSA-N 1 0 337.420 3.105 20 5 EGBDRO Cc1ccc(CC[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])cc1C ZINC000594716063 459138481 /nfs/dbraw/zinc/13/84/81/459138481.db2.gz HRPVOFPQLGUKDM-UHFFFAOYSA-N 1 0 341.411 3.373 20 5 EGBDRO O=[N+]([O-])c1cc(CN[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)cs1 ZINC000594739308 459147553 /nfs/dbraw/zinc/14/75/53/459147553.db2.gz UMGFGUWHPXDRRR-HUUCEWRRSA-N 1 0 335.404 3.031 20 5 EGBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000590568376 459152006 /nfs/dbraw/zinc/15/20/06/459152006.db2.gz DBZVYUOUFCYZOF-UKRRQHHQSA-N 1 0 326.400 3.186 20 5 EGBDRO CCCCC[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C(C)C ZINC000532930700 459162585 /nfs/dbraw/zinc/16/25/85/459162585.db2.gz MMDLLXXSUDRYQA-UHFFFAOYSA-N 1 0 333.432 3.385 20 5 EGBDRO CCc1ccc(C(=O)N2CC[N@H+](C)CC23CCCCC3)cc1[N+](=O)[O-] ZINC000480056002 459180268 /nfs/dbraw/zinc/18/02/68/459180268.db2.gz DHRCMUQBTYXQED-UHFFFAOYSA-N 1 0 345.443 3.248 20 5 EGBDRO CC[C@@H]1C[N@H+](CC)CCN1c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000590723770 459194774 /nfs/dbraw/zinc/19/47/74/459194774.db2.gz IVHICAJNRYPVAH-LLVKDONJSA-N 1 0 329.347 3.117 20 5 EGBDRO Cc1nc(NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000480496255 459200592 /nfs/dbraw/zinc/20/05/92/459200592.db2.gz CQAIZWHXGYVHNE-GOSISDBHSA-N 1 0 340.427 3.043 20 5 EGBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C12CCCC2 ZINC000590739052 459201174 /nfs/dbraw/zinc/20/11/74/459201174.db2.gz JPPJMBSFQITSST-HZPDHXFCSA-N 1 0 344.415 3.299 20 5 EGBDRO CC(C)C[C@@H](C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)N(C)C ZINC000480532788 459203446 /nfs/dbraw/zinc/20/34/46/459203446.db2.gz ADVBLGVCEPYMMG-ZWKOTPCHSA-N 1 0 333.476 3.482 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCCn1nc(C)cc1C ZINC000595005103 459212767 /nfs/dbraw/zinc/21/27/67/459212767.db2.gz XRGHHFKTZGDMPI-CQSZACIVSA-N 1 0 332.404 3.158 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H](CO)Cc1ccccc1 ZINC000595016237 459216823 /nfs/dbraw/zinc/21/68/23/459216823.db2.gz JAGWJARCGJKPEX-GDBMZVCRSA-N 1 0 344.411 3.105 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCC(=O)Nc1ccccc1 ZINC000595016015 459217257 /nfs/dbraw/zinc/21/72/57/459217257.db2.gz GCKBIAVFBQGSRF-CYBMUJFWSA-N 1 0 343.383 3.283 20 5 EGBDRO C[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000595062217 459231577 /nfs/dbraw/zinc/23/15/77/459231577.db2.gz SDERWZQWGBMIAX-IZFNHILBSA-N 1 0 336.457 3.252 20 5 EGBDRO CC[C@H](C)[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000533426946 459233933 /nfs/dbraw/zinc/23/39/33/459233933.db2.gz PBYZMYQSGCSSJL-BBRMVZONSA-N 1 0 349.431 3.443 20 5 EGBDRO COc1ccc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c(OC)c1 ZINC000559072166 459234854 /nfs/dbraw/zinc/23/48/54/459234854.db2.gz VVBXGMJMXDJKFA-UHFFFAOYSA-N 1 0 330.384 3.287 20 5 EGBDRO Cc1cccc(CCC[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000481120593 459235242 /nfs/dbraw/zinc/23/52/42/459235242.db2.gz SPIQPWDGEXUTAD-QGZVFWFLSA-N 1 0 340.427 3.417 20 5 EGBDRO CC/C=C/CC[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000481209356 459238819 /nfs/dbraw/zinc/23/88/19/459238819.db2.gz UBFBADKQHBJPCC-ONEGZZNKSA-N 1 0 343.431 3.340 20 5 EGBDRO CO[C@H](C[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000595095089 459243059 /nfs/dbraw/zinc/24/30/59/459243059.db2.gz PLGLGXGJXMMOSB-CXAGYDPISA-N 1 0 349.431 3.107 20 5 EGBDRO CC(C)(C)N1C[C@H](C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1=O ZINC000595098606 459244647 /nfs/dbraw/zinc/24/46/47/459244647.db2.gz CCLLRIIMYQLCDI-GUYCJALGSA-N 1 0 345.443 3.209 20 5 EGBDRO Cc1ccc(C[NH2+][C@@H](COC(N)=O)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000496576848 459245714 /nfs/dbraw/zinc/24/57/14/459245714.db2.gz DZCRTTQIPNGKMI-MRXNPFEDSA-N 1 0 343.383 3.113 20 5 EGBDRO Cc1ccc([C@@H](C)NC(=O)C[C@@H]2[NH2+]Cc3ccccc32)cc1[N+](=O)[O-] ZINC000595254982 459262181 /nfs/dbraw/zinc/26/21/81/459262181.db2.gz RENZUTPXMYXBSX-DYVFJYSZSA-N 1 0 339.395 3.315 20 5 EGBDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000522850882 459266538 /nfs/dbraw/zinc/26/65/38/459266538.db2.gz RGPXVIMUMRWZRG-MRXNPFEDSA-N 1 0 333.432 3.288 20 5 EGBDRO CC(C)[C@@H](Cn1cccn1)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000559909172 459284952 /nfs/dbraw/zinc/28/49/52/459284952.db2.gz ALEULKACEGOWND-OAHLLOKOSA-N 1 0 336.823 3.302 20 5 EGBDRO CN1CCN(Cc2ccc(F)cc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000595395964 459290497 /nfs/dbraw/zinc/29/04/97/459290497.db2.gz AEQHKEONPIFMAZ-SFHVURJKSA-N 1 0 329.375 3.223 20 5 EGBDRO CCc1ccc(C(=O)N2CCC[N@H+](CC3CCC3)CC2)cc1[N+](=O)[O-] ZINC000582016080 459293417 /nfs/dbraw/zinc/29/34/17/459293417.db2.gz DRQQQINLZYSPSQ-UHFFFAOYSA-N 1 0 345.443 3.105 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cnc2n1CCCC2 ZINC000560092298 459300499 /nfs/dbraw/zinc/30/04/99/459300499.db2.gz NNBJIXGFUYBTSM-ZROIWOOFSA-N 1 0 326.400 3.321 20 5 EGBDRO CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000523438118 459302125 /nfs/dbraw/zinc/30/21/25/459302125.db2.gz MLZSZXZJAUGRHL-KRWDZBQOSA-N 1 0 344.390 3.402 20 5 EGBDRO CCOC(=O)C[C@@](C)([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])C(C)C ZINC000595451362 459306963 /nfs/dbraw/zinc/30/69/63/459306963.db2.gz XCJAPDSUOWWJSW-MRXNPFEDSA-N 1 0 326.368 3.191 20 5 EGBDRO C[N@@H+]1CCC[C@@H]2CN(c3nccc4ccc([N+](=O)[O-])cc43)CC[C@@H]21 ZINC000591151127 459322990 /nfs/dbraw/zinc/32/29/90/459322990.db2.gz UMDAPFIOENKNLT-PBHICJAKSA-N 1 0 326.400 3.064 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@H+](C3CC3)C3(CO)CCC3)co2)cc1 ZINC000595533117 459337224 /nfs/dbraw/zinc/33/72/24/459337224.db2.gz GTFAWIKKSQEIRW-UHFFFAOYSA-N 1 0 343.383 3.129 20 5 EGBDRO CCOC[C@@H]1CCC[C@H]1[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000568795783 459346794 /nfs/dbraw/zinc/34/67/94/459346794.db2.gz FQFOTSNTVCTMHO-WMLDXEAASA-N 1 0 331.416 3.413 20 5 EGBDRO O=C(C[N@H+](CC1CC1)C1CCC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000483297433 459357255 /nfs/dbraw/zinc/35/72/55/459357255.db2.gz OWSXACCDIKCJBX-UHFFFAOYSA-N 1 0 337.807 3.451 20 5 EGBDRO COc1ccccc1OCC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000582496391 459374781 /nfs/dbraw/zinc/37/47/81/459374781.db2.gz CWSPYOXXFZQWLG-HNNXBMFYSA-N 1 0 328.368 3.259 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](N[C@H]2CCC[NH2+]CC2)c2ccccc2)c1 ZINC000591578266 459406607 /nfs/dbraw/zinc/40/66/07/459406607.db2.gz JCGZNGJXYMQISE-HKUYNNGSSA-N 1 0 325.412 3.416 20 5 EGBDRO Cc1ccc(C[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])CCO)cc1 ZINC000541244969 459435731 /nfs/dbraw/zinc/43/57/31/459435731.db2.gz HXHMMVIXYYGNEF-XQRVVYSFSA-N 1 0 326.396 3.411 20 5 EGBDRO CC[N@@H+](Cc1ccc(C)cc1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000541282555 459440044 /nfs/dbraw/zinc/44/00/44/459440044.db2.gz NSLWHRIUGNVSID-QGZVFWFLSA-N 1 0 344.411 3.165 20 5 EGBDRO COc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)cc1[N+](=O)[O-] ZINC000595792257 459444308 /nfs/dbraw/zinc/44/43/08/459444308.db2.gz YVWPOQQOAYETAG-WBVHZDCISA-N 1 0 334.416 3.385 20 5 EGBDRO C[C@@H]1CC[N@H+](CCNC(=O)c2cc3ccccc3c3cccnc23)C1 ZINC000525293442 459444608 /nfs/dbraw/zinc/44/46/08/459444608.db2.gz ZOGYEQKWBYKJDX-OAHLLOKOSA-N 1 0 333.435 3.460 20 5 EGBDRO Cc1cc(NC[C@@H]2CC[N@@H+](C3CC3)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000561572254 459466558 /nfs/dbraw/zinc/46/65/58/459466558.db2.gz FGHPPQUPPVFOMT-ZDUSSCGKSA-N 1 0 326.400 3.348 20 5 EGBDRO COCc1cc([N+](=O)[O-])ccc1N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000525642786 459472161 /nfs/dbraw/zinc/47/21/61/459472161.db2.gz BUKJGZVUKVMDJF-KRWDZBQOSA-N 1 0 341.411 3.428 20 5 EGBDRO COc1cccc(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])c1C ZINC000596068213 459507346 /nfs/dbraw/zinc/50/73/46/459507346.db2.gz GECANLNZABOBGR-UHFFFAOYSA-N 1 0 343.383 3.030 20 5 EGBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(c2c(Cl)cncc2[N+](=O)[O-])C1 ZINC000596081656 459512729 /nfs/dbraw/zinc/51/27/29/459512729.db2.gz IRGMFIMFHCFZGW-JHJVBQTASA-N 1 0 338.839 3.485 20 5 EGBDRO CC(C)[NH2+][C@@H]1CCCN(c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000596099258 459519897 /nfs/dbraw/zinc/51/98/97/459519897.db2.gz QSGNTMOKQXBKMM-LLVKDONJSA-N 1 0 342.237 3.324 20 5 EGBDRO C[NH2+]C[C@@H](C)NCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000596104571 459522523 /nfs/dbraw/zinc/52/25/23/459522523.db2.gz GHHDSNNIPJKVRC-CQSZACIVSA-N 1 0 328.416 3.060 20 5 EGBDRO Cc1cc(NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c([N+](=O)[O-])s1 ZINC000596165366 459545058 /nfs/dbraw/zinc/54/50/58/459545058.db2.gz KCVMXRCIWWIJEF-GJZGRUSLSA-N 1 0 339.461 3.145 20 5 EGBDRO O=C(NC1CC[NH2+]CC1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000592284808 459571409 /nfs/dbraw/zinc/57/14/09/459571409.db2.gz OEQXIYBNYCSWQG-UHFFFAOYSA-N 1 0 349.456 3.111 20 5 EGBDRO O=C(c1cc([N+](=O)[O-])ccc1SC1CCCC1)N1CCC[NH2+]CC1 ZINC000592287257 459572124 /nfs/dbraw/zinc/57/21/24/459572124.db2.gz UKGLLHVEINWUFC-UHFFFAOYSA-N 1 0 349.456 3.065 20 5 EGBDRO CC[NH+](CC)Cc1ccc(C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000592409169 459595788 /nfs/dbraw/zinc/59/57/88/459595788.db2.gz UMYMKQFCYUSGHH-UHFFFAOYSA-N 1 0 347.371 3.291 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1ccc(CN2CC[C@@H]3CC[NH2+][C@@H]3C2)o1 ZINC000592432383 459600286 /nfs/dbraw/zinc/60/02/86/459600286.db2.gz GKPMIMKUOOHATJ-XJKSGUPXSA-N 1 0 327.384 3.039 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1C[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000542980405 459615936 /nfs/dbraw/zinc/61/59/36/459615936.db2.gz RRZLVRGCCDGCJD-ZNMIVQPWSA-N 1 0 331.416 3.352 20 5 EGBDRO CCC[C@H](C)[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000543208687 459635361 /nfs/dbraw/zinc/63/53/61/459635361.db2.gz YCTGCDOCWPIOCF-XHSDSOJGSA-N 1 0 336.432 3.235 20 5 EGBDRO Cc1cnc(N2CC[C@H]([N@H+](C)CCc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000596467519 459646985 /nfs/dbraw/zinc/64/69/85/459646985.db2.gz RADVVTSJKSZCAF-KRWDZBQOSA-N 1 0 340.427 3.051 20 5 EGBDRO Cc1ccnc(N2CC[C@@H]([N@H+](C)CCc3ccccc3)C2)c1[N+](=O)[O-] ZINC000596467191 459647021 /nfs/dbraw/zinc/64/70/21/459647021.db2.gz ODZUWLYYVKFEDA-QGZVFWFLSA-N 1 0 340.427 3.051 20 5 EGBDRO O=C(CC[NH2+][C@@H]1C[C@H]1c1ccccc1F)Nc1ccccc1[N+](=O)[O-] ZINC000562999802 459690879 /nfs/dbraw/zinc/69/08/79/459690879.db2.gz FPDZWUNGLMUBAK-XJKSGUPXSA-N 1 0 343.358 3.208 20 5 EGBDRO CCC1CCC([N@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000544142745 459733704 /nfs/dbraw/zinc/73/37/04/459733704.db2.gz AEKPORNVZWJBOC-UYSNPLJNSA-N 1 0 336.432 3.235 20 5 EGBDRO CCOC1CC(CC[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000573789776 459734707 /nfs/dbraw/zinc/73/47/07/459734707.db2.gz NKVYMIMMCROQHK-QDIHITRGSA-N 1 0 336.436 3.070 20 5 EGBDRO CCn1cc(C[N@H+](CCOc2cccc([N+](=O)[O-])c2)C(C)C)cn1 ZINC000593082930 459767615 /nfs/dbraw/zinc/76/76/15/459767615.db2.gz SUUXDVCEPNBKHF-UHFFFAOYSA-N 1 0 332.404 3.101 20 5 EGBDRO C[C@@H](CO)C1CC[NH+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000593084047 459767720 /nfs/dbraw/zinc/76/77/20/459767720.db2.gz PEPNFZDIECCCCO-ZDUSSCGKSA-N 1 0 345.399 3.090 20 5 EGBDRO C[C@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@]1(C)CO ZINC000597236130 459888366 /nfs/dbraw/zinc/88/83/66/459888366.db2.gz NZMRMOSKWVRWHA-SCLBCKFNSA-N 1 0 330.384 3.305 20 5 EGBDRO CC(C)(C)C(=O)N1CCC([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000608835965 459888884 /nfs/dbraw/zinc/88/88/84/459888884.db2.gz DCMUGRFEWBFJEP-SOFGYWHQSA-N 1 0 345.443 3.235 20 5 EGBDRO CC(C)[NH2+][C@@H]1CCCN(c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000608856054 459891241 /nfs/dbraw/zinc/89/12/41/459891241.db2.gz XWRCLYBUJULMNK-GFCCVEGCSA-N 1 0 342.237 3.324 20 5 EGBDRO C[C@H](CNc1ncnc2sc([N+](=O)[O-])cc21)[N@@H+]1CCC[C@@H](C)C1 ZINC000587210575 459891210 /nfs/dbraw/zinc/89/12/10/459891210.db2.gz UAGKUAPCWPXUAC-GHMZBOCLSA-N 1 0 335.433 3.132 20 5 EGBDRO C[C@@H](CNc1ncnc2sc([N+](=O)[O-])cc21)[N@@H+]1CCC[C@@H](C)C1 ZINC000587210580 459891298 /nfs/dbraw/zinc/89/12/98/459891298.db2.gz UAGKUAPCWPXUAC-MNOVXSKESA-N 1 0 335.433 3.132 20 5 EGBDRO CC[NH+](CC)Cc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2F)o1 ZINC000608870930 459892277 /nfs/dbraw/zinc/89/22/77/459892277.db2.gz NKNNILNGQFKETO-UHFFFAOYSA-N 1 0 335.335 3.421 20 5 EGBDRO CN(CC1=CCSC1)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000597246514 459894237 /nfs/dbraw/zinc/89/42/37/459894237.db2.gz VOVZBVSEVCZFFP-UHFFFAOYSA-N 1 0 330.356 3.301 20 5 EGBDRO O=[N+]([O-])c1ccc2[nH]c(CN3CCCc4sccc4C3)nc2c1 ZINC000618280675 459953807 /nfs/dbraw/zinc/95/38/07/459953807.db2.gz OVVFGNVQFFGGLR-UHFFFAOYSA-N 1 0 328.397 3.481 20 5 EGBDRO CC(C)[NH2+][C@@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000609386472 459954981 /nfs/dbraw/zinc/95/49/81/459954981.db2.gz UPSIXTXCSMRLAY-MRXNPFEDSA-N 1 0 335.448 3.344 20 5 EGBDRO CCC[C@@H]([NH2+]C[C@@H]1CC(=O)N(C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000593718146 459962362 /nfs/dbraw/zinc/96/23/62/459962362.db2.gz LPNOUWONBASYJJ-SUMWQHHRSA-N 1 0 331.416 3.037 20 5 EGBDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000609489499 459970115 /nfs/dbraw/zinc/97/01/15/459970115.db2.gz RBSIDQUUZJRRBI-LBPRGKRZSA-N 1 0 339.461 3.287 20 5 EGBDRO CN(C)[C@H](C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)c1ccsc1 ZINC000602513408 459976518 /nfs/dbraw/zinc/97/65/18/459976518.db2.gz XMTIHGGRDUAWOQ-CQSZACIVSA-N 1 0 346.412 3.190 20 5 EGBDRO C[C@@H](CNCc1nc2cc([N+](=O)[O-])ccc2o1)[N@@H+]1CCCC[C@@H]1C ZINC000602515966 459977548 /nfs/dbraw/zinc/97/75/48/459977548.db2.gz UMTZWXPPUCTNMY-STQMWFEESA-N 1 0 332.404 3.089 20 5 EGBDRO Cc1cccc(CC[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1 ZINC000602525550 459984095 /nfs/dbraw/zinc/98/40/95/459984095.db2.gz CWMJFIRDUMRZMP-UHFFFAOYSA-N 1 0 340.427 3.099 20 5 EGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]Cc1cccc(CO)c1 ZINC000602540821 459990991 /nfs/dbraw/zinc/99/09/91/459990991.db2.gz UUWDTYPJYUSNHW-UHFFFAOYSA-N 1 0 340.301 3.396 20 5 EGBDRO Cc1cccc2oc(CC[NH2+]CCc3ccc([N+](=O)[O-])cc3)nc21 ZINC000602555860 459996280 /nfs/dbraw/zinc/99/62/80/459996280.db2.gz BLZVONVGPWDUDC-UHFFFAOYSA-N 1 0 325.368 3.419 20 5 EGBDRO [NH3+][C@]12CCC[C@H]1CN(Cc1csc(-c3cccc([N+](=O)[O-])c3)n1)C2 ZINC000598717496 460005175 /nfs/dbraw/zinc/00/51/75/460005175.db2.gz GIAWJKUNASFHCD-GUYCJALGSA-N 1 0 344.440 3.032 20 5 EGBDRO Cc1ccc(C[NH2+]C[C@@H](CO)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000588928728 460006918 /nfs/dbraw/zinc/00/69/18/460006918.db2.gz NHPJJEYOOGIPLZ-HNNXBMFYSA-N 1 0 334.803 3.422 20 5 EGBDRO C[NH+](C)C1CCC2(CC1)CCN(C(=O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000597702980 460033562 /nfs/dbraw/zinc/03/35/62/460033562.db2.gz QSVKUQBAEGRARY-UHFFFAOYSA-N 1 0 345.443 3.321 20 5 EGBDRO C[N@H+](CCc1noc2ccccc21)CCc1cccc([N+](=O)[O-])c1 ZINC000593985961 460041613 /nfs/dbraw/zinc/04/16/13/460041613.db2.gz PZOUPKAUSMJRNO-UHFFFAOYSA-N 1 0 325.368 3.453 20 5 EGBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000610062452 460058084 /nfs/dbraw/zinc/05/80/84/460058084.db2.gz UIBGMICKVZOBJZ-LSDHHAIUSA-N 1 0 347.459 3.109 20 5 EGBDRO CC1(C)C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@@H]1[C@H]1CCCO1 ZINC000589272897 460065943 /nfs/dbraw/zinc/06/59/43/460065943.db2.gz SCBXWHNZGYQAAA-IAGOWNOFSA-N 1 0 334.416 3.253 20 5 EGBDRO COc1cc(C[N@@H+]2C[C@@H](C)C[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000610133518 460069862 /nfs/dbraw/zinc/06/98/62/460069862.db2.gz ZICHOWIFCZJVRQ-UWVGGRQHSA-N 1 0 330.331 3.435 20 5 EGBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]CCC2CC2)c1 ZINC000589314075 460070733 /nfs/dbraw/zinc/07/07/33/460070733.db2.gz HKHYXXSMUPHURT-UHFFFAOYSA-N 1 0 346.168 3.089 20 5 EGBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000597925533 460113536 /nfs/dbraw/zinc/11/35/36/460113536.db2.gz WQSHUZDXJUSUAI-HZPDHXFCSA-N 1 0 347.459 3.153 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H]1Cc1ccc(C)cc1 ZINC000602788889 460125997 /nfs/dbraw/zinc/12/59/97/460125997.db2.gz XJCRCFCDCIWVSG-QGZVFWFLSA-N 1 0 328.416 3.115 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000602791197 460127556 /nfs/dbraw/zinc/12/75/56/460127556.db2.gz NDQBZTMYGYHILW-KRWDZBQOSA-N 1 0 326.400 3.252 20 5 EGBDRO COc1ccc([C@H]([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)C2CC2)cn1 ZINC000599020915 460129735 /nfs/dbraw/zinc/12/97/35/460129735.db2.gz VSRUUVSNEAVIEA-GOSISDBHSA-N 1 0 343.383 3.248 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](C)c1ccccc1OC(C)C ZINC000602803634 460134835 /nfs/dbraw/zinc/13/48/35/460134835.db2.gz ZJYIWHZWRLBEGI-ZDUSSCGKSA-N 1 0 332.404 3.238 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H]1/C=C\c1ccccc1 ZINC000602808622 460138816 /nfs/dbraw/zinc/13/88/16/460138816.db2.gz YILSDFHFJCMJMT-DOOKAGJSSA-N 1 0 326.400 3.278 20 5 EGBDRO CSc1ccc(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000594203849 460149847 /nfs/dbraw/zinc/14/98/47/460149847.db2.gz USRMGVAZCSUXAM-ZIAGYGMSSA-N 1 0 349.456 3.063 20 5 EGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc[nH]c1=O ZINC000599086907 460157860 /nfs/dbraw/zinc/15/78/60/460157860.db2.gz AXSHLKMOEGJRSX-CYBMUJFWSA-N 1 0 333.413 3.356 20 5 EGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CC[C@H]1COc2ccccc2O1 ZINC000576597170 460176348 /nfs/dbraw/zinc/17/63/48/460176348.db2.gz JTZTUSWHDLOZKB-BBRMVZONSA-N 1 0 340.379 3.402 20 5 EGBDRO CC[N@@H+]1CC[C@@H](N(C)Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H]1C ZINC000610582664 460188563 /nfs/dbraw/zinc/18/85/63/460188563.db2.gz IZCCXGBPURSYLP-CHWSQXEVSA-N 1 0 332.404 3.041 20 5 EGBDRO O=[N+]([O-])c1cc2c(cc1CN1CCC[C@@H]1c1ccc[nH]1)OCCO2 ZINC000610938731 460263258 /nfs/dbraw/zinc/26/32/58/460263258.db2.gz POFFIEGEKKQLRJ-CQSZACIVSA-N 1 0 329.356 3.031 20 5 EGBDRO CC(=O)N1CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000611134274 460294613 /nfs/dbraw/zinc/29/46/13/460294613.db2.gz JLJDIHJJNJTVPJ-QGZVFWFLSA-N 1 0 325.368 3.182 20 5 EGBDRO CC(=O)N1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000611134273 460295104 /nfs/dbraw/zinc/29/51/04/460295104.db2.gz JLJDIHJJNJTVPJ-KRWDZBQOSA-N 1 0 325.368 3.182 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)nc1-c1ccccc1 ZINC000611182847 460303756 /nfs/dbraw/zinc/30/37/56/460303756.db2.gz GTINQGOEQSPOTA-JKSUJKDBSA-N 1 0 338.411 3.117 20 5 EGBDRO CCC(O)(CC)C[N@H+](C)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000599672532 460305463 /nfs/dbraw/zinc/30/54/63/460305463.db2.gz FGLORQQHUMSOGR-GFCCVEGCSA-N 1 0 348.403 3.189 20 5 EGBDRO CCC1(O)CCC([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000611314628 460335541 /nfs/dbraw/zinc/33/55/41/460335541.db2.gz VCOFFIBYCVXXIH-UHFFFAOYSA-N 1 0 344.358 3.370 20 5 EGBDRO CC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])Cc1ccc(Cl)s1 ZINC000611524549 460387108 /nfs/dbraw/zinc/38/71/08/460387108.db2.gz TUOZRHQRPLHZCH-UHFFFAOYSA-N 1 0 328.825 3.337 20 5 EGBDRO Cc1cc(N2CCO[C@@H](C(F)(F)F)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000611930379 460490416 /nfs/dbraw/zinc/49/04/16/460490416.db2.gz FITPCMSWEOKZIJ-CQSZACIVSA-N 1 0 341.289 3.219 20 5 EGBDRO C[C@@H](NC(=O)c1c(F)cccc1[N+](=O)[O-])[C@@H](c1ccccc1)[NH+](C)C ZINC000601456728 460815317 /nfs/dbraw/zinc/81/53/17/460815317.db2.gz VPMQNQABLXISMF-PXAZEXFGSA-N 1 0 345.374 3.155 20 5 EGBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(N(C)C)cc[nH+]1 ZINC000613239960 460879774 /nfs/dbraw/zinc/87/97/74/460879774.db2.gz FIXQZWJOMLWFTE-CQSZACIVSA-N 1 0 342.399 3.263 20 5 EGBDRO COc1ccc(NC(=O)CC[NH2+][C@@H]2CCCC2(C)C)c([N+](=O)[O-])c1 ZINC000191290734 534069122 /nfs/dbraw/zinc/06/91/22/534069122.db2.gz KZKLHHYMNPQFNH-OAHLLOKOSA-N 1 0 335.404 3.100 20 5 EGBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)C1 ZINC000191397871 527831511 /nfs/dbraw/zinc/83/15/11/527831511.db2.gz BAGRKJFDTIQBBB-CQSZACIVSA-N 1 0 334.420 3.017 20 5 EGBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccc(C[NH3+])cc1 ZINC000155322087 528941907 /nfs/dbraw/zinc/94/19/07/528941907.db2.gz VWAAYJDGFOQNSX-UHFFFAOYSA-N 1 0 327.384 3.104 20 5 EGBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000266309784 535259963 /nfs/dbraw/zinc/25/99/63/535259963.db2.gz NVNFECVJTKNDIF-ZDUSSCGKSA-N 1 0 345.399 3.145 20 5 EGBDRO Cc1ccccc1C(C)(C)[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000293026302 547417982 /nfs/dbraw/zinc/41/79/82/547417982.db2.gz RDLKCYOKVYZXHX-UHFFFAOYSA-N 1 0 327.384 3.027 20 5 EGBDRO CC[C@@H]1C[N@H+](Cc2c([N+](=O)[O-])ncn2C)CC[C@@H]1c1ccccc1 ZINC000365852208 547779736 /nfs/dbraw/zinc/77/97/36/547779736.db2.gz JUARIZFDUKEQPR-ZBFHGGJFSA-N 1 0 328.416 3.344 20 5 EGBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000732575588 575276817 /nfs/dbraw/zinc/27/68/17/575276817.db2.gz IGGDKUILSBOWGF-NWDGAFQWSA-N 1 0 339.823 3.098 20 5 EGBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000732575590 575276910 /nfs/dbraw/zinc/27/69/10/575276910.db2.gz IGGDKUILSBOWGF-RYUDHWBXSA-N 1 0 339.823 3.098 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccccc3)CC2)c2cccnc21 ZINC000196204660 575315587 /nfs/dbraw/zinc/31/55/87/575315587.db2.gz OKSIWTNWOIRKML-UHFFFAOYSA-N 1 0 348.406 3.465 20 5 EGBDRO Cc1nn(C[N@@H+]2CCC[C@@H]2Cc2ccccc2C)c(C)c1[N+](=O)[O-] ZINC000734143169 575441294 /nfs/dbraw/zinc/44/12/94/575441294.db2.gz AMIPQNWLKIAHJI-QGZVFWFLSA-N 1 0 328.416 3.381 20 5 EGBDRO Cc1cc(NC(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000352881681 576111834 /nfs/dbraw/zinc/11/18/34/576111834.db2.gz DSTCYROAZWVZEC-GXTWGEPZSA-N 1 0 334.420 3.145 20 5 EGBDRO CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC)C[C@H](O)c1ccc(C)cc1 ZINC000743866644 576817650 /nfs/dbraw/zinc/81/76/50/576817650.db2.gz KANRVVKVHKLRIG-SFHVURJKSA-N 1 0 344.411 3.467 20 5 EGBDRO CN(C[C@@H]1CCC[N@@H+]1Cc1ccccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000743866884 576817655 /nfs/dbraw/zinc/81/76/55/576817655.db2.gz PCLZHCMIYFBGHQ-HNNXBMFYSA-N 1 0 349.431 3.426 20 5 EGBDRO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cccnc1Cl ZINC000056197005 1291807264 /nfs/dbraw/zinc/80/72/64/1291807264.db2.gz AVHQCUINPKPENI-GHMZBOCLSA-N 1 0 348.790 3.321 20 5 EGBDRO C[N@H+](CCNC(=O)c1cc([N+](=O)[O-])ccc1Cl)Cc1ccccc1 ZINC000063697525 1292021519 /nfs/dbraw/zinc/02/15/19/1292021519.db2.gz GXUXOSJQJUIYAI-UHFFFAOYSA-N 1 0 347.802 3.110 20 5 EGBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000075334569 1292390450 /nfs/dbraw/zinc/39/04/50/1292390450.db2.gz QBUPRAFVORPJAF-LBPRGKRZSA-N 1 0 339.823 3.052 20 5 EGBDRO COC[C@@H]([NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1)C(C)C ZINC000086698102 1292735995 /nfs/dbraw/zinc/73/59/95/1292735995.db2.gz NWQBGJIDPOSZGS-GFCCVEGCSA-N 1 0 331.210 3.118 20 5 EGBDRO C[N@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)[C@H](CO)C(C)(C)C ZINC000093821896 1292933380 /nfs/dbraw/zinc/93/33/80/1292933380.db2.gz QJGWHVCYNIFIKS-CYBMUJFWSA-N 1 0 345.237 3.196 20 5 EGBDRO Cc1cc(Br)cc([N+](=O)[O-])c1OC[C@@H]1CCC[NH2+]C1 ZINC000094296474 1292942016 /nfs/dbraw/zinc/94/20/16/1292942016.db2.gz KZCQXSPYAUHNTP-SNVBAGLBSA-N 1 0 329.194 3.044 20 5 EGBDRO C[C@@H]([NH2+][C@@H]1CCO[C@@H](c2ccccn2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834905395 1293171344 /nfs/dbraw/zinc/17/13/44/1293171344.db2.gz UHYATISRPFOFQG-RVZJWNSFSA-N 1 0 342.399 3.143 20 5 EGBDRO CS[C@@H]1CC[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000128644627 1293600137 /nfs/dbraw/zinc/60/01/37/1293600137.db2.gz JYDDWORJPIUKFY-WMLDXEAASA-N 1 0 335.473 3.437 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@](C)(O)c1ccc(F)cc1 ZINC000157821995 1294188945 /nfs/dbraw/zinc/18/89/45/1294188945.db2.gz GFQJIIWMCRPHKV-GOSISDBHSA-N 1 0 348.374 3.130 20 5 EGBDRO CC(C)C[NH+](CC(C)C)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000172890997 1294447468 /nfs/dbraw/zinc/44/74/68/1294447468.db2.gz WLNUUFCUISRKJV-UHFFFAOYSA-N 1 0 331.420 3.425 20 5 EGBDRO Cc1nn(C[N@@H+]2CC[C@@H](c3ccccc3)[C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000172937078 1294450508 /nfs/dbraw/zinc/45/05/08/1294450508.db2.gz WMRMQJMEESJRHU-CXAGYDPISA-N 1 0 328.416 3.491 20 5 EGBDRO CC[C@@]1(C)CCC[N@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000173425886 1294461850 /nfs/dbraw/zinc/46/18/50/1294461850.db2.gz HHHHEBKZOAYAEP-KRWDZBQOSA-N 1 0 329.404 3.323 20 5 EGBDRO CC(C)(C)OC(=O)NCCN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000179239704 1294779548 /nfs/dbraw/zinc/77/95/48/1294779548.db2.gz YWXGLVUNXHRRRO-UHFFFAOYSA-N 1 0 335.404 3.084 20 5 EGBDRO CN(CCOCC(F)(F)F)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000193811075 1295913310 /nfs/dbraw/zinc/91/33/10/1295913310.db2.gz GKZAIKDUFDDSRA-UHFFFAOYSA-N 1 0 326.702 3.259 20 5 EGBDRO CC[NH+](CC)Cc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N)c1 ZINC000195186311 1296046046 /nfs/dbraw/zinc/04/60/46/1296046046.db2.gz SESMEMGBMUTAOK-UHFFFAOYSA-N 1 0 342.399 3.271 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCNC(=O)C(C)C ZINC000872051807 1296702547 /nfs/dbraw/zinc/70/25/47/1296702547.db2.gz NREWQSSQLIAEAB-GFCCVEGCSA-N 1 0 339.461 3.130 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCc1nnc(C)s1 ZINC000872073871 1296720103 /nfs/dbraw/zinc/72/01/03/1296720103.db2.gz WGOXEXLJWCFXQW-SECBINFHSA-N 1 0 338.458 3.370 20 5 EGBDRO C[C@H]1[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCN1C(=O)OC(C)(C)C ZINC000310836192 1297101540 /nfs/dbraw/zinc/10/15/40/1297101540.db2.gz LTJDVFLMSRREHP-XJKSGUPXSA-N 1 0 349.431 3.472 20 5 EGBDRO O=[N+]([O-])c1c(Br)cccc1NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000312415126 1297116348 /nfs/dbraw/zinc/11/63/48/1297116348.db2.gz QSLFPWUAWMKWFU-SNVBAGLBSA-N 1 0 340.221 3.254 20 5 EGBDRO CC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)C(=O)NCc1cccs1 ZINC000873134332 1297290132 /nfs/dbraw/zinc/29/01/32/1297290132.db2.gz PAXNGPKMSDMXNH-OAHLLOKOSA-N 1 0 347.440 3.149 20 5 EGBDRO Cc1c(C[NH2+]Cc2cc3c([nH]c2=O)CCCC3)cccc1[N+](=O)[O-] ZINC000873152548 1297304062 /nfs/dbraw/zinc/30/40/62/1297304062.db2.gz TULAKCKSYHGIMD-UHFFFAOYSA-N 1 0 327.384 3.172 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000873809648 1297691612 /nfs/dbraw/zinc/69/16/12/1297691612.db2.gz NUKGLQFBLSTKNH-AWEZNQCLSA-N 1 0 347.440 3.306 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC000873828160 1297698226 /nfs/dbraw/zinc/69/82/26/1297698226.db2.gz ICODCZIWLHFVHW-CQSZACIVSA-N 1 0 333.432 3.206 20 5 EGBDRO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000711449278 1298260395 /nfs/dbraw/zinc/26/03/95/1298260395.db2.gz HEYUEYSVFBKHLS-GASCZTMLSA-N 1 0 349.431 3.030 20 5 EGBDRO C[C@H]([NH2+]C[C@@H]1CCN1C(=O)OC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000724953549 1298350034 /nfs/dbraw/zinc/35/00/34/1298350034.db2.gz RXBKKPABTSOOLH-WFASDCNBSA-N 1 0 335.404 3.255 20 5 EGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]C[C@@H](O)c1ccco1 ZINC000876916973 1299065900 /nfs/dbraw/zinc/06/59/00/1299065900.db2.gz KNKQMDVEBOXJSQ-GFCCVEGCSA-N 1 0 330.262 3.030 20 5 EGBDRO Cc1ccc([C@H](O)C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])o1 ZINC000877059096 1299137593 /nfs/dbraw/zinc/13/75/93/1299137593.db2.gz JMUYYUFGAAWHJD-CYBMUJFWSA-N 1 0 344.289 3.338 20 5 EGBDRO CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000877258928 1299225709 /nfs/dbraw/zinc/22/57/09/1299225709.db2.gz VWPDNGHVWRPHMI-MRXNPFEDSA-N 1 0 339.823 3.085 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2CCOc3c(Cl)cccc32)c1 ZINC000749691662 1299256791 /nfs/dbraw/zinc/25/67/91/1299256791.db2.gz QLZOQZXXUASUFS-JKSUJKDBSA-N 1 0 348.786 3.395 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H]2CCOc3c(Cl)cccc32)c1 ZINC000749691656 1299257064 /nfs/dbraw/zinc/25/70/64/1299257064.db2.gz QLZOQZXXUASUFS-HOTGVXAUSA-N 1 0 348.786 3.395 20 5 EGBDRO CC[N@@H+](Cc1ccccc1)Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC000749937382 1299304352 /nfs/dbraw/zinc/30/43/52/1299304352.db2.gz MDBALRWZMNGXBX-UHFFFAOYSA-N 1 0 325.372 3.128 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC=C(c2ccc(C)cc2)CC1 ZINC000877909748 1299635790 /nfs/dbraw/zinc/63/57/90/1299635790.db2.gz NWRNFRWFFPOXQZ-UHFFFAOYSA-N 1 0 326.400 3.197 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1nnc(C[N@@H+]2CC[C@H](C3CCC3)C2)o1 ZINC000878715704 1300158798 /nfs/dbraw/zinc/15/87/98/1300158798.db2.gz CCVYYVKRCHYPRX-ZDUSSCGKSA-N 1 0 328.372 3.267 20 5 EGBDRO CCCCCC[N@H+](C)CC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000756991678 1300606387 /nfs/dbraw/zinc/60/63/87/1300606387.db2.gz RMWBMVIEKDFXNA-UHFFFAOYSA-N 1 0 341.839 3.377 20 5 EGBDRO Cc1cc(F)cc(C(=O)Nc2ccc(C[NH+](C)C)c(F)c2)c1[N+](=O)[O-] ZINC000758510236 1300899747 /nfs/dbraw/zinc/89/97/47/1300899747.db2.gz QAUOCLPBPSHLIK-UHFFFAOYSA-N 1 0 349.337 3.495 20 5 EGBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@@H](CF)C1 ZINC000880235060 1300996790 /nfs/dbraw/zinc/99/67/90/1300996790.db2.gz XRKNAURDPQGTRX-RYUDHWBXSA-N 1 0 334.351 3.387 20 5 EGBDRO CC(C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2OC(F)F)CC1 ZINC000760516940 1301287345 /nfs/dbraw/zinc/28/73/45/1301287345.db2.gz YWXLYXIJCUEVPE-UHFFFAOYSA-N 1 0 329.347 3.163 20 5 EGBDRO C[C@@H](CNCc1ccc([N+](=O)[O-])c(Cl)c1)C[NH+]1CCCCC1 ZINC000761522977 1301490421 /nfs/dbraw/zinc/49/04/21/1301490421.db2.gz OGKVSLWADBYBAW-ZDUSSCGKSA-N 1 0 325.840 3.460 20 5 EGBDRO C[NH+]1CCC(Nc2cc(F)cc(Br)c2[N+](=O)[O-])CC1 ZINC000881772833 1301716690 /nfs/dbraw/zinc/71/66/90/1301716690.db2.gz BEMJXAPBVHNSOR-UHFFFAOYSA-N 1 0 332.173 3.003 20 5 EGBDRO CCCN(CC[NH+](CC)CC)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000763766569 1301958905 /nfs/dbraw/zinc/95/89/05/1301958905.db2.gz AGJRVOLCPQELEW-FMIVXFBMSA-N 1 0 333.432 3.188 20 5 EGBDRO O=C(Nc1ccn(-c2cc[nH+]cc2)n1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000764236405 1302034104 /nfs/dbraw/zinc/03/41/04/1302034104.db2.gz FGAVSKJIDJFPFW-UHFFFAOYSA-N 1 0 343.730 3.081 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000765661419 1302298339 /nfs/dbraw/zinc/29/83/39/1302298339.db2.gz GMYADZKKSLUUSF-HNNXBMFYSA-N 1 0 332.404 3.042 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H]2CCCOc3ccccc32)cc1 ZINC000765848934 1302338256 /nfs/dbraw/zinc/33/82/56/1302338256.db2.gz LHSWJRBFMGICLP-DLBZAZTESA-N 1 0 328.368 3.132 20 5 EGBDRO COc1ccc(CC[C@H](C)[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000765845618 1302339074 /nfs/dbraw/zinc/33/90/74/1302339074.db2.gz RHHCODKKFPZIJN-IFXJQAMLSA-N 1 0 344.411 3.248 20 5 EGBDRO CC[N@@H+]1C[C@H](C)N(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000766305484 1302427376 /nfs/dbraw/zinc/42/73/76/1302427376.db2.gz AUTGMTSTPIVVBL-QWRGUYRKSA-N 1 0 340.811 3.195 20 5 EGBDRO CC[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CCOCC1 ZINC000766390422 1302443010 /nfs/dbraw/zinc/44/30/10/1302443010.db2.gz VECIOSRNMQOJQE-IBGZPJMESA-N 1 0 347.459 3.358 20 5 EGBDRO CCC[C@@H](C)[C@@H]1CCC[N@@H+]1Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000767765788 1302761003 /nfs/dbraw/zinc/76/10/03/1302761003.db2.gz OWHQYWMPEFOKRJ-OCCSQVGLSA-N 1 0 333.388 3.361 20 5 EGBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)Cc2cnccn2)cc1[N+](=O)[O-] ZINC000768100415 1302823904 /nfs/dbraw/zinc/82/39/04/1302823904.db2.gz ULRLKKNZRDPRAO-CHWSQXEVSA-N 1 0 330.388 3.065 20 5 EGBDRO C[C@H](NC(=O)c1cc(F)ccc1[N+](=O)[O-])[C@H](c1ccccc1)[NH+](C)C ZINC000770042912 1303211305 /nfs/dbraw/zinc/21/13/05/1303211305.db2.gz BVRBZPQPSGRDGA-YVEFUNNKSA-N 1 0 345.374 3.155 20 5 EGBDRO Cc1nn(C[N@H+]2CC[C@@H](C)C3(CCC3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000770670529 1303302810 /nfs/dbraw/zinc/30/28/10/1303302810.db2.gz LTMXOPBPLGEYLB-GFCCVEGCSA-N 1 0 329.404 3.118 20 5 EGBDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(Cc2cccnc2[N+](=O)[O-])C1 ZINC000886010975 1303317486 /nfs/dbraw/zinc/31/74/86/1303317486.db2.gz TZTWIMZATHVHBE-CVEARBPZSA-N 1 0 332.448 3.076 20 5 EGBDRO O=[N+]([O-])c1ncccc1C[N@H+]1CCCC[C@@H]1[C@H](O)c1ccccc1 ZINC000886057821 1303340476 /nfs/dbraw/zinc/34/04/76/1303340476.db2.gz XYVQKGVILMPFDW-IAGOWNOFSA-N 1 0 327.384 3.078 20 5 EGBDRO O=[N+]([O-])c1ncccc1C[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000886304403 1303429564 /nfs/dbraw/zinc/42/95/64/1303429564.db2.gz XADIQEWJKAEIFK-CABCVRRESA-N 1 0 333.775 3.263 20 5 EGBDRO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)CCO2 ZINC000772979139 1303600933 /nfs/dbraw/zinc/60/09/33/1303600933.db2.gz GULXVEPRLVCQPL-ZDUSSCGKSA-N 1 0 328.368 3.259 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCCc3ccccn3)CC2)cc1 ZINC000773081281 1303620641 /nfs/dbraw/zinc/62/06/41/1303620641.db2.gz MATGXOFYURAGOI-UHFFFAOYSA-N 1 0 340.427 3.181 20 5 EGBDRO COc1ccc([C@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000774408856 1303806365 /nfs/dbraw/zinc/80/63/65/1303806365.db2.gz JLTISEKOMFICNI-RBUKOAKNSA-N 1 0 342.395 3.378 20 5 EGBDRO CS[C@H]1CN(c2cc(C)c([N+](=O)[O-])cc2Cl)C[C@@H]1[NH+](C)C ZINC000774536275 1303824293 /nfs/dbraw/zinc/82/42/93/1303824293.db2.gz LVQWQCLGOJXGOM-KBPBESRZSA-N 1 0 329.853 3.038 20 5 EGBDRO C[C@H](C[N@H+](C)Cc1ccccc1)Nc1nc2ccccn2c1[N+](=O)[O-] ZINC000775711177 1304019542 /nfs/dbraw/zinc/01/95/42/1304019542.db2.gz WGQFPFNXEMYGMJ-CQSZACIVSA-N 1 0 339.399 3.175 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC[C@H]2Cc2ccc(F)cc2)cc1 ZINC000776277494 1304126429 /nfs/dbraw/zinc/12/64/29/1304126429.db2.gz PZPZCZRGIIZZCQ-RBUKOAKNSA-N 1 0 344.386 3.474 20 5 EGBDRO Cc1ccccc1[C@@H]1CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776581382 1304175449 /nfs/dbraw/zinc/17/54/49/1304175449.db2.gz IFEFHEAGTOSKIY-VQIMIIECSA-N 1 0 326.396 3.426 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCSC[C@@H]2c2ccccc2)cc1 ZINC000776582715 1304175490 /nfs/dbraw/zinc/17/54/90/1304175490.db2.gz ATLFMUUPXZHSOQ-QZTJIDSGSA-N 1 0 344.436 3.418 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CC[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000776593042 1304177679 /nfs/dbraw/zinc/17/76/79/1304177679.db2.gz UMUATWHUAACEBZ-CRAIPNDOSA-N 1 0 330.359 3.257 20 5 EGBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H](OC)C(F)(F)F)cc1[N+](=O)[O-] ZINC000777008249 1304232896 /nfs/dbraw/zinc/23/28/96/1304232896.db2.gz FSEGYYQOEMMEHL-ZANVPECISA-N 1 0 336.310 3.221 20 5 EGBDRO C[N@@H+](Cc1cc(F)c(F)c(F)c1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000777740612 1304342153 /nfs/dbraw/zinc/34/21/53/1304342153.db2.gz CZFAUTUJZZQKNR-HNNXBMFYSA-N 1 0 340.301 3.178 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2COC3(CCCCCC3)O2)c(F)c1 ZINC000778108870 1304398000 /nfs/dbraw/zinc/39/80/00/1304398000.db2.gz YBZAWYCXFVQPFT-OAHLLOKOSA-N 1 0 338.379 3.289 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](C[C@@H]3CCc4ccccc43)C2)nc1 ZINC000780304484 1304675194 /nfs/dbraw/zinc/67/51/94/1304675194.db2.gz VDCHMMGLVKFXFU-HOTGVXAUSA-N 1 0 338.411 3.206 20 5 EGBDRO CC(C)[C@@H]1CCC[N@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000780498194 1304700707 /nfs/dbraw/zinc/70/07/07/1304700707.db2.gz NPRIEQWLCRQQHW-OAHLLOKOSA-N 1 0 329.404 3.179 20 5 EGBDRO C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000781214808 1304792107 /nfs/dbraw/zinc/79/21/07/1304792107.db2.gz NSYUKILALCVMLE-STQMWFEESA-N 1 0 349.406 3.117 20 5 EGBDRO Cc1nn(C[N@H+]2C[C@H](C)[C@@H]3CCCC[C@@H]32)c2ncc([N+](=O)[O-])cc12 ZINC000782278091 1304946581 /nfs/dbraw/zinc/94/65/81/1304946581.db2.gz SYTIQZRNZMTTGV-PJODQICGSA-N 1 0 329.404 3.116 20 5 EGBDRO Cc1cccc(C)c1N(C[C@H](C)[NH+](C)C)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000891571384 1305094507 /nfs/dbraw/zinc/09/45/07/1305094507.db2.gz ZLTALXAMUUANNC-INIZCTEOSA-N 1 0 349.475 3.422 20 5 EGBDRO C[N@H+](CC1CC1)C[C@H]1CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000783573893 1305110747 /nfs/dbraw/zinc/11/07/47/1305110747.db2.gz MIYFCFDTYPQEPT-OAHLLOKOSA-N 1 0 337.851 3.412 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2C[C@H]3C[C@@]3(CO)C2)s1 ZINC000783733420 1305135982 /nfs/dbraw/zinc/13/59/82/1305135982.db2.gz HQAARZCULAILOI-PXAZEXFGSA-N 1 0 330.409 3.138 20 5 EGBDRO CCCO[C@@H]1CCC[N@H+](Cc2ccc(O)c(OC)c2[N+](=O)[O-])CC1 ZINC000892008809 1305228753 /nfs/dbraw/zinc/22/87/53/1305228753.db2.gz WKHGJMVDYQZBDU-CQSZACIVSA-N 1 0 338.404 3.090 20 5 EGBDRO COc1c(O)ccc(C[NH2+][C@@H]2CCc3cc(C)ccc32)c1[N+](=O)[O-] ZINC000892680115 1305504638 /nfs/dbraw/zinc/50/46/38/1305504638.db2.gz MDGYFADAGCOXPV-OAHLLOKOSA-N 1 0 328.368 3.395 20 5 EGBDRO COc1c(O)ccc(C[NH2+]C2(c3ccccc3)CCC2)c1[N+](=O)[O-] ZINC000892755804 1305541828 /nfs/dbraw/zinc/54/18/28/1305541828.db2.gz QDVAZIDKAPWHJR-UHFFFAOYSA-N 1 0 328.368 3.478 20 5 EGBDRO COC(=O)C1CCC([NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000786812698 1305633236 /nfs/dbraw/zinc/63/32/36/1305633236.db2.gz IYTYQGRSUYBMGH-JLHYYAGUSA-N 1 0 332.400 3.320 20 5 EGBDRO C[C@H](NCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788541157 1305966849 /nfs/dbraw/zinc/96/68/49/1305966849.db2.gz XALXFMJGTMRPLC-KFWWJZLASA-N 1 0 334.464 3.196 20 5 EGBDRO C[C@H]([NH2+]Cc1ccccc1-n1ccnc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788563425 1305971856 /nfs/dbraw/zinc/97/18/56/1305971856.db2.gz POMCXXYRLCACLZ-ZDUSSCGKSA-N 1 0 337.383 3.214 20 5 EGBDRO C[C@H]([NH2+][C@H]1CCOc2c(F)cccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788759562 1306010477 /nfs/dbraw/zinc/01/04/77/1306010477.db2.gz USZLEUSMVBXQMX-BONVTDFDSA-N 1 0 331.347 3.491 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2cnn(C[N@@H+]3CCC[C@@H]3[C@@H]3CCCO3)c2)cc1 ZINC000789507345 1306174825 /nfs/dbraw/zinc/17/48/25/1306174825.db2.gz OSNLLKZRLLICKL-MSOLQXFVSA-N 1 0 342.399 3.059 20 5 EGBDRO COCC[N@H+](Cn1ncc2cc([N+](=O)[O-])ccc21)[C@@H]1CC[C@H](C)C1 ZINC000790482175 1306335754 /nfs/dbraw/zinc/33/57/54/1306335754.db2.gz ZMBZAEVLWSURAV-DZGCQCFKSA-N 1 0 332.404 3.039 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]CCO[C@@H]3CCCCO3)o2)c1 ZINC000894801095 1309078406 /nfs/dbraw/zinc/07/84/06/1309078406.db2.gz VWKMQKGFEOCWFA-GOSISDBHSA-N 1 0 346.383 3.488 20 5 EGBDRO CC[NH+](CC)Cc1ccc(C(=O)Oc2ccc(OC)c([N+](=O)[O-])c2)o1 ZINC000792591074 1309195128 /nfs/dbraw/zinc/19/51/28/1309195128.db2.gz XHHJGCHAQLRVJY-UHFFFAOYSA-N 1 0 348.355 3.257 20 5 EGBDRO CN(CC[NH+]1CCCC1)C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000813439292 1318564139 /nfs/dbraw/zinc/56/41/39/1318564139.db2.gz OXZJGDDJSNLALQ-UHFFFAOYSA-N 1 0 346.214 3.069 20 5 EGBDRO COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)[C@H]1C ZINC000793009891 1309280827 /nfs/dbraw/zinc/28/08/27/1309280827.db2.gz NLCQPFGNPOEXIE-PGUXBMHVSA-N 1 0 340.807 3.316 20 5 EGBDRO Cc1nn(C[N@@H+]2C[C@H](c3ccccc3)[C@H]3CCC[C@H]32)cc1[N+](=O)[O-] ZINC000795682990 1309806365 /nfs/dbraw/zinc/80/63/65/1309806365.db2.gz ZLRGCUVRUOLZIE-BRWVUGGUSA-N 1 0 326.400 3.325 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000796114196 1309911958 /nfs/dbraw/zinc/91/19/58/1309911958.db2.gz PEONRONSSVXFOQ-UHFFFAOYSA-N 1 0 345.355 3.186 20 5 EGBDRO COc1ccc(C[NH2+][C@H](C)[C@H](O)c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000796480459 1310011182 /nfs/dbraw/zinc/01/11/82/1310011182.db2.gz MBGPUNIXWGOPRW-ACJLOTCBSA-N 1 0 330.384 3.124 20 5 EGBDRO CC[NH+](CC)CCCOC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000800110466 1310673046 /nfs/dbraw/zinc/67/30/46/1310673046.db2.gz JXQWNUVWXMKWOA-UHFFFAOYSA-N 1 0 349.431 3.084 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)c1C ZINC000898787684 1310843863 /nfs/dbraw/zinc/84/38/63/1310843863.db2.gz YACWBZGMFKFGIR-AWEZNQCLSA-N 1 0 333.432 3.062 20 5 EGBDRO COCC[N@H+](CCc1ccccc1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801513808 1310950459 /nfs/dbraw/zinc/95/04/59/1310950459.db2.gz RGAATNBZMWWEEN-UHFFFAOYSA-N 1 0 332.375 3.425 20 5 EGBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)CCc1cccc([N+](=O)[O-])c1 ZINC000801600357 1310972408 /nfs/dbraw/zinc/97/24/08/1310972408.db2.gz OVVXMGBNJQRQTH-UHFFFAOYSA-N 1 0 345.355 3.056 20 5 EGBDRO COc1cc(C[NH2+]C[C@@]2(C)CC2(Cl)Cl)c([N+](=O)[O-])cc1OC ZINC000824766737 1320284164 /nfs/dbraw/zinc/28/41/64/1320284164.db2.gz WXQBVDSISUBOEW-CYBMUJFWSA-N 1 0 349.214 3.286 20 5 EGBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@H]2CCc3ccc(Cl)nc32)cc1 ZINC000857905687 1328621228 /nfs/dbraw/zinc/62/12/28/1328621228.db2.gz MTHNPHPWXJWCJT-AWEZNQCLSA-N 1 0 333.775 3.299 20 5 EGBDRO CC(C)[NH+]1CCC(N(C)C(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000929726420 1328679319 /nfs/dbraw/zinc/67/93/19/1328679319.db2.gz VTBPOFDUTZLJPV-ROUUACIJSA-N 1 0 345.443 3.030 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H]2C[C@H]2c2nc(C3C[C@H]4CC[C@@H](C3)[NH2+]4)no2)c1 ZINC000900016932 1317217948 /nfs/dbraw/zinc/21/79/48/1317217948.db2.gz TZLKUMLXUDCXOA-INYYZSPWSA-N 1 0 340.383 3.247 20 5 EGBDRO C[NH+](C)[C@@H](CNc1c([N+](=O)[O-])cccc1[N+](=O)[O-])c1cccs1 ZINC000804325495 1317219437 /nfs/dbraw/zinc/21/94/37/1317219437.db2.gz WAXWCSFFIHDIEC-LBPRGKRZSA-N 1 0 336.373 3.279 20 5 EGBDRO C[NH+](C)CCc1ccc(CNc2c([N+](=O)[O-])cccc2[N+](=O)[O-])cc1 ZINC000804644400 1317268842 /nfs/dbraw/zinc/26/88/42/1317268842.db2.gz HZDQQTXWZNCPGT-UHFFFAOYSA-N 1 0 344.371 3.219 20 5 EGBDRO C[C@@H]1C[C@@H](c2cccnc2)[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000805750506 1317417214 /nfs/dbraw/zinc/41/72/14/1317417214.db2.gz NLGVRAXAFPYQBT-BVGQSLNGSA-N 1 0 327.384 3.106 20 5 EGBDRO CC(C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)=C1CCCC1 ZINC001020064317 1317528548 /nfs/dbraw/zinc/52/85/48/1317528548.db2.gz NEJLTCKTJZUGNQ-QAQDUYKDSA-N 1 0 343.427 3.222 20 5 EGBDRO CC(=O)c1ccc([N+](=O)[O-])cc1NC1CC[NH+](CCOC(C)C)CC1 ZINC000807987559 1317607173 /nfs/dbraw/zinc/60/71/73/1317607173.db2.gz FIUYTUQQFUQREN-UHFFFAOYSA-N 1 0 349.431 3.099 20 5 EGBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C1(NC(=O)OC(C)(C)C)CC1 ZINC000903090531 1317650092 /nfs/dbraw/zinc/65/00/92/1317650092.db2.gz COUJWWQQTGOGLZ-CYBMUJFWSA-N 1 0 349.431 3.173 20 5 EGBDRO C[C@@H]([NH2+]Cc1cnn(CC2CCC2)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000903239930 1317679552 /nfs/dbraw/zinc/67/95/52/1317679552.db2.gz NANNAOSNTNUXCG-GFCCVEGCSA-N 1 0 329.404 3.024 20 5 EGBDRO CC(C)(C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)C1CCC1 ZINC001020438795 1317697290 /nfs/dbraw/zinc/69/72/90/1317697290.db2.gz CITNIZLUSFXAMK-WKILWMFISA-N 1 0 345.443 3.158 20 5 EGBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000809914065 1317916654 /nfs/dbraw/zinc/91/66/54/1317916654.db2.gz ALSALIYVURSGAU-NSHDSACASA-N 1 0 340.811 3.244 20 5 EGBDRO C[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1Cl)C(C)(C)C[NH+](C)C ZINC000809913703 1317917206 /nfs/dbraw/zinc/91/72/06/1317917206.db2.gz SCMXNOQSSYCXFO-JTQLQIEISA-N 1 0 342.827 3.346 20 5 EGBDRO C[NH+](C)[C@H]1CCCN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000809940827 1317921521 /nfs/dbraw/zinc/92/15/21/1317921521.db2.gz RVGSQMDZDVEQDQ-LBPRGKRZSA-N 1 0 332.231 3.428 20 5 EGBDRO COc1ccccc1NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000905855065 1318007922 /nfs/dbraw/zinc/00/79/22/1318007922.db2.gz ZYYAHQQABAQURZ-OLZOCXBDSA-N 1 0 343.383 3.281 20 5 EGBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1CN[C@H]1CC[N@H+](CC2CC2)C1 ZINC000811479746 1318181779 /nfs/dbraw/zinc/18/17/79/1318181779.db2.gz KKFZMHBDFRTGNA-ZDUSSCGKSA-N 1 0 344.242 3.476 20 5 EGBDRO C[NH+](C)CC1(NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCC1 ZINC000813241513 1318519747 /nfs/dbraw/zinc/51/97/47/1318519747.db2.gz GWISMZOFFGSGTA-UHFFFAOYSA-N 1 0 346.214 3.116 20 5 EGBDRO C[C@@H]1C[C@H](NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC[N@@H+]1C ZINC000813462293 1318569752 /nfs/dbraw/zinc/56/97/52/1318569752.db2.gz WUMLNYSDMGQOMH-PSASIEDQSA-N 1 0 346.214 3.114 20 5 EGBDRO Cc1ccsc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001021779732 1318677888 /nfs/dbraw/zinc/67/78/88/1318677888.db2.gz NEFULBVGLDTAJZ-OKILXGFUSA-N 1 0 345.424 3.015 20 5 EGBDRO C[NH2+]Cc1ccccc1NC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000911681877 1318758837 /nfs/dbraw/zinc/75/88/37/1318758837.db2.gz DLHDBRAZCLYGAU-JKSUJKDBSA-N 1 0 325.368 3.056 20 5 EGBDRO CC[NH+](CC)CCOC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000912578418 1318912006 /nfs/dbraw/zinc/91/20/06/1318912006.db2.gz VZVYTQSUJFWYIY-UHFFFAOYSA-N 1 0 349.431 3.084 20 5 EGBDRO CC(C)(CO)[C@H]([NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1)c1cccnc1 ZINC000816638007 1319198511 /nfs/dbraw/zinc/19/85/11/1319198511.db2.gz WWLUGFAHNYWWSB-MRXNPFEDSA-N 1 0 349.818 3.493 20 5 EGBDRO COc1ccc(CC[C@H](C)[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000818981194 1319601554 /nfs/dbraw/zinc/60/15/54/1319601554.db2.gz SAGIMNSILJMHEF-IFXJQAMLSA-N 1 0 344.411 3.248 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H](c2ccccc2)[C@@H]2CCCO2)cc1 ZINC000819002259 1319611506 /nfs/dbraw/zinc/61/15/06/1319611506.db2.gz UAFQDNLJTGKMCN-CEXWTWQISA-N 1 0 342.395 3.138 20 5 EGBDRO COc1cc(Cl)ccc1C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819038918 1319620853 /nfs/dbraw/zinc/62/08/53/1319620853.db2.gz MNYNFOJPUZTQCB-OAHLLOKOSA-N 1 0 336.775 3.080 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]Cc2ccccc2OCC2CC2)c1 ZINC000819093176 1319633531 /nfs/dbraw/zinc/63/35/31/1319633531.db2.gz KIDPJXXYTPXIDJ-GOSISDBHSA-N 1 0 342.395 3.207 20 5 EGBDRO CC[NH+](CC)CCC[C@H](C)NC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000930359723 1328841995 /nfs/dbraw/zinc/84/19/95/1328841995.db2.gz DVLCINGUQQYEJG-WBAXXEDZSA-N 1 0 347.459 3.325 20 5 EGBDRO COc1cccc(C(C)(C)C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000819185925 1319661773 /nfs/dbraw/zinc/66/17/73/1319661773.db2.gz SRERTZVRUQVNNM-GOSISDBHSA-N 1 0 344.411 3.204 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CC2(Cc3ccc(F)cc3)CC2)cc1 ZINC000819203328 1319666917 /nfs/dbraw/zinc/66/69/17/1319666917.db2.gz WCYFBWNVGQFJDI-SFHVURJKSA-N 1 0 344.386 3.380 20 5 EGBDRO CC1(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)Cc2ccccc2C1 ZINC000819203299 1319667149 /nfs/dbraw/zinc/66/71/49/1319667149.db2.gz VCHDDENXJWJJQF-GOSISDBHSA-N 1 0 326.396 3.023 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H]2CCCc3ccc(F)cc32)c1 ZINC000819277134 1319687199 /nfs/dbraw/zinc/68/71/99/1319687199.db2.gz AVBMRXDDGZGLAI-ROUUACIJSA-N 1 0 330.359 3.435 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CC[C@H]2CCc3ccccc32)c1 ZINC000819339207 1319702353 /nfs/dbraw/zinc/70/23/53/1319702353.db2.gz LTEHISJAHOHIDM-DNVCBOLYSA-N 1 0 326.396 3.338 20 5 EGBDRO C[C@H]1CCC[C@@H]([N@H+](C)Cn2cc(Br)c([N+](=O)[O-])n2)C1 ZINC000917615773 1319851878 /nfs/dbraw/zinc/85/18/78/1319851878.db2.gz UAESYPDRBXHANS-VHSXEESVSA-N 1 0 331.214 3.022 20 5 EGBDRO CC(C)(CCC(=O)Nc1cccc(C[NH+]2CCCCC2)c1)[N+](=O)[O-] ZINC000822482591 1320086936 /nfs/dbraw/zinc/08/69/36/1320086936.db2.gz CVCCZVCGKAQTEZ-UHFFFAOYSA-N 1 0 333.432 3.447 20 5 EGBDRO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C[C@](C)(O)c1ccccc1 ZINC000823590642 1320189425 /nfs/dbraw/zinc/18/94/25/1320189425.db2.gz GAONKOUUXOBQMJ-SFHVURJKSA-N 1 0 341.367 3.076 20 5 EGBDRO Cc1cc(Cl)c(C(=O)NC[C@@H](C)[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000825505481 1320343804 /nfs/dbraw/zinc/34/38/04/1320343804.db2.gz JGZVTBLFYBLPTM-GFCCVEGCSA-N 1 0 339.823 3.161 20 5 EGBDRO CCC[N@H+](CC)CCNC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000826589715 1320389674 /nfs/dbraw/zinc/38/96/74/1320389674.db2.gz JTAHYWSCBDXJCO-UHFFFAOYSA-N 1 0 327.812 3.018 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](C)C[NH+]2CCCC2)cc1Cl ZINC000836429925 1320487210 /nfs/dbraw/zinc/48/72/10/1320487210.db2.gz PLOUMPGHAULUSF-LLVKDONJSA-N 1 0 339.823 3.018 20 5 EGBDRO C[NH+](C)CCCC(C)(C)NC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000836600676 1320510644 /nfs/dbraw/zinc/51/06/44/1320510644.db2.gz YGHLKHDNJHVGET-UHFFFAOYSA-N 1 0 342.827 3.490 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)C[N@@H+](C)C(C)C)cc1Cl ZINC000836788917 1320534370 /nfs/dbraw/zinc/53/43/70/1320534370.db2.gz DOBGYVJQFFFXMP-LLVKDONJSA-N 1 0 327.812 3.015 20 5 EGBDRO C[C@H]([NH2+]C[C@@H](O)CCOCc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000930593996 1328908610 /nfs/dbraw/zinc/90/86/10/1328908610.db2.gz HNIWDIDTHFSZLT-KXBFYZLASA-N 1 0 344.411 3.213 20 5 EGBDRO O=C(OCc1ccc([N+](=O)[O-])c(F)c1)C1C[NH+](C2CCCCC2)C1 ZINC000838463509 1320781225 /nfs/dbraw/zinc/78/12/25/1320781225.db2.gz CZEZZOQOBCBFLP-UHFFFAOYSA-N 1 0 336.363 3.042 20 5 EGBDRO OC[C@H]1C[N@H+](Cc2c3ccccc3c(Cl)c3ccccc32)C[C@@H]1O ZINC000839169228 1320883856 /nfs/dbraw/zinc/88/38/56/1320883856.db2.gz GZKBXYCCVZHDKH-YJYMSZOUSA-N 1 0 341.838 3.431 20 5 EGBDRO CO[C@@H]1C[C@H]([N@H+](C)Cn2nc(C)c3cc([N+](=O)[O-])ccc32)C12CCC2 ZINC000840144427 1321038198 /nfs/dbraw/zinc/03/81/98/1321038198.db2.gz YYAJSIXDZUEEKN-DLBZAZTESA-N 1 0 344.415 3.100 20 5 EGBDRO CC(C)C[C@](C)(C[NH3+])NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000841010537 1321198999 /nfs/dbraw/zinc/19/89/99/1321198999.db2.gz FTQXLDYYTKUCBF-CQSZACIVSA-N 1 0 328.800 3.133 20 5 EGBDRO COC(=O)N1CCC[C@@H]([NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000841748356 1321306418 /nfs/dbraw/zinc/30/64/18/1321306418.db2.gz WXWVOBSVAFBRFU-PBHICJAKSA-N 1 0 347.415 3.183 20 5 EGBDRO C[NH2+]C[C@H](C)c1noc(-c2csc(-c3ccc([N+](=O)[O-])cc3)n2)n1 ZINC000842580689 1321403954 /nfs/dbraw/zinc/40/39/54/1321403954.db2.gz IADLDFRXLXULNE-VIFPVBQESA-N 1 0 345.384 3.091 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2cnn(C[N@@H+]3CC[C@H](c4cccnc4)C3)c2)cc1 ZINC000842627867 1321409000 /nfs/dbraw/zinc/40/90/00/1321409000.db2.gz LZWXXCCCWDDJBD-KRWDZBQOSA-N 1 0 349.394 3.300 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1-c1noc(C[C@H](C)[C@H]2CCC[NH2+]C2)n1 ZINC000843187662 1321484268 /nfs/dbraw/zinc/48/42/68/1321484268.db2.gz SGOARTPOAGCWHT-AAEUAGOBSA-N 1 0 330.388 3.131 20 5 EGBDRO Cc1cc(Cl)c(C(=O)N2[C@H](C)C[N@H+](C)[C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000844642575 1321629461 /nfs/dbraw/zinc/62/94/61/1321629461.db2.gz JTZVMYHNZDQMKZ-UTUOFQBUSA-N 1 0 339.823 3.110 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C(=O)N2[C@H](C)C[N@H+](C)[C@@H](C)[C@H]2C)cc1Cl ZINC000844645794 1321630111 /nfs/dbraw/zinc/63/01/11/1321630111.db2.gz ICYHKMBZMGJKHP-GRYCIOLGSA-N 1 0 339.823 3.110 20 5 EGBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000845544263 1321716900 /nfs/dbraw/zinc/71/69/00/1321716900.db2.gz IUYUCLWIKNFEEK-GHMZBOCLSA-N 1 0 327.787 3.450 20 5 EGBDRO C[N@@H+]1CCC[C@@]2(CCN(c3cc(Cl)c(F)cc3[N+](=O)[O-])C2)C1 ZINC000845553480 1321717544 /nfs/dbraw/zinc/71/75/44/1321717544.db2.gz VAOOPPJVIWQFIH-OAHLLOKOSA-N 1 0 327.787 3.309 20 5 EGBDRO COc1cc(C[NH2+]CCC[C@H]2CC2(Cl)Cl)c([N+](=O)[O-])cc1O ZINC000846102559 1321768036 /nfs/dbraw/zinc/76/80/36/1321768036.db2.gz NVBXPRRELBBWCU-JTQLQIEISA-N 1 0 349.214 3.373 20 5 EGBDRO O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)c1cc([N+](=O)[O-])ccc1F ZINC000847046616 1321836420 /nfs/dbraw/zinc/83/64/20/1321836420.db2.gz DZUJDOXIOUIIES-HNNXBMFYSA-N 1 0 349.406 3.261 20 5 EGBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)C1 ZINC000930862770 1328990094 /nfs/dbraw/zinc/99/00/94/1328990094.db2.gz LMNYFIHMTJNNMB-OAHLLOKOSA-N 1 0 348.447 3.407 20 5 EGBDRO C[C@H]1CSCC[N@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C1 ZINC000848485144 1321963599 /nfs/dbraw/zinc/96/35/99/1321963599.db2.gz KBPVYEBLOOTCKE-CYBMUJFWSA-N 1 0 332.429 3.101 20 5 EGBDRO C[C@@H]1CC[N@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)CCS1 ZINC000848485660 1321964234 /nfs/dbraw/zinc/96/42/34/1321964234.db2.gz SDTJCSKMPFWROB-CYBMUJFWSA-N 1 0 332.429 3.243 20 5 EGBDRO C[C@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)OC(C)(C)C ZINC000848566386 1321978098 /nfs/dbraw/zinc/97/80/98/1321978098.db2.gz WPUKJEKJOUYREQ-SNVBAGLBSA-N 1 0 328.796 3.316 20 5 EGBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000919721959 1322098874 /nfs/dbraw/zinc/09/88/74/1322098874.db2.gz HHXPYOUSQJIJTD-VNHYZAJKSA-N 1 0 348.403 3.345 20 5 EGBDRO C[C@H](N[C@H]1CC[N@@H+](C2CCCCC2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850537950 1322263297 /nfs/dbraw/zinc/26/32/97/1322263297.db2.gz BKVVQDSFEXVTQR-ZFWWWQNUSA-N 1 0 332.448 3.235 20 5 EGBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1C[C@@H]2CCCC[C@@H]21 ZINC000852220278 1323166837 /nfs/dbraw/zinc/16/68/37/1323166837.db2.gz LLBUEJBAMSNBQR-PGUXBMHVSA-N 1 0 337.807 3.450 20 5 EGBDRO C[N@@H+]1CCC[C@@H]2CN(c3ccc(C(F)F)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000853449610 1325094267 /nfs/dbraw/zinc/09/42/67/1325094267.db2.gz SVXKFUMCBWAYGT-OLZOCXBDSA-N 1 0 325.359 3.453 20 5 EGBDRO C[C@H]1CCC[C@H](C)[N@H+](Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)C1 ZINC000853497593 1325105182 /nfs/dbraw/zinc/10/51/82/1325105182.db2.gz CCZAUUOSGVSWNA-KBPBESRZSA-N 1 0 329.404 3.321 20 5 EGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCc1nc2c(s1)CCC2 ZINC000926928340 1327780655 /nfs/dbraw/zinc/78/06/55/1327780655.db2.gz CZVUJRUZNBAXHM-LLVKDONJSA-N 1 0 349.431 3.442 20 5 EGBDRO C[C@@H]([NH2+]C[C@H]1CCCN1CC(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000926927398 1327781019 /nfs/dbraw/zinc/78/10/19/1327781019.db2.gz VDDCDNFZXJHFNQ-BXUZGUMPSA-N 1 0 331.338 3.272 20 5 EGBDRO Cc1ccc(NC(=O)N2CCC([NH2+]C3CCC3)CC2)cc1[N+](=O)[O-] ZINC000929118858 1328510312 /nfs/dbraw/zinc/51/03/12/1328510312.db2.gz UXGJHWZPNXOWRG-UHFFFAOYSA-N 1 0 332.404 3.042 20 5 EGBDRO CCC(C)(C)[NH+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000862141790 1329461712 /nfs/dbraw/zinc/46/17/12/1329461712.db2.gz PCVCLQOSEQCKHL-UHFFFAOYSA-N 1 0 339.823 3.195 20 5 EGBDRO C[C@@H]([NH2+]CCOCC(F)(F)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000932177112 1329791167 /nfs/dbraw/zinc/79/11/67/1329791167.db2.gz IERQEUXRLPQBFH-SECBINFHSA-N 1 0 342.264 3.460 20 5 EGBDRO Cc1noc(CN2CCC[C@H](c3nc4c(s3)CCC4)C2)c1[N+](=O)[O-] ZINC000932187314 1329792373 /nfs/dbraw/zinc/79/23/73/1329792373.db2.gz COCDUBYQFXFYSF-NSHDSACASA-N 1 0 348.428 3.216 20 5 EGBDRO O=C(CC[NH2+][C@@H](c1ccccn1)C1CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000932381343 1329810462 /nfs/dbraw/zinc/81/04/62/1329810462.db2.gz NZIKLZQWHBOKCD-GOSISDBHSA-N 1 0 340.383 3.059 20 5 EGBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H](c2ccncc2)C2CC2)c2c(c1)COCO2 ZINC000934685508 1329999701 /nfs/dbraw/zinc/99/97/01/1329999701.db2.gz IBXJHJWKJGSONZ-QGZVFWFLSA-N 1 0 341.367 3.097 20 5 EGBDRO Cc1cccc([C@H](C)NC(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)c1C ZINC000867952541 1330232482 /nfs/dbraw/zinc/23/24/82/1330232482.db2.gz CHONZJCQSQGRON-IFXJQAMLSA-N 1 0 341.411 3.263 20 5 EGBDRO CCCC(=O)N1CC[C@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])C[C@H]2CC1 ZINC000946439491 1332826579 /nfs/dbraw/zinc/82/65/79/1332826579.db2.gz BQCHEWCBQATVST-IYBDPMFKSA-N 1 0 345.443 3.065 20 5 EGBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)CC1CCN(C(=O)CC2CC2)CC1 ZINC001029925082 1341121659 /nfs/dbraw/zinc/12/16/59/1341121659.db2.gz CIZPIGPZENGLAE-UHFFFAOYSA-N 1 0 345.443 3.065 20 5 EGBDRO Cc1cc(Br)c(O[C@@H]2CCC[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC001217993697 1373529415 /nfs/dbraw/zinc/52/94/15/1373529415.db2.gz SCDZFBMCNNQRMR-GXFFZTMASA-N 1 0 343.221 3.433 20 5 EGBDRO C[C@@H]1C[NH2+]CCC[C@@H]1Oc1cc([N+](=O)[O-])c(F)cc1Br ZINC001217985359 1373526400 /nfs/dbraw/zinc/52/64/00/1373526400.db2.gz IXUYXDILUXXHAZ-PELKAZGASA-N 1 0 347.184 3.263 20 5 EGBDRO CC(C)C(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1[N+](=O)[O-])CC2 ZINC001040612997 1345555911 /nfs/dbraw/zinc/55/59/11/1345555911.db2.gz NQDWAOHDXDUCGR-UHFFFAOYSA-N 1 0 345.443 3.065 20 5 EGBDRO CC1(NC(=O)C2CCCC2)CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001045343780 1346566608 /nfs/dbraw/zinc/56/66/08/1346566608.db2.gz CIWFEXYKOJSMCH-UHFFFAOYSA-N 1 0 345.443 3.256 20 5 EGBDRO Cc1cncc([N+](=O)[O-])c1NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC001323134548 1387299222 /nfs/dbraw/zinc/29/92/22/1387299222.db2.gz BDVICCQAERCWPE-CQSZACIVSA-N 1 0 334.807 3.088 20 5 EGBDRO O=[N+]([O-])c1ccc2oc(-c3nc([C@H]4C[NH+]5CCC4CC5)no3)cc2c1 ZINC001325469631 1387985306 /nfs/dbraw/zinc/98/53/06/1387985306.db2.gz LDIGKBWYOMXRSY-ZDUSSCGKSA-N 1 0 340.339 3.200 20 5 EGBDRO CC/C=C(\C)C(=O)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001199577040 1369239554 /nfs/dbraw/zinc/23/95/54/1369239554.db2.gz YVUGWJXYKGPOTR-LNKIKWGQSA-N 1 0 331.416 3.032 20 5 EGBDRO CC(C)(C)/C=C\C(=O)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001199846829 1369280119 /nfs/dbraw/zinc/28/01/19/1369280119.db2.gz GWGZOYVZHNEGLO-FLIBITNWSA-N 1 0 345.443 3.278 20 5 EGBDRO CCC(=CC(=O)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1)CC ZINC001200071295 1369311927 /nfs/dbraw/zinc/31/19/27/1369311927.db2.gz YNNLSPRRGWSPPL-UHFFFAOYSA-N 1 0 345.443 3.422 20 5 EGBDRO C[C@]1(c2nc(-c3cc4ccccc4c4ccccc34)no2)C[NH2+]C[C@@H]1O ZINC001204858111 1370592106 /nfs/dbraw/zinc/59/21/06/1370592106.db2.gz NRQJQSHBBRSYTF-RXVVDRJESA-N 1 0 345.402 3.265 20 5 EGBDRO Cc1c(-c2nnc(CC[NH+]3CCC(C)CC3)o2)cccc1[N+](=O)[O-] ZINC001117221871 1371023526 /nfs/dbraw/zinc/02/35/26/1371023526.db2.gz NHYXXZCCMNQOER-UHFFFAOYSA-N 1 0 330.388 3.228 20 5 EGBDRO C[N@@H+]1CCC[C@H](CNc2cc(N)c([N+](=O)[O-])cn2)[C@@H]1c1cccs1 ZINC001120902570 1371801122 /nfs/dbraw/zinc/80/11/22/1371801122.db2.gz UGHXOBQPAPMVJF-BDJLRTHQSA-N 1 0 347.444 3.129 20 5 EGBDRO C[NH+]1CCC(Oc2ccc(Nc3ccc(F)cc3[N+](=O)[O-])nc2)CC1 ZINC001210954999 1372460800 /nfs/dbraw/zinc/46/08/00/1372460800.db2.gz ANGCEACLODOEKB-UHFFFAOYSA-N 1 0 346.362 3.346 20 5 EGBDRO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2-c1cc[nH]c(=O)c1 ZINC001212278140 1372681769 /nfs/dbraw/zinc/68/17/69/1372681769.db2.gz MNUDWLZKVXOXJY-UHFFFAOYSA-N 1 0 346.390 3.345 20 5 EGBDRO C[NH+]1CCN(c2ccccc2Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC001216481932 1373310565 /nfs/dbraw/zinc/31/05/65/1373310565.db2.gz KYZNVICMEWSWDA-UHFFFAOYSA-N 1 0 330.363 3.229 20 5 EGBDRO O=c1c2ccccc2oc2cc(O[C@@H]3CCC[NH2+]C[C@H]3F)ccc12 ZINC001217946765 1373516245 /nfs/dbraw/zinc/51/62/45/1373516245.db2.gz GQHPYHRHNDDPPI-NVXWUHKLSA-N 1 0 327.355 3.415 20 5 EGBDRO O=[N+]([O-])c1cc(Br)cc(F)c1O[C@H]1CCCC[NH2+]C1 ZINC001217970027 1373521655 /nfs/dbraw/zinc/52/16/55/1373521655.db2.gz GYZDQFBRUOGXQO-VIFPVBQESA-N 1 0 333.157 3.017 20 5 EGBDRO C[C@H]1C[NH2+]CCC[C@H]1Oc1cc([N+](=O)[O-])c(Br)cc1F ZINC001217988834 1373528033 /nfs/dbraw/zinc/52/80/33/1373528033.db2.gz LOSORGUTYJHIHT-QPUJVOFHSA-N 1 0 347.184 3.263 20 5 EGBDRO C[C@H]1C[NH2+]CCC[C@@H]1Oc1c(F)cc(Br)cc1[N+](=O)[O-] ZINC001217991798 1373528623 /nfs/dbraw/zinc/52/86/23/1373528623.db2.gz XUYKUWKAAVTHQJ-UFBFGSQYSA-N 1 0 347.184 3.263 20 5 EGBDRO C[C@@H]1C[NH2+]CCC[C@@H]1Oc1cnc2ccc(=O)n3c4ccccc4c1c23 ZINC001217992400 1373528789 /nfs/dbraw/zinc/52/87/89/1373528789.db2.gz AVNICIVYMQNKTI-DYVFJYSZSA-N 1 0 347.418 3.206 20 5 EGBDRO Cc1cc(Br)cc([N+](=O)[O-])c1O[C@H]1CCC[NH2+]C[C@H]1C ZINC001217990628 1373528794 /nfs/dbraw/zinc/52/87/94/1373528794.db2.gz JDDOSUHYEQCSNZ-MFKMUULPSA-N 1 0 343.221 3.433 20 5 EGBDRO C[C@@H]1C[NH2+]CCC[C@H]1Oc1c(F)cc([N+](=O)[O-])cc1Br ZINC001217992597 1373529548 /nfs/dbraw/zinc/52/95/48/1373529548.db2.gz SFYJHEDTEDMQKY-PRHODGIISA-N 1 0 347.184 3.263 20 5 EGBDRO C[C@@H]1C[NH2+]CCC[C@H]1Oc1cccc(Br)c1[N+](=O)[O-] ZINC001217994388 1373529650 /nfs/dbraw/zinc/52/96/50/1373529650.db2.gz SGUFVTCCFDVDAB-MWLCHTKSSA-N 1 0 329.194 3.124 20 5 EGBDRO C[C@@H]1C[NH2+]CCC[C@@H]1Oc1c2ccccc2c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001217992588 1373529787 /nfs/dbraw/zinc/52/97/87/1373529787.db2.gz SCBHOXIHTNFKMU-BZNIZROVSA-N 1 0 345.355 3.423 20 5 EGBDRO Cc1cc(Br)c(O[C@@H]2CC[NH2+]CC[C@H]2F)cc1[N+](=O)[O-] ZINC001218021883 1373539695 /nfs/dbraw/zinc/53/96/95/1373539695.db2.gz YCYQSPAINPFFJC-ZYHUDNBSSA-N 1 0 347.184 3.135 20 5 EGBDRO C[C@H]1CC[NH2+]CC[C@@H]1Oc1cc(F)c(Br)cc1[N+](=O)[O-] ZINC001218026554 1373540992 /nfs/dbraw/zinc/54/09/92/1373540992.db2.gz IWBGTNBWPBLZRV-UFBFGSQYSA-N 1 0 347.184 3.263 20 5 EGBDRO Oc1cccc2cc3cccc(O)c3c(O[C@@H]3CC[NH2+]C[C@H]3F)c12 ZINC001218070117 1373553470 /nfs/dbraw/zinc/55/34/70/1373553470.db2.gz LOKYRDNWEVIQGF-CZUORRHYSA-N 1 0 327.355 3.483 20 5 EGBDRO O=[N+]([O-])c1ccc(Br)cc1O[C@H]1CCC[C@@]12CC[NH2+]C2 ZINC001218092058 1373558357 /nfs/dbraw/zinc/55/83/57/1373558357.db2.gz QKDDPCAHZZFJPB-KBPBESRZSA-N 1 0 341.205 3.268 20 5 EGBDRO O=[N+]([O-])c1ccc(O[C@@H]2CSC3(C[NH2+]C3)C2)c(Cl)c1Cl ZINC001218099498 1373560791 /nfs/dbraw/zinc/56/07/91/1373560791.db2.gz HUPMUKSQMPBGML-ZETCQYMHSA-N 1 0 335.212 3.128 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2ccc(O[C@H]3CC[C@@H]4[NH2+]CCO[C@@H]43)cc2)c1 ZINC001218118240 1373564434 /nfs/dbraw/zinc/56/44/34/1373564434.db2.gz DOJDDJUDAOHKDP-FHWLQOOXSA-N 1 0 340.379 3.160 20 5 EGBDRO Cc1cc(O[C@H]2CC[C@]23CC[NH2+]C3)c([N+](=O)[O-])cc1Br ZINC001218118667 1373564460 /nfs/dbraw/zinc/56/44/60/1373564460.db2.gz QEFQPWFFAQJYRF-UONOGXRCSA-N 1 0 341.205 3.187 20 5 EGBDRO Cc1cc(Br)cc([N+](=O)[O-])c1O[C@@H]1CC[C@@]12CC[NH2+]C2 ZINC001218121984 1373564890 /nfs/dbraw/zinc/56/48/90/1373564890.db2.gz YSNBOYUQUYVELS-OCCSQVGLSA-N 1 0 341.205 3.187 20 5 EGBDRO C[NH2+][C@H]1CC[C@H](Oc2c(Br)c(F)ccc2[N+](=O)[O-])CC1 ZINC001218189401 1373574690 /nfs/dbraw/zinc/57/46/90/1373574690.db2.gz DMEOLNHRXOXNQS-KYZUINATSA-N 1 0 347.184 3.406 20 5 EGBDRO C[C@H](Oc1cccc2c1CC[NH2+]C2)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001218212712 1373578889 /nfs/dbraw/zinc/57/88/89/1373578889.db2.gz DQWYCTXQWUKIHA-NSHDSACASA-N 1 0 342.351 3.109 20 5 EGBDRO CC1(C)C[NH2+]CC[C@H]1Oc1c(F)cc(Br)cc1[N+](=O)[O-] ZINC001218311644 1373592765 /nfs/dbraw/zinc/59/27/65/1373592765.db2.gz NMGFNJQTYOIIAD-LLVKDONJSA-N 1 0 347.184 3.263 20 5 EGBDRO CC1(C)C[NH2+]CC[C@H]1Oc1cnc2ccc(=O)n3c4ccccc4c1c23 ZINC001218317906 1373594434 /nfs/dbraw/zinc/59/44/34/1373594434.db2.gz RMDKIWZSTAZLHI-QGZVFWFLSA-N 1 0 347.418 3.206 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1ccc(OCCO[C@H]2CC[NH2+]C2)cc1 ZINC001218393388 1373605968 /nfs/dbraw/zinc/60/59/68/1373605968.db2.gz LYNRACKFKWGHOA-INIZCTEOSA-N 1 0 328.368 3.019 20 5 EGBDRO O=[N+]([O-])c1cc(Br)c(F)cc1O[C@H]1C[NH2+]CCC12CC2 ZINC001218399430 1373607484 /nfs/dbraw/zinc/60/74/84/1373607484.db2.gz NVPCDVVRXAUPBK-LBPRGKRZSA-N 1 0 345.168 3.017 20 5 EGBDRO CC1(C)C[C@@H](Oc2c(F)cc(Br)cc2[N+](=O)[O-])CC[NH2+]1 ZINC001218471731 1373620654 /nfs/dbraw/zinc/62/06/54/1373620654.db2.gz LLMXHOBPUJXPQL-VIFPVBQESA-N 1 0 347.184 3.406 20 5 EGBDRO CC1(C)C[C@@H](Oc2cc([N+](=O)[O-])c(F)cc2Br)CC[NH2+]1 ZINC001218475003 1373621496 /nfs/dbraw/zinc/62/14/96/1373621496.db2.gz JBSPGYVUFMKFDB-QMMMGPOBSA-N 1 0 347.184 3.406 20 5 EGBDRO O=C(N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12)c1c2ccccc2cc2ccccc21 ZINC001219850255 1373736432 /nfs/dbraw/zinc/73/64/32/1373736432.db2.gz PKFNZMKBISDPFM-IRFCIJBXSA-N 1 0 346.430 3.242 20 5 EGBDRO C[C@@H](c1ccccn1)[N@@H+]1CC[C@@H](OCc2ccccc2[N+](=O)[O-])C1 ZINC001222761373 1373873247 /nfs/dbraw/zinc/87/32/47/1373873247.db2.gz PAQQBNYSWGFIGR-GOEBONIOSA-N 1 0 327.384 3.342 20 5 EGBDRO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1Oc1cccnc1[N+](=O)[O-] ZINC001225628263 1375134588 /nfs/dbraw/zinc/13/45/88/1375134588.db2.gz GDZISIJOJZIDHK-RHSMWYFYSA-N 1 0 327.384 3.279 20 5 EGBDRO C[C@@H](C[N+](C)(C)C)Oc1cc(C(F)(F)F)c(Br)cn1 ZINC001226368421 1375248177 /nfs/dbraw/zinc/24/81/77/1375248177.db2.gz XEEGDQRPBYHEAT-QMMMGPOBSA-N 1 0 342.179 3.336 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(O[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC001226442496 1375259551 /nfs/dbraw/zinc/25/95/51/1375259551.db2.gz CJAPBOZKOTXEOL-INIZCTEOSA-N 1 0 328.368 3.257 20 5 EGBDRO O=[N+]([O-])c1ccc(O[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)cn1 ZINC001226712638 1375315379 /nfs/dbraw/zinc/31/53/79/1375315379.db2.gz PMAOYXPMIZQSQF-KBAYOESNSA-N 1 0 339.395 3.279 20 5 EGBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1nc(C(F)(F)F)ccc1[N+](=O)[O-])C2 ZINC001227244187 1375411194 /nfs/dbraw/zinc/41/11/94/1375411194.db2.gz WENRVTLBJSHHOV-MYJAWHEDSA-N 1 0 331.294 3.013 20 5 EGBDRO C[N@@H+]1CCC[C@@H](Oc2cc(F)c(Br)cc2[N+](=O)[O-])CC1 ZINC001227287590 1375416278 /nfs/dbraw/zinc/41/62/78/1375416278.db2.gz UDWBTUGYQOAMHB-SECBINFHSA-N 1 0 347.184 3.360 20 5 EGBDRO CCOC(=O)c1ccc(OC2CC[NH+](C(C)C)CC2)c([N+](=O)[O-])c1 ZINC001227297649 1375417643 /nfs/dbraw/zinc/41/76/43/1375417643.db2.gz WFZKQUWAUKJNRF-UHFFFAOYSA-N 1 0 336.388 3.023 20 5 EGBDRO CCC(C)(C)C(=O)NC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001228934698 1375720152 /nfs/dbraw/zinc/72/01/52/1375720152.db2.gz CRJGQBNPCDNAMP-UHFFFAOYSA-N 1 0 333.432 3.112 20 5 EGBDRO CC(C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ccc([N+](=O)[O-])c(Cl)n1)C2 ZINC001228933603 1375720343 /nfs/dbraw/zinc/72/03/43/1375720343.db2.gz IAMQINJKXGUUFO-GDNZZTSVSA-N 1 0 325.796 3.426 20 5 EGBDRO O=[N+]([O-])c1ccc2oc(O[C@@H]3CC[N@H+](Cc4ccccc4)C3)nc2c1 ZINC001229484857 1375843488 /nfs/dbraw/zinc/84/34/88/1375843488.db2.gz SOXPSYNBHQEYOG-OAHLLOKOSA-N 1 0 339.351 3.389 20 5 EGBDRO C[NH+]1CCC2(CC[C@@H](COc3ccc(Cl)c([N+](=O)[O-])c3)O2)CC1 ZINC001229962308 1375922896 /nfs/dbraw/zinc/92/28/96/1375922896.db2.gz UWTXUIIVIYWSGF-ZDUSSCGKSA-N 1 0 340.807 3.270 20 5 EGBDRO O=C1CC[C@]2(CCC[N@H+](Cc3ccc4ccc5cccnc5c4n3)C2)O1 ZINC001232225838 1376419876 /nfs/dbraw/zinc/41/98/76/1376419876.db2.gz QEBZPSIRZGYQLQ-NRFANRHFSA-N 1 0 347.418 3.455 20 5 EGBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cccc(-c2ccc(Cl)cc2)c1 ZINC001233919337 1376736592 /nfs/dbraw/zinc/73/65/92/1376736592.db2.gz NTYYEOXUISKLEJ-QGZVFWFLSA-N 1 0 348.850 3.370 20 5 EGBDRO CC(C)[C@H]1CC[C@H](C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001135734647 1377198135 /nfs/dbraw/zinc/19/81/35/1377198135.db2.gz XYOODUDSTXOKAL-QAQDUYKDSA-N 1 0 347.459 3.263 20 5 EGBDRO [NH3+]CCN(Cc1ccccc1N1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC001327421343 1388515184 /nfs/dbraw/zinc/51/51/84/1388515184.db2.gz XBKSVARPUMAESY-UHFFFAOYSA-N 1 0 340.427 3.160 20 5 EGBDRO NC(=O)c1cc(Nc2cccc(C[NH+]3CCCC3)c2)ccc1[N+](=O)[O-] ZINC001327605341 1388567252 /nfs/dbraw/zinc/56/72/52/1388567252.db2.gz YSQPINXPPMDSKX-UHFFFAOYSA-N 1 0 340.383 3.033 20 5 EGBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1cccc(C(F)F)c1 ZINC001148564109 1379212429 /nfs/dbraw/zinc/21/24/29/1379212429.db2.gz CDXBYFLEHHGCIZ-UHFFFAOYSA-N 1 0 349.337 3.052 20 5 EGBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)C1(C2CCCCC2)CC1 ZINC001149135167 1379330746 /nfs/dbraw/zinc/33/07/46/1379330746.db2.gz SEBQHIYTYGGBRU-UHFFFAOYSA-N 1 0 345.443 3.161 20 5 EGBDRO CC(C)(C)CC(C)(C)C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001151938147 1379819081 /nfs/dbraw/zinc/81/90/81/1379819081.db2.gz CLUUVZYRQUZLHY-UHFFFAOYSA-N 1 0 335.448 3.263 20 5 EGBDRO C[C@@H]1C[C@@H](CNc2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)nn2)C[NH2+]1 ZINC001155101768 1380409080 /nfs/dbraw/zinc/40/90/80/1380409080.db2.gz IWWJREIWCIOHMV-GHMZBOCLSA-N 1 0 347.806 3.115 20 5 EGBDRO O=[N+]([O-])c1cnc(NCc2cccnc2C2CC[NH2+]CC2)c(Cl)c1 ZINC001155995076 1380511766 /nfs/dbraw/zinc/51/17/66/1380511766.db2.gz RJCCJJYOXDLRFR-UHFFFAOYSA-N 1 0 347.806 3.117 20 5 EGBDRO C[N@@H+]1CCC[C@H](CCNC(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)C1 ZINC001156379957 1380567994 /nfs/dbraw/zinc/56/79/94/1380567994.db2.gz XQIXIQIVCNZZFC-SNVBAGLBSA-N 1 0 348.781 3.014 20 5 EGBDRO C[N@@H+]1CCC[C@H](CCNC(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)C1 ZINC001156381962 1380568418 /nfs/dbraw/zinc/56/84/18/1380568418.db2.gz YCUMZWKOLANTCR-SNVBAGLBSA-N 1 0 348.781 3.014 20 5 EGBDRO COc1nc(NC[C@H](c2ccccc2)[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC001156529234 1380588724 /nfs/dbraw/zinc/58/87/24/1380588724.db2.gz DZFGXVYEGVYPGJ-MRXNPFEDSA-N 1 0 342.399 3.247 20 5 EGBDRO CN(c1ccc2c(ccc(Cl)c2[N+](=O)[O-])n1)[C@@]1(C)CCC[NH2+]C1 ZINC001156968838 1380739049 /nfs/dbraw/zinc/73/90/49/1380739049.db2.gz YBLRUCOXSPIXRS-INIZCTEOSA-N 1 0 334.807 3.375 20 5 EGBDRO C[N@@H+]1CCC[C@@H]2CN(c3cc(Cl)nc4ccc([N+](=O)[O-])cc43)C[C@@H]21 ZINC001157272936 1380829278 /nfs/dbraw/zinc/82/92/78/1380829278.db2.gz SVIFJWFSIDGNNS-BZNIZROVSA-N 1 0 346.818 3.327 20 5 EGBDRO O=[N+]([O-])c1c(Cl)ccc2nc(-n3ccc4c3CC[NH2+]C4)ccc21 ZINC001157444726 1380898976 /nfs/dbraw/zinc/89/89/76/1380898976.db2.gz QHNNFMVURIULBR-UHFFFAOYSA-N 1 0 328.759 3.233 20 5 EGBDRO CCc1cc(-n2ccc3c2CC[NH2+]C3)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001157453915 1380907104 /nfs/dbraw/zinc/90/71/04/1380907104.db2.gz NRYAVACELPSHKH-UHFFFAOYSA-N 1 0 349.394 3.051 20 5 EGBDRO C[NH+](C)[C@H]1CCCC[C@@H]1NC(F)(F)c1cc([N+](=O)[O-])cnc1Cl ZINC001157796578 1381035943 /nfs/dbraw/zinc/03/59/43/1381035943.db2.gz FDYISCIZCJFTMY-RYUDHWBXSA-N 1 0 348.781 3.155 20 5 EGBDRO COc1cc(N2CCC[C@@H]([NH3+])c3cc(C)ccc32)ncc1[N+](=O)[O-] ZINC001158729668 1381372040 /nfs/dbraw/zinc/37/20/40/1381372040.db2.gz JGQYRVUXMGVFRJ-CYBMUJFWSA-N 1 0 328.372 3.239 20 5 EGBDRO C[NH+](C)CCC(C)(C)Nc1cc([N+](=O)[O-])cc2c(Cl)ncnc12 ZINC001158760329 1381386753 /nfs/dbraw/zinc/38/67/53/1381386753.db2.gz QFAJDKJWHDZPKD-UHFFFAOYSA-N 1 0 337.811 3.334 20 5 EGBDRO CCCC(=O)NCCC1=CC[N@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001159079955 1381561682 /nfs/dbraw/zinc/56/16/82/1381561682.db2.gz LEPLBUCGELAGPP-UHFFFAOYSA-N 1 0 331.416 3.033 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1Nc1cccnc1OC1CC[NH2+]CC1 ZINC001159242536 1381741494 /nfs/dbraw/zinc/74/14/94/1381741494.db2.gz STCZHFQWZVBJSL-UHFFFAOYSA-N 1 0 328.372 3.173 20 5 EGBDRO [NH3+][C@@H]1CCc2c3ccccc3n(-c3nccc(Cl)c3[N+](=O)[O-])c2C1 ZINC001159949014 1381946929 /nfs/dbraw/zinc/94/69/29/1381946929.db2.gz YFRBKAYYVZZFDX-SNVBAGLBSA-N 1 0 342.786 3.403 20 5 EGBDRO CC(C)(C(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC001160067629 1381987958 /nfs/dbraw/zinc/98/79/58/1381987958.db2.gz FRTMRCKWCKXBLA-UHFFFAOYSA-N 1 0 347.459 3.407 20 5 EGBDRO COc1ccc(Nc2ccc(O[C@@H]3CC[NH2+]C3)c(F)c2)c([N+](=O)[O-])c1 ZINC001160164948 1382022460 /nfs/dbraw/zinc/02/24/60/1382022460.db2.gz UNVVHEXJHZTHIK-CYBMUJFWSA-N 1 0 347.346 3.227 20 5 EGBDRO O=[N+]([O-])c1cnc(N[C@@H]2CC[NH2+]C[C@H]2C(F)(F)F)c2ccccc21 ZINC001160737795 1382182382 /nfs/dbraw/zinc/18/23/82/1382182382.db2.gz QQDWLXSTWKUVLH-VXGBXAGGSA-N 1 0 340.305 3.095 20 5 EGBDRO O=[N+]([O-])c1ccc2cnn(C[N@@H+]3CCC[C@H]([C@@H]4CCCCO4)C3)c2c1 ZINC001328553513 1388773460 /nfs/dbraw/zinc/77/34/60/1388773460.db2.gz PRJCYTPICOWKFE-YJBOKZPZSA-N 1 0 344.415 3.183 20 5 EGBDRO O=[N+]([O-])c1ccc2nc(N[C@H]3CC[N@H+](CC4CCCC4)C3)cnc2c1 ZINC001161180588 1382329046 /nfs/dbraw/zinc/32/90/46/1382329046.db2.gz IVUSNUDVHGWFMO-AWEZNQCLSA-N 1 0 341.415 3.214 20 5 EGBDRO O=[N+]([O-])c1ccc2ncc(N[C@H]3CC[N@H+](CC4CCCC4)C3)nc2c1 ZINC001161182065 1382329359 /nfs/dbraw/zinc/32/93/59/1382329359.db2.gz UYUHJALIHFYKMG-AWEZNQCLSA-N 1 0 341.415 3.214 20 5 EGBDRO [NH3+]Cc1cn(-c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cn1 ZINC001162304418 1382726619 /nfs/dbraw/zinc/72/66/19/1382726619.db2.gz QRMUQOAQCQMAQZ-UHFFFAOYSA-N 1 0 326.381 3.390 20 5 EGBDRO Cc1cc(N[C@H]2CCC[C@H]([NH3+])C2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001162393909 1382746601 /nfs/dbraw/zinc/74/66/01/1382746601.db2.gz NEAOGSDGASWTNP-KBPBESRZSA-N 1 0 327.388 3.042 20 5 EGBDRO COc1c(F)cc(-n2c3ccccc3nc2[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC001162765183 1382864403 /nfs/dbraw/zinc/86/44/03/1382864403.db2.gz DXJJPZRDMGRYAJ-SECBINFHSA-N 1 0 330.319 3.101 20 5 EGBDRO COc1c(F)cc(NCc2ccc3c(c2)CC[NH2+]C3)cc1[N+](=O)[O-] ZINC001162809664 1382879631 /nfs/dbraw/zinc/87/96/31/1382879631.db2.gz GQXZFFNRZGZDLD-UHFFFAOYSA-N 1 0 331.347 3.000 20 5 EGBDRO CC(C)(C)c1cnc(N2C[C@H]([NH3+])Cc3ccccc32)c([N+](=O)[O-])c1 ZINC001162845076 1382892880 /nfs/dbraw/zinc/89/28/80/1382892880.db2.gz RFXMNODIEUNIFH-CQSZACIVSA-N 1 0 326.400 3.309 20 5 EGBDRO O=[N+]([O-])c1ccc2nc(Cl)nc(NC3CC4(C3)CCC[NH2+]C4)c2c1 ZINC001162981893 1382936374 /nfs/dbraw/zinc/93/63/74/1382936374.db2.gz UMZYPIOMOMGNPA-UHFFFAOYSA-N 1 0 347.806 3.136 20 5 EGBDRO Cc1cc(Cl)c(NC[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)c([N+](=O)[O-])c1 ZINC001163290263 1383013218 /nfs/dbraw/zinc/01/32/18/1383013218.db2.gz YSRNYJCNRIPRSQ-WBMJQRKESA-N 1 0 339.823 3.127 20 5 EGBDRO O=[N+]([O-])c1cc(NC[C@H]2CO[C@]3(C2)CCC[NH2+]C3)cc2ccccc21 ZINC001163290246 1383013542 /nfs/dbraw/zinc/01/35/42/1383013542.db2.gz YKAHUWDFOHZFPO-LIRRHRJNSA-N 1 0 341.411 3.319 20 5 EGBDRO CC(C)[N@@H+]1CC[C@H](Nc2ncnc3cc([N+](=O)[O-])ccc32)[C@H](C)C1 ZINC001163362858 1383032227 /nfs/dbraw/zinc/03/22/27/1383032227.db2.gz OMVZFHVQDNQILP-DOMZBBRYSA-N 1 0 329.404 3.069 20 5 EGBDRO CC(C)(C(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC001163424918 1383049709 /nfs/dbraw/zinc/04/97/09/1383049709.db2.gz KQMZQYHFQZZAQQ-UHFFFAOYSA-N 1 0 333.432 3.017 20 5 EGBDRO C[C@]1(C[NH3+])CCCN(c2nc(Cl)c(Cl)cc2[N+](=O)[O-])CC1 ZINC001164242830 1383170391 /nfs/dbraw/zinc/17/03/91/1383170391.db2.gz RTCHOVFDNNICDR-ZDUSSCGKSA-N 1 0 333.219 3.252 20 5 EGBDRO [NH3+]CC1(F)CCN(c2cc3ccc(Cl)nc3cc2[N+](=O)[O-])CC1 ZINC001165263618 1383261371 /nfs/dbraw/zinc/26/13/71/1383261371.db2.gz GUGGDMDFWZAMCK-UHFFFAOYSA-N 1 0 338.770 3.064 20 5 EGBDRO O=[N+]([O-])c1ccc2c(ccnc2N2CCCCC23CC[NH2+]CC3)c1 ZINC001165340933 1383277781 /nfs/dbraw/zinc/27/77/81/1383277781.db2.gz YWBMOSSTUZOZAA-UHFFFAOYSA-N 1 0 326.400 3.256 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(NC[C@H](c2ccccc2)[NH+]2CCCC2)n1 ZINC001166864387 1383489451 /nfs/dbraw/zinc/48/94/51/1383489451.db2.gz AGLLYAUCMWNPPL-MRXNPFEDSA-N 1 0 342.399 3.247 20 5 EGBDRO O=[N+]([O-])c1cccc2ccc(N3CCC([C@H]4CCC[NH2+]4)CC3)nc21 ZINC001166902625 1383496923 /nfs/dbraw/zinc/49/69/23/1383496923.db2.gz HQKHEKPVFYGTMY-OAHLLOKOSA-N 1 0 326.400 3.111 20 5 EGBDRO COc1cc([N+](=O)[O-])c(N2C[C@H](CC[NH3+])c3ccccc32)cc1F ZINC001168549507 1383934655 /nfs/dbraw/zinc/93/46/55/1383934655.db2.gz OGAHKNARUABSNV-NSHDSACASA-N 1 0 331.347 3.327 20 5 EGBDRO O=C(c1ccccc1)c1ccc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001168968487 1384073437 /nfs/dbraw/zinc/07/34/37/1384073437.db2.gz ZKHFLJDZGQFZRS-APWZRJJASA-N 1 0 338.407 3.453 20 5 EGBDRO COc1ccc(OC(F)(F)F)cc1C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168970903 1384074363 /nfs/dbraw/zinc/07/43/63/1384074363.db2.gz JGQQENFWNUFPPU-CMPLNLGQSA-N 1 0 348.321 3.129 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C[C@H](O)c2c(Cl)cccc2Cl)C1 ZINC001168980410 1384077845 /nfs/dbraw/zinc/07/78/45/1384077845.db2.gz DJJMWIBSJDRZDV-BREBYQMCSA-N 1 0 333.215 3.062 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+][C@@H](Cc2ccccc2)c2nccs2)C1 ZINC001168980269 1384077785 /nfs/dbraw/zinc/07/77/85/1384077785.db2.gz CNBJKXYLUFHXDE-XHSDSOJGSA-N 1 0 331.441 3.462 20 5 EGBDRO [NH2+]=C(Cc1cccc(C(F)(F)F)c1)N[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168984933 1384079645 /nfs/dbraw/zinc/07/96/45/1384079645.db2.gz BKVGGDUJYHCQJL-AAEUAGOBSA-N 1 0 329.322 3.260 20 5 EGBDRO Cc1cc(Br)ccc1C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168984991 1384079720 /nfs/dbraw/zinc/07/97/20/1384079720.db2.gz RNNGDFZBQBEXOP-BXUZGUMPSA-N 1 0 327.222 3.293 20 5 EGBDRO O=C1CCCCCN1c1ccc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001168990838 1384080887 /nfs/dbraw/zinc/08/08/87/1384080887.db2.gz DUZIDSWKAKVSMO-DLBZAZTESA-N 1 0 345.443 3.129 20 5 EGBDRO CC1(C)CN(Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168998252 1384082680 /nfs/dbraw/zinc/08/26/80/1384082680.db2.gz KNPVVEUXIYVFMP-OTWHNJEPSA-N 1 0 345.487 3.322 20 5 EGBDRO CC(C)(C)OC(=O)Cc1cccc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001169007260 1384085983 /nfs/dbraw/zinc/08/59/83/1384085983.db2.gz MDDWFPZCUVEDAJ-DLBZAZTESA-N 1 0 348.443 3.106 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCC[C@]3(C[C@H](c4ccccc4)CO3)C2)C1 ZINC001169021742 1384091843 /nfs/dbraw/zinc/09/18/43/1384091843.db2.gz PYQSOAAUKZYVBH-GTAWCEEGSA-N 1 0 344.455 3.471 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2CCCC3(CN(Cc4ccccc4)C3)C2)C1 ZINC001169042856 1384098981 /nfs/dbraw/zinc/09/89/81/1384098981.db2.gz GORYILDTSFQBKK-OALUTQOASA-N 1 0 343.471 3.030 20 5 EGBDRO CN(Cc1cccc(F)c1)C1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169046374 1384100268 /nfs/dbraw/zinc/10/02/68/1384100268.db2.gz LNHRGAQQGKTICD-APWZRJJASA-N 1 0 349.450 3.167 20 5 EGBDRO O=C(c1ccccc1F)C1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169057447 1384102049 /nfs/dbraw/zinc/10/20/49/1384102049.db2.gz VJPBUKBXAGSMDC-HIFRSBDPSA-N 1 0 334.391 3.166 20 5 EGBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@](O)(c3ccccc3)C2)cc1F ZINC001328958231 1388909299 /nfs/dbraw/zinc/90/92/99/1388909299.db2.gz XTCSYQCRYAPPKE-SFHVURJKSA-N 1 0 330.359 3.218 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+]Cc2cccnc2Cl)c([N+](=O)[O-])c1 ZINC001170311082 1384287916 /nfs/dbraw/zinc/28/79/16/1384287916.db2.gz ZCTYRXKNTSTPJT-NSHDSACASA-N 1 0 335.791 3.373 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+]C[C@H](O)C2CCCCC2)c([N+](=O)[O-])c1 ZINC001170313517 1384288733 /nfs/dbraw/zinc/28/87/33/1384288733.db2.gz NRYXVOSKUDKZAZ-ACJLOTCBSA-N 1 0 336.432 3.065 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+]Cc2ccc(OC)c(O)c2)c([N+](=O)[O-])c1 ZINC001170323698 1384290553 /nfs/dbraw/zinc/29/05/53/1384290553.db2.gz LNPOSDMPBNBIIB-LBPRGKRZSA-N 1 0 346.383 3.038 20 5 EGBDRO COCCC1CC[NH+]([C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC001170344599 1384296070 /nfs/dbraw/zinc/29/60/70/1384296070.db2.gz DACIIDDTVIXCIT-AWEZNQCLSA-N 1 0 336.432 3.283 20 5 EGBDRO CCOCC1CC[NH+]([C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC001170353432 1384299032 /nfs/dbraw/zinc/29/90/32/1384299032.db2.gz YEHOAAQDONFKIB-CQSZACIVSA-N 1 0 336.432 3.283 20 5 EGBDRO CC1CCN(CC[NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172896232 1384873798 /nfs/dbraw/zinc/87/37/98/1384873798.db2.gz NKZHSOXQBXAHQV-SFHVURJKSA-N 1 0 331.460 3.164 20 5 EGBDRO C[N@H+](CCc1ccccn1)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172907658 1384875369 /nfs/dbraw/zinc/87/53/69/1384875369.db2.gz HGQZBYAMIDTYIH-GOSISDBHSA-N 1 0 325.412 3.412 20 5 EGBDRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172908459 1384875593 /nfs/dbraw/zinc/87/55/93/1384875593.db2.gz MRKRZFMEZAWKFT-IXDOHACOSA-N 1 0 346.427 3.164 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CCCC[C@@](O)(CF)C1)CC2 ZINC001172909687 1384876131 /nfs/dbraw/zinc/87/61/31/1384876131.db2.gz UXDRVWJQSLQTHH-SJLPKXTDSA-N 1 0 336.407 3.029 20 5 EGBDRO CC(C)N1CC[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C[C@@H]1C ZINC001172913887 1384876615 /nfs/dbraw/zinc/87/66/15/1384876615.db2.gz VJVLYAVFGYYMKR-YJBOKZPZSA-N 1 0 331.460 3.257 20 5 EGBDRO COC(=O)[C@@H]1CCC[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)[C@H]1C ZINC001172914862 1384877583 /nfs/dbraw/zinc/87/75/83/1384877583.db2.gz KLEZBOIWSMSZGX-QANKJYHBSA-N 1 0 346.427 3.116 20 5 EGBDRO CC1CC([NH2+]C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C1 ZINC001173006407 1384897128 /nfs/dbraw/zinc/89/71/28/1384897128.db2.gz UMVUODADBTYNRY-UHFFFAOYSA-N 1 0 325.359 3.230 20 5 EGBDRO CC(C)C[N@H+](C)C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173014949 1384897820 /nfs/dbraw/zinc/89/78/20/1384897820.db2.gz XNYVLUCWTFGZEF-UHFFFAOYSA-N 1 0 327.375 3.430 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CCC2CCOCC2)c1F ZINC001173175143 1384931741 /nfs/dbraw/zinc/93/17/41/1384931741.db2.gz LAWDYSPHTHYKTR-LBPRGKRZSA-N 1 0 340.395 3.080 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH+]2CCC(C)(OC)CC2)c1F ZINC001173179832 1384932718 /nfs/dbraw/zinc/93/27/18/1384932718.db2.gz HIRNRAYPHHTAIZ-GFCCVEGCSA-N 1 0 340.395 3.174 20 5 EGBDRO CCO[C@@H]1CCC[N@@H+]([C@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C1 ZINC001173190758 1384933255 /nfs/dbraw/zinc/93/32/55/1384933255.db2.gz WTOSIGKMHAZCPL-CHWSQXEVSA-N 1 0 340.395 3.174 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CC2(C)CCOCC2)c1F ZINC001173190160 1384933559 /nfs/dbraw/zinc/93/35/59/1384933559.db2.gz UTBKSFLZBMCFHK-GFCCVEGCSA-N 1 0 340.395 3.080 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+]2CC[C@H](OC)C[C@H]2C)c1F ZINC001173192866 1384934171 /nfs/dbraw/zinc/93/41/71/1384934171.db2.gz LGMMJOWKTGGKND-AGIUHOORSA-N 1 0 340.395 3.173 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H](c1ccccc1)N(C)C ZINC001173214181 1384936858 /nfs/dbraw/zinc/93/68/58/1384936858.db2.gz MQNBQOGADXWWMG-KXBFYZLASA-N 1 0 327.428 3.418 20 5 EGBDRO COc1ccc(CC[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)cc1O ZINC001173214775 1384937133 /nfs/dbraw/zinc/93/71/33/1384937133.db2.gz PZJVCAYSQCZELF-CYBMUJFWSA-N 1 0 330.384 3.072 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC001173220427 1384938393 /nfs/dbraw/zinc/93/83/93/1384938393.db2.gz ADKWLXDQNPSQGH-IUODEOHRSA-N 1 0 346.349 3.305 20 5 EGBDRO COc1cc(C[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)cc(OC)c1O ZINC001173221622 1384938551 /nfs/dbraw/zinc/93/85/51/1384938551.db2.gz OCUGHXGRGYDWHH-LBPRGKRZSA-N 1 0 346.383 3.038 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1(c2ccc(F)cc2)COC1 ZINC001173222107 1384938658 /nfs/dbraw/zinc/93/86/58/1384938658.db2.gz UIBOGJHHVADNKQ-ZDUSSCGKSA-N 1 0 330.359 3.180 20 5 EGBDRO COc1cccc2c1OC[C@@H]2[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173223983 1384939089 /nfs/dbraw/zinc/93/90/89/1384939089.db2.gz CSPGRBHPVOUVDZ-LRDDRELGSA-N 1 0 328.368 3.258 20 5 EGBDRO Cc1nc([C@@H]2CCC[N@@H+]([C@H](C)Cc3ccc([N+](=O)[O-])cc3)C2)no1 ZINC001173223132 1384939208 /nfs/dbraw/zinc/93/92/08/1384939208.db2.gz YJMYWYAANNVIQY-IUODEOHRSA-N 1 0 330.388 3.097 20 5 EGBDRO COc1ccnc(C(C)(C)C[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001173226571 1384939482 /nfs/dbraw/zinc/93/94/82/1384939482.db2.gz XUXIZSVMNXACNO-AWEZNQCLSA-N 1 0 343.427 3.497 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1COc2ccccc2C1 ZINC001173226797 1384939644 /nfs/dbraw/zinc/93/96/44/1384939644.db2.gz ZZQDPPVOCWCAIP-GOEBONIOSA-N 1 0 326.396 3.367 20 5 EGBDRO Cc1ccnn1C1CC[NH+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173230741 1384940520 /nfs/dbraw/zinc/94/05/20/1384940520.db2.gz FEUSYPAFIPMQEC-OAHLLOKOSA-N 1 0 328.416 3.368 20 5 EGBDRO CCN(CC)C(=O)[C@H]1CCC[N@@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173230624 1384940925 /nfs/dbraw/zinc/94/09/25/1384940925.db2.gz ZEFUJJUHDKTAGE-WBVHZDCISA-N 1 0 347.459 3.106 20 5 EGBDRO COc1ccccc1C(=O)C[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173231630 1384940939 /nfs/dbraw/zinc/94/09/39/1384940939.db2.gz BKZRRYYFGKVNOZ-ZDUSSCGKSA-N 1 0 328.368 3.007 20 5 EGBDRO Cc1nnc(C2CC[NH+]([C@@H](C)Cc3ccc([N+](=O)[O-])cc3)CC2)o1 ZINC001173233551 1384941290 /nfs/dbraw/zinc/94/12/90/1384941290.db2.gz XFHOOCFIDRTLFZ-LBPRGKRZSA-N 1 0 330.388 3.097 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)C[C@@H]1Cc2ccccc2O1 ZINC001173238352 1384943133 /nfs/dbraw/zinc/94/31/33/1384943133.db2.gz QJDADOZEEBCUOS-KSSFIOAISA-N 1 0 326.396 3.461 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]([NH+]2CCCCC2)[C@@H](F)C1 ZINC001173238974 1384943211 /nfs/dbraw/zinc/94/32/11/1384943211.db2.gz YWTKNEICWFYSQY-ZYSHUDEJSA-N 1 0 349.450 3.424 20 5 EGBDRO Cc1cccc(C(=O)NCCC[NH2+]Cc2csc([N+](=O)[O-])c2)c1C ZINC001175065615 1385188719 /nfs/dbraw/zinc/18/87/19/1385188719.db2.gz XFELLLBVCFQVJJ-UHFFFAOYSA-N 1 0 347.440 3.183 20 5 EGBDRO Cc1ccc(C(=O)NCCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1C ZINC001175133796 1385199737 /nfs/dbraw/zinc/19/97/37/1385199737.db2.gz APNPWSRQTNOQNA-UHFFFAOYSA-N 1 0 341.411 3.121 20 5 EGBDRO O=C(CC(C1CC1)C1CC1)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001177042898 1385783020 /nfs/dbraw/zinc/78/30/20/1385783020.db2.gz XLCHJXJXIDWVJA-UHFFFAOYSA-N 1 0 345.443 3.017 20 5 EGBDRO CS[C@@H]1CC[C@H]([N@H+](C)Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C1 ZINC001318899440 1385874478 /nfs/dbraw/zinc/87/44/78/1385874478.db2.gz FDSIMGUFKVLYJJ-UONOGXRCSA-N 1 0 347.444 3.027 20 5 EGBDRO O=C(NCCCCCC[NH2+]Cc1ccccc1[N+](=O)[O-])C1CCC1 ZINC001177730908 1386029988 /nfs/dbraw/zinc/02/99/88/1386029988.db2.gz ZUHCJAPTUDIEEY-UHFFFAOYSA-N 1 0 333.432 3.161 20 5 EGBDRO O=C(C=C1CCC1)NCCCCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001178170327 1386148246 /nfs/dbraw/zinc/14/82/46/1386148246.db2.gz DQXVIQAIESWXAK-UHFFFAOYSA-N 1 0 345.443 3.471 20 5 EGBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC001320248017 1386562823 /nfs/dbraw/zinc/56/28/23/1386562823.db2.gz SMOABZQEWGJTFU-INIZCTEOSA-N 1 0 347.459 3.106 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)ccc1-c1nc([C@@H]2C[NH+]3CCC2CC3)no1 ZINC001320496329 1386627672 /nfs/dbraw/zinc/62/76/72/1386627672.db2.gz AGMDAQNQVQVMTO-GFCCVEGCSA-N 1 0 334.763 3.107 20 5 EGBDRO CS[C@@H]1CC[C@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001321687821 1386956668 /nfs/dbraw/zinc/95/66/68/1386956668.db2.gz DTNDFVALPHLRQU-WCQYABFASA-N 1 0 325.390 3.219 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCC(=O)N1CCC[C@@H](C)C1 ZINC001321722150 1386966533 /nfs/dbraw/zinc/96/65/33/1386966533.db2.gz OPBAZLGCLLJXFE-YLQKULKDSA-N 1 0 345.443 3.236 20 5 EGBDRO C[NH+](C)[C@H]1CCCC[C@@H]1Nc1ncc([N+](=O)[O-])cc1Br ZINC001322473442 1387192929 /nfs/dbraw/zinc/19/29/29/1387192929.db2.gz XSPQZSCJWQQBAH-RYUDHWBXSA-N 1 0 343.225 3.037 20 5 EGBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@@H]3CCCC[C@@H]3C2)c1 ZINC001329583003 1389166966 /nfs/dbraw/zinc/16/69/66/1389166966.db2.gz LJLFRSZAOVASQK-DZGCQCFKSA-N 1 0 332.400 3.394 20 5 EGBDRO O=[N+]([O-])c1c(N2CCC([NH2+]C3CC3)CC2)cccc1C(F)(F)F ZINC001333378633 1390292752 /nfs/dbraw/zinc/29/27/52/1390292752.db2.gz MMPYTDPGFPUAME-UHFFFAOYSA-N 1 0 329.322 3.334 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC001334129294 1390484346 /nfs/dbraw/zinc/48/43/46/1390484346.db2.gz OATRLXGBLXHPFS-GJZGRUSLSA-N 1 0 331.416 3.354 20 5 EGBDRO C[C@@H](NC(=O)[C@H](C)[C@H]([NH3+])c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC001342593166 1390630207 /nfs/dbraw/zinc/63/02/07/1390630207.db2.gz VFFVNXSADQBSTD-XNJGSVPQSA-N 1 0 327.384 3.108 20 5 EGBDRO C[NH+](C)C[C@@H]1CCCN(c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC001335264381 1390661619 /nfs/dbraw/zinc/66/16/19/1390661619.db2.gz MHLUYBRYAKOKML-NSHDSACASA-N 1 0 331.338 3.392 20 5 EGBDRO CC(C)(c1nc([C@@H]2C[NH+]3CCC2CC3)no1)c1ccccc1[N+](=O)[O-] ZINC001343769909 1390735907 /nfs/dbraw/zinc/73/59/07/1390735907.db2.gz JYWAGQHQDOCXSA-CYBMUJFWSA-N 1 0 342.399 3.113 20 5 EGBDRO CC[NH+](CC)CC[C@H](C)NC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC001347682042 1391110471 /nfs/dbraw/zinc/11/04/71/1391110471.db2.gz NVEMNQDHMCKAHR-ZDUSSCGKSA-N 1 0 336.436 3.454 20 5 EGBDRO O=[N+]([O-])c1ccc2ccc(N3CC4(C3)CC[N@H+](CC3CC3)C4)nc2c1 ZINC001164774217 721284702 /nfs/dbraw/zinc/28/47/02/721284702.db2.gz XWWMPYIUSTVFGY-UHFFFAOYSA-N 1 0 338.411 3.065 20 5 EGBDRO Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]CCc2ccccc2[N+](=O)[O-])C1 ZINC000368453461 168358259 /nfs/dbraw/zinc/35/82/59/168358259.db2.gz GHSXIIKJGRXODV-HZPDHXFCSA-N 1 0 328.416 3.187 20 5 EGBDRO C[C@H](C[S@@](C)=O)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000184265830 235350045 /nfs/dbraw/zinc/35/00/45/235350045.db2.gz KZNXCWXQGAXFHA-RKFFSXRUSA-N 1 0 338.454 3.180 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+]CC2CCC3(CC2)OCCO3)cc1[N+](=O)[O-] ZINC000190326698 238393544 /nfs/dbraw/zinc/39/35/44/238393544.db2.gz YVTAYXQYNNXNBZ-CQSZACIVSA-N 1 0 334.416 3.487 20 5 EGBDRO Cc1nn(C)c(N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000267524487 201223585 /nfs/dbraw/zinc/22/35/85/201223585.db2.gz RIDKKVARTNRCKS-CJNGLKHVSA-N 1 0 343.431 3.102 20 5 EGBDRO C[C@H]1[C@H](NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CCC[N@@H+]1C ZINC000343511855 291308978 /nfs/dbraw/zinc/30/89/78/291308978.db2.gz JDOHZWFPHDBAJV-SWLSCSKDSA-N 1 0 333.432 3.105 20 5 EGBDRO Cc1c(C(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000072017780 203158267 /nfs/dbraw/zinc/15/82/67/203158267.db2.gz WPRVLDMWUXUWTJ-ZIAGYGMSSA-N 1 0 347.459 3.390 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000130503321 205243763 /nfs/dbraw/zinc/24/37/63/205243763.db2.gz UNBAMJXZVSNLPK-CWLKWCNXSA-N 1 0 332.444 3.447 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000132597737 205333515 /nfs/dbraw/zinc/33/35/15/205333515.db2.gz DZDHLNDUPHOTKA-OAHLLOKOSA-N 1 0 349.431 3.168 20 5 EGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](O)Cc1ccccc1 ZINC000132204604 205317351 /nfs/dbraw/zinc/31/73/51/205317351.db2.gz WCXBDWVLUSVBFX-MAUKXSAKSA-N 1 0 328.412 3.109 20 5 EGBDRO C[C@](O)(C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)c1cccs1 ZINC000156881636 206105232 /nfs/dbraw/zinc/10/52/32/206105232.db2.gz YRNRNEQYIWAPDG-YJBOKZPZSA-N 1 0 346.452 3.475 20 5 EGBDRO CCC[C@](C)(O)C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000264939860 247065190 /nfs/dbraw/zinc/06/51/90/247065190.db2.gz FROGVLWLNCDUJE-INIZCTEOSA-N 1 0 335.429 3.359 20 5 EGBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CCC[C@H](C)C1 ZINC000264941989 247069593 /nfs/dbraw/zinc/06/95/93/247069593.db2.gz SBUDBRQMKUZFCE-NWDGAFQWSA-N 1 0 339.823 3.098 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C3CC3)CC2)cc1C(F)(F)F ZINC000161245985 206337931 /nfs/dbraw/zinc/33/79/31/206337931.db2.gz RJPKKZKLGHMDPX-UHFFFAOYSA-N 1 0 329.322 3.334 20 5 EGBDRO C[NH+](C)[C@H]1CCC[C@@H](Nc2ncc([N+](=O)[O-])cc2Br)C1 ZINC000267262730 250883468 /nfs/dbraw/zinc/88/34/68/250883468.db2.gz KTAUOTFHVCBEJA-ZJUUUORDSA-N 1 0 343.225 3.037 20 5 EGBDRO CC[NH+](CC)[C@H]1CCN(C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000176713126 207253102 /nfs/dbraw/zinc/25/31/02/207253102.db2.gz HALYTKMEDAQYTC-ZBFHGGJFSA-N 1 0 348.447 3.090 20 5 EGBDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000268791981 252243700 /nfs/dbraw/zinc/24/37/00/252243700.db2.gz XFFAZGBEUNSFFI-AWEZNQCLSA-N 1 0 349.431 3.305 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@@H](O)c1ccc(F)cc1)C1CC1 ZINC000124786406 285161944 /nfs/dbraw/zinc/16/19/44/285161944.db2.gz SXOHALAAEDKLLD-PKOBYXMFSA-N 1 0 344.386 3.378 20 5 EGBDRO CC(C)n1cnnc1[C@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000118860520 221198845 /nfs/dbraw/zinc/19/88/45/221198845.db2.gz LJWQXGVUHWAMLC-HNNXBMFYSA-N 1 0 329.404 3.147 20 5 EGBDRO Cc1ccc(NC(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000119665826 221370982 /nfs/dbraw/zinc/37/09/82/221370982.db2.gz CXYWERMXSOPRSW-OAHLLOKOSA-N 1 0 346.431 3.243 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCNC(=O)c1cccs1 ZINC000344916893 533409043 /nfs/dbraw/zinc/40/90/43/533409043.db2.gz VWTUMJZXTUVNHK-JLHYYAGUSA-N 1 0 345.424 3.079 20 5 EGBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000008118431 140759508 /nfs/dbraw/zinc/75/95/08/140759508.db2.gz UYYZQLDFRCVQQQ-STQMWFEESA-N 1 0 343.383 3.281 20 5 EGBDRO C[C@@H](CC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)C1CC[NH2+]CC1 ZINC000237423473 141001788 /nfs/dbraw/zinc/00/17/88/141001788.db2.gz BXRDJZMHFUNMPU-HNNXBMFYSA-N 1 0 347.459 3.060 20 5 EGBDRO CCN(CC)[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1ccco1 ZINC000350620035 141256101 /nfs/dbraw/zinc/25/61/01/141256101.db2.gz SSZNHKZYQHGAIF-INIZCTEOSA-N 1 0 335.379 3.500 20 5 EGBDRO C[C@H]1c2ccccc2CCN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000170956081 144000041 /nfs/dbraw/zinc/00/00/41/144000041.db2.gz ZJUOFCPSTLTITI-AWEZNQCLSA-N 1 0 339.395 3.177 20 5 EGBDRO CC(C)[C@@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)[NH+]1CCC(C)CC1 ZINC000172790560 144028807 /nfs/dbraw/zinc/02/88/07/144028807.db2.gz XMJQYHLTYCSNRI-GOSISDBHSA-N 1 0 347.459 3.010 20 5 EGBDRO CCS[C@@H]1CC[C@H]([N@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000173869955 144050130 /nfs/dbraw/zinc/05/01/30/144050130.db2.gz DFWLNVCGPPEYQZ-QWHCGFSZSA-N 1 0 337.445 3.139 20 5 EGBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(Cl)cc1Cl ZINC000174809493 144052563 /nfs/dbraw/zinc/05/25/63/144052563.db2.gz HJFLHXDEIXUUDY-VIFPVBQESA-N 1 0 329.187 3.449 20 5 EGBDRO C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1cc(Cl)ccc1Cl ZINC000186178742 144127064 /nfs/dbraw/zinc/12/70/64/144127064.db2.gz IYFVPBOMXBYTOX-SECBINFHSA-N 1 0 329.187 3.449 20 5 EGBDRO CCOC(=O)C[C@](C)([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)C(C)C ZINC000186691231 144141246 /nfs/dbraw/zinc/14/12/46/144141246.db2.gz GPYVHDBTNYPFMT-KRWDZBQOSA-N 1 0 338.404 3.061 20 5 EGBDRO CC1CC[NH+](Cc2ccc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)cc2)CC1 ZINC000343220159 144196278 /nfs/dbraw/zinc/19/62/78/144196278.db2.gz ZJOFOJOBAWSPOR-UHFFFAOYSA-N 1 0 342.399 3.407 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000344815493 144227614 /nfs/dbraw/zinc/22/76/14/144227614.db2.gz BPOFNLVTGWYNBA-ANYHLBQASA-N 1 0 347.459 3.087 20 5 EGBDRO CCN(CC[NH+]1CCCCCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000351204185 144258721 /nfs/dbraw/zinc/25/87/21/144258721.db2.gz PQFATAIHUYGXJL-UHFFFAOYSA-N 1 0 334.420 3.325 20 5 EGBDRO Cc1ccc2c(c1)C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C2 ZINC000361595105 144334214 /nfs/dbraw/zinc/33/42/14/144334214.db2.gz SJUHHKCUDCDFQZ-UHFFFAOYSA-N 1 0 325.368 3.248 20 5 EGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000364058952 144388473 /nfs/dbraw/zinc/38/84/73/144388473.db2.gz IUEOTYXEIIGEPT-LBPRGKRZSA-N 1 0 329.322 3.288 20 5 EGBDRO CC[C@H]1CCC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000117335424 152093875 /nfs/dbraw/zinc/09/38/75/152093875.db2.gz BLYFHHODPNOBNI-ZDUSSCGKSA-N 1 0 333.388 3.015 20 5 EGBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000152876952 152514856 /nfs/dbraw/zinc/51/48/56/152514856.db2.gz PLKRFISQDATAGY-NVXWUHKLSA-N 1 0 347.459 3.358 20 5 EGBDRO CCOC(=O)C1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000194767786 153357210 /nfs/dbraw/zinc/35/72/10/153357210.db2.gz RIIXOMVLGHQQAY-UHFFFAOYSA-N 1 0 326.780 3.023 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCC[C@@H]3CCCO)o2)c1 ZINC000304302721 154070192 /nfs/dbraw/zinc/07/01/92/154070192.db2.gz LWNXMDZDRHMXSB-OAHLLOKOSA-N 1 0 345.399 3.029 20 5 EGBDRO COc1ccccc1[C@@H]1CCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000305184952 154088992 /nfs/dbraw/zinc/08/89/92/154088992.db2.gz PCKLLQZYSAOOQG-ZWKOTPCHSA-N 1 0 342.395 3.474 20 5 EGBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000311013475 154144833 /nfs/dbraw/zinc/14/48/33/154144833.db2.gz AURFUHWOFIDRMP-INIZCTEOSA-N 1 0 343.431 3.196 20 5 EGBDRO O=c1ccccn1C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000337290672 154263665 /nfs/dbraw/zinc/26/36/65/154263665.db2.gz MGLMWQGQYYCJEP-IBGZPJMESA-N 1 0 349.390 3.288 20 5 EGBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@H]3CCCC[C@@H]3OC(F)F)nc2c1 ZINC000337377746 154319303 /nfs/dbraw/zinc/31/93/03/154319303.db2.gz BXOYGUIKGXAADG-AAEUAGOBSA-N 1 0 340.330 3.111 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCCC[C@H]1OC(F)F ZINC000337397011 154331328 /nfs/dbraw/zinc/33/13/28/154331328.db2.gz JCJXENKWXKPNMO-QWHCGFSZSA-N 1 0 330.331 3.243 20 5 EGBDRO COc1cc(C[NH2+][C@@H]2CCCC[C@H]2OC(F)F)ccc1[N+](=O)[O-] ZINC000337398618 154333280 /nfs/dbraw/zinc/33/32/80/154333280.db2.gz JOUHYZMMBSYMSC-DGCLKSJQSA-N 1 0 330.331 3.243 20 5 EGBDRO CCC[C@H]([NH2+][C@@H]1CC(=O)N2CCCC[C@@H]12)c1cccc([N+](=O)[O-])c1 ZINC000338009992 154602495 /nfs/dbraw/zinc/60/24/95/154602495.db2.gz HGMPLFGGQGJCII-BBWFWOEESA-N 1 0 331.416 3.179 20 5 EGBDRO C[NH+](C)CCN(Cc1cccc(F)c1)Cc1ccc([N+](=O)[O-])cc1F ZINC000349062730 156339955 /nfs/dbraw/zinc/33/99/55/156339955.db2.gz NUZJCSLYEKMXIH-UHFFFAOYSA-N 1 0 349.381 3.437 20 5 EGBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C1CCC(C(F)(F)F)CC1 ZINC000354409882 156508720 /nfs/dbraw/zinc/50/87/20/156508720.db2.gz LVKSVKWGFJWTHB-VOMCLLRMSA-N 1 0 334.342 3.138 20 5 EGBDRO Cc1ccc(NC(=O)NCC(C)(C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000358270161 156782945 /nfs/dbraw/zinc/78/29/45/156782945.db2.gz WIABEVGBUFGGSJ-UHFFFAOYSA-N 1 0 334.420 3.147 20 5 EGBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000339096945 286850978 /nfs/dbraw/zinc/85/09/78/286850978.db2.gz MFQHUJDYPRKYPU-MCIONIFRSA-N 1 0 334.420 3.083 20 5 EGBDRO C[C@@H]1C[C@H]1c1ccc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)o1 ZINC000093534469 162015021 /nfs/dbraw/zinc/01/50/21/162015021.db2.gz FFQLMUCBRQIKBC-DVOMOZLQSA-N 1 0 342.399 3.393 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCC(C)(C)C1 ZINC000112701760 162186058 /nfs/dbraw/zinc/18/60/58/162186058.db2.gz DFTUHAFNMFREGJ-UHFFFAOYSA-N 1 0 335.404 3.054 20 5 EGBDRO CCCC[N@H+](C)CC1CCN(C(=O)c2cccc(C)c2[N+](=O)[O-])CC1 ZINC000112918627 162198019 /nfs/dbraw/zinc/19/80/19/162198019.db2.gz HVCBTXMHMSRPMG-UHFFFAOYSA-N 1 0 347.459 3.487 20 5 EGBDRO COC(=O)CN(Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(C)C ZINC000125736969 162286638 /nfs/dbraw/zinc/28/66/38/162286638.db2.gz XPGAEJZKJROJHU-UHFFFAOYSA-N 1 0 332.356 3.238 20 5 EGBDRO CN(CC(=O)N1CCC[C@H]2CCCC[C@H]21)Cc1ccccc1[N+](=O)[O-] ZINC000248773202 163033993 /nfs/dbraw/zinc/03/39/93/163033993.db2.gz QVTUUOIKQJRSCH-NVXWUHKLSA-N 1 0 345.443 3.208 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(NCc2ccc(C[NH+](C)C)c(F)c2)c1 ZINC000338693775 163320042 /nfs/dbraw/zinc/32/00/42/163320042.db2.gz LLWSXZZBPKVEMV-UHFFFAOYSA-N 1 0 333.363 3.416 20 5 EGBDRO C[C@@](O)(C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(F)(F)F ZINC000340595482 163617356 /nfs/dbraw/zinc/61/73/56/163617356.db2.gz KWAIBPJNIQYTLC-CQSZACIVSA-N 1 0 344.289 3.258 20 5 EGBDRO C[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1ccc(F)c2ccccc21 ZINC000344061294 164093801 /nfs/dbraw/zinc/09/38/01/164093801.db2.gz MQUDEEJVYHQVOJ-LLVKDONJSA-N 1 0 328.347 3.471 20 5 EGBDRO COc1ccc(-c2ccc(C[NH2+][C@@H](C)[C@H]3CCOC3)o2)c([N+](=O)[O-])c1 ZINC000344597677 164196100 /nfs/dbraw/zinc/19/61/00/164196100.db2.gz CYPLYZQFIIISHW-STQMWFEESA-N 1 0 346.383 3.378 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1CN1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000344604691 164199128 /nfs/dbraw/zinc/19/91/28/164199128.db2.gz UBWCDQGHHIWPDU-MPGHIAIKSA-N 1 0 347.459 3.441 20 5 EGBDRO C[C@@H]1CCCC[C@H]1OCC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000345633637 164231246 /nfs/dbraw/zinc/23/12/46/164231246.db2.gz KPTVGKJURMWPMM-HLLBOEOZSA-N 1 0 348.447 3.071 20 5 EGBDRO C[C@@H](CCNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000347222636 164463178 /nfs/dbraw/zinc/46/31/78/164463178.db2.gz FDDOBQDMWWDBMV-LBPRGKRZSA-N 1 0 338.383 3.120 20 5 EGBDRO Cc1ccc(C[N@H+](C)C[C@H]2COc3ccccc3O2)cc1[N+](=O)[O-] ZINC000350086435 165001345 /nfs/dbraw/zinc/00/13/45/165001345.db2.gz SBGOPONBDGSKEO-HNNXBMFYSA-N 1 0 328.368 3.175 20 5 EGBDRO COc1cc(C[N@H+](C)CCCC(=O)OC(C)(C)C)ccc1[N+](=O)[O-] ZINC000351944750 165160381 /nfs/dbraw/zinc/16/03/81/165160381.db2.gz VWWLVMHUZJBFOE-UHFFFAOYSA-N 1 0 338.404 3.157 20 5 EGBDRO CC(=O)N1CCC[C@H](C[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000355411202 166189410 /nfs/dbraw/zinc/18/94/10/166189410.db2.gz IXIVFBDOMDRMEV-MRXNPFEDSA-N 1 0 333.432 3.066 20 5 EGBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)C[NH+](C)C ZINC000355708153 166286937 /nfs/dbraw/zinc/28/69/37/166286937.db2.gz YKLSTDRQVIEXMO-GFCCVEGCSA-N 1 0 339.461 3.023 20 5 EGBDRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000359548951 167188297 /nfs/dbraw/zinc/18/82/97/167188297.db2.gz VIBSCYKSLYXKFN-DOMZBBRYSA-N 1 0 331.372 3.047 20 5 EGBDRO O=C1CC[C@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)c2cc(F)ccc2N1 ZINC000360612854 167369187 /nfs/dbraw/zinc/36/91/87/167369187.db2.gz KOWITMORESDJRN-INIZCTEOSA-N 1 0 343.358 3.340 20 5 EGBDRO CC(C)O[C@@H]1C[C@@H]([NH2+][C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000361553080 167625697 /nfs/dbraw/zinc/62/56/97/167625697.db2.gz WHOADCGWTIXTCD-APHBMKBZSA-N 1 0 349.431 3.104 20 5 EGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000367463949 168229356 /nfs/dbraw/zinc/22/93/56/168229356.db2.gz PFDKJMUNHNUNGB-KGLIPLIRSA-N 1 0 349.387 3.142 20 5 EGBDRO C[C@@H]1CCC[C@@H]([NH2+]CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)[C@@H]1C ZINC000162938300 225896730 /nfs/dbraw/zinc/89/67/30/225896730.db2.gz WSHAEHDXTJKSQJ-UMVBOHGHSA-N 1 0 347.415 3.307 20 5 EGBDRO CC[NH2+]Cc1cccc(NC(=O)c2ccc(OCC)c([N+](=O)[O-])c2)c1 ZINC000123388952 222268588 /nfs/dbraw/zinc/26/85/88/222268588.db2.gz DSPNVXWASXMTPG-UHFFFAOYSA-N 1 0 343.383 3.355 20 5 EGBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000175620112 265126350 /nfs/dbraw/zinc/12/63/50/265126350.db2.gz WYIIYDYLEYFJJF-GOEBONIOSA-N 1 0 348.447 3.002 20 5 EGBDRO CCC[N@H+](C)[C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000178615987 265329536 /nfs/dbraw/zinc/32/95/36/265329536.db2.gz JCKWPIRXAVDLKH-NSHDSACASA-N 1 0 348.428 3.387 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCCOC[C@@H]1CCOC1)CCC2 ZINC000192889341 265995280 /nfs/dbraw/zinc/99/52/80/265995280.db2.gz DLPTXWGQDYBTNE-KBXCAEBGSA-N 1 0 334.416 3.005 20 5 EGBDRO C[C@@H](N[C@@H](C)c1ccccn1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000194712161 266139725 /nfs/dbraw/zinc/13/97/25/266139725.db2.gz HMIKYCQYUQPCRJ-WDEREUQCSA-N 1 0 348.790 3.321 20 5 EGBDRO Cc1nc(C)c([C@H](C)[N@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)s1 ZINC000269629447 266330126 /nfs/dbraw/zinc/33/01/26/266330126.db2.gz DZLPFPINDCLGKV-NHYWBVRUSA-N 1 0 335.429 3.395 20 5 EGBDRO COc1ccc(F)cc1[C@@H](C)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000271641520 266699043 /nfs/dbraw/zinc/69/90/43/266699043.db2.gz HACBFANUVBTYET-BDJLRTHQSA-N 1 0 334.347 3.127 20 5 EGBDRO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000272450074 266845280 /nfs/dbraw/zinc/84/52/80/266845280.db2.gz JKNMKBBWQCXNGZ-UONOGXRCSA-N 1 0 349.431 3.330 20 5 EGBDRO CC(C)(C)[NH+]1CCC(NC(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000273381747 267030062 /nfs/dbraw/zinc/03/00/62/267030062.db2.gz IIOUEMPJAKLLJE-UHFFFAOYSA-N 1 0 338.383 3.118 20 5 EGBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])[C@]12CCCO2 ZINC000273547309 267057263 /nfs/dbraw/zinc/05/72/63/267057263.db2.gz CECZSVOEHGQPOY-ARFHVFGLSA-N 1 0 340.807 3.064 20 5 EGBDRO C[C@H]1CCC[N@H+](Cc2ccc(CNc3ncc([N+](=O)[O-])cn3)cc2)C1 ZINC000273679644 267081585 /nfs/dbraw/zinc/08/15/85/267081585.db2.gz YYPBYNMOJVTMSB-AWEZNQCLSA-N 1 0 341.415 3.229 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000274294327 267213259 /nfs/dbraw/zinc/21/32/59/267213259.db2.gz RTRXDTYLLVKHEQ-OAHLLOKOSA-N 1 0 346.431 3.304 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000276855495 267639708 /nfs/dbraw/zinc/63/97/08/267639708.db2.gz VBQRKENSXKBLQH-UHFFFAOYSA-N 1 0 348.447 3.455 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@H]1COC3(CCCC3)O1)CCC2 ZINC000278377179 268000131 /nfs/dbraw/zinc/00/01/31/268000131.db2.gz CQLNEOSFTNOOCR-RDJZCZTQSA-N 1 0 332.400 3.248 20 5 EGBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(-n2cncn2)cc1 ZINC000123309029 274247657 /nfs/dbraw/zinc/24/76/57/274247657.db2.gz YVWJLUQLENYZEE-CQSZACIVSA-N 1 0 337.383 3.069 20 5 EGBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000068134350 274967737 /nfs/dbraw/zinc/96/77/37/274967737.db2.gz LSJALWSNEGWRQK-SXSDINLZSA-N 1 0 343.427 3.085 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@H](C)c1ccco1 ZINC000069070446 275150863 /nfs/dbraw/zinc/15/08/63/275150863.db2.gz BCXOWJSRQIIBFR-GFCCVEGCSA-N 1 0 347.371 3.218 20 5 EGBDRO C[C@H]1CN(CCC[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCCO1 ZINC000278379272 275255771 /nfs/dbraw/zinc/25/57/71/275255771.db2.gz CXRCKPJZBHNEAY-KXBFYZLASA-N 1 0 347.459 3.063 20 5 EGBDRO COC[C@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CCCO1 ZINC000278614584 275259253 /nfs/dbraw/zinc/25/92/53/275259253.db2.gz JCPPNIWOURYYSS-WMZOPIPTSA-N 1 0 346.383 3.138 20 5 EGBDRO CC(C)(C)[C@H](CO)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000278785051 275274482 /nfs/dbraw/zinc/27/44/82/275274482.db2.gz VYBRCKJEYNOUOV-AWEZNQCLSA-N 1 0 335.429 3.215 20 5 EGBDRO CCC[C@@H]([NH2+]C[C@@H]1CCc2nccn2C1)c1cccc([N+](=O)[O-])c1 ZINC000278941326 275289684 /nfs/dbraw/zinc/28/96/84/275289684.db2.gz KDZMGACJKADKKL-WMLDXEAASA-N 1 0 328.416 3.485 20 5 EGBDRO CCn1nccc1C1CC[NH+](Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000279362530 275325499 /nfs/dbraw/zinc/32/54/99/275325499.db2.gz HGLPKRUOBPJWRT-UHFFFAOYSA-N 1 0 328.416 3.499 20 5 EGBDRO C[C@]1(O)CCC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000279581918 275341629 /nfs/dbraw/zinc/34/16/29/275341629.db2.gz BRECPKOFIBCTAX-KRWDZBQOSA-N 1 0 347.440 3.455 20 5 EGBDRO C[C@@H]1C[C@@H](NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC[N@@H+]1C ZINC000279616038 275344233 /nfs/dbraw/zinc/34/42/33/275344233.db2.gz XTVOJSBKMPCBPV-MFKMUULPSA-N 1 0 331.338 3.186 20 5 EGBDRO COc1ccc(C[NH2+][C@@H](C)[C@@H](OC)c2ccccc2)cc1[N+](=O)[O-] ZINC000279773633 275358391 /nfs/dbraw/zinc/35/83/91/275358391.db2.gz SPKSEWHQKGXIPI-SCLBCKFNSA-N 1 0 330.384 3.469 20 5 EGBDRO C[C@@H]([NH2+]C[C@H]1CCN(c2ccccc2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283995636 275766653 /nfs/dbraw/zinc/76/66/53/275766653.db2.gz HNRCYTFGIGVCMF-HUUCEWRRSA-N 1 0 340.427 3.354 20 5 EGBDRO C[NH+](C)[C@H](CNc1ncnc2sc([N+](=O)[O-])cc21)c1ccccc1 ZINC000286693683 276033884 /nfs/dbraw/zinc/03/38/84/276033884.db2.gz BSFSNOGDKRGWHD-CYBMUJFWSA-N 1 0 343.412 3.314 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000287160243 276090618 /nfs/dbraw/zinc/09/06/18/276090618.db2.gz MTZMKSYVQAHFPY-GDBMZVCRSA-N 1 0 346.431 3.302 20 5 EGBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c1 ZINC000288352437 276205182 /nfs/dbraw/zinc/20/51/82/276205182.db2.gz KIKFKHFQHUJYFF-QWHCGFSZSA-N 1 0 349.456 3.016 20 5 EGBDRO C[C@@H]1[C@@H](NC(=O)c2csc([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000288370970 276207172 /nfs/dbraw/zinc/20/71/72/276207172.db2.gz UVYLBHQALAEIRO-DOMZBBRYSA-N 1 0 345.424 3.049 20 5 EGBDRO Cc1c(NC(=O)CC[N@@H+]2CCCc3occc3C2)cccc1[N+](=O)[O-] ZINC000288763943 276250280 /nfs/dbraw/zinc/25/02/80/276250280.db2.gz JAYFAZHFVORCOH-UHFFFAOYSA-N 1 0 343.383 3.273 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCc2occc2C1 ZINC000288915517 276266941 /nfs/dbraw/zinc/26/69/41/276266941.db2.gz UPTMIFOFWQSMON-UHFFFAOYSA-N 1 0 343.383 3.273 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000289146163 276296634 /nfs/dbraw/zinc/29/66/34/276296634.db2.gz UVXSARJIZBFDEY-GOEBONIOSA-N 1 0 346.431 3.302 20 5 EGBDRO CC[NH+](CC)C[C@@H](C)NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000341693624 276331003 /nfs/dbraw/zinc/33/10/03/276331003.db2.gz GEQXVGUNSROVHO-LLVKDONJSA-N 1 0 335.429 3.270 20 5 EGBDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000289426954 276337363 /nfs/dbraw/zinc/33/73/63/276337363.db2.gz DGJOBIQLESSJHC-SNVBAGLBSA-N 1 0 328.800 3.098 20 5 EGBDRO CC(C)[C@@H]([NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])c1nncn1C ZINC000289569911 276359331 /nfs/dbraw/zinc/35/93/31/276359331.db2.gz SJWLQBOWMRDLCC-XJKSGUPXSA-N 1 0 331.420 3.031 20 5 EGBDRO Cc1nnc(CC[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)s1 ZINC000289659675 276373810 /nfs/dbraw/zinc/37/38/10/276373810.db2.gz GQQCZIWYZWDULY-CQSZACIVSA-N 1 0 332.429 3.309 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000289765102 276390439 /nfs/dbraw/zinc/39/04/39/276390439.db2.gz KUBRZRRDNYKYNF-PBHICJAKSA-N 1 0 346.431 3.105 20 5 EGBDRO CN(C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000042064436 276746536 /nfs/dbraw/zinc/74/65/36/276746536.db2.gz KVNLJCBNJAIFQL-UHFFFAOYSA-N 1 0 333.432 3.059 20 5 EGBDRO CC(C)c1ccc(C(=O)NCC[N@H+](C)C2CCCC2)cc1[N+](=O)[O-] ZINC000352430196 278030581 /nfs/dbraw/zinc/03/05/81/278030581.db2.gz IUISXHXJAQTRFD-UHFFFAOYSA-N 1 0 333.432 3.322 20 5 EGBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000351484480 278259395 /nfs/dbraw/zinc/25/93/95/278259395.db2.gz UMYXTDCLHMSKJK-STQMWFEESA-N 1 0 345.399 3.191 20 5 EGBDRO C[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1ccccc1 ZINC000303510642 278278079 /nfs/dbraw/zinc/27/80/79/278278079.db2.gz WWHKSZOVSPQWDO-AWEZNQCLSA-N 1 0 342.399 3.237 20 5 EGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@@H]2COc3ccccc32)n1 ZINC000343931901 280377426 /nfs/dbraw/zinc/37/74/26/280377426.db2.gz MYTBMXADOLKRAK-FVQBIDKESA-N 1 0 342.399 3.041 20 5 EGBDRO Cc1ccccc1O[C@@H]1CCCC[C@H]1[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000362029165 302108379 /nfs/dbraw/zinc/10/83/79/302108379.db2.gz RWZQJBXJBRWEGK-RHSMWYFYSA-N 1 0 344.415 3.117 20 5 EGBDRO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000066474632 307362474 /nfs/dbraw/zinc/36/24/74/307362474.db2.gz SJQSBJDJKMRTTN-DOTOQJQBSA-N 1 0 347.459 3.154 20 5 EGBDRO C[C@@H]([NH2+]Cc1ccccc1N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000066989855 307364360 /nfs/dbraw/zinc/36/43/60/307364360.db2.gz OHDDNZQSMGGOAI-OAHLLOKOSA-N 1 0 341.411 3.282 20 5 EGBDRO C[C@H](C(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])[NH+]1[C@H](C)CC[C@H]1C ZINC000413823413 309049116 /nfs/dbraw/zinc/04/91/16/309049116.db2.gz AANKHHICSADQPF-MGPQQGTHSA-N 1 0 333.432 3.207 20 5 EGBDRO Cc1ccc(CC[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000072665236 307381307 /nfs/dbraw/zinc/38/13/07/307381307.db2.gz AQQMOIKMVMYUJV-INIZCTEOSA-N 1 0 326.400 3.027 20 5 EGBDRO C[C@@H]([NH2+]CCc1cc(F)cc2c1OCOC2)c1ccc([N+](=O)[O-])cc1 ZINC000120748287 307510513 /nfs/dbraw/zinc/51/05/13/307510513.db2.gz DLCCKXSETSOCEZ-GFCCVEGCSA-N 1 0 346.358 3.494 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CCN(CC(F)(F)F)C1 ZINC000125806909 307559853 /nfs/dbraw/zinc/55/98/53/307559853.db2.gz FJRNVPALXRCWQX-NEPJUHHUSA-N 1 0 331.338 3.190 20 5 EGBDRO C[C@@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1cc2n(n1)CCC2 ZINC000414108541 309061396 /nfs/dbraw/zinc/06/13/96/309061396.db2.gz LYKJKIKFCXRXPB-LLVKDONJSA-N 1 0 334.807 3.284 20 5 EGBDRO CO[C@@H]([C@@H](C)[NH2+][C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CC1 ZINC000414194437 309066081 /nfs/dbraw/zinc/06/60/81/309066081.db2.gz VLRMMCRMXLFDEH-HFAKWTLXSA-N 1 0 346.387 3.109 20 5 EGBDRO CO[C@@](C)([C@@H](C)[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000414219639 309067150 /nfs/dbraw/zinc/06/71/50/309067150.db2.gz AZZNVHFYNGXTBR-VFVRVIDISA-N 1 0 349.431 3.105 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCN(c2ncccc2F)C1 ZINC000168172108 307932016 /nfs/dbraw/zinc/93/20/16/307932016.db2.gz BXWASHHXQGNYAY-KBPBESRZSA-N 1 0 344.390 3.367 20 5 EGBDRO CO[C@@]1(C)C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1(C)C ZINC000237158212 307944582 /nfs/dbraw/zinc/94/45/82/307944582.db2.gz POWJQWSZFVUCQD-CJNGLKHVSA-N 1 0 344.358 3.489 20 5 EGBDRO C[C@@H]([NH2+][C@@H](CN(C)C)c1ccc(F)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294381642 308216082 /nfs/dbraw/zinc/21/60/82/308216082.db2.gz RNDYPNRUBHFAHH-PXAZEXFGSA-N 1 0 346.406 3.270 20 5 EGBDRO CCC(=O)c1ccc(N2CC[N@@H+](C3CC3)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000294885662 308267732 /nfs/dbraw/zinc/26/77/32/308267732.db2.gz GKKCUFKMJKTEHE-ZDUSSCGKSA-N 1 0 331.416 3.108 20 5 EGBDRO Cc1nc(N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000294892147 308268454 /nfs/dbraw/zinc/26/84/54/308268454.db2.gz GILIDWJKFDWDED-CZUORRHYSA-N 1 0 341.415 3.016 20 5 EGBDRO COC(=O)[C@]1(C)CCC[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000414560801 309089484 /nfs/dbraw/zinc/08/94/84/309089484.db2.gz RDXMCURDVZZSQP-RXEWJAMOSA-N 1 0 332.400 3.273 20 5 EGBDRO CN(C)C(=O)C1([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCCCC1 ZINC000295040177 308284431 /nfs/dbraw/zinc/28/44/31/308284431.db2.gz OQZXGTLSERVOJE-UHFFFAOYSA-N 1 0 339.823 3.129 20 5 EGBDRO Cc1cccc(C(=O)N[C@@H](CC(C)C)C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000295308160 308312966 /nfs/dbraw/zinc/31/29/66/308312966.db2.gz BPMMBZGTVLTYPS-HNNXBMFYSA-N 1 0 333.432 3.144 20 5 EGBDRO Cc1cc(Cl)c(C(=O)NCC[N@@H+](C)C2CCCC2)cc1[N+](=O)[O-] ZINC000295397561 308322626 /nfs/dbraw/zinc/32/26/26/308322626.db2.gz ZAIKLGFXECHNEC-UHFFFAOYSA-N 1 0 339.823 3.161 20 5 EGBDRO C[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000296676933 308454901 /nfs/dbraw/zinc/45/49/01/308454901.db2.gz HSADZQDVFGWKFV-AJNGGQMLSA-N 1 0 333.432 3.423 20 5 EGBDRO CC(C)[NH+]1CCC(N(C)C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC000298165219 308589467 /nfs/dbraw/zinc/58/94/67/308589467.db2.gz VUMFAXRHVRCJEY-UHFFFAOYSA-N 1 0 344.415 3.021 20 5 EGBDRO CCC1([NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CCCC1 ZINC000298398723 308610520 /nfs/dbraw/zinc/61/05/20/308610520.db2.gz OPKGMRIDOKIVQD-UHFFFAOYSA-N 1 0 335.404 3.244 20 5 EGBDRO C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)CCC(=O)N2 ZINC000298566552 308625055 /nfs/dbraw/zinc/62/50/55/308625055.db2.gz MPXJEIRXKOWLEI-LBPRGKRZSA-N 1 0 325.368 3.330 20 5 EGBDRO CC(C)C[C@@H]1OCCC[C@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000299313787 308669600 /nfs/dbraw/zinc/66/96/00/308669600.db2.gz NNRXHONUYSQMIP-WBVHZDCISA-N 1 0 349.431 3.107 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CC[C@H]([NH+]3CCCC3)C2)cc1C(F)(F)F ZINC000301431367 308700074 /nfs/dbraw/zinc/70/00/74/308700074.db2.gz GRWXJKMYPMWJCZ-LBPRGKRZSA-N 1 0 329.322 3.288 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CC[C@H]([NH+]3CC=CC3)C2)cc1C(F)(F)F ZINC000301483570 308702074 /nfs/dbraw/zinc/70/20/74/308702074.db2.gz UQDZZAYIDBCVKS-LBPRGKRZSA-N 1 0 327.306 3.064 20 5 EGBDRO COc1cc(NCC[C@H](C)[NH+]2CCCCC2)c(F)cc1[N+](=O)[O-] ZINC000302152736 308731141 /nfs/dbraw/zinc/73/11/41/308731141.db2.gz MGLHGYILNOYHPK-LBPRGKRZSA-N 1 0 325.384 3.419 20 5 EGBDRO CCC[C@](C)(CO)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000304233246 308756099 /nfs/dbraw/zinc/75/60/99/308756099.db2.gz JHPLGQNIZMNELI-MRXNPFEDSA-N 1 0 335.429 3.359 20 5 EGBDRO Cc1ccc(C)c(OC[C@H](O)C[NH2+]Cc2cccc([N+](=O)[O-])c2C)c1 ZINC000327568195 308771565 /nfs/dbraw/zinc/77/15/65/308771565.db2.gz YYGAFPZJKPRQEX-QGZVFWFLSA-N 1 0 344.411 3.050 20 5 EGBDRO C[C@H](NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@H]1CCC[NH2+]C1 ZINC000414847639 309105353 /nfs/dbraw/zinc/10/53/53/309105353.db2.gz FWIIMTCMRPHSSV-ZFWWWQNUSA-N 1 0 329.400 3.333 20 5 EGBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H]2[C@H](C)CCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000331352732 308804788 /nfs/dbraw/zinc/80/47/88/308804788.db2.gz ORANCYXODLOIOC-PFHKOEEOSA-N 1 0 349.431 3.345 20 5 EGBDRO Cc1noc(C)c1[C@H](C)C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000331422043 308806465 /nfs/dbraw/zinc/80/64/65/308806465.db2.gz IGJPTGLIQXRPLB-DFBGVHRSSA-N 1 0 347.419 3.273 20 5 EGBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC([NH+]2CCCCC2)CC1 ZINC000332079059 308825689 /nfs/dbraw/zinc/82/56/89/308825689.db2.gz HXPXDUNIRNUXFU-UHFFFAOYSA-N 1 0 345.443 3.004 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000332290982 308833008 /nfs/dbraw/zinc/83/30/08/308833008.db2.gz JKOFKYIJXMWYHD-OAHLLOKOSA-N 1 0 346.431 3.208 20 5 EGBDRO O=C(CC[NH2+]C1(c2cccc(F)c2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411469535 308940410 /nfs/dbraw/zinc/94/04/10/308940410.db2.gz GWQWEGLELRRZMG-UHFFFAOYSA-N 1 0 343.358 3.341 20 5 EGBDRO O=[N+]([O-])c1ccn(C2CC[NH+]([C@H]3C[C@H]3c3cccc(F)c3)CC2)n1 ZINC000411655740 308947223 /nfs/dbraw/zinc/94/72/23/308947223.db2.gz MLLXIAUNLPCXDV-HOTGVXAUSA-N 1 0 330.363 3.123 20 5 EGBDRO CC(C)[NH+]1CCC(Nc2ncc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000413032490 309012642 /nfs/dbraw/zinc/01/26/42/309012642.db2.gz KHASYUXTDNJCFN-UHFFFAOYSA-N 1 0 332.326 3.293 20 5 EGBDRO O=[N+]([O-])c1cnc(N2CCC([NH+]3CCCC3)CC2)c(C(F)(F)F)c1 ZINC000413059901 309013887 /nfs/dbraw/zinc/01/38/87/309013887.db2.gz HZZKAWWBNKFUBB-UHFFFAOYSA-N 1 0 344.337 3.073 20 5 EGBDRO CCN(Cc1ccc(C[NH+](C)C)cc1)c1ncc([N+](=O)[O-])cc1F ZINC000413115139 309016824 /nfs/dbraw/zinc/01/68/24/309016824.db2.gz FPIALVGQJPKOQT-UHFFFAOYSA-N 1 0 332.379 3.217 20 5 EGBDRO O=[N+]([O-])c1cnc(N[C@H]2CC[N@@H+](C3CCCC3)C2)c(C(F)(F)F)c1 ZINC000413138059 309017855 /nfs/dbraw/zinc/01/78/55/309017855.db2.gz ZPKDYFLHDMCIPM-JTQLQIEISA-N 1 0 344.337 3.437 20 5 EGBDRO CCC[N@H+](C)C[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000413171024 309019437 /nfs/dbraw/zinc/01/94/37/309019437.db2.gz OLIJQMXHNUDXTL-NSHDSACASA-N 1 0 346.353 3.177 20 5 EGBDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ncc([N+](=O)[O-])cc1F ZINC000413180220 309019979 /nfs/dbraw/zinc/01/99/79/309019979.db2.gz YVFUQGXXNISVMC-OAHLLOKOSA-N 1 0 344.390 3.087 20 5 EGBDRO C[N@@H+]1CCC[C@@H](CCNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000413442290 309032261 /nfs/dbraw/zinc/03/22/61/309032261.db2.gz QIOHUIXVHYQTMD-JTQLQIEISA-N 1 0 332.326 3.152 20 5 EGBDRO [NH3+][C@H]1CCC[C@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000414928602 309109887 /nfs/dbraw/zinc/10/98/87/309109887.db2.gz QIKRQFUREOXYJB-STQMWFEESA-N 1 0 332.429 3.078 20 5 EGBDRO CC[C@@H]([NH3+])CNCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000414973450 309112409 /nfs/dbraw/zinc/11/24/09/309112409.db2.gz CCLYGVCABPIGPF-CQSZACIVSA-N 1 0 333.363 3.353 20 5 EGBDRO [NH3+]CC[C@@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C(F)F ZINC000414984175 309112780 /nfs/dbraw/zinc/11/27/80/309112780.db2.gz DGTHCGJDMXHWIL-CYBMUJFWSA-N 1 0 341.383 3.395 20 5 EGBDRO C[C@H]1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@@H]1C[NH3+] ZINC000415128457 309122426 /nfs/dbraw/zinc/12/24/26/309122426.db2.gz NYJWRSWRLIKHQU-JSGCOSHPSA-N 1 0 346.456 3.135 20 5 EGBDRO [NH3+][C@@H]1CCC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000415434333 309133373 /nfs/dbraw/zinc/13/33/73/309133373.db2.gz HPCYRJQHDIOGJX-BDAKNGLRSA-N 1 0 346.309 3.005 20 5 EGBDRO [NH3+]CC1(NC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CCCC1 ZINC000415436439 309133412 /nfs/dbraw/zinc/13/34/12/309133412.db2.gz JPFPOJUNOGEIHQ-UHFFFAOYSA-N 1 0 346.309 3.007 20 5 EGBDRO CCC([NH3+])(CC)CNC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000415440389 309133482 /nfs/dbraw/zinc/13/34/82/309133482.db2.gz OGIYZFCUPAMMQH-UHFFFAOYSA-N 1 0 348.325 3.253 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N(CC[NH3+])Cc1ccccc1 ZINC000415489776 309134998 /nfs/dbraw/zinc/13/49/98/309134998.db2.gz XOYJHRUEZANNIK-UHFFFAOYSA-N 1 0 342.399 3.204 20 5 EGBDRO COCC1(C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CCOCC1 ZINC000417324548 309201688 /nfs/dbraw/zinc/20/16/88/309201688.db2.gz AJWGXMBUXJOIEC-GOSISDBHSA-N 1 0 348.443 3.395 20 5 EGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@@H]2COCc3ccccc32)n1 ZINC000417359260 309202883 /nfs/dbraw/zinc/20/28/83/309202883.db2.gz IJPHBZVIKBBZCC-BRWVUGGUSA-N 1 0 342.399 3.136 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420251304 309278088 /nfs/dbraw/zinc/27/80/88/309278088.db2.gz LJAZADVWYRGAPK-CQSZACIVSA-N 1 0 330.215 3.482 20 5 EGBDRO [NH3+][C@H]1CCC[C@@H](CNc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000420291596 309279689 /nfs/dbraw/zinc/27/96/89/309279689.db2.gz VUIIQQNJFOUNBC-KOLCDFICSA-N 1 0 328.210 3.287 20 5 EGBDRO CC[C@@H]1C[N@@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@H](CC)O1 ZINC000420958570 309304466 /nfs/dbraw/zinc/30/44/66/309304466.db2.gz PJXKLNDMUUMUHA-GASCZTMLSA-N 1 0 349.431 3.121 20 5 EGBDRO Cc1cc(C[NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)cc(C)n1 ZINC000421393035 309322588 /nfs/dbraw/zinc/32/25/88/309322588.db2.gz YIYPENRMQDKBIR-LBPRGKRZSA-N 1 0 342.399 3.114 20 5 EGBDRO COC1([C@@H](C)[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CCOCC1 ZINC000421396469 309322716 /nfs/dbraw/zinc/32/27/16/309322716.db2.gz BSZTYYCYLDFRQG-CQSZACIVSA-N 1 0 336.432 3.392 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000421741103 309337898 /nfs/dbraw/zinc/33/78/98/309337898.db2.gz NLEVRNDHKVBRMR-UHFFFAOYSA-N 1 0 341.411 3.203 20 5 EGBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])c(C)cc2C)C[C@@H]1C ZINC000421777089 309339718 /nfs/dbraw/zinc/33/97/18/309339718.db2.gz XCGVPRHUVZFJDQ-LSDHHAIUSA-N 1 0 333.432 3.156 20 5 EGBDRO CCc1ccc([C@@H](NC2CC[NH2+]CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000423190956 309389892 /nfs/dbraw/zinc/38/98/92/309389892.db2.gz TVZDIDMTPTUCOJ-SFHVURJKSA-N 1 0 329.400 3.181 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](NCC[C@H]2CCC[NH2+]2)c2ccccc2)c1 ZINC000423365741 309397230 /nfs/dbraw/zinc/39/72/30/309397230.db2.gz POPQULUUHXLUNA-MJGOQNOKSA-N 1 0 325.412 3.416 20 5 EGBDRO CC(C)c1ccc(C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000423695951 309410052 /nfs/dbraw/zinc/41/00/52/309410052.db2.gz CDLQDDWHLLANEM-CVEARBPZSA-N 1 0 345.443 3.180 20 5 EGBDRO [NH3+]C1(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CCCCCC1 ZINC000428130870 309542813 /nfs/dbraw/zinc/54/28/13/309542813.db2.gz NSHYUJBPUSXORZ-UHFFFAOYSA-N 1 0 331.372 3.123 20 5 EGBDRO CCC(CC)(C[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)OC ZINC000430139413 309599008 /nfs/dbraw/zinc/59/90/08/309599008.db2.gz PSYORCDUJPPTHR-CYBMUJFWSA-N 1 0 337.420 3.107 20 5 EGBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000430737388 309616431 /nfs/dbraw/zinc/61/64/31/309616431.db2.gz WWQOIJBEWBYDBG-NEPJUHHUSA-N 1 0 341.358 3.337 20 5 EGBDRO Cc1cc(C(=O)NCC2CC[NH+](CCC(C)C)CC2)cc([N+](=O)[O-])c1 ZINC000430879562 309619847 /nfs/dbraw/zinc/61/98/47/309619847.db2.gz OWWFWWYWSSQMKG-UHFFFAOYSA-N 1 0 347.459 3.391 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2nc(CN(C3CC3)[C@@H]3CC[NH2+]C3)cs2)c1 ZINC000435385862 309730979 /nfs/dbraw/zinc/73/09/79/309730979.db2.gz RXKVUACRTMEKON-MRXNPFEDSA-N 1 0 344.440 3.045 20 5 EGBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1NC[C@]1([NH+](C)C)CCSC1 ZINC000444826941 309931671 /nfs/dbraw/zinc/93/16/71/309931671.db2.gz JBDWPWJOIDKTQY-CQSZACIVSA-N 1 0 329.853 3.406 20 5 EGBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)c1cccc(O)c1 ZINC000446891909 309970399 /nfs/dbraw/zinc/97/03/99/309970399.db2.gz FEJJGCUQHSYUCS-STQMWFEESA-N 1 0 343.383 3.368 20 5 EGBDRO CO[C@]1(C)C[C@H]([NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1(C)C ZINC000447534493 309981164 /nfs/dbraw/zinc/98/11/64/309981164.db2.gz XSAJFHNFMKUVHA-VWPFQQQWSA-N 1 0 336.436 3.068 20 5 EGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCOc2ccc(F)cc2)n1 ZINC000447539614 309981299 /nfs/dbraw/zinc/98/12/99/309981299.db2.gz HGSSQLZDLPJVMH-HZPDHXFCSA-N 1 0 348.378 3.083 20 5 EGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]Cc2ccc(F)cc2F)n1 ZINC000447539088 309981305 /nfs/dbraw/zinc/98/13/05/309981305.db2.gz FLQCVWNGCOXBGL-LSDHHAIUSA-N 1 0 336.342 3.343 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@H](CO)Cc1ccccc1)CCC2 ZINC000447542879 309981574 /nfs/dbraw/zinc/98/15/74/309981574.db2.gz QLMUOZWHLFXDBK-UZLBHIALSA-N 1 0 340.423 3.413 20 5 EGBDRO CN(C)c1ccccc1C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447587626 309983361 /nfs/dbraw/zinc/98/33/61/309983361.db2.gz ROBZQLYJFLHJRD-RDJZCZTQSA-N 1 0 343.431 3.131 20 5 EGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cn(C)nc1C(F)(F)F ZINC000449198310 310043952 /nfs/dbraw/zinc/04/39/52/310043952.db2.gz BBJZEVAAVIXTRK-JTQLQIEISA-N 1 0 342.321 3.068 20 5 EGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](c1ccccc1)N(C)C ZINC000449254229 310047817 /nfs/dbraw/zinc/04/78/17/310047817.db2.gz WUUPJXVSVIJITR-HNAYVOBHSA-N 1 0 327.428 3.418 20 5 EGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCO[C@@H]1c1ccncc1 ZINC000449263024 310048399 /nfs/dbraw/zinc/04/83/99/310048399.db2.gz JKIJAHDGVJRXMI-DKSSEZFCSA-N 1 0 341.411 3.431 20 5 EGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CCN(c2nccs2)CC1 ZINC000449304699 310051880 /nfs/dbraw/zinc/05/18/80/310051880.db2.gz PKYUJFPEVSNUIR-CYBMUJFWSA-N 1 0 346.456 3.241 20 5 EGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@](C)(CO)c1ccccc1 ZINC000449320717 310053232 /nfs/dbraw/zinc/05/32/32/310053232.db2.gz OYKOMTBZFGOCPP-DNVCBOLYSA-N 1 0 328.412 3.066 20 5 EGBDRO Cc1cccc2c1OC[C@H]([NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])C2 ZINC000449332150 310054153 /nfs/dbraw/zinc/05/41/53/310054153.db2.gz BVQDUJZRAIOILP-RHSMWYFYSA-N 1 0 326.396 3.428 20 5 EGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCO[C@H](c2ccncc2)C1 ZINC000449548396 310070545 /nfs/dbraw/zinc/07/05/45/310070545.db2.gz MZWAHODMODRQPN-BJZITVGISA-N 1 0 341.411 3.431 20 5 EGBDRO CC(C)(C)c1ccc(C(=O)N[C@@H]2CC[NH2+]CC2(C)C)cc1[N+](=O)[O-] ZINC000449695333 310081257 /nfs/dbraw/zinc/08/12/57/310081257.db2.gz IJVVQPYADYNULX-OAHLLOKOSA-N 1 0 333.432 3.010 20 5 EGBDRO Cc1cc(C)c(C[NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)cn1 ZINC000449732917 310083135 /nfs/dbraw/zinc/08/31/35/310083135.db2.gz FHZQRUPDDFAYET-CQSZACIVSA-N 1 0 342.399 3.114 20 5 EGBDRO Cc1cnc(N(C)C2CC[NH+](CCC(F)(F)F)CC2)c([N+](=O)[O-])c1 ZINC000450948116 310151547 /nfs/dbraw/zinc/15/15/47/310151547.db2.gz DJTXCEHRJOUCRI-UHFFFAOYSA-N 1 0 346.353 3.151 20 5 EGBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH2+][C@@H]1CCC12CCCC2 ZINC000451463599 310179623 /nfs/dbraw/zinc/17/96/23/310179623.db2.gz XQJBERJDUCTMEM-MRXNPFEDSA-N 1 0 345.399 3.205 20 5 EGBDRO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000451790744 310197422 /nfs/dbraw/zinc/19/74/22/310197422.db2.gz YVQFANGEYBYBLT-MFKMUULPSA-N 1 0 326.780 3.070 20 5 EGBDRO CC(C)(C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)c1ccccn1 ZINC000453298168 310269739 /nfs/dbraw/zinc/26/97/39/310269739.db2.gz WADFWZDRTJVGLM-LSDHHAIUSA-N 1 0 343.431 3.237 20 5 EGBDRO Cc1cccnc1CCC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000453310038 310270417 /nfs/dbraw/zinc/27/04/17/310270417.db2.gz QNVJJKLBSDSCBN-DLBZAZTESA-N 1 0 343.431 3.201 20 5 EGBDRO Cn1cc(Cl)c(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000453333073 310271580 /nfs/dbraw/zinc/27/15/80/310271580.db2.gz ZIPVXXVYLVEUPH-CQSZACIVSA-N 1 0 334.807 3.093 20 5 EGBDRO C[C@@H]1C[C@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c2nccn21 ZINC000453335982 310271701 /nfs/dbraw/zinc/27/17/01/310271701.db2.gz FEVCNOSZGIXPQE-WQVCFCJDSA-N 1 0 326.400 3.408 20 5 EGBDRO CC[C@H]([NH2+][C@H]1CCO[C@H](c2ccnn2C)C1)c1cccc([N+](=O)[O-])c1 ZINC000453353660 310272555 /nfs/dbraw/zinc/27/25/55/310272555.db2.gz QSKWTOJLTVZBPP-ZVZYQTTQSA-N 1 0 344.415 3.289 20 5 EGBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C1CC1)C1CCC1 ZINC000453412023 310275675 /nfs/dbraw/zinc/27/56/75/310275675.db2.gz HHTFSNCOECTNDV-KPZWWZAWSA-N 1 0 331.416 3.480 20 5 EGBDRO CCC(C)(C)OCC[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000453413377 310275693 /nfs/dbraw/zinc/27/56/93/310275693.db2.gz RVCYIYHRRXKCJP-ZDUSSCGKSA-N 1 0 337.420 3.107 20 5 EGBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCC1CC(F)(F)C1 ZINC000453413684 310275914 /nfs/dbraw/zinc/27/59/14/310275914.db2.gz IZNJBYVEPQHMEF-NSHDSACASA-N 1 0 341.358 3.337 20 5 EGBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CCOC(C)(C)C1 ZINC000453433442 310276933 /nfs/dbraw/zinc/27/69/33/310276933.db2.gz SNCMYFSMFIITMG-UONOGXRCSA-N 1 0 349.431 3.107 20 5 EGBDRO COc1ccc(C[NH2+][C@H](C(C)C)C2(CO)CCCC2)cc1[N+](=O)[O-] ZINC000453621148 310284998 /nfs/dbraw/zinc/28/49/98/310284998.db2.gz UABXWEHHIMPZIM-QGZVFWFLSA-N 1 0 336.432 3.270 20 5 EGBDRO Cc1ccc(C[C@H](CO)[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])cc1C ZINC000453627694 310285580 /nfs/dbraw/zinc/28/55/80/310285580.db2.gz MKZVTJQGHUBEQE-SUOMESGTSA-N 1 0 340.423 3.418 20 5 EGBDRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000456134482 310389980 /nfs/dbraw/zinc/38/99/80/310389980.db2.gz GRWHUFVQZINQBG-HLLBOEOZSA-N 1 0 345.443 3.174 20 5 EGBDRO CSc1ccc(C(=O)NC(C)(C)CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000456210186 310393532 /nfs/dbraw/zinc/39/35/32/310393532.db2.gz WKGQEBJMXWWBLU-UHFFFAOYSA-N 1 0 339.461 3.167 20 5 EGBDRO CCC[C@@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CCC1 ZINC000459809362 310576582 /nfs/dbraw/zinc/57/65/82/310576582.db2.gz SNGAMSFDRSEWIN-MRXNPFEDSA-N 1 0 331.416 3.042 20 5 EGBDRO CCC(CC)[C@@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)N1CCOCC1 ZINC000467832384 310678655 /nfs/dbraw/zinc/67/86/55/310678655.db2.gz QUKPVBJPTGVSEU-HNAYVOBHSA-N 1 0 349.475 3.382 20 5 EGBDRO COC(=O)c1ccc(Cl)c(C[NH2+]CCc2ccccc2[N+](=O)[O-])c1 ZINC000482249557 310929310 /nfs/dbraw/zinc/92/93/10/310929310.db2.gz YVQCAKGESNMDER-UHFFFAOYSA-N 1 0 348.786 3.367 20 5 EGBDRO C[C@H]([NH2+]CC1(N(C)C)Cc2ccccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000483724958 310956033 /nfs/dbraw/zinc/95/60/33/310956033.db2.gz CYEXTJLWXFOTTN-HNNXBMFYSA-N 1 0 339.439 3.345 20 5 EGBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(c2nc3ccccc3cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488751545 311078461 /nfs/dbraw/zinc/07/84/61/311078461.db2.gz PRHDGGBEGKGBBN-GRDNDAEWSA-N 1 0 340.427 3.310 20 5 EGBDRO Cc1ccc([C@@H](C)NC(=O)NCC2([NH+](C)C)CCCC2)cc1[N+](=O)[O-] ZINC000490005574 311129297 /nfs/dbraw/zinc/12/92/97/311129297.db2.gz KTFPQHHMUMGNOM-CQSZACIVSA-N 1 0 348.447 3.138 20 5 EGBDRO CCOc1cc(C[N@@H+]2CC[C@H](Oc3ccncc3)C2)ccc1[N+](=O)[O-] ZINC000492788992 311291266 /nfs/dbraw/zinc/29/12/66/311291266.db2.gz JYHDEACSTBKDIU-INIZCTEOSA-N 1 0 343.383 3.042 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)[C@H](OC)c1ccccc1 ZINC000493894437 311443551 /nfs/dbraw/zinc/44/35/51/311443551.db2.gz OAJYGSBJZYLIFW-UGSOOPFHSA-N 1 0 330.384 3.469 20 5 EGBDRO CCN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)CCC(F)(F)F ZINC000494847515 311517744 /nfs/dbraw/zinc/51/77/44/311517744.db2.gz JIZHTZIVLFZVNX-UHFFFAOYSA-N 1 0 325.356 3.020 20 5 EGBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)C[C@H]1OCCc2ccccc21 ZINC000507255571 312066008 /nfs/dbraw/zinc/06/60/08/312066008.db2.gz IIDYZVZGPJBPAK-LJQANCHMSA-N 1 0 342.395 3.219 20 5 EGBDRO COc1ccc(C[NH2+][C@H]2CCc3ccccc3OC2)cc1[N+](=O)[O-] ZINC000509444880 312117197 /nfs/dbraw/zinc/11/71/97/312117197.db2.gz WRKYLIYVVAIHEV-HNNXBMFYSA-N 1 0 328.368 3.087 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000510363859 312139341 /nfs/dbraw/zinc/13/93/41/312139341.db2.gz NHNLWJNAJOHDMX-UMVBOHGHSA-N 1 0 348.447 3.391 20 5 EGBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCc2ccccc2C1 ZINC000512318113 312182627 /nfs/dbraw/zinc/18/26/27/312182627.db2.gz KGKVXKXUXWIJOK-GOSISDBHSA-N 1 0 326.396 3.463 20 5 EGBDRO Cc1nn(C)c(Nc2ccc(CC[NH+]3CCCCC3)cc2)c1[N+](=O)[O-] ZINC000513619862 312213503 /nfs/dbraw/zinc/21/35/03/312213503.db2.gz PHDADQCADWHPJB-UHFFFAOYSA-N 1 0 343.431 3.409 20 5 EGBDRO Cc1ccc(NCc2ccccc2OCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000514226071 312228081 /nfs/dbraw/zinc/22/80/81/312228081.db2.gz QPQONWNJEWAQMV-UHFFFAOYSA-N 1 0 329.400 3.456 20 5 EGBDRO C[C@H](C(=O)NC[C@H](c1cccs1)[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000514770845 312244334 /nfs/dbraw/zinc/24/43/34/312244334.db2.gz RAMHVLYNTXWNHC-SWLSCSKDSA-N 1 0 347.440 3.179 20 5 EGBDRO C[C@H](C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000514834591 312247913 /nfs/dbraw/zinc/24/79/13/312247913.db2.gz JHLGNHANPIZMJS-GOEBONIOSA-N 1 0 333.432 3.031 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(N2CCOC[C@@H]2C)CC1 ZINC000514837217 312248085 /nfs/dbraw/zinc/24/80/85/312248085.db2.gz OAAAQAHFBNMFPQ-HOTGVXAUSA-N 1 0 347.459 3.149 20 5 EGBDRO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2ccnn2C2CCCC2)cc1 ZINC000515205241 312271361 /nfs/dbraw/zinc/27/13/61/312271361.db2.gz UHSCTIZNPUSMMP-UHFFFAOYSA-N 1 0 330.388 3.075 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(NCC2([NH+](C)C)Cc3ccccc3C2)c1 ZINC000525192891 312703515 /nfs/dbraw/zinc/70/35/15/312703515.db2.gz RKDOVLHXPZQLGG-UHFFFAOYSA-N 1 0 341.411 3.115 20 5 EGBDRO CC[C@@]1(C)COCC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000534851631 314002009 /nfs/dbraw/zinc/00/20/09/314002009.db2.gz ATCPNGGASAVQNQ-SFHVURJKSA-N 1 0 345.399 3.293 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[N@H+](Cc2ccccc2)[C@H](CO)C2CC2)cc1 ZINC000535091655 314026209 /nfs/dbraw/zinc/02/62/09/314026209.db2.gz IZNIQJLHMPOMAN-HXUWFJFHSA-N 1 0 340.423 3.410 20 5 EGBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H](CO)Cc2ccco2)cc1[N+](=O)[O-] ZINC000536625658 314132085 /nfs/dbraw/zinc/13/20/85/314132085.db2.gz LYHGPCDUGRRHPD-UONOGXRCSA-N 1 0 348.399 3.088 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@H](CO)Cc1ccc(F)cc1 ZINC000537273533 314171779 /nfs/dbraw/zinc/17/17/79/314171779.db2.gz NBGSXFRGFOEWTO-OICCZTGUSA-N 1 0 344.386 3.188 20 5 EGBDRO CC(C)[C@H]1C[C@@H]([NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000537935572 314217279 /nfs/dbraw/zinc/21/72/79/314217279.db2.gz WENZSIFEYHRPFB-UKPHBRMFSA-N 1 0 349.431 3.105 20 5 EGBDRO CC1CC[NH+](CCc2cccc(Nc3c([N+](=O)[O-])ncn3C)c2)CC1 ZINC000539874161 314347453 /nfs/dbraw/zinc/34/74/53/314347453.db2.gz PHLLCJLTTFGOQE-UHFFFAOYSA-N 1 0 343.431 3.346 20 5 EGBDRO Cc1cccc(C)c1[C@@H](C)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000544897127 314723150 /nfs/dbraw/zinc/72/31/50/314723150.db2.gz FBFKODGKVHQXNQ-NVXWUHKLSA-N 1 0 344.411 3.302 20 5 EGBDRO CCC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000548160541 314980030 /nfs/dbraw/zinc/98/00/30/314980030.db2.gz HDXKOHYWOWMOJX-OAGGEKHMSA-N 1 0 336.432 3.283 20 5 EGBDRO CC(C)C[NH+]1CCC(NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000550282884 315123369 /nfs/dbraw/zinc/12/33/69/315123369.db2.gz YSZHWXOMPFOOJT-UHFFFAOYSA-N 1 0 347.459 3.109 20 5 EGBDRO CC(C)(C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000550774765 315134509 /nfs/dbraw/zinc/13/45/09/315134509.db2.gz GCXNTQGHEICXPO-AWEZNQCLSA-N 1 0 345.443 3.006 20 5 EGBDRO CC[NH+]1CCC(CCNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000551445962 315155032 /nfs/dbraw/zinc/15/50/32/315155032.db2.gz YANDOZAMRVHNQI-UHFFFAOYSA-N 1 0 347.459 3.111 20 5 EGBDRO CCCN(CC[NH+]1CCCCC1)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000553484728 315266375 /nfs/dbraw/zinc/26/63/75/315266375.db2.gz XQCYTWIQWKXKDF-UHFFFAOYSA-N 1 0 347.459 3.252 20 5 EGBDRO Cc1cc(N2CCC[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000558903753 315609095 /nfs/dbraw/zinc/60/90/95/315609095.db2.gz OTVFOONAUWJKFC-LLVKDONJSA-N 1 0 331.338 3.452 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](c1ccccc1)C(C)(C)CO ZINC000562067099 315798474 /nfs/dbraw/zinc/79/84/74/315798474.db2.gz VREQDQUCDLKXMA-SFHVURJKSA-N 1 0 344.411 3.453 20 5 EGBDRO O=C(CC[NH2+]C[C@H]1CCC[C@H]1C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000564857881 316219996 /nfs/dbraw/zinc/21/99/96/316219996.db2.gz QMFXTMRLDGPGTM-CABCVRRESA-N 1 0 331.416 3.339 20 5 EGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1CCN(CC(F)(F)F)C1 ZINC000565430281 316323985 /nfs/dbraw/zinc/32/39/85/316323985.db2.gz DBHBTXOHELZEDE-FZMZJTMJSA-N 1 0 343.349 3.056 20 5 EGBDRO COc1cc(F)c(C[NH2+]CCc2cccc([N+](=O)[O-])c2)cc1OC ZINC000566335706 316458738 /nfs/dbraw/zinc/45/87/38/316458738.db2.gz CFVAYFIPAFBROX-UHFFFAOYSA-N 1 0 334.347 3.083 20 5 EGBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]C[C@@H](O)Cc2ccccc2)cc1 ZINC000567691225 316656698 /nfs/dbraw/zinc/65/66/98/316656698.db2.gz RZWFJTWACRDIOL-IBGZPJMESA-N 1 0 328.412 3.111 20 5 EGBDRO COc1ccc(-c2ccc(C[NH2+][C@H]3CO[C@H](C)C3)o2)c([N+](=O)[O-])c1 ZINC000567853713 316683610 /nfs/dbraw/zinc/68/36/10/316683610.db2.gz LHODDTISZIIFHF-VXGBXAGGSA-N 1 0 332.356 3.130 20 5 EGBDRO CCOC[C@H]1CCC[C@@H]1[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000568795781 316823977 /nfs/dbraw/zinc/82/39/77/316823977.db2.gz FQFOTSNTVCTMHO-PBHICJAKSA-N 1 0 331.416 3.413 20 5 EGBDRO Cc1ccc([C@@H](C)NC(=O)C[C@@H]([NH3+])Cc2ccccc2)cc1[N+](=O)[O-] ZINC000569109856 316867295 /nfs/dbraw/zinc/86/72/95/316867295.db2.gz RWUKSDBSBMTYTO-PBHICJAKSA-N 1 0 341.411 3.041 20 5 EGBDRO C[C@@H](C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000571106442 317151275 /nfs/dbraw/zinc/15/12/75/317151275.db2.gz PRHRGSCMCGMNAC-CVEARBPZSA-N 1 0 345.443 3.033 20 5 EGBDRO C[C@H](C(=O)NCCCCC[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000572511414 317349563 /nfs/dbraw/zinc/34/95/63/317349563.db2.gz BNXRSEHQBVVQJH-HNNXBMFYSA-N 1 0 333.432 3.081 20 5 EGBDRO CC1(C)C[C@@H]([NH2+]C[C@H](CO)Cc2ccco2)c2cc([N+](=O)[O-])ccc21 ZINC000572820195 317396439 /nfs/dbraw/zinc/39/64/39/317396439.db2.gz AJRWVBALEJWUBO-FZKQIMNGSA-N 1 0 344.411 3.351 20 5 EGBDRO CC[C@@H](CNc1ncc([N+](=O)[O-])cc1Br)[NH+]1CCCC1 ZINC000301510527 456134035 /nfs/dbraw/zinc/13/40/35/456134035.db2.gz CYQCEDYAMRJFLQ-JTQLQIEISA-N 1 0 343.225 3.039 20 5 EGBDRO C[NH+](C)[C@H]1CCC[C@@H](Nc2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000301695149 456189217 /nfs/dbraw/zinc/18/92/17/456189217.db2.gz PGPPAKGLWQIQFO-MNOVXSKESA-N 1 0 343.225 3.037 20 5 EGBDRO C[C@H]([NH2+]CCNC(=O)CC1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000173412904 323296036 /nfs/dbraw/zinc/29/60/36/323296036.db2.gz TUYLQQRUDMDAOS-AWEZNQCLSA-N 1 0 333.432 3.332 20 5 EGBDRO C[C@H]([NH2+][C@@H]1C[C@@H](C)N(c2ccccc2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000178659524 323359502 /nfs/dbraw/zinc/35/95/02/323359502.db2.gz HBLINGFAPCDROC-QWQRMKEZSA-N 1 0 339.395 3.439 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H](CO)c1ccc(F)cc1 ZINC000579928113 325177890 /nfs/dbraw/zinc/17/78/90/325177890.db2.gz KBJNHZIPDPFVQP-DZGCQCFKSA-N 1 0 332.375 3.469 20 5 EGBDRO CC[C@H]([NH2+]CCc1cccc(C(=O)NC)c1)c1cccc([N+](=O)[O-])c1 ZINC000157880691 455243947 /nfs/dbraw/zinc/24/39/47/455243947.db2.gz MFFGMFZDIFUKFS-SFHVURJKSA-N 1 0 341.411 3.238 20 5 EGBDRO COc1ccccc1[C@@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000158055159 455264238 /nfs/dbraw/zinc/26/42/38/455264238.db2.gz VHAVVCWIMVOSLO-OAHLLOKOSA-N 1 0 342.395 3.472 20 5 EGBDRO COc1cccc2c1OC[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C2 ZINC000173381389 455276395 /nfs/dbraw/zinc/27/63/95/455276395.db2.gz AVRIKTYIVHEZDL-WFASDCNBSA-N 1 0 328.368 3.258 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+]CCc2ccc(F)c(F)c2F)c(F)c1 ZINC000612199791 460565279 /nfs/dbraw/zinc/56/52/79/460565279.db2.gz WXMLPXPOKDCPMF-UHFFFAOYSA-N 1 0 328.265 3.484 20 5 EGBDRO C[C@@H](NC(=O)c1ccc(F)cc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181631514 455365509 /nfs/dbraw/zinc/36/55/09/455365509.db2.gz QERZNVDRTJYZNI-CHWSQXEVSA-N 1 0 349.406 3.117 20 5 EGBDRO Cc1ccc(C[N@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000026224401 453794856 /nfs/dbraw/zinc/79/48/56/453794856.db2.gz AUSKTTVVQOXDAI-UHFFFAOYSA-N 1 0 327.384 3.364 20 5 EGBDRO CCOc1ccc(NC(=O)C[N@H+](CCC(C)C)C2CC2)c([N+](=O)[O-])c1 ZINC000027110765 453811174 /nfs/dbraw/zinc/81/11/74/453811174.db2.gz ZGBCGWYOBORCPA-UHFFFAOYSA-N 1 0 349.431 3.443 20 5 EGBDRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000029166106 453826904 /nfs/dbraw/zinc/82/69/04/453826904.db2.gz ZVSZJLOGHSNCLJ-AWEZNQCLSA-N 1 0 347.440 3.469 20 5 EGBDRO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000066472860 453847865 /nfs/dbraw/zinc/84/78/65/453847865.db2.gz BFKZMJUQSVRDLI-GOEBONIOSA-N 1 0 333.432 3.112 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)CCc1ccccc1 ZINC000053048283 453854531 /nfs/dbraw/zinc/85/45/31/453854531.db2.gz IPFRHINZQHYXGP-UHFFFAOYSA-N 1 0 341.411 3.406 20 5 EGBDRO Cc1ccccc1[C@@H]1CCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000053279466 453869144 /nfs/dbraw/zinc/86/91/44/453869144.db2.gz QFXDEWOLQGDPQS-KRWDZBQOSA-N 1 0 339.395 3.339 20 5 EGBDRO CC(C)C[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000067265335 453915332 /nfs/dbraw/zinc/91/53/32/453915332.db2.gz SAZHDBQBXXZXIN-UHFFFAOYSA-N 1 0 339.823 3.098 20 5 EGBDRO CC[NH+](CC)[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1C)c1ccco1 ZINC000067276609 453917317 /nfs/dbraw/zinc/91/73/17/453917317.db2.gz RIVZFBILHIEWGJ-MRXNPFEDSA-N 1 0 345.399 3.309 20 5 EGBDRO Cc1c(NC(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC000067662397 453954505 /nfs/dbraw/zinc/95/45/05/453954505.db2.gz SUBDCGRQEBNHMD-CYBMUJFWSA-N 1 0 334.420 3.145 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[N@H+](CCc1ccccc1)[C@@H]1CCOC1 ZINC000084134132 453971450 /nfs/dbraw/zinc/97/14/50/453971450.db2.gz QFRJLXBECMBDBG-GOSISDBHSA-N 1 0 326.396 3.428 20 5 EGBDRO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000041701526 453975940 /nfs/dbraw/zinc/97/59/40/453975940.db2.gz SWDWTRGQYFBZCC-CQSZACIVSA-N 1 0 335.404 3.084 20 5 EGBDRO Cc1c(NC(=O)CC[N@@H+](C)Cc2cccs2)cccc1[N+](=O)[O-] ZINC000041887698 453983042 /nfs/dbraw/zinc/98/30/42/453983042.db2.gz OVKLOLULIBQZMR-UHFFFAOYSA-N 1 0 333.413 3.425 20 5 EGBDRO CCC(CC)[C@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1C)[NH+](C)C ZINC000076331512 453989572 /nfs/dbraw/zinc/98/95/72/453989572.db2.gz MGVNJEDLVSEPQA-INIZCTEOSA-N 1 0 336.436 3.391 20 5 EGBDRO CC(C)[N@H+](C)Cc1cccc(CNC(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000068271258 454013045 /nfs/dbraw/zinc/01/30/45/454013045.db2.gz NOKAYYWEWXUXLY-UHFFFAOYSA-N 1 0 341.411 3.365 20 5 EGBDRO COC(=O)c1ccc(C[N@H+](C)CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000076912065 454047864 /nfs/dbraw/zinc/04/78/64/454047864.db2.gz GRKLZRMSTGKOHZ-UHFFFAOYSA-N 1 0 328.368 3.056 20 5 EGBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000087124460 454064654 /nfs/dbraw/zinc/06/46/54/454064654.db2.gz GRZYZXBDXAVPHP-HZPDHXFCSA-N 1 0 347.459 3.012 20 5 EGBDRO C[C@@H](CNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)C[NH+]1CCCCC1 ZINC000057039099 454097982 /nfs/dbraw/zinc/09/79/82/454097982.db2.gz PYYGDVFRKIECHH-GJZGRUSLSA-N 1 0 348.447 3.077 20 5 EGBDRO CCC[C@H]([NH2+]CCS(=O)(=O)C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000089627884 454170179 /nfs/dbraw/zinc/17/01/79/454170179.db2.gz QEBRVKYVLJLNET-HNNXBMFYSA-N 1 0 342.461 3.239 20 5 EGBDRO O=C(c1ccc([N+](=O)[O-])cc1F)N1CC[NH+](CC2CCCCC2)CC1 ZINC000070825718 454178536 /nfs/dbraw/zinc/17/85/36/454178536.db2.gz GNQVDOPIOFIFIH-UHFFFAOYSA-N 1 0 349.406 3.072 20 5 EGBDRO CC[N@H+](C)Cc1cccc(CNC(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000070895400 454183259 /nfs/dbraw/zinc/18/32/59/454183259.db2.gz LJTSAHWOWFQDHA-UHFFFAOYSA-N 1 0 333.413 3.038 20 5 EGBDRO Cn1ccnc1C[C@H]1CCC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000119576706 454205093 /nfs/dbraw/zinc/20/50/93/454205093.db2.gz UWBGKSTWQWVFAM-CYBMUJFWSA-N 1 0 348.834 3.436 20 5 EGBDRO CCOC[C@@H]1CCC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000089901358 454229425 /nfs/dbraw/zinc/22/94/25/454229425.db2.gz GHADOPHXAXYULC-CQSZACIVSA-N 1 0 345.399 3.498 20 5 EGBDRO CCCCC[N@H+](CCO)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089897704 454229595 /nfs/dbraw/zinc/22/95/95/454229595.db2.gz YYZUVEGOUMWDED-UHFFFAOYSA-N 1 0 333.388 3.234 20 5 EGBDRO CC[N@H+](C)C[C@H]1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000089908299 454232092 /nfs/dbraw/zinc/23/20/92/454232092.db2.gz MXESYTRGEMHYGI-CQSZACIVSA-N 1 0 344.415 3.023 20 5 EGBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)C1 ZINC000119965732 454242730 /nfs/dbraw/zinc/24/27/30/454242730.db2.gz ZVMJQVABFZYELO-OAHLLOKOSA-N 1 0 348.447 3.407 20 5 EGBDRO CCc1oc(C(=O)OC)cc1CN1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000131425120 454253309 /nfs/dbraw/zinc/25/33/09/454253309.db2.gz LWPGNNKYZUWFGM-UHFFFAOYSA-N 1 0 344.367 3.095 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1CN1CCC([NH+]2CCCCC2)CC1 ZINC000059387042 454257802 /nfs/dbraw/zinc/25/78/02/454257802.db2.gz PPWIWCWZNITXBC-UHFFFAOYSA-N 1 0 333.432 3.054 20 5 EGBDRO C[N@H+](CCCOc1ccccc1)CCOc1ccccc1[N+](=O)[O-] ZINC000059384325 454258406 /nfs/dbraw/zinc/25/84/06/454258406.db2.gz WGHBDMQUGGQYNZ-UHFFFAOYSA-N 1 0 330.384 3.375 20 5 EGBDRO CC[C@H]([NH2+][C@@H](C)C(=O)NCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000090068529 454271006 /nfs/dbraw/zinc/27/10/06/454271006.db2.gz FSJGWEWQMPIPKJ-KSSFIOAISA-N 1 0 341.411 3.340 20 5 EGBDRO C[NH+](C)C1(CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)CCCCC1 ZINC000078602521 454285118 /nfs/dbraw/zinc/28/51/18/454285118.db2.gz UWPDIEMTKJNBAJ-UHFFFAOYSA-N 1 0 339.823 3.243 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2nnc(C[NH+](CC3CC3)CC3CC3)o2)cc1 ZINC000072637902 454320434 /nfs/dbraw/zinc/32/04/34/454320434.db2.gz XEZNHOOJFUSJRC-UHFFFAOYSA-N 1 0 328.372 3.267 20 5 EGBDRO CC(C)(C)[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccc(F)cc1 ZINC000090552445 454321341 /nfs/dbraw/zinc/32/13/41/454321341.db2.gz NMFJYUHNQMDGPR-UHFFFAOYSA-N 1 0 347.390 3.196 20 5 EGBDRO CCc1ccc([C@@H]([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)C(C)C)cc1 ZINC000090552878 454321746 /nfs/dbraw/zinc/32/17/46/454321746.db2.gz JRNFIJSORKMBOL-IBGZPJMESA-N 1 0 343.427 3.306 20 5 EGBDRO CC1CC[NH+](CCNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 ZINC000047119963 454331877 /nfs/dbraw/zinc/33/18/77/454331877.db2.gz JAGPFBDNQZTXFI-UHFFFAOYSA-N 1 0 347.440 3.271 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(N2CCC[N@H+](Cc3ccccc3)CC2)n1 ZINC000120679116 454334520 /nfs/dbraw/zinc/33/45/20/454334520.db2.gz HXNNRTFCUBOOCB-UHFFFAOYSA-N 1 0 326.400 3.011 20 5 EGBDRO COc1cc(NCC[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc(OC)c1 ZINC000090719848 454338257 /nfs/dbraw/zinc/33/82/57/454338257.db2.gz SRUTZEZYHXTGAQ-CYBMUJFWSA-N 1 0 345.399 3.375 20 5 EGBDRO Cc1c([C@@H](C)[NH2+][C@H]2CCN(c3ccccn3)C2)cccc1[N+](=O)[O-] ZINC000090801579 454341378 /nfs/dbraw/zinc/34/13/78/454341378.db2.gz NTUFUASFEQEMFR-CABCVRRESA-N 1 0 326.400 3.228 20 5 EGBDRO CC[C@H](CSC)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000091098388 454383713 /nfs/dbraw/zinc/38/37/13/454383713.db2.gz CQXFNLPEOATXIC-SNVBAGLBSA-N 1 0 345.852 3.260 20 5 EGBDRO Cc1ccc(NC(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)cc1[N+](=O)[O-] ZINC000048050825 454437010 /nfs/dbraw/zinc/43/70/10/454437010.db2.gz QWSZFOPMYIONBU-UHFFFAOYSA-N 1 0 348.447 3.487 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000048050863 454437159 /nfs/dbraw/zinc/43/71/59/454437159.db2.gz PGVLGWMYBNJNAE-CYBMUJFWSA-N 1 0 334.420 3.147 20 5 EGBDRO O=[N+]([O-])c1ccc(CN2CC[NH+](CCc3cccs3)CC2)cc1 ZINC000064351671 454475281 /nfs/dbraw/zinc/47/52/81/454475281.db2.gz JCBXRZQUOJLPNB-UHFFFAOYSA-N 1 0 331.441 3.017 20 5 EGBDRO CC[NH+](CC)[C@H](CNc1c([N+](=O)[O-])c(C)nn1C)c1ccsc1 ZINC000079900301 454496031 /nfs/dbraw/zinc/49/60/31/454496031.db2.gz GYQQKLAIFQTBTQ-CYBMUJFWSA-N 1 0 337.449 3.193 20 5 EGBDRO Cc1ccc(C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C(C)C)s1 ZINC000065161954 454533632 /nfs/dbraw/zinc/53/36/32/454533632.db2.gz CKYHOKRIVKUJOL-UHFFFAOYSA-N 1 0 347.440 3.474 20 5 EGBDRO C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cn2)CC[N@@H+]1Cc1ccccc1 ZINC000080230854 454552385 /nfs/dbraw/zinc/55/23/85/454552385.db2.gz WNAAKHMDPUUQCH-HOCLYGCPSA-N 1 0 326.400 3.455 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CC3(CO)CC3)o2)c(Cl)c1 ZINC000080246622 454555680 /nfs/dbraw/zinc/55/56/80/454555680.db2.gz QKXPYUVDOGUMHR-UHFFFAOYSA-N 1 0 336.775 3.370 20 5 EGBDRO COc1ccc(OCC[N@@H+]2CCCC[C@@H](SC)C2)c([N+](=O)[O-])c1 ZINC000134582594 454564107 /nfs/dbraw/zinc/56/41/07/454564107.db2.gz MDAKTDLPPVLAMW-CQSZACIVSA-N 1 0 340.445 3.200 20 5 EGBDRO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000134654471 454574721 /nfs/dbraw/zinc/57/47/21/454574721.db2.gz FNENVKDSZVAWBC-DZGCQCFKSA-N 1 0 349.431 3.472 20 5 EGBDRO COc1ccc(C[N@H+](C)CCc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000051454296 454625587 /nfs/dbraw/zinc/62/55/87/454625587.db2.gz YJKCVCVRLXEQDM-UHFFFAOYSA-N 1 0 330.384 3.287 20 5 EGBDRO Cc1cc(NCC2([NH+]3CCSCC3)CCCC2)ncc1[N+](=O)[O-] ZINC000074740427 454628063 /nfs/dbraw/zinc/62/80/63/454628063.db2.gz WPGTULNGKKGATC-UHFFFAOYSA-N 1 0 336.461 3.072 20 5 EGBDRO Cc1cc(N2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000074765579 454631146 /nfs/dbraw/zinc/63/11/46/454631146.db2.gz DQBGVBLYYDASAX-INIZCTEOSA-N 1 0 340.427 3.399 20 5 EGBDRO Cc1cc(N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)ncc1[N+](=O)[O-] ZINC000074768860 454632779 /nfs/dbraw/zinc/63/27/79/454632779.db2.gz JAJFZJQOIFBCFV-INIZCTEOSA-N 1 0 340.427 3.399 20 5 EGBDRO C[C@@H]1C[NH+](CCCNc2ccc3ncccc3c2[N+](=O)[O-])C[C@@H](C)O1 ZINC000051649980 454633575 /nfs/dbraw/zinc/63/35/75/454633575.db2.gz WSQQXCSBHSILFZ-ZIAGYGMSSA-N 1 0 344.415 3.054 20 5 EGBDRO Cc1c(C[N@H+]2CCC[C@@H](Cc3nccn3C)C2)cccc1[N+](=O)[O-] ZINC000123642848 454660716 /nfs/dbraw/zinc/66/07/16/454660716.db2.gz XULCJBUUCAIJRL-HNNXBMFYSA-N 1 0 328.416 3.091 20 5 EGBDRO CCC[NH+]1CCC(N(C)C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000066186124 454665983 /nfs/dbraw/zinc/66/59/83/454665983.db2.gz UWLXFVUTLLLNNU-CQSZACIVSA-N 1 0 348.447 3.172 20 5 EGBDRO COC(=O)C(C)(C)[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000093282953 454699348 /nfs/dbraw/zinc/69/93/48/454699348.db2.gz UMXDVKUFKSRLNB-OAHLLOKOSA-N 1 0 334.416 3.314 20 5 EGBDRO Cn1cc(C[NH+]2C[C@H]3CCC[C@@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093442930 454714911 /nfs/dbraw/zinc/71/49/11/454714911.db2.gz JABIRRHJINLDFP-HUUCEWRRSA-N 1 0 326.400 3.227 20 5 EGBDRO CSc1ccc(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000106790922 454719771 /nfs/dbraw/zinc/71/97/71/454719771.db2.gz VRBFYHXNFGPLAR-ZDUSSCGKSA-N 1 0 349.456 3.063 20 5 EGBDRO CCCCCNC(=O)C1CC[NH+](Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000152999897 454751085 /nfs/dbraw/zinc/75/10/85/454751085.db2.gz SJXZCVRAVALBIX-UHFFFAOYSA-N 1 0 347.459 3.422 20 5 EGBDRO C[N@H+](CCCOc1ccccc1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000136924026 454761105 /nfs/dbraw/zinc/76/11/05/454761105.db2.gz TVBFMAAAMHDLQA-SFHVURJKSA-N 1 0 330.384 3.029 20 5 EGBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000153692195 454821316 /nfs/dbraw/zinc/82/13/16/454821316.db2.gz RNUBCGDPXGOQHV-CQSZACIVSA-N 1 0 334.420 3.099 20 5 EGBDRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)C2CCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000125958131 454859798 /nfs/dbraw/zinc/85/97/98/454859798.db2.gz ZGYGOLSIALWHPH-CZUORRHYSA-N 1 0 331.416 3.037 20 5 EGBDRO CC(C)(C)C(=O)NC[C@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000112699754 454897514 /nfs/dbraw/zinc/89/75/14/454897514.db2.gz YBYKSZFLFNZQMQ-MRXNPFEDSA-N 1 0 347.459 3.012 20 5 EGBDRO CC[C@H]([NH2+][C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CCCO1 ZINC000182317950 455488168 /nfs/dbraw/zinc/48/81/68/455488168.db2.gz YYUZLOGPUIVPIX-TUKIKUTGSA-N 1 0 346.387 3.253 20 5 EGBDRO CC[C@@H]([NH2+][C@@H]1CCN(C(=O)C2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000126986369 454930860 /nfs/dbraw/zinc/93/08/60/454930860.db2.gz YEYMTOWGFGSACJ-SJLPKXTDSA-N 1 0 345.443 3.427 20 5 EGBDRO Cc1ccc(CN(CC[NH+](C)C)C(=O)c2cc(C)ccc2[N+](=O)[O-])o1 ZINC000151076080 454934132 /nfs/dbraw/zinc/93/41/32/454934132.db2.gz YXMPNNQVOSUJPP-UHFFFAOYSA-N 1 0 345.399 3.009 20 5 EGBDRO COc1ncccc1C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000151138633 454943179 /nfs/dbraw/zinc/94/31/79/454943179.db2.gz QOXGYLBDENPCPX-MRXNPFEDSA-N 1 0 327.384 3.109 20 5 EGBDRO CC[NH+](CC)CCCCNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000170640011 454946344 /nfs/dbraw/zinc/94/63/44/454946344.db2.gz BWFNWLIAUQAVNF-UHFFFAOYSA-N 1 0 334.420 3.013 20 5 EGBDRO CSc1ccc(C(=O)N2CCC[C@H]2C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000170684289 454956245 /nfs/dbraw/zinc/95/62/45/454956245.db2.gz RJRBOLKOWOLQPK-AWEZNQCLSA-N 1 0 349.456 3.017 20 5 EGBDRO CC[C@@H]1c2ccccc2CC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000114493343 454957590 /nfs/dbraw/zinc/95/75/90/454957590.db2.gz VELUVCYBYAYUNF-QGZVFWFLSA-N 1 0 339.395 3.203 20 5 EGBDRO COc1cccc2c1OC[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C2 ZINC000178653903 454965982 /nfs/dbraw/zinc/96/59/82/454965982.db2.gz HHYZTXYTSDDQKX-WFASDCNBSA-N 1 0 328.368 3.258 20 5 EGBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)CCC(=O)N2 ZINC000178734127 454970632 /nfs/dbraw/zinc/97/06/32/454970632.db2.gz WHAJPXGITODVJN-CYBMUJFWSA-N 1 0 339.395 3.373 20 5 EGBDRO Cc1c([C@@H](C)[NH2+]Cc2ccc(-n3cncn3)cc2)cccc1[N+](=O)[O-] ZINC000178742659 454971792 /nfs/dbraw/zinc/97/17/92/454971792.db2.gz KMGADYRTYBBXQB-CQSZACIVSA-N 1 0 337.383 3.335 20 5 EGBDRO CCc1ccc(OC[C@@H](O)C[N@H+](C)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000155305632 454985153 /nfs/dbraw/zinc/98/51/53/454985153.db2.gz RCHMPEBYFSRYBS-KRWDZBQOSA-N 1 0 344.411 3.029 20 5 EGBDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000115437605 455015640 /nfs/dbraw/zinc/01/56/40/455015640.db2.gz IYXYGJGTKVNQPG-AWEZNQCLSA-N 1 0 347.459 3.306 20 5 EGBDRO C[C@H](C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)Cn1ccnc1 ZINC000171051840 455021742 /nfs/dbraw/zinc/02/17/42/455021742.db2.gz HAMXRDLHXXTGLD-CQSZACIVSA-N 1 0 340.383 3.477 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+]CCOc2ccc(C(F)(F)F)cn2)cc1 ZINC000152214191 455087451 /nfs/dbraw/zinc/08/74/51/455087451.db2.gz FYEQKYSCVRAQQA-UHFFFAOYSA-N 1 0 341.289 3.177 20 5 EGBDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000172232376 455137319 /nfs/dbraw/zinc/13/73/19/455137319.db2.gz OKDBCQWXZJLHSE-LBPRGKRZSA-N 1 0 347.440 3.223 20 5 EGBDRO COc1ccc(NC(=O)CN2CCC3(C2)CCCCC3)c([N+](=O)[O-])c1 ZINC000130013887 455137791 /nfs/dbraw/zinc/13/77/91/455137791.db2.gz IDMAHQLYNMOUPL-UHFFFAOYSA-N 1 0 347.415 3.198 20 5 EGBDRO CC[C@@H](CCO)C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000152621691 455143382 /nfs/dbraw/zinc/14/33/82/455143382.db2.gz NADHLGUJCGVINK-LBPRGKRZSA-N 1 0 335.429 3.217 20 5 EGBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)N(C)C1CCCCC1 ZINC000180443444 455171295 /nfs/dbraw/zinc/17/12/95/455171295.db2.gz MSLFXFIAQPBIFN-UONOGXRCSA-N 1 0 333.432 3.425 20 5 EGBDRO Cc1ccc([C@@H](C)NC(=O)C[C@@H](C)C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000237392187 455181219 /nfs/dbraw/zinc/18/12/19/455181219.db2.gz FFVMBBOXTVRLGX-ZIAGYGMSSA-N 1 0 333.432 3.106 20 5 EGBDRO C[N@@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C[C@@H]1CCC[C@@H]1O ZINC000180531760 455190486 /nfs/dbraw/zinc/19/04/86/455190486.db2.gz AZQLMEAQDXSECF-YOEHRIQHSA-N 1 0 330.384 3.448 20 5 EGBDRO C[C@@H]1C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@H]1c1ccccc1 ZINC000245424060 455293786 /nfs/dbraw/zinc/29/37/86/455293786.db2.gz JVRAAKCNCNOJBI-LSBZLQRGSA-N 1 0 342.395 3.028 20 5 EGBDRO C[N@H+](CCCNC(=O)c1c(F)cccc1[N+](=O)[O-])C1CCCCC1 ZINC000600988525 460666668 /nfs/dbraw/zinc/66/66/68/460666668.db2.gz RLCAHSAZAJBASB-UHFFFAOYSA-N 1 0 337.395 3.118 20 5 EGBDRO C[C@H](CCNC(=O)c1ccc([N+](=O)[O-])s1)[N@H+](C)Cc1ccccc1 ZINC000173612724 455316258 /nfs/dbraw/zinc/31/62/58/455316258.db2.gz AZKYSRBZFRYMOD-CYBMUJFWSA-N 1 0 347.440 3.297 20 5 EGBDRO COc1cc(C[N@H+](C)C[C@@H](C)c2nccs2)c([N+](=O)[O-])cc1F ZINC000184404370 455378008 /nfs/dbraw/zinc/37/80/08/455378008.db2.gz ASKRNGGFDMJOEJ-SNVBAGLBSA-N 1 0 339.392 3.435 20 5 EGBDRO C[NH+](C)[C@@H](CNC(=O)c1cccc(Cl)c1[N+](=O)[O-])c1ccccc1 ZINC000174951515 455418688 /nfs/dbraw/zinc/41/86/88/455418688.db2.gz HZISXYJSNWHBAV-HNNXBMFYSA-N 1 0 347.802 3.281 20 5 EGBDRO Cc1ccccc1C[C@H](CO)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000191561201 455497054 /nfs/dbraw/zinc/49/70/54/455497054.db2.gz UJVAIPKAGBIKEN-CRAIPNDOSA-N 1 0 328.412 3.466 20 5 EGBDRO Cc1cccc(C[C@H](CO)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000191602992 455502457 /nfs/dbraw/zinc/50/24/57/455502457.db2.gz CCSCMEXRDQVASI-DOTOQJQBSA-N 1 0 328.412 3.466 20 5 EGBDRO C[C@@H]([NH2+][C@@H](C)CS(=O)(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000185149684 455510926 /nfs/dbraw/zinc/51/09/26/455510926.db2.gz HNLXTNMHHLZOQJ-UONOGXRCSA-N 1 0 348.424 3.108 20 5 EGBDRO CC(=O)Nc1cccc([C@@H](C)[NH2+]CCOc2cccc([N+](=O)[O-])c2)c1 ZINC000182532012 455534489 /nfs/dbraw/zinc/53/44/89/455534489.db2.gz HFXICOSNGHGFHS-CYBMUJFWSA-N 1 0 343.383 3.283 20 5 EGBDRO CC(C)C[C@@H](CO)[N@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000185326724 455541366 /nfs/dbraw/zinc/54/13/66/455541366.db2.gz AYUNFEQBZHYPSP-INIZCTEOSA-N 1 0 347.415 3.131 20 5 EGBDRO C[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H](C)C1CCCCC1 ZINC000185511189 455570162 /nfs/dbraw/zinc/57/01/62/455570162.db2.gz XFQNKHGRNRSUBV-OLZOCXBDSA-N 1 0 333.432 3.388 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCC[NH+]1CCCCCC1 ZINC000267968904 455572550 /nfs/dbraw/zinc/57/25/50/455572550.db2.gz MHNSHHAXRBTXIM-UHFFFAOYSA-N 1 0 334.420 3.209 20 5 EGBDRO CCn1cnnc1[C@@H]1CCC[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000182731611 455578336 /nfs/dbraw/zinc/57/83/36/455578336.db2.gz UBULCYMRAIZQOH-LSDHHAIUSA-N 1 0 343.431 3.455 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185674841 455593404 /nfs/dbraw/zinc/59/34/04/455593404.db2.gz JRAODSGCPIJFKM-GJZGRUSLSA-N 1 0 347.459 3.346 20 5 EGBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@@H](c2nnc[nH]2)C2CCCCC2)c1 ZINC000292202076 455595217 /nfs/dbraw/zinc/59/52/17/455595217.db2.gz PPUHMDBADIIYOI-MRXNPFEDSA-N 1 0 329.404 3.167 20 5 EGBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185694430 455598700 /nfs/dbraw/zinc/59/87/00/455598700.db2.gz WRWMVJQZFFWTNS-WBVHZDCISA-N 1 0 331.460 3.380 20 5 EGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@H]1COC2(CCCC2)O1 ZINC000271392105 455620927 /nfs/dbraw/zinc/62/09/27/455620927.db2.gz GDYQQKVIRROLPH-ZDUSSCGKSA-N 1 0 326.780 3.024 20 5 EGBDRO C[C@@H]([NH2+]Cc1ccc(Cn2cncn2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000192465013 455623349 /nfs/dbraw/zinc/62/33/49/455623349.db2.gz YWKMQVZTWSBBLW-CQSZACIVSA-N 1 0 337.383 3.085 20 5 EGBDRO CSC[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000292432000 455661726 /nfs/dbraw/zinc/66/17/26/455661726.db2.gz NRIYKAJZAQLLMS-LLVKDONJSA-N 1 0 325.390 3.078 20 5 EGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCC[C@@H](C)CO ZINC000271520717 455669991 /nfs/dbraw/zinc/66/99/91/455669991.db2.gz OKQFRCLWKSTXFT-KGLIPLIRSA-N 1 0 326.462 3.464 20 5 EGBDRO CC[C@H]([NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-])[C@@H](O)C(F)(F)F ZINC000271583756 455692902 /nfs/dbraw/zinc/69/29/02/455692902.db2.gz XIWYPGONJKYBLY-SCDSUCTJSA-N 1 0 334.338 3.207 20 5 EGBDRO CSc1ccc(C(=O)N2CC[NH+](C3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000192839295 455703413 /nfs/dbraw/zinc/70/34/13/455703413.db2.gz QGQQUWANBAFCOD-UHFFFAOYSA-N 1 0 349.456 3.017 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1OCCO)CCC2 ZINC000192893992 455713952 /nfs/dbraw/zinc/71/39/52/455713952.db2.gz YIRDYVIGCUPNTB-SFHVURJKSA-N 1 0 342.395 3.133 20 5 EGBDRO CC[C@@H]([NH2+]CC1(N2CCCC2)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000268907529 455725816 /nfs/dbraw/zinc/72/58/16/455725816.db2.gz SCSWYYCBWLRJNB-GOSISDBHSA-N 1 0 347.459 3.281 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCCCCC[NH+]1CCCCC1 ZINC000194684733 455873233 /nfs/dbraw/zinc/87/32/33/455873233.db2.gz VDHQIPSEWYQWRP-UHFFFAOYSA-N 1 0 333.432 3.289 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC(C)(C)[C@H]1c1nccn1C ZINC000296192833 455877128 /nfs/dbraw/zinc/87/71/28/455877128.db2.gz MWKJBOGYQSTVEP-CQSZACIVSA-N 1 0 343.387 3.252 20 5 EGBDRO Cc1cccc(C(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000187185770 455878539 /nfs/dbraw/zinc/87/85/39/455878539.db2.gz BVGUPXZKDJLUFQ-KBXCAEBGSA-N 1 0 341.411 3.324 20 5 EGBDRO C[NH+]1CCC([C@@H]2CCN(c3ccc([N+](=O)[O-])c4cnccc43)C2)CC1 ZINC000270194295 455899191 /nfs/dbraw/zinc/89/91/91/455899191.db2.gz PAFCMKSBMLCEFA-OAHLLOKOSA-N 1 0 340.427 3.311 20 5 EGBDRO CO[C@]1(C)CCC[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000280233419 455923268 /nfs/dbraw/zinc/92/32/68/455923268.db2.gz AOEAVQSETFIBLD-GOSISDBHSA-N 1 0 349.431 3.123 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)CCC[N@H+](C)Cc1ccco1 ZINC000285980658 455953307 /nfs/dbraw/zinc/95/33/07/455953307.db2.gz YWILMDUYXBZZRN-UHFFFAOYSA-N 1 0 345.399 3.090 20 5 EGBDRO C[C@](O)(C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C(F)(F)F ZINC000270568113 455984667 /nfs/dbraw/zinc/98/46/67/455984667.db2.gz SKCVGTOTMCDJHB-AWEZNQCLSA-N 1 0 344.289 3.258 20 5 EGBDRO CCOC[C@H]([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C(C)C ZINC000286236705 456006198 /nfs/dbraw/zinc/00/61/98/456006198.db2.gz RRDZLVOFFPREOP-INIZCTEOSA-N 1 0 333.388 3.401 20 5 EGBDRO CCS[C@@H]1CCC[C@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000286261450 456011747 /nfs/dbraw/zinc/01/17/47/456011747.db2.gz SRYCVKPFWWKRME-UKRRQHHQSA-N 1 0 337.445 3.187 20 5 EGBDRO CCS[C@@H]1CCC[C@@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000286261443 456012101 /nfs/dbraw/zinc/01/21/01/456012101.db2.gz SRYCVKPFWWKRME-DZGCQCFKSA-N 1 0 337.445 3.187 20 5 EGBDRO CCOc1ccccc1NC(=O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296715224 456018553 /nfs/dbraw/zinc/01/85/53/456018553.db2.gz MJSIQNQBSRIECH-ZDUSSCGKSA-N 1 0 343.383 3.283 20 5 EGBDRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000262785912 456059074 /nfs/dbraw/zinc/05/90/74/456059074.db2.gz ZQRCBZFHOABHJJ-IUODEOHRSA-N 1 0 333.432 3.234 20 5 EGBDRO O=[N+]([O-])c1ccc2c(ccnc2NCC2CC[NH+](C3CC3)CC2)c1 ZINC000296903645 456063710 /nfs/dbraw/zinc/06/37/10/456063710.db2.gz ZJGHFXAYZKJDIP-UHFFFAOYSA-N 1 0 326.400 3.429 20 5 EGBDRO CC[N@H+](C)C[C@H]1CCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000272824202 456081638 /nfs/dbraw/zinc/08/16/38/456081638.db2.gz JPVLATQNTXOUPF-CQSZACIVSA-N 1 0 328.416 3.229 20 5 EGBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000270997865 456092377 /nfs/dbraw/zinc/09/23/77/456092377.db2.gz LHLLWQMXYASWDC-NSHDSACASA-N 1 0 339.823 3.051 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000297068127 456108340 /nfs/dbraw/zinc/10/83/40/456108340.db2.gz DHPCMQFTNVRTJA-GOSISDBHSA-N 1 0 346.431 3.161 20 5 EGBDRO CCOc1ccc([C@H](C)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000271106651 456127767 /nfs/dbraw/zinc/12/77/67/456127767.db2.gz GHTZPYOPWMGWFU-NUEKZKHPSA-N 1 0 333.432 3.271 20 5 EGBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](CO)c2ccccc2)cc1[N+](=O)[O-] ZINC000271110762 456129567 /nfs/dbraw/zinc/12/95/67/456129567.db2.gz HIBWJTDZPYLDJJ-CJNGLKHVSA-N 1 0 330.384 3.378 20 5 EGBDRO COCCc1ncc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000601109785 460715211 /nfs/dbraw/zinc/71/52/11/460715211.db2.gz ZHSYWBSQQHJYBG-GFCCVEGCSA-N 1 0 335.429 3.399 20 5 EGBDRO C[C@@H]1C[N@@H+](CCC2CCN(c3ccccc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000301596327 456155793 /nfs/dbraw/zinc/15/57/93/456155793.db2.gz ZILRADMKSXZNMB-IYBDPMFKSA-N 1 0 347.459 3.311 20 5 EGBDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000236617061 456160119 /nfs/dbraw/zinc/16/01/19/456160119.db2.gz ICYBTYKBELOPNA-GFCCVEGCSA-N 1 0 347.337 3.059 20 5 EGBDRO Cc1nn(C)c(N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)c1[N+](=O)[O-] ZINC000301693001 456188212 /nfs/dbraw/zinc/18/82/12/456188212.db2.gz YNMWOBKOZCJDGF-CQSZACIVSA-N 1 0 349.479 3.118 20 5 EGBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000271277613 456202431 /nfs/dbraw/zinc/20/24/31/456202431.db2.gz FRFGECMJERKMET-CVEARBPZSA-N 1 0 332.448 3.389 20 5 EGBDRO COc1ccc(CN[C@H](C[NH+](C)C)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000290162363 456256500 /nfs/dbraw/zinc/25/65/00/456256500.db2.gz QEBSUKCPZHHZAZ-MRXNPFEDSA-N 1 0 347.390 3.135 20 5 EGBDRO CCC(=O)c1ccc(NCCC[N@@H+]2CCCO[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000281560878 456265891 /nfs/dbraw/zinc/26/58/91/456265891.db2.gz UNSASVAULHRREO-AWEZNQCLSA-N 1 0 349.431 3.100 20 5 EGBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000275450791 456274804 /nfs/dbraw/zinc/27/48/04/456274804.db2.gz IVTLHGMWVVJKNM-OAHLLOKOSA-N 1 0 349.434 3.308 20 5 EGBDRO C[NH+](C)Cc1cccc(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)c1 ZINC000342912275 456308678 /nfs/dbraw/zinc/30/86/78/456308678.db2.gz BNNJNTDHTMUNAT-UHFFFAOYSA-N 1 0 338.367 3.390 20 5 EGBDRO C[N@@H+]1CCC[C@H]2CN(c3ccc([N+](=O)[O-])cc3OC(F)F)CC[C@@H]21 ZINC000302226796 456323030 /nfs/dbraw/zinc/32/30/30/456323030.db2.gz PUPPGUDQWDYUPP-AAEUAGOBSA-N 1 0 341.358 3.117 20 5 EGBDRO O=C(CC[N@@H+]1CC2(CCC2)[C@@H]1C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000290766223 456424123 /nfs/dbraw/zinc/42/41/23/456424123.db2.gz KVAXMJNNPUKWRO-KRWDZBQOSA-N 1 0 329.400 3.188 20 5 EGBDRO CCc1nn(C)c(NC[C@H](CC(C)C)[NH+](CC)CC)c1[N+](=O)[O-] ZINC000353042636 456458058 /nfs/dbraw/zinc/45/80/58/456458058.db2.gz AZJGHBZPQBHDGI-ZDUSSCGKSA-N 1 0 325.457 3.059 20 5 EGBDRO COc1ccc(NC(=O)CC[N@H+](C)[C@H](C)C2(C)CC2)c([N+](=O)[O-])c1 ZINC000298640739 456507164 /nfs/dbraw/zinc/50/71/64/456507164.db2.gz PQWSVMASWQKEHZ-GFCCVEGCSA-N 1 0 335.404 3.052 20 5 EGBDRO CC[C@@H]1CCC[C@H]1[NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000348177054 456515059 /nfs/dbraw/zinc/51/50/59/456515059.db2.gz BSHOCDZQYMYGSI-TZMCWYRMSA-N 1 0 333.388 3.061 20 5 EGBDRO CO[C@@H](C)c1nc(CN(C)CCc2cccc([N+](=O)[O-])c2)cs1 ZINC000282450338 456518320 /nfs/dbraw/zinc/51/83/20/456518320.db2.gz LSYBCWJSVGHXBH-LBPRGKRZSA-N 1 0 335.429 3.433 20 5 EGBDRO CC(C)([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1cccs1 ZINC000348314483 456616815 /nfs/dbraw/zinc/61/68/15/456616815.db2.gz GODJRVAFYNLQMB-UHFFFAOYSA-N 1 0 345.424 3.070 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000299248127 456642038 /nfs/dbraw/zinc/64/20/38/456642038.db2.gz KNZDZBMOFIOTLT-CJNGLKHVSA-N 1 0 347.415 3.197 20 5 EGBDRO COc1ccc(-c2ccc(C[N@H+](C)[C@@H]3CCC[C@@H]3O)o2)c([N+](=O)[O-])c1 ZINC000348562736 456767263 /nfs/dbraw/zinc/76/72/63/456767263.db2.gz ZYZSVDNNCMUVJF-WBVHZDCISA-N 1 0 346.383 3.209 20 5 EGBDRO Cc1c(C[N@@H+](C)CCCN(C)Cc2ccco2)cccc1[N+](=O)[O-] ZINC000353580893 456778653 /nfs/dbraw/zinc/77/86/53/456778653.db2.gz ZMFVVJDIEOLPAG-UHFFFAOYSA-N 1 0 331.416 3.450 20 5 EGBDRO COc1ccc2c(c1OC)CCN(Cc1ccccc1[N+](=O)[O-])C2 ZINC000341001037 456808180 /nfs/dbraw/zinc/80/81/80/456808180.db2.gz SESZTGURXIPKOI-UHFFFAOYSA-N 1 0 328.368 3.170 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](C[C@@H]3C[C@H]3c3ccccc3)C2)nc1 ZINC000353712805 456867795 /nfs/dbraw/zinc/86/77/95/456867795.db2.gz QCRVWVSQZJIRLX-JZXOWHBKSA-N 1 0 338.411 3.280 20 5 EGBDRO C[C@H]1C[C@H](C)C[NH+](CCCNc2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000341724288 456916196 /nfs/dbraw/zinc/91/61/96/456916196.db2.gz VMMRMCKDHSDPIN-RYUDHWBXSA-N 1 0 349.460 3.379 20 5 EGBDRO C[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)CC1(O)CCCC1 ZINC000339051441 456916495 /nfs/dbraw/zinc/91/64/95/456916495.db2.gz LQFBHWCHHFRNOP-UHFFFAOYSA-N 1 0 332.322 3.351 20 5 EGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)[C@@H](CO)SC ZINC000349243395 456921296 /nfs/dbraw/zinc/92/12/96/456921296.db2.gz BXPUCBRKIMLKND-LALPHHSUSA-N 1 0 344.502 3.168 20 5 EGBDRO C[C@@H](CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)[N@@H+]1CCCC[C@H]1C ZINC000349373295 456957093 /nfs/dbraw/zinc/95/70/93/456957093.db2.gz ONIKLFIHZHADFJ-OLZOCXBDSA-N 1 0 344.415 3.069 20 5 EGBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1ncnc2sc([N+](=O)[O-])cc21 ZINC000341845744 456968827 /nfs/dbraw/zinc/96/88/27/456968827.db2.gz QAEPEPLNZOCGKP-GRYCIOLGSA-N 1 0 349.460 3.378 20 5 EGBDRO CCC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)CC(C)C ZINC000346594107 457065653 /nfs/dbraw/zinc/06/56/53/457065653.db2.gz PLGSYTGPNLWXIW-UHFFFAOYSA-N 1 0 337.420 3.300 20 5 EGBDRO COCCOCc1ccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000342135751 457128718 /nfs/dbraw/zinc/12/87/18/457128718.db2.gz LHSSRLPUNCASGV-UHFFFAOYSA-N 1 0 344.411 3.356 20 5 EGBDRO Cc1c(C(=O)N2CC[NH+](C3CCC(C)CC3)CC2)cccc1[N+](=O)[O-] ZINC000360016069 457205807 /nfs/dbraw/zinc/20/58/07/457205807.db2.gz LDBMADNNJHBFRW-UHFFFAOYSA-N 1 0 345.443 3.240 20 5 EGBDRO Cc1cc(C(=O)NCc2cccc(-n3ccnc3)c2)ccc1[N+](=O)[O-] ZINC000360018147 457206576 /nfs/dbraw/zinc/20/65/76/457206576.db2.gz STXCWSJVEQHJPB-UHFFFAOYSA-N 1 0 336.351 3.019 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](C[C@@H]3CCCCC3(F)F)C2)nc1 ZINC000331581515 457211826 /nfs/dbraw/zinc/21/18/26/457211826.db2.gz XFFPEQWFVPNLJJ-STQMWFEESA-N 1 0 340.374 3.302 20 5 EGBDRO O=C(CC[N@@H+]1CCS[C@@H]2CCCC[C@H]21)Nc1ccc([N+](=O)[O-])cc1 ZINC000331625701 457219859 /nfs/dbraw/zinc/21/98/59/457219859.db2.gz GHALWJJTAJBYAP-HZPDHXFCSA-N 1 0 349.456 3.283 20 5 EGBDRO CC(C)(C)c1ccc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000332287031 457342695 /nfs/dbraw/zinc/34/26/95/457342695.db2.gz SGTWNYFECIBFSN-CVEARBPZSA-N 1 0 345.443 3.249 20 5 EGBDRO CCOCCO[C@H]1CC[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000347347149 457365999 /nfs/dbraw/zinc/36/59/99/457365999.db2.gz VTWYPIILGGYJCH-OTMARIDSSA-N 1 0 334.416 3.126 20 5 EGBDRO CC(C)(C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000347354260 457370108 /nfs/dbraw/zinc/37/01/08/457370108.db2.gz GFGHZRRBFCVNSX-QGZVFWFLSA-N 1 0 345.443 3.006 20 5 EGBDRO CCc1ccc([C@@H](CNc2c([N+](=O)[O-])nc(C)n2CC)[NH+](C)C)cc1 ZINC000360840864 457378637 /nfs/dbraw/zinc/37/86/37/457378637.db2.gz DDFLYGKUBHSYBV-MRXNPFEDSA-N 1 0 345.447 3.397 20 5 EGBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000360842820 457380521 /nfs/dbraw/zinc/38/05/21/457380521.db2.gz QVKQCCCIFCCEFV-CYBMUJFWSA-N 1 0 349.460 3.430 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC=C(c2ccco2)C1 ZINC000352570247 457473906 /nfs/dbraw/zinc/47/39/06/457473906.db2.gz FCQHGYXYFROQLW-UHFFFAOYSA-N 1 0 341.367 3.224 20 5 EGBDRO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+](CCCCO)C1CC1 ZINC000425425379 457550506 /nfs/dbraw/zinc/55/05/06/457550506.db2.gz YJVDJUQVPJBRDG-UHFFFAOYSA-N 1 0 343.221 3.094 20 5 EGBDRO CCOc1cccc(NCC2(SC)CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000357553716 457592820 /nfs/dbraw/zinc/59/28/20/457592820.db2.gz XLFVCTGVVPSWNA-UHFFFAOYSA-N 1 0 339.461 3.233 20 5 EGBDRO C[C@@H]1C[C@@H](c2cccnc2)[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000370230871 457593618 /nfs/dbraw/zinc/59/36/18/457593618.db2.gz PPHOGMQXXMHEQY-KDOFPFPSSA-N 1 0 327.384 3.452 20 5 EGBDRO CC[C@H]1CC[C@H](C)[N@@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000357554876 457594069 /nfs/dbraw/zinc/59/40/69/457594069.db2.gz SUNYATUXUISUHB-STQMWFEESA-N 1 0 333.388 3.156 20 5 EGBDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000361151386 457615899 /nfs/dbraw/zinc/61/58/99/457615899.db2.gz DPZIMDUWOQQFEB-UONOGXRCSA-N 1 0 329.400 3.379 20 5 EGBDRO C[C@@H]([NH2+][C@@H]1CC(=O)N(c2ccccc2F)C1)c1cccc([N+](=O)[O-])c1 ZINC000361185819 457635737 /nfs/dbraw/zinc/63/57/37/457635737.db2.gz IRQCQDNMRGQGSM-TZMCWYRMSA-N 1 0 343.358 3.190 20 5 EGBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)C1CC[NH+](CC)CC1 ZINC000361215395 457648398 /nfs/dbraw/zinc/64/83/98/457648398.db2.gz YTHUHLAFWSHBMK-MRXNPFEDSA-N 1 0 347.459 3.106 20 5 EGBDRO Cn1cc(C[N@@H+]2CC[C@H](C3CC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000370543979 457670827 /nfs/dbraw/zinc/67/08/27/457670827.db2.gz NOCXDQBWMQXQHK-HNNXBMFYSA-N 1 0 326.400 3.227 20 5 EGBDRO Cc1cnc(N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000361264274 457671856 /nfs/dbraw/zinc/67/18/56/457671856.db2.gz YPUZSCXFIWSHNY-HNNXBMFYSA-N 1 0 326.400 3.009 20 5 EGBDRO COc1ccc(NC(=O)C[N@@H+]2C[C@@H](C)CCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000357746210 457675868 /nfs/dbraw/zinc/67/58/68/457675868.db2.gz OZWNKJYODWFTBF-STQMWFEESA-N 1 0 335.404 3.052 20 5 EGBDRO C[C@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)[N@@H+]1CCC[C@H](C)C1 ZINC000357838496 457707294 /nfs/dbraw/zinc/70/72/94/457707294.db2.gz LEPKNJXWSRMYID-QWHCGFSZSA-N 1 0 345.399 3.191 20 5 EGBDRO C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H]1CCCC[C@H]1O ZINC000426244123 457794150 /nfs/dbraw/zinc/79/41/50/457794150.db2.gz NRSJTJIEFLAZAS-HZPDHXFCSA-N 1 0 345.399 3.028 20 5 EGBDRO CC1(C)C[C@@H]([NH2+][C@H]2CCc3c[nH]nc3C2)c2cc([N+](=O)[O-])ccc21 ZINC000433281619 457798384 /nfs/dbraw/zinc/79/83/84/457798384.db2.gz JXRPBDGVKFGOBW-YVEFUNNKSA-N 1 0 326.400 3.187 20 5 EGBDRO C[C@@H]([NH2+]C[C@@H]1COCCO1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000358214810 457864469 /nfs/dbraw/zinc/86/44/69/457864469.db2.gz FIECCKPOCYUYSA-CHWSQXEVSA-N 1 0 348.424 3.389 20 5 EGBDRO CC[NH+](CC)CCN(Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)CC(C)C ZINC000444648278 457927711 /nfs/dbraw/zinc/92/77/11/457927711.db2.gz GULBDBWQSTZPIK-UHFFFAOYSA-N 1 0 347.463 3.271 20 5 EGBDRO CC[C@@H]1CCCC[C@H]1[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000444668586 457933283 /nfs/dbraw/zinc/93/32/83/457933283.db2.gz VUZXVYAJQUEDRZ-BZUAXINKSA-N 1 0 336.432 3.235 20 5 EGBDRO CC[N@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@H]1CCCC[C@H]1C ZINC000444679075 457937991 /nfs/dbraw/zinc/93/79/91/457937991.db2.gz TUTPAHLVWDIUOM-CJNGLKHVSA-N 1 0 349.431 3.443 20 5 EGBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000458169910 457953414 /nfs/dbraw/zinc/95/34/14/457953414.db2.gz FQUJWKVWUMPBFU-LBPRGKRZSA-N 1 0 347.440 3.271 20 5 EGBDRO Cc1c(C[N@@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000444729881 457958344 /nfs/dbraw/zinc/95/83/44/457958344.db2.gz IGTGVPUFJFFWCW-TZMCWYRMSA-N 1 0 332.322 3.038 20 5 EGBDRO CC(C)[C@H]1CCC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000444751611 457966424 /nfs/dbraw/zinc/96/64/24/457966424.db2.gz BPCNXONIKCUPFC-YOEHRIQHSA-N 1 0 331.416 3.068 20 5 EGBDRO CC(C)[C@H](CNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)[NH+]1CCCC1 ZINC000458311179 458009096 /nfs/dbraw/zinc/00/90/96/458009096.db2.gz RLJOSUHYWFGZBD-YOEHRIQHSA-N 1 0 348.447 3.075 20 5 EGBDRO CC[C@H]1C[N@H+](CC)CCN1C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000458526566 458082758 /nfs/dbraw/zinc/08/27/58/458082758.db2.gz XYAHGRHFSWFERP-HOCLYGCPSA-N 1 0 348.447 3.090 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2nc(CN(C3CC3)[C@H]3CC[NH2+]C3)cs2)c1 ZINC000435385861 458132063 /nfs/dbraw/zinc/13/20/63/458132063.db2.gz RXKVUACRTMEKON-INIZCTEOSA-N 1 0 344.440 3.045 20 5 EGBDRO CC1(C)CCCC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000446059076 458135836 /nfs/dbraw/zinc/13/58/36/458135836.db2.gz CZOCFHYPFMRZDP-INIZCTEOSA-N 1 0 331.416 3.212 20 5 EGBDRO COc1ccc(OCC[N@@H+]2CCS[C@@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000362383327 458137222 /nfs/dbraw/zinc/13/72/22/458137222.db2.gz JRCZAOVTDULWPJ-MRXNPFEDSA-N 1 0 340.445 3.056 20 5 EGBDRO Cn1nccc1[C@@H]1CCC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000372038937 458168773 /nfs/dbraw/zinc/16/87/73/458168773.db2.gz ZYHHVDRXMKTEEX-CYBMUJFWSA-N 1 0 334.807 3.361 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1NCCCC[NH+]1CCOCC1 ZINC000429196375 458289808 /nfs/dbraw/zinc/28/98/08/458289808.db2.gz JYOAEHBGOAUPDX-UHFFFAOYSA-N 1 0 348.230 3.426 20 5 EGBDRO CC[N@@H+]1CCCC[C@H]1CNc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000436400594 458299985 /nfs/dbraw/zinc/29/99/85/458299985.db2.gz PDZMUNDFGVROSM-JTQLQIEISA-N 1 0 332.326 3.295 20 5 EGBDRO C[C@H](Nc1cc(C(F)(F)F)ncc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000436398732 458300117 /nfs/dbraw/zinc/30/01/17/458300117.db2.gz AQJPPDHKAFOYLP-VIFPVBQESA-N 1 0 334.342 3.397 20 5 EGBDRO CSC[C@@H]1CCC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000429281660 458306288 /nfs/dbraw/zinc/30/62/88/458306288.db2.gz CVWFOUZGDGMKKD-GFCCVEGCSA-N 1 0 348.428 3.220 20 5 EGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2CCOC3(CCCC3)C2)n1 ZINC000447579810 458315250 /nfs/dbraw/zinc/31/52/50/458315250.db2.gz LQAHCLWGQXDZEF-OWCLPIDISA-N 1 0 348.447 3.356 20 5 EGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]Cc2ccc3c(c2)COC3)n1 ZINC000447586100 458316830 /nfs/dbraw/zinc/31/68/30/458316830.db2.gz LOOYEKMFOLLYFA-IAGOWNOFSA-N 1 0 342.399 3.095 20 5 EGBDRO Cn1nccc1[C@H]1CCC[C@@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)C1 ZINC000448025481 458380402 /nfs/dbraw/zinc/38/04/02/458380402.db2.gz DJAVIVGEIZQTBX-JKSUJKDBSA-N 1 0 328.416 3.187 20 5 EGBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CC3(CCCC3)[C@H]2c2ccccc2)n1 ZINC000459570689 458414120 /nfs/dbraw/zinc/41/41/20/458414120.db2.gz FBJVLGMSEPFJDX-QGZVFWFLSA-N 1 0 326.400 3.409 20 5 EGBDRO C[C@H](CCCc1cccnc1)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000459642558 458434937 /nfs/dbraw/zinc/43/49/37/458434937.db2.gz SLLIJMYCAULVNU-CYBMUJFWSA-N 1 0 339.399 3.367 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1NCCc3ccccc31)CCC2 ZINC000423445524 458435126 /nfs/dbraw/zinc/43/51/26/458435126.db2.gz YJCSXJBVPPFVPE-PMACEKPBSA-N 1 0 337.423 3.449 20 5 EGBDRO CCC[N@H+](CC)CCNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437358375 458448217 /nfs/dbraw/zinc/44/82/17/458448217.db2.gz KPOBCQSUTFRMDW-UHFFFAOYSA-N 1 0 347.337 3.075 20 5 EGBDRO C[C@@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])s2)CC[N@@H+]1Cc1ccccc1 ZINC000377081629 458457135 /nfs/dbraw/zinc/45/71/35/458457135.db2.gz KOQLEVHFFYWHGN-OCCSQVGLSA-N 1 0 345.424 3.049 20 5 EGBDRO C[NH+](C)CCN(Cc1ccsc1)Cc1csc([N+](=O)[O-])c1 ZINC000459744864 458465893 /nfs/dbraw/zinc/46/58/93/458465893.db2.gz MLIAHFQKSYAIPH-UHFFFAOYSA-N 1 0 325.459 3.282 20 5 EGBDRO C[C@H](CC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)[C@H]1CCC[NH2+]C1 ZINC000423721953 458475802 /nfs/dbraw/zinc/47/58/02/458475802.db2.gz JAXISMSAITUBAD-CABCVRRESA-N 1 0 345.443 3.112 20 5 EGBDRO Cc1c(C(=O)Nc2nc(C3CC[NH2+]CC3)cs2)cccc1[N+](=O)[O-] ZINC000423977850 458529364 /nfs/dbraw/zinc/52/93/64/458529364.db2.gz KEBUKEXKQPNSEE-UHFFFAOYSA-N 1 0 346.412 3.079 20 5 EGBDRO C[C@@H]1C[C@H](C)N(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000424050541 458546000 /nfs/dbraw/zinc/54/60/00/458546000.db2.gz DNTHVBBGCAQCLN-IPYPFGDCSA-N 1 0 347.459 3.338 20 5 EGBDRO CC(C)C[C@H]1CCC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000469243763 458561551 /nfs/dbraw/zinc/56/15/51/458561551.db2.gz TUBYDNMRYZJDLT-NVXWUHKLSA-N 1 0 336.432 3.093 20 5 EGBDRO CN(C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-])C(C)(C)C[NH+]1CCCC1 ZINC000493819496 458578021 /nfs/dbraw/zinc/57/80/21/458578021.db2.gz JWGDJXJGLUQLPO-CLFYSBASSA-N 1 0 349.406 3.080 20 5 EGBDRO CCc1ccc([C@H](CNc2ncc([N+](=O)[O-])cn2)[NH+](CC)CC)cc1 ZINC000431503978 458582453 /nfs/dbraw/zinc/58/24/53/458582453.db2.gz DABTUUKUZWECJC-KRWDZBQOSA-N 1 0 343.431 3.442 20 5 EGBDRO CCC1(CC)CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000438484603 458583686 /nfs/dbraw/zinc/58/36/86/458583686.db2.gz JCOTUZQYGIPEDW-UHFFFAOYSA-N 1 0 349.431 3.444 20 5 EGBDRO CCC1(CC)CC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000438500928 458587078 /nfs/dbraw/zinc/58/70/78/458587078.db2.gz KQYDOOUQTBPRQE-UHFFFAOYSA-N 1 0 347.415 3.405 20 5 EGBDRO C[C@H](NC(=O)C[C@H](c1ccccc1)[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000431727180 458614321 /nfs/dbraw/zinc/61/43/21/458614321.db2.gz SVFUIEFZHUVREY-KBXCAEBGSA-N 1 0 341.411 3.465 20 5 EGBDRO O=[N+]([O-])c1ccc2nc(N[C@H]3CC[N@H+](CC4CCCC4)C3)ccc2c1 ZINC000462940866 458667045 /nfs/dbraw/zinc/66/70/45/458667045.db2.gz CTIMSZHUZKJKIL-INIZCTEOSA-N 1 0 340.427 3.241 20 5 EGBDRO CC[NH+](CC)[C@@H](CNc1ccc([N+](=O)[O-])c(C)n1)c1ccsc1 ZINC000471635391 458706305 /nfs/dbraw/zinc/70/63/05/458706305.db2.gz QUWJQHKDMASLSR-HNNXBMFYSA-N 1 0 334.445 3.277 20 5 EGBDRO O=[N+]([O-])c1cccc2c(NC3CC[NH+](CC4CC4)CC3)ccnc21 ZINC000432329953 458716274 /nfs/dbraw/zinc/71/62/74/458716274.db2.gz VUYOFDKAWYUFSA-UHFFFAOYSA-N 1 0 326.400 3.429 20 5 EGBDRO Cc1ccccc1CCC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440351911 458807313 /nfs/dbraw/zinc/80/73/13/458807313.db2.gz BUJQUWGRTCEKLJ-KRWDZBQOSA-N 1 0 340.427 3.417 20 5 EGBDRO COC[C@H]([NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)[C@@H]1CCCO1 ZINC000433007936 458824822 /nfs/dbraw/zinc/82/48/22/458824822.db2.gz WXUHVQWLNZQTMM-ULQDDVLXSA-N 1 0 334.416 3.101 20 5 EGBDRO CC(C)c1ccc(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000473869923 458847691 /nfs/dbraw/zinc/84/76/91/458847691.db2.gz UZMDLHRUGHRYTQ-CYBMUJFWSA-N 1 0 335.448 3.424 20 5 EGBDRO C[C@H]1C[C@H](NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC000440909533 458863424 /nfs/dbraw/zinc/86/34/24/458863424.db2.gz GDMXSTHHYIMXLQ-JSGCOSHPSA-N 1 0 345.443 3.247 20 5 EGBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000457114181 458872228 /nfs/dbraw/zinc/87/22/28/458872228.db2.gz KIYFZCRFCAJXFQ-OAHLLOKOSA-N 1 0 347.459 3.447 20 5 EGBDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000518796772 458894537 /nfs/dbraw/zinc/89/45/37/458894537.db2.gz ZCUJAVGJQFFCRM-HNNXBMFYSA-N 1 0 337.395 3.118 20 5 EGBDRO CC(C)[N@H+](C)CC1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000555974712 458922091 /nfs/dbraw/zinc/92/20/91/458922091.db2.gz QNWPTCDWXBFIQZ-UHFFFAOYSA-N 1 0 345.447 3.023 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](CC(C)C)C1 ZINC000467175646 458955825 /nfs/dbraw/zinc/95/58/25/458955825.db2.gz KBTKXZFCLHFBCW-KBPBESRZSA-N 1 0 349.431 3.298 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC1(N2CCCC2)CCOCC1 ZINC000531959338 459007478 /nfs/dbraw/zinc/00/74/78/459007478.db2.gz URVAZJVWWXBISM-MRXNPFEDSA-N 1 0 347.459 3.199 20 5 EGBDRO COc1ccc(CNC[C@H](C(C)C)[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000520206808 459040145 /nfs/dbraw/zinc/04/01/45/459040145.db2.gz OUKBGHIKGOLJMG-GOSISDBHSA-N 1 0 349.475 3.450 20 5 EGBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H](c2nnc[nH]2)C2CCCCC2)cc1 ZINC000589945761 459054758 /nfs/dbraw/zinc/05/47/58/459054758.db2.gz SBIHFTCQQKLLEG-MRXNPFEDSA-N 1 0 345.403 3.003 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@](O)(C(F)(F)F)C1)CCC2 ZINC000589950204 459056189 /nfs/dbraw/zinc/05/61/89/459056189.db2.gz ZCBLCDOFYBSJEN-KCPJHIHWSA-N 1 0 344.333 3.408 20 5 EGBDRO C[S@](=O)c1ccc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000594498926 459063274 /nfs/dbraw/zinc/06/32/74/459063274.db2.gz NIDBOGUJADPHDD-HJPURHCSSA-N 1 0 330.409 3.109 20 5 EGBDRO COc1ccc([C@@H](CCO)[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000594500870 459063892 /nfs/dbraw/zinc/06/38/92/459063892.db2.gz BWJDCGRTPUREGR-MSOLQXFVSA-N 1 0 342.395 3.304 20 5 EGBDRO C[S@@](=O)c1ccc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000594498930 459064001 /nfs/dbraw/zinc/06/40/01/459064001.db2.gz NIDBOGUJADPHDD-WAIKUNEKSA-N 1 0 330.409 3.109 20 5 EGBDRO Cc1cccc(C[C@@H](CO)[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000594499796 459064033 /nfs/dbraw/zinc/06/40/33/459064033.db2.gz KAELVGCHRWJDSI-YJBOKZPZSA-N 1 0 326.396 3.084 20 5 EGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1CC[C@](O)(C(F)(F)F)C1 ZINC000594518423 459075576 /nfs/dbraw/zinc/07/55/76/459075576.db2.gz IGYWWMHKQNTNQY-LJWDBELGSA-N 1 0 330.306 3.018 20 5 EGBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000590566667 459150556 /nfs/dbraw/zinc/15/05/56/459150556.db2.gz OUFVSRVAEOTLGW-DOMZBBRYSA-N 1 0 333.432 3.057 20 5 EGBDRO C[C@@H]([NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C1CCCCC1 ZINC000558392871 459152670 /nfs/dbraw/zinc/15/26/70/459152670.db2.gz GRIABQKFKOIWHL-CYBMUJFWSA-N 1 0 347.415 3.451 20 5 EGBDRO CN(C)C1(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCCC1 ZINC000480137905 459183921 /nfs/dbraw/zinc/18/39/21/459183921.db2.gz MENPZEAFBFNHCD-QGZVFWFLSA-N 1 0 331.460 3.380 20 5 EGBDRO Cc1c(C[NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)cccc1[N+](=O)[O-] ZINC000594940951 459184683 /nfs/dbraw/zinc/18/46/83/459184683.db2.gz WJSZLVDPDNQRET-GOSISDBHSA-N 1 0 342.395 3.361 20 5 EGBDRO Cn1ncc(C2CC2)c1C[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000594941948 459186241 /nfs/dbraw/zinc/18/62/41/459186241.db2.gz DCQYCTLNYJZHNS-UHFFFAOYSA-N 1 0 334.807 3.191 20 5 EGBDRO COC[C@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)c1cccc(OC)c1 ZINC000594968014 459200071 /nfs/dbraw/zinc/20/00/71/459200071.db2.gz CUQXLXYSQROXKC-KRWDZBQOSA-N 1 0 330.384 3.389 20 5 EGBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C12CCCC2 ZINC000590739053 459201293 /nfs/dbraw/zinc/20/12/93/459201293.db2.gz JPPJMBSFQITSST-JKSUJKDBSA-N 1 0 344.415 3.299 20 5 EGBDRO CO[C@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)C1CCCC1 ZINC000594993370 459208566 /nfs/dbraw/zinc/20/85/66/459208566.db2.gz DHWYSAYQWLPJHH-OAHLLOKOSA-N 1 0 344.358 3.491 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H](c1ccco1)N(C)C ZINC000595008842 459214203 /nfs/dbraw/zinc/21/42/03/459214203.db2.gz WKQKPFSKFSLHAG-SWLSCSKDSA-N 1 0 333.388 3.150 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H](c1ccco1)N(C)C ZINC000595008841 459214262 /nfs/dbraw/zinc/21/42/62/459214262.db2.gz WKQKPFSKFSLHAG-IUODEOHRSA-N 1 0 333.388 3.150 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCCN(C)CC(F)(F)F ZINC000595009416 459214327 /nfs/dbraw/zinc/21/43/27/459214327.db2.gz YQOYNSXLUCSIOY-LLVKDONJSA-N 1 0 349.353 3.138 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)NC1CC[NH+](CC(C)C)CC1 ZINC000595009491 459214433 /nfs/dbraw/zinc/21/44/33/459214433.db2.gz ZNZSFXGWQWQHEL-AWEZNQCLSA-N 1 0 335.448 3.374 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC1(SC)CCOCC1 ZINC000595030268 459222381 /nfs/dbraw/zinc/22/23/81/459222381.db2.gz ZVTCGNQCNPSKSZ-LBPRGKRZSA-N 1 0 340.445 3.166 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H](CO)Cc1ccccc1C ZINC000595039066 459225697 /nfs/dbraw/zinc/22/56/97/459225697.db2.gz BGIMXTOYCIRYPL-ZBFHGGJFSA-N 1 0 344.411 3.166 20 5 EGBDRO COc1ccc(NC(=O)C[NH2+][C@@H]2CCC(C)(C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000481085900 459231629 /nfs/dbraw/zinc/23/16/29/459231629.db2.gz BGQJYPPQWRXRBE-GXTWGEPZSA-N 1 0 349.431 3.346 20 5 EGBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCCOC(C)(C)C ZINC000595078051 459238839 /nfs/dbraw/zinc/23/88/39/459238839.db2.gz XHBCKDPLUZHGMX-ZDUSSCGKSA-N 1 0 337.420 3.107 20 5 EGBDRO CNC(=O)CC1(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000595106627 459246849 /nfs/dbraw/zinc/24/68/49/459246849.db2.gz WDUQLKUHDCOKSC-AWEZNQCLSA-N 1 0 333.432 3.332 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC(C)(C)[C@]1(O)CCCOC1 ZINC000595106601 459246870 /nfs/dbraw/zinc/24/68/70/459246870.db2.gz VRIJRZKDBMNUAE-KSSFIOAISA-N 1 0 336.432 3.122 20 5 EGBDRO Cc1c(NC(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)cccc1[N+](=O)[O-] ZINC000595230287 459259460 /nfs/dbraw/zinc/25/94/60/459259460.db2.gz PATHIEJFPGITOI-OAHLLOKOSA-N 1 0 346.431 3.147 20 5 EGBDRO C[C@@H]1CCCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)[C@@H]1CCC[NH3+] ZINC000595258913 459264191 /nfs/dbraw/zinc/26/41/91/459264191.db2.gz WJHOTIXFAQAKMX-IAQYHMDHSA-N 1 0 339.823 3.228 20 5 EGBDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000522850881 459266790 /nfs/dbraw/zinc/26/67/90/459266790.db2.gz RGPXVIMUMRWZRG-INIZCTEOSA-N 1 0 333.432 3.288 20 5 EGBDRO O=[N+]([O-])c1cc(F)ccc1C[NH+]1C[C@H]2CN(c3ccccc3)C[C@@H]2C1 ZINC000595292645 459269244 /nfs/dbraw/zinc/26/92/44/459269244.db2.gz CBJOGWRBTHNQJR-HOTGVXAUSA-N 1 0 341.386 3.302 20 5 EGBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCCN2c3ccccc3C[C@H]2C1 ZINC000595489628 459323584 /nfs/dbraw/zinc/32/35/84/459323584.db2.gz NEHMYNBLXJJQMM-KRWDZBQOSA-N 1 0 341.386 3.371 20 5 EGBDRO CCOCCC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])c(C)c2)[C@@H](C)C1 ZINC000523753233 459330104 /nfs/dbraw/zinc/33/01/04/459330104.db2.gz QIYIUPCPUUQPPZ-RDJZCZTQSA-N 1 0 335.448 3.452 20 5 EGBDRO C[N@H+]1Cc2ccccc2[C@@H](Nc2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000534531001 459331012 /nfs/dbraw/zinc/33/10/12/459331012.db2.gz URVLQGQMLYUKGS-SFHVURJKSA-N 1 0 334.379 3.164 20 5 EGBDRO Cc1ccc(NC(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000591270351 459344455 /nfs/dbraw/zinc/34/44/55/459344455.db2.gz XOANRSYPEFZFFF-LSDHHAIUSA-N 1 0 346.431 3.147 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@](C)(CO)Cc1ccccc1 ZINC000483634616 459378307 /nfs/dbraw/zinc/37/83/07/459378307.db2.gz IGYLVESIPVPLJG-IBGZPJMESA-N 1 0 328.412 3.234 20 5 EGBDRO C[C@H]1[C@H](C)[N@H+](C)CCN1c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000485402188 459453220 /nfs/dbraw/zinc/45/32/20/459453220.db2.gz GZCAYKOQOUJIPM-STQMWFEESA-N 1 0 344.390 3.325 20 5 EGBDRO Cc1cc(NC[C@H]2CC[N@@H+](C3CC3)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000561572246 459466198 /nfs/dbraw/zinc/46/61/98/459466198.db2.gz FGHPPQUPPVFOMT-CYBMUJFWSA-N 1 0 326.400 3.348 20 5 EGBDRO CC1(C)C[C@]1([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000595910243 459483261 /nfs/dbraw/zinc/48/32/61/459483261.db2.gz SDNADCVOMPJIIC-IBGZPJMESA-N 1 0 339.395 3.448 20 5 EGBDRO Cc1ccc([C@H](C)NC(=O)c2cc3c(s2)CC[NH2+]C3)cc1[N+](=O)[O-] ZINC000595929284 459488601 /nfs/dbraw/zinc/48/86/01/459488601.db2.gz IVUCLNDALLHGRD-NSHDSACASA-N 1 0 345.424 3.101 20 5 EGBDRO O=c1[nH]ccc(NC[C@@H](c2cccs2)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000596053088 459502665 /nfs/dbraw/zinc/50/26/65/459502665.db2.gz LTDGGEGTCMYBCJ-LBPRGKRZSA-N 1 0 334.401 3.006 20 5 EGBDRO C[C@@H](Cc1ccsc1)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000542155440 459529281 /nfs/dbraw/zinc/52/92/81/459529281.db2.gz OSEPAKWBRCDQRY-JSGCOSHPSA-N 1 0 332.429 3.169 20 5 EGBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CC[C@@H](c3cccnc3)C2)cc1 ZINC000592140107 459534624 /nfs/dbraw/zinc/53/46/24/459534624.db2.gz AOIJQMUPFDVNAO-MRXNPFEDSA-N 1 0 327.384 3.248 20 5 EGBDRO C[C@@H]1C[C@H]1c1ccc(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])o1 ZINC000583494954 459549006 /nfs/dbraw/zinc/54/90/06/459549006.db2.gz LLIQILKOJRASQL-TZMCWYRMSA-N 1 0 343.383 3.430 20 5 EGBDRO C[NH+](C)CCCC1CCN(c2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC000596176374 459549327 /nfs/dbraw/zinc/54/93/27/459549327.db2.gz FAVIOQBFTQUERV-UHFFFAOYSA-N 1 0 326.828 3.201 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592254490 459561174 /nfs/dbraw/zinc/56/11/74/459561174.db2.gz FETFPHYSTAKFQE-HZPDHXFCSA-N 1 0 345.443 3.063 20 5 EGBDRO CC[NH+](CC)[C@@H](CNC(=O)c1cc(C)cc([N+](=O)[O-])c1)CC(C)C ZINC000498033793 459565094 /nfs/dbraw/zinc/56/50/94/459565094.db2.gz OPMISPQLFCFECT-QGZVFWFLSA-N 1 0 335.448 3.390 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2ccc(CN3CC[C@H]4CC[NH2+][C@H]4C3)o2)c1 ZINC000592432870 459599860 /nfs/dbraw/zinc/59/98/60/459599860.db2.gz ZJVGPRSTZSDLCD-DYVFJYSZSA-N 1 0 327.384 3.039 20 5 EGBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCCC2(CCCCC2)C1 ZINC000543205614 459635605 /nfs/dbraw/zinc/63/56/05/459635605.db2.gz BNZMHHZSTZMCQE-MRXNPFEDSA-N 1 0 348.443 3.381 20 5 EGBDRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000596436734 459635712 /nfs/dbraw/zinc/63/57/12/459635712.db2.gz QCHHQLVBUNKKHX-LLVKDONJSA-N 1 0 340.811 3.196 20 5 EGBDRO CC(C)C[C@H]1CCC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000544145063 459733521 /nfs/dbraw/zinc/73/35/21/459733521.db2.gz DCMIQYSOHZNIAP-HZPDHXFCSA-N 1 0 336.432 3.093 20 5 EGBDRO Cc1nn(-c2cc[nH+]cc2)cc1CN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000544352606 459750659 /nfs/dbraw/zinc/75/06/59/459750659.db2.gz IACNDCZLICDEKY-UHFFFAOYSA-N 1 0 349.394 3.042 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1ccc(CN2CC[C@H]3C[NH2+]C[C@H]3C2)s1 ZINC000574638089 459845765 /nfs/dbraw/zinc/84/57/65/459845765.db2.gz KVERDKRFHFOTIK-KBPBESRZSA-N 1 0 343.452 3.365 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(N2CCN(c3cc[nH+]c4ccccc43)CC2)n1 ZINC000574642002 459846840 /nfs/dbraw/zinc/84/68/40/459846840.db2.gz BAJDEDWWDZFFLB-UHFFFAOYSA-N 1 0 349.394 3.173 20 5 EGBDRO C[C@@H]1C[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@]1(C)CO ZINC000597236312 459888518 /nfs/dbraw/zinc/88/85/18/459888518.db2.gz PRJZWRWPCAGTCS-SJKOYZFVSA-N 1 0 347.440 3.169 20 5 EGBDRO COC[C@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602469350 459953079 /nfs/dbraw/zinc/95/30/79/459953079.db2.gz UFFUSFRVWINTTG-NSHDSACASA-N 1 0 332.322 3.472 20 5 EGBDRO C[N@H+](Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])CC1(O)CCCC1 ZINC000602472741 459955907 /nfs/dbraw/zinc/95/59/07/459955907.db2.gz IMTYHFBQDJPHHX-UHFFFAOYSA-N 1 0 332.322 3.351 20 5 EGBDRO C[N@@H+](Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])CC1CCOCC1 ZINC000602474841 459955982 /nfs/dbraw/zinc/95/59/82/459955982.db2.gz OBFXUUAJIIKWQR-UHFFFAOYSA-N 1 0 332.322 3.472 20 5 EGBDRO O=[N+]([O-])c1sc(C[NH2+]CCOC2CCCC2)cc1Br ZINC000602526875 459983881 /nfs/dbraw/zinc/98/38/81/459983881.db2.gz HNGUMXFENXLNNJ-UHFFFAOYSA-N 1 0 349.250 3.468 20 5 EGBDRO COc1ccc(CCC[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000602530724 459985787 /nfs/dbraw/zinc/98/57/87/459985787.db2.gz PZNUHYJFGKLEPV-UHFFFAOYSA-N 1 0 344.411 3.377 20 5 EGBDRO CCc1ccccc1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602558715 459995682 /nfs/dbraw/zinc/99/56/82/459995682.db2.gz NOVGYLDRWYCZGO-UHFFFAOYSA-N 1 0 340.427 3.311 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2nc(C(F)(F)F)cs2)cc1 ZINC000602560799 459996806 /nfs/dbraw/zinc/99/68/06/459996806.db2.gz UNVWJHAAQJYYCU-UHFFFAOYSA-N 1 0 331.319 3.402 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CC34CCC(CC3)C4)CC2)cn1 ZINC000602580331 460007560 /nfs/dbraw/zinc/00/75/60/460007560.db2.gz MALYHFLPYGRKGF-UHFFFAOYSA-N 1 0 330.432 3.129 20 5 EGBDRO O=[N+]([O-])c1cnc(N2CCC(C[NH+]3CCCCC3)CC2)c(Cl)c1 ZINC000609892080 460035767 /nfs/dbraw/zinc/03/57/67/460035767.db2.gz IGBFRWIXVLYYGL-UHFFFAOYSA-N 1 0 338.839 3.346 20 5 EGBDRO CC(C)OC[C@@H](CO)[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000575931062 460036121 /nfs/dbraw/zinc/03/61/21/460036121.db2.gz BKYWFUNFJXWYHA-MRXNPFEDSA-N 1 0 348.399 3.073 20 5 EGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@@H]2Cc3ccccc32)n1 ZINC000618568260 460064887 /nfs/dbraw/zinc/06/48/87/460064887.db2.gz ZZFCDAXQNIHSIL-BHYGNILZSA-N 1 0 326.400 3.205 20 5 EGBDRO CC(C)[C@H]1[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC12CCOCC2 ZINC000602688799 460066831 /nfs/dbraw/zinc/06/68/31/460066831.db2.gz DEJMLQXYUJNDEE-QGZVFWFLSA-N 1 0 345.399 3.373 20 5 EGBDRO CCC[N@H+](CCOc1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000610133289 460067551 /nfs/dbraw/zinc/06/75/51/460067551.db2.gz AASBNWMUHUMZBU-RCCFBDPRSA-N 1 0 348.443 3.499 20 5 EGBDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000597922996 460114091 /nfs/dbraw/zinc/11/40/91/460114091.db2.gz ICXBGQAMDRHHPC-LBPRGKRZSA-N 1 0 347.440 3.412 20 5 EGBDRO C[N@@H+]1CCCC[C@@H](CNCc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000598994797 460121752 /nfs/dbraw/zinc/12/17/52/460121752.db2.gz SBHDWELMCVPCGV-LBPRGKRZSA-N 1 0 343.374 3.018 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](Cc1ccc(F)cc1)CC1CC1 ZINC000602785745 460124461 /nfs/dbraw/zinc/12/44/61/460124461.db2.gz YBCRFVKENJIKFN-UHFFFAOYSA-N 1 0 332.379 3.151 20 5 EGBDRO COc1cccc([C@@H]2C[C@@H](C)C[N@@H+]2CCn2c(C)ncc2[N+](=O)[O-])c1 ZINC000602801466 460132706 /nfs/dbraw/zinc/13/27/06/460132706.db2.gz DKVRMOXNJRPXKP-DYVFJYSZSA-N 1 0 344.415 3.191 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](C)c1ccc(OC(F)F)cc1 ZINC000602800200 460132859 /nfs/dbraw/zinc/13/28/59/460132859.db2.gz KLMHNKQMIJPKQY-JTQLQIEISA-N 1 0 340.330 3.052 20 5 EGBDRO CC(C)(C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000594195126 460143753 /nfs/dbraw/zinc/14/37/53/460143753.db2.gz CFFCHCUMNIIJEV-DLBZAZTESA-N 1 0 345.443 3.006 20 5 EGBDRO CC[C@@H]([NH2+]C[C@H]1CCCN1CC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000599066121 460149499 /nfs/dbraw/zinc/14/94/99/460149499.db2.gz QOCJKMGKERWEGG-HUUCEWRRSA-N 1 0 327.375 3.365 20 5 EGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1Cc2ccccc2NC1=O ZINC000599074828 460151643 /nfs/dbraw/zinc/15/16/43/460151643.db2.gz QKUCNKSZUGTSLP-SUMWQHHRSA-N 1 0 339.395 3.069 20 5 EGBDRO O=c1[nH]cccc1C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000599083835 460155517 /nfs/dbraw/zinc/15/55/17/460155517.db2.gz MZFZKSWHQVXNJR-BBRMVZONSA-N 1 0 327.384 3.196 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000598220974 460211754 /nfs/dbraw/zinc/21/17/54/460211754.db2.gz SMXFIGUMJYGORH-AWEZNQCLSA-N 1 0 331.416 3.040 20 5 EGBDRO CC[C@@H]([NH2+]C1CCN(C[C@H]2CCCO2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000610818837 460241663 /nfs/dbraw/zinc/24/16/63/460241663.db2.gz HMCOQGQIUZJESO-RTBURBONSA-N 1 0 347.459 3.279 20 5 EGBDRO CNC(=O)[C@H](CC(C)C)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000618988690 460243363 /nfs/dbraw/zinc/24/33/63/460243363.db2.gz KFDCFWLIGMMOPJ-HOTGVXAUSA-N 1 0 333.432 3.068 20 5 EGBDRO COc1ccc(CN2CCC[C@](OC)(C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000614922348 460245648 /nfs/dbraw/zinc/24/56/48/460245648.db2.gz PVBFDIAYGPPHCA-CQSZACIVSA-N 1 0 348.321 3.147 20 5 EGBDRO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CC[C@H](c3ccccc3)C1)OCCO2 ZINC000611254917 460317944 /nfs/dbraw/zinc/31/79/44/460317944.db2.gz HFGOGVBVGIHYQX-HNNXBMFYSA-N 1 0 340.379 3.356 20 5 EGBDRO COCC[N@H+](Cc1cc(OC)c(OC)cc1[N+](=O)[O-])C1CCCC1 ZINC000611257679 460319880 /nfs/dbraw/zinc/31/98/80/460319880.db2.gz HGRJPOISVNUCHS-UHFFFAOYSA-N 1 0 338.404 3.003 20 5 EGBDRO COc1ccc(C[NH+](C)C)cc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000603589779 460325331 /nfs/dbraw/zinc/32/53/31/460325331.db2.gz BOOPUHZYJJQYAK-UHFFFAOYSA-N 1 0 343.383 3.226 20 5 EGBDRO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000611285887 460329331 /nfs/dbraw/zinc/32/93/31/460329331.db2.gz JARSIZANUFEQNT-MTIYJEKLSA-N 1 0 326.400 3.487 20 5 EGBDRO Cn1cc(C[NH2+][C@H]2CCC(F)(F)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000611464401 460370757 /nfs/dbraw/zinc/37/07/57/460370757.db2.gz MFSLUMVCAQSLIW-ZDUSSCGKSA-N 1 0 336.342 3.273 20 5 EGBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCC(F)(F)C1 ZINC000611475893 460372939 /nfs/dbraw/zinc/37/29/39/460372939.db2.gz NWJBVRQURKBNME-ZYHUDNBSSA-N 1 0 327.331 3.089 20 5 EGBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@@H]3C3CCOCC3)nc2c1 ZINC000611483735 460374060 /nfs/dbraw/zinc/37/40/60/460374060.db2.gz PUTSTUPLOFXXEN-OAHLLOKOSA-N 1 0 331.372 3.127 20 5 EGBDRO CCOc1ccc(NC(=O)C[NH2+][C@H](C)c2ccsc2)c([N+](=O)[O-])c1 ZINC000619782882 460442980 /nfs/dbraw/zinc/44/29/80/460442980.db2.gz NGDOIAOLRYBQSC-LLVKDONJSA-N 1 0 349.412 3.344 20 5 EGBDRO CCCN(CC[NH+](CC)CC)c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000613114628 460833445 /nfs/dbraw/zinc/83/34/45/460833445.db2.gz CPJJAHQUULDHDY-UHFFFAOYSA-N 1 0 331.420 3.096 20 5 EGBDRO O=[N+]([O-])c1ccc2ncnc(NCC[N@@H+]3CCc4ccccc4C3)c2c1 ZINC000611701745 469305521 /nfs/dbraw/zinc/30/55/21/469305521.db2.gz LQVSBVRZTFAFES-UHFFFAOYSA-N 1 0 349.394 3.008 20 5 EGBDRO CC(C)[C@H](C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000171449609 534906965 /nfs/dbraw/zinc/90/69/65/534906965.db2.gz IQRBUZGMPZPQDK-RHSMWYFYSA-N 1 0 333.432 3.283 20 5 EGBDRO CCN(CCC[NH+]1CCCC1)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000190133558 528447331 /nfs/dbraw/zinc/44/73/31/528447331.db2.gz KOQRMRRADSIPPT-OAHLLOKOSA-N 1 0 348.447 3.173 20 5 EGBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)C12CCCC2 ZINC000344625665 535411985 /nfs/dbraw/zinc/41/19/85/535411985.db2.gz JOFYQUSSWJFABH-IAGOWNOFSA-N 1 0 334.416 3.431 20 5 EGBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@@H](O)c1c(F)cccc1F ZINC000266292483 535917907 /nfs/dbraw/zinc/91/79/07/535917907.db2.gz KBBSYCOEPDHHCM-DOTOQJQBSA-N 1 0 336.338 3.475 20 5 EGBDRO COC(=O)c1ccc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)s1 ZINC000338384993 536659619 /nfs/dbraw/zinc/65/96/19/536659619.db2.gz RBFNJVOOXQNELU-UHFFFAOYSA-N 1 0 334.397 3.117 20 5 EGBDRO COc1ccc(C[N@H+](CCn2cc([N+](=O)[O-])cn2)[C@@H](C)C2CC2)cc1 ZINC000350725073 536857821 /nfs/dbraw/zinc/85/78/21/536857821.db2.gz SBELCOAOVGEVGL-AWEZNQCLSA-N 1 0 344.415 3.101 20 5 EGBDRO O=[N+]([O-])c1cc(Br)ccc1C[NH2+][C@H]1CCO[C@H]1C1CC1 ZINC000232463386 547251849 /nfs/dbraw/zinc/25/18/49/547251849.db2.gz QKKPQFYINDZCKX-JSGCOSHPSA-N 1 0 341.205 3.014 20 5 EGBDRO Cc1c(C[NH2+][C@H](C)c2ccc([S@](C)=O)cc2)cccc1[N+](=O)[O-] ZINC000271768185 547344841 /nfs/dbraw/zinc/34/48/41/547344841.db2.gz DSMOARKMQZGWFG-ZLOXQWCVSA-N 1 0 332.425 3.491 20 5 EGBDRO C[C@@H]([NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1)c1cccc([N+](=O)[O-])c1 ZINC000820410020 599693867 /nfs/dbraw/zinc/69/38/67/599693867.db2.gz CAAVEARZPGRMOJ-NWDGAFQWSA-N 1 0 338.371 3.187 20 5 EGBDRO Cc1c(C[NH2+]CCc2nc3cc(F)ccc3n2C)cccc1[N+](=O)[O-] ZINC000873055061 1297250386 /nfs/dbraw/zinc/25/03/86/1297250386.db2.gz CGLVOPKDQPBOTR-UHFFFAOYSA-N 1 0 342.374 3.261 20 5 EGBDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1c(C)ccc([N+](=O)[O-])c1C ZINC000874123251 1297793683 /nfs/dbraw/zinc/79/36/83/1297793683.db2.gz LWAVZCXBAYSPGA-CQSZACIVSA-N 1 0 335.448 3.452 20 5 EGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]C[C@H](O)c1ccsc1 ZINC000877049544 1299132571 /nfs/dbraw/zinc/13/25/71/1299132571.db2.gz SWLPIYRKXYJVGO-ZDUSSCGKSA-N 1 0 346.330 3.498 20 5 EGBDRO Cc1ccc(C[NH2+]CC2(N3CCOCC3)CCCCC2)cc1[N+](=O)[O-] ZINC000061013566 1291956525 /nfs/dbraw/zinc/95/65/25/1291956525.db2.gz IRNPMFRRJFALHN-UHFFFAOYSA-N 1 0 347.459 3.028 20 5 EGBDRO C[C@H](CCNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000828349309 1292456744 /nfs/dbraw/zinc/45/67/44/1292456744.db2.gz SMFLSPVYSWFNHD-GFCCVEGCSA-N 1 0 339.823 3.243 20 5 EGBDRO C[C@H]1CN(c2ccc(N)cc2[N+](=O)[O-])CC[N@H+](Cc2ccccc2)C1 ZINC000829071973 1292535505 /nfs/dbraw/zinc/53/55/05/1292535505.db2.gz HRFHHRBTXWABNO-OAHLLOKOSA-N 1 0 340.427 3.135 20 5 EGBDRO CCOc1ccc([C@H](C)[NH2+]CCc2nc(C(C)C)no2)cc1[N+](=O)[O-] ZINC000089577532 1292771971 /nfs/dbraw/zinc/77/19/71/1292771971.db2.gz IJQCTLNDMROXGP-LBPRGKRZSA-N 1 0 348.403 3.393 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC[C@H]2COc2ccccc2)cc1 ZINC000830872449 1292778944 /nfs/dbraw/zinc/77/89/44/1292778944.db2.gz IEICNOKDRMDNGE-PKOBYXMFSA-N 1 0 342.395 3.172 20 5 EGBDRO [NH3+]CCCN(CC1CCCC1)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000834771388 1293144696 /nfs/dbraw/zinc/14/46/96/1293144696.db2.gz UAAGBSPNESRDTQ-UHFFFAOYSA-N 1 0 339.823 3.229 20 5 EGBDRO COCCC1(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCC1 ZINC000123159352 1293435418 /nfs/dbraw/zinc/43/54/18/1293435418.db2.gz PWIFMVTXNJMBED-UHFFFAOYSA-N 1 0 347.459 3.360 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)C[C@H](O)c1ccco1 ZINC000130565465 1293661055 /nfs/dbraw/zinc/66/10/55/1293661055.db2.gz VKPMFRLJAFGSTP-WFASDCNBSA-N 1 0 334.372 3.188 20 5 EGBDRO Cc1ccccc1OCCC[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000136980747 1293824852 /nfs/dbraw/zinc/82/48/52/1293824852.db2.gz MIDSHZWUHGKRMI-SFHVURJKSA-N 1 0 344.411 3.338 20 5 EGBDRO C[C@H]([NH3+])[C@H]1CCCCN1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000157887396 1294189854 /nfs/dbraw/zinc/18/98/54/1294189854.db2.gz DGMWSWWSNWODDH-GXFFZTMASA-N 1 0 342.237 3.059 20 5 EGBDRO O=[N+]([O-])c1cn(C[N@@H+]2CCC[C@@H]2C2CCCC2)nc1-c1ccncc1 ZINC000172897048 1294448177 /nfs/dbraw/zinc/44/81/77/1294448177.db2.gz RIZJQVMPVPVEBH-MRXNPFEDSA-N 1 0 341.415 3.465 20 5 EGBDRO C[C@@H]1OCC[C@@]1(C)[NH2+]Cc1cccc([N+](=O)[O-])c1Br ZINC000235449378 1296185283 /nfs/dbraw/zinc/18/52/83/1296185283.db2.gz XEGQKNLMRCAFFO-TVQRCGJNSA-N 1 0 329.194 3.014 20 5 EGBDRO CC[C@H](NC(=O)C[C@H](C)[C@@H]1CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000237011262 1296216588 /nfs/dbraw/zinc/21/65/88/1296216588.db2.gz DAVODGJIYWVCGN-LXZKKBNFSA-N 1 0 333.432 3.188 20 5 EGBDRO Cc1cc(F)cc(C(=O)NCC[NH2+]C2CCCCCC2)c1[N+](=O)[O-] ZINC000237658290 1296256040 /nfs/dbraw/zinc/25/60/40/1296256040.db2.gz VBBPKAZHXJFSRV-UHFFFAOYSA-N 1 0 337.395 3.085 20 5 EGBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@@H]1CCCC[C@]1(C)[NH3+] ZINC000263097233 1296660928 /nfs/dbraw/zinc/66/09/28/1296660928.db2.gz ZAFHAYONERXKMB-BBRMVZONSA-N 1 0 339.823 3.114 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)CO[C@@H]1CCOC1 ZINC000872041268 1296689116 /nfs/dbraw/zinc/68/91/16/1296689116.db2.gz GUHCWDVJMXZPMK-MBNYWOFBSA-N 1 0 340.445 3.161 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@](C)(O)C(F)(F)F ZINC000872051571 1296702369 /nfs/dbraw/zinc/70/23/69/1296702369.db2.gz LLAJAYXBVGFWOV-PRHODGIISA-N 1 0 338.351 3.281 20 5 EGBDRO CCNC(=O)C(C)(C)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872058451 1296705553 /nfs/dbraw/zinc/70/55/53/1296705553.db2.gz UXFOHFYHGQFXNX-NSHDSACASA-N 1 0 339.461 3.130 20 5 EGBDRO CC(C)(C)OC(=O)NC[C@](C)([NH2+]Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000305217138 1296998967 /nfs/dbraw/zinc/99/89/67/1296998967.db2.gz SABGYXGRLIIQME-SFHVURJKSA-N 1 0 349.431 3.378 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H]1CCN(c2ncccc2F)C1 ZINC000873075343 1297261371 /nfs/dbraw/zinc/26/13/71/1297261371.db2.gz XULRIBHCELSSQT-AWEZNQCLSA-N 1 0 344.390 3.114 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H]1CCOC2(CCOCC2)C1 ZINC000873080272 1297264805 /nfs/dbraw/zinc/26/48/05/1297264805.db2.gz NDOXQKXKNXQVNT-OAHLLOKOSA-N 1 0 334.416 3.029 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000873809649 1297692147 /nfs/dbraw/zinc/69/21/47/1297692147.db2.gz NUKGLQFBLSTKNH-CQSZACIVSA-N 1 0 347.440 3.306 20 5 EGBDRO CCCC[NH+]1CCC(NC(=O)c2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000874449891 1297896388 /nfs/dbraw/zinc/89/63/88/1297896388.db2.gz GTDZQCOOYNQPGS-UHFFFAOYSA-N 1 0 333.432 3.206 20 5 EGBDRO CCC(O)(CC)C[N@H+](C)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000706403382 1298220203 /nfs/dbraw/zinc/22/02/03/1298220203.db2.gz IDYBSPYMUNBOFJ-UHFFFAOYSA-N 1 0 345.237 3.340 20 5 EGBDRO CC(C)CC[C@@H]([NH3+])C(=O)Nc1ccc([N+](=O)[O-])c(Br)c1 ZINC000707715134 1298230585 /nfs/dbraw/zinc/23/05/85/1298230585.db2.gz LFEXJZYHEYZLPI-LLVKDONJSA-N 1 0 344.209 3.059 20 5 EGBDRO CC[NH+](CC)CCO[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000747226412 1298745624 /nfs/dbraw/zinc/74/56/24/1298745624.db2.gz HMXARJQVINKVDJ-CQSZACIVSA-N 1 0 341.839 3.185 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2CCSc3ccccc32)c1 ZINC000749676341 1299253225 /nfs/dbraw/zinc/25/32/25/1299253225.db2.gz MNJUPEKBUKSTMQ-JKSUJKDBSA-N 1 0 330.409 3.455 20 5 EGBDRO Cc1ccc(C[N@H+]2CCC[C@@H](c3nncn3C(C)C)C2)cc1[N+](=O)[O-] ZINC000878280034 1299887496 /nfs/dbraw/zinc/88/74/96/1299887496.db2.gz NGJKWUMNGDCGGX-MRXNPFEDSA-N 1 0 343.431 3.455 20 5 EGBDRO NC(=O)C[C@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])C1CCCCC1 ZINC000754506531 1300155883 /nfs/dbraw/zinc/15/58/83/1300155883.db2.gz VXQPYEIEIFDERM-AWEZNQCLSA-N 1 0 339.823 3.162 20 5 EGBDRO C[N@@H+]1CCCC[C@@H]1CCOC(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000754987771 1300262252 /nfs/dbraw/zinc/26/22/52/1300262252.db2.gz ZAMZWHFOESGRFE-SNVBAGLBSA-N 1 0 344.770 3.419 20 5 EGBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761521701 1301490555 /nfs/dbraw/zinc/49/05/55/1301490555.db2.gz KAMKFENAXQNDRE-STQMWFEESA-N 1 0 325.840 3.458 20 5 EGBDRO C[NH+](C)CC1(CNCc2ccc([N+](=O)[O-])c(Cl)c2)CCCC1 ZINC000761532221 1301491289 /nfs/dbraw/zinc/49/12/89/1301491289.db2.gz CFDKCJDNYZLSST-UHFFFAOYSA-N 1 0 325.840 3.460 20 5 EGBDRO CC1CC[NH+](C[C@H]2CCCN(c3ccnc(F)c3[N+](=O)[O-])C2)CC1 ZINC000881873123 1301747213 /nfs/dbraw/zinc/74/72/13/1301747213.db2.gz XDBUXUQMQSSZSA-CQSZACIVSA-N 1 0 336.411 3.077 20 5 EGBDRO C[C@@H]1CN(c2ccnc(F)c2[N+](=O)[O-])CC[N@H+](Cc2ccccc2)C1 ZINC000882424107 1301959023 /nfs/dbraw/zinc/95/90/23/1301959023.db2.gz NEWXNXIRONQDAN-AWEZNQCLSA-N 1 0 344.390 3.087 20 5 EGBDRO Cc1nn(C[N@@H+](C)C2Cc3ccccc3C2)c2ccc([N+](=O)[O-])cc12 ZINC000764915728 1302165874 /nfs/dbraw/zinc/16/58/74/1302165874.db2.gz YKEQQFSUJICQLI-UHFFFAOYSA-N 1 0 336.395 3.310 20 5 EGBDRO C[C@H](C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)N1CCCCC1 ZINC000765256590 1302231683 /nfs/dbraw/zinc/23/16/83/1302231683.db2.gz UQIBRQYGXNBMMY-QAPCUYQASA-N 1 0 331.460 3.380 20 5 EGBDRO COC(=O)c1cc([N+](=O)[O-])c(NCC(C)(C)C[NH+](C)C)cc1Cl ZINC000765449521 1302265785 /nfs/dbraw/zinc/26/57/85/1302265785.db2.gz LYFVOKMIYXSKSX-UHFFFAOYSA-N 1 0 343.811 3.035 20 5 EGBDRO Cc1c(NC(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)cccc1[N+](=O)[O-] ZINC000765645563 1302295848 /nfs/dbraw/zinc/29/58/48/1302295848.db2.gz HSOGBJWZYDZAJH-AWEZNQCLSA-N 1 0 332.404 3.042 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000766241955 1302415502 /nfs/dbraw/zinc/41/55/02/1302415502.db2.gz NQWWCTOGHBYKMI-AWEZNQCLSA-N 1 0 334.420 3.208 20 5 EGBDRO CC[N@H+](CCc1ccccn1)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000766810893 1302523048 /nfs/dbraw/zinc/52/30/48/1302523048.db2.gz SCOWPDVMRFYXOZ-UHFFFAOYSA-N 1 0 333.363 3.202 20 5 EGBDRO C[N@@H+]1CC[C@@]2(CCN(c3cccc(C(F)(F)F)c3[N+](=O)[O-])C2)C1 ZINC000884514316 1302892003 /nfs/dbraw/zinc/89/20/03/1302892003.db2.gz FTBUEZIZHKKPFF-CQSZACIVSA-N 1 0 329.322 3.146 20 5 EGBDRO Cc1nn(C[N@H+]2CC[C@H](C)C3(CCC3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000770670530 1303303394 /nfs/dbraw/zinc/30/33/94/1303303394.db2.gz LTMXOPBPLGEYLB-LBPRGKRZSA-N 1 0 329.404 3.118 20 5 EGBDRO COc1cccc(C2CC[NH+](Cc3cccnc3[N+](=O)[O-])CC2)c1 ZINC000885972400 1303303889 /nfs/dbraw/zinc/30/38/89/1303303889.db2.gz BLIBVBSDNAUXRI-UHFFFAOYSA-N 1 0 327.384 3.378 20 5 EGBDRO O=[N+]([O-])c1ncccc1C[N@H+]1CCCCC[C@H]1C[C@H](O)c1ccco1 ZINC000886038788 1303329751 /nfs/dbraw/zinc/32/97/51/1303329751.db2.gz ATCSFISQLZQXCG-HOTGVXAUSA-N 1 0 345.399 3.451 20 5 EGBDRO O=[N+]([O-])c1ncccc1C[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000886111667 1303358913 /nfs/dbraw/zinc/35/89/13/1303358913.db2.gz GMCFSAPHDPVTAA-YOEHRIQHSA-N 1 0 327.384 3.247 20 5 EGBDRO COc1ccc(C[N@H+](C)[C@H](CO)c2ccccc2C)cc1[N+](=O)[O-] ZINC000886432352 1303465439 /nfs/dbraw/zinc/46/54/39/1303465439.db2.gz WHUWAGXDZAZQOA-QGZVFWFLSA-N 1 0 330.384 3.077 20 5 EGBDRO CC(C)OCc1ccccc1C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776275938 1304126066 /nfs/dbraw/zinc/12/60/66/1304126066.db2.gz IRJDGHBVDDJLRY-LJQANCHMSA-N 1 0 344.411 3.343 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]Cc2cc3c(s2)CCCC3)cc1 ZINC000776277393 1304126522 /nfs/dbraw/zinc/12/65/22/1304126522.db2.gz OGNXWAVVSPSQFV-MRXNPFEDSA-N 1 0 332.425 3.358 20 5 EGBDRO COCC[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H](C)c1ccccc1 ZINC000776580269 1304173578 /nfs/dbraw/zinc/17/35/78/1304173578.db2.gz RUVHYNWHUUFTEU-HNAYVOBHSA-N 1 0 344.411 3.338 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH+]2CCC(OC3CCCC3)CC2)cc1 ZINC000776583084 1304174910 /nfs/dbraw/zinc/17/49/10/1304174910.db2.gz ZHEYXHASQMWENT-GOSISDBHSA-N 1 0 334.416 3.052 20 5 EGBDRO Cc1ccccc1[C@@H]1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776581378 1304175181 /nfs/dbraw/zinc/17/51/81/1304175181.db2.gz IFEFHEAGTOSKIY-APWZRJJASA-N 1 0 326.396 3.426 20 5 EGBDRO C[C@H]1CCC[N@H+](Cc2ccccc2CNc2c([N+](=O)[O-])cnn2C)C1 ZINC000891846211 1305186089 /nfs/dbraw/zinc/18/60/89/1305186089.db2.gz XZTPVDYRTYCXRK-AWEZNQCLSA-N 1 0 343.431 3.172 20 5 EGBDRO Cc1ccc(N2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000784387973 1305239480 /nfs/dbraw/zinc/23/94/80/1305239480.db2.gz HNIIYWDTIQUTIV-UHFFFAOYSA-N 1 0 325.412 3.268 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](O)c1ccccc1F ZINC000786813463 1305633796 /nfs/dbraw/zinc/63/37/96/1305633796.db2.gz WWUGSNMDXSFSSO-GWCFYCIZSA-N 1 0 330.359 3.460 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](O)c1cccc(F)c1 ZINC000786814247 1305635099 /nfs/dbraw/zinc/63/50/99/1305635099.db2.gz YMSSHDFZTNXMGT-ZHJQRIIBSA-N 1 0 330.359 3.460 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000787406552 1305741600 /nfs/dbraw/zinc/74/16/00/1305741600.db2.gz PXLAHPKUEKJSCT-SCOADAFUSA-N 1 0 332.400 3.083 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCCC[C@H]1C1OCCO1 ZINC000787407850 1305742322 /nfs/dbraw/zinc/74/23/22/1305742322.db2.gz WCGSUVRTTNJZLF-IFCKCIONSA-N 1 0 332.400 3.226 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C[C@H]1COC2(CCCC2)O1 ZINC000893291637 1305808673 /nfs/dbraw/zinc/80/86/73/1305808673.db2.gz POUWSOPSLPGIFT-ZDUSSCGKSA-N 1 0 326.780 3.024 20 5 EGBDRO COc1ccc(OC)c(CC[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000788567734 1305971913 /nfs/dbraw/zinc/97/19/13/1305971913.db2.gz ARSDQPQPVSYXQX-LBPRGKRZSA-N 1 0 345.399 3.088 20 5 EGBDRO COc1ccc(OCCC[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000788563965 1305972600 /nfs/dbraw/zinc/97/26/00/1305972600.db2.gz QZUVMGGQWCNTSA-ZDUSSCGKSA-N 1 0 345.399 3.305 20 5 EGBDRO COc1ccc(O[C@H](C)C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000788609738 1305982149 /nfs/dbraw/zinc/98/21/49/1305982149.db2.gz IFHXUABWSACVSN-OLZOCXBDSA-N 1 0 345.399 3.304 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2cnn(C[N@@H+]3CCC[C@H]3[C@H]3CCCO3)c2)c1 ZINC000789508695 1306175583 /nfs/dbraw/zinc/17/55/83/1306175583.db2.gz RGJBDDVUNWCJCI-ZWKOTPCHSA-N 1 0 342.399 3.059 20 5 EGBDRO CCC[C@]1(COC)CCC[N@@H+]1Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000894077921 1306205464 /nfs/dbraw/zinc/20/54/64/1306205464.db2.gz XGXVBKMTUZKIEN-QGZVFWFLSA-N 1 0 338.404 3.090 20 5 EGBDRO CCCN(CC[NH+](CC)CC)C(=O)c1cc([N+](=O)[O-])cc(C)c1F ZINC000790956396 1308894554 /nfs/dbraw/zinc/89/45/54/1308894554.db2.gz JOJWUOPEIJCVAK-UHFFFAOYSA-N 1 0 339.411 3.236 20 5 EGBDRO COc1c(O)ccc(C[NH2+][C@@H](C)CCCc2cccnc2)c1[N+](=O)[O-] ZINC000894846488 1309096923 /nfs/dbraw/zinc/09/69/23/1309096923.db2.gz XYFIPNHCDQERTB-ZDUSSCGKSA-N 1 0 345.399 3.205 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC([NH+]3CCCCC3)CC2)c1C ZINC000895842247 1309549942 /nfs/dbraw/zinc/54/99/42/1309549942.db2.gz CVIPQAHCTIMLEX-UHFFFAOYSA-N 1 0 345.443 3.302 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)c1C ZINC000895937840 1309600757 /nfs/dbraw/zinc/60/07/57/1309600757.db2.gz SSNVABVXLKFLFW-CQSZACIVSA-N 1 0 333.432 3.062 20 5 EGBDRO Cc1[nH+]cc2n1C[C@H](c1nc(-c3cccc([N+](=O)[O-])c3C)no1)CC2 ZINC000896388905 1309835188 /nfs/dbraw/zinc/83/51/88/1309835188.db2.gz MXQYDAXBWDCKMO-GFCCVEGCSA-N 1 0 339.355 3.188 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](O)c1ccc(CC)cc1 ZINC000796451261 1310004289 /nfs/dbraw/zinc/00/42/89/1310004289.db2.gz MIMJPVLJWGQLSX-GOSISDBHSA-N 1 0 344.411 3.379 20 5 EGBDRO CC[N@@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)CC1CCC1 ZINC000796532983 1310021756 /nfs/dbraw/zinc/02/17/56/1310021756.db2.gz IQERNMZILNQDDO-UHFFFAOYSA-N 1 0 325.796 3.309 20 5 EGBDRO Cc1c(C[NH2+]CC2(NC(=O)OC(C)(C)C)CC2)cccc1[N+](=O)[O-] ZINC000897421192 1310331085 /nfs/dbraw/zinc/33/10/85/1310331085.db2.gz VSQIQLNCFOKWNL-UHFFFAOYSA-N 1 0 335.404 3.050 20 5 EGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]Cc1cnn(CC2CCC2)c1 ZINC000897429942 1310333930 /nfs/dbraw/zinc/33/39/30/1310333930.db2.gz NRAOUOOHUWBFPT-QGZVFWFLSA-N 1 0 326.400 3.369 20 5 EGBDRO COc1cc(C[N@@H+]2CC[C@@H](c3ccccn3)C2)c([N+](=O)[O-])cc1F ZINC000799197034 1310511357 /nfs/dbraw/zinc/51/13/57/1310511357.db2.gz PSTFMMYRQYOPCV-GFCCVEGCSA-N 1 0 331.347 3.127 20 5 EGBDRO COc1ccc(-c2ccc(C[NH2+]CC[C@@H](O)C3CC3)o2)c([N+](=O)[O-])c1 ZINC000898207041 1310627490 /nfs/dbraw/zinc/62/74/90/1310627490.db2.gz YYFKMRBBVRCXSA-QGZVFWFLSA-N 1 0 346.383 3.114 20 5 EGBDRO CC[NH+](CC)CCCOC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000800191792 1310696711 /nfs/dbraw/zinc/69/67/11/1310696711.db2.gz GBEKUOKPMKRFKR-UHFFFAOYSA-N 1 0 331.372 3.032 20 5 EGBDRO Cc1cc(Cl)nc(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000800492138 1310768427 /nfs/dbraw/zinc/76/84/27/1310768427.db2.gz CIFVMDYBACSBFQ-KGLIPLIRSA-N 1 0 349.822 3.422 20 5 EGBDRO O=[N+]([O-])c1ccc(OCCC[NH2+][C@H]2CCc3ccccc3OC2)cc1 ZINC000801575548 1310968992 /nfs/dbraw/zinc/96/89/92/1310968992.db2.gz KCLNPTDLWXFPDV-INIZCTEOSA-N 1 0 342.395 3.347 20 5 EGBDRO Cc1cc(Cl)c(C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000826677695 1320397525 /nfs/dbraw/zinc/39/75/25/1320397525.db2.gz MAILFMPYKVUMML-NWDGAFQWSA-N 1 0 339.823 3.159 20 5 EGBDRO Cc1cc(NCc2cccc([N+](=O)[O-])c2)ccc1OCC[NH+](C)C ZINC000839184953 1320888863 /nfs/dbraw/zinc/88/88/63/1320888863.db2.gz PXPUOTZAKILLSH-UHFFFAOYSA-N 1 0 329.400 3.456 20 5 EGBDRO CC[C@H](C(=O)OCc1c(F)cc([N+](=O)[O-])cc1F)[NH+](CC)CC ZINC000803362857 1317113563 /nfs/dbraw/zinc/11/35/63/1317113563.db2.gz SQNCYULUHXAPMF-CQSZACIVSA-N 1 0 330.331 3.037 20 5 EGBDRO C[C@H](Nc1nc2ccccn2c1[N+](=O)[O-])[C@@H](c1ccccc1)[NH+](C)C ZINC000804678082 1317273828 /nfs/dbraw/zinc/27/38/28/1317273828.db2.gz DBBCVJYXFRNXFF-BBRMVZONSA-N 1 0 339.399 3.346 20 5 EGBDRO [NH3+]CC1(c2ccccc2)CCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000900410104 1317285512 /nfs/dbraw/zinc/28/55/12/1317285512.db2.gz BYJNHLWHJSRWLG-UHFFFAOYSA-N 1 0 346.818 3.140 20 5 EGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)c1 ZINC000806146556 1317464902 /nfs/dbraw/zinc/46/49/02/1317464902.db2.gz BYYOSMCYJOUKLN-SKDRFNHKSA-N 1 0 338.713 3.448 20 5 EGBDRO Cc1sccc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001020130847 1317554472 /nfs/dbraw/zinc/55/44/72/1317554472.db2.gz MLSQNKIZIPSRLK-HDJSIYSDSA-N 1 0 345.424 3.015 20 5 EGBDRO CCOC1CC([N@H+](C)Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 ZINC000808213027 1317645453 /nfs/dbraw/zinc/64/54/53/1317645453.db2.gz BQMDVTWOVGDQPE-UHFFFAOYSA-N 1 0 338.795 3.055 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+]CC[C@H](O)C2CC2)c2ccccc2)c1 ZINC000903407038 1317697592 /nfs/dbraw/zinc/69/75/92/1317697592.db2.gz MAHQZMHWKHDRAK-OALUTQOASA-N 1 0 326.396 3.435 20 5 EGBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000808806365 1317737945 /nfs/dbraw/zinc/73/79/45/1317737945.db2.gz BWVLYPSSEZLRAO-NSHDSACASA-N 1 0 342.827 3.490 20 5 EGBDRO COc1cccc2cc(CN(CC[NH3+])c3ccccc3[N+](=O)[O-])oc21 ZINC000809728267 1317880262 /nfs/dbraw/zinc/88/02/62/1317880262.db2.gz QGNJOSIAXASTMK-UHFFFAOYSA-N 1 0 341.367 3.315 20 5 EGBDRO C[C@H]1C[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])nc3)cc2)C[C@H](C)O1 ZINC000904799827 1317900610 /nfs/dbraw/zinc/90/06/10/1317900610.db2.gz RRHWZHAFGNOVQB-KBPBESRZSA-N 1 0 327.384 3.266 20 5 EGBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809877000 1317912324 /nfs/dbraw/zinc/91/23/24/1317912324.db2.gz VHOGGUAHUDBQMW-LLVKDONJSA-N 1 0 342.827 3.490 20 5 EGBDRO CC[C@H]1CCCCN1C(=O)[C@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000905852751 1318007059 /nfs/dbraw/zinc/00/70/59/1318007059.db2.gz NAHHXZBTQPQHTO-YCPHGPKFSA-N 1 0 333.432 3.425 20 5 EGBDRO C[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)N1CCc2ccccc21 ZINC000905852655 1318007225 /nfs/dbraw/zinc/00/72/25/1318007225.db2.gz LUDSXWAFAUKMLO-ZIAGYGMSSA-N 1 0 339.395 3.223 20 5 EGBDRO CSc1ccc([N+](=O)[O-])c(C(=O)O[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000810837085 1318063058 /nfs/dbraw/zinc/06/30/58/1318063058.db2.gz FJXJQGHHTBHPKK-NEPJUHHUSA-N 1 0 336.413 3.100 20 5 EGBDRO C[C@H](C(=O)O[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc([N+](=O)[O-])cc1F ZINC000810849043 1318065264 /nfs/dbraw/zinc/06/52/64/1318065264.db2.gz ZGPDZKKRBZIZLS-OUCADQQQSA-N 1 0 336.363 3.007 20 5 EGBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000811598965 1318209349 /nfs/dbraw/zinc/20/93/49/1318209349.db2.gz CLAXASVWUGDCAD-LLVKDONJSA-N 1 0 327.812 3.098 20 5 EGBDRO Cc1cc(NC2CC[NH+](C[C@@H]3CCCO3)CC2)c(F)cc1[N+](=O)[O-] ZINC000812454035 1318395767 /nfs/dbraw/zinc/39/57/67/1318395767.db2.gz BKLLQBPGGJEPRB-AWEZNQCLSA-N 1 0 337.395 3.098 20 5 EGBDRO Cc1sccc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001022045954 1318778297 /nfs/dbraw/zinc/77/82/97/1318778297.db2.gz ATRRBCVILSPEDD-OKILXGFUSA-N 1 0 345.424 3.015 20 5 EGBDRO Cc1sccc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001022048369 1318779464 /nfs/dbraw/zinc/77/94/64/1318779464.db2.gz QCTGWMHVXSGWKC-OKILXGFUSA-N 1 0 345.424 3.015 20 5 EGBDRO Cc1csc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC001022049131 1318779487 /nfs/dbraw/zinc/77/94/87/1318779487.db2.gz QZVLBQHSMYCZBC-OKILXGFUSA-N 1 0 345.424 3.015 20 5 EGBDRO C[C@@H]([NH2+]CCN1CCCc2ccccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815570122 1319017269 /nfs/dbraw/zinc/01/72/69/1319017269.db2.gz RQIFTZVTLQJQTJ-CQSZACIVSA-N 1 0 340.427 3.280 20 5 EGBDRO COc1ccc2c(c1)CC[C@H]([NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)C2 ZINC000815615825 1319028559 /nfs/dbraw/zinc/02/85/59/1319028559.db2.gz YIXQKXXWXHGJBJ-WBMJQRKESA-N 1 0 341.411 3.394 20 5 EGBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000816898819 1319241502 /nfs/dbraw/zinc/24/15/02/1319241502.db2.gz HXZNEBLKAHKEJC-NWDGAFQWSA-N 1 0 339.823 3.098 20 5 EGBDRO C[C@@H]([NH2+]Cc1c(Br)cccc1[N+](=O)[O-])C1CCOCC1 ZINC000930226372 1328816453 /nfs/dbraw/zinc/81/64/53/1328816453.db2.gz UDAWZTWHHIYTSK-SNVBAGLBSA-N 1 0 343.221 3.262 20 5 EGBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2cccc([N+](=O)[O-])c2Cl)C1 ZINC000816910754 1319244342 /nfs/dbraw/zinc/24/43/42/1319244342.db2.gz QRAXDZUMLFSPMU-GFCCVEGCSA-N 1 0 339.823 3.098 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[N@@H+](C)C[C@@H]1CC(C)C ZINC000930314223 1328831874 /nfs/dbraw/zinc/83/18/74/1328831874.db2.gz DFYVPOUNJCHGIM-HNNXBMFYSA-N 1 0 348.447 3.406 20 5 EGBDRO CCN(CC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1cccc(C)c1 ZINC000818940965 1319582115 /nfs/dbraw/zinc/58/21/15/1319582115.db2.gz MMKXEEWFCVMJFW-LJQANCHMSA-N 1 0 343.427 3.053 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCCCOc2ccc(F)cc2)cc1 ZINC000818945232 1319583948 /nfs/dbraw/zinc/58/39/48/1319583948.db2.gz YIBKFRFBLWRRBT-SFHVURJKSA-N 1 0 348.374 3.216 20 5 EGBDRO Cc1ccc(C[C@H](C)[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000819042241 1319620415 /nfs/dbraw/zinc/62/04/15/1319620415.db2.gz LNGNSJSUZLSHHL-HNAYVOBHSA-N 1 0 328.412 3.466 20 5 EGBDRO C[C@@H](C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)Sc1ccccc1 ZINC000819116734 1319640255 /nfs/dbraw/zinc/64/02/55/1319640255.db2.gz YEZHRCRDTIBJLC-GUYCJALGSA-N 1 0 332.425 3.399 20 5 EGBDRO COc1ccc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000819172626 1319656892 /nfs/dbraw/zinc/65/68/92/1319656892.db2.gz DBDNXBPEZDLBAV-HNNXBMFYSA-N 1 0 336.775 3.080 20 5 EGBDRO COc1ccc(C[C@@H](C)C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000819189675 1319661442 /nfs/dbraw/zinc/66/14/42/1319661442.db2.gz DPRHVIKIVLZZPR-AUUYWEPGSA-N 1 0 344.411 3.105 20 5 EGBDRO CSCc1cccc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000819253039 1319680920 /nfs/dbraw/zinc/68/09/20/1319680920.db2.gz LONAFCZJKJGUKA-QGZVFWFLSA-N 1 0 332.425 3.281 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2C[C@H](c3cccc(F)c3)C2)c1 ZINC000819282665 1319688390 /nfs/dbraw/zinc/68/83/90/1319688390.db2.gz KXASKGLKGDZGIO-QGPMSJSTSA-N 1 0 330.359 3.303 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2C[C@H]2c2cccc(Cl)c2)c1 ZINC000819281628 1319688766 /nfs/dbraw/zinc/68/87/66/1319688766.db2.gz LINIKUXZODLBMM-GVDBMIGSSA-N 1 0 332.787 3.427 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@H]2CCCCC(F)(F)C2)c1 ZINC000819326167 1319699113 /nfs/dbraw/zinc/69/91/13/1319699113.db2.gz OECDUZPGENUQRB-WFASDCNBSA-N 1 0 328.359 3.433 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@H](c2ccccc2)C2CC2)c1 ZINC000819330611 1319699671 /nfs/dbraw/zinc/69/96/71/1319699671.db2.gz WVJONWHDSSIKHJ-RBUKOAKNSA-N 1 0 326.396 3.412 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@H]2CSc3ccccc32)cc1 ZINC000819336709 1319703235 /nfs/dbraw/zinc/70/32/35/1319703235.db2.gz KMLPBKMVSBWMQP-XJKSGUPXSA-N 1 0 330.409 3.107 20 5 EGBDRO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])c2nonc21)C1CCCCC1 ZINC000917064821 1319747424 /nfs/dbraw/zinc/74/74/24/1319747424.db2.gz HIARGTMSXATCEF-CQSZACIVSA-N 1 0 333.392 3.053 20 5 EGBDRO O=[N+]([O-])c1ccn(C2CC[NH+](CC[C@H]3CC3(Cl)Cl)CC2)n1 ZINC000822977519 1320142925 /nfs/dbraw/zinc/14/29/25/1320142925.db2.gz VKEKVCBISLCHIE-JTQLQIEISA-N 1 0 333.219 3.012 20 5 EGBDRO CC(C)(C[NH+]1CCCC1)NC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000836367551 1320478892 /nfs/dbraw/zinc/47/88/92/1320478892.db2.gz ZPGUWEJPWJLRKR-UHFFFAOYSA-N 1 0 340.811 3.244 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C(=O)NC[C@H](C)[NH+]2CCCCC2)cc1Cl ZINC000836443414 1320488529 /nfs/dbraw/zinc/48/85/29/1320488529.db2.gz GSCOBFJUWSUABN-LBPRGKRZSA-N 1 0 339.823 3.161 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)cc1Cl ZINC000836712500 1320524929 /nfs/dbraw/zinc/52/49/29/1320524929.db2.gz DTTGRAXBDADQHV-NSHDSACASA-N 1 0 341.839 3.263 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](CO)c2ccc(F)cc2)cc1Cl ZINC000840963443 1321188529 /nfs/dbraw/zinc/18/85/29/1321188529.db2.gz NKVJPUIEUWBJPA-ZDUSSCGKSA-N 1 0 338.766 3.253 20 5 EGBDRO COC1([C@H](C)[NH2+]Cc2c(Br)cccc2[N+](=O)[O-])CCC1 ZINC000930722058 1328949804 /nfs/dbraw/zinc/94/98/04/1328949804.db2.gz NKSNMESHEIDMSM-JTQLQIEISA-N 1 0 343.221 3.405 20 5 EGBDRO CC(C)Oc1cc(C(=O)O[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000842351256 1321376245 /nfs/dbraw/zinc/37/62/45/1321376245.db2.gz BIJOFCHMKCDPQE-HUUCEWRRSA-N 1 0 348.399 3.166 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2cnn(C[N@@H+]3CC[C@H](c4cccnc4)C3)c2)c1 ZINC000842628701 1321409278 /nfs/dbraw/zinc/40/92/78/1321409278.db2.gz QOWQOLHQVQRFMH-KRWDZBQOSA-N 1 0 349.394 3.300 20 5 EGBDRO CC(C)(C)c1ccc(-c2nc([C@H]3CCC[NH2+]C3)no2)cc1[N+](=O)[O-] ZINC000842664126 1321414535 /nfs/dbraw/zinc/41/45/35/1321414535.db2.gz SPZXDJBZGOGEIH-LBPRGKRZSA-N 1 0 330.388 3.409 20 5 EGBDRO CCCN(C(=O)c1cc([N+](=O)[O-])c(C)cc1Cl)[C@@H]1CC[N@H+](C)C1 ZINC000844146430 1321573896 /nfs/dbraw/zinc/57/38/96/1321573896.db2.gz NAKGJBLYYYSYLX-GFCCVEGCSA-N 1 0 339.823 3.113 20 5 EGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@H]1COC2(CCCCC2)O1 ZINC000848537843 1321971666 /nfs/dbraw/zinc/97/16/66/1321971666.db2.gz OQKDLJIVWVELEJ-XJKSGUPXSA-N 1 0 332.400 3.248 20 5 EGBDRO [NH2+]=C(NCCc1ccccc1)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000849076958 1322068388 /nfs/dbraw/zinc/06/83/88/1322068388.db2.gz ATMMLZQNROETKL-UHFFFAOYSA-N 1 0 346.818 3.147 20 5 EGBDRO CCc1cccc(NC(=[NH2+])NCCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000849100002 1322077977 /nfs/dbraw/zinc/07/79/77/1322077977.db2.gz OSKDDZWJKUCJSR-UHFFFAOYSA-N 1 0 328.372 3.172 20 5 EGBDRO CC[NH+](CC)CCN(CC(C)C)C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000920003027 1322127021 /nfs/dbraw/zinc/12/70/21/1322127021.db2.gz SIISXUFDRWKOBX-XFXZXTDPSA-N 1 0 347.459 3.434 20 5 EGBDRO C[NH+](C)[C@H](CNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000920461211 1322181081 /nfs/dbraw/zinc/18/10/81/1322181081.db2.gz UGWDTRRDFIZUEU-ADYSOMBNSA-N 1 0 345.443 3.235 20 5 EGBDRO C[C@H](CN(C)C(=O)OC(C)(C)C)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000850416960 1322243416 /nfs/dbraw/zinc/24/34/16/1322243416.db2.gz HMBAZTMBHFMITB-LLVKDONJSA-N 1 0 341.383 3.079 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H](O)c1cccc(C)c1 ZINC000850445873 1322250718 /nfs/dbraw/zinc/25/07/18/1322250718.db2.gz JQKJMIJITCGHSN-CXAGYDPISA-N 1 0 330.384 3.296 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccc2c(c1)C[C@H](C)O2 ZINC000921687365 1322378249 /nfs/dbraw/zinc/37/82/49/1322378249.db2.gz CTZVFZHGGILEGY-LBPRGKRZSA-N 1 0 328.368 3.217 20 5 EGBDRO CN(CCCC[NH+]1CCCCC1)C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000922332851 1322503635 /nfs/dbraw/zinc/50/36/35/1322503635.db2.gz KPUMDWTXMRSMGJ-XFXZXTDPSA-N 1 0 345.443 3.333 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000931494245 1329130454 /nfs/dbraw/zinc/13/04/54/1329130454.db2.gz GJAJRFYELZGTEJ-CYBMUJFWSA-N 1 0 334.420 3.152 20 5 EGBDRO Cc1cc(NC2CC[NH+](C[C@@H]3CCCO3)CC2)c([N+](=O)[O-])s1 ZINC000853160205 1325055137 /nfs/dbraw/zinc/05/51/37/1325055137.db2.gz NBKQDGLQFKFZLW-ZDUSSCGKSA-N 1 0 325.434 3.020 20 5 EGBDRO O=c1[nH]ccc(NC2CC[NH+](CC3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000853236875 1325068528 /nfs/dbraw/zinc/06/85/28/1325068528.db2.gz JOSZAIPUAJCCNM-UHFFFAOYSA-N 1 0 334.420 3.152 20 5 EGBDRO COc1cc(N2CCC[C@H]([NH+]3CCCC3)CC2)c([N+](=O)[O-])cc1C ZINC000853360373 1325084812 /nfs/dbraw/zinc/08/48/12/1325084812.db2.gz CVZVWXBSEIHHEJ-HNNXBMFYSA-N 1 0 333.432 3.367 20 5 EGBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000925234223 1325089295 /nfs/dbraw/zinc/08/92/95/1325089295.db2.gz AZLRSMNKIDKIQR-CPUCHLNUSA-N 1 0 348.447 3.170 20 5 EGBDRO C[N@H+](Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1)[C@H]1CCC(C)(C)C1 ZINC000853511738 1325110717 /nfs/dbraw/zinc/11/07/17/1325110717.db2.gz SUQMSLDMFHTRMX-ZDUSSCGKSA-N 1 0 329.404 3.321 20 5 EGBDRO CC(=O)N[C@H](c1ccccc1F)[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000925307926 1325120140 /nfs/dbraw/zinc/12/01/40/1325120140.db2.gz OWQVLLMGJPWLDK-SGTLLEGYSA-N 1 0 345.374 3.089 20 5 EGBDRO C[NH+](C)CC1CCN(c2cccc(Br)c2[N+](=O)[O-])CC1 ZINC000856723652 1325513371 /nfs/dbraw/zinc/51/33/71/1325513371.db2.gz AQTLHDUXAKDXHL-UHFFFAOYSA-N 1 0 342.237 3.135 20 5 EGBDRO C[C@@H](CC[NH2+]Cc1ccc([N+](=O)[O-])cc1F)NC(=O)OC(C)(C)C ZINC000856813026 1325530365 /nfs/dbraw/zinc/53/03/65/1325530365.db2.gz HPMXYLCMFCVQHU-NSHDSACASA-N 1 0 341.383 3.127 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+]CCO[C@@H]2CCOC2)c2ccccc2)c1 ZINC000927080950 1327851109 /nfs/dbraw/zinc/85/11/09/1327851109.db2.gz NXJNCRNKMXRNET-MOPGFXCFSA-N 1 0 342.395 3.079 20 5 EGBDRO CC(C)(CNC(=O)c1cccc([N+](=O)[O-])c1Cl)C[NH+]1CCCC1 ZINC000861303077 1329406543 /nfs/dbraw/zinc/40/65/43/1329406543.db2.gz ZQQMNLBCDIHMLO-UHFFFAOYSA-N 1 0 339.823 3.100 20 5 EGBDRO CN(C(=O)c1cccc([N+](=O)[O-])c1Cl)C(C)(C)C[NH+]1CCCC1 ZINC000862012128 1329454787 /nfs/dbraw/zinc/45/47/87/1329454787.db2.gz KFYXMOHDQFVYJK-UHFFFAOYSA-N 1 0 339.823 3.195 20 5 EGBDRO COCCC1CC[NH+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)CC1 ZINC000863270857 1329542838 /nfs/dbraw/zinc/54/28/38/1329542838.db2.gz QLAOLFIOMWFSHB-UHFFFAOYSA-N 1 0 344.415 3.164 20 5 EGBDRO C[C@@H]([NH3+])CN(C)Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000863652517 1329570937 /nfs/dbraw/zinc/57/09/37/1329570937.db2.gz TZSUPNSFLCWOQP-CQSZACIVSA-N 1 0 328.416 3.142 20 5 EGBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2C(F)F)CC[N@@H+](C2CC2)C1 ZINC000865839836 1329744212 /nfs/dbraw/zinc/74/42/12/1329744212.db2.gz VBHXQDUEYGADOU-NSHDSACASA-N 1 0 325.359 3.453 20 5 EGBDRO C[NH+](C)CCN(C(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000932693555 1329833928 /nfs/dbraw/zinc/83/39/28/1329833928.db2.gz SVPWCNIXMOBUTO-MSOLQXFVSA-N 1 0 345.443 3.031 20 5 EGBDRO Cc1noc(C)c1C[C@H](C)[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866269672 1330088255 /nfs/dbraw/zinc/08/82/55/1330088255.db2.gz YAVBZHPTMDOZBL-QWRGUYRKSA-N 1 0 335.379 3.491 20 5 EGBDRO CC(C)[C@H](C[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-])c1ccnn1C ZINC000866345692 1330099453 /nfs/dbraw/zinc/09/94/53/1330099453.db2.gz BLZAZEPFWDUDGN-CJNGLKHVSA-N 1 0 348.422 3.428 20 5 EGBDRO O=C(NC1CCC([NH+]2CCCCC2)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000866412223 1330108493 /nfs/dbraw/zinc/10/84/93/1330108493.db2.gz CIGGKQINDYMZMB-UHFFFAOYSA-N 1 0 349.406 3.261 20 5 EGBDRO C[C@H]([NH2+]Cc1cc2c([nH]c1=O)CCCC2)c1ccc([N+](=O)[O-])cc1 ZINC000866639831 1330136970 /nfs/dbraw/zinc/13/69/70/1330136970.db2.gz AVCJIVDQHAHDEQ-LBPRGKRZSA-N 1 0 327.384 3.425 20 5 EGBDRO Cc1ccc([C@H](C)NC(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)s1 ZINC000867942602 1330230775 /nfs/dbraw/zinc/23/07/75/1330230775.db2.gz DDSCKLWOKOVPRR-ZBEGNZNMSA-N 1 0 333.413 3.016 20 5 EGBDRO CCCC(=O)N1CC[C@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3)C[C@H]2CC1 ZINC000946439801 1332826882 /nfs/dbraw/zinc/82/68/82/1332826882.db2.gz SBUGSQZBSNSIDC-CALCHBBNSA-N 1 0 345.443 3.065 20 5 EGBDRO O=C(C=C1CCC1)N[C@H]1CC[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001034624909 1342657478 /nfs/dbraw/zinc/65/74/78/1342657478.db2.gz XPVLTENVHHOCFW-QAQDUYKDSA-N 1 0 343.427 3.222 20 5 EGBDRO C[C@H]1CC[NH2+]CC[C@H]1Oc1ccc([N+](=O)[O-])cc1Br ZINC001218026565 1373541404 /nfs/dbraw/zinc/54/14/04/1373541404.db2.gz IWXHHTYADUWYLP-JOYOIKCWSA-N 1 0 329.194 3.124 20 5 EGBDRO Cc1cc(Br)cc([N+](=O)[O-])c1O[C@@H]1CCC2(C[NH2+]C2)C1 ZINC001218236844 1373581376 /nfs/dbraw/zinc/58/13/76/1373581376.db2.gz DFUVBIPBCYTQQR-LLVKDONJSA-N 1 0 341.205 3.187 20 5 EGBDRO O=C(NC[C@H]1CC[C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1)C1CC1 ZINC001048594645 1347611636 /nfs/dbraw/zinc/61/16/36/1347611636.db2.gz LLYSRUCORQHGDB-SHTZXODSSA-N 1 0 345.443 3.017 20 5 EGBDRO CS[C@@H]1CC[C@H]([N@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC001323293074 1387326146 /nfs/dbraw/zinc/32/61/46/1387326146.db2.gz SSVIHINULDGONV-DZGCQCFKSA-N 1 0 338.429 3.177 20 5 EGBDRO CC1(C)CC(C(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccccc3[N+](=O)[O-])C2)C1 ZINC001086358107 1359076164 /nfs/dbraw/zinc/07/61/64/1359076164.db2.gz QHNLRHXCLWGRLV-SAZUREKKSA-N 1 0 345.443 3.015 20 5 EGBDRO CC1(C)[C@H]([NH2+]CCCOc2ccc([N+](=O)[O-])cc2)[C@H]2CCCO[C@@H]21 ZINC001119305106 1371302475 /nfs/dbraw/zinc/30/24/75/1371302475.db2.gz BMQOYMKUCMVHFM-ZACQAIPSSA-N 1 0 334.416 3.157 20 5 EGBDRO CC(C)c1ccccc1C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001128869695 1373318869 /nfs/dbraw/zinc/31/88/69/1373318869.db2.gz OAIVTCGTVSEXST-UHFFFAOYSA-N 1 0 341.411 3.238 20 5 EGBDRO Cc1c(Cl)cc([N+](=O)[O-])c(OC2CC[NH2+]CC2)c1Br ZINC001217963832 1373521205 /nfs/dbraw/zinc/52/12/05/1373521205.db2.gz SXKFVJVBUYUYLN-UHFFFAOYSA-N 1 0 349.612 3.450 20 5 EGBDRO O=c1c2ccccc2oc2cc(O[C@H]3C[NH2+]CCC[C@@H]3F)ccc12 ZINC001217978176 1373523952 /nfs/dbraw/zinc/52/39/52/1373523952.db2.gz ACSHKWZGHGJYOG-YJBOKZPZSA-N 1 0 327.355 3.415 20 5 EGBDRO C[C@@H]1C[NH2+]CCC[C@H]1Oc1c(Br)cc(F)cc1[N+](=O)[O-] ZINC001217995782 1373530557 /nfs/dbraw/zinc/53/05/57/1373530557.db2.gz YWRNZCNVXJSKOE-PRHODGIISA-N 1 0 347.184 3.263 20 5 EGBDRO CC(C)(C)c1cc([N+](=O)[O-])c(O[C@H]2CCC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC001217998642 1373531010 /nfs/dbraw/zinc/53/10/10/1373531010.db2.gz BZPNCQKWUKVVKL-LBPRGKRZSA-N 1 0 337.376 3.321 20 5 EGBDRO Cc1cc(O[C@@H]2CC[NH2+]CC[C@H]2F)c([N+](=O)[O-])cc1Br ZINC001218015759 1373538531 /nfs/dbraw/zinc/53/85/31/1373538531.db2.gz MYRSFXWXONDPRV-ZYHUDNBSSA-N 1 0 347.184 3.135 20 5 EGBDRO C[C@H]1CC[NH2+]CC[C@@H]1Oc1ccc([N+](=O)[O-])c(Br)c1 ZINC001218029430 1373542764 /nfs/dbraw/zinc/54/27/64/1373542764.db2.gz LBZNZFFGIKLVSO-ZANVPECISA-N 1 0 329.194 3.124 20 5 EGBDRO C[C@H]1C[C@H](Oc2c([N+](=O)[O-])cc(C(C)(C)C)cc2[N+](=O)[O-])CC[NH2+]1 ZINC001218062401 1373549951 /nfs/dbraw/zinc/54/99/51/1373549951.db2.gz SYXQWJRTWZJYNM-CMPLNLGQSA-N 1 0 337.376 3.320 20 5 EGBDRO O=[N+]([O-])c1cc(OC(F)(F)F)ccc1O[C@H]1CCC[C@@]12CC[NH2+]C2 ZINC001218096887 1373560001 /nfs/dbraw/zinc/56/00/01/1373560001.db2.gz VFKKDHLQLVQQFT-KBPBESRZSA-N 1 0 346.305 3.404 20 5 EGBDRO O=[N+]([O-])c1ccc(O[C@H]2CCC[C@]23CC[NH2+]C3)cc1Br ZINC001218097278 1373560173 /nfs/dbraw/zinc/56/01/73/1373560173.db2.gz WLARBFKFHLYCSU-UONOGXRCSA-N 1 0 341.205 3.268 20 5 EGBDRO O=[N+]([O-])c1ccc(O[C@H]2CSC3(C[NH2+]C3)C2)c(Cl)c1Cl ZINC001218099497 1373560924 /nfs/dbraw/zinc/56/09/24/1373560924.db2.gz HUPMUKSQMPBGML-SSDOTTSWSA-N 1 0 335.212 3.128 20 5 EGBDRO O=[N+]([O-])c1cc(OC(F)(F)F)ccc1OC1CC2(C1)CC[NH2+]CC2 ZINC001218103487 1373561466 /nfs/dbraw/zinc/56/14/66/1373561466.db2.gz PSMHYRNWUOPJFS-UHFFFAOYSA-N 1 0 346.305 3.404 20 5 EGBDRO O=[N+]([O-])c1cc(OC(F)(F)F)ccc1O[C@H]1CC[C@]12CC[NH2+]C2 ZINC001218121327 1373564930 /nfs/dbraw/zinc/56/49/30/1373564930.db2.gz XYGOQDQOCFYZIJ-QWHCGFSZSA-N 1 0 332.278 3.014 20 5 EGBDRO Cc1cc(Br)c(O[C@@H]2C[C@H]3CC[NH2+][C@H]3C2)cc1[N+](=O)[O-] ZINC001218248134 1373583146 /nfs/dbraw/zinc/58/31/46/1373583146.db2.gz DJNZNCVHYWTSKP-FOGDFJRCSA-N 1 0 341.205 3.185 20 5 EGBDRO O=[N+]([O-])c1ccc(Br)cc1OC1CC2(C1)CCC[NH2+]C2 ZINC001218252151 1373583834 /nfs/dbraw/zinc/58/38/34/1373583834.db2.gz QBINDKBUNPZGKM-UHFFFAOYSA-N 1 0 341.205 3.268 20 5 EGBDRO CC1(C)C[NH2+]CC[C@@H]1Oc1cnc2ccc(=O)n3c4ccccc4c1c23 ZINC001218317902 1373594323 /nfs/dbraw/zinc/59/43/23/1373594323.db2.gz RMDKIWZSTAZLHI-KRWDZBQOSA-N 1 0 347.418 3.206 20 5 EGBDRO C[C@@H]1CC[C@H](Oc2c([N+](=O)[O-])cc(C(C)(C)C)cc2[N+](=O)[O-])C[NH2+]1 ZINC001218397421 1373606609 /nfs/dbraw/zinc/60/66/09/1373606609.db2.gz DMYVIYMNUAIOPE-PWSUYJOCSA-N 1 0 337.376 3.320 20 5 EGBDRO C[C@@H]1CC[C@@H](Oc2c3ccccc3c([N+](=O)[O-])cc2[N+](=O)[O-])C[NH2+]1 ZINC001218409141 1373609787 /nfs/dbraw/zinc/60/97/87/1373609787.db2.gz WZSGRIZRFVUZCU-GHMZBOCLSA-N 1 0 331.328 3.176 20 5 EGBDRO CC1(C)C[C@@H](Oc2cccc([N+](=O)[O-])c2Br)CC[NH2+]1 ZINC001218471716 1373620360 /nfs/dbraw/zinc/62/03/60/1373620360.db2.gz ARLKAEVZCHZDTB-VIFPVBQESA-N 1 0 329.194 3.267 20 5 EGBDRO O=[N+]([O-])c1ccc(NCC[NH+]2CC=CC2)nc1-c1ccc(F)cc1 ZINC001326915641 1388350266 /nfs/dbraw/zinc/35/02/66/1388350266.db2.gz OCLDXNKDFDWTHC-UHFFFAOYSA-N 1 0 328.347 3.080 20 5 EGBDRO CC(C)[NH+]1CCC(Oc2ncc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC001225847682 1375164104 /nfs/dbraw/zinc/16/41/04/1375164104.db2.gz REWUVHHXAUCQAH-UHFFFAOYSA-N 1 0 333.310 3.260 20 5 EGBDRO Cc1cc([N+](=O)[O-])cnc1OC1CC[NH+](Cc2ccccc2)CC1 ZINC001226760490 1375326784 /nfs/dbraw/zinc/32/67/84/1375326784.db2.gz AOLPMQQHBFGYFI-UHFFFAOYSA-N 1 0 327.384 3.342 20 5 EGBDRO COCC[NH+]1CCC(Oc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)CC1 ZINC001226963867 1375372715 /nfs/dbraw/zinc/37/27/15/1375372715.db2.gz IKKAJMMVEOOAJF-UHFFFAOYSA-N 1 0 348.321 3.103 20 5 EGBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc(-c2ccccc2)cc1Cl ZINC001227718985 1375465092 /nfs/dbraw/zinc/46/50/92/1375465092.db2.gz GZGBVIBCBMGDKE-MRXNPFEDSA-N 1 0 348.850 3.370 20 5 EGBDRO CCOC(=O)c1ccc(Br)cc1O[C@@H](C)C[N+](C)(C)C ZINC001227768508 1375473305 /nfs/dbraw/zinc/47/33/05/1375473305.db2.gz FBWBMIYPMAIGCX-NSHDSACASA-N 1 0 345.257 3.099 20 5 EGBDRO CC[NH+]1CCC(Oc2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC001229147112 1375774521 /nfs/dbraw/zinc/77/45/21/1375774521.db2.gz YOYRIRMTMCKJPI-UHFFFAOYSA-N 1 0 329.194 3.220 20 5 EGBDRO Cc1cc(Cl)ccc1C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001133249040 1375868764 /nfs/dbraw/zinc/86/87/64/1375868764.db2.gz VHSPNVVGMURGQX-UHFFFAOYSA-N 1 0 347.802 3.076 20 5 EGBDRO CC[N@@H+]1C[C@@H](C)N(c2ncnc3c(Cl)cc([N+](=O)[O-])cc32)C[C@H]1C ZINC001327688381 1388583391 /nfs/dbraw/zinc/58/33/91/1388583391.db2.gz PBQVOBOFOORILG-GHMZBOCLSA-N 1 0 349.822 3.110 20 5 EGBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1cccc2ccccc21 ZINC001149717618 1379435924 /nfs/dbraw/zinc/43/59/24/1379435924.db2.gz QUPOBRIADGTTEF-UHFFFAOYSA-N 1 0 349.390 3.268 20 5 EGBDRO CCC1(C(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)CCCCC1 ZINC001152054288 1379852340 /nfs/dbraw/zinc/85/23/40/1379852340.db2.gz YZNYJKZEERPAFS-UHFFFAOYSA-N 1 0 339.461 3.223 20 5 EGBDRO CC[NH+]1CCC(Nc2ncnc3c(Cl)cc([N+](=O)[O-])cc23)CC1 ZINC001327957196 1388633607 /nfs/dbraw/zinc/63/36/07/1388633607.db2.gz MJFQFQATNCZSSI-UHFFFAOYSA-N 1 0 335.795 3.088 20 5 EGBDRO O=[N+]([O-])c1cc2nc(Cl)ccc2cc1N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC001155408883 1380448278 /nfs/dbraw/zinc/44/82/78/1380448278.db2.gz FGXIJGVPBRJRIR-GOEBONIOSA-N 1 0 332.791 3.493 20 5 EGBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2CC[NH2+]C[C@H]2c2cccs2)n1 ZINC001156098052 1380524873 /nfs/dbraw/zinc/52/48/73/1380524873.db2.gz NOEKQKFMDAVHEB-NSHDSACASA-N 1 0 338.820 3.164 20 5 EGBDRO C[N@@H+]1CCC[C@H](CCNc2cc([N+](=O)[O-])cc3c(Cl)ncnc23)C1 ZINC001156386058 1380568780 /nfs/dbraw/zinc/56/87/80/1380568780.db2.gz NTWRGQPFCYWWQC-LLVKDONJSA-N 1 0 349.822 3.335 20 5 EGBDRO C[C@@H]1CCCC[N@@H+]1CCCNc1nc(Cl)nc(Cl)c1[N+](=O)[O-] ZINC001156929576 1380732512 /nfs/dbraw/zinc/73/25/12/1380732512.db2.gz YWOLFFAQHIZFOU-SECBINFHSA-N 1 0 348.234 3.368 20 5 EGBDRO C[N@@H+]1CCC[C@H]2CN(c3cc(Cl)nc4ccc([N+](=O)[O-])cc43)C[C@@H]21 ZINC001157272938 1380829263 /nfs/dbraw/zinc/82/92/63/1380829263.db2.gz SVIFJWFSIDGNNS-ZBEGNZNMSA-N 1 0 346.818 3.327 20 5 EGBDRO O=[N+]([O-])c1cnc(Cl)cc1N(Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC001157426106 1380882079 /nfs/dbraw/zinc/88/20/79/1380882079.db2.gz OBWWETONSBBHBR-CQSZACIVSA-N 1 0 346.818 3.402 20 5 EGBDRO Cc1ccnc(N(Cc2ccccc2)[C@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC001157427617 1380883900 /nfs/dbraw/zinc/88/39/00/1380883900.db2.gz ZJZKLCKMYOCASJ-INIZCTEOSA-N 1 0 326.400 3.057 20 5 EGBDRO CC(C)[NH+]1CC(Nc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)C1 ZINC001157530556 1380957736 /nfs/dbraw/zinc/95/77/36/1380957736.db2.gz ZYQHICQSTJNCMD-UHFFFAOYSA-N 1 0 330.363 3.300 20 5 EGBDRO C[NH+](C)[C@H]1CCCC[C@@H]1NC(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1 ZINC001157795552 1381035432 /nfs/dbraw/zinc/03/54/32/1381035432.db2.gz PCCBYZYGODAXFG-UWVGGRQHSA-N 1 0 348.781 3.155 20 5 EGBDRO C[NH2+]CCN(c1ccc(-c2ccc(F)c([N+](=O)[O-])c2)nn1)C(C)(C)C ZINC001157833367 1381047038 /nfs/dbraw/zinc/04/70/38/1381047038.db2.gz LOTWOVVVIRENOC-UHFFFAOYSA-N 1 0 347.394 3.015 20 5 EGBDRO Cc1ccnc(-n2c(CCC[NH3+])nc3ccc(Cl)cc32)c1[N+](=O)[O-] ZINC001158135314 1381137827 /nfs/dbraw/zinc/13/78/27/1381137827.db2.gz YHESLBFCZPQJMV-UHFFFAOYSA-N 1 0 345.790 3.182 20 5 EGBDRO C[N@@H+]1CCN(c2nc3ccccc3cc2[N+](=O)[O-])C2(CCCC2)C1 ZINC001158410320 1381235275 /nfs/dbraw/zinc/23/52/75/1381235275.db2.gz QHGIDTVCBRBDAD-UHFFFAOYSA-N 1 0 326.400 3.208 20 5 EGBDRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1c1ncc(F)cc1[N+](=O)[O-] ZINC001158524125 1381281674 /nfs/dbraw/zinc/28/16/74/1381281674.db2.gz QBGNOGPJLUWGFQ-ZIAGYGMSSA-N 1 0 344.390 3.228 20 5 EGBDRO [NH3+]Cc1ccc2c(n1)N(c1nccc3cc([N+](=O)[O-])ccc31)CCC2 ZINC001158655647 1381338580 /nfs/dbraw/zinc/33/85/80/1381338580.db2.gz IZDVCBHBEGCUHD-UHFFFAOYSA-N 1 0 335.367 3.081 20 5 EGBDRO Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1c(Cl)[n+]([O-])ccc1[N+](=O)[O-] ZINC001158731371 1381373714 /nfs/dbraw/zinc/37/37/14/1381373714.db2.gz XFBSUQWWCOFVFC-GFCCVEGCSA-N 1 0 348.790 3.122 20 5 EGBDRO Cc1cc(-n2cc(CC[NH3+])c3ncccc32)nc2ccc([N+](=O)[O-])cc12 ZINC001158745248 1381379582 /nfs/dbraw/zinc/37/95/82/1381379582.db2.gz DDSNVYLEIFUVBO-UHFFFAOYSA-N 1 0 347.378 3.292 20 5 EGBDRO CCCC(=O)NCCC1=CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001159080029 1381564550 /nfs/dbraw/zinc/56/45/50/1381564550.db2.gz OOCDZHAKDZRPFB-UHFFFAOYSA-N 1 0 331.416 3.033 20 5 EGBDRO CC1CC[NH+](CCc2nnc(/C=C\c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC001328380006 1388733784 /nfs/dbraw/zinc/73/37/84/1388733784.db2.gz KSXQALRWHASWLB-DAXSKMNVSA-N 1 0 342.399 3.423 20 5 EGBDRO Nc1ccccc1N(CC1CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC001159894447 1381931218 /nfs/dbraw/zinc/93/12/18/1381931218.db2.gz BUAUHXUFHFSTPU-UHFFFAOYSA-N 1 0 326.400 3.315 20 5 EGBDRO O=[N+]([O-])c1cc(Nc2c(F)cccc2O[C@@H]2CC[NH2+]C2)ccc1F ZINC001160129912 1382006450 /nfs/dbraw/zinc/00/64/50/1382006450.db2.gz MKUIWPQCGGUNCJ-LLVKDONJSA-N 1 0 335.310 3.357 20 5 EGBDRO [NH3+]Cc1cccc2ccn(-c3nc(Cl)nc(Cl)c3[N+](=O)[O-])c21 ZINC001160456792 1382109147 /nfs/dbraw/zinc/10/91/47/1382109147.db2.gz RGJCDMQWVWBFJG-UHFFFAOYSA-N 1 0 338.154 3.094 20 5 EGBDRO COc1cccc2c1c(C[NH3+])cn2-c1cc([N+](=O)[O-])cc(Cl)n1 ZINC001160759471 1382188654 /nfs/dbraw/zinc/18/86/54/1382188654.db2.gz IGDWJIZILNNIKV-UHFFFAOYSA-N 1 0 332.747 3.054 20 5 EGBDRO O=[N+]([O-])c1cc2ccccc2nc1NC[C@]1(CC2CC2)CCC[NH2+]1 ZINC001162350880 1382737692 /nfs/dbraw/zinc/73/76/92/1382737692.db2.gz QARHSAHQLSLKCK-GOSISDBHSA-N 1 0 326.400 3.477 20 5 EGBDRO O=[N+]([O-])c1ccc2c(ccnc2NC[C@]2(CC3CC3)CCC[NH2+]2)c1 ZINC001162353024 1382739270 /nfs/dbraw/zinc/73/92/70/1382739270.db2.gz GSZYXHLTNFHFLH-GOSISDBHSA-N 1 0 326.400 3.477 20 5 EGBDRO COc1nc(NCC[PH+](C(C)C)C(C)C)nc(OC)c1[N+](=O)[O-] ZINC001162357598 1382740078 /nfs/dbraw/zinc/74/00/78/1382740078.db2.gz CAHYHAWVIUVGMV-UHFFFAOYSA-N 1 0 344.352 3.113 20 5 EGBDRO C[C@@H]1C[NH2+]CCC[C@@H]1CNc1ncc(F)c2cc([N+](=O)[O-])ccc21 ZINC001162461886 1382763847 /nfs/dbraw/zinc/76/38/47/1382763847.db2.gz RPSLCFVSXOWJRL-VXGBXAGGSA-N 1 0 332.379 3.330 20 5 EGBDRO Cc1cc(N[C@@]23CCC[C@@H]2[NH2+]CC3)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001162984131 1382937086 /nfs/dbraw/zinc/93/70/86/1382937086.db2.gz STDHYTHWWRRYNY-MAUKXSAKSA-N 1 0 339.399 3.057 20 5 EGBDRO O=[N+]([O-])c1cc(NCC[C@H]2C[NH2+]Cc3cccn3C2)cc2cc[nH]c21 ZINC001163061634 1382958871 /nfs/dbraw/zinc/95/88/71/1382958871.db2.gz ZJDYAUWFMWYQND-ZDUSSCGKSA-N 1 0 339.399 3.099 20 5 EGBDRO O=[N+]([O-])c1cccc2cnc(N[C@@H]3CC[NH2+][C@H]3c3ccccc3)nc21 ZINC001163211538 1382994441 /nfs/dbraw/zinc/99/44/41/1382994441.db2.gz JCNXSUKZFPLKGT-ZBFHGGJFSA-N 1 0 335.367 3.053 20 5 EGBDRO O=[N+]([O-])c1cccc2c(N[C@H]3C[NH2+]Cc4ccsc43)ccnc21 ZINC001163229756 1382999923 /nfs/dbraw/zinc/99/99/23/1382999923.db2.gz KYUWRNHAOBEUNW-ZDUSSCGKSA-N 1 0 326.381 3.461 20 5 EGBDRO c1cnc2c(c1)cc(NC[C@@H]1CO[C@]3(C1)CCC[NH2+]C3)c1cccnc12 ZINC001163284120 1383012467 /nfs/dbraw/zinc/01/24/67/1383012467.db2.gz KJASGEFKNQCOIF-VFNWGFHPSA-N 1 0 348.450 3.354 20 5 EGBDRO [NH3+]C[C@@H](Nc1nc(Cl)cc(Cl)c1[N+](=O)[O-])c1ccccc1 ZINC001163294173 1383014505 /nfs/dbraw/zinc/01/45/05/1383014505.db2.gz KHEYRTPNCMQGAM-SNVBAGLBSA-N 1 0 327.171 3.409 20 5 EGBDRO O=[N+]([O-])c1cc(F)cnc1NC1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC001163315900 1383019630 /nfs/dbraw/zinc/01/96/30/1383019630.db2.gz UCOGFKOQQJHDAN-ZDUSSCGKSA-N 1 0 334.395 3.362 20 5 EGBDRO CN(CCC[NH+](C)C)c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)nn1 ZINC001163600830 1383086930 /nfs/dbraw/zinc/08/69/30/1383086930.db2.gz SUUIEIVXHJVJFA-UHFFFAOYSA-N 1 0 349.822 3.093 20 5 EGBDRO C[N@@H+]1CCN(c2cc(Cl)cc([N+](=O)[O-])n2)[C@@H](c2ccccc2)C1 ZINC001163669292 1383100668 /nfs/dbraw/zinc/10/06/68/1383100668.db2.gz MFJBBPGSSOHDNW-CQSZACIVSA-N 1 0 332.791 3.136 20 5 EGBDRO C[C@H]1CC[C@H](C[NH3+])N(c2cc(Cl)nc3ccc([N+](=O)[O-])cc32)C1 ZINC001164072901 1383152961 /nfs/dbraw/zinc/15/29/61/1383152961.db2.gz FEAYJNKCOKHEGZ-CMPLNLGQSA-N 1 0 334.807 3.360 20 5 EGBDRO C[C@@H]1CC[C@H](C[NH3+])N(c2cc(Cl)nc3ccc([N+](=O)[O-])cc32)C1 ZINC001164072904 1383153163 /nfs/dbraw/zinc/15/31/63/1383153163.db2.gz FEAYJNKCOKHEGZ-ZYHUDNBSSA-N 1 0 334.807 3.360 20 5 EGBDRO C[C@@H]1CC[C@H](C[NH3+])N(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)C1 ZINC001164077877 1383153449 /nfs/dbraw/zinc/15/34/49/1383153449.db2.gz KXYZJJTVQAWEKP-IUODEOHRSA-N 1 0 344.390 3.360 20 5 EGBDRO CC[NH+]1CCC(N(C)C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)CC1 ZINC001165067677 1383221233 /nfs/dbraw/zinc/22/12/33/1383221233.db2.gz HEDBGDOMCLVJNK-UHFFFAOYSA-N 1 0 348.781 3.109 20 5 EGBDRO O=[N+]([O-])/C=C\c1ccc(Nc2ccc(CN3CC[NH2+]CC3)cc2)cc1 ZINC001165213241 1383249608 /nfs/dbraw/zinc/24/96/08/1383249608.db2.gz QNAGFGHKBAOPHA-XFXZXTDPSA-N 1 0 338.411 3.083 20 5 EGBDRO O=[N+]([O-])c1c[nH]c2nc(NCC3C[NH+](Cc4ccccc4)C3)ccc12 ZINC001165427119 1383293612 /nfs/dbraw/zinc/29/36/12/1383293612.db2.gz JPAMVMCEGNUTIO-UHFFFAOYSA-N 1 0 337.383 3.015 20 5 EGBDRO CCC1(C(=O)NCCC2(C[NH2+]Cc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC001167051410 1383527971 /nfs/dbraw/zinc/52/79/71/1383527971.db2.gz KOBSYFNVSJZTOQ-UHFFFAOYSA-N 1 0 345.443 3.161 20 5 EGBDRO [NH3+]Cc1cnc2c(ccn2-c2cc(C(F)(F)F)ccc2[N+](=O)[O-])c1 ZINC001167311183 1383593120 /nfs/dbraw/zinc/59/31/20/1383593120.db2.gz FUGSGOIIZWALMG-UHFFFAOYSA-N 1 0 336.273 3.411 20 5 EGBDRO CCOC(=O)c1cc(N2C(C)(C)CC([NH3+])CC2(C)C)ccc1[N+](=O)[O-] ZINC001167626385 1383692875 /nfs/dbraw/zinc/69/28/75/1383692875.db2.gz IYNXWCMXANAILS-UHFFFAOYSA-N 1 0 349.431 3.256 20 5 EGBDRO [NH3+]CCc1cn(-c2cc3cc[nH]c3c([N+](=O)[O-])c2)c2ccc(O)cc12 ZINC001167985598 1383787354 /nfs/dbraw/zinc/78/73/54/1383787354.db2.gz IEAYPFYFPPXDOP-UHFFFAOYSA-N 1 0 336.351 3.227 20 5 EGBDRO CCOc1cc([N+](=O)[O-])ccc1-n1cc(CC[NH3+])c2cc(O)ccc21 ZINC001167986536 1383788407 /nfs/dbraw/zinc/78/84/07/1383788407.db2.gz YTMJYIBBSNTPND-UHFFFAOYSA-N 1 0 341.367 3.144 20 5 EGBDRO [NH3+]CC[C@@H]1CN(c2ncc3cccc([N+](=O)[O-])c3n2)c2ccccc21 ZINC001168544660 1383934267 /nfs/dbraw/zinc/93/42/67/1383934267.db2.gz PVCFMBPWIJLFKS-CYBMUJFWSA-N 1 0 335.367 3.122 20 5 EGBDRO CC(=O)Nc1ccc(N2C[C@@H](CC[NH3+])c3ccccc32)cc1[N+](=O)[O-] ZINC001168548960 1383934432 /nfs/dbraw/zinc/93/44/32/1383934432.db2.gz QNFGICNXJZRHIZ-CYBMUJFWSA-N 1 0 340.383 3.137 20 5 EGBDRO CCOC(=O)c1ccc(N[C@H]2CCCC[C@@H]2[NH+](C)C)c([N+](=O)[O-])c1 ZINC001168601505 1383945778 /nfs/dbraw/zinc/94/57/78/1383945778.db2.gz RVYWTXHPJWQKDM-ZFWWWQNUSA-N 1 0 335.404 3.056 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(OC(C)C)cc1-n1cnc2ccc(C[NH3+])cc21 ZINC001168847206 1384033326 /nfs/dbraw/zinc/03/33/26/1384033326.db2.gz YGWKGLRJJSOYNJ-UHFFFAOYSA-N 1 0 340.383 3.488 20 5 EGBDRO CC(C)(C)OC(=O)NCCCCCC[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168960769 1384071795 /nfs/dbraw/zinc/07/17/95/1384071795.db2.gz GZCABNGWLCNLOY-GJZGRUSLSA-N 1 0 343.468 3.107 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H](c2ccccc2)[C@H](O)c2ccccc2)C1 ZINC001168965026 1384072914 /nfs/dbraw/zinc/07/29/14/1384072914.db2.gz XKERKSDGZFXBHR-GEALJGNFSA-N 1 0 340.423 3.496 20 5 EGBDRO COc1ccc(OC(F)(F)F)cc1C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168970904 1384074609 /nfs/dbraw/zinc/07/46/09/1384074609.db2.gz JGQQENFWNUFPPU-JQWIXIFHSA-N 1 0 348.321 3.129 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H](c2cccc(F)c2)C2CCOCC2)C1 ZINC001168986113 1384079701 /nfs/dbraw/zinc/07/97/01/1384079701.db2.gz VXCCPUZIZPACAS-XWIAVFTESA-N 1 0 336.407 3.328 20 5 EGBDRO O=C(C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccc(F)c(C(F)(F)F)c1 ZINC001168988896 1384079894 /nfs/dbraw/zinc/07/98/94/1384079894.db2.gz UVAIQKDVSCDPEB-MWLCHTKSSA-N 1 0 348.296 3.062 20 5 EGBDRO CC(C)C[C@@H](CC(=O)OC(C)(C)C)[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168986860 1384080219 /nfs/dbraw/zinc/08/02/19/1384080219.db2.gz FNLPVIJXJAFZBP-KKUMJFAQSA-N 1 0 328.453 3.168 20 5 EGBDRO Cc1cc(F)ccc1CN1CCC([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168990717 1384080425 /nfs/dbraw/zinc/08/04/25/1384080425.db2.gz DRCWPYLLIRDZTI-KXBFYZLASA-N 1 0 349.450 3.134 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CCc2ccc(Br)s2)C1 ZINC001169005863 1384086449 /nfs/dbraw/zinc/08/64/49/1384086449.db2.gz VENBPIISCOTFBM-UWVGGRQHSA-N 1 0 333.251 3.088 20 5 EGBDRO C[N@H+](CCc1cccc(C(F)(F)F)n1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169009063 1384086841 /nfs/dbraw/zinc/08/68/41/1384086841.db2.gz UUAIJOZINIXBEU-DGCLKSJQSA-N 1 0 331.338 3.020 20 5 EGBDRO O=C(OCc1ccccc1)[C@@H]1CCCC[N@H+]1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169007750 1384087365 /nfs/dbraw/zinc/08/73/65/1384087365.db2.gz PYTFDJLEYJXRAQ-SQNIBIBYSA-N 1 0 346.427 3.030 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@@H](N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC001169011271 1384088876 /nfs/dbraw/zinc/08/88/76/1384088876.db2.gz JCPHGMMGSFQYRC-NMLBUPMWSA-N 1 0 343.471 3.028 20 5 EGBDRO CCC[N@H+]([C@H](C)C(=O)Nc1ccccc1C)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169035481 1384095185 /nfs/dbraw/zinc/09/51/85/1384095185.db2.gz BKPTYCWPDZTCTH-IXDOHACOSA-N 1 0 347.459 3.479 20 5 EGBDRO CCC[N@H+]([C@@H](C)C(=O)Nc1ccccc1C)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169035480 1384095448 /nfs/dbraw/zinc/09/54/48/1384095448.db2.gz BKPTYCWPDZTCTH-GVDBMIGSSA-N 1 0 347.459 3.479 20 5 EGBDRO C[C@H]1CCN(Cc2ccccc2)C[C@H]1[N@H+](C)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169037218 1384097070 /nfs/dbraw/zinc/09/70/70/1384097070.db2.gz REKUVUIQGXILNI-IJXRJRJASA-N 1 0 345.487 3.274 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2CCc3ccc(OC(F)(F)F)cc3C2)C1 ZINC001169044578 1384099007 /nfs/dbraw/zinc/09/90/07/1384099007.db2.gz IKXFHAVVRRREDS-SMDDNHRTSA-N 1 0 344.333 3.389 20 5 EGBDRO COc1cccc(C[C@@H]2CCC[N@@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C2)c1 ZINC001169050007 1384100799 /nfs/dbraw/zinc/10/07/99/1384100799.db2.gz XVONBSVZIOXOTG-OKZBNKHCSA-N 1 0 332.444 3.395 20 5 EGBDRO COC(=O)c1cccc([C@@H]2CCC[N@@H+]2[C@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001169056312 1384101508 /nfs/dbraw/zinc/10/15/08/1384101508.db2.gz RMUDJPHSQDFMCU-JQFCIGGWSA-N 1 0 332.400 3.056 20 5 EGBDRO CC1(C)C[C@H](Nc2c(Cl)cncc2[N+](=O)[O-])C[C@@](C)(C[NH3+])C1 ZINC001169143564 1384113621 /nfs/dbraw/zinc/11/36/21/1384113621.db2.gz KPHNTHJQVPOXKE-ZUZCIYMTSA-N 1 0 326.828 3.021 20 5 EGBDRO COC(=O)c1cc(N[C@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)cc([N+](=O)[O-])c1 ZINC001169153433 1384115983 /nfs/dbraw/zinc/11/59/83/1384115983.db2.gz SSSOTGYGKVRGDP-KSSFIOAISA-N 1 0 349.431 3.337 20 5 EGBDRO Cc1cc(Cl)c(-n2cc(CC[NH3+])c3ncccc32)c([N+](=O)[O-])c1 ZINC001169712121 1384176578 /nfs/dbraw/zinc/17/65/78/1384176578.db2.gz YWHLFJLOBSDWMD-UHFFFAOYSA-N 1 0 330.775 3.397 20 5 EGBDRO COC(=O)c1cc([N+](=O)[O-])c(Cl)cc1NC(C)(C)CC[NH+](C)C ZINC001169717675 1384177653 /nfs/dbraw/zinc/17/76/53/1384177653.db2.gz IQIGVZLALGAIQE-UHFFFAOYSA-N 1 0 343.811 3.177 20 5 EGBDRO O=[N+]([O-])c1cc(F)cc2ccc(NCC34CC[NH+](CC3)CC4)nc21 ZINC001169795598 1384187101 /nfs/dbraw/zinc/18/71/01/1384187101.db2.gz PZOHMQXHVWASMI-UHFFFAOYSA-N 1 0 330.363 3.180 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+]CCOc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC001170297165 1384285082 /nfs/dbraw/zinc/28/50/82/1384285082.db2.gz LGPOUJSUXUKWFU-ZDUSSCGKSA-N 1 0 348.374 3.342 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+]CCOc2ccccc2)c([N+](=O)[O-])c1 ZINC001170299158 1384285178 /nfs/dbraw/zinc/28/51/78/1384285178.db2.gz RGQVABGRMGRGPH-CQSZACIVSA-N 1 0 330.384 3.203 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+]CCN(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC001170297593 1384285387 /nfs/dbraw/zinc/28/53/87/1384285387.db2.gz QJEQUTBDCVKSRI-HNNXBMFYSA-N 1 0 343.427 3.260 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+]Cc2ccc(F)cc2OC)c([N+](=O)[O-])c1 ZINC001170304303 1384286394 /nfs/dbraw/zinc/28/63/94/1384286394.db2.gz BFOCCBUTWSZEKD-LBPRGKRZSA-N 1 0 348.374 3.472 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+]CCOc2cccc(F)c2)c([N+](=O)[O-])c1 ZINC001170304481 1384286545 /nfs/dbraw/zinc/28/65/45/1384286545.db2.gz CHQZHDXBASMMTH-ZDUSSCGKSA-N 1 0 348.374 3.342 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH+]2CCC3(CCCO3)CC2)c([N+](=O)[O-])c1 ZINC001170345266 1384295778 /nfs/dbraw/zinc/29/57/78/1384295778.db2.gz JIOCUELBYLPRQK-CQSZACIVSA-N 1 0 334.416 3.179 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH+]2CC3(C2)C[C@@H](F)CS3)c([N+](=O)[O-])c1 ZINC001170353114 1384299180 /nfs/dbraw/zinc/29/91/80/1384299180.db2.gz VXOSCAVSVMATMS-DGCLKSJQSA-N 1 0 340.420 3.064 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH+]2CC(C)(C)OC(C)(C)C2)c([N+](=O)[O-])c1 ZINC001170354814 1384299393 /nfs/dbraw/zinc/29/93/93/1384299393.db2.gz PNODJMYPOYSYOE-CYBMUJFWSA-N 1 0 336.432 3.424 20 5 EGBDRO COc1ccnc(-n2cc(C[C@H](C)[NH3+])c3ccc(C)cc32)c1[N+](=O)[O-] ZINC001171164040 1384458547 /nfs/dbraw/zinc/45/85/47/1384458547.db2.gz GIFNPNOXQZKRDZ-LBPRGKRZSA-N 1 0 340.383 3.140 20 5 EGBDRO COc1cc([N+](=O)[O-])cnc1-n1cc(C[C@@H](C)[NH3+])c2ccc(C)cc21 ZINC001171163396 1384458564 /nfs/dbraw/zinc/45/85/64/1384458564.db2.gz CFBTUOSRLDMOMW-GFCCVEGCSA-N 1 0 340.383 3.140 20 5 EGBDRO COc1cc(-n2c(CC[NH3+])cc3ccccc32)cc([N+](=O)[O-])c1C ZINC001171305778 1384490162 /nfs/dbraw/zinc/49/01/62/1384490162.db2.gz ZKGBPJBBZTWDFT-UHFFFAOYSA-N 1 0 325.368 3.357 20 5 EGBDRO Cc1ccc2c(ccnc2-n2cc3ccc(C[NH3+])cc3n2)c1[N+](=O)[O-] ZINC001171320405 1384494050 /nfs/dbraw/zinc/49/40/50/1384494050.db2.gz JPYDCTZJTXXPJM-UHFFFAOYSA-N 1 0 333.351 3.249 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]Cc1ccc3nonc3c1)CC2 ZINC001172898629 1384873657 /nfs/dbraw/zinc/87/36/57/1384873657.db2.gz ICWPZTPXIMTXIO-OAHLLOKOSA-N 1 0 338.367 3.168 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]C[C@@H]1Cc3ccccc3O1)CC2 ZINC001172897629 1384873705 /nfs/dbraw/zinc/87/37/05/1384873705.db2.gz BIXVCIMUDGUUAO-MJGOQNOKSA-N 1 0 338.407 3.436 20 5 EGBDRO COC(=O)C1(N[C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCCCC1 ZINC001172899010 1384873975 /nfs/dbraw/zinc/87/39/75/1384873975.db2.gz KKYNYTRGPFHWKL-MRXNPFEDSA-N 1 0 346.427 3.308 20 5 EGBDRO CC(C)(C[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1cnccn1 ZINC001172899901 1384874224 /nfs/dbraw/zinc/87/42/24/1384874224.db2.gz PQNFBQSRHIQKIF-MRXNPFEDSA-N 1 0 340.427 3.200 20 5 EGBDRO CCOC(=O)[C@H]1CCC[C@@H]1[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172901390 1384874283 /nfs/dbraw/zinc/87/42/83/1384874283.db2.gz IALPISDKCFVYJD-SZMVWBNQSA-N 1 0 346.427 3.164 20 5 EGBDRO C[C@@H]([NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1ncc(F)cn1 ZINC001172903706 1384875088 /nfs/dbraw/zinc/87/50/88/1384875088.db2.gz SPEWYODDBRZSQL-IAQYHMDHSA-N 1 0 330.363 3.122 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]C[C@@H](CO)c1ccccc1)CC2 ZINC001172909130 1384876413 /nfs/dbraw/zinc/87/64/13/1384876413.db2.gz PDLUMKARJYZSRP-OALUTQOASA-N 1 0 340.423 3.208 20 5 EGBDRO Cc1cc(C[N@H+](C)[C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)n(C)n1 ZINC001172916503 1384877505 /nfs/dbraw/zinc/87/75/05/1384877505.db2.gz SMJGANNYIVWWNE-MRXNPFEDSA-N 1 0 328.416 3.016 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1CCC[C@H]1c1cnccn1)CC2 ZINC001172915176 1384877545 /nfs/dbraw/zinc/87/75/45/1384877545.db2.gz MBMXMSDWXAPABL-LPHOPBHVSA-N 1 0 338.411 3.469 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CC[C@H](N3CCCCC3)C1)CC2 ZINC001172915073 1384877602 /nfs/dbraw/zinc/87/76/02/1384877602.db2.gz KZFTYBRXGHBZNB-QUCCMNQESA-N 1 0 343.471 3.402 20 5 EGBDRO CN(C1CC1)[C@@H]1CC[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172920049 1384878809 /nfs/dbraw/zinc/87/88/09/1384878809.db2.gz IDIIAVMYUCFRTN-IEBWSBKVSA-N 1 0 329.444 3.011 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1CCc3ncsc3C1)CC2 ZINC001172919758 1384879415 /nfs/dbraw/zinc/87/94/15/1384879415.db2.gz HJQNYFHXWPMUCC-AWEZNQCLSA-N 1 0 329.425 3.357 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CC2CCSCC2)c1F ZINC001173179581 1384932633 /nfs/dbraw/zinc/93/26/33/1384932633.db2.gz MRZXRGXVWCGKCA-LLVKDONJSA-N 1 0 342.436 3.406 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@@H]2CCc3cccnc32)c1F ZINC001173183587 1384932691 /nfs/dbraw/zinc/93/26/91/1384932691.db2.gz CCEVUTIBVOTONQ-SMDDNHRTSA-N 1 0 345.374 3.346 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)c1F ZINC001173196840 1384934151 /nfs/dbraw/zinc/93/41/51/1384934151.db2.gz QCHIHTLYTXMUBN-BLFANLJRSA-N 1 0 326.343 3.106 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCc1ccc(N(C)C)cc1 ZINC001173214554 1384936899 /nfs/dbraw/zinc/93/68/99/1384936899.db2.gz PBLYPHOHTHXALV-HNNXBMFYSA-N 1 0 327.428 3.424 20 5 EGBDRO COc1cc(CC[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)ccc1O ZINC001173214780 1384937141 /nfs/dbraw/zinc/93/71/41/1384937141.db2.gz QCFXKTCADDFYOL-ZDUSSCGKSA-N 1 0 330.384 3.072 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cccc(OC2COC2)c1 ZINC001173214301 1384937223 /nfs/dbraw/zinc/93/72/23/1384937223.db2.gz AKYIGZNRVLSDRI-AWEZNQCLSA-N 1 0 342.395 3.093 20 5 EGBDRO CC(C)[C@H]([NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)NC(C)(C)C ZINC001173224483 1384939251 /nfs/dbraw/zinc/93/92/51/1384939251.db2.gz NKKDSJVNPRASSZ-BBRMVZONSA-N 1 0 335.448 3.055 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H]([C@@H](N)C(F)(F)F)C1 ZINC001173228257 1384939771 /nfs/dbraw/zinc/93/97/71/1384939771.db2.gz IJDPOSBQMQFBDF-OSAQELSMSA-N 1 0 345.365 3.127 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(Oc2cccnc2)CC1 ZINC001173227333 1384940019 /nfs/dbraw/zinc/94/00/19/1384940019.db2.gz PYELTPIFKOPNLN-OAHLLOKOSA-N 1 0 341.411 3.464 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCN(c2cccc(O)c2)CC1 ZINC001173230251 1384940895 /nfs/dbraw/zinc/94/08/95/1384940895.db2.gz DJBNBRJZUGAMTL-OAHLLOKOSA-N 1 0 341.411 3.054 20 5 EGBDRO Cc1cnccc1O[C@H]1CC[N@@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173232365 1384941664 /nfs/dbraw/zinc/94/16/64/1384941664.db2.gz AXHBWEUNVJAKPS-QAPCUYQASA-N 1 0 341.411 3.383 20 5 EGBDRO CC(=O)Nc1ccc(C[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001173235744 1384941989 /nfs/dbraw/zinc/94/19/89/1384941989.db2.gz UTNNOQXMUITVRV-CYBMUJFWSA-N 1 0 327.384 3.274 20 5 EGBDRO CCC[N@H+]([C@H](C)Cc1ccc([N+](=O)[O-])cc1)C1CCN(C(C)=O)CC1 ZINC001173234183 1384942225 /nfs/dbraw/zinc/94/22/25/1384942225.db2.gz PKLPNTAVXPYUOF-OAHLLOKOSA-N 1 0 347.459 3.249 20 5 EGBDRO CCCCOC(=O)[C@H]1CC[N@@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173236846 1384942348 /nfs/dbraw/zinc/94/23/48/1384942348.db2.gz FNUQEABJSQTKPE-ZBFHGGJFSA-N 1 0 334.416 3.191 20 5 EGBDRO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2-c1c[nH]nc1C ZINC001174474829 1385112474 /nfs/dbraw/zinc/11/24/74/1385112474.db2.gz CKFVORBKAFLDAI-UHFFFAOYSA-N 1 0 333.395 3.276 20 5 EGBDRO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2-c1cnc(C)nc1 ZINC001176399019 1385575510 /nfs/dbraw/zinc/57/55/10/1385575510.db2.gz HSBGISUTEQWRAU-UHFFFAOYSA-N 1 0 345.406 3.342 20 5 EGBDRO Cc1c(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)ccc2c[nH+]cn21 ZINC001320309514 1386573324 /nfs/dbraw/zinc/57/33/24/1386573324.db2.gz YVYGHQXBRBNJRV-UHFFFAOYSA-N 1 0 330.731 3.457 20 5 EGBDRO CC(C)[N@@H+]1CC[C@@H](C(=O)n2c3ccccc3cc3c(=O)c(N)ccc2-3)C1 ZINC001181984114 1387087765 /nfs/dbraw/zinc/08/77/65/1387087765.db2.gz OCTRZKPSFQJNLR-OAHLLOKOSA-N 1 0 349.434 3.059 20 5 EGBDRO COc1cc(N2CCCC3(CC[NH+](C)CC3)C2)c([N+](=O)[O-])cc1C ZINC001333721263 1390384216 /nfs/dbraw/zinc/38/42/16/1390384216.db2.gz GWUOOIYJULCEDY-UHFFFAOYSA-N 1 0 333.432 3.224 20 5 EGBDRO C[C@@H](NC(=O)CC[C@@H]([NH3+])c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC001341107576 1390441394 /nfs/dbraw/zinc/44/13/94/1390441394.db2.gz GVXBKVOXFUEASZ-CXAGYDPISA-N 1 0 327.384 3.252 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H](CC[NH3+])c3ccccc32)c1C ZINC001342299750 1390598023 /nfs/dbraw/zinc/59/80/23/1390598023.db2.gz HEPIHTWNTBRURJ-AWEZNQCLSA-N 1 0 339.395 3.304 20 5 EGBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cc(C)cc([N+](=O)[O-])c2)C[C@@H]1C ZINC001344876022 1390821063 /nfs/dbraw/zinc/82/10/63/1390821063.db2.gz PVANDHIDICQMRW-ZFWWWQNUSA-N 1 0 334.420 3.240 20 5 EGBDRO C[C@H](CC[NH+]1CCCC1)OC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC001345533101 1390864139 /nfs/dbraw/zinc/86/41/39/1390864139.db2.gz JIQKHVFIIWNNDZ-CYBMUJFWSA-N 1 0 345.399 3.036 20 5 EGBDRO C[NH+](C)[C@@H]1CCC[C@H](Nc2ncnc3c(Cl)cc([N+](=O)[O-])cc23)C1 ZINC001347219615 1391030774 /nfs/dbraw/zinc/03/07/74/1391030774.db2.gz KYNWRURFDPDDJU-WDEREUQCSA-N 1 0 349.822 3.476 20 5 EGBDRO CCC(C)(C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001752731272 1440204104 /nfs/dbraw/zinc/20/41/04/1440204104.db2.gz LLEHLUGXLAZXHF-GASCZTMLSA-N 1 0 333.432 3.158 20 5 EGBDRO Cc1ccsc1C(=O)N(C)CCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001754355007 1440591410 /nfs/dbraw/zinc/59/14/10/1440591410.db2.gz SFSDJJXSWHUZSH-UHFFFAOYSA-N 1 0 347.440 3.217 20 5 EGBDRO CC/C=C(\C)C(=O)NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCC1 ZINC001754977957 1440720676 /nfs/dbraw/zinc/72/06/76/1440720676.db2.gz NUBOYNNJNYGNQG-MKMNVTDBSA-N 1 0 331.416 3.080 20 5 EGBDRO CC/C(C)=C/C(=O)N1CCC(C)([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001755127034 1440756473 /nfs/dbraw/zinc/75/64/73/1440756473.db2.gz CQOHMJHDMMTBCK-NTCAYCPXSA-N 1 0 345.443 3.422 20 5 EGBDRO CCCC(=O)NC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC001755346414 1440826525 /nfs/dbraw/zinc/82/65/25/1440826525.db2.gz BJCKESCHGGCHTO-UHFFFAOYSA-N 1 0 333.432 3.304 20 5 EGBDRO CC(C)=CC(=O)NC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CCCCC1 ZINC001755346713 1440826717 /nfs/dbraw/zinc/82/67/17/1440826717.db2.gz MPSXVLVCRSIBHL-UHFFFAOYSA-N 1 0 345.443 3.470 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC([C@H]2CCOC2)CC1 ZINC000368283895 168337569 /nfs/dbraw/zinc/33/75/69/168337569.db2.gz KFBRDMFOUDKZAO-HNNXBMFYSA-N 1 0 334.416 3.242 20 5 EGBDRO CC(=O)N1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)CC12CCCCC2 ZINC000368575101 168376272 /nfs/dbraw/zinc/37/62/72/168376272.db2.gz FVKDKNCVHFCSAB-UHFFFAOYSA-N 1 0 345.443 3.004 20 5 EGBDRO CSCC[C@H](C)[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000181762250 234314076 /nfs/dbraw/zinc/31/40/76/234314076.db2.gz XUHHISSCFAOJHU-NSHDSACASA-N 1 0 343.424 3.136 20 5 EGBDRO CCCN(CC[NH+]1CCCCC1)C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000342799632 283248780 /nfs/dbraw/zinc/24/87/80/283248780.db2.gz XJRASTRNIMRMEU-UHFFFAOYSA-N 1 0 333.432 3.241 20 5 EGBDRO C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)[C@H](c1ccccc1)[NH+](C)C ZINC000187205973 236146151 /nfs/dbraw/zinc/14/61/51/236146151.db2.gz VJKPXKMAIDSWMJ-SUMWQHHRSA-N 1 0 327.384 3.016 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[N@@H+](C)C[C@H]1C(C)C ZINC000191357989 239062686 /nfs/dbraw/zinc/06/26/86/239062686.db2.gz MHDUFQHHKBTZDQ-INIZCTEOSA-N 1 0 334.420 3.016 20 5 EGBDRO CC[NH2+]CC1CCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 ZINC000237038670 242455920 /nfs/dbraw/zinc/45/59/20/242455920.db2.gz WJGVRYYTQHPEHR-UHFFFAOYSA-N 1 0 347.459 3.354 20 5 EGBDRO Cc1ccc([C@H](C)NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)cc1[N+](=O)[O-] ZINC000246491542 243261989 /nfs/dbraw/zinc/26/19/89/243261989.db2.gz DRTPURJARMQLJJ-UKMLZYKCSA-N 1 0 331.416 3.001 20 5 EGBDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000247020770 243353033 /nfs/dbraw/zinc/35/30/33/243353033.db2.gz QLXAJHHCJDKPSE-JKSUJKDBSA-N 1 0 345.443 3.321 20 5 EGBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000081329973 203476177 /nfs/dbraw/zinc/47/61/77/203476177.db2.gz LDQDBHWSIYSLQR-GFCCVEGCSA-N 1 0 339.823 3.052 20 5 EGBDRO COc1cc(C[NH2+]C2CC(c3ccccc3)C2)c([N+](=O)[O-])cc1O ZINC000105492428 204147679 /nfs/dbraw/zinc/14/76/79/204147679.db2.gz RHUWUZXLQHPLQC-UHFFFAOYSA-N 1 0 328.368 3.345 20 5 EGBDRO O=C(CCC[NH2+]Cc1csc([N+](=O)[O-])c1)N1Cc2ccccc2C1 ZINC000111405606 204356129 /nfs/dbraw/zinc/35/61/29/204356129.db2.gz NJPMFIJTEKWIGQ-UHFFFAOYSA-N 1 0 345.424 3.069 20 5 EGBDRO C[C@@H]([NH2+][C@H]1CCN(c2ccccc2F)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000112366812 204395564 /nfs/dbraw/zinc/39/55/64/204395564.db2.gz WMZDFLMEWFYGNI-WBMJQRKESA-N 1 0 343.358 3.190 20 5 EGBDRO C[C@@H](c1ccccn1)[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000129531813 205200096 /nfs/dbraw/zinc/20/00/96/205200096.db2.gz DVGYITKATAEQEO-LBPRGKRZSA-N 1 0 346.362 3.151 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000129567308 205201244 /nfs/dbraw/zinc/20/12/44/205201244.db2.gz JWRPICUVZNOMMD-RHSMWYFYSA-N 1 0 344.415 3.273 20 5 EGBDRO CC1CC[NH+](C2CCC(NC(=O)c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000161503194 206352907 /nfs/dbraw/zinc/35/29/07/206352907.db2.gz AYFARIDMTOEHCQ-UHFFFAOYSA-N 1 0 345.443 3.368 20 5 EGBDRO C[C@@](O)(C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccccc1 ZINC000169130050 206547642 /nfs/dbraw/zinc/54/76/42/206547642.db2.gz WAIJULKKDGGZSG-UYAOXDASSA-N 1 0 340.423 3.413 20 5 EGBDRO Cc1noc(C)c1C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174242170 207002792 /nfs/dbraw/zinc/00/27/92/207002792.db2.gz ZFJSAGYZSPSOOC-UHFFFAOYSA-N 1 0 331.372 3.243 20 5 EGBDRO CC[NH+](CC)C[C@H]1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000174206283 206998920 /nfs/dbraw/zinc/99/89/20/206998920.db2.gz JJGXYHZMZXQQKE-CYBMUJFWSA-N 1 0 325.840 3.412 20 5 EGBDRO CCOC[C@@H]1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000176319615 207215482 /nfs/dbraw/zinc/21/54/82/207215482.db2.gz NHHVIEDRYSSOMR-CQSZACIVSA-N 1 0 345.399 3.151 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCNc1ccccn1)C1CC1 ZINC000268950308 255502251 /nfs/dbraw/zinc/50/22/51/255502251.db2.gz CEASXGAWYFIFIM-INIZCTEOSA-N 1 0 326.400 3.013 20 5 EGBDRO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000187205953 533292567 /nfs/dbraw/zinc/29/25/67/533292567.db2.gz VJKPXKMAIDSWMJ-DYVFJYSZSA-N 1 0 327.384 3.016 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](c1ccco1)N(C)C ZINC000344884438 533408172 /nfs/dbraw/zinc/40/81/72/533408172.db2.gz TVTWUIWBDZACTN-SHRNQRGKSA-N 1 0 329.400 3.484 20 5 EGBDRO C[C@@H](CC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]C1 ZINC000237423515 141001898 /nfs/dbraw/zinc/00/18/98/141001898.db2.gz HONZCEZAPQMPBJ-DOTOQJQBSA-N 1 0 347.459 3.060 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](c2ccco2)N2CCCC2)c(F)c1 ZINC000350631348 141257993 /nfs/dbraw/zinc/25/79/93/141257993.db2.gz HIUXYILGVGBUHP-MRXNPFEDSA-N 1 0 333.363 3.254 20 5 EGBDRO C[NH+](C)CC1(CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CCCC1 ZINC000184069515 144085742 /nfs/dbraw/zinc/08/57/42/144085742.db2.gz XUWGCBVOYSDPMP-UHFFFAOYSA-N 1 0 346.431 3.013 20 5 EGBDRO COc1ccc(-c2ccc(C[NH2+][C@@H]3CCSC3)o2)c([N+](=O)[O-])c1 ZINC000344769803 144222396 /nfs/dbraw/zinc/22/23/96/144222396.db2.gz ILGCSAATVTUGEP-LLVKDONJSA-N 1 0 334.397 3.459 20 5 EGBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)C[NH+](C)C ZINC000341278202 155225576 /nfs/dbraw/zinc/22/55/76/155225576.db2.gz GNGKJPHQUGACSI-GFCCVEGCSA-N 1 0 339.461 3.024 20 5 EGBDRO CCCC[N@H+](C)CC1CCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2)CC1 ZINC000123184264 152445943 /nfs/dbraw/zinc/44/59/43/152445943.db2.gz DKMXAMODWWWDFW-UHFFFAOYSA-N 1 0 347.459 3.487 20 5 EGBDRO CCn1nc(C)c([N+](=O)[O-])c1N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000192757462 153257659 /nfs/dbraw/zinc/25/76/59/153257659.db2.gz JZECNZNYIGWHRS-TZMCWYRMSA-N 1 0 335.452 3.185 20 5 EGBDRO C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)NC(=O)CO2)c1cccc([N+](=O)[O-])c1 ZINC000193903147 153311270 /nfs/dbraw/zinc/31/12/70/153311270.db2.gz QTZYLOFMMMWRIY-NEPJUHHUSA-N 1 0 341.367 3.338 20 5 EGBDRO Cc1cc(C(=O)N[C@H](CCC[NH3+])c2ccccc2)ccc1[N+](=O)[O-] ZINC000326565310 154183882 /nfs/dbraw/zinc/18/38/82/154183882.db2.gz DYCDDNJYZZJKDM-MRXNPFEDSA-N 1 0 327.384 3.113 20 5 EGBDRO COCC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CC[C@@H](C)C1 ZINC000337483673 154375416 /nfs/dbraw/zinc/37/54/16/154375416.db2.gz XGOBLEZVGFIJNT-CABCVRRESA-N 1 0 349.431 3.060 20 5 EGBDRO COc1ccc(-c2ccc(C[NH2+]CCC[C@@H](C)CO)o2)c([N+](=O)[O-])c1 ZINC000340103002 155098989 /nfs/dbraw/zinc/09/89/89/155098989.db2.gz BIJJABMFMRTCOP-CYBMUJFWSA-N 1 0 348.399 3.362 20 5 EGBDRO O=[N+]([O-])c1cc(Br)ccc1NCC[N@H+]1CC=CCC1 ZINC000338712137 163327927 /nfs/dbraw/zinc/32/79/27/163327927.db2.gz MFMYONCZDSYTBA-UHFFFAOYSA-N 1 0 326.194 3.031 20 5 EGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@@H]2COc3ccccc32)n1 ZINC000343931904 164068847 /nfs/dbraw/zinc/06/88/47/164068847.db2.gz MYTBMXADOLKRAK-VNQPRFMTSA-N 1 0 342.399 3.041 20 5 EGBDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@H](C)c3ccc(C)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000343946284 164071048 /nfs/dbraw/zinc/07/10/48/164071048.db2.gz WUSKRVXHBKLUKK-RNJTYBCJSA-N 1 0 345.443 3.201 20 5 EGBDRO Cc1ccc(C(=O)Nc2ccc3[nH]c(N(C)C)nc3c2)cc1[N+](=O)[O-] ZINC000344092109 164101542 /nfs/dbraw/zinc/10/15/42/164101542.db2.gz AOSNENBJUUMHRL-UHFFFAOYSA-N 1 0 339.355 3.098 20 5 EGBDRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000345680591 164241355 /nfs/dbraw/zinc/24/13/55/164241355.db2.gz FQCYWAHXMOEACX-AHIWAGSCSA-N 1 0 349.456 3.042 20 5 EGBDRO CCN(CC[NH+]1CCCCCC1)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000346300349 164365476 /nfs/dbraw/zinc/36/54/76/164365476.db2.gz PUMRLDGSNGTQSO-UHFFFAOYSA-N 1 0 337.395 3.072 20 5 EGBDRO CCS[C@H]1CCC[C@H]1[NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000348477874 164751225 /nfs/dbraw/zinc/75/12/25/164751225.db2.gz KQUYLBACNAPRMR-OCCSQVGLSA-N 1 0 337.445 3.106 20 5 EGBDRO CCC[NH+](CCC)CCCC(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000348796482 164818031 /nfs/dbraw/zinc/81/80/31/164818031.db2.gz GXEXUFFYXLIJTO-UHFFFAOYSA-N 1 0 333.432 3.386 20 5 EGBDRO CCC(CC)(CC)C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000350325921 165031269 /nfs/dbraw/zinc/03/12/69/165031269.db2.gz YRNQMQQHLOXEQT-UHFFFAOYSA-N 1 0 342.461 3.175 20 5 EGBDRO CC[NH+](CC)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000351333506 165098128 /nfs/dbraw/zinc/09/81/28/165098128.db2.gz CTRQSVSBDALPPK-UHFFFAOYSA-N 1 0 334.157 3.041 20 5 EGBDRO CN(CC[C@H]1CCCC[N@@H+]1C)c1nc2ccccc2cc1[N+](=O)[O-] ZINC000352356697 165361316 /nfs/dbraw/zinc/36/13/16/165361316.db2.gz NSNMFZCXPWHUFS-OAHLLOKOSA-N 1 0 328.416 3.454 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CCC[C@H]1C[NH+]1CCCCC1 ZINC000352384151 165374545 /nfs/dbraw/zinc/37/45/45/165374545.db2.gz RRKMOVRZWVSPPU-SFHVURJKSA-N 1 0 347.459 3.444 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@H](CO)CC2CCC2)o1 ZINC000355537339 166235815 /nfs/dbraw/zinc/23/58/15/166235815.db2.gz TXUCIWCJWDXBEL-CQSZACIVSA-N 1 0 330.384 3.496 20 5 EGBDRO CC(C)[C@H](C(=O)N(C)CCc1ccccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000359133536 167077598 /nfs/dbraw/zinc/07/75/98/167077598.db2.gz YOGURKOTPBEPEN-GOSISDBHSA-N 1 0 347.459 3.106 20 5 EGBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H]1CCCC[C@H]1Cc1ccccc1 ZINC000360339941 167307363 /nfs/dbraw/zinc/30/73/63/167307363.db2.gz WJEUQBDIUYWNTJ-JKSUJKDBSA-N 1 0 328.416 3.219 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC(O)(Cc3ccccc3F)CC2)cc1 ZINC000365834305 168049847 /nfs/dbraw/zinc/04/98/47/168049847.db2.gz BQBPJAJJCNMHTG-UHFFFAOYSA-N 1 0 344.386 3.304 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)C1CC1 ZINC000366260265 168099398 /nfs/dbraw/zinc/09/93/98/168099398.db2.gz QTZNYVLWZIFWEZ-SQNIBIBYSA-N 1 0 329.444 3.132 20 5 EGBDRO C[N@H+](CCCNC(=O)CCc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000087062319 264678276 /nfs/dbraw/zinc/67/82/76/264678276.db2.gz FLCDNZXGHBPMTI-UHFFFAOYSA-N 1 0 347.459 3.298 20 5 EGBDRO Cc1ccc([C@@H](C)NC(=O)NCCC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000175630420 265126403 /nfs/dbraw/zinc/12/64/03/265126403.db2.gz BNZKARXXHVGENU-OAHLLOKOSA-N 1 0 348.447 3.139 20 5 EGBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000177603263 265266522 /nfs/dbraw/zinc/26/65/22/265266522.db2.gz QRXPGADCZKDXIU-STQMWFEESA-N 1 0 347.440 3.412 20 5 EGBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000187019422 265572748 /nfs/dbraw/zinc/57/27/48/265572748.db2.gz ZZWLKYYFCOFNRO-MRXNPFEDSA-N 1 0 347.459 3.106 20 5 EGBDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000193757623 266058428 /nfs/dbraw/zinc/05/84/28/266058428.db2.gz FNELSDJVMUFHTQ-CQSZACIVSA-N 1 0 334.420 3.371 20 5 EGBDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000193762803 266060283 /nfs/dbraw/zinc/06/02/83/266060283.db2.gz VLGSRCAWHVPLRK-CQSZACIVSA-N 1 0 334.420 3.228 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000269408805 266288884 /nfs/dbraw/zinc/28/88/84/266288884.db2.gz IPASMROVEJRAMV-XJKSGUPXSA-N 1 0 331.416 3.057 20 5 EGBDRO C[C@@H]1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@@H](c2ccccc2)CO1 ZINC000269670488 266337390 /nfs/dbraw/zinc/33/73/90/266337390.db2.gz UJHKUTCWPDFQIY-ZMYBRWDISA-N 1 0 342.395 3.090 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+][C@H](CO)Cc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000271497634 266673991 /nfs/dbraw/zinc/67/39/91/266673991.db2.gz LRDLXAXCMDGEEE-GUYCJALGSA-N 1 0 332.375 3.297 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000274294326 267213285 /nfs/dbraw/zinc/21/32/85/267213285.db2.gz RTRXDTYLLVKHEQ-HNNXBMFYSA-N 1 0 346.431 3.304 20 5 EGBDRO CCOc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)ccc1[N+](=O)[O-] ZINC000276898963 275253881 /nfs/dbraw/zinc/25/38/81/275253881.db2.gz LJDVGZPAWZJEQS-PBHICJAKSA-N 1 0 344.415 3.273 20 5 EGBDRO C[C@@H]1CN(CCC[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCCO1 ZINC000278379266 275255758 /nfs/dbraw/zinc/25/57/58/275255758.db2.gz CXRCKPJZBHNEAY-DNVCBOLYSA-N 1 0 347.459 3.063 20 5 EGBDRO COC[C@@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CCCO1 ZINC000278614572 275259268 /nfs/dbraw/zinc/25/92/68/275259268.db2.gz JCPPNIWOURYYSS-AEFFLSMTSA-N 1 0 346.383 3.138 20 5 EGBDRO CN(C)C1(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CCOCC1 ZINC000279010445 275295638 /nfs/dbraw/zinc/29/56/38/275295638.db2.gz GVPMFYKQQHQEAT-KRWDZBQOSA-N 1 0 347.459 3.018 20 5 EGBDRO O=[N+]([O-])c1cccnc1N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000286441489 276001484 /nfs/dbraw/zinc/00/14/84/276001484.db2.gz SPVNHKHTEUGUII-LJQANCHMSA-N 1 0 338.411 3.092 20 5 EGBDRO C[NH+](C)CCCOc1ccc(CNc2ccc(N)cc2[N+](=O)[O-])cc1 ZINC000287658624 276144573 /nfs/dbraw/zinc/14/45/73/276144573.db2.gz CJVREGLQGYDDEY-UHFFFAOYSA-N 1 0 344.415 3.120 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]1COc2ccccc21 ZINC000288525952 276223862 /nfs/dbraw/zinc/22/38/62/276223862.db2.gz JUSAHOFIYCOWGS-AWEZNQCLSA-N 1 0 328.368 3.259 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000289765118 276390392 /nfs/dbraw/zinc/39/03/92/276390392.db2.gz KUBRZRRDNYKYNF-WMLDXEAASA-N 1 0 346.431 3.105 20 5 EGBDRO COc1ccccc1[C@H](CC(C)C)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000181697654 278061668 /nfs/dbraw/zinc/06/16/68/278061668.db2.gz SVWRHELMQYSIOM-INIZCTEOSA-N 1 0 332.404 3.177 20 5 EGBDRO Cc1cccc(CCC[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000353849419 281214343 /nfs/dbraw/zinc/21/43/43/281214343.db2.gz YHALSULFCWCBEB-IAGOWNOFSA-N 1 0 343.431 3.201 20 5 EGBDRO C[NH+](C)CCN(Cc1ccc(F)cc1)Cc1ccc([N+](=O)[O-])cc1F ZINC000349081085 289145719 /nfs/dbraw/zinc/14/57/19/289145719.db2.gz VLRNTGSUNWNQCK-UHFFFAOYSA-N 1 0 349.381 3.437 20 5 EGBDRO C[C@H]([NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C(=O)N1CCCCC1 ZINC000359026670 290039616 /nfs/dbraw/zinc/03/96/16/290039616.db2.gz FPZAUTZTHKMIEL-GUYCJALGSA-N 1 0 345.443 3.308 20 5 EGBDRO Cc1nc(N2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000413527458 309035958 /nfs/dbraw/zinc/03/59/58/309035958.db2.gz AXPHUBUUUMCVLU-AWEZNQCLSA-N 1 0 326.400 3.009 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](CC(C)C)C1 ZINC000072492001 307379458 /nfs/dbraw/zinc/37/94/58/307379458.db2.gz RASFQDWDCCWDEZ-CQSZACIVSA-N 1 0 349.431 3.300 20 5 EGBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000080074062 307431431 /nfs/dbraw/zinc/43/14/31/307431431.db2.gz SPNYDMQOAWVRII-CQSZACIVSA-N 1 0 348.447 3.004 20 5 EGBDRO C[NH+](C)CCC1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000116368513 307483740 /nfs/dbraw/zinc/48/37/40/307483740.db2.gz HZZREJMGLRWPEC-UHFFFAOYSA-N 1 0 325.840 3.412 20 5 EGBDRO Cc1cc(C(=O)N(CC[NH+](C)C)c2ccccc2)cc([N+](=O)[O-])c1 ZINC000127947450 307593021 /nfs/dbraw/zinc/59/30/21/307593021.db2.gz KKLUISILIYRWHF-UHFFFAOYSA-N 1 0 327.384 3.112 20 5 EGBDRO Cc1cccc(OC[C@@H](O)C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000152895375 307761511 /nfs/dbraw/zinc/76/15/11/307761511.db2.gz YSZQWFQHMPFQIQ-WBVHZDCISA-N 1 0 344.411 3.302 20 5 EGBDRO C[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H](C)c1ccccc1 ZINC000246059512 307964350 /nfs/dbraw/zinc/96/43/50/307964350.db2.gz ZAKOGDBLLRXUNA-RVKKMQEKSA-N 1 0 344.411 3.116 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](C/C=C\c3ccc(F)cc3)C2)nc1 ZINC000255034650 308037882 /nfs/dbraw/zinc/03/78/82/308037882.db2.gz XHFNPAYLMNTLMY-AIMAZDRCSA-N 1 0 342.374 3.329 20 5 EGBDRO C[NH+](C)C1(CNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCC1 ZINC000292907467 308078803 /nfs/dbraw/zinc/07/88/03/308078803.db2.gz NKHNECRFVBEQSA-UHFFFAOYSA-N 1 0 346.214 3.116 20 5 EGBDRO O=[N+]([O-])c1cccc(C[NH+]2CCC(CO)(c3ccccc3)CC2)c1 ZINC000293396832 308126865 /nfs/dbraw/zinc/12/68/65/308126865.db2.gz QXRDKCUVMDRTMS-UHFFFAOYSA-N 1 0 326.396 3.121 20 5 EGBDRO Cc1ccc(C[N@@H+]2CCC[C@@H](CC(C)(C)C(N)=O)C2)cc1[N+](=O)[O-] ZINC000294688003 308245856 /nfs/dbraw/zinc/24/58/56/308245856.db2.gz CCUNLZAFWGYJII-HNNXBMFYSA-N 1 0 333.432 3.017 20 5 EGBDRO O=C1CCCN1[C@H]1CCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000414551600 309088408 /nfs/dbraw/zinc/08/84/08/309088408.db2.gz OSBBMJXDRYTQAZ-GALSZHCDSA-N 1 0 343.427 3.085 20 5 EGBDRO [NH3+]C1(c2noc(-c3cc([N+](=O)[O-])ccc3C(F)(F)F)n2)CCC1 ZINC000414627796 309092359 /nfs/dbraw/zinc/09/23/59/309092359.db2.gz MSPUZFTUIGLHKC-UHFFFAOYSA-N 1 0 328.250 3.002 20 5 EGBDRO CC[C@H](C)[NH+]1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000296007404 308384175 /nfs/dbraw/zinc/38/41/75/308384175.db2.gz LBIDADACDZJYBI-AWEZNQCLSA-N 1 0 344.415 3.166 20 5 EGBDRO CCN(CCC[NH+]1CCCC1)C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000297568712 308546535 /nfs/dbraw/zinc/54/65/35/308546535.db2.gz LCRYAIJPQXEQCL-HNNXBMFYSA-N 1 0 348.447 3.173 20 5 EGBDRO C[NH2+]CCNCc1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000414819925 309103597 /nfs/dbraw/zinc/10/35/97/309103597.db2.gz BCGUYHSFLBYWPP-UHFFFAOYSA-N 1 0 331.441 3.363 20 5 EGBDRO COc1ccc(NC(=O)CC[NH+](C2CCC2)C2CCC2)c([N+](=O)[O-])c1 ZINC000298554651 308624243 /nfs/dbraw/zinc/62/42/43/308624243.db2.gz ZBIJTQXABBUESS-UHFFFAOYSA-N 1 0 347.415 3.339 20 5 EGBDRO Cc1nn(C)c(NC2CC[NH+]([C@H](C)c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000301315541 308696132 /nfs/dbraw/zinc/69/61/32/308696132.db2.gz MPXOAHVIFPQPIL-CQSZACIVSA-N 1 0 343.431 3.274 20 5 EGBDRO Cc1cc(N2CC[C@@H]([NH+]3CCCC3)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000302034245 308726161 /nfs/dbraw/zinc/72/61/61/308726161.db2.gz TZHNZTAQOMSFCS-CQSZACIVSA-N 1 0 326.400 3.126 20 5 EGBDRO CC1CC[NH+]([C@@H](CNc2ncc([N+](=O)[O-])cn2)c2ccccc2)CC1 ZINC000302167093 308731710 /nfs/dbraw/zinc/73/17/10/308731710.db2.gz RXKFLZXGYYKQDG-KRWDZBQOSA-N 1 0 341.415 3.270 20 5 EGBDRO CC[C@H](CO)[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000302965566 308751247 /nfs/dbraw/zinc/75/12/47/308751247.db2.gz YYYSYEHXWAEOKW-CQSZACIVSA-N 1 0 334.347 3.387 20 5 EGBDRO C[C@@H]([NH2+][C@H]1CCCN(CC(C)(C)C)C1=O)c1ccccc1[N+](=O)[O-] ZINC000330901017 308800096 /nfs/dbraw/zinc/80/00/96/308800096.db2.gz OXSKHHZSRTXWGG-HIFRSBDPSA-N 1 0 333.432 3.283 20 5 EGBDRO Cc1ccc([C@H](C)NC(=O)[C@H](C)[NH+]2CCCCCC2)cc1[N+](=O)[O-] ZINC000331954579 308822011 /nfs/dbraw/zinc/82/20/11/308822011.db2.gz JOYZAKTWIDDFIT-GJZGRUSLSA-N 1 0 333.432 3.345 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000332412007 308836697 /nfs/dbraw/zinc/83/66/97/308836697.db2.gz RTAPFWVCNXLFBU-OAHLLOKOSA-N 1 0 346.431 3.065 20 5 EGBDRO COc1ccc(NC(=O)CC[NH2+][C@@H]2CCCCC2(C)C)c([N+](=O)[O-])c1 ZINC000411546657 308943780 /nfs/dbraw/zinc/94/37/80/308943780.db2.gz BEURKQHKSSFPQE-MRXNPFEDSA-N 1 0 349.431 3.490 20 5 EGBDRO CCC[N@@H+]1CC[C@@H](CNc2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000413072731 309014719 /nfs/dbraw/zinc/01/47/19/309014719.db2.gz NLUGYSUGCCWOKF-JTQLQIEISA-N 1 0 332.326 3.152 20 5 EGBDRO C[C@H](C[NH+]1CCCCC1)Nc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413105058 309016380 /nfs/dbraw/zinc/01/63/80/309016380.db2.gz XWMLHBOOGNGOCZ-SNVBAGLBSA-N 1 0 332.326 3.295 20 5 EGBDRO C[NH+]1CCC([C@@H]2CCN(c3nccc4ccc([N+](=O)[O-])cc43)C2)CC1 ZINC000413208480 309021563 /nfs/dbraw/zinc/02/15/63/309021563.db2.gz STCXKZWLUFOWFF-MRXNPFEDSA-N 1 0 340.427 3.311 20 5 EGBDRO C[C@H](NCc1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@@H]1CCC[NH2+]C1 ZINC000414851405 309105459 /nfs/dbraw/zinc/10/54/59/309105459.db2.gz JDVZOZLSLQUHIO-UONOGXRCSA-N 1 0 329.400 3.333 20 5 EGBDRO C[C@]1(CNCc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCC[NH2+]C1 ZINC000414897058 309107977 /nfs/dbraw/zinc/10/79/77/309107977.db2.gz DAOWRIKRPUYJOJ-SFHVURJKSA-N 1 0 329.400 3.334 20 5 EGBDRO C[C@]1(CNCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCC[NH2+]C1 ZINC000414896455 309108030 /nfs/dbraw/zinc/10/80/30/309108030.db2.gz BVVCHYHJGBGZLZ-SFHVURJKSA-N 1 0 329.400 3.334 20 5 EGBDRO COc1ccc(-c2ccc(CN[C@@H]3CC[NH2+][C@H](C)C3)o2)c([N+](=O)[O-])c1 ZINC000414954679 309111322 /nfs/dbraw/zinc/11/13/22/309111322.db2.gz SWIUDUYNEBKMNT-CHWSQXEVSA-N 1 0 345.399 3.094 20 5 EGBDRO C[C@@H](NC(=O)N(CCC[NH3+])CC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000417126736 309194273 /nfs/dbraw/zinc/19/42/73/309194273.db2.gz DZEXYGOMXZTBKM-CQSZACIVSA-N 1 0 348.447 3.206 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCN1CCSCC1)CCCC2 ZINC000417301728 309200914 /nfs/dbraw/zinc/20/09/14/309200914.db2.gz BWKDRORHHPPVMW-QGZVFWFLSA-N 1 0 335.473 3.001 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@H]1CCc3n[nH]cc3C1)CCCC2 ZINC000417314045 309201359 /nfs/dbraw/zinc/20/13/59/309201359.db2.gz XXJJVNLUKMJLCW-KSSFIOAISA-N 1 0 326.400 3.233 20 5 EGBDRO Cc1ccc(C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)c(=O)n1C ZINC000417335040 309202152 /nfs/dbraw/zinc/20/21/52/309202152.db2.gz SECDLLNKMNPDMM-SFHVURJKSA-N 1 0 341.411 3.159 20 5 EGBDRO Cc1ccc([C@@H](C)NC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)cc1[N+](=O)[O-] ZINC000417859646 309225530 /nfs/dbraw/zinc/22/55/30/309225530.db2.gz WVCPWLWQPHZDNW-RBSFLKMASA-N 1 0 348.447 3.029 20 5 EGBDRO CCC([NH3+])(CC)CNC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000418433964 309246095 /nfs/dbraw/zinc/24/60/95/309246095.db2.gz DPLDUOVBKSWNRU-OAHLLOKOSA-N 1 0 348.447 3.001 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420251303 309278096 /nfs/dbraw/zinc/27/80/96/309278096.db2.gz LJAZADVWYRGAPK-AWEZNQCLSA-N 1 0 330.215 3.482 20 5 EGBDRO NC(=O)CC1(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000421349808 309319640 /nfs/dbraw/zinc/31/96/40/309319640.db2.gz JNUKHERLXYRGMF-UHFFFAOYSA-N 1 0 345.424 3.069 20 5 EGBDRO Cc1cc(C[NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)cc(C)n1 ZINC000421393034 309322417 /nfs/dbraw/zinc/32/24/17/309322417.db2.gz YIYPENRMQDKBIR-GFCCVEGCSA-N 1 0 342.399 3.114 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000422827901 309370581 /nfs/dbraw/zinc/37/05/81/309370581.db2.gz FHTMXZWLBMVYPK-OAHLLOKOSA-N 1 0 333.432 3.157 20 5 EGBDRO C[C@H](NC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000422989499 309379582 /nfs/dbraw/zinc/37/95/82/309379582.db2.gz LZIQBPMNRVJUMN-SUMWQHHRSA-N 1 0 341.411 3.498 20 5 EGBDRO [NH3+][C@H](CCC(=O)NCCc1ccc([N+](=O)[O-])cc1)CC1CCCCC1 ZINC000424101573 309429397 /nfs/dbraw/zinc/42/93/97/309429397.db2.gz NGFOESKKYNWWEH-QGZVFWFLSA-N 1 0 347.459 3.331 20 5 EGBDRO CC(C)(CO)[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000429707818 309587913 /nfs/dbraw/zinc/58/79/13/309587913.db2.gz HTUITNCNXNJDNV-SFHVURJKSA-N 1 0 344.411 3.323 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1CN1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000430203829 309601366 /nfs/dbraw/zinc/60/13/66/309601366.db2.gz JIMQKENLQYTJEQ-MPGHIAIKSA-N 1 0 347.459 3.441 20 5 EGBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]C3CCC4(CCOCC4)CC3)nc2c1 ZINC000446848672 309969489 /nfs/dbraw/zinc/96/94/89/309969489.db2.gz ISSGSUAYQSRLFO-UHFFFAOYSA-N 1 0 344.415 3.300 20 5 EGBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]CC=Cc3ccc(F)cc3)nc2c1 ZINC000446848747 309969533 /nfs/dbraw/zinc/96/95/33/309969533.db2.gz JORHNIGKUXYYAO-OWOJBTEDSA-N 1 0 326.331 3.413 20 5 EGBDRO COc1cc(F)cc(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000447585024 309983181 /nfs/dbraw/zinc/98/31/81/309983181.db2.gz IQESCYTUPQFIKD-HZPDHXFCSA-N 1 0 348.378 3.213 20 5 EGBDRO CCOCCC1(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000447590019 309983602 /nfs/dbraw/zinc/98/36/02/309983602.db2.gz ZSONOKBIUJXWKS-HUUCEWRRSA-N 1 0 336.436 3.071 20 5 EGBDRO CC[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449178366 310042572 /nfs/dbraw/zinc/04/25/72/310042572.db2.gz SNMACWKEZAQXKT-YYVJSBQZSA-N 1 0 338.473 3.195 20 5 EGBDRO COc1cccc(COCC[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000449201494 310044218 /nfs/dbraw/zinc/04/42/18/310044218.db2.gz DVFIWXDBPHPTQN-HNNXBMFYSA-N 1 0 344.411 3.341 20 5 EGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC(=O)N(C2CCCCC2)C1 ZINC000449237748 310046740 /nfs/dbraw/zinc/04/67/40/310046740.db2.gz CWMQZGPZXNHDPS-HOCLYGCPSA-N 1 0 345.443 3.049 20 5 EGBDRO NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000449505802 310067679 /nfs/dbraw/zinc/06/76/79/310067679.db2.gz XVBZISCKQXRRAS-QGZVFWFLSA-N 1 0 339.395 3.073 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H]2C[C@H](O)CC[C@H]2C1 ZINC000449557588 310071740 /nfs/dbraw/zinc/07/17/40/310071740.db2.gz VAKVJVLJSSMYNT-ZIQJBSJUSA-N 1 0 330.428 3.481 20 5 EGBDRO CC(C)(C)c1ccc(C(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000449636111 310076641 /nfs/dbraw/zinc/07/66/41/310076641.db2.gz CXHBPGJANKJGAJ-GXTWGEPZSA-N 1 0 333.432 3.140 20 5 EGBDRO CC(C)(C)O[C@@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)[C@@H]1n1cccn1 ZINC000449654931 310077867 /nfs/dbraw/zinc/07/78/67/310077867.db2.gz FYCYEOZQOZWCMM-BBWFWOEESA-N 1 0 344.415 3.078 20 5 EGBDRO C[C@H]1C[NH+](CCCNc2nccc3cc([N+](=O)[O-])ccc32)C[C@H](C)O1 ZINC000450241468 310110508 /nfs/dbraw/zinc/11/05/08/310110508.db2.gz JCWSJXGQFSGHAN-KBPBESRZSA-N 1 0 344.415 3.054 20 5 EGBDRO O=[N+]([O-])c1cccc2c1ccnc2N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000450359860 310117694 /nfs/dbraw/zinc/11/76/94/310117694.db2.gz YHXWMXPTHZZEMV-OAHLLOKOSA-N 1 0 340.427 3.455 20 5 EGBDRO Cc1nc(N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)ncc1[N+](=O)[O-] ZINC000450388353 310119616 /nfs/dbraw/zinc/11/96/16/310119616.db2.gz KLRWXGIXLVDDES-AWEZNQCLSA-N 1 0 347.463 3.174 20 5 EGBDRO Cc1cnc(N2CC[N@H+](Cc3ccccc3)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000450812020 310143692 /nfs/dbraw/zinc/14/36/92/310143692.db2.gz PCWBNHSTUYKQPB-INIZCTEOSA-N 1 0 340.427 3.257 20 5 EGBDRO CC(C)[N@@H+]1CC[C@@H](N(C)c2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000450957226 310151996 /nfs/dbraw/zinc/15/19/96/310151996.db2.gz UACHCQBZVJKVLI-GFCCVEGCSA-N 1 0 329.347 3.115 20 5 EGBDRO COc1ccc(C[N@@H+]2CCC[C@@H](c3ccncc3)C2)cc1[N+](=O)[O-] ZINC000451002634 310154944 /nfs/dbraw/zinc/15/49/44/310154944.db2.gz SVVPCWRDPXDSJT-MRXNPFEDSA-N 1 0 327.384 3.378 20 5 EGBDRO CC1(C)[C@H]([NH2+]Cc2c(F)cc([N+](=O)[O-])cc2F)[C@@H]2CCCO[C@H]21 ZINC000451474270 310180095 /nfs/dbraw/zinc/18/00/95/310180095.db2.gz AJVGHNPHLIJQJR-COLVAYQJSA-N 1 0 326.343 3.166 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H]1C[C@H](OC(C)C)C1(C)C ZINC000451488604 310180966 /nfs/dbraw/zinc/18/09/66/310180966.db2.gz BDYROFRLMWCHLX-HOTGVXAUSA-N 1 0 349.431 3.023 20 5 EGBDRO CC(C)O[C@@H]1C[C@@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1(C)C ZINC000451488591 310181002 /nfs/dbraw/zinc/18/10/02/310181002.db2.gz BBILLZSIQMUFSG-HZPDHXFCSA-N 1 0 349.431 3.105 20 5 EGBDRO O=C(CC[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)N1CCCCC1 ZINC000451547671 310184941 /nfs/dbraw/zinc/18/49/41/310184941.db2.gz LLSLQEPZZQPYFF-KRWDZBQOSA-N 1 0 345.443 3.177 20 5 EGBDRO O=[N+]([O-])c1ccc(OCCN2CCOC[C@@H]2c2ccc(F)cc2)cc1 ZINC000451798362 310197826 /nfs/dbraw/zinc/19/78/26/310197826.db2.gz LRCDZUVXPTUONH-GOSISDBHSA-N 1 0 346.358 3.186 20 5 EGBDRO CCO[C@@H]1CCCC[C@H]1[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000452036106 310208577 /nfs/dbraw/zinc/20/85/77/310208577.db2.gz ZLCFQCZHWBIRSP-HUUCEWRRSA-N 1 0 346.387 3.082 20 5 EGBDRO O=C(CC[N@@H+]1C[C@H](C2CC2)[C@@H]1C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000453026361 310253267 /nfs/dbraw/zinc/25/32/67/310253267.db2.gz FEFZDPGUKNNLQK-KDOFPFPSSA-N 1 0 329.400 3.044 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@H](O)Cc1cccc(F)c1)CCC2 ZINC000453226390 310265396 /nfs/dbraw/zinc/26/53/96/310265396.db2.gz XRLVZACTRGHVLZ-MJGOQNOKSA-N 1 0 344.386 3.305 20 5 EGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccnc(OC)n1 ZINC000453242614 310266241 /nfs/dbraw/zinc/26/62/41/310266241.db2.gz FKDDRKRFRCZJOL-GFCCVEGCSA-N 1 0 348.428 3.054 20 5 EGBDRO COCC1(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCCC1 ZINC000453382075 310273934 /nfs/dbraw/zinc/27/39/34/310273934.db2.gz LGVLSGURHWCZPB-HUUCEWRRSA-N 1 0 336.436 3.071 20 5 EGBDRO C[C@H]1C[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2nccn21 ZINC000454212441 310297382 /nfs/dbraw/zinc/29/73/82/310297382.db2.gz KRAHCPDVHURPAC-UFBFGSQYSA-N 1 0 335.751 3.272 20 5 EGBDRO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000462863945 310606941 /nfs/dbraw/zinc/60/69/41/310606941.db2.gz QYSGHIDZLGPNHP-INIZCTEOSA-N 1 0 340.427 3.217 20 5 EGBDRO CC[NH+](CC)CCC[C@@H](C)Nc1nc2ccccc2cc1[N+](=O)[O-] ZINC000473517354 310776064 /nfs/dbraw/zinc/77/60/64/310776064.db2.gz IHHVPCJQKFRBTE-CQSZACIVSA-N 1 0 330.432 3.487 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@@H](CO)CC1CCC1 ZINC000479509958 310876519 /nfs/dbraw/zinc/87/65/19/310876519.db2.gz KFWCKUPTPYVOHW-JQHSSLGASA-N 1 0 332.444 3.447 20 5 EGBDRO C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000481125693 310906787 /nfs/dbraw/zinc/90/67/87/310906787.db2.gz LMKTYXFVSFXHAL-QLFBSQMISA-N 1 0 336.432 3.139 20 5 EGBDRO CO[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C[C@@H]1OC ZINC000488520778 311069543 /nfs/dbraw/zinc/06/95/43/311069543.db2.gz TVVABJAWFWLULS-IYBDPMFKSA-N 1 0 348.424 3.169 20 5 EGBDRO CC(C)[C@H]1CN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000490303264 311138521 /nfs/dbraw/zinc/13/85/21/311138521.db2.gz WLASXBIXIDDIAM-QGZVFWFLSA-N 1 0 347.459 3.305 20 5 EGBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])C[C@@H]1C ZINC000491913637 311198135 /nfs/dbraw/zinc/19/81/35/311198135.db2.gz LTNCTXNRJOYSGK-KQOCBEFLSA-N 1 0 349.406 3.078 20 5 EGBDRO COC(=O)[C@@H]1CCCC[C@]1(C)[NH2+]Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000492175120 311224075 /nfs/dbraw/zinc/22/40/75/311224075.db2.gz GACZNWJYHAZLST-LRDDRELGSA-N 1 0 340.807 3.460 20 5 EGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](C)C[C@H](C)O ZINC000504894012 312011957 /nfs/dbraw/zinc/01/19/57/312011957.db2.gz JEXCMFRZLMMATM-MELADBBJSA-N 1 0 326.462 3.462 20 5 EGBDRO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C[C@@H]1COc2ccccc2O1 ZINC000506767305 312054360 /nfs/dbraw/zinc/05/43/60/312054360.db2.gz MKBZKKIOQQTIFL-QKIRZYONSA-N 1 0 340.379 3.380 20 5 EGBDRO COc1ccc(C(=O)CC[N@H+](C)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000510607269 312144612 /nfs/dbraw/zinc/14/46/12/312144612.db2.gz GFGKTMBVBDEMND-UHFFFAOYSA-N 1 0 342.395 3.351 20 5 EGBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000515096060 312265403 /nfs/dbraw/zinc/26/54/03/312265403.db2.gz XCHNAQZAFNUCEM-NSHDSACASA-N 1 0 342.827 3.490 20 5 EGBDRO C[N@@H+]1CCC[C@@H](CNc2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000087834386 454089874 /nfs/dbraw/zinc/08/98/74/454089874.db2.gz YECZKNPQGDXSMU-JTQLQIEISA-N 1 0 328.210 3.111 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H](CO)Cc1ccccc1 ZINC000531953174 313735118 /nfs/dbraw/zinc/73/51/18/313735118.db2.gz WQUMLZFCLNIGGU-RDJZCZTQSA-N 1 0 328.412 3.405 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H](CO)Cc1ccccc1 ZINC000531953175 313735192 /nfs/dbraw/zinc/73/51/92/313735192.db2.gz WQUMLZFCLNIGGU-WBVHZDCISA-N 1 0 328.412 3.405 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCN(c2ccccn2)C1 ZINC000536831414 314148206 /nfs/dbraw/zinc/14/82/06/314148206.db2.gz HPQZJKKTFXTWKF-GJZGRUSLSA-N 1 0 326.400 3.228 20 5 EGBDRO COc1cccc([C@@H](C)[NH2+]CC(=O)Nc2c(C)cccc2[N+](=O)[O-])c1 ZINC000537028302 314157692 /nfs/dbraw/zinc/15/76/92/314157692.db2.gz RUAPRGMEWMZJJG-CYBMUJFWSA-N 1 0 343.383 3.201 20 5 EGBDRO COC(=O)CCC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000542931520 314593174 /nfs/dbraw/zinc/59/31/74/314593174.db2.gz CYDVYZYQHXKJQK-UHFFFAOYSA-N 1 0 340.807 3.413 20 5 EGBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccc2c(c1)CCC(=O)N2 ZINC000548710796 315037596 /nfs/dbraw/zinc/03/75/96/315037596.db2.gz PSAMANBGNKQMNA-CYBMUJFWSA-N 1 0 339.395 3.373 20 5 EGBDRO CCOc1ccc(NC(=O)C[N@H+](C)[C@@H]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000548730527 315040768 /nfs/dbraw/zinc/04/07/68/315040768.db2.gz HIDPPXURAYZVTM-XJKSGUPXSA-N 1 0 349.431 3.443 20 5 EGBDRO CC[C@H]1C[N@H+](C)CCN1c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000549253946 315083818 /nfs/dbraw/zinc/08/38/18/315083818.db2.gz KWDSCMUYRVLEIY-HNNXBMFYSA-N 1 0 344.390 3.326 20 5 EGBDRO Cc1ccccc1C(C)(C)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000549867770 315108347 /nfs/dbraw/zinc/10/83/47/315108347.db2.gz FMAAFLRLIQYNDW-OAHLLOKOSA-N 1 0 344.411 3.168 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+][C@@H]1COc2ccccc2C1 ZINC000550785704 315134414 /nfs/dbraw/zinc/13/44/14/315134414.db2.gz VKHPZPRAZTZTNV-HNNXBMFYSA-N 1 0 332.787 3.384 20 5 EGBDRO COc1ccc(C[NH+]2CCC(c3c[nH]nc3C)CC2)cc1[N+](=O)[O-] ZINC000551723961 315165174 /nfs/dbraw/zinc/16/51/74/315165174.db2.gz WVZIVVBSJIEZSV-UHFFFAOYSA-N 1 0 330.388 3.015 20 5 EGBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)CC[N@H+](C)C1CCCCC1 ZINC000553059900 315243217 /nfs/dbraw/zinc/24/32/17/315243217.db2.gz UKVRKGBPMJJDOY-UHFFFAOYSA-N 1 0 347.459 3.250 20 5 EGBDRO COc1cc2c(cc1C[NH2+]CCc1ccccc1[N+](=O)[O-])O[C@@H](C)C2 ZINC000564654369 316182690 /nfs/dbraw/zinc/18/26/90/316182690.db2.gz QKNHKERTMRNGBQ-ZDUSSCGKSA-N 1 0 342.395 3.259 20 5 EGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]Cc2cc(F)ccc2F)n1 ZINC000564813370 316210246 /nfs/dbraw/zinc/21/02/46/316210246.db2.gz HXZKDLUCSRBLSC-LSDHHAIUSA-N 1 0 336.342 3.343 20 5 EGBDRO CN(Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC000570966935 317133517 /nfs/dbraw/zinc/13/35/17/317133517.db2.gz ZORSCNIAUUCQRA-KRWDZBQOSA-N 1 0 340.427 3.156 20 5 EGBDRO O=C1CCCN1[C@@H]1CCC[C@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000573935825 317544797 /nfs/dbraw/zinc/54/47/97/317544797.db2.gz RETIFNDAWZMBPD-JJRVBVJISA-N 1 0 343.427 3.105 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000574505873 317605798 /nfs/dbraw/zinc/60/57/98/317605798.db2.gz YSYZFWJUPRNYSO-AWEZNQCLSA-N 1 0 330.215 3.482 20 5 EGBDRO CCc1cccc(NC(=O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000173407335 323295659 /nfs/dbraw/zinc/29/56/59/323295659.db2.gz YIZAFISVSKQBJF-CYBMUJFWSA-N 1 0 327.384 3.447 20 5 EGBDRO CC[C@H]([NH2+][C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CCCO1 ZINC000182317910 323542569 /nfs/dbraw/zinc/54/25/69/323542569.db2.gz YYUZLOGPUIVPIX-CQDKDKBSSA-N 1 0 346.387 3.253 20 5 EGBDRO CC[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1c(C)noc1C ZINC000182500305 323556576 /nfs/dbraw/zinc/55/65/76/323556576.db2.gz OSPCBKNRFZWGSQ-CYBMUJFWSA-N 1 0 346.387 3.269 20 5 EGBDRO COc1ccc(NC(=O)CC[NH2+][C@@H]2CCC[C@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000192803607 323826442 /nfs/dbraw/zinc/82/64/42/323826442.db2.gz DDNVMJRNQQWVQV-GZBFAFLISA-N 1 0 349.431 3.346 20 5 EGBDRO Cc1cc(NC(=O)NC[C@H](c2ccccc2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000193532794 323839049 /nfs/dbraw/zinc/83/90/49/323839049.db2.gz YJRQMPOJFSGHPM-QGZVFWFLSA-N 1 0 342.399 3.328 20 5 EGBDRO CC(C)(C)OC(=O)NC[C@@H]1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000382449985 324250821 /nfs/dbraw/zinc/25/08/21/324250821.db2.gz MGZYKLVTOMUCET-CABCVRRESA-N 1 0 349.431 3.378 20 5 EGBDRO Cc1c(Br)c(N[C@@H](C)C[N@@H+](C)C(C)C)ncc1[N+](=O)[O-] ZINC000312745236 456593447 /nfs/dbraw/zinc/59/34/47/456593447.db2.gz VJQRVAGBTNOTIJ-VIFPVBQESA-N 1 0 345.241 3.201 20 5 EGBDRO O=[N+]([O-])c1cnc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)c(F)c1 ZINC000577350235 324791014 /nfs/dbraw/zinc/79/10/14/324791014.db2.gz XDLSTCBKKAHSKI-AWEZNQCLSA-N 1 0 336.411 3.221 20 5 EGBDRO [NH3+]CCC1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 ZINC000577384057 324798483 /nfs/dbraw/zinc/79/84/83/324798483.db2.gz FRSWUOMFHOFZAP-UHFFFAOYSA-N 1 0 333.413 3.011 20 5 EGBDRO C[NH+](C)C[C@H](CNc1ccc([N+](=O)[O-])nc1)c1ccc(Cl)cc1 ZINC000579840205 325166079 /nfs/dbraw/zinc/16/60/79/325166079.db2.gz NZEMUUDDQITPCQ-ZDUSSCGKSA-N 1 0 334.807 3.401 20 5 EGBDRO CO[C@@H]1COC[C@H]1[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000579951314 325181204 /nfs/dbraw/zinc/18/12/04/325181204.db2.gz CKYHSJQXIZGNNN-NJZAAPMLSA-N 1 0 348.424 3.388 20 5 EGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]Cc1cnn(CC(F)(F)F)c1 ZINC000580094298 325203131 /nfs/dbraw/zinc/20/31/31/325203131.db2.gz NBMFJYIESJDAFW-CYBMUJFWSA-N 1 0 340.305 3.131 20 5 EGBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000580920580 325309046 /nfs/dbraw/zinc/30/90/46/325309046.db2.gz JFUGVFAJEWRSOB-AWEZNQCLSA-N 1 0 336.436 3.454 20 5 EGBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CCC1=CCCCCC1 ZINC000583689487 325543924 /nfs/dbraw/zinc/54/39/24/325543924.db2.gz UHKZXZCIQYGWEF-INIZCTEOSA-N 1 0 334.416 3.205 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@]1(O)CCC[C@@H](C(F)(F)F)C1 ZINC000189627282 455224709 /nfs/dbraw/zinc/22/47/09/455224709.db2.gz YNNRSRUIKIKMNB-OCCSQVGLSA-N 1 0 332.322 3.168 20 5 EGBDRO Cc1ccc([C@@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)N2CCCC2)o1 ZINC000237886634 455228813 /nfs/dbraw/zinc/22/88/13/455228813.db2.gz GWPCOMXHRMJZPR-QGZVFWFLSA-N 1 0 329.400 3.423 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000173213731 455249260 /nfs/dbraw/zinc/24/92/60/455249260.db2.gz VCUYLPDZRABHGK-CQSZACIVSA-N 1 0 333.432 3.144 20 5 EGBDRO CC(C)OC(=O)C[C@@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])C(C)C ZINC000595560829 459347207 /nfs/dbraw/zinc/34/72/07/459347207.db2.gz FLNUVFINAKPGID-CQSZACIVSA-N 1 0 326.368 3.190 20 5 EGBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000189957612 455260138 /nfs/dbraw/zinc/26/01/38/455260138.db2.gz WHSYEAMJIUJWCR-AWEZNQCLSA-N 1 0 333.432 3.132 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccccc1 ZINC000007378916 453067762 /nfs/dbraw/zinc/06/77/62/453067762.db2.gz KKZHBDXHZAKLDD-QWHCGFSZSA-N 1 0 343.383 3.281 20 5 EGBDRO C[NH+](C)Cc1ccc(CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000008430836 453205459 /nfs/dbraw/zinc/20/54/59/453205459.db2.gz XHPHSXYOFOWVQZ-UHFFFAOYSA-N 1 0 347.802 3.240 20 5 EGBDRO O=[N+]([O-])c1ccc(CO)c(-c2cccc(C[NH2+]C3CCOCC3)c2)c1 ZINC000600782026 460601720 /nfs/dbraw/zinc/60/17/20/460601720.db2.gz HVZFXWXLDWFFMY-UHFFFAOYSA-N 1 0 342.395 3.023 20 5 EGBDRO COC(=O)c1ccc(-c2ccc([C@H]3CCC[NH2+]3)cc2)c([N+](=O)[O-])c1 ZINC000600783026 460601884 /nfs/dbraw/zinc/60/18/84/460601884.db2.gz BSRKPALHSMXLRL-MRXNPFEDSA-N 1 0 326.352 3.473 20 5 EGBDRO C[N@H+](Cc1cccc([N+](=O)[O-])c1)Cc1ccccc1N1CCOCC1 ZINC000016424488 453605963 /nfs/dbraw/zinc/60/59/63/453605963.db2.gz PLGDIVKXHLAREH-UHFFFAOYSA-N 1 0 341.411 3.063 20 5 EGBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]2c2ccccc2)c1 ZINC000022549287 453694432 /nfs/dbraw/zinc/69/44/32/453694432.db2.gz RGLZSROSVYYYIG-IEBWSBKVSA-N 1 0 342.395 3.172 20 5 EGBDRO C[NH+](C)[C@@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000024367073 453731736 /nfs/dbraw/zinc/73/17/36/453731736.db2.gz UWIFIXOHQQDNBM-ZDUSSCGKSA-N 1 0 334.401 3.081 20 5 EGBDRO O=C(C[N@@H+]1CCC[C@H]1Cc1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000025439702 453772707 /nfs/dbraw/zinc/77/27/07/453772707.db2.gz SLHFEWPNIBXUHL-INIZCTEOSA-N 1 0 339.395 3.240 20 5 EGBDRO Cc1ccc(C[N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000026224405 453794809 /nfs/dbraw/zinc/79/48/09/453794809.db2.gz MFWZURDSYOJMQD-UHFFFAOYSA-N 1 0 327.384 3.364 20 5 EGBDRO COc1ccccc1C[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000026223475 453795039 /nfs/dbraw/zinc/79/50/39/453795039.db2.gz JJVPQEATGGAKFJ-UHFFFAOYSA-N 1 0 343.383 3.064 20 5 EGBDRO O=C(NCC[NH+]1CCCCCC1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000030001397 453833204 /nfs/dbraw/zinc/83/32/04/453833204.db2.gz XUPJMQSUIVKQKS-UHFFFAOYSA-N 1 0 347.440 3.415 20 5 EGBDRO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000066473765 453847957 /nfs/dbraw/zinc/84/79/57/453847957.db2.gz QENKJDVUSKNVQM-ZBFHGGJFSA-N 1 0 333.432 3.112 20 5 EGBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)CCc1ccccc1 ZINC000053047719 453854332 /nfs/dbraw/zinc/85/43/32/453854332.db2.gz WQDZURDCQPLEBT-CQSZACIVSA-N 1 0 327.384 3.096 20 5 EGBDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000066726817 453867520 /nfs/dbraw/zinc/86/75/20/453867520.db2.gz KTFYBTNPGYONDA-UHFFFAOYSA-N 1 0 341.411 3.319 20 5 EGBDRO Cc1c(C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000053391948 453876183 /nfs/dbraw/zinc/87/61/83/453876183.db2.gz TUKNUQRKVYPOAH-ZDUSSCGKSA-N 1 0 333.432 3.144 20 5 EGBDRO CCN(C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1)CC(F)(F)F ZINC000081557109 453886058 /nfs/dbraw/zinc/88/60/58/453886058.db2.gz TURKLQFMHIODIG-AWEZNQCLSA-N 1 0 345.365 3.301 20 5 EGBDRO CN(c1ncccc1[N+](=O)[O-])C1CC[NH+](Cc2ccccc2)CC1 ZINC000034404107 453919200 /nfs/dbraw/zinc/91/92/00/453919200.db2.gz IWURRDNRRGWNDK-UHFFFAOYSA-N 1 0 326.400 3.091 20 5 EGBDRO Cc1cccc(C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000054287181 453920727 /nfs/dbraw/zinc/92/07/27/453920727.db2.gz NCLXAXABBRAFBH-CYBMUJFWSA-N 1 0 333.432 3.144 20 5 EGBDRO COc1ccc(C[N@@H+]2CCCN(c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000054370315 453925770 /nfs/dbraw/zinc/92/57/70/453925770.db2.gz DAYPJORGRFOKMO-UHFFFAOYSA-N 1 0 341.411 3.316 20 5 EGBDRO CO[C@]1(C)C[C@H]([N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)C1(C)C ZINC000083216352 453944162 /nfs/dbraw/zinc/94/41/62/453944162.db2.gz SSUZIJAILMWOJY-WMLDXEAASA-N 1 0 333.388 3.371 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1CNCc1ccccc1N(C)C ZINC000265837245 455390559 /nfs/dbraw/zinc/39/05/59/455390559.db2.gz FMJUHJGAAWOWOS-UHFFFAOYSA-N 1 0 329.400 3.349 20 5 EGBDRO O=[N+]([O-])c1ccc(NCC2([NH+]3CCCCC3)CCOCC2)c(F)c1 ZINC000076688285 454025903 /nfs/dbraw/zinc/02/59/03/454025903.db2.gz HZMUZMRDDBYZKA-UHFFFAOYSA-N 1 0 337.395 3.181 20 5 EGBDRO CC[NH+](CC)[C@H](CNC(=O)c1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000044314674 454096422 /nfs/dbraw/zinc/09/64/22/454096422.db2.gz YGYLOVKKEIASGM-OAHLLOKOSA-N 1 0 347.440 3.469 20 5 EGBDRO COc1ccc(NC(=O)CC[N@H+](C)CC2CCCCC2)c([N+](=O)[O-])c1 ZINC000044715153 454116254 /nfs/dbraw/zinc/11/62/54/454116254.db2.gz RNFJYIAZCCPPNO-UHFFFAOYSA-N 1 0 349.431 3.444 20 5 EGBDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000045624293 454170838 /nfs/dbraw/zinc/17/08/38/454170838.db2.gz QUHWICVEFDMPFJ-OAHLLOKOSA-N 1 0 348.447 3.049 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[N@@H+](C)C[C@H]1C(C)C ZINC000119939842 454239021 /nfs/dbraw/zinc/23/90/21/454239021.db2.gz WXNYWNQPLVKMPQ-INIZCTEOSA-N 1 0 334.420 3.016 20 5 EGBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000095978647 454248449 /nfs/dbraw/zinc/24/84/49/454248449.db2.gz UNTSCMIUHQHUDN-LSDHHAIUSA-N 1 0 349.456 3.063 20 5 EGBDRO O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1csc([N+](=O)[O-])c1 ZINC000078429264 454252380 /nfs/dbraw/zinc/25/23/80/454252380.db2.gz OTQSGZPUMDNOCL-OAHLLOKOSA-N 1 0 345.424 3.051 20 5 EGBDRO CC[NH+](CC)[C@H](CNC(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccco1 ZINC000060157073 454271313 /nfs/dbraw/zinc/27/13/13/454271313.db2.gz OCUHAPORKTYGQI-MRXNPFEDSA-N 1 0 345.399 3.309 20 5 EGBDRO CCC[N@H+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)C1 ZINC000078563699 454276003 /nfs/dbraw/zinc/27/60/03/454276003.db2.gz YXDZZEARCKXBIE-AWEZNQCLSA-N 1 0 328.416 3.311 20 5 EGBDRO CCC[N@H+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])c3cccnc32)C1 ZINC000078563620 454276813 /nfs/dbraw/zinc/27/68/13/454276813.db2.gz VWNWUKGKMZVHJL-CQSZACIVSA-N 1 0 328.416 3.311 20 5 EGBDRO Cc1ccc([C@@H](CNc2ncc(C)cc2[N+](=O)[O-])[NH+]2CCCC2)o1 ZINC000078657313 454293496 /nfs/dbraw/zinc/29/34/96/454293496.db2.gz WPPJNUIBGLMKKG-OAHLLOKOSA-N 1 0 330.388 3.449 20 5 EGBDRO C[C@H](NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000090523376 454315806 /nfs/dbraw/zinc/31/58/06/454315806.db2.gz VITCAPWANQBMSX-KYNGSXCRSA-N 1 0 347.459 3.013 20 5 EGBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1nc(-c2ccccc2)cs1 ZINC000090538806 454318187 /nfs/dbraw/zinc/31/81/87/454318187.db2.gz MJJKJCIVSRVNKF-LBPRGKRZSA-N 1 0 343.412 3.266 20 5 EGBDRO CC[C@H](Cc1ccccc1)[N@H+](CC)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090552308 454319969 /nfs/dbraw/zinc/31/99/69/454319969.db2.gz VPIWOAUCIOJYTB-QGZVFWFLSA-N 1 0 343.427 3.100 20 5 EGBDRO CSC[C@@](C)(O)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000120634232 454327571 /nfs/dbraw/zinc/32/75/71/454327571.db2.gz PKOAYJFNLPJISP-INIZCTEOSA-N 1 0 336.413 3.058 20 5 EGBDRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(F)cc1[N+](=O)[O-])CC(C)C ZINC000132510493 454345357 /nfs/dbraw/zinc/34/53/57/454345357.db2.gz RDWLHPWUAGPZSH-CQSZACIVSA-N 1 0 339.411 3.220 20 5 EGBDRO Cc1cccc(C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000047415831 454369394 /nfs/dbraw/zinc/36/93/94/454369394.db2.gz YARHVQIAROUEDG-KBPBESRZSA-N 1 0 333.432 3.001 20 5 EGBDRO CC[C@@H](CSC)[N@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000091097837 454383152 /nfs/dbraw/zinc/38/31/52/454383152.db2.gz LYOGPYQJOWVLML-LBPRGKRZSA-N 1 0 336.417 3.218 20 5 EGBDRO Cc1nc(C(C)C)sc1[C@H](C)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000121046892 454383784 /nfs/dbraw/zinc/38/37/84/454383784.db2.gz BSQQUKPKBNCNBP-LBPRGKRZSA-N 1 0 337.449 3.373 20 5 EGBDRO C[C@@H]([NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)C(N)=O ZINC000073051760 454387926 /nfs/dbraw/zinc/38/79/26/454387926.db2.gz PHTKXEYGKNKTMO-SNVBAGLBSA-N 1 0 349.774 3.004 20 5 EGBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+](C2CC2)C2CCCCC2)c1 ZINC000047904179 454417955 /nfs/dbraw/zinc/41/79/55/454417955.db2.gz WZVLUWSSTGNRAU-QGZVFWFLSA-N 1 0 334.416 3.132 20 5 EGBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000063695143 454436947 /nfs/dbraw/zinc/43/69/47/454436947.db2.gz LUYUMTYLGUSIDZ-GFCCVEGCSA-N 1 0 339.823 3.098 20 5 EGBDRO C[NH+](C)Cc1ccccc1NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000048174008 454452084 /nfs/dbraw/zinc/45/20/84/454452084.db2.gz BHTSAYQIKBAZAQ-UHFFFAOYSA-N 1 0 342.399 3.097 20 5 EGBDRO C[C@@]1(c2ccccc2)C[N@H+](CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000121638777 454460822 /nfs/dbraw/zinc/46/08/22/454460822.db2.gz WZMZBJLOQGFYJT-IBGZPJMESA-N 1 0 326.396 3.385 20 5 EGBDRO O=C(NC1CC[NH+](CC2CCCC2)CC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000133819325 454471179 /nfs/dbraw/zinc/47/11/79/454471179.db2.gz UCYOWJUUPGVTNF-UHFFFAOYSA-N 1 0 349.406 3.118 20 5 EGBDRO COC(=O)[C@@H](C)[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000079922428 454499779 /nfs/dbraw/zinc/49/97/79/454499779.db2.gz KOYWDGQLCJIVLU-GUYCJALGSA-N 1 0 328.368 3.235 20 5 EGBDRO Cc1cccc(C(=O)N2CCC[C@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)c1[N+](=O)[O-] ZINC000064725547 454499965 /nfs/dbraw/zinc/49/99/65/454499965.db2.gz GRXRJFQGBFXLJW-XHSDSOJGSA-N 1 0 345.443 3.381 20 5 EGBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000064725855 454501067 /nfs/dbraw/zinc/50/10/67/454501067.db2.gz NTMNZGNQMJRXFS-VBQJREDUSA-N 1 0 331.416 3.072 20 5 EGBDRO COC(=O)c1ccc(C[N@H+](C)Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000079955587 454505468 /nfs/dbraw/zinc/50/54/68/454505468.db2.gz VXSVQOVRDURUHF-UHFFFAOYSA-N 1 0 328.368 3.322 20 5 EGBDRO Cc1ccc(C[N@@H+]2CCCN(c3nccs3)CC2)cc1[N+](=O)[O-] ZINC000092482519 454573289 /nfs/dbraw/zinc/57/32/89/454573289.db2.gz XQVYGUAKNZVCNI-UHFFFAOYSA-N 1 0 332.429 3.072 20 5 EGBDRO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000134654493 454575125 /nfs/dbraw/zinc/57/51/25/454575125.db2.gz FNENVKDSZVAWBC-HIFRSBDPSA-N 1 0 349.431 3.472 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CC[C@H](C[NH+]3CCCC3)C2)c2ncccc12 ZINC000092656560 454602489 /nfs/dbraw/zinc/60/24/89/454602489.db2.gz ZQEVIIHVCGEMKX-CQSZACIVSA-N 1 0 326.400 3.065 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CC[C@H](C[NH+]3CCCC3)C2)cc1OC(F)F ZINC000092656542 454602672 /nfs/dbraw/zinc/60/26/72/454602672.db2.gz QOWLRXWPRCUWFU-GFCCVEGCSA-N 1 0 341.358 3.118 20 5 EGBDRO Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000123149844 454607635 /nfs/dbraw/zinc/60/76/35/454607635.db2.gz SUYQHGLUAAPHJH-OAHLLOKOSA-N 1 0 341.411 3.453 20 5 EGBDRO O=[N+]([O-])c1ccc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(F)c1 ZINC000134936539 454612075 /nfs/dbraw/zinc/61/20/75/454612075.db2.gz YZQHMXINYVPCGE-KDOFPFPSSA-N 1 0 333.407 3.183 20 5 EGBDRO CN(c1ccc([N+](=O)[O-])cn1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000074775051 454633383 /nfs/dbraw/zinc/63/33/83/454633383.db2.gz HFUNXCLWFYLTBO-KRWDZBQOSA-N 1 0 326.400 3.091 20 5 EGBDRO CC(C)c1ccc(C[NH2+]C[C@H](O)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000105493395 454640321 /nfs/dbraw/zinc/64/03/21/454640321.db2.gz CQQQNTJRZRXIHW-QGZVFWFLSA-N 1 0 328.412 3.411 20 5 EGBDRO C[C@H]1CCCC[N@@H+]1CCCCNc1nc2sccn2c1[N+](=O)[O-] ZINC000052247450 454664163 /nfs/dbraw/zinc/66/41/63/454664163.db2.gz GEPVMEJBBQYWAP-LBPRGKRZSA-N 1 0 337.449 3.371 20 5 EGBDRO COCC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H]1CC[C@@H](C)C1 ZINC000616873167 460650340 /nfs/dbraw/zinc/65/03/40/460650340.db2.gz WUDXPUQMMPYHKC-CHWSQXEVSA-N 1 0 333.388 3.373 20 5 EGBDRO C[C@H]([NH2+][C@H]1CCN(C(=O)C2CCCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000123742061 454671053 /nfs/dbraw/zinc/67/10/53/454671053.db2.gz PUABWFAUTZVNDQ-YOEHRIQHSA-N 1 0 345.443 3.427 20 5 EGBDRO COc1cc(C[N@@H+](C)C2CCC(OC)CC2)c([N+](=O)[O-])cc1OC ZINC000093414986 454713267 /nfs/dbraw/zinc/71/32/67/454713267.db2.gz QJUZKMGXFOGABC-UHFFFAOYSA-N 1 0 338.404 3.001 20 5 EGBDRO COc1ccc([C@H](CO)[N@H+](C)Cc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000093415442 454713780 /nfs/dbraw/zinc/71/37/80/454713780.db2.gz PLXFFSRZYQDHAC-SFHVURJKSA-N 1 0 330.384 3.077 20 5 EGBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000152877247 454736184 /nfs/dbraw/zinc/73/61/84/454736184.db2.gz PLKRFISQDATAGY-RDJZCZTQSA-N 1 0 347.459 3.358 20 5 EGBDRO COC[C@@H]([NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])C(C)C ZINC000162190306 454757593 /nfs/dbraw/zinc/75/75/93/454757593.db2.gz NTUDWACLJUDKCW-GFCCVEGCSA-N 1 0 331.210 3.118 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000163082876 454821425 /nfs/dbraw/zinc/82/14/25/454821425.db2.gz IAGBVZVVYOIKMO-ZDUSSCGKSA-N 1 0 334.420 3.147 20 5 EGBDRO CC[C@H]1CCCC[C@@H]1[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000163269075 454835927 /nfs/dbraw/zinc/83/59/27/454835927.db2.gz DTBLGGKEVADNDL-BBRMVZONSA-N 1 0 331.416 3.042 20 5 EGBDRO CCCNC(=O)C1([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCCCC1 ZINC000154529253 454904380 /nfs/dbraw/zinc/90/43/80/454904380.db2.gz LLNLTNXSBOODGD-CSKARUKUSA-N 1 0 345.443 3.427 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCN(C(=O)C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000126888228 454924977 /nfs/dbraw/zinc/92/49/77/454924977.db2.gz XSFIARNNLPDCST-YOEHRIQHSA-N 1 0 345.443 3.345 20 5 EGBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000113527042 454929016 /nfs/dbraw/zinc/92/90/16/454929016.db2.gz VORVBDQZLROBDV-AWEZNQCLSA-N 1 0 334.420 3.289 20 5 EGBDRO CCC[N@H+](CC)CCNC(=O)c1cc([N+](=O)[O-])ccc1SCC ZINC000126974898 454930008 /nfs/dbraw/zinc/93/00/08/454930008.db2.gz YQVYLCKCDBBPFE-UHFFFAOYSA-N 1 0 339.461 3.169 20 5 EGBDRO O=C(C[NH2+][C@@H](Cc1ccccc1)C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000178205700 454942401 /nfs/dbraw/zinc/94/24/01/454942401.db2.gz AUGXHKZKLLMWLK-KRWDZBQOSA-N 1 0 339.395 3.144 20 5 EGBDRO C[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])C(C)(C)c1ccccc1 ZINC000155102231 454963281 /nfs/dbraw/zinc/96/32/81/454963281.db2.gz VCGIHIRJEVSSNS-CQSZACIVSA-N 1 0 341.411 3.489 20 5 EGBDRO O=C(C[NH+](CC1CC1)CC1CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000115562881 455021188 /nfs/dbraw/zinc/02/11/88/455021188.db2.gz IBELLHJHWREZLK-UHFFFAOYSA-N 1 0 337.807 3.309 20 5 EGBDRO C[NH+](C)CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(C)(C)C ZINC000116128381 455043717 /nfs/dbraw/zinc/04/37/17/455043717.db2.gz KAIGEULXZYCHIO-CQSZACIVSA-N 1 0 341.839 3.344 20 5 EGBDRO CC(=O)Nc1cccc2c1CCN(Cc1c(F)cccc1[N+](=O)[O-])C2 ZINC000171631365 455081305 /nfs/dbraw/zinc/08/13/05/455081305.db2.gz LWHUURHYCCDBGA-UHFFFAOYSA-N 1 0 343.358 3.251 20 5 EGBDRO C[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)Cc1ccsc1 ZINC000117334093 455083841 /nfs/dbraw/zinc/08/38/41/455083841.db2.gz HQLYSRIREUXWHF-UHFFFAOYSA-N 1 0 347.396 3.086 20 5 EGBDRO C[C@@H]1CCCC[C@H]1[N@H+](C)CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000117334879 455084054 /nfs/dbraw/zinc/08/40/54/455084054.db2.gz JMHGIVSOBNDFSJ-UKRRQHHQSA-N 1 0 347.415 3.403 20 5 EGBDRO CC[C@@H]([NH2+]C[C@@H](O)COc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000152573389 455137778 /nfs/dbraw/zinc/13/77/78/455137778.db2.gz FVPRYZCYEVIOHU-SJLPKXTDSA-N 1 0 348.374 3.215 20 5 EGBDRO Cc1ccc(F)cc1C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000180178071 455145239 /nfs/dbraw/zinc/14/52/39/455145239.db2.gz LTFJFGQWNGKFHZ-OAHLLOKOSA-N 1 0 330.363 3.124 20 5 EGBDRO C[C@H]([NH2+]CC(=O)N(C)[C@H]1CCCC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000180417167 455166025 /nfs/dbraw/zinc/16/60/25/455166025.db2.gz TWCOJLAQBNPIDA-KEYYUXOJSA-N 1 0 333.432 3.283 20 5 EGBDRO C[C@H]([NH2+]CC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000180427471 455167952 /nfs/dbraw/zinc/16/79/52/455167952.db2.gz YDKXTEVVEKPUPH-VWPFQQQWSA-N 1 0 333.432 3.186 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[NH+](CCOC(C)C)CC1 ZINC000182819634 455171264 /nfs/dbraw/zinc/17/12/64/455171264.db2.gz JOQORFJAPRSEJN-INIZCTEOSA-N 1 0 335.448 3.007 20 5 EGBDRO CCOC(=O)N1CCC([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000189360494 455184820 /nfs/dbraw/zinc/18/48/20/455184820.db2.gz OOTFHZVPBNCOHE-CQSZACIVSA-N 1 0 349.431 3.250 20 5 EGBDRO COc1ccc(NC(=O)CC[NH2+][C@H](C)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000182934655 455194364 /nfs/dbraw/zinc/19/43/64/455194364.db2.gz GMSUCEOVDRGAAU-CYBMUJFWSA-N 1 0 349.431 3.490 20 5 EGBDRO O=[N+]([O-])c1cc(C[NH2+]CC2CCN(CC(F)(F)F)CC2)cs1 ZINC000189459948 455200312 /nfs/dbraw/zinc/20/03/12/455200312.db2.gz OTLPYKQVIMMRKY-UHFFFAOYSA-N 1 0 337.367 3.020 20 5 EGBDRO Cc1c([C@@H](C)[NH2+]CCCOCC2CCOCC2)cccc1[N+](=O)[O-] ZINC000157497825 455200659 /nfs/dbraw/zinc/20/06/59/455200659.db2.gz ZNHLAJATNOUIGS-OAHLLOKOSA-N 1 0 336.432 3.387 20 5 EGBDRO Cc1c(NC(=O)NCC[C@H](C)[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000183019933 455210733 /nfs/dbraw/zinc/21/07/33/455210733.db2.gz HSLCPCQXAWEQOT-ZDUSSCGKSA-N 1 0 334.420 3.289 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[NH+]2CCC(Oc3ccc(F)nc3)CC2)cc1 ZINC000190533360 455338182 /nfs/dbraw/zinc/33/81/82/455338182.db2.gz NNEUGBGHROIAMN-UHFFFAOYSA-N 1 0 345.374 3.215 20 5 EGBDRO C[C@H](NC(=O)c1ccc([N+](=O)[O-])s1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181498569 455344160 /nfs/dbraw/zinc/34/41/60/455344160.db2.gz GLHPCQCELMZUHW-NWDGAFQWSA-N 1 0 337.445 3.039 20 5 EGBDRO CCCC(O)(CCC)C[NH2+]Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000265665570 455358635 /nfs/dbraw/zinc/35/86/35/455358635.db2.gz TXKAQIORVWAGPW-UHFFFAOYSA-N 1 0 340.420 3.033 20 5 EGBDRO COc1cc(C[NH2+][C@@H](C)[C@@H]2COc3ccccc32)c([N+](=O)[O-])cc1F ZINC000184408765 455378091 /nfs/dbraw/zinc/37/80/91/455378091.db2.gz XSISGYNQXSQQPO-FZMZJTMJSA-N 1 0 346.358 3.397 20 5 EGBDRO COc1cc(C[N@@H+]2CC[C@@H](C)[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000245882055 455391314 /nfs/dbraw/zinc/39/13/14/455391314.db2.gz BESCBFXTBWHFRN-MNOVXSKESA-N 1 0 344.358 3.478 20 5 EGBDRO C[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000265867821 455396866 /nfs/dbraw/zinc/39/68/66/455396866.db2.gz UTIXPCGKXGYXGR-CZUORRHYSA-N 1 0 349.431 3.330 20 5 EGBDRO CC(C)([NH2+]CCn1cc([N+](=O)[O-])cn1)c1cccc(C(F)(F)F)c1 ZINC000265968264 455417364 /nfs/dbraw/zinc/41/73/64/455417364.db2.gz AKSRUDROWXNPRR-UHFFFAOYSA-N 1 0 342.321 3.335 20 5 EGBDRO Cn1cc(C[N@H+](C)Cc2cccnc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000182034936 455421182 /nfs/dbraw/zinc/42/11/82/455421182.db2.gz ANTPUUUKWFYMDB-UHFFFAOYSA-N 1 0 337.383 3.022 20 5 EGBDRO CC[C@H](C)C[N@H+](CC)CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000160539606 455471625 /nfs/dbraw/zinc/47/16/25/455471625.db2.gz ALPBGBFUSNBOAG-ZDUSSCGKSA-N 1 0 337.420 3.300 20 5 EGBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000175780903 455496039 /nfs/dbraw/zinc/49/60/39/455496039.db2.gz WTRIJCLYTHPGJN-NWDGAFQWSA-N 1 0 339.823 3.098 20 5 EGBDRO O=[N+]([O-])c1cccc(F)c1CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246509708 455503523 /nfs/dbraw/zinc/50/35/23/455503523.db2.gz IDXFKWKLMBJHQQ-SUMWQHHRSA-N 1 0 333.407 3.183 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000192118239 455559678 /nfs/dbraw/zinc/55/96/78/455559678.db2.gz JSKKNHBMICNEKI-RDJZCZTQSA-N 1 0 334.322 3.493 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@H](CNC(=O)C(C)C)C1 ZINC000182736673 455578631 /nfs/dbraw/zinc/57/86/31/455578631.db2.gz HGQSIYDKQMKHSJ-HZPDHXFCSA-N 1 0 347.459 3.448 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC(CO)(Cc3ccccc3)CC2)cc1 ZINC000277621032 455616538 /nfs/dbraw/zinc/61/65/38/455616538.db2.gz AIKNNEGXWYUTJH-UHFFFAOYSA-N 1 0 340.423 3.412 20 5 EGBDRO COc1ccc([C@H](C[NH+](C)C)NCc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000284209134 455652051 /nfs/dbraw/zinc/65/20/51/455652051.db2.gz ZIBWQSJYAYLVKF-SFHVURJKSA-N 1 0 343.427 3.304 20 5 EGBDRO C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)C1(c2ccccc2)CCCC1 ZINC000185953155 455661536 /nfs/dbraw/zinc/66/15/36/455661536.db2.gz XUXOMDOYMJOSRN-HNNXBMFYSA-N 1 0 328.416 3.281 20 5 EGBDRO O=C(C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)Nc1ccc(F)cc1 ZINC000192784759 455692502 /nfs/dbraw/zinc/69/25/02/455692502.db2.gz OLYOUPFAWVWJKA-QGZVFWFLSA-N 1 0 343.358 3.340 20 5 EGBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000292570490 455701116 /nfs/dbraw/zinc/70/11/16/455701116.db2.gz FWBRSJLRUQRYLF-NSHDSACASA-N 1 0 327.812 3.098 20 5 EGBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H]1c1cccs1 ZINC000248374564 455708852 /nfs/dbraw/zinc/70/88/52/455708852.db2.gz RNPBVMHWPARIKI-ZFWWWQNUSA-N 1 0 348.424 3.233 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H]1CCCO[C@H]1CC(C)C ZINC000186398554 455761246 /nfs/dbraw/zinc/76/12/46/455761246.db2.gz CFDMCXZOXCYZMF-IRXDYDNUSA-N 1 0 349.431 3.025 20 5 EGBDRO C[C@]12CC[N@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C[C@H]1C2(Cl)Cl ZINC000284970986 455770326 /nfs/dbraw/zinc/77/03/26/455770326.db2.gz XPXKZUUSVSNSJM-MCIONIFRSA-N 1 0 345.226 3.144 20 5 EGBDRO Cn1ncc2c1CCC[C@@H]2[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278287447 455806718 /nfs/dbraw/zinc/80/67/18/455806718.db2.gz QSPLSXODUNSVHM-SJORKVTESA-N 1 0 326.400 3.373 20 5 EGBDRO C[C@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000285306319 455821245 /nfs/dbraw/zinc/82/12/45/455821245.db2.gz SGYFASIDGHSVFJ-QWRGUYRKSA-N 1 0 330.344 3.497 20 5 EGBDRO C[C@H]([NH2+]CC[C@](C)(O)c1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285325859 455823973 /nfs/dbraw/zinc/82/39/73/455823973.db2.gz UABMCNFQOHHBDT-UGSOOPFHSA-N 1 0 329.400 3.125 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1COC3(CCCC3)O1)CCC2 ZINC000278377181 455833784 /nfs/dbraw/zinc/83/37/84/455833784.db2.gz CQLNEOSFTNOOCR-WBVHZDCISA-N 1 0 332.400 3.248 20 5 EGBDRO Cc1ccc(NC(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])c(C[NH+](C)C)c1 ZINC000269324395 455835517 /nfs/dbraw/zinc/83/55/17/455835517.db2.gz CNOUJDSINGAHAX-UHFFFAOYSA-N 1 0 345.403 3.064 20 5 EGBDRO COc1ccc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])cc1[N+](=O)[O-] ZINC000285431629 455845372 /nfs/dbraw/zinc/84/53/72/455845372.db2.gz WTSUIKZQTLEWSD-UHFFFAOYSA-N 1 0 345.355 3.186 20 5 EGBDRO Cc1ccccc1NC(=O)[C@@H](C)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000285446703 455847591 /nfs/dbraw/zinc/84/75/91/455847591.db2.gz YAQMRDQKGLSJHK-OAHLLOKOSA-N 1 0 341.411 3.405 20 5 EGBDRO CCOc1cc(C[N@H+]2CCC3(CC(OCC)C3)C2)ccc1[N+](=O)[O-] ZINC000285623083 455883871 /nfs/dbraw/zinc/88/38/71/455883871.db2.gz YDVCRRQINMSPEU-UHFFFAOYSA-N 1 0 334.416 3.385 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C/CN1CC[NH2+]C[C@H]1c1cccc(F)c1 ZINC000261773518 455944799 /nfs/dbraw/zinc/94/47/99/455944799.db2.gz SNIAQIDWPXCBHD-QTWIXLPOSA-N 1 0 341.386 3.394 20 5 EGBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000195333355 455944980 /nfs/dbraw/zinc/94/49/80/455944980.db2.gz UYMUNRGZZYYMID-AWEZNQCLSA-N 1 0 347.419 3.352 20 5 EGBDRO Cn1ccnc1[C@H]([NH2+]C[C@@H]1CC=CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000272470328 455961392 /nfs/dbraw/zinc/96/13/92/455961392.db2.gz AERNIUFTFFJICI-RHSMWYFYSA-N 1 0 326.400 3.364 20 5 EGBDRO C[C@@](O)(C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C(F)(F)F ZINC000270568114 455985081 /nfs/dbraw/zinc/98/50/81/455985081.db2.gz SKCVGTOTMCDJHB-CQSZACIVSA-N 1 0 344.289 3.258 20 5 EGBDRO CCC(=O)c1ccc(N2C[C@H]([NH+]3CCCC3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000286262764 456011390 /nfs/dbraw/zinc/01/13/90/456011390.db2.gz GUCGGSAOXIFKFH-UKRRQHHQSA-N 1 0 331.416 3.251 20 5 EGBDRO CC[C@@H]1CO[C@@H](C)CN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000270672405 456011526 /nfs/dbraw/zinc/01/15/26/456011526.db2.gz XKXAXICKJXKUBN-SWLSCSKDSA-N 1 0 331.372 3.249 20 5 EGBDRO C[C@@H]1CCC[C@H](CO)[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000272696775 456043267 /nfs/dbraw/zinc/04/32/67/456043267.db2.gz VJWMHDKICHALSJ-CZUORRHYSA-N 1 0 345.399 3.028 20 5 EGBDRO COCC1(CNc2c(Cl)cc([N+](=O)[O-])cc2Cl)CC[NH2+]CC1 ZINC000262556163 456043797 /nfs/dbraw/zinc/04/37/97/456043797.db2.gz UGOVXGUYOUZJFP-UHFFFAOYSA-N 1 0 348.230 3.330 20 5 EGBDRO O=[N+]([O-])c1ccc2nccc(N3CCC[C@@H]([NH+]4CCCC4)C3)c2c1 ZINC000601104620 460712615 /nfs/dbraw/zinc/71/26/15/460712615.db2.gz BIQBJFPBEVQIED-OAHLLOKOSA-N 1 0 326.400 3.208 20 5 EGBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000296922660 456068018 /nfs/dbraw/zinc/06/80/18/456068018.db2.gz UESGPVAHXXBRHS-GJZGRUSLSA-N 1 0 348.447 3.075 20 5 EGBDRO COc1cc(F)cc(OC)c1C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000601107829 460713694 /nfs/dbraw/zinc/71/36/94/460713694.db2.gz ANINKCWRQVDRPL-UHFFFAOYSA-N 1 0 334.347 3.083 20 5 EGBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000301278869 456079117 /nfs/dbraw/zinc/07/91/17/456079117.db2.gz JNVYTDIWSOMDMQ-MRXNPFEDSA-N 1 0 326.400 3.375 20 5 EGBDRO Cc1ccnc(NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)c1[N+](=O)[O-] ZINC000301310622 456087074 /nfs/dbraw/zinc/08/70/74/456087074.db2.gz ZZHAUTRZCDWRMQ-KRWDZBQOSA-N 1 0 340.427 3.275 20 5 EGBDRO Cc1ccnc(N[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000301310252 456087203 /nfs/dbraw/zinc/08/72/03/456087203.db2.gz ZDUMGOWZNHXKLE-INIZCTEOSA-N 1 0 326.400 3.375 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000280994932 456104584 /nfs/dbraw/zinc/10/45/84/456104584.db2.gz NKLBSJJAKXGVHL-INIZCTEOSA-N 1 0 345.443 3.430 20 5 EGBDRO C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1=CC[N@H+](C)CC1 ZINC000272916445 456111372 /nfs/dbraw/zinc/11/13/72/456111372.db2.gz FUHUYRULPLGNIE-JTQLQIEISA-N 1 0 338.795 3.020 20 5 EGBDRO Cc1cc(N2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)ncc1[N+](=O)[O-] ZINC000301420032 456111427 /nfs/dbraw/zinc/11/14/27/456111427.db2.gz DQBGVBLYYDASAX-MRXNPFEDSA-N 1 0 340.427 3.399 20 5 EGBDRO COc1cc(N(C)C2CC[NH+](C(C)C)CC2)c(F)cc1[N+](=O)[O-] ZINC000271077686 456119538 /nfs/dbraw/zinc/11/95/38/456119538.db2.gz HQSNPEYNJKTPFE-UHFFFAOYSA-N 1 0 325.384 3.052 20 5 EGBDRO C[C@H]1c2ccsc2CC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000272961181 456126209 /nfs/dbraw/zinc/12/62/09/456126209.db2.gz SFUFVHGSPWQOSN-QWHCGFSZSA-N 1 0 348.424 3.015 20 5 EGBDRO CCOc1cc(NCC[N@@H+]2CCc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000301512774 456133916 /nfs/dbraw/zinc/13/39/16/456133916.db2.gz IZKCRLQUHRNYQE-UHFFFAOYSA-N 1 0 341.411 3.464 20 5 EGBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000272986124 456135547 /nfs/dbraw/zinc/13/55/47/456135547.db2.gz ZTQZBLOVIHAGNH-GJZGRUSLSA-N 1 0 348.424 3.233 20 5 EGBDRO C[C@H]1CCC[N@H+](CCNc2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000301557607 456147028 /nfs/dbraw/zinc/14/70/28/456147028.db2.gz XCMMXFOIKIVVQY-NSHDSACASA-N 1 0 329.347 3.340 20 5 EGBDRO CC[N@@H+]1CCCC[C@H]1CNc1ccc(C(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000301573146 456150311 /nfs/dbraw/zinc/15/03/11/456150311.db2.gz YTIUDDXMQUSYLI-HNNXBMFYSA-N 1 0 348.447 3.019 20 5 EGBDRO Cc1cc(C2CC[NH+](CCCOc3ccc([N+](=O)[O-])cc3)CC2)[nH]n1 ZINC000273031480 456152191 /nfs/dbraw/zinc/15/21/91/456152191.db2.gz UMGZQVXUTBEKRD-UHFFFAOYSA-N 1 0 344.415 3.275 20 5 EGBDRO CC(C)OCCC[N@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000271189322 456163497 /nfs/dbraw/zinc/16/34/97/456163497.db2.gz LADXMONPVNEAOP-UHFFFAOYSA-N 1 0 346.431 3.242 20 5 EGBDRO C[C@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCC1(F)F ZINC000289899490 456173544 /nfs/dbraw/zinc/17/35/44/456173544.db2.gz SIUZISGRUWUQIA-JTQLQIEISA-N 1 0 345.321 3.040 20 5 EGBDRO Cc1cc(NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000273188259 456206967 /nfs/dbraw/zinc/20/69/67/456206967.db2.gz MPTQDTZEMZVQAN-SFHVURJKSA-N 1 0 341.411 3.082 20 5 EGBDRO CCOc1cc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)ccc1[N+](=O)[O-] ZINC000301789253 456215414 /nfs/dbraw/zinc/21/54/14/456215414.db2.gz PZXCQOPXTNYSLY-WMLDXEAASA-N 1 0 345.443 3.447 20 5 EGBDRO CC(C)[NH+]1CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1 ZINC000301878770 456240060 /nfs/dbraw/zinc/24/00/60/456240060.db2.gz OOFFXQNBNZAXSE-UHFFFAOYSA-N 1 0 326.400 3.187 20 5 EGBDRO CC[C@H](C)[NH+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000297522659 456241980 /nfs/dbraw/zinc/24/19/80/456241980.db2.gz SEWHUYAFNLKSOB-NSHDSACASA-N 1 0 340.811 3.196 20 5 EGBDRO C[NH+](C)[C@@H](CNc1cc(Br)ccc1[N+](=O)[O-])C1CC1 ZINC000301983558 456264541 /nfs/dbraw/zinc/26/45/41/456264541.db2.gz KCOOFPHTZYUNPG-ZDUSSCGKSA-N 1 0 328.210 3.109 20 5 EGBDRO CC[C@H]1CN(c2nccc(C)c2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000302161701 456303831 /nfs/dbraw/zinc/30/38/31/456303831.db2.gz PPSYNAKMBPAJCL-KRWDZBQOSA-N 1 0 340.427 3.399 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000275747182 456303964 /nfs/dbraw/zinc/30/39/64/456303964.db2.gz KIKWZVWKGQCVAF-HNNXBMFYSA-N 1 0 346.431 3.099 20 5 EGBDRO CC[NH+](CC)CCCCNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000340303116 456373213 /nfs/dbraw/zinc/37/32/13/456373213.db2.gz VSKBYRLCMFFLPA-UHFFFAOYSA-N 1 0 335.448 3.111 20 5 EGBDRO C[NH+](C)[C@@H](CNC(=O)c1cc2ccccc2c2cccnc12)C1CC1 ZINC000340318111 456384908 /nfs/dbraw/zinc/38/49/08/456384908.db2.gz TYQSMMHWNABOCB-IBGZPJMESA-N 1 0 333.435 3.458 20 5 EGBDRO CCCN(CC[NH+]1CCCC1)Cc1ccc([N+](=O)[O-])c(OCC)c1 ZINC000352886859 456390732 /nfs/dbraw/zinc/39/07/32/456390732.db2.gz RJBDQEDQDCNDKB-UHFFFAOYSA-N 1 0 335.448 3.301 20 5 EGBDRO COc1ccncc1C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000340402413 456439039 /nfs/dbraw/zinc/43/90/39/456439039.db2.gz FSDLVVFEIVUEAF-YOEHRIQHSA-N 1 0 341.411 3.499 20 5 EGBDRO CC(C)[N@H+](C)CCCNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000298401535 456446253 /nfs/dbraw/zinc/44/62/53/456446253.db2.gz RBNDFLHRFPSUIB-UHFFFAOYSA-N 1 0 328.800 3.100 20 5 EGBDRO CC[C@@H](C[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1)OC ZINC000353149003 456522219 /nfs/dbraw/zinc/52/22/19/456522219.db2.gz GZFAATGKXWPSKH-LBPRGKRZSA-N 1 0 334.372 3.378 20 5 EGBDRO CCNc1ccc(C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000343323812 456531762 /nfs/dbraw/zinc/53/17/62/456531762.db2.gz TUDYIAJUHMJRMU-ZIAGYGMSSA-N 1 0 348.447 3.019 20 5 EGBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000291462934 456650046 /nfs/dbraw/zinc/65/00/46/456650046.db2.gz IIMUMJUDUYGHCD-JTQLQIEISA-N 1 0 346.214 3.068 20 5 EGBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000299363256 456668795 /nfs/dbraw/zinc/66/87/95/456668795.db2.gz JHWGTVHELDQLDC-CYBMUJFWSA-N 1 0 345.399 3.191 20 5 EGBDRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000299452865 456698875 /nfs/dbraw/zinc/69/88/75/456698875.db2.gz AAGBYBFOOKWKOV-INIZCTEOSA-N 1 0 345.443 3.179 20 5 EGBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)cc1F ZINC000283252676 456745320 /nfs/dbraw/zinc/74/53/20/456745320.db2.gz VMWYQHSTWLUNEK-XJKSGUPXSA-N 1 0 334.347 3.415 20 5 EGBDRO Cn1cccc1[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283290593 456752706 /nfs/dbraw/zinc/75/27/06/456752706.db2.gz MPQOBOXLUWJLSL-QGZVFWFLSA-N 1 0 342.399 3.099 20 5 EGBDRO CCSCC[C@H](C)[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283377312 456768311 /nfs/dbraw/zinc/76/83/11/456768311.db2.gz SSVDHPYATMLJMT-ZDUSSCGKSA-N 1 0 339.461 3.387 20 5 EGBDRO CC[C@H]1CC[C@H](C)[N@@H+]1CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000299726477 456775703 /nfs/dbraw/zinc/77/57/03/456775703.db2.gz UXOBYXVHJMHFMC-STQMWFEESA-N 1 0 335.404 3.195 20 5 EGBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccc(-n2ccnc2)cc1 ZINC000338355456 456783814 /nfs/dbraw/zinc/78/38/14/456783814.db2.gz WVJIVTBGMYUBKX-UHFFFAOYSA-N 1 0 336.395 3.455 20 5 EGBDRO COc1ccc(CN2CC[N@H+](C)Cc3ccccc32)cc1[N+](=O)[O-] ZINC000353588044 456784981 /nfs/dbraw/zinc/78/49/81/456784981.db2.gz KTQXTNDBQFPKPO-UHFFFAOYSA-N 1 0 327.384 3.055 20 5 EGBDRO COc1ccc(CC[C@@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])cc1O ZINC000277350537 456789578 /nfs/dbraw/zinc/78/95/78/456789578.db2.gz YXCSQWQYDBNGRP-CYBMUJFWSA-N 1 0 330.384 3.420 20 5 EGBDRO C[C@@H](CCNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)[NH+]1CCCCC1 ZINC000344946668 456873186 /nfs/dbraw/zinc/87/31/86/456873186.db2.gz RPRBXGOLGUKILU-ZDUSSCGKSA-N 1 0 344.415 3.070 20 5 EGBDRO Cc1ccc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1C ZINC000353737316 456880093 /nfs/dbraw/zinc/88/00/93/456880093.db2.gz ILSPKXPFKHGRNA-INIZCTEOSA-N 1 0 326.400 3.293 20 5 EGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCN(C2CC2)C1 ZINC000349249436 456923482 /nfs/dbraw/zinc/92/34/82/456923482.db2.gz VJJMHBGVFHWVNT-UONOGXRCSA-N 1 0 335.473 3.292 20 5 EGBDRO CCOC(=O)C[C@H](C)[N@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000339084565 456933202 /nfs/dbraw/zinc/93/32/02/456933202.db2.gz QNIPHVWMRLNKDE-JTQLQIEISA-N 1 0 348.321 3.387 20 5 EGBDRO O=[N+]([O-])c1cccc(C[N@@H+](Cc2ccccc2)CC2(CO)CC2)c1 ZINC000341939306 457015052 /nfs/dbraw/zinc/01/50/52/457015052.db2.gz OSYPXURKMJIFKV-UHFFFAOYSA-N 1 0 326.396 3.370 20 5 EGBDRO COc1ccc(-c2ccc(C[NH+]3CCC(OC)CC3)o2)c([N+](=O)[O-])c1 ZINC000349745797 457036242 /nfs/dbraw/zinc/03/62/42/457036242.db2.gz DDONYRQTAKZRFV-UHFFFAOYSA-N 1 0 346.383 3.474 20 5 EGBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000356589905 457070525 /nfs/dbraw/zinc/07/05/25/457070525.db2.gz AUIBKMRTGGQWBI-LBPRGKRZSA-N 1 0 339.461 3.167 20 5 EGBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000330722180 457077199 /nfs/dbraw/zinc/07/71/99/457077199.db2.gz CHGRKALWHOGUQY-LLVKDONJSA-N 1 0 339.823 3.051 20 5 EGBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000354444402 457226302 /nfs/dbraw/zinc/22/63/02/457226302.db2.gz ZYHDWBTWMJBHNK-RYUDHWBXSA-N 1 0 339.823 3.193 20 5 EGBDRO CC1CCC([NH+]2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000360051667 457227163 /nfs/dbraw/zinc/22/71/63/457227163.db2.gz GZJKSUDULZYXPK-UHFFFAOYSA-N 1 0 346.431 3.323 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccnn2-c2ccc(F)cc2)cc1 ZINC000354548687 457282980 /nfs/dbraw/zinc/28/29/80/457282980.db2.gz VGDBCGGBRVZIQB-UHFFFAOYSA-N 1 0 326.331 3.209 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000332395060 457361860 /nfs/dbraw/zinc/36/18/60/457361860.db2.gz OJWQPXWWWZEHOM-UHFFFAOYSA-N 1 0 345.443 3.302 20 5 EGBDRO CN(c1ccccc1)c1ccc(C[N@H+](C)C2CC(O)C2)cc1[N+](=O)[O-] ZINC000355361392 457363508 /nfs/dbraw/zinc/36/35/08/457363508.db2.gz HIWONVYTWXYALB-UHFFFAOYSA-N 1 0 341.411 3.318 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(Cn2cncn2)CC1 ZINC000347372142 457382315 /nfs/dbraw/zinc/38/23/15/457382315.db2.gz KKZQLBQXDZBQQO-OQLLNIDSSA-N 1 0 341.415 3.002 20 5 EGBDRO C[C@@H]([NH2+][C@H]1CC[C@@H](C(=O)N2CCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000373897784 457390060 /nfs/dbraw/zinc/39/00/60/457390060.db2.gz COBWDQJPVOIFPJ-BMFZPTHFSA-N 1 0 331.416 3.037 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2ccc(CN3CCC[C@@]4(CC[NH2+]C4)C3)o2)c1 ZINC000352545218 457454288 /nfs/dbraw/zinc/45/42/88/457454288.db2.gz HGYCBVBOJSMIJP-IBGZPJMESA-N 1 0 341.411 3.430 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(O[C@@H]2CCOC2)CC1 ZINC000352546418 457456468 /nfs/dbraw/zinc/45/64/68/457456468.db2.gz UYKVVSLQCKCBKW-RHSMWYFYSA-N 1 0 334.416 3.234 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 ZINC000363946339 457465408 /nfs/dbraw/zinc/46/54/08/457465408.db2.gz MWLMFVRSNKTYQH-YRBFXIGRSA-N 1 0 334.416 3.233 20 5 EGBDRO COc1ccc(OCC[N@@H+]2CC[C@H](c3ccco3)C2)c([N+](=O)[O-])c1 ZINC000374141043 457492729 /nfs/dbraw/zinc/49/27/29/457492729.db2.gz KPFYPRDCGYBIRH-ZDUSSCGKSA-N 1 0 332.356 3.065 20 5 EGBDRO C[N@@H+]1CCCC[C@H]1CCC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000356156719 457494585 /nfs/dbraw/zinc/49/45/85/457494585.db2.gz UPWKOJKOFCCBDF-ZDUSSCGKSA-N 1 0 339.823 3.129 20 5 EGBDRO C[N@@H+](Cc1ccc(Br)cc1[N+](=O)[O-])C[C@@H]1CCCOC1 ZINC000425399327 457535391 /nfs/dbraw/zinc/53/53/91/457535391.db2.gz DIQJXXIMHDAMPB-NSHDSACASA-N 1 0 343.221 3.216 20 5 EGBDRO CC(C)c1ccc(C[N@@H+]2CCOC3(CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000364239249 457540725 /nfs/dbraw/zinc/54/07/25/457540725.db2.gz UADFYWWPNVAJLA-UHFFFAOYSA-N 1 0 348.443 3.490 20 5 EGBDRO CCc1cnccc1[C@H](C)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000361136601 457605748 /nfs/dbraw/zinc/60/57/48/457605748.db2.gz RBIFOLRKBYQUNA-ZDUSSCGKSA-N 1 0 342.399 3.150 20 5 EGBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000361165485 457624268 /nfs/dbraw/zinc/62/42/68/457624268.db2.gz JNPBQVAHZIKGKI-CHWSQXEVSA-N 1 0 346.456 3.243 20 5 EGBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000361165487 457625218 /nfs/dbraw/zinc/62/52/18/457625218.db2.gz JNPBQVAHZIKGKI-QWHCGFSZSA-N 1 0 346.456 3.243 20 5 EGBDRO COC1CCN(C(C)(C)C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000361209975 457646646 /nfs/dbraw/zinc/64/66/46/457646646.db2.gz WDQJLNCYOIYXCS-HNNXBMFYSA-N 1 0 349.475 3.443 20 5 EGBDRO C[C@@H]([NH2+][C@H]1CCC(=O)NC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000358127469 457802701 /nfs/dbraw/zinc/80/27/01/457802701.db2.gz JVMYLISKVOYORR-NEPJUHHUSA-N 1 0 345.424 3.253 20 5 EGBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000426499287 457844316 /nfs/dbraw/zinc/84/43/16/457844316.db2.gz KAKMOHXSGLSKGA-AWEZNQCLSA-N 1 0 335.448 3.370 20 5 EGBDRO C[C@H](c1ccncc1)[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411422435 457883667 /nfs/dbraw/zinc/88/36/67/457883667.db2.gz NPXDADLPPRMVGD-CYBMUJFWSA-N 1 0 328.372 3.011 20 5 EGBDRO CC[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCCC[C@H]1C ZINC000444660231 457930971 /nfs/dbraw/zinc/93/09/71/457930971.db2.gz FTGYEEJGTVTKCN-OWCLPIDISA-N 1 0 336.432 3.235 20 5 EGBDRO CC(C)[C@H](CC(F)(F)F)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000411623072 457931747 /nfs/dbraw/zinc/93/17/47/457931747.db2.gz ZEJQIFJYPIIWEL-LBPRGKRZSA-N 1 0 347.337 3.490 20 5 EGBDRO CC(C)[C@H]1CCC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000444751610 457966450 /nfs/dbraw/zinc/96/64/50/457966450.db2.gz BPCNXONIKCUPFC-WMLDXEAASA-N 1 0 331.416 3.068 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCC[N@@H+]1CCCC(C)(C)C1 ZINC000445168902 458021962 /nfs/dbraw/zinc/02/19/62/458021962.db2.gz YTFSTMNRBUFWLS-UHFFFAOYSA-N 1 0 348.447 3.455 20 5 EGBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000435003348 458078269 /nfs/dbraw/zinc/07/82/69/458078269.db2.gz LYWXBLXYQQMHDE-AEFFLSMTSA-N 1 0 347.459 3.441 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCC2(CCCC2)C1 ZINC000445868816 458106520 /nfs/dbraw/zinc/10/65/20/458106520.db2.gz KGVSXPRTHDTRNJ-UHFFFAOYSA-N 1 0 331.416 3.498 20 5 EGBDRO C[NH2+][C@@H]1CCN(Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000435398477 458138031 /nfs/dbraw/zinc/13/80/31/458138031.db2.gz PHYVSBCSMHERLT-OAHLLOKOSA-N 1 0 345.374 3.320 20 5 EGBDRO CSc1ccc(C(=O)N2CCCC23CC[NH+](C)CC3)cc1[N+](=O)[O-] ZINC000362388551 458144755 /nfs/dbraw/zinc/14/47/55/458144755.db2.gz GROASTAUCUUWTO-UHFFFAOYSA-N 1 0 349.456 3.017 20 5 EGBDRO C[C@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000412703785 458277712 /nfs/dbraw/zinc/27/77/12/458277712.db2.gz YJHQDHOXQBVFTO-ZDUSSCGKSA-N 1 0 345.424 3.003 20 5 EGBDRO CCC1(CC)[C@H]([NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1OC ZINC000429287449 458309045 /nfs/dbraw/zinc/30/90/45/458309045.db2.gz UHUJYLANYWKWFC-HZPDHXFCSA-N 1 0 349.431 3.107 20 5 EGBDRO CCO[C@H](CC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)C(C)C ZINC000447562771 458311627 /nfs/dbraw/zinc/31/16/27/458311627.db2.gz MYCPDAWNKUXBOX-BZUAXINKSA-N 1 0 338.452 3.316 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1Cc2cccc(O)c2C1 ZINC000429322019 458315733 /nfs/dbraw/zinc/31/57/33/458315733.db2.gz HAZIVCMSDLSFCD-OAHLLOKOSA-N 1 0 342.395 3.345 20 5 EGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]Cc2ccc3c(c2)COC3)n1 ZINC000447586099 458316789 /nfs/dbraw/zinc/31/67/89/458316789.db2.gz LOOYEKMFOLLYFA-DLBZAZTESA-N 1 0 342.399 3.095 20 5 EGBDRO O=C(c1cc2ccccc2c2cccnc12)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000373057856 458387952 /nfs/dbraw/zinc/38/79/52/458387952.db2.gz PQVFPWODYOAULZ-IFXJQAMLSA-N 1 0 331.419 3.212 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1CN1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000430203828 458421040 /nfs/dbraw/zinc/42/10/40/458421040.db2.gz JIMQKENLQYTJEQ-DAYGRLMNSA-N 1 0 347.459 3.441 20 5 EGBDRO C[C@H]1CCCC[C@]1(C)[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000459616860 458429236 /nfs/dbraw/zinc/42/92/36/458429236.db2.gz QMXWYWANZSCZST-UGSOOPFHSA-N 1 0 331.416 3.042 20 5 EGBDRO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000430817544 458495213 /nfs/dbraw/zinc/49/52/13/458495213.db2.gz UEIGLOSMLOFRKW-STQMWFEESA-N 1 0 339.461 3.287 20 5 EGBDRO Cc1cc(C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)cc([N+](=O)[O-])c1 ZINC000437833811 458499353 /nfs/dbraw/zinc/49/93/53/458499353.db2.gz BHBYFMFFWQLRSA-KRWDZBQOSA-N 1 0 345.443 3.430 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000437848209 458501510 /nfs/dbraw/zinc/50/15/10/458501510.db2.gz DDKZDSDVOJLYNB-QGZVFWFLSA-N 1 0 345.443 3.430 20 5 EGBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@]3(CCCc4ccccc43)C2)c1 ZINC000438553639 458596884 /nfs/dbraw/zinc/59/68/84/458596884.db2.gz MQUMHBBFPNGSFB-LJQANCHMSA-N 1 0 340.427 3.161 20 5 EGBDRO CCCNC(=O)C1CC[NH+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000470172249 458621560 /nfs/dbraw/zinc/62/15/60/458621560.db2.gz UFCATSNFPBOOHL-QINSGFPZSA-N 1 0 345.443 3.236 20 5 EGBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC000462607151 458634484 /nfs/dbraw/zinc/63/44/84/458634484.db2.gz NJTBZJFSVLGPHY-BFYDXBDKSA-N 1 0 347.459 3.105 20 5 EGBDRO Cc1cccc(C)c1[C@H](C)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000546932996 458688439 /nfs/dbraw/zinc/68/84/39/458688439.db2.gz WETNYSQXMXGPPS-HOTGVXAUSA-N 1 0 344.411 3.302 20 5 EGBDRO C[C@H]1CN(c2ccnc3c2cccc3[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000432142331 458688552 /nfs/dbraw/zinc/68/85/52/458688552.db2.gz DNOLRJLJNXQQMS-CQSZACIVSA-N 1 0 340.427 3.454 20 5 EGBDRO CC[C@H](C)[NH+]1CCN(C(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)CC1 ZINC000456524117 458701416 /nfs/dbraw/zinc/70/14/16/458701416.db2.gz GJDKQYCPWDNLTC-AWEZNQCLSA-N 1 0 333.432 3.076 20 5 EGBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2ccc(F)c(Cl)c2Cl)c1 ZINC000432257463 458705868 /nfs/dbraw/zinc/70/58/68/458705868.db2.gz WGJZHRSGUDAHOJ-UHFFFAOYSA-N 1 0 333.150 3.027 20 5 EGBDRO C[C@@H]1C[N@@H+](CCCNc2c(Cl)cccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000432324407 458715517 /nfs/dbraw/zinc/71/55/17/458715517.db2.gz IARZUZIHVPTMTD-TXEJJXNPSA-N 1 0 327.812 3.159 20 5 EGBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000547321041 458719980 /nfs/dbraw/zinc/71/99/80/458719980.db2.gz QBDUSDPRXDHNGL-IRXDYDNUSA-N 1 0 347.459 3.010 20 5 EGBDRO C[N@@H+]1CC[C@H]2CCN(Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)[C@H]2C1 ZINC000495087710 458796746 /nfs/dbraw/zinc/79/67/46/458796746.db2.gz KXWMKZNMUWQWEB-KSSFIOAISA-N 1 0 341.411 3.381 20 5 EGBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(c2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000473519777 458832985 /nfs/dbraw/zinc/83/29/85/458832985.db2.gz OFJKJNVBOLEXRX-HNNXBMFYSA-N 1 0 340.427 3.311 20 5 EGBDRO CCc1ccc(C(=O)N2CCC(C[N@H+](C)C(C)C)CC2)cc1[N+](=O)[O-] ZINC000530836817 458833514 /nfs/dbraw/zinc/83/35/14/458833514.db2.gz SUGXBXZRSIRBRF-UHFFFAOYSA-N 1 0 347.459 3.350 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]CCOC(F)(F)F ZINC000474029995 458856130 /nfs/dbraw/zinc/85/61/30/458856130.db2.gz JBXDHWHHHKFQLN-YPMHNXCESA-N 1 0 332.322 3.432 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCCCC[N@@H+](C)C1CC1 ZINC000457161091 458885351 /nfs/dbraw/zinc/88/53/51/458885351.db2.gz CQXUZMRIUFHFBG-UHFFFAOYSA-N 1 0 333.432 3.124 20 5 EGBDRO CCC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](CC)c1ccccc1 ZINC000441285262 458912930 /nfs/dbraw/zinc/91/29/30/458912930.db2.gz LLMCAYYOTUQLOS-ROUUACIJSA-N 1 0 346.431 3.016 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@]1(CO)CCCc2ccccc21 ZINC000441372047 458929715 /nfs/dbraw/zinc/92/97/15/458929715.db2.gz WOQVNQGPFZKBNI-CLOLKSBNSA-N 1 0 338.407 3.422 20 5 EGBDRO CC[C@H]1C[C@H](C)C[N@@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000467208548 458958584 /nfs/dbraw/zinc/95/85/84/458958584.db2.gz UDNBKNHZNHTOER-STQMWFEESA-N 1 0 333.388 3.013 20 5 EGBDRO CC(=O)NCC[C@@H]1CCC[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000567085667 459044862 /nfs/dbraw/zinc/04/48/62/459044862.db2.gz DDVKFMHXIRZZQF-JMPLCFMRSA-N 1 0 345.443 3.236 20 5 EGBDRO COCC(=O)Nc1cccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000532197095 459044852 /nfs/dbraw/zinc/04/48/52/459044852.db2.gz CCDPKNXUCVYJKM-CYBMUJFWSA-N 1 0 343.383 3.031 20 5 EGBDRO O=C(C[N@@H+]1CCC[C@H]1C1CCC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000477624486 459051069 /nfs/dbraw/zinc/05/10/69/459051069.db2.gz FAWJTXPIVCIORP-AWEZNQCLSA-N 1 0 337.807 3.451 20 5 EGBDRO COc1ccc(C[C@](C)([NH3+])CNc2c(F)cccc2[N+](=O)[O-])cc1 ZINC000557636828 459093652 /nfs/dbraw/zinc/09/36/52/459093652.db2.gz DMTZMVSOEAADHE-KRWDZBQOSA-N 1 0 333.363 3.115 20 5 EGBDRO [NH3+][C@H](CCC(=O)NCc1cccc([N+](=O)[O-])c1)CC1CCCCC1 ZINC000567659304 459139956 /nfs/dbraw/zinc/13/99/56/459139956.db2.gz RSKZOUGPCABCFR-MRXNPFEDSA-N 1 0 333.432 3.289 20 5 EGBDRO O=C1[C@H]([NH+]2CCC3(CCCC3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000558425165 459157091 /nfs/dbraw/zinc/15/70/91/459157091.db2.gz SEEOKNZQXXNMTR-QGZVFWFLSA-N 1 0 343.427 3.356 20 5 EGBDRO CC[C@@H](C)[C@H](C)[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000532966498 459165983 /nfs/dbraw/zinc/16/59/83/459165983.db2.gz PSIJFSXXFCOZPE-KGLIPLIRSA-N 1 0 333.432 3.457 20 5 EGBDRO COC[C@H](C)Oc1ccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000594919314 459175890 /nfs/dbraw/zinc/17/58/90/459175890.db2.gz IAWYMXAJTBGDFY-HNNXBMFYSA-N 1 0 344.411 3.341 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000567907532 459188857 /nfs/dbraw/zinc/18/88/57/459188857.db2.gz KUAYDNZPAGAYGM-KZIRBZLESA-N 1 0 329.444 3.416 20 5 EGBDRO COc1ccc(-c2ccc(C[NH2+][C@@H](C)C3(CO)CC3)o2)c([N+](=O)[O-])c1 ZINC000594969519 459199965 /nfs/dbraw/zinc/19/99/65/459199965.db2.gz PZQAFFJWWMPHGT-LBPRGKRZSA-N 1 0 346.383 3.114 20 5 EGBDRO COc1ccc(CN[C@@H]2CC[N@@H+](C3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000594978276 459204343 /nfs/dbraw/zinc/20/43/43/459204343.db2.gz RSIDTFNAICFNLJ-OAHLLOKOSA-N 1 0 333.432 3.100 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC000595003375 459211724 /nfs/dbraw/zinc/21/17/24/459211724.db2.gz FEXJKUTUPUBXPC-WFASDCNBSA-N 1 0 328.368 3.258 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCN1Cc2ccccc2C1 ZINC000595008725 459214452 /nfs/dbraw/zinc/21/44/52/459214452.db2.gz RSWYEJOYEOEEHK-CQSZACIVSA-N 1 0 341.411 3.270 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC1CC[NH+](C2CCC2)CC1 ZINC000595015466 459216800 /nfs/dbraw/zinc/21/68/00/459216800.db2.gz NSYKRWGXTHBRNL-CYBMUJFWSA-N 1 0 333.432 3.271 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000595016900 459217283 /nfs/dbraw/zinc/21/72/83/459217283.db2.gz ATDLSNUAIOORAU-HYEYJGRESA-N 1 0 334.416 3.458 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@]1(C)CCO[C@H]1C1CC1 ZINC000595032909 459223616 /nfs/dbraw/zinc/22/36/16/459223616.db2.gz MUNHKFXCXYHUNJ-IGNZVWTISA-N 1 0 334.416 3.459 20 5 EGBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCCOC(C)(C)C ZINC000595076328 459238804 /nfs/dbraw/zinc/23/88/04/459238804.db2.gz INWDUVVICYFVBS-CYBMUJFWSA-N 1 0 337.420 3.107 20 5 EGBDRO C[C@H](c1ccccc1)[C@@H](O)C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000595109942 459248237 /nfs/dbraw/zinc/24/82/37/459248237.db2.gz XKPOHCQUGQGMDF-FMEYXAORSA-N 1 0 326.396 3.336 20 5 EGBDRO C[C@@H](NC(=O)C[C@@H]1[NH2+]Cc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000595250464 459262996 /nfs/dbraw/zinc/26/29/96/459262996.db2.gz STKVBPXPOPLXKY-PXAZEXFGSA-N 1 0 325.368 3.007 20 5 EGBDRO Cc1noc(CN(C)Cc2ccccc2N2CCCC2)c1[N+](=O)[O-] ZINC000595285223 459265988 /nfs/dbraw/zinc/26/59/88/459265988.db2.gz QABAFEAORUBHIF-UHFFFAOYSA-N 1 0 330.388 3.123 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](C2CCC2)C1 ZINC000591062097 459303251 /nfs/dbraw/zinc/30/32/51/459303251.db2.gz VHGGOVLXTFMULG-CQSZACIVSA-N 1 0 347.415 3.054 20 5 EGBDRO Cc1noc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H](C)CC[C@H]2O)c1[N+](=O)[O-] ZINC000595467679 459314000 /nfs/dbraw/zinc/31/40/00/459314000.db2.gz SWQFHBBWRAZKGY-FAAHXZRKSA-N 1 0 337.420 3.043 20 5 EGBDRO C[N@@H+]1CCC[C@H]2CN(c3nccc4ccc([N+](=O)[O-])cc43)CC[C@H]21 ZINC000591151129 459323405 /nfs/dbraw/zinc/32/34/05/459323405.db2.gz UMDAPFIOENKNLT-WMLDXEAASA-N 1 0 326.400 3.064 20 5 EGBDRO O=[N+]([O-])c1ccccc1CN1CCC([NH2+]Cc2ccccc2)CC1 ZINC000595509995 459330317 /nfs/dbraw/zinc/33/03/17/459330317.db2.gz ISIZMLXBTTUDBM-UHFFFAOYSA-N 1 0 325.412 3.349 20 5 EGBDRO CC1(c2cccc(Cl)c2)CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000483225395 459350946 /nfs/dbraw/zinc/35/09/46/459350946.db2.gz DYRQFOUHRHBNNZ-UHFFFAOYSA-N 1 0 348.834 3.498 20 5 EGBDRO CN(C(=O)C[N@@H+]1CCC[C@@H](C(C)(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000483241320 459352348 /nfs/dbraw/zinc/35/23/48/459352348.db2.gz SPPKMNRBBLHFMU-CQSZACIVSA-N 1 0 333.432 3.316 20 5 EGBDRO COC1(C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CCOCC1 ZINC000591348220 459358498 /nfs/dbraw/zinc/35/84/98/459358498.db2.gz FGXWVVPDPTYGKE-QGZVFWFLSA-N 1 0 334.416 3.148 20 5 EGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](c3ccccc3)[C@H](CO)C2)c(F)c1 ZINC000595747487 459424648 /nfs/dbraw/zinc/42/46/48/459424648.db2.gz KCHIRIIFDHFRIP-FUHWJXTLSA-N 1 0 344.386 3.332 20 5 EGBDRO CC(C)CC1([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000595832504 459457970 /nfs/dbraw/zinc/45/79/70/459457970.db2.gz WHIULASTSWHHMQ-UHFFFAOYSA-N 1 0 325.796 3.355 20 5 EGBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2C[C@H](c3ccccc3)[C@@H]3CCCC[C@@H]32)c1 ZINC000485884377 459476831 /nfs/dbraw/zinc/47/68/31/459476831.db2.gz WZKRHEYMCONFDF-OTWHNJEPSA-N 1 0 340.427 3.450 20 5 EGBDRO C[NH+](C)CCc1ccccc1NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000525846659 459504892 /nfs/dbraw/zinc/50/48/92/459504892.db2.gz BXFGOHFZUPSILY-UHFFFAOYSA-N 1 0 342.399 3.021 20 5 EGBDRO CCCC[C@H](C)[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000562058899 459507315 /nfs/dbraw/zinc/50/73/15/459507315.db2.gz VAASSULLMLUJTP-ZDUSSCGKSA-N 1 0 337.420 3.443 20 5 EGBDRO O=[N+]([O-])c1cccc(Br)c1NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000596078942 459511122 /nfs/dbraw/zinc/51/11/22/459511122.db2.gz FVFKKSXGYZCWBM-JTQLQIEISA-N 1 0 340.221 3.254 20 5 EGBDRO CC(C)CC[C@@H]1CCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000486798841 459521831 /nfs/dbraw/zinc/52/18/31/459521831.db2.gz ZADWJPWXJVXGAN-RDJZCZTQSA-N 1 0 336.432 3.235 20 5 EGBDRO CN(CC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])Cc1ccccc1 ZINC000569868433 459523664 /nfs/dbraw/zinc/52/36/64/459523664.db2.gz YEJDOCFDCOTQFR-GOSISDBHSA-N 1 0 325.412 3.304 20 5 EGBDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(c2c(Cl)cncc2[N+](=O)[O-])C1 ZINC000596138922 459533647 /nfs/dbraw/zinc/53/36/47/459533647.db2.gz HNKZWEWUMVQGGB-CQSZACIVSA-N 1 0 346.818 3.354 20 5 EGBDRO C[C@@]1(Cc2ccccc2F)CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000592144054 459536226 /nfs/dbraw/zinc/53/62/26/459536226.db2.gz ZOAOXEYOIJQYGS-KRWDZBQOSA-N 1 0 332.379 3.028 20 5 EGBDRO CCOc1cc(C[N@@H+]2CC3(C[C@@H]2C)CCOCC3)ccc1[N+](=O)[O-] ZINC000592185084 459544590 /nfs/dbraw/zinc/54/45/90/459544590.db2.gz VEBIVACJPYBAJN-AWEZNQCLSA-N 1 0 334.416 3.385 20 5 EGBDRO CC[N@@H+]1C[C@H](C)N(C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000498230762 459574815 /nfs/dbraw/zinc/57/48/15/459574815.db2.gz BLIBYLRJEDJIMU-ILXRZTDVSA-N 1 0 348.447 3.088 20 5 EGBDRO C[N@H+](Cc1ccccc1)C1(CNc2cc[nH]c(=O)c2[N+](=O)[O-])CCC1 ZINC000596255366 459576062 /nfs/dbraw/zinc/57/60/62/459576062.db2.gz QNSYPQMOIIILAZ-UHFFFAOYSA-N 1 0 342.399 3.162 20 5 EGBDRO CC[C@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)NCc1cccs1 ZINC000592396763 459590739 /nfs/dbraw/zinc/59/07/39/459590739.db2.gz QZAJQJQEVAFVOM-WBMJQRKESA-N 1 0 347.440 3.402 20 5 EGBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1[C@H](C)C[N@@H+](CC)C[C@@H]1C ZINC000572917200 459594608 /nfs/dbraw/zinc/59/46/08/459594608.db2.gz BYAXZFNJNZFIRB-UXLLHSPISA-N 1 0 347.459 3.105 20 5 EGBDRO CC[C@@H]1CN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[C@@H]1[NH3+] ZINC000592427767 459598945 /nfs/dbraw/zinc/59/89/45/459598945.db2.gz ZPVAIOXJHSZGAC-WBMJQRKESA-N 1 0 346.456 3.278 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(CN3CC[C@@H]4CC[NH2+][C@@H]4C3)o2)cc1 ZINC000592432370 459599517 /nfs/dbraw/zinc/59/95/17/459599517.db2.gz FXFRHMIEZWFZMW-SUMWQHHRSA-N 1 0 327.384 3.039 20 5 EGBDRO CC[C@H]1CN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000592544677 459629415 /nfs/dbraw/zinc/62/94/15/459629415.db2.gz GKKRYUYMJPEHCC-SWLSCSKDSA-N 1 0 333.432 3.092 20 5 EGBDRO C[N@H+](CCC1CCCCC1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000543206298 459635501 /nfs/dbraw/zinc/63/55/01/459635501.db2.gz LUCTVARWRXRDBP-INIZCTEOSA-N 1 0 336.432 3.237 20 5 EGBDRO C[N@H+](CCc1ccccc1)[C@H]1CCN(c2ccc([N+](=O)[O-])s2)C1 ZINC000596466660 459645901 /nfs/dbraw/zinc/64/59/01/459645901.db2.gz FNNXAYPCBWFGSJ-HNNXBMFYSA-N 1 0 331.441 3.410 20 5 EGBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC000596467203 459647060 /nfs/dbraw/zinc/64/70/60/459647060.db2.gz OXGWOUWBQPRIFA-QGZVFWFLSA-N 1 0 340.427 3.051 20 5 EGBDRO CC1(C)CN(CCOc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccncc1 ZINC000596590791 459687503 /nfs/dbraw/zinc/68/75/03/459687503.db2.gz GIKKFQFVRDYCCM-KRWDZBQOSA-N 1 0 327.384 3.452 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000596633830 459705973 /nfs/dbraw/zinc/70/59/73/459705973.db2.gz DDGMWJYSCGAYDC-HNNXBMFYSA-N 1 0 346.431 3.147 20 5 EGBDRO CCSCC[C@@H](C)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000584405668 459729242 /nfs/dbraw/zinc/72/92/42/459729242.db2.gz VBWZZXYTPBZJAU-GFCCVEGCSA-N 1 0 325.434 3.045 20 5 EGBDRO CCC1CCC([N@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000544142744 459733463 /nfs/dbraw/zinc/73/34/63/459733463.db2.gz AEKPORNVZWJBOC-GPANFISMSA-N 1 0 336.432 3.235 20 5 EGBDRO Cc1cc(NC(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000596821669 459770747 /nfs/dbraw/zinc/77/07/47/459770747.db2.gz XYSZZGXTBKBPNF-CYBMUJFWSA-N 1 0 334.420 3.145 20 5 EGBDRO Cc1ccc(C[NH2+]CCNc2ccc3ccccc3n2)cc1[N+](=O)[O-] ZINC000566043816 459796514 /nfs/dbraw/zinc/79/65/14/459796514.db2.gz NRZJDQKHHXCUHW-UHFFFAOYSA-N 1 0 336.395 3.075 20 5 EGBDRO CCc1nn(C)c(Nc2ccc(CC[NH+]3CCCC3)cc2)c1[N+](=O)[O-] ZINC000574309905 459804739 /nfs/dbraw/zinc/80/47/39/459804739.db2.gz JLBGMHQDQNHRAS-UHFFFAOYSA-N 1 0 343.431 3.273 20 5 EGBDRO CN1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)Cc2ccccc21 ZINC000609040801 459900850 /nfs/dbraw/zinc/90/08/50/459900850.db2.gz GVNIUPYUEROEKH-UHFFFAOYSA-N 1 0 341.411 3.316 20 5 EGBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCCO[C@@H](c3ccccc3)C2)cc1 ZINC000609233706 459928385 /nfs/dbraw/zinc/92/83/85/459928385.db2.gz GYQFPBLDHCOOLW-LJQANCHMSA-N 1 0 342.395 3.437 20 5 EGBDRO Cc1ccc2c(c1)[C@H]([NH2+]Cc1cc3c(cc1[N+](=O)[O-])OCCO3)CC2 ZINC000593676374 459946347 /nfs/dbraw/zinc/94/63/47/459946347.db2.gz GKKNLIRCDJPUFI-MRXNPFEDSA-N 1 0 340.379 3.452 20 5 EGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@H+]1CCC[C@H](CCO)C1 ZINC000602462903 459950150 /nfs/dbraw/zinc/95/01/50/459950150.db2.gz DVQPBMYATQIBHD-LLVKDONJSA-N 1 0 332.322 3.208 20 5 EGBDRO COc1ccc(C[NH2+]C(C)(C)C(=O)Nc2ccccc2)cc1[N+](=O)[O-] ZINC000609392939 459958583 /nfs/dbraw/zinc/95/85/83/459958583.db2.gz DZBXFHVVKHCMEJ-UHFFFAOYSA-N 1 0 343.383 3.110 20 5 EGBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]C1CC(c3ccccc3)C1)OCCO2 ZINC000609440777 459961764 /nfs/dbraw/zinc/96/17/64/459961764.db2.gz PTKFIJKWLUCYFS-UHFFFAOYSA-N 1 0 340.379 3.402 20 5 EGBDRO Cc1cc(NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])ccc1C[NH+](C)C ZINC000593740097 459969139 /nfs/dbraw/zinc/96/91/39/459969139.db2.gz PDNLYYWWGHAPHL-UHFFFAOYSA-N 1 0 345.374 3.285 20 5 EGBDRO C[NH2+]C1(CNc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])CCC1 ZINC000598632449 459970511 /nfs/dbraw/zinc/97/05/11/459970511.db2.gz CYXKIJDJCPKSEM-UHFFFAOYSA-N 1 0 339.395 3.380 20 5 EGBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNCc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602515470 459978193 /nfs/dbraw/zinc/97/81/93/459978193.db2.gz WALNIIBDOGWWEU-OKILXGFUSA-N 1 0 346.431 3.194 20 5 EGBDRO C[NH+]1CCC(N(C(=O)c2ccc([N+](=O)[O-])s2)c2ccccc2)CC1 ZINC000609566810 459983757 /nfs/dbraw/zinc/98/37/57/459983757.db2.gz OEHXQACWCPHGHB-UHFFFAOYSA-N 1 0 345.424 3.397 20 5 EGBDRO CC(=O)N1CC[C@@H]([NH2+]CCc2ccccc2[N+](=O)[O-])c2ccccc21 ZINC000598677429 459990455 /nfs/dbraw/zinc/99/04/55/459990455.db2.gz HAKIYCVHKZICJC-QGZVFWFLSA-N 1 0 339.395 3.225 20 5 EGBDRO COc1ccccc1O[C@H](C)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602561797 459997773 /nfs/dbraw/zinc/99/77/73/459997773.db2.gz FZWNVLBMJWTRLW-CQSZACIVSA-N 1 0 330.384 3.203 20 5 EGBDRO C[C@@H]([NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)C1CCOCC1 ZINC000602571727 460002297 /nfs/dbraw/zinc/00/22/97/460002297.db2.gz XDWRLVPETUSDFW-MRVPVSSYSA-N 1 0 349.250 3.324 20 5 EGBDRO C[C@H]([NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)C1CCOCC1 ZINC000602571733 460002479 /nfs/dbraw/zinc/00/24/79/460002479.db2.gz XDWRLVPETUSDFW-QMMMGPOBSA-N 1 0 349.250 3.324 20 5 EGBDRO Cc1ccncc1[C@@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602582099 460009252 /nfs/dbraw/zinc/00/92/52/460009252.db2.gz NUYFOROLZAHPHE-CQSZACIVSA-N 1 0 341.415 3.013 20 5 EGBDRO CC[C@@H](CC(F)(F)F)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602615964 460024507 /nfs/dbraw/zinc/02/45/07/460024507.db2.gz JRVBOJSYTQYCAJ-NSHDSACASA-N 1 0 346.353 3.279 20 5 EGBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1ncc([N+](=O)[O-])cc1Cl ZINC000609892015 460036016 /nfs/dbraw/zinc/03/60/16/460036016.db2.gz AJEHMFWMDGXIBE-UTUOFQBUSA-N 1 0 326.828 3.422 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@]2(CO)C[C@@H]2c2ccc(F)cc2)cc1 ZINC000602640740 460037371 /nfs/dbraw/zinc/03/73/71/460037371.db2.gz ZMBOTDYYBXOYNQ-MOPGFXCFSA-N 1 0 344.386 3.032 20 5 EGBDRO C[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccsc1 ZINC000602657283 460047501 /nfs/dbraw/zinc/04/75/01/460047501.db2.gz DFZKEECGTGELHE-GFCCVEGCSA-N 1 0 332.429 3.371 20 5 EGBDRO CN1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)CC12CCCCC2 ZINC000593997961 460047507 /nfs/dbraw/zinc/04/75/07/460047507.db2.gz GUIHFRMFJSKJIX-UHFFFAOYSA-N 1 0 347.459 3.314 20 5 EGBDRO CCC[C@]1([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CCOC1 ZINC000602660542 460050113 /nfs/dbraw/zinc/05/01/13/460050113.db2.gz FLQWIVXDGAJIMV-LBPRGKRZSA-N 1 0 349.250 3.468 20 5 EGBDRO C[C@@H]1CSC[C@@H]1[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602664178 460052104 /nfs/dbraw/zinc/05/21/04/460052104.db2.gz UEOOFKYSCMVIIL-MUWHJKNJSA-N 1 0 337.264 3.260 20 5 EGBDRO CC[C@H]1CCC[C@H]1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602679981 460062144 /nfs/dbraw/zinc/06/21/44/460062144.db2.gz MUNLBLOYEOMDFO-GJZGRUSLSA-N 1 0 332.448 3.375 20 5 EGBDRO O=[N+]([O-])c1sc(C[NH2+]CCC[C@@H]2CCOC2)cc1Br ZINC000602682892 460063191 /nfs/dbraw/zinc/06/31/91/460063191.db2.gz TUUYBTSHPCICPB-SECBINFHSA-N 1 0 349.250 3.325 20 5 EGBDRO CC[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[C@H]1CC1(C)C ZINC000602693641 460068855 /nfs/dbraw/zinc/06/88/55/460068855.db2.gz DLAMSBZIVOHBQD-CVEARBPZSA-N 1 0 332.448 3.373 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](CC(=O)OC(C)C)C(C)C ZINC000594039847 460068933 /nfs/dbraw/zinc/06/89/33/460068933.db2.gz JMDFXZLDTVGXTJ-OAHLLOKOSA-N 1 0 338.404 3.059 20 5 EGBDRO C[C@H]1CC[C@H](C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)O1 ZINC000602691671 460069054 /nfs/dbraw/zinc/06/90/54/460069054.db2.gz ZGLMQCDFNNHCAE-JGVFFNPUSA-N 1 0 335.223 3.076 20 5 EGBDRO CCc1ccc(C)[nH+]c1NC1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602711623 460080370 /nfs/dbraw/zinc/08/03/70/460080370.db2.gz SMLOQPUBKJRNLV-UHFFFAOYSA-N 1 0 341.415 3.337 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000602795843 460132057 /nfs/dbraw/zinc/13/20/57/460132057.db2.gz AVNVJDFNIUPHKE-UHFFFAOYSA-N 1 0 326.759 3.024 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H]1/C=C\c1ccccc1 ZINC000602808626 460138236 /nfs/dbraw/zinc/13/82/36/460138236.db2.gz YILSDFHFJCMJMT-IBSYWUHOSA-N 1 0 326.400 3.278 20 5 EGBDRO CC(C)(C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccccc1[N+](=O)[O-] ZINC000594196748 460143840 /nfs/dbraw/zinc/14/38/40/460143840.db2.gz MECMSRBZQXDRRI-WBVHZDCISA-N 1 0 345.443 3.006 20 5 EGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCN1CC(F)F ZINC000599064658 460147163 /nfs/dbraw/zinc/14/71/63/460147163.db2.gz DIYGTSFJPRMLRH-DZGCQCFKSA-N 1 0 341.402 3.235 20 5 EGBDRO CN(c1cccnc1[N+](=O)[O-])[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000610431106 460149846 /nfs/dbraw/zinc/14/98/46/460149846.db2.gz YSSFPWFVFKKELA-INIZCTEOSA-N 1 0 326.400 3.091 20 5 EGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1Cc2ccccc2NC1=O ZINC000599074825 460152707 /nfs/dbraw/zinc/15/27/07/460152707.db2.gz QKUCNKSZUGTSLP-CXAGYDPISA-N 1 0 339.395 3.069 20 5 EGBDRO CC[C@@H]([NH2+][C@@H]1Cc2ccccc2NC1=O)c1cccc([N+](=O)[O-])c1 ZINC000599075302 460153775 /nfs/dbraw/zinc/15/37/75/460153775.db2.gz UHCPKIOICSLJRK-NVXWUHKLSA-N 1 0 325.368 3.199 20 5 EGBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000589901850 460158166 /nfs/dbraw/zinc/15/81/66/460158166.db2.gz YSLOGSBYRXRQOE-CQSZACIVSA-N 1 0 348.447 3.004 20 5 EGBDRO Cc1ccc([C@H](C)NC(=O)N2CCC[C@H]([NH2+]C(C)C)C2)cc1[N+](=O)[O-] ZINC000610644682 460204392 /nfs/dbraw/zinc/20/43/92/460204392.db2.gz IQBSWGPLZJEMHK-HOCLYGCPSA-N 1 0 348.447 3.136 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1OC[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000611112948 460290114 /nfs/dbraw/zinc/29/01/14/460290114.db2.gz DSHBQPHTWJXNGR-QGZVFWFLSA-N 1 0 344.411 3.083 20 5 EGBDRO CCOCCN(Cc1onc(C)c1[N+](=O)[O-])[C@@H]1CCc2ccccc21 ZINC000599626044 460291419 /nfs/dbraw/zinc/29/14/19/460291419.db2.gz SIILKFBALQWZJE-MRXNPFEDSA-N 1 0 345.399 3.417 20 5 EGBDRO CCOc1cc(CN2CCc3c(O)cccc3C2)ccc1[N+](=O)[O-] ZINC000599648261 460297339 /nfs/dbraw/zinc/29/73/39/460297339.db2.gz WJJJZKHBJDFMQK-UHFFFAOYSA-N 1 0 328.368 3.257 20 5 EGBDRO CC(C)c1ccc(C(C)(C)[NH2+]CCn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000611185900 460304315 /nfs/dbraw/zinc/30/43/15/460304315.db2.gz BTMHZJAVKGVVON-UHFFFAOYSA-N 1 0 343.427 3.405 20 5 EGBDRO O=[N+]([O-])c1cccc(C[N@H+](Cc2ccccc2-n2cncn2)C2CC2)c1 ZINC000611254802 460318595 /nfs/dbraw/zinc/31/85/95/460318595.db2.gz QUPWDWYFFFVYJE-UHFFFAOYSA-N 1 0 349.394 3.340 20 5 EGBDRO CCOc1ccc(NC(=O)C[N@H+](C)[C@@H]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000603582080 460324605 /nfs/dbraw/zinc/32/46/05/460324605.db2.gz HAEHLXYZFFSFPV-UONOGXRCSA-N 1 0 349.431 3.443 20 5 EGBDRO CS[C@@H]1CCCC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611287090 460328910 /nfs/dbraw/zinc/32/89/10/460328910.db2.gz LNZFIVFWVXUOKV-CYBMUJFWSA-N 1 0 338.429 3.084 20 5 EGBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)cc1 ZINC000611350103 460342860 /nfs/dbraw/zinc/34/28/60/460342860.db2.gz BGZRVSUULOUWTO-HOTGVXAUSA-N 1 0 334.416 3.112 20 5 EGBDRO CC[NH+](CC)CCOc1ccc(CNc2cccnc2[N+](=O)[O-])cc1 ZINC000603859229 460349552 /nfs/dbraw/zinc/34/95/52/460349552.db2.gz ZFAXFRZYPFCCIQ-UHFFFAOYSA-N 1 0 344.415 3.323 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1ccc(CO)cc1 ZINC000615727325 460380932 /nfs/dbraw/zinc/38/09/32/460380932.db2.gz JTQIHQGREHMMIN-RVDMUPIBSA-N 1 0 326.396 3.323 20 5 EGBDRO C[N@@H+]1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)[C@H](c2ccccc2)C1 ZINC000611699831 460431748 /nfs/dbraw/zinc/43/17/48/460431748.db2.gz HIKITMRFQFNGMK-SFHVURJKSA-N 1 0 349.394 3.031 20 5 EGBDRO CC(C)C[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000604493097 460434955 /nfs/dbraw/zinc/43/49/55/460434955.db2.gz BSBMKFZQSYTNBL-UHFFFAOYSA-N 1 0 333.432 3.458 20 5 EGBDRO O=[N+]([O-])c1ncccc1Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000604508477 460438719 /nfs/dbraw/zinc/43/87/19/460438719.db2.gz GWXUCQBTYGEMBY-UHFFFAOYSA-N 1 0 344.440 3.325 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C)c1ccsc1 ZINC000619783081 460442517 /nfs/dbraw/zinc/44/25/17/460442517.db2.gz OGSJSZYLGJCHHQ-LLVKDONJSA-N 1 0 349.412 3.344 20 5 EGBDRO CC[NH+](CC)Cc1ccc(C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)o1 ZINC000611781887 460461650 /nfs/dbraw/zinc/46/16/50/460461650.db2.gz SGQTUHRLGZEZSI-UHFFFAOYSA-N 1 0 347.371 3.291 20 5 EGBDRO Cc1ccncc1[C@@H](C)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000611939056 460492282 /nfs/dbraw/zinc/49/22/82/460492282.db2.gz NYUVXGPPYOFPCI-CQSZACIVSA-N 1 0 342.399 3.286 20 5 EGBDRO CC[N@@H+]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@H](C)C1 ZINC000601229133 460757474 /nfs/dbraw/zinc/75/74/74/460757474.db2.gz GRZSCHBRWJHTEX-LLVKDONJSA-N 1 0 340.811 3.196 20 5 EGBDRO CC[N@@H+]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C1 ZINC000601229134 460758005 /nfs/dbraw/zinc/75/80/05/460758005.db2.gz GRZSCHBRWJHTEX-NSHDSACASA-N 1 0 340.811 3.196 20 5 EGBDRO Cc1ncc([C@H](C)[NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)s1 ZINC000601298350 460779805 /nfs/dbraw/zinc/77/98/05/460779805.db2.gz MWFASDHKVNOPOU-MNOVXSKESA-N 1 0 348.428 3.428 20 5 EGBDRO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@H+](CC4CCCC4)CC3)nc2c1 ZINC000613065861 460817587 /nfs/dbraw/zinc/81/75/87/460817587.db2.gz KESFIGDPOUSMJO-UHFFFAOYSA-N 1 0 343.431 3.173 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CNc1cccc(C[NH+](C)C)c1 ZINC000601935291 460951170 /nfs/dbraw/zinc/95/11/70/460951170.db2.gz RKURFXUVGPUURU-UHFFFAOYSA-N 1 0 342.399 3.015 20 5 EGBDRO Cc1ncc([C@H](C)[NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)s1 ZINC000601938164 460951973 /nfs/dbraw/zinc/95/19/73/460951973.db2.gz XPJRMUZWJUTCCV-VHSXEESVSA-N 1 0 334.401 3.038 20 5 EGBDRO CC(C)[N@@H+]1CCC[C@H](CNc2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000611707028 469306412 /nfs/dbraw/zinc/30/64/12/469306412.db2.gz CZFZAXQKSARRPH-CYBMUJFWSA-N 1 0 329.404 3.070 20 5 EGBDRO CC1(C)CCC[C@@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000191300184 528970542 /nfs/dbraw/zinc/97/05/42/528970542.db2.gz LQPRBQCVMHQCAP-ZDUSSCGKSA-N 1 0 325.796 3.355 20 5 EGBDRO CC1(C)CCC[C@H]1[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000191853214 528993880 /nfs/dbraw/zinc/99/38/80/528993880.db2.gz BHEKGRDVDMGAEJ-CYBMUJFWSA-N 1 0 325.796 3.355 20 5 EGBDRO CCCC[N@H+](C)CC1CCN(c2c([N+](=O)[O-])c(C)nn2CC)CC1 ZINC000192514006 535215001 /nfs/dbraw/zinc/21/50/01/535215001.db2.gz WHDMIXWOOHOLCW-UHFFFAOYSA-N 1 0 337.468 3.068 20 5 EGBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000173604426 535595690 /nfs/dbraw/zinc/59/56/90/535595690.db2.gz NQRDHBSJRHNRHL-GFCCVEGCSA-N 1 0 339.823 3.052 20 5 EGBDRO COc1ccc(-c2ccc(C[N@@H+]3CCCO[C@H](C)C3)o2)c([N+](=O)[O-])c1 ZINC000353453122 536896054 /nfs/dbraw/zinc/89/60/54/536896054.db2.gz CZYSZMPZIFMJBK-CYBMUJFWSA-N 1 0 346.383 3.474 20 5 EGBDRO C[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1cccc(C2CC2)c1 ZINC000451116924 547933199 /nfs/dbraw/zinc/93/31/99/547933199.db2.gz SSTUVKJXZNQSHT-GFCCVEGCSA-N 1 0 339.395 3.422 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]Cc2ccccc2OC(F)F)cc1 ZINC000731678380 575199283 /nfs/dbraw/zinc/19/92/83/575199283.db2.gz LGUBYZJGMKSRTR-CQSZACIVSA-N 1 0 338.310 3.019 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]Cc2ccc(OC(F)F)cc2)cc1 ZINC000731678943 575199690 /nfs/dbraw/zinc/19/96/90/575199690.db2.gz SZQYWLNACXVVRN-OAHLLOKOSA-N 1 0 338.310 3.019 20 5 EGBDRO C[C@@H](CNc1nc2ccccn2c1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000732049323 575233865 /nfs/dbraw/zinc/23/38/65/575233865.db2.gz LOJSKTDPZHIINT-AWEZNQCLSA-N 1 0 339.399 3.175 20 5 EGBDRO Cc1cc(NC(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000352881682 576111760 /nfs/dbraw/zinc/11/17/60/576111760.db2.gz DSTCYROAZWVZEC-JSGCOSHPSA-N 1 0 334.420 3.145 20 5 EGBDRO CN(C[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C ZINC000743865910 576817559 /nfs/dbraw/zinc/81/75/59/576817559.db2.gz GSWOLSFSICJBGT-INIZCTEOSA-N 1 0 349.431 3.426 20 5 EGBDRO C[C@H](c1ccccc1)[NH+]1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000744236378 576823784 /nfs/dbraw/zinc/82/37/84/576823784.db2.gz OQOBLIKWZLUZTJ-MRXNPFEDSA-N 1 0 325.412 3.474 20 5 EGBDRO [NH3+][C@H]1C[C@H](Nc2ccc(Br)cc2[N+](=O)[O-])C12CCC2 ZINC000404586631 1297757802 /nfs/dbraw/zinc/75/78/02/1297757802.db2.gz URYUWVOPAQWZEA-RYUDHWBXSA-N 1 0 326.194 3.039 20 5 EGBDRO Cc1cccc(OCC[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000069161188 1292233942 /nfs/dbraw/zinc/23/39/42/1292233942.db2.gz AKYSFNILVMJGHD-UHFFFAOYSA-N 1 0 341.411 3.104 20 5 EGBDRO Cc1ccc(NC(=O)c2cc(F)ccc2[N+](=O)[O-])c(C[NH+](C)C)c1 ZINC000072841203 1292294198 /nfs/dbraw/zinc/29/41/98/1292294198.db2.gz PLVHSQRRRQRMHM-UHFFFAOYSA-N 1 0 331.347 3.356 20 5 EGBDRO O=C(NCCC[NH+]1CCCCC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000075985263 1292417481 /nfs/dbraw/zinc/41/74/81/1292417481.db2.gz MVHANWSVPAQOLC-UHFFFAOYSA-N 1 0 340.811 3.246 20 5 EGBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000832170381 1292967715 /nfs/dbraw/zinc/96/77/15/1292967715.db2.gz LRFJPISEZDZWRD-LBPRGKRZSA-N 1 0 341.839 3.407 20 5 EGBDRO Cc1ncccc1NC(=O)[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000835071867 1293199761 /nfs/dbraw/zinc/19/97/61/1293199761.db2.gz XWCOQLUAUZAUAU-NSHDSACASA-N 1 0 348.790 3.068 20 5 EGBDRO C[NH+](C)CC[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(C)(C)C ZINC000116131353 1293200681 /nfs/dbraw/zinc/20/06/81/1293200681.db2.gz CKRTXDXHILZLPR-CQSZACIVSA-N 1 0 341.839 3.344 20 5 EGBDRO C[C@H](O)C[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Br ZINC000124068097 1293466125 /nfs/dbraw/zinc/46/61/25/1293466125.db2.gz BHOGJBLQZMQKDK-CMPLNLGQSA-N 1 0 343.221 3.093 20 5 EGBDRO C[NH+](C)CCN(C(=O)c1cc(Cl)ccc1[N+](=O)[O-])C1CCCC1 ZINC000126149120 1293527067 /nfs/dbraw/zinc/52/70/67/1293527067.db2.gz LIZCVNRARLRGTR-UHFFFAOYSA-N 1 0 339.823 3.195 20 5 EGBDRO Cc1ccc(N2CC[C@@H]([NH2+][C@H](C)c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000173964606 1294474847 /nfs/dbraw/zinc/47/48/47/1294474847.db2.gz LUJRSRZEBLKMNL-RDTXWAMCSA-N 1 0 339.395 3.359 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)[C@H](CO)SC ZINC000872038459 1296689887 /nfs/dbraw/zinc/68/98/87/1296689887.db2.gz NUZMVSNHMUREPW-RBZYPMLTSA-N 1 0 330.475 3.080 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCC1(C)OCCO1 ZINC000872060911 1296706792 /nfs/dbraw/zinc/70/67/92/1296706792.db2.gz BJJQOHNUFLEZIK-LLVKDONJSA-N 1 0 326.418 3.120 20 5 EGBDRO O=[N+]([O-])c1c(Br)cccc1N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000312617369 1297117513 /nfs/dbraw/zinc/11/75/13/1297117513.db2.gz GKCYRTLFASNODL-AAEUAGOBSA-N 1 0 340.221 3.396 20 5 EGBDRO CCNC(=O)c1ccc(C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)cc1 ZINC000873011612 1297221649 /nfs/dbraw/zinc/22/16/49/1297221649.db2.gz ASBACMVYCKQEEO-UHFFFAOYSA-N 1 0 341.411 3.251 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]Cc1ccc([S@@](C)=O)cc1 ZINC000873072038 1297260210 /nfs/dbraw/zinc/26/02/10/1297260210.db2.gz PMTYTYUAPWYKBY-HSZRJFAPSA-N 1 0 332.425 3.239 20 5 EGBDRO CC[C@H]1C[C@H](C)C[N@@H+]1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000745990262 1298508778 /nfs/dbraw/zinc/50/87/78/1298508778.db2.gz ADPHGEPGJWVGML-JQWIXIFHSA-N 1 0 325.796 3.307 20 5 EGBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000746669372 1298637820 /nfs/dbraw/zinc/63/78/20/1298637820.db2.gz UMVDCBZCAUGMJM-AWEZNQCLSA-N 1 0 337.851 3.412 20 5 EGBDRO COCc1cc([N+](=O)[O-])ccc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC000747210396 1298742724 /nfs/dbraw/zinc/74/27/24/1298742724.db2.gz LLWYVOQRGPVGND-UHFFFAOYSA-N 1 0 335.448 3.299 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CCC(C(=O)NCC(C)C)CC1 ZINC000876560217 1298828340 /nfs/dbraw/zinc/82/83/40/1298828340.db2.gz ILHZKGNFAMETEA-UHFFFAOYSA-N 1 0 347.459 3.196 20 5 EGBDRO Cc1noc(C2(C)CC[NH+](Cc3c(C)ccc([N+](=O)[O-])c3C)CC2)n1 ZINC000877190161 1299201350 /nfs/dbraw/zinc/20/13/50/1299201350.db2.gz XPNRKGHQURXZDT-UHFFFAOYSA-N 1 0 344.415 3.457 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]Cc2ccc(OC(F)F)cc2)c1 ZINC000749640232 1299250930 /nfs/dbraw/zinc/25/09/30/1299250930.db2.gz RJQYUGAMKXAQFA-HNNXBMFYSA-N 1 0 338.310 3.019 20 5 EGBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](CCCOC(F)(F)F)CC2)cc1 ZINC000878148647 1299778706 /nfs/dbraw/zinc/77/87/06/1299778706.db2.gz IDNVVKUIIUGWSM-UHFFFAOYSA-N 1 0 348.321 3.365 20 5 EGBDRO C[C@H](O)C[C@H]1CCCN1Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000752812297 1299799079 /nfs/dbraw/zinc/79/90/79/1299799079.db2.gz MXFCJAJRWJPAAB-WDEREUQCSA-N 1 0 337.401 3.065 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)s1 ZINC000754666088 1300188013 /nfs/dbraw/zinc/18/80/13/1300188013.db2.gz ZKUNRYSWKHARFN-LBPRGKRZSA-N 1 0 345.424 3.205 20 5 EGBDRO C[N@H+](C1CCCC1)C(C)(C)C(=O)OCc1c(F)cccc1[N+](=O)[O-] ZINC000754870235 1300235235 /nfs/dbraw/zinc/23/52/35/1300235235.db2.gz ACWAUWWOKYVEFE-UHFFFAOYSA-N 1 0 338.379 3.430 20 5 EGBDRO Cc1nnc([C@H](C)[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)s1 ZINC000760881062 1301356215 /nfs/dbraw/zinc/35/62/15/1301356215.db2.gz MYMPGOWZJUGKOB-NSHDSACASA-N 1 0 347.444 3.074 20 5 EGBDRO Cc1ccc([C@@H](CNc2ccnc(F)c2[N+](=O)[O-])[NH+]2CCCC2)o1 ZINC000881897544 1301751922 /nfs/dbraw/zinc/75/19/22/1301751922.db2.gz DDWNTWUXUOXSDQ-CYBMUJFWSA-N 1 0 334.351 3.279 20 5 EGBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)[N@@H+]1CCCC[C@@H]1C ZINC000764191168 1302026776 /nfs/dbraw/zinc/02/67/76/1302026776.db2.gz DZOGJTYTSARXFH-RYUDHWBXSA-N 1 0 339.823 3.241 20 5 EGBDRO COC1CCC([N@H+](C)Cn2nc(C)c3cc([N+](=O)[O-])ccc32)CC1 ZINC000764990198 1302181763 /nfs/dbraw/zinc/18/17/63/1302181763.db2.gz PWMHPALXFNQMQF-UHFFFAOYSA-N 1 0 332.404 3.100 20 5 EGBDRO Cc1nn(C[N@@H+]2CCCC3(CCOCC3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000765031833 1302186923 /nfs/dbraw/zinc/18/69/23/1302186923.db2.gz AYLXNRJWVZQFSU-UHFFFAOYSA-N 1 0 344.415 3.103 20 5 EGBDRO Cc1c([C@H](C)[NH2+]C[C@@H](O)COc2cccc(F)c2)cccc1[N+](=O)[O-] ZINC000765286072 1302238330 /nfs/dbraw/zinc/23/83/30/1302238330.db2.gz DVJPPXATBIWKCC-DZGCQCFKSA-N 1 0 348.374 3.133 20 5 EGBDRO CC[C@@H]1Cc2ccccc2C[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000767881448 1302778547 /nfs/dbraw/zinc/77/85/47/1302778547.db2.gz GURJRETZUCMLSP-IEBWSBKVSA-N 1 0 326.396 3.465 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CCOC4(CCC4)C3)CC2)cc1 ZINC000773082403 1303621752 /nfs/dbraw/zinc/62/17/52/1303621752.db2.gz VXDSHKYBIFXGFT-MRXNPFEDSA-N 1 0 345.443 3.255 20 5 EGBDRO CCOCOc1ccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000775607290 1303993532 /nfs/dbraw/zinc/99/35/32/1303993532.db2.gz UXBXZYGCEBRERZ-UHFFFAOYSA-N 1 0 330.384 3.300 20 5 EGBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N(C)CC[NH+]1CCCC1 ZINC000888287134 1304103136 /nfs/dbraw/zinc/10/31/36/1304103136.db2.gz VBOJNYFFCAWECL-UHFFFAOYSA-N 1 0 340.811 3.116 20 5 EGBDRO CCCCO[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000776155250 1304103422 /nfs/dbraw/zinc/10/34/22/1304103422.db2.gz FCDKIUVOOMMKIX-GVDBMIGSSA-N 1 0 336.432 3.202 20 5 EGBDRO CCO[C@@H]1C[C@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C12CCCCC2 ZINC000776157916 1304103515 /nfs/dbraw/zinc/10/35/15/1304103515.db2.gz ULNXCSLBOPBOOL-OKZBNKHCSA-N 1 0 348.443 3.346 20 5 EGBDRO C[N@@H+](Cc1ccc(Cl)s1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776272458 1304125531 /nfs/dbraw/zinc/12/55/31/1304125531.db2.gz UARDGVBIDJZJFX-ZDUSSCGKSA-N 1 0 326.805 3.475 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CC[C@H](Cc3ccc(F)cc3)C2)cc1 ZINC000776583538 1304174890 /nfs/dbraw/zinc/17/48/90/1304174890.db2.gz FVUGLAYXPFOGAN-BEFAXECRSA-N 1 0 344.386 3.332 20 5 EGBDRO C[C@@H]1c2ccc(F)cc2CC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776583376 1304175507 /nfs/dbraw/zinc/17/55/07/1304175507.db2.gz FAKWYINTAYRMQA-XIKOKIGWSA-N 1 0 330.359 3.387 20 5 EGBDRO CC1(C)C[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)Cc2ccccc21 ZINC000776593492 1304177574 /nfs/dbraw/zinc/17/75/74/1304177574.db2.gz KGNYTDCOANWVJK-GOSISDBHSA-N 1 0 326.396 3.422 20 5 EGBDRO CO[C@H](C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000777013402 1304232513 /nfs/dbraw/zinc/23/25/13/1304232513.db2.gz VIRKZFIFXRRCSA-OSAQELSMSA-N 1 0 346.349 3.473 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000777438054 1304296487 /nfs/dbraw/zinc/29/64/87/1304296487.db2.gz KQZHUWOFFVGWMA-MEDHRJKHSA-N 1 0 342.370 3.341 20 5 EGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000777729153 1304341086 /nfs/dbraw/zinc/34/10/86/1304341086.db2.gz FWYFPZAHGHNJNG-SCLBCKFNSA-N 1 0 330.359 3.388 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)ON=C(N)C[N@@H+]1CCCC[C@H]1C ZINC000778593466 1304471790 /nfs/dbraw/zinc/47/17/90/1304471790.db2.gz ZWAWBQJABKHFDI-KGLIPLIRSA-N 1 0 334.420 3.337 20 5 EGBDRO CCC[N@H+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2OC(F)F)C1 ZINC000780911273 1304750827 /nfs/dbraw/zinc/75/08/27/1304750827.db2.gz KTDTWQIAKRDVRM-LBPRGKRZSA-N 1 0 343.374 3.364 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H]2CCCOc3cc(F)ccc32)cc1 ZINC000781893983 1304887550 /nfs/dbraw/zinc/88/75/50/1304887550.db2.gz BAZHCEBKKYJOSW-DLBZAZTESA-N 1 0 346.358 3.271 20 5 EGBDRO C[N@@H+]1CCCC12CCN(c1ccc([N+](=O)[O-])cc1OC(F)F)CC2 ZINC000782356776 1304960568 /nfs/dbraw/zinc/96/05/68/1304960568.db2.gz IWALSSCVFIBWFU-UHFFFAOYSA-N 1 0 341.358 3.261 20 5 EGBDRO C[NH+](C)CCc1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000782937222 1305025583 /nfs/dbraw/zinc/02/55/83/1305025583.db2.gz CXYPMAWVCVBUQW-UHFFFAOYSA-N 1 0 331.347 3.090 20 5 EGBDRO CC(C)OCCCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000783536110 1305103968 /nfs/dbraw/zinc/10/39/68/1305103968.db2.gz MEQZODBHQYXPMM-UHFFFAOYSA-N 1 0 335.448 3.358 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](O)CCc2ccccc2)cc1Cl ZINC000783666664 1305124998 /nfs/dbraw/zinc/12/49/98/1305124998.db2.gz JEZPDETVGFXOIE-HNNXBMFYSA-N 1 0 334.803 3.332 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2C[C@@H]3C[C@]3(CO)C2)s1 ZINC000783733429 1305135904 /nfs/dbraw/zinc/13/59/04/1305135904.db2.gz HQAARZCULAILOI-YVEFUNNKSA-N 1 0 330.409 3.138 20 5 EGBDRO CC(=O)NC1CCC([N@H+](C)Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000784546966 1305257108 /nfs/dbraw/zinc/25/71/08/1305257108.db2.gz ZJIJSBURVQRIFW-UHFFFAOYSA-N 1 0 339.823 3.127 20 5 EGBDRO CCc1ccc([C@H](CNc2ccc(N)cc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000786575835 1305602155 /nfs/dbraw/zinc/60/21/55/1305602155.db2.gz XFGYZLKEEDBQDC-SFHVURJKSA-N 1 0 328.416 3.454 20 5 EGBDRO COc1c(O)ccc(C[NH2+][C@@H]2CCC[C@H](SC)C2)c1[N+](=O)[O-] ZINC000892951077 1305624064 /nfs/dbraw/zinc/62/40/64/1305624064.db2.gz RJFOAHFZVRNUIS-NEPJUHHUSA-N 1 0 326.418 3.073 20 5 EGBDRO O=C(OCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000786890948 1305649944 /nfs/dbraw/zinc/64/99/44/1305649944.db2.gz MURUJBXJYQFYTF-KRWDZBQOSA-N 1 0 332.400 3.088 20 5 EGBDRO COc1c(O)ccc(C[NH2+][C@@H](C)Cc2ccc(C)s2)c1[N+](=O)[O-] ZINC000893005409 1305651156 /nfs/dbraw/zinc/65/11/56/1305651156.db2.gz UFDCOXHLLHYTLS-JTQLQIEISA-N 1 0 336.413 3.400 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCCC2CC[NH+](C(C)C)CC2)c1C ZINC000893148292 1305732043 /nfs/dbraw/zinc/73/20/43/1305732043.db2.gz UMRGCOVEXRUECE-UHFFFAOYSA-N 1 0 347.459 3.452 20 5 EGBDRO CC1(C)[C@@H](C(F)(F)F)CC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000787322720 1305733041 /nfs/dbraw/zinc/73/30/41/1305733041.db2.gz RYMUNXOHMZOADX-OLZOCXBDSA-N 1 0 332.322 3.291 20 5 EGBDRO COc1c(O)ccc(C[N@H+](C)C[C@H](C)c2nccs2)c1[N+](=O)[O-] ZINC000893535811 1305956577 /nfs/dbraw/zinc/95/65/77/1305956577.db2.gz PRNVYBAKUCMCBV-JTQLQIEISA-N 1 0 337.401 3.001 20 5 EGBDRO C[C@@H](NC[C@]1([NH+](C)C)CCC[C@@H](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788561129 1305970048 /nfs/dbraw/zinc/97/00/48/1305970048.db2.gz FNVWOPDGMKYCPT-LBTNJELSSA-N 1 0 334.464 3.338 20 5 EGBDRO C[C@H]([NH2+]C[C@H](c1ccc(F)cc1)N(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788559041 1305970805 /nfs/dbraw/zinc/97/08/05/1305970805.db2.gz XYUMKYRQBLSVGI-KPZWWZAWSA-N 1 0 346.406 3.270 20 5 EGBDRO COc1c(O)ccc(C[NH2+][C@H](C)CCCc2cccnc2)c1[N+](=O)[O-] ZINC000894846487 1309097761 /nfs/dbraw/zinc/09/77/61/1309097761.db2.gz XYFIPNHCDQERTB-CYBMUJFWSA-N 1 0 345.399 3.205 20 5 EGBDRO CCOC1(C)CC[NH+](Cn2nc(C)c3cc([N+](=O)[O-])ccc32)CC1 ZINC000793546135 1309401388 /nfs/dbraw/zinc/40/13/88/1309401388.db2.gz LACGAKUKBINFSD-UHFFFAOYSA-N 1 0 332.404 3.101 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)c1C ZINC000895855221 1309562721 /nfs/dbraw/zinc/56/27/21/1309562721.db2.gz PSBMEKNIDWMQPE-TZMCWYRMSA-N 1 0 333.432 3.062 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H](C)NC(=O)OC(C)(C)C ZINC000794824647 1309601597 /nfs/dbraw/zinc/60/15/97/1309601597.db2.gz LDFBVSDCLHDLII-CHWSQXEVSA-N 1 0 337.420 3.467 20 5 EGBDRO CCC(=O)c1ccc(N2CC[C@H](C[N@H+](C)CC3CC3)C2)c([N+](=O)[O-])c1 ZINC000795106850 1309670546 /nfs/dbraw/zinc/67/05/46/1309670546.db2.gz WAMNYCLSKPNLMM-OAHLLOKOSA-N 1 0 345.443 3.356 20 5 EGBDRO CC(C)(C(=O)O[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000797233930 1310160315 /nfs/dbraw/zinc/16/03/15/1310160315.db2.gz OILWTZKZVKAEQF-KBPBESRZSA-N 1 0 332.400 3.042 20 5 EGBDRO C[NH+]1CCC2(CCC[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)CC1 ZINC000799178260 1310500803 /nfs/dbraw/zinc/50/08/03/1310500803.db2.gz JHRDAONZXMSHJG-UHFFFAOYSA-N 1 0 344.415 3.044 20 5 EGBDRO O=C(OCCC[NH+]1CCCCC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000800124881 1310676392 /nfs/dbraw/zinc/67/63/92/1310676392.db2.gz TYKJXYZUQYIJLC-UHFFFAOYSA-N 1 0 326.780 3.281 20 5 EGBDRO O=C(OCCC[NH+]1CCCCC1)c1cc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000800142135 1310680961 /nfs/dbraw/zinc/68/09/61/1310680961.db2.gz OYEHOJLGXTUAGE-UHFFFAOYSA-N 1 0 331.372 3.109 20 5 EGBDRO CC[NH+](CC)CCCOC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000800202332 1310700548 /nfs/dbraw/zinc/70/05/48/1310700548.db2.gz STKSRXGDMPNJTE-UHFFFAOYSA-N 1 0 340.395 3.287 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+]CCOC2CCSCC2)cc1Cl ZINC000898438543 1310734919 /nfs/dbraw/zinc/73/49/19/1310734919.db2.gz BATCNQDJLJJWCR-UHFFFAOYSA-N 1 0 330.837 3.250 20 5 EGBDRO Cc1cc(Cl)c(C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000839796410 1320977805 /nfs/dbraw/zinc/97/78/05/1320977805.db2.gz BCLYBXMQSZYDFA-LBPRGKRZSA-N 1 0 339.823 3.018 20 5 EGBDRO COC[C@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000929638663 1328654061 /nfs/dbraw/zinc/65/40/61/1328654061.db2.gz LALHCGLSFAVVTR-NSHDSACASA-N 1 0 343.221 3.216 20 5 EGBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2ccc(N)cc2[N+](=O)[O-])C1 ZINC000804372426 1317224677 /nfs/dbraw/zinc/22/46/77/1317224677.db2.gz LWZCRXUHNHYINE-CZUORRHYSA-N 1 0 326.400 3.424 20 5 EGBDRO C[C@H]1C[C@H](Nc2ccc(N)cc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000804545507 1317258316 /nfs/dbraw/zinc/25/83/16/1317258316.db2.gz YYKDOSVYQJNGPW-BBRMVZONSA-N 1 0 326.400 3.252 20 5 EGBDRO C[C@H](Nc1ccc([N+](=O)[O-])c2nonc21)[C@@H](c1ccccc1)[NH+](C)C ZINC000804680030 1317273310 /nfs/dbraw/zinc/27/33/10/1317273310.db2.gz SYGLDSYCWXYWKJ-GTNSWQLSSA-N 1 0 341.371 3.234 20 5 EGBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1c1ccc([N+](=O)[O-])cc1OC(F)F ZINC000804812617 1317287096 /nfs/dbraw/zinc/28/70/96/1317287096.db2.gz JYAMKWOLPPULKH-WCQYABFASA-N 1 0 341.358 3.259 20 5 EGBDRO Cc1cscc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001020058004 1317523876 /nfs/dbraw/zinc/52/38/76/1317523876.db2.gz VHLYDXJOHFDFRG-HDJSIYSDSA-N 1 0 345.424 3.015 20 5 EGBDRO CCC(=O)N1CCC(C[N@@H+](CC)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000957656820 1317528228 /nfs/dbraw/zinc/52/82/28/1317528228.db2.gz RPGNJNZFZSZDRW-UHFFFAOYSA-N 1 0 333.432 3.065 20 5 EGBDRO CC(C)(C)c1nc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)cs1 ZINC000809735221 1317882948 /nfs/dbraw/zinc/88/29/48/1317882948.db2.gz VZKFHORTPXMYAB-UHFFFAOYSA-N 1 0 334.445 3.314 20 5 EGBDRO CC[NH+]1CCC(CNC(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000809913318 1317917326 /nfs/dbraw/zinc/91/73/26/1317917326.db2.gz DKDZINFEZAKBOH-UHFFFAOYSA-N 1 0 340.811 3.102 20 5 EGBDRO CN(CC[N@H+](C)C1CC1)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809978848 1317930066 /nfs/dbraw/zinc/93/00/66/1317930066.db2.gz HCSBZNXCGDDUAW-UHFFFAOYSA-N 1 0 332.231 3.428 20 5 EGBDRO C[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Cl)cn1 ZINC000905851751 1318007558 /nfs/dbraw/zinc/00/75/58/1318007558.db2.gz COOBPNWMTUGKML-GHMZBOCLSA-N 1 0 348.790 3.321 20 5 EGBDRO [NH3+]CCN(Cc1ccnc(Cl)c1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000811506888 1318187234 /nfs/dbraw/zinc/18/72/34/1318187234.db2.gz JDRMTOWCOOXIEY-UHFFFAOYSA-N 1 0 341.198 3.262 20 5 EGBDRO Cn1ncc2ccc(C[NH2+]Cc3ccc([N+](=O)[O-])c(Cl)c3)cc21 ZINC000812771163 1318450981 /nfs/dbraw/zinc/45/09/81/1318450981.db2.gz IGWNFHGGGDJABO-UHFFFAOYSA-N 1 0 330.775 3.425 20 5 EGBDRO C[C@H]1C[C@@H](NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC[N@@H+]1C ZINC000813462296 1318570072 /nfs/dbraw/zinc/57/00/72/1318570072.db2.gz WUMLNYSDMGQOMH-WPRPVWTQSA-N 1 0 346.214 3.114 20 5 EGBDRO Cc1c(C(=O)N2CCCC[C@H]2[C@@H](C)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000912816372 1318941785 /nfs/dbraw/zinc/94/17/85/1318941785.db2.gz YIZSNSMSXPYIIG-BBRMVZONSA-N 1 0 333.432 3.096 20 5 EGBDRO C[C@H]([NH2+]CCCOc1ccc(F)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815571712 1319017816 /nfs/dbraw/zinc/01/78/16/1319017816.db2.gz KQYJNQXSSLTTJY-LBPRGKRZSA-N 1 0 333.363 3.436 20 5 EGBDRO C[C@@H]([NH2+][C@H]1CCN(c2ccccc2F)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815629145 1319031431 /nfs/dbraw/zinc/03/14/31/1319031431.db2.gz VLWAUMZQWPQHSY-OCCSQVGLSA-N 1 0 344.390 3.246 20 5 EGBDRO CC(C)(CO)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)c1cccnc1 ZINC000816637618 1319199074 /nfs/dbraw/zinc/19/90/74/1319199074.db2.gz JKVLNDYMVMUHCD-INIZCTEOSA-N 1 0 349.818 3.493 20 5 EGBDRO Cc1cc(Cl)c(C(=O)NC2CCC([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000817485965 1319375607 /nfs/dbraw/zinc/37/56/07/1319375607.db2.gz ZRDIBBOHTSMPBN-UHFFFAOYSA-N 1 0 339.823 3.159 20 5 EGBDRO C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000817907838 1319458481 /nfs/dbraw/zinc/45/84/81/1319458481.db2.gz XISNLYBOBKWXSK-YVEFUNNKSA-N 1 0 333.819 3.296 20 5 EGBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)CC[C@@H]([NH3+])c1ccccc1)CC2 ZINC000818609093 1319570671 /nfs/dbraw/zinc/57/06/71/1319570671.db2.gz QBDFMQFSBGFQAR-MRXNPFEDSA-N 1 0 339.395 3.273 20 5 EGBDRO CC(C)Oc1ccccc1C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818968067 1319594729 /nfs/dbraw/zinc/59/47/29/1319594729.db2.gz JYGAEBJAQLTWQM-KRWDZBQOSA-N 1 0 330.384 3.205 20 5 EGBDRO CC(C)(C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1F ZINC000818993883 1319608421 /nfs/dbraw/zinc/60/84/21/1319608421.db2.gz NMAJCMQCUNCITC-KRWDZBQOSA-N 1 0 332.375 3.335 20 5 EGBDRO CCC(CC)[C@@H](CNC[C@@H](O)c1cccc([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000819059141 1319623252 /nfs/dbraw/zinc/62/32/52/1319623252.db2.gz BLCXYYRQYYRPJX-RTBURBONSA-N 1 0 349.475 3.118 20 5 EGBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]C[C@@H](O)c2cccc(F)c2)cc1 ZINC000819091696 1319632452 /nfs/dbraw/zinc/63/24/52/1319632452.db2.gz JJBFYNHSBDHRPX-GOSISDBHSA-N 1 0 332.375 3.380 20 5 EGBDRO Cc1cccc2c(CC[NH2+]C[C@H](O)c3ccc([N+](=O)[O-])cc3)c[nH]c21 ZINC000819101039 1319634517 /nfs/dbraw/zinc/63/45/17/1319634517.db2.gz YUFKHIMBYZYVFV-SFHVURJKSA-N 1 0 339.395 3.250 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@@H]2SCCc3ccccc32)cc1 ZINC000819132651 1319643779 /nfs/dbraw/zinc/64/37/79/1319643779.db2.gz GTGAMWSBFJGPPB-MSOLQXFVSA-N 1 0 344.436 3.248 20 5 EGBDRO COc1cccc(C(C)(C)C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000819184907 1319660041 /nfs/dbraw/zinc/66/00/41/1319660041.db2.gz JYTLWNCLOAFTQV-SFHVURJKSA-N 1 0 344.411 3.204 20 5 EGBDRO CCC(CC)[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000819213473 1319671194 /nfs/dbraw/zinc/67/11/94/1319671194.db2.gz IZGJXNQWZJOOJT-JQHSSLGASA-N 1 0 336.432 3.202 20 5 EGBDRO COc1cccc([C@H]2C[C@H]([NH2+]C[C@H](O)c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000819351927 1319707012 /nfs/dbraw/zinc/70/70/12/1319707012.db2.gz IAPMIQXRCJZHKQ-BXWFABGCSA-N 1 0 342.395 3.173 20 5 EGBDRO CCCC[N@H+](CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)[C@@H](C)CC ZINC000917437836 1319810320 /nfs/dbraw/zinc/81/03/20/1319810320.db2.gz MMSXNIPMZHPPNY-LBPRGKRZSA-N 1 0 333.388 3.049 20 5 EGBDRO CCCC[NH+](CCCC)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000917615328 1319851373 /nfs/dbraw/zinc/85/13/73/1319851373.db2.gz KFBDYJIQKRHOPC-UHFFFAOYSA-N 1 0 333.230 3.414 20 5 EGBDRO C[C@@H](CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[N@@H+]1CCCC[C@@H]1C ZINC000918610815 1319979429 /nfs/dbraw/zinc/97/94/29/1319979429.db2.gz MNHPDSRCEKIPKE-RYUDHWBXSA-N 1 0 339.823 3.241 20 5 EGBDRO CC(C)[N@@H+]1CCCC[C@@H]1COC(=O)c1c(F)ccc([N+](=O)[O-])c1F ZINC000837565587 1320644169 /nfs/dbraw/zinc/64/41/69/1320644169.db2.gz DQERZNJWLDKVFR-LLVKDONJSA-N 1 0 342.342 3.293 20 5 EGBDRO CC1(c2ccccc2)CC([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000838985672 1320847072 /nfs/dbraw/zinc/84/70/72/1320847072.db2.gz AWZDYKPGNIHCFR-AVAKVYKDSA-N 1 0 326.396 3.338 20 5 EGBDRO C[C@@H](Cc1cccc(F)c1)[N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000839196700 1320892685 /nfs/dbraw/zinc/89/26/85/1320892685.db2.gz XISJNALNCIGKKZ-SCLBCKFNSA-N 1 0 332.375 3.330 20 5 EGBDRO C[C@@H]([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000839195711 1320893184 /nfs/dbraw/zinc/89/31/84/1320893184.db2.gz FSEIDISYMYZIMB-KLTVKPSUSA-N 1 0 337.807 3.353 20 5 EGBDRO O=C1N(C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)CCN1c1ccccc1[N+](=O)[O-] ZINC000842619329 1321407926 /nfs/dbraw/zinc/40/79/26/1321407926.db2.gz XQWPEPGUGNWQJJ-GJZGRUSLSA-N 1 0 344.415 3.059 20 5 EGBDRO CC(C)[N@@H+]1CCC[C@H](COC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000842830876 1321438337 /nfs/dbraw/zinc/43/83/37/1321438337.db2.gz YVUCRTUKGGABDF-JCGIZDLHSA-N 1 0 346.427 3.362 20 5 EGBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)c1nc(CC2CC[NH2+]CC2)no1 ZINC000843134392 1321475542 /nfs/dbraw/zinc/47/55/42/1321475542.db2.gz RIZFJLMEDHCNLP-NSHDSACASA-N 1 0 348.428 3.373 20 5 EGBDRO Cc1ccc(-c2noc(C[C@H](C)[C@@H]3CCC[NH2+]C3)n2)cc1[N+](=O)[O-] ZINC000843179185 1321482671 /nfs/dbraw/zinc/48/26/71/1321482671.db2.gz ZPGFAFYRFOFEEL-GXTWGEPZSA-N 1 0 330.388 3.131 20 5 EGBDRO Cc1ccc(-c2noc(C[C@@H](C)[C@H]3CCC[NH2+]C3)n2)cc1[N+](=O)[O-] ZINC000843179187 1321482689 /nfs/dbraw/zinc/48/26/89/1321482689.db2.gz ZPGFAFYRFOFEEL-OCCSQVGLSA-N 1 0 330.388 3.131 20 5 EGBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000843773979 1321546296 /nfs/dbraw/zinc/54/62/96/1321546296.db2.gz YVCLDNJTLASDJH-UHFFFAOYSA-N 1 0 337.395 3.035 20 5 EGBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000843815227 1321550270 /nfs/dbraw/zinc/55/02/70/1321550270.db2.gz QVQBMKYMTURWLL-UHFFFAOYSA-N 1 0 349.406 3.179 20 5 EGBDRO Cc1nn(CN2CCC[C@@H](OC(C)C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000844719504 1321639483 /nfs/dbraw/zinc/63/94/83/1321639483.db2.gz ZQTBESHTWHYWTA-OAHLLOKOSA-N 1 0 332.404 3.100 20 5 EGBDRO C[C@](O)(C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc(F)cc1 ZINC000848537117 1321972050 /nfs/dbraw/zinc/97/20/50/1321972050.db2.gz ZYIGHBXALHHIDY-WMZOPIPTSA-N 1 0 330.359 3.219 20 5 EGBDRO CC(C)CCC[C@@H](C)NC(=[NH2+])NCCNc1ccccc1[N+](=O)[O-] ZINC000849054111 1322059608 /nfs/dbraw/zinc/05/96/08/1322059608.db2.gz GVBGMULBCMBEEZ-CQSZACIVSA-N 1 0 335.452 3.335 20 5 EGBDRO Cc1ccccc1C[NH+]1CCN(c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000919962522 1322122072 /nfs/dbraw/zinc/12/20/72/1322122072.db2.gz HREUBVZJAFUKJY-UHFFFAOYSA-N 1 0 329.375 3.365 20 5 EGBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2Cl)C[C@@H]1C ZINC000859528389 1329008998 /nfs/dbraw/zinc/00/89/98/1329008998.db2.gz OFDHUUKNMWFANJ-RYUDHWBXSA-N 1 0 339.823 3.193 20 5 EGBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2Cl)C[C@@H]1C ZINC000859528388 1329009029 /nfs/dbraw/zinc/00/90/29/1329009029.db2.gz OFDHUUKNMWFANJ-NWDGAFQWSA-N 1 0 339.823 3.193 20 5 EGBDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000920744976 1322215568 /nfs/dbraw/zinc/21/55/68/1322215568.db2.gz QRXIQKJWVILKGT-KUCQQTCKSA-N 1 0 345.443 3.235 20 5 EGBDRO COC(=O)N(C)CC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000850389977 1322236841 /nfs/dbraw/zinc/23/68/41/1322236841.db2.gz MPOKEQHFHWBOQY-UHFFFAOYSA-N 1 0 349.412 3.111 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@](C)(O)c1cccs1 ZINC000850438777 1322249454 /nfs/dbraw/zinc/24/94/54/1322249454.db2.gz ZHWRTWKHIGRYBD-ZBEGNZNMSA-N 1 0 336.413 3.223 20 5 EGBDRO C[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1cscn1 ZINC000850511478 1322258448 /nfs/dbraw/zinc/25/84/48/1322258448.db2.gz GDEYXNJPKKPPDT-LBPRGKRZSA-N 1 0 332.429 3.371 20 5 EGBDRO C[C@H]([NH2+]C[C@H](O)c1cc(F)c(F)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000850581496 1322273041 /nfs/dbraw/zinc/27/30/41/1322273041.db2.gz FSGXVLSEWGJIMN-VFZGTOFNSA-N 1 0 340.301 3.396 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N(C)CCCC[NH+]1CCCCC1 ZINC000922325152 1322501819 /nfs/dbraw/zinc/50/18/19/1322501819.db2.gz YIBZCBSQFALIBT-UHFFFAOYSA-N 1 0 333.432 3.241 20 5 EGBDRO CC(C)(C)[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000931123479 1329055302 /nfs/dbraw/zinc/05/53/02/1329055302.db2.gz PEQCAHZXWUMLFK-DLBZAZTESA-N 1 0 345.443 3.031 20 5 EGBDRO C[C@@H](NC(=O)NCCC[NH2+]C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000925227087 1325088110 /nfs/dbraw/zinc/08/81/10/1325088110.db2.gz QOUJGODUCZQENS-CQSZACIVSA-N 1 0 348.447 3.267 20 5 EGBDRO C[C@@H](NC(=O)NC(C)(C)CCC[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000925243082 1325094514 /nfs/dbraw/zinc/09/45/14/1325094514.db2.gz CQJVGMCJVWOXLC-CYBMUJFWSA-N 1 0 336.436 3.075 20 5 EGBDRO COc1cc(NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000853746915 1325158049 /nfs/dbraw/zinc/15/80/49/1325158049.db2.gz LYFFWHBORPYPIY-LBPRGKRZSA-N 1 0 337.420 3.144 20 5 EGBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000855813102 1325419416 /nfs/dbraw/zinc/41/94/16/1325419416.db2.gz ZBZPEXOMPFVKKN-JXMNSVBMSA-N 1 0 343.427 3.131 20 5 EGBDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000855898674 1325427837 /nfs/dbraw/zinc/42/78/37/1325427837.db2.gz SHUHUDAJIBQELB-GFCCVEGCSA-N 1 0 339.823 3.098 20 5 EGBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+][C@@H]2CCCc3cccnc32)n1 ZINC000927060379 1327835404 /nfs/dbraw/zinc/83/54/04/1327835404.db2.gz ATBOHLFPOKYOEB-XHSDSOJGSA-N 1 0 341.415 3.337 20 5 EGBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2cc(C3CC3)nn2C)cc1[N+](=O)[O-] ZINC000927099612 1327860992 /nfs/dbraw/zinc/86/09/92/1327860992.db2.gz QOCXJVPPBPRCHK-GFCCVEGCSA-N 1 0 344.415 3.455 20 5 EGBDRO C[C@H]1CCC[N@H+](CCCCNc2cc(F)c([N+](=O)[O-])cc2CO)C1 ZINC000865445391 1329698204 /nfs/dbraw/zinc/69/82/04/1329698204.db2.gz MEVUIDFCDZFLPN-ZDUSSCGKSA-N 1 0 339.411 3.150 20 5 EGBDRO CS[C@@H]1CN(c2ccc([N+](=O)[O-])cc2C(F)F)C[C@H]1[NH+](C)C ZINC000865645223 1329724604 /nfs/dbraw/zinc/72/46/04/1329724604.db2.gz VJFJHPSHBWAFTG-CHWSQXEVSA-N 1 0 331.388 3.014 20 5 EGBDRO CC(C)(C)OC(=O)NCC[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000932703195 1329835972 /nfs/dbraw/zinc/83/59/72/1329835972.db2.gz LNZYTVAKLFMXAH-OAHLLOKOSA-N 1 0 349.431 3.332 20 5 EGBDRO Cc1noc(C[C@H]2CCC[N@@H+]([C@H](C)c3ccccc3[N+](=O)[O-])C2)n1 ZINC000933575929 1329902759 /nfs/dbraw/zinc/90/27/59/1329902759.db2.gz ODFZEMHAFGZGGC-TZMCWYRMSA-N 1 0 330.388 3.302 20 5 EGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1cn2ccsc2n1 ZINC000866241367 1330083994 /nfs/dbraw/zinc/08/39/94/1330083994.db2.gz CJDSXAZKVSTAKP-JTQLQIEISA-N 1 0 334.376 3.164 20 5 EGBDRO Cc1ccccc1[C@H](CO)[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866278377 1330089507 /nfs/dbraw/zinc/08/95/07/1330089507.db2.gz YKCZPJITSXHXLQ-GUYCJALGSA-N 1 0 332.375 3.297 20 5 EGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@]1(O)CCc2ccccc21 ZINC000866310676 1330094615 /nfs/dbraw/zinc/09/46/15/1330094615.db2.gz OGDGKIACCJMLAX-DJJJIMSYSA-N 1 0 344.386 3.089 20 5 EGBDRO CC(C)CC(=O)N1CCC(C[N@H+](C)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001029927745 1341123196 /nfs/dbraw/zinc/12/31/96/1341123196.db2.gz KCXNXPFCZWUXMT-UHFFFAOYSA-N 1 0 347.459 3.311 20 5 EGBDRO CC(C)CC(=O)N1CCC(C[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001029927799 1341123228 /nfs/dbraw/zinc/12/32/28/1341123228.db2.gz MKZXZIVDEJEZEE-UHFFFAOYSA-N 1 0 347.459 3.311 20 5 EGBDRO CC[C@@H]1CN(c2c(C)cncc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC001323175835 1387306672 /nfs/dbraw/zinc/30/66/72/1387306672.db2.gz QOGNTSBSUOXUDL-QGZVFWFLSA-N 1 0 340.427 3.399 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)cc(-c2nc([C@H]3C[NH+]4CCC3CC4)no2)c1 ZINC001323913605 1387495020 /nfs/dbraw/zinc/49/50/20/1387495020.db2.gz BGGBQSSHNDFNNQ-ZDUSSCGKSA-N 1 0 334.763 3.107 20 5 EGBDRO Nc1cc2oc3c/c(=[NH+]/C4=CCOC4)ccc-3nc2c2ccccc12 ZINC001203397847 1370111752 /nfs/dbraw/zinc/11/17/52/1370111752.db2.gz HEHVLNIMGWJBOJ-WSDLNYQXSA-N 1 0 329.359 3.483 20 5 EGBDRO CCCC(=O)NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CCCCC1 ZINC001115382129 1370420308 /nfs/dbraw/zinc/42/03/08/1370420308.db2.gz VSMAFJJAWZZNRM-UHFFFAOYSA-N 1 0 333.432 3.304 20 5 EGBDRO C[NH+]1CCC(Oc2ccc(Nc3cccc([N+](=O)[O-])c3)nc2)CC1 ZINC001204449973 1370480014 /nfs/dbraw/zinc/48/00/14/1370480014.db2.gz GQCKVIUNUGDUGP-UHFFFAOYSA-N 1 0 328.372 3.206 20 5 EGBDRO CC/C(C)=C/C(=O)N1CCC(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001205197030 1370676535 /nfs/dbraw/zinc/67/65/35/1370676535.db2.gz ZPEFTTABVOHXIA-NTCAYCPXSA-N 1 0 345.443 3.279 20 5 EGBDRO [NH3+][C@@H]1CN(Cc2ccc3ccc4cccc5ccc2c3c45)CC[C@H]1O ZINC001206086538 1370957901 /nfs/dbraw/zinc/95/79/01/1370957901.db2.gz HDMIIWACFBKLKO-WOJBJXKFSA-N 1 0 330.431 3.478 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC001117954618 1371113016 /nfs/dbraw/zinc/11/30/16/1371113016.db2.gz CGRCZMOQZKQGGJ-UHFFFAOYSA-N 1 0 346.431 3.209 20 5 EGBDRO CC1(C)[C@H]([NH2+]CCCOc2ccc([N+](=O)[O-])cc2)[C@@H]2CCCO[C@H]21 ZINC001119305105 1371302188 /nfs/dbraw/zinc/30/21/88/1371302188.db2.gz BMQOYMKUCMVHFM-GVDBMIGSSA-N 1 0 334.416 3.157 20 5 EGBDRO CO[C@H](C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC001326283817 1388142195 /nfs/dbraw/zinc/14/21/95/1388142195.db2.gz QQPMATPUYBBQFS-APPDUMDISA-N 1 0 333.363 3.354 20 5 EGBDRO Nc1cn(-c2ccc(F)cc2[N+](=O)[O-])cc(-c2cccc(F)c2)c1=[NH2+] ZINC001210952455 1372459571 /nfs/dbraw/zinc/45/95/71/1372459571.db2.gz ISDLHBJUFBEKBK-UHFFFAOYSA-N 1 0 342.305 3.392 20 5 EGBDRO CC(C)(C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC001129623882 1373403871 /nfs/dbraw/zinc/40/38/71/1373403871.db2.gz DBSVZMISRJPWFG-UHFFFAOYSA-N 1 0 333.432 3.017 20 5 EGBDRO [NH3+][C@H](Cc1nnc(-c2cccc(F)c2)o1)c1cccc([N+](=O)[O-])c1 ZINC001217734406 1373497624 /nfs/dbraw/zinc/49/76/24/1373497624.db2.gz WPVZZBWQTMAVFV-CQSZACIVSA-N 1 0 328.303 3.026 20 5 EGBDRO CC1(C)[NH2+][C@@H](CO[C@@H](c2ccccc2)c2ccccc2[N+](=O)[O-])CO1 ZINC001217929990 1373512845 /nfs/dbraw/zinc/51/28/45/1373512845.db2.gz MGTKFJUJBSYKIX-YJBOKZPZSA-N 1 0 342.395 3.425 20 5 EGBDRO O=c1c2ccc(O)cc2oc2cc(O[C@H]3CCCC[NH2+]C3)ccc12 ZINC001217970710 1373521764 /nfs/dbraw/zinc/52/17/64/1373521764.db2.gz PMAMFUDBSTUBBR-AWEZNQCLSA-N 1 0 325.364 3.173 20 5 EGBDRO O=[N+]([O-])c1cc([N+](=O)[O-])c(O[C@H]2C[NH2+]CCC[C@H]2F)c2ccccc21 ZINC001217982009 1373524867 /nfs/dbraw/zinc/52/48/67/1373524867.db2.gz SRCAXGZVWVLLMH-DOMZBBRYSA-N 1 0 349.318 3.125 20 5 EGBDRO C[C@H]1C[NH2+]CCC[C@@H]1Oc1ccc([N+](=O)[O-])cc1Br ZINC001217988509 1373528059 /nfs/dbraw/zinc/52/80/59/1373528059.db2.gz QLXCDDMENCVMJE-CABZTGNLSA-N 1 0 329.194 3.124 20 5 EGBDRO C[C@H](Oc1cc(N2CCCCC2)ccc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC001218004903 1373532280 /nfs/dbraw/zinc/53/22/80/1373532280.db2.gz GNKHWORRDNOZMI-AWEZNQCLSA-N 1 0 333.432 3.352 20 5 EGBDRO C[C@H](Oc1cccc(Br)c1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC001218009242 1373535989 /nfs/dbraw/zinc/53/59/89/1373535989.db2.gz JIRDPEJPYFOBOQ-VIFPVBQESA-N 1 0 329.194 3.124 20 5 EGBDRO C[C@H]1CC[NH2+]CC[C@@H]1Oc1cc(Br)ccc1[N+](=O)[O-] ZINC001218025028 1373541438 /nfs/dbraw/zinc/54/14/38/1373541438.db2.gz COMXVFYCSPBDPQ-CABZTGNLSA-N 1 0 329.194 3.124 20 5 EGBDRO C[C@H]1C[C@H](Oc2cc(C(=O)OC(C)(C)C)ccc2[N+](=O)[O-])CC[NH2+]1 ZINC001218053761 1373548860 /nfs/dbraw/zinc/54/88/60/1373548860.db2.gz UFNPJGHLMRXPSQ-WCQYABFASA-N 1 0 336.388 3.069 20 5 EGBDRO C[NH2+][C@H]1CC[C@H](Oc2c(Br)cc(F)cc2[N+](=O)[O-])CC1 ZINC001218189689 1373574817 /nfs/dbraw/zinc/57/48/17/1373574817.db2.gz IUWAKQUGWXBFNJ-MGCOHNPYSA-N 1 0 347.184 3.406 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)cc(Br)c1O[C@@H]1CCC12C[NH2+]C2 ZINC001218244010 1373582497 /nfs/dbraw/zinc/58/24/97/1373582497.db2.gz JTAZORXYNSWZHH-SNVBAGLBSA-N 1 0 347.596 3.142 20 5 EGBDRO Cc1cc(Br)c(O[C@@H]2C[C@@H]3CC[NH2+][C@H]3C2)cc1[N+](=O)[O-] ZINC001218248142 1373583454 /nfs/dbraw/zinc/58/34/54/1373583454.db2.gz DJNZNCVHYWTSKP-UMNHJUIQSA-N 1 0 341.205 3.185 20 5 EGBDRO C[C@@H]1CC[C@@H](Oc2c(Br)cc(F)cc2[N+](=O)[O-])C[NH2+]1 ZINC001218396703 1373606506 /nfs/dbraw/zinc/60/65/06/1373606506.db2.gz ALZBJORDYALMFV-VXNVDRBHSA-N 1 0 333.157 3.016 20 5 EGBDRO C[C@@H]1CC[NH2+]C[C@@H]1Oc1c(Br)cc(Cl)cc1[N+](=O)[O-] ZINC001218483679 1373623549 /nfs/dbraw/zinc/62/35/49/1373623549.db2.gz YGZSCTYRGQJCPU-HQJQHLMTSA-N 1 0 349.612 3.388 20 5 EGBDRO CC(C)CC1(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])CCC1 ZINC001131141512 1373651358 /nfs/dbraw/zinc/65/13/58/1373651358.db2.gz CEIIOODPZJUFTB-UHFFFAOYSA-N 1 0 333.432 3.017 20 5 EGBDRO COc1cc(OC2CCN(c3cc[nH+]cc3)CC2)ccc1[N+](=O)[O-] ZINC001225435429 1375110349 /nfs/dbraw/zinc/11/03/49/1375110349.db2.gz HBGKOUAWSFLDAB-UHFFFAOYSA-N 1 0 329.356 3.046 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(O[C@@H]2CC[N@@H+]([C@H](C)c3ccccn3)C2)c1 ZINC001226447130 1375260381 /nfs/dbraw/zinc/26/03/81/1375260381.db2.gz PKYUECPNPQSTGG-UKRRQHHQSA-N 1 0 343.383 3.213 20 5 EGBDRO O=[N+]([O-])c1cc(F)cnc1OC1CC[NH+](CCc2ccccc2)CC1 ZINC001226751654 1375325007 /nfs/dbraw/zinc/32/50/07/1375325007.db2.gz OFMRBENNMBQFAB-UHFFFAOYSA-N 1 0 345.374 3.215 20 5 EGBDRO Cc1cc(O[C@@H]2C[NH+]3CCC2CC3)c([N+](=O)[O-])cc1Br ZINC001228000493 1375501489 /nfs/dbraw/zinc/50/14/89/1375501489.db2.gz JNWZKJARAFHEIO-CQSZACIVSA-N 1 0 341.205 3.139 20 5 EGBDRO CC(C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1nccc(Cl)c1[N+](=O)[O-])C2 ZINC001228017493 1375504538 /nfs/dbraw/zinc/50/45/38/1375504538.db2.gz OASCFBRBCKRZKI-GDNZZTSVSA-N 1 0 325.796 3.426 20 5 EGBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ccc([N+](=O)[O-])c(Br)c1)C2 ZINC001229080359 1375758542 /nfs/dbraw/zinc/75/85/42/1375758542.db2.gz FYRNKCSVQWALJP-IAZYJMLFSA-N 1 0 341.205 3.361 20 5 EGBDRO CC[NH+]1CCC(Oc2ccc([N+](=O)[O-])c(Br)c2)CC1 ZINC001229080120 1375758798 /nfs/dbraw/zinc/75/87/98/1375758798.db2.gz CPHBJGHJOOBNPP-UHFFFAOYSA-N 1 0 329.194 3.220 20 5 EGBDRO CCCc1ccc(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001133089479 1375768228 /nfs/dbraw/zinc/76/82/28/1375768228.db2.gz ICKXKJLFSVQLLD-UHFFFAOYSA-N 1 0 341.411 3.067 20 5 EGBDRO O=[N+]([O-])c1ccc(O)c(OC2CC[NH+](CCc3ccccc3)CC2)c1 ZINC001229394997 1375827047 /nfs/dbraw/zinc/82/70/47/1375827047.db2.gz DKLZHTPVRIEIRL-UHFFFAOYSA-N 1 0 342.395 3.386 20 5 EGBDRO O=c1c2ccc(O)cc2oc2cc(O[C@H]3C[NH+]4CCC3CC4)ccc21 ZINC001229515853 1375849644 /nfs/dbraw/zinc/84/96/44/1375849644.db2.gz IAKSXPVKRPTORP-IBGZPJMESA-N 1 0 337.375 3.125 20 5 EGBDRO Cc1ccc(C(=O)c2ccc(O)c(O[C@@H](C)C[N+](C)(C)C)c2)cc1 ZINC001229537989 1375852642 /nfs/dbraw/zinc/85/26/42/1375852642.db2.gz OCWUVXHMGXSETB-HNNXBMFYSA-O 1 0 328.432 3.405 20 5 EGBDRO C[NH+](C)C1CCC(Oc2cc(Br)cnc2[N+](=O)[O-])CC1 ZINC001229560687 1375854775 /nfs/dbraw/zinc/85/47/75/1375854775.db2.gz PPWUWDUTQFFMKO-UHFFFAOYSA-N 1 0 344.209 3.004 20 5 EGBDRO Cc1cc(Cl)ccc1C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001133251756 1375869538 /nfs/dbraw/zinc/86/95/38/1375869538.db2.gz AIDHXZUTPVPLTH-UHFFFAOYSA-N 1 0 347.802 3.076 20 5 EGBDRO C[N@H+](CCCNC(=O)CC1CCCC1)Cc1cccc([N+](=O)[O-])c1 ZINC001231378517 1376231525 /nfs/dbraw/zinc/23/15/25/1376231525.db2.gz FIMWSQQPIHHYOE-UHFFFAOYSA-N 1 0 333.432 3.113 20 5 EGBDRO O=[N+]([O-])c1ccc(O[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC001233705195 1376700493 /nfs/dbraw/zinc/70/04/93/1376700493.db2.gz WBDDQJBSZGHISO-HNNXBMFYSA-N 1 0 343.339 3.156 20 5 EGBDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2Oc1ccc2cccc([N+](=O)[O-])c2n1 ZINC001233842531 1376725766 /nfs/dbraw/zinc/72/57/66/1376725766.db2.gz YFJNUBRWHHJZPS-ZSBFGKGUSA-N 1 0 327.384 3.252 20 5 EGBDRO CC(C)[N@@H+]1CC[C@@H](Oc2cc(N3CCCCC3)ccc2[N+](=O)[O-])C1 ZINC001234369634 1376823051 /nfs/dbraw/zinc/82/30/51/1376823051.db2.gz WHNPAQFPFNILDH-MRXNPFEDSA-N 1 0 333.432 3.447 20 5 EGBDRO Nc1cc2nc3ccccc3nc2cc1NC(=O)CC[NH+]1CCCCC1 ZINC001142918532 1378509471 /nfs/dbraw/zinc/50/94/71/1378509471.db2.gz IXYBJACBIYJINC-UHFFFAOYSA-N 1 0 349.438 3.180 20 5 EGBDRO CC1(C)CCC(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001152842735 1379986133 /nfs/dbraw/zinc/98/61/33/1379986133.db2.gz AXQMJAGYNRLFSW-UHFFFAOYSA-N 1 0 333.432 3.017 20 5 EGBDRO C[C@H]1C[NH2+]CCC[C@@H]1CNc1ccc(-c2ccccc2[N+](=O)[O-])nn1 ZINC001155035042 1380395531 /nfs/dbraw/zinc/39/55/31/1380395531.db2.gz ZYMSVUJANHNNEV-UONOGXRCSA-N 1 0 341.415 3.099 20 5 EGBDRO Cc1ccc2c(c1)[C@@H](Nc1cc([N+](=O)[O-])ccn1)CC21CC[NH2+]CC1 ZINC001155431574 1380452056 /nfs/dbraw/zinc/45/20/56/1380452056.db2.gz UYHVZTGNJUXZRB-KRWDZBQOSA-N 1 0 338.411 3.476 20 5 EGBDRO COc1cccc(N(c2ncc([N+](=O)[O-])cc2F)C2CC[NH2+]CC2)c1 ZINC001155606402 1380472610 /nfs/dbraw/zinc/47/26/10/1380472610.db2.gz TYTIIBQKHPUHSP-UHFFFAOYSA-N 1 0 346.362 3.028 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(N2CC[NH2+]C[C@@H]2c2cccs2)nc1Cl ZINC001156097454 1380524895 /nfs/dbraw/zinc/52/48/95/1380524895.db2.gz IVKRXOZGYNDESU-LLVKDONJSA-N 1 0 338.820 3.164 20 5 EGBDRO CN(c1nc2ccccc2c(Cl)c1[N+](=O)[O-])[C@]1(C)CCC[NH2+]C1 ZINC001156955804 1380737326 /nfs/dbraw/zinc/73/73/26/1380737326.db2.gz LVZKDCWIINPQAU-MRXNPFEDSA-N 1 0 334.807 3.375 20 5 EGBDRO CN(CC[N@H+](C)Cc1ccccc1)c1ncc(Cl)cc1[N+](=O)[O-] ZINC001157552046 1380961595 /nfs/dbraw/zinc/96/15/95/1380961595.db2.gz ZEKZJSJOGAGGGS-UHFFFAOYSA-N 1 0 334.807 3.211 20 5 EGBDRO C[NH2+]CCN(c1cc(C)nc(-c2ccc([N+](=O)[O-])cc2)n1)C(C)(C)C ZINC001157833342 1381047306 /nfs/dbraw/zinc/04/73/06/1381047306.db2.gz KWXWBSRSMKBDLX-UHFFFAOYSA-N 1 0 343.431 3.185 20 5 EGBDRO CC(C)(C)CN(c1cnc2cc([N+](=O)[O-])ccc2n1)C1CC[NH2+]CC1 ZINC001157884217 1381059372 /nfs/dbraw/zinc/05/93/72/1381059372.db2.gz QGRFAKBPUUXZDK-UHFFFAOYSA-N 1 0 343.431 3.143 20 5 EGBDRO [NH3+]CCN(c1cccnc1)c1cc(Cl)nc2ccc([N+](=O)[O-])cc21 ZINC001158001859 1381098943 /nfs/dbraw/zinc/09/89/43/1381098943.db2.gz SJQPAWKFUCLSHB-UHFFFAOYSA-N 1 0 343.774 3.288 20 5 EGBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N[C@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)n1 ZINC001158268636 1381178871 /nfs/dbraw/zinc/17/88/71/1381178871.db2.gz PPKKBTLKVSPMAO-ZUZCIYMTSA-N 1 0 341.843 3.302 20 5 EGBDRO CC(C)[N@@H+]1CCN(c2nc(Cl)c(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC001158494948 1381268178 /nfs/dbraw/zinc/26/81/78/1381268178.db2.gz TVGRREFHLSZLKJ-VIFPVBQESA-N 1 0 333.219 3.216 20 5 EGBDRO CC(C)[N@@H+]1CCN(c2nc(Cl)cc(Cl)c2[N+](=O)[O-])C[C@@H]1C ZINC001158495158 1381268484 /nfs/dbraw/zinc/26/84/84/1381268484.db2.gz WURWFOYOZOSIDP-VIFPVBQESA-N 1 0 333.219 3.216 20 5 EGBDRO C[C@H](Nc1ccc2ccc3ccc(Cl)nc3c2n1)[C@H]1C[NH2+]CCO1 ZINC001159499390 1381808028 /nfs/dbraw/zinc/80/80/28/1381808028.db2.gz PLXVCDPFRNOTOZ-SMDDNHRTSA-N 1 0 342.830 3.225 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1Nc1ccc(N2CCC[C@@H]([NH3+])C2)cc1 ZINC001159982068 1381958435 /nfs/dbraw/zinc/95/84/35/1381958435.db2.gz QBMJILSQJXCCTR-CYBMUJFWSA-N 1 0 342.399 3.275 20 5 EGBDRO O=[N+]([O-])c1cc(F)ccc1Nc1cc(F)ccc1N1CC[NH2+]CC1 ZINC001160046737 1381979757 /nfs/dbraw/zinc/97/97/57/1381979757.db2.gz YCKCGEZMYROAFD-UHFFFAOYSA-N 1 0 334.326 3.026 20 5 EGBDRO Nc1c(F)cccc1N(c1cc(F)cc([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC001160064496 1381987410 /nfs/dbraw/zinc/98/74/10/1381987410.db2.gz ORWHJPFJFSDMID-UHFFFAOYSA-N 1 0 348.353 3.345 20 5 EGBDRO Nc1cc(F)ccc1N(c1cc(F)cc([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC001160091641 1381993481 /nfs/dbraw/zinc/99/34/81/1381993481.db2.gz LVDNVSSNGYDCND-UHFFFAOYSA-N 1 0 348.353 3.345 20 5 EGBDRO O=[N+]([O-])c1ccc(F)c(Nc2cccc(F)c2N2CC[NH2+]CC2)c1 ZINC001160110773 1381999785 /nfs/dbraw/zinc/99/97/85/1381999785.db2.gz WAUGQFWMVVFMCD-UHFFFAOYSA-N 1 0 334.326 3.026 20 5 EGBDRO C[C@H](C[NH3+])CN(Cc1ccccc1)c1cc(Cl)ncc1[N+](=O)[O-] ZINC001160661741 1382163839 /nfs/dbraw/zinc/16/38/39/1382163839.db2.gz JMGBRJYXWLEFNO-GFCCVEGCSA-N 1 0 334.807 3.245 20 5 EGBDRO COc1cccc2c1c(C[NH3+])cn2-c1nc(Cl)c(C)cc1[N+](=O)[O-] ZINC001160763641 1382189379 /nfs/dbraw/zinc/18/93/79/1382189379.db2.gz KGABVNXOCPCXKL-UHFFFAOYSA-N 1 0 346.774 3.363 20 5 EGBDRO CC[N@H+](CCNc1ncnc2c(Cl)cc([N+](=O)[O-])cc12)C1CC1 ZINC001328508636 1388767646 /nfs/dbraw/zinc/76/76/46/1388767646.db2.gz ZFGLJLDRZMZHBR-UHFFFAOYSA-N 1 0 335.795 3.088 20 5 EGBDRO C[NH+](C)C1(CNc2ncnc3c(Cl)cc([N+](=O)[O-])cc23)CCC1 ZINC001328555986 1388774229 /nfs/dbraw/zinc/77/42/29/1388774229.db2.gz IBWHURCMAZGWHU-UHFFFAOYSA-N 1 0 335.795 3.088 20 5 EGBDRO CC[NH+](CC)C1CCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC001293020477 1382246555 /nfs/dbraw/zinc/24/65/55/1382246555.db2.gz BQDBCACEBSEGNN-ZWKOTPCHSA-N 1 0 345.443 3.031 20 5 EGBDRO Cc1cc(Nc2cccc(CC[NH3+])c2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001161077195 1382291180 /nfs/dbraw/zinc/29/11/80/1382291180.db2.gz NXDSKIIHVFAHIW-UHFFFAOYSA-N 1 0 349.394 3.027 20 5 EGBDRO O=[N+]([O-])c1c[nH]c2ccc(NCC3CC[NH+](CC4CCC4)CC3)nc21 ZINC001161233078 1382350408 /nfs/dbraw/zinc/35/04/08/1382350408.db2.gz HYPCQVQUCGYKGP-UHFFFAOYSA-N 1 0 343.431 3.395 20 5 EGBDRO Cc1ccnc(NCC2CC[NH+](Cc3ccccn3)CC2)c1[N+](=O)[O-] ZINC001161242919 1382352420 /nfs/dbraw/zinc/35/24/20/1382352420.db2.gz JHMFXZARJVMWGO-UHFFFAOYSA-N 1 0 341.415 3.017 20 5 EGBDRO CC(C)Oc1nc(N(CC[NH3+])c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC001161882712 1382538609 /nfs/dbraw/zinc/53/86/09/1382538609.db2.gz MKULHXWXGHFNRP-UHFFFAOYSA-N 1 0 334.351 3.013 20 5 EGBDRO [NH3+]CCN(c1ccc2ncc([N+](=O)[O-])n2c1)c1cccc2ccccc21 ZINC001162005577 1382596448 /nfs/dbraw/zinc/59/64/48/1382596448.db2.gz SWVQAXUQQODUDJ-UHFFFAOYSA-N 1 0 347.378 3.493 20 5 EGBDRO Cc1oc(C)c(C(=O)NCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)c1C ZINC001162103753 1382629947 /nfs/dbraw/zinc/62/99/47/1382629947.db2.gz MOEHMEFAXXABRA-UHFFFAOYSA-N 1 0 345.399 3.023 20 5 EGBDRO COc1cc(C)c([N+](=O)[O-])cc1-n1c2ccccc2nc1[C@H](C)[NH3+] ZINC001162765760 1382865611 /nfs/dbraw/zinc/86/56/11/1382865611.db2.gz JFEUDIDBEYNOPI-NSHDSACASA-N 1 0 326.356 3.270 20 5 EGBDRO COc1cc(-n2c3ccccc3nc2[C@@H](C)[NH3+])cc([N+](=O)[O-])c1C ZINC001162777535 1382869477 /nfs/dbraw/zinc/86/94/77/1382869477.db2.gz TXRPYUUUPCWEIM-LLVKDONJSA-N 1 0 326.356 3.270 20 5 EGBDRO COc1cc(C)c([N+](=O)[O-])cc1NCc1ccc2c(c1)CC[NH2+]C2 ZINC001162809488 1382880048 /nfs/dbraw/zinc/88/00/48/1382880048.db2.gz BUEUHSPFYKNKNH-UHFFFAOYSA-N 1 0 327.384 3.170 20 5 EGBDRO Cc1c(F)cc([N+](=O)[O-])cc1NC[C@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001162965862 1382930691 /nfs/dbraw/zinc/93/06/91/1382930691.db2.gz ALLKNLVGHXKPTK-CQSZACIVSA-N 1 0 337.395 3.003 20 5 EGBDRO Cc1c(C)n(-c2ccc3nc[nH]c3c2[N+](=O)[O-])c2ccc(C[NH3+])cc12 ZINC001163761589 1383119141 /nfs/dbraw/zinc/11/91/41/1383119141.db2.gz HWWSAIOYYOTORM-UHFFFAOYSA-N 1 0 335.367 3.491 20 5 EGBDRO O=C(NCCC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1)C1=CCCC1 ZINC001164075871 1383153297 /nfs/dbraw/zinc/15/32/97/1383153297.db2.gz OFSXYDRPOCIGCN-UHFFFAOYSA-N 1 0 343.427 3.081 20 5 EGBDRO C[C@H]1CC[C@H](C[NH3+])CN1c1ccc2c(ccc(Cl)c2[N+](=O)[O-])n1 ZINC001164468529 1383189732 /nfs/dbraw/zinc/18/97/32/1383189732.db2.gz RYKNERIXIPAPFR-WDEREUQCSA-N 1 0 334.807 3.360 20 5 EGBDRO O=[N+]([O-])c1cccc2ccc(N3CC[NH2+][C@H](Cc4ccccc4)C3)nc21 ZINC001164607667 1383206566 /nfs/dbraw/zinc/20/65/66/1383206566.db2.gz IAHQKZMLRZSYGN-QGZVFWFLSA-N 1 0 348.406 3.164 20 5 EGBDRO O=[N+]([O-])c1c(Cl)cc(Cl)nc1N1CCC2(CCCC[NH2+]2)CC1 ZINC001165246086 1383257353 /nfs/dbraw/zinc/25/73/53/1383257353.db2.gz BGMARJMXCZZZCE-UHFFFAOYSA-N 1 0 345.230 3.409 20 5 EGBDRO C[N@@H+]1CCC[C@H](CCNc2ncc(F)c3cc([N+](=O)[O-])ccc32)C1 ZINC001165273803 1383263933 /nfs/dbraw/zinc/26/39/33/1383263933.db2.gz WJYLSSXXPAGVOM-GFCCVEGCSA-N 1 0 332.379 3.426 20 5 EGBDRO O=[N+]([O-])c1cc(NC[C@@H](c2ccccc2)[NH+]2CCCC2)cnc1F ZINC001166911555 1383499321 /nfs/dbraw/zinc/49/93/21/1383499321.db2.gz WCJCPYZYFYHTKM-INIZCTEOSA-N 1 0 330.363 3.378 20 5 EGBDRO C[NH2+]Cc1cn(-c2cc([N+](=O)[O-])c3cc[nH]c3n2)c2ccc(C)cc12 ZINC001167123512 1383544966 /nfs/dbraw/zinc/54/49/66/1383544966.db2.gz KZLPHONBOAPJJP-UHFFFAOYSA-N 1 0 335.367 3.443 20 5 EGBDRO Cc1c(N2C(C)(C)CC([NH3+])CC2(C)C)ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001167624959 1383691990 /nfs/dbraw/zinc/69/19/90/1383691990.db2.gz JMMKSYUVYYEFOC-UHFFFAOYSA-N 1 0 336.392 3.296 20 5 EGBDRO COc1c([N+](=O)[O-])cc(Cl)c(C)c1-n1nc(C[NH3+])c2ccccc21 ZINC001167698383 1383714740 /nfs/dbraw/zinc/71/47/40/1383714740.db2.gz ULVFSOKXUQNBJL-UHFFFAOYSA-N 1 0 346.774 3.363 20 5 EGBDRO Cc1c(NCCC[N@H+]2CCCC[C@H]2C)ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001167752347 1383730606 /nfs/dbraw/zinc/73/06/06/1383730606.db2.gz FKEAGVDQGQMLKS-GFCCVEGCSA-N 1 0 336.392 3.488 20 5 EGBDRO O=[N+]([O-])c1ccc(NCC2([NH+]3CCCC3)COC2)c2ccccc21 ZINC001168448300 1383908620 /nfs/dbraw/zinc/90/86/20/1383908620.db2.gz ULEGVKUMJWZZBP-UHFFFAOYSA-N 1 0 327.384 3.025 20 5 EGBDRO COc1c([N+](=O)[O-])cc(Cl)c(C)c1N(CC[NH3+])c1cccnc1 ZINC001168838443 1384027996 /nfs/dbraw/zinc/02/79/96/1384027996.db2.gz WFUMRDKYJCZURC-UHFFFAOYSA-N 1 0 336.779 3.057 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CCCc2cncc(C(F)(F)F)c2)C1 ZINC001168959380 1384070489 /nfs/dbraw/zinc/07/04/89/1384070489.db2.gz VJEGXPFCYCWLIG-GXTWGEPZSA-N 1 0 331.338 3.068 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2ccc(F)c(Br)c2)C1 ZINC001168959043 1384070934 /nfs/dbraw/zinc/07/09/34/1384070934.db2.gz SRUMAPDWQWUFLO-MNOVXSKESA-N 1 0 331.185 3.123 20 5 EGBDRO COc1ccc2c(c1)c(C[C@H](C)[NH3+])cn2[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168969515 1384073188 /nfs/dbraw/zinc/07/31/88/1384073188.db2.gz FDMDFKWYEFRKHZ-KCQAQPDRSA-N 1 0 331.416 3.158 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H](c2ccccc2F)C2CCOCC2)C1 ZINC001168981145 1384077328 /nfs/dbraw/zinc/07/73/28/1384077328.db2.gz GKJQVOLVBBMYFX-QIIPPGSGSA-N 1 0 336.407 3.328 20 5 EGBDRO COc1ccc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1C(F)(F)F ZINC001168979783 1384077400 /nfs/dbraw/zinc/07/74/00/1384077400.db2.gz ZYKFKGOCHIUFDJ-VXGBXAGGSA-N 1 0 332.322 3.249 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C[C@@H](O)c2c(Cl)cccc2Cl)C1 ZINC001168980412 1384077763 /nfs/dbraw/zinc/07/77/63/1384077763.db2.gz DJJMWIBSJDRZDV-GIPNMCIBSA-N 1 0 333.215 3.062 20 5 EGBDRO O=C(C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccc(Cl)c(Cl)c1 ZINC001168983462 1384079505 /nfs/dbraw/zinc/07/95/05/1384079505.db2.gz KHCRKZJCWQISQT-GXSJLCMTSA-N 1 0 331.199 3.211 20 5 EGBDRO CC(C)C[C@@H](CC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168986859 1384080022 /nfs/dbraw/zinc/08/00/22/1384080022.db2.gz FNLPVIJXJAFZBP-KFWWJZLASA-N 1 0 328.453 3.168 20 5 EGBDRO COCCC1(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CCC(F)(F)CC1 ZINC001168998176 1384082960 /nfs/dbraw/zinc/08/29/60/1384082960.db2.gz JDSIDDHUDMVDPH-KGLIPLIRSA-N 1 0 334.407 3.254 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CCc2ccc(Br)s2)C1 ZINC001169005865 1384086372 /nfs/dbraw/zinc/08/63/72/1384086372.db2.gz VENBPIISCOTFBM-ZJUUUORDSA-N 1 0 333.251 3.088 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCC(COc3ccc(F)cc3)CC2)C1 ZINC001169039935 1384098357 /nfs/dbraw/zinc/09/83/57/1384098357.db2.gz VZLVPBAPGOBPMP-NVXWUHKLSA-N 1 0 336.407 3.362 20 5 EGBDRO CN(Cc1ccccc1F)C1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169043809 1384099076 /nfs/dbraw/zinc/09/90/76/1384099076.db2.gz HUWBZRZXYOVAMU-MAUKXSAKSA-N 1 0 349.450 3.167 20 5 EGBDRO CC1(C)C[C@@H](Nc2ccc3ncc([N+](=O)[O-])n3c2)C[C@](C)(C[NH3+])C1 ZINC001169141190 1384112868 /nfs/dbraw/zinc/11/28/68/1384112868.db2.gz AXJQLYQTBSPDLE-DYVFJYSZSA-N 1 0 331.420 3.198 20 5 EGBDRO Cc1cc(NCC[C@H]2CCC[NH2+]2)c([N+](=O)[O-])cc1Br ZINC001169570091 1384160840 /nfs/dbraw/zinc/16/08/40/1384160840.db2.gz YACTUCUMCDUJRX-SNVBAGLBSA-N 1 0 328.210 3.220 20 5 EGBDRO [NH3+]Cc1ccc2c(n1)N(c1nccc3c1cccc3[N+](=O)[O-])CCC2 ZINC001169584372 1384162091 /nfs/dbraw/zinc/16/20/91/1384162091.db2.gz LPRVXINSZDRMTB-UHFFFAOYSA-N 1 0 335.367 3.081 20 5 EGBDRO COc1ccnc(N2CCC[C@@H]([NH3+])c3cc(C)ccc32)c1[N+](=O)[O-] ZINC001169683431 1384173274 /nfs/dbraw/zinc/17/32/74/1384173274.db2.gz MKJIBVLVTXPBLQ-CYBMUJFWSA-N 1 0 328.372 3.239 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+]C[C@](C)(O)c2ccccc2)c([N+](=O)[O-])c1 ZINC001170298116 1384285154 /nfs/dbraw/zinc/28/51/54/1384285154.db2.gz FPFBBYJDFDHMML-LIRRHRJNSA-N 1 0 344.411 3.032 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2c(F)cccc2OC)c([N+](=O)[O-])c1 ZINC001170310514 1384287906 /nfs/dbraw/zinc/28/79/06/1384287906.db2.gz XOUAIJGQQHMUOZ-GFCCVEGCSA-N 1 0 348.374 3.472 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+]CC2(c3ccccn3)CC2)c([N+](=O)[O-])c1 ZINC001170313041 1384288291 /nfs/dbraw/zinc/28/82/91/1384288291.db2.gz JKPWCHQBRAASDM-AWEZNQCLSA-N 1 0 341.411 3.251 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+]C2(c3cccnc3)CC2)c([N+](=O)[O-])c1 ZINC001170312171 1384288378 /nfs/dbraw/zinc/28/83/78/1384288378.db2.gz DHDZXETWODYWRU-CYBMUJFWSA-N 1 0 327.384 3.208 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H](C)Cc2cccc(O)c2)c([N+](=O)[O-])c1 ZINC001170317456 1384289826 /nfs/dbraw/zinc/28/98/26/1384289826.db2.gz IUWMLMWGHXCHDN-UONOGXRCSA-N 1 0 344.411 3.461 20 5 EGBDRO Cc1c(F)cnc(-n2c3ccccc3c3c2C[C@@H]([NH3+])CC3)c1[N+](=O)[O-] ZINC001171089643 1384443712 /nfs/dbraw/zinc/44/37/12/1384443712.db2.gz HIYBXJQKMKSWGI-NSHDSACASA-N 1 0 340.358 3.197 20 5 EGBDRO [NH3+]C[C@@H]1COc2ccccc2N1c1ccc([N+](=O)[O-])c2cnccc21 ZINC001171401477 1384513432 /nfs/dbraw/zinc/51/34/32/1384513432.db2.gz WKYBTCSKBGQXSD-GFCCVEGCSA-N 1 0 336.351 3.001 20 5 EGBDRO Cc1ccc(C)c(C(=O)NCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)c1 ZINC001171941128 1384689488 /nfs/dbraw/zinc/68/94/88/1384689488.db2.gz RLLVUPCLBYPMJB-UHFFFAOYSA-N 1 0 341.411 3.121 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]Cc1cccc3c1OCO3)CC2 ZINC001172902391 1384874690 /nfs/dbraw/zinc/87/46/90/1384874690.db2.gz XXCNMTJQIAWEGM-MRXNPFEDSA-N 1 0 340.379 3.361 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CCC[C@@](O)(CF)CC1)CC2 ZINC001172908823 1384876297 /nfs/dbraw/zinc/87/62/97/1384876297.db2.gz OUJNBLFWNYSYMV-AEFFLSMTSA-N 1 0 336.407 3.029 20 5 EGBDRO CC1(C)C[C@H]([NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C(C)(C)N1O ZINC001172912085 1384876338 /nfs/dbraw/zinc/87/63/38/1384876338.db2.gz LOUYHZKYVCSGES-WBVHZDCISA-N 1 0 347.459 3.453 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]C1CCN(C3CC3)CC1)CC2 ZINC001172912951 1384876952 /nfs/dbraw/zinc/87/69/52/1384876952.db2.gz SAXNDFYRBZOKJB-INIZCTEOSA-N 1 0 329.444 3.059 20 5 EGBDRO CCCCN1CC[NH+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172915445 1384877777 /nfs/dbraw/zinc/87/77/77/1384877777.db2.gz NAGBMTOVTPAITA-SFHVURJKSA-N 1 0 331.460 3.260 20 5 EGBDRO CC[N@H+](CCN1CCCC1)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172918192 1384878055 /nfs/dbraw/zinc/87/80/55/1384878055.db2.gz YQBDBLIKSADLAW-GOSISDBHSA-N 1 0 331.460 3.260 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH+]1CCC3(C[C@@H](F)CO3)CC1)CC2 ZINC001172921832 1384880077 /nfs/dbraw/zinc/88/00/77/1384880077.db2.gz UONZPPPDYYQIJF-IAGOWNOFSA-N 1 0 348.418 3.435 20 5 EGBDRO CCN(CC)[C@@H]1CC[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172921327 1384880117 /nfs/dbraw/zinc/88/01/17/1384880117.db2.gz ONMWEYPEJNYPLN-PKOBYXMFSA-N 1 0 331.460 3.258 20 5 EGBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH2+][C@@H]3CC[C@@H](F)C3)CC2)c(F)c1 ZINC001173006227 1384897256 /nfs/dbraw/zinc/89/72/56/1384897256.db2.gz PRUMYWRJCHUIPY-ZYHUDNBSSA-N 1 0 343.349 3.322 20 5 EGBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH2+]CCC3CC3)CC2)c(F)c1 ZINC001173009761 1384897930 /nfs/dbraw/zinc/89/79/30/1384897930.db2.gz BKCRSUKRKZQJCT-UHFFFAOYSA-N 1 0 325.359 3.232 20 5 EGBDRO O=[N+]([O-])c1cc(F)c(N2CCC([N@@H+]3CCC[C@@H]3CF)CC2)c(F)c1 ZINC001173016175 1384897962 /nfs/dbraw/zinc/89/79/62/1384897962.db2.gz IVWUYOWNSSIZFV-GFCCVEGCSA-N 1 0 343.349 3.276 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@H]2CCc3ncccc32)c1F ZINC001173184613 1384932388 /nfs/dbraw/zinc/93/23/88/1384932388.db2.gz RWWHLNLKDFEQDJ-NHYWBVRUSA-N 1 0 345.374 3.346 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+](C)CC2CCOCC2)c1F ZINC001173180777 1384932776 /nfs/dbraw/zinc/93/27/76/1384932776.db2.gz MZICCABSUDNZPN-LBPRGKRZSA-N 1 0 340.395 3.032 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2C[C@@H]3C[C@H]2C[C@H]3F)c1F ZINC001173190083 1384933274 /nfs/dbraw/zinc/93/32/74/1384933274.db2.gz QCHIHTLYTXMUBN-MPPDQPJWSA-N 1 0 326.343 3.106 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+]2CC[C@@H](OC)C[C@H]2C)c1F ZINC001173192872 1384934355 /nfs/dbraw/zinc/93/43/55/1384934355.db2.gz LGMMJOWKTGGKND-JHJVBQTASA-N 1 0 340.395 3.173 20 5 EGBDRO COC(=O)C[C@H]([NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC001173209330 1384936412 /nfs/dbraw/zinc/93/64/12/1384936412.db2.gz BKOZBECDARSLCL-KDOFPFPSSA-N 1 0 342.395 3.420 20 5 EGBDRO COc1ccccc1OCC[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173212643 1384937207 /nfs/dbraw/zinc/93/72/07/1384937207.db2.gz CAHIAIOMBQDARW-CQSZACIVSA-N 1 0 330.384 3.203 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](CN(C)C)c1ccccc1 ZINC001173215325 1384937632 /nfs/dbraw/zinc/93/76/32/1384937632.db2.gz VARWOUVOVGLPAQ-BEFAXECRSA-N 1 0 327.428 3.418 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1(c2cccc(F)c2)COC1 ZINC001173219144 1384938055 /nfs/dbraw/zinc/93/80/55/1384938055.db2.gz XMMQSEXLAWCTSD-CYBMUJFWSA-N 1 0 330.359 3.180 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cn(CC2CCC2)cn1 ZINC001173224778 1384939352 /nfs/dbraw/zinc/93/93/52/1384939352.db2.gz OWAOSPZQOFTLIB-CQSZACIVSA-N 1 0 328.416 3.312 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCOc1cc(Cl)ccn1 ZINC001173228662 1384940672 /nfs/dbraw/zinc/94/06/72/1384940672.db2.gz JIUHPFIMDUSLEJ-LBPRGKRZSA-N 1 0 335.791 3.243 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCc2ccccc2[C@H]1O ZINC001173234095 1384941701 /nfs/dbraw/zinc/94/17/01/1384941701.db2.gz MMMCOKUCSJYIPR-UPRAQXHNSA-N 1 0 326.396 3.164 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CC2(C1)CC(F)(F)CS2 ZINC001173233201 1384941743 /nfs/dbraw/zinc/94/17/43/1384941743.db2.gz JNJVHASYKCULQL-NSHDSACASA-N 1 0 328.384 3.352 20 5 EGBDRO CCOC(=O)[C@H]1CC[C@H](C[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173236135 1384941950 /nfs/dbraw/zinc/94/19/50/1384941950.db2.gz XMLLJMBWXJTHES-DJIMGWMZSA-N 1 0 348.443 3.485 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cc(F)cc2c1OCOC2 ZINC001173236092 1384942058 /nfs/dbraw/zinc/94/20/58/1384942058.db2.gz WLYZIZHXTOSFBP-GFCCVEGCSA-N 1 0 346.358 3.321 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2cnc(C3CC3)nc2C1 ZINC001173238782 1384943116 /nfs/dbraw/zinc/94/31/16/1384943116.db2.gz YFQLXFAAKZIHRT-CYBMUJFWSA-N 1 0 338.411 3.252 20 5 EGBDRO CCc1ccc(C(=O)NCCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001175085003 1385192497 /nfs/dbraw/zinc/19/24/97/1385192497.db2.gz JSVXLPHUZJVALL-UHFFFAOYSA-N 1 0 341.411 3.067 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001319519714 1386157685 /nfs/dbraw/zinc/15/76/85/1386157685.db2.gz NRBCEZJLFTXFKJ-HIFRSBDPSA-N 1 0 334.420 3.206 20 5 EGBDRO COC(=O)c1cccc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC001321084406 1386805730 /nfs/dbraw/zinc/80/57/30/1386805730.db2.gz DYNIZBUZXGOCLQ-UHFFFAOYSA-N 1 0 328.368 3.406 20 5 EGBDRO CS[C@H]1CC[C@@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001321687822 1386956950 /nfs/dbraw/zinc/95/69/50/1386956950.db2.gz DTNDFVALPHLRQU-YPMHNXCESA-N 1 0 325.390 3.219 20 5 EGBDRO Cc1cc(N2CCCN(c3cc[nH+]cc3)CC2)c(F)cc1[N+](=O)[O-] ZINC001336825659 1389177777 /nfs/dbraw/zinc/17/77/77/1389177777.db2.gz JLOZPNTVFGINBW-UHFFFAOYSA-N 1 0 330.363 3.154 20 5 EGBDRO CC(C)[C@]1(CO)CC[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001331074280 1389621336 /nfs/dbraw/zinc/62/13/36/1389621336.db2.gz BDPVEPBFYMJLAB-OAHLLOKOSA-N 1 0 346.349 3.454 20 5 EGBDRO C[C@@H]([NH3+])c1ccc(C(=O)NC[C@@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC001341317574 1390470247 /nfs/dbraw/zinc/47/02/47/1390470247.db2.gz KEBIGDQMUNUDOL-CHWSQXEVSA-N 1 0 327.384 3.148 20 5 EGBDRO C[NH+](C)C[C@H]1CCCN(c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC001335264380 1390661895 /nfs/dbraw/zinc/66/18/95/1390661895.db2.gz MHLUYBRYAKOKML-LLVKDONJSA-N 1 0 331.338 3.392 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](CC[NH3+])Cc2ccccc21 ZINC001342875903 1390666500 /nfs/dbraw/zinc/66/65/00/1390666500.db2.gz PBPJHAJWIYKLIG-AWEZNQCLSA-N 1 0 339.395 3.071 20 5 EGBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccc(CC[NH3+])cc1 ZINC001343188407 1390698070 /nfs/dbraw/zinc/69/80/70/1390698070.db2.gz QEPPPAMOMBEQAE-UHFFFAOYSA-N 1 0 341.411 3.147 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC001343502750 1390718377 /nfs/dbraw/zinc/71/83/77/1390718377.db2.gz WYTSAQXKZZRRJN-UHFFFAOYSA-N 1 0 334.420 3.105 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(-c2nnc(CC[NH+]3CCC(C)CC3)o2)c1 ZINC001345900639 1390892169 /nfs/dbraw/zinc/89/21/69/1390892169.db2.gz LRZKPMWJJGCEKG-UHFFFAOYSA-N 1 0 330.388 3.228 20 5 EGBDRO CC[NH+](CC)CC[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC001348340167 1391207769 /nfs/dbraw/zinc/20/77/69/1391207769.db2.gz SSVZIOOUJMZUQU-NSHDSACASA-N 1 0 327.812 3.098 20 5 EGBDRO Cc1ccc2[nH]cc(CC[NH2+]C[C@H](O)c3ccc([N+](=O)[O-])cc3)c2c1 ZINC001353261961 1391977634 /nfs/dbraw/zinc/97/76/34/1391977634.db2.gz TVVDJICDSJKRSY-IBGZPJMESA-N 1 0 339.395 3.250 20 5 EGBDRO CC[N@H+](CCNC(=O)c1sccc1C)Cc1ccc([N+](=O)[O-])cc1 ZINC001753077353 1440291979 /nfs/dbraw/zinc/29/19/79/1440291979.db2.gz QGEYVVRPDXUYPA-UHFFFAOYSA-N 1 0 347.440 3.217 20 5 EGBDRO CC[N@H+](CCNC(=O)C1(C)CCCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001753086078 1440296294 /nfs/dbraw/zinc/29/62/94/1440296294.db2.gz COPQAXRXMXCNSH-UHFFFAOYSA-N 1 0 333.432 3.113 20 5 EGBDRO Cc1ccsc1C(=O)NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001754506587 1440616692 /nfs/dbraw/zinc/61/66/92/1440616692.db2.gz LZDBUZAIERJIBQ-UHFFFAOYSA-N 1 0 345.424 3.017 20 5 EGBDRO CC(C(=O)N(C)CCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1)=C1CCC1 ZINC001755036572 1440734801 /nfs/dbraw/zinc/73/48/01/1440734801.db2.gz GUAJIQMFPNQBSC-UHFFFAOYSA-N 1 0 345.443 3.376 20 5 EGBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000485417186 719254582 /nfs/dbraw/zinc/25/45/82/719254582.db2.gz PRXNVKDCVUUWLO-QWHCGFSZSA-N 1 0 344.390 3.325 20 5 EGBDRO CC[NH+](CC)C1CCN(c2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC001165053614 722007425 /nfs/dbraw/zinc/00/74/25/722007425.db2.gz ATORXOHDVJRIJY-UHFFFAOYSA-N 1 0 328.416 3.454 20 5 EGBDRO CC(C)C[C@H]1CCCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001574168083 950504380 /nfs/dbraw/zinc/50/43/80/950504380.db2.gz OAIZPIGWNMASPJ-OAHLLOKOSA-N 1 0 344.419 3.176 20 5 EGBDRO O=[N+]([O-])c1cc(C[N@H+]2CC[C@](CO)(c3ccccc3)C2)ccc1Cl ZINC000368260647 168333687 /nfs/dbraw/zinc/33/36/87/168333687.db2.gz MLVHLXFDZBUKLO-SFHVURJKSA-N 1 0 346.814 3.384 20 5 EGBDRO Cc1cc(N[C@H](c2nccn2C)c2ccccc2F)ncc1[N+](=O)[O-] ZINC000368538894 168369911 /nfs/dbraw/zinc/36/99/11/168369911.db2.gz NHQWLEHOCSBMSC-INIZCTEOSA-N 1 0 341.346 3.372 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCc3nc(C)ncc3C2)cc1[N+](=O)[O-] ZINC000370671253 168525347 /nfs/dbraw/zinc/52/53/47/168525347.db2.gz OVLGWEJTCQCOIK-WBMJQRKESA-N 1 0 326.400 3.210 20 5 EGBDRO Cc1cc(C(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc([N+](=O)[O-])c1 ZINC000181438812 234185702 /nfs/dbraw/zinc/18/57/02/234185702.db2.gz WVENXIRYBNNLLO-CABCVRRESA-N 1 0 345.443 3.286 20 5 EGBDRO Cc1ccc(C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000181476011 234199407 /nfs/dbraw/zinc/19/94/07/234199407.db2.gz ITMNBNMLDJTJIH-HOCLYGCPSA-N 1 0 345.443 3.286 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000130503093 223158215 /nfs/dbraw/zinc/15/82/15/223158215.db2.gz UNBAMJXZVSNLPK-XYVMCAHJSA-N 1 0 332.444 3.447 20 5 EGBDRO Cc1nccn1C[C@H](C)C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192824221 239902195 /nfs/dbraw/zinc/90/21/95/239902195.db2.gz ZWNAGBAZERFJFB-ACJLOTCBSA-N 1 0 328.416 3.403 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000369420452 242005529 /nfs/dbraw/zinc/00/55/29/242005529.db2.gz UUIZNUZRIXHAEP-CABCVRRESA-N 1 0 334.416 3.242 20 5 EGBDRO C[C@@H](C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)[C@@H]([NH3+])c1ccccc1 ZINC000246789781 243315012 /nfs/dbraw/zinc/31/50/12/243315012.db2.gz XPBFZXHHURJIQB-IIYDPXPESA-N 1 0 327.384 3.108 20 5 EGBDRO CCCO[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000247150005 243384101 /nfs/dbraw/zinc/38/41/01/243384101.db2.gz NLFZEZFAYPZPJO-RHSMWYFYSA-N 1 0 349.431 3.203 20 5 EGBDRO Cc1ccc([C@H](C)NC(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000247171115 243386494 /nfs/dbraw/zinc/38/64/94/243386494.db2.gz VJGJCOYHXUILLY-CWRNSKLLSA-N 1 0 348.447 3.136 20 5 EGBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000078650828 217094463 /nfs/dbraw/zinc/09/44/63/217094463.db2.gz VCVXTEQELZURMB-LBPRGKRZSA-N 1 0 339.823 3.098 20 5 EGBDRO O=C(CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)N1CCc2ccccc21 ZINC000111409731 220153260 /nfs/dbraw/zinc/15/32/60/220153260.db2.gz PHBYBERAFXDFDC-UHFFFAOYSA-N 1 0 339.395 3.054 20 5 EGBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000081329971 217384296 /nfs/dbraw/zinc/38/42/96/217384296.db2.gz LDQDBHWSIYSLQR-LBPRGKRZSA-N 1 0 339.823 3.052 20 5 EGBDRO CO[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000266136083 248122507 /nfs/dbraw/zinc/12/25/07/248122507.db2.gz FLXKJJMNWPSEEE-OCCSQVGLSA-N 1 0 343.221 3.405 20 5 EGBDRO CCn1cnnc1C1CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000266563090 248361128 /nfs/dbraw/zinc/36/11/28/248361128.db2.gz YLBSWRVQOMAHTJ-ZDUSSCGKSA-N 1 0 329.404 3.147 20 5 EGBDRO C[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC12CCC2 ZINC000408091246 169159409 /nfs/dbraw/zinc/15/94/09/169159409.db2.gz UPXYHOWOHBKITG-ZDUSSCGKSA-N 1 0 332.400 3.473 20 5 EGBDRO O=C(CC[N@@H+]1CCc2cc(F)ccc2C1)Nc1ccccc1[N+](=O)[O-] ZINC000091890323 218083071 /nfs/dbraw/zinc/08/30/71/218083071.db2.gz ZWXRKZLLLLBBDL-UHFFFAOYSA-N 1 0 343.358 3.121 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000092230081 218127702 /nfs/dbraw/zinc/12/77/02/218127702.db2.gz SYLVGVBIDQNHIE-CABCVRRESA-N 1 0 333.432 3.123 20 5 EGBDRO COCCCOC1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000093561314 218231184 /nfs/dbraw/zinc/23/11/84/218231184.db2.gz AGGYAUSDEFMIJV-QPJJXVBHSA-N 1 0 334.416 3.126 20 5 EGBDRO COCC1(CC[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCC1 ZINC000340442542 284811836 /nfs/dbraw/zinc/81/18/36/284811836.db2.gz AYQGDBRNXAVMBH-CABCVRRESA-N 1 0 336.436 3.071 20 5 EGBDRO COc1ccc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)cc1[N+](=O)[O-] ZINC000268285147 251794320 /nfs/dbraw/zinc/79/43/20/251794320.db2.gz QMFCHQABOKEVQY-ZBFHGGJFSA-N 1 0 346.383 3.285 20 5 EGBDRO C[C@H](O)C[C@@H]1CCC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000153221904 224075265 /nfs/dbraw/zinc/07/52/65/224075265.db2.gz MWECNIAAPQCFFG-ZFWWWQNUSA-N 1 0 345.399 3.028 20 5 EGBDRO Cc1nc(N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)ccc1[N+](=O)[O-] ZINC000268503391 251974266 /nfs/dbraw/zinc/97/42/66/251974266.db2.gz QKDMBCRUPWMQMX-MRXNPFEDSA-N 1 0 332.448 3.247 20 5 EGBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC000153244510 224078700 /nfs/dbraw/zinc/07/87/00/224078700.db2.gz UIDZSPWBKOEEPF-IACUBPJLSA-N 1 0 328.372 3.438 20 5 EGBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@@H](CC(F)(F)F)c2ccccc2)n1 ZINC000341583001 285168485 /nfs/dbraw/zinc/16/84/85/285168485.db2.gz HHWLZVSDKWOZSU-LBPRGKRZSA-N 1 0 328.294 3.075 20 5 EGBDRO C[C@H]1CCCC[C@@H]1[N@H+](C)CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000117334877 221055556 /nfs/dbraw/zinc/05/55/56/221055556.db2.gz JMHGIVSOBNDFSJ-ZFWWWQNUSA-N 1 0 347.415 3.403 20 5 EGBDRO Cc1nc2c(s1)[C@H]([N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1)CCC2 ZINC000154536863 224268420 /nfs/dbraw/zinc/26/84/20/224268420.db2.gz QYSYWMRKZZADGF-CVEARBPZSA-N 1 0 347.440 3.403 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H]1CC[C@@H](C)C[C@H]1C ZINC000119550051 221345129 /nfs/dbraw/zinc/34/51/29/221345129.db2.gz PDZZJENHLZIDKG-GUIRCDHDSA-N 1 0 349.431 3.345 20 5 EGBDRO C[C@@H](NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000178137100 533266870 /nfs/dbraw/zinc/26/68/70/533266870.db2.gz OMQRAEMTYVWOGP-ZBFHGGJFSA-N 1 0 345.443 3.427 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCC[C@@H](C(=O)N(C)C)C1 ZINC000344818618 533384246 /nfs/dbraw/zinc/38/42/46/533384246.db2.gz FKMQERKHFXEUHR-QYRJGMMTSA-N 1 0 345.443 3.235 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](C)Cn1ccnc1C ZINC000344792446 533408408 /nfs/dbraw/zinc/40/84/08/533408408.db2.gz MSIMUQPFQXIPFF-HNRFISLBSA-N 1 0 328.416 3.429 20 5 EGBDRO COc1ccc([C@@H](C)[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000341214845 141138917 /nfs/dbraw/zinc/13/89/17/141138917.db2.gz UGRGCSXDYFHKNB-CYBMUJFWSA-N 1 0 343.383 3.283 20 5 EGBDRO O=C(NCc1ccccc1[N+](=O)[O-])c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000344472275 141160452 /nfs/dbraw/zinc/16/04/52/141160452.db2.gz ZNNDFBVSSUACBR-UHFFFAOYSA-N 1 0 348.362 3.085 20 5 EGBDRO Cc1cc(C(=O)CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)c(C)[nH]1 ZINC000348154566 141239853 /nfs/dbraw/zinc/23/98/53/141239853.db2.gz KAUFGHIMLDGEJG-UHFFFAOYSA-N 1 0 327.384 3.387 20 5 EGBDRO COc1cc(C[N@H+](C)CCOc2cccc([N+](=O)[O-])c2)cc(OC)c1 ZINC000353442669 141296199 /nfs/dbraw/zinc/29/61/99/141296199.db2.gz PUXPICKUXIXPCM-UHFFFAOYSA-N 1 0 346.383 3.123 20 5 EGBDRO C[C@@H]([NH2+]CCNC(=O)c1ccccc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000178643988 144073925 /nfs/dbraw/zinc/07/39/25/144073925.db2.gz LHLGODIBIXRDIU-GFCCVEGCSA-N 1 0 347.802 3.329 20 5 EGBDRO C[C@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)[C@H]1COc2ccccc21 ZINC000185615230 144116127 /nfs/dbraw/zinc/11/61/27/144116127.db2.gz GRRKGQONILQFHL-SUMWQHHRSA-N 1 0 328.368 3.128 20 5 EGBDRO C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H](c1ccccc1)[NH+](C)C ZINC000185939918 144122317 /nfs/dbraw/zinc/12/23/17/144122317.db2.gz QKUVTSZSLCSBCJ-SUMWQHHRSA-N 1 0 342.399 3.408 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC(O)(Cc3cccc(F)c3)CC2)cc1 ZINC000186589831 144138389 /nfs/dbraw/zinc/13/83/89/144138389.db2.gz RMHXSKHONLFQNU-UHFFFAOYSA-N 1 0 344.386 3.304 20 5 EGBDRO C[C@H]1C[C@@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC[N@@H+]1C ZINC000344633080 144202435 /nfs/dbraw/zinc/20/24/35/144202435.db2.gz QSBVAVYWRILRAS-ZFWWWQNUSA-N 1 0 329.400 3.427 20 5 EGBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000344650521 144205570 /nfs/dbraw/zinc/20/55/70/144205570.db2.gz XYZAZEYWDODTAF-AWEZNQCLSA-N 1 0 339.823 3.098 20 5 EGBDRO CCN(CCC[NH+](C)C)c1cc(C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000344793318 144225768 /nfs/dbraw/zinc/22/57/68/144225768.db2.gz WPMIXCMIWIYMAI-UHFFFAOYSA-N 1 0 343.431 3.138 20 5 EGBDRO CCOC(=O)CN(Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C1CC1 ZINC000351795899 144307700 /nfs/dbraw/zinc/30/77/00/144307700.db2.gz QSZJZDZCZPTTQO-UHFFFAOYSA-N 1 0 344.367 3.382 20 5 EGBDRO Cc1noc([C@H](C)[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])n1 ZINC000361600077 144335016 /nfs/dbraw/zinc/33/50/16/144335016.db2.gz BCTKAAPJAXAYGE-CORIIIEPSA-N 1 0 330.388 3.348 20 5 EGBDRO CC[C@@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccccc1 ZINC000341226921 155213437 /nfs/dbraw/zinc/21/34/37/155213437.db2.gz IBDHSGYIRCRQSX-MSOLQXFVSA-N 1 0 339.395 3.441 20 5 EGBDRO C[S@@](=O)CCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000116918295 152081579 /nfs/dbraw/zinc/08/15/79/152081579.db2.gz WARCRXFZRQXUOQ-QFIPXVFZSA-N 1 0 338.454 3.182 20 5 EGBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H](CC(F)(F)F)c2ccccc2)c1 ZINC000341574467 155362001 /nfs/dbraw/zinc/36/20/01/155362001.db2.gz PBSJMGKQQWPTRP-CYBMUJFWSA-N 1 0 328.294 3.075 20 5 EGBDRO CC1(C)CCC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000303891749 154059487 /nfs/dbraw/zinc/05/94/87/154059487.db2.gz KJSJGCNXORBDSR-MRXNPFEDSA-N 1 0 331.416 3.212 20 5 EGBDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2OC(F)F)cc1[N+](=O)[O-] ZINC000337305063 154272883 /nfs/dbraw/zinc/27/28/83/154272883.db2.gz QZRZINHFZTZOJG-DGCLKSJQSA-N 1 0 330.331 3.243 20 5 EGBDRO COc1cc(C[NH2+][C@H]2CCCC[C@@H]2OC(F)F)ccc1[N+](=O)[O-] ZINC000337398616 154333149 /nfs/dbraw/zinc/33/31/49/154333149.db2.gz JOUHYZMMBSYMSC-AAEUAGOBSA-N 1 0 330.331 3.243 20 5 EGBDRO COc1cccc(Cl)c1CN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000348925799 156289148 /nfs/dbraw/zinc/28/91/48/156289148.db2.gz YFWGZTBXUZWAQS-UHFFFAOYSA-N 1 0 335.791 3.222 20 5 EGBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC[C@H]2C2CCOCC2)cc1 ZINC000348949703 156297727 /nfs/dbraw/zinc/29/77/27/156297727.db2.gz OBLCNGNRXKNDNU-SFHVURJKSA-N 1 0 334.416 3.255 20 5 EGBDRO COc1ccc(CN(CC[NH+](C)C)Cc2ccc(C)o2)cc1[N+](=O)[O-] ZINC000349076867 156344522 /nfs/dbraw/zinc/34/45/22/156344522.db2.gz PSGOLZIYGAQPPS-UHFFFAOYSA-N 1 0 347.415 3.069 20 5 EGBDRO Cc1ccc(NC(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000362119218 157031345 /nfs/dbraw/zinc/03/13/45/157031345.db2.gz STGDBVGKQGOLNF-HNNXBMFYSA-N 1 0 346.431 3.099 20 5 EGBDRO CC[C@H]([NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-])C1CCOCC1 ZINC000362194503 157068634 /nfs/dbraw/zinc/06/86/34/157068634.db2.gz HMUSLHDCMXLFNH-AWEZNQCLSA-N 1 0 326.368 3.037 20 5 EGBDRO CC[C@@H]([NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-])C1CCOCC1 ZINC000362194504 157069052 /nfs/dbraw/zinc/06/90/52/157069052.db2.gz HMUSLHDCMXLFNH-CQSZACIVSA-N 1 0 326.368 3.037 20 5 EGBDRO COc1ccc(-c2ccc(CNCc3cc(C)no3)o2)c([N+](=O)[O-])c1 ZINC000105455376 162055857 /nfs/dbraw/zinc/05/58/57/162055857.db2.gz SXUIXHHYESLTOJ-UHFFFAOYSA-N 1 0 343.339 3.450 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCC(C)(C)C1 ZINC000112702071 162186266 /nfs/dbraw/zinc/18/62/66/162186266.db2.gz GHXOUVZTOMIADX-UHFFFAOYSA-N 1 0 335.404 3.054 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3ccc4ncccc4c3)C2)nc1 ZINC000128904576 162340047 /nfs/dbraw/zinc/34/00/47/162340047.db2.gz FPZUFTRUKHEEQL-INIZCTEOSA-N 1 0 349.394 3.224 20 5 EGBDRO COc1ccc(NC(=O)CC[NH2+][C@@H]2CC[C@@H](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000248538692 163011938 /nfs/dbraw/zinc/01/19/38/163011938.db2.gz AEMLEUVAELKFJZ-VNHYZAJKSA-N 1 0 349.431 3.346 20 5 EGBDRO C[C@@H]([NH2+]CC(C)(C)N1C[C@@H](C)O[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000249120959 163058193 /nfs/dbraw/zinc/05/81/93/163058193.db2.gz WHMSOCIPXVTNPH-QLFBSQMISA-N 1 0 335.448 3.133 20 5 EGBDRO C[C@@H]([NH2+]CC(C)(C)N1C[C@@H](C)O[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000249120963 163058208 /nfs/dbraw/zinc/05/82/08/163058208.db2.gz WHMSOCIPXVTNPH-RBSFLKMASA-N 1 0 335.448 3.133 20 5 EGBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CCc1ccc2c(c1)OCCO2 ZINC000338345618 163218227 /nfs/dbraw/zinc/21/82/27/163218227.db2.gz FTAQCWHSBWYZOP-UHFFFAOYSA-N 1 0 342.395 3.083 20 5 EGBDRO CC[N@H+](CCNc1cc(OC)ccc1[N+](=O)[O-])CCC(F)(F)F ZINC000338707751 163325285 /nfs/dbraw/zinc/32/52/85/163325285.db2.gz RXDVSECXCONGAU-UHFFFAOYSA-N 1 0 335.326 3.290 20 5 EGBDRO COc1ccc(-c2ccc(C[N@@H+]3CCC[C@@H](O)CC3)o2)c([N+](=O)[O-])c1 ZINC000354749409 166022749 /nfs/dbraw/zinc/02/27/49/166022749.db2.gz RPJXCZXIEIXODW-CYBMUJFWSA-N 1 0 346.383 3.210 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3C[C@@H]4CC[C@H](O)[C@@H]4C3)o2)c1 ZINC000346326405 164368596 /nfs/dbraw/zinc/36/85/96/164368596.db2.gz HTOCXJUSVQAZMU-XKQJLSEDSA-N 1 0 328.368 3.058 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3C[C@@H]4CC[C@H](O)[C@H]4C3)o2)c1 ZINC000346326403 164368849 /nfs/dbraw/zinc/36/88/49/164368849.db2.gz HTOCXJUSVQAZMU-JQFCIGGWSA-N 1 0 328.368 3.058 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2ccc(CN(C3CC3)[C@@H]3CC[NH2+]C3)o2)c1 ZINC000347153356 164452401 /nfs/dbraw/zinc/45/24/01/164452401.db2.gz CEALAGHTQFMFLO-MRXNPFEDSA-N 1 0 327.384 3.181 20 5 EGBDRO C[NH+](C)Cc1cccc(CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)c1 ZINC000351666271 165124125 /nfs/dbraw/zinc/12/41/25/165124125.db2.gz AUKWKBRYRWZNLP-UHFFFAOYSA-N 1 0 346.362 3.117 20 5 EGBDRO COc1ccccc1[C@H]1CC[C@@H](C)C[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000352256032 165312613 /nfs/dbraw/zinc/31/26/13/165312613.db2.gz FVDPZIQRIKKKKR-GDBMZVCRSA-N 1 0 344.415 3.273 20 5 EGBDRO C[C@@H](c1cccc(Cl)c1)[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090518154 287142462 /nfs/dbraw/zinc/14/24/62/287142462.db2.gz CBCXTIVTUCZBQO-LBPRGKRZSA-N 1 0 335.791 3.103 20 5 EGBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000360339931 167307298 /nfs/dbraw/zinc/30/72/98/167307298.db2.gz WJEUQBDIUYWNTJ-CVEARBPZSA-N 1 0 328.416 3.219 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1CN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000366637494 168126036 /nfs/dbraw/zinc/12/60/36/168126036.db2.gz QYNPIPZUWLBRGO-INIZCTEOSA-N 1 0 333.432 3.054 20 5 EGBDRO COCCC[NH+]1CCC(N[C@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000159133227 225155100 /nfs/dbraw/zinc/15/51/00/225155100.db2.gz YAIZFXVZVQCZBR-OAHLLOKOSA-N 1 0 335.448 3.055 20 5 EGBDRO Cc1c([C@@H](C)[NH2+]CC2(C(=O)N(C)C)CCCC2)cccc1[N+](=O)[O-] ZINC000165107234 226110730 /nfs/dbraw/zinc/11/07/30/226110730.db2.gz LEDUTSVDUPROJD-CQSZACIVSA-N 1 0 333.432 3.202 20 5 EGBDRO COc1cc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC ZINC000122141520 222022706 /nfs/dbraw/zinc/02/27/06/222022706.db2.gz OUUYVSNCISPVGP-LBPRGKRZSA-N 1 0 346.383 3.471 20 5 EGBDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000162897022 264913076 /nfs/dbraw/zinc/91/30/76/264913076.db2.gz DVSSCPDISRPNEO-CQSZACIVSA-N 1 0 334.420 3.084 20 5 EGBDRO CCCNC(=O)C1CC[NH+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000179920930 265392465 /nfs/dbraw/zinc/39/24/65/265392465.db2.gz RIIKSOHWFIQVKX-UHFFFAOYSA-N 1 0 347.459 3.456 20 5 EGBDRO COc1ccc([C@H](C)[N@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000269684135 266341557 /nfs/dbraw/zinc/34/15/57/266341557.db2.gz SBTITPCELZWKHU-UGSOOPFHSA-N 1 0 330.384 3.330 20 5 EGBDRO CC[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)c1ccccc1 ZINC000271725898 266713404 /nfs/dbraw/zinc/71/34/04/266713404.db2.gz XOLCAXQXLGZCEI-HNNXBMFYSA-N 1 0 343.383 3.283 20 5 EGBDRO CCC(C)(C)[NH2+][C@H](C)C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000273245969 267004311 /nfs/dbraw/zinc/00/43/11/267004311.db2.gz VDPCEVNMCHUUDM-LLVKDONJSA-N 1 0 341.839 3.373 20 5 EGBDRO O=[N+]([O-])c1cnc(NCc2cccc(C[NH+]3CCCCCC3)c2)nc1 ZINC000273577335 267061666 /nfs/dbraw/zinc/06/16/66/267061666.db2.gz FFSIIWHEZKADKT-UHFFFAOYSA-N 1 0 341.415 3.373 20 5 EGBDRO CCCN(CCC[NH+](C)C)C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000276457102 267550957 /nfs/dbraw/zinc/55/09/57/267550957.db2.gz XBSFGXGVICREDL-UHFFFAOYSA-N 1 0 327.812 3.052 20 5 EGBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](Cc3cccnc3)CC2)c(F)c1 ZINC000278495410 268026104 /nfs/dbraw/zinc/02/61/04/268026104.db2.gz HZAJYWKSKJRSSC-UHFFFAOYSA-N 1 0 330.363 3.205 20 5 EGBDRO COCC[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)CC(C)C ZINC000089886010 274025102 /nfs/dbraw/zinc/02/51/02/274025102.db2.gz MYBOGGADRTVIBN-UHFFFAOYSA-N 1 0 333.388 3.354 20 5 EGBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])cn2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000346677863 274364657 /nfs/dbraw/zinc/36/46/57/274364657.db2.gz WKZZQDQIJKNXQL-CABCVRRESA-N 1 0 326.400 3.089 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1ccc(-n3cncn3)cc1)CCC2 ZINC000192829632 275038495 /nfs/dbraw/zinc/03/84/95/275038495.db2.gz NREAQWJBOSIZON-LJQANCHMSA-N 1 0 349.394 3.343 20 5 EGBDRO O=[N+]([O-])c1cc(Br)ccc1N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000044680521 275132197 /nfs/dbraw/zinc/13/21/97/275132197.db2.gz IRAIHDQKPIJNHG-SNVBAGLBSA-N 1 0 326.194 3.006 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(Br)c1 ZINC000090794507 275153574 /nfs/dbraw/zinc/15/35/74/275153574.db2.gz ORFBERCSZLLPDD-WDEREUQCSA-N 1 0 340.221 3.396 20 5 EGBDRO C[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(O)c1 ZINC000181569592 275208054 /nfs/dbraw/zinc/20/80/54/275208054.db2.gz BXUIHWGXPJIMRR-SNVBAGLBSA-N 1 0 349.774 3.243 20 5 EGBDRO Cc1cc(NCc2nnc(C3CC3)o2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000278687948 275265763 /nfs/dbraw/zinc/26/57/63/275265763.db2.gz HFAUCXUMIXLXLM-UHFFFAOYSA-N 1 0 325.328 3.324 20 5 EGBDRO O=[N+]([O-])c1cc(F)ccc1NC1CC[NH+](Cc2cccnc2)CC1 ZINC000278746925 275271136 /nfs/dbraw/zinc/27/11/36/275271136.db2.gz RMOTZZUGJCCRIW-UHFFFAOYSA-N 1 0 330.363 3.205 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCSCC[C@@H]1C ZINC000279367987 275325886 /nfs/dbraw/zinc/32/58/86/275325886.db2.gz WWDZZRYRIOKWPI-ZDUSSCGKSA-N 1 0 337.445 3.059 20 5 EGBDRO COc1ccc(C[NH2+][C@H](C)[C@H](OC)c2ccccc2)cc1[N+](=O)[O-] ZINC000279773619 275358402 /nfs/dbraw/zinc/35/84/02/275358402.db2.gz SPKSEWHQKGXIPI-ACJLOTCBSA-N 1 0 330.384 3.469 20 5 EGBDRO CCC(=O)c1ccc(N2CCC[C@H]2C[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000281426612 275548559 /nfs/dbraw/zinc/54/85/59/275548559.db2.gz JCDDNPNXURYENH-HNNXBMFYSA-N 1 0 331.416 3.252 20 5 EGBDRO CC(C)[NH+]1CCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000338894853 275636711 /nfs/dbraw/zinc/63/67/11/275636711.db2.gz JRGOWEBUYRMMGI-UHFFFAOYSA-N 1 0 331.338 3.140 20 5 EGBDRO C[C@H]([NH2+]C[C@H](c1ccccc1)N(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283690495 275744901 /nfs/dbraw/zinc/74/49/01/275744901.db2.gz AEWAHQZWPBJEEY-SCLBCKFNSA-N 1 0 328.416 3.131 20 5 EGBDRO C[C@H]([NH2+]C[C@H](c1cccs1)N(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283867193 275757436 /nfs/dbraw/zinc/75/74/36/275757436.db2.gz BTKOYOGDVVWAAR-XHDPSFHLSA-N 1 0 334.445 3.192 20 5 EGBDRO C[C@H]([NH2+]Cc1ccc(N2CCCC2)nc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284144629 275777478 /nfs/dbraw/zinc/77/74/78/275777478.db2.gz OXURXPYZZQIQBB-ZDUSSCGKSA-N 1 0 341.415 3.023 20 5 EGBDRO CC(=O)Nc1ccc(CC[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000284277267 275787727 /nfs/dbraw/zinc/78/77/27/275787727.db2.gz XEHHFQJMQYPGBK-LBPRGKRZSA-N 1 0 342.399 3.029 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000288937140 276269188 /nfs/dbraw/zinc/26/91/88/276269188.db2.gz WLOSMSSQXSMRQW-IBGZPJMESA-N 1 0 344.386 3.161 20 5 EGBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC=C(c2cccnc2)C1 ZINC000289282488 276315957 /nfs/dbraw/zinc/31/59/57/276315957.db2.gz GJCOAZVSLYRDEI-UHFFFAOYSA-N 1 0 325.368 3.158 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC[C@@H](O)c1ccccc1 ZINC000289434955 276338752 /nfs/dbraw/zinc/33/87/52/276338752.db2.gz LFUAYUVMJHMRJG-QGZVFWFLSA-N 1 0 330.384 3.207 20 5 EGBDRO CCNC(=O)C(C)(C)C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290941475 276563717 /nfs/dbraw/zinc/56/37/17/276563717.db2.gz UBPXNZCDGRLECS-UHFFFAOYSA-N 1 0 348.230 3.154 20 5 EGBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@H]1OCCc2sccc21 ZINC000292282640 276762152 /nfs/dbraw/zinc/76/21/52/276762152.db2.gz BWORFWSHODJLFO-YVEFUNNKSA-N 1 0 332.425 3.491 20 5 EGBDRO CN(C)[C@H](C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccco1 ZINC000192598484 276866430 /nfs/dbraw/zinc/86/64/30/276866430.db2.gz LXBHLIPRZZDOJU-DLBZAZTESA-N 1 0 329.400 3.458 20 5 EGBDRO CC[C@H]([NH2+][C@@H]1CCC[C@H](C(=O)N(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000268949380 288068116 /nfs/dbraw/zinc/06/81/16/288068116.db2.gz VCIJTOWUUZZYHN-UXLLHSPISA-N 1 0 333.432 3.283 20 5 EGBDRO CC[NH+](CC)[C@H](CNC(=O)c1c(C)cccc1[N+](=O)[O-])c1ccco1 ZINC000194494549 279164692 /nfs/dbraw/zinc/16/46/92/279164692.db2.gz SDMNYFXYCZZABB-OAHLLOKOSA-N 1 0 345.399 3.309 20 5 EGBDRO Cc1cc(N2CC[N@H+](Cc3ccccc3)[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000413539076 309036435 /nfs/dbraw/zinc/03/64/35/309036435.db2.gz YNHWIMZLKKJCFG-OAHLLOKOSA-N 1 0 326.400 3.009 20 5 EGBDRO C[C@H](C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000413594266 309038776 /nfs/dbraw/zinc/03/87/76/309038776.db2.gz XJSHBZAGLNNTHK-HZSPNIEDSA-N 1 0 333.432 3.207 20 5 EGBDRO C[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C(C1CC1)C1CC1 ZINC000050989346 307329787 /nfs/dbraw/zinc/32/97/87/307329787.db2.gz WSDKYXQYWBTKMX-UHFFFAOYSA-N 1 0 337.807 3.307 20 5 EGBDRO CCOc1ccc(NC(=O)C[N@H+](C)C(C2CC2)C2CC2)c([N+](=O)[O-])c1 ZINC000050989344 307329854 /nfs/dbraw/zinc/32/98/54/307329854.db2.gz HPQYSXCFHLXMDP-UHFFFAOYSA-N 1 0 347.415 3.052 20 5 EGBDRO CC(C)C[NH+]1CCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000055085200 307339590 /nfs/dbraw/zinc/33/95/90/307339590.db2.gz KNIWZJNSRQNRTQ-UHFFFAOYSA-N 1 0 342.237 3.135 20 5 EGBDRO CC(C)([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])C(=O)NCC1CCCC1 ZINC000255486263 308051418 /nfs/dbraw/zinc/05/14/18/308051418.db2.gz NNDMWBYXVDTBJB-XFFZJAGNSA-N 1 0 345.443 3.283 20 5 EGBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[NH2+][C@H](CO)C2CCCC2)c1 ZINC000293469954 308133441 /nfs/dbraw/zinc/13/34/41/308133441.db2.gz DWMFRXQYMUXIEN-CQSZACIVSA-N 1 0 332.322 3.254 20 5 EGBDRO COCC1(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCOCC1 ZINC000293782654 308161488 /nfs/dbraw/zinc/16/14/88/308161488.db2.gz TZEFCDCDMGEHRC-QGZVFWFLSA-N 1 0 334.416 3.005 20 5 EGBDRO CC(C)(C(=O)NCCCCC[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000293876936 308170066 /nfs/dbraw/zinc/17/00/66/308170066.db2.gz IFXYLYUXICVWCS-UHFFFAOYSA-N 1 0 347.459 3.255 20 5 EGBDRO CSc1ccc([C@H](CNc2ncc([N+](=O)[O-])s2)[NH+](C)C)cc1 ZINC000293969581 308178889 /nfs/dbraw/zinc/17/88/89/308178889.db2.gz HRALOHLWPJVGNY-LBPRGKRZSA-N 1 0 338.458 3.488 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000294082072 308188558 /nfs/dbraw/zinc/18/85/58/308188558.db2.gz JSZSGFUEZMCIOS-IBGZPJMESA-N 1 0 345.443 3.078 20 5 EGBDRO COc1ccncc1C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000294095469 308189773 /nfs/dbraw/zinc/18/97/73/308189773.db2.gz JCGWSGRAAZLMDT-INIZCTEOSA-N 1 0 327.384 3.109 20 5 EGBDRO CC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)[C@H](O)C(C)C ZINC000414527006 309086483 /nfs/dbraw/zinc/08/64/83/309086483.db2.gz MCNUKBFDXYGVAB-GXTWGEPZSA-N 1 0 332.347 3.081 20 5 EGBDRO Cc1cc(Cl)c(C(=O)NC[C@H](C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000294898513 308269375 /nfs/dbraw/zinc/26/93/75/308269375.db2.gz RKHXYFPTNVLHJU-NSHDSACASA-N 1 0 339.823 3.018 20 5 EGBDRO Cc1nccnc1CC[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000295002991 308280476 /nfs/dbraw/zinc/28/04/76/308280476.db2.gz MCOFCOLSLUQGSG-QAPCUYQASA-N 1 0 340.427 3.237 20 5 EGBDRO [NH3+]C1(c2noc(-c3cc(C(F)(F)F)ccc3[N+](=O)[O-])n2)CCCC1 ZINC000414626089 309092378 /nfs/dbraw/zinc/09/23/78/309092378.db2.gz JPDATEUGUFUUMO-UHFFFAOYSA-N 1 0 342.277 3.392 20 5 EGBDRO COc1cc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc(OC)c1O ZINC000296112553 308394883 /nfs/dbraw/zinc/39/48/83/308394883.db2.gz SMQZAVUWZDVLBC-NSHDSACASA-N 1 0 332.356 3.168 20 5 EGBDRO O=[N+]([O-])c1cc(F)c(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)c(F)c1 ZINC000296138033 308397391 /nfs/dbraw/zinc/39/73/91/308397391.db2.gz XBJTYSSJZIHDSQ-LYRGGWFBSA-N 1 0 338.354 3.310 20 5 EGBDRO CCCCCC(=O)NC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000299564566 308679473 /nfs/dbraw/zinc/67/94/73/308679473.db2.gz OIVWYNUDDMGZNC-UHFFFAOYSA-N 1 0 333.432 3.256 20 5 EGBDRO CC(C)(C)OC(=O)NCC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000299652253 308683237 /nfs/dbraw/zinc/68/32/37/308683237.db2.gz SVOUWXYLSSIBEC-UHFFFAOYSA-N 1 0 349.431 3.332 20 5 EGBDRO CC[NH+](CC)[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000301461179 308701177 /nfs/dbraw/zinc/70/11/77/308701177.db2.gz JCCVYCDWHXYNOR-GFCCVEGCSA-N 1 0 342.237 3.278 20 5 EGBDRO Cc1cc(NCCOC[C@H]2CCCO2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302204496 308733309 /nfs/dbraw/zinc/73/33/09/308733309.db2.gz WKAHAQKWOFSSBS-CQSZACIVSA-N 1 0 331.372 3.059 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(CNC[C@@H]3CCC[NH2+]3)o2)c(Cl)c1 ZINC000414841803 309105082 /nfs/dbraw/zinc/10/50/82/309105082.db2.gz HZLAZFINFUNAAF-NSHDSACASA-N 1 0 335.791 3.350 20 5 EGBDRO CN(CC[NH+]1CCCC1)C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000330515780 308795984 /nfs/dbraw/zinc/79/59/84/308795984.db2.gz FCEWULHZAWSKKO-UHFFFAOYSA-N 1 0 333.432 3.060 20 5 EGBDRO CC[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C(C)(C)C ZINC000411485344 308940965 /nfs/dbraw/zinc/94/09/65/308940965.db2.gz GDDYMBJRZNGOHB-HNNXBMFYSA-N 1 0 337.420 3.346 20 5 EGBDRO CO[C@@](C)([C@H](C)[NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000411967269 308959751 /nfs/dbraw/zinc/95/97/51/308959751.db2.gz HXAFHWFOWMYCPI-UGSOOPFHSA-N 1 0 349.431 3.025 20 5 EGBDRO COC1([C@@H](C)[NH2+]Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CCC1 ZINC000412019848 308962859 /nfs/dbraw/zinc/96/28/59/308962859.db2.gz GNGUZOYOOLDQQZ-GFCCVEGCSA-N 1 0 331.372 3.297 20 5 EGBDRO CC[C@H](CNc1ncc([N+](=O)[O-])cc1C(F)(F)F)[NH+]1CCCC1 ZINC000413056886 309013786 /nfs/dbraw/zinc/01/37/86/309013786.db2.gz WDFGRDMSUQIKMC-SNVBAGLBSA-N 1 0 332.326 3.295 20 5 EGBDRO O=[N+]([O-])c1cnc(NC2CC[NH+](Cc3ccc(F)cc3)CC2)c(F)c1 ZINC000413075331 309014896 /nfs/dbraw/zinc/01/48/96/309014896.db2.gz SVZUTYROOXKWOF-UHFFFAOYSA-N 1 0 348.353 3.345 20 5 EGBDRO CC[NH+](CC)C[C@H]1CCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000413166051 309019197 /nfs/dbraw/zinc/01/91/97/309019197.db2.gz IBYPNSYJCUXBRL-LLVKDONJSA-N 1 0 346.353 3.177 20 5 EGBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1c1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413278133 309024712 /nfs/dbraw/zinc/02/47/12/309024712.db2.gz FYSOKSTUEVRQNG-CMPLNLGQSA-N 1 0 344.337 3.072 20 5 EGBDRO C[C@H]1CN(c2nccc3ccc([N+](=O)[O-])cc32)CC[N@@H+](C2CCC2)C1 ZINC000413299707 309025774 /nfs/dbraw/zinc/02/57/74/309025774.db2.gz IIHWMXGKRKKHOU-CQSZACIVSA-N 1 0 340.427 3.454 20 5 EGBDRO [NH3+][C@@H]1CCC[C@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000414928598 309109875 /nfs/dbraw/zinc/10/98/75/309109875.db2.gz QIKRQFUREOXYJB-OLZOCXBDSA-N 1 0 332.429 3.078 20 5 EGBDRO [NH3+]C[C@@H](NCc1ccc(-c2ccccc2[N+](=O)[O-])o1)C1CCCC1 ZINC000415064771 309117979 /nfs/dbraw/zinc/11/79/79/309117979.db2.gz LPYWHHDLCRXIMC-MRXNPFEDSA-N 1 0 329.400 3.462 20 5 EGBDRO CN(CC[NH3+])Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000415109641 309120964 /nfs/dbraw/zinc/12/09/64/309120964.db2.gz NSPIGGYTHXLROX-UHFFFAOYSA-N 1 0 335.791 3.431 20 5 EGBDRO [NH3+][C@H]1CCC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000415434336 309133357 /nfs/dbraw/zinc/13/33/57/309133357.db2.gz HPCYRJQHDIOGJX-DTWKUNHWSA-N 1 0 346.309 3.005 20 5 EGBDRO CCc1ccccc1[C@H]([NH3+])CNC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000415508141 309135575 /nfs/dbraw/zinc/13/55/75/309135575.db2.gz UOPMTOYOFOVWSM-MRXNPFEDSA-N 1 0 342.399 3.287 20 5 EGBDRO CCCN(C(=O)Nc1cc([N+](=O)[O-])ccc1CC)C1CC[NH2+]CC1 ZINC000415757743 309143170 /nfs/dbraw/zinc/14/31/70/309143170.db2.gz GQLJGOMAKLAFRW-UHFFFAOYSA-N 1 0 334.420 3.153 20 5 EGBDRO CC[NH2+]Cc1cccc(NC(=O)NCCc2cccc([N+](=O)[O-])c2)c1 ZINC000415908321 309147660 /nfs/dbraw/zinc/14/76/60/309147660.db2.gz CXBWUXJJSYWSOI-UHFFFAOYSA-N 1 0 342.399 3.069 20 5 EGBDRO C[C@](O)(C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21)C(F)(F)F ZINC000417313416 309201263 /nfs/dbraw/zinc/20/12/63/309201263.db2.gz VYAQVDBJVPIKPU-KBPBESRZSA-N 1 0 332.322 3.265 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCc3n[nH]cc3C1)CCCC2 ZINC000417314046 309201373 /nfs/dbraw/zinc/20/13/73/309201373.db2.gz XXJJVNLUKMJLCW-RDTXWAMCSA-N 1 0 326.400 3.233 20 5 EGBDRO CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417318904 309201464 /nfs/dbraw/zinc/20/14/64/309201464.db2.gz ZQXNPBPZHIUACP-HKUYNNGSSA-N 1 0 349.475 3.309 20 5 EGBDRO C[NH2+]CC1CCN(c2cc(C)c([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000420197286 309276950 /nfs/dbraw/zinc/27/69/50/309276950.db2.gz VHAVYDCAEYYQMM-UHFFFAOYSA-N 1 0 331.338 3.358 20 5 EGBDRO CC(=O)N[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000421385855 309321975 /nfs/dbraw/zinc/32/19/75/309321975.db2.gz GSKHNBUEIDTFOD-ZDUSSCGKSA-N 1 0 345.424 3.034 20 5 EGBDRO CSC1(CNc2ccnc3c2cccc3[N+](=O)[O-])CC[NH+](C)CC1 ZINC000432179438 309654232 /nfs/dbraw/zinc/65/42/32/309654232.db2.gz XUCNPAOSVSMEEU-UHFFFAOYSA-N 1 0 346.456 3.382 20 5 EGBDRO CN(C)[C@@]1(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CCSC1 ZINC000433307154 309685407 /nfs/dbraw/zinc/68/54/07/309685407.db2.gz UQXCSMIQBRVZDB-SJLPKXTDSA-N 1 0 349.500 3.344 20 5 EGBDRO CC[NH+](CC)CCSc1ncc([N+](=O)[O-])cc1Br ZINC000433767927 309695834 /nfs/dbraw/zinc/69/58/34/309695834.db2.gz ZFXIHRXEUNJHNQ-UHFFFAOYSA-N 1 0 334.239 3.186 20 5 EGBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCCOC2CCCC2)n1 ZINC000447529877 309981033 /nfs/dbraw/zinc/98/10/33/309981033.db2.gz LIVPSSIDGAMJDD-CVEARBPZSA-N 1 0 336.436 3.214 20 5 EGBDRO CCOc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000447545450 309981702 /nfs/dbraw/zinc/98/17/02/309981702.db2.gz YKEQBWYQAPXBHM-SJORKVTESA-N 1 0 344.415 3.464 20 5 EGBDRO Cc1cccc(CC[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000449026397 310030346 /nfs/dbraw/zinc/03/03/46/310030346.db2.gz FQNMRLHHIQJHDS-INIZCTEOSA-N 1 0 326.400 3.027 20 5 EGBDRO COC1CCN(C(C)(C)C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000449151638 310040718 /nfs/dbraw/zinc/04/07/18/310040718.db2.gz AZNZMEZGMIYUDP-HNNXBMFYSA-N 1 0 349.475 3.005 20 5 EGBDRO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449175942 310042304 /nfs/dbraw/zinc/04/23/04/310042304.db2.gz PKQJEWQFFNQYMU-QWHCGFSZSA-N 1 0 330.432 3.097 20 5 EGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](c1ccccc1)N(C)C ZINC000449254230 310047716 /nfs/dbraw/zinc/04/77/16/310047716.db2.gz WUUPJXVSVIJITR-KXBFYZLASA-N 1 0 327.428 3.418 20 5 EGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccnc(N2CCCC2)c1 ZINC000449328436 310053989 /nfs/dbraw/zinc/05/39/89/310053989.db2.gz JJTOUCXYPYVNCZ-OAHLLOKOSA-N 1 0 340.427 3.311 20 5 EGBDRO COC(=O)c1coc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000449500844 310067198 /nfs/dbraw/zinc/06/71/98/310067198.db2.gz OFGJVVUSLTXCDC-CQSZACIVSA-N 1 0 344.367 3.354 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCO[C@@H](c3ccncc3)C2)c(F)c1 ZINC000449535295 310069769 /nfs/dbraw/zinc/06/97/69/310069769.db2.gz HJMPZVZLARWZIU-RHSMWYFYSA-N 1 0 331.347 3.139 20 5 EGBDRO C[C@H](Cc1cnn(C)c1)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000449582315 310073658 /nfs/dbraw/zinc/07/36/58/310073658.db2.gz FQMVMFKXYHLJHJ-CYBMUJFWSA-N 1 0 340.383 3.309 20 5 EGBDRO COC(=O)[C@H]1C[N@H+](Cc2csc([N+](=O)[O-])c2)C[C@H]1c1ccccc1 ZINC000449754490 310084673 /nfs/dbraw/zinc/08/46/73/310084673.db2.gz LRODHCUQSBFQKU-GJZGRUSLSA-N 1 0 346.408 3.045 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3CC[C@H](CCCO)C3)o2)c1 ZINC000449789970 310087470 /nfs/dbraw/zinc/08/74/70/310087470.db2.gz JCCKJULQVGZTLZ-AWEZNQCLSA-N 1 0 330.384 3.449 20 5 EGBDRO O=[N+]([O-])c1cccc2c1ccnc2N1CC[NH+](Cc2ccccc2)CC1 ZINC000450208200 310108679 /nfs/dbraw/zinc/10/86/79/310108679.db2.gz KTVGUWFASHJTHU-UHFFFAOYSA-N 1 0 348.406 3.465 20 5 EGBDRO Cc1nc(N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)ncc1[N+](=O)[O-] ZINC000450388354 310119542 /nfs/dbraw/zinc/11/95/42/310119542.db2.gz KLRWXGIXLVDDES-CQSZACIVSA-N 1 0 347.463 3.174 20 5 EGBDRO CC(C)N(C(=O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000451102010 310160720 /nfs/dbraw/zinc/16/07/20/310160720.db2.gz BDSDQYVKSRJDDP-AWEZNQCLSA-N 1 0 333.432 3.425 20 5 EGBDRO C[C@H]([NH2+]Cc1cnn(C)c1C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000451108587 310161031 /nfs/dbraw/zinc/16/10/31/310161031.db2.gz XAEIYKRGCIHTBN-VIFPVBQESA-N 1 0 328.294 3.198 20 5 EGBDRO COC(=O)c1cccc(OCC[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000451109701 310161063 /nfs/dbraw/zinc/16/10/63/310161063.db2.gz YJUDMILWDXFBEM-ZDUSSCGKSA-N 1 0 344.367 3.111 20 5 EGBDRO COc1cc(C[NH2+][C@H]2C[C@](C)(OC)C2(C)C)c([N+](=O)[O-])cc1F ZINC000451498553 310181303 /nfs/dbraw/zinc/18/13/03/310181303.db2.gz WMXQJKQHMNCDMM-HOCLYGCPSA-N 1 0 326.368 3.036 20 5 EGBDRO C[C@H]1CCCN1C(=O)CC[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451546353 310184700 /nfs/dbraw/zinc/18/47/00/310184700.db2.gz IZGSWMKYNQQZIX-RDJZCZTQSA-N 1 0 345.443 3.175 20 5 EGBDRO CC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451546420 310184747 /nfs/dbraw/zinc/18/47/47/310184747.db2.gz JGZGZMFHPOQFFH-DZKIICNBSA-N 1 0 333.432 3.077 20 5 EGBDRO Cc1cc(F)ccc1[C@@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000451991797 310206852 /nfs/dbraw/zinc/20/68/52/310206852.db2.gz NKMRQFMXMPMXGC-KRWDZBQOSA-N 1 0 345.374 3.041 20 5 EGBDRO CC1CC[NH+](CC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000452836036 310244559 /nfs/dbraw/zinc/24/45/59/310244559.db2.gz CSZDXCGNJKNHJE-QGZVFWFLSA-N 1 0 345.443 3.033 20 5 EGBDRO Cc1c([C@H](C)[NH2+]C[C@@H](O)Cc2cccc(F)c2)cccc1[N+](=O)[O-] ZINC000453228603 310265443 /nfs/dbraw/zinc/26/54/43/310265443.db2.gz CAVXMPKSKSHLPE-BBRMVZONSA-N 1 0 332.375 3.297 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H]([NH2+][C@H]2CC[C@@H](CO)C2)c2ccccc2)c1 ZINC000453276382 310268566 /nfs/dbraw/zinc/26/85/66/310268566.db2.gz YYBNQCLIKKJUPF-DKSSEZFCSA-N 1 0 326.396 3.435 20 5 EGBDRO C[C@H](Cc1cnn(C)c1)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000453342431 310271997 /nfs/dbraw/zinc/27/19/97/310271997.db2.gz LXMWMBLAUBVXKE-SJKOYZFVSA-N 1 0 328.416 3.272 20 5 EGBDRO CCn1ccnc1[C@H](C)[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000453353279 310272506 /nfs/dbraw/zinc/27/25/06/310272506.db2.gz NQCZKFTZSULMJE-BBRMVZONSA-N 1 0 328.416 3.483 20 5 EGBDRO Cc1ccc(C[C@H](CO)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)cc1C ZINC000453636781 310286043 /nfs/dbraw/zinc/28/60/43/310286043.db2.gz UJODTBUTMRAGDE-GOSISDBHSA-N 1 0 328.412 3.213 20 5 EGBDRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000458670800 310515097 /nfs/dbraw/zinc/51/50/97/310515097.db2.gz XKHZTVAVFKYUOL-GJZGRUSLSA-N 1 0 348.447 3.220 20 5 EGBDRO COc1ccc(NC(=O)C[NH2+][C@@]2(C)CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000459623890 310564923 /nfs/dbraw/zinc/56/49/23/310564923.db2.gz ZPVZPWVZUQZEED-SJCJKPOMSA-N 1 0 335.404 3.100 20 5 EGBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(c2ccc([N+](=O)[O-])c3cccnc32)C[C@@H](C)C1 ZINC000488739805 311077501 /nfs/dbraw/zinc/07/75/01/311077501.db2.gz XAFGKCHKQJEVSR-HBUWYVDXSA-N 1 0 340.427 3.310 20 5 EGBDRO CC(C)[N@H+](C)CC1CCN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000491319306 311173136 /nfs/dbraw/zinc/17/31/36/311173136.db2.gz IVZWCZLLALVHKR-FPLPWBNLSA-N 1 0 345.443 3.187 20 5 EGBDRO CCOc1cc(CN(C)Cc2ccc3c(c2)OCO3)ccc1[N+](=O)[O-] ZINC000492483871 311256265 /nfs/dbraw/zinc/25/62/65/311256265.db2.gz LDJQEDRWKSSLDH-UHFFFAOYSA-N 1 0 344.367 3.354 20 5 EGBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000493211664 311343731 /nfs/dbraw/zinc/34/37/31/311343731.db2.gz QUOXIIDNOUCBKS-AWEZNQCLSA-N 1 0 337.851 3.412 20 5 EGBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCc1ccccc1 ZINC000499963121 311915974 /nfs/dbraw/zinc/91/59/74/311915974.db2.gz MIUULPHJLAINQS-AWEZNQCLSA-N 1 0 327.384 3.144 20 5 EGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCc2c[nH]nc2C1 ZINC000504920012 312012499 /nfs/dbraw/zinc/01/24/99/312012499.db2.gz MIUWNYNYNIAHNQ-ZIAGYGMSSA-N 1 0 346.456 3.336 20 5 EGBDRO CCOc1ccc([C@H](C)[NH2+]CCN2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000504925455 312012560 /nfs/dbraw/zinc/01/25/60/312012560.db2.gz BYYDPQWLXWPWCL-HNNXBMFYSA-N 1 0 335.448 3.376 20 5 EGBDRO Cc1cc(C(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000507451115 312072690 /nfs/dbraw/zinc/07/26/90/312072690.db2.gz ORJVDTKWENFFFV-OKILXGFUSA-N 1 0 347.459 3.390 20 5 EGBDRO Cc1cc(C(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000509438307 312116831 /nfs/dbraw/zinc/11/68/31/312116831.db2.gz BJWAENSXAMBEMC-GOSISDBHSA-N 1 0 347.459 3.390 20 5 EGBDRO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000511522462 312162492 /nfs/dbraw/zinc/16/24/92/312162492.db2.gz LTOAMUVJYZKXTC-WBVHZDCISA-N 1 0 347.459 3.420 20 5 EGBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)Nc1cc([N+](=O)[O-])ccc1CC ZINC000516690628 312337656 /nfs/dbraw/zinc/33/76/56/312337656.db2.gz YGRNDRSFEKNGTN-ZDUSSCGKSA-N 1 0 336.436 3.399 20 5 EGBDRO C[N@H+](CCNc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-])C1CC1 ZINC000516769643 312340693 /nfs/dbraw/zinc/34/06/93/312340693.db2.gz IUJMQFOOUYDBPG-UHFFFAOYSA-N 1 0 339.395 3.332 20 5 EGBDRO O=[N+]([O-])c1ccn(C2CC[NH+](CCOC3CCCCCC3)CC2)n1 ZINC000517469414 312380247 /nfs/dbraw/zinc/38/02/47/312380247.db2.gz LEXBZQCPBLPZLB-UHFFFAOYSA-N 1 0 336.436 3.168 20 5 EGBDRO COCCOc1ccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)cn1 ZINC000531683274 313700212 /nfs/dbraw/zinc/70/02/12/313700212.db2.gz CNYGEBLHKKIHDP-CQSZACIVSA-N 1 0 345.399 3.174 20 5 EGBDRO CC[C@H]([NH2+][C@H]1CCCC[C@H]1N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000532549700 313813961 /nfs/dbraw/zinc/81/39/61/313813961.db2.gz MXLDYUOKBZHWHH-GBESFXJTSA-N 1 0 347.459 3.279 20 5 EGBDRO Cc1cc(C)c(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1C ZINC000534336831 313974309 /nfs/dbraw/zinc/97/43/09/313974309.db2.gz HUGWQNWHSVRCMX-UHFFFAOYSA-N 1 0 340.427 3.237 20 5 EGBDRO Cc1c(CN2CC[N@@H+](C)C[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000535653100 314058236 /nfs/dbraw/zinc/05/82/36/314058236.db2.gz LOQNDPWJKRCADC-IBGZPJMESA-N 1 0 325.412 3.392 20 5 EGBDRO COC(=O)[C@H]1CCCC[C@@]1(C)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000538380774 314242963 /nfs/dbraw/zinc/24/29/63/314242963.db2.gz PYHQDMBDGKQELJ-CZUORRHYSA-N 1 0 340.807 3.460 20 5 EGBDRO Cc1cc(NCc2ccc3c(c2)CCO3)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000542103416 314517169 /nfs/dbraw/zinc/51/71/69/314517169.db2.gz XJGCHLCKJZDLLH-UHFFFAOYSA-N 1 0 335.363 3.420 20 5 EGBDRO CCC[C@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000548488591 315016559 /nfs/dbraw/zinc/01/65/59/315016559.db2.gz RJJXMDDEVZRTLE-WMLDXEAASA-N 1 0 345.443 3.432 20 5 EGBDRO CCOC(=O)[C@@H](C)[C@@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000549934141 315111622 /nfs/dbraw/zinc/11/16/22/315111622.db2.gz XYOLQQFJRFGUDD-VHSXEESVSA-N 1 0 348.321 3.291 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+][C@H]1COc2ccccc2C1 ZINC000550785705 315134468 /nfs/dbraw/zinc/13/44/68/315134468.db2.gz VKHPZPRAZTZTNV-OAHLLOKOSA-N 1 0 332.787 3.384 20 5 EGBDRO CC[C@H](C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000551888088 315174935 /nfs/dbraw/zinc/17/49/35/315174935.db2.gz IVBNMAMRLAXCSG-QAPCUYQASA-N 1 0 344.411 3.118 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CC2(CCOCC2)[C@@H]1C1CC1 ZINC000552392493 315217554 /nfs/dbraw/zinc/21/75/54/315217554.db2.gz SIKSAWKOJQRIIA-AJNOYIKESA-N 1 0 328.412 3.499 20 5 EGBDRO CCN(CCC[NH+]1CCCC1)C(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000563743726 316064323 /nfs/dbraw/zinc/06/43/23/316064323.db2.gz HQKLYHAPQCLROH-OAHLLOKOSA-N 1 0 333.432 3.033 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CN(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000564313562 316134603 /nfs/dbraw/zinc/13/46/03/316134603.db2.gz YPZYZVXGJKYFNL-BAILOTOSSA-N 1 0 347.459 3.041 20 5 EGBDRO CSCC[C@@H](C)[N@H+](C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000126482139 454897398 /nfs/dbraw/zinc/89/73/98/454897398.db2.gz BXWZPYXLDWDUJX-GFCCVEGCSA-N 1 0 339.461 3.305 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]C[C@@H](CO)C2CC2)c2ccccc2)c1 ZINC000569534606 316927022 /nfs/dbraw/zinc/92/70/22/316927022.db2.gz LUIVUWFGCYIXRO-PKOBYXMFSA-N 1 0 326.396 3.292 20 5 EGBDRO CCC[N@H+](CC)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000570762714 317102825 /nfs/dbraw/zinc/10/28/25/317102825.db2.gz KEVOBANOJZBFDO-UHFFFAOYSA-N 1 0 348.184 3.431 20 5 EGBDRO O=C1CCN1c1cccc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000571104766 317151494 /nfs/dbraw/zinc/15/14/94/317151494.db2.gz ZGIBLRVZFKPONZ-KRWDZBQOSA-N 1 0 337.379 3.109 20 5 EGBDRO C[C@@H]1C[C@@H](N[C@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)CC[N@@H+]1C ZINC000571171710 317161388 /nfs/dbraw/zinc/16/13/88/317161388.db2.gz URKNIHABDDWZDL-SCDSUCTJSA-N 1 0 331.338 3.271 20 5 EGBDRO COC(=O)c1cccc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000572702686 317377550 /nfs/dbraw/zinc/37/75/50/317377550.db2.gz UHOMOTNTVBYFTO-UHFFFAOYSA-N 1 0 328.368 3.056 20 5 EGBDRO C[C@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CCCCC1 ZINC000182694158 323570259 /nfs/dbraw/zinc/57/02/59/323570259.db2.gz HXEDRCKTVIXRSP-ZDUSSCGKSA-N 1 0 331.416 3.042 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H]1CCCC[C@@H]1C ZINC000192800425 323826506 /nfs/dbraw/zinc/82/65/06/323826506.db2.gz IUXJKZTWNQSTOW-JSGCOSHPSA-N 1 0 335.404 3.100 20 5 EGBDRO O=C(CC[NH2+]CCCc1ccccc1F)Nc1ccccc1[N+](=O)[O-] ZINC000579465437 325114033 /nfs/dbraw/zinc/11/40/33/325114033.db2.gz YXIKDFGARRVTHD-UHFFFAOYSA-N 1 0 345.374 3.285 20 5 EGBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@@H]3CCCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000580547777 325266019 /nfs/dbraw/zinc/26/60/19/325266019.db2.gz VLXBMCGGWGBYRA-BBRMVZONSA-N 1 0 347.415 3.197 20 5 EGBDRO COc1ccc(C[NH2+][C@@H](c2ccccc2)C(C)(C)CO)cc1[N+](=O)[O-] ZINC000581422071 325359993 /nfs/dbraw/zinc/35/99/93/325359993.db2.gz RCDLTIUJNSNDMF-SFHVURJKSA-N 1 0 344.411 3.453 20 5 EGBDRO CC[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)[C@@H](C)C1 ZINC000581446392 325361905 /nfs/dbraw/zinc/36/19/05/325361905.db2.gz TYHPGKKRNNFVHH-ZDUSSCGKSA-N 1 0 344.390 3.326 20 5 EGBDRO COc1ccc(NC(=O)CC[N@H+](C)[C@@H](C)C(C)(C)C)c([N+](=O)[O-])c1 ZINC000581534708 325369543 /nfs/dbraw/zinc/36/95/43/325369543.db2.gz ZJSISFWOOCFXJY-LBPRGKRZSA-N 1 0 337.420 3.298 20 5 EGBDRO CCCC[NH+]1CCC(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC000264537116 455232081 /nfs/dbraw/zinc/23/20/81/455232081.db2.gz KBQRYENTANVTPH-UHFFFAOYSA-N 1 0 344.415 3.070 20 5 EGBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000189955927 455260619 /nfs/dbraw/zinc/26/06/19/455260619.db2.gz ODTBIDLUMSADNR-OAHLLOKOSA-N 1 0 333.432 3.275 20 5 EGBDRO COc1ccc(OCC[N@H+](C)[C@@H](C)c2cccc(O)c2)c([N+](=O)[O-])c1 ZINC000173365166 455274076 /nfs/dbraw/zinc/27/40/76/455274076.db2.gz RKAJBWVBJRSCOX-ZDUSSCGKSA-N 1 0 346.383 3.381 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CC(C)(C)OC(C)(C)C1 ZINC000190539549 455339690 /nfs/dbraw/zinc/33/96/90/455339690.db2.gz LYYHTMYAOFLWAL-UHFFFAOYSA-N 1 0 349.431 3.121 20 5 EGBDRO CN(C(=O)C[N@@H+]1CCC[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000010340851 453288017 /nfs/dbraw/zinc/28/80/17/453288017.db2.gz QSGVHFGNPADUMR-GOSISDBHSA-N 1 0 339.395 3.395 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)nc1 ZINC000014713213 453542649 /nfs/dbraw/zinc/54/26/49/453542649.db2.gz DTJRLFWJXFFJPV-UHFFFAOYSA-N 1 0 346.818 3.356 20 5 EGBDRO CNC(=O)c1ccc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000025947794 453790387 /nfs/dbraw/zinc/79/03/87/453790387.db2.gz CEOJXDPLSBJWTL-UHFFFAOYSA-N 1 0 339.395 3.119 20 5 EGBDRO Cn1cnc([N+](=O)[O-])c1NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000029852725 453831926 /nfs/dbraw/zinc/83/19/26/453831926.db2.gz CLEJZQRAEDJMJC-AWEZNQCLSA-N 1 0 349.822 3.231 20 5 EGBDRO Cn1cnc([N+](=O)[O-])c1NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000029852721 453832110 /nfs/dbraw/zinc/83/21/10/453832110.db2.gz CLEJZQRAEDJMJC-CQSZACIVSA-N 1 0 349.822 3.231 20 5 EGBDRO CC[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000030144630 453834131 /nfs/dbraw/zinc/83/41/31/453834131.db2.gz UKDZOLLRUVEWRG-ZDUSSCGKSA-N 1 0 335.404 3.054 20 5 EGBDRO CC[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1CCCC1 ZINC000052908441 453848905 /nfs/dbraw/zinc/84/89/05/453848905.db2.gz LGJGAAXQXAURCC-UHFFFAOYSA-N 1 0 325.796 3.451 20 5 EGBDRO C[N@H+](CCCCc1ccccc1)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000053079262 453856784 /nfs/dbraw/zinc/85/67/84/453856784.db2.gz AQBLQALSKJRVMB-UHFFFAOYSA-N 1 0 341.411 3.488 20 5 EGBDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000066726513 453868052 /nfs/dbraw/zinc/86/80/52/453868052.db2.gz YJEAKCHLJNDYAF-UHFFFAOYSA-N 1 0 341.411 3.319 20 5 EGBDRO C[NH+](C)[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000033040381 453901667 /nfs/dbraw/zinc/90/16/67/453901667.db2.gz NFERFIQXDOSCSH-INIZCTEOSA-N 1 0 328.372 3.019 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000067132590 453904818 /nfs/dbraw/zinc/90/48/18/453904818.db2.gz LQSUUDAGMQPGEQ-BBRMVZONSA-N 1 0 347.415 3.197 20 5 EGBDRO CCc1ccc(C(=O)N(C)C2CC[NH+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000081828523 453913308 /nfs/dbraw/zinc/91/33/08/453913308.db2.gz MZYICTALRJGNOG-UHFFFAOYSA-N 1 0 333.432 3.102 20 5 EGBDRO C[C@H](Nc1ccc([N+](=O)[O-])cc1Br)C1CC[NH+](C)CC1 ZINC000037131105 453934203 /nfs/dbraw/zinc/93/42/03/453934203.db2.gz MGLVQKDGLLLPIC-JTQLQIEISA-N 1 0 342.237 3.500 20 5 EGBDRO CO[C@@]1(C)C[C@@H]([N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)C1(C)C ZINC000083216355 453944644 /nfs/dbraw/zinc/94/46/44/453944644.db2.gz SSUZIJAILMWOJY-PBHICJAKSA-N 1 0 333.388 3.371 20 5 EGBDRO CC(C)[C@@H](CNC(=O)c1ccccc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000041402407 453965133 /nfs/dbraw/zinc/96/51/33/453965133.db2.gz QWFMRROYFFZDPF-QGZVFWFLSA-N 1 0 333.432 3.081 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[N@H+](CCc1ccccc1)[C@H]1CCOC1 ZINC000084134133 453971257 /nfs/dbraw/zinc/97/12/57/453971257.db2.gz QFRJLXBECMBDBG-SFHVURJKSA-N 1 0 326.396 3.428 20 5 EGBDRO CCc1ccc([C@@H](NC[C@H](C)[NH+](C)C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000612409696 460623625 /nfs/dbraw/zinc/62/36/25/460623625.db2.gz OMTUNUSPJAWPLT-UGSOOPFHSA-N 1 0 331.416 3.379 20 5 EGBDRO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(F)c1 ZINC000056196935 454043624 /nfs/dbraw/zinc/04/36/24/454043624.db2.gz GEGZNZVIOROEMG-RYUDHWBXSA-N 1 0 331.347 3.412 20 5 EGBDRO CC(C)[NH+](CCNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C(C)C ZINC000043343185 454057585 /nfs/dbraw/zinc/05/75/85/454057585.db2.gz RNINWBGCTVRLBT-UHFFFAOYSA-N 1 0 342.827 3.489 20 5 EGBDRO C[N@@H+]1CCC[C@@H](CNc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000044537710 454105373 /nfs/dbraw/zinc/10/53/73/454105373.db2.gz GZHWXAFJNXNTOV-JTQLQIEISA-N 1 0 328.210 3.111 20 5 EGBDRO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000089513257 454157445 /nfs/dbraw/zinc/15/74/45/454157445.db2.gz OWHPYVQELLXLNP-CYBMUJFWSA-N 1 0 348.424 3.239 20 5 EGBDRO COc1cccc2c1CC[C@H]2[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000089580957 454162953 /nfs/dbraw/zinc/16/29/53/454162953.db2.gz FLXHPGPQSJKRBZ-QGZVFWFLSA-N 1 0 328.368 3.259 20 5 EGBDRO O=[N+]([O-])c1ccc(OCC[NH2+]C2CCN(c3ccccc3)CC2)cc1 ZINC000089580914 454163206 /nfs/dbraw/zinc/16/32/06/454163206.db2.gz JXPOIUYTXOSJMT-UHFFFAOYSA-N 1 0 341.411 3.232 20 5 EGBDRO Cc1c([C@H](C)[NH2+]CC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000119508512 454200300 /nfs/dbraw/zinc/20/03/00/454200300.db2.gz FBNSBFLQNNOSSQ-LZWOXQAQSA-N 1 0 349.475 3.442 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(NC(N)=O)cc2)cc1[N+](=O)[O-] ZINC000130907500 454226169 /nfs/dbraw/zinc/22/61/69/454226169.db2.gz VXEHRZKDNXHIEW-LBPRGKRZSA-N 1 0 328.372 3.245 20 5 EGBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000058899798 454241991 /nfs/dbraw/zinc/24/19/91/454241991.db2.gz XZDGHOFVPURIJS-BETUJISGSA-N 1 0 339.461 3.144 20 5 EGBDRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000046426972 454251090 /nfs/dbraw/zinc/25/10/90/454251090.db2.gz HJIGCCIPJIWYIJ-KBPBESRZSA-N 1 0 334.420 3.084 20 5 EGBDRO CN(CC(=O)NC1CC1)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000120319061 454286257 /nfs/dbraw/zinc/28/62/57/454286257.db2.gz DHGSDNXVZNEPSW-UHFFFAOYSA-N 1 0 345.424 3.034 20 5 EGBDRO Cc1cnc(N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)c([N+](=O)[O-])c1 ZINC000078663450 454294134 /nfs/dbraw/zinc/29/41/34/454294134.db2.gz DZUGUEWVUDDJFY-HOTGVXAUSA-N 1 0 332.448 3.389 20 5 EGBDRO O=[N+]([O-])c1cccnc1Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000060874400 454318727 /nfs/dbraw/zinc/31/87/27/454318727.db2.gz JJHMXZSHUUGKRM-UHFFFAOYSA-N 1 0 344.440 3.325 20 5 EGBDRO Cc1ccc([C@H]2CCCC[N@@H+]2CCn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000090550550 454319283 /nfs/dbraw/zinc/31/92/83/454319283.db2.gz ORRARLGEKKQGMS-GOSISDBHSA-N 1 0 341.411 3.292 20 5 EGBDRO CC[C@@]1(C)CCC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000072802747 454342232 /nfs/dbraw/zinc/34/22/32/454342232.db2.gz FKFDIIYSMSIGKT-SFHVURJKSA-N 1 0 347.415 3.405 20 5 EGBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000184762633 455443231 /nfs/dbraw/zinc/44/32/31/455443231.db2.gz GBNNKNWQHBWAEE-INIZCTEOSA-N 1 0 347.459 3.154 20 5 EGBDRO Cc1c(C(=O)N(C)CC[N@H+](C)C2CCCCC2)cccc1[N+](=O)[O-] ZINC000063771970 454447611 /nfs/dbraw/zinc/44/76/11/454447611.db2.gz VYZJSVWCQCTROF-UHFFFAOYSA-N 1 0 333.432 3.240 20 5 EGBDRO O=[N+]([O-])c1ccc(CCN2CC[NH+](CC3CCCCC3)CC2)cc1 ZINC000064130566 454466891 /nfs/dbraw/zinc/46/68/91/454466891.db2.gz OCEXKAMGICPPDD-UHFFFAOYSA-N 1 0 331.460 3.335 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)Cc1ccsc1 ZINC000122340793 454525623 /nfs/dbraw/zinc/52/56/23/454525623.db2.gz CCSLLNUEZRCURQ-UHFFFAOYSA-N 1 0 349.412 3.126 20 5 EGBDRO CC([NH2+]CCn1cc([N+](=O)[O-])cn1)(c1ccccc1)c1ccccc1 ZINC000182182191 455455040 /nfs/dbraw/zinc/45/50/40/455455040.db2.gz GEKCALJQPKYNBL-UHFFFAOYSA-N 1 0 336.395 3.345 20 5 EGBDRO CC[C@@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)CC[C@H]1c1ccccc1 ZINC000246242727 455456979 /nfs/dbraw/zinc/45/69/79/455456979.db2.gz RTVSOYBPMWCLEX-NVXWUHKLSA-N 1 0 328.416 3.307 20 5 EGBDRO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000134654513 454574800 /nfs/dbraw/zinc/57/48/00/454574800.db2.gz FNENVKDSZVAWBC-ZFWWWQNUSA-N 1 0 349.431 3.472 20 5 EGBDRO CC(C)[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000182147823 455446352 /nfs/dbraw/zinc/44/63/52/455446352.db2.gz DTDMRWFRAYRVAU-UHFFFAOYSA-N 1 0 340.445 3.022 20 5 EGBDRO C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)C[N@@H+]1C1CC1 ZINC000092672222 454607176 /nfs/dbraw/zinc/60/71/76/454607176.db2.gz UKCJIYMFUHDGQI-ONGXEEELSA-N 1 0 327.331 3.233 20 5 EGBDRO CC[N@H+](C)Cc1cccc(CNC(=O)c2cc(C)cc([N+](=O)[O-])c2)c1 ZINC000123634268 454659447 /nfs/dbraw/zinc/65/94/47/454659447.db2.gz MIMJYAHDEJAZRJ-UHFFFAOYSA-N 1 0 341.411 3.285 20 5 EGBDRO Cc1nn(C)c(NC2CC[NH+](Cc3ccccc3C)CC2)c1[N+](=O)[O-] ZINC000052406943 454670459 /nfs/dbraw/zinc/67/04/59/454670459.db2.gz FTKRTRHWJWJPCF-UHFFFAOYSA-N 1 0 343.431 3.022 20 5 EGBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000152877058 454736016 /nfs/dbraw/zinc/73/60/16/454736016.db2.gz PLKRFISQDATAGY-DOTOQJQBSA-N 1 0 347.459 3.358 20 5 EGBDRO C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C[C@H]1CCCOC1 ZINC000107686527 454768756 /nfs/dbraw/zinc/76/87/56/454768756.db2.gz QRIGEEKQNTYSNI-CQSZACIVSA-N 1 0 345.399 3.151 20 5 EGBDRO CC[C@H](C)C[N@H+](CC)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000160578372 455476694 /nfs/dbraw/zinc/47/66/94/455476694.db2.gz WUOMNRSWSQNGPP-STQMWFEESA-N 1 0 337.420 3.298 20 5 EGBDRO C[NH+](C)C[C@@H]1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000125457570 454823953 /nfs/dbraw/zinc/82/39/53/454823953.db2.gz DDKYBACXZFMKRR-ZDUSSCGKSA-N 1 0 346.456 3.102 20 5 EGBDRO COCC[N@H+](CCOc1ccccc1[N+](=O)[O-])Cc1ccc(C)o1 ZINC000125499766 454826943 /nfs/dbraw/zinc/82/69/43/454826943.db2.gz QWXALRZJZWXPKS-UHFFFAOYSA-N 1 0 334.372 3.024 20 5 EGBDRO CC[C@H]1CCCC[C@@H]1[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000163165729 454827634 /nfs/dbraw/zinc/82/76/34/454827634.db2.gz HUXZFQPPAZDKRX-BBRMVZONSA-N 1 0 331.416 3.042 20 5 EGBDRO CC(C)(CCc1ccccc1)[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000177185627 454833496 /nfs/dbraw/zinc/83/34/96/454833496.db2.gz PZUDPZAIEGMMLE-UHFFFAOYSA-N 1 0 341.411 3.195 20 5 EGBDRO CC[C@@H]([NH2+]CC(=O)Nc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000126318090 454884856 /nfs/dbraw/zinc/88/48/56/454884856.db2.gz KFINUDXLNYXBCL-MRXNPFEDSA-N 1 0 331.347 3.413 20 5 EGBDRO C[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000112656534 454894750 /nfs/dbraw/zinc/89/47/50/454894750.db2.gz JCCBXPUSDYVILP-DOMZBBRYSA-N 1 0 330.363 3.376 20 5 EGBDRO C[C@H](CNC(=O)c1cccc(Cl)c1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000175707395 455484889 /nfs/dbraw/zinc/48/48/89/455484889.db2.gz SPOXEZQZMGATQR-GFCCVEGCSA-N 1 0 339.823 3.100 20 5 EGBDRO C[C@H](CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)[N@H+](C)C1CC1 ZINC000113337401 454923289 /nfs/dbraw/zinc/92/32/89/454923289.db2.gz XNBBONPBNBJLBQ-GFCCVEGCSA-N 1 0 346.456 3.291 20 5 EGBDRO C[C@@H]1CC([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000128587304 455070228 /nfs/dbraw/zinc/07/02/28/455070228.db2.gz PSODRGPKJVXISR-CHWSQXEVSA-N 1 0 344.415 3.041 20 5 EGBDRO COc1cc(C[NH+]2CCC(C)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000179872125 455091670 /nfs/dbraw/zinc/09/16/70/455091670.db2.gz VFBKWLRBSWTBHB-UHFFFAOYSA-N 1 0 344.358 3.479 20 5 EGBDRO CC[N@H+](Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-])C1CC1 ZINC000179931349 455100427 /nfs/dbraw/zinc/10/04/27/455100427.db2.gz NNEPZJGBZHQZHA-UHFFFAOYSA-N 1 0 330.331 3.232 20 5 EGBDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccccc2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000172029415 455110737 /nfs/dbraw/zinc/11/07/37/455110737.db2.gz CINQMIFRMFPRBD-KBXCAEBGSA-N 1 0 339.395 3.441 20 5 EGBDRO Cc1cc([N+](=O)[O-])cnc1NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000180044725 455121648 /nfs/dbraw/zinc/12/16/48/455121648.db2.gz DLOHIWMHGXXZNF-UHFFFAOYSA-N 1 0 327.388 3.022 20 5 EGBDRO C[C@]1(O)CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000180183504 455145761 /nfs/dbraw/zinc/14/57/61/455145761.db2.gz PNKLNSCUIMSCAQ-INIZCTEOSA-N 1 0 336.775 3.465 20 5 EGBDRO C[C@@H]([NH2+]CC(=O)Nc1ccc(F)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000180407599 455164736 /nfs/dbraw/zinc/16/47/36/455164736.db2.gz GTGLALCJXSUWTP-SNVBAGLBSA-N 1 0 335.310 3.162 20 5 EGBDRO Cc1ccc(CNC(=O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1F ZINC000180434653 455169338 /nfs/dbraw/zinc/16/93/38/455169338.db2.gz BGJIGFQGYLOYCN-ZDUSSCGKSA-N 1 0 345.374 3.009 20 5 EGBDRO CC[C@H]([NH2+]CCCOCC1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000157531360 455203904 /nfs/dbraw/zinc/20/39/04/455203904.db2.gz QSBZVJFEWWHOQF-SFHVURJKSA-N 1 0 336.432 3.469 20 5 EGBDRO C[C@@H](O)[C@@H]1CCCC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000264409394 455207554 /nfs/dbraw/zinc/20/75/54/455207554.db2.gz JLEFAEPFHXVJKA-CJNGLKHVSA-N 1 0 345.399 3.028 20 5 EGBDRO C[C@H]1C[C@@H]1c1ccc(C[N@H+](CCn2cc([N+](=O)[O-])cn2)C2CC2)o1 ZINC000157663196 455218578 /nfs/dbraw/zinc/21/85/78/455218578.db2.gz MRCRAPJJXWAZSB-LRDDRELGSA-N 1 0 330.388 3.172 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)ccc1NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000265486866 455333435 /nfs/dbraw/zinc/33/34/35/455333435.db2.gz JJGWUSDRSOCSHS-LBPRGKRZSA-N 1 0 339.823 3.161 20 5 EGBDRO C[NH+](C)[C@@H](CNc1ncc([N+](=O)[O-])cc1Cl)c1cccs1 ZINC000265518903 455337360 /nfs/dbraw/zinc/33/73/60/455337360.db2.gz LQZRNKWXNVRRNZ-NSHDSACASA-N 1 0 326.809 3.420 20 5 EGBDRO C[C@@H](C[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1nccs1 ZINC000183932810 455340829 /nfs/dbraw/zinc/34/08/29/455340829.db2.gz XTESCRUOVKROSA-LBPRGKRZSA-N 1 0 348.428 3.115 20 5 EGBDRO CC(C)(C)[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc(F)cc1F ZINC000181614337 455362892 /nfs/dbraw/zinc/36/28/92/455362892.db2.gz KZGDUDDWUMCKGS-OAHLLOKOSA-N 1 0 338.358 3.447 20 5 EGBDRO CC(C)(C)[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc(F)cc1F ZINC000181614357 455363019 /nfs/dbraw/zinc/36/30/19/455363019.db2.gz KZGDUDDWUMCKGS-HNNXBMFYSA-N 1 0 338.358 3.447 20 5 EGBDRO Cc1cccc(C(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1[N+](=O)[O-] ZINC000181660672 455369895 /nfs/dbraw/zinc/36/98/95/455369895.db2.gz KQQXXXIZKMTEKK-CABCVRRESA-N 1 0 345.443 3.286 20 5 EGBDRO CCc1ccc(C(=O)N(CC[NH+](C)C)C2CCCC2)cc1[N+](=O)[O-] ZINC000174228119 455371712 /nfs/dbraw/zinc/37/17/12/455371712.db2.gz PDNMPGQPSUVMFE-UHFFFAOYSA-N 1 0 333.432 3.104 20 5 EGBDRO COc1cc(C[NH2+][C@H](C)[C@@H]2COc3ccccc32)c([N+](=O)[O-])cc1F ZINC000184408783 455377424 /nfs/dbraw/zinc/37/74/24/455377424.db2.gz XSISGYNQXSQQPO-RISCZKNCSA-N 1 0 346.358 3.397 20 5 EGBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000265939250 455411401 /nfs/dbraw/zinc/41/14/01/455411401.db2.gz HEJSGGQECJSEDU-CJNGLKHVSA-N 1 0 347.459 3.305 20 5 EGBDRO CC[NH+]1CCN(c2cccc(NCc3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000190967814 455416829 /nfs/dbraw/zinc/41/68/29/455416829.db2.gz HWGCRBFEAQZIGB-UHFFFAOYSA-N 1 0 340.427 3.349 20 5 EGBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000184693450 455429088 /nfs/dbraw/zinc/42/90/88/455429088.db2.gz TWDHVEZCHVCBFW-KRWDZBQOSA-N 1 0 347.459 3.012 20 5 EGBDRO Cc1cc(N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)ncc1[N+](=O)[O-] ZINC000266856839 455463395 /nfs/dbraw/zinc/46/33/95/455463395.db2.gz UMLVWXNKUJXIFI-CVEARBPZSA-N 1 0 332.448 3.389 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H](C)CC1(C)C ZINC000266921374 455475994 /nfs/dbraw/zinc/47/59/94/455475994.db2.gz IQEZSYUMNLVUMH-GFCCVEGCSA-N 1 0 335.404 3.052 20 5 EGBDRO COc1ccc(OCC[NH2+][C@H](C)c2ncc(C)s2)c([N+](=O)[O-])c1 ZINC000184993125 455482794 /nfs/dbraw/zinc/48/27/94/455482794.db2.gz ALFRXKZUBVFDKJ-LLVKDONJSA-N 1 0 337.401 3.098 20 5 EGBDRO Cc1cccc(C[C@H](CO)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000191603022 455502388 /nfs/dbraw/zinc/50/23/88/455502388.db2.gz CCSCMEXRDQVASI-NVXWUHKLSA-N 1 0 328.412 3.466 20 5 EGBDRO CC(C)C[NH+]1CCC(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000175873984 455509542 /nfs/dbraw/zinc/50/95/42/455509542.db2.gz BTQCROMBDUIEKM-UHFFFAOYSA-N 1 0 339.823 3.098 20 5 EGBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000175932438 455517317 /nfs/dbraw/zinc/51/73/17/455517317.db2.gz KSQNFNMKWVSMIJ-GFCCVEGCSA-N 1 0 339.823 3.098 20 5 EGBDRO C[C@@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000271419858 455629973 /nfs/dbraw/zinc/62/99/73/455629973.db2.gz BMEHQXKKBUQFGY-RDTXWAMCSA-N 1 0 339.395 3.047 20 5 EGBDRO CC(C)N1CCC[C@@H]([N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)C1=O ZINC000192552615 455641216 /nfs/dbraw/zinc/64/12/16/455641216.db2.gz QKRYMMIVUIXOMD-QGZVFWFLSA-N 1 0 333.432 3.205 20 5 EGBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000284158196 455644261 /nfs/dbraw/zinc/64/42/61/455644261.db2.gz WICGSZXUQKDWLW-LLVKDONJSA-N 1 0 340.811 3.054 20 5 EGBDRO Cc1ccoc1C[N@H+](C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000292388644 455647952 /nfs/dbraw/zinc/64/79/52/455647952.db2.gz SBQBZFNIRPBMTG-UHFFFAOYSA-N 1 0 331.372 3.265 20 5 EGBDRO CCc1nnc([C@H](C)[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])[nH]1 ZINC000271471598 455649875 /nfs/dbraw/zinc/64/98/75/455649875.db2.gz IKISLYJNKYGYNK-GUTXKFCHSA-N 1 0 343.431 3.337 20 5 EGBDRO COc1ccc([C@@H](C[NH+](C)C)NCc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000284209133 455651554 /nfs/dbraw/zinc/65/15/54/455651554.db2.gz ZIBWQSJYAYLVKF-GOSISDBHSA-N 1 0 343.427 3.304 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000247986985 455665869 /nfs/dbraw/zinc/66/58/69/455665869.db2.gz IXGHULUUHFPWQX-YJBOKZPZSA-N 1 0 334.416 3.121 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@@H](O)c1ccccc1F)CCC2 ZINC000192711819 455676379 /nfs/dbraw/zinc/67/63/79/455676379.db2.gz MAMOEWVSDQNUAG-ZWKOTPCHSA-N 1 0 330.359 3.435 20 5 EGBDRO C[N@@H+]1CCC[C@H]2CN(c3ccc([N+](=O)[O-])c4cccnc43)CC[C@H]21 ZINC000268807380 455714610 /nfs/dbraw/zinc/71/46/10/455714610.db2.gz GAPBSAXDZQKGHV-DZGCQCFKSA-N 1 0 326.400 3.064 20 5 EGBDRO COc1ccc([C@H](CNc2ccccc2[N+](=O)[O-])[NH+](C)C)cc1OC ZINC000192905875 455715855 /nfs/dbraw/zinc/71/58/55/455715855.db2.gz LLJKXJKNESDAIC-INIZCTEOSA-N 1 0 345.399 3.327 20 5 EGBDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)C2)C1 ZINC000292676930 455729200 /nfs/dbraw/zinc/72/92/00/455729200.db2.gz ZZNKSMPBDJIZSQ-LJQANCHMSA-N 1 0 345.443 3.060 20 5 EGBDRO Cc1c([C@H](C)[NH2+]CC(=O)N(C)C2CCCCC2)cccc1[N+](=O)[O-] ZINC000268933760 455735641 /nfs/dbraw/zinc/73/56/41/455735641.db2.gz MRFGCQDWWXPMSR-AWEZNQCLSA-N 1 0 333.432 3.345 20 5 EGBDRO CCOC[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000292729456 455742035 /nfs/dbraw/zinc/74/20/35/455742035.db2.gz GMKDWAXGCQOWDA-NSHDSACASA-N 1 0 332.322 3.472 20 5 EGBDRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000269107468 455790885 /nfs/dbraw/zinc/79/08/85/455790885.db2.gz GITNXVPXESBLDZ-UHFFFAOYSA-N 1 0 328.372 3.079 20 5 EGBDRO COc1ccc([C@@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000194352540 455831032 /nfs/dbraw/zinc/83/10/32/455831032.db2.gz DCWJWNCVYWBVHZ-CYBMUJFWSA-N 1 0 346.383 3.342 20 5 EGBDRO COc1cc2c(cc1OC)[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])CC2 ZINC000279928188 455877622 /nfs/dbraw/zinc/87/76/22/455877622.db2.gz AMXNJCURKMXBDK-HNNXBMFYSA-N 1 0 328.368 3.389 20 5 EGBDRO C[NH+]1CCC([C@@H]2CCN(c3c(F)cc([N+](=O)[O-])cc3F)C2)CC1 ZINC000270165650 455892705 /nfs/dbraw/zinc/89/27/05/455892705.db2.gz KJMDIYDBPOKYAO-GFCCVEGCSA-N 1 0 325.359 3.041 20 5 EGBDRO [NH3+]C1(c2noc(-c3csc(-c4ccc([N+](=O)[O-])cc4)n3)n2)CCC1 ZINC000261638434 455918256 /nfs/dbraw/zinc/91/82/56/455918256.db2.gz AAOOBJSMMQMSIQ-UHFFFAOYSA-N 1 0 343.368 3.106 20 5 EGBDRO COc1ccccc1[C@H](CNc1ncc([N+](=O)[O-])s1)[NH+]1CCCC1 ZINC000195505956 455971136 /nfs/dbraw/zinc/97/11/36/455971136.db2.gz BIHLFNPBPFNHLV-ZDUSSCGKSA-N 1 0 348.428 3.309 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CCCC[C@@H](C)C1 ZINC000187990342 455976851 /nfs/dbraw/zinc/97/68/51/455976851.db2.gz MDVZFRLWKKSPHU-OLZOCXBDSA-N 1 0 335.404 3.052 20 5 EGBDRO Cc1cc(NC(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000296605135 455986939 /nfs/dbraw/zinc/98/69/39/455986939.db2.gz DUVNUYVXUFKBFU-CYBMUJFWSA-N 1 0 346.431 3.241 20 5 EGBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000286179265 455994357 /nfs/dbraw/zinc/99/43/57/455994357.db2.gz AJHZSRIKJDEQLP-MNOVXSKESA-N 1 0 344.337 3.072 20 5 EGBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1ccc2ncccc2c1[N+](=O)[O-] ZINC000286221290 456003161 /nfs/dbraw/zinc/00/31/61/456003161.db2.gz DAMRSQZNRCSHMQ-KGLIPLIRSA-N 1 0 326.400 3.206 20 5 EGBDRO CC[C@H]1CO[C@@H](C)CN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000270672408 456011635 /nfs/dbraw/zinc/01/16/35/456011635.db2.gz XKXAXICKJXKUBN-WFASDCNBSA-N 1 0 331.372 3.249 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCn1cnc2c1CCCC2 ZINC000296718294 456018415 /nfs/dbraw/zinc/01/84/15/456018415.db2.gz NJMPVRIQJFMZJS-UHFFFAOYSA-N 1 0 328.372 3.007 20 5 EGBDRO CCC(=O)c1ccc(N2CC[C@@H]([NH+]3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000280829844 456061955 /nfs/dbraw/zinc/06/19/55/456061955.db2.gz YZTINACVBDYUSR-OAHLLOKOSA-N 1 0 331.416 3.252 20 5 EGBDRO COc1ccc(C[NH2+][C@H](C)c2ccc(NC(C)=O)cc2)cc1[N+](=O)[O-] ZINC000272757859 456062058 /nfs/dbraw/zinc/06/20/58/456062058.db2.gz PKNVVRMRYMHMIW-GFCCVEGCSA-N 1 0 343.383 3.413 20 5 EGBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000270915718 456065808 /nfs/dbraw/zinc/06/58/08/456065808.db2.gz JCNKDOFYKABWIK-LLVKDONJSA-N 1 0 339.823 3.051 20 5 EGBDRO CC(C)[N@H+](C)CCCNc1ccc([N+](=O)[O-])cc1Br ZINC000226428858 456110768 /nfs/dbraw/zinc/11/07/68/456110768.db2.gz BEZMBFGZXBVRAE-UHFFFAOYSA-N 1 0 330.226 3.500 20 5 EGBDRO C[C@H]1c2ccsc2CC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000272961183 456126041 /nfs/dbraw/zinc/12/60/41/456126041.db2.gz SFUFVHGSPWQOSN-STQMWFEESA-N 1 0 348.424 3.015 20 5 EGBDRO CC[C@H](COCC(F)(F)F)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000297181302 456142924 /nfs/dbraw/zinc/14/29/24/456142924.db2.gz DXLVXCHJBAYPCN-GXSJLCMTSA-N 1 0 335.326 3.185 20 5 EGBDRO CCN(C)C(=O)[C@@H](C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000188890311 456163186 /nfs/dbraw/zinc/16/31/86/456163186.db2.gz BCLLHLAVRXGTLV-GFCCVEGCSA-N 1 0 347.440 3.280 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@@]1(CO)C[C@@H]1c1ccccc1 ZINC000289898691 456173921 /nfs/dbraw/zinc/17/39/21/456173921.db2.gz QWTSBCPSQRNFSV-FXOUOLKJSA-N 1 0 338.407 3.364 20 5 EGBDRO CCC[NH2+]CCNC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000236820136 456188199 /nfs/dbraw/zinc/18/81/99/456188199.db2.gz JXBVGXPLJUUZBA-UHFFFAOYSA-N 1 0 343.383 3.117 20 5 EGBDRO C[NH+](C)[C@H](CNc1ncc(Cl)cc1[N+](=O)[O-])c1cccc(F)c1 ZINC000301727773 456199246 /nfs/dbraw/zinc/19/92/46/456199246.db2.gz BLFZTPXEWYAEER-CQSZACIVSA-N 1 0 338.770 3.497 20 5 EGBDRO CN(c1ccc([N+](=O)[O-])c(-c2ccccc2)n1)[C@@H]1CCC[N@H+](C)C1 ZINC000301853347 456232615 /nfs/dbraw/zinc/23/26/15/456232615.db2.gz GYPXOJIWXIUBJT-OAHLLOKOSA-N 1 0 326.400 3.187 20 5 EGBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000301932393 456253010 /nfs/dbraw/zinc/25/30/10/456253010.db2.gz PAKNYJYMMPTBQM-UHFFFAOYSA-N 1 0 332.448 3.391 20 5 EGBDRO C[C@@H](C[N@H+](C)Cc1ccccc1)Nc1nc2sccn2c1[N+](=O)[O-] ZINC000302041451 456274050 /nfs/dbraw/zinc/27/40/50/456274050.db2.gz WNCVNBGKGRXWOJ-LBPRGKRZSA-N 1 0 345.428 3.236 20 5 EGBDRO Cc1cc([N+](=O)[O-])cnc1N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000302152975 456301070 /nfs/dbraw/zinc/30/10/70/456301070.db2.gz CLHAYQRECCZDNB-WMLDXEAASA-N 1 0 326.400 3.231 20 5 EGBDRO CS[C@@H]1CN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000340198315 456309391 /nfs/dbraw/zinc/30/93/91/456309391.db2.gz AUPUMOFXBASEFF-CHWSQXEVSA-N 1 0 349.378 3.095 20 5 EGBDRO CCn1ccnc1[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000281901946 456354789 /nfs/dbraw/zinc/35/47/89/456354789.db2.gz UGQAGAFHTATTIM-HNNXBMFYSA-N 1 0 346.362 3.318 20 5 EGBDRO Cc1cc(N2CCC[C@@H]([NH+](C)C)C2)c(Br)cc1[N+](=O)[O-] ZINC000302634474 456366627 /nfs/dbraw/zinc/36/66/27/456366627.db2.gz CQHJCDUMXBROOY-LLVKDONJSA-N 1 0 342.237 3.196 20 5 EGBDRO CC[N@H+](CCNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)C(C)C ZINC000340311183 456380252 /nfs/dbraw/zinc/38/02/52/456380252.db2.gz FFCHSYXUNIQEDG-UHFFFAOYSA-N 1 0 347.337 3.074 20 5 EGBDRO Cc1cc(NC[C@H](C2CC2)[NH+](C)C)c(Br)cc1[N+](=O)[O-] ZINC000302716501 456382362 /nfs/dbraw/zinc/38/23/62/456382362.db2.gz YIKKGESEYPDIPF-CQSZACIVSA-N 1 0 342.237 3.418 20 5 EGBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1N[C@@H](C)[C@@H](C)N1CCOCC1 ZINC000302810503 456406775 /nfs/dbraw/zinc/40/67/75/456406775.db2.gz GXPZIFUKTJGBTH-NWDGAFQWSA-N 1 0 327.812 3.078 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1NCC[N@@H+]1CCc3sccc3C1)CCN2 ZINC000302865863 456420278 /nfs/dbraw/zinc/42/02/78/456420278.db2.gz YHRCJWUFOWXCQB-UHFFFAOYSA-N 1 0 344.440 3.095 20 5 EGBDRO O=C1[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CCCN1C1CCCCC1 ZINC000276234318 456420323 /nfs/dbraw/zinc/42/03/23/456420323.db2.gz SRXBYWAEWVIUIH-QGZVFWFLSA-N 1 0 331.416 3.008 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000276414977 456474856 /nfs/dbraw/zinc/47/48/56/456474856.db2.gz MZEFMVSBMMSUPH-OAHLLOKOSA-N 1 0 348.447 3.311 20 5 EGBDRO Cc1ccccc1NC(=O)CN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000282328600 456477869 /nfs/dbraw/zinc/47/78/69/456477869.db2.gz AUGZJTXOYOPCSU-UHFFFAOYSA-N 1 0 327.384 3.016 20 5 EGBDRO CC[C@@H](C)[NH2+][C@H](CNc1nc2sccn2c1[N+](=O)[O-])c1ccco1 ZINC000343264796 456493010 /nfs/dbraw/zinc/49/30/10/456493010.db2.gz LWCZLQORPOCRAQ-GHMZBOCLSA-N 1 0 349.416 3.438 20 5 EGBDRO CC[N@@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)C[C@H](C)OC ZINC000291076894 456520599 /nfs/dbraw/zinc/52/05/99/456520599.db2.gz MRIBHBFQPUYEOY-JTQLQIEISA-N 1 0 331.210 3.214 20 5 EGBDRO CCN(CCC[NH+](CC)CC)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000276504428 456500460 /nfs/dbraw/zinc/50/04/60/456500460.db2.gz VHJPXEZUJFGRDE-UHFFFAOYSA-N 1 0 346.431 3.270 20 5 EGBDRO C[S@](=O)Cc1ccc(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])cc1 ZINC000353148674 456522887 /nfs/dbraw/zinc/52/28/87/456522887.db2.gz ZJIGNEQTFZEUOU-WUQPGSQJSA-N 1 0 344.436 3.276 20 5 EGBDRO C[S@@](=O)Cc1ccc(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])cc1 ZINC000353148672 456523009 /nfs/dbraw/zinc/52/30/09/456523009.db2.gz ZJIGNEQTFZEUOU-SRHYXSBFSA-N 1 0 344.436 3.276 20 5 EGBDRO COc1cc(C[NH2+]CC(C)(C)c2ncccc2C)c([N+](=O)[O-])cc1O ZINC000353151187 456523813 /nfs/dbraw/zinc/52/38/13/456523813.db2.gz KHLIVCQHQVUADW-UHFFFAOYSA-N 1 0 345.399 3.080 20 5 EGBDRO CNC(=O)CC[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000353167129 456535326 /nfs/dbraw/zinc/53/53/26/456535326.db2.gz LIXGFFSZVIDZIL-AWEZNQCLSA-N 1 0 339.823 3.129 20 5 EGBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCC1=CC[N@H+](C)CC1 ZINC000343333825 456537787 /nfs/dbraw/zinc/53/77/87/456537787.db2.gz IKEZOCFKCQSXQO-UHFFFAOYSA-N 1 0 349.456 3.087 20 5 EGBDRO C[C@@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000298911868 456568609 /nfs/dbraw/zinc/56/86/09/456568609.db2.gz DQSIISOOCGEIHP-LBPRGKRZSA-N 1 0 339.823 3.100 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCO[C@H]1c1ccnn1C(C)C ZINC000343399397 456594200 /nfs/dbraw/zinc/59/42/00/456594200.db2.gz VHEDPKWMZZAVNW-FUHWJXTLSA-N 1 0 344.415 3.300 20 5 EGBDRO CC(C)(CNC(=O)c1cccc(Cl)c1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000276849536 456597391 /nfs/dbraw/zinc/59/73/91/456597391.db2.gz KORKFBKHMFDCTR-UHFFFAOYSA-N 1 0 339.823 3.100 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)c(Cl)c1 ZINC000348310914 456613214 /nfs/dbraw/zinc/61/32/14/456613214.db2.gz SZWWVVVEZJGDOH-CABZTGNLSA-N 1 0 338.713 3.448 20 5 EGBDRO C[NH+](C)[C@H]1CCCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000276970084 456636301 /nfs/dbraw/zinc/63/63/01/456636301.db2.gz DNTDJXUNTZWGTO-NSHDSACASA-N 1 0 329.347 3.117 20 5 EGBDRO CC(C)C[C@H]1OCCC[C@@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000299313779 456655160 /nfs/dbraw/zinc/65/51/60/456655160.db2.gz NNRXHONUYSQMIP-DOTOQJQBSA-N 1 0 349.431 3.107 20 5 EGBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000323687784 456655359 /nfs/dbraw/zinc/65/53/59/456655359.db2.gz IMPJEQVZBXVTKB-KOLCDFICSA-N 1 0 330.310 3.047 20 5 EGBDRO CC(=O)Nc1ccccc1C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282952243 456673025 /nfs/dbraw/zinc/67/30/25/456673025.db2.gz HHBMEEFXNFWPOE-UHFFFAOYSA-N 1 0 327.384 3.228 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000277088849 456676558 /nfs/dbraw/zinc/67/65/58/456676558.db2.gz NMSCWLCFJGRMLT-CQSZACIVSA-N 1 0 334.420 3.160 20 5 EGBDRO CCS[C@H]1CCC[C@H]1[NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000348467191 456700554 /nfs/dbraw/zinc/70/05/54/456700554.db2.gz HKJNJRITVMTXCA-HIFRSBDPSA-N 1 0 337.445 3.106 20 5 EGBDRO O=[N+]([O-])c1ccc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1F ZINC000283311503 456756330 /nfs/dbraw/zinc/75/63/30/456756330.db2.gz ZAOMKWDAQBHOGE-PBHICJAKSA-N 1 0 333.407 3.183 20 5 EGBDRO CC(C)c1ccc(C[N@@H+]2C[C@H](N3CCOCC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000348556006 456764803 /nfs/dbraw/zinc/76/48/03/456764803.db2.gz OBELJRRWMMFYFF-NVXWUHKLSA-N 1 0 347.459 3.013 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C)c1ccncc1F ZINC000338338680 456776461 /nfs/dbraw/zinc/77/64/61/456776461.db2.gz DHTHMYBTKIVTOZ-LBPRGKRZSA-N 1 0 346.362 3.117 20 5 EGBDRO Cc1c(C[NH2+][C@H](C)c2ccccc2-n2ccnn2)cccc1[N+](=O)[O-] ZINC000353689119 456855026 /nfs/dbraw/zinc/85/50/26/456855026.db2.gz PUBDXQPOBMJEGG-CQSZACIVSA-N 1 0 337.383 3.335 20 5 EGBDRO CCOC(=O)c1coc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000338953570 456872843 /nfs/dbraw/zinc/87/28/43/456872843.db2.gz FWSXEVWRARQHLA-UHFFFAOYSA-N 1 0 332.356 3.039 20 5 EGBDRO O=[N+]([O-])c1cccc(C[N@@H+](C[C@H](O)Cc2ccc(F)cc2)C2CC2)c1 ZINC000339019949 456903639 /nfs/dbraw/zinc/90/36/39/456903639.db2.gz CHWNRQPKRURILK-LJQANCHMSA-N 1 0 344.386 3.302 20 5 EGBDRO C[C@@H](O)C[C@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000339050956 456916637 /nfs/dbraw/zinc/91/66/37/456916637.db2.gz BQAXPZXBQCVDLG-ZYHUDNBSSA-N 1 0 332.322 3.349 20 5 EGBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)Nc1ncnc2sc([N+](=O)[O-])cc21 ZINC000341839820 456966595 /nfs/dbraw/zinc/96/65/95/456966595.db2.gz GXIQSUNFIZGCGY-MNOVXSKESA-N 1 0 335.433 3.132 20 5 EGBDRO CC[N@H+](C)CCNC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000354022663 457016340 /nfs/dbraw/zinc/01/63/40/457016340.db2.gz RNITXHFNWZCRQQ-UHFFFAOYSA-N 1 0 342.399 3.020 20 5 EGBDRO C[NH2+]CCC1CCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000346659608 457099048 /nfs/dbraw/zinc/09/90/48/457099048.db2.gz VAVSMMGRYIPMOC-UHFFFAOYSA-N 1 0 343.374 3.018 20 5 EGBDRO Cc1nc(N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000362823621 457109811 /nfs/dbraw/zinc/10/98/11/457109811.db2.gz VBSPSCVUKHPPHB-INIZCTEOSA-N 1 0 326.400 3.009 20 5 EGBDRO C[C@H](CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC000346782597 457167634 /nfs/dbraw/zinc/16/76/34/457167634.db2.gz HJVRRRQNTVAIIF-VXGBXAGGSA-N 1 0 339.823 3.241 20 5 EGBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]C[C@H]2CCC[C@H](CO)C2)c1 ZINC000342239841 457186073 /nfs/dbraw/zinc/18/60/73/457186073.db2.gz GPKLQJUSTZETBP-RYUDHWBXSA-N 1 0 344.358 3.085 20 5 EGBDRO C[C@@H]1CN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H](C)[NH+]1C ZINC000354447444 457228021 /nfs/dbraw/zinc/22/80/21/457228021.db2.gz NUQWTMVRBMIZKU-ZIAGYGMSSA-N 1 0 329.400 3.379 20 5 EGBDRO C[C@@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H](C)[N@H+]1C ZINC000354448980 457229206 /nfs/dbraw/zinc/22/92/06/457229206.db2.gz PSAOQSPOIVEMTR-OKILXGFUSA-N 1 0 329.400 3.379 20 5 EGBDRO CC[N@@H+]1CCC[C@H]1CNc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000339770216 457259280 /nfs/dbraw/zinc/25/92/80/457259280.db2.gz ZATFVKMPLMSWHE-AWEZNQCLSA-N 1 0 332.429 3.036 20 5 EGBDRO C[C@H](C1CCC1)[N@H+](C)CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000357034775 457290495 /nfs/dbraw/zinc/29/04/95/457290495.db2.gz JFFBIIZGCWRWNG-GFCCVEGCSA-N 1 0 333.388 3.013 20 5 EGBDRO CC(=O)c1cc(N2CC[NH+](C3CCC(C)CC3)CC2)ccc1[N+](=O)[O-] ZINC000342422031 457294452 /nfs/dbraw/zinc/29/44/52/457294452.db2.gz YQRDUGMSEPIVNZ-UHFFFAOYSA-N 1 0 345.443 3.498 20 5 EGBDRO CC[C@@H](c1ccncc1)N(C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000354831071 457321856 /nfs/dbraw/zinc/32/18/56/457321856.db2.gz KZRUNVJYBMJHMM-HNNXBMFYSA-N 1 0 342.399 3.320 20 5 EGBDRO CCS(=O)(=O)c1cccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000354860310 457325603 /nfs/dbraw/zinc/32/56/03/457325603.db2.gz PUMODJXZMDINCH-CYBMUJFWSA-N 1 0 348.424 3.239 20 5 EGBDRO Cn1cncc1C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000352465182 457389395 /nfs/dbraw/zinc/38/93/95/457389395.db2.gz FIBOLAFYVLQFBL-UHFFFAOYSA-N 1 0 328.397 3.347 20 5 EGBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000360892689 457413430 /nfs/dbraw/zinc/41/34/30/457413430.db2.gz UZKXDCNMIFEIOS-NSHDSACASA-N 1 0 349.460 3.040 20 5 EGBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]C1(Cc2ccccc2)CCCCC1 ZINC000342638459 457421838 /nfs/dbraw/zinc/42/18/38/457421838.db2.gz NUXDGMUMWOEUQY-UHFFFAOYSA-N 1 0 328.416 3.364 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CC[C@@H](c4ccco4)C3)o2)cc1 ZINC000374010233 457438144 /nfs/dbraw/zinc/43/81/44/457438144.db2.gz ALHRCBVEIHPWHQ-CYBMUJFWSA-N 1 0 340.339 3.227 20 5 EGBDRO CCN(Cc1ccc(C[NH+](C)C)cc1)c1c([N+](=O)[O-])nc(C)n1CC ZINC000360960376 457468566 /nfs/dbraw/zinc/46/85/66/457468566.db2.gz LDNIXCBMOYEVAF-UHFFFAOYSA-N 1 0 345.447 3.208 20 5 EGBDRO Cc1cnc(N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000425274706 457479496 /nfs/dbraw/zinc/47/94/96/457479496.db2.gz MAZQHYWBXCENNT-FUHWJXTLSA-N 1 0 338.411 3.009 20 5 EGBDRO C[N@H+](C[C@H](O)COc1ccc([N+](=O)[O-])cc1-c1cccs1)C1CC1 ZINC000357450765 457536355 /nfs/dbraw/zinc/53/63/55/457536355.db2.gz ITXBWNJLIZXYBA-AWEZNQCLSA-N 1 0 348.424 3.157 20 5 EGBDRO CCOc1cc(C[NH2+][C@H](C)c2ccnc(OC)c2)ccc1[N+](=O)[O-] ZINC000347640181 457569281 /nfs/dbraw/zinc/56/92/81/457569281.db2.gz KQJSSLIZWXJKAS-GFCCVEGCSA-N 1 0 331.372 3.248 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[NH+]1CCC(CCCn2ccnc2)CC1 ZINC000361089898 457576570 /nfs/dbraw/zinc/57/65/70/457576570.db2.gz YULUFCWZAZHKSL-UHFFFAOYSA-N 1 0 328.416 3.484 20 5 EGBDRO C[C@@H]1[C@H](C)N(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC[N@H+]1C ZINC000361151385 457615687 /nfs/dbraw/zinc/61/56/87/457615687.db2.gz DPZIMDUWOQQFEB-KGLIPLIRSA-N 1 0 329.400 3.379 20 5 EGBDRO C[C@@H]1C[C@H](CCNc2ncc([N+](=O)[O-])s2)C[N@@H+]1Cc1ccccc1 ZINC000409730066 457615992 /nfs/dbraw/zinc/61/59/92/457615992.db2.gz GHIAEGIWPFNSSE-HIFRSBDPSA-N 1 0 346.456 3.186 20 5 EGBDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000361168087 457626352 /nfs/dbraw/zinc/62/63/52/457626352.db2.gz RRNQINIDSWKFJR-UONOGXRCSA-N 1 0 329.400 3.379 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCc3nc(C)ncc3C2)cc1[N+](=O)[O-] ZINC000370671250 457696818 /nfs/dbraw/zinc/69/68/18/457696818.db2.gz OVLGWEJTCQCOIK-BLLLJJGKSA-N 1 0 326.400 3.210 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+]([C@H]3CCc4ccc(F)cc43)C2)nc1 ZINC000361399045 457718188 /nfs/dbraw/zinc/71/81/88/457718188.db2.gz CDIZHWUQIVUATB-YOEHRIQHSA-N 1 0 342.374 3.303 20 5 EGBDRO COc1ccc(NC(=O)C[N@H+](C)[C@H]2CCC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000361468040 457741412 /nfs/dbraw/zinc/74/14/12/457741412.db2.gz DXQBXWNHVGEUEL-LBPRGKRZSA-N 1 0 335.404 3.052 20 5 EGBDRO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)CC1CCC1 ZINC000361483510 457746644 /nfs/dbraw/zinc/74/66/44/457746644.db2.gz DZFBNVHGZKSBMG-UHFFFAOYSA-N 1 0 335.404 3.054 20 5 EGBDRO CC(C)O[C@@H]1C[C@H]([NH2+][C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000361553082 457792169 /nfs/dbraw/zinc/79/21/69/457792169.db2.gz WHOADCGWTIXTCD-UHOFOFEASA-N 1 0 349.431 3.104 20 5 EGBDRO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000443643439 457797490 /nfs/dbraw/zinc/79/74/90/457797490.db2.gz VLGOOULCVADFOA-IHRRRGAJSA-N 1 0 349.431 3.298 20 5 EGBDRO C[C@@H]([NH2+][C@@H]1CCC(=O)NC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000358127481 457803089 /nfs/dbraw/zinc/80/30/89/457803089.db2.gz JVMYLISKVOYORR-VXGBXAGGSA-N 1 0 345.424 3.253 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)C1CCC(C)CC1 ZINC000411133252 457808558 /nfs/dbraw/zinc/80/85/58/457808558.db2.gz LYZMZFXQYMEEKQ-UHFFFAOYSA-N 1 0 349.431 3.443 20 5 EGBDRO Cc1cc([C@@H]2CCC[N@@H+]2CCC(=O)Nc2ccc([N+](=O)[O-])cc2)on1 ZINC000411175956 457821022 /nfs/dbraw/zinc/82/10/22/457821022.db2.gz VUAMAZCILUUDHS-HNNXBMFYSA-N 1 0 344.371 3.057 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H]1C1CCC1 ZINC000411225743 457835018 /nfs/dbraw/zinc/83/50/18/457835018.db2.gz HRAYWDQLKXBRQD-MRXNPFEDSA-N 1 0 347.415 3.197 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000411281483 457847335 /nfs/dbraw/zinc/84/73/35/457847335.db2.gz TYJGJHGOMRCGFU-BETUJISGSA-N 1 0 335.404 3.195 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+]([C@@H]3C[C@H]3c3cccc(F)c3)C2)nc1 ZINC000411372983 457868112 /nfs/dbraw/zinc/86/81/12/457868112.db2.gz GSKPIAVIEBHHRP-BHYGNILZSA-N 1 0 342.374 3.171 20 5 EGBDRO C[C@H]([NH2+]CCC(=O)NCC1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000411462230 457894993 /nfs/dbraw/zinc/89/49/93/457894993.db2.gz UFLZZTGYNVXVSH-AWEZNQCLSA-N 1 0 333.432 3.332 20 5 EGBDRO CC1(C)CCC[N@H+](CCNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000444618681 457920491 /nfs/dbraw/zinc/92/04/91/457920491.db2.gz OTLNUFZFYDZWSB-UHFFFAOYSA-N 1 0 345.399 3.193 20 5 EGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCOC2(CCOCC2)C1 ZINC000358311893 457926746 /nfs/dbraw/zinc/92/67/46/457926746.db2.gz ZXIFEPXBPWVOAF-WBVHZDCISA-N 1 0 348.443 3.234 20 5 EGBDRO CC[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCC[C@@H]1C ZINC000444660133 457931248 /nfs/dbraw/zinc/93/12/48/457931248.db2.gz RMMNXJWUWMBXRP-WMLDXEAASA-N 1 0 333.432 3.458 20 5 EGBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000371444046 457933052 /nfs/dbraw/zinc/93/30/52/457933052.db2.gz VKDKAEBXLMOIFG-HZPDHXFCSA-N 1 0 334.416 3.112 20 5 EGBDRO CC[C@@H]1CCCC[C@H]1[N@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000444678192 457936852 /nfs/dbraw/zinc/93/68/52/457936852.db2.gz QXDDESCARROFGL-RHSMWYFYSA-N 1 0 333.432 3.458 20 5 EGBDRO CC(C)c1ccc(C(=O)NCC[C@@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000458222287 457976566 /nfs/dbraw/zinc/97/65/66/457976566.db2.gz QMMBFAVBDWJWNI-AWEZNQCLSA-N 1 0 333.432 3.180 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1[C@@H](C)CCC1(C)C ZINC000411799847 457982380 /nfs/dbraw/zinc/98/23/80/457982380.db2.gz BODQUJAAJMZAMM-LBPRGKRZSA-N 1 0 335.404 3.195 20 5 EGBDRO CC(C)N(CC[NH+](C)C)c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000444830337 457986613 /nfs/dbraw/zinc/98/66/13/457986613.db2.gz VXAZYNWDWMHGTQ-UHFFFAOYSA-N 1 0 328.416 3.433 20 5 EGBDRO CCC[C@@H]([NH2+]C[C@]1(N(C)C)CCSC1)c1cccc([N+](=O)[O-])c1 ZINC000361972903 457986849 /nfs/dbraw/zinc/98/68/49/457986849.db2.gz USYDEZKTJSBLDN-IAGOWNOFSA-N 1 0 337.489 3.463 20 5 EGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](N2CCCC2=O)CC1 ZINC000412060099 458073954 /nfs/dbraw/zinc/07/39/54/458073954.db2.gz YZGXAAFZHDERBG-LSDHHAIUSA-N 1 0 331.416 3.133 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(CN3CCC[NH2+]CC3)o2)c(Cl)c1 ZINC000435375717 458125023 /nfs/dbraw/zinc/12/50/23/458125023.db2.gz NWOWZMHUZPIIJD-UHFFFAOYSA-N 1 0 335.791 3.304 20 5 EGBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000445996473 458126514 /nfs/dbraw/zinc/12/65/14/458126514.db2.gz QBNRQXNOXAAVKJ-XHSDSOJGSA-N 1 0 347.459 3.010 20 5 EGBDRO Cc1cc(C(=O)N2CCC[C@H]([NH+]3[C@@H](C)CC[C@@H]3C)C2)ccc1[N+](=O)[O-] ZINC000358650206 458127683 /nfs/dbraw/zinc/12/76/83/458127683.db2.gz NHEZCDMCLYXHAJ-ZOBUZTSGSA-N 1 0 345.443 3.381 20 5 EGBDRO Cc1cc(C(=O)N2CCC[C@H]([NH+]3[C@H](C)CC[C@H]3C)C2)ccc1[N+](=O)[O-] ZINC000358650203 458128266 /nfs/dbraw/zinc/12/82/66/458128266.db2.gz NHEZCDMCLYXHAJ-INMHGKMJSA-N 1 0 345.443 3.381 20 5 EGBDRO Cn1cc(C[N@@H+]2CC[C@H]3CCC[C@H]32)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000428464000 458149829 /nfs/dbraw/zinc/14/98/29/458149829.db2.gz WVIYGKKIFQKOQA-CXAGYDPISA-N 1 0 326.400 3.370 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH+]3CC([C@@H]4CCOC4)C3)o2)c1 ZINC000376022627 458167577 /nfs/dbraw/zinc/16/75/77/458167577.db2.gz UBYQYDZHIGBEGF-CQSZACIVSA-N 1 0 328.368 3.323 20 5 EGBDRO C[NH+](C)[C@@H]1CCCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000369362932 458188113 /nfs/dbraw/zinc/18/81/13/458188113.db2.gz NYWAHZIEJBMSAZ-GFCCVEGCSA-N 1 0 342.237 3.278 20 5 EGBDRO O=[N+]([O-])c1cc2c(ncnc2N[C@@H]2CC[N@@H+](C3CCCC3)C2)s1 ZINC000376217795 458238038 /nfs/dbraw/zinc/23/80/38/458238038.db2.gz GKYLZDFSPBPJMQ-SNVBAGLBSA-N 1 0 333.417 3.028 20 5 EGBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)c1cccc(O)c1 ZINC000446891908 458241993 /nfs/dbraw/zinc/24/19/93/458241993.db2.gz FEJJGCUQHSYUCS-OLZOCXBDSA-N 1 0 343.383 3.368 20 5 EGBDRO C[C@@H](C1CCCCC1)[N@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000447393453 458292589 /nfs/dbraw/zinc/29/25/89/458292589.db2.gz KBGMWODOJOOJNX-AWEZNQCLSA-N 1 0 345.443 3.385 20 5 EGBDRO CO[C@H](C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000447564657 458313037 /nfs/dbraw/zinc/31/30/37/458313037.db2.gz YMIBQKMQSFPMRD-GVDBMIGSSA-N 1 0 344.415 3.252 20 5 EGBDRO O=[N+]([O-])c1ccc(C[N@H+](CCCO[C@@H]2CCCCO2)C2CC2)cc1 ZINC000429696971 458359945 /nfs/dbraw/zinc/35/99/45/458359945.db2.gz HWXBBSGRLJONKF-GOSISDBHSA-N 1 0 334.416 3.493 20 5 EGBDRO CC[C@@H]1CCC[C@H]1[NH2+]CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000429775415 458369525 /nfs/dbraw/zinc/36/95/25/458369525.db2.gz WYZBXAUUQLJBST-TZMCWYRMSA-N 1 0 335.404 3.100 20 5 EGBDRO C[C@H](CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000429835091 458375906 /nfs/dbraw/zinc/37/59/06/458375906.db2.gz WNHHJDYMPACBPF-HUUCEWRRSA-N 1 0 347.459 3.109 20 5 EGBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000430737391 458486027 /nfs/dbraw/zinc/48/60/27/458486027.db2.gz WWQOIJBEWBYDBG-VXGBXAGGSA-N 1 0 341.358 3.337 20 5 EGBDRO C[C@@H]1CN(C(=O)c2cc3ccccc3c3cccnc23)C[C@@]1(C)C[NH3+] ZINC000423983055 458530606 /nfs/dbraw/zinc/53/06/06/458530606.db2.gz LFNIHLBFSJCHEP-SPLOXXLWSA-N 1 0 333.435 3.445 20 5 EGBDRO CC(C)C[C@H]1CCC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000469243801 458561699 /nfs/dbraw/zinc/56/16/99/458561699.db2.gz TUBYDNMRYZJDLT-WBVHZDCISA-N 1 0 336.432 3.093 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000470179016 458621706 /nfs/dbraw/zinc/62/17/06/458621706.db2.gz RDYALZYMKDJVMY-MUMAZLPKSA-N 1 0 329.444 3.416 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000470170698 458622032 /nfs/dbraw/zinc/62/20/32/458622032.db2.gz ZFIGHXAIUJNREK-NZCNEKLBSA-N 1 0 329.444 3.414 20 5 EGBDRO O=[N+]([O-])c1ccccc1OCC[NH2+][C@@H]1CCCC[C@H]1OC(F)F ZINC000502592372 458660334 /nfs/dbraw/zinc/66/03/34/458660334.db2.gz PNWBGIMEMUEPCW-DGCLKSJQSA-N 1 0 330.331 3.114 20 5 EGBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000547321042 458720097 /nfs/dbraw/zinc/72/00/97/458720097.db2.gz QBDUSDPRXDHNGL-SJORKVTESA-N 1 0 347.459 3.010 20 5 EGBDRO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000471813923 458736016 /nfs/dbraw/zinc/73/60/16/458736016.db2.gz ZQEDNCABRWVQSP-PBHICJAKSA-N 1 0 341.411 3.318 20 5 EGBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000472471034 458798432 /nfs/dbraw/zinc/79/84/32/458798432.db2.gz QKLPLQBCOVJRGA-AWEZNQCLSA-N 1 0 337.851 3.412 20 5 EGBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000457080146 458856593 /nfs/dbraw/zinc/85/65/93/458856593.db2.gz CEYIVWXZYZEWEG-SJLPKXTDSA-N 1 0 347.459 3.105 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000457097481 458865574 /nfs/dbraw/zinc/86/55/74/458865574.db2.gz RYBWCTQQOOSFQJ-HNNXBMFYSA-N 1 0 333.432 3.075 20 5 EGBDRO Cc1cccn2cc(CC[NH2+][C@H]3CCc4c3cccc4[N+](=O)[O-])nc12 ZINC000594496903 459061895 /nfs/dbraw/zinc/06/18/95/459061895.db2.gz ZPHNYZCQVRRFKF-KRWDZBQOSA-N 1 0 336.395 3.371 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(OC(C)C)CC1 ZINC000532633334 459121018 /nfs/dbraw/zinc/12/10/18/459121018.db2.gz RPKVGDJBMUYJRY-UHFFFAOYSA-N 1 0 349.431 3.121 20 5 EGBDRO CSCC1(CC[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000594715944 459138374 /nfs/dbraw/zinc/13/83/74/459138374.db2.gz DTXQSWJZXRVCQT-UHFFFAOYSA-N 1 0 337.445 3.046 20 5 EGBDRO COC[C@H](C)Oc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000594926938 459179190 /nfs/dbraw/zinc/17/91/90/459179190.db2.gz XZKPRZNXBRPTIE-AWEZNQCLSA-N 1 0 330.384 3.298 20 5 EGBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]Cc2ccnn2CC2CC2)cc1 ZINC000594929962 459180014 /nfs/dbraw/zinc/18/00/14/459180014.db2.gz QTOIRDUKILSPJT-UHFFFAOYSA-N 1 0 328.416 3.314 20 5 EGBDRO Cc1cc(C)cc(C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c1 ZINC000594972844 459201296 /nfs/dbraw/zinc/20/12/96/459201296.db2.gz DVLJSLIVMROHJA-UHFFFAOYSA-N 1 0 328.368 3.273 20 5 EGBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C12CCC2 ZINC000590756297 459206395 /nfs/dbraw/zinc/20/63/95/459206395.db2.gz YCNOMNCORGAPGU-HUUCEWRRSA-N 1 0 331.372 3.173 20 5 EGBDRO CNC(=O)CC1(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCCCC1 ZINC000594995723 459210555 /nfs/dbraw/zinc/21/05/55/459210555.db2.gz KAVPKKWXMVBYIX-CLFYSBASSA-N 1 0 345.443 3.284 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCC(=O)N1CCCCCC1 ZINC000595012941 459216003 /nfs/dbraw/zinc/21/60/03/459216003.db2.gz GJPSSWMIXKLBBZ-CQSZACIVSA-N 1 0 349.431 3.047 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H](O)CCc1ccccc1 ZINC000595034519 459223647 /nfs/dbraw/zinc/22/36/47/459223647.db2.gz WSJDYHPWSNFKLP-PBHICJAKSA-N 1 0 344.411 3.248 20 5 EGBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H]2CCCCC2(C)C)c([N+](=O)[O-])c1 ZINC000481188922 459238832 /nfs/dbraw/zinc/23/88/32/459238832.db2.gz LKUKFVKGKQSSHU-MRXNPFEDSA-N 1 0 349.431 3.490 20 5 EGBDRO CO[C@H](C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)C1CCCC1 ZINC000595095036 459243514 /nfs/dbraw/zinc/24/35/14/459243514.db2.gz OOIDQUGKMYYPLI-HRCADAONSA-N 1 0 336.436 3.070 20 5 EGBDRO Cc1c(CC(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)cccc1[N+](=O)[O-] ZINC000533499143 459244723 /nfs/dbraw/zinc/24/47/23/459244723.db2.gz VGKPTPIQJLUXKF-UHFFFAOYSA-N 1 0 347.459 3.025 20 5 EGBDRO CC[C@H]([NH2+]CC(C)(C)[C@@]1(O)CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000595099967 459245369 /nfs/dbraw/zinc/24/53/69/459245369.db2.gz HMVQXFGIDZJTAC-FUHWJXTLSA-N 1 0 336.432 3.203 20 5 EGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@H]1CCN1Cc1ccccc1 ZINC000595101950 459246165 /nfs/dbraw/zinc/24/61/65/459246165.db2.gz GORANYVXWGOEHU-APWZRJJASA-N 1 0 337.423 3.446 20 5 EGBDRO Cc1c(CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000481489552 459256152 /nfs/dbraw/zinc/25/61/52/459256152.db2.gz IAOUKKXZIAYLPB-INIZCTEOSA-N 1 0 345.443 3.174 20 5 EGBDRO Cc1ccc(NC(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000595229993 459259657 /nfs/dbraw/zinc/25/96/57/459259657.db2.gz KEVBYHFWIZDYOE-HNNXBMFYSA-N 1 0 346.431 3.147 20 5 EGBDRO O=[N+]([O-])c1cc(F)ccc1C[NH+]1C[C@@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000595292646 459269402 /nfs/dbraw/zinc/26/94/02/459269402.db2.gz CBJOGWRBTHNQJR-HZPDHXFCSA-N 1 0 341.386 3.302 20 5 EGBDRO C[C@@H](C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000581989529 459288024 /nfs/dbraw/zinc/28/80/24/459288024.db2.gz RXNSLRTWIMDYGT-KFWWJZLASA-N 1 0 345.443 3.347 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(NC[C@@H](Cc2ccccc2)[NH+](C)C)c1 ZINC000534524302 459331194 /nfs/dbraw/zinc/33/11/94/459331194.db2.gz DNKKGDQHISWKQX-OAHLLOKOSA-N 1 0 329.400 3.188 20 5 EGBDRO C[C@H](C[N@H+](C)Cc1ccc(F)cc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000595533358 459337249 /nfs/dbraw/zinc/33/72/49/459337249.db2.gz KFLVUUGQBSCLMM-LLVKDONJSA-N 1 0 326.368 3.144 20 5 EGBDRO CC(C)(C)[C@H]1CCC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000483234173 459352672 /nfs/dbraw/zinc/35/26/72/459352672.db2.gz JJVIMXRRKOUNND-GJZGRUSLSA-N 1 0 336.432 3.093 20 5 EGBDRO C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@@H](CO)Cc1ccccc1 ZINC000595597543 459359348 /nfs/dbraw/zinc/35/93/48/459359348.db2.gz RHFFUBFLRNMQRR-MRXNPFEDSA-N 1 0 334.803 3.284 20 5 EGBDRO CC(C)(C)[N@@H+]1CCCN(c2ccc([N+](=O)[O-])c3ncccc23)CC1 ZINC000560814687 459399046 /nfs/dbraw/zinc/39/90/46/459399046.db2.gz JVGVLIBMNVQNFD-UHFFFAOYSA-N 1 0 328.416 3.454 20 5 EGBDRO CCCCO[C@@H]1C[C@H]([NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])C1(C)C ZINC000569134070 459402463 /nfs/dbraw/zinc/40/24/63/459402463.db2.gz DXPHNPMVJKVKCH-JKSUJKDBSA-N 1 0 349.431 3.107 20 5 EGBDRO O=[N+]([O-])c1cccc(OCC[NH+]2CCC([C@H]3CCCCO3)CC2)c1 ZINC000595785259 459439940 /nfs/dbraw/zinc/43/99/40/459439940.db2.gz CWPOVMLBPGMDIZ-GOSISDBHSA-N 1 0 334.416 3.255 20 5 EGBDRO O=[N+]([O-])c1ccccc1OCC[NH+]1CCC([C@H]2CCCCO2)CC1 ZINC000595788367 459441011 /nfs/dbraw/zinc/44/10/11/459441011.db2.gz MSXMOIRVZSFWAA-QGZVFWFLSA-N 1 0 334.416 3.255 20 5 EGBDRO C[C@H]1CCN(CC[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000525288212 459441210 /nfs/dbraw/zinc/44/12/10/459441210.db2.gz FLOGRPXLOFEXSP-AWEZNQCLSA-N 1 0 329.400 3.286 20 5 EGBDRO O=[N+]([O-])c1ccccc1OCC[NH+]1CCC([C@@H]2CCCCO2)CC1 ZINC000595788366 459441749 /nfs/dbraw/zinc/44/17/49/459441749.db2.gz MSXMOIRVZSFWAA-KRWDZBQOSA-N 1 0 334.416 3.255 20 5 EGBDRO C[C@H]1C[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC(C)(C)C1 ZINC000541320997 459443726 /nfs/dbraw/zinc/44/37/26/459443726.db2.gz OZLDLXQPNOLQFM-CYBMUJFWSA-N 1 0 347.415 3.261 20 5 EGBDRO C[C@@H](C(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000561536148 459461889 /nfs/dbraw/zinc/46/18/89/459461889.db2.gz WYSYBFYBTZJSLA-HUUCEWRRSA-N 1 0 345.443 3.031 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](COC(N)=O)Cc1ccccc1 ZINC000497302133 459522141 /nfs/dbraw/zinc/52/21/41/459522141.db2.gz UQXKCNJQGQLDTA-INIZCTEOSA-N 1 0 343.383 3.113 20 5 EGBDRO C[C@]1(Cc2cccc(F)c2)CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000592138545 459534303 /nfs/dbraw/zinc/53/43/03/459534303.db2.gz SWVRUYAROZAXFR-QGZVFWFLSA-N 1 0 332.379 3.028 20 5 EGBDRO Cc1cc(N2CCC(OCC[NH+]3CCCC3)CC2)c([N+](=O)[O-])s1 ZINC000596145308 459535556 /nfs/dbraw/zinc/53/55/56/459535556.db2.gz OPLADLUWDHXVJQ-UHFFFAOYSA-N 1 0 339.461 3.046 20 5 EGBDRO C[N@@H+]1CCC[C@H](CNc2cc[nH]c(=O)c2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000596147136 459537669 /nfs/dbraw/zinc/53/76/69/459537669.db2.gz UOVCXOBHBUFQTE-BXUZGUMPSA-N 1 0 348.428 3.252 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000526063086 459541938 /nfs/dbraw/zinc/54/19/38/459541938.db2.gz RNFZXMQPWTYBJJ-HAZIXKIPSA-N 1 0 343.427 3.085 20 5 EGBDRO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)CC[NH2+]1 ZINC000592240385 459558203 /nfs/dbraw/zinc/55/82/03/459558203.db2.gz MVDJGXCQSNLHMX-GFCCVEGCSA-N 1 0 349.456 3.063 20 5 EGBDRO O=c1[nH]ccc(S[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000596275528 459581900 /nfs/dbraw/zinc/58/19/00/459581900.db2.gz UCOMDIPOGSDTAW-CQSZACIVSA-N 1 0 345.424 3.452 20 5 EGBDRO C[C@H](C[NH+]1CCC(C)CC1)Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000596487694 459653824 /nfs/dbraw/zinc/65/38/24/459653824.db2.gz JTOAQOUJSLVXDC-CYBMUJFWSA-N 1 0 346.431 3.012 20 5 EGBDRO COCc1cc([N+](=O)[O-])ccc1NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000596557777 459676224 /nfs/dbraw/zinc/67/62/24/459676224.db2.gz LBIBQVPAFWCKJS-GOSISDBHSA-N 1 0 341.411 3.428 20 5 EGBDRO O=C(CC[NH2+][C@@H]1CCCc2occc21)Nc1ccccc1[N+](=O)[O-] ZINC000562986825 459686755 /nfs/dbraw/zinc/68/67/55/459686755.db2.gz SBJPHTOONBPYCA-CYBMUJFWSA-N 1 0 329.356 3.184 20 5 EGBDRO CC1(C)CN(CCOc2cccc([N+](=O)[O-])c2)[C@H]1c1cccnc1 ZINC000596595389 459690137 /nfs/dbraw/zinc/69/01/37/459690137.db2.gz YYTJGRZCIGUAKX-KRWDZBQOSA-N 1 0 327.384 3.452 20 5 EGBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H]1CCCc2sccc21 ZINC000563014247 459696214 /nfs/dbraw/zinc/69/62/14/459696214.db2.gz RNCWPIIIJMZFJS-OCCSQVGLSA-N 1 0 348.424 3.063 20 5 EGBDRO Cc1ccc(NC(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000596639561 459710469 /nfs/dbraw/zinc/71/04/69/459710469.db2.gz VUYVFNHZJHZFRE-OAHLLOKOSA-N 1 0 346.431 3.147 20 5 EGBDRO C[C@@H]1CN(C(C)(C)C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C[C@H](C)O1 ZINC000574054064 459773724 /nfs/dbraw/zinc/77/37/24/459773724.db2.gz SIRSZKADACEKKI-VBQJREDUSA-N 1 0 347.459 3.060 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000596867026 459782274 /nfs/dbraw/zinc/78/22/74/459782274.db2.gz OAZSAPDEBKGWLQ-AWEZNQCLSA-N 1 0 348.447 3.454 20 5 EGBDRO C[C@@H]1CN(C)[C@H](C)[C@@H](C)N1C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000593188020 459800794 /nfs/dbraw/zinc/80/07/94/459800794.db2.gz UDDDMAZAPVFBEE-IJLUTSLNSA-N 1 0 347.440 3.363 20 5 EGBDRO COc1ccc(C[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])c(OC)n1 ZINC000584810907 459805891 /nfs/dbraw/zinc/80/58/91/459805891.db2.gz VKDPZWNSGZBOHK-CYBMUJFWSA-N 1 0 345.399 3.118 20 5 EGBDRO COCC1(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CCCCC1 ZINC000566130009 459811352 /nfs/dbraw/zinc/81/13/52/459811352.db2.gz YLAQXUZNVUYNSZ-UHFFFAOYSA-N 1 0 349.431 3.110 20 5 EGBDRO CC1CC[NH+](CCc2cccc(Nc3ncc([N+](=O)[O-])cn3)c2)CC1 ZINC000545474194 459834228 /nfs/dbraw/zinc/83/42/28/459834228.db2.gz DXDCENPDIKGAAP-UHFFFAOYSA-N 1 0 341.415 3.403 20 5 EGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]Cc1ccnc(N2CCCC2)c1 ZINC000574583099 459837183 /nfs/dbraw/zinc/83/71/83/459837183.db2.gz DMONTZMAKDKOMX-KRWDZBQOSA-N 1 0 338.411 3.367 20 5 EGBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccc2[nH]c(=O)oc2c1 ZINC000586790302 459874260 /nfs/dbraw/zinc/87/42/60/459874260.db2.gz OKXYVUGBOYUJMG-NSHDSACASA-N 1 0 327.340 3.335 20 5 EGBDRO C[C@@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@]1(C)CO ZINC000597236129 459888639 /nfs/dbraw/zinc/88/86/39/459888639.db2.gz NZMRMOSKWVRWHA-FZKQIMNGSA-N 1 0 330.384 3.305 20 5 EGBDRO CCOC(=O)[C@]1(C)CCC[C@@H]1[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000597238863 459889783 /nfs/dbraw/zinc/88/97/83/459889783.db2.gz JWTSVEADSFFOTH-QJWRSFSASA-N 1 0 332.400 3.320 20 5 EGBDRO CCOC(=O)[C@]1(C)CCC[C@@H]1[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000597238861 459890220 /nfs/dbraw/zinc/89/02/20/459890220.db2.gz JWTSVEADSFFOTH-NKAACUPNSA-N 1 0 332.400 3.320 20 5 EGBDRO COc1ccc2c(c1)CCC[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000609134010 459907360 /nfs/dbraw/zinc/90/73/60/459907360.db2.gz XZXRKXBPURGCLC-UHFFFAOYSA-N 1 0 342.395 3.431 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000575039030 459913075 /nfs/dbraw/zinc/91/30/75/459913075.db2.gz MPQRQZSRGMVORL-UHFFFAOYSA-N 1 0 339.395 3.418 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3cccc4ncccc34)C2)nc1 ZINC000602476205 459957668 /nfs/dbraw/zinc/95/76/68/459957668.db2.gz WIXGIHDOXMBEJT-OAHLLOKOSA-N 1 0 349.394 3.224 20 5 EGBDRO CC1(C)C[N@@H+](C2(CNc3cccnc3[N+](=O)[O-])CCCCC2)CCO1 ZINC000609417311 459961153 /nfs/dbraw/zinc/96/11/53/459961153.db2.gz ULXUMKNPDPWXIR-UHFFFAOYSA-N 1 0 348.447 3.215 20 5 EGBDRO CN(C)[C@@H](C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)c1ccsc1 ZINC000602513407 459976484 /nfs/dbraw/zinc/97/64/84/459976484.db2.gz XMTIHGGRDUAWOQ-AWEZNQCLSA-N 1 0 346.412 3.190 20 5 EGBDRO CC[C@H](O)CCC[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602552034 459993550 /nfs/dbraw/zinc/99/35/50/459993550.db2.gz RMYBTBYYMVMEIC-QMMMGPOBSA-N 1 0 337.239 3.060 20 5 EGBDRO C[C@@H](C[C@@H]1CCOC1)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602566597 459999812 /nfs/dbraw/zinc/99/98/12/459999812.db2.gz FAXVYJQUDDBGCP-IUCAKERBSA-N 1 0 349.250 3.324 20 5 EGBDRO CC(C)c1ccc(C(=O)NCC23CCC[NH+]2CCC3)cc1[N+](=O)[O-] ZINC000597588781 460001785 /nfs/dbraw/zinc/00/17/85/460001785.db2.gz OWHBGJVZHRPHJP-UHFFFAOYSA-N 1 0 331.416 3.076 20 5 EGBDRO C[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CCO1 ZINC000602577115 460005985 /nfs/dbraw/zinc/00/59/85/460005985.db2.gz RYSQJLJOCDBMEI-SFYZADRCSA-N 1 0 335.223 3.076 20 5 EGBDRO Cc1ccsc1CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602579682 460006864 /nfs/dbraw/zinc/00/68/64/460006864.db2.gz AKQZTRYAQQFYAP-UHFFFAOYSA-N 1 0 346.456 3.161 20 5 EGBDRO CC[C@@H]([NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)[C@@H]1CCCO1 ZINC000602582282 460008937 /nfs/dbraw/zinc/00/89/37/460008937.db2.gz VGOSTNWUDMLPAX-MNOVXSKESA-N 1 0 349.250 3.466 20 5 EGBDRO CO[C@@H]1CCC[C@H]1C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602584217 460009201 /nfs/dbraw/zinc/00/92/01/460009201.db2.gz YIJAXFGMRJTIPM-GZMMTYOYSA-N 1 0 349.250 3.324 20 5 EGBDRO CC(C)C[C@H]1C[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CCO1 ZINC000602585425 460010841 /nfs/dbraw/zinc/01/08/41/460010841.db2.gz QSUWTCLACIGJEB-JSGCOSHPSA-N 1 0 333.388 3.419 20 5 EGBDRO C[C@@]1([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CCCOC1 ZINC000602606787 460019517 /nfs/dbraw/zinc/01/95/17/460019517.db2.gz XHRSNSISAGMDSB-LLVKDONJSA-N 1 0 335.223 3.078 20 5 EGBDRO C[C@@H]1OCC[C@@]1(C)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602611614 460022115 /nfs/dbraw/zinc/02/21/15/460022115.db2.gz YARDFPHMMWYONY-WRWORJQWSA-N 1 0 335.223 3.076 20 5 EGBDRO CC(C)C[NH+]1CCC(Nc2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000609849817 460029140 /nfs/dbraw/zinc/02/91/40/460029140.db2.gz MVTUMEZPIJPVOY-UHFFFAOYSA-N 1 0 329.404 3.070 20 5 EGBDRO Cc1ccc(CC[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000609894177 460037255 /nfs/dbraw/zinc/03/72/55/460037255.db2.gz LYNXCWZTQMPOMU-UHFFFAOYSA-N 1 0 325.412 3.268 20 5 EGBDRO CC(C)(C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000610064670 460057823 /nfs/dbraw/zinc/05/78/23/460057823.db2.gz OVECDXSHEKMXKZ-HNNXBMFYSA-N 1 0 345.443 3.006 20 5 EGBDRO CC[C@@](C)(C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)OC ZINC000602677632 460062198 /nfs/dbraw/zinc/06/21/98/460062198.db2.gz ZSMWBPRSNNQIMI-NSHDSACASA-N 1 0 337.239 3.324 20 5 EGBDRO CO[C@H](C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)C1CCOCC1 ZINC000602685438 460065007 /nfs/dbraw/zinc/06/50/07/460065007.db2.gz PERCLXPFPUZGLG-IEBWSBKVSA-N 1 0 348.443 3.216 20 5 EGBDRO C[C@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)CC(F)(F)F ZINC000602690079 460067412 /nfs/dbraw/zinc/06/74/12/460067412.db2.gz KYCDYMXCXSWUDR-NSHDSACASA-N 1 0 346.353 3.137 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594057763 460079280 /nfs/dbraw/zinc/07/92/80/460079280.db2.gz ACQNJDGFWVQCBP-HOCLYGCPSA-N 1 0 332.404 3.042 20 5 EGBDRO Cc1ccc(NC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000594059845 460081440 /nfs/dbraw/zinc/08/14/40/460081440.db2.gz XFIARAJHUUKSRJ-HUUCEWRRSA-N 1 0 332.404 3.042 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000597921520 460112636 /nfs/dbraw/zinc/11/26/36/460112636.db2.gz GOVPGHWWFAYNQS-CQSZACIVSA-N 1 0 333.432 3.123 20 5 EGBDRO Cc1ccc([C@@H]2C[C@H](C)CC[N@@H+]2CCn2c(C)ncc2[N+](=O)[O-])o1 ZINC000602788461 460125523 /nfs/dbraw/zinc/12/55/23/460125523.db2.gz XVUDXYYFFBITMD-DOMZBBRYSA-N 1 0 332.404 3.474 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](C)c1ccc(F)cc1Cl ZINC000602804527 460137730 /nfs/dbraw/zinc/13/77/30/460137730.db2.gz HSCRSVQVTQUQJT-VIFPVBQESA-N 1 0 326.759 3.243 20 5 EGBDRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000594199302 460147295 /nfs/dbraw/zinc/14/72/95/460147295.db2.gz JKPJJDILEPNAPI-GJZGRUSLSA-N 1 0 343.383 3.088 20 5 EGBDRO O=C1Nc2ccccc2[C@]12CC[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C2 ZINC000614660639 460195800 /nfs/dbraw/zinc/19/58/00/460195800.db2.gz YTJROTHCFOGJBW-MWGFUINXSA-N 1 0 349.390 3.204 20 5 EGBDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000610929534 460262125 /nfs/dbraw/zinc/26/21/25/460262125.db2.gz SVMRWUGXRJFEBW-HNNXBMFYSA-N 1 0 346.818 3.354 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3cc4ccccc4[nH]3)C2)nc1 ZINC000619073163 460262507 /nfs/dbraw/zinc/26/25/07/460262507.db2.gz IZEDCERKJUAYNB-CQSZACIVSA-N 1 0 337.383 3.158 20 5 EGBDRO C[N@H+](Cc1cn(Cc2ccc(F)cc2[N+](=O)[O-])nn1)C1CCCCC1 ZINC000603224950 460267843 /nfs/dbraw/zinc/26/78/43/460267843.db2.gz WPARJPPWGDMSJC-UHFFFAOYSA-N 1 0 347.394 3.138 20 5 EGBDRO COc1ccc(-c2ccc(C[NH2+][C@@H](CO)CC3CC3)o2)c([N+](=O)[O-])c1 ZINC000611108218 460289873 /nfs/dbraw/zinc/28/98/73/460289873.db2.gz IDPPFUYCCBEKKQ-CYBMUJFWSA-N 1 0 346.383 3.114 20 5 EGBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](C)C2(CCC2)C1 ZINC000611303392 460333937 /nfs/dbraw/zinc/33/39/37/460333937.db2.gz ADKTYEUWOGKXQU-ZIAGYGMSSA-N 1 0 331.416 3.434 20 5 EGBDRO Cc1cc(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])ncn1 ZINC000611337290 460339490 /nfs/dbraw/zinc/33/94/90/460339490.db2.gz VHPKGSPANAGGJG-RHSMWYFYSA-N 1 0 326.400 3.194 20 5 EGBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)c1 ZINC000611350471 460343596 /nfs/dbraw/zinc/34/35/96/460343596.db2.gz NMLMXFBJMBKJQU-HOTGVXAUSA-N 1 0 334.416 3.112 20 5 EGBDRO COc1ccc(C[N@@H+]2CCCN(c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000603869597 460351703 /nfs/dbraw/zinc/35/17/03/460351703.db2.gz DJCCCVISBWUFMF-UHFFFAOYSA-N 1 0 341.411 3.316 20 5 EGBDRO CNC(=O)[C@H](CC(C)C)[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000611477035 460372403 /nfs/dbraw/zinc/37/24/03/460372403.db2.gz NVJKUHXTPSAWAS-XIRDDKMYSA-N 1 0 347.459 3.056 20 5 EGBDRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000619567020 460385310 /nfs/dbraw/zinc/38/53/10/460385310.db2.gz IKLSSGMJVNVMCV-CYBMUJFWSA-N 1 0 347.440 3.366 20 5 EGBDRO C[C@@H](NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000604551710 460444235 /nfs/dbraw/zinc/44/42/35/460444235.db2.gz AVRIWUHGMOWGFI-CYBMUJFWSA-N 1 0 347.459 3.352 20 5 EGBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CCC(C2CCCC2)CC1 ZINC000612085932 460533706 /nfs/dbraw/zinc/53/37/06/460533706.db2.gz VHMLGAOYIUNZCZ-QGZVFWFLSA-N 1 0 348.443 3.237 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181478936 534335909 /nfs/dbraw/zinc/33/59/09/534335909.db2.gz ADJZXUCKMWEURN-LSDHHAIUSA-N 1 0 345.443 3.286 20 5 EGBDRO O=[N+]([O-])c1cccc(OCC[NH+]2CCC(c3ccncc3)CC2)c1 ZINC000191610226 534886235 /nfs/dbraw/zinc/88/62/35/534886235.db2.gz MDQOPRNYAXVGIQ-UHFFFAOYSA-N 1 0 327.384 3.248 20 5 EGBDRO CC1([C@@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C2)OCCO1 ZINC000183901887 528052101 /nfs/dbraw/zinc/05/21/01/528052101.db2.gz XMTQMLGLUPNLNH-CYBMUJFWSA-N 1 0 340.807 3.223 20 5 EGBDRO CC1([C@@H]2CCC[N@H+](Cc3cc([N+](=O)[O-])ccc3Cl)C2)OCCO1 ZINC000183828115 528053013 /nfs/dbraw/zinc/05/30/13/528053013.db2.gz ZJKSLGOTROMGCN-CYBMUJFWSA-N 1 0 340.807 3.223 20 5 EGBDRO CCC[C@H]([NH2+]C1CCN(CCOC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000154856062 528213275 /nfs/dbraw/zinc/21/32/75/528213275.db2.gz VPLYAYWVNSKDPL-SFHVURJKSA-N 1 0 335.448 3.136 20 5 EGBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000353468936 535776977 /nfs/dbraw/zinc/77/69/77/535776977.db2.gz ASSXXLCKJRAYNC-UONOGXRCSA-N 1 0 333.432 3.273 20 5 EGBDRO CC[C@@H]([NH2+][C@@H](C)C(=O)N1CCC(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000178678305 535807853 /nfs/dbraw/zinc/80/78/53/535807853.db2.gz UKNJSONUDYEWPX-WMLDXEAASA-N 1 0 333.432 3.283 20 5 EGBDRO COc1ccc(NC(=O)CC[N@@H+]2CCCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000187936563 536759676 /nfs/dbraw/zinc/75/96/76/536759676.db2.gz DGIHZUSTPJVPTJ-CYBMUJFWSA-N 1 0 335.404 3.054 20 5 EGBDRO COc1ccc(NC(=O)CC[N@@H+]2CCCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000187936586 536759842 /nfs/dbraw/zinc/75/98/42/536759842.db2.gz DGIHZUSTPJVPTJ-ZDUSSCGKSA-N 1 0 335.404 3.054 20 5 EGBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccc([S@](C)=O)cc1 ZINC000268900391 547340308 /nfs/dbraw/zinc/34/03/08/547340308.db2.gz CNZMIYLBQHPYQA-ZLOXQWCVSA-N 1 0 332.425 3.226 20 5 EGBDRO C[C@@H](Cc1cnccn1)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000726605297 574563410 /nfs/dbraw/zinc/56/34/10/574563410.db2.gz BOMLBYRHIAYKOK-ZDUSSCGKSA-N 1 0 338.367 3.366 20 5 EGBDRO CCO[C@@H]1C[C@@H]([N@H+](C)Cn2ncc3cc([N+](=O)[O-])ccc32)C1(C)C ZINC000740862963 576631177 /nfs/dbraw/zinc/63/11/77/576631177.db2.gz IYHSDEUREJRFLJ-HZPDHXFCSA-N 1 0 332.404 3.037 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CCOC3CCCCCC3)CC2)cc1 ZINC000740873985 576632474 /nfs/dbraw/zinc/63/24/74/576632474.db2.gz SBLJSCLEXSTYTE-UHFFFAOYSA-N 1 0 347.459 3.456 20 5 EGBDRO C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C ZINC000741791178 576722031 /nfs/dbraw/zinc/72/20/31/576722031.db2.gz QOTUCLIGZXWPOB-MNOVXSKESA-N 1 0 325.796 3.307 20 5 EGBDRO O=[N+]([O-])c1ccc(NC(=S)N2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000741872613 576729797 /nfs/dbraw/zinc/72/97/97/576729797.db2.gz UJWAHURZGAVFHG-CQSZACIVSA-N 1 0 348.472 3.099 20 5 EGBDRO C[C@@H]([NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000820413524 606619061 /nfs/dbraw/zinc/61/90/61/606619061.db2.gz RJTFCSZGUVMJIZ-VXGBXAGGSA-N 1 0 338.371 3.187 20 5 EGBDRO COc1cc(NCC[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc(OC)c1 ZINC000873095937 1297271424 /nfs/dbraw/zinc/27/14/24/1297271424.db2.gz JNYVUBOSNMROCA-UHFFFAOYSA-N 1 0 345.399 3.122 20 5 EGBDRO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCNC(=O)OC(C)(C)C ZINC000835077301 1293201752 /nfs/dbraw/zinc/20/17/52/1293201752.db2.gz AUFMPZXNEZLYCJ-CLFYSBASSA-N 1 0 335.404 3.065 20 5 EGBDRO CC1(C)C[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCO1 ZINC000119246733 1293260917 /nfs/dbraw/zinc/26/09/17/1293260917.db2.gz NIXNCHVTEFKKIP-OAHLLOKOSA-N 1 0 333.432 3.111 20 5 EGBDRO CC[C@H]([NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000119816200 1293289489 /nfs/dbraw/zinc/28/94/89/1293289489.db2.gz VDNRACGFHQLWHA-GXTWGEPZSA-N 1 0 343.221 3.405 20 5 EGBDRO COc1ccc(CNCCC[N@H+](C)C2CCCCC2)cc1[N+](=O)[O-] ZINC000127454965 1293565001 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CZXIERYANMSZQA-AWEZNQCLSA-N 1 0 343.221 3.358 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)CO[C@@H]1CCOC1 ZINC000872041272 1296690072 /nfs/dbraw/zinc/69/00/72/1296690072.db2.gz GUHCWDVJMXZPMK-SGMGOOAPSA-N 1 0 340.445 3.161 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC1([S@@](C)=O)CCC1 ZINC000872067578 1296713944 /nfs/dbraw/zinc/71/39/44/1296713944.db2.gz BIWIVZNKDVYLDK-RKFFSXRUSA-N 1 0 342.486 3.269 20 5 EGBDRO CCn1cccc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2SC)c1=O ZINC000872067933 1296715221 /nfs/dbraw/zinc/71/52/21/1296715221.db2.gz SRSHWNRMHYNVNK-LBPRGKRZSA-N 1 0 347.440 3.349 20 5 EGBDRO CCc1ccc([C@@H]([NH2+]C[C@H]2C[C@H](O)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000872125814 1296750926 /nfs/dbraw/zinc/75/09/26/1296750926.db2.gz HBGGYCGKNMWLTJ-QITLCBANSA-N 1 0 330.384 3.200 20 5 EGBDRO O=[N+]([O-])c1c(Br)cccc1N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000312617370 1297117840 /nfs/dbraw/zinc/11/78/40/1297117840.db2.gz GKCYRTLFASNODL-DGCLKSJQSA-N 1 0 340.221 3.396 20 5 EGBDRO Nc1cc(F)cc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000873288384 1297410994 /nfs/dbraw/zinc/41/09/94/1297410994.db2.gz DKMHRKPDUSQLBN-UHFFFAOYSA-N 1 0 344.390 3.075 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2ccc(CN3CC[C@]4(CCC[NH2+]4)C3)o2)c1 ZINC000415135884 1297779134 /nfs/dbraw/zinc/77/91/34/1297779134.db2.gz KNFBHXWDHFDKCK-GOSISDBHSA-N 1 0 327.384 3.183 20 5 EGBDRO [NH3+]CCCN(Cc1ccccc1)C(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000706281555 1298219722 /nfs/dbraw/zinc/21/97/22/1298219722.db2.gz BVHIQOACXJKCIG-UHFFFAOYSA-N 1 0 347.802 3.239 20 5 EGBDRO CSc1ccc([N+](=O)[O-])c(C(=O)OCC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000875144078 1298242421 /nfs/dbraw/zinc/24/24/21/1298242421.db2.gz FZRZNLFDUDTBJK-LBPRGKRZSA-N 1 0 338.429 3.348 20 5 EGBDRO O=[N+]([O-])c1cc(Br)ccc1N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000711707038 1298262317 /nfs/dbraw/zinc/26/23/17/1298262317.db2.gz MXEKKIFBNMNNSK-QWHCGFSZSA-N 1 0 326.194 3.054 20 5 EGBDRO CC[C@@H]1C[C@@H](C)C[N@@H+]1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000745990266 1298509209 /nfs/dbraw/zinc/50/92/09/1298509209.db2.gz ADPHGEPGJWVGML-ZYHUDNBSSA-N 1 0 325.796 3.307 20 5 EGBDRO C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000746108231 1298534615 /nfs/dbraw/zinc/53/46/15/1298534615.db2.gz JSZMDRPDXMNLFS-RYUDHWBXSA-N 1 0 339.823 3.079 20 5 EGBDRO Cc1nn(C[N@H+]2CC[C@@H](Cc3ccccc3)[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000747467700 1298786293 /nfs/dbraw/zinc/78/62/93/1298786293.db2.gz LPBYXHSIJZSICK-YOEHRIQHSA-N 1 0 328.416 3.319 20 5 EGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CCN2CCc3ccccc32)c1 ZINC000748819929 1299087098 /nfs/dbraw/zinc/08/70/98/1299087098.db2.gz RCZXJLZRFMQRSV-UHFFFAOYSA-N 1 0 331.803 3.401 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C[NH+](C)C)c(F)c1 ZINC000749155306 1299154938 /nfs/dbraw/zinc/15/49/38/1299154938.db2.gz YRMYALNYYDIKEM-UHFFFAOYSA-N 1 0 331.347 3.356 20 5 EGBDRO CCC1(CC)[C@H](OC)C[C@@H]1[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750114306 1299339277 /nfs/dbraw/zinc/33/92/77/1299339277.db2.gz JBTAWRCYDGOXBT-YESZJQIVSA-N 1 0 336.432 3.154 20 5 EGBDRO O=[N+]([O-])c1cccc(C[N@@H+](C[C@@H](O)CC2(O)CCCCC2)C2CC2)c1 ZINC000878202138 1299820090 /nfs/dbraw/zinc/82/00/90/1299820090.db2.gz MPNLVCHIEBEMES-SFHVURJKSA-N 1 0 348.443 3.005 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[N@@H+](C[C@H](O)CC1(O)CCCCC1)C1CC1 ZINC000878285527 1299891354 /nfs/dbraw/zinc/89/13/54/1299891354.db2.gz BQJPNNDMFMMMRZ-QGZVFWFLSA-N 1 0 348.443 3.005 20 5 EGBDRO Cc1cnc([C@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C2CC2)s1 ZINC000754409279 1300140001 /nfs/dbraw/zinc/14/00/01/1300140001.db2.gz IXMKAZCQQOAFCG-HUUCEWRRSA-N 1 0 333.413 3.134 20 5 EGBDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2ccnc(F)c2[N+](=O)[O-])C1 ZINC000881983012 1301771539 /nfs/dbraw/zinc/77/15/39/1301771539.db2.gz PKYGIUOCIQDYJV-ZIAGYGMSSA-N 1 0 336.411 3.220 20 5 EGBDRO Cc1csc(CC[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000764880959 1302157844 /nfs/dbraw/zinc/15/78/44/1302157844.db2.gz OSVUWOJBCFYAAM-UHFFFAOYSA-N 1 0 346.456 3.161 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@H]2CCCOc3ccccc32)cc1 ZINC000765848936 1302338362 /nfs/dbraw/zinc/33/83/62/1302338362.db2.gz LHSWJRBFMGICLP-IRXDYDNUSA-N 1 0 328.368 3.132 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](O)CNC2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000765845223 1302338855 /nfs/dbraw/zinc/33/88/55/1302338855.db2.gz NPPNDQRHMDOPRS-IBGZPJMESA-N 1 0 347.459 3.015 20 5 EGBDRO Cc1c([C@H](C)[NH2+]C2CCN(C[C@H]3CCCO3)CC2)cccc1[N+](=O)[O-] ZINC000765976377 1302361141 /nfs/dbraw/zinc/36/11/41/1302361141.db2.gz OEOOBJLBKNFFNS-DOTOQJQBSA-N 1 0 347.459 3.197 20 5 EGBDRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1c1ccc([N+](=O)[O-])c2cnccc21 ZINC000884855253 1303000776 /nfs/dbraw/zinc/00/07/76/1303000776.db2.gz AVLLSUDTGUXKBB-CQSZACIVSA-N 1 0 349.394 3.253 20 5 EGBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCN(c2cc[nH+]cc2)CC1 ZINC000770076729 1303218270 /nfs/dbraw/zinc/21/82/70/1303218270.db2.gz YFUWVOYUKCXDBS-UHFFFAOYSA-N 1 0 332.791 3.278 20 5 EGBDRO O=[N+]([O-])c1ccc2nc(NCC3CC[NH+](C4CC4)CC3)sc2c1 ZINC000770178724 1303231701 /nfs/dbraw/zinc/23/17/01/1303231701.db2.gz LERCUWVJMYRCPM-UHFFFAOYSA-N 1 0 332.429 3.491 20 5 EGBDRO C[C@H]1CC[N@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)CC12CCC2 ZINC000770668657 1303303223 /nfs/dbraw/zinc/30/32/23/1303303223.db2.gz AGOJCDADKVAMQL-AWEZNQCLSA-N 1 0 341.415 3.323 20 5 EGBDRO Cc1cncc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000773116244 1303626853 /nfs/dbraw/zinc/62/68/53/1303626853.db2.gz IGFAGOXMZYWHDP-UHFFFAOYSA-N 1 0 326.400 3.057 20 5 EGBDRO C[C@H](O)c1ccc(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000774137420 1303777777 /nfs/dbraw/zinc/77/77/77/1303777777.db2.gz DPWMQQUWOSSFGY-XKQJLSEDSA-N 1 0 344.415 3.118 20 5 EGBDRO Cn1ccnc1[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000775205989 1303925077 /nfs/dbraw/zinc/92/50/77/1303925077.db2.gz RYILBZBRXXENIY-CYBMUJFWSA-N 1 0 334.807 3.361 20 5 EGBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000888286451 1304101573 /nfs/dbraw/zinc/10/15/73/1304101573.db2.gz KSYGXSXLVYNHFG-WDEREUQCSA-N 1 0 340.811 3.161 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)c1C ZINC000889088249 1304379339 /nfs/dbraw/zinc/37/93/39/1304379339.db2.gz MPDZNMPVFQZNNR-MRXNPFEDSA-N 1 0 345.443 3.302 20 5 EGBDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000779607207 1304586636 /nfs/dbraw/zinc/58/66/36/1304586636.db2.gz JGCRLHHLKYIBNW-AWEZNQCLSA-N 1 0 340.811 3.052 20 5 EGBDRO C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000781214803 1304792615 /nfs/dbraw/zinc/79/26/15/1304792615.db2.gz NSYUKILALCVMLE-QWHCGFSZSA-N 1 0 349.406 3.117 20 5 EGBDRO Cc1ncc(CCNc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)s1 ZINC000782960822 1305030916 /nfs/dbraw/zinc/03/09/16/1305030916.db2.gz UJNIZTPFBISDGJ-UHFFFAOYSA-N 1 0 328.397 3.293 20 5 EGBDRO Cc1cccc(C)c1N(C[C@@H](C)[NH+](C)C)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000891571385 1305094431 /nfs/dbraw/zinc/09/44/31/1305094431.db2.gz ZLTALXAMUUANNC-MRXNPFEDSA-N 1 0 349.475 3.422 20 5 EGBDRO CCOC(=O)C1(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CCC1 ZINC000783667082 1305125322 /nfs/dbraw/zinc/12/53/22/1305125322.db2.gz MXRYTFOFLZVSKZ-UHFFFAOYSA-N 1 0 326.780 3.071 20 5 EGBDRO Cc1nn(C[NH+]2CCC([C@@H]3CCCO3)CC2)c2ccc([N+](=O)[O-])cc12 ZINC000783969141 1305170253 /nfs/dbraw/zinc/17/02/53/1305170253.db2.gz TYVAKLTYVLMWGR-SFHVURJKSA-N 1 0 344.415 3.101 20 5 EGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@@H](O)CCc2ccccc2)c1 ZINC000784681634 1305273111 /nfs/dbraw/zinc/27/31/11/1305273111.db2.gz VOINFCYGECFUQM-INIZCTEOSA-N 1 0 334.803 3.332 20 5 EGBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OCCC[NH+]1CCCC1 ZINC000787980819 1305837053 /nfs/dbraw/zinc/83/70/53/1305837053.db2.gz RSSCTVLOTIWNOE-CYBMUJFWSA-N 1 0 338.429 3.105 20 5 EGBDRO C[C@@H]([NH2+][C@@H]1CCc2ccccc2OC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788821468 1306022713 /nfs/dbraw/zinc/02/27/13/1306022713.db2.gz FZNAWXRLVCZFTQ-IUODEOHRSA-N 1 0 327.384 3.221 20 5 EGBDRO CC(C)(CNCc1ccc([N+](=O)[O-])c(Cl)c1)C[NH+]1CCCC1 ZINC000792197434 1309143087 /nfs/dbraw/zinc/14/30/87/1309143087.db2.gz WDGUYSHCKRJDIO-UHFFFAOYSA-N 1 0 325.840 3.460 20 5 EGBDRO CSC[C@@H]1CCC[N@H+](Cn2nc(C)c3cc([N+](=O)[O-])ccc32)C1 ZINC000793794023 1309442164 /nfs/dbraw/zinc/44/21/64/1309442164.db2.gz APSDHQXOVHJJPX-CYBMUJFWSA-N 1 0 334.445 3.285 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC2CC[NH+](C(C)(C)C)CC2)c1C ZINC000895798661 1309526011 /nfs/dbraw/zinc/52/60/11/1309526011.db2.gz IZPFFTYYXNUXKZ-UHFFFAOYSA-N 1 0 333.432 3.204 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H](C)NC(=O)OC(C)(C)C ZINC000794824649 1309601479 /nfs/dbraw/zinc/60/14/79/1309601479.db2.gz LDFBVSDCLHDLII-QWHCGFSZSA-N 1 0 337.420 3.467 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ncn(C[NH+]3CCC4(CCC4)CC3)n2)cc1 ZINC000795715355 1309816228 /nfs/dbraw/zinc/81/62/28/1309816228.db2.gz XIOXJCIUGPNWHE-UHFFFAOYSA-N 1 0 327.388 3.077 20 5 EGBDRO CN(CCC[N@H+](C)Cc1ccccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000797944877 1310274294 /nfs/dbraw/zinc/27/42/94/1310274294.db2.gz PXTRKKFDKGRKNK-UHFFFAOYSA-N 1 0 337.420 3.284 20 5 EGBDRO Cc1noc(C[C@H]2CCC[N@H+](Cc3c(C)ccc([N+](=O)[O-])c3C)C2)n1 ZINC000897575137 1310387682 /nfs/dbraw/zinc/38/76/82/1310387682.db2.gz QYAPYMRAYPODMP-OAHLLOKOSA-N 1 0 344.415 3.358 20 5 EGBDRO CC[N@H+](CCC(=O)NC)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000897710642 1310439619 /nfs/dbraw/zinc/43/96/19/1310439619.db2.gz ZZWXNTFRVBNFSH-UHFFFAOYSA-N 1 0 347.440 3.281 20 5 EGBDRO C[C@@H](Cc1cccnc1)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000897969919 1310532935 /nfs/dbraw/zinc/53/29/35/1310532935.db2.gz NZUDCQYTXVGOJX-HNNXBMFYSA-N 1 0 340.427 3.179 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCOC1CCSCC1 ZINC000898440955 1310736659 /nfs/dbraw/zinc/73/66/59/1310736659.db2.gz WQRGKHFPGXPTSR-SDNWHVSQSA-N 1 0 336.457 3.500 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCc2ccccc2OC1 ZINC000801576040 1310970018 /nfs/dbraw/zinc/97/00/18/1310970018.db2.gz PSVVRKQKZPONSQ-HNNXBMFYSA-N 1 0 328.368 3.087 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](O)Cc2cccc(F)c2)cc1Cl ZINC000824509801 1320262735 /nfs/dbraw/zinc/26/27/35/1320262735.db2.gz ORZIEJOXHVSIHW-CQSZACIVSA-N 1 0 338.766 3.081 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@@H](OC(=O)N(C)C)C1 ZINC000824616228 1320270994 /nfs/dbraw/zinc/27/09/94/1320270994.db2.gz TYRQDLLSNXHIRG-IDKBZEPQSA-N 1 0 347.415 3.161 20 5 EGBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])C1 ZINC000804357293 1317223191 /nfs/dbraw/zinc/22/31/91/1317223191.db2.gz CQMUOZZNHSOVHF-MCIONIFRSA-N 1 0 348.403 3.345 20 5 EGBDRO CC(C)[N@H+](C)CC1CCN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC1 ZINC000804360498 1317223578 /nfs/dbraw/zinc/22/35/78/1317223578.db2.gz JTIRAYHAQBGNII-UHFFFAOYSA-N 1 0 336.392 3.060 20 5 EGBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC000804369745 1317224064 /nfs/dbraw/zinc/22/40/64/1317224064.db2.gz ARZKWPQLRRZOEH-UHFFFAOYSA-N 1 0 333.432 3.356 20 5 EGBDRO COc1ccc(C[NH2+][C@H]2CCc3nc(Cl)ccc32)cc1[N+](=O)[O-] ZINC000806133891 1317463470 /nfs/dbraw/zinc/46/34/70/1317463470.db2.gz DTNVQZCUAAJOMW-LBPRGKRZSA-N 1 0 333.775 3.429 20 5 EGBDRO Cc1cccc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3csc([N+](=O)[O-])c3)C2)c1 ZINC001019962332 1317478009 /nfs/dbraw/zinc/47/80/09/1317478009.db2.gz UYESKMOHHMMXHP-SHTZXODSSA-N 1 0 345.424 3.015 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@](C)(O)c1cccc(F)c1 ZINC000903307491 1317684892 /nfs/dbraw/zinc/68/48/92/1317684892.db2.gz IQPYEVUSWJETKY-KZULUSFZSA-N 1 0 348.374 3.301 20 5 EGBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811484404 1318183275 /nfs/dbraw/zinc/18/32/75/1318183275.db2.gz WGQMMVYNNPYUCI-OTYXRUKQSA-N 1 0 344.242 3.474 20 5 EGBDRO C[C@@H]1C[C@@H](NCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC[N@@H+]1C ZINC000811482575 1318184147 /nfs/dbraw/zinc/18/41/47/1318184147.db2.gz METXJCCZVQIULO-SKDRFNHKSA-N 1 0 332.231 3.474 20 5 EGBDRO O=C(C=C1CCCCC1)N[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001021880791 1318718953 /nfs/dbraw/zinc/71/89/53/1318718953.db2.gz WQBGNORPZADAPU-GASCZTMLSA-N 1 0 349.456 3.284 20 5 EGBDRO O=[N+]([O-])c1cccc(Cl)c1NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000814359656 1318729148 /nfs/dbraw/zinc/72/91/48/1318729148.db2.gz MHICYJRJGNKRIV-CYBMUJFWSA-N 1 0 339.823 3.304 20 5 EGBDRO C[C@@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000912807844 1318936686 /nfs/dbraw/zinc/93/66/86/1318936686.db2.gz QLZYQDRWQMXKRP-MPGHIAIKSA-N 1 0 347.459 3.277 20 5 EGBDRO CC1(C)CC(CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC001022590325 1319005102 /nfs/dbraw/zinc/00/51/02/1319005102.db2.gz FLPGBWFQYZNPBL-IYBDPMFKSA-N 1 0 345.443 3.158 20 5 EGBDRO C[C@H]([NH2+]C[C@]1(O)CCCc2ccccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815578451 1319018507 /nfs/dbraw/zinc/01/85/07/1319018507.db2.gz OGLADEWHKXSODV-ORAYPTAESA-N 1 0 341.411 3.052 20 5 EGBDRO COC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815585745 1319022898 /nfs/dbraw/zinc/02/28/98/1319022898.db2.gz QXXMBOZMZHCRST-XJKSGUPXSA-N 1 0 329.400 3.085 20 5 EGBDRO C[C@H]([NH2+][C@@H]1CC[C@H]2SCCS[C@H]12)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815599149 1319024795 /nfs/dbraw/zinc/02/47/95/1319024795.db2.gz MAZVVTCRAYWLNP-ZEQHWRKHSA-N 1 0 339.486 3.207 20 5 EGBDRO C[C@@H]([NH2+]C[C@@H](CO)c1ccc(Cl)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815626895 1319031558 /nfs/dbraw/zinc/03/15/58/1319031558.db2.gz OETIJUCFRVIADD-RISCZKNCSA-N 1 0 349.818 3.257 20 5 EGBDRO COC(=O)Nc1cccc(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000815626245 1319031864 /nfs/dbraw/zinc/03/18/64/1319031864.db2.gz ZHEVLPQAYIYNOU-LLVKDONJSA-N 1 0 344.371 3.206 20 5 EGBDRO C[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1Cl)[N@@H+]1CCC[C@H](C)C1 ZINC000816871844 1319238312 /nfs/dbraw/zinc/23/83/12/1319238312.db2.gz VKGVVNOKWNKZRG-NWDGAFQWSA-N 1 0 339.823 3.098 20 5 EGBDRO CC(C)(NC(=O)CCCC[NH+]1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000817038702 1319263849 /nfs/dbraw/zinc/26/38/49/1319263849.db2.gz BLDQVEPTRLUNEH-UHFFFAOYSA-N 1 0 333.432 3.212 20 5 EGBDRO Cc1ccc(OCCCC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000818961936 1319591674 /nfs/dbraw/zinc/59/16/74/1319591674.db2.gz XUWOOPLTXNAIGS-LJQANCHMSA-N 1 0 344.411 3.385 20 5 EGBDRO CC(C)Oc1ccccc1C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818968068 1319595813 /nfs/dbraw/zinc/59/58/13/1319595813.db2.gz JYGAEBJAQLTWQM-QGZVFWFLSA-N 1 0 330.384 3.205 20 5 EGBDRO COc1ccccc1C(C)(C)C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000818985351 1319605697 /nfs/dbraw/zinc/60/56/97/1319605697.db2.gz RLIZPPYARMZCIO-KRWDZBQOSA-N 1 0 344.411 3.204 20 5 EGBDRO CC(C)(C)c1csc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000819019552 1319616905 /nfs/dbraw/zinc/61/69/05/1319616905.db2.gz BJPFCBDHXIAOGL-CYBMUJFWSA-N 1 0 335.429 3.172 20 5 EGBDRO COc1ccc([C@@H](C)CC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000819102235 1319633965 /nfs/dbraw/zinc/63/39/65/1319633965.db2.gz HWMFFDBIQAJMNZ-IFXJQAMLSA-N 1 0 344.411 3.420 20 5 EGBDRO CCC(CC)c1cc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)on1 ZINC000819105319 1319636616 /nfs/dbraw/zinc/63/66/16/1319636616.db2.gz DYRAJESBYLZPIS-QGZVFWFLSA-N 1 0 333.388 3.310 20 5 EGBDRO CC[C@@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)Oc1cccc(C)c1 ZINC000819136551 1319644789 /nfs/dbraw/zinc/64/47/89/1319644789.db2.gz KSRJWFBKWKOPJJ-HKUYNNGSSA-N 1 0 344.411 3.384 20 5 EGBDRO CC(C)[C@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1cccnc1 ZINC000819139357 1319646151 /nfs/dbraw/zinc/64/61/51/1319646151.db2.gz CTWWEVPBVNQXDK-ZWKOTPCHSA-N 1 0 329.400 3.053 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H]2COc3c2cccc3Cl)c1 ZINC000819156266 1319651441 /nfs/dbraw/zinc/65/14/41/1319651441.db2.gz ZATSFMZHSJGEQL-GJZGRUSLSA-N 1 0 334.759 3.005 20 5 EGBDRO CC(C)(C)c1nc(CC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cs1 ZINC000819196541 1319663820 /nfs/dbraw/zinc/66/38/20/1319663820.db2.gz HLOSTVWDQGGWCE-OAHLLOKOSA-N 1 0 349.456 3.215 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2CCO[C@@H](c3ccccc3)C2)c1 ZINC000819236848 1319677265 /nfs/dbraw/zinc/67/72/65/1319677265.db2.gz XVLSUOULHOXZBE-BHIYHBOVSA-N 1 0 342.395 3.138 20 5 EGBDRO Cc1cc(Cl)nc(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000819290554 1319691562 /nfs/dbraw/zinc/69/15/62/1319691562.db2.gz INVZYOVKYFTJGT-UHFFFAOYSA-N 1 0 348.790 3.070 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@H]2CCCCC(F)(F)C2)c1 ZINC000819326166 1319698768 /nfs/dbraw/zinc/69/87/68/1319698768.db2.gz OECDUZPGENUQRB-SWLSCSKDSA-N 1 0 328.359 3.433 20 5 EGBDRO C[NH+](C)C1(CNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CCCCCC1 ZINC000917357851 1319795696 /nfs/dbraw/zinc/79/56/96/1319795696.db2.gz PGBSHPRCNXSFEF-XFXZXTDPSA-N 1 0 345.443 3.379 20 5 EGBDRO O=[N+]([O-])c1ccn(C2CC[NH+](CC[C@@H]3CC3(Cl)Cl)CC2)n1 ZINC000822977522 1320143176 /nfs/dbraw/zinc/14/31/76/1320143176.db2.gz VKEKVCBISLCHIE-SNVBAGLBSA-N 1 0 333.219 3.012 20 5 EGBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2F)C1 ZINC000824656161 1320275218 /nfs/dbraw/zinc/27/52/18/1320275218.db2.gz FVHGRTMWVMJOBW-GUTXKFCHSA-N 1 0 349.406 3.211 20 5 EGBDRO O=[N+]([O-])c1cn(C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)nc1-c1ccncc1 ZINC000842616714 1321407074 /nfs/dbraw/zinc/40/70/74/1321407074.db2.gz LOLWTYPJIJVMAY-ZFWWWQNUSA-N 1 0 327.388 3.075 20 5 EGBDRO Cc1c(Cc2noc(C[C@H](C)[C@H]3CCC[NH2+]C3)n2)cccc1[N+](=O)[O-] ZINC000843191297 1321484623 /nfs/dbraw/zinc/48/46/23/1321484623.db2.gz CSLVPVNKRLWKBH-WFASDCNBSA-N 1 0 344.415 3.055 20 5 EGBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCCC[NH+]1CCCCCC1 ZINC000843758467 1321544839 /nfs/dbraw/zinc/54/48/39/1321544839.db2.gz PQKUNCZPGNYRQQ-UHFFFAOYSA-N 1 0 337.395 3.038 20 5 EGBDRO C[NH+](C)CC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1Cl)C(C)(C)C ZINC000859433545 1328986246 /nfs/dbraw/zinc/98/62/46/1328986246.db2.gz JESVWXRRNIJITC-ZDUSSCGKSA-N 1 0 341.839 3.344 20 5 EGBDRO C[C@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])[C@@H](O)c1ccc(F)cc1 ZINC000848531192 1321969884 /nfs/dbraw/zinc/96/98/84/1321969884.db2.gz OSTBPMBNDYXLFO-LIXBPZJASA-N 1 0 330.359 3.433 20 5 EGBDRO C[C@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])[C@@H](O)c1ccc(F)cc1 ZINC000848531195 1321970257 /nfs/dbraw/zinc/97/02/57/1321970257.db2.gz OSTBPMBNDYXLFO-SDDDUWNISA-N 1 0 330.359 3.433 20 5 EGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H](CCO)Cc1ccccc1 ZINC000848547929 1321974360 /nfs/dbraw/zinc/97/43/60/1321974360.db2.gz CXNDFJPOAPAICS-QAPCUYQASA-N 1 0 326.396 3.165 20 5 EGBDRO Cc1ccc(CNC(=[NH2+])NCc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000849086754 1322072936 /nfs/dbraw/zinc/07/29/36/1322072936.db2.gz PHJQDUVGSSOBNI-UHFFFAOYSA-N 1 0 332.791 3.371 20 5 EGBDRO [NH2+]=C(NCCOc1ccc([N+](=O)[O-])cc1)Nc1ccc2c(c1)CCC2 ZINC000849100315 1322078676 /nfs/dbraw/zinc/07/86/76/1322078676.db2.gz MXVWKLBGMWOKQG-UHFFFAOYSA-N 1 0 340.383 3.099 20 5 EGBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(c2nc3ccccn3c2[N+](=O)[O-])C1 ZINC000919721922 1322098614 /nfs/dbraw/zinc/09/86/14/1322098614.db2.gz BVGJLMBZBDPCFZ-ZNMIVQPWSA-N 1 0 343.431 3.084 20 5 EGBDRO O=[N+]([O-])c1cc(F)c(N2CCC([C@@H]3CCC[NH2+]C3)CC2)c(F)c1 ZINC000849239569 1322099357 /nfs/dbraw/zinc/09/93/57/1322099357.db2.gz UQFPNCNOXKGZTM-GFCCVEGCSA-N 1 0 325.359 3.089 20 5 EGBDRO O=[N+]([O-])c1ccc(NC(=S)N[C@H]2CC[N@@H+](C3CCCCC3)C2)cc1 ZINC000849297707 1322108987 /nfs/dbraw/zinc/10/89/87/1322108987.db2.gz ODMMMMOSHWCNAA-AWEZNQCLSA-N 1 0 348.472 3.288 20 5 EGBDRO CC(=O)c1ccc(N(C)CC[N@H+](C)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000920256740 1322155923 /nfs/dbraw/zinc/15/59/23/1322155923.db2.gz BBGVMAPPONLRQV-UHFFFAOYSA-N 1 0 333.432 3.498 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](CCO)Cc1ccccc1 ZINC000850466065 1322254087 /nfs/dbraw/zinc/25/40/87/1322254087.db2.gz BZHBYNXDYUNTOH-HOCLYGCPSA-N 1 0 344.411 3.248 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@](O)(c2ccccc2)C1 ZINC000859582624 1329024425 /nfs/dbraw/zinc/02/44/25/1329024425.db2.gz JDHHMLJTZOPWJY-IBGZPJMESA-N 1 0 342.395 3.087 20 5 EGBDRO C[C@@H](NC(=O)NCC[C@@H](C)[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000921935627 1322425477 /nfs/dbraw/zinc/42/54/77/1322425477.db2.gz YTEPUAZEHCTJDK-HUUCEWRRSA-N 1 0 348.447 3.220 20 5 EGBDRO CCOc1ccc(C(=O)OCC[C@@H]2CCCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000924430491 1323021994 /nfs/dbraw/zinc/02/19/94/1323021994.db2.gz QJYARKGZBNGVCV-AWEZNQCLSA-N 1 0 336.388 3.025 20 5 EGBDRO O=[N+]([O-])c1ccc(NC(=S)NC[C@@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC000853054795 1323270261 /nfs/dbraw/zinc/27/02/61/1323270261.db2.gz ZOMDTVOBSHFPCX-AWEZNQCLSA-N 1 0 348.472 3.003 20 5 EGBDRO CS[C@@H]1CN(c2ccc(C(F)F)cc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000853460796 1325096617 /nfs/dbraw/zinc/09/66/17/1325096617.db2.gz KHWOEBOSCOYQSS-QWHCGFSZSA-N 1 0 331.388 3.014 20 5 EGBDRO CC1C[C@H]2CC[C@@H](C1)[N@H+]2Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000853605209 1325130802 /nfs/dbraw/zinc/13/08/02/1325130802.db2.gz HYCJMGMITCTJMW-SFESLNEESA-N 1 0 327.388 3.074 20 5 EGBDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000855898651 1325428063 /nfs/dbraw/zinc/42/80/63/1325428063.db2.gz RYBWIBFDWFZLGV-LBPRGKRZSA-N 1 0 339.823 3.098 20 5 EGBDRO C[C@@H]([NH2+]C[C@H]1CCCN1CC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000926927088 1327780410 /nfs/dbraw/zinc/78/04/10/1327780410.db2.gz RWGUSLFOLUOTJH-BXUZGUMPSA-N 1 0 331.338 3.272 20 5 EGBDRO CCOc1ccc([C@H](C)[NH2+]Cc2cc(C3CC3)nn2C)cc1[N+](=O)[O-] ZINC000927099613 1327860837 /nfs/dbraw/zinc/86/08/37/1327860837.db2.gz QOCXJVPPBPRCHK-LBPRGKRZSA-N 1 0 344.415 3.455 20 5 EGBDRO C[C@@H]1CCCC[N@@H+]1CCCCNc1cc(F)c([N+](=O)[O-])cc1CO ZINC000865445147 1329698222 /nfs/dbraw/zinc/69/82/22/1329698222.db2.gz KWAACUWVBDSOPX-CYBMUJFWSA-N 1 0 339.411 3.293 20 5 EGBDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNc2cc(F)c([N+](=O)[O-])cc2CO)C1 ZINC000865499302 1329705793 /nfs/dbraw/zinc/70/57/93/1329705793.db2.gz IIMASGAQWXLXJK-GFCCVEGCSA-N 1 0 339.411 3.149 20 5 EGBDRO CCc1ccc(CNC(=O)C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000932179217 1329791416 /nfs/dbraw/zinc/79/14/16/1329791416.db2.gz GLSQLPWNWIDENP-GFCCVEGCSA-N 1 0 347.440 3.186 20 5 EGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H](O)CCc1ccccc1 ZINC000866338524 1330098468 /nfs/dbraw/zinc/09/84/68/1330098468.db2.gz SRSZECGTMWMHNS-KSSFIOAISA-N 1 0 346.402 3.248 20 5 EGBDRO Cc1cccc(C[C@@H](CO)[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])c1 ZINC000866345897 1330099848 /nfs/dbraw/zinc/09/98/48/1330099848.db2.gz SUADXYLCHXWBBC-KSSFIOAISA-N 1 0 346.402 3.167 20 5 EGBDRO Cc1ccccc1C[C@H](CO)[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866347096 1330100016 /nfs/dbraw/zinc/10/00/16/1330100016.db2.gz ZZITZRLWEQXZRO-RDTXWAMCSA-N 1 0 346.402 3.167 20 5 EGBDRO C[C@@H]([NH2+][C@@H]1CCO[C@H]1c1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000866403599 1330107257 /nfs/dbraw/zinc/10/72/57/1330107257.db2.gz DSLLKHHHBCLQFD-NJAPINKUSA-N 1 0 327.384 3.358 20 5 EGBDRO C[C@H](C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)CC1(C)OCCO1 ZINC000866425780 1330110315 /nfs/dbraw/zinc/11/03/15/1330110315.db2.gz NXYKZQMGAIHRHE-WMLDXEAASA-N 1 0 348.443 3.295 20 5 EGBDRO C[C@H](C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)CC1(C)OCCO1 ZINC000866425781 1330110444 /nfs/dbraw/zinc/11/04/44/1330110444.db2.gz NXYKZQMGAIHRHE-YOEHRIQHSA-N 1 0 348.443 3.295 20 5 EGBDRO CN(C(=O)C1(C)CCC1)C1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001005833290 1336406044 /nfs/dbraw/zinc/40/60/44/1336406044.db2.gz MVYBBBCFMWJPGV-UHFFFAOYSA-N 1 0 345.443 3.208 20 5 EGBDRO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)CC1CCN(C(=O)C2CCC2)CC1 ZINC001029923786 1341121150 /nfs/dbraw/zinc/12/11/50/1341121150.db2.gz WNQOMUSNAWMXJW-UHFFFAOYSA-N 1 0 345.443 3.065 20 5 EGBDRO CC(C)=CC(=O)N1CCC(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001029929557 1341124721 /nfs/dbraw/zinc/12/47/21/1341124721.db2.gz XBESDCZHZSOIRQ-UHFFFAOYSA-N 1 0 345.443 3.231 20 5 EGBDRO C/C=C(\C)C(=O)N1CCC(C[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001029953956 1341133234 /nfs/dbraw/zinc/13/32/34/1341133234.db2.gz NPMYHFFDPVAPGE-SYZQJQIISA-N 1 0 345.443 3.231 20 5 EGBDRO Cc1cncc([N+](=O)[O-])c1N1CCN(C/C=C\c2ccccc2)CC1 ZINC001323058723 1387277918 /nfs/dbraw/zinc/27/79/18/1387277918.db2.gz ACQLZYQCUKZSJS-YVMONPNESA-N 1 0 338.411 3.134 20 5 EGBDRO Cc1nc(NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC001324424322 1387620180 /nfs/dbraw/zinc/62/01/80/1387620180.db2.gz IIHJNVNRSFSION-SFHVURJKSA-N 1 0 341.415 3.017 20 5 EGBDRO Cc1nc(NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC001324424316 1387620386 /nfs/dbraw/zinc/62/03/86/1387620386.db2.gz IIHJNVNRSFSION-GOSISDBHSA-N 1 0 341.415 3.017 20 5 EGBDRO CC[C@@H]([NH2+]CCC(=O)N1CCC[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC001324944135 1387840986 /nfs/dbraw/zinc/84/09/86/1387840986.db2.gz CRHFJQIFUKODAW-WMLDXEAASA-N 1 0 333.432 3.284 20 5 EGBDRO CC(C)CCC(=O)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001199265387 1369200196 /nfs/dbraw/zinc/20/01/96/1369200196.db2.gz OQBXTUQPVRCTBL-UHFFFAOYSA-N 1 0 333.432 3.112 20 5 EGBDRO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2-c1ccc(N)nc1 ZINC001201292497 1369511914 /nfs/dbraw/zinc/51/19/14/1369511914.db2.gz PBBQRDOAANBCRX-UHFFFAOYSA-N 1 0 345.406 3.221 20 5 EGBDRO CCCC1CC[NH+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC001116328191 1370887730 /nfs/dbraw/zinc/88/77/30/1370887730.db2.gz GZAPPAVBTASMMD-QGZVFWFLSA-N 1 0 331.416 3.212 20 5 EGBDRO CC(C)c1ccc(C(=O)N2CCCC[C@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC001119325967 1371312636 /nfs/dbraw/zinc/31/26/36/1371312636.db2.gz ZJYPGIHCGNHEPB-LJQANCHMSA-N 1 0 345.443 3.324 20 5 EGBDRO COc1c(O)ccc(C[NH2+]CC2CCC(F)(F)CC2)c1[N+](=O)[O-] ZINC001120052296 1371469475 /nfs/dbraw/zinc/46/94/75/1371469475.db2.gz PLXUUNREPFVLNE-UHFFFAOYSA-N 1 0 330.331 3.224 20 5 EGBDRO C[N@@H+]1CCC[C@@H](CNc2cc(N)c([N+](=O)[O-])cn2)[C@H]1c1cccs1 ZINC001120902576 1371800640 /nfs/dbraw/zinc/80/06/40/1371800640.db2.gz UGHXOBQPAPMVJF-ZBEGNZNMSA-N 1 0 347.444 3.129 20 5 EGBDRO C[N@@H+]1CCC[C@@H](CNc2cc(N)c([N+](=O)[O-])cn2)[C@@H]1c1cccs1 ZINC001120902574 1371800893 /nfs/dbraw/zinc/80/08/93/1371800893.db2.gz UGHXOBQPAPMVJF-MEDUHNTESA-N 1 0 347.444 3.129 20 5 EGBDRO C[NH+]1CCC(Oc2ccc(Nc3cccc([N+](=O)[O-])c3F)nc2)CC1 ZINC001210379986 1372337940 /nfs/dbraw/zinc/33/79/40/1372337940.db2.gz BMPVOAOTUZIXHJ-UHFFFAOYSA-N 1 0 346.362 3.346 20 5 EGBDRO C[NH+]1CCN(Cc2ccccc2Nc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC001210953608 1372460026 /nfs/dbraw/zinc/46/00/26/1372460026.db2.gz LCPRIUBJDMCZRB-UHFFFAOYSA-N 1 0 344.390 3.225 20 5 EGBDRO C[C@@H](OCCCC1CC[NH2+]CC1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001217834070 1373505368 /nfs/dbraw/zinc/50/53/68/1373505368.db2.gz RFLWRZDDAHPMJX-GFCCVEGCSA-N 1 0 336.388 3.181 20 5 EGBDRO C[C@@H]1CC[NH2+]CC[C@H]1Oc1c(F)cc(Br)cc1[N+](=O)[O-] ZINC001218026496 1373541198 /nfs/dbraw/zinc/54/11/98/1373541198.db2.gz ZJDRTLOAKOXCGQ-PRHODGIISA-N 1 0 347.184 3.263 20 5 EGBDRO C[C@H]1CC[NH2+]CC[C@H]1Oc1ccc([N+](=O)[O-])c(Br)c1 ZINC001218029429 1373542293 /nfs/dbraw/zinc/54/22/93/1373542293.db2.gz LBZNZFFGIKLVSO-TVQRCGJNSA-N 1 0 329.194 3.124 20 5 EGBDRO O=[N+]([O-])c1cc(F)c(Br)c(O[C@@H]2CC[C@@]23CC[NH2+]C3)c1 ZINC001218126342 1373565538 /nfs/dbraw/zinc/56/55/38/1373565538.db2.gz ZMOFVOSEZHCBII-YPMHNXCESA-N 1 0 345.168 3.017 20 5 EGBDRO Cc1cc(Br)cc([N+](=O)[O-])c1O[C@@H]1C[C@H]2CC[NH2+][C@@H]2C1 ZINC001218250214 1373583708 /nfs/dbraw/zinc/58/37/08/1373583708.db2.gz LHHIVFHIQCFNAJ-YUSALJHKSA-N 1 0 341.205 3.185 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2ccc(OC[C@H]3C[NH2+]CCCO3)cc2)c1 ZINC001218303350 1373591513 /nfs/dbraw/zinc/59/15/13/1373591513.db2.gz ZHDDMQZUBQXOOG-GOSISDBHSA-N 1 0 328.368 3.019 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2cccc(OC[C@@H]3C[NH2+]CCCO3)c2)c1 ZINC001218302065 1373591808 /nfs/dbraw/zinc/59/18/08/1373591808.db2.gz MTLHAWRZLJVFTD-SFHVURJKSA-N 1 0 328.368 3.019 20 5 EGBDRO CC1(C)C[C@@H](Oc2ccc(Br)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC001218470919 1373619975 /nfs/dbraw/zinc/61/99/75/1373619975.db2.gz YUHHUNNVXUMJQT-JTQLQIEISA-N 1 0 329.194 3.267 20 5 EGBDRO Cc1cc(O[C@@H]2CC[C@@H]3C[NH2+]C[C@H]23)c([N+](=O)[O-])cc1Br ZINC001218475590 1373621145 /nfs/dbraw/zinc/62/11/45/1373621145.db2.gz ZAAXDIPTAUTOIU-GBIKHYSHSA-N 1 0 341.205 3.043 20 5 EGBDRO CC1(CC(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)CCCCC1 ZINC001131140518 1373650383 /nfs/dbraw/zinc/65/03/83/1373650383.db2.gz MKXGZRNQVXWYFO-UHFFFAOYSA-N 1 0 333.432 3.161 20 5 EGBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)C1CCCCCCC1 ZINC001131146063 1373652732 /nfs/dbraw/zinc/65/27/32/1373652732.db2.gz XIHWNZPPDHBTRS-UHFFFAOYSA-N 1 0 333.432 3.161 20 5 EGBDRO O=[N+]([O-])c1cccnc1O[C@H]1CCN(Cc2ccc(Cl)cc2)C1 ZINC001225594091 1375128858 /nfs/dbraw/zinc/12/88/58/1375128858.db2.gz BDFULJJWWDIVGD-AWEZNQCLSA-N 1 0 333.775 3.297 20 5 EGBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Oc1cccnc1[N+](=O)[O-] ZINC001225629760 1375134926 /nfs/dbraw/zinc/13/49/26/1375134926.db2.gz RKFXNVRCKTWXBI-GDBMZVCRSA-N 1 0 327.384 3.279 20 5 EGBDRO Cc1c(O[C@H]2COCC[N@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC001225690280 1375145239 /nfs/dbraw/zinc/14/52/39/1375145239.db2.gz VMIULPSVOCXVFA-QGZVFWFLSA-N 1 0 342.395 3.183 20 5 EGBDRO CO[C@@H]1CC[N@H+](CCOc2ccc(-c3ccccc3)cc2[N+](=O)[O-])C1 ZINC001226386712 1375251360 /nfs/dbraw/zinc/25/13/60/1375251360.db2.gz SABXGQMZWXJISC-QGZVFWFLSA-N 1 0 342.395 3.361 20 5 EGBDRO C[N@@H+]1CCC[C@H](Oc2ccc(OC(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC001227601849 1375451385 /nfs/dbraw/zinc/45/13/85/1375451385.db2.gz NAFQPRDMPUTEFP-JTQLQIEISA-N 1 0 334.294 3.357 20 5 EGBDRO C[N@@H+]1CC[C@@H](Oc2c3ccccc3c(O)c3c(O)ccc(O)c23)C1 ZINC001228173794 1375524420 /nfs/dbraw/zinc/52/44/20/1375524420.db2.gz LZTGLKFGDDKSDU-LLVKDONJSA-N 1 0 325.364 3.193 20 5 EGBDRO C[N@H+](CCCNC(=O)C1CCCCC1)Cc1ccccc1[N+](=O)[O-] ZINC001231345315 1376230004 /nfs/dbraw/zinc/23/00/04/1376230004.db2.gz NPOGWFTYSCRJCO-UHFFFAOYSA-N 1 0 333.432 3.113 20 5 EGBDRO C[C@H](C[N+](C)(C)C)Oc1ncnc2sc(CC(F)(F)F)cc21 ZINC001231378063 1376232105 /nfs/dbraw/zinc/23/21/05/1376232105.db2.gz GIQWNNFQAXQIEN-SECBINFHSA-N 1 0 334.387 3.270 20 5 EGBDRO OC[C@H]1C[N@H+](Cc2c3ccccc3c3cc4ccccc4oc2-3)C[C@H]1O ZINC001231817965 1376320599 /nfs/dbraw/zinc/32/05/99/1376320599.db2.gz JOWJZYGSUWMSMG-FOIQADDNSA-N 1 0 347.414 3.476 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1380434723 /nfs/dbraw/zinc/43/47/23/1380434723.db2.gz GLWJQOIRZINJKD-SECBINFHSA-N 1 0 339.182 3.318 20 5 EGBDRO COc1nc(-n2c(C[NH3+])cc3cc(Cl)ccc32)ccc1[N+](=O)[O-] ZINC001155989155 1380510682 /nfs/dbraw/zinc/51/06/82/1380510682.db2.gz BCHDANQWVDUQGE-UHFFFAOYSA-N 1 0 332.747 3.054 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)cc(NCc2cccnc2C2CC[NH2+]CC2)n1 ZINC001155995077 1380511658 /nfs/dbraw/zinc/51/16/58/1380511658.db2.gz RKEFOQXNBNSAKQ-UHFFFAOYSA-N 1 0 347.806 3.117 20 5 EGBDRO Cc1nc(Cl)c([N+](=O)[O-])c(NCc2cccc(C[NH+](C)C)c2)n1 ZINC001156043926 1380516115 /nfs/dbraw/zinc/51/61/15/1380516115.db2.gz FGDWPARTGDPKPG-UHFFFAOYSA-N 1 0 335.795 3.020 20 5 EGBDRO CC1(C)CC([NH3+])CC(C)(C)N1c1ncnc2cc([N+](=O)[O-])ccc21 ZINC001156771627 1380632139 /nfs/dbraw/zinc/63/21/39/1380632139.db2.gz XPICNGAZURAEQI-UHFFFAOYSA-N 1 0 329.404 3.023 20 5 EGBDRO O=[N+]([O-])c1cccc2ccc(N3CC[NH2+][C@H](c4ccccc4)C3)nc21 ZINC001157758976 1381024293 /nfs/dbraw/zinc/02/42/93/1381024293.db2.gz GUPINECQRIWNFP-INIZCTEOSA-N 1 0 334.379 3.294 20 5 EGBDRO CC(C)(C)CN(c1ncnc2cccc([N+](=O)[O-])c21)C1CC[NH2+]CC1 ZINC001157892020 1381061608 /nfs/dbraw/zinc/06/16/08/1381061608.db2.gz DLTBEOYJGTWJMM-UHFFFAOYSA-N 1 0 343.431 3.143 20 5 EGBDRO [NH3+][C@H]1CCc2nn(-c3ccc4ccc5ccc(Cl)nc5c4n3)cc2C1 ZINC001157990728 1381095234 /nfs/dbraw/zinc/09/52/34/1381095234.db2.gz WOCXJXWOQBTSSV-AWEZNQCLSA-N 1 0 349.825 3.438 20 5 EGBDRO C[NH+]1CCC(N(c2ncc(Cl)cc2[N+](=O)[O-])C2CCCC2)CC1 ZINC001158485520 1381263551 /nfs/dbraw/zinc/26/35/51/1381263551.db2.gz NILXIOSFFAWPRS-UHFFFAOYSA-N 1 0 338.839 3.486 20 5 EGBDRO CC[N@@H+]1CCN(c2nc(Cl)c(Cl)cc2[N+](=O)[O-])C(C)(C)C1 ZINC001158562392 1381301050 /nfs/dbraw/zinc/30/10/50/1381301050.db2.gz ASHOYWZBCPATON-UHFFFAOYSA-N 1 0 333.219 3.217 20 5 EGBDRO O=[N+]([O-])c1cc(-c2ccc(NCC[C@H]3CCC[NH2+]3)nn2)ccc1Cl ZINC001158632325 1381331678 /nfs/dbraw/zinc/33/16/78/1381331678.db2.gz RXRMZPURLDDGSO-GFCCVEGCSA-N 1 0 347.806 3.259 20 5 EGBDRO Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1c(Cl)[n+]([O-])ccc1[N+](=O)[O-] ZINC001158731372 1381374184 /nfs/dbraw/zinc/37/41/84/1381374184.db2.gz XFBSUQWWCOFVFC-LBPRGKRZSA-N 1 0 348.790 3.122 20 5 EGBDRO CCOC(=O)c1c2c(sc1Nc1ccccc1[N+](=O)[O-])C[NH2+]CC2 ZINC001159208688 1381731871 /nfs/dbraw/zinc/73/18/71/1381731871.db2.gz NXMAUSWYLVBIII-UHFFFAOYSA-N 1 0 347.396 3.222 20 5 EGBDRO O=[N+]([O-])c1cc(Nc2ccc(N3CC[NH2+]CC3)c(F)c2)ccc1F ZINC001159537628 1381820463 /nfs/dbraw/zinc/82/04/63/1381820463.db2.gz KFMOXCZGDMJSNZ-UHFFFAOYSA-N 1 0 334.326 3.026 20 5 EGBDRO O=[N+]([O-])/C=C/c1ccc(Nc2cc(F)ccc2N2CC[NH2+]CC2)cc1 ZINC001160045856 1381978819 /nfs/dbraw/zinc/97/88/19/1381978819.db2.gz PJMYZHAKMOGXHT-JXMROGBWSA-N 1 0 342.374 3.226 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1Nc1cccc(F)c1O[C@@H]1CC[NH2+]C1 ZINC001160182218 1382027002 /nfs/dbraw/zinc/02/70/02/1382027002.db2.gz UDPMRTYOONMPPX-GFCCVEGCSA-N 1 0 347.346 3.227 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1Nc1ccccc1O[C@H]1CCC[NH2+]C1 ZINC001160234395 1382042145 /nfs/dbraw/zinc/04/21/45/1382042145.db2.gz WNNHFLDUVOKZLV-AWEZNQCLSA-N 1 0 343.383 3.478 20 5 EGBDRO [NH3+]Cc1nccnc1Nc1ccc2ccc3ccc(Cl)nc3c2n1 ZINC001160245933 1382047856 /nfs/dbraw/zinc/04/78/56/1382047856.db2.gz OXHZSUMOAYIQDM-UHFFFAOYSA-N 1 0 336.786 3.429 20 5 EGBDRO C[C@@H](C[NH3+])CN(Cc1ccccc1)c1cc([N+](=O)[O-])c2cc[nH]c2n1 ZINC001160666511 1382165688 /nfs/dbraw/zinc/16/56/88/1382165688.db2.gz YVKNIMYXULPOGH-ZDUSSCGKSA-N 1 0 339.399 3.073 20 5 EGBDRO O=[N+]([O-])c1cccc2nc(NCC[NH+]3CCC(F)(F)CC3)ccc21 ZINC001160748945 1382186188 /nfs/dbraw/zinc/18/61/88/1382186188.db2.gz FQBIZYBLMAVCMK-UHFFFAOYSA-N 1 0 336.342 3.286 20 5 EGBDRO O=[N+]([O-])c1ccc2cnn(C[N@@H+]3CCC[C@@H]([C@@H]4CCCCO4)C3)c2c1 ZINC001328553512 1388773518 /nfs/dbraw/zinc/77/35/18/1388773518.db2.gz PRJCYTPICOWKFE-QAPCUYQASA-N 1 0 344.415 3.183 20 5 EGBDRO Cc1nc(Cl)nc(N[C@H]2CC[N@H+](CC3CCCC3)C2)c1[N+](=O)[O-] ZINC001161182393 1382330767 /nfs/dbraw/zinc/33/07/67/1382330767.db2.gz XOZMGGQZPNKJED-LBPRGKRZSA-N 1 0 339.827 3.023 20 5 EGBDRO COc1nc(N(CC(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)ccc1[N+](=O)[O-] ZINC001161675021 1382477351 /nfs/dbraw/zinc/47/73/51/1382477351.db2.gz IPRLJBKSVHTIMV-JOCQHMNTSA-N 1 0 336.436 3.121 20 5 EGBDRO [NH3+]CCN(c1cccc2ccccc21)c1ncnc2[nH]cc([N+](=O)[O-])c21 ZINC001162004728 1382596974 /nfs/dbraw/zinc/59/69/74/1382596974.db2.gz FQTNBEGTCLWTIA-UHFFFAOYSA-N 1 0 348.366 3.116 20 5 EGBDRO [NH3+]CCN(c1cnc(F)c([N+](=O)[O-])c1)c1cccc2ccccc21 ZINC001162007376 1382597915 /nfs/dbraw/zinc/59/79/15/1382597915.db2.gz NGIRQGRSUATPJP-UHFFFAOYSA-N 1 0 326.331 3.379 20 5 EGBDRO [NH3+][C@H]1CC[C@H](N(CC2CCCC2)c2ncc(F)cc2[N+](=O)[O-])CC1 ZINC001162186040 1382651819 /nfs/dbraw/zinc/65/18/19/1382651819.db2.gz FPIXGLWBOZMYQO-SHTZXODSSA-N 1 0 336.411 3.395 20 5 EGBDRO Cc1cc(N2Cc3ccccc3C[C@H]2C[NH3+])nc2ccc([N+](=O)[O-])cc12 ZINC001162740909 1382853787 /nfs/dbraw/zinc/85/37/87/1382853787.db2.gz ZMJKUGDWKOKTGR-KRWDZBQOSA-N 1 0 348.406 3.341 20 5 EGBDRO CC(C)(C)c1cnc(N2C[C@@H]([NH3+])Cc3ccccc32)c([N+](=O)[O-])c1 ZINC001162845075 1382892986 /nfs/dbraw/zinc/89/29/86/1382892986.db2.gz RFXMNODIEUNIFH-AWEZNQCLSA-N 1 0 326.400 3.309 20 5 EGBDRO O=C(NCCC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1)C1CCCC1 ZINC001163128566 1382971244 /nfs/dbraw/zinc/97/12/44/1382971244.db2.gz ZXPMUVFOGDUYGG-UHFFFAOYSA-N 1 0 345.443 3.161 20 5 EGBDRO CC(C)CC(=O)NCCC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001163202785 1382992002 /nfs/dbraw/zinc/99/20/02/1382992002.db2.gz ZJKYMTRMXNDWFJ-UHFFFAOYSA-N 1 0 333.432 3.017 20 5 EGBDRO [NH3+]Cc1ccc(-c2cn(-c3nccc4cc([N+](=O)[O-])ccc43)cn2)cc1 ZINC001163223569 1382997847 /nfs/dbraw/zinc/99/78/47/1382997847.db2.gz PRPSLLHPBAXUMC-UHFFFAOYSA-N 1 0 345.362 3.454 20 5 EGBDRO CCC(CC)C(=O)NCCC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001163510277 1383069533 /nfs/dbraw/zinc/06/95/33/1383069533.db2.gz GKQALRXKEXVITP-UHFFFAOYSA-N 1 0 347.459 3.407 20 5 EGBDRO C[N@@H+]1CCN(c2cc(Cl)cc([N+](=O)[O-])n2)[C@H](c2ccccc2)C1 ZINC001163669291 1383101292 /nfs/dbraw/zinc/10/12/92/1383101292.db2.gz MFJBBPGSSOHDNW-AWEZNQCLSA-N 1 0 332.791 3.136 20 5 EGBDRO C[N@@H+]1CCN(c2ncnc3cccc([N+](=O)[O-])c32)[C@H](c2ccccc2)C1 ZINC001163674787 1383102552 /nfs/dbraw/zinc/10/25/52/1383102552.db2.gz QYSBKJNLLQIBQN-KRWDZBQOSA-N 1 0 349.394 3.031 20 5 EGBDRO CC/C=C(\C)C(=O)NCCC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001163676851 1383103629 /nfs/dbraw/zinc/10/36/29/1383103629.db2.gz MDWFSMPHIUNSDS-PJQLUOCWSA-N 1 0 345.443 3.327 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(-n2c(C)c(C)c3cc(C[NH3+])ccc32)n1 ZINC001163756097 1383118149 /nfs/dbraw/zinc/11/81/49/1383118149.db2.gz TWDYYPAJJQPSKT-UHFFFAOYSA-N 1 0 326.356 3.018 20 5 EGBDRO C[NH+]1CCC(C2CCN(c3nccc(Cl)c3[N+](=O)[O-])CC2)CC1 ZINC001165065133 1383220375 /nfs/dbraw/zinc/22/03/75/1383220375.db2.gz FGJCXERGMQDZEH-UHFFFAOYSA-N 1 0 338.839 3.201 20 5 EGBDRO Cc1nc(N2C[C@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001165090772 1383226669 /nfs/dbraw/zinc/22/66/69/1383226669.db2.gz ZQLQODRZCZFGQY-SJLPKXTDSA-N 1 0 338.411 3.009 20 5 EGBDRO CN(CC[NH+]1CCCC1)c1ccc2c(ccc(Cl)c2[N+](=O)[O-])n1 ZINC001165141465 1383235901 /nfs/dbraw/zinc/23/59/01/1383235901.db2.gz XTTIIALRQSNELK-UHFFFAOYSA-N 1 0 334.807 3.328 20 5 EGBDRO Cc1cc([N+](=O)[O-])cnc1N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001165200768 1383246498 /nfs/dbraw/zinc/24/64/98/1383246498.db2.gz GOLNBDMQSDFBEU-CVEARBPZSA-N 1 0 340.427 3.397 20 5 EGBDRO C[N@@H+]1CCC[C@H](CCNc2ccc(-c3cccc([N+](=O)[O-])c3)nn2)C1 ZINC001165273545 1383263684 /nfs/dbraw/zinc/26/36/84/1383263684.db2.gz SVVDTIAOUCMTMS-CQSZACIVSA-N 1 0 341.415 3.196 20 5 EGBDRO Cc1cc(Cl)nc(N2CCCC[C@@H]2C2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001165319012 1383272307 /nfs/dbraw/zinc/27/23/07/1383272307.db2.gz GFVZGRRYGVFSHT-CYBMUJFWSA-N 1 0 338.839 3.310 20 5 EGBDRO O=[N+]([O-])c1c(Cl)ccc2nc(N3CCC(C4C[NH2+]C4)CC3)ccc21 ZINC001165409741 1383289140 /nfs/dbraw/zinc/28/91/40/1383289140.db2.gz PTBQSHUOFXNVQA-UHFFFAOYSA-N 1 0 346.818 3.232 20 5 EGBDRO Cc1cccc(C)c1C(=O)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001167245593 1383573982 /nfs/dbraw/zinc/57/39/82/1383573982.db2.gz KHPDYUNOCFRCLR-UHFFFAOYSA-N 1 0 347.440 3.183 20 5 EGBDRO Cc1c(Cl)nc(-c2ccc([N+](=O)[O-])cc2)nc1-n1cccc1C[NH3+] ZINC001167590161 1383682245 /nfs/dbraw/zinc/68/22/45/1383682245.db2.gz TYWLLYDNXPOAQU-UHFFFAOYSA-N 1 0 343.774 3.263 20 5 EGBDRO Cc1cccc(NC2(C(=O)OC(C)(C)C)CCC([NH3+])CC2)c1[N+](=O)[O-] ZINC001167642635 1383696603 /nfs/dbraw/zinc/69/66/03/1383696603.db2.gz OXIWGEBYJQHIPL-UHFFFAOYSA-N 1 0 349.431 3.297 20 5 EGBDRO [NH3+]CCc1cn(-c2ccc([N+](=O)[O-])c3cnccc32)c2ccc(O)cc12 ZINC001167983126 1383786715 /nfs/dbraw/zinc/78/67/15/1383786715.db2.gz QKQDJQVJJPKZRI-UHFFFAOYSA-N 1 0 348.362 3.294 20 5 EGBDRO [NH3+][C@H]1CCc2nn(-c3nc4c(ccc5ccccc54)nc3Cl)cc2C1 ZINC001168815881 1384016565 /nfs/dbraw/zinc/01/65/65/1384016565.db2.gz LLYJAWIBPQVAJF-ZDUSSCGKSA-N 1 0 349.825 3.438 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CCCc2cncc(C(F)(F)F)c2)C1 ZINC001168959383 1384070889 /nfs/dbraw/zinc/07/08/89/1384070889.db2.gz VJEGXPFCYCWLIG-TZMCWYRMSA-N 1 0 331.338 3.068 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CCc2ccccc2Br)C1 ZINC001168960785 1384071527 /nfs/dbraw/zinc/07/15/27/1384071527.db2.gz HBRHTASATPBIHF-YPMHNXCESA-N 1 0 327.222 3.027 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2cc(OC(F)(F)F)ccc2F)C1 ZINC001168968804 1384073301 /nfs/dbraw/zinc/07/33/01/1384073301.db2.gz AKYYSPOTQPBUMF-KOLCDFICSA-N 1 0 336.285 3.259 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2ccc(Br)c(F)c2)C1 ZINC001168975811 1384076994 /nfs/dbraw/zinc/07/69/94/1384076994.db2.gz XHNBSOVRHLFGBY-MNOVXSKESA-N 1 0 331.185 3.123 20 5 EGBDRO Cc1cc(Br)ccc1C[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168984993 1384079266 /nfs/dbraw/zinc/07/92/66/1384079266.db2.gz RNNGDFZBQBEXOP-RISCZKNCSA-N 1 0 327.222 3.293 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CC[C@@H]2CCc3ccc4c(c32)CCO4)C1 ZINC001168984727 1384079436 /nfs/dbraw/zinc/07/94/36/1384079436.db2.gz QFUBFLPMSUYJDD-VNQPRFMTSA-N 1 0 330.428 3.076 20 5 EGBDRO COc1ccc(CC2(C[NH2+][C@H]3CC[C@H](C[N+](=O)[O-])C3)CCC2)cc1 ZINC001168997729 1384083167 /nfs/dbraw/zinc/08/31/67/1384083167.db2.gz FFSGDDKXDSCTOO-IRXDYDNUSA-N 1 0 332.444 3.443 20 5 EGBDRO COc1ccccc1CC1(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCC1 ZINC001168998064 1384083316 /nfs/dbraw/zinc/08/33/16/1384083316.db2.gz HUXWFAVOOXXCDR-NVXWUHKLSA-N 1 0 332.444 3.443 20 5 EGBDRO C[N@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C1CCN(Cc2ccccc2)CC1 ZINC001169010028 1384088915 /nfs/dbraw/zinc/08/89/15/1384088915.db2.gz AIISPEMYWOAUOT-MJGOQNOKSA-N 1 0 331.460 3.028 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2C[C@H]3CCC[C@@]3(COc3cccnc3)C2)C1 ZINC001169025252 1384092312 /nfs/dbraw/zinc/09/23/12/1384092312.db2.gz SYSVKVIESPKMQP-MTNOOBJLSA-N 1 0 345.443 3.008 20 5 EGBDRO Cc1cc(C[N@H+](Cc2ccccc2)[C@@H]2CC[C@H](C[N+](=O)[O-])C2)on1 ZINC001169039232 1384098673 /nfs/dbraw/zinc/09/86/73/1384098673.db2.gz OMLFFSLHQWHWID-DLBZAZTESA-N 1 0 329.400 3.431 20 5 EGBDRO CC[C@H]1CN(Cc2ccccc2)CC[N@@H+]1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169046821 1384100222 /nfs/dbraw/zinc/10/02/22/1384100222.db2.gz NMTNFRXBWHEYGT-CEXWTWQISA-N 1 0 331.460 3.028 20 5 EGBDRO COC(=O)c1ccc([C@@H]2CCC[N@@H+]2[C@@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001169057839 1384101824 /nfs/dbraw/zinc/10/18/24/1384101824.db2.gz XYQPAMUROFLCTP-XKQJLSEDSA-N 1 0 332.400 3.056 20 5 EGBDRO [NH3+]Cc1ccc2c(n1)N(c1ccc3ncccc3c1[N+](=O)[O-])CCC2 ZINC001169591129 1384162842 /nfs/dbraw/zinc/16/28/42/1384162842.db2.gz SJJHEFWCSLAVDE-UHFFFAOYSA-N 1 0 335.367 3.081 20 5 EGBDRO Cc1cc(C)c(N2CCCc3ccc(C[NH3+])nc32)c(C)c1[N+](=O)[O-] ZINC001169592221 1384163118 /nfs/dbraw/zinc/16/31/18/1384163118.db2.gz JHWFMLVYPPHMJR-UHFFFAOYSA-N 1 0 326.400 3.458 20 5 EGBDRO CC(C)(C)c1ccc(-n2nnc3ccc(C[NH3+])cc32)c([N+](=O)[O-])c1 ZINC001170024171 1384220656 /nfs/dbraw/zinc/22/06/56/1384220656.db2.gz OSZBNFFVWOTULN-UHFFFAOYSA-N 1 0 325.372 3.085 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+]CC(=O)c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC001170297174 1384284945 /nfs/dbraw/zinc/28/49/45/1384284945.db2.gz LOGWPUJMYHBCHP-GFCCVEGCSA-N 1 0 346.358 3.146 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+][C@@H]2COc3ccccc32)c([N+](=O)[O-])c1 ZINC001170305623 1384286859 /nfs/dbraw/zinc/28/68/59/1384286859.db2.gz OFKREEIMENRPCA-BLLLJJGKSA-N 1 0 328.368 3.258 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+]Cc2sc(C)nc2C)c([N+](=O)[O-])c1 ZINC001170306466 1384287250 /nfs/dbraw/zinc/28/72/50/1384287250.db2.gz VRZZLMUHYZENEY-JTQLQIEISA-N 1 0 335.429 3.398 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+]Cc2c(F)cccc2OC)c([N+](=O)[O-])c1 ZINC001170310515 1384288131 /nfs/dbraw/zinc/28/81/31/1384288131.db2.gz XOUAIJGQQHMUOZ-LBPRGKRZSA-N 1 0 348.374 3.472 20 5 EGBDRO COc1ccc(C[C@@H](C)NC(=[NH2+])c2cccnc2Cl)c([N+](=O)[O-])c1 ZINC001170314395 1384288248 /nfs/dbraw/zinc/28/82/48/1384288248.db2.gz VBEZVLKVGFYMTC-SNVBAGLBSA-N 1 0 348.790 3.198 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2ccc3ocnc3c2)c([N+](=O)[O-])c1 ZINC001170313819 1384288746 /nfs/dbraw/zinc/28/87/46/1384288746.db2.gz RPLHSRTWIKVXLI-GFCCVEGCSA-N 1 0 341.367 3.465 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2ccc(O)cc2F)c([N+](=O)[O-])c1 ZINC001170317340 1384289255 /nfs/dbraw/zinc/28/92/55/1384289255.db2.gz GGOJXMDOKKMTDP-LLVKDONJSA-N 1 0 334.347 3.169 20 5 EGBDRO COc1ccc(C[C@H](C)Nc2ccc(C[NH3+])c(F)c2)c([N+](=O)[O-])c1 ZINC001170327920 1384291929 /nfs/dbraw/zinc/29/19/29/1384291929.db2.gz SNCUOGICYDUQFE-NSHDSACASA-N 1 0 333.363 3.244 20 5 EGBDRO COc1ccc(C[C@H](C)[N@@H+]2CC[C@@H](C)[C@](C)(O)CC2)c([N+](=O)[O-])c1 ZINC001170329518 1384292767 /nfs/dbraw/zinc/29/27/67/1384292767.db2.gz QIWMSNWGCSVVMP-QWQRMKEZSA-N 1 0 336.432 3.017 20 5 EGBDRO COc1ccc(C[C@@H](C)[N@@H+]2CCc3nc(C)sc3C2)c([N+](=O)[O-])c1 ZINC001170345379 1384295612 /nfs/dbraw/zinc/29/56/12/1384295612.db2.gz JOLXMJSCQDZWQR-LLVKDONJSA-N 1 0 347.440 3.358 20 5 EGBDRO CCN(CC[NH+](CC)CC)[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170345219 1384296246 /nfs/dbraw/zinc/29/62/46/1384296246.db2.gz IDXMBHNDRITKTD-HNNXBMFYSA-N 1 0 337.464 3.198 20 5 EGBDRO CCCOC1CC[NH+]([C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC001170347481 1384296568 /nfs/dbraw/zinc/29/65/68/1384296568.db2.gz RFPYRPPUEQYBQG-CQSZACIVSA-N 1 0 336.432 3.425 20 5 EGBDRO COc1ccc(C[C@@H](C)[N@H+](C)CCc2ccncc2)c([N+](=O)[O-])c1 ZINC001170347046 1384296876 /nfs/dbraw/zinc/29/68/76/1384296876.db2.gz PRTGGEZJJVMTQT-CQSZACIVSA-N 1 0 329.400 3.104 20 5 EGBDRO COc1ccc(C[C@H](C)[N@H+](C(C)C)C2CCOCC2)c([N+](=O)[O-])c1 ZINC001170355624 1384298995 /nfs/dbraw/zinc/29/89/95/1384298995.db2.gz MWIWYAGDLBBPRA-AWEZNQCLSA-N 1 0 336.432 3.424 20 5 EGBDRO [NH3+]C[C@@H]1COc2ccccc2N1c1ccc2ncccc2c1[N+](=O)[O-] ZINC001171394720 1384511269 /nfs/dbraw/zinc/51/12/69/1384511269.db2.gz UKFYQESXGAOJPW-GFCCVEGCSA-N 1 0 336.351 3.001 20 5 EGBDRO [NH3+]C[C@H]1COc2ccccc2N1c1ccc2ncccc2c1[N+](=O)[O-] ZINC001171394721 1384511347 /nfs/dbraw/zinc/51/13/47/1384511347.db2.gz UKFYQESXGAOJPW-LBPRGKRZSA-N 1 0 336.351 3.001 20 5 EGBDRO O=C(C[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1ccc(F)cc1 ZINC001172900365 1384874181 /nfs/dbraw/zinc/87/41/81/1384874181.db2.gz SPJSKLNSMOBCMA-KRWDZBQOSA-N 1 0 342.370 3.454 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@H]1c3ccccc3C[C@@H]1O)CC2 ZINC001172904333 1384874555 /nfs/dbraw/zinc/87/45/55/1384874555.db2.gz XBBCBTFJDYIKOB-UXPWSPDFSA-N 1 0 338.407 3.090 20 5 EGBDRO [NH3+]C[C@H]1CN([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)c2ccccc21 ZINC001172903618 1384874651 /nfs/dbraw/zinc/87/46/51/1384874651.db2.gz RWUCTMMURUNWGG-DLBZAZTESA-N 1 0 337.423 3.405 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@H]1CCN(C3CCC3)C1)CC2 ZINC001172903822 1384874799 /nfs/dbraw/zinc/87/47/99/1384874799.db2.gz JMYBYVWOPHKEDB-IRXDYDNUSA-N 1 0 329.444 3.059 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH+]1CCC3(C[C@H]3CCO)CC1)CC2 ZINC001172904205 1384875197 /nfs/dbraw/zinc/87/51/97/1384875197.db2.gz MARPHDCEEYIQKN-MSOLQXFVSA-N 1 0 344.455 3.327 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CC[C@@H](N3CCCCC3)C1)CC2 ZINC001172915075 1384877615 /nfs/dbraw/zinc/87/76/15/1384877615.db2.gz KZFTYBRXGHBZNB-UYAOXDASSA-N 1 0 343.471 3.402 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH+]1CCC(n3cccn3)CC1)CC2 ZINC001172922638 1384879817 /nfs/dbraw/zinc/87/98/17/1384879817.db2.gz ZNEZEEJQNSNBRT-QGZVFWFLSA-N 1 0 340.427 3.376 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CCC2CCOCC2)c1F ZINC001173175141 1384931798 /nfs/dbraw/zinc/93/17/98/1384931798.db2.gz LAWDYSPHTHYKTR-GFCCVEGCSA-N 1 0 340.395 3.080 20 5 EGBDRO COC(=O)c1ccccc1C[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173214789 1384936847 /nfs/dbraw/zinc/93/68/47/1384936847.db2.gz QEQWLOZZJSMBCR-CYBMUJFWSA-N 1 0 328.368 3.102 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1(C)CN(C(=O)OC(C)(C)C)C1 ZINC001173211899 1384936907 /nfs/dbraw/zinc/93/69/07/1384936907.db2.gz VCIVFMZYXPZSKG-CYBMUJFWSA-N 1 0 349.431 3.125 20 5 EGBDRO COc1cccc(CC[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)c1OC ZINC001173212639 1384937038 /nfs/dbraw/zinc/93/70/38/1384937038.db2.gz BZXBPPIKILNJCF-CQSZACIVSA-N 1 0 344.411 3.375 20 5 EGBDRO COc1ccc(C2([NH2+][C@H](C)Cc3ccc([N+](=O)[O-])cc3)COC2)cc1 ZINC001173218529 1384937627 /nfs/dbraw/zinc/93/76/27/1384937627.db2.gz PSYYBNHGRGEFJI-CQSZACIVSA-N 1 0 342.395 3.050 20 5 EGBDRO COC[C@H](Cc1ccccc1)[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173219604 1384938208 /nfs/dbraw/zinc/93/82/08/1384938208.db2.gz OEUMOGYDQFYCMN-QAPCUYQASA-N 1 0 328.412 3.373 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](Oc2ccccn2)C1 ZINC001173229779 1384940948 /nfs/dbraw/zinc/94/09/48/1384940948.db2.gz AAVCOFUAHUGVIW-PBHICJAKSA-N 1 0 327.384 3.074 20 5 EGBDRO CC(=O)N(C(C)C)C1CC[NH+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173232647 1384941662 /nfs/dbraw/zinc/94/16/62/1384941662.db2.gz SBTPLNCUXLKLBA-HNNXBMFYSA-N 1 0 347.459 3.247 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](CO)Cc1ccccc1Cl ZINC001173233886 1384941737 /nfs/dbraw/zinc/94/17/37/1384941737.db2.gz KRNALBUDNUUAGS-CJNGLKHVSA-N 1 0 348.830 3.372 20 5 EGBDRO Cc1noc(C2CC[NH+]([C@H](C)Cc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC001173234771 1384941920 /nfs/dbraw/zinc/94/19/20/1384941920.db2.gz TYGFXJRPURSDNT-GFCCVEGCSA-N 1 0 330.388 3.097 20 5 EGBDRO CC[NH+]1CCN(Cc2ccc(Nc3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC001174478127 1385112773 /nfs/dbraw/zinc/11/27/73/1385112773.db2.gz OPJYEQAAVQVKSR-UHFFFAOYSA-N 1 0 340.427 3.476 20 5 EGBDRO COc1ccc(Nc2cc(C)nn2-c2cc[nH+]cc2)cc1[N+](=O)[O-] ZINC001176363457 1385564977 /nfs/dbraw/zinc/56/49/77/1385564977.db2.gz MIGCZHFDQACISH-UHFFFAOYSA-N 1 0 325.328 3.236 20 5 EGBDRO COc1ccc(Nc2ccc(OCC[NH+](C)C)cc2)cc1[N+](=O)[O-] ZINC001176364120 1385565179 /nfs/dbraw/zinc/56/51/79/1385565179.db2.gz ZNHNYBQTZIRTBN-UHFFFAOYSA-N 1 0 331.372 3.287 20 5 EGBDRO CC1(C)C(C)(C)C1(C)C(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001177540976 1385989779 /nfs/dbraw/zinc/98/97/79/1385989779.db2.gz YDBQLUJIPDUQGO-UHFFFAOYSA-N 1 0 347.459 3.263 20 5 EGBDRO O=C(CC1CC1)NCCCCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001177742803 1386031665 /nfs/dbraw/zinc/03/16/65/1386031665.db2.gz KTPBEBRRJOCGBA-UHFFFAOYSA-N 1 0 333.432 3.161 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H]1CCCC[C@H]1[NH+](C)C ZINC001319519713 1386157674 /nfs/dbraw/zinc/15/76/74/1386157674.db2.gz NRBCEZJLFTXFKJ-DZGCQCFKSA-N 1 0 334.420 3.206 20 5 EGBDRO CC1(C(=O)NCCCCCC[NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC001178546883 1386246050 /nfs/dbraw/zinc/24/60/50/1386246050.db2.gz DASGRKMTTVXNLT-UHFFFAOYSA-N 1 0 339.461 3.223 20 5 EGBDRO CS[C@H]1CC[C@@H]([N@H+](C)Cn2nc(C)c3cc([N+](=O)[O-])ccc32)C1 ZINC001319748830 1386278855 /nfs/dbraw/zinc/27/88/55/1386278855.db2.gz CBONLMGNWWTNDP-OCCSQVGLSA-N 1 0 334.445 3.426 20 5 EGBDRO O=[N+]([O-])c1ccccc1N1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC001320031978 1386463603 /nfs/dbraw/zinc/46/36/03/1386463603.db2.gz NOZPLNPLBKWPSS-UHFFFAOYSA-N 1 0 329.375 3.099 20 5 EGBDRO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CC[C@@H]3CCCC[C@@H]3C1)OCCO2 ZINC001320475296 1386620400 /nfs/dbraw/zinc/62/04/00/1386620400.db2.gz LIOMYOPYEBCPAP-UONOGXRCSA-N 1 0 332.400 3.378 20 5 EGBDRO CC(C)(C)C(=O)NCCCCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001180126865 1386705836 /nfs/dbraw/zinc/70/58/36/1386705836.db2.gz HGVSAVPHMRMYAG-UHFFFAOYSA-N 1 0 335.448 3.407 20 5 EGBDRO CCC[NH+]1CCC(N(C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)CC1 ZINC001331748098 1389865200 /nfs/dbraw/zinc/86/52/00/1389865200.db2.gz BCJANZGNEYLOFM-UHFFFAOYSA-N 1 0 338.383 3.072 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)c1C ZINC001334401502 1390532520 /nfs/dbraw/zinc/53/25/20/1390532520.db2.gz GSNHFTFLYWXGKO-CQSZACIVSA-N 1 0 347.459 3.454 20 5 EGBDRO COC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC001343246742 1390702265 /nfs/dbraw/zinc/70/22/65/1390702265.db2.gz NSKLNZHOTKOAIG-OLZOCXBDSA-N 1 0 344.367 3.286 20 5 EGBDRO C[C@@H](C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)[C@H]([NH3+])c1ccccc1 ZINC001344790320 1390815001 /nfs/dbraw/zinc/81/50/01/1390815001.db2.gz VFFVNXSADQBSTD-IGCXYCKISA-N 1 0 327.384 3.108 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]Cc2cc(-c3ccccc3)no2)cc1 ZINC001346137277 1390910325 /nfs/dbraw/zinc/91/03/25/1390910325.db2.gz WWSOGXNGZKVELH-SFHVURJKSA-N 1 0 339.351 3.073 20 5 EGBDRO CCC1(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3cccc([N+](=O)[O-])c3)C2)CCC1 ZINC001755475886 1440859458 /nfs/dbraw/zinc/85/94/58/1440859458.db2.gz FGRQRFDITAPARH-WKILWMFISA-N 1 0 345.443 3.160 20 5 EGBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000485417182 719254803 /nfs/dbraw/zinc/25/48/03/719254803.db2.gz PRXNVKDCVUUWLO-CHWSQXEVSA-N 1 0 344.390 3.325 20 5 EGBDRO C[NH+](C)[C@@H]1CCCN(c2nc3ccccc3c(Cl)c2[N+](=O)[O-])C1 ZINC001165037323 721890083 /nfs/dbraw/zinc/89/00/83/721890083.db2.gz BHPUVQOHEKNWQB-LLVKDONJSA-N 1 0 334.807 3.327 20 5 EGBDRO O=[N+]([O-])c1c[nH]c2ccc(N3CCCC[C@H]3CC[NH+]3CCCC3)nc21 ZINC001165048059 721972620 /nfs/dbraw/zinc/97/26/20/721972620.db2.gz IQANRBYGHWGKIM-AWEZNQCLSA-N 1 0 343.431 3.316 20 5 EGBDRO Cn1nccc1[C@@H]1CCC[C@H]([NH2+]CCc2ccccc2[N+](=O)[O-])C1 ZINC000368453459 168358071 /nfs/dbraw/zinc/35/80/71/168358071.db2.gz GHSXIIKJGRXODV-CVEARBPZSA-N 1 0 328.416 3.187 20 5 EGBDRO Nc1ccc(NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000368552492 168371464 /nfs/dbraw/zinc/37/14/64/168371464.db2.gz YWLYCZAIKZDUFG-HNNXBMFYSA-N 1 0 326.400 3.111 20 5 EGBDRO CC[C@@]1(CO)CCC[N@@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000191011625 529562638 /nfs/dbraw/zinc/56/26/38/529562638.db2.gz UGVTUFOSLBSVLX-KRWDZBQOSA-N 1 0 347.440 3.455 20 5 EGBDRO C[N@H+](CCc1cccs1)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000174159103 529936591 /nfs/dbraw/zinc/93/65/91/529936591.db2.gz HYGAEYLVOZZSSS-UHFFFAOYSA-N 1 0 344.396 3.381 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)N2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000178691154 232381537 /nfs/dbraw/zinc/38/15/37/232381537.db2.gz WRRLHLAZUCZUQK-LSDHHAIUSA-N 1 0 333.432 3.201 20 5 EGBDRO Cc1nccn1C[C@H](C)C[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000178708229 232393867 /nfs/dbraw/zinc/39/38/67/232393867.db2.gz ZXNNEAZOQDYPKY-HUUCEWRRSA-N 1 0 330.432 3.347 20 5 EGBDRO Cc1c(C[N@@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)cccc1[N+](=O)[O-] ZINC000179514816 233125481 /nfs/dbraw/zinc/12/54/81/233125481.db2.gz IBHJIJOFYMFAMH-HNNXBMFYSA-N 1 0 341.415 3.278 20 5 EGBDRO C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181655479 234270808 /nfs/dbraw/zinc/27/08/08/234270808.db2.gz NPTSKMJREPHZOJ-STQMWFEESA-N 1 0 349.406 3.117 20 5 EGBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H](c1ccccc1)C1CC1 ZINC000182198091 234495916 /nfs/dbraw/zinc/49/59/16/234495916.db2.gz GZAUTFBKQCRTRU-VQIMIIECSA-N 1 0 342.395 3.075 20 5 EGBDRO C[C@](O)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)c1ccsc1 ZINC000183809898 235232962 /nfs/dbraw/zinc/23/29/62/235232962.db2.gz QGLJJQIHOXJFKG-AWEZNQCLSA-N 1 0 326.805 3.307 20 5 EGBDRO CCC[N@H+](Cc1c([N+](=O)[O-])ncn1C)[C@H]1CCc2ccccc2C1 ZINC000355542054 283292160 /nfs/dbraw/zinc/29/21/60/283292160.db2.gz JKRNMBUESJIDNG-INIZCTEOSA-N 1 0 328.416 3.098 20 5 EGBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000375463823 242058136 /nfs/dbraw/zinc/05/81/36/242058136.db2.gz GIAHYKDNDGYBAG-FZMZJTMJSA-N 1 0 328.372 3.406 20 5 EGBDRO Cc1nc(C)n(C[C@@H]2CCC[N@@H+]([C@H](C)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC000246990555 243351392 /nfs/dbraw/zinc/35/13/92/243351392.db2.gz AXIVKAFRKFZSPP-CZUORRHYSA-N 1 0 343.431 3.276 20 5 EGBDRO COc1cc(NC[C@H](c2ccco2)[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000266155049 248134852 /nfs/dbraw/zinc/13/48/52/248134852.db2.gz UZJGXWGWVYEQNX-OAHLLOKOSA-N 1 0 331.372 3.445 20 5 EGBDRO CC(C)[NH+]1CCC(Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000266147037 248130245 /nfs/dbraw/zinc/13/02/45/248130245.db2.gz IZVOLXIQIYBZTG-UHFFFAOYSA-N 1 0 329.347 3.481 20 5 EGBDRO CC[NH+](CC)[C@@H]1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000089907065 217879819 /nfs/dbraw/zinc/87/98/19/217879819.db2.gz WJFHPDSFQIEWJO-QGZVFWFLSA-N 1 0 344.415 3.166 20 5 EGBDRO CCN(CC[NH+]1CCCCCC1)C(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000345475144 284927572 /nfs/dbraw/zinc/92/75/72/284927572.db2.gz WRELSOLUSCRDTF-UHFFFAOYSA-N 1 0 333.432 3.241 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@@H]1CSCCS1)C1CC1 ZINC000165713332 285161327 /nfs/dbraw/zinc/16/13/27/285161327.db2.gz QYBLBHODKAMPAE-HUUCEWRRSA-N 1 0 338.498 3.354 20 5 EGBDRO C[C@H](c1ccncc1)[NH+]1CCC(Nc2ccc([N+](=O)[O-])cn2)CC1 ZINC000119260698 221278675 /nfs/dbraw/zinc/27/86/75/221278675.db2.gz BNGSTDREWSMMIM-CYBMUJFWSA-N 1 0 327.388 3.022 20 5 EGBDRO C[C@@H]([NH2+][C@H]1CCN(c2ccccc2F)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000178655812 533544827 /nfs/dbraw/zinc/54/48/27/533544827.db2.gz ZJBDPZXCTPVRMS-WBMJQRKESA-N 1 0 343.358 3.190 20 5 EGBDRO C[C@@H](CCNC(=O)c1cc([N+](=O)[O-])ccc1Cl)[NH+]1CCCCC1 ZINC000182917444 533604030 /nfs/dbraw/zinc/60/40/30/533604030.db2.gz JDFPSCCOZFOVJA-LBPRGKRZSA-N 1 0 339.823 3.243 20 5 EGBDRO COc1ccc(-c2ccc(CNC3CC[NH+](C)CC3)o2)c([N+](=O)[O-])c1 ZINC000237424478 141002311 /nfs/dbraw/zinc/00/23/11/141002311.db2.gz OXLVQCGPFHMSDD-UHFFFAOYSA-N 1 0 345.399 3.047 20 5 EGBDRO COc1cc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)ccc1[N+](=O)[O-] ZINC000269436774 141060175 /nfs/dbraw/zinc/06/01/75/141060175.db2.gz RKMOIWCNLGKCPA-BBRMVZONSA-N 1 0 331.416 3.057 20 5 EGBDRO Cc1cc(NC(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000338357488 141106130 /nfs/dbraw/zinc/10/61/30/141106130.db2.gz OVLPWNJQDMVFEF-UONOGXRCSA-N 1 0 334.420 3.288 20 5 EGBDRO Cc1cc([N+](=O)[O-])cnc1NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000353447588 141297644 /nfs/dbraw/zinc/29/76/44/141297644.db2.gz IUGVMQTWYAXFMP-HNNXBMFYSA-N 1 0 328.416 3.043 20 5 EGBDRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000356250074 141328371 /nfs/dbraw/zinc/32/83/71/141328371.db2.gz HTDHMQBTXQTGCS-ZDUSSCGKSA-N 1 0 344.415 3.070 20 5 EGBDRO CCOC(=O)C[C@](C)([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)C(C)C ZINC000185231866 144108130 /nfs/dbraw/zinc/10/81/30/144108130.db2.gz UQNWSKWLVHOIKM-KRWDZBQOSA-N 1 0 338.404 3.061 20 5 EGBDRO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)[C@H]1COc2ccccc21 ZINC000185575275 144115208 /nfs/dbraw/zinc/11/52/08/144115208.db2.gz QYFZLSVFTWSDKX-SUMWQHHRSA-N 1 0 328.368 3.128 20 5 EGBDRO C[C@@H](C(=O)N1CCCC[C@@H]1c1ncc[nH]1)c1ccc([N+](=O)[O-])cc1F ZINC000185701062 144117835 /nfs/dbraw/zinc/11/78/35/144117835.db2.gz RQQFHBIVSKTIMD-IAQYHMDHSA-N 1 0 346.362 3.314 20 5 EGBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC(c3ccc(Cl)cc3)CC2)c1 ZINC000185799156 144119513 /nfs/dbraw/zinc/11/95/13/144119513.db2.gz XLPVFAQPKJAZET-UHFFFAOYSA-N 1 0 334.807 3.324 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H](O)C(F)F)o2)c(Cl)c1 ZINC000344774581 144222789 /nfs/dbraw/zinc/22/27/89/144222789.db2.gz NDMCIZBYNPZTMA-LBPRGKRZSA-N 1 0 346.717 3.224 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000344815496 144227419 /nfs/dbraw/zinc/22/74/19/144227419.db2.gz BPOFNLVTGWYNBA-JOQXAKKRSA-N 1 0 347.459 3.087 20 5 EGBDRO Cc1ccc(NC(=O)NCC[C@H](C)[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000344917342 144241681 /nfs/dbraw/zinc/24/16/81/144241681.db2.gz NHMMCWUVUZNORJ-AWEZNQCLSA-N 1 0 334.420 3.289 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCCn1nc(C)cc1C ZINC000344920660 144242157 /nfs/dbraw/zinc/24/21/57/144242157.db2.gz ZPTKJURYUMLUNZ-UVTDQMKNSA-N 1 0 328.416 3.491 20 5 EGBDRO C[N@H+](Cc1cc(I)cc([N+](=O)[O-])c1)C1CCC1 ZINC000351513870 144272856 /nfs/dbraw/zinc/27/28/56/144272856.db2.gz MUPSCCXOGCVRLC-UHFFFAOYSA-N 1 0 346.168 3.184 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CCC(OC[C@H]2CCOC2)CC1 ZINC000363856609 144372383 /nfs/dbraw/zinc/37/23/83/144372383.db2.gz XWCMZPMFYISTHI-WMHVBEDNSA-N 1 0 346.427 3.126 20 5 EGBDRO CC[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)[C@@H](C)C(C)C ZINC000120244550 152261576 /nfs/dbraw/zinc/26/15/76/152261576.db2.gz HZKQUCHQOJRTMC-ZDUSSCGKSA-N 1 0 335.404 3.259 20 5 EGBDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000121580135 152359572 /nfs/dbraw/zinc/35/95/72/152359572.db2.gz NDUVWLUEVZBAJT-AWEZNQCLSA-N 1 0 340.811 3.052 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000121948015 152381555 /nfs/dbraw/zinc/38/15/55/152381555.db2.gz NYLGIXJPBWTIHS-UHFFFAOYSA-N 1 0 345.374 3.034 20 5 EGBDRO CC(C)C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccccc1F ZINC000341616703 155384120 /nfs/dbraw/zinc/38/41/20/155384120.db2.gz NVWUPQOSEKNJSU-UHFFFAOYSA-N 1 0 347.390 3.054 20 5 EGBDRO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc2c(c1)CCC(=O)N2 ZINC000195235702 153389138 /nfs/dbraw/zinc/38/91/38/153389138.db2.gz KKAUIFBBVKVHCI-LBPRGKRZSA-N 1 0 325.368 3.330 20 5 EGBDRO C[C@@H](c1ccccc1)[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000302640373 154027432 /nfs/dbraw/zinc/02/74/32/154027432.db2.gz ZXGYZTPCCIBOTB-WMLDXEAASA-N 1 0 330.384 3.028 20 5 EGBDRO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCCC(C)(C)CC2)c([N+](=O)[O-])c1 ZINC000303947329 154061240 /nfs/dbraw/zinc/06/12/40/154061240.db2.gz UWYVVBMCYSQYAR-ZDUSSCGKSA-N 1 0 349.431 3.443 20 5 EGBDRO CCn1c(C)nc([N+](=O)[O-])c1NCCC[N@H+](C)Cc1ccccc1 ZINC000310088147 154138771 /nfs/dbraw/zinc/13/87/71/154138771.db2.gz HWKCYHCFAQHVBW-UHFFFAOYSA-N 1 0 331.420 3.054 20 5 EGBDRO Cn1cnc([N+](=O)[O-])c1NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000311147655 154147026 /nfs/dbraw/zinc/14/70/26/154147026.db2.gz MLWYDDFARPRANI-INIZCTEOSA-N 1 0 343.431 3.043 20 5 EGBDRO COc1cc(C[NH2+][C@@H]2CCCC[C@@H]2OC(F)F)c([N+](=O)[O-])cc1F ZINC000337394229 154329819 /nfs/dbraw/zinc/32/98/19/154329819.db2.gz IHMWUXBKOGKVFB-YPMHNXCESA-N 1 0 348.321 3.383 20 5 EGBDRO CC(C)Oc1ccccc1CN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000348895145 156278715 /nfs/dbraw/zinc/27/87/15/156278715.db2.gz PTIRXLLWZMJVGZ-UHFFFAOYSA-N 1 0 329.400 3.347 20 5 EGBDRO O=[N+]([O-])c1ccn(CC[NH+](Cc2ccccc2)Cc2ccccc2)n1 ZINC000358274510 156784497 /nfs/dbraw/zinc/78/44/97/156784497.db2.gz NNBMYQQVULQQBR-UHFFFAOYSA-N 1 0 336.395 3.494 20 5 EGBDRO CCOc1cc(C[N@@H+]2CCC[C@H](c3ccnn3C)C2)ccc1[N+](=O)[O-] ZINC000372805897 157387460 /nfs/dbraw/zinc/38/74/60/157387460.db2.gz HTNRPNFKYCHYLC-HNNXBMFYSA-N 1 0 344.415 3.107 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3coc4ccccc34)C2)nc1 ZINC000093534315 162015101 /nfs/dbraw/zinc/01/51/01/162015101.db2.gz OVYJJDDTSATRKM-AWEZNQCLSA-N 1 0 338.367 3.422 20 5 EGBDRO COCC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1ccc(C)o1 ZINC000125088153 162263035 /nfs/dbraw/zinc/26/30/35/162263035.db2.gz ZZVYVUCBQZHXPK-UHFFFAOYSA-N 1 0 334.372 3.024 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H]1CC(C)C ZINC000130356738 162365515 /nfs/dbraw/zinc/36/55/15/162365515.db2.gz UXLAXTRVOGWNQL-AWEZNQCLSA-N 1 0 349.431 3.443 20 5 EGBDRO Cc1c([C@@H](C)[NH2+]Cc2ccc(NC(N)=O)cc2)cccc1[N+](=O)[O-] ZINC000130928486 162383662 /nfs/dbraw/zinc/38/36/62/162383662.db2.gz YYQLGYBSBMXOTO-GFCCVEGCSA-N 1 0 328.372 3.245 20 5 EGBDRO CSc1ccc([C@@H](CNc2ccc([N+](=O)[O-])cn2)[NH+](C)C)cc1 ZINC000338836717 163360598 /nfs/dbraw/zinc/36/05/98/163360598.db2.gz MAGWFRNPPLQJCZ-OAHLLOKOSA-N 1 0 332.429 3.427 20 5 EGBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000354371097 166010865 /nfs/dbraw/zinc/01/08/65/166010865.db2.gz FOACKZPWJVYJHR-CQSZACIVSA-N 1 0 344.415 3.070 20 5 EGBDRO CC(C)CN(C(=O)CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1)C(C)C ZINC000343947209 164071284 /nfs/dbraw/zinc/07/12/84/164071284.db2.gz HUBZOUMPPADJMB-UHFFFAOYSA-N 1 0 347.459 3.452 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2nc(CN[C@H]3CC[N@@H+](C4CC4)C3)cs2)c1 ZINC000344205463 164126518 /nfs/dbraw/zinc/12/65/18/164126518.db2.gz BZRXOURPCVVFEF-ZDUSSCGKSA-N 1 0 344.440 3.045 20 5 EGBDRO COc1ccc(-c2ccc(C[NH2+]C[C@]3(C)CCOC3)o2)c([N+](=O)[O-])c1 ZINC000344387662 164168423 /nfs/dbraw/zinc/16/84/23/164168423.db2.gz SKLPBQGDZKRBCL-SFHVURJKSA-N 1 0 346.383 3.380 20 5 EGBDRO C[C@H]([NH2+]C1(CNc2c([N+](=O)[O-])ncn2C)CCCC1)c1ccccc1 ZINC000344404451 164170588 /nfs/dbraw/zinc/17/05/88/164170588.db2.gz DNCUGSYJWFGBHN-AWEZNQCLSA-N 1 0 343.431 3.404 20 5 EGBDRO O=C(NCCC[NH2+]C1CCCCC1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000345893119 164289055 /nfs/dbraw/zinc/28/90/55/164289055.db2.gz XPNMWNFLTCMUQR-UHFFFAOYSA-N 1 0 344.415 3.118 20 5 EGBDRO O=C(NCCC[NH+]1CCCCCC1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000346122154 164342141 /nfs/dbraw/zinc/34/21/41/164342141.db2.gz RLNVHUYGQVVYOM-UHFFFAOYSA-N 1 0 339.823 3.244 20 5 EGBDRO COCC(C)(C)CCC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000348314913 164706017 /nfs/dbraw/zinc/70/60/17/164706017.db2.gz HVNDUURTIGYMCW-GJZGRUSLSA-N 1 0 338.452 3.317 20 5 EGBDRO CC(C)(CNC(=O)Nc1ccc([N+](=O)[O-])cc1F)[NH+]1CCCCC1 ZINC000351648682 165114458 /nfs/dbraw/zinc/11/44/58/165114458.db2.gz GQGWXTUKIHPBAY-UHFFFAOYSA-N 1 0 338.383 3.120 20 5 EGBDRO CC[N@@H+]1CC[C@@H](N(C)Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000352012946 165192857 /nfs/dbraw/zinc/19/28/57/165192857.db2.gz HFOWTMXRYNWNLV-NWDGAFQWSA-N 1 0 327.375 3.178 20 5 EGBDRO CCn1nc(C)c([N+](=O)[O-])c1N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000358959287 167018880 /nfs/dbraw/zinc/01/88/80/167018880.db2.gz WTBVBKUAPPMYJZ-HOCLYGCPSA-N 1 0 343.431 3.367 20 5 EGBDRO C[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)C(C)(C)C[NH+](C)C ZINC000359283996 167114848 /nfs/dbraw/zinc/11/48/48/167114848.db2.gz KOVMJAMUYYAGNK-LLVKDONJSA-N 1 0 333.388 3.047 20 5 EGBDRO CCCN(CC[NH+](CC)CC)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000359471263 167165617 /nfs/dbraw/zinc/16/56/17/167165617.db2.gz WGFSMIMEYMYYQZ-UHFFFAOYSA-N 1 0 341.839 3.442 20 5 EGBDRO COc1ccccc1[C@H](CNc1ccc([N+](=O)[O-])c(OC)c1)[NH+](C)C ZINC000360245289 167281115 /nfs/dbraw/zinc/28/11/15/167281115.db2.gz MQJYMVFXPKXLRO-INIZCTEOSA-N 1 0 345.399 3.327 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000194467651 292584389 /nfs/dbraw/zinc/58/43/89/292584389.db2.gz PABGELPCGSLOHD-INIZCTEOSA-N 1 0 345.374 3.075 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCCNc1ccccn1)CCC2 ZINC000192937530 265998014 /nfs/dbraw/zinc/99/80/14/265998014.db2.gz WIZBFBHCOAENET-KRWDZBQOSA-N 1 0 326.400 3.459 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCCOC1CCOCC1)CCC2 ZINC000193007089 266003291 /nfs/dbraw/zinc/00/32/91/266003291.db2.gz WTRROUBITICSRV-SFHVURJKSA-N 1 0 334.416 3.148 20 5 EGBDRO Cc1cc(C(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)cc([N+](=O)[O-])c1 ZINC000195692000 266190083 /nfs/dbraw/zinc/19/00/83/266190083.db2.gz AEDJEJYLGVVKOK-GOSISDBHSA-N 1 0 347.459 3.390 20 5 EGBDRO CC[C@@H](C)[N@H+](C)CCNc1ccc(Br)cc1[N+](=O)[O-] ZINC000227920242 266200668 /nfs/dbraw/zinc/20/06/68/266200668.db2.gz XYKBIDDCFUENEJ-SNVBAGLBSA-N 1 0 330.226 3.500 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C2(c3nccs3)CCCC2)c1 ZINC000269649204 266333918 /nfs/dbraw/zinc/33/39/18/266333918.db2.gz LXNTZRDSLIVVDR-AWEZNQCLSA-N 1 0 333.413 3.144 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@@H](Nc3ccccc3)C2)c1 ZINC000269680366 266340198 /nfs/dbraw/zinc/34/01/98/266340198.db2.gz XXGKDELJRNTFHR-IEBWSBKVSA-N 1 0 341.411 3.205 20 5 EGBDRO C[N@@H+](Cc1ccc(Cl)s1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269710233 266347145 /nfs/dbraw/zinc/34/71/45/266347145.db2.gz PBZBEJRVSDQCRW-ZDUSSCGKSA-N 1 0 326.805 3.475 20 5 EGBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000273273349 267010330 /nfs/dbraw/zinc/01/03/30/267010330.db2.gz MSIPVRCMULWOSS-LLVKDONJSA-N 1 0 339.823 3.051 20 5 EGBDRO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)[C@]12CCCO2 ZINC000274245817 267205693 /nfs/dbraw/zinc/20/56/93/267205693.db2.gz RMLPXHMUMHKNRG-VIBAHUMZSA-N 1 0 334.416 3.280 20 5 EGBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000339062142 274353503 /nfs/dbraw/zinc/35/35/03/274353503.db2.gz YDDMVPKZZBXLRV-GHMZBOCLSA-N 1 0 331.338 3.138 20 5 EGBDRO COC[C@H]([NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000278745996 275271038 /nfs/dbraw/zinc/27/10/38/275271038.db2.gz JXWUQOJRZWQBQQ-NWGLXNPWSA-N 1 0 348.443 3.090 20 5 EGBDRO CCNC(=O)C(C)(C)C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279007617 275295571 /nfs/dbraw/zinc/29/55/71/275295571.db2.gz GPHOIQSTTSLFSQ-HNNXBMFYSA-N 1 0 333.432 3.069 20 5 EGBDRO CC1(C)C[C@H]([NH2+]CCCO[C@@H]2CCOC2)c2cc([N+](=O)[O-])ccc21 ZINC000279084946 275302554 /nfs/dbraw/zinc/30/25/54/275302554.db2.gz MZFHCHQOYUHOAC-PBHICJAKSA-N 1 0 334.416 3.102 20 5 EGBDRO CC[C@@H](C)NC(=O)CC[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279163746 275309006 /nfs/dbraw/zinc/30/90/06/275309006.db2.gz UGWCDUDHJWOWEL-WBMJQRKESA-N 1 0 333.432 3.212 20 5 EGBDRO CNC(=O)C1CCC([NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000279182065 275310481 /nfs/dbraw/zinc/31/04/81/275310481.db2.gz VQOKUQYKPCXSNO-FVKWTLKZSA-N 1 0 345.443 3.212 20 5 EGBDRO C[C@@H](O)C[C@@H]1CCCC[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000279718194 275352753 /nfs/dbraw/zinc/35/27/53/275352753.db2.gz IRMMYQHRHZCRSP-DYVFJYSZSA-N 1 0 345.399 3.375 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@H](C)OC2(CCOCC2)C1 ZINC000279849296 275365646 /nfs/dbraw/zinc/36/56/46/275365646.db2.gz RZLKXXJSZWGYKT-GJZGRUSLSA-N 1 0 334.416 3.234 20 5 EGBDRO Cc1c(C[NH2+][C@@]2(CO)CCCc3ccccc32)cccc1[N+](=O)[O-] ZINC000281788160 275576175 /nfs/dbraw/zinc/57/61/75/275576175.db2.gz UFAIGDLSMDTXAH-LJQANCHMSA-N 1 0 326.396 3.217 20 5 EGBDRO C[C@@H]([NH2+]CC[C@@](C)(O)c1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285325854 275864958 /nfs/dbraw/zinc/86/49/58/275864958.db2.gz UABMCNFQOHHBDT-FZKQIMNGSA-N 1 0 329.400 3.125 20 5 EGBDRO CC[C@@H]1CCC[C@@H]1[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000286148664 275958018 /nfs/dbraw/zinc/95/80/18/275958018.db2.gz NLAZQSYYXLFFHB-OCCSQVGLSA-N 1 0 335.404 3.100 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN(C)CCC[NH+]1CCCC1 ZINC000337217291 275974959 /nfs/dbraw/zinc/97/49/59/275974959.db2.gz BBIYGJISJRJPTL-UHFFFAOYSA-N 1 0 335.448 3.300 20 5 EGBDRO O=[N+]([O-])c1cc(F)c(CN2CCC[C@@H]([NH+]3CCCC3)CC2)c(F)c1 ZINC000286528096 276012296 /nfs/dbraw/zinc/01/22/96/276012296.db2.gz SVIHEOWWHHJHNR-CYBMUJFWSA-N 1 0 339.386 3.323 20 5 EGBDRO CC[NH+](CC)CCOC1CCN(c2cccc(C)c2[N+](=O)[O-])CC1 ZINC000338673970 276099910 /nfs/dbraw/zinc/09/99/10/276099910.db2.gz DTXNDTYODMCBSJ-UHFFFAOYSA-N 1 0 335.448 3.230 20 5 EGBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2CC)C1 ZINC000289643737 276371088 /nfs/dbraw/zinc/37/10/88/276371088.db2.gz CVIPCFRGQWTLJW-AWEZNQCLSA-N 1 0 348.447 3.353 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C[NH+](C)C)c1ccc(F)cc1 ZINC000290675587 276527745 /nfs/dbraw/zinc/52/77/45/276527745.db2.gz VGTNCNDKVVKUBS-QGZVFWFLSA-N 1 0 345.374 3.075 20 5 EGBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000347041686 287915743 /nfs/dbraw/zinc/91/57/43/287915743.db2.gz LJUCLKUGPIMYKZ-IAGOWNOFSA-N 1 0 347.459 3.106 20 5 EGBDRO C[C@@H]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[C@H](C[NH3+])C1 ZINC000261700008 278540213 /nfs/dbraw/zinc/54/02/13/278540213.db2.gz FKWTZDGIHOFLMW-MFKMUULPSA-N 1 0 333.413 3.009 20 5 EGBDRO C[C@H](C1CC1)[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CC1 ZINC000052607052 307332396 /nfs/dbraw/zinc/33/23/96/307332396.db2.gz USIZHZHJKYRHNK-LLVKDONJSA-N 1 0 328.372 3.408 20 5 EGBDRO C[N@H+](CCCc1ccccc1)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000052802803 307333835 /nfs/dbraw/zinc/33/38/35/307333835.db2.gz DRCRYFCJSSBMFD-UHFFFAOYSA-N 1 0 341.411 3.488 20 5 EGBDRO Cc1cc(C(=O)N(CC[NH+](C)C)CC2CCCCC2)ccc1[N+](=O)[O-] ZINC000072034687 307378702 /nfs/dbraw/zinc/37/87/02/307378702.db2.gz XERMGYJQDCQEBN-UHFFFAOYSA-N 1 0 347.459 3.487 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@@H]1CCc2ccccc21 ZINC000072559042 307380087 /nfs/dbraw/zinc/38/00/87/307380087.db2.gz GMTJNLYMYRQJQZ-GOSISDBHSA-N 1 0 339.395 3.461 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](CO)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000414312660 309072293 /nfs/dbraw/zinc/07/22/93/309072293.db2.gz NXVLVOSWWHPYQX-CZUORRHYSA-N 1 0 332.375 3.469 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]Cc1nnc(C2CC2)s1)C1CC1 ZINC000414322233 309072759 /nfs/dbraw/zinc/07/27/59/309072759.db2.gz GLKNQPYAHWOJCL-AWEZNQCLSA-N 1 0 344.440 3.435 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1CCC[C@H](C)[C@@H]1C ZINC000249297433 308022065 /nfs/dbraw/zinc/02/20/65/308022065.db2.gz BZRBOKYDWNRUSJ-KCQAQPDRSA-N 1 0 349.431 3.346 20 5 EGBDRO O=C(/C=C\c1cccc([N+](=O)[O-])c1)NC1CC[NH+](C2CCCC2)CC1 ZINC000254943172 308034741 /nfs/dbraw/zinc/03/47/41/308034741.db2.gz XIUFFOZWNRBSEU-HJWRWDBZSA-N 1 0 343.427 3.131 20 5 EGBDRO CC[C@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C(C)(C)O ZINC000293029806 308091715 /nfs/dbraw/zinc/09/17/15/308091715.db2.gz PQVNZYJSBSLNDH-AWEZNQCLSA-N 1 0 335.429 3.357 20 5 EGBDRO CCC[C@H](C)C(=O)NCC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000293032476 308091988 /nfs/dbraw/zinc/09/19/88/308091988.db2.gz AEFAGXXDQFWZDK-SUMWQHHRSA-N 1 0 333.432 3.114 20 5 EGBDRO O=[N+]([O-])c1cc(C[NH2+]CCc2cc(C(F)(F)F)ccn2)cs1 ZINC000293095351 308099018 /nfs/dbraw/zinc/09/90/18/308099018.db2.gz XHFVCCYKMSYGRY-UHFFFAOYSA-N 1 0 331.319 3.402 20 5 EGBDRO COC[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000293110786 308100481 /nfs/dbraw/zinc/10/04/81/308100481.db2.gz OOBHTSPBGRIYKU-LLVKDONJSA-N 1 0 332.322 3.472 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](O)Cc2cccc(F)c2)c(Cl)c1 ZINC000295101992 308291361 /nfs/dbraw/zinc/29/13/61/308291361.db2.gz KPDFKCFPZTZKFB-OAHLLOKOSA-N 1 0 338.766 3.081 20 5 EGBDRO C[C@@H]1[C@H](CO)CCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000414579769 309090488 /nfs/dbraw/zinc/09/04/88/309090488.db2.gz QAKQAHJRNWSLOO-HIFRSBDPSA-N 1 0 330.384 3.448 20 5 EGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCc1nccnc1C ZINC000295119315 308293742 /nfs/dbraw/zinc/29/37/42/308293742.db2.gz YLAWLGYEUPZGMV-AWEZNQCLSA-N 1 0 346.456 3.396 20 5 EGBDRO Cc1ccccc1[C@@H]([NH3+])C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000295189088 308300730 /nfs/dbraw/zinc/30/07/30/308300730.db2.gz NUHITMLRZOMFKX-SUMWQHHRSA-N 1 0 327.384 3.089 20 5 EGBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CCC([NH2+]C(C)C)CC1 ZINC000295445145 308327371 /nfs/dbraw/zinc/32/73/71/308327371.db2.gz GTXJMEKNOMPKBW-UHFFFAOYSA-N 1 0 344.415 3.118 20 5 EGBDRO COc1ccc(-c2ccc(CN3CCCC[C@H]3C[NH3+])o2)c([N+](=O)[O-])c1 ZINC000414653275 309093721 /nfs/dbraw/zinc/09/37/21/309093721.db2.gz HVAPIVOIGQSUSY-ZDUSSCGKSA-N 1 0 345.399 3.177 20 5 EGBDRO Cc1c(NC(=O)N(CCC[NH3+])Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000414715211 309096898 /nfs/dbraw/zinc/09/68/98/309096898.db2.gz WDFZBLYQRWNBMX-UHFFFAOYSA-N 1 0 342.399 3.286 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000414665921 309094597 /nfs/dbraw/zinc/09/45/97/309094597.db2.gz VUEXXNVXQSDAKE-UHFFFAOYSA-N 1 0 342.399 3.286 20 5 EGBDRO C[C@H]([NH2+]CCOCC(F)(F)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000296680259 308455356 /nfs/dbraw/zinc/45/53/56/308455356.db2.gz IERQEUXRLPQBFH-VIFPVBQESA-N 1 0 342.264 3.460 20 5 EGBDRO Cc1cc(NCC(C)(C)[NH+](C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301107906 308688540 /nfs/dbraw/zinc/68/85/40/308688540.db2.gz MGIRRWRRHJHIMA-UHFFFAOYSA-N 1 0 329.404 3.112 20 5 EGBDRO C[NH+](C)Cc1ccc(CNc2ncc(Cl)cc2[N+](=O)[O-])cc1F ZINC000301885515 308719948 /nfs/dbraw/zinc/71/99/48/308719948.db2.gz OTYBSGBPDBNOHV-UHFFFAOYSA-N 1 0 338.770 3.456 20 5 EGBDRO Cc1cc(NC[C@@H](C2CC2)[NH+](C)C)c(Br)cc1[N+](=O)[O-] ZINC000302716500 308742868 /nfs/dbraw/zinc/74/28/68/308742868.db2.gz YIKKGESEYPDIPF-AWEZNQCLSA-N 1 0 342.237 3.418 20 5 EGBDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCN1C(=O)OC(C)(C)C ZINC000305877516 308762448 /nfs/dbraw/zinc/76/24/48/308762448.db2.gz OPEZLIBABBMHQE-UKRRQHHQSA-N 1 0 349.431 3.472 20 5 EGBDRO Cc1c(NC(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000331419290 308806320 /nfs/dbraw/zinc/80/63/20/308806320.db2.gz QDECWVYBXLARAU-WMLDXEAASA-N 1 0 346.431 3.289 20 5 EGBDRO CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCO1 ZINC000331942396 308821779 /nfs/dbraw/zinc/82/17/79/308821779.db2.gz RPJRBIXELJYZFJ-QXSJWSMHSA-N 1 0 336.436 3.068 20 5 EGBDRO C[C@@H]([NH2+][C@@H]1CCN(c2ccc(F)cc2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000411457194 308939952 /nfs/dbraw/zinc/93/99/52/308939952.db2.gz NEUMNVNPMWWWGP-SJKOYZFVSA-N 1 0 343.358 3.190 20 5 EGBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1)[NH+](C)C ZINC000412389334 308984257 /nfs/dbraw/zinc/98/42/57/308984257.db2.gz YHZJDZMHBSWHKS-ZDUSSCGKSA-N 1 0 343.383 3.067 20 5 EGBDRO Cc1ccn(Cc2cccc(C[NH+]3CCCCC3)c2)c(=O)c1[N+](=O)[O-] ZINC000413001499 309011535 /nfs/dbraw/zinc/01/15/35/309011535.db2.gz RTADAXCTMSBFDP-UHFFFAOYSA-N 1 0 341.411 3.099 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CC[C@H](C[NH+]3CCCC3)C2)c2cccnc21 ZINC000413148583 309018368 /nfs/dbraw/zinc/01/83/68/309018368.db2.gz AIJCSTQHLDBZJU-CQSZACIVSA-N 1 0 326.400 3.065 20 5 EGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1NCCc2ccccc21 ZINC000414959544 309111602 /nfs/dbraw/zinc/11/16/02/309111602.db2.gz SKILWAXNFPKGIG-DNVCBOLYSA-N 1 0 339.439 3.393 20 5 EGBDRO [NH3+]C[C@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CCCC1 ZINC000415072021 309118248 /nfs/dbraw/zinc/11/82/48/309118248.db2.gz XJYNEBOYQOUGJV-INIZCTEOSA-N 1 0 346.456 3.325 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000415764488 309143462 /nfs/dbraw/zinc/14/34/62/309143462.db2.gz PKONLJRLXUBENQ-HNNXBMFYSA-N 1 0 346.431 3.011 20 5 EGBDRO C[C@H](CCN1CCOCC1)[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417310291 309201243 /nfs/dbraw/zinc/20/12/43/309201243.db2.gz LATYINBAHCGQAF-BEFAXECRSA-N 1 0 347.459 3.063 20 5 EGBDRO CO[C@@H]1COCC[C@@H]1C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417349806 309202544 /nfs/dbraw/zinc/20/25/44/309202544.db2.gz MQMYWAVLJIDIDI-FHLIZLRMSA-N 1 0 334.416 3.003 20 5 EGBDRO C[C@H](NC(=O)NCC[NH2+]C1CCCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000418238518 309240559 /nfs/dbraw/zinc/24/05/59/309240559.db2.gz XHBRQYBRFPDYFM-AWEZNQCLSA-N 1 0 348.447 3.267 20 5 EGBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000418395230 309244970 /nfs/dbraw/zinc/24/49/70/309244970.db2.gz AFOJSAOFOHWARR-DOTOQJQBSA-N 1 0 348.447 3.032 20 5 EGBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1Nc1ccc2c(c1)C[NH2+]CC2 ZINC000420189902 309276815 /nfs/dbraw/zinc/27/68/15/309276815.db2.gz PXIOKHWTQCORGA-UHFFFAOYSA-N 1 0 338.289 3.398 20 5 EGBDRO [NH3+][C@@H]1CCC[C@H]2CN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)C[C@H]21 ZINC000420224929 309277478 /nfs/dbraw/zinc/27/74/78/309277478.db2.gz CAYXZILVOIECOZ-ARFHVFGLSA-N 1 0 338.411 3.220 20 5 EGBDRO Cc1cc(N2CC[C@@]3(CC[NH2+]C3)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420228553 309277631 /nfs/dbraw/zinc/27/76/31/309277631.db2.gz LPVFEVCAGYJDLN-CQSZACIVSA-N 1 0 329.322 3.112 20 5 EGBDRO [NH3+][C@@H]1CCC[C@H](CNc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C1 ZINC000420291721 309279660 /nfs/dbraw/zinc/27/96/60/309279660.db2.gz VZVLFHYDIDMYKU-DZGCQCFKSA-N 1 0 326.400 3.008 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000420311734 309281244 /nfs/dbraw/zinc/28/12/44/309281244.db2.gz HPGLXKRXMGFPBJ-ZOCIIQOWSA-N 1 0 325.412 3.391 20 5 EGBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CC(OC(C)(C)C)C1 ZINC000421012799 309307277 /nfs/dbraw/zinc/30/72/77/309307277.db2.gz QMNBMRDOGXLGMM-UHFFFAOYSA-N 1 0 349.431 3.201 20 5 EGBDRO CON1CCC([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000421400105 309323079 /nfs/dbraw/zinc/32/30/79/309323079.db2.gz RHYZIXXHEXQESH-UHFFFAOYSA-N 1 0 347.440 3.439 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000421457111 309325316 /nfs/dbraw/zinc/32/53/16/309325316.db2.gz RYYHEEWVMSLNDF-SFHVURJKSA-N 1 0 341.411 3.244 20 5 EGBDRO CCc1ccc([C@H](NC[C@@H]2CCC[NH2+]2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000423230010 309391380 /nfs/dbraw/zinc/39/13/80/309391380.db2.gz CNDMDHJNJROWRS-KBXCAEBGSA-N 1 0 329.400 3.181 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000423599346 309407086 /nfs/dbraw/zinc/40/70/86/309407086.db2.gz BKPQNOKALMJWOG-CQSZACIVSA-N 1 0 333.432 3.028 20 5 EGBDRO Nc1c(F)c(NC2CC[NH+](CC3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000428147928 309543168 /nfs/dbraw/zinc/54/31/68/309543168.db2.gz VFAYIZRIGXKOSU-UHFFFAOYSA-N 1 0 336.411 3.383 20 5 EGBDRO Cc1ccc(C[NH2+]C[C@]2(CO)C[C@@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000428555938 309555254 /nfs/dbraw/zinc/55/52/54/309555254.db2.gz ALSCTYZZIOVBJS-MJGOQNOKSA-N 1 0 344.386 3.298 20 5 EGBDRO [NH3+][C@H]1CCN(Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000435367962 309729481 /nfs/dbraw/zinc/72/94/81/309729481.db2.gz CKSXLEUZTICVAY-AWEZNQCLSA-N 1 0 331.347 3.059 20 5 EGBDRO Cc1c(CC(=O)NCC2([NH+](C)C)CCCCCC2)cccc1[N+](=O)[O-] ZINC000439033472 309825038 /nfs/dbraw/zinc/82/50/38/309825038.db2.gz MESOKNHBFBHACS-UHFFFAOYSA-N 1 0 347.459 3.217 20 5 EGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCCNc2ccccc2)n1 ZINC000447537215 309981393 /nfs/dbraw/zinc/98/13/93/309981393.db2.gz UBVVXUQOLSLLNC-DLBZAZTESA-N 1 0 343.431 3.367 20 5 EGBDRO COc1cc(F)cc(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000447585023 309983153 /nfs/dbraw/zinc/98/31/53/309983153.db2.gz IQESCYTUPQFIKD-HOTGVXAUSA-N 1 0 348.378 3.213 20 5 EGBDRO CCCOc1ccc(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])cn1 ZINC000449086516 310036017 /nfs/dbraw/zinc/03/60/17/310036017.db2.gz BWZXBAMSIXGPKW-AWEZNQCLSA-N 1 0 329.400 3.499 20 5 EGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCN(C)Cc1ccccc1 ZINC000449088666 310036196 /nfs/dbraw/zinc/03/61/96/310036196.db2.gz BPIUGDQCEQSLNL-INIZCTEOSA-N 1 0 327.428 3.247 20 5 EGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCC(=O)Nc1ccccc1 ZINC000449136746 310039582 /nfs/dbraw/zinc/03/95/82/310039582.db2.gz CDLHLADRXYORAZ-AWEZNQCLSA-N 1 0 327.384 3.144 20 5 EGBDRO COC(=O)C1(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])CCCCC1 ZINC000449238363 310046666 /nfs/dbraw/zinc/04/66/66/310046666.db2.gz GBPSHONZEPZKHB-CQSZACIVSA-N 1 0 334.416 3.239 20 5 EGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCc1nn(C)c2ccccc12 ZINC000449248217 310047369 /nfs/dbraw/zinc/04/73/69/310047369.db2.gz IIBSWSCPJQDCFN-CQSZACIVSA-N 1 0 338.411 3.245 20 5 EGBDRO Cc1cccc(C[C@H](CO)[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000449267948 310048702 /nfs/dbraw/zinc/04/87/02/310048702.db2.gz CMIOVINMGQEVJG-CRAIPNDOSA-N 1 0 328.412 3.027 20 5 EGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCOCC(F)(F)C(F)F ZINC000449286145 310050304 /nfs/dbraw/zinc/05/03/04/310050304.db2.gz UKCMVPORGTXZJT-SNVBAGLBSA-N 1 0 338.301 3.032 20 5 EGBDRO CC[C@@H](C)[C@@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)OC ZINC000449403774 310059310 /nfs/dbraw/zinc/05/93/10/310059310.db2.gz XOOMWTGHGZKVQP-QMTHXVAHSA-N 1 0 332.347 3.347 20 5 EGBDRO CC/C=C/C[NH2+]Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000449460316 310063708 /nfs/dbraw/zinc/06/37/08/310063708.db2.gz RHVVMHAUFVJYAT-SNAWJCMRSA-N 1 0 330.331 3.303 20 5 EGBDRO CN(C)c1ncc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)s1 ZINC000449496878 310066773 /nfs/dbraw/zinc/06/67/73/310066773.db2.gz HXEUQOTWLAOVNX-CQSZACIVSA-N 1 0 346.456 3.497 20 5 EGBDRO [NH3+][C@H]1CCC[C@H](CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000449643141 310076945 /nfs/dbraw/zinc/07/69/45/310076945.db2.gz YPLVDPJFFIYXBQ-JQWIXIFHSA-N 1 0 333.413 3.057 20 5 EGBDRO CC(C)(C)O[C@@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])[C@H]1n1cccn1 ZINC000449652135 310077615 /nfs/dbraw/zinc/07/76/15/310077615.db2.gz ARMPHUMTQSPZLD-DJIMGWMZSA-N 1 0 344.415 3.078 20 5 EGBDRO COCC1(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CCCC1 ZINC000449738225 310083345 /nfs/dbraw/zinc/08/33/45/310083345.db2.gz ADCHWQDGUDQJDN-UHFFFAOYSA-N 1 0 344.358 3.493 20 5 EGBDRO O=[N+]([O-])c1cccc2c1ccnc2N1CCC([NH+]2CCCC2)CC1 ZINC000450261830 310111617 /nfs/dbraw/zinc/11/16/17/310111617.db2.gz PTZBFTHQEYUEAL-UHFFFAOYSA-N 1 0 326.400 3.208 20 5 EGBDRO CCCC[NH+]1CCC(Nc2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000450293613 310113811 /nfs/dbraw/zinc/11/38/11/310113811.db2.gz YQJGBQGITKDHIL-UHFFFAOYSA-N 1 0 328.416 3.241 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000450860917 310146430 /nfs/dbraw/zinc/14/64/30/310146430.db2.gz NFGOEOQAFFXKLL-DJIMGWMZSA-N 1 0 332.400 3.041 20 5 EGBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@H](CO)c1ccc(Cl)cc1 ZINC000451329740 310172283 /nfs/dbraw/zinc/17/22/83/310172283.db2.gz KORNGPZIYUKJBH-QGZVFWFLSA-N 1 0 334.803 3.456 20 5 EGBDRO CCC[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C(C)(C)C ZINC000451435786 310178375 /nfs/dbraw/zinc/17/83/75/310178375.db2.gz JQHVMFGTGBTSNJ-OAHLLOKOSA-N 1 0 337.420 3.346 20 5 EGBDRO O=C(C[NH2+][C@H]1CCC12CCCC2)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000451464230 310179607 /nfs/dbraw/zinc/17/96/07/310179607.db2.gz YLKXAIMBOSMDOG-AWEZNQCLSA-N 1 0 337.807 3.499 20 5 EGBDRO NC(=O)[C@H](c1ccccc1)[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451543752 310184484 /nfs/dbraw/zinc/18/44/84/310184484.db2.gz CMUDPALWEMIAKA-AEFFLSMTSA-N 1 0 339.395 3.001 20 5 EGBDRO COc1ccc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)nc1 ZINC000451552110 310185898 /nfs/dbraw/zinc/18/58/98/310185898.db2.gz VQRQOUPIJLWZPI-HNNXBMFYSA-N 1 0 327.384 3.378 20 5 EGBDRO CCOc1cccc(C[N@H+](CCO)Cc2cccc([N+](=O)[O-])c2C)c1 ZINC000452044783 310209049 /nfs/dbraw/zinc/20/90/49/310209049.db2.gz HDQKQHRPFQJOIN-UHFFFAOYSA-N 1 0 344.411 3.296 20 5 EGBDRO CCC(C)(C)OCC[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000453409873 310275549 /nfs/dbraw/zinc/27/55/49/310275549.db2.gz PDPZFQWWPATRRK-CYBMUJFWSA-N 1 0 337.420 3.107 20 5 EGBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000454499295 310313099 /nfs/dbraw/zinc/31/30/99/310313099.db2.gz POLPUONARHEYJZ-GOEBONIOSA-N 1 0 348.447 3.220 20 5 EGBDRO C[C@H](CNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)C[NH+]1CCCCC1 ZINC000454619019 310320326 /nfs/dbraw/zinc/32/03/26/310320326.db2.gz MBSWYMVMPCYKRB-CABCVRRESA-N 1 0 348.447 3.077 20 5 EGBDRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000455246749 310352102 /nfs/dbraw/zinc/35/21/02/310352102.db2.gz NDGQGIADDXCDJS-CQSZACIVSA-N 1 0 334.420 3.160 20 5 EGBDRO C[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1nc2c(s1)CCC2 ZINC000459634923 310565349 /nfs/dbraw/zinc/56/53/49/310565349.db2.gz NWTMJOOYUJNMOK-LLVKDONJSA-N 1 0 333.413 3.270 20 5 EGBDRO C[C@@H](CCCc1cccnc1)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000459642559 310565889 /nfs/dbraw/zinc/56/58/89/310565889.db2.gz SLLIJMYCAULVNU-ZDUSSCGKSA-N 1 0 339.399 3.367 20 5 EGBDRO O=[N+]([O-])c1cccc(N2CC[NH+](CCc3ccccc3F)CC2)c1 ZINC000469304666 310702918 /nfs/dbraw/zinc/70/29/18/310702918.db2.gz LJFDGLCWOYOZBD-UHFFFAOYSA-N 1 0 329.375 3.099 20 5 EGBDRO COCC[N@H+](Cc1cc(OC)c(F)cc1[N+](=O)[O-])[C@@H]1CCC[C@H]1C ZINC000487950999 311044493 /nfs/dbraw/zinc/04/44/93/311044493.db2.gz BSHWAELUVTYRJB-IUODEOHRSA-N 1 0 340.395 3.380 20 5 EGBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000491190028 311167139 /nfs/dbraw/zinc/16/71/39/311167139.db2.gz XXFGZTLTUXSOKO-AWEZNQCLSA-N 1 0 348.447 3.004 20 5 EGBDRO CCOc1cc(C[NH2+][C@@H](CO)c2ccc(CC)cc2)ccc1[N+](=O)[O-] ZINC000491612314 311186531 /nfs/dbraw/zinc/18/65/31/311186531.db2.gz IALKVRWMBBMGML-KRWDZBQOSA-N 1 0 344.411 3.379 20 5 EGBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000491944514 311201329 /nfs/dbraw/zinc/20/13/29/311201329.db2.gz CLFJZPAIBGBVCJ-GQSKFBFOSA-N 1 0 349.406 3.080 20 5 EGBDRO CCOc1cc(CN2CC[NH+](C3CCCCC3)CC2)ccc1[N+](=O)[O-] ZINC000492482116 311256044 /nfs/dbraw/zinc/25/60/44/311256044.db2.gz GFMQPGYTHXAIAB-UHFFFAOYSA-N 1 0 347.459 3.444 20 5 EGBDRO CC(C)(C)c1ccc(C(=O)NCCC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000494145732 311459081 /nfs/dbraw/zinc/45/90/81/311459081.db2.gz KJURCTLXROCGMZ-UHFFFAOYSA-N 1 0 347.459 3.498 20 5 EGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](CCO)C(C)C ZINC000504895202 312012129 /nfs/dbraw/zinc/01/21/29/312012129.db2.gz RMOAMKKXYHUHQH-UONOGXRCSA-N 1 0 326.462 3.462 20 5 EGBDRO Cc1cc(C(=O)NCC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000507451111 312072437 /nfs/dbraw/zinc/07/24/37/312072437.db2.gz ORJVDTKWENFFFV-KBPBESRZSA-N 1 0 347.459 3.390 20 5 EGBDRO COc1cccc(OCC[N@H+](C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000511127904 312155775 /nfs/dbraw/zinc/15/57/75/312155775.db2.gz XTDVOBOQYFIUSS-UHFFFAOYSA-N 1 0 330.384 3.157 20 5 EGBDRO CCC1(C[NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000517995787 312400768 /nfs/dbraw/zinc/40/07/68/312400768.db2.gz CZGNFUBPUKNHLZ-CQSZACIVSA-N 1 0 349.431 3.108 20 5 EGBDRO CC[C@H]([NH2+][C@@H]1CCCC[C@@H]1N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000532549702 313813939 /nfs/dbraw/zinc/81/39/39/313813939.db2.gz MXLDYUOKBZHWHH-OTWHNJEPSA-N 1 0 347.459 3.279 20 5 EGBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccc(C(C)(C)C)cc1 ZINC000535581934 314054101 /nfs/dbraw/zinc/05/41/01/314054101.db2.gz FFEBRRVRLPCIFZ-UHFFFAOYSA-N 1 0 343.427 3.186 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCN(c2ccccn2)C1 ZINC000536831416 314148418 /nfs/dbraw/zinc/14/84/18/314148418.db2.gz HPQZJKKTFXTWKF-HUUCEWRRSA-N 1 0 326.400 3.228 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CCN(c2ccccn2)C1 ZINC000536831400 314148447 /nfs/dbraw/zinc/14/84/47/314148447.db2.gz HPQZJKKTFXTWKF-CABCVRRESA-N 1 0 326.400 3.228 20 5 EGBDRO C[C@@H]([NH2+]CC(=O)Nc1ccc2c(c1)CCC2)c1cccc([N+](=O)[O-])c1 ZINC000538179023 314230959 /nfs/dbraw/zinc/23/09/59/314230959.db2.gz IRXZUQUUTXSXDS-CYBMUJFWSA-N 1 0 339.395 3.373 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCOCC(F)(F)F)C1CC1 ZINC000539077204 314294376 /nfs/dbraw/zinc/29/43/76/314294376.db2.gz ZPOFMRGUSWKGEQ-CYBMUJFWSA-N 1 0 332.322 3.084 20 5 EGBDRO C[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@@H](CO)C(C)(C)C ZINC000549527129 315095595 /nfs/dbraw/zinc/09/55/95/315095595.db2.gz FQUCLDCCNSCICE-ZDUSSCGKSA-N 1 0 334.338 3.452 20 5 EGBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)C[C@H](C)[N@H+]1C ZINC000549600721 315098636 /nfs/dbraw/zinc/09/86/36/315098636.db2.gz WCWSWOZZRJEKJB-BETUJISGSA-N 1 0 344.390 3.325 20 5 EGBDRO C[C@@H]1CCC[C@]1(O)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000559353814 315630448 /nfs/dbraw/zinc/63/04/48/315630448.db2.gz YAKGBWDXNIAAFS-ACJLOTCBSA-N 1 0 330.384 3.496 20 5 EGBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CCCSC1 ZINC000562046905 315796881 /nfs/dbraw/zinc/79/68/81/315796881.db2.gz ZYFDJEXGJMQDGD-STQMWFEESA-N 1 0 337.445 3.045 20 5 EGBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC1CC[NH+](CC)CC1 ZINC000562281545 315811748 /nfs/dbraw/zinc/81/17/48/315811748.db2.gz AAQWJUNBCHUGQT-KRWDZBQOSA-N 1 0 347.459 3.012 20 5 EGBDRO CCN(CCC[NH+]1CCCC1)C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000563743718 316063845 /nfs/dbraw/zinc/06/38/45/316063845.db2.gz HQKLYHAPQCLROH-HNNXBMFYSA-N 1 0 333.432 3.033 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC(C)(C)C1(O)CCOCC1 ZINC000564188617 316121623 /nfs/dbraw/zinc/12/16/23/316121623.db2.gz PRFHYRGDMYWBAV-CQSZACIVSA-N 1 0 336.432 3.122 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC(C)(C)C1(O)CCOCC1 ZINC000564188566 316122137 /nfs/dbraw/zinc/12/21/37/316122137.db2.gz PRFHYRGDMYWBAV-AWEZNQCLSA-N 1 0 336.432 3.122 20 5 EGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@H](CO)c1ccc(F)cc1 ZINC000566475030 316483770 /nfs/dbraw/zinc/48/37/70/316483770.db2.gz ITVQNCTUVRBFAV-GUYCJALGSA-N 1 0 330.359 3.087 20 5 EGBDRO COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000570831506 317114703 /nfs/dbraw/zinc/11/47/03/317114703.db2.gz MHFFEKUOONGISL-KDOFPFPSSA-N 1 0 342.395 3.105 20 5 EGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1CCO[C@]2(CCSC2)C1 ZINC000571819771 317252174 /nfs/dbraw/zinc/25/21/74/317252174.db2.gz JUYBJMNEKTYZSC-YLQAJVPDSA-N 1 0 334.441 3.226 20 5 EGBDRO [NH3+][C@@H](CC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccccc1 ZINC000572606319 317364234 /nfs/dbraw/zinc/36/42/34/317364234.db2.gz NCIFAXRQSROKJH-SFHVURJKSA-N 1 0 339.395 3.176 20 5 EGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]Cc1ccccc1Cn1cncn1 ZINC000573695460 317519105 /nfs/dbraw/zinc/51/91/05/317519105.db2.gz ASMAJTWZNCYPQK-SFHVURJKSA-N 1 0 349.394 3.012 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H]1CCCC[C@H]1C ZINC000192800802 323826721 /nfs/dbraw/zinc/82/67/21/323826721.db2.gz YCJMQZLGQLJJCR-OCCSQVGLSA-N 1 0 335.404 3.100 20 5 EGBDRO CC(C)(C)OC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000382458290 324250581 /nfs/dbraw/zinc/25/05/81/324250581.db2.gz SFWKXOFLGHQIAF-LSDHHAIUSA-N 1 0 349.431 3.378 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]C[C@@H](O)CCc1ccccc1 ZINC000579944989 325180684 /nfs/dbraw/zinc/18/06/84/325180684.db2.gz YJUNZYSHOGCZSJ-KRWDZBQOSA-N 1 0 348.830 3.374 20 5 EGBDRO CC(=O)Nc1ccc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000581201889 325341019 /nfs/dbraw/zinc/34/10/19/325341019.db2.gz YUVMBANIBLXJCE-KRWDZBQOSA-N 1 0 325.368 3.330 20 5 EGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCc1ccc2c(c1)OCO2 ZINC000583763091 325549793 /nfs/dbraw/zinc/54/97/93/325549793.db2.gz PQLMAOPCDFQYDK-OAHLLOKOSA-N 1 0 326.352 3.143 20 5 EGBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@]2(O)CCC[C@@H](C(F)(F)F)C2)cs1 ZINC000189602303 455222164 /nfs/dbraw/zinc/22/21/64/455222164.db2.gz KPPPIXXKGFUOEU-ZYHUDNBSSA-N 1 0 338.351 3.230 20 5 EGBDRO C[C@@H]([NH2+]CC(C)(C)C(N)=O)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000183200672 455249539 /nfs/dbraw/zinc/24/95/39/455249539.db2.gz OBLQBRWYNBTUCU-LLVKDONJSA-N 1 0 347.440 3.485 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@@H]3CCC[C@@H]3CCO)cs2)c1 ZINC000189925506 455254133 /nfs/dbraw/zinc/25/41/33/455254133.db2.gz WAAITMKUZPSYRB-MLGOLLRUSA-N 1 0 347.440 3.359 20 5 EGBDRO C[C@@H](C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000173463649 455286969 /nfs/dbraw/zinc/28/69/69/455286969.db2.gz GUQCYPBYAWZVFV-HOCLYGCPSA-N 1 0 326.400 3.280 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H]2CCC[C@H]21 ZINC000245450979 455304590 /nfs/dbraw/zinc/30/45/90/455304590.db2.gz PCFQWQQCKQXKJN-RHSMWYFYSA-N 1 0 331.416 3.496 20 5 EGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000245593219 455337547 /nfs/dbraw/zinc/33/75/47/455337547.db2.gz GTZVNCFJIDRWBD-XUWXXGDYSA-N 1 0 343.427 3.131 20 5 EGBDRO CCOc1cccc(N2CCC[N@@H+](C3CCCC3)CC2)c1[N+](=O)[O-] ZINC000184120693 455354016 /nfs/dbraw/zinc/35/40/16/455354016.db2.gz MEBOHJUWKXYLTF-UHFFFAOYSA-N 1 0 333.432 3.448 20 5 EGBDRO Cc1c(C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000012772062 453403296 /nfs/dbraw/zinc/40/32/96/453403296.db2.gz VNVPGVVHVHMSHN-QGZVFWFLSA-N 1 0 345.374 3.075 20 5 EGBDRO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H]1COc2ccccc2O1 ZINC000025944769 453790597 /nfs/dbraw/zinc/79/05/97/453790597.db2.gz CZGGWZOVWMQLMB-INIZCTEOSA-N 1 0 328.368 3.257 20 5 EGBDRO CCOc1ccc(NC(=O)C[N@H+]([C@@H](C)C2CC2)C2CC2)c([N+](=O)[O-])c1 ZINC000029724959 453831038 /nfs/dbraw/zinc/83/10/38/453831038.db2.gz BGORQDBIBHSDRR-LBPRGKRZSA-N 1 0 347.415 3.195 20 5 EGBDRO CC[NH+](CC)[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1)c1ccsc1 ZINC000031987972 453860618 /nfs/dbraw/zinc/86/06/18/453860618.db2.gz HSEUPFRKLALPGL-INIZCTEOSA-N 1 0 347.440 3.469 20 5 EGBDRO CCc1cc(NC2CC[NH+](C)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000053552212 453886883 /nfs/dbraw/zinc/88/68/83/453886883.db2.gz TZUPCHCFVUJETH-UHFFFAOYSA-N 1 0 341.415 3.120 20 5 EGBDRO Cc1ccsc1C[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000041894009 453983667 /nfs/dbraw/zinc/98/36/67/453983667.db2.gz UBQNTXDMZPDVOF-UHFFFAOYSA-N 1 0 333.413 3.425 20 5 EGBDRO Cc1cccc(C(=O)N2CC[NH+](CCC(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000056042727 454034144 /nfs/dbraw/zinc/03/41/44/454034144.db2.gz VOLIEZRXLYBYCD-UHFFFAOYSA-N 1 0 333.432 3.097 20 5 EGBDRO COc1cc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc(OC)c1OC ZINC000077220986 454077482 /nfs/dbraw/zinc/07/74/82/454077482.db2.gz DZDDQFRGVBYSMB-LBPRGKRZSA-N 1 0 346.383 3.471 20 5 EGBDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1c1ccc([N+](=O)[O-])cn1 ZINC000077236667 454080507 /nfs/dbraw/zinc/08/05/07/454080507.db2.gz PKRQFSKRTGXOMO-HNNXBMFYSA-N 1 0 326.400 3.091 20 5 EGBDRO CC(C)[C@@H](CNC(=O)c1csc([N+](=O)[O-])c1)[NH+]1CCC(C)CC1 ZINC000044520908 454104700 /nfs/dbraw/zinc/10/47/00/454104700.db2.gz YOZVJVVUNSBIGN-CQSZACIVSA-N 1 0 339.461 3.143 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cccc3c2OCCCO3)cc1 ZINC000058092845 454163556 /nfs/dbraw/zinc/16/35/56/454163556.db2.gz RERQPCZCYNPNPJ-UHFFFAOYSA-N 1 0 328.368 3.088 20 5 EGBDRO CCc1nn(C)c(NC[C@@H](c2cccs2)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000094131902 454188421 /nfs/dbraw/zinc/18/84/21/454188421.db2.gz VCHZDHKGFQBXKD-ZDUSSCGKSA-N 1 0 349.460 3.201 20 5 EGBDRO CC(C)(C)C[N@H+](CCCO)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089896485 454228283 /nfs/dbraw/zinc/22/82/83/454228283.db2.gz XFDJFAMHUQFBQG-UHFFFAOYSA-N 1 0 347.415 3.480 20 5 EGBDRO CC[N@H+](C)C[C@@H]1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000089908298 454232425 /nfs/dbraw/zinc/23/24/25/454232425.db2.gz MXESYTRGEMHYGI-AWEZNQCLSA-N 1 0 344.415 3.023 20 5 EGBDRO CC(C)(C)[NH+]1CCC(Nc2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000612438583 460629099 /nfs/dbraw/zinc/62/90/99/460629099.db2.gz CRRLWUVFMBJPSC-UHFFFAOYSA-N 1 0 329.404 3.213 20 5 EGBDRO O=C(NCCC[NH+]1CCCCCC1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000058841342 454237006 /nfs/dbraw/zinc/23/70/06/454237006.db2.gz XNTWWURSCPHTPI-UHFFFAOYSA-N 1 0 344.415 3.072 20 5 EGBDRO C[C@H]1CCC[N@H+](CCNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000046381680 454248311 /nfs/dbraw/zinc/24/83/11/454248311.db2.gz DNMYVJPITHOPGC-NSHDSACASA-N 1 0 340.811 3.102 20 5 EGBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCCC2(C1)CCCCCC2 ZINC000090550992 454320087 /nfs/dbraw/zinc/32/00/87/454320087.db2.gz CHJSMDDMKXNJCR-UHFFFAOYSA-N 1 0 333.432 3.193 20 5 EGBDRO COC1(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CCOCC1 ZINC000090651408 454332275 /nfs/dbraw/zinc/33/22/75/454332275.db2.gz MVGITIRMSWDHEY-DOTOQJQBSA-N 1 0 348.443 3.091 20 5 EGBDRO Cc1cc(C(=O)NCCCC[NH+]2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000047198876 454339576 /nfs/dbraw/zinc/33/95/76/454339576.db2.gz HWAAIFFEKVHNTR-UHFFFAOYSA-N 1 0 333.432 3.145 20 5 EGBDRO COc1cccc(COCC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000090806591 454341475 /nfs/dbraw/zinc/34/14/75/454341475.db2.gz LHIDCDOARFLNSY-CQSZACIVSA-N 1 0 330.384 3.471 20 5 EGBDRO Cc1cc(C(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000047216262 454342558 /nfs/dbraw/zinc/34/25/58/454342558.db2.gz FZLRSEMTPOONBB-GASCZTMLSA-N 1 0 347.459 3.391 20 5 EGBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)CCc1cccs1 ZINC000072800778 454342788 /nfs/dbraw/zinc/34/27/88/454342788.db2.gz USFVOHXSILSJLK-GFCCVEGCSA-N 1 0 333.413 3.158 20 5 EGBDRO CCCN(CC[NH+](CC)CC)C(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000120809843 454350289 /nfs/dbraw/zinc/35/02/89/454350289.db2.gz YGKXYBGLQIICCJ-UHFFFAOYSA-N 1 0 343.374 3.067 20 5 EGBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC([NH+]2CCCCC2)CC1 ZINC000047322858 454357477 /nfs/dbraw/zinc/35/74/77/454357477.db2.gz HVVSWQZDPUTKHP-UHFFFAOYSA-N 1 0 332.404 3.077 20 5 EGBDRO CCOc1ccc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000122283069 454518538 /nfs/dbraw/zinc/51/85/38/454518538.db2.gz QOQRBAMSGQXZGC-HNNXBMFYSA-N 1 0 342.399 3.075 20 5 EGBDRO Cc1cc(C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000122410318 454531057 /nfs/dbraw/zinc/53/10/57/454531057.db2.gz GCMBOVZIXPYTMI-QGZVFWFLSA-N 1 0 345.374 3.075 20 5 EGBDRO CS[C@H]1CCCC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000134541679 454558720 /nfs/dbraw/zinc/55/87/20/454558720.db2.gz WRJDFWCAWBFFHI-AWEZNQCLSA-N 1 0 348.428 3.362 20 5 EGBDRO Cc1cc(C)cc(C2=CC[N@H+](CCn3cc([N+](=O)[O-])cn3)CC2)c1 ZINC000092426754 454564748 /nfs/dbraw/zinc/56/47/48/454564748.db2.gz YWYKRXSIBOKAHI-UHFFFAOYSA-N 1 0 326.400 3.197 20 5 EGBDRO CS[C@H]1CCCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000134614870 454569337 /nfs/dbraw/zinc/56/93/37/454569337.db2.gz GQGXITUQFVTTEU-ZDUSSCGKSA-N 1 0 337.445 3.141 20 5 EGBDRO CC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1ccc2c(c1)OCO2 ZINC000065532797 454586469 /nfs/dbraw/zinc/58/64/69/454586469.db2.gz RVQFIWYVBSOHRY-UHFFFAOYSA-N 1 0 344.367 3.224 20 5 EGBDRO Cc1cc(N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000092642498 454597889 /nfs/dbraw/zinc/59/78/89/454597889.db2.gz BZSRTNDRYMFXEK-IYBDPMFKSA-N 1 0 347.459 3.229 20 5 EGBDRO Cc1cc(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)ncc1[N+](=O)[O-] ZINC000074738634 454627116 /nfs/dbraw/zinc/62/71/16/454627116.db2.gz IHPYXTFHIIYOEE-UHFFFAOYSA-N 1 0 344.390 3.150 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCn2cccc2[C@@H]1C ZINC000105593614 454645226 /nfs/dbraw/zinc/64/52/26/454645226.db2.gz UWCSKRAXXMEMDH-AWEZNQCLSA-N 1 0 342.399 3.110 20 5 EGBDRO Cc1cc(NCC2([NH+]3CCCCC3)CCOCC2)ccc1[N+](=O)[O-] ZINC000081018673 454672234 /nfs/dbraw/zinc/67/22/34/454672234.db2.gz WHRVRFZNNCICBU-UHFFFAOYSA-N 1 0 333.432 3.350 20 5 EGBDRO CC[C@H](CCO)[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000123829452 454680047 /nfs/dbraw/zinc/68/00/47/454680047.db2.gz URQQXIXPGREALL-GFCCVEGCSA-N 1 0 334.372 3.114 20 5 EGBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1nc2sccn2c1[N+](=O)[O-] ZINC000106139208 454680932 /nfs/dbraw/zinc/68/09/32/454680932.db2.gz BASXIAGOQRVNSQ-TUAOUCFPSA-N 1 0 337.449 3.082 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CCC[C@H](CCO)C2)o1 ZINC000093106408 454682938 /nfs/dbraw/zinc/68/29/38/454682938.db2.gz LOUDIMSXOOQBSU-CQSZACIVSA-N 1 0 330.384 3.449 20 5 EGBDRO CCC(CC)(CC)[NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000081156427 454691159 /nfs/dbraw/zinc/69/11/59/454691159.db2.gz MWBFUXOHTJYATL-UHFFFAOYSA-N 1 0 335.404 3.451 20 5 EGBDRO C[C@@H]([NH2+]C[C@@H]1CCN(CC(F)(F)F)C1)c1cccc([N+](=O)[O-])c1 ZINC000124243916 454709001 /nfs/dbraw/zinc/70/90/01/454709001.db2.gz DSVCGWZHLXSSRR-NEPJUHHUSA-N 1 0 331.338 3.130 20 5 EGBDRO CCCC[NH+]1CCC(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000176370426 454735825 /nfs/dbraw/zinc/73/58/25/454735825.db2.gz CSPQQJZTFYVOTN-UHFFFAOYSA-N 1 0 339.823 3.243 20 5 EGBDRO CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000152920505 454741851 /nfs/dbraw/zinc/74/18/51/454741851.db2.gz RRZHPSRJVGMKRG-CQSZACIVSA-N 1 0 345.424 3.034 20 5 EGBDRO CC(C)[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000140424149 454820630 /nfs/dbraw/zinc/82/06/30/454820630.db2.gz ZSSSTIXYFGNJDO-CYBMUJFWSA-N 1 0 325.796 3.307 20 5 EGBDRO CCCN(CC[NH+](CC)CC)C(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000163163297 454827722 /nfs/dbraw/zinc/82/77/22/454827722.db2.gz ZBUSBIJAXMFGSR-UHFFFAOYSA-N 1 0 336.436 3.489 20 5 EGBDRO Cc1c(NC(=O)NCCC[NH2+]C2CCCCC2)cccc1[N+](=O)[O-] ZINC000125694208 454839432 /nfs/dbraw/zinc/83/94/32/454839432.db2.gz HCMBFPKBVUNECW-UHFFFAOYSA-N 1 0 334.420 3.337 20 5 EGBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NCCCCC[NH+]1CCCCC1 ZINC000110599633 454848503 /nfs/dbraw/zinc/84/85/03/454848503.db2.gz HOLAQSXEZOPGKQ-UHFFFAOYSA-N 1 0 348.447 3.023 20 5 EGBDRO C[NH+](C)CCN(Cc1ccccc1)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000154017256 454857113 /nfs/dbraw/zinc/85/71/13/454857113.db2.gz VHDFMWBFCHAGGP-UHFFFAOYSA-N 1 0 334.807 3.211 20 5 EGBDRO COc1ccc(-c2ccc(C[NH2+][C@@H](C)CCCO)o2)c([N+](=O)[O-])c1 ZINC000154125753 454867917 /nfs/dbraw/zinc/86/79/17/454867917.db2.gz LSOJJWBNSJTKSW-LBPRGKRZSA-N 1 0 334.372 3.114 20 5 EGBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2ccc(-c3ccccc3Cl)o2)c1 ZINC000151263280 454960694 /nfs/dbraw/zinc/96/06/94/454960694.db2.gz IEYVLBNMIDPHLQ-UHFFFAOYSA-N 1 0 346.774 3.495 20 5 EGBDRO CN(C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1)C(=O)OC(C)(C)C ZINC000170917714 454998224 /nfs/dbraw/zinc/99/82/24/454998224.db2.gz PIAVYAAJNUQORB-HNNXBMFYSA-N 1 0 349.431 3.284 20 5 EGBDRO CCCN(CC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000127833734 455002886 /nfs/dbraw/zinc/00/28/86/455002886.db2.gz FVRLNUWKDXRHGC-UHFFFAOYSA-N 1 0 347.337 3.027 20 5 EGBDRO CC(C)[NH+]1CCC(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC1 ZINC000179397916 455044901 /nfs/dbraw/zinc/04/49/01/455044901.db2.gz TZEXCCYRJCTXGF-UHFFFAOYSA-N 1 0 345.443 3.206 20 5 EGBDRO O=[N+]([O-])c1ccc(C[N@@H+](Cc2ccccc2)[C@@H](CO)C2CC2)cc1 ZINC000155923367 455063276 /nfs/dbraw/zinc/06/32/76/455063276.db2.gz HGGCBLGIGZBBSZ-IBGZPJMESA-N 1 0 326.396 3.368 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000156078994 455079331 /nfs/dbraw/zinc/07/93/31/455079331.db2.gz IMFYXEIJFHMYDA-CQSZACIVSA-N 1 0 348.428 3.389 20 5 EGBDRO C[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)CC1CCOCC1 ZINC000156082029 455079410 /nfs/dbraw/zinc/07/94/10/455079410.db2.gz IIVGJQIKPMVEEL-UHFFFAOYSA-N 1 0 331.372 3.108 20 5 EGBDRO CC(C)C[C@@H]1CCC[N@@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000117337447 455083927 /nfs/dbraw/zinc/08/39/27/455083927.db2.gz KFJMHJPNNJDHJX-AWEZNQCLSA-N 1 0 347.415 3.403 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CC3CCOCC3)cs2)c1 ZINC000172117294 455124031 /nfs/dbraw/zinc/12/40/31/455124031.db2.gz AHODVXZKBYIKDB-UHFFFAOYSA-N 1 0 333.413 3.235 20 5 EGBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000172153390 455128886 /nfs/dbraw/zinc/12/88/86/455128886.db2.gz MPYLYSOMMSDMON-MRXNPFEDSA-N 1 0 348.447 3.001 20 5 EGBDRO Cc1c([C@H](C)[NH2+]C[C@H](O)COc2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000152560174 455136319 /nfs/dbraw/zinc/13/63/19/455136319.db2.gz DRIPDCARUFUHFY-ZFWWWQNUSA-N 1 0 348.374 3.133 20 5 EGBDRO CC(C)(C)[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000152572532 455137418 /nfs/dbraw/zinc/13/74/18/455137418.db2.gz VXOZNLYFZTVVDK-UHFFFAOYSA-N 1 0 339.823 3.241 20 5 EGBDRO CC[N@@H+](Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-])CC1CC1 ZINC000180148916 455139745 /nfs/dbraw/zinc/13/97/45/455139745.db2.gz DCBZVQBWXRARCV-UHFFFAOYSA-N 1 0 344.358 3.479 20 5 EGBDRO C[NH+](C)[C@@H]1CCCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000130151829 455144405 /nfs/dbraw/zinc/14/44/05/455144405.db2.gz HZFFBHZKQCOAQT-MRXNPFEDSA-N 1 0 329.400 3.381 20 5 EGBDRO COC(=O)c1ccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1F ZINC000180407035 455164887 /nfs/dbraw/zinc/16/48/87/455164887.db2.gz LIRNYOLASVGSBU-NSHDSACASA-N 1 0 332.331 3.371 20 5 EGBDRO Cc1cccnc1C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000180522832 455188492 /nfs/dbraw/zinc/18/84/92/455188492.db2.gz NRCUIGNRIPERCE-UHFFFAOYSA-N 1 0 327.384 3.342 20 5 EGBDRO CC(=O)Nc1cccc([C@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000237546679 455193803 /nfs/dbraw/zinc/19/38/03/455193803.db2.gz XFTWZJIAMCZDLT-ZDUSSCGKSA-N 1 0 327.384 3.447 20 5 EGBDRO C[C@H](O)[C@@H]1CCCC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000264409392 455207351 /nfs/dbraw/zinc/20/73/51/455207351.db2.gz JLEFAEPFHXVJKA-BBRMVZONSA-N 1 0 345.399 3.028 20 5 EGBDRO CC(C)(C)OC(=O)N1CC=C(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000189499255 455208429 /nfs/dbraw/zinc/20/84/29/455208429.db2.gz SVCHVSSJPUYIAJ-UHFFFAOYSA-N 1 0 347.415 3.252 20 5 EGBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2Cc3ccccc3[C@H]2O)cc1[N+](=O)[O-] ZINC000245507018 455317119 /nfs/dbraw/zinc/31/71/19/455317119.db2.gz PAHSCPQENSAKED-JOKNJTHLSA-N 1 0 342.395 3.302 20 5 EGBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+](Cc1cccs1)C1CC1 ZINC000181516659 455347865 /nfs/dbraw/zinc/34/78/65/455347865.db2.gz ODNIIODFEPHLOE-AWEZNQCLSA-N 1 0 348.424 3.061 20 5 EGBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[NH+]1CCCCCC1 ZINC000184681420 455426841 /nfs/dbraw/zinc/42/68/41/455426841.db2.gz DRIODKIUBHBOGL-KRWDZBQOSA-N 1 0 347.459 3.156 20 5 EGBDRO CC[NH+](CC)C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000182201212 455459986 /nfs/dbraw/zinc/45/99/86/455459986.db2.gz CEYYWGZQIBFBBE-ZDUSSCGKSA-N 1 0 325.840 3.412 20 5 EGBDRO CCC[N@H+](C)C[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000182210917 455461580 /nfs/dbraw/zinc/46/15/80/455461580.db2.gz OXSRYNDBNSTJLV-CYBMUJFWSA-N 1 0 325.840 3.412 20 5 EGBDRO C[C@@H]([NH2+]C[C@H](CO)Cc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000266852840 455463168 /nfs/dbraw/zinc/46/31/68/455463168.db2.gz JHEHYCBYCWFZGQ-UKRRQHHQSA-N 1 0 332.375 3.236 20 5 EGBDRO Cc1ccccc1C[C@@H](CO)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000191561184 455496488 /nfs/dbraw/zinc/49/64/88/455496488.db2.gz UJVAIPKAGBIKEN-QAPCUYQASA-N 1 0 328.412 3.466 20 5 EGBDRO COC(=O)[C@](C)(C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000191585276 455500816 /nfs/dbraw/zinc/50/08/16/455500816.db2.gz HYJYLVCBHFVOEB-LJQANCHMSA-N 1 0 342.395 3.124 20 5 EGBDRO Cc1cccc(C[C@H](CO)[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000191600802 455502960 /nfs/dbraw/zinc/50/29/60/455502960.db2.gz BGUXRWXIXZDVSA-QFBILLFUSA-N 1 0 342.439 3.418 20 5 EGBDRO CC(C)[NH+](CCSCC(=O)Nc1ccccc1[N+](=O)[O-])C(C)C ZINC000160952080 455517733 /nfs/dbraw/zinc/51/77/33/455517733.db2.gz MUZCAIOEWAMOJN-UHFFFAOYSA-N 1 0 339.461 3.385 20 5 EGBDRO C[C@@H]1C[C@@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CN1C1CC1 ZINC000246861589 455531394 /nfs/dbraw/zinc/53/13/94/455531394.db2.gz CMYQWAHTNSWSIP-MZMPZRCHSA-N 1 0 329.444 3.131 20 5 EGBDRO CC[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1cccc(Cl)c1 ZINC000182585585 455546465 /nfs/dbraw/zinc/54/64/65/455546465.db2.gz BPDPXKDMUINWKU-HNNXBMFYSA-N 1 0 335.791 3.151 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(NC2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000268065989 455587786 /nfs/dbraw/zinc/58/77/86/455587786.db2.gz AWBURJPCOUZTIQ-UHFFFAOYSA-N 1 0 326.400 3.375 20 5 EGBDRO Nc1ccc(NC[C@H]2CC[N@H+](CCc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000283967799 455617863 /nfs/dbraw/zinc/61/78/63/455617863.db2.gz ZEJNEOKQDMWCHV-MRXNPFEDSA-N 1 0 340.427 3.154 20 5 EGBDRO Cc1c([C@H](C)[NH2+][C@@H](CO)C[C@H](O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000271465070 455647301 /nfs/dbraw/zinc/64/73/01/455647301.db2.gz GQGQFCYUOATSLJ-GMBSWORKSA-N 1 0 344.411 3.038 20 5 EGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1cnn(C)c1C ZINC000271471558 455649843 /nfs/dbraw/zinc/64/98/43/455649843.db2.gz IJLQHUYREGUKJN-AWEZNQCLSA-N 1 0 334.445 3.297 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@@H]1[C@@H]1COCC[C@]1(C)O ZINC000284904699 455759897 /nfs/dbraw/zinc/75/98/97/455759897.db2.gz TZNBPPBUULQAKA-FZDIXFNVSA-N 1 0 348.443 3.216 20 5 EGBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1Cc2ccccc2C1 ZINC000278236155 455794459 /nfs/dbraw/zinc/79/44/59/455794459.db2.gz NFRHDBSSNSOLLM-UHFFFAOYSA-N 1 0 327.340 3.102 20 5 EGBDRO CC(C)[N@@H+](Cc1ccccc1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000194361955 455832565 /nfs/dbraw/zinc/83/25/65/455832565.db2.gz XSFDCWZOTRHXIH-QGZVFWFLSA-N 1 0 344.411 3.245 20 5 EGBDRO CCC1([NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CCCC1 ZINC000296175519 455872584 /nfs/dbraw/zinc/87/25/84/455872584.db2.gz ICMNWNJQWKXPRP-UHFFFAOYSA-N 1 0 335.404 3.244 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000270134271 455885282 /nfs/dbraw/zinc/88/52/82/455885282.db2.gz OIKBUOTZUUPUAQ-OAHLLOKOSA-N 1 0 346.431 3.099 20 5 EGBDRO C[NH+]1CCC([C@H]2CCN(c3ccc4ncccc4c3[N+](=O)[O-])C2)CC1 ZINC000270182772 455896170 /nfs/dbraw/zinc/89/61/70/455896170.db2.gz NDVGCVBPGLVYBT-HNNXBMFYSA-N 1 0 340.427 3.311 20 5 EGBDRO C[NH+]1CCC([C@@H]2CCN(c3ccc4cc([N+](=O)[O-])ccc4n3)C2)CC1 ZINC000270247259 455911682 /nfs/dbraw/zinc/91/16/82/455911682.db2.gz XOOXJJDVENYWIK-MRXNPFEDSA-N 1 0 340.427 3.311 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCC([C@@H]3CCC[NH2+]3)CC2)c2ncccc12 ZINC000261703639 455931234 /nfs/dbraw/zinc/93/12/34/455931234.db2.gz OZSKWZKZPOKBCK-HNNXBMFYSA-N 1 0 326.400 3.111 20 5 EGBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)c1ccc([N+](=O)[O-])c2cnccc21 ZINC000272501120 455973172 /nfs/dbraw/zinc/97/31/72/455973172.db2.gz LIMKJSAMGYAZTB-ZDUSSCGKSA-N 1 0 328.416 3.310 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1ccc(CN2CC[C@]3(CC[NH2+]C3)C2)o1 ZINC000261939859 455974121 /nfs/dbraw/zinc/97/41/21/455974121.db2.gz DNNVPQNIYISFDI-SFHVURJKSA-N 1 0 327.384 3.040 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1C[C@H]2CCCC[N@H+]2C[C@H]1C ZINC000332517605 456085728 /nfs/dbraw/zinc/08/57/28/456085728.db2.gz KSUVJXCCDGBKFB-GDBMZVCRSA-N 1 0 345.443 3.219 20 5 EGBDRO CCC[N@H+](C)C[C@H]1CCN(c2nccc3cc([N+](=O)[O-])ccc32)C1 ZINC000297006939 456090082 /nfs/dbraw/zinc/09/00/82/456090082.db2.gz GFXUMKIMXCQHBH-CQSZACIVSA-N 1 0 328.416 3.311 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]([NH+]3CC=CC3)C2)cc1C(F)(F)F ZINC000301483569 456127396 /nfs/dbraw/zinc/12/73/96/456127396.db2.gz UQDZZAYIDBCVKS-GFCCVEGCSA-N 1 0 327.306 3.064 20 5 EGBDRO CC[C@@H](COCC(F)(F)F)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000297181315 456143027 /nfs/dbraw/zinc/14/30/27/456143027.db2.gz DXLVXCHJBAYPCN-ONGXEEELSA-N 1 0 335.326 3.185 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000289872910 456164092 /nfs/dbraw/zinc/16/40/92/456164092.db2.gz QWYXESBWIISKFU-LBPRGKRZSA-N 1 0 341.358 3.209 20 5 EGBDRO CCN(C)C(=O)[C@@H](C)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000188896823 456165031 /nfs/dbraw/zinc/16/50/31/456165031.db2.gz WOTTWSOSPMOCOH-GFCCVEGCSA-N 1 0 347.440 3.280 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000289883898 456166862 /nfs/dbraw/zinc/16/68/62/456166862.db2.gz SPPRUTLFQTXSKL-UHFFFAOYSA-N 1 0 334.420 3.152 20 5 EGBDRO Cc1nc(N2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000301648916 456173115 /nfs/dbraw/zinc/17/31/15/456173115.db2.gz IVZDMXFPOOAUSD-HNNXBMFYSA-N 1 0 340.427 3.399 20 5 EGBDRO CN(C)c1cccnc1C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000289922538 456182227 /nfs/dbraw/zinc/18/22/27/456182227.db2.gz UYUMDXBOQSLSDW-MRXNPFEDSA-N 1 0 340.427 3.167 20 5 EGBDRO O=[N+]([O-])c1cnc(NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)nc1 ZINC000273166138 456198249 /nfs/dbraw/zinc/19/82/49/456198249.db2.gz LOBVIFLEKGWTOC-UHFFFAOYSA-N 1 0 347.806 3.115 20 5 EGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC[C@@H](C)CCO ZINC000297388513 456206232 /nfs/dbraw/zinc/20/62/32/456206232.db2.gz RQLPXFQEQIBQOW-ZIAGYGMSSA-N 1 0 326.462 3.464 20 5 EGBDRO COc1cc(NCc2ccc(C[NH+](C)C)c(F)c2)ccc1[N+](=O)[O-] ZINC000301899247 456246330 /nfs/dbraw/zinc/24/63/30/456246330.db2.gz XREYZIUZYLGOBT-UHFFFAOYSA-N 1 0 333.363 3.416 20 5 EGBDRO COc1cc(C[NH2+][C@H](C)C2CC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000237205500 456247776 /nfs/dbraw/zinc/24/77/76/456247776.db2.gz VMBBQGQKXCJMSE-SECBINFHSA-N 1 0 348.321 3.433 20 5 EGBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2c2nccc3cc([N+](=O)[O-])ccc32)C1 ZINC000297548321 456248550 /nfs/dbraw/zinc/24/85/50/456248550.db2.gz QOSUKCNNKHUPPQ-RHSMWYFYSA-N 1 0 326.400 3.064 20 5 EGBDRO COc1cc(N(C)CC[C@@H]2CCCC[N@@H+]2C)c(F)cc1[N+](=O)[O-] ZINC000301932151 456253636 /nfs/dbraw/zinc/25/36/36/456253636.db2.gz PETCQYRXZZLGGR-LBPRGKRZSA-N 1 0 325.384 3.053 20 5 EGBDRO COc1ccc(C[N@@H+]2CCCN(c3sccc3[N+](=O)[O-])CC2)cc1 ZINC000301941025 456255595 /nfs/dbraw/zinc/25/55/95/456255595.db2.gz VHHYXYSBNWLKRK-UHFFFAOYSA-N 1 0 347.440 3.377 20 5 EGBDRO Cc1cc(N2CC[C@H]([NH+]3CCCC3)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000302034244 456273480 /nfs/dbraw/zinc/27/34/80/456273480.db2.gz TZHNZTAQOMSFCS-AWEZNQCLSA-N 1 0 326.400 3.126 20 5 EGBDRO Cc1cc(NCCc2nnc3ccccn32)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302186522 456311633 /nfs/dbraw/zinc/31/16/33/456311633.db2.gz PQGDRHGMGIFMOH-UHFFFAOYSA-N 1 0 348.366 3.149 20 5 EGBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000347712742 456320393 /nfs/dbraw/zinc/32/03/93/456320393.db2.gz BGTPNFOAMMICLG-MRXNPFEDSA-N 1 0 327.384 3.248 20 5 EGBDRO C[N@@H+]1CCC[C@H]2CN(c3ccc([N+](=O)[O-])cc3OC(F)F)CC[C@H]21 ZINC000302226798 456323922 /nfs/dbraw/zinc/32/39/22/456323922.db2.gz PUPPGUDQWDYUPP-WCQYABFASA-N 1 0 341.358 3.117 20 5 EGBDRO C[NH+](C)CCc1ccc(CNc2ncc(Cl)cc2[N+](=O)[O-])cc1 ZINC000275974537 456361834 /nfs/dbraw/zinc/36/18/34/456361834.db2.gz ALYQADLMGRPGSI-UHFFFAOYSA-N 1 0 334.807 3.359 20 5 EGBDRO COc1cc(C[N@@H+]2CCCCC[C@H]2C[C@@H](C)O)c([N+](=O)[O-])cc1F ZINC000352886218 456390058 /nfs/dbraw/zinc/39/00/58/456390058.db2.gz PLCVKQGBYDYSCO-OCCSQVGLSA-N 1 0 340.395 3.258 20 5 EGBDRO CC(C)(C)[N@@H+]1CC[C@@](F)(c2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000290702469 456409791 /nfs/dbraw/zinc/40/97/91/456409791.db2.gz VLIRHXITEHCQBY-INIZCTEOSA-N 1 0 334.351 3.314 20 5 EGBDRO CCCN(CCC[NH+](C)C)C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000276282429 456434071 /nfs/dbraw/zinc/43/40/71/456434071.db2.gz BUUUUKKRKYTODZ-UHFFFAOYSA-N 1 0 327.812 3.052 20 5 EGBDRO O=[N+]([O-])c1cc(C[NH2+]Cc2ccccc2Cn2ccnc2)cs1 ZINC000343150378 456436512 /nfs/dbraw/zinc/43/65/12/456436512.db2.gz DSEJMGYDGSJJIJ-UHFFFAOYSA-N 1 0 328.397 3.191 20 5 EGBDRO C[NH+](C)CCc1ccc(CNc2ccc([N+](=O)[O-])c(N)c2F)cc1 ZINC000276365771 456458775 /nfs/dbraw/zinc/45/87/75/456458775.db2.gz WJCBKMZREKELAL-UHFFFAOYSA-N 1 0 332.379 3.032 20 5 EGBDRO CCOc1ccc([C@H](C)[NH2+]CCC(OCC)OCC)cc1[N+](=O)[O-] ZINC000276496998 456498212 /nfs/dbraw/zinc/49/82/12/456498212.db2.gz IRPASSOICYJIDU-ZDUSSCGKSA-N 1 0 340.420 3.433 20 5 EGBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2c2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000276546967 456512194 /nfs/dbraw/zinc/51/21/94/456512194.db2.gz DVZIVVXPMJNVMA-GOEBONIOSA-N 1 0 326.400 3.064 20 5 EGBDRO CC[N@@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)C[C@@H](C)OC ZINC000291076896 456520770 /nfs/dbraw/zinc/52/07/70/456520770.db2.gz MRIBHBFQPUYEOY-SNVBAGLBSA-N 1 0 331.210 3.214 20 5 EGBDRO COc1ccc(-c2ccc(C[NH2+]C[C@H]3CC[C@H](O)C3)o2)c([N+](=O)[O-])c1 ZINC000353205229 456559215 /nfs/dbraw/zinc/55/92/15/456559215.db2.gz IAPVUFBMZPEQAD-STQMWFEESA-N 1 0 346.383 3.114 20 5 EGBDRO COc1ccc(-c2ccc(C[NH2+]C[C@@H]3CC[C@H](O)C3)o2)c([N+](=O)[O-])c1 ZINC000353205227 456559242 /nfs/dbraw/zinc/55/92/42/456559242.db2.gz IAPVUFBMZPEQAD-OLZOCXBDSA-N 1 0 346.383 3.114 20 5 EGBDRO COc1cccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000298893111 456564156 /nfs/dbraw/zinc/56/41/56/456564156.db2.gz YINSFWSLHPVJKG-CHWSQXEVSA-N 1 0 343.383 3.281 20 5 EGBDRO COc1cc(N[C@H]2CC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000310217549 456580793 /nfs/dbraw/zinc/58/07/93/456580793.db2.gz WDTBJCRUWJSQNN-INIZCTEOSA-N 1 0 327.384 3.290 20 5 EGBDRO Cc1c(NC(=O)NCC(C)(C)C[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000276898088 456613795 /nfs/dbraw/zinc/61/37/95/456613795.db2.gz MXMGTSLOXYWZFD-UHFFFAOYSA-N 1 0 334.420 3.147 20 5 EGBDRO CCOc1cc(CN2CCC([NH+]3CCCCC3)CC2)ccc1[N+](=O)[O-] ZINC000276919248 456618918 /nfs/dbraw/zinc/61/89/18/456618918.db2.gz OXQXZWBGRGZUFS-UHFFFAOYSA-N 1 0 347.459 3.444 20 5 EGBDRO C[C@@H](CNc1ncnc2sc([N+](=O)[O-])cc21)C[NH+]1CCCCC1 ZINC000323763881 456655938 /nfs/dbraw/zinc/65/59/38/456655938.db2.gz WTSMSALNCCKWFX-NSHDSACASA-N 1 0 335.433 3.133 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000353424233 456691568 /nfs/dbraw/zinc/69/15/68/456691568.db2.gz SPBDHSPDACCCRN-QGZVFWFLSA-N 1 0 333.432 3.054 20 5 EGBDRO COc1ccccc1[C@@H](CNc1ncc([N+](=O)[O-])cc1C)[NH+](C)C ZINC000301192620 456819460 /nfs/dbraw/zinc/81/94/60/456819460.db2.gz MYULSQGANORIFF-OAHLLOKOSA-N 1 0 330.388 3.022 20 5 EGBDRO Nc1c(F)c(N[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000348720318 456828659 /nfs/dbraw/zinc/82/86/59/456828659.db2.gz AFBGZHAIUAHQGW-CYBMUJFWSA-N 1 0 330.363 3.003 20 5 EGBDRO C[NH+](C)C1(CNc2ncnc3sc([N+](=O)[O-])cc32)CCCCC1 ZINC000341364609 456857211 /nfs/dbraw/zinc/85/72/11/456857211.db2.gz VEHQCDJSOZKAPN-UHFFFAOYSA-N 1 0 335.433 3.276 20 5 EGBDRO Cc1ccoc1C[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000292133122 456864075 /nfs/dbraw/zinc/86/40/75/456864075.db2.gz IOVFYSVYXHMXFN-UHFFFAOYSA-N 1 0 331.372 3.265 20 5 EGBDRO CCOc1ccc([C@H](C)[NH2+]Cc2cnn3ccccc23)cc1[N+](=O)[O-] ZINC000353918104 456964693 /nfs/dbraw/zinc/96/46/93/456964693.db2.gz IFCPJVPLACHFBD-ZDUSSCGKSA-N 1 0 340.383 3.492 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000353920675 456965353 /nfs/dbraw/zinc/96/53/53/456965353.db2.gz DVIRGNVKRSWETF-AWEZNQCLSA-N 1 0 346.431 3.107 20 5 EGBDRO CCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000354136326 457087598 /nfs/dbraw/zinc/08/75/98/457087598.db2.gz IZNMMGKDZPMGGU-GOEBONIOSA-N 1 0 348.447 3.138 20 5 EGBDRO CC[C@H](C)[NH2+][C@@H](CNC(=O)c1cccc(C)c1[N+](=O)[O-])c1ccco1 ZINC000359550263 457095322 /nfs/dbraw/zinc/09/53/22/457095322.db2.gz XOPMFXRNKUJCKU-ZFWWWQNUSA-N 1 0 345.399 3.355 20 5 EGBDRO CC[C@H](C)[NH2+][C@@H](CNC(=O)c1cc(C)ccc1[N+](=O)[O-])c1ccco1 ZINC000359567272 457097152 /nfs/dbraw/zinc/09/71/52/457097152.db2.gz WTYIFLSFVUJBKK-ZFWWWQNUSA-N 1 0 345.399 3.355 20 5 EGBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000354417751 457209531 /nfs/dbraw/zinc/20/95/31/457209531.db2.gz CNWIWCXNZKZFOU-DGCLKSJQSA-N 1 0 339.823 3.193 20 5 EGBDRO C[C@@H](C1CCC1)[N@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000357042134 457294433 /nfs/dbraw/zinc/29/44/33/457294433.db2.gz RNQUKCAGEHXALY-JTQLQIEISA-N 1 0 325.796 3.307 20 5 EGBDRO Cn1cc(C[C@H]2CC[N@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C2)cn1 ZINC000363353930 457302978 /nfs/dbraw/zinc/30/29/78/457302978.db2.gz WTUJQJLQUDAWNJ-GFCCVEGCSA-N 1 0 334.807 3.046 20 5 EGBDRO C[NH+](C)CC[C@H](NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)C(C)(C)C ZINC000347249129 457310525 /nfs/dbraw/zinc/31/05/25/457310525.db2.gz CYXFIJDCLRZZPD-AWEZNQCLSA-N 1 0 340.399 3.222 20 5 EGBDRO C[N@@H+]1CC[C@@H]2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])[C@H]2C1 ZINC000352089142 457337069 /nfs/dbraw/zinc/33/70/69/457337069.db2.gz HRMGJQLEYQZBEV-YGRLFVJLSA-N 1 0 329.322 3.144 20 5 EGBDRO CC(C)(CNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000347313342 457347917 /nfs/dbraw/zinc/34/79/17/457347917.db2.gz ZBUFBXMXDQKXTB-UHFFFAOYSA-N 1 0 338.383 3.120 20 5 EGBDRO CC(=Cc1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@H](c2nnc(C)[nH]2)C1 ZINC000347350410 457369187 /nfs/dbraw/zinc/36/91/87/457369187.db2.gz AVVQNCATRHUUMH-RCBBPTIPSA-N 1 0 341.415 3.304 20 5 EGBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)cc1 ZINC000352441396 457369574 /nfs/dbraw/zinc/36/95/74/457369574.db2.gz WYSISIHRCYKZSI-IRXDYDNUSA-N 1 0 332.400 3.007 20 5 EGBDRO CC[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000363587693 457373063 /nfs/dbraw/zinc/37/30/63/457373063.db2.gz SYTZBKKUJZHECX-HZPDHXFCSA-N 1 0 328.416 3.487 20 5 EGBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)CC[C@@H]1CCCO1 ZINC000342605593 457396044 /nfs/dbraw/zinc/39/60/44/457396044.db2.gz YWHNYQZXBPMNOI-WFASDCNBSA-N 1 0 346.387 3.207 20 5 EGBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)CC[C@@H]1CCCO1 ZINC000342605589 457396721 /nfs/dbraw/zinc/39/67/21/457396721.db2.gz YWHNYQZXBPMNOI-DOMZBBRYSA-N 1 0 346.387 3.207 20 5 EGBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000360912995 457429506 /nfs/dbraw/zinc/42/95/06/457429506.db2.gz GGRIRBCQSMQFIZ-CYBMUJFWSA-N 1 0 331.420 3.052 20 5 EGBDRO CCC[C@H]([NH2+]C(C)C)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000356135011 457476925 /nfs/dbraw/zinc/47/69/25/457476925.db2.gz WFRKTTNQUKUNPP-AWEZNQCLSA-N 1 0 327.812 3.031 20 5 EGBDRO C[N@H+](Cc1ccc(Br)cc1[N+](=O)[O-])[C@H](CO)C(C)(C)C ZINC000425412784 457541007 /nfs/dbraw/zinc/54/10/07/457541007.db2.gz ANKLCYWUVIHXOB-CYBMUJFWSA-N 1 0 345.237 3.196 20 5 EGBDRO COC(=O)CC1([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCC1 ZINC000347630488 457560781 /nfs/dbraw/zinc/56/07/81/457560781.db2.gz NSETXSRMLPDBMR-UHFFFAOYSA-N 1 0 344.367 3.430 20 5 EGBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000408193118 457561347 /nfs/dbraw/zinc/56/13/47/457561347.db2.gz QYALULYKQUCPHP-FRRDWIJNSA-N 1 0 338.839 3.485 20 5 EGBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[C@@H]1OC ZINC000361156848 457618117 /nfs/dbraw/zinc/61/81/17/457618117.db2.gz YVZLLXCPWDDEOR-NXHRZFHOSA-N 1 0 346.383 3.137 20 5 EGBDRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000357848571 457711108 /nfs/dbraw/zinc/71/11/08/457711108.db2.gz JPBPVBDBXGSJEE-KDOFPFPSSA-N 1 0 341.411 3.324 20 5 EGBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1)C(=O)N(C)C ZINC000357870689 457718798 /nfs/dbraw/zinc/71/87/98/457718798.db2.gz HPFGQFMYNNIPGQ-NWDGAFQWSA-N 1 0 347.440 3.451 20 5 EGBDRO CCC[C@@H]([NH2+]Cc1cccn(CC)c1=O)c1cccc([N+](=O)[O-])c1 ZINC000433094940 457757241 /nfs/dbraw/zinc/75/72/41/457757241.db2.gz BGVRAIAOZLCMDH-QGZVFWFLSA-N 1 0 329.400 3.407 20 5 EGBDRO O=[N+]([O-])c1cc(C[NH2+]CC2(CO)CC(c3ccccc3)C2)cs1 ZINC000433206025 457778955 /nfs/dbraw/zinc/77/89/55/457778955.db2.gz GBDDBDIESSUHEA-UHFFFAOYSA-N 1 0 332.425 3.302 20 5 EGBDRO COc1cc(C[N@@H+]2CC[C@H](c3ccco3)C2)c([N+](=O)[O-])cc1OC ZINC000371331743 457871800 /nfs/dbraw/zinc/87/18/00/457871800.db2.gz KLZYANVQMAKOFI-LBPRGKRZSA-N 1 0 332.356 3.195 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000366647558 457875316 /nfs/dbraw/zinc/87/53/16/457875316.db2.gz SUYCBGMYWKZZKA-GDBMZVCRSA-N 1 0 346.383 3.285 20 5 EGBDRO C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC[C@H]1C ZINC000411409826 457879441 /nfs/dbraw/zinc/87/94/41/457879441.db2.gz RIZKRVAWWYGXNC-IDCJVQTKSA-N 1 0 345.443 3.077 20 5 EGBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)C[C@@H]1C ZINC000361871230 457919758 /nfs/dbraw/zinc/91/97/58/457919758.db2.gz JGYFMKARQGSJCX-UONOGXRCSA-N 1 0 334.420 3.158 20 5 EGBDRO O=[N+]([O-])c1ccn(C2CC[NH+]([C@@H]3C[C@H]3c3cccc(F)c3)CC2)n1 ZINC000411655741 457940384 /nfs/dbraw/zinc/94/03/84/457940384.db2.gz MLLXIAUNLPCXDV-JKSUJKDBSA-N 1 0 330.363 3.123 20 5 EGBDRO COCC[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C[C@H]1CC=CCC1 ZINC000444705380 457949367 /nfs/dbraw/zinc/94/93/67/457949367.db2.gz AWYGMGZGQFNOFM-AWEZNQCLSA-N 1 0 344.415 3.276 20 5 EGBDRO CCCC[C@@H](C)[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000411741342 457967286 /nfs/dbraw/zinc/96/72/86/457967286.db2.gz DVGCQHOAEGXNBO-CYBMUJFWSA-N 1 0 337.420 3.443 20 5 EGBDRO Cc1cccc(NCC[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000358388883 457971385 /nfs/dbraw/zinc/97/13/85/457971385.db2.gz VXJVTQGXOJHAOS-KRWDZBQOSA-N 1 0 340.427 3.321 20 5 EGBDRO Cc1ccccc1O[C@@H]1CCCC[C@@H]1[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000362029166 458012941 /nfs/dbraw/zinc/01/29/41/458012941.db2.gz RWZQJBXJBRWEGK-WMLDXEAASA-N 1 0 344.415 3.117 20 5 EGBDRO CCn1nccc1C1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000375732649 458040571 /nfs/dbraw/zinc/04/05/71/458040571.db2.gz PTUKTHVRZPPPEP-UHFFFAOYSA-N 1 0 344.415 3.070 20 5 EGBDRO O=[N+]([O-])c1cccc(F)c1C[NH2+]C1(CO)C2CC3CC(C2)CC1C3 ZINC000412007919 458043132 /nfs/dbraw/zinc/04/31/32/458043132.db2.gz XWEJIQKXWYIPHX-UHFFFAOYSA-N 1 0 334.391 3.011 20 5 EGBDRO CCc1cnccc1[C@H](C)NCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000358520492 458053546 /nfs/dbraw/zinc/05/35/46/458053546.db2.gz VFKXDROUISHUNX-LBPRGKRZSA-N 1 0 343.383 3.270 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](c2ccnn2C)C1 ZINC000371825719 458087952 /nfs/dbraw/zinc/08/79/52/458087952.db2.gz YDMPWSMWEFUYLK-AWEZNQCLSA-N 1 0 344.415 3.107 20 5 EGBDRO CN(Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)CC(C)(C)C[NH3+] ZINC000435374124 458125348 /nfs/dbraw/zinc/12/53/48/458125348.db2.gz WJNYPOJNWOIXEX-UHFFFAOYSA-N 1 0 334.445 3.135 20 5 EGBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@@H](C)C1 ZINC000429014882 458256225 /nfs/dbraw/zinc/25/62/25/458256225.db2.gz ZGWSKGZUQXOWCD-BWACUDIHSA-N 1 0 339.386 3.035 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000429016480 458257398 /nfs/dbraw/zinc/25/73/98/458257398.db2.gz AEAHQWMVUIWVQN-RVKKMQEKSA-N 1 0 347.459 3.156 20 5 EGBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000429041752 458265058 /nfs/dbraw/zinc/26/50/58/458265058.db2.gz QDPXJYJCKYVGLG-XJKCOSOUSA-N 1 0 337.851 3.410 20 5 EGBDRO C[C@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)Cc2ccccc2O1 ZINC000429112500 458273006 /nfs/dbraw/zinc/27/30/06/458273006.db2.gz GPLLXONSDAKRRM-AWEZNQCLSA-N 1 0 328.368 3.257 20 5 EGBDRO CC(C)([NH2+]C[C@@H](O)CCc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000429236076 458295352 /nfs/dbraw/zinc/29/53/52/458295352.db2.gz LBHDAUOUNQRSDK-INIZCTEOSA-N 1 0 328.412 3.413 20 5 EGBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@@H]3CCC4(CCCCC4)O3)CC2)n1 ZINC000369679568 458315124 /nfs/dbraw/zinc/31/51/24/458315124.db2.gz DGAGWMDKPIRHJH-INIZCTEOSA-N 1 0 348.447 3.310 20 5 EGBDRO Cc1cccc(C[C@@H](CO)[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000447599780 458319563 /nfs/dbraw/zinc/31/95/63/458319563.db2.gz YREGHTKJMFDXES-PXNSSMCTSA-N 1 0 340.423 3.474 20 5 EGBDRO COC(=O)[C@H]1CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])[C@H]1C(C)C ZINC000429393193 458327740 /nfs/dbraw/zinc/32/77/40/458327740.db2.gz JCTPZEDFFFUMGM-ZFWWWQNUSA-N 1 0 340.807 3.268 20 5 EGBDRO Cc1cccnc1OC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000429716708 458361633 /nfs/dbraw/zinc/36/16/33/458361633.db2.gz KREPCMBYXBKHII-UHFFFAOYSA-N 1 0 341.411 3.384 20 5 EGBDRO O=C(c1cc2ccccc2c2cccnc12)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000373057859 458388473 /nfs/dbraw/zinc/38/84/73/458388473.db2.gz PQVFPWODYOAULZ-KUHUBIRLSA-N 1 0 331.419 3.212 20 5 EGBDRO CCOc1cc(C[N@@H+](Cc2cnn(C)c2)CC(C)C)ccc1[N+](=O)[O-] ZINC000459596961 458423770 /nfs/dbraw/zinc/42/37/70/458423770.db2.gz OUSRQOJCVOEKLT-UHFFFAOYSA-N 1 0 346.431 3.385 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@]1(C)CCCC[C@H]1C ZINC000459605130 458425917 /nfs/dbraw/zinc/42/59/17/458425917.db2.gz CLQTXIKOLBRHGA-SJKOYZFVSA-N 1 0 335.404 3.100 20 5 EGBDRO Cc1c([C@@H](C)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000423506515 458446034 /nfs/dbraw/zinc/44/60/34/458446034.db2.gz HXVYKDMFIUZQIN-FHLIZLRMSA-N 1 0 325.412 3.309 20 5 EGBDRO CCOC[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000459699269 458451878 /nfs/dbraw/zinc/45/18/78/458451878.db2.gz CRKGSRKJFUOCLN-HNNXBMFYSA-N 1 0 349.431 3.123 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000423599327 458461162 /nfs/dbraw/zinc/46/11/62/458461162.db2.gz BKPQNOKALMJWOG-AWEZNQCLSA-N 1 0 333.432 3.028 20 5 EGBDRO [NH3+][C@@H](CC1CCCCC1)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423855348 458498949 /nfs/dbraw/zinc/49/89/49/458498949.db2.gz WMWBEVGIGAYQQY-HNNXBMFYSA-N 1 0 339.823 3.162 20 5 EGBDRO CNC(=O)c1ccc(C[NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)cc1 ZINC000468622449 458528235 /nfs/dbraw/zinc/52/82/35/458528235.db2.gz RFCLVSRNILOHEG-GXDHUFHOSA-N 1 0 339.395 3.148 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cccc(N(C)C)n1 ZINC000468621882 458528249 /nfs/dbraw/zinc/52/82/49/458528249.db2.gz RSZVNOWGOKHSGV-UVTDQMKNSA-N 1 0 326.400 3.249 20 5 EGBDRO [NH3+][C@@H](CCC(=O)NCCc1ccccc1[N+](=O)[O-])CC1CCCCC1 ZINC000424119644 458563111 /nfs/dbraw/zinc/56/31/11/458563111.db2.gz FZEWZULYTYFICU-KRWDZBQOSA-N 1 0 347.459 3.331 20 5 EGBDRO CN(CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1cccc2[nH]ccc21 ZINC000494039857 458618594 /nfs/dbraw/zinc/61/85/94/458618594.db2.gz VSLQFBYCPZYZGB-UHFFFAOYSA-N 1 0 338.367 3.147 20 5 EGBDRO COC(=O)[C@H]1CC12CC[NH+](C/C(C)=C/c1cccc([N+](=O)[O-])c1)CC2 ZINC000470177645 458620473 /nfs/dbraw/zinc/62/04/73/458620473.db2.gz SSNCRTWLWLLUQH-IDKBZEPQSA-N 1 0 344.411 3.273 20 5 EGBDRO CSc1ccc(-c2nc(C3([NH3+])CCCCC3)no2)cc1[N+](=O)[O-] ZINC000424339293 458621411 /nfs/dbraw/zinc/62/14/11/458621411.db2.gz PTPKXBUROBMTEP-UHFFFAOYSA-N 1 0 334.401 3.485 20 5 EGBDRO CCn1ccnc1[C@@H](C)NC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000456385772 458657918 /nfs/dbraw/zinc/65/79/18/458657918.db2.gz MLMAJWVQHVOIES-SNVBAGLBSA-N 1 0 334.401 3.024 20 5 EGBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(c2ccnc3c2cccc3[N+](=O)[O-])C[C@@H](C)C1 ZINC000432146987 458689478 /nfs/dbraw/zinc/68/94/78/458689478.db2.gz DOGNTBOLOVPUFU-QWQRMKEZSA-N 1 0 340.427 3.310 20 5 EGBDRO CCc1ccc(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000471338117 458689561 /nfs/dbraw/zinc/68/95/61/458689561.db2.gz WVOJUIMMLMMFBF-KGLIPLIRSA-N 1 0 333.432 3.150 20 5 EGBDRO CC[NH+](CC)CCO[C@H]1CCN(c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000432327470 458717220 /nfs/dbraw/zinc/71/72/20/458717220.db2.gz SYTOVICMWSQASU-ZDUSSCGKSA-N 1 0 341.839 3.185 20 5 EGBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000547321039 458719813 /nfs/dbraw/zinc/71/98/13/458719813.db2.gz QBDUSDPRXDHNGL-DLBZAZTESA-N 1 0 347.459 3.010 20 5 EGBDRO CCc1ccc(C(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000471788691 458730191 /nfs/dbraw/zinc/73/01/91/458730191.db2.gz OGEAHRBXKMQNCQ-KGLIPLIRSA-N 1 0 333.432 3.007 20 5 EGBDRO CCC[C@H]1[C@@H](C)CCC[N@@H+]1CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000464742051 458767481 /nfs/dbraw/zinc/76/74/81/458767481.db2.gz WCBPZJMIRKBQKP-BBRMVZONSA-N 1 0 349.431 3.443 20 5 EGBDRO C[N@@H+]1CC[C@@H]2CCN(Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)[C@@H]2C1 ZINC000495087711 458796708 /nfs/dbraw/zinc/79/67/08/458796708.db2.gz KXWMKZNMUWQWEB-RDTXWAMCSA-N 1 0 341.411 3.381 20 5 EGBDRO O=[N+]([O-])c1cnn(CC[N@H+](CCc2ccccc2)C2CCCC2)c1 ZINC000530630332 458802417 /nfs/dbraw/zinc/80/24/17/458802417.db2.gz ZIQYZNPJDJAPBE-UHFFFAOYSA-N 1 0 328.416 3.279 20 5 EGBDRO Cc1cc(NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000473775885 458842008 /nfs/dbraw/zinc/84/20/08/458842008.db2.gz NZROQIPTKXYMGN-HNNXBMFYSA-N 1 0 336.436 3.391 20 5 EGBDRO CC[C@H](O)C[N@H+](CCOc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000441083443 458886716 /nfs/dbraw/zinc/88/67/16/458886716.db2.gz DVPMCMUXZVGFCV-KRWDZBQOSA-N 1 0 344.411 3.247 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]CCN1CC=CCC1 ZINC000475503329 458947879 /nfs/dbraw/zinc/94/78/79/458947879.db2.gz OYGZWNFFXQAGAR-AEFFLSMTSA-N 1 0 329.444 3.158 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1cccc(-n2cncn2)c1 ZINC000531712043 458965172 /nfs/dbraw/zinc/96/51/72/458965172.db2.gz DFENURQJHPTINC-CQSZACIVSA-N 1 0 337.383 3.335 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H](CO)c1cccc(F)c1)CCC2 ZINC000566745182 458993331 /nfs/dbraw/zinc/99/33/31/458993331.db2.gz FUCRSENGTFHYMA-QZTJIDSGSA-N 1 0 330.359 3.435 20 5 EGBDRO CC(=O)N1CC([NH2+][C@H](C)c2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000594507754 459067754 /nfs/dbraw/zinc/06/77/54/459067754.db2.gz QVDYAKBVLZGDCG-LLVKDONJSA-N 1 0 345.424 3.205 20 5 EGBDRO O=[N+]([O-])c1cc2c(ncnc2N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)s1 ZINC000594597613 459103287 /nfs/dbraw/zinc/10/32/87/459103287.db2.gz DDGKPOZNVXUDPZ-RYUDHWBXSA-N 1 0 333.417 3.028 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000567907531 459188166 /nfs/dbraw/zinc/18/81/66/459188166.db2.gz KUAYDNZPAGAYGM-JVCXIRSZSA-N 1 0 329.444 3.416 20 5 EGBDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000521924721 459193069 /nfs/dbraw/zinc/19/30/69/459193069.db2.gz GPLGKUMJZFNFTN-CQSZACIVSA-N 1 0 333.432 3.225 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCC[C@H]([S@@](C)=O)C1 ZINC000594964637 459196231 /nfs/dbraw/zinc/19/62/31/459196231.db2.gz FRZHXZVSTSBGCN-DPYUHDLZSA-N 1 0 336.457 3.277 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCC[C@H]([S@](C)=O)C1 ZINC000594964738 459196524 /nfs/dbraw/zinc/19/65/24/459196524.db2.gz FRZHXZVSTSBGCN-SMSPYMILSA-N 1 0 336.457 3.277 20 5 EGBDRO Cc1cc(N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000480573890 459206616 /nfs/dbraw/zinc/20/66/16/459206616.db2.gz DZYLIZBFPACFKT-HDICACEKSA-N 1 0 337.423 3.471 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000594992221 459208707 /nfs/dbraw/zinc/20/87/07/459208707.db2.gz DFYOXWFSZOTDFG-FCONWMNKSA-N 1 0 345.443 3.235 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCCn1nc(C)cc1C ZINC000595005102 459212581 /nfs/dbraw/zinc/21/25/81/459212581.db2.gz XRGHHFKTZGDMPI-AWEZNQCLSA-N 1 0 332.404 3.158 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H](C)Cc1c(C)noc1C ZINC000595007055 459213119 /nfs/dbraw/zinc/21/31/19/459213119.db2.gz FJTIHYBBNOCVSU-WDEREUQCSA-N 1 0 333.388 3.490 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H](CCO)c1ccccc1 ZINC000595024034 459219448 /nfs/dbraw/zinc/21/94/48/459219448.db2.gz DXCJWRYUFBAELQ-ZBFHGGJFSA-N 1 0 344.411 3.420 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H](CCO)c1ccccc1 ZINC000595029316 459222236 /nfs/dbraw/zinc/22/22/36/459222236.db2.gz WOIWXBWEJUFCMO-CXAGYDPISA-N 1 0 330.384 3.378 20 5 EGBDRO COc1cccc(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1C ZINC000595102288 459245848 /nfs/dbraw/zinc/24/58/48/459245848.db2.gz DXUGEJZUKYMGOP-CVEARBPZSA-N 1 0 344.415 3.382 20 5 EGBDRO Cc1ccccc1C(C)(C)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000559326168 459251600 /nfs/dbraw/zinc/25/16/00/459251600.db2.gz HSPBNVNQRMXZDZ-MRXNPFEDSA-N 1 0 344.411 3.168 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC(C)(C)[C@H]2CCC[C@@H]21 ZINC000559426576 459258647 /nfs/dbraw/zinc/25/86/47/459258647.db2.gz HCBCTSMEECUDSH-ZFWWWQNUSA-N 1 0 347.415 3.052 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000595230305 459259467 /nfs/dbraw/zinc/25/94/67/459259467.db2.gz PJEUKWIPTXGNKE-OAHLLOKOSA-N 1 0 346.431 3.147 20 5 EGBDRO CC(C)CNC(=O)CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000595294719 459269312 /nfs/dbraw/zinc/26/93/12/459269312.db2.gz CKZOURUJIJMGKG-UHFFFAOYSA-N 1 0 335.448 3.358 20 5 EGBDRO CC[C@H](C)[N@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000582031426 459293815 /nfs/dbraw/zinc/29/38/15/459293815.db2.gz IZPZCQWSKJVBOY-VIFPVBQESA-N 1 0 348.184 3.430 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cnc2n1CCCC2 ZINC000560092297 459300472 /nfs/dbraw/zinc/30/04/72/459300472.db2.gz NNBJIXGFUYBTSM-NTEUORMPSA-N 1 0 326.400 3.321 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](C2CCC2)C1 ZINC000591061824 459303345 /nfs/dbraw/zinc/30/33/45/459303345.db2.gz JYXDIMVTXABXOF-OAHLLOKOSA-N 1 0 331.416 3.354 20 5 EGBDRO O=[N+]([O-])c1cc(F)ccc1C[NH+]1CCC(CO)(c2ccccc2)CC1 ZINC000595502460 459326271 /nfs/dbraw/zinc/32/62/71/459326271.db2.gz MGITWZHDEPNYKM-UHFFFAOYSA-N 1 0 344.386 3.260 20 5 EGBDRO C[C@@H]1CC[N@H+](CCN[C@@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)C1 ZINC000582246047 459334246 /nfs/dbraw/zinc/33/42/46/459334246.db2.gz JNTVFVIDLYLZKA-RISCZKNCSA-N 1 0 331.338 3.130 20 5 EGBDRO C[N@@H+]1CC[C@H](C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000560381319 459335448 /nfs/dbraw/zinc/33/54/48/459335448.db2.gz LIFJWVJESNMCIW-ZDUSSCGKSA-N 1 0 341.367 3.277 20 5 EGBDRO O=[N+]([O-])c1ccccc1OCCN1CCC[C@H](OCC(F)(F)F)C1 ZINC000524252055 459353287 /nfs/dbraw/zinc/35/32/87/459353287.db2.gz YYZRQZLDSRDUPM-LBPRGKRZSA-N 1 0 348.321 3.017 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@@H](CO)Cc1ccco1)CCCC2 ZINC000591347993 459358394 /nfs/dbraw/zinc/35/83/94/459358394.db2.gz PLWVAHHXMBTJNX-LIRRHRJNSA-N 1 0 344.411 3.396 20 5 EGBDRO CC[N@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@H]1COc2ccccc2O1 ZINC000524424161 459362506 /nfs/dbraw/zinc/36/25/06/459362506.db2.gz YDWVCSRJGVPRGW-KRWDZBQOSA-N 1 0 342.395 3.299 20 5 EGBDRO Cc1cc(N2CC[C@H]3CC[NH2+][C@H]3C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000591439024 459380327 /nfs/dbraw/zinc/38/03/27/459380327.db2.gz QLEVQBSNZZCDEU-PWSUYJOCSA-N 1 0 329.322 3.110 20 5 EGBDRO CN(CC[N@H+](C)C1CCCCC1)c1ncnc2sc([N+](=O)[O-])cc21 ZINC000561140893 459423468 /nfs/dbraw/zinc/42/34/68/459423468.db2.gz JPCRQKMRENDCAI-UHFFFAOYSA-N 1 0 349.460 3.300 20 5 EGBDRO C[C@@H](C(=O)N1CCC[N@@H+](C(C)(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000582819718 459431727 /nfs/dbraw/zinc/43/17/27/459431727.db2.gz JPGMTTRLRWGWDC-CQSZACIVSA-N 1 0 333.432 3.031 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000595792324 459444356 /nfs/dbraw/zinc/44/43/56/459444356.db2.gz ZNKFZYKCJNCVJK-KDOFPFPSSA-N 1 0 334.416 3.385 20 5 EGBDRO CC(C)CC[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000541350658 459448184 /nfs/dbraw/zinc/44/81/84/459448184.db2.gz NCFJPWBTBPSYMS-JKSUJKDBSA-N 1 0 336.432 3.235 20 5 EGBDRO CC(C)CC[C@H]1CCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000541350649 459448198 /nfs/dbraw/zinc/44/81/98/459448198.db2.gz NCFJPWBTBPSYMS-CVEARBPZSA-N 1 0 336.432 3.235 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C(C)(C)C)C1 ZINC000541386644 459451528 /nfs/dbraw/zinc/45/15/28/459451528.db2.gz GCIGNVLRGAEPBJ-QWHCGFSZSA-N 1 0 349.431 3.298 20 5 EGBDRO CCC[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000525410331 459454482 /nfs/dbraw/zinc/45/44/82/459454482.db2.gz CSQLSSYXRUTMRH-OLMNPRSZSA-N 1 0 348.443 3.499 20 5 EGBDRO COC(=O)CC1([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCCCC1 ZINC000541772991 459491143 /nfs/dbraw/zinc/49/11/43/459491143.db2.gz LZNRZNBRISSLBC-VQHVLOKHSA-N 1 0 332.400 3.464 20 5 EGBDRO O=[N+]([O-])c1ccc(CNC[C@H]2CCC[N@H+](CC3CC3)C2)c(Cl)c1 ZINC000596058116 459504252 /nfs/dbraw/zinc/50/42/52/459504252.db2.gz CULRNOHZFGEEQU-CQSZACIVSA-N 1 0 337.851 3.460 20 5 EGBDRO O=c1[nH]ccc(NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000596091809 459517905 /nfs/dbraw/zinc/51/79/05/459517905.db2.gz DDYXFYYRVZEUDS-OAHLLOKOSA-N 1 0 342.399 3.020 20 5 EGBDRO CCC[C@@H](C)[C@@H]1CCC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000486789483 459519946 /nfs/dbraw/zinc/51/99/46/459519946.db2.gz SPYYRWFNWBEWRO-PBHICJAKSA-N 1 0 333.432 3.458 20 5 EGBDRO C[C@]1(Cc2ccccc2F)CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000592143502 459536017 /nfs/dbraw/zinc/53/60/17/459536017.db2.gz GCTWIKXESXNHBT-QGZVFWFLSA-N 1 0 332.379 3.028 20 5 EGBDRO C[NH+](C)[C@H](CNc1cc[nH]c(=O)c1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000596154206 459540199 /nfs/dbraw/zinc/54/01/99/459540199.db2.gz YWTYZDXCLVZKBM-CYBMUJFWSA-N 1 0 336.779 3.064 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](C(C)(C)C)C1 ZINC000542320093 459547469 /nfs/dbraw/zinc/54/74/69/459547469.db2.gz PPAQMPIBVKKWJG-CYBMUJFWSA-N 1 0 349.431 3.300 20 5 EGBDRO C[C@@H](C(=O)NCCC[N@@H+]1CCCC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000562385641 459551977 /nfs/dbraw/zinc/55/19/77/459551977.db2.gz ZDAGKFMBWWQRKZ-LSDHHAIUSA-N 1 0 333.432 3.079 20 5 EGBDRO CSc1ccc([C@H](CNc2cc[nH]c(=O)c2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000596247699 459573963 /nfs/dbraw/zinc/57/39/63/459573963.db2.gz KZJGPXHELARTAV-AWEZNQCLSA-N 1 0 348.428 3.132 20 5 EGBDRO O=[N+]([O-])c1cccc(F)c1N1CCC([NH2+]Cc2ccccc2)CC1 ZINC000596252568 459575904 /nfs/dbraw/zinc/57/59/04/459575904.db2.gz MXQWVFAGIPKGHB-UHFFFAOYSA-N 1 0 329.375 3.493 20 5 EGBDRO CC[C@H]([NH3+])CNC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000592340061 459576288 /nfs/dbraw/zinc/57/62/88/459576288.db2.gz ZJNFLPGVXQRKIX-NSHDSACASA-N 1 0 337.445 3.097 20 5 EGBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(CO)cc2)cc1[N+](=O)[O-] ZINC000592393187 459589559 /nfs/dbraw/zinc/58/95/59/459589559.db2.gz SNYJCJZZEUEIPC-CYBMUJFWSA-N 1 0 330.384 3.337 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]Cc1ccc(CO)cc1)C1CC1 ZINC000592393169 459589593 /nfs/dbraw/zinc/58/95/93/459589593.db2.gz QKTRFYMTIWMPRX-GOSISDBHSA-N 1 0 326.396 3.198 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1C[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC000542980399 459615714 /nfs/dbraw/zinc/61/57/14/459615714.db2.gz RRZLVRGCCDGCJD-KKUMJFAQSA-N 1 0 331.416 3.352 20 5 EGBDRO C[C@H](NC(=O)CC[N@H+](C)C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000573072757 459620858 /nfs/dbraw/zinc/62/08/58/459620858.db2.gz AZYDJXFQVHVVIA-AWEZNQCLSA-N 1 0 333.432 3.427 20 5 EGBDRO C[C@H]1CC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1(C)C ZINC000573292894 459654430 /nfs/dbraw/zinc/65/44/30/459654430.db2.gz UBIGLPGXTSTVQB-ZDUSSCGKSA-N 1 0 347.415 3.261 20 5 EGBDRO COc1cc(C[NH2+]C2(C3CC3)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000543453772 459659146 /nfs/dbraw/zinc/65/91/46/459659146.db2.gz DMGNTUMHBZFQOY-UHFFFAOYSA-N 1 0 342.342 3.280 20 5 EGBDRO C[C@H](O)[C@H]1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000543748178 459694906 /nfs/dbraw/zinc/69/49/06/459694906.db2.gz JZXHIGOZZDZTJG-ZFWWWQNUSA-N 1 0 330.384 3.448 20 5 EGBDRO O=[N+]([O-])c1ccc(CO)c(-c2ccccc2C[C@@H]2CCCC[NH2+]2)c1 ZINC000596634007 459706364 /nfs/dbraw/zinc/70/63/64/459706364.db2.gz CHKXJNIJPPJQPU-INIZCTEOSA-N 1 0 326.396 3.439 20 5 EGBDRO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](C(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000544190081 459737464 /nfs/dbraw/zinc/73/74/64/459737464.db2.gz FPWXUBIPYAFBJB-CHWSQXEVSA-N 1 0 349.431 3.298 20 5 EGBDRO CCC[C@H]1CN([C@@H](C)c2ccccc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000501802207 459745399 /nfs/dbraw/zinc/74/53/99/459745399.db2.gz DWXHUZCBSJVVNE-HOTGVXAUSA-N 1 0 335.448 3.089 20 5 EGBDRO C[C@@H]1CN(C(C)(C)C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C[C@H](C)O1 ZINC000574054063 459774203 /nfs/dbraw/zinc/77/42/03/459774203.db2.gz SIRSZKADACEKKI-JKIFEVAISA-N 1 0 347.459 3.060 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC000585718689 459836833 /nfs/dbraw/zinc/83/68/33/459836833.db2.gz SYODIWYHFWZRAZ-IRXDYDNUSA-N 1 0 347.459 3.151 20 5 EGBDRO Cc1ccc([C@@H](C)NC(=O)N(C)CC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000593374232 459871044 /nfs/dbraw/zinc/87/10/44/459871044.db2.gz XNNWZXYKDJFRMN-OAHLLOKOSA-N 1 0 348.447 3.092 20 5 EGBDRO CC[N@@H+]1CC[C@@H](N(C)c2ccc([N+](=O)[O-])c(OC(C)C)n2)C[C@H]1C ZINC000574926368 459896830 /nfs/dbraw/zinc/89/68/30/459896830.db2.gz AQGGFBZAISBWPL-ZIAGYGMSSA-N 1 0 336.436 3.086 20 5 EGBDRO O=[N+]([O-])c1sc(C[N@@H+](CCO)C2CCCC2)cc1Br ZINC000602427110 459933245 /nfs/dbraw/zinc/93/32/45/459933245.db2.gz AZWFCDPGVZXXNS-UHFFFAOYSA-N 1 0 349.250 3.156 20 5 EGBDRO COc1ccc(C2([NH2+]Cc3ccc([N+](=O)[O-])cc3)CCOCC2)cc1 ZINC000609358306 459950272 /nfs/dbraw/zinc/95/02/72/459950272.db2.gz YSXIOORXLCCFHV-UHFFFAOYSA-N 1 0 342.395 3.399 20 5 EGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@H+]1CCC[C@@H](CCO)C1 ZINC000602462904 459951551 /nfs/dbraw/zinc/95/15/51/459951551.db2.gz DVQPBMYATQIBHD-NSHDSACASA-N 1 0 332.322 3.208 20 5 EGBDRO O=[N+]([O-])c1cc(Br)ccc1N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000609384419 459954989 /nfs/dbraw/zinc/95/49/89/459954989.db2.gz TVXJGKIOUVWQHE-GFCCVEGCSA-N 1 0 340.221 3.254 20 5 EGBDRO CO[C@@](C)(C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC000602477004 459958027 /nfs/dbraw/zinc/95/80/27/459958027.db2.gz PESDQKIZUUBBLX-SFHVURJKSA-N 1 0 334.416 3.253 20 5 EGBDRO C[C@@H](CCc1ccco1)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602505128 459973411 /nfs/dbraw/zinc/97/34/11/459973411.db2.gz SOXJKJVNHAZPNI-AWEZNQCLSA-N 1 0 344.415 3.163 20 5 EGBDRO Cc1cccc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1 ZINC000602508674 459974894 /nfs/dbraw/zinc/97/48/94/459974894.db2.gz VRXGLFSWFLVYQL-UHFFFAOYSA-N 1 0 326.400 3.057 20 5 EGBDRO C[C@@H]1CCCC[C@@H]1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602521244 459981336 /nfs/dbraw/zinc/98/13/36/459981336.db2.gz LKZGTYJSSLHHMB-HUUCEWRRSA-N 1 0 332.448 3.375 20 5 EGBDRO CC(C)(C)[N@@H+]1CCCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000609560660 459982480 /nfs/dbraw/zinc/98/24/80/459982480.db2.gz FWBWWHVLPPJONM-UHFFFAOYSA-N 1 0 328.416 3.454 20 5 EGBDRO COc1cccc(N2CC[C@H]([NH2+]CCc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000602531804 459985237 /nfs/dbraw/zinc/98/52/37/459985237.db2.gz KQJGUFBWXSAUFB-INIZCTEOSA-N 1 0 341.411 3.014 20 5 EGBDRO CC(C)Oc1ccc([C@H](CNc2cccnc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000588845796 459990153 /nfs/dbraw/zinc/99/01/53/459990153.db2.gz QSJKYFCRAZKWMG-KRWDZBQOSA-N 1 0 344.415 3.492 20 5 EGBDRO CSCCC[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602554434 459995510 /nfs/dbraw/zinc/99/55/10/459995510.db2.gz YNXSDUZRFFYQSE-UHFFFAOYSA-N 1 0 325.253 3.262 20 5 EGBDRO C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CC[NH+](C)CC1 ZINC000609677666 460007275 /nfs/dbraw/zinc/00/72/75/460007275.db2.gz BEVKAMUZENBNRV-SNVBAGLBSA-N 1 0 340.811 3.100 20 5 EGBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H](CO)c2ccc(Cl)cc2)cs1 ZINC000588928733 460007722 /nfs/dbraw/zinc/00/77/22/460007722.db2.gz NYKFPCOULWIJNR-LBPRGKRZSA-N 1 0 326.805 3.175 20 5 EGBDRO CC(C)(C[C@H]1CCC[N@@H+]([C@@H]2CCc3c2cccc3[N+](=O)[O-])C1)C(N)=O ZINC000575880991 460026013 /nfs/dbraw/zinc/02/60/13/460026013.db2.gz CROPYKZBHMHTGI-CZUORRHYSA-N 1 0 345.443 3.196 20 5 EGBDRO CC[NH+](CC)[C@@H](CNc1ncnc2ccc([N+](=O)[O-])cc21)CC(C)C ZINC000609849446 460028932 /nfs/dbraw/zinc/02/89/32/460028932.db2.gz FDNDJSRDSOYWGC-OAHLLOKOSA-N 1 0 345.447 3.128 20 5 EGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+][C@H]1CCC[C@@H]1CCO ZINC000602625940 460029266 /nfs/dbraw/zinc/02/92/66/460029266.db2.gz VSWLNSNGJXQWPB-MFKMUULPSA-N 1 0 332.322 3.254 20 5 EGBDRO C[NH+](C)CC[C@@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C(C)(C)C ZINC000609861086 460029737 /nfs/dbraw/zinc/02/97/37/460029737.db2.gz MFYMQUUOZVPOEV-CQSZACIVSA-N 1 0 341.839 3.344 20 5 EGBDRO CC(C)C(C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C(C)C ZINC000602628621 460031184 /nfs/dbraw/zinc/03/11/84/460031184.db2.gz CKPHMZJBPSKKQE-UHFFFAOYSA-N 1 0 334.464 3.476 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000597710112 460034650 /nfs/dbraw/zinc/03/46/50/460034650.db2.gz HAISDBBBHKSTHD-IBGZPJMESA-N 1 0 345.443 3.078 20 5 EGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]CCCOC(F)F ZINC000602659970 460049041 /nfs/dbraw/zinc/04/90/41/460049041.db2.gz ZHBAWCPGYXLROL-UHFFFAOYSA-N 1 0 328.237 3.333 20 5 EGBDRO C[C@H](CCCCO)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602681972 460063263 /nfs/dbraw/zinc/06/32/63/460063263.db2.gz YLMNFNJUJFJJOL-MRVPVSSYSA-N 1 0 337.239 3.060 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H](CO)C3CC3)s2)cc1 ZINC000589326784 460074642 /nfs/dbraw/zinc/07/46/42/460074642.db2.gz GZAGBXASBRYBGU-CQSZACIVSA-N 1 0 332.425 3.431 20 5 EGBDRO COC(=O)c1ccc([N+](=O)[O-])c(CNc2cccc(C[NH+](C)C)c2)c1 ZINC000589504251 460096985 /nfs/dbraw/zinc/09/69/85/460096985.db2.gz LVFSNNAUNQLUOP-UHFFFAOYSA-N 1 0 343.383 3.055 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@@H](c3noc(C4CC4)n3)C2)cc1 ZINC000610248229 460098114 /nfs/dbraw/zinc/09/81/14/460098114.db2.gz YAHRRBQJOOKVDC-OAHLLOKOSA-N 1 0 342.399 3.277 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CCCN1CC(F)F ZINC000598988342 460118532 /nfs/dbraw/zinc/11/85/32/460118532.db2.gz PBCFYPHNDXETCH-LPDYGMJQSA-N 1 0 339.386 3.317 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](c1ccc(F)cc1)C1CCC1 ZINC000602793062 460128124 /nfs/dbraw/zinc/12/81/24/460128124.db2.gz VEYKWHMSKANQIY-QGZVFWFLSA-N 1 0 332.379 3.370 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](C)c1cccc(OC(F)F)c1 ZINC000602801323 460132466 /nfs/dbraw/zinc/13/24/66/460132466.db2.gz NPQLVAHHEXBOST-SNVBAGLBSA-N 1 0 340.330 3.052 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](Cc1ccc(F)cc1)C(C)C ZINC000602802271 460135000 /nfs/dbraw/zinc/13/50/00/460135000.db2.gz PVXNBXDCONWUHJ-INIZCTEOSA-N 1 0 334.395 3.096 20 5 EGBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@@H](C)[NH+](C)C ZINC000597991321 460139685 /nfs/dbraw/zinc/13/96/85/460139685.db2.gz DLJLXFLRAWBXBR-GFCCVEGCSA-N 1 0 339.461 3.165 20 5 EGBDRO CC(C)(C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccccc1[N+](=O)[O-] ZINC000594196747 460143286 /nfs/dbraw/zinc/14/32/86/460143286.db2.gz MECMSRBZQXDRRI-RDJZCZTQSA-N 1 0 345.443 3.006 20 5 EGBDRO O=C(N[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000594199305 460147373 /nfs/dbraw/zinc/14/73/73/460147373.db2.gz JKPJJDILEPNAPI-LSDHHAIUSA-N 1 0 343.383 3.088 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3cc4ccccc4[nH]3)C2)nc1 ZINC000619073162 460262284 /nfs/dbraw/zinc/26/22/84/460262284.db2.gz IZEDCERKJUAYNB-AWEZNQCLSA-N 1 0 337.383 3.158 20 5 EGBDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000610929535 460262598 /nfs/dbraw/zinc/26/25/98/460262598.db2.gz SVMRWUGXRJFEBW-OAHLLOKOSA-N 1 0 346.818 3.354 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC(F)(F)C[C@H]1C ZINC000599621851 460290061 /nfs/dbraw/zinc/29/00/61/460290061.db2.gz IDYDOXIGGXFYJF-GFCCVEGCSA-N 1 0 341.358 3.351 20 5 EGBDRO CN(C(=O)C[N@@H+]1CCCC12CCCCC2)c1ccc([N+](=O)[O-])cc1 ZINC000611153864 460297796 /nfs/dbraw/zinc/29/77/96/460297796.db2.gz CXKFJNMLPOTXPC-UHFFFAOYSA-N 1 0 331.416 3.356 20 5 EGBDRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)c3ncccc3[N+](=O)[O-])C2)s1 ZINC000603404334 460298531 /nfs/dbraw/zinc/29/85/31/460298531.db2.gz ZDYNAFOVRFJRBA-AWEZNQCLSA-N 1 0 346.456 3.318 20 5 EGBDRO COCC[N@H+](C)CCCC1CCN(c2ccc([N+](=O)[O-])s2)CC1 ZINC000611227995 460311912 /nfs/dbraw/zinc/31/19/12/460311912.db2.gz WIRBZBVWTHKGPU-UHFFFAOYSA-N 1 0 341.477 3.231 20 5 EGBDRO C[C@@H](Nc1ccc([N+](=O)[O-])c(OC(F)F)c1)C1CC[NH+](C)CC1 ZINC000611297413 460331655 /nfs/dbraw/zinc/33/16/55/460331655.db2.gz SNOMNSLTARFYJM-SNVBAGLBSA-N 1 0 329.347 3.338 20 5 EGBDRO CC[N@H+](CCC1CCN(c2cccnc2[N+](=O)[O-])CC1)CC1CC1 ZINC000611298783 460332153 /nfs/dbraw/zinc/33/21/53/460332153.db2.gz TZKJSJGUGNZIGO-UHFFFAOYSA-N 1 0 332.448 3.328 20 5 EGBDRO O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccccc1Nc1cc[nH+]cc1 ZINC000619581856 460390511 /nfs/dbraw/zinc/39/05/11/460390511.db2.gz SIEWJRLIIVWLQV-UHFFFAOYSA-N 1 0 348.362 3.337 20 5 EGBDRO CC(C)[N@H+](C)CC1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000611702469 460432805 /nfs/dbraw/zinc/43/28/05/460432805.db2.gz UDNRXIZXGZMGQE-UHFFFAOYSA-N 1 0 343.431 3.095 20 5 EGBDRO C[NH+](C)CCc1ccc(Nc2ncnc3ccc([N+](=O)[O-])cc32)cc1 ZINC000611707500 460433700 /nfs/dbraw/zinc/43/37/00/460433700.db2.gz RYNQUMKYORCICH-UHFFFAOYSA-N 1 0 337.383 3.386 20 5 EGBDRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccsc2)c([N+](=O)[O-])c1 ZINC000619783630 460443841 /nfs/dbraw/zinc/44/38/41/460443841.db2.gz VUZBHCAUSLWWSI-WDEREUQCSA-N 1 0 349.412 3.343 20 5 EGBDRO C[N@@H+]1CCC[C@@]2(CCN(c3ccnc4ccc([N+](=O)[O-])cc43)C2)C1 ZINC000601169678 460739965 /nfs/dbraw/zinc/73/99/65/460739965.db2.gz PCIZDFPQFRFIGZ-GOSISDBHSA-N 1 0 326.400 3.065 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000613295100 460900104 /nfs/dbraw/zinc/90/01/04/460900104.db2.gz BNYMYUCSFHUXHC-AWEZNQCLSA-N 1 0 334.420 3.206 20 5 EGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCn1ccc(C(F)(F)F)n1 ZINC000601963740 460963478 /nfs/dbraw/zinc/96/34/78/460963478.db2.gz MBFBRTJUTAGCRQ-GFCCVEGCSA-N 1 0 340.305 3.087 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CCn1ccc(C(F)(F)F)n1 ZINC000602016830 460990957 /nfs/dbraw/zinc/99/09/57/460990957.db2.gz HYMLAHIVLQLSNT-HYXAFXHYSA-N 1 0 340.305 3.113 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CCn1ccc(C(F)(F)F)n1 ZINC000602016828 460990993 /nfs/dbraw/zinc/99/09/93/460990993.db2.gz HYMLAHIVLQLSNT-HWKANZROSA-N 1 0 340.305 3.113 20 5 EGBDRO C[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H](C)c1ccccc1 ZINC000178205965 533828702 /nfs/dbraw/zinc/82/87/02/533828702.db2.gz UKGKIKNEBJSRRH-KGLIPLIRSA-N 1 0 327.384 3.315 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCC[NH+]1CCC(C)CC1 ZINC000191330035 534054980 /nfs/dbraw/zinc/05/49/80/534054980.db2.gz JFGAEPLQCKYZME-UHFFFAOYSA-N 1 0 334.420 3.065 20 5 EGBDRO C[C@@H](CO[C@H]1CCOC1)[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000130463438 534168163 /nfs/dbraw/zinc/16/81/63/534168163.db2.gz BXSLTZGICOQMJQ-CIRFHOKZSA-N 1 0 348.443 3.090 20 5 EGBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)[C@@H]1SC ZINC000297644011 517716528 /nfs/dbraw/zinc/71/65/28/517716528.db2.gz MWOQSCMZOWTASS-MJBXVCDLSA-N 1 0 330.837 3.247 20 5 EGBDRO Cc1nc(C)c(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)s1 ZINC000331608228 518192505 /nfs/dbraw/zinc/19/25/05/518192505.db2.gz MBTBQRCOEMELAN-CHWSQXEVSA-N 1 0 335.433 3.138 20 5 EGBDRO CCC[NH+]1CCC(N(C)Cc2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC000184229855 528195659 /nfs/dbraw/zinc/19/56/59/528195659.db2.gz HMZYNMVTLQRTKI-UHFFFAOYSA-N 1 0 339.411 3.049 20 5 EGBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000174466229 528253695 /nfs/dbraw/zinc/25/36/95/528253695.db2.gz SARNNOCGUSSKAJ-GFCCVEGCSA-N 1 0 340.811 3.196 20 5 EGBDRO CC(C)[N@H+](CC(N)=O)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000179657146 528870743 /nfs/dbraw/zinc/87/07/43/528870743.db2.gz LUWULBRNSDNJPA-UHFFFAOYSA-N 1 0 333.413 3.019 20 5 EGBDRO CCC[C@@H]([NH2+]C1CCN(CCOC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000154856160 529003404 /nfs/dbraw/zinc/00/34/04/529003404.db2.gz VPLYAYWVNSKDPL-GOSISDBHSA-N 1 0 335.448 3.136 20 5 EGBDRO CC(C)[NH+]1CCC(N(C)C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000351542279 535151359 /nfs/dbraw/zinc/15/13/59/535151359.db2.gz QVOXKUHSJNBPIA-UHFFFAOYSA-N 1 0 347.459 3.204 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=S)NCC(C)(C)C[NH+](C)C ZINC000727064572 574639282 /nfs/dbraw/zinc/63/92/82/574639282.db2.gz JDOVZSVPWGEDFO-UHFFFAOYSA-N 1 0 338.477 3.086 20 5 EGBDRO CC[C@H](C(=O)OCc1ccc(Cl)c([N+](=O)[O-])c1)[NH+](CC)CC ZINC000741931235 576734924 /nfs/dbraw/zinc/73/49/24/576734924.db2.gz CQUNSLGEPTZPCH-CYBMUJFWSA-N 1 0 328.796 3.412 20 5 EGBDRO COc1ccc(OCC[N@H+](C)CCc2ccccc2F)c([N+](=O)[O-])c1 ZINC000743848723 576816795 /nfs/dbraw/zinc/81/67/95/576816795.db2.gz BKIUQSHZUBJYAE-UHFFFAOYSA-N 1 0 348.374 3.296 20 5 EGBDRO C[C@H]1CSCC[N@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000792719673 1309214754 /nfs/dbraw/zinc/21/47/54/1309214754.db2.gz IHBNSBUGVOJCJR-CYBMUJFWSA-N 1 0 332.429 3.101 20 5 EGBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cccnc1Cl ZINC000056197003 1291807909 /nfs/dbraw/zinc/80/79/09/1291807909.db2.gz AVHQCUINPKPENI-WDEREUQCSA-N 1 0 348.790 3.321 20 5 EGBDRO C[C@@H](CNC(=O)OC(C)(C)C)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000090714567 1292806262 /nfs/dbraw/zinc/80/62/62/1292806262.db2.gz BCPQJFUISIDHOA-OLZOCXBDSA-N 1 0 337.420 3.406 20 5 EGBDRO C[C@@H](CNC(=O)OC(C)(C)C)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000090715564 1292806605 /nfs/dbraw/zinc/80/66/05/1292806605.db2.gz QAMILMXHWOTHOI-OLZOCXBDSA-N 1 0 337.420 3.406 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCCc3ccccc3CC2)c1 ZINC000831920353 1292936587 /nfs/dbraw/zinc/93/65/87/1292936587.db2.gz GPQJRFCAJXJRQN-LJQANCHMSA-N 1 0 326.396 3.119 20 5 EGBDRO C[C@@H](CCCc1cccnc1)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000834570086 1293118505 /nfs/dbraw/zinc/11/85/05/1293118505.db2.gz CQKDUXKZDLBKAE-KBXCAEBGSA-N 1 0 329.400 3.024 20 5 EGBDRO C[C@H]1SCCN(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)[C@H]1C ZINC000118381601 1293235106 /nfs/dbraw/zinc/23/51/06/1293235106.db2.gz KNAKORKBMLTCQN-QWHCGFSZSA-N 1 0 332.429 3.242 20 5 EGBDRO C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000120075575 1293302075 /nfs/dbraw/zinc/30/20/75/1293302075.db2.gz HWUPKBMFDMTEBX-CYBMUJFWSA-N 1 0 328.368 3.434 20 5 EGBDRO CCC[C@H]([NH2+]CCc1nnc2ccccn21)c1cccc([N+](=O)[O-])c1 ZINC000120400528 1293319728 /nfs/dbraw/zinc/31/97/28/1293319728.db2.gz CJAMQENJLVIBKL-INIZCTEOSA-N 1 0 339.399 3.311 20 5 EGBDRO CO[C@@H]1CCCC[C@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000123226132 1293437818 /nfs/dbraw/zinc/43/78/18/1293437818.db2.gz RWKLBEHOZMRKJJ-QZTJIDSGSA-N 1 0 333.432 3.111 20 5 EGBDRO O=C(CC[N@H+]1C[C@@H]2CCCC[C@@H]2C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000128850618 1293606510 /nfs/dbraw/zinc/60/65/10/1293606510.db2.gz HBMZGGRUILDVMX-BETUJISGSA-N 1 0 335.379 3.185 20 5 EGBDRO CCO[C@H]1CCCN(Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000129279435 1293619026 /nfs/dbraw/zinc/61/90/26/1293619026.db2.gz BAFLFZLMKYGNNJ-LBPRGKRZSA-N 1 0 343.221 3.358 20 5 EGBDRO CC[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(OC)cc1 ZINC000136820154 1293821899 /nfs/dbraw/zinc/82/18/99/1293821899.db2.gz LCKVUAZZXIMXLY-ZWKOTPCHSA-N 1 0 330.384 3.378 20 5 EGBDRO CC(C)CC[N@H+](Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1)C1CC1 ZINC000172894372 1294448138 /nfs/dbraw/zinc/44/81/38/1294448138.db2.gz YDBPRJXPZBOCII-UHFFFAOYSA-N 1 0 329.404 3.321 20 5 EGBDRO CCC[C@@H]1CC(=O)N(CN(Cc2ccc([N+](=O)[O-])cc2)C(C)C)C1 ZINC000173320379 1294459721 /nfs/dbraw/zinc/45/97/21/1294459721.db2.gz NBBLYMYOJKDFKK-MRXNPFEDSA-N 1 0 333.432 3.411 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)ccc1-c1nc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)no1 ZINC000871792836 1296534634 /nfs/dbraw/zinc/53/46/34/1296534634.db2.gz OIBXWGXAVSRLHW-UQPYNNQESA-N 1 0 334.763 3.296 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCc1nc(C)no1 ZINC000872046630 1296697437 /nfs/dbraw/zinc/69/74/37/1296697437.db2.gz JXQASECOEHIMQG-JTQLQIEISA-N 1 0 336.417 3.292 20 5 EGBDRO O=[N+]([O-])c1c(Br)cccc1N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000312617373 1297118559 /nfs/dbraw/zinc/11/85/59/1297118559.db2.gz GKCYRTLFASNODL-YPMHNXCESA-N 1 0 340.221 3.396 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000873008168 1297219215 /nfs/dbraw/zinc/21/92/15/1297219215.db2.gz OQNBMBVDBLAGRQ-UHFFFAOYSA-N 1 0 328.368 3.273 20 5 EGBDRO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000400390172 1297729760 /nfs/dbraw/zinc/72/97/60/1297729760.db2.gz ZQWDEOOCTMWQPL-UKRRQHHQSA-N 1 0 349.431 3.472 20 5 EGBDRO C[C@H](CN(C)C(=O)OC(C)(C)C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000701899220 1298191112 /nfs/dbraw/zinc/19/11/12/1298191112.db2.gz PNSLMVFHQPFPSW-SNVBAGLBSA-N 1 0 329.422 3.001 20 5 EGBDRO C[N@H+](CC1CC1)C[C@H]1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000746669374 1298637792 /nfs/dbraw/zinc/63/77/92/1298637792.db2.gz UMVDCBZCAUGMJM-CQSZACIVSA-N 1 0 337.851 3.412 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000876778863 1298979424 /nfs/dbraw/zinc/97/94/24/1298979424.db2.gz PWQQQNXGYPFKGT-HNNXBMFYSA-N 1 0 346.349 3.347 20 5 EGBDRO CC(C)(O)C[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C1CCOCC1 ZINC000750046671 1299329421 /nfs/dbraw/zinc/32/94/21/1299329421.db2.gz AIUBFWKRFKDQOS-UHFFFAOYSA-N 1 0 342.823 3.000 20 5 EGBDRO CCC1(CC)[C@H](OC)C[C@@H]1[N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750114305 1299338551 /nfs/dbraw/zinc/33/85/51/1299338551.db2.gz JBTAWRCYDGOXBT-IXDOHACOSA-N 1 0 336.432 3.154 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1CN(CC[NH+](C)C)Cc1ccccn1 ZINC000877525664 1299368347 /nfs/dbraw/zinc/36/83/47/1299368347.db2.gz KRLKKCNHLCHXNQ-UHFFFAOYSA-N 1 0 342.443 3.170 20 5 EGBDRO CCOC(=O)C1CCC([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000877717936 1299503175 /nfs/dbraw/zinc/50/31/75/1299503175.db2.gz UFVAEBVCZHYVHZ-UHFFFAOYSA-N 1 0 340.807 3.460 20 5 EGBDRO CS[C@@H]1CCCC[N@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000878285752 1299891671 /nfs/dbraw/zinc/89/16/71/1299891671.db2.gz BPCMGZZYYOKAHB-GFCCVEGCSA-N 1 0 348.428 3.362 20 5 EGBDRO CCOc1cc(C[NH2+][C@@H](CCO)c2cccs2)ccc1[N+](=O)[O-] ZINC000755049185 1300272321 /nfs/dbraw/zinc/27/23/21/1300272321.db2.gz TTWLVORADSNKOM-ZDUSSCGKSA-N 1 0 336.413 3.268 20 5 EGBDRO NC(=O)c1cc(C[NH2+]Cc2c3ccccc3cc3ccccc32)on1 ZINC000757907441 1300755561 /nfs/dbraw/zinc/75/55/61/1300755561.db2.gz UMYWHSLMKVOPNH-UHFFFAOYSA-N 1 0 331.375 3.370 20 5 EGBDRO CC[NH+](CC)[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2OC(F)F)C1 ZINC000760552843 1301295611 /nfs/dbraw/zinc/29/56/11/1301295611.db2.gz RXYIYUKDDDVRSX-GFCCVEGCSA-N 1 0 329.347 3.117 20 5 EGBDRO O=[N+]([O-])c1ccc(C[N@H+](CCO)CCc2ccccc2)cc1Cl ZINC000761510013 1301487664 /nfs/dbraw/zinc/48/76/64/1301487664.db2.gz AGHGJMOQTWXYIH-UHFFFAOYSA-N 1 0 334.803 3.285 20 5 EGBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)[N@@H+]1CCCC[C@@H]1C ZINC000764191165 1302027590 /nfs/dbraw/zinc/02/75/90/1302027590.db2.gz DZOGJTYTSARXFH-NWDGAFQWSA-N 1 0 339.823 3.241 20 5 EGBDRO Cc1c(C[NH2+]Cc2cccc(C3(C)OCCO3)c2)cccc1[N+](=O)[O-] ZINC000883128744 1302263269 /nfs/dbraw/zinc/26/32/69/1302263269.db2.gz TWBFHLWWOPISGP-UHFFFAOYSA-N 1 0 342.395 3.413 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@H]2CCCC23OCCO3)o1 ZINC000883179332 1302288733 /nfs/dbraw/zinc/28/87/33/1302288733.db2.gz URQGCEOYGLFUAE-QGZVFWFLSA-N 1 0 344.367 3.240 20 5 EGBDRO COc1ccc(CC[C@H](C)[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000765845621 1302338404 /nfs/dbraw/zinc/33/84/04/1302338404.db2.gz RHHCODKKFPZIJN-LIRRHRJNSA-N 1 0 344.411 3.248 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)c1C ZINC000884451691 1302863420 /nfs/dbraw/zinc/86/34/20/1302863420.db2.gz YAWBMAKJSRUCNJ-LSDHHAIUSA-N 1 0 325.368 3.279 20 5 EGBDRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1c1ccnc2ccc([N+](=O)[O-])cc21 ZINC000884853995 1303000494 /nfs/dbraw/zinc/00/04/94/1303000494.db2.gz YYOKCPNAKAPNTN-CQSZACIVSA-N 1 0 349.394 3.253 20 5 EGBDRO CC[NH+]1CCC(CNC(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000770007418 1303206221 /nfs/dbraw/zinc/20/62/21/1303206221.db2.gz GNTODLIDUPZWPU-UHFFFAOYSA-N 1 0 340.811 3.102 20 5 EGBDRO O=[N+]([O-])c1ncccc1C[N@H+]1CCCCC[C@H]1C[C@@H](O)c1ccco1 ZINC000886038790 1303330358 /nfs/dbraw/zinc/33/03/58/1303330358.db2.gz ATCSFISQLZQXCG-JKSUJKDBSA-N 1 0 345.399 3.451 20 5 EGBDRO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000886081797 1303350260 /nfs/dbraw/zinc/35/02/60/1303350260.db2.gz XYGIGBUNYWOZGM-DLBZAZTESA-N 1 0 345.374 3.217 20 5 EGBDRO O=[N+]([O-])c1ncccc1C[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000886111665 1303358366 /nfs/dbraw/zinc/35/83/66/1303358366.db2.gz GMCFSAPHDPVTAA-RHSMWYFYSA-N 1 0 327.384 3.247 20 5 EGBDRO O=[N+]([O-])c1ncccc1C[NH2+][C@@H](c1ccccc1)C1CCOCC1 ZINC000886111721 1303360086 /nfs/dbraw/zinc/36/00/86/1303360086.db2.gz HSCMXWSOBCYESL-KRWDZBQOSA-N 1 0 327.384 3.247 20 5 EGBDRO O=[N+]([O-])c1ncccc1CN1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC000886217492 1303397966 /nfs/dbraw/zinc/39/79/66/1303397966.db2.gz AOSODAVAULRHKX-OAHLLOKOSA-N 1 0 333.775 3.297 20 5 EGBDRO CC(C)[C@H](Cc1ccccc1)[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000886424012 1303461902 /nfs/dbraw/zinc/46/19/02/1303461902.db2.gz WMIISBJDRCWOKC-KRWDZBQOSA-N 1 0 341.411 3.051 20 5 EGBDRO CC(C)(C)SCC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000774239199 1303789462 /nfs/dbraw/zinc/78/94/62/1303789462.db2.gz KAVPUXMLUUTWAS-QWHCGFSZSA-N 1 0 326.466 3.396 20 5 EGBDRO COCC[N@H+](CC(C)C)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000774633874 1303837642 /nfs/dbraw/zinc/83/76/42/1303837642.db2.gz DWVOANJWMBMCRX-UHFFFAOYSA-N 1 0 340.811 3.160 20 5 EGBDRO Cn1ccnc1[C@@H]1CCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000775189185 1303922806 /nfs/dbraw/zinc/92/28/06/1303922806.db2.gz DPQOIGMTCLVYRL-HQQUCIOCSA-N 1 0 326.400 3.221 20 5 EGBDRO CC[C@@](C)([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000775390318 1303953833 /nfs/dbraw/zinc/95/38/33/1303953833.db2.gz LFYOTHUAVJDJMJ-LJQANCHMSA-N 1 0 341.411 3.473 20 5 EGBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N1CC[N@@H+](C)[C@@H](C)[C@H]1C ZINC000888284676 1304101000 /nfs/dbraw/zinc/10/10/00/1304101000.db2.gz HVWMTQUITNPPDP-WDEREUQCSA-N 1 0 340.811 3.113 20 5 EGBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N[C@H](C)CC[NH+](C)C ZINC000888286481 1304102058 /nfs/dbraw/zinc/10/20/58/1304102058.db2.gz LCFPELHNULKGOV-SNVBAGLBSA-N 1 0 328.800 3.018 20 5 EGBDRO CCC1(CC)[C@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)[C@@H]1OC ZINC000776154528 1304102350 /nfs/dbraw/zinc/10/23/50/1304102350.db2.gz ADQXJAAWWBJLPG-ZFVVBOAOSA-N 1 0 336.432 3.058 20 5 EGBDRO CC[N@@H+](Cc1ccc(OC)cc1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776277432 1304126700 /nfs/dbraw/zinc/12/67/00/1304126700.db2.gz PHHOKRPUEGSDIN-SFHVURJKSA-N 1 0 330.384 3.159 20 5 EGBDRO CC(C)c1ccc(OCC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000776278866 1304127551 /nfs/dbraw/zinc/12/75/51/1304127551.db2.gz WKJCTUNHZRKTDU-LJQANCHMSA-N 1 0 344.411 3.420 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+](CCc2cccc(F)c2)C2CC2)cc1 ZINC000776585070 1304175322 /nfs/dbraw/zinc/17/53/22/1304175322.db2.gz SAWRULKMKNVVSK-IBGZPJMESA-N 1 0 344.386 3.474 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+](CCc2ccc(F)cc2)C2CC2)cc1 ZINC000776583371 1304175431 /nfs/dbraw/zinc/17/54/31/1304175431.db2.gz DWOVXKVOCVQWOC-IBGZPJMESA-N 1 0 344.386 3.474 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH+]2CC(Cc3ccc(F)c(F)c3)C2)cc1 ZINC000776593339 1304177460 /nfs/dbraw/zinc/17/74/60/1304177460.db2.gz HULFVXYVMJQYMU-GOSISDBHSA-N 1 0 348.349 3.081 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC[C@H](Nc3ccccc3)C2)cc1 ZINC000776591903 1304177924 /nfs/dbraw/zinc/17/79/24/1304177924.db2.gz RAHPWAPLZOXFFS-PKOBYXMFSA-N 1 0 341.411 3.205 20 5 EGBDRO Cc1nn(C[N@@H+]2CCC[C@@H]2C2CCOCC2)c2cc([N+](=O)[O-])ccc12 ZINC000776770700 1304195800 /nfs/dbraw/zinc/19/58/00/1304195800.db2.gz BXXISNFXHBLHFS-QGZVFWFLSA-N 1 0 344.415 3.101 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N(CC(C)C)C2CC[NH+](C)CC2)c1C ZINC000890986668 1304934931 /nfs/dbraw/zinc/93/49/31/1304934931.db2.gz MCKUNNZJSDXJDC-UHFFFAOYSA-N 1 0 347.459 3.404 20 5 EGBDRO Cn1ncc([N+](=O)[O-])c1NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000891599873 1305105860 /nfs/dbraw/zinc/10/58/60/1305105860.db2.gz NOICJBAHLJLYAX-UHFFFAOYSA-N 1 0 349.822 3.058 20 5 EGBDRO CC(C)[C@@H](C(=O)OCc1ccc([N+](=O)[O-])c(F)c1)[NH+]1CCCCC1 ZINC000783775627 1305144815 /nfs/dbraw/zinc/14/48/15/1305144815.db2.gz HDKALQRMDPPTHK-INIZCTEOSA-N 1 0 338.379 3.288 20 5 EGBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000892113657 1305253338 /nfs/dbraw/zinc/25/33/38/1305253338.db2.gz ZYWREDYDWCSHOH-CABCVRRESA-N 1 0 348.447 3.029 20 5 EGBDRO COc1ccc([C@@H](O)C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000892514678 1305417182 /nfs/dbraw/zinc/41/71/82/1305417182.db2.gz OZFJZJPXTWIRBC-INIZCTEOSA-N 1 0 336.775 3.080 20 5 EGBDRO COc1c(O)ccc(C[NH2+]CCc2ccc(Cl)s2)c1[N+](=O)[O-] ZINC000892609253 1305468950 /nfs/dbraw/zinc/46/89/50/1305468950.db2.gz ZIQZKBBTYCYTIV-UHFFFAOYSA-N 1 0 342.804 3.356 20 5 EGBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000786573898 1305602708 /nfs/dbraw/zinc/60/27/08/1305602708.db2.gz IQXPHGWWTKURIE-INIZCTEOSA-N 1 0 339.395 3.484 20 5 EGBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])[C@@]12CCCO2 ZINC000893577844 1305975534 /nfs/dbraw/zinc/97/55/34/1305975534.db2.gz BYWLVQPENZEFNT-OAGGEKHMSA-N 1 0 340.807 3.064 20 5 EGBDRO C[C@H](C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)Oc1ccccc1F ZINC000788607084 1305980916 /nfs/dbraw/zinc/98/09/16/1305980916.db2.gz COPWUXKPZGOSGL-VXGBXAGGSA-N 1 0 333.363 3.434 20 5 EGBDRO Cc1nn(C[NH+]2CCC3(CCOCC3)CC2)c2cc([N+](=O)[O-])ccc12 ZINC000789531756 1306179242 /nfs/dbraw/zinc/17/92/42/1306179242.db2.gz UHQQCCFXAPORPO-UHFFFAOYSA-N 1 0 344.415 3.103 20 5 EGBDRO COCC[N@H+](Cn1ncc2ccc([N+](=O)[O-])cc21)[C@@H]1CC[C@H](C)C1 ZINC000790475786 1306332540 /nfs/dbraw/zinc/33/25/40/1306332540.db2.gz BTCFLJZQPWHCAQ-DZGCQCFKSA-N 1 0 332.404 3.039 20 5 EGBDRO CN1CCCC(C)(C)[C@@H]1C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000790483901 1306336265 /nfs/dbraw/zinc/33/62/65/1306336265.db2.gz AFWYIOOZGZHIHG-HNNXBMFYSA-N 1 0 325.840 3.458 20 5 EGBDRO COc1cc(NCC(C)(C)C[NH+]2CCCC2)c([N+](=O)[O-])cc1OC ZINC000790819475 1308868602 /nfs/dbraw/zinc/86/86/02/1308868602.db2.gz UQIFEICJVJSXIL-UHFFFAOYSA-N 1 0 337.420 3.146 20 5 EGBDRO COc1c(O)ccc(C[N@H+](C)C2CCC(F)(F)CC2)c1[N+](=O)[O-] ZINC000894518340 1308934237 /nfs/dbraw/zinc/93/42/37/1308934237.db2.gz YERHVPZORKJIQO-UHFFFAOYSA-N 1 0 330.331 3.319 20 5 EGBDRO C[C@@H]1C[NH+](CCCNc2cc(Cl)ccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000791407483 1308985260 /nfs/dbraw/zinc/98/52/60/1308985260.db2.gz KTGMTMIIXDHZLK-VXGBXAGGSA-N 1 0 327.812 3.159 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]CCO[C@@H]1CCCCO1 ZINC000894798232 1309078051 /nfs/dbraw/zinc/07/80/51/1309078051.db2.gz ZMWOJSSMTMDZQL-KVSKMBFKSA-N 1 0 348.443 3.439 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)ccc1CNC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000895479693 1309360926 /nfs/dbraw/zinc/36/09/26/1309360926.db2.gz SMSRCNKWLCPKRV-AWEZNQCLSA-N 1 0 337.851 3.460 20 5 EGBDRO COc1cc(C[NH2+]C[C@@H]2C=CCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000895528040 1309384729 /nfs/dbraw/zinc/38/47/29/1309384729.db2.gz SCRCAQXZUBQXAA-LLVKDONJSA-N 1 0 342.342 3.303 20 5 EGBDRO CCC(=O)c1ccc(N(C)CC[C@H]2CCCC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC000795099912 1309668500 /nfs/dbraw/zinc/66/85/00/1309668500.db2.gz DDKATXXSATXDKX-OAHLLOKOSA-N 1 0 333.432 3.498 20 5 EGBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000896341052 1309811875 /nfs/dbraw/zinc/81/18/75/1309811875.db2.gz ROCGTAZHGPGULR-OAHLLOKOSA-N 1 0 333.432 3.206 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC2CC[NH+](C3CCCC3)CC2)c1C ZINC000896843115 1310047709 /nfs/dbraw/zinc/04/77/09/1310047709.db2.gz MOBJQBXSDVPETK-UHFFFAOYSA-N 1 0 345.443 3.348 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1COC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000797476972 1310198011 /nfs/dbraw/zinc/19/80/11/1310198011.db2.gz BJNGNPLHXUHNOD-MRXNPFEDSA-N 1 0 348.399 3.054 20 5 EGBDRO C[C@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C[C@H]1O ZINC000897684666 1310433520 /nfs/dbraw/zinc/43/35/20/1310433520.db2.gz UVGJVWYFYAXGMS-ZUZCIYMTSA-N 1 0 336.775 3.321 20 5 EGBDRO O=C(OCCC[NH+]1CCCCC1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000800098013 1310670457 /nfs/dbraw/zinc/67/04/57/1310670457.db2.gz XLKDJZNMPAYOPV-UHFFFAOYSA-N 1 0 326.780 3.281 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCOC1CCSCC1 ZINC000898440954 1310736158 /nfs/dbraw/zinc/73/61/58/1310736158.db2.gz WQRGKHFPGXPTSR-KAMYIIQDSA-N 1 0 336.457 3.500 20 5 EGBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cn1cnc2cc(F)c(F)cc21 ZINC000800865463 1310821969 /nfs/dbraw/zinc/82/19/69/1310821969.db2.gz CXECLHXKBYXPMO-UHFFFAOYSA-N 1 0 346.337 3.355 20 5 EGBDRO CCOc1cc(C[NH2+][C@@H]2CCc3ccccc3OC2)ccc1[N+](=O)[O-] ZINC000801575191 1310970031 /nfs/dbraw/zinc/97/00/31/1310970031.db2.gz HPRSZPWLKJLMRL-MRXNPFEDSA-N 1 0 342.395 3.477 20 5 EGBDRO CC[C@H](C)[C@@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)OC ZINC000824596163 1320268134 /nfs/dbraw/zinc/26/81/34/1320268134.db2.gz GGXLPPHUUUTGRR-KBXCAEBGSA-N 1 0 335.448 3.214 20 5 EGBDRO CS[C@H]1CN(c2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000804623002 1317267792 /nfs/dbraw/zinc/26/77/92/1317267792.db2.gz PSVWFWGQHUDFCK-CABCVRRESA-N 1 0 341.864 3.264 20 5 EGBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000807917134 1317600944 /nfs/dbraw/zinc/60/09/44/1317600944.db2.gz NMQUYVUIXGDEBY-INIZCTEOSA-N 1 0 339.395 3.484 20 5 EGBDRO Cc1cc(NC[C@@]2(O)CCc3ccccc32)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000808004946 1317611354 /nfs/dbraw/zinc/61/13/54/1317611354.db2.gz GFIQOMNYUBOXMT-FQEVSTJZSA-N 1 0 349.390 3.119 20 5 EGBDRO CCCC[N@H+](C)C[C@H](C)Nc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000808176824 1317640926 /nfs/dbraw/zinc/64/09/26/1317640926.db2.gz LSMDYHDZYSESBM-LBPRGKRZSA-N 1 0 325.409 3.144 20 5 EGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]Cc2nc3c(s2)CCC3)n1 ZINC000903191469 1317669676 /nfs/dbraw/zinc/66/96/76/1317669676.db2.gz XNMAVWAOMLCBNE-WCQYABFASA-N 1 0 347.444 3.010 20 5 EGBDRO [NH3+]CCN(Cc1ccc(OC(F)F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000809734382 1317882602 /nfs/dbraw/zinc/88/26/02/1317882602.db2.gz FKWCIORTIOWKIJ-UHFFFAOYSA-N 1 0 337.326 3.162 20 5 EGBDRO CC(C)Oc1ccc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)cc1 ZINC000809734587 1317883513 /nfs/dbraw/zinc/88/35/13/1317883513.db2.gz ICNHTIAWIBSEDF-UHFFFAOYSA-N 1 0 329.400 3.347 20 5 EGBDRO CCCOc1cccc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)c1 ZINC000809735974 1317884310 /nfs/dbraw/zinc/88/43/10/1317884310.db2.gz BORWYSJUAQCNAC-UHFFFAOYSA-N 1 0 329.400 3.349 20 5 EGBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000809916851 1317918003 /nfs/dbraw/zinc/91/80/03/1317918003.db2.gz VTXVDUWTYLQGIA-NSHDSACASA-N 1 0 342.827 3.490 20 5 EGBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)C1(F)CCCCC1 ZINC001020877671 1317979045 /nfs/dbraw/zinc/97/90/45/1317979045.db2.gz GXIQDIGVEBVSAK-SHTZXODSSA-N 1 0 349.406 3.004 20 5 EGBDRO O=C(O[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000810844543 1318063241 /nfs/dbraw/zinc/06/32/41/1318063241.db2.gz OGDPSVWCNLKJKG-JSGCOSHPSA-N 1 0 330.340 3.125 20 5 EGBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)C1CCC=CCC1 ZINC001021063908 1318065353 /nfs/dbraw/zinc/06/53/53/1318065353.db2.gz RKNFZJGVMSSNNF-QAQDUYKDSA-N 1 0 343.427 3.078 20 5 EGBDRO CC[N@H+](CCNc1cc(Cl)c(C(=O)OC)cc1[N+](=O)[O-])C(C)C ZINC000811799590 1318268409 /nfs/dbraw/zinc/26/84/09/1318268409.db2.gz XSWSGIGARYNBFV-UHFFFAOYSA-N 1 0 343.811 3.177 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)c1C ZINC000908356848 1318330759 /nfs/dbraw/zinc/33/07/59/1318330759.db2.gz CCGPYZMEMGRZLS-ZDUSSCGKSA-N 1 0 345.443 3.158 20 5 EGBDRO O=C(NCC[NH2+]C1CCCCCC1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000911841034 1318770475 /nfs/dbraw/zinc/77/04/75/1318770475.db2.gz OMHIIILISYVZRC-QZTJIDSGSA-N 1 0 345.443 3.127 20 5 EGBDRO C[C@H]([NH3+])c1ccc(NC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000911845414 1318771755 /nfs/dbraw/zinc/77/17/55/1318771755.db2.gz KGRVXBKOXWAWPS-GOPGUHFVSA-N 1 0 325.368 3.357 20 5 EGBDRO COc1cc(NCCCCC[NH+]2CCCC2)c([N+](=O)[O-])cc1OC ZINC000814919431 1318848375 /nfs/dbraw/zinc/84/83/75/1318848375.db2.gz LPICUONTGGAUKT-UHFFFAOYSA-N 1 0 337.420 3.290 20 5 EGBDRO C[C@H]1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC001022999252 1319208659 /nfs/dbraw/zinc/20/86/59/1319208659.db2.gz XGQMQNOZAJVHIM-SZKQYQKASA-N 1 0 345.443 3.158 20 5 EGBDRO C[NH+](C)C1CCC(NC(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000817304693 1319323137 /nfs/dbraw/zinc/32/31/37/1319323137.db2.gz WIAOKFJVZOSSSI-UHFFFAOYSA-N 1 0 340.811 3.243 20 5 EGBDRO C[N@H+](CCCOc1ccccc1)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000915204683 1319443257 /nfs/dbraw/zinc/44/32/57/1319443257.db2.gz YEWOIZNLUWFPQG-UHFFFAOYSA-N 1 0 340.383 3.303 20 5 EGBDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCN2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817977296 1319484243 /nfs/dbraw/zinc/48/42/43/1319484243.db2.gz GXPHYBBHJLYNML-GFCCVEGCSA-N 1 0 326.400 3.386 20 5 EGBDRO C[NH+](C)CCCOC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000915803741 1319538407 /nfs/dbraw/zinc/53/84/07/1319538407.db2.gz DTWUERNHNFBSNJ-UHFFFAOYSA-N 1 0 344.367 3.496 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H](c2ccccc2)[C@H]2CCCO2)cc1 ZINC000819002263 1319611470 /nfs/dbraw/zinc/61/14/70/1319611470.db2.gz UAFQDNLJTGKMCN-QRVBRYPASA-N 1 0 342.395 3.138 20 5 EGBDRO CC(C)(C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1cccc(F)c1 ZINC000819082605 1319631202 /nfs/dbraw/zinc/63/12/02/1319631202.db2.gz YSQMVEZKZBTXJJ-KRWDZBQOSA-N 1 0 332.375 3.335 20 5 EGBDRO Cc1cccc2c(CC[NH2+]C[C@H](O)c3cccc([N+](=O)[O-])c3)c[nH]c21 ZINC000819099460 1319634485 /nfs/dbraw/zinc/63/44/85/1319634485.db2.gz AXOGZXKEUJUKJJ-SFHVURJKSA-N 1 0 339.395 3.250 20 5 EGBDRO C[C@@H](C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)Sc1ccccc1 ZINC000819116735 1319640889 /nfs/dbraw/zinc/64/08/89/1319640889.db2.gz YEZHRCRDTIBJLC-SUMWQHHRSA-N 1 0 332.425 3.399 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@@H]2SCCc3ccccc32)cc1 ZINC000819132653 1319643095 /nfs/dbraw/zinc/64/30/95/1319643095.db2.gz GTGAMWSBFJGPPB-ROUUACIJSA-N 1 0 344.436 3.248 20 5 EGBDRO CC[C@H](C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)Oc1cccc(C)c1 ZINC000819136987 1319644217 /nfs/dbraw/zinc/64/42/17/1319644217.db2.gz SDOIESPIJAUOOT-MJGOQNOKSA-N 1 0 344.411 3.384 20 5 EGBDRO CC[C@@H](C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)Oc1ccccc1C ZINC000819135382 1319644320 /nfs/dbraw/zinc/64/43/20/1319644320.db2.gz CJGGFDBQKCDUQK-ROUUACIJSA-N 1 0 344.411 3.384 20 5 EGBDRO CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819204401 1319667128 /nfs/dbraw/zinc/66/71/28/1319667128.db2.gz SOBMBLDIDAELNZ-RZAIGCCYSA-N 1 0 348.374 3.133 20 5 EGBDRO CC(C)n1cc2c(n1)[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)CCC2 ZINC000819218368 1319672068 /nfs/dbraw/zinc/67/20/68/1319672068.db2.gz OCBSUEZQWYHTTH-IAGOWNOFSA-N 1 0 344.415 3.073 20 5 EGBDRO C[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000916568507 1319674236 /nfs/dbraw/zinc/67/42/36/1319674236.db2.gz HVBAPPSSUAYAAP-PWSUYJOCSA-N 1 0 325.796 3.355 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@H]2C[C@H](c3cccc(F)c3)C2)cc1 ZINC000819284149 1319687912 /nfs/dbraw/zinc/68/79/12/1319687912.db2.gz YHLPMIWUCMWFBF-ZVZYQTTQSA-N 1 0 330.359 3.303 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@@H](c2ccccc2)C2CC2)cc1 ZINC000819329629 1319700674 /nfs/dbraw/zinc/70/06/74/1319700674.db2.gz JRJWADGTONPRRQ-OALUTQOASA-N 1 0 326.396 3.412 20 5 EGBDRO Cc1c(C[NH2+]Cc2cccc(N3CCCC3=O)c2)cccc1[N+](=O)[O-] ZINC000917136951 1319761755 /nfs/dbraw/zinc/76/17/55/1319761755.db2.gz CHZAPRJLYKIWBN-UHFFFAOYSA-N 1 0 339.395 3.320 20 5 EGBDRO C[C@H]1CCC[C@@H]([N@H+](C)Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000917427988 1319809487 /nfs/dbraw/zinc/80/94/87/1319809487.db2.gz DQKDSZNEQCMYLG-DZGCQCFKSA-N 1 0 329.404 3.321 20 5 EGBDRO C[C@@H]1CSC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Br ZINC000930455007 1328860085 /nfs/dbraw/zinc/86/00/85/1328860085.db2.gz GEPADSZJPXMOAO-PRHODGIISA-N 1 0 331.235 3.198 20 5 EGBDRO CC(C)(CCc1noc(CC[C@H]([NH3+])CC2CCCCC2)n1)[N+](=O)[O-] ZINC000823234957 1320163768 /nfs/dbraw/zinc/16/37/68/1320163768.db2.gz NPENUUJPGOGMDE-AWEZNQCLSA-N 1 0 338.452 3.288 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000824376649 1320252882 /nfs/dbraw/zinc/25/28/82/1320252882.db2.gz SGMFLSVAFSJYKI-CABCVRRESA-N 1 0 349.456 3.063 20 5 EGBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2F)C1 ZINC000824656165 1320274764 /nfs/dbraw/zinc/27/47/64/1320274764.db2.gz FVHGRTMWVMJOBW-UMVBOHGHSA-N 1 0 349.406 3.211 20 5 EGBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2F)C1 ZINC000824656167 1320275202 /nfs/dbraw/zinc/27/52/02/1320275202.db2.gz FVHGRTMWVMJOBW-VNHYZAJKSA-N 1 0 349.406 3.211 20 5 EGBDRO C[N@@H+]1CC[C@@H]2CN(Cc3cc(Cl)cc(Cl)c3[N+](=O)[O-])C[C@@H]21 ZINC000824893327 1320294000 /nfs/dbraw/zinc/29/40/00/1320294000.db2.gz PUZICEBVYGXSQQ-RNCFNFMXSA-N 1 0 330.215 3.038 20 5 EGBDRO CC[NH+]1CCC(N(C)C(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)CC1 ZINC000825537342 1320345864 /nfs/dbraw/zinc/34/58/64/1320345864.db2.gz VVDQQQXJUYGYHU-UHFFFAOYSA-N 1 0 339.823 3.113 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[N@@H+](C(C)C)C2)cc1Cl ZINC000836785902 1320534624 /nfs/dbraw/zinc/53/46/24/1320534624.db2.gz ZCHYYMIQJLRDQR-GFCCVEGCSA-N 1 0 339.823 3.159 20 5 EGBDRO Cc1cc([N+](=O)[O-])cc(C(=O)OCC[N@@H+](C)Cc2ccccc2)c1F ZINC000837663343 1320663131 /nfs/dbraw/zinc/66/31/31/1320663131.db2.gz VWBIWPRTQUUAER-UHFFFAOYSA-N 1 0 346.358 3.331 20 5 EGBDRO O=C(OCC[NH+]1CCCCC1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000837959002 1320713247 /nfs/dbraw/zinc/71/32/47/1320713247.db2.gz MBAPQJBFFPHRIE-UHFFFAOYSA-N 1 0 346.305 3.256 20 5 EGBDRO O=C(C[NH+](CC1CC1)CC1CC1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839521238 1320931532 /nfs/dbraw/zinc/93/15/32/1320931532.db2.gz YEXQYVPIBJGHFT-UHFFFAOYSA-N 1 0 337.807 3.309 20 5 EGBDRO CO[C@@H]1C[C@@H]([N@H+](C)Cn2nc(C)c3ccc([N+](=O)[O-])cc32)C12CCC2 ZINC000840143667 1321038366 /nfs/dbraw/zinc/03/83/66/1321038366.db2.gz WKDPDEJYZYWMRC-IAGOWNOFSA-N 1 0 344.415 3.100 20 5 EGBDRO O=C(Nc1cccc([N+](=O)[O-])c1Cl)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000843041884 1321460433 /nfs/dbraw/zinc/46/04/33/1321460433.db2.gz AYAXCYKJSVUAGQ-GFCCVEGCSA-N 1 0 338.795 3.044 20 5 EGBDRO O=[N+]([O-])c1ccc2sc(-c3nc(CC4CC[NH2+]CC4)no3)cc2c1 ZINC000843134095 1321475417 /nfs/dbraw/zinc/47/54/17/1321475417.db2.gz MQKNCTUATQEUET-UHFFFAOYSA-N 1 0 344.396 3.402 20 5 EGBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1c(C)c(F)ccc1[N+](=O)[O-] ZINC000843799648 1321548644 /nfs/dbraw/zinc/54/86/44/1321548644.db2.gz ZOTUIVFIAWTJGE-ZDUSSCGKSA-N 1 0 337.395 3.037 20 5 EGBDRO C[C@@H](C[NH+]1CCCC1)OC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000845666745 1321731158 /nfs/dbraw/zinc/73/11/58/1321731158.db2.gz XHGGHKBKTXJVNY-JTQLQIEISA-N 1 0 346.305 3.255 20 5 EGBDRO CCC(C)(C)[NH+]1CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000848390989 1321957201 /nfs/dbraw/zinc/95/72/01/1321957201.db2.gz NWJIJDYULGZUHA-UHFFFAOYSA-N 1 0 339.823 3.195 20 5 EGBDRO COCC1(C)CC[NH+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)CC1 ZINC000848483385 1321963901 /nfs/dbraw/zinc/96/39/01/1321963901.db2.gz DYVMJZGCSXQPKT-UHFFFAOYSA-N 1 0 344.415 3.164 20 5 EGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H](CCO)Cc1ccccc1 ZINC000848547931 1321974517 /nfs/dbraw/zinc/97/45/17/1321974517.db2.gz CXNDFJPOAPAICS-YJBOKZPZSA-N 1 0 326.396 3.165 20 5 EGBDRO CC(C)Oc1nc(N2CCCC3(CC[NH+](C)CC3)C2)ccc1[N+](=O)[O-] ZINC000848695733 1321996998 /nfs/dbraw/zinc/99/69/98/1321996998.db2.gz QFAMTGHHOWEXMZ-UHFFFAOYSA-N 1 0 348.447 3.089 20 5 EGBDRO COc1cc(N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c([N+](=O)[O-])cc1OC ZINC000848785887 1322010661 /nfs/dbraw/zinc/01/06/61/1322010661.db2.gz OETUPEHOZXBRPX-OCCSQVGLSA-N 1 0 335.404 3.041 20 5 EGBDRO CC(C)(C)N1CC[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000850495017 1322257762 /nfs/dbraw/zinc/25/77/62/1322257762.db2.gz VBBFTCAEOAPDMD-MRXNPFEDSA-N 1 0 346.475 3.026 20 5 EGBDRO C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](CO)Cc1ccccc1 ZINC000852287219 1323172779 /nfs/dbraw/zinc/17/27/79/1323172779.db2.gz DIUMUFPNTDEKNW-OAHLLOKOSA-N 1 0 334.803 3.284 20 5 EGBDRO CN(c1ccccc1)[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000852654049 1323222272 /nfs/dbraw/zinc/22/22/72/1323222272.db2.gz FDGJHCGUYHNRRJ-INIZCTEOSA-N 1 0 329.375 3.445 20 5 EGBDRO COc1cc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c([N+](=O)[O-])cc1C ZINC000853454933 1325095674 /nfs/dbraw/zinc/09/56/74/1325095674.db2.gz MHTMDBNBSYHWIF-GOEBONIOSA-N 1 0 345.443 3.365 20 5 EGBDRO O=[N+]([O-])c1cn(C[N@@H+]2CC[C@H](c3ccccc3)C2)nc1-c1ccccn1 ZINC000853492196 1325103984 /nfs/dbraw/zinc/10/39/84/1325103984.db2.gz HQJCQGPZVWRNKU-INIZCTEOSA-N 1 0 349.394 3.300 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ncn(C[N@@H+]3CCC[C@@H]4CCCC[C@@H]43)n2)cc1 ZINC000853634222 1325136990 /nfs/dbraw/zinc/13/69/90/1325136990.db2.gz MQVOHABBFRVNHS-YOEHRIQHSA-N 1 0 341.415 3.465 20 5 EGBDRO CC(=O)c1ccc([N+](=O)[O-])cc1NCC1CC[NH+](CC2CC2)CC1 ZINC000853987048 1325198772 /nfs/dbraw/zinc/19/87/72/1325198772.db2.gz ZOJALOXBLKYIOJ-UHFFFAOYSA-N 1 0 331.416 3.331 20 5 EGBDRO CCC(CC)Nc1cc[nH+]cc1NC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000854577411 1325279295 /nfs/dbraw/zinc/27/92/95/1325279295.db2.gz HCNGVCFNVZAPFN-UHFFFAOYSA-N 1 0 346.362 3.404 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]CC1CC2(C1)OCCO2 ZINC000927003313 1327815143 /nfs/dbraw/zinc/81/51/43/1327815143.db2.gz MAXMVUMLIKOVTN-WBVHZDCISA-N 1 0 346.427 3.049 20 5 EGBDRO Cc1ccc(NCC[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])nc1 ZINC000927071223 1327841712 /nfs/dbraw/zinc/84/17/12/1327841712.db2.gz RLYLJXVWLJRKST-CYBMUJFWSA-N 1 0 332.379 3.070 20 5 EGBDRO O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(C[NH+]2CCCCC2)o1 ZINC000929133539 1328514754 /nfs/dbraw/zinc/51/47/54/1328514754.db2.gz NUKDFKQDFWCDGZ-UHFFFAOYSA-N 1 0 329.356 3.426 20 5 EGBDRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2cccc([N+](=O)[O-])c2Cl)C1 ZINC000862153887 1329462627 /nfs/dbraw/zinc/46/26/27/1329462627.db2.gz BPENRDLOACBDTC-LLVKDONJSA-N 1 0 339.823 3.098 20 5 EGBDRO Cc1ccc(C[N@@H+]2CCC[C@@](O)(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000862482508 1329489981 /nfs/dbraw/zinc/48/99/81/1329489981.db2.gz JBZVOVJHFWPFKT-IBGZPJMESA-N 1 0 326.396 3.387 20 5 EGBDRO O=[N+]([O-])c1cc(CO)c(NC2CC[NH+](C3CCCC3)CC2)cc1F ZINC000865585915 1329716744 /nfs/dbraw/zinc/71/67/44/1329716744.db2.gz SCFMBXMMOKZDOY-UHFFFAOYSA-N 1 0 337.395 3.045 20 5 EGBDRO C[N@@H+]1CCC[C@H]2CN(c3ccc([N+](=O)[O-])cc3C(F)F)CC[C@@H]21 ZINC000865616107 1329720549 /nfs/dbraw/zinc/72/05/49/1329720549.db2.gz GUHGIQLMFZZHKW-FZMZJTMJSA-N 1 0 325.359 3.453 20 5 EGBDRO C[C@@H](NC(=O)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000932177934 1329791433 /nfs/dbraw/zinc/79/14/33/1329791433.db2.gz GQIDACITZBPFES-ZIAGYGMSSA-N 1 0 327.384 3.123 20 5 EGBDRO C[C@@H]([NH2+]C[C@H]1CN(c2ccccc2)C(=O)O1)c1ccc([N+](=O)[O-])cc1 ZINC000932178344 1329791458 /nfs/dbraw/zinc/79/14/58/1329791458.db2.gz ZCKRDQJSTSVJBB-DYVFJYSZSA-N 1 0 341.367 3.271 20 5 EGBDRO C[C@@H]([NH2+]CC(=O)N(C)Cc1ccccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000932184014 1329791883 /nfs/dbraw/zinc/79/18/83/1329791883.db2.gz XLFRQGGZJRQNTD-CYBMUJFWSA-N 1 0 345.374 3.043 20 5 EGBDRO C[C@@H]([NH2+][C@@H](c1ccccn1)C1CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000932376381 1329809508 /nfs/dbraw/zinc/80/95/08/1329809508.db2.gz ISNFWDKEWKXNDM-SJKOYZFVSA-N 1 0 340.383 3.058 20 5 EGBDRO C[NH+](C)CC[C@H](NC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000932987721 1329853082 /nfs/dbraw/zinc/85/30/82/1329853082.db2.gz WYJJBHIXPQDPAG-IKGGRYGDSA-N 1 0 347.459 3.181 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000933465533 1329891198 /nfs/dbraw/zinc/89/11/98/1329891198.db2.gz VALWFWCVKLHYQF-LLVKDONJSA-N 1 0 339.461 3.023 20 5 EGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H](CCO)c1ccccc1 ZINC000866271732 1330088644 /nfs/dbraw/zinc/08/86/44/1330088644.db2.gz PAZSADSDKHEVSE-WMLDXEAASA-N 1 0 346.402 3.421 20 5 EGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1CSCCS1 ZINC000866279711 1330089694 /nfs/dbraw/zinc/08/96/94/1330089694.db2.gz BZSRGBRTWSIFKL-GXFFZTMASA-N 1 0 330.450 3.103 20 5 EGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1CSCCS1 ZINC000866279713 1330089724 /nfs/dbraw/zinc/08/97/24/1330089724.db2.gz BZSRGBRTWSIFKL-ZWNOBZJWSA-N 1 0 330.450 3.103 20 5 EGBDRO Cc1ccccc1C[C@@H](CO)[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866347095 1330099810 /nfs/dbraw/zinc/09/98/10/1330099810.db2.gz ZZITZRLWEQXZRO-KSSFIOAISA-N 1 0 346.402 3.167 20 5 EGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H](C)CC1(C)OCCO1 ZINC000866427593 1330110731 /nfs/dbraw/zinc/11/07/31/1330110731.db2.gz MBESLZFQUYBLNJ-QWHCGFSZSA-N 1 0 340.395 3.044 20 5 EGBDRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)C1CCCCC1 ZINC001086294725 1359058706 /nfs/dbraw/zinc/05/87/06/1359058706.db2.gz NBAKQVJWRSEORY-CZIWCDLHSA-N 1 0 345.443 3.160 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H]1CCCC[C@H]1[NH+](C)C ZINC001323971944 1387502108 /nfs/dbraw/zinc/50/21/08/1387502108.db2.gz JKSNUPPKIJOECB-DZGCQCFKSA-N 1 0 334.420 3.206 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)Cc1ccc(C(N)=O)cc1 ZINC001324014009 1387508929 /nfs/dbraw/zinc/50/89/29/1387508929.db2.gz GHPOSJDGDCJQLJ-UVTDQMKNSA-N 1 0 339.395 3.229 20 5 EGBDRO CCc1ccc(-c2nc([C@@H]3C[NH+]4CCC3CC4)no2)cc1[N+](=O)[O-] ZINC001325467564 1387984329 /nfs/dbraw/zinc/98/43/29/1387984329.db2.gz COUVHIOOEJQZCB-CQSZACIVSA-N 1 0 328.372 3.016 20 5 EGBDRO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2/C=C/C(C)(C)O ZINC001203225123 1370031621 /nfs/dbraw/zinc/03/16/21/1370031621.db2.gz ZJAUHXQUQKLFAN-QKKVNICISA-N 1 0 337.423 3.496 20 5 EGBDRO CC/C(C)=C\C(=O)N1CCC(C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001205204013 1370678375 /nfs/dbraw/zinc/67/83/75/1370678375.db2.gz VYCOGPVQDIAOBV-QINSGFPZSA-N 1 0 345.443 3.279 20 5 EGBDRO C[NH+]1CCC(Oc2ccc(Nc3ccccc3[N+](=O)[O-])nc2)CC1 ZINC001206157950 1370975428 /nfs/dbraw/zinc/97/54/28/1370975428.db2.gz LQGUCHWIVQVVTR-UHFFFAOYSA-N 1 0 328.372 3.206 20 5 EGBDRO C[C@@H](C[NH+]1CCC(C)CC1)c1nnc(Cc2cccc([N+](=O)[O-])c2)o1 ZINC001117221062 1371023467 /nfs/dbraw/zinc/02/34/67/1371023467.db2.gz OCZMQGBNXYRTSS-AWEZNQCLSA-N 1 0 344.415 3.404 20 5 EGBDRO CC(C)(C)[N@@H+]1CC[C@@H](Nc2ncnc3c(Cl)cc([N+](=O)[O-])cc23)C1 ZINC001118597556 1371204255 /nfs/dbraw/zinc/20/42/55/1371204255.db2.gz OIZTYFARLXXAJU-SNVBAGLBSA-N 1 0 349.822 3.476 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)c1C ZINC001119452348 1371346315 /nfs/dbraw/zinc/34/63/15/1371346315.db2.gz JTLWGAPRGVOEMZ-ZDUSSCGKSA-N 1 0 347.459 3.452 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@H](O)c1ccccc1C(F)(F)F ZINC001120464555 1371585464 /nfs/dbraw/zinc/58/54/64/1371585464.db2.gz CSFMDRXYBALWMY-HNNXBMFYSA-N 1 0 340.301 3.437 20 5 EGBDRO COc1ncc(Nc2ccc(C[NH+]3CCCC3)cc2)cc1[N+](=O)[O-] ZINC001210137632 1372279527 /nfs/dbraw/zinc/27/95/27/1372279527.db2.gz DIKMOUZNUZQBPE-UHFFFAOYSA-N 1 0 328.372 3.338 20 5 EGBDRO CCCc1ccc(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])s1 ZINC001128335148 1373253226 /nfs/dbraw/zinc/25/32/26/1373253226.db2.gz RULRLTZTYURDOF-UHFFFAOYSA-N 1 0 347.440 3.128 20 5 EGBDRO Nc1cn(-c2cc(F)cc([N+](=O)[O-])c2)cc(-c2cccc(F)c2)c1=[NH2+] ZINC001216482469 1373310334 /nfs/dbraw/zinc/31/03/34/1373310334.db2.gz KYHKKQOTWCYQTO-UHFFFAOYSA-N 1 0 342.305 3.392 20 5 EGBDRO CC(C)(C)c1cc([N+](=O)[O-])c(O[C@@H]2CCCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001217976642 1373523310 /nfs/dbraw/zinc/52/33/10/1373523310.db2.gz XSTLHMAPGLOQKT-GFCCVEGCSA-N 1 0 337.376 3.321 20 5 EGBDRO C[C@H]1CC[NH2+]CC[C@@H]1Oc1c(F)cc(Br)cc1[N+](=O)[O-] ZINC001218026498 1373541207 /nfs/dbraw/zinc/54/12/07/1373541207.db2.gz ZJDRTLOAKOXCGQ-UFBFGSQYSA-N 1 0 347.184 3.263 20 5 EGBDRO C[C@H]1CC[NH2+]CC[C@H]1Oc1ccc(Br)c([N+](=O)[O-])c1 ZINC001218025441 1373541475 /nfs/dbraw/zinc/54/14/75/1373541475.db2.gz FHSNZGGBFICURR-TVQRCGJNSA-N 1 0 329.194 3.124 20 5 EGBDRO C[C@@H]1CC[NH2+]CC[C@@H]1Oc1c(F)cc([N+](=O)[O-])cc1Br ZINC001218028077 1373541952 /nfs/dbraw/zinc/54/19/52/1373541952.db2.gz CKJLUGRAEONEPB-PELKAZGASA-N 1 0 347.184 3.263 20 5 EGBDRO C[C@H]1CC[NH2+]CC[C@@H]1Oc1cc([N+](=O)[O-])ccc1Br ZINC001218026748 1373542068 /nfs/dbraw/zinc/54/20/68/1373542068.db2.gz JUCDAFKUBOVYKH-CABZTGNLSA-N 1 0 329.194 3.124 20 5 EGBDRO O=[N+]([O-])c1cc([N+](=O)[O-])c(O[C@H]2CC[C@]23CC[NH2+]C3)c2ccccc21 ZINC001218120026 1373564117 /nfs/dbraw/zinc/56/41/17/1373564117.db2.gz SAFOIBSFAUOTQC-DOTOQJQBSA-N 1 0 343.339 3.177 20 5 EGBDRO O=[N+]([O-])c1ccc(/C=C/c2ccc(OC[C@H]3C[NH2+]CCO3)cc2)cc1 ZINC001218179313 1373573477 /nfs/dbraw/zinc/57/34/77/1373573477.db2.gz LVUTWRXZFFMJMV-VQSDEBNRSA-N 1 0 340.379 3.132 20 5 EGBDRO CCC(C)(C)c1cc([N+](=O)[O-])c(O[C@H](C)C2C[NH2+]C2)c([N+](=O)[O-])c1 ZINC001218199043 1373577133 /nfs/dbraw/zinc/57/71/33/1373577133.db2.gz YHXSKDHVQGNVOB-SNVBAGLBSA-N 1 0 337.376 3.177 20 5 EGBDRO C[C@@H](Oc1ccc([C@@H]2C[C@H]2[NH3+])cc1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001218213853 1373579304 /nfs/dbraw/zinc/57/93/04/1373579304.db2.gz LCGSLMYGIJDHPC-WKPIXPDZSA-N 1 0 342.351 3.278 20 5 EGBDRO C[C@@H](Oc1cccc2c1C[NH2+]C2)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001218216360 1373579557 /nfs/dbraw/zinc/57/95/57/1373579557.db2.gz YWVXTZFOFTWKAC-SNVBAGLBSA-N 1 0 328.324 3.067 20 5 EGBDRO Cc1c(Cl)cc([N+](=O)[O-])c(O[C@H]2C[NH2+][C@@H]2C)c1Br ZINC001218386001 1373604429 /nfs/dbraw/zinc/60/44/29/1373604429.db2.gz JMAMNSIROWJMER-MUWHJKNJSA-N 1 0 335.585 3.058 20 5 EGBDRO CC(C)(C)OC(=O)c1ccc([N+](=O)[O-])c(O[C@@H]2C[NH2+]CCC23CC3)c1 ZINC001218404404 1373608310 /nfs/dbraw/zinc/60/83/10/1373608310.db2.gz MXFUKNCDPXXKLL-OAHLLOKOSA-N 1 0 348.399 3.071 20 5 EGBDRO CC1(C)C[C@H](Oc2ccc([N+](=O)[O-])c(Br)c2)CC[NH2+]1 ZINC001218472131 1373620372 /nfs/dbraw/zinc/62/03/72/1373620372.db2.gz NLMUKKWBFMDRHY-SNVBAGLBSA-N 1 0 329.194 3.267 20 5 EGBDRO CC1(C)C[C@H](Oc2cc([N+](=O)[O-])c(Br)cc2F)CC[NH2+]1 ZINC001218473613 1373620495 /nfs/dbraw/zinc/62/04/95/1373620495.db2.gz ZUEYGGZKDNORFE-MRVPVSSYSA-N 1 0 347.184 3.406 20 5 EGBDRO Nc1cc2nc3ccccc3nc2cc1NC(=O)[C@@H]([NH3+])C1CCCCC1 ZINC001218857005 1373661970 /nfs/dbraw/zinc/66/19/70/1373661970.db2.gz HTAILKQYZKVSNJ-IBGZPJMESA-N 1 0 349.438 3.211 20 5 EGBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ccc(Br)cc1[N+](=O)[O-])C2 ZINC001225658880 1375139640 /nfs/dbraw/zinc/13/96/40/1375139640.db2.gz MIWVZHLEJMSYOX-GDNZZTSVSA-N 1 0 341.205 3.361 20 5 EGBDRO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1Oc1ccc([N+](=O)[O-])nc1 ZINC001226710478 1375313629 /nfs/dbraw/zinc/31/36/29/1375313629.db2.gz LQXVGIWAYTXQCP-YOEHRIQHSA-N 1 0 327.384 3.279 20 5 EGBDRO C[NH+]1CCC2(CC[C@@H](COc3c(Cl)cccc3[N+](=O)[O-])O2)CC1 ZINC001228002049 1375501363 /nfs/dbraw/zinc/50/13/63/1375501363.db2.gz HANMYIIFCISOEG-LBPRGKRZSA-N 1 0 340.807 3.270 20 5 EGBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Oc1cnccc1[N+](=O)[O-] ZINC001228880946 1375705040 /nfs/dbraw/zinc/70/50/40/1375705040.db2.gz BEDSTUUELOUQSZ-YOEHRIQHSA-N 1 0 327.384 3.279 20 5 EGBDRO C[N@@H+]1CCC[C@@H](Oc2cc([N+](=O)[O-])c(Br)cc2F)CC1 ZINC001228937931 1375721716 /nfs/dbraw/zinc/72/17/16/1375721716.db2.gz GUYCNUNKYCBVIH-SECBINFHSA-N 1 0 347.184 3.360 20 5 EGBDRO CC[N@@H+]1CCC[C@@H](Oc2cc([N+](=O)[O-])c(Br)cc2F)C1 ZINC001228941192 1375722893 /nfs/dbraw/zinc/72/28/93/1375722893.db2.gz IQNYVSAXBIJNLD-SECBINFHSA-N 1 0 347.184 3.360 20 5 EGBDRO CCCc1ccc(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1 ZINC001133089799 1375768197 /nfs/dbraw/zinc/76/81/97/1375768197.db2.gz PTGJPSJMFQZQPG-UHFFFAOYSA-N 1 0 341.411 3.067 20 5 EGBDRO C[N@@H+]1CCC[C@@H](Oc2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC001229145564 1375774484 /nfs/dbraw/zinc/77/44/84/1375774484.db2.gz LMLLSRBXMYZLJQ-GFCCVEGCSA-N 1 0 329.194 3.220 20 5 EGBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(Br)c2c1C(=O)CC2 ZINC001229372285 1375821022 /nfs/dbraw/zinc/82/10/22/1375821022.db2.gz YKCYKKGOKUPTPF-JTQLQIEISA-N 1 0 327.242 3.052 20 5 EGBDRO C[NH+](C)Cc1cc(F)ccc1O[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001229853112 1375904233 /nfs/dbraw/zinc/90/42/33/1375904233.db2.gz BYWZBPXCNUEMGH-KRWDZBQOSA-N 1 0 330.359 3.342 20 5 EGBDRO CC(C)N1CC[C@@H](Oc2c(Br)c(F)ccc2[N+](=O)[O-])C1 ZINC001230686034 1376125552 /nfs/dbraw/zinc/12/55/52/1376125552.db2.gz VCRDLBBGSGTAET-SECBINFHSA-N 1 0 347.184 3.358 20 5 EGBDRO Cc1cc(Br)cc([N+](=O)[O-])c1O[C@@H]1CCC[N@@H+](C)C1 ZINC001230938623 1376183952 /nfs/dbraw/zinc/18/39/52/1376183952.db2.gz OHKQQMBUIOSBDZ-LLVKDONJSA-N 1 0 329.194 3.139 20 5 EGBDRO O=C1COC[C@H]2C[N@H+](Cc3c4ccccc4cc4ccccc43)CCN12 ZINC001141728411 1378366698 /nfs/dbraw/zinc/36/66/98/1378366698.db2.gz SKBCVHLIUAGSDJ-GOSISDBHSA-N 1 0 346.430 3.036 20 5 EGBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccc(C2CC2)s1 ZINC001147733156 1379068383 /nfs/dbraw/zinc/06/83/83/1379068383.db2.gz MTFWSRRFODFGMS-UHFFFAOYSA-N 1 0 345.424 3.053 20 5 EGBDRO CC(C)[N@@H+]1CC[C@@H](N(C)c2ncnc3c(Cl)cc([N+](=O)[O-])cc32)C1 ZINC001327713266 1388589201 /nfs/dbraw/zinc/58/92/01/1388589201.db2.gz AQYCUPZLMHFEHE-LLVKDONJSA-N 1 0 349.822 3.110 20 5 EGBDRO CC[N@@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])cc2OC(F)F)C1 ZINC001327969596 1388636002 /nfs/dbraw/zinc/63/60/02/1388636002.db2.gz WSJCGVNNTVSSAS-LLVKDONJSA-N 1 0 329.347 3.340 20 5 EGBDRO CC(C)(C)C12CC(C(=O)NCC[NH2+]Cc3ccc([N+](=O)[O-])cc3)(C1)C2 ZINC001152970548 1380000508 /nfs/dbraw/zinc/00/05/08/1380000508.db2.gz VNPSHPDRVILQDE-UHFFFAOYSA-N 1 0 345.443 3.017 20 5 EGBDRO C[NH+](C)CCC(C)(C)NC(=O)c1cccc2nc3ccccc3nc21 ZINC001153870491 1380147194 /nfs/dbraw/zinc/14/71/94/1380147194.db2.gz FMRVWMGSVIFNQN-UHFFFAOYSA-N 1 0 336.439 3.243 20 5 EGBDRO C[NH+](C)CC(C)(C)CNC(=O)c1cccc2nc3ccccc3nc21 ZINC001153871946 1380147691 /nfs/dbraw/zinc/14/76/91/1380147691.db2.gz XKFDJAYIGJDFJH-UHFFFAOYSA-N 1 0 336.439 3.101 20 5 EGBDRO C[C@@H]1C[NH2+]CCC[C@@H]1CNc1ccc(-c2ccccc2[N+](=O)[O-])nn1 ZINC001155035043 1380395679 /nfs/dbraw/zinc/39/56/79/1380395679.db2.gz ZYMSVUJANHNNEV-ZIAGYGMSSA-N 1 0 341.415 3.099 20 5 EGBDRO [NH3+][C@H]1Cc2ccccc2N(c2ccc(-c3ccc([N+](=O)[O-])cc3)nn2)C1 ZINC001155307366 1380435372 /nfs/dbraw/zinc/43/53/72/1380435372.db2.gz UJRZHASODRPVIB-HNNXBMFYSA-N 1 0 347.378 3.073 20 5 EGBDRO O=[N+]([O-])c1ccc2nc(N[C@@H]3CC[NH2+][C@H]3c3ccccc3)cnc2c1 ZINC001155548849 1380466828 /nfs/dbraw/zinc/46/68/28/1380466828.db2.gz GMJJNULLBWQLSG-QAPCUYQASA-N 1 0 335.367 3.053 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)nc1-c1ccc(F)cc1 ZINC001155592462 1380471112 /nfs/dbraw/zinc/47/11/12/1380471112.db2.gz PIQWTTDPPBWJMP-SNPRPXQTSA-N 1 0 342.374 3.206 20 5 EGBDRO O=[N+]([O-])c1cccc2nc(N3CC[NH2+]C[C@@H]3c3cccs3)ccc21 ZINC001156098110 1380524864 /nfs/dbraw/zinc/52/48/64/1380524864.db2.gz OXXJQJVAUGMMRF-OAHLLOKOSA-N 1 0 340.408 3.355 20 5 EGBDRO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1N(C)c1cc([N+](=O)[O-])ccn1 ZINC001156332309 1380560697 /nfs/dbraw/zinc/56/06/97/1380560697.db2.gz IUJFOWKOWQWVOT-YJBOKZPZSA-N 1 0 340.427 3.337 20 5 EGBDRO O=[N+]([O-])c1c(Cl)ccnc1-n1cncc1C[NH2+]Cc1ccccc1 ZINC001156482658 1380581926 /nfs/dbraw/zinc/58/19/26/1380581926.db2.gz RHQQAMDCHMNADX-UHFFFAOYSA-N 1 0 343.774 3.119 20 5 EGBDRO C[NH+]1CCC2(CCN(c3ccc4cccc([N+](=O)[O-])c4n3)CC2)CC1 ZINC001156575465 1380595830 /nfs/dbraw/zinc/59/58/30/1380595830.db2.gz COSRQPSYZLFJFZ-UHFFFAOYSA-N 1 0 340.427 3.455 20 5 EGBDRO CC(C)[N@H+](C)[C@@H]1CCN(C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)C1 ZINC001157009122 1380750672 /nfs/dbraw/zinc/75/06/72/1380750672.db2.gz FILAYKHRLQHVHU-SNVBAGLBSA-N 1 0 348.781 3.107 20 5 EGBDRO Cc1cc(Cl)c([N+](=O)[O-])c(-n2cc(CC[NH3+])c3cc(O)ccc32)n1 ZINC001157218743 1380814365 /nfs/dbraw/zinc/81/43/65/1380814365.db2.gz WKKOOKMZKJHPAX-UHFFFAOYSA-N 1 0 346.774 3.102 20 5 EGBDRO Cc1cc(Cl)nc(-n2cc(CC[NH3+])c3cc(O)ccc32)c1[N+](=O)[O-] ZINC001157218727 1380814613 /nfs/dbraw/zinc/81/46/13/1380814613.db2.gz VNWDHBMXKXLRRM-UHFFFAOYSA-N 1 0 346.774 3.102 20 5 EGBDRO [NH3+]CCN(c1cccnc1)c1nc2ccccc2c(Cl)c1[N+](=O)[O-] ZINC001158000307 1381097486 /nfs/dbraw/zinc/09/74/86/1381097486.db2.gz MBJXHQNMUWPLHM-UHFFFAOYSA-N 1 0 343.774 3.288 20 5 EGBDRO Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1ncc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001158731345 1381373496 /nfs/dbraw/zinc/37/34/96/1381373496.db2.gz WVJVSWOLKZMCMW-CYBMUJFWSA-N 1 0 343.343 3.138 20 5 EGBDRO Cc1scc(C(=O)NCCC[NH2+]Cc2ccccc2[N+](=O)[O-])c1C ZINC001158797832 1381403506 /nfs/dbraw/zinc/40/35/06/1381403506.db2.gz JSISXQLKGAZDEB-UHFFFAOYSA-N 1 0 347.440 3.183 20 5 EGBDRO O=[N+]([O-])c1ccccc1Nc1cccnc1OCC1CC[NH2+]CC1 ZINC001159295127 1381755413 /nfs/dbraw/zinc/75/54/13/1381755413.db2.gz IQWQGOSGNGUHCV-UHFFFAOYSA-N 1 0 328.372 3.112 20 5 EGBDRO O=[N+]([O-])/C=C/c1ccc(Nc2ccc(CN3CC[NH2+]CC3)cc2)cc1 ZINC001159567864 1381831817 /nfs/dbraw/zinc/83/18/17/1381831817.db2.gz QNAGFGHKBAOPHA-FMIVXFBMSA-N 1 0 338.411 3.083 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1Nc1ccc(CN2CC[NH2+]CC2)cc1 ZINC001159567726 1381832052 /nfs/dbraw/zinc/83/20/52/1381832052.db2.gz KDXVNPPAXYGPFP-UHFFFAOYSA-N 1 0 326.400 3.052 20 5 EGBDRO C[C@H]([NH3+])c1ncc(-c2ccccc2)n1-c1cc([N+](=O)[O-])c2cc[nH]c2n1 ZINC001159596238 1381841758 /nfs/dbraw/zinc/84/17/58/1381841758.db2.gz UOXPQQHNDYSDOS-NSHDSACASA-N 1 0 348.366 3.344 20 5 EGBDRO Cc1cc([N+](=O)[O-])cnc1N[C@@H](Cc1ccccc1)C[NH+]1CCCC1 ZINC001159652176 1381859870 /nfs/dbraw/zinc/85/98/70/1381859870.db2.gz SHFZVJIPIUWOHF-KRWDZBQOSA-N 1 0 340.427 3.417 20 5 EGBDRO O=[N+]([O-])c1ccc(Nc2ccc(OCC3CC[NH2+]CC3)c(F)c2)cn1 ZINC001159881026 1381927136 /nfs/dbraw/zinc/92/71/36/1381927136.db2.gz MAEXZSHKCMXOGC-UHFFFAOYSA-N 1 0 346.362 3.251 20 5 EGBDRO [NH3+][C@@H]1CCc2c3ccccc3n(-c3cc(Cl)ncc3[N+](=O)[O-])c2C1 ZINC001159947952 1381946349 /nfs/dbraw/zinc/94/63/49/1381946349.db2.gz QQKZGVBDJBBSSK-SNVBAGLBSA-N 1 0 342.786 3.403 20 5 EGBDRO Cc1ccc2c(C[C@@H](C)[NH3+])cn(-c3ncc([N+](=O)[O-])cc3F)c2c1 ZINC001160011743 1381966884 /nfs/dbraw/zinc/96/68/84/1381966884.db2.gz PUYBPZZUFXBUFB-LLVKDONJSA-N 1 0 328.347 3.271 20 5 EGBDRO O=[N+]([O-])c1cc(Nc2cccc(F)c2O[C@@H]2CC[NH2+]C2)ccc1F ZINC001160184050 1382027739 /nfs/dbraw/zinc/02/77/39/1382027739.db2.gz FQEMSSUKLMMYNE-LLVKDONJSA-N 1 0 335.310 3.357 20 5 EGBDRO COc1cccc2c1c(C[NH3+])cn2-c1nc(C)cc(C)c1[N+](=O)[O-] ZINC001160763499 1382189340 /nfs/dbraw/zinc/18/93/40/1382189340.db2.gz BVXURAFLEMPPKF-UHFFFAOYSA-N 1 0 326.356 3.018 20 5 EGBDRO CC(C)(C)[NH+]1CC(Nc2nc(Cl)nc3ccc([N+](=O)[O-])cc32)C1 ZINC001162221682 1382660531 /nfs/dbraw/zinc/66/05/31/1382660531.db2.gz QZWRRZMLQHIMTC-UHFFFAOYSA-N 1 0 335.795 3.086 20 5 EGBDRO C[C@H]1C[NH2+]CCC[C@H]1CNc1ccc2cc(F)cc([N+](=O)[O-])c2n1 ZINC001162455885 1382761962 /nfs/dbraw/zinc/76/19/62/1382761962.db2.gz FYMHJFANGHGMFR-AAEUAGOBSA-N 1 0 332.379 3.330 20 5 EGBDRO C[C@H]1C[NH2+]CCC[C@H]1CNc1ncc(F)c2cc([N+](=O)[O-])ccc21 ZINC001162461885 1382764413 /nfs/dbraw/zinc/76/44/13/1382764413.db2.gz RPSLCFVSXOWJRL-RYUDHWBXSA-N 1 0 332.379 3.330 20 5 EGBDRO COc1nc(-n2cc(CC[NH3+])c3c2cccc3Cl)ccc1[N+](=O)[O-] ZINC001162654243 1382822850 /nfs/dbraw/zinc/82/28/50/1382822850.db2.gz RJOBGKNQQZKPNH-UHFFFAOYSA-N 1 0 346.774 3.097 20 5 EGBDRO COC(=O)c1ccc([N+](=O)[O-])cc1-n1ccc2cc([C@@H](C)[NH3+])ccc21 ZINC001162908158 1382912392 /nfs/dbraw/zinc/91/23/92/1382912392.db2.gz KLHCFMANAIDWAN-LLVKDONJSA-N 1 0 339.351 3.345 20 5 EGBDRO COC(=O)c1ccc([N+](=O)[O-])cc1-n1ccc2cc([C@H](C)[NH3+])ccc21 ZINC001162908159 1382912412 /nfs/dbraw/zinc/91/24/12/1382912412.db2.gz KLHCFMANAIDWAN-NSHDSACASA-N 1 0 339.351 3.345 20 5 EGBDRO Cc1cc(N[C@@]23CCC[C@@H]2[NH2+]CC3)c([N+](=O)[O-])cc1Br ZINC001162987498 1382938703 /nfs/dbraw/zinc/93/87/03/1382938703.db2.gz HFIXIHLHYNAAKY-UONOGXRCSA-N 1 0 340.221 3.362 20 5 EGBDRO COc1cc(N[C@@H]2CC[NH2+][C@H]2c2ccccc2)cc([N+](=O)[O-])c1C ZINC001163216078 1382994697 /nfs/dbraw/zinc/99/46/97/1382994697.db2.gz XYJGWXDQDRBXPK-QAPCUYQASA-N 1 0 327.384 3.427 20 5 EGBDRO COc1cccc([C@@H](C[NH3+])Nc2nc(Cl)cc(C)c2[N+](=O)[O-])c1 ZINC001163306962 1383017222 /nfs/dbraw/zinc/01/72/22/1383017222.db2.gz UTMWJTCSPXAKGK-GFCCVEGCSA-N 1 0 336.779 3.072 20 5 EGBDRO O=[N+]([O-])c1cc(N[C@H]2CCO[C@]3(CC[NH2+]C3)C2)cc2ccccc21 ZINC001163332087 1383024463 /nfs/dbraw/zinc/02/44/63/1383024463.db2.gz HNXFOFXFAGXSFD-KBXCAEBGSA-N 1 0 327.384 3.071 20 5 EGBDRO COc1cnc(-n2c(C[NH3+])cc3cc(Cl)ccc32)cc1[N+](=O)[O-] ZINC001163898371 1383133777 /nfs/dbraw/zinc/13/37/77/1383133777.db2.gz WPRLDCJEYODWGA-UHFFFAOYSA-N 1 0 332.747 3.054 20 5 EGBDRO C[C@H]1CC[C@@H](C[NH3+])N(c2cc(Cl)nc3ccc([N+](=O)[O-])cc32)C1 ZINC001164072902 1383153108 /nfs/dbraw/zinc/15/31/08/1383153108.db2.gz FEAYJNKCOKHEGZ-JQWIXIFHSA-N 1 0 334.807 3.360 20 5 EGBDRO C[C@@H]1CN(c2cccc([N+](=O)[O-])n2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC001165201110 1383246267 /nfs/dbraw/zinc/24/62/67/1383246267.db2.gz JUFNQGYPPLWJHC-CABCVRRESA-N 1 0 326.400 3.089 20 5 EGBDRO CCCC(CCC)C(=O)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001165310197 1383271177 /nfs/dbraw/zinc/27/11/77/1383271177.db2.gz QQMQRBUGCDQBTI-UHFFFAOYSA-N 1 0 341.477 3.469 20 5 EGBDRO O=[N+]([O-])c1cccc2nc(N3CCCCC34CC[NH2+]CC4)ccc21 ZINC001165335782 1383276721 /nfs/dbraw/zinc/27/67/21/1383276721.db2.gz WKRNCAKMPNGPAT-UHFFFAOYSA-N 1 0 326.400 3.256 20 5 EGBDRO O=[N+]([O-])c1ccc2ccnc(N3CCCCC34CC[NH2+]CC4)c2c1 ZINC001165339262 1383277160 /nfs/dbraw/zinc/27/71/60/1383277160.db2.gz SOLKGLSBJIQKGT-UHFFFAOYSA-N 1 0 326.400 3.256 20 5 EGBDRO Cc1c(NCC2CC[NH+](C(C)C)CC2)ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001166615200 1383447371 /nfs/dbraw/zinc/44/73/71/1383447371.db2.gz AQNYHFGHRWMSKI-UHFFFAOYSA-N 1 0 336.392 3.344 20 5 EGBDRO COc1cnc(-n2c([C@@H]3CCC[NH2+]3)cc3ccccc32)c([N+](=O)[O-])c1 ZINC001166651986 1383453684 /nfs/dbraw/zinc/45/36/84/1383453684.db2.gz KVDIEGCRVWKXAR-AWEZNQCLSA-N 1 0 338.367 3.367 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)nc(-n2c3ccc(F)cc3c3c2CC[NH2+]C3)c1 ZINC001167083890 1383536168 /nfs/dbraw/zinc/53/61/68/1383536168.db2.gz CPCKXKPJKIICSH-UHFFFAOYSA-N 1 0 346.749 3.372 20 5 EGBDRO N=c1cc(C[NH3+])ccn1-c1nc2c(ccc3ccccc32)nc1Cl ZINC001167691801 1383711755 /nfs/dbraw/zinc/71/17/55/1383711755.db2.gz AFEQLJNVETYZBO-UHFFFAOYSA-N 1 0 335.798 3.165 20 5 EGBDRO CC(C)(C)C(=O)NCCC1(C[NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC001167829663 1383751863 /nfs/dbraw/zinc/75/18/63/1383751863.db2.gz PBOGUHMDTPGZKC-UHFFFAOYSA-N 1 0 339.461 3.079 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CCCc2ccc(Br)cc2)C1 ZINC001168956270 1384070398 /nfs/dbraw/zinc/07/03/98/1384070398.db2.gz DFVNSELOOYKWPO-DZGCQCFKSA-N 1 0 341.249 3.417 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CCc2cccc(Br)c2)C1 ZINC001168965254 1384072620 /nfs/dbraw/zinc/07/26/20/1384072620.db2.gz YTVVMKMGHYVANZ-JSGCOSHPSA-N 1 0 327.222 3.027 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2ccc(OC(F)(F)F)c(F)c2)C1 ZINC001168974985 1384076056 /nfs/dbraw/zinc/07/60/56/1384076056.db2.gz UDTNUSGGBDNWFZ-WDEREUQCSA-N 1 0 336.285 3.259 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H](CO)c2ccc(Cl)cc2Cl)C1 ZINC001168976752 1384077051 /nfs/dbraw/zinc/07/70/51/1384077051.db2.gz GBLLWJJFJCANIC-PUYPPJJSSA-N 1 0 333.215 3.062 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]C2(c3ccccc3Br)CC2)C1 ZINC001168985582 1384079246 /nfs/dbraw/zinc/07/92/46/1384079246.db2.gz TVKGFLLGBSSFAT-NWDGAFQWSA-N 1 0 339.233 3.473 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2cn(Cc3ccc(Cl)cc3)cn2)C1 ZINC001168990065 1384080166 /nfs/dbraw/zinc/08/01/66/1384080166.db2.gz BESVZJWDVHNJTI-GDBMZVCRSA-N 1 0 348.834 3.120 20 5 EGBDRO COc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c1OC ZINC001168996621 1384081957 /nfs/dbraw/zinc/08/19/57/1384081957.db2.gz WOHAUDYRHDOLIY-DMDPSCGWSA-N 1 0 342.823 3.453 20 5 EGBDRO COCCC1(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCC(F)(F)CC1 ZINC001168998177 1384082722 /nfs/dbraw/zinc/08/27/22/1384082722.db2.gz JDSIDDHUDMVDPH-UONOGXRCSA-N 1 0 334.407 3.254 20 5 EGBDRO Cc1cc([C@H](C)[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)ncc1Br ZINC001169006927 1384086175 /nfs/dbraw/zinc/08/61/75/1384086175.db2.gz ZTEXBDQGUVMJMD-SDDRHHMPSA-N 1 0 342.237 3.249 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCC(O)(c3ccc(Cl)cc3)CC2)C1 ZINC001169007392 1384086611 /nfs/dbraw/zinc/08/66/11/1384086611.db2.gz NCPOLBPRYFNKKB-XJKSGUPXSA-N 1 0 338.835 3.069 20 5 EGBDRO O=C1CC2(CC[NH+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)c2cc(F)ccc21 ZINC001169013989 1384090062 /nfs/dbraw/zinc/09/00/62/1384090062.db2.gz XITONBWWOUPGCU-ZFWWWQNUSA-N 1 0 346.402 3.191 20 5 EGBDRO COc1cc(C)ccc1OC1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169036442 1384096178 /nfs/dbraw/zinc/09/61/78/1384096178.db2.gz FWQKLCKCHSTZHB-HZPDHXFCSA-N 1 0 348.443 3.292 20 5 EGBDRO COc1ccccc1S[C@@H]1CC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169047460 1384100110 /nfs/dbraw/zinc/10/01/10/1384100110.db2.gz RCXKDVVQNDUFSP-RRFJBIMHSA-N 1 0 336.457 3.307 20 5 EGBDRO C[N@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001169053602 1384101192 /nfs/dbraw/zinc/10/11/92/1384101192.db2.gz JEEXMQAUUPDQNI-IPMKNSEASA-N 1 0 331.460 3.028 20 5 EGBDRO COc1nc(C)c(N[C@@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)cc1[N+](=O)[O-] ZINC001169143513 1384113378 /nfs/dbraw/zinc/11/33/78/1384113378.db2.gz KGHHWTDAEJVBFX-SJKOYZFVSA-N 1 0 336.436 3.262 20 5 EGBDRO [NH3+]Cc1cccc2c1cnn2-c1ccc2cc(F)cc([N+](=O)[O-])c2n1 ZINC001169189052 1384120784 /nfs/dbraw/zinc/12/07/84/1384120784.db2.gz PEMYMRZYLKOTLA-UHFFFAOYSA-N 1 0 337.314 3.080 20 5 EGBDRO Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1ncnc2[nH]cc([N+](=O)[O-])c21 ZINC001169683890 1384173535 /nfs/dbraw/zinc/17/35/35/1384173535.db2.gz FDDQMGFZDMCWNI-GFCCVEGCSA-N 1 0 338.371 3.106 20 5 EGBDRO COc1ccc([N+](=O)[O-])nc1N1CCC[C@H]([NH3+])c2cc(C)ccc21 ZINC001169697587 1384174742 /nfs/dbraw/zinc/17/47/42/1384174742.db2.gz NZOUQNMWIMSDOU-ZDUSSCGKSA-N 1 0 328.372 3.239 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H]2COc3ccccc3C2)c([N+](=O)[O-])c1 ZINC001170299102 1384284911 /nfs/dbraw/zinc/28/49/11/1384284911.db2.gz PUCMFZIMQQLSCS-CJNGLKHVSA-N 1 0 342.395 3.128 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+][C@@H]2COc3ccc(F)cc32)c([N+](=O)[O-])c1 ZINC001170311362 1384287630 /nfs/dbraw/zinc/28/76/30/1384287630.db2.gz AYJXHOMWRLJTFB-MEDUHNTESA-N 1 0 346.358 3.397 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H](C)c2ccc(N)cc2)c([N+](=O)[O-])c1 ZINC001170314419 1384288394 /nfs/dbraw/zinc/28/83/94/1384288394.db2.gz VIOIRNACQQIVFG-OLZOCXBDSA-N 1 0 329.400 3.467 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+]Cc2cncn2C2CCC2)c([N+](=O)[O-])c1 ZINC001170323411 1384290873 /nfs/dbraw/zinc/29/08/73/1384290873.db2.gz JNQAVHRKMDYLFI-ZDUSSCGKSA-N 1 0 344.415 3.246 20 5 EGBDRO COc1ccc(C[C@H](C)[N@@H+]2CC[C@@H](c3ccccn3)C2)c([N+](=O)[O-])c1 ZINC001170346558 1384296859 /nfs/dbraw/zinc/29/68/59/1384296859.db2.gz OFVZADBQCPTRLN-GOEBONIOSA-N 1 0 341.411 3.419 20 5 EGBDRO COc1ccc(C[C@@H](C)[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001170355508 1384299316 /nfs/dbraw/zinc/29/93/16/1384299316.db2.gz HQVYQIHDIYEHLH-DDUZABMNSA-N 1 0 334.416 3.035 20 5 EGBDRO [NH3+][C@H]1CCc2c3ccccc3n(-c3c(Cl)cncc3[N+](=O)[O-])c2C1 ZINC001171094155 1384444506 /nfs/dbraw/zinc/44/45/06/1384444506.db2.gz NIDYJAXXHMQELU-JTQLQIEISA-N 1 0 342.786 3.403 20 5 EGBDRO COC(=O)c1cccc([C@@H](C)Nc2cc3c(cc2[N+](=O)[O-])C[NH2+]C3)c1 ZINC001171106625 1384446759 /nfs/dbraw/zinc/44/67/59/1384446759.db2.gz NMHIRLUOUQCMPD-LLVKDONJSA-N 1 0 341.367 3.158 20 5 EGBDRO CCCc1occc1C(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001171106468 1384446893 /nfs/dbraw/zinc/44/68/93/1384446893.db2.gz QVOCPTFOVWVNPY-UHFFFAOYSA-N 1 0 345.399 3.050 20 5 EGBDRO CCCc1occc1C(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001171115653 1384448833 /nfs/dbraw/zinc/44/88/33/1384448833.db2.gz OVHZFICWFAZGJG-UHFFFAOYSA-N 1 0 345.399 3.050 20 5 EGBDRO Cc1c(-n2c(CC[NH3+])cc3ccccc32)ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001171305118 1384490464 /nfs/dbraw/zinc/49/04/64/1384490464.db2.gz QVWRCERGQMYCQQ-UHFFFAOYSA-N 1 0 340.339 3.257 20 5 EGBDRO O=C(NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccccc1Cl ZINC001171807347 1384643638 /nfs/dbraw/zinc/64/36/38/1384643638.db2.gz FRBDYYMWEYNHGO-UHFFFAOYSA-N 1 0 347.802 3.158 20 5 EGBDRO NC(=[NH2+])N(c1ccc(F)cc1)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172901167 1384874208 /nfs/dbraw/zinc/87/42/08/1384874208.db2.gz KIARFDRUGZXADT-OAHLLOKOSA-N 1 0 342.374 3.381 20 5 EGBDRO C[C@]1(CO)CCC[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172903687 1384874819 /nfs/dbraw/zinc/87/48/19/1384874819.db2.gz INZXJFUIPXSSPF-MJGOQNOKSA-N 1 0 332.444 3.327 20 5 EGBDRO O=C(C[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1cccc(F)c1 ZINC001172907693 1384875342 /nfs/dbraw/zinc/87/53/42/1384875342.db2.gz UUXAAFADYINONT-QGZVFWFLSA-N 1 0 342.370 3.454 20 5 EGBDRO CCOC(=O)C1CC[NH+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172905634 1384875457 /nfs/dbraw/zinc/87/54/57/1384875457.db2.gz UCOXGCQQGCGQRL-KRWDZBQOSA-N 1 0 346.427 3.117 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]CCc1ccccc1O)CC2 ZINC001172910976 1384875929 /nfs/dbraw/zinc/87/59/29/1384875929.db2.gz FPWHAURBCZTIIA-KRWDZBQOSA-N 1 0 326.396 3.380 20 5 EGBDRO C[N@H+]([C@@H]1CCC2(C1)OCCO2)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172914083 1384876983 /nfs/dbraw/zinc/87/69/83/1384876983.db2.gz ZAESDVKIVMAJCO-FUHWJXTLSA-N 1 0 346.427 3.070 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@@H](CO)c1cccs1)CC2 ZINC001172913255 1384877166 /nfs/dbraw/zinc/87/71/66/1384877166.db2.gz VDCYTYCVJXMDSS-ZBFHGGJFSA-N 1 0 332.425 3.227 20 5 EGBDRO COc1ccc(CC[NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)cn1 ZINC001172913425 1384877186 /nfs/dbraw/zinc/87/71/86/1384877186.db2.gz VSUYLQKSLXEOOA-KRWDZBQOSA-N 1 0 341.411 3.078 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH+]1CCC3(C[C@H](F)CO3)CC1)CC2 ZINC001172921831 1384879679 /nfs/dbraw/zinc/87/96/79/1384879679.db2.gz UONZPPPDYYQIJF-DLBZAZTESA-N 1 0 348.418 3.435 20 5 EGBDRO CC[C@@H](C)C[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173007736 1384897616 /nfs/dbraw/zinc/89/76/16/1384897616.db2.gz ZFJKVFCWFPWQAH-LLVKDONJSA-N 1 0 327.375 3.478 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]Cc2ncccc2C)c1F ZINC001173175611 1384931771 /nfs/dbraw/zinc/93/17/71/1384931771.db2.gz PYUKJJVECKIERA-LBPRGKRZSA-N 1 0 333.363 3.167 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]Cc2ccncc2C)c1F ZINC001173177374 1384931926 /nfs/dbraw/zinc/93/19/26/1384931926.db2.gz TVDLFQSXCTUBCG-LBPRGKRZSA-N 1 0 333.363 3.167 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CC(=O)c2ccccc2)c1F ZINC001173178120 1384931943 /nfs/dbraw/zinc/93/19/43/1384931943.db2.gz IWAXERRYIXATDJ-LBPRGKRZSA-N 1 0 346.358 3.146 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CC2(C)CCOCC2)c1F ZINC001173190161 1384933152 /nfs/dbraw/zinc/93/31/52/1384933152.db2.gz UTBKSFLZBMCFHK-LBPRGKRZSA-N 1 0 340.395 3.080 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2CCCOC(C)(C)C2)c1F ZINC001173189887 1384933514 /nfs/dbraw/zinc/93/35/14/1384933514.db2.gz OHYRSQXABUZIFB-GFCCVEGCSA-N 1 0 340.395 3.174 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@H]2CCOC(C)(C)C2)c1F ZINC001173189345 1384933620 /nfs/dbraw/zinc/93/36/20/1384933620.db2.gz OOAIPASTINEKJN-NEPJUHHUSA-N 1 0 340.395 3.221 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC(=O)Cc1ccc(F)cc1 ZINC001173221130 1384938364 /nfs/dbraw/zinc/93/83/64/1384938364.db2.gz JVGLTRHATCHETM-ZDUSSCGKSA-N 1 0 330.359 3.066 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC001173220424 1384938382 /nfs/dbraw/zinc/93/83/82/1384938382.db2.gz ADKWLXDQNPSQGH-DOMZBBRYSA-N 1 0 346.349 3.305 20 5 EGBDRO CCOC(=O)C[C@@H]1CCC[N@@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173221476 1384938437 /nfs/dbraw/zinc/93/84/37/1384938437.db2.gz ITJNIFKOGSWHNH-HOCLYGCPSA-N 1 0 334.416 3.191 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2nc(Cl)ncc2C1 ZINC001173227548 1384939885 /nfs/dbraw/zinc/93/98/85/1384939885.db2.gz QMSNSDCTKLERMD-LLVKDONJSA-N 1 0 332.791 3.028 20 5 EGBDRO COC(=O)CC[N@H+](Cc1ccco1)[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173227546 1384940049 /nfs/dbraw/zinc/94/00/49/1384940049.db2.gz QMOAITXXCXHZGA-AWEZNQCLSA-N 1 0 346.383 3.184 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@]2(C1)CC(F)(F)CO2 ZINC001173232482 1384941432 /nfs/dbraw/zinc/94/14/32/1384941432.db2.gz HDKCPVFUXCCSDR-DOMZBBRYSA-N 1 0 326.343 3.026 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@]12C[C@H]3C[C@@H](C1)C[C@](O)(C3)C2 ZINC001173234159 1384941570 /nfs/dbraw/zinc/94/15/70/1384941570.db2.gz OBKNUFGPKRTRJP-GJSASXELSA-N 1 0 330.428 3.199 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@]2(C1)CC(F)(F)CO2 ZINC001173232483 1384941631 /nfs/dbraw/zinc/94/16/31/1384941631.db2.gz HDKCPVFUXCCSDR-IUODEOHRSA-N 1 0 326.343 3.026 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(N2CCCCC2=O)CC1 ZINC001173235431 1384942091 /nfs/dbraw/zinc/94/20/91/1384942091.db2.gz WUPSATAFGRKTSR-OAHLLOKOSA-N 1 0 345.443 3.003 20 5 EGBDRO C[NH+]1CCN(Cc2ccc(Nc3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC001174478119 1385112790 /nfs/dbraw/zinc/11/27/90/1385112790.db2.gz OILFERAMQCKPJE-UHFFFAOYSA-N 1 0 326.400 3.086 20 5 EGBDRO COc1ccc(Nc2ccccc2N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC001176362392 1385564274 /nfs/dbraw/zinc/56/42/74/1385564274.db2.gz BEICTJACMWQNDL-UHFFFAOYSA-N 1 0 342.399 3.099 20 5 EGBDRO O=C(CC(C1CC1)C1CC1)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001177042545 1385782315 /nfs/dbraw/zinc/78/23/15/1385782315.db2.gz OXRBGJIBWLIQMY-UHFFFAOYSA-N 1 0 345.443 3.017 20 5 EGBDRO CCOC(=O)c1cc(N[C@H]2CCCC[C@H]2[NH+](C)C)ccc1[N+](=O)[O-] ZINC001319091902 1385958431 /nfs/dbraw/zinc/95/84/31/1385958431.db2.gz JQFQMWXOHDSEGG-GOEBONIOSA-N 1 0 335.404 3.056 20 5 EGBDRO CS[C@@H]1CC[C@H]([N@H+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC001319714895 1386265858 /nfs/dbraw/zinc/26/58/58/1386265858.db2.gz FRAXLOLKSRACOO-QWHCGFSZSA-N 1 0 338.429 3.082 20 5 EGBDRO Cc1c(C(=O)Nc2cc([N+](=O)[O-])c(F)cc2F)ccc2c[nH+]cn21 ZINC001320884750 1386747573 /nfs/dbraw/zinc/74/75/73/1386747573.db2.gz AAHVCMNFMBUIGL-UHFFFAOYSA-N 1 0 332.266 3.081 20 5 EGBDRO COC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC001321077472 1386802494 /nfs/dbraw/zinc/80/24/94/1386802494.db2.gz XMPYDJFAQGANGR-UKRRQHHQSA-N 1 0 344.367 3.286 20 5 EGBDRO CS[C@H]1CC[C@@H]([N@H+](C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC001322156342 1387079522 /nfs/dbraw/zinc/07/95/22/1387079522.db2.gz COBGDOOJXSDDDZ-OCCSQVGLSA-N 1 0 348.428 3.361 20 5 EGBDRO C[C@@H](C[NH+]1CCC(C)CC1)c1nnc(-c2cccc([N+](=O)[O-])c2N)o1 ZINC001322538332 1387202810 /nfs/dbraw/zinc/20/28/10/1387202810.db2.gz RCNXENIBVLYLBS-LBPRGKRZSA-N 1 0 345.403 3.062 20 5 EGBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@H]3CCCC[C@@H]3C2)c1 ZINC001329583005 1389166990 /nfs/dbraw/zinc/16/69/90/1389166990.db2.gz LJLFRSZAOVASQK-UKRRQHHQSA-N 1 0 332.400 3.394 20 5 EGBDRO Cc1cc(C)c(OC(=O)c2ccc3c[nH+]cn3c2C)c([N+](=O)[O-])c1 ZINC001337627111 1389403027 /nfs/dbraw/zinc/40/30/27/1389403027.db2.gz YPSLOXKICQCELS-UHFFFAOYSA-N 1 0 325.324 3.387 20 5 EGBDRO Cc1c(CNc2ccc(N3CC[NH+](C)CC3)cc2)cccc1[N+](=O)[O-] ZINC001330792564 1389529296 /nfs/dbraw/zinc/52/92/96/1389529296.db2.gz DZAJFXALTVMVQA-UHFFFAOYSA-N 1 0 340.427 3.267 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(C[NH2+]C[C@H]2C[C@H](O)C2)o1 ZINC001331083798 1389624924 /nfs/dbraw/zinc/62/49/24/1389624924.db2.gz RCBPKQFMFOEZOK-UMSPYCQHSA-N 1 0 336.775 3.369 20 5 EGBDRO C[C@@H](NC(=O)CC[C@H]([NH3+])c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC001341107578 1390441335 /nfs/dbraw/zinc/44/13/35/1390441335.db2.gz GVXBKVOXFUEASZ-DYVFJYSZSA-N 1 0 327.384 3.252 20 5 EGBDRO CC[N@H+](CCCNC(=O)c1cocc1C)Cc1ccccc1[N+](=O)[O-] ZINC001752205095 1440154134 /nfs/dbraw/zinc/15/41/34/1440154134.db2.gz UAKGTUORBJHDGC-UHFFFAOYSA-N 1 0 345.399 3.138 20 5 EGBDRO O=[N+]([O-])c1cc(N2CCCC[C@H]2CC[NH+]2CCCC2)nc2[nH]ccc21 ZINC001165050387 721973538 /nfs/dbraw/zinc/97/35/38/721973538.db2.gz WIYBTVKQMXPUMP-AWEZNQCLSA-N 1 0 343.431 3.316 20 5 EGBDRO CC[NH+](CC)C1CCN(c2ccc([N+](=O)[O-])c(OC(C)C)n2)CC1 ZINC001165054565 722006403 /nfs/dbraw/zinc/00/64/03/722006403.db2.gz RDBKWSPDFFBEIR-UHFFFAOYSA-N 1 0 336.436 3.088 20 5 EGBDRO CCC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000054806280 214256068 /nfs/dbraw/zinc/25/60/68/214256068.db2.gz JIWQRNTUZQCEIU-NSHDSACASA-N 1 0 340.811 3.102 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000055928084 214349161 /nfs/dbraw/zinc/34/91/61/214349161.db2.gz ZXZHRQZVHBKUAA-MRXNPFEDSA-N 1 0 347.415 3.197 20 5 EGBDRO Cc1ncc2c(n1)CC[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)C2 ZINC000370671727 282174062 /nfs/dbraw/zinc/17/40/62/282174062.db2.gz WYLXBPJCTXRMPI-DOMZBBRYSA-N 1 0 326.400 3.210 20 5 EGBDRO CC[C@H]([NH2+]CC1(C(=O)N(C)C)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000165128456 529590991 /nfs/dbraw/zinc/59/09/91/529590991.db2.gz MIYVFNUMIMFPRR-INIZCTEOSA-N 1 0 333.432 3.284 20 5 EGBDRO CCc1nn(C)c(NCc2cccc(C[NH+]3CCCC3)c2)c1[N+](=O)[O-] ZINC000179567809 529767697 /nfs/dbraw/zinc/76/76/97/529767697.db2.gz HGDADIQZFQSSJM-UHFFFAOYSA-N 1 0 343.431 3.099 20 5 EGBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1ccc([S@@](C)=O)cc1 ZINC000178429643 529933290 /nfs/dbraw/zinc/93/32/90/529933290.db2.gz WOGYVYOTBLHEDZ-HSZRJFAPSA-N 1 0 332.425 3.007 20 5 EGBDRO Cc1ccc([C@@H](C)NC(=O)c2ccc(C[NH+](C)C)cc2)cc1[N+](=O)[O-] ZINC000177856921 232013983 /nfs/dbraw/zinc/01/39/83/232013983.db2.gz XASSZRUSZZJGEG-CQSZACIVSA-N 1 0 341.411 3.456 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)COCc2ccccc2)cc1[N+](=O)[O-] ZINC000178653354 232341339 /nfs/dbraw/zinc/34/13/39/232341339.db2.gz SCKKXVPRRRJDSB-QAPCUYQASA-N 1 0 344.411 3.132 20 5 EGBDRO CCSCC[C@H](C)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000072900318 216326268 /nfs/dbraw/zinc/32/62/68/216326268.db2.gz KJDJQQYHJORKKJ-ZDUSSCGKSA-N 1 0 339.461 3.305 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCCOC[C@H]1CCCO1)CCC2 ZINC000192620482 239805455 /nfs/dbraw/zinc/80/54/55/239805455.db2.gz VXTWIXAFLYPGKN-SJLPKXTDSA-N 1 0 334.416 3.148 20 5 EGBDRO CC(C)[NH+](CCCNC(=O)c1cc([N+](=O)[O-])ccc1Cl)C(C)C ZINC000074828781 216525347 /nfs/dbraw/zinc/52/53/47/216525347.db2.gz JEZIRAAKNGQONP-UHFFFAOYSA-N 1 0 341.839 3.487 20 5 EGBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000375463825 242057851 /nfs/dbraw/zinc/05/78/51/242057851.db2.gz GIAHYKDNDGYBAG-SMDDNHRTSA-N 1 0 328.372 3.406 20 5 EGBDRO Cc1ccc([C@H]([NH3+])C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000262692953 245126632 /nfs/dbraw/zinc/12/66/32/245126632.db2.gz ZZZHKLQWAUHXMG-SFHVURJKSA-N 1 0 341.411 3.042 20 5 EGBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000080160872 217283864 /nfs/dbraw/zinc/28/38/64/217283864.db2.gz QIZJAOUSHHWXJF-CQSZACIVSA-N 1 0 334.420 3.099 20 5 EGBDRO C[NH+](C)CCC1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000264920105 247047628 /nfs/dbraw/zinc/04/76/28/247047628.db2.gz PLCUVAAPINFJGD-UHFFFAOYSA-N 1 0 345.399 3.145 20 5 EGBDRO C[C@H](CC[NH+](C)C)NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000264937946 247063698 /nfs/dbraw/zinc/06/36/98/247063698.db2.gz DXZNPGGUSRLXTN-GFCCVEGCSA-N 1 0 334.445 3.148 20 5 EGBDRO CC(C)[C@H](CCO)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000266124348 248114336 /nfs/dbraw/zinc/11/43/36/248114336.db2.gz BCHOFUMSQHRMOL-HNNXBMFYSA-N 1 0 335.429 3.215 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CC[C@H]([NH+]3CCCCC3)C2)cc1OC(F)F ZINC000266418414 248290778 /nfs/dbraw/zinc/29/07/78/248290778.db2.gz RSICUFJKMVXWPB-ZDUSSCGKSA-N 1 0 341.358 3.261 20 5 EGBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC000153244614 224078630 /nfs/dbraw/zinc/07/86/30/224078630.db2.gz UIDZSPWBKOEEPF-MRVWCRGKSA-N 1 0 328.372 3.438 20 5 EGBDRO C[N@@H+]1CCC[C@@H]2CN(c3ccc([N+](=O)[O-])c(OC(F)F)c3)CC[C@@H]21 ZINC000268796084 252247492 /nfs/dbraw/zinc/24/74/92/252247492.db2.gz BTUDCPDBFLJMHN-YPMHNXCESA-N 1 0 341.358 3.117 20 5 EGBDRO COc1cccc2c1CC[C@@H]2[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000268853602 252300882 /nfs/dbraw/zinc/30/08/82/252300882.db2.gz HPYHSARLTKETMX-INIZCTEOSA-N 1 0 328.368 3.389 20 5 EGBDRO O=[N+]([O-])c1cc(F)c(N2CCC[C@@H]([NH+]3CCCC3)CC2)c(F)c1 ZINC000121736528 285093871 /nfs/dbraw/zinc/09/38/71/285093871.db2.gz RBCFMBBAFZYSPD-GFCCVEGCSA-N 1 0 325.359 3.328 20 5 EGBDRO Cc1nc(NC2CC[NH+]([C@H](C)c3ccncc3)CC2)ccc1[N+](=O)[O-] ZINC000119269890 221280786 /nfs/dbraw/zinc/28/07/86/221280786.db2.gz DDHIBLWBZQXURO-CQSZACIVSA-N 1 0 341.415 3.331 20 5 EGBDRO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181655501 533292241 /nfs/dbraw/zinc/29/22/41/533292241.db2.gz NPTSKMJREPHZOJ-OLZOCXBDSA-N 1 0 349.406 3.117 20 5 EGBDRO C[C@@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@@H](C)c1ccccc1 ZINC000181526440 533344822 /nfs/dbraw/zinc/34/48/22/533344822.db2.gz SXAVMVCGYCEQJA-HUUCEWRRSA-N 1 0 341.411 3.339 20 5 EGBDRO COc1ccc(C[NH2+]Cc2ccccc2-n2cccn2)cc1[N+](=O)[O-] ZINC000237447138 141002768 /nfs/dbraw/zinc/00/27/68/141002768.db2.gz RYLXLJZLFJBFAB-UHFFFAOYSA-N 1 0 338.367 3.079 20 5 EGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](Cc2nccn2C)C1 ZINC000246572559 141016050 /nfs/dbraw/zinc/01/60/50/141016050.db2.gz BXOAWVKUPJIYSO-CABCVRRESA-N 1 0 328.416 3.344 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)c1 ZINC000173196474 144036819 /nfs/dbraw/zinc/03/68/19/144036819.db2.gz OKAZGJWGIIGNEH-KDOFPFPSSA-N 1 0 333.432 3.144 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000175253394 144061163 /nfs/dbraw/zinc/06/11/63/144061163.db2.gz UUPJQSSZKWRWPY-KRWDZBQOSA-N 1 0 347.459 3.444 20 5 EGBDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccccc2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000178656416 144073720 /nfs/dbraw/zinc/07/37/20/144073720.db2.gz PPFXARYTNVKMTL-KBXCAEBGSA-N 1 0 339.395 3.441 20 5 EGBDRO C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H]1COc2ccccc21 ZINC000185578591 144114941 /nfs/dbraw/zinc/11/49/41/144114941.db2.gz COPJJTXLFCLKLY-FZMZJTMJSA-N 1 0 339.351 3.390 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H](O)C(F)F)s2)cc1 ZINC000344765342 144221727 /nfs/dbraw/zinc/22/17/27/144221727.db2.gz WLCLAIXBLDNRDB-GFCCVEGCSA-N 1 0 328.340 3.039 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCCOC[C@@H]1CCOC1 ZINC000344790442 144224805 /nfs/dbraw/zinc/22/48/05/144224805.db2.gz IZBTXPGCQCRKIE-MJSCBBHESA-N 1 0 334.416 3.031 20 5 EGBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H](c3ccc(F)cc3)CC2)c1 ZINC000351200291 144259225 /nfs/dbraw/zinc/25/92/25/144259225.db2.gz JIJYPXGXHSZYRG-CQSZACIVSA-N 1 0 332.379 3.200 20 5 EGBDRO Cc1c(NC(=O)CC[NH+](CC2CC2)CC2CC2)cccc1[N+](=O)[O-] ZINC000115563909 152018485 /nfs/dbraw/zinc/01/84/85/152018485.db2.gz IORWPTUIDXFXJP-UHFFFAOYSA-N 1 0 331.416 3.354 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2csc(-c3ccccn3)n2)cc1 ZINC000194415915 153336679 /nfs/dbraw/zinc/33/66/79/153336679.db2.gz JCDZOUIDWDTQBE-UHFFFAOYSA-N 1 0 340.408 3.446 20 5 EGBDRO CC1CC[NH+](CCNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000322939476 154170535 /nfs/dbraw/zinc/17/05/35/154170535.db2.gz PENRZQOSYHDHND-UHFFFAOYSA-N 1 0 332.326 3.152 20 5 EGBDRO Cc1nc(CC[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)c(C)o1 ZINC000346835273 156158360 /nfs/dbraw/zinc/15/83/60/156158360.db2.gz UYXZSKDBQWCPEW-UHFFFAOYSA-N 1 0 341.314 3.133 20 5 EGBDRO COc1ccc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])c(Cl)c1 ZINC000348890849 156277768 /nfs/dbraw/zinc/27/77/68/156277768.db2.gz FPWYFMBRNBXWOW-UHFFFAOYSA-N 1 0 335.791 3.222 20 5 EGBDRO [NH3+]CCN(Cc1ccccc1OC(F)F)c1ccccc1[N+](=O)[O-] ZINC000348903164 156281938 /nfs/dbraw/zinc/28/19/38/156281938.db2.gz GIIOVKMZAQTTGK-UHFFFAOYSA-N 1 0 337.326 3.162 20 5 EGBDRO Cc1ccc(NC(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000362119219 157030636 /nfs/dbraw/zinc/03/06/36/157030636.db2.gz STGDBVGKQGOLNF-OAHLLOKOSA-N 1 0 346.431 3.099 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000372519812 157346109 /nfs/dbraw/zinc/34/61/09/157346109.db2.gz BFSZKGXWTRGABF-OAHLLOKOSA-N 1 0 346.431 3.304 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+]3CC[C@]4(CCOC4)C3)cs2)c1 ZINC000093819968 162030708 /nfs/dbraw/zinc/03/07/08/162030708.db2.gz AZOVXVZGLYWGTR-KRWDZBQOSA-N 1 0 345.424 3.331 20 5 EGBDRO CCN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)Cc1ccccn1 ZINC000125378014 162271198 /nfs/dbraw/zinc/27/11/98/162271198.db2.gz WIWAULUYBQZCNM-UHFFFAOYSA-N 1 0 339.355 3.062 20 5 EGBDRO COCC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)C(C)(C)C ZINC000337950083 163194777 /nfs/dbraw/zinc/19/47/77/163194777.db2.gz OXNUVFDHZYQNNO-OAHLLOKOSA-N 1 0 338.404 3.002 20 5 EGBDRO CC(C)[C@H](C(=O)N(C)CCc1cccc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000338330552 163212945 /nfs/dbraw/zinc/21/29/45/163212945.db2.gz KIWGOGKFURUWQU-GOSISDBHSA-N 1 0 347.459 3.106 20 5 EGBDRO CSc1ccc([C@H](CNc2ncccc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000338835526 163359025 /nfs/dbraw/zinc/35/90/25/163359025.db2.gz HVWAVPATPCYCRR-HNNXBMFYSA-N 1 0 332.429 3.427 20 5 EGBDRO CC(C)(C)OCCCC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000354730637 166018754 /nfs/dbraw/zinc/01/87/54/166018754.db2.gz KOISHVXVYBRADZ-CQSZACIVSA-N 1 0 336.436 3.071 20 5 EGBDRO COc1ccc(-c2ccc(C[NH+]3CC4(C3)CCOC4)o2)c([N+](=O)[O-])c1 ZINC000354774859 166028161 /nfs/dbraw/zinc/02/81/61/166028161.db2.gz SBUJVMCWVUPQTE-UHFFFAOYSA-N 1 0 344.367 3.086 20 5 EGBDRO CCOCC[N@H+](C)Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000354775845 166028813 /nfs/dbraw/zinc/02/88/13/166028813.db2.gz BPRVPQVJASVETN-UHFFFAOYSA-N 1 0 334.372 3.332 20 5 EGBDRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000345680594 164241607 /nfs/dbraw/zinc/24/16/07/164241607.db2.gz FQCYWAHXMOEACX-IIYDPXPESA-N 1 0 349.456 3.042 20 5 EGBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCc2ccccc2C1 ZINC000346177723 164356985 /nfs/dbraw/zinc/35/69/85/164356985.db2.gz ACUMRQUNXNMGCI-CQSZACIVSA-N 1 0 339.395 3.370 20 5 EGBDRO C[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1F)[N@@H+]1CCCC[C@H]1C ZINC000351653877 165117988 /nfs/dbraw/zinc/11/79/88/165117988.db2.gz DAZPLHGLTGJEOX-VXGBXAGGSA-N 1 0 338.383 3.118 20 5 EGBDRO CC[N@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])[C@H]1CCOC(C)(C)C1 ZINC000351948284 165162824 /nfs/dbraw/zinc/16/28/24/165162824.db2.gz CRERTDNGOFRXOS-AWEZNQCLSA-N 1 0 349.431 3.121 20 5 EGBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@]2(CO)Cc2ccccc2)cc1 ZINC000355356580 166173062 /nfs/dbraw/zinc/17/30/62/166173062.db2.gz RJURKKALMZEQFK-LJQANCHMSA-N 1 0 326.396 3.164 20 5 EGBDRO C[NH+](C)[C@@]1(CNc2ccc([N+](=O)[O-])cc2C(F)(F)F)CCSC1 ZINC000358995321 167032077 /nfs/dbraw/zinc/03/20/77/167032077.db2.gz DEGLVOYFVXZFGA-CYBMUJFWSA-N 1 0 349.378 3.463 20 5 EGBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)N1Cc2ccccc2C1 ZINC000359045521 167047630 /nfs/dbraw/zinc/04/76/30/167047630.db2.gz IOZPVACIFGPLRB-UONOGXRCSA-N 1 0 339.395 3.176 20 5 EGBDRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000359323182 167125633 /nfs/dbraw/zinc/12/56/33/167125633.db2.gz PVFHEZLQYVEMEK-ZDUSSCGKSA-N 1 0 344.415 3.070 20 5 EGBDRO C[C@H]([NH2+][C@@H]1CC(=O)N(c2ccccc2F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000359394225 167144626 /nfs/dbraw/zinc/14/46/26/167144626.db2.gz KYZLYWGOLJZXMB-GXTWGEPZSA-N 1 0 343.358 3.190 20 5 EGBDRO CCC1(CC)[C@H]([NH2+][C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1OC ZINC000359422989 167152400 /nfs/dbraw/zinc/15/24/00/167152400.db2.gz WRJLHJNHCIHHHD-WQVCFCJDSA-N 1 0 349.431 3.105 20 5 EGBDRO CC[C@H](C)[NH2+][C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000359548956 167188526 /nfs/dbraw/zinc/18/85/26/167188526.db2.gz VIBSCYKSLYXKFN-WFASDCNBSA-N 1 0 331.372 3.047 20 5 EGBDRO Cc1ccc(C(=O)N[C@@H](C[NH+](C)C)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000359818038 167240438 /nfs/dbraw/zinc/24/04/38/167240438.db2.gz ICGZPNJLPATLHD-INIZCTEOSA-N 1 0 345.374 3.075 20 5 EGBDRO COc1cccc2c1CC[N@H+](CCOc1cccc([N+](=O)[O-])c1)C2 ZINC000359863739 167252402 /nfs/dbraw/zinc/25/24/02/167252402.db2.gz XJZGVBSVGXREQS-UHFFFAOYSA-N 1 0 328.368 3.041 20 5 EGBDRO COc1cc(C[NH2+][C@@H]2CCCc3c(O)cccc32)ccc1[N+](=O)[O-] ZINC000361931998 167703029 /nfs/dbraw/zinc/70/30/29/167703029.db2.gz ZYPSUZWWDWIZHR-OAHLLOKOSA-N 1 0 328.368 3.476 20 5 EGBDRO O=C(NCC[NH2+]C1CCCCCC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000159646141 225253473 /nfs/dbraw/zinc/25/34/73/225253473.db2.gz BPWOPIQDIGMYAO-UHFFFAOYSA-N 1 0 339.823 3.290 20 5 EGBDRO CO[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000162164824 264904491 /nfs/dbraw/zinc/90/44/91/264904491.db2.gz ULSCPHWKMKQCTA-DGCLKSJQSA-N 1 0 329.194 3.014 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@H](C)C1CCCCC1 ZINC000174142954 265028248 /nfs/dbraw/zinc/02/82/48/265028248.db2.gz RJVBBVQFJKABOT-CHWSQXEVSA-N 1 0 349.431 3.489 20 5 EGBDRO C[C@H](NC(=O)N(CC[NH+](C)C)C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000176830334 265208631 /nfs/dbraw/zinc/20/86/31/265208631.db2.gz XIVWDJHLFYMQPI-AWEZNQCLSA-N 1 0 348.447 3.172 20 5 EGBDRO C[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000178775014 265340336 /nfs/dbraw/zinc/34/03/36/265340336.db2.gz IWDWSPIUIWDMBT-SOUVJXGZSA-N 1 0 333.432 3.205 20 5 EGBDRO CC(C)(CC[NH+]1CCCCCC1)NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000186826552 265556780 /nfs/dbraw/zinc/55/67/80/265556780.db2.gz UOVPLDVQRBLJNG-UHFFFAOYSA-N 1 0 347.459 3.298 20 5 EGBDRO CC(C)N(CC[NH+](C)C)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000269743845 266351708 /nfs/dbraw/zinc/35/17/08/266351708.db2.gz XXIBJVMGIMXGRY-UHFFFAOYSA-N 1 0 347.337 3.026 20 5 EGBDRO CCC(C)(C)[NH2+][C@@H](C)C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000273245972 267004140 /nfs/dbraw/zinc/00/41/40/267004140.db2.gz VDPCEVNMCHUUDM-NSHDSACASA-N 1 0 341.839 3.373 20 5 EGBDRO COc1cccc(NCc2ccc(CC[NH+](C)C)cc2)c1[N+](=O)[O-] ZINC000276318529 267518378 /nfs/dbraw/zinc/51/83/78/267518378.db2.gz OFITYZNOBCIAAY-UHFFFAOYSA-N 1 0 329.400 3.320 20 5 EGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCOCC(F)F ZINC000276516986 267565237 /nfs/dbraw/zinc/56/52/37/267565237.db2.gz BOXBTPUBDNNORN-LLVKDONJSA-N 1 0 334.388 3.337 20 5 EGBDRO CO[C@H]1C[C@H](CN(C)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])[N@H+](C)C1 ZINC000343298946 274084656 /nfs/dbraw/zinc/08/46/56/274084656.db2.gz ACFNDQXXMNJNOU-MNOVXSKESA-N 1 0 348.230 3.057 20 5 EGBDRO COc1ccc(C[NH2+][C@@H]2CCCc3c(O)cccc32)cc1[N+](=O)[O-] ZINC000191665948 274110777 /nfs/dbraw/zinc/11/07/77/274110777.db2.gz BUVFUPLPBWGPLL-OAHLLOKOSA-N 1 0 328.368 3.476 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2noc(C[NH+]3CCC(C4CC4)CC3)n2)cc1 ZINC000366444434 275034847 /nfs/dbraw/zinc/03/48/47/275034847.db2.gz RMDXLWFZOJJHFX-UHFFFAOYSA-N 1 0 328.372 3.267 20 5 EGBDRO CC(C)[N@H+](CCC(=O)N1CCCCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064349975 275150590 /nfs/dbraw/zinc/15/05/90/275150590.db2.gz OQHVDXXKVXXFIU-UHFFFAOYSA-N 1 0 333.432 3.208 20 5 EGBDRO C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2Br)CC[N@@H+]1C ZINC000090795072 275153414 /nfs/dbraw/zinc/15/34/14/275153414.db2.gz LMFPUPIBWRLKLS-ZJUUUORDSA-N 1 0 328.210 3.252 20 5 EGBDRO COc1cc(N2CCC(CCC[NH+](C)C)CC2)c(F)cc1[N+](=O)[O-] ZINC000271068758 275237664 /nfs/dbraw/zinc/23/76/64/275237664.db2.gz DHCWMEOQCCNYIY-UHFFFAOYSA-N 1 0 339.411 3.301 20 5 EGBDRO CCOc1cc(C[N@@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)ccc1[N+](=O)[O-] ZINC000276898972 275253889 /nfs/dbraw/zinc/25/38/89/275253889.db2.gz LJDVGZPAWZJEQS-YOEHRIQHSA-N 1 0 344.415 3.273 20 5 EGBDRO C[C@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CN1C1CC1 ZINC000278686545 275265649 /nfs/dbraw/zinc/26/56/49/275265649.db2.gz IMERNNJLMZIOBQ-GWCFXTLKSA-N 1 0 343.349 3.328 20 5 EGBDRO C[C@H]([NH2+]Cc1ccnc(N2CCCC2)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283897198 275759359 /nfs/dbraw/zinc/75/93/59/275759359.db2.gz CSDMGQGCPNQEOL-ZDUSSCGKSA-N 1 0 341.415 3.023 20 5 EGBDRO Cc1cc(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])n(C)n1 ZINC000284119942 275775787 /nfs/dbraw/zinc/77/57/87/275775787.db2.gz CMXIPDASGWPLTB-YOEHRIQHSA-N 1 0 328.416 3.138 20 5 EGBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000286483162 276006050 /nfs/dbraw/zinc/00/60/50/276006050.db2.gz WURNVNKBUKTJBP-CJNGLKHVSA-N 1 0 326.400 3.206 20 5 EGBDRO CCC(=O)c1ccc(N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)c([N+](=O)[O-])c1 ZINC000286562114 276016953 /nfs/dbraw/zinc/01/69/53/276016953.db2.gz WYELFFYGYPEKJQ-UKRRQHHQSA-N 1 0 331.416 3.251 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000289100569 276290808 /nfs/dbraw/zinc/29/08/08/276290808.db2.gz PQVSNDSIPMTSQP-YIONKMFJSA-N 1 0 346.431 3.301 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H](C2CC2)C1 ZINC000289394425 276332460 /nfs/dbraw/zinc/33/24/60/276332460.db2.gz KKBMBRWUTHUKQE-CQSZACIVSA-N 1 0 347.415 3.054 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000289859760 276407645 /nfs/dbraw/zinc/40/76/45/276407645.db2.gz QXRAHLDXFFMTJT-XJKSGUPXSA-N 1 0 346.431 3.248 20 5 EGBDRO COc1ncccc1CC[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000290268824 276473301 /nfs/dbraw/zinc/47/33/01/276473301.db2.gz WABMBDWHQGDUTG-CQSZACIVSA-N 1 0 329.400 3.152 20 5 EGBDRO C[C@@H](CC[S@](C)=O)[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290935639 276562809 /nfs/dbraw/zinc/56/28/09/276562809.db2.gz SNPZOCAIXNNDJG-FHZGZLOMSA-N 1 0 339.244 3.148 20 5 EGBDRO CC[NH+]1CCC(NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000291413508 276640493 /nfs/dbraw/zinc/64/04/93/276640493.db2.gz GVMSGXIVGVXJRQ-UHFFFAOYSA-N 1 0 346.214 3.116 20 5 EGBDRO CC(C)(NC(=O)NCCC[NH+]1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000291742262 276684573 /nfs/dbraw/zinc/68/45/73/276684573.db2.gz SIHNBOFVXKHOOT-UHFFFAOYSA-N 1 0 348.447 3.005 20 5 EGBDRO CC(C)c1ccc(C[NH2+][C@@H](C2CC2)[C@]2(CO)CCCO2)cc1[N+](=O)[O-] ZINC000354724084 278037281 /nfs/dbraw/zinc/03/72/81/278037281.db2.gz RRTAFNOYLGSSHH-RBUKOAKNSA-N 1 0 348.443 3.128 20 5 EGBDRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000262771041 278316625 /nfs/dbraw/zinc/31/66/25/278316625.db2.gz UOBTZDOMNKRRRG-ZWNOBZJWSA-N 1 0 333.413 3.151 20 5 EGBDRO O=[N+]([O-])c1cc2c(ncnc2N2CCC[C@@H]2C[NH+]2CCCCC2)s1 ZINC000376462395 280361300 /nfs/dbraw/zinc/36/13/00/280361300.db2.gz PWBYKFQGFHAQPM-GFCCVEGCSA-N 1 0 347.444 3.054 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000094032063 280397839 /nfs/dbraw/zinc/39/78/39/280397839.db2.gz WASSMHLNGXNVEJ-CYBMUJFWSA-N 1 0 347.459 3.372 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]([NH+](C)C)Cc2ccccc21 ZINC000067207444 281016476 /nfs/dbraw/zinc/01/64/76/281016476.db2.gz JIJCDFUICCFPTA-INIZCTEOSA-N 1 0 339.395 3.036 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(N2CCC[C@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)c1 ZINC000338650575 295254018 /nfs/dbraw/zinc/25/40/18/295254018.db2.gz NSNGSHCFHAEVEH-ZNMIVQPWSA-N 1 0 333.432 3.445 20 5 EGBDRO Cc1c(C(=O)N(CC(C)C)C2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000053222763 300914157 /nfs/dbraw/zinc/91/41/57/300914157.db2.gz PFZCDLDEZDHMMY-UHFFFAOYSA-N 1 0 333.432 3.096 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(N2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000413536140 309036378 /nfs/dbraw/zinc/03/63/78/309036378.db2.gz VBMAMACNGGADEW-HNNXBMFYSA-N 1 0 326.400 3.009 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000067452455 307365671 /nfs/dbraw/zinc/36/56/71/307365671.db2.gz JBZAHNMQAYXDEE-KDOFPFPSSA-N 1 0 339.395 3.359 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000067452457 307365780 /nfs/dbraw/zinc/36/57/80/307365780.db2.gz JBZAHNMQAYXDEE-KSSFIOAISA-N 1 0 339.395 3.359 20 5 EGBDRO CC[NH+](CC)CCC[C@@H](C)Nc1nc2sccn2c1[N+](=O)[O-] ZINC000070789775 307376993 /nfs/dbraw/zinc/37/69/93/307376993.db2.gz ZFTKHLUEGSQSKY-LLVKDONJSA-N 1 0 325.438 3.226 20 5 EGBDRO CCCNC(=O)C1([NH2+]Cc2cccc([N+](=O)[O-])c2C)CCCCC1 ZINC000078655405 307420327 /nfs/dbraw/zinc/42/03/27/307420327.db2.gz DVEJKOIWYNPCOL-UHFFFAOYSA-N 1 0 333.432 3.222 20 5 EGBDRO CC[NH+](CC)[C@H](CNC(=O)c1ccc(F)cc1[N+](=O)[O-])CC(C)C ZINC000132510300 307658961 /nfs/dbraw/zinc/65/89/61/307658961.db2.gz RDWLHPWUAGPZSH-AWEZNQCLSA-N 1 0 339.411 3.220 20 5 EGBDRO CCC[C@@H]([NH2+]CCC(C)(C)S(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000414256137 309069008 /nfs/dbraw/zinc/06/90/08/309069008.db2.gz LBFMTBNMINSXAK-OAHLLOKOSA-N 1 0 342.461 3.239 20 5 EGBDRO CC1(C)C[C@H]([NH2+][C@@H]2CCCC(F)(F)[C@H]2O)c2cc([N+](=O)[O-])ccc21 ZINC000414294795 309071112 /nfs/dbraw/zinc/07/11/12/309071112.db2.gz FAPSUMQWRVSLKJ-ILXRZTDVSA-N 1 0 340.370 3.456 20 5 EGBDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000255328858 308046609 /nfs/dbraw/zinc/04/66/09/308046609.db2.gz OMORBXAYCQMVPJ-QYMJWVLRSA-N 1 0 333.432 3.235 20 5 EGBDRO C[C@@H]([NH2+]C[C@H](c1ccco1)N1CCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293720392 308155837 /nfs/dbraw/zinc/15/58/37/308155837.db2.gz MLVFFGJRSXYHKZ-CXAGYDPISA-N 1 0 344.415 3.258 20 5 EGBDRO O=C(NCCCCC[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000293931434 308175217 /nfs/dbraw/zinc/17/52/17/308175217.db2.gz MXUGOTZIEULRJH-UHFFFAOYSA-N 1 0 339.823 3.244 20 5 EGBDRO CSc1ccc([C@@H](CNc2ncc([N+](=O)[O-])s2)[NH+](C)C)cc1 ZINC000293969576 308178946 /nfs/dbraw/zinc/17/89/46/308178946.db2.gz HRALOHLWPJVGNY-GFCCVEGCSA-N 1 0 338.458 3.488 20 5 EGBDRO CC(C)c1nnc(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])[nH]1 ZINC000294700937 308247538 /nfs/dbraw/zinc/24/75/38/308247538.db2.gz DAYKBCRHCHKQHE-HIFRSBDPSA-N 1 0 343.431 3.337 20 5 EGBDRO C[C@@H](CCC[NH3+])NC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000295221594 308304547 /nfs/dbraw/zinc/30/45/47/308304547.db2.gz MTMFVYUBTPDYQH-ZDUSSCGKSA-N 1 0 343.383 3.244 20 5 EGBDRO C[C@@H](CCC[NH3+])NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000295284593 308310901 /nfs/dbraw/zinc/31/09/01/308310901.db2.gz TWYQPLILUTXDTN-ZDUSSCGKSA-N 1 0 342.399 3.196 20 5 EGBDRO C[C@@H]1[C@@H](CO)CCC[N@@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000414589426 309091042 /nfs/dbraw/zinc/09/10/42/309091042.db2.gz WPUNRZILZKATRI-TZMCWYRMSA-N 1 0 347.440 3.311 20 5 EGBDRO O=[N+]([O-])c1ccc2c(ccnc2NC2CC[NH+](CC3CC3)CC2)c1 ZINC000295626202 308344948 /nfs/dbraw/zinc/34/49/48/308344948.db2.gz WWLHCDFMOWQRDX-UHFFFAOYSA-N 1 0 326.400 3.429 20 5 EGBDRO COC1(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000296040327 308387265 /nfs/dbraw/zinc/38/72/65/308387265.db2.gz NZPCVFBIIDOKMI-UHFFFAOYSA-N 1 0 344.415 3.044 20 5 EGBDRO O=[N+]([O-])c1cc(F)c(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)c(F)c1 ZINC000296138031 308397542 /nfs/dbraw/zinc/39/75/42/308397542.db2.gz XBJTYSSJZIHDSQ-IUIKQTSFSA-N 1 0 338.354 3.310 20 5 EGBDRO Cc1ccc(NC(=O)NC2CC[NH+](C3CCC3)CC2)cc1[N+](=O)[O-] ZINC000296138535 308397610 /nfs/dbraw/zinc/39/76/10/308397610.db2.gz IVQIWXATOZRWDZ-UHFFFAOYSA-N 1 0 332.404 3.042 20 5 EGBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)[C@@H]1SC ZINC000297643998 308552624 /nfs/dbraw/zinc/55/26/24/308552624.db2.gz MWOQSCMZOWTASS-MCIONIFRSA-N 1 0 330.837 3.247 20 5 EGBDRO Cc1ccc([C@H](CNc2nccc(C)c2[N+](=O)[O-])[NH+]2CCCC2)o1 ZINC000301298067 308695456 /nfs/dbraw/zinc/69/54/56/308695456.db2.gz PUPXWRWAEVSNLJ-AWEZNQCLSA-N 1 0 330.388 3.449 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1NC[C@H](c1ccco1)[NH+]1CCCC1)CCN2 ZINC000302443209 308737378 /nfs/dbraw/zinc/73/73/78/308737378.db2.gz NOGHHULDZXUMCD-MRXNPFEDSA-N 1 0 342.399 3.405 20 5 EGBDRO C[C@H](C[NH+]1CCCCC1)Nc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000323682891 308768807 /nfs/dbraw/zinc/76/88/07/308768807.db2.gz HPIHVHKYBGYPGH-SNVBAGLBSA-N 1 0 332.326 3.295 20 5 EGBDRO C[NH+](C)CC1(Nc2ccc(Br)cc2[N+](=O)[O-])CCC1 ZINC000359294390 308892441 /nfs/dbraw/zinc/89/24/41/308892441.db2.gz GFUWQCZYARXVNO-UHFFFAOYSA-N 1 0 328.210 3.254 20 5 EGBDRO CCc1cnccc1[C@@H](C)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000361136600 308896045 /nfs/dbraw/zinc/89/60/45/308896045.db2.gz RBIFOLRKBYQUNA-CYBMUJFWSA-N 1 0 342.399 3.150 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+](CC1CC1)CC1CC1 ZINC000411372531 308936177 /nfs/dbraw/zinc/93/61/77/308936177.db2.gz DKQZRFHYBCRKCU-UHFFFAOYSA-N 1 0 347.415 3.054 20 5 EGBDRO O=[N+]([O-])c1ccc2ccnc(N3CC[C@@H](C[NH+]4CCCCC4)C3)c2c1 ZINC000413177944 309019925 /nfs/dbraw/zinc/01/99/25/309019925.db2.gz STWBVONFGOOKCW-HNNXBMFYSA-N 1 0 340.427 3.455 20 5 EGBDRO O=[N+]([O-])c1ccc(NCC2CC[NH+](C3CC3)CC2)c2cccnc21 ZINC000413265905 309024215 /nfs/dbraw/zinc/02/42/15/309024215.db2.gz OAHJVRYQUUDOKX-UHFFFAOYSA-N 1 0 326.400 3.429 20 5 EGBDRO C[C@@H]1[C@H](Nc2ncc([N+](=O)[O-])cc2F)CC[N@@H+]1Cc1ccccc1 ZINC000413291730 309025386 /nfs/dbraw/zinc/02/53/86/309025386.db2.gz CKVYZVYQQLIOBO-MLGOLLRUSA-N 1 0 330.363 3.204 20 5 EGBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(c2nccc3ccc([N+](=O)[O-])cc32)C[C@@H](C)C1 ZINC000413303618 309025934 /nfs/dbraw/zinc/02/59/34/309025934.db2.gz OEXPDRTVBGZEQY-IYOUNJFTSA-N 1 0 340.427 3.310 20 5 EGBDRO C[N@H+](CCCCNc1cc(C(F)(F)F)ncc1[N+](=O)[O-])C1CC1 ZINC000413345502 309027948 /nfs/dbraw/zinc/02/79/48/309027948.db2.gz FQTRPYLUNGSBGN-UHFFFAOYSA-N 1 0 332.326 3.295 20 5 EGBDRO [NH3+]C[C@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C1CCCC1 ZINC000415066324 309117826 /nfs/dbraw/zinc/11/78/26/309117826.db2.gz OJJWNRBDNSZZDH-KRWDZBQOSA-N 1 0 329.400 3.462 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1CCc3n[nH]cc3C1)CCCC2 ZINC000417314043 309201381 /nfs/dbraw/zinc/20/13/81/309201381.db2.gz XXJJVNLUKMJLCW-KBXCAEBGSA-N 1 0 326.400 3.233 20 5 EGBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000418628483 309251318 /nfs/dbraw/zinc/25/13/18/309251318.db2.gz VNMZCCJOQJLHDM-QGZVFWFLSA-N 1 0 348.447 3.032 20 5 EGBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000418720733 309254736 /nfs/dbraw/zinc/25/47/36/309254736.db2.gz LVJGHFUSRXIJIB-HZPDHXFCSA-N 1 0 348.447 3.032 20 5 EGBDRO CC(=O)c1ccc(OCC[N@@H+](C)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000418938441 309258677 /nfs/dbraw/zinc/25/86/77/309258677.db2.gz QBKDRAGCNOFGAT-UHFFFAOYSA-N 1 0 328.368 3.308 20 5 EGBDRO CC[C@H]([NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)[C@H]1CC1(C)C ZINC000419325942 309264528 /nfs/dbraw/zinc/26/45/28/309264528.db2.gz XREMAFAIAVBISZ-KGLIPLIRSA-N 1 0 347.415 3.307 20 5 EGBDRO O=C(CC[N@@H+]1CCSC[C@H]1C1CCC1)Nc1ccccc1[N+](=O)[O-] ZINC000419375031 309265711 /nfs/dbraw/zinc/26/57/11/309265711.db2.gz PNVNOSJZYASBML-INIZCTEOSA-N 1 0 349.456 3.141 20 5 EGBDRO C[C@@H]1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)[C@H](C[NH3+])C1 ZINC000420261257 309278475 /nfs/dbraw/zinc/27/84/75/309278475.db2.gz PGJQNWOJEZNWKH-RISCZKNCSA-N 1 0 332.429 3.282 20 5 EGBDRO COc1ccc(C[NH2+][C@@H]2CCc3cccnc3CC2)cc1[N+](=O)[O-] ZINC000421825267 309341762 /nfs/dbraw/zinc/34/17/62/309341762.db2.gz MQWJZCHIDDYWSB-OAHLLOKOSA-N 1 0 327.384 3.036 20 5 EGBDRO COC1([C@@H](C)[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCOCC1 ZINC000421868093 309344331 /nfs/dbraw/zinc/34/43/31/309344331.db2.gz QFNOQYIYSQFNJD-DYVFJYSZSA-N 1 0 334.416 3.146 20 5 EGBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC1([NH3+])CCCCC1 ZINC000422700965 309363900 /nfs/dbraw/zinc/36/39/00/309363900.db2.gz HPBNHSVJBYGOMB-UHFFFAOYSA-N 1 0 337.445 3.098 20 5 EGBDRO C[C@H](NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H]1CCCC[NH2+]1 ZINC000423085957 309385191 /nfs/dbraw/zinc/38/51/91/309385191.db2.gz LAASQCJPFSXGMA-HZMBPMFUSA-N 1 0 331.338 3.234 20 5 EGBDRO CCc1ccc([C@@H](NCC2=CC[NH2+]CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000423348154 309396325 /nfs/dbraw/zinc/39/63/25/309396325.db2.gz RWPFHCYZXXTDSE-IBGZPJMESA-N 1 0 341.411 3.349 20 5 EGBDRO C[C@@H]1C[C@@H](C)N(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C[C@H]1C[NH3+] ZINC000424058585 309427818 /nfs/dbraw/zinc/42/78/18/309427818.db2.gz VDWCERFVQXBKMY-NQBHXWOUSA-N 1 0 347.440 3.255 20 5 EGBDRO [NH3+][C@@H]1CCCC[C@H]1NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000424372272 309440752 /nfs/dbraw/zinc/44/07/52/309440752.db2.gz WHDQCIYXLLRXBP-HUUCEWRRSA-N 1 0 332.429 3.078 20 5 EGBDRO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000430817542 309618535 /nfs/dbraw/zinc/61/85/35/309618535.db2.gz UEIGLOSMLOFRKW-OLZOCXBDSA-N 1 0 339.461 3.287 20 5 EGBDRO COc1ccc(C[NH2+]C[C@H]2CCO[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000431707043 309640651 /nfs/dbraw/zinc/64/06/51/309640651.db2.gz CVPBSCLHESQFHA-VQIMIIECSA-N 1 0 342.395 3.471 20 5 EGBDRO C[C@H](NC(=O)C[C@@H](c1ccccc1)[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000431727183 309641320 /nfs/dbraw/zinc/64/13/20/309641320.db2.gz SVFUIEFZHUVREY-KSSFIOAISA-N 1 0 341.411 3.465 20 5 EGBDRO CC1(C)C[C@@H]([NH2+]Cc2ccc(C(N)=O)cc2)c2cc([N+](=O)[O-])ccc21 ZINC000433162657 309680383 /nfs/dbraw/zinc/68/03/83/309680383.db2.gz MSQFPXUHDFQHBH-QGZVFWFLSA-N 1 0 339.395 3.206 20 5 EGBDRO CCn1cc([C@H]2OCCC[C@@H]2[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)cn1 ZINC000433921069 309700042 /nfs/dbraw/zinc/70/00/42/309700042.db2.gz RQWKQPOUESOKEW-FUHWJXTLSA-N 1 0 344.415 3.130 20 5 EGBDRO Cc1c([C@@H](C)[NH2+]Cc2cccc(N3CCC3=O)c2)cccc1[N+](=O)[O-] ZINC000442797584 309887514 /nfs/dbraw/zinc/88/75/14/309887514.db2.gz FUEIYVGBPXVBJO-CQSZACIVSA-N 1 0 339.395 3.491 20 5 EGBDRO CSc1cc(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)ccn1 ZINC000447586988 309983294 /nfs/dbraw/zinc/98/32/94/309983294.db2.gz PMRVMUXOOIPWAH-ZIAGYGMSSA-N 1 0 347.444 3.182 20 5 EGBDRO CN(C(=O)C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)C1CCCCC1 ZINC000447585258 309983365 /nfs/dbraw/zinc/98/33/65/309983365.db2.gz ILOPCPOTVAPZJX-SFHVURJKSA-N 1 0 345.443 3.353 20 5 EGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCc2[nH]c(=O)ccc21 ZINC000449068765 310034369 /nfs/dbraw/zinc/03/43/69/310034369.db2.gz CMKJVAGTNAJXHW-WFASDCNBSA-N 1 0 327.384 3.294 20 5 EGBDRO O=[N+]([O-])c1cccc(CC[NH2+]Cc2ccc3c(c2)OCCCCO3)c1 ZINC000449206264 310044639 /nfs/dbraw/zinc/04/46/39/310044639.db2.gz MZZKCYCIAVFVQL-UHFFFAOYSA-N 1 0 342.395 3.479 20 5 EGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCc1cnc(C2CC2)nc1 ZINC000449208027 310044641 /nfs/dbraw/zinc/04/46/41/310044641.db2.gz OXJPTJBOCSSMEH-CYBMUJFWSA-N 1 0 326.400 3.026 20 5 EGBDRO Cc1cccc(C[C@@H](CO)[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000449267951 310048791 /nfs/dbraw/zinc/04/87/91/310048791.db2.gz CMIOVINMGQEVJG-YJBOKZPZSA-N 1 0 328.412 3.027 20 5 EGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@]1(CO)C[C@H]1c1ccccc1 ZINC000449338777 310054768 /nfs/dbraw/zinc/05/47/68/310054768.db2.gz SPJJZRIFWVTSMH-BPAFIMBUSA-N 1 0 340.423 3.282 20 5 EGBDRO Cc1ccc(C[NH2+][C@@H]2CCO[C@@H](c3ccncc3)C2)cc1[N+](=O)[O-] ZINC000449545789 310070491 /nfs/dbraw/zinc/07/04/91/310070491.db2.gz ZMWCUVDCIJYJAK-SJLPKXTDSA-N 1 0 327.384 3.308 20 5 EGBDRO CCC1([NH2+]CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CCCC1 ZINC000451273357 310169255 /nfs/dbraw/zinc/16/92/55/310169255.db2.gz HRJCOBSHCUBLJL-UHFFFAOYSA-N 1 0 333.388 3.205 20 5 EGBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@@H](CO)c1ccc(Cl)cc1 ZINC000451329739 310172300 /nfs/dbraw/zinc/17/23/00/310172300.db2.gz KORNGPZIYUKJBH-KRWDZBQOSA-N 1 0 334.803 3.456 20 5 EGBDRO CCOc1cc(C[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)ccc1[N+](=O)[O-] ZINC000451482582 310180483 /nfs/dbraw/zinc/18/04/83/310180483.db2.gz WFCAMMGAYSCNLS-XKQJLSEDSA-N 1 0 334.416 3.287 20 5 EGBDRO CC(C)O[C@H]1C[C@@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1(C)C ZINC000451488589 310180905 /nfs/dbraw/zinc/18/09/05/310180905.db2.gz BBILLZSIQMUFSG-CVEARBPZSA-N 1 0 349.431 3.105 20 5 EGBDRO CO[C@@H]1C[C@@H]([NH2+]CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1(C)C ZINC000451502020 310181483 /nfs/dbraw/zinc/18/14/83/310181483.db2.gz PGEABNSGYJIEPM-HZPDHXFCSA-N 1 0 345.399 3.195 20 5 EGBDRO COc1cc(C[N@@H+](C)[C@@H]2C[C@@H](OC)C23CCC3)c([N+](=O)[O-])cc1F ZINC000451854392 310200445 /nfs/dbraw/zinc/20/04/45/310200445.db2.gz QGNMWXYKBMGOQZ-HZPDHXFCSA-N 1 0 338.379 3.132 20 5 EGBDRO COc1cc(C[N@@H+](C)[C@H]2C[C@@H](OC)C23CCC3)c([N+](=O)[O-])cc1F ZINC000451854393 310200494 /nfs/dbraw/zinc/20/04/94/310200494.db2.gz QGNMWXYKBMGOQZ-JKSUJKDBSA-N 1 0 338.379 3.132 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)[C@H]1CCC[C@@H](C)C1 ZINC000452073771 310210579 /nfs/dbraw/zinc/21/05/79/310210579.db2.gz VYGDQKMYKFZCBP-RDBSUJKOSA-N 1 0 349.431 3.346 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)CCCc1cccnc1 ZINC000453115207 310258897 /nfs/dbraw/zinc/25/88/97/310258897.db2.gz WOAFAGJPVOBPSK-CQSZACIVSA-N 1 0 329.400 3.499 20 5 EGBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCO[C@@H](c3ccnn3C)C2)cccc1[N+](=O)[O-] ZINC000453339231 310271771 /nfs/dbraw/zinc/27/17/71/310271771.db2.gz KNMZGRGSNIGTGK-PMUMKWKESA-N 1 0 344.415 3.208 20 5 EGBDRO CCn1ccnc1[C@@H](C)[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000453353282 310272587 /nfs/dbraw/zinc/27/25/87/310272587.db2.gz NQCZKFTZSULMJE-CJNGLKHVSA-N 1 0 328.416 3.483 20 5 EGBDRO Cc1ncccc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000453415966 310275843 /nfs/dbraw/zinc/27/58/43/310275843.db2.gz BQDKAPRXMDHBMM-JSGCOSHPSA-N 1 0 342.399 3.284 20 5 EGBDRO Cc1ccc(C[C@@H](CO)[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])cc1C ZINC000453431729 310276928 /nfs/dbraw/zinc/27/69/28/310276928.db2.gz JHJXTWBCUSAPEM-LPHOPBHVSA-N 1 0 342.439 3.336 20 5 EGBDRO CON1CCC([N@H+](C)Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000453619836 310284859 /nfs/dbraw/zinc/28/48/59/310284859.db2.gz KZXPXRQUPCVLFL-UHFFFAOYSA-N 1 0 345.399 3.312 20 5 EGBDRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)c3ccc([N+](=O)[O-])s3)ccc21 ZINC000456258951 310395383 /nfs/dbraw/zinc/39/53/83/310395383.db2.gz HBNPUHPILBCSAC-CYBMUJFWSA-N 1 0 331.397 3.458 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C(C)C)C1(CO)CCCC1 ZINC000459525355 310558495 /nfs/dbraw/zinc/55/84/95/310558495.db2.gz HHMBFJISNMBRMP-KRWDZBQOSA-N 1 0 336.432 3.270 20 5 EGBDRO Cc1ccccc1-n1nccc1C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000474809968 310799899 /nfs/dbraw/zinc/79/98/99/310799899.db2.gz OKUNNXPVKJFXAA-UHFFFAOYSA-N 1 0 336.395 3.421 20 5 EGBDRO C[C@@H](O)[C@@](C)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1F)Cc1ccccc1 ZINC000480465490 310895061 /nfs/dbraw/zinc/89/50/61/310895061.db2.gz DVUKFJUFGLDOKZ-AUUYWEPGSA-N 1 0 346.402 3.453 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1CNC1CC[NH+](C2CCCCC2)CC1 ZINC000482516227 310933447 /nfs/dbraw/zinc/93/34/47/310933447.db2.gz WVRYMASAOGZYCZ-UHFFFAOYSA-N 1 0 347.459 3.490 20 5 EGBDRO Cc1ccccc1O[C@@H]1CCCC[C@@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000484659095 310968230 /nfs/dbraw/zinc/96/82/30/310968230.db2.gz YCAMJJZEBSHILS-DOTOQJQBSA-N 1 0 344.415 3.080 20 5 EGBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(c2ccc([N+](=O)[O-])c3cccnc32)C[C@@H](C)C1 ZINC000488739810 311077648 /nfs/dbraw/zinc/07/76/48/311077648.db2.gz XAFGKCHKQJEVSR-QWQRMKEZSA-N 1 0 340.427 3.310 20 5 EGBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(c2nc3ccccc3cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488751553 311078353 /nfs/dbraw/zinc/07/83/53/311078353.db2.gz PRHDGGBEGKGBBN-ZQIUZPCESA-N 1 0 340.427 3.310 20 5 EGBDRO COc1ccc(C[N@H+](C)CCOc2cccc([N+](=O)[O-])c2)cc1C ZINC000489150627 311093890 /nfs/dbraw/zinc/09/38/90/311093890.db2.gz YJGFOXRFZDRJEI-UHFFFAOYSA-N 1 0 330.384 3.423 20 5 EGBDRO C[NH+](C)[C@H](CNC(=O)/C=C\c1ccccc1[N+](=O)[O-])c1cccs1 ZINC000490608855 311146772 /nfs/dbraw/zinc/14/67/72/311146772.db2.gz ZVRGMTVSTJLZJJ-FJVVXJACSA-N 1 0 345.424 3.089 20 5 EGBDRO C[NH+](C)CCc1ccccc1NC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000491990404 311206265 /nfs/dbraw/zinc/20/62/65/311206265.db2.gz MPWVKQOHPYCQIU-KHPPLWFESA-N 1 0 339.395 3.351 20 5 EGBDRO C[NH+](C)CCc1ccccc1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000491990405 311206319 /nfs/dbraw/zinc/20/63/19/311206319.db2.gz MPWVKQOHPYCQIU-ZHACJKMWSA-N 1 0 339.395 3.351 20 5 EGBDRO Cc1[nH]nc2ncc(C[NH2+]C(C)(C)c3ccccc3[N+](=O)[O-])cc12 ZINC000492108034 311217075 /nfs/dbraw/zinc/21/70/75/311217075.db2.gz PZTVGWUAULEYBQ-UHFFFAOYSA-N 1 0 325.372 3.199 20 5 EGBDRO CCOc1cc(CN2CC[C@H](C[N@H+](C)CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000492628659 311273634 /nfs/dbraw/zinc/27/36/34/311273634.db2.gz HLKPMPMBDHSPGO-QGZVFWFLSA-N 1 0 347.459 3.157 20 5 EGBDRO O=[N+]([O-])c1cccc(F)c1CN1CC[NH+](CCc2ccccc2)CC1 ZINC000505560187 312026417 /nfs/dbraw/zinc/02/64/17/312026417.db2.gz PVQCCWFZNGKQKU-UHFFFAOYSA-N 1 0 343.402 3.094 20 5 EGBDRO Cc1cc(C(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000507451117 312072682 /nfs/dbraw/zinc/07/26/82/312072682.db2.gz ORJVDTKWENFFFV-ZIAGYGMSSA-N 1 0 347.459 3.390 20 5 EGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[NH+](CCCCF)CC1 ZINC000509263227 312113082 /nfs/dbraw/zinc/11/30/82/312113082.db2.gz KQEVCPNANSKBGR-UHFFFAOYSA-N 1 0 349.328 3.485 20 5 EGBDRO COC(=O)c1cccc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000511126257 312155407 /nfs/dbraw/zinc/15/54/07/312155407.db2.gz ONWRQOANAAJGLK-UHFFFAOYSA-N 1 0 328.368 3.056 20 5 EGBDRO CC[C@@H]1CCCCN1C(=O)[C@@H](C)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000511140137 312155596 /nfs/dbraw/zinc/15/55/96/312155596.db2.gz SIAOOFZJMBNRDD-NVXWUHKLSA-N 1 0 347.459 3.249 20 5 EGBDRO CC(C)C[C@H]1C[C@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000516966615 312355039 /nfs/dbraw/zinc/35/50/39/312355039.db2.gz WBTNYOXHNAVFOW-CABCVRRESA-N 1 0 349.431 3.107 20 5 EGBDRO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C(C)(C)C ZINC000521557846 312550503 /nfs/dbraw/zinc/55/05/03/312550503.db2.gz WTVZLSRVXBEHQS-NHYWBVRUSA-N 1 0 337.420 3.345 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCCC[C@@H]2N2CCOCC2)cc1[N+](=O)[O-] ZINC000532248002 313774211 /nfs/dbraw/zinc/77/42/11/313774211.db2.gz FXFAZOCDFUUXQW-SZMVWBNQSA-N 1 0 347.459 3.197 20 5 EGBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H](CO)c2ccc(C(F)(F)F)cc2)c1 ZINC000535368554 314043255 /nfs/dbraw/zinc/04/32/55/314043255.db2.gz SSZLCCIXNMIZAS-OAHLLOKOSA-N 1 0 340.301 3.437 20 5 EGBDRO COc1cc(N2CCC(C[N@H+](C)C(C)C)CC2)c(F)cc1[N+](=O)[O-] ZINC000536997753 314155756 /nfs/dbraw/zinc/15/57/56/314155756.db2.gz NWZXHJVSWNFGQH-UHFFFAOYSA-N 1 0 339.411 3.299 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000538277171 314236802 /nfs/dbraw/zinc/23/68/02/314236802.db2.gz XXMOZWYLFXGSMO-PWXKEOIMSA-N 1 0 347.459 3.495 20 5 EGBDRO COC[C@@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C(C)C ZINC000542522225 314553646 /nfs/dbraw/zinc/55/36/46/314553646.db2.gz RQMUUHILCGFBLR-OAHLLOKOSA-N 1 0 333.388 3.053 20 5 EGBDRO Cc1c(CNC(=O)CC[N@@H+](C)C2CCCCC2)cccc1[N+](=O)[O-] ZINC000548720409 315038601 /nfs/dbraw/zinc/03/86/01/315038601.db2.gz ZPNFANKFVKVOAI-UHFFFAOYSA-N 1 0 333.432 3.174 20 5 EGBDRO C[C@@H](C[NH+](C)C)NC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000558020016 315546404 /nfs/dbraw/zinc/54/64/04/315546404.db2.gz BEIOFBBQBAQZNX-ZDUSSCGKSA-N 1 0 343.383 3.067 20 5 EGBDRO Cc1ccc(NC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000563370112 316009308 /nfs/dbraw/zinc/00/93/08/316009308.db2.gz QOEDRAJMNAMHMD-MRXNPFEDSA-N 1 0 339.395 3.364 20 5 EGBDRO Cn1cnc([N+](=O)[O-])c1CS[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000564453742 316154728 /nfs/dbraw/zinc/15/47/28/316154728.db2.gz REXVBTXWVCSWAK-HNNXBMFYSA-N 1 0 346.456 3.226 20 5 EGBDRO C[NH+](C)Cc1ccc(C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000564702273 316189414 /nfs/dbraw/zinc/18/94/14/316189414.db2.gz WRLRBTHAFQZWFJ-UHFFFAOYSA-N 1 0 341.411 3.322 20 5 EGBDRO C[C@@H](C(=O)N1CCC(CCC[NH+](C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000565925733 316388634 /nfs/dbraw/zinc/38/86/34/316388634.db2.gz GJXHAAPBQPELQF-OAHLLOKOSA-N 1 0 347.459 3.279 20 5 EGBDRO COc1ccc(C[NH2+][C@@H]2CCC[C@H](c3ccnn3C)C2)cc1[N+](=O)[O-] ZINC000568353910 316762608 /nfs/dbraw/zinc/76/26/08/316762608.db2.gz DRIXDQFIRIXQGT-LSDHHAIUSA-N 1 0 344.415 3.153 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1NCc1ccccc1OCC[NH+](C)C ZINC000568457460 316776263 /nfs/dbraw/zinc/77/62/63/316776263.db2.gz CSHZZGDYXSSSHP-UHFFFAOYSA-N 1 0 329.400 3.456 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](NC[C@@H]2CC[N@@H+](C3CC3)C2)C(F)(F)F)cc1 ZINC000570638397 317085336 /nfs/dbraw/zinc/08/53/36/317085336.db2.gz XWLDHEVAJVQXLE-NHYWBVRUSA-N 1 0 343.349 3.272 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2nc(CSCC3CC[NH2+]CC3)co2)cc1 ZINC000571082905 317148418 /nfs/dbraw/zinc/14/84/18/317148418.db2.gz XDBWMVLREGZULU-UHFFFAOYSA-N 1 0 333.413 3.483 20 5 EGBDRO Cc1ccc(C[C@H]2CCC[N@@H+](Cc3c([N+](=O)[O-])ncn3C)C2)cc1 ZINC000571136384 317154931 /nfs/dbraw/zinc/15/49/31/317154931.db2.gz BFXVAAYVGKZPDP-MRXNPFEDSA-N 1 0 328.416 3.091 20 5 EGBDRO C[C@]1(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCO[C@@H]1C1CC1 ZINC000571372467 317189034 /nfs/dbraw/zinc/18/90/34/317189034.db2.gz FBTKISAORRPJLT-JOCBIADPSA-N 1 0 348.447 3.070 20 5 EGBDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3ccnc4ccccc34)CC2)n1 ZINC000571737157 317239184 /nfs/dbraw/zinc/23/91/84/317239184.db2.gz LYIRRMSDTQFVPR-UHFFFAOYSA-N 1 0 337.383 3.177 20 5 EGBDRO CCC[C@H]([NH2+][C@@H]1CCN(C(C)(C)C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000571800319 317249651 /nfs/dbraw/zinc/24/96/51/317249651.db2.gz WYHCVMOIXJLDSI-JKSUJKDBSA-N 1 0 333.432 3.425 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000573767140 317525750 /nfs/dbraw/zinc/52/57/50/317525750.db2.gz TWDMRBNMHUGGDJ-INIZCTEOSA-N 1 0 346.431 3.249 20 5 EGBDRO COc1cc2c(cc1OC)CN(Cc1c(F)cccc1[N+](=O)[O-])CC2 ZINC000171613768 323242823 /nfs/dbraw/zinc/24/28/23/323242823.db2.gz MNYPJRQHFGHATK-UHFFFAOYSA-N 1 0 346.358 3.309 20 5 EGBDRO CCc1ccc(C(=O)NCc2ccc(C[NH+](C)C)cc2)cc1[N+](=O)[O-] ZINC000175278642 323317341 /nfs/dbraw/zinc/31/73/41/323317341.db2.gz LGLSWKKJTBGZCQ-UHFFFAOYSA-N 1 0 341.411 3.149 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H]1CCCC[C@@H]1C ZINC000192800813 323826496 /nfs/dbraw/zinc/82/64/96/323826496.db2.gz YCJMQZLGQLJJCR-JSGCOSHPSA-N 1 0 335.404 3.100 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000192913094 323828361 /nfs/dbraw/zinc/82/83/61/323828361.db2.gz HJTQTIMQURAHTG-INIZCTEOSA-N 1 0 345.374 3.075 20 5 EGBDRO O=[N+]([O-])c1cc(F)ccc1OCc1cccc(CN2CCOCC2)c1 ZINC000421178743 324311978 /nfs/dbraw/zinc/31/19/78/324311978.db2.gz CHWCGGFJRGTLDB-UHFFFAOYSA-N 1 0 346.358 3.145 20 5 EGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@H](CO)Cc1ccccc1 ZINC000579859591 325169586 /nfs/dbraw/zinc/16/95/86/325169586.db2.gz YHEBQLCQXLEQTE-QAPCUYQASA-N 1 0 326.396 3.023 20 5 EGBDRO CC[C@@H](C(=O)NCc1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1ccccc1 ZINC000580131986 325206311 /nfs/dbraw/zinc/20/63/11/325206311.db2.gz NSPNQEVWBZUZKO-SFHVURJKSA-N 1 0 341.411 3.122 20 5 EGBDRO C[C@H]([NH2+][C@H]1CCC[C@@H](N2CCCC2=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000580659467 325280303 /nfs/dbraw/zinc/28/03/03/325280303.db2.gz JHKKCJOTSNHYCF-CWRNSKLLSA-N 1 0 331.416 3.179 20 5 EGBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c1 ZINC000580803170 325296552 /nfs/dbraw/zinc/29/65/52/325296552.db2.gz KLACXARBCXPXAX-IRXDYDNUSA-N 1 0 332.400 3.007 20 5 EGBDRO COC(=O)C(C)(C)CC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000581277844 325348233 /nfs/dbraw/zinc/34/82/33/325348233.db2.gz JUPNQWSGNBQFLB-GDBMZVCRSA-N 1 0 348.443 3.485 20 5 EGBDRO Cc1cccc([C@@H](C)C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000581662597 325380564 /nfs/dbraw/zinc/38/05/64/325380564.db2.gz OTFZZMWATNTEMJ-MAUKXSAKSA-N 1 0 344.411 3.036 20 5 EGBDRO CC(C)(C(=O)Nc1cccc2c1CC[NH2+]C2)c1ccc([N+](=O)[O-])cc1 ZINC000582720100 325464677 /nfs/dbraw/zinc/46/46/77/325464677.db2.gz FBHIMXQCMJUBLU-UHFFFAOYSA-N 1 0 339.395 3.157 20 5 EGBDRO CC[N@H+](CC1CC1)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000157892306 455245598 /nfs/dbraw/zinc/24/55/98/455245598.db2.gz YEPDEBWISUJNJC-SNVBAGLBSA-N 1 0 325.796 3.307 20 5 EGBDRO C[C@H]([NH2+][C@H]1CC(=O)N(c2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000173356578 455273096 /nfs/dbraw/zinc/27/30/96/455273096.db2.gz STTFOXNXFGEDJM-ZFWWWQNUSA-N 1 0 325.368 3.051 20 5 EGBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@@H](c2cccc(F)c2)C2CCCC2)n1 ZINC000180998705 455274980 /nfs/dbraw/zinc/27/49/80/455274980.db2.gz OUTUUJIMJLMCJY-QGZVFWFLSA-N 1 0 332.379 3.452 20 5 EGBDRO C[NH+](C)[C@@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000018177672 453645999 /nfs/dbraw/zinc/64/59/99/453645999.db2.gz IOYRLRRKRBIXRM-INIZCTEOSA-N 1 0 328.372 3.019 20 5 EGBDRO CNc1ccc(C(=O)NCC2([NH+](C)C)CCCCCC2)cc1[N+](=O)[O-] ZINC000024583459 453738946 /nfs/dbraw/zinc/73/89/46/453738946.db2.gz ZASRGWQSRCAJHA-UHFFFAOYSA-N 1 0 348.447 3.021 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)Cc1ccsc1 ZINC000026260241 453795498 /nfs/dbraw/zinc/79/54/98/453795498.db2.gz FTSHVXWNRRSJOW-UHFFFAOYSA-N 1 0 349.412 3.126 20 5 EGBDRO CC[C@H]1CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000030144634 453834027 /nfs/dbraw/zinc/83/40/27/453834027.db2.gz ZZQKYAPLXJLUGC-ZDUSSCGKSA-N 1 0 335.404 3.054 20 5 EGBDRO CCC[N@H+](C)C[C@@H]1CCN(Cc2cc([N+](=O)[O-])ccc2OCC)C1 ZINC000081516290 453880921 /nfs/dbraw/zinc/88/09/21/453880921.db2.gz JVMIFZDSRSLPIA-HNNXBMFYSA-N 1 0 335.448 3.157 20 5 EGBDRO COc1cc(C[N@@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000053778452 453895725 /nfs/dbraw/zinc/89/57/25/453895725.db2.gz SHXBKNYLRLAQIM-JTQLQIEISA-N 1 0 330.331 3.437 20 5 EGBDRO CN(CCCC[NH+](C)C)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000081790009 453909013 /nfs/dbraw/zinc/90/90/13/453909013.db2.gz VSWIAWOKEMDAQB-UHFFFAOYSA-N 1 0 347.337 3.027 20 5 EGBDRO CCCCNC(=O)[C@@H]1CCC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000075676652 453916236 /nfs/dbraw/zinc/91/62/36/453916236.db2.gz ANAZBZIJSRKBJO-LSDHHAIUSA-N 1 0 333.432 3.284 20 5 EGBDRO O=[N+]([O-])c1ccc(OCCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000033886102 453918008 /nfs/dbraw/zinc/91/80/08/453918008.db2.gz XVDOTSBZOTZMSX-UHFFFAOYSA-N 1 0 341.411 3.186 20 5 EGBDRO C[N@H+](CCNC(=O)c1ccc([N+](=O)[O-])cc1Cl)Cc1ccccc1 ZINC000054281583 453920479 /nfs/dbraw/zinc/92/04/79/453920479.db2.gz SNSDJDQTNSCLFI-UHFFFAOYSA-N 1 0 347.802 3.110 20 5 EGBDRO O=[N+]([O-])c1cc(Br)ccc1NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000037649782 453938041 /nfs/dbraw/zinc/93/80/41/453938041.db2.gz GLIWQLVWJSDYLI-SNVBAGLBSA-N 1 0 340.221 3.254 20 5 EGBDRO O=[N+]([O-])c1cnn(CC[N@H+]2CC=C(c3ccc(Cl)cc3)CC2)c1 ZINC000083422512 453948209 /nfs/dbraw/zinc/94/82/09/453948209.db2.gz XLUARUGGXKJTKO-UHFFFAOYSA-N 1 0 332.791 3.234 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[N@H+](CCc2ccccc2)[C@H]2CCOC2)cc1 ZINC000084134477 453972560 /nfs/dbraw/zinc/97/25/60/453972560.db2.gz HUEIYFJUEDYOEB-FQEVSTJZSA-N 1 0 340.423 3.471 20 5 EGBDRO C[C@H](C[NH+]1CCCCC1)Nc1ncc(Br)cc1[N+](=O)[O-] ZINC000042322220 454005542 /nfs/dbraw/zinc/00/55/42/454005542.db2.gz YGFKQTWLNMEFJP-SNVBAGLBSA-N 1 0 343.225 3.039 20 5 EGBDRO CN(C(=O)C[N@H+](C)[C@@H]1CCc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000042635286 454016981 /nfs/dbraw/zinc/01/69/81/454016981.db2.gz IAGHCISTHOONSZ-GOSISDBHSA-N 1 0 339.395 3.177 20 5 EGBDRO CCc1ccc([C@@H]([NH2+]C[C@H]2CCOC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000612407719 460623092 /nfs/dbraw/zinc/62/30/92/460623092.db2.gz WBTRSABNNDTYGD-ACJLOTCBSA-N 1 0 330.384 3.466 20 5 EGBDRO COc1ccc(C[N@@H+]2CC[C@@H](Nc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000076757676 454033780 /nfs/dbraw/zinc/03/37/80/454033780.db2.gz ANVCNXKEIRWOER-MRXNPFEDSA-N 1 0 327.384 3.290 20 5 EGBDRO C[NH+](C)[C@H](CNC(=O)CCc1cccc([N+](=O)[O-])c1)c1ccsc1 ZINC000087081027 454061639 /nfs/dbraw/zinc/06/16/39/454061639.db2.gz LFWNQZRMELEVJT-MRXNPFEDSA-N 1 0 347.440 3.008 20 5 EGBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000087188437 454068402 /nfs/dbraw/zinc/06/84/02/454068402.db2.gz QBNRQXNOXAAVKJ-BZUAXINKSA-N 1 0 347.459 3.010 20 5 EGBDRO CCc1ccc([C@@H](CNC(=O)c2ccccc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000069691768 454133092 /nfs/dbraw/zinc/13/30/92/454133092.db2.gz ASHAMACHVBEVTP-GOSISDBHSA-N 1 0 341.411 3.190 20 5 EGBDRO C[C@H]([NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])c1cnn(C)c1 ZINC000130316105 454189317 /nfs/dbraw/zinc/18/93/17/454189317.db2.gz KVMKILSHRFDREX-VBQJREDUSA-N 1 0 328.416 3.390 20 5 EGBDRO CC(C)[N@H+](C)CCCNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000266261150 455426220 /nfs/dbraw/zinc/42/62/20/455426220.db2.gz MYSNCPGZEFIERK-UHFFFAOYSA-N 1 0 347.337 3.074 20 5 EGBDRO CC(C)[N@H+](C)CC1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000058861061 454237618 /nfs/dbraw/zinc/23/76/18/454237618.db2.gz LUBPRTSCYHISGR-RMKNXTFCSA-N 1 0 345.443 3.187 20 5 EGBDRO C[NH+](C)C[C@H]1CCCCN1C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000119966305 454242698 /nfs/dbraw/zinc/24/26/98/454242698.db2.gz NPKIICLPABEFIT-OAHLLOKOSA-N 1 0 347.459 3.449 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]([NH+]3CCCC3)C2)nc1-c1ccccc1 ZINC000090089439 454276197 /nfs/dbraw/zinc/27/61/97/454276197.db2.gz RAGFVJCPSKROBD-MRXNPFEDSA-N 1 0 338.411 3.331 20 5 EGBDRO Cc1c([C@@H](C)[NH2+]Cc2ccc([S@](C)=O)cc2)cccc1[N+](=O)[O-] ZINC000090220916 454293992 /nfs/dbraw/zinc/29/39/92/454293992.db2.gz VCYSYDTVCKTJDP-JCQPUDPBSA-N 1 0 332.425 3.491 20 5 EGBDRO CC[C@@H](Cc1ccc(C)cc1)[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090550881 454320364 /nfs/dbraw/zinc/32/03/64/454320364.db2.gz TZLFTYPLJIFESE-KRWDZBQOSA-N 1 0 343.427 3.018 20 5 EGBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000047037792 454322606 /nfs/dbraw/zinc/32/26/06/454322606.db2.gz RFGIIFFTMWIOAQ-IYBDPMFKSA-N 1 0 347.459 3.012 20 5 EGBDRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000047037793 454322841 /nfs/dbraw/zinc/32/28/41/454322841.db2.gz RFGIIFFTMWIOAQ-HOTGVXAUSA-N 1 0 347.459 3.012 20 5 EGBDRO O=S1(=O)CC[C@@H]([NH2+]Cc2c3ccccc3cc3ccccc32)C1 ZINC000072712646 454331983 /nfs/dbraw/zinc/33/19/83/454331983.db2.gz LVFRITNMQWCDCH-MRXNPFEDSA-N 1 0 325.433 3.270 20 5 EGBDRO O=[N+]([O-])c1sccc1NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000063258383 454399310 /nfs/dbraw/zinc/39/93/10/454399310.db2.gz RGSVYTJRXBNGFR-UHFFFAOYSA-N 1 0 346.456 3.281 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000097164307 454419598 /nfs/dbraw/zinc/41/95/98/454419598.db2.gz KCAZYPINIBIJMS-OAHLLOKOSA-N 1 0 349.431 3.168 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000063551491 454422625 /nfs/dbraw/zinc/42/26/25/454422625.db2.gz WOMOSQIRDLYGEA-OAHLLOKOSA-N 1 0 331.416 3.496 20 5 EGBDRO C[C@@H]1CCCN(C(=O)C2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000048045865 454436216 /nfs/dbraw/zinc/43/62/16/454436216.db2.gz IRDQSONFOCBSLB-OAHLLOKOSA-N 1 0 345.443 3.065 20 5 EGBDRO CCc1nn(C)c(NCC2CC[NH+](CCC(C)C)CC2)c1[N+](=O)[O-] ZINC000091735000 454464417 /nfs/dbraw/zinc/46/44/17/454464417.db2.gz UEKNAYYXCPFTLX-UHFFFAOYSA-N 1 0 337.468 3.061 20 5 EGBDRO CC[NH+](CC)CC1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000048279949 454467028 /nfs/dbraw/zinc/46/70/28/454467028.db2.gz KGUZXOPPYLUTOC-UHFFFAOYSA-N 1 0 334.420 3.181 20 5 EGBDRO O=[N+]([O-])c1cccc(N2CC[NH+](Cc3cccc4[nH]ccc43)CC2)c1 ZINC000092048272 454509532 /nfs/dbraw/zinc/50/95/32/454509532.db2.gz XIOYTTURJRFPQS-UHFFFAOYSA-N 1 0 336.395 3.398 20 5 EGBDRO CC(C)(C)CC(C)(C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000182197423 455458782 /nfs/dbraw/zinc/45/87/82/455458782.db2.gz JDYBNIRIAWOXSA-UHFFFAOYSA-N 1 0 342.461 3.173 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2csc([C@@H]3C[N@@H+]4CCC[C@@H]4CO3)n2)cc1 ZINC000102662721 454515589 /nfs/dbraw/zinc/51/55/89/454515589.db2.gz RVCIHMAGIYEKMH-HIFRSBDPSA-N 1 0 331.397 3.254 20 5 EGBDRO CCCN(CC[NH+](CC)CC)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000122607433 454553095 /nfs/dbraw/zinc/55/30/95/454553095.db2.gz RQXIUCOIOPPLNN-UHFFFAOYSA-N 1 0 334.420 3.290 20 5 EGBDRO O=[N+]([O-])c1ccc(C[N@@H+](CCO)[C@@H]2CCCc3ccccc32)cc1 ZINC000074312278 454560923 /nfs/dbraw/zinc/56/09/23/454560923.db2.gz NEKLXZGSVLSRPS-LJQANCHMSA-N 1 0 326.396 3.467 20 5 EGBDRO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000051056897 454607760 /nfs/dbraw/zinc/60/77/60/454607760.db2.gz VGSSTBXDWHXDLF-GOEBONIOSA-N 1 0 333.432 3.112 20 5 EGBDRO C[C@@H](c1ccccc1F)[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000051407438 454622676 /nfs/dbraw/zinc/62/26/76/454622676.db2.gz QVUWBOZKUBFRDI-ZFWWWQNUSA-N 1 0 348.374 3.167 20 5 EGBDRO CC[NH+](CC)Cc1ccccc1CNc1c([N+](=O)[O-])c(C)nn1C ZINC000051454098 454625161 /nfs/dbraw/zinc/62/51/61/454625161.db2.gz XGQKHCKEAHQQID-UHFFFAOYSA-N 1 0 331.420 3.091 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CC[C@H](CO)C3)o2)c(Cl)c1 ZINC000092763010 454628283 /nfs/dbraw/zinc/62/82/83/454628283.db2.gz KBJJRORBYIRNGA-NSHDSACASA-N 1 0 336.775 3.322 20 5 EGBDRO C[N@H+](CC1CC1)C[C@H]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)C1 ZINC000074772730 454632364 /nfs/dbraw/zinc/63/23/64/454632364.db2.gz FCVFYPHTEAWGBG-OAHLLOKOSA-N 1 0 340.427 3.311 20 5 EGBDRO C[NH+](C)[C@@H]1CCCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000092938507 454656611 /nfs/dbraw/zinc/65/66/11/454656611.db2.gz VTWUEYYGVKLKCJ-CQSZACIVSA-N 1 0 329.400 3.381 20 5 EGBDRO CCc1ccc(C2=CC[N@H+](CCn3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000093262598 454697254 /nfs/dbraw/zinc/69/72/54/454697254.db2.gz RGYLLDLJPOUCGZ-UHFFFAOYSA-N 1 0 326.400 3.143 20 5 EGBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000152982977 454749685 /nfs/dbraw/zinc/74/96/85/454749685.db2.gz ZGIYHALWKCBWCA-RYUDHWBXSA-N 1 0 349.456 3.062 20 5 EGBDRO CCOC(=O)CC[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000162138489 454753318 /nfs/dbraw/zinc/75/33/18/454753318.db2.gz RUZKVHRMFPICTA-OAHLLOKOSA-N 1 0 334.416 3.459 20 5 EGBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000137071864 454768239 /nfs/dbraw/zinc/76/82/39/454768239.db2.gz JSQGMMFGIXFIDX-GFCCVEGCSA-N 1 0 339.823 3.243 20 5 EGBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000176713080 454773842 /nfs/dbraw/zinc/77/38/42/454773842.db2.gz HALYTKMEDAQYTC-GOEBONIOSA-N 1 0 348.447 3.090 20 5 EGBDRO Cc1csc(=O)n1CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000138400947 454792768 /nfs/dbraw/zinc/79/27/68/454792768.db2.gz LXZLQEMQAZAJII-UHFFFAOYSA-N 1 0 335.429 3.037 20 5 EGBDRO Cc1cc(C(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)cc([N+](=O)[O-])c1 ZINC000163256698 454834516 /nfs/dbraw/zinc/83/45/16/454834516.db2.gz HBTXNTWLWFFRDU-OAHLLOKOSA-N 1 0 333.432 3.001 20 5 EGBDRO Cc1cc(NC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000153821396 454836648 /nfs/dbraw/zinc/83/66/48/454836648.db2.gz NAFGGWBPTOZJDH-HNNXBMFYSA-N 1 0 334.420 3.241 20 5 EGBDRO CCC1(CC)[C@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1OC ZINC000191375157 455480789 /nfs/dbraw/zinc/48/07/89/455480789.db2.gz XZLNVJMKRFNCMI-HZPDHXFCSA-N 1 0 349.431 3.107 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)[C@H]1CCc2ccccc21 ZINC000164441343 454882239 /nfs/dbraw/zinc/88/22/39/454882239.db2.gz FYNCDHXYAGHNOI-INIZCTEOSA-N 1 0 339.395 3.461 20 5 EGBDRO O=C(NC1CC[NH+](C2CCCCC2)CC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000150728327 454883678 /nfs/dbraw/zinc/88/36/78/454883678.db2.gz CKKQWZPBUWAGPR-UHFFFAOYSA-N 1 0 349.406 3.261 20 5 EGBDRO CC[C@H](C)[C@H](O)C[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000112381131 454885923 /nfs/dbraw/zinc/88/59/23/454885923.db2.gz MNSFFOGZNGQFLD-YVEFUNNKSA-N 1 0 348.399 3.360 20 5 EGBDRO CCC(CC)[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C1CC1 ZINC000165334761 454898986 /nfs/dbraw/zinc/89/89/86/454898986.db2.gz IVMHUMXWZAWPLD-UHFFFAOYSA-N 1 0 335.404 3.195 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)cc1 ZINC000182319711 455488045 /nfs/dbraw/zinc/48/80/45/455488045.db2.gz GNCJCRHSYZQCMK-CQSZACIVSA-N 1 0 339.395 3.143 20 5 EGBDRO Cn1cc(C[NH2+]CCOC2CCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000171051897 455021300 /nfs/dbraw/zinc/02/13/00/455021300.db2.gz UPCPOQFDTAFVHG-UHFFFAOYSA-N 1 0 344.415 3.044 20 5 EGBDRO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@H]2C[C@H](O)c2ccco2)cc1 ZINC000151926901 455050270 /nfs/dbraw/zinc/05/02/70/455050270.db2.gz QJVHCBQIECMJTM-RDJZCZTQSA-N 1 0 346.383 3.155 20 5 EGBDRO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000179701755 455068850 /nfs/dbraw/zinc/06/88/50/455068850.db2.gz YZMCHKYZSDSHCB-HNNXBMFYSA-N 1 0 333.432 3.076 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[N@@H+](Cc1ccccc1)[C@H](CO)C1CC1 ZINC000155995882 455070599 /nfs/dbraw/zinc/07/05/99/455070599.db2.gz FVHNNJPRKYYRIP-LJQANCHMSA-N 1 0 326.396 3.368 20 5 EGBDRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccccc2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000172029419 455110759 /nfs/dbraw/zinc/11/07/59/455110759.db2.gz CINQMIFRMFPRBD-RDTXWAMCSA-N 1 0 339.395 3.441 20 5 EGBDRO CCN(C(=O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000180394139 455163453 /nfs/dbraw/zinc/16/34/53/455163453.db2.gz RIJZFILXBWLDNG-CQSZACIVSA-N 1 0 327.384 3.299 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCCC[N@@H+](C)Cc2ccccc2)c1 ZINC000172700731 455176096 /nfs/dbraw/zinc/17/60/96/455176096.db2.gz HSRCNOQUVRTOLJ-UHFFFAOYSA-N 1 0 341.411 3.155 20 5 EGBDRO Cc1c(NC(=O)NCC[C@@H](C)[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000183019917 455210762 /nfs/dbraw/zinc/21/07/62/455210762.db2.gz HSLCPCQXAWEQOT-CYBMUJFWSA-N 1 0 334.420 3.289 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)c1 ZINC000172981149 455216644 /nfs/dbraw/zinc/21/66/44/455216644.db2.gz KSEXTMFFLCSJQC-QGZVFWFLSA-N 1 0 345.374 3.075 20 5 EGBDRO C[C@@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000173411161 455278977 /nfs/dbraw/zinc/27/89/77/455278977.db2.gz HWKAPNHOSRGQPF-OCCSQVGLSA-N 1 0 335.404 3.255 20 5 EGBDRO C[C@H](c1ccccc1F)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000245443732 455301641 /nfs/dbraw/zinc/30/16/41/455301641.db2.gz JBMOTGUKOBXMFQ-CHWSQXEVSA-N 1 0 330.363 3.376 20 5 EGBDRO COc1cccc([C@@H](CNc2cccc(OC)c2[N+](=O)[O-])[NH+](C)C)c1 ZINC000181211575 455302896 /nfs/dbraw/zinc/30/28/96/455302896.db2.gz AEAWLLOLLFWMLJ-MRXNPFEDSA-N 1 0 345.399 3.327 20 5 EGBDRO C[NH+](C)CC[C@@H](NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)C(C)(C)C ZINC000265370670 455315049 /nfs/dbraw/zinc/31/50/49/455315049.db2.gz OMCXYYXXJRWVQS-MRXNPFEDSA-N 1 0 346.431 3.172 20 5 EGBDRO C[C@@H](CCNC(=O)c1ccccc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000173605545 455315823 /nfs/dbraw/zinc/31/58/23/455315823.db2.gz LLGXAQNROACFBG-HNNXBMFYSA-N 1 0 341.411 3.235 20 5 EGBDRO CCCC(=O)N[C@H]1CCC[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000245522953 455320825 /nfs/dbraw/zinc/32/08/25/455320825.db2.gz MKQSZKQIOGLOAG-CABCVRRESA-N 1 0 333.432 3.345 20 5 EGBDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000173662450 455325423 /nfs/dbraw/zinc/32/54/23/455325423.db2.gz XNTCUZSEMFJTEB-OAHLLOKOSA-N 1 0 347.459 3.154 20 5 EGBDRO CC[NH+](CC)[C@@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)CC(C)C ZINC000173707736 455328793 /nfs/dbraw/zinc/32/87/93/455328793.db2.gz GLIXPCHJUAVLNR-QGZVFWFLSA-N 1 0 335.448 3.010 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCOCC2(CCOCC2)C1 ZINC000184088431 455352094 /nfs/dbraw/zinc/35/20/94/455352094.db2.gz PHSPSNFSWDEJFT-HNNXBMFYSA-N 1 0 334.416 3.093 20 5 EGBDRO CSC[C@@](C)(O)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000265675714 455359595 /nfs/dbraw/zinc/35/95/95/455359595.db2.gz HQYAUMGANSPDPT-INIZCTEOSA-N 1 0 336.413 3.058 20 5 EGBDRO C[C@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])CC[C@H]1NC(=O)OC(C)(C)C ZINC000265807889 455384964 /nfs/dbraw/zinc/38/49/64/455384964.db2.gz DYJSFPSXBFKSDY-DZGCQCFKSA-N 1 0 349.431 3.330 20 5 EGBDRO CC(C)c1ccc(C[NH2+]C(C)(C)CCS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000174640967 455408652 /nfs/dbraw/zinc/40/86/52/455408652.db2.gz PTJSIFLERISQCM-UHFFFAOYSA-N 1 0 342.461 3.021 20 5 EGBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000184693469 455429182 /nfs/dbraw/zinc/42/91/82/455429182.db2.gz TWDHVEZCHVCBFW-QGZVFWFLSA-N 1 0 347.459 3.012 20 5 EGBDRO Cc1ccc(C[C@H](CO)[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000191583200 455499470 /nfs/dbraw/zinc/49/94/70/455499470.db2.gz HTMJNMHBRQEKQM-QFBILLFUSA-N 1 0 342.439 3.418 20 5 EGBDRO C[NH+](C)[C@@]1(CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)CCSC1 ZINC000267134489 455505881 /nfs/dbraw/zinc/50/58/81/455505881.db2.gz WLMGEFGHKWTESX-CQSZACIVSA-N 1 0 347.387 3.045 20 5 EGBDRO O=[N+]([O-])c1cccc(OCC[NH2+][C@@H]2CCO[C@H]2c2ccccc2)c1 ZINC000191968319 455536325 /nfs/dbraw/zinc/53/63/25/455536325.db2.gz GCKGADQSIIRYLT-MSOLQXFVSA-N 1 0 328.368 3.093 20 5 EGBDRO CC(=O)Nc1cccc([C@@H](C)[NH2+]CCOc2ccccc2[N+](=O)[O-])c1 ZINC000182545278 455537557 /nfs/dbraw/zinc/53/75/57/455537557.db2.gz FTVWKFVIMIDELF-CYBMUJFWSA-N 1 0 343.383 3.283 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC000182604957 455551705 /nfs/dbraw/zinc/55/17/05/455551705.db2.gz TZJFFEBBCKOHFM-OAHLLOKOSA-N 1 0 341.411 3.492 20 5 EGBDRO Cc1ccc(C[N@H+]2CCC[C@H](CC(=O)OC(C)C)C2)cc1[N+](=O)[O-] ZINC000185579296 455580507 /nfs/dbraw/zinc/58/05/07/455580507.db2.gz OETUWUBNTFJOFT-OAHLLOKOSA-N 1 0 334.416 3.457 20 5 EGBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccc(C(=O)N(C)C)cc1 ZINC000292263326 455611782 /nfs/dbraw/zinc/61/17/82/455611782.db2.gz SXBPRIXSTKRNNC-CQSZACIVSA-N 1 0 341.411 3.190 20 5 EGBDRO O=[N+]([O-])c1cnc(NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)s1 ZINC000192450522 455619964 /nfs/dbraw/zinc/61/99/64/455619964.db2.gz FTSLUGWQIYWIMQ-AWEZNQCLSA-N 1 0 332.429 3.028 20 5 EGBDRO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)c1 ZINC000268231452 455625238 /nfs/dbraw/zinc/62/52/38/455625238.db2.gz FCDRUUSQXDQATC-PBHICJAKSA-N 1 0 346.383 3.155 20 5 EGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1cnn(CC)c1 ZINC000271420049 455630239 /nfs/dbraw/zinc/63/02/39/455630239.db2.gz AGHAHCYPLWRWIJ-CQSZACIVSA-N 1 0 334.445 3.472 20 5 EGBDRO CC(C)[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@H](C)c1ccccc1 ZINC000292330558 455631040 /nfs/dbraw/zinc/63/10/40/455631040.db2.gz WHNKWXFUQOMWJN-OAHLLOKOSA-N 1 0 329.400 3.228 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000268257968 455632904 /nfs/dbraw/zinc/63/29/04/455632904.db2.gz KOSFQPYLVDIZPT-HOCLYGCPSA-N 1 0 346.383 3.285 20 5 EGBDRO Cc1cc(NC(=O)NCc2ccc(C[NH+](C)C)cc2)ccc1[N+](=O)[O-] ZINC000193559955 455764591 /nfs/dbraw/zinc/76/45/91/455764591.db2.gz SPQFTFCSWYEISM-UHFFFAOYSA-N 1 0 342.399 3.287 20 5 EGBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000249751067 455773549 /nfs/dbraw/zinc/77/35/49/455773549.db2.gz AYKMQNGGDKWCDP-RBSFLKMASA-N 1 0 348.447 3.075 20 5 EGBDRO C[C@@H]([NH2+][C@@H](C)C(=O)N1C[C@H](C)C[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000249774590 455775881 /nfs/dbraw/zinc/77/58/81/455775881.db2.gz VPWNEQCJSRZNIB-BARDWOONSA-N 1 0 333.432 3.138 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1N1CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C1)CCN2 ZINC000278360201 455828846 /nfs/dbraw/zinc/82/88/46/455828846.db2.gz KGKQOOIKNWXJPS-DYVFJYSZSA-N 1 0 342.443 3.016 20 5 EGBDRO C[N@H+](Cc1cc(=O)oc2ccc3ccccc3c12)CC(C)(C)CO ZINC000295180843 455841932 /nfs/dbraw/zinc/84/19/32/455841932.db2.gz HZOUVDWUPNVXHV-UHFFFAOYSA-N 1 0 325.408 3.397 20 5 EGBDRO CC1(C)CC[C@H](C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)O1 ZINC000187097499 455869818 /nfs/dbraw/zinc/86/98/18/455869818.db2.gz AWVXTMDVXJEHSI-QGZVFWFLSA-N 1 0 334.416 3.396 20 5 EGBDRO O=[N+]([O-])c1ccn(CC[N@H+]2CC=C(c3cccc(Cl)c3)CC2)n1 ZINC000280161670 455905783 /nfs/dbraw/zinc/90/57/83/455905783.db2.gz FCZDLGFCXXPSEG-UHFFFAOYSA-N 1 0 332.791 3.234 20 5 EGBDRO Cc1c(CN2CC[NH2+]C[C@H]2c2cccc(F)c2)cccc1[N+](=O)[O-] ZINC000261761857 455943647 /nfs/dbraw/zinc/94/36/47/455943647.db2.gz OAZHATTUVCSSMX-SFHVURJKSA-N 1 0 329.375 3.189 20 5 EGBDRO O=[N+]([O-])c1cccc(F)c1CN1CC[NH2+]C[C@@H]1c1cccc(F)c1 ZINC000261826429 455954536 /nfs/dbraw/zinc/95/45/36/455954536.db2.gz SPYNOJRPHUFEPH-QGZVFWFLSA-N 1 0 333.338 3.020 20 5 EGBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000296676940 456007567 /nfs/dbraw/zinc/00/75/67/456007567.db2.gz HSADZQDVFGWKFV-LJISPDSOSA-N 1 0 333.432 3.423 20 5 EGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](CC)CCO ZINC000271071833 456118249 /nfs/dbraw/zinc/11/82/49/456118249.db2.gz FKHSQNSKLUHRKR-UONOGXRCSA-N 1 0 326.462 3.464 20 5 EGBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H](O)c2ccc(C)o2)cc1[N+](=O)[O-] ZINC000271134001 456136361 /nfs/dbraw/zinc/13/63/61/456136361.db2.gz MMIUMVTXEAUMIJ-SWLSCSKDSA-N 1 0 334.372 3.279 20 5 EGBDRO CCOC1CC(CC[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000188788189 456137754 /nfs/dbraw/zinc/13/77/54/456137754.db2.gz AKXDHZZBHRRZJR-UHFFFAOYSA-N 1 0 344.358 3.491 20 5 EGBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000301558546 456145884 /nfs/dbraw/zinc/14/58/84/456145884.db2.gz TWVKKLXFUTXGMI-CMPLNLGQSA-N 1 0 331.338 3.390 20 5 EGBDRO Cc1cccc([C@H]2CC[N@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)c1 ZINC000273039722 456156292 /nfs/dbraw/zinc/15/62/92/456156292.db2.gz DQIBNGPCXBVSMS-PKOBYXMFSA-N 1 0 326.396 3.426 20 5 EGBDRO C[C@@H](CCNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)[NH+]1CCCCC1 ZINC000273211018 456216169 /nfs/dbraw/zinc/21/61/69/456216169.db2.gz JQSJMCAEIGOJIO-ZDUSSCGKSA-N 1 0 344.415 3.070 20 5 EGBDRO C[C@H](NC(=O)N1CCC(CC[NH+](C)C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000297547433 456247941 /nfs/dbraw/zinc/24/79/41/456247941.db2.gz JLISMMBQFKCRDY-AWEZNQCLSA-N 1 0 348.447 3.029 20 5 EGBDRO CC1CC[NH+](CCNc2ccc([N+](=O)[O-])cc2OC(F)F)CC1 ZINC000302072607 456279912 /nfs/dbraw/zinc/27/99/12/456279912.db2.gz ZIPSNGQTNNFYOE-UHFFFAOYSA-N 1 0 329.347 3.340 20 5 EGBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CCN(CC(F)(F)F)[C@H](C)C1 ZINC000342867476 456283754 /nfs/dbraw/zinc/28/37/54/456283754.db2.gz BVJWYOHZTQFREU-VXGBXAGGSA-N 1 0 331.338 3.224 20 5 EGBDRO C[N@@H+]1CCCC12CCN(c1ccnc3ccc([N+](=O)[O-])cc31)CC2 ZINC000601136319 460726139 /nfs/dbraw/zinc/72/61/39/460726139.db2.gz CUKUWDYLKPPQEF-UHFFFAOYSA-N 1 0 326.400 3.208 20 5 EGBDRO C[C@@H](C[NH+]1CCCCC1)Nc1ccc([N+](=O)[O-])cc1OC(F)F ZINC000302176948 456307909 /nfs/dbraw/zinc/30/79/09/456307909.db2.gz XMYBXSIIPCDICO-NSHDSACASA-N 1 0 329.347 3.483 20 5 EGBDRO Cc1cc(N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000302191812 456312746 /nfs/dbraw/zinc/31/27/46/456312746.db2.gz ZLTOPNMQJZXANL-GOEBONIOSA-N 1 0 326.400 3.231 20 5 EGBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2C[C@@H](CO)C2)ccc1Oc1ccc(F)cc1 ZINC000601139604 460728322 /nfs/dbraw/zinc/72/83/22/460728322.db2.gz GYIMBAXAQXGWOE-OTVXOJSOSA-N 1 0 346.358 3.387 20 5 EGBDRO C[C@@H](CCCNC(=O)OC(C)(C)C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000290730154 456416261 /nfs/dbraw/zinc/41/62/61/456416261.db2.gz PHHTXMMVXVIFJL-ZDUSSCGKSA-N 1 0 337.420 3.378 20 5 EGBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1cc(N)ccc1[N+](=O)[O-] ZINC000282151387 456426819 /nfs/dbraw/zinc/42/68/19/456426819.db2.gz FRMOWOXCDBPBOV-YOEHRIQHSA-N 1 0 340.427 3.500 20 5 EGBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1cc(N)ccc1[N+](=O)[O-] ZINC000282151385 456426905 /nfs/dbraw/zinc/42/69/05/456426905.db2.gz FRMOWOXCDBPBOV-RHSMWYFYSA-N 1 0 340.427 3.500 20 5 EGBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000303755613 456483864 /nfs/dbraw/zinc/48/38/64/456483864.db2.gz GKLSKTGSADEZDQ-QGZVFWFLSA-N 1 0 339.439 3.344 20 5 EGBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1c1ccc(F)cc1[N+](=O)[O-] ZINC000303585375 456470371 /nfs/dbraw/zinc/47/03/71/456470371.db2.gz NMSCJRKHKLIDCS-CQSZACIVSA-N 1 0 329.375 3.445 20 5 EGBDRO C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)cc2)C1 ZINC000343263697 456493052 /nfs/dbraw/zinc/49/30/52/456493052.db2.gz NCILVVVIPDMWBR-ZDUSSCGKSA-N 1 0 342.399 3.407 20 5 EGBDRO CCCN(CC[NH+]1CCCC1)c1cc(OC)c([N+](=O)[O-])cc1F ZINC000343269475 456497235 /nfs/dbraw/zinc/49/72/35/456497235.db2.gz JFXVXVYXNQVNKP-UHFFFAOYSA-N 1 0 325.384 3.055 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccccc2Cn2ccnc2)c(F)c1 ZINC000348185253 456523078 /nfs/dbraw/zinc/52/30/78/456523078.db2.gz JEBZXUSJRCTTNE-UHFFFAOYSA-N 1 0 340.358 3.269 20 5 EGBDRO C[C@@H]1C[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CN1Cc1ccccc1 ZINC000305216381 456538584 /nfs/dbraw/zinc/53/85/84/456538584.db2.gz IXUKKKHQIJZABW-VQIMIIECSA-N 1 0 339.439 3.390 20 5 EGBDRO CNC(=O)CC[C@@H]1CCCC[N@@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000353188854 456546662 /nfs/dbraw/zinc/54/66/62/456546662.db2.gz ZTCRZPTZNCLMKN-LBPRGKRZSA-N 1 0 339.823 3.129 20 5 EGBDRO C[C@H](C1CC[NH+](C)CC1)N(C)c1nc2ccccc2cc1[N+](=O)[O-] ZINC000276711992 456558760 /nfs/dbraw/zinc/55/87/60/456558760.db2.gz YNCVHHDJHINUMK-CYBMUJFWSA-N 1 0 328.416 3.310 20 5 EGBDRO CC[C@H](C)[NH2+][C@@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000353329244 456642517 /nfs/dbraw/zinc/64/25/17/456642517.db2.gz KEEDWRDFUHUCKU-WFASDCNBSA-N 1 0 346.387 3.439 20 5 EGBDRO CCC[C@H]([NH2+][C@H]1CC(=O)N2CCCC[C@H]12)c1cccc([N+](=O)[O-])c1 ZINC000338009997 456654454 /nfs/dbraw/zinc/65/44/54/456654454.db2.gz HGMPLFGGQGJCII-YESZJQIVSA-N 1 0 331.416 3.179 20 5 EGBDRO CC1(C)C[C@@H]([NH2+][C@H]2CCC(=O)NC23CCC3)c2cc([N+](=O)[O-])ccc21 ZINC000282958088 456674861 /nfs/dbraw/zinc/67/48/61/456674861.db2.gz CJLFBJBVMDEOMH-CVEARBPZSA-N 1 0 343.427 3.108 20 5 EGBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000353468937 456700378 /nfs/dbraw/zinc/70/03/78/456700378.db2.gz ASSXXLCKJRAYNC-ZIAGYGMSSA-N 1 0 333.432 3.273 20 5 EGBDRO COc1ccc(C[NH2+][C@H](C)[C@H]2OCCc3sccc32)cc1[N+](=O)[O-] ZINC000291648493 456707203 /nfs/dbraw/zinc/70/72/03/456707203.db2.gz CMAQGNOFFXVJKB-PIGZYNQJSA-N 1 0 348.424 3.457 20 5 EGBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(Nc2c([N+](=O)[O-])ncn2C)cc1 ZINC000340863238 456727812 /nfs/dbraw/zinc/72/78/12/456727812.db2.gz OLBRBYSFHPIXKJ-CYBMUJFWSA-N 1 0 329.404 3.446 20 5 EGBDRO C[NH+](C)CC[C@@H](NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)C(C)(C)C ZINC000340918888 456761134 /nfs/dbraw/zinc/76/11/34/456761134.db2.gz OWQYQLQXQUXTTF-OAHLLOKOSA-N 1 0 346.431 3.172 20 5 EGBDRO C[C@H](c1ccccn1)[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000299714847 456772103 /nfs/dbraw/zinc/77/21/03/456772103.db2.gz REVXWEFCYBCEMF-CYBMUJFWSA-N 1 0 328.372 3.011 20 5 EGBDRO CC[C@@H]1CC[C@H](C)[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000299725147 456773768 /nfs/dbraw/zinc/77/37/68/456773768.db2.gz UEVQWRVHMFTEOC-QWHCGFSZSA-N 1 0 335.404 3.195 20 5 EGBDRO CC[C@H]1CC[C@@H](C)[N@@H+]1CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000299726475 456775505 /nfs/dbraw/zinc/77/55/05/456775505.db2.gz UXOBYXVHJMHFMC-OLZOCXBDSA-N 1 0 335.404 3.195 20 5 EGBDRO CC[C@@]1(C)CC[N@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000344219426 456807373 /nfs/dbraw/zinc/80/73/73/456807373.db2.gz PKQURSJNIMFSRB-KRWDZBQOSA-N 1 0 335.404 3.054 20 5 EGBDRO COCCOc1cccc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000348668698 456808565 /nfs/dbraw/zinc/80/85/65/456808565.db2.gz DRKUCHPPWCTISZ-UHFFFAOYSA-N 1 0 344.411 3.295 20 5 EGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CCOCC(F)(F)C(F)F ZINC000277440212 456826745 /nfs/dbraw/zinc/82/67/45/456826745.db2.gz DVYKBCKVGUVMJR-UHFFFAOYSA-N 1 0 344.692 3.255 20 5 EGBDRO CO[C@@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1(C)C ZINC000344700528 456849773 /nfs/dbraw/zinc/84/97/73/456849773.db2.gz QKEJVPFDQXIDSX-QWHCGFSZSA-N 1 0 330.331 3.099 20 5 EGBDRO CC(C)([NH2+]CC1CCC2(CC1)OCCO2)c1ccccc1[N+](=O)[O-] ZINC000292089662 456852788 /nfs/dbraw/zinc/85/27/88/456852788.db2.gz GNILGSQJUDPOIT-UHFFFAOYSA-N 1 0 334.416 3.353 20 5 EGBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)Nc1ncnc2sc([N+](=O)[O-])cc21 ZINC000341839822 456966299 /nfs/dbraw/zinc/96/62/99/456966299.db2.gz GXIQSUNFIZGCGY-QWRGUYRKSA-N 1 0 335.433 3.132 20 5 EGBDRO CC[N@@H+]1CCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)[C@H](C)C1 ZINC000339192951 456985880 /nfs/dbraw/zinc/98/58/80/456985880.db2.gz ZJVOJGWIFQDRKW-LLVKDONJSA-N 1 0 331.338 3.140 20 5 EGBDRO C[C@H]([NH2+]Cc1cc([O-])ccc1[N+](=O)[O-])[C@@H]1OCCc2sccc21 ZINC000339215337 456995581 /nfs/dbraw/zinc/99/55/81/456995581.db2.gz UYZKPVHMBVWESD-QFYYESIMSA-N 1 0 334.397 3.154 20 5 EGBDRO Cc1ccc(NC(=O)NCC2(C[NH+](C)C)CCCC2)cc1[N+](=O)[O-] ZINC000354042625 457028354 /nfs/dbraw/zinc/02/83/54/457028354.db2.gz QXYXIICVRJGJSJ-UHFFFAOYSA-N 1 0 334.420 3.147 20 5 EGBDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000356805215 457175737 /nfs/dbraw/zinc/17/57/37/457175737.db2.gz LMAWFEUHZWHXAS-JTQLQIEISA-N 1 0 347.337 3.072 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CC[C@@H](CC4CC4)C3)o2)cc1 ZINC000339676767 457206877 /nfs/dbraw/zinc/20/68/77/457206877.db2.gz YXWYVCWZKOKFPJ-ZDUSSCGKSA-N 1 0 328.372 3.267 20 5 EGBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000354424469 457213503 /nfs/dbraw/zinc/21/35/03/457213503.db2.gz ZUTBQXZTXDORAD-CQSZACIVSA-N 1 0 345.399 3.335 20 5 EGBDRO COc1cc(C[NH2+][C@@H](C)Cc2cccc(O)c2)c([N+](=O)[O-])cc1OC ZINC000356922883 457221912 /nfs/dbraw/zinc/22/19/12/457221912.db2.gz QTJANWUUPRPXND-LBPRGKRZSA-N 1 0 346.383 3.038 20 5 EGBDRO C[C@@H]1CCC[C@H](C[NH+]2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000339740784 457243725 /nfs/dbraw/zinc/24/37/25/457243725.db2.gz LFISQNKDRHZIFO-CVEARBPZSA-N 1 0 345.443 3.179 20 5 EGBDRO CC(C)CCC1CC[NH+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000347155755 457259987 /nfs/dbraw/zinc/25/99/87/457259987.db2.gz DDDGEEMGGJJHCY-UHFFFAOYSA-N 1 0 333.432 3.342 20 5 EGBDRO CC1(C)CC[NH+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1 ZINC000332066645 457296954 /nfs/dbraw/zinc/29/69/54/457296954.db2.gz TUQYFSRJSFVXPI-UHFFFAOYSA-N 1 0 333.388 3.015 20 5 EGBDRO C[C@@H](C[N@H+](C)Cc1ccccc1)NCc1ccc([N+](=O)[O-])cc1F ZINC000342438957 457304919 /nfs/dbraw/zinc/30/49/19/457304919.db2.gz KKLBEIXGQGOGRN-AWEZNQCLSA-N 1 0 331.391 3.344 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000332327044 457349874 /nfs/dbraw/zinc/34/98/74/457349874.db2.gz RPNZWFWYXPZYGE-OAHLLOKOSA-N 1 0 346.431 3.208 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000332354660 457354595 /nfs/dbraw/zinc/35/45/95/457354595.db2.gz ZHEXGVFSRLGMBO-OAHLLOKOSA-N 1 0 346.431 3.065 20 5 EGBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000332362253 457355566 /nfs/dbraw/zinc/35/55/66/457355566.db2.gz CYHMXYSGPJMCCG-DAYGRLMNSA-N 1 0 345.443 3.001 20 5 EGBDRO COCCOC1CC[NH+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000347361521 457375503 /nfs/dbraw/zinc/37/55/03/457375503.db2.gz PBDBYYOSCFJPIB-QINSGFPZSA-N 1 0 334.416 3.126 20 5 EGBDRO CC(C)(C)c1ccc(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000373933487 457408232 /nfs/dbraw/zinc/40/82/32/457408232.db2.gz MHNITTOHYDDQGI-GJZGRUSLSA-N 1 0 345.443 3.249 20 5 EGBDRO CCCO[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000373960363 457416372 /nfs/dbraw/zinc/41/63/72/457416372.db2.gz CRPJVURSQLLMCY-QGZVFWFLSA-N 1 0 349.431 3.205 20 5 EGBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000360896162 457418023 /nfs/dbraw/zinc/41/80/23/457418023.db2.gz DITZFPQGKCBPRV-GDBMZVCRSA-N 1 0 349.479 3.210 20 5 EGBDRO C[N@H+](Cc1ccc(Br)cc1[N+](=O)[O-])[C@@H](CO)C(C)(C)C ZINC000425412787 457540832 /nfs/dbraw/zinc/54/08/32/457540832.db2.gz ANKLCYWUVIHXOB-ZDUSSCGKSA-N 1 0 345.237 3.196 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000374410078 457616811 /nfs/dbraw/zinc/61/68/11/457616811.db2.gz GEMRGMGZHYIBMJ-HUUCEWRRSA-N 1 0 334.416 3.240 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@H]2CCc3c[nH]nc3C2)o1 ZINC000374543132 457653874 /nfs/dbraw/zinc/65/38/74/457653874.db2.gz ZRCDNZZXTNEOBN-ZDUSSCGKSA-N 1 0 338.367 3.225 20 5 EGBDRO CC[C@H]([NH2+][C@@H]1CCc2nc(C)ncc2C1)c1cccc([N+](=O)[O-])c1 ZINC000374559791 457661297 /nfs/dbraw/zinc/66/12/97/457661297.db2.gz BKRXAQSQDYFJDA-WBVHZDCISA-N 1 0 326.400 3.291 20 5 EGBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N(C1CC1)C1CC[NH2+]CC1 ZINC000370787552 457719227 /nfs/dbraw/zinc/71/92/27/457719227.db2.gz NXUKGYWFRBHDCS-UHFFFAOYSA-N 1 0 345.424 3.166 20 5 EGBDRO C[N@@H+]1CCCC12CCN(c1cc(C(F)(F)F)ncc1[N+](=O)[O-])CC2 ZINC000364976299 457720800 /nfs/dbraw/zinc/72/08/00/457720800.db2.gz UQKFGRHAFLELIW-UHFFFAOYSA-N 1 0 344.337 3.073 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+]C2CCN(CC(F)F)CC2)c(Cl)c1 ZINC000361457420 457737951 /nfs/dbraw/zinc/73/79/51/457737951.db2.gz AFYLJWJHZRADCF-UHFFFAOYSA-N 1 0 333.766 3.067 20 5 EGBDRO CC[N@H+](CC1CCC1)[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000361485510 457747245 /nfs/dbraw/zinc/74/72/45/457747245.db2.gz ODMAXMFSXWVPRG-LBPRGKRZSA-N 1 0 335.404 3.052 20 5 EGBDRO C[C@H](C[NH+]1CCCCCC1)NC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000361532234 457776459 /nfs/dbraw/zinc/77/64/59/457776459.db2.gz WQYHLHIYHWZJRT-CABCVRRESA-N 1 0 348.447 3.220 20 5 EGBDRO CC1(C)C[C@@H]([NH2+][C@H](CCO)C2CCOCC2)c2cc([N+](=O)[O-])ccc21 ZINC000433231683 457786132 /nfs/dbraw/zinc/78/61/32/457786132.db2.gz JTEABTVBIVNLPN-QZTJIDSGSA-N 1 0 348.443 3.084 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](C)C[C@@H](C)C1 ZINC000443644573 457797109 /nfs/dbraw/zinc/79/71/09/457797109.db2.gz YNORTPQAJMPURX-ZIAGYGMSSA-N 1 0 349.431 3.300 20 5 EGBDRO C[NH+](C)C1(CNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000411129523 457809438 /nfs/dbraw/zinc/80/94/38/457809438.db2.gz GTSGFHJRZYBRHZ-DLBZAZTESA-N 1 0 345.443 3.079 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCOC3(CCOCC3)C2)cc1[N+](=O)[O-] ZINC000358287187 457912262 /nfs/dbraw/zinc/91/22/62/457912262.db2.gz AQINOOWWHJBVJX-HOCLYGCPSA-N 1 0 334.416 3.282 20 5 EGBDRO CC[C@@H]1CCCC[C@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000411557536 457919027 /nfs/dbraw/zinc/91/90/27/457919027.db2.gz ZNPQBCUJEWWRCO-UKRRQHHQSA-N 1 0 349.431 3.490 20 5 EGBDRO CC(C)c1ccc(C[NH2+][C@H]2CCC(=O)NC23CCC3)cc1[N+](=O)[O-] ZINC000367033702 457920568 /nfs/dbraw/zinc/92/05/68/457920568.db2.gz PRYSKFUSVXNZLX-INIZCTEOSA-N 1 0 331.416 3.009 20 5 EGBDRO CC[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCC[C@H]1C ZINC000444660132 457929511 /nfs/dbraw/zinc/92/95/11/457929511.db2.gz RMMNXJWUWMBXRP-RHSMWYFYSA-N 1 0 333.432 3.458 20 5 EGBDRO COc1ccc(C[NH2+]C2CC(OCc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000361902890 457943582 /nfs/dbraw/zinc/94/35/82/457943582.db2.gz YWKWIOCHMPNETG-UHFFFAOYSA-N 1 0 342.395 3.441 20 5 EGBDRO CCCNC(=O)CCC[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000411784895 457978150 /nfs/dbraw/zinc/97/81/50/457978150.db2.gz HWNYOSPWPLXSPZ-INIZCTEOSA-N 1 0 333.432 3.081 20 5 EGBDRO Cc1ccc(CN2CC[N@@H+](C)C[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000434991633 458075763 /nfs/dbraw/zinc/07/57/63/458075763.db2.gz NYIPDKKJMXRURF-LJQANCHMSA-N 1 0 325.412 3.392 20 5 EGBDRO C[NH+](C)CC[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000412120881 458098699 /nfs/dbraw/zinc/09/86/99/458098699.db2.gz COOGDBNTVLQURQ-GVDBMIGSSA-N 1 0 347.459 3.181 20 5 EGBDRO C[C@H]([NH3+])[C@@H]1CCCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000435381917 458130768 /nfs/dbraw/zinc/13/07/68/458130768.db2.gz YQQBUZUJYNOARS-GXTWGEPZSA-N 1 0 346.456 3.278 20 5 EGBDRO Cc1cccc(C[N@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])c1C ZINC000428756853 458207249 /nfs/dbraw/zinc/20/72/49/458207249.db2.gz HOQWYRHBUYRUEF-KRWDZBQOSA-N 1 0 344.411 3.083 20 5 EGBDRO CCOC(=O)[C@@]1(C(C)C)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000446880678 458240480 /nfs/dbraw/zinc/24/04/80/458240480.db2.gz GWRILIMFGJOLMP-KRWDZBQOSA-N 1 0 338.379 3.145 20 5 EGBDRO CCN(CCC[NH+]1CCCC1)c1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000436358413 458294621 /nfs/dbraw/zinc/29/46/21/458294621.db2.gz ARKKXLAVOYRPLP-UHFFFAOYSA-N 1 0 346.353 3.321 20 5 EGBDRO C[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447544543 458309297 /nfs/dbraw/zinc/30/92/97/458309297.db2.gz VZPNQPPVNFWMBB-COXVUDFISA-N 1 0 344.415 3.201 20 5 EGBDRO Cc1ccsc1CC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447572228 458313562 /nfs/dbraw/zinc/31/35/62/458313562.db2.gz AJFHCZXFUFKUID-UONOGXRCSA-N 1 0 334.445 3.477 20 5 EGBDRO C[C@@H]([NH3+])c1ccc(CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000429477723 458336894 /nfs/dbraw/zinc/33/68/94/458336894.db2.gz QJRXSVAHZUOMSR-CYBMUJFWSA-N 1 0 341.411 3.209 20 5 EGBDRO C[N@@H+]1CC[C@@]2(CCN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2)C1 ZINC000430134657 458407575 /nfs/dbraw/zinc/40/75/75/458407575.db2.gz REQXWBQRBJRBBE-LJQANCHMSA-N 1 0 341.411 3.382 20 5 EGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1NCCc2ccccc21 ZINC000423430163 458431643 /nfs/dbraw/zinc/43/16/43/458431643.db2.gz POCIXDQLGHPFJH-KDOFPFPSSA-N 1 0 325.412 3.002 20 5 EGBDRO [NH3+][C@@H](CC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccccc1 ZINC000423728779 458476472 /nfs/dbraw/zinc/47/64/72/458476472.db2.gz ULEWHPIUWZLGPH-KRWDZBQOSA-N 1 0 339.395 3.176 20 5 EGBDRO CCC[C@H]([NH2+]CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C1CCC1 ZINC000459803727 458482720 /nfs/dbraw/zinc/48/27/20/458482720.db2.gz OEUHFECLMMMWLJ-HNNXBMFYSA-N 1 0 349.431 3.490 20 5 EGBDRO CCC[C@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CCC1 ZINC000459809357 458484221 /nfs/dbraw/zinc/48/42/21/458484221.db2.gz SNGAMSFDRSEWIN-INIZCTEOSA-N 1 0 331.416 3.042 20 5 EGBDRO O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000437850926 458502580 /nfs/dbraw/zinc/50/25/80/458502580.db2.gz JODDWPWCTXYIQP-OAHLLOKOSA-N 1 0 349.406 3.261 20 5 EGBDRO CCCCC[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000460356769 458513686 /nfs/dbraw/zinc/51/36/86/458513686.db2.gz PFZMJSDXATZZBO-UHFFFAOYSA-N 1 0 331.420 3.173 20 5 EGBDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000460911679 458540376 /nfs/dbraw/zinc/54/03/76/458540376.db2.gz RUODQVSXQUOOLT-HNNXBMFYSA-N 1 0 333.432 3.288 20 5 EGBDRO CCc1ccc(C(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)cc1[N+](=O)[O-] ZINC000424039467 458542933 /nfs/dbraw/zinc/54/29/33/458542933.db2.gz KAXHTMDVNMQLDO-KRWDZBQOSA-N 1 0 345.443 3.007 20 5 EGBDRO CC(C)C[C@@H]1CCC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000469243784 458562140 /nfs/dbraw/zinc/56/21/40/458562140.db2.gz TUBYDNMRYZJDLT-RDJZCZTQSA-N 1 0 336.432 3.093 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000373810412 458609242 /nfs/dbraw/zinc/60/92/42/458609242.db2.gz LUBOQPSZPJYHEB-RVKKMQEKSA-N 1 0 334.416 3.234 20 5 EGBDRO C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000493990074 458613845 /nfs/dbraw/zinc/61/38/45/458613845.db2.gz XCGMPFQFNDCHIR-ZFWWWQNUSA-N 1 0 349.431 3.330 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[NH+](CCOC(C)C)CC1 ZINC000470176437 458621432 /nfs/dbraw/zinc/62/14/32/458621432.db2.gz KXFOTTNUAZUZMP-LGMDPLHJSA-N 1 0 347.459 3.041 20 5 EGBDRO CCc1ccc(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000471338116 458689689 /nfs/dbraw/zinc/68/96/89/458689689.db2.gz WVOJUIMMLMMFBF-KBPBESRZSA-N 1 0 333.432 3.150 20 5 EGBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](C)c1cccc(O)c1 ZINC000433037422 458831310 /nfs/dbraw/zinc/83/13/10/458831310.db2.gz FEJJGCUQHSYUCS-CHWSQXEVSA-N 1 0 343.383 3.368 20 5 EGBDRO Cc1cc(NC(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)ccc1[N+](=O)[O-] ZINC000473790038 458843752 /nfs/dbraw/zinc/84/37/52/458843752.db2.gz SXIZQPQIZARIAX-OAHLLOKOSA-N 1 0 348.447 3.393 20 5 EGBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000495432128 458854861 /nfs/dbraw/zinc/85/48/61/458854861.db2.gz HADTVYCZLWTOLS-IUODEOHRSA-N 1 0 349.431 3.248 20 5 EGBDRO CC(C)c1ccc(C(=O)NCCCC[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000457165778 458886658 /nfs/dbraw/zinc/88/66/58/458886658.db2.gz KVGBLCZAYIFEDC-UHFFFAOYSA-N 1 0 333.432 3.322 20 5 EGBDRO C[C@@H](C(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000519047235 458910437 /nfs/dbraw/zinc/91/04/37/458910437.db2.gz SAKPGYMYBQHBEO-XUWVNRHRSA-N 1 0 347.459 3.181 20 5 EGBDRO CCC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](CC)c1ccccc1 ZINC000441285263 458913227 /nfs/dbraw/zinc/91/32/27/458913227.db2.gz LLMCAYYOTUQLOS-ZWKOTPCHSA-N 1 0 346.431 3.016 20 5 EGBDRO Cc1ccc(C[C@@H](CO)[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])cc1 ZINC000466903288 458931555 /nfs/dbraw/zinc/93/15/55/458931555.db2.gz RPRJWSGAEDZTTM-SUZKBHRPSA-N 1 0 326.396 3.110 20 5 EGBDRO CC(C)C[C@@H]1CC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000467173853 458955924 /nfs/dbraw/zinc/95/59/24/458955924.db2.gz SAKGNUDYTZANPC-YOEHRIQHSA-N 1 0 331.416 3.068 20 5 EGBDRO CCOC(=O)c1cc(N[C@H](C)C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000467733135 458984793 /nfs/dbraw/zinc/98/47/93/458984793.db2.gz UEQCRQBBDSLIAT-CYBMUJFWSA-N 1 0 335.404 3.058 20 5 EGBDRO C[C@H](C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000566774424 458998067 /nfs/dbraw/zinc/99/80/67/458998067.db2.gz GOBDGPOOCQRYHC-XHSDSOJGSA-N 1 0 347.459 3.183 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CC[C@](O)(C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000589950192 459055961 /nfs/dbraw/zinc/05/59/61/459055961.db2.gz YBIAQNRESIMVER-ZKYQVNSYSA-N 1 0 332.322 3.400 20 5 EGBDRO C[C@@H](C(=O)N(C)CC[N@H+](C)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000567207834 459062811 /nfs/dbraw/zinc/06/28/11/459062811.db2.gz DCIKXYONOOWMRH-OAHLLOKOSA-N 1 0 347.459 3.421 20 5 EGBDRO CC[C@H](C)[C@@H](C)[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000520608502 459077141 /nfs/dbraw/zinc/07/71/41/459077141.db2.gz ITPSIECDZXSRDY-JJRVBVJISA-N 1 0 336.432 3.234 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](CO)C1CCCCC1 ZINC000590194577 459099598 /nfs/dbraw/zinc/09/95/98/459099598.db2.gz KGVWEDFNWYMEKG-INIZCTEOSA-N 1 0 336.432 3.272 20 5 EGBDRO COC(=O)N1CCC([C@H](C)[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000496338926 459155761 /nfs/dbraw/zinc/15/57/61/459155761.db2.gz FLQGIXVBGIDOAH-LRDDRELGSA-N 1 0 347.415 3.039 20 5 EGBDRO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C(C)(C)C ZINC000521557845 459161729 /nfs/dbraw/zinc/16/17/29/459161729.db2.gz WTVZLSRVXBEHQS-IAQYHMDHSA-N 1 0 337.420 3.345 20 5 EGBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]C[C@@H]1CCCCC1(F)F)OCCO2 ZINC000590655213 459172596 /nfs/dbraw/zinc/17/25/96/459172596.db2.gz YIVCEAJIVZQURU-LBPRGKRZSA-N 1 0 342.342 3.281 20 5 EGBDRO C[C@@H](CCc1ccccc1)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000533058438 459181983 /nfs/dbraw/zinc/18/19/83/459181983.db2.gz LNXONPDJOBRMOH-DOTOQJQBSA-N 1 0 340.427 3.497 20 5 EGBDRO C[C@H](CC[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000578435490 459200918 /nfs/dbraw/zinc/20/09/18/459200918.db2.gz DNCIEFZYSLUGCX-QAPCUYQASA-N 1 0 344.411 3.118 20 5 EGBDRO C[C@H](C1CCCCC1)[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000558734034 459205948 /nfs/dbraw/zinc/20/59/48/459205948.db2.gz MQHBTVNFZHFXKL-GDBMZVCRSA-N 1 0 336.432 3.235 20 5 EGBDRO C[C@H](c1ccccc1)[C@H](O)C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000595000550 459210571 /nfs/dbraw/zinc/21/05/71/459210571.db2.gz LGEVCNNATQTRHN-POCIPILMSA-N 1 0 326.396 3.362 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H](O)[C@H](C)c1ccccc1 ZINC000595107642 459246807 /nfs/dbraw/zinc/24/68/07/459246807.db2.gz OZSCLPWPPHKLGW-QWQRMKEZSA-N 1 0 344.411 3.419 20 5 EGBDRO CCc1ccc(C(=O)NCC(C)(C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000481617621 459266680 /nfs/dbraw/zinc/26/66/80/459266680.db2.gz VOQCVUJAPSITOP-UHFFFAOYSA-N 1 0 333.432 3.009 20 5 EGBDRO CC(C)[N@@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C1 ZINC000534148416 459294863 /nfs/dbraw/zinc/29/48/63/459294863.db2.gz RRHIMDNEYPRQBM-OAHLLOKOSA-N 1 0 340.427 3.221 20 5 EGBDRO COC(=O)c1ccc(C[NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)o1 ZINC000568642830 459321591 /nfs/dbraw/zinc/32/15/91/459321591.db2.gz CKQLDNJXUZNCGX-XYOKQWHBSA-N 1 0 330.340 3.168 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000591271652 459344754 /nfs/dbraw/zinc/34/47/54/459344754.db2.gz BKKAXTFLFBJJIO-HUUCEWRRSA-N 1 0 346.431 3.147 20 5 EGBDRO CN(C(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1)[C@H]1CC[NH2+]C1 ZINC000591681132 459421499 /nfs/dbraw/zinc/42/14/99/459421499.db2.gz SVYAONDBSHHZHO-ZDUSSCGKSA-N 1 0 349.456 3.063 20 5 EGBDRO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)CC1=CCCOC1 ZINC000595748247 459424768 /nfs/dbraw/zinc/42/47/68/459424768.db2.gz YWUAXUCNZCNJND-UHFFFAOYSA-N 1 0 330.306 3.392 20 5 EGBDRO C[C@H](C(=O)N1CCC[N@@H+](C(C)(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000582819717 459430904 /nfs/dbraw/zinc/43/09/04/459430904.db2.gz JPGMTTRLRWGWDC-AWEZNQCLSA-N 1 0 333.432 3.031 20 5 EGBDRO CN(CCC[NH3+])Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000582845479 459437359 /nfs/dbraw/zinc/43/73/59/459437359.db2.gz XMVTXKHMEWDWHX-UHFFFAOYSA-N 1 0 333.363 3.307 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC([C@H]2CCCCO2)CC1 ZINC000595789640 459441410 /nfs/dbraw/zinc/44/14/10/459441410.db2.gz RMLIOEKWJUCYIJ-GOSISDBHSA-N 1 0 334.416 3.385 20 5 EGBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000595791583 459443217 /nfs/dbraw/zinc/44/32/17/459443217.db2.gz WAQQLYIRRRUIAX-RDJZCZTQSA-N 1 0 334.416 3.255 20 5 EGBDRO CC(C)CC1([NH2+]CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000595832732 459458426 /nfs/dbraw/zinc/45/84/26/459458426.db2.gz YINKOXXNHYKOHP-UHFFFAOYSA-N 1 0 325.796 3.355 20 5 EGBDRO CC(C)[N@H+](C)Cc1ccccc1CNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596075750 459509872 /nfs/dbraw/zinc/50/98/72/459509872.db2.gz KMZIQFXRZDFRDO-UHFFFAOYSA-N 1 0 330.388 3.148 20 5 EGBDRO Cc1cc(NC2CC[NH+](Cc3ccccn3)CC2)c([N+](=O)[O-])s1 ZINC000596080504 459512147 /nfs/dbraw/zinc/51/21/47/459512147.db2.gz GPRQYQYKWNSZEQ-UHFFFAOYSA-N 1 0 332.429 3.436 20 5 EGBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C1CC(C(F)(F)F)C1 ZINC000562107699 459512186 /nfs/dbraw/zinc/51/21/86/459512186.db2.gz DVVXODADBSZEBK-BMQDGWLCSA-N 1 0 345.321 3.242 20 5 EGBDRO C[C@H](Cc1ccsc1)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000542152620 459529916 /nfs/dbraw/zinc/52/99/16/459529916.db2.gz ILXKXRAYKUVYAB-CQSZACIVSA-N 1 0 331.441 3.410 20 5 EGBDRO O=[N+]([O-])c1cccc(Br)c1N1CCC([NH2+]C2CC2)CC1 ZINC000596167014 459545999 /nfs/dbraw/zinc/54/59/99/459545999.db2.gz BDRPQIQQOCYEJN-UHFFFAOYSA-N 1 0 340.221 3.078 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@]1(C)CCO[C@H]1C1CC1 ZINC000543237262 459636815 /nfs/dbraw/zinc/63/68/15/459636815.db2.gz WHEAJZXNFFTZBI-ZWKOTPCHSA-N 1 0 334.416 3.429 20 5 EGBDRO COCC[N@H+](C)CCCC1CCN(c2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000499641606 459642705 /nfs/dbraw/zinc/64/27/05/459642705.db2.gz OITQMQFZMNBTGU-UHFFFAOYSA-N 1 0 349.475 3.478 20 5 EGBDRO Cc1cnc(N2CC[C@@H]([N@H+](C)CCc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000596467520 459647144 /nfs/dbraw/zinc/64/71/44/459647144.db2.gz RADVVTSJKSZCAF-QGZVFWFLSA-N 1 0 340.427 3.051 20 5 EGBDRO O=[N+]([O-])c1cc2c(ncnc2NC[C@@H]2CCC[N@H+](CC3CC3)C2)s1 ZINC000596570435 459680248 /nfs/dbraw/zinc/68/02/48/459680248.db2.gz KYTYDOJIMPIWGX-LBPRGKRZSA-N 1 0 347.444 3.133 20 5 EGBDRO CC1(C)CN(CCOc2ccc([N+](=O)[O-])cc2)[C@@H]1c1cccnc1 ZINC000596593073 459689054 /nfs/dbraw/zinc/68/90/54/459689054.db2.gz OVTZKSFOYKGGMJ-QGZVFWFLSA-N 1 0 327.384 3.452 20 5 EGBDRO CC1(C)CN(CCOc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccncc1 ZINC000596594834 459689869 /nfs/dbraw/zinc/68/98/69/459689869.db2.gz WKZDLEFGYSZYIT-QGZVFWFLSA-N 1 0 327.384 3.452 20 5 EGBDRO CCCN(C(=O)c1cc2cc([N+](=O)[O-])ccc2s1)[C@@H]1CC[N@H+](C)C1 ZINC000592832794 459700068 /nfs/dbraw/zinc/70/00/68/459700068.db2.gz WDTPACWJQZHHFM-CQSZACIVSA-N 1 0 347.440 3.366 20 5 EGBDRO C[N@H+](CCCNC(=O)Nc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000501577058 459736900 /nfs/dbraw/zinc/73/69/00/459736900.db2.gz HLERCJMKXACPMV-UHFFFAOYSA-N 1 0 334.420 3.371 20 5 EGBDRO CC[C@@H]1CO[C@@H](CC)C[N@@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000593059631 459760598 /nfs/dbraw/zinc/76/05/98/459760598.db2.gz RLZCNYJDDMEKOX-CABCVRRESA-N 1 0 349.431 3.121 20 5 EGBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000584812931 459806150 /nfs/dbraw/zinc/80/61/50/459806150.db2.gz TZIPGTRCUVGBBP-AWEZNQCLSA-N 1 0 335.448 3.109 20 5 EGBDRO C[C@@]1(NC(=O)c2ccc([N+](=O)[O-])s2)CC[N@H+](Cc2ccccc2)C1 ZINC000593342765 459853425 /nfs/dbraw/zinc/85/34/25/459853425.db2.gz YFBVASJVMZTORX-QGZVFWFLSA-N 1 0 345.424 3.051 20 5 EGBDRO C[C@@H](c1ccccc1)[C@@H](CO)[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000586769579 459868293 /nfs/dbraw/zinc/86/82/93/459868293.db2.gz DEJNFUQKOUEBLD-APPDUMDISA-N 1 0 336.338 3.127 20 5 EGBDRO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)[C@@]12CCCO2 ZINC000546163587 459901108 /nfs/dbraw/zinc/90/11/08/459901108.db2.gz MQPBWYWAHMZDNM-RNJTYBCJSA-N 1 0 334.416 3.280 20 5 EGBDRO C[C@@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccccc1 ZINC000602500300 459970818 /nfs/dbraw/zinc/97/08/18/459970818.db2.gz YNKOHISUICMCKI-HNNXBMFYSA-N 1 0 340.427 3.352 20 5 EGBDRO C[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccccc1 ZINC000602506943 459972491 /nfs/dbraw/zinc/97/24/91/459972491.db2.gz YWKNJCPIYHQKNM-CQSZACIVSA-N 1 0 326.400 3.309 20 5 EGBDRO C[NH+](C)C1(CNCc2nc3cc([N+](=O)[O-])ccc3o2)CCCCC1 ZINC000602507397 459972972 /nfs/dbraw/zinc/97/29/72/459972972.db2.gz IJRHWFQGWPIBKL-UHFFFAOYSA-N 1 0 332.404 3.090 20 5 EGBDRO CC1(C)CC[C@H](CO)[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000598646014 459976315 /nfs/dbraw/zinc/97/63/15/459976315.db2.gz BWPBCUWFPVQNNA-MRXNPFEDSA-N 1 0 345.399 3.233 20 5 EGBDRO C[C@H](Cc1ccsc1)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602518202 459980047 /nfs/dbraw/zinc/98/00/47/459980047.db2.gz LXOOSPBOVIDSSZ-CYBMUJFWSA-N 1 0 346.456 3.241 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H]2CCN(c3ccc(F)cc3)C2)cc1 ZINC000602520448 459980406 /nfs/dbraw/zinc/98/04/06/459980406.db2.gz GEBRKLVRPNCSJT-INIZCTEOSA-N 1 0 343.402 3.393 20 5 EGBDRO CCN(CC[NH3+])C(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000602535981 459986918 /nfs/dbraw/zinc/98/69/18/459986918.db2.gz ULHZVIHCYHDRBT-UHFFFAOYSA-N 1 0 337.445 3.050 20 5 EGBDRO C[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1cccc(O)c1 ZINC000602543317 459991196 /nfs/dbraw/zinc/99/11/96/459991196.db2.gz AOKHSUXBRHAUPT-CYBMUJFWSA-N 1 0 342.399 3.015 20 5 EGBDRO C[N@@H+]1CCC[C@@H](CNCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602548033 459992555 /nfs/dbraw/zinc/99/25/55/459992555.db2.gz LFAHMSMMQUYDOW-NSHDSACASA-N 1 0 331.338 3.045 20 5 EGBDRO CC(C)[C@H]1OCCC[C@H]1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602561750 459996983 /nfs/dbraw/zinc/99/69/83/459996983.db2.gz DYBHJHSDBWEUQX-YVEFUNNKSA-N 1 0 333.388 3.277 20 5 EGBDRO CCOC(=O)c1ccc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)[nH]1 ZINC000602562994 459998653 /nfs/dbraw/zinc/99/86/53/459998653.db2.gz KZLFOAGYWODQFS-GFCCVEGCSA-N 1 0 331.372 3.259 20 5 EGBDRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)c1cc3cc([N+](=O)[O-])ccc3s1)C2 ZINC000593913964 460016212 /nfs/dbraw/zinc/01/62/12/460016212.db2.gz DCQLYKXSDAZRGY-SJCJKPOMSA-N 1 0 345.424 3.011 20 5 EGBDRO CC[NH+](CC)[C@H](CNc1ncnc2ccc([N+](=O)[O-])cc21)CC(C)C ZINC000609849445 460029056 /nfs/dbraw/zinc/02/90/56/460029056.db2.gz FDNDJSRDSOYWGC-HNNXBMFYSA-N 1 0 345.447 3.128 20 5 EGBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1ncc([N+](=O)[O-])cc1Cl ZINC000609892012 460036051 /nfs/dbraw/zinc/03/60/51/460036051.db2.gz AJEHMFWMDGXIBE-GRYCIOLGSA-N 1 0 326.828 3.422 20 5 EGBDRO C[C@H]1CC(CC[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H](C)O1 ZINC000602652833 460044679 /nfs/dbraw/zinc/04/46/79/460044679.db2.gz LEMXMCHJOCFDFQ-RYUDHWBXSA-N 1 0 333.388 3.419 20 5 EGBDRO C[C@@H]1COCC[C@H]1C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602655220 460045115 /nfs/dbraw/zinc/04/51/15/460045115.db2.gz NKGLAIXJUPZDAF-MNOVXSKESA-N 1 0 332.322 3.376 20 5 EGBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]CC3(c4ccccn4)CCC3)nc2c1 ZINC000602657519 460047321 /nfs/dbraw/zinc/04/73/21/460047321.db2.gz ZGQMTFADRBEJSO-UHFFFAOYSA-N 1 0 338.367 3.343 20 5 EGBDRO CCOC(=O)C[C@@](C)([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)C(C)C ZINC000614230604 460059097 /nfs/dbraw/zinc/05/90/97/460059097.db2.gz GMLVDAKUWUYFOF-QGZVFWFLSA-N 1 0 349.387 3.194 20 5 EGBDRO CCC(C)(C)[NH+]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000594021007 460060355 /nfs/dbraw/zinc/06/03/55/460060355.db2.gz PEISKYPJKLSKQE-UHFFFAOYSA-N 1 0 332.404 3.042 20 5 EGBDRO C[C@H](CC(C)(C)O)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602680090 460061088 /nfs/dbraw/zinc/06/10/88/460061088.db2.gz OQFVWPRRDRIRDO-SSDOTTSWSA-N 1 0 337.239 3.058 20 5 EGBDRO CO[C@H]1C[C@H]([N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)C12CCC2 ZINC000602682848 460063450 /nfs/dbraw/zinc/06/34/50/460063450.db2.gz SLGJHZSDNYSCNW-GJZGRUSLSA-N 1 0 331.372 3.125 20 5 EGBDRO CC[C@@H]1OCC[C@H]1[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602686809 460065189 /nfs/dbraw/zinc/06/51/89/460065189.db2.gz FDOLXVDFUMIIEF-ZJUUUORDSA-N 1 0 335.223 3.076 20 5 EGBDRO C[C@@H]1C[C@H](C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)[C@H](C)O1 ZINC000602690779 460067579 /nfs/dbraw/zinc/06/75/79/460067579.db2.gz OLXRWBDXTSIWLW-HRDYMLBCSA-N 1 0 349.250 3.322 20 5 EGBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@H]3[C@H]3CCCOC3)nc2c1 ZINC000602703023 460074261 /nfs/dbraw/zinc/07/42/61/460074261.db2.gz XHHMFHQXXNUAQG-WFASDCNBSA-N 1 0 331.372 3.127 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594109022 460104174 /nfs/dbraw/zinc/10/41/74/460104174.db2.gz MYUSDXWYFRVKKF-NVXWUHKLSA-N 1 0 346.431 3.296 20 5 EGBDRO CCOC(=O)c1[nH]c(C)c(C[NH2+]CCc2ccccc2[N+](=O)[O-])c1C ZINC000598962380 460105322 /nfs/dbraw/zinc/10/53/22/460105322.db2.gz WAYUUHCKPXJVPG-UHFFFAOYSA-N 1 0 345.399 3.049 20 5 EGBDRO C[N@@H+]1CCCC[C@H](CNCc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000598994796 460120057 /nfs/dbraw/zinc/12/00/57/460120057.db2.gz SBHDWELMCVPCGV-GFCCVEGCSA-N 1 0 343.374 3.018 20 5 EGBDRO CCc1nc(C)c([C@@H](C)[N@H+](C)CCn2c(C)ncc2[N+](=O)[O-])s1 ZINC000602778148 460120841 /nfs/dbraw/zinc/12/08/41/460120841.db2.gz CAWHHKISHTXHQB-LLVKDONJSA-N 1 0 337.449 3.120 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@@H](c2ccc(F)cc2)C[C@@H]1C ZINC000602783501 460122407 /nfs/dbraw/zinc/12/24/07/460122407.db2.gz ZWBUJVTYUJPGHC-WFASDCNBSA-N 1 0 332.379 3.117 20 5 EGBDRO COc1ccc2c(c1)C[C@@H](C)[N@@H+](CCn1c(C)ncc1[N+](=O)[O-])[C@@H]2C ZINC000602807950 460138975 /nfs/dbraw/zinc/13/89/75/460138975.db2.gz XIZPHOUZDHDSGQ-CHWSQXEVSA-N 1 0 344.415 3.116 20 5 EGBDRO CC[C@H]([NH2+]C[C@H]1CCCN1CC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000599066119 460148901 /nfs/dbraw/zinc/14/89/01/460148901.db2.gz QOCJKMGKERWEGG-CABCVRRESA-N 1 0 327.375 3.365 20 5 EGBDRO CC[C@H]([NH2+]C[C@@H]1CCCN1CC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000599066120 460148907 /nfs/dbraw/zinc/14/89/07/460148907.db2.gz QOCJKMGKERWEGG-GJZGRUSLSA-N 1 0 327.375 3.365 20 5 EGBDRO CCOc1ccc([C@H](C)NC[C@H]2CCCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000599070624 460150012 /nfs/dbraw/zinc/15/00/12/460150012.db2.gz MBEIKPSISYKULF-LSDHHAIUSA-N 1 0 335.448 3.376 20 5 EGBDRO O=c1[nH]cccc1C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000599083839 460154691 /nfs/dbraw/zinc/15/46/91/460154691.db2.gz MZFZKSWHQVXNJR-CZUORRHYSA-N 1 0 327.384 3.196 20 5 EGBDRO C[N@@H+]1CCCC[C@@H](CNc2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000599142604 460173958 /nfs/dbraw/zinc/17/39/58/460173958.db2.gz YBLNYDFRWBFANC-JTQLQIEISA-N 1 0 332.326 3.152 20 5 EGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@]2(C1)C(=O)Nc1ccccc12 ZINC000614584906 460177077 /nfs/dbraw/zinc/17/70/77/460177077.db2.gz CTYKNNNKHADZEV-DJJJIMSYSA-N 1 0 337.379 3.252 20 5 EGBDRO Cc1cc(C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)cc([N+](=O)[O-])c1 ZINC000598217780 460208416 /nfs/dbraw/zinc/20/84/16/460208416.db2.gz BMPDRTWGPVFSCM-HNNXBMFYSA-N 1 0 331.416 3.040 20 5 EGBDRO COC1CCN(CC[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000618984864 460241724 /nfs/dbraw/zinc/24/17/24/460241724.db2.gz BINHIKBDWMDFAX-SFHVURJKSA-N 1 0 347.459 3.018 20 5 EGBDRO CC1(C)C[C@H]([NH2+]CCOC[C@H]2CCCO2)c2cc([N+](=O)[O-])ccc21 ZINC000618984289 460242619 /nfs/dbraw/zinc/24/26/19/460242619.db2.gz VVKDFIMTBWDMMV-PBHICJAKSA-N 1 0 334.416 3.102 20 5 EGBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])[C@H]1CCN(C2CCCCC2)C1=O ZINC000599413000 460247891 /nfs/dbraw/zinc/24/78/91/460247891.db2.gz RBERYOBVVQXDJC-SFHVURJKSA-N 1 0 345.443 3.003 20 5 EGBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)[C@@H]1CCN(C2CCCCC2)C1=O ZINC000599403585 460248410 /nfs/dbraw/zinc/24/84/10/460248410.db2.gz DARATUYJPRHGEZ-GOSISDBHSA-N 1 0 345.443 3.003 20 5 EGBDRO C[C@@H]1CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@H]2CCCC[C@H]12 ZINC000603632973 460329706 /nfs/dbraw/zinc/32/97/06/460329706.db2.gz XBJRJSZLOGDGJJ-HYEGPXJVSA-N 1 0 348.443 3.235 20 5 EGBDRO C[C@@H]([NH2+]CCNc1ccc2ccccc2n1)c1ccc([N+](=O)[O-])cc1 ZINC000611336607 460339456 /nfs/dbraw/zinc/33/94/56/460339456.db2.gz UDLFXVKMDGSSCY-CQSZACIVSA-N 1 0 336.395 3.328 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[NH2+]C2(c3ccc4c(c3)OCO4)CC2)cc1 ZINC000611406994 460356759 /nfs/dbraw/zinc/35/67/59/460356759.db2.gz PAWJJYMKDPONDB-UHFFFAOYSA-N 1 0 326.352 3.145 20 5 EGBDRO CC(C)(C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccccc1 ZINC000611410593 460358211 /nfs/dbraw/zinc/35/82/11/460358211.db2.gz NTNBTGKMIGZSMK-UHFFFAOYSA-N 1 0 340.427 3.090 20 5 EGBDRO CCCC(=O)NC1CC[NH+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000615836090 460404164 /nfs/dbraw/zinc/40/41/64/460404164.db2.gz PSQQEXNIKXBNSS-NTCAYCPXSA-N 1 0 345.443 3.379 20 5 EGBDRO Cc1ccc(C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C2CC2)o1 ZINC000619716394 460420572 /nfs/dbraw/zinc/42/05/72/460420572.db2.gz PDRUDRZIVSXMRO-UHFFFAOYSA-N 1 0 343.383 3.489 20 5 EGBDRO CN(c1ccccc1)c1ccc(C[NH2+]C[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000604419102 460425218 /nfs/dbraw/zinc/42/52/18/460425218.db2.gz HLCOWDYFDCKAQK-INIZCTEOSA-N 1 0 341.411 3.489 20 5 EGBDRO CCN(CCC[NH+](CC)CC)c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000615945777 460432774 /nfs/dbraw/zinc/43/27/74/460432774.db2.gz CUVXHWKNGIHEHO-UHFFFAOYSA-N 1 0 331.420 3.096 20 5 EGBDRO Cc1ccc(CC[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)o1 ZINC000604532542 460442515 /nfs/dbraw/zinc/44/25/15/460442515.db2.gz ZEDKLTDRPQBOAN-UHFFFAOYSA-N 1 0 326.299 3.430 20 5 EGBDRO O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000601549864 460829582 /nfs/dbraw/zinc/82/95/82/460829582.db2.gz WODCDXDSIKBXQX-AWEZNQCLSA-N 1 0 349.406 3.261 20 5 EGBDRO COc1cc(C[NH2+]CC2CC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000131333100 533872595 /nfs/dbraw/zinc/87/25/95/533872595.db2.gz MWCMYUJFSPDXOO-UHFFFAOYSA-N 1 0 334.294 3.044 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]Cc1cccc(CO)c1)C1CC1 ZINC000177839005 534887733 /nfs/dbraw/zinc/88/77/33/534887733.db2.gz WVDSAPSSIGDDLQ-SFHVURJKSA-N 1 0 326.396 3.198 20 5 EGBDRO CC(=O)Nc1ccc(CC[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000178654010 526968553 /nfs/dbraw/zinc/96/85/53/526968553.db2.gz JPYLELPEYQNYDM-ZDUSSCGKSA-N 1 0 327.384 3.447 20 5 EGBDRO CCCn1ccnc1CCC[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000191473355 528861763 /nfs/dbraw/zinc/86/17/63/528861763.db2.gz SLWCDRKGZBPICP-UHFFFAOYSA-N 1 0 330.432 3.308 20 5 EGBDRO CC[NH+]1CCC(CCNC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)CC1 ZINC000191332287 528964994 /nfs/dbraw/zinc/96/49/94/528964994.db2.gz WYJHWWKAWWOZKE-UHFFFAOYSA-N 1 0 348.447 3.455 20 5 EGBDRO CC[C@](C)([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1nc(C)cs1 ZINC000154599467 529370935 /nfs/dbraw/zinc/37/09/35/529370935.db2.gz ZGKRCSZWEINCLN-ZBFHGGJFSA-N 1 0 335.429 3.308 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC000246568357 535022307 /nfs/dbraw/zinc/02/23/07/535022307.db2.gz HNEICGVPSIIMJE-YOEHRIQHSA-N 1 0 334.416 3.383 20 5 EGBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccc([S@](C)=O)cc1 ZINC000090910170 546659794 /nfs/dbraw/zinc/65/97/94/546659794.db2.gz JATGUGJZBJHPQD-JCQPUDPBSA-N 1 0 332.425 3.226 20 5 EGBDRO CN1CC[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000729682586 574878736 /nfs/dbraw/zinc/87/87/36/574878736.db2.gz WBVXQPUHPVXXLX-NSHDSACASA-N 1 0 335.791 3.302 20 5 EGBDRO C[C@H](CNc1nc2ccccn2c1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000732049324 575233798 /nfs/dbraw/zinc/23/37/98/575233798.db2.gz LOJSKTDPZHIINT-CQSZACIVSA-N 1 0 339.399 3.175 20 5 EGBDRO CC[N@H+](C[C@H]1CCOC1)Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000738079301 576285531 /nfs/dbraw/zinc/28/55/31/576285531.db2.gz BMPXYQAVTHJCJJ-LLVKDONJSA-N 1 0 337.401 3.188 20 5 EGBDRO CC[N@@H+]1CC[C@H](N(C)C(=S)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000740631656 576609238 /nfs/dbraw/zinc/60/92/38/576609238.db2.gz FDFCDRMQBLXFIB-WFASDCNBSA-N 1 0 336.461 3.096 20 5 EGBDRO CC(C)[NH2+][C@H]1CCCN(c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000742399123 576779424 /nfs/dbraw/zinc/77/94/24/576779424.db2.gz APSSKEZFSUEYSU-NSHDSACASA-N 1 0 342.237 3.324 20 5 EGBDRO Cc1c(C[NH2+]C[C@](C)(O)c2ccc(F)cc2F)cccc1[N+](=O)[O-] ZINC000873049585 1297247167 /nfs/dbraw/zinc/24/71/67/1297247167.db2.gz CLGLPFNJMZXEQZ-KRWDZBQOSA-N 1 0 336.338 3.179 20 5 EGBDRO COc1cc(CC[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)ccc1O ZINC000873050859 1297247185 /nfs/dbraw/zinc/24/71/85/1297247185.db2.gz VFBCDHLHKXEVDM-UHFFFAOYSA-N 1 0 330.384 3.258 20 5 EGBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@@H+]1CCC[C@H]1C1CCCC1 ZINC000055034894 1291773187 /nfs/dbraw/zinc/77/31/87/1291773187.db2.gz RECPJHPYNUHXJF-AWEZNQCLSA-N 1 0 331.372 3.115 20 5 EGBDRO CC[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)C[C@H](O)c1ccc(C)cc1 ZINC000076016557 1292417121 /nfs/dbraw/zinc/41/71/21/1292417121.db2.gz SNAUMRGHIWOJRB-SFHVURJKSA-N 1 0 344.411 3.467 20 5 EGBDRO CCC[C@H]1CC(=O)N(CN(Cc2ccc([N+](=O)[O-])cc2)C(C)C)C1 ZINC000173320397 1294459434 /nfs/dbraw/zinc/45/94/34/1294459434.db2.gz NBBLYMYOJKDFKK-INIZCTEOSA-N 1 0 333.432 3.411 20 5 EGBDRO C[NH+](C)Cc1ccccc1CNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000175056670 1294537596 /nfs/dbraw/zinc/53/75/96/1294537596.db2.gz LNAYDOOKIADYHO-UHFFFAOYSA-N 1 0 347.802 3.240 20 5 EGBDRO CC(C)(C)OC(=O)N1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000193343092 1295854956 /nfs/dbraw/zinc/85/49/56/1295854956.db2.gz KRAMJBDOUQIHRB-UHFFFAOYSA-N 1 0 349.431 3.080 20 5 EGBDRO Cc1cc(C(=O)NC[C@H]([NH3+])c2ccc(C(C)C)cc2)cc([N+](=O)[O-])c1 ZINC000236729804 1296198704 /nfs/dbraw/zinc/19/87/04/1296198704.db2.gz GWGKBWYMRXRKHH-SFHVURJKSA-N 1 0 341.411 3.456 20 5 EGBDRO CC[C@H](NC(=O)C[C@@H](C)C1CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000237006113 1296215211 /nfs/dbraw/zinc/21/52/11/1296215211.db2.gz PZRMMSARZTWCGE-DYVFJYSZSA-N 1 0 333.432 3.188 20 5 EGBDRO C[C@H](CNC(=O)OC(C)(C)C)[N@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255141150 1296503295 /nfs/dbraw/zinc/50/32/95/1296503295.db2.gz UYTQJXOFCUXXSX-QQBNSCQMSA-N 1 0 349.431 3.453 20 5 EGBDRO C[C@H](c1nc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)no1)c1cccc([N+](=O)[O-])c1 ZINC000871798000 1296539678 /nfs/dbraw/zinc/53/96/78/1296539678.db2.gz MOBHXUZRNORKAG-HLVVYCRESA-N 1 0 328.372 3.128 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1-c1nc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)no1 ZINC000871800559 1296540818 /nfs/dbraw/zinc/54/08/18/1296540818.db2.gz NZZMZICLHVBJAB-YHWZYXNKSA-N 1 0 328.372 3.260 20 5 EGBDRO COC1(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2SC)CCOCC1 ZINC000872051685 1296702787 /nfs/dbraw/zinc/70/27/87/1296702787.db2.gz KFNVJFPAQBKFDR-GFCCVEGCSA-N 1 0 340.445 3.163 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCn2ccnc2C1 ZINC000872063691 1296711010 /nfs/dbraw/zinc/71/10/10/1296711010.db2.gz RZPKKRCBVVZUGK-NWDGAFQWSA-N 1 0 332.429 3.179 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CCN(CC(F)F)C1 ZINC000872079564 1296722491 /nfs/dbraw/zinc/72/24/91/1296722491.db2.gz IZOLUWZYHHVPFP-MNOVXSKESA-N 1 0 345.415 3.307 20 5 EGBDRO CC[C@H](C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)NC(=O)OC(C)(C)C ZINC000310057045 1297087735 /nfs/dbraw/zinc/08/77/35/1297087735.db2.gz ONWVYYYVMDHELP-CQSZACIVSA-N 1 0 337.420 3.296 20 5 EGBDRO Cc1c(C[NH2+]C[C@]2(CO)C[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000873127753 1297284239 /nfs/dbraw/zinc/28/42/39/1297284239.db2.gz VCARMPJRNBCQHA-HKUYNNGSSA-N 1 0 326.396 3.159 20 5 EGBDRO Cc1c(C[NH2+]C[C@]2(CO)C[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000873127756 1297286037 /nfs/dbraw/zinc/28/60/37/1297286037.db2.gz VCARMPJRNBCQHA-MJGOQNOKSA-N 1 0 326.396 3.159 20 5 EGBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2c1ccc(Br)cc1[N+](=O)[O-] ZINC000718920380 1298311217 /nfs/dbraw/zinc/31/12/17/1298311217.db2.gz XBOWQYUGTVHMDD-NWDGAFQWSA-N 1 0 340.221 3.030 20 5 EGBDRO CC[C@@H]1C[C@H](C)C[N@@H+]1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000745990260 1298509078 /nfs/dbraw/zinc/50/90/78/1298509078.db2.gz ADPHGEPGJWVGML-CMPLNLGQSA-N 1 0 325.796 3.307 20 5 EGBDRO C[C@@H]([NH2+]C[C@@]1(O)CCCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000746046581 1298516378 /nfs/dbraw/zinc/51/63/78/1298516378.db2.gz AIMOPQCSURYJBA-KUHUBIRLSA-N 1 0 326.396 3.470 20 5 EGBDRO O=[N+]([O-])c1cnn(C[N@H+](CCc2ccccc2F)C2CCCC2)c1 ZINC000746066633 1298521603 /nfs/dbraw/zinc/52/16/03/1298521603.db2.gz ZLNWRLDVGOJPHF-UHFFFAOYSA-N 1 0 332.379 3.375 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000876807791 1299002775 /nfs/dbraw/zinc/00/27/75/1299002775.db2.gz KIBHQWPRZGGIHP-KBXCAEBGSA-N 1 0 328.416 3.491 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000876860171 1299037673 /nfs/dbraw/zinc/03/76/73/1299037673.db2.gz UPJUAXUGNQWDBU-HOTGVXAUSA-N 1 0 345.443 3.063 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)[NH2+]C2CCC(=C3CCC3)CC2)cc1 ZINC000877036578 1299125219 /nfs/dbraw/zinc/12/52/19/1299125219.db2.gz GNYZJTPWTTWKAV-RTBURBONSA-N 1 0 346.427 3.002 20 5 EGBDRO O=[N+]([O-])c1sc(C[NH2+]CCCCCCO)cc1Br ZINC000877136857 1299176065 /nfs/dbraw/zinc/17/60/65/1299176065.db2.gz AIKOXNUMLBAERV-UHFFFAOYSA-N 1 0 337.239 3.061 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]Cc2ccc(C(F)(F)F)cc2)c1 ZINC000749661708 1299252699 /nfs/dbraw/zinc/25/26/99/1299252699.db2.gz HSDVKTVYNHLVDL-HNNXBMFYSA-N 1 0 340.301 3.437 20 5 EGBDRO CCS[C@H]1CC[C@@H]([N@H+](C)Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1 ZINC000749962534 1299314831 /nfs/dbraw/zinc/31/48/31/1299314831.db2.gz XNJIUENSTLUARV-OCCSQVGLSA-N 1 0 349.460 3.211 20 5 EGBDRO O=[N+]([O-])c1c(NC2CCC([NH+]3CCCCC3)CC2)nc2ccccn21 ZINC000751110755 1299510305 /nfs/dbraw/zinc/51/03/05/1299510305.db2.gz JPIIXHYTGUNLEY-UHFFFAOYSA-N 1 0 343.431 3.452 20 5 EGBDRO Cc1ccc([C@H](CNC(=O)c2cc(F)ccc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000751380494 1299544559 /nfs/dbraw/zinc/54/45/59/1299544559.db2.gz BWOOHEINUAIMER-KRWDZBQOSA-N 1 0 345.374 3.075 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1[C@H]1NC(=[NH2+])Nc2nc3ccccc3n21 ZINC000877843346 1299606300 /nfs/dbraw/zinc/60/63/00/1299606300.db2.gz PSTXHRXVRGIPCX-HNNXBMFYSA-N 1 0 336.355 3.058 20 5 EGBDRO Cc1cc(F)cc(C(=O)N2CCC([NH+]3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000753448795 1299936486 /nfs/dbraw/zinc/93/64/86/1299936486.db2.gz GEZFLIVXXVCSRO-UHFFFAOYSA-N 1 0 349.406 3.133 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])s1 ZINC000754679002 1300188590 /nfs/dbraw/zinc/18/85/90/1300188590.db2.gz OEGPYKZETVMHIC-QWHCGFSZSA-N 1 0 336.413 3.055 20 5 EGBDRO CC1(C)OCC([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CO1 ZINC000758012101 1300771837 /nfs/dbraw/zinc/77/18/37/1300771837.db2.gz LTKSHKMZDYOZLM-UHFFFAOYSA-N 1 0 332.356 3.096 20 5 EGBDRO C[C@H]1CC[N@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)CC1(C)C ZINC000758999894 1300995242 /nfs/dbraw/zinc/99/52/42/1300995242.db2.gz MKJAHFUMAWJYOS-ZDUSSCGKSA-N 1 0 329.404 3.179 20 5 EGBDRO O=[N+]([O-])c1c(F)nccc1NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000881915874 1301755699 /nfs/dbraw/zinc/75/56/99/1301755699.db2.gz FBEXTQFFSFKEHV-HNNXBMFYSA-N 1 0 344.390 3.105 20 5 EGBDRO CCCC[N@H+](C)CCNc1cc(Cl)c(C(=O)OC)cc1[N+](=O)[O-] ZINC000765501986 1302274140 /nfs/dbraw/zinc/27/41/40/1302274140.db2.gz GPKQLQXYXCLGMR-UHFFFAOYSA-N 1 0 343.811 3.179 20 5 EGBDRO C[C@H]([NH2+]Cc1cccnc1[N+](=O)[O-])c1cccc(N2CCCC2)c1 ZINC000886112266 1303359649 /nfs/dbraw/zinc/35/96/49/1303359649.db2.gz TUCLCCCONKCPMZ-AWEZNQCLSA-N 1 0 326.400 3.441 20 5 EGBDRO CC[C@@H]1CC[C@@H](C)[N@@H+]1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000772358003 1303523686 /nfs/dbraw/zinc/52/36/86/1303523686.db2.gz VKCZFKAAIFLQDE-ZYHUDNBSSA-N 1 0 325.796 3.450 20 5 EGBDRO CCOC(=O)[C@]1(C(C)C)CC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000773918951 1303753794 /nfs/dbraw/zinc/75/37/94/1303753794.db2.gz DADABPOOGJSLRM-QGZVFWFLSA-N 1 0 338.379 3.145 20 5 EGBDRO COC(=O)[C@@H]1CCCC[C@]1(C)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000775992779 1304075596 /nfs/dbraw/zinc/07/55/96/1304075596.db2.gz LKQHIRVJQQIORO-BBRMVZONSA-N 1 0 340.807 3.460 20 5 EGBDRO CC(C)OCc1ccccc1C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776275936 1304126313 /nfs/dbraw/zinc/12/63/13/1304126313.db2.gz IRJDGHBVDDJLRY-IBGZPJMESA-N 1 0 344.411 3.343 20 5 EGBDRO C[C@@H]1c2ccc(F)cc2CC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776583374 1304174952 /nfs/dbraw/zinc/17/49/52/1304174952.db2.gz FAKWYINTAYRMQA-KZULUSFZSA-N 1 0 330.359 3.387 20 5 EGBDRO CC(C)COc1cccc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000777446243 1304297326 /nfs/dbraw/zinc/29/73/26/1304297326.db2.gz YZIQYNOQBWONDD-LJQANCHMSA-N 1 0 344.411 3.453 20 5 EGBDRO O=[N+]([O-])c1cccc(N2CC[NH+](Cc3ccc(CF)cc3)CC2)c1 ZINC000777554173 1304317341 /nfs/dbraw/zinc/31/73/41/1304317341.db2.gz CCIIOCTYWIQELE-UHFFFAOYSA-N 1 0 329.375 3.387 20 5 EGBDRO CCC1([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCOCC1 ZINC000777709396 1304337241 /nfs/dbraw/zinc/33/72/41/1304337241.db2.gz SNOIBPXTFYZMTP-UHFFFAOYSA-N 1 0 333.432 3.112 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CC[C@@H](COc3ccccc3)C2)cc1 ZINC000780370643 1304682364 /nfs/dbraw/zinc/68/23/64/1304682364.db2.gz NUXNBTWKSBFTJR-BEFAXECRSA-N 1 0 342.395 3.029 20 5 EGBDRO O=C(CC[NH+]1C2CCCC1CCC2)Nc1cc([N+](=O)[O-])ccc1F ZINC000782499743 1304982996 /nfs/dbraw/zinc/98/29/96/1304982996.db2.gz PQXQGITWGYUTBG-UHFFFAOYSA-N 1 0 335.379 3.470 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2COC3(CCCC3)O2)cc1Cl ZINC000783653082 1305123378 /nfs/dbraw/zinc/12/33/78/1305123378.db2.gz WDNHELCPDPPCAB-LBPRGKRZSA-N 1 0 326.780 3.024 20 5 EGBDRO COc1c(O)ccc(C[N@@H+]2CC[C@H](c3cccc(F)c3)C2)c1[N+](=O)[O-] ZINC000891942120 1305216603 /nfs/dbraw/zinc/21/66/03/1305216603.db2.gz CYYLTOPIUHVDLR-ZDUSSCGKSA-N 1 0 346.358 3.438 20 5 EGBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000892113660 1305253124 /nfs/dbraw/zinc/25/31/24/1305253124.db2.gz ZYWREDYDWCSHOH-LSDHHAIUSA-N 1 0 348.447 3.029 20 5 EGBDRO C[C@@H](C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)NC(=O)OC(C)(C)C ZINC000785479018 1305360199 /nfs/dbraw/zinc/36/01/99/1305360199.db2.gz SRTBVTUSZVJNKE-ZDUSSCGKSA-N 1 0 349.431 3.472 20 5 EGBDRO COc1c(O)ccc(C[NH2+][C@@H]2CCc3cc(F)ccc32)c1[N+](=O)[O-] ZINC000892680631 1305504954 /nfs/dbraw/zinc/50/49/54/1305504954.db2.gz QAKCHXQUAXZCCW-CQSZACIVSA-N 1 0 332.331 3.225 20 5 EGBDRO CC(C)[N@@H+]1CCC[C@H](CNCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000892944339 1305619363 /nfs/dbraw/zinc/61/93/63/1305619363.db2.gz OZBQHFILUUQUSG-CYBMUJFWSA-N 1 0 325.840 3.458 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1COC2(CCCC2)O1 ZINC000786820955 1305634974 /nfs/dbraw/zinc/63/49/74/1305634974.db2.gz MZHOESQMNOYNGW-RKCSUWQLSA-N 1 0 332.400 3.273 20 5 EGBDRO CC1(C)C[C@H]([NH2+]CCCNc2ncccn2)c2cc([N+](=O)[O-])ccc21 ZINC000788585332 1305976225 /nfs/dbraw/zinc/97/62/25/1305976225.db2.gz QHFSNROKVJWKGO-INIZCTEOSA-N 1 0 341.415 3.199 20 5 EGBDRO COc1ccc(O[C@@H](C)C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000788609745 1305981874 /nfs/dbraw/zinc/98/18/74/1305981874.db2.gz IFHXUABWSACVSN-STQMWFEESA-N 1 0 345.399 3.304 20 5 EGBDRO C[C@H]([NH2+]Cc1ccc(-n2ccnc2)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788638446 1305988630 /nfs/dbraw/zinc/98/86/30/1305988630.db2.gz GWIXQZFBPPCTAF-ZDUSSCGKSA-N 1 0 337.383 3.214 20 5 EGBDRO C[C@@H]([NH2+]CCOc1ccc(F)c(F)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788642474 1305989315 /nfs/dbraw/zinc/98/93/15/1305989315.db2.gz ZQFSNFNYDRTFNI-SNVBAGLBSA-N 1 0 337.326 3.185 20 5 EGBDRO COCC[N@H+](Cn1ncc2ccc([N+](=O)[O-])cc21)[C@H]1CC[C@H](C)C1 ZINC000790475795 1306332528 /nfs/dbraw/zinc/33/25/28/1306332528.db2.gz BTCFLJZQPWHCAQ-ZFWWWQNUSA-N 1 0 332.404 3.039 20 5 EGBDRO COCC[N@H+](Cn1nc(C)c2cc([N+](=O)[O-])ccc21)[C@@H]1CC[C@@H](C)C1 ZINC000790481626 1306335854 /nfs/dbraw/zinc/33/58/54/1306335854.db2.gz XLNRPEQQIPTITI-UKRRQHHQSA-N 1 0 346.431 3.347 20 5 EGBDRO CC(C)(CNCc1cc(Cl)ccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000791011352 1308910593 /nfs/dbraw/zinc/91/05/93/1308910593.db2.gz PYVLESRXPJYIIQ-UHFFFAOYSA-N 1 0 325.840 3.460 20 5 EGBDRO COC1(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCCCC1 ZINC000792156383 1309131595 /nfs/dbraw/zinc/13/15/95/1309131595.db2.gz BVLBHXCQEDOWJW-UHFFFAOYSA-N 1 0 333.432 3.066 20 5 EGBDRO COc1ccc(-c2ccc(C[NH2+]C[C@@H]3CC(C)=NO3)o2)c([N+](=O)[O-])c1 ZINC000895311720 1309280395 /nfs/dbraw/zinc/28/03/95/1309280395.db2.gz QOEGRWGGEWPRHY-AWEZNQCLSA-N 1 0 345.355 3.118 20 5 EGBDRO Cc1ccc(C2=NO[C@H](C[NH2+]Cc3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000895495220 1309369055 /nfs/dbraw/zinc/36/90/55/1309369055.db2.gz OUWQZDXRIRXVAV-KRWDZBQOSA-N 1 0 325.368 3.186 20 5 EGBDRO CSC[C@@H]1CCC[N@H+](Cn2nc(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000793794952 1309442155 /nfs/dbraw/zinc/44/21/55/1309442155.db2.gz ZQQQETWTDAWSQL-CYBMUJFWSA-N 1 0 334.445 3.285 20 5 EGBDRO C[N@H+](Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1)[C@@H]1CCC(C)(C)C1 ZINC000794682281 1309573041 /nfs/dbraw/zinc/57/30/41/1309573041.db2.gz HEZLYURNGZJKCL-CQSZACIVSA-N 1 0 329.404 3.321 20 5 EGBDRO CC(C)([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1[N+](=O)[O-] ZINC000795223717 1309700953 /nfs/dbraw/zinc/70/09/53/1309700953.db2.gz XAHYKXIYDZJAPU-MRXNPFEDSA-N 1 0 345.355 3.061 20 5 EGBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H](O)c1ccc(Cl)cc1 ZINC000796113450 1309910324 /nfs/dbraw/zinc/91/03/24/1309910324.db2.gz LQSGORSPKIBGIO-QGZVFWFLSA-N 1 0 334.803 3.456 20 5 EGBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H](O)c1cccc(Cl)c1 ZINC000796111412 1309910472 /nfs/dbraw/zinc/91/04/72/1309910472.db2.gz FBUGJUWSASCAMX-QGZVFWFLSA-N 1 0 334.803 3.456 20 5 EGBDRO CO[C@@H]1CCOC[C@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000897891741 1310507118 /nfs/dbraw/zinc/50/71/18/1310507118.db2.gz OAPPXPXEXQKRHE-HZPDHXFCSA-N 1 0 348.424 3.217 20 5 EGBDRO O=[N+]([O-])c1ccc(C[N@H+]2C[C@H]3CN(c4ccccc4)C[C@H]3C2)cc1F ZINC000801512623 1310950183 /nfs/dbraw/zinc/95/01/83/1310950183.db2.gz KVLVQJHDPWLMHB-IYBDPMFKSA-N 1 0 341.386 3.302 20 5 EGBDRO CC(C)[NH+](CCNc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1)C(C)C ZINC000916975514 1319730213 /nfs/dbraw/zinc/73/02/13/1319730213.db2.gz GZSZAXJRKCVXAF-UHFFFAOYSA-N 1 0 348.447 3.018 20 5 EGBDRO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)Cc1occc1C ZINC000839663179 1320954905 /nfs/dbraw/zinc/95/49/05/1320954905.db2.gz NSIKQZUWMHTSTO-UHFFFAOYSA-N 1 0 349.362 3.486 20 5 EGBDRO Cc1c(NC(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)cccc1[N+](=O)[O-] ZINC000929223245 1328541336 /nfs/dbraw/zinc/54/13/36/1328541336.db2.gz SITUTCANNXCXQT-HNNXBMFYSA-N 1 0 346.431 3.099 20 5 EGBDRO CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1Br)C[C@H]1CCOC1 ZINC000929287938 1328557945 /nfs/dbraw/zinc/55/79/45/1328557945.db2.gz QOESZPQEOKOYGV-LLVKDONJSA-N 1 0 343.221 3.216 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1COC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000803495683 1317131773 /nfs/dbraw/zinc/13/17/73/1317131773.db2.gz RVFUZXSRRKWZJQ-MRXNPFEDSA-N 1 0 338.404 3.011 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H]2C[C@@H]2c2nc(C3C[C@H]4CC[C@@H](C3)[NH2+]4)no2)c1 ZINC000900016933 1317218203 /nfs/dbraw/zinc/21/82/03/1317218203.db2.gz TZLKUMLXUDCXOA-LEXRCEIVSA-N 1 0 340.383 3.247 20 5 EGBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])C1 ZINC000804357295 1317223204 /nfs/dbraw/zinc/22/32/04/1317223204.db2.gz CQMUOZZNHSOVHF-MJBXVCDLSA-N 1 0 348.403 3.345 20 5 EGBDRO Nc1ccc(NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000804460648 1317239468 /nfs/dbraw/zinc/23/94/68/1317239468.db2.gz SNCMBSAIGJUDFW-INIZCTEOSA-N 1 0 326.400 3.254 20 5 EGBDRO C[N@H+](Cc1ccccc1)[C@H](CNc1ccc(N)cc1[N+](=O)[O-])C1CC1 ZINC000804623791 1317267212 /nfs/dbraw/zinc/26/72/12/1317267212.db2.gz VNSNIOCWXUTLMJ-LJQANCHMSA-N 1 0 340.427 3.500 20 5 EGBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1Nc1ccc(N)cc1[N+](=O)[O-] ZINC000804616247 1317267578 /nfs/dbraw/zinc/26/75/78/1317267578.db2.gz LZDQFSYHWMJFJL-CXAGYDPISA-N 1 0 326.400 3.109 20 5 EGBDRO [NH3+]C[C@]12CC[C@H]1CCN2c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000900453127 1317290639 /nfs/dbraw/zinc/29/06/39/1317290639.db2.gz XNXWFARZGBFPKR-SCLBCKFNSA-N 1 0 342.374 3.114 20 5 EGBDRO CC[C@](C)([NH3+])c1cc(-c2ccc(N3CCCC3)c([N+](=O)[O-])c2)no1 ZINC000901398314 1317419301 /nfs/dbraw/zinc/41/93/01/1317419301.db2.gz OGVFWNALIZEHAA-KRWDZBQOSA-N 1 0 330.388 3.434 20 5 EGBDRO O=[N+]([O-])c1cc(-c2cc(C3CC[NH2+]CC3)on2)ccc1N1CCCC1 ZINC000901398508 1317419312 /nfs/dbraw/zinc/41/93/12/1317419312.db2.gz SNXFVTKFLNZRNO-UHFFFAOYSA-N 1 0 342.399 3.317 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3CCCC3(F)F)CC2)cc1 ZINC000806179554 1317469858 /nfs/dbraw/zinc/46/98/58/1317469858.db2.gz DRRLEWBMBHGWQV-HNNXBMFYSA-N 1 0 325.359 3.341 20 5 EGBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)C1CCCCCC1 ZINC001020022077 1317504444 /nfs/dbraw/zinc/50/44/44/1317504444.db2.gz QJOSAECSAXBCHF-QAQDUYKDSA-N 1 0 345.443 3.302 20 5 EGBDRO CSCC1CC[NH+](Cn2nc(C)c3cc([N+](=O)[O-])ccc32)CC1 ZINC000902392507 1317572604 /nfs/dbraw/zinc/57/26/04/1317572604.db2.gz ILZSXQFDPKHYBZ-UHFFFAOYSA-N 1 0 334.445 3.285 20 5 EGBDRO CC(=O)N(C)c1ccc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000858249187 1328722118 /nfs/dbraw/zinc/72/21/18/1328722118.db2.gz PNVIFHOSHDCEHD-UHFFFAOYSA-N 1 0 327.384 3.176 20 5 EGBDRO COC(=O)C[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C1CC1 ZINC000809975662 1317928984 /nfs/dbraw/zinc/92/89/84/1317928984.db2.gz RCOWDIMFDMZUEK-LBPRGKRZSA-N 1 0 347.198 3.333 20 5 EGBDRO C[C@@H]1CCC[N@@H+]1CCNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811486734 1318183044 /nfs/dbraw/zinc/18/30/44/1318183044.db2.gz MPZQVZAQHGWLOP-SNVBAGLBSA-N 1 0 332.231 3.476 20 5 EGBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]CCNc1ccccn1 ZINC000811487027 1318183914 /nfs/dbraw/zinc/18/39/14/1318183914.db2.gz RDQYTCLJMVFFSV-UHFFFAOYSA-N 1 0 341.198 3.498 20 5 EGBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+][C@H]1CCn2ccnc2C1 ZINC000811492234 1318184545 /nfs/dbraw/zinc/18/45/45/1318184545.db2.gz YTESBRFGVPNPEW-NSHDSACASA-N 1 0 341.198 3.203 20 5 EGBDRO C[C@H]1C[C@H](NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC[N@@H+]1C ZINC000813462295 1318569546 /nfs/dbraw/zinc/56/95/46/1318569546.db2.gz WUMLNYSDMGQOMH-WCBMZHEXSA-N 1 0 346.214 3.114 20 5 EGBDRO Cc1ccc(C(=O)N2CCCC[C@@H]2[C@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000912816046 1318941492 /nfs/dbraw/zinc/94/14/92/1318941492.db2.gz TXTJGSAHYMKMJL-GDBMZVCRSA-N 1 0 333.432 3.096 20 5 EGBDRO COc1ccc([C@H]([NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)C2CC2)cn1 ZINC000858604944 1328807530 /nfs/dbraw/zinc/80/75/30/1328807530.db2.gz QMDJMGHVWPLSKY-BBATYDOGSA-N 1 0 342.399 3.383 20 5 EGBDRO C[C@@H](NC(=O)NCCC[NH+]1CCC(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000913936846 1319183784 /nfs/dbraw/zinc/18/37/84/1319183784.db2.gz ACWRVWPYDFUIDK-OAHLLOKOSA-N 1 0 348.447 3.077 20 5 EGBDRO O=C(NCC[NH+]1CCCCCC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000915307559 1319467032 /nfs/dbraw/zinc/46/70/32/1319467032.db2.gz KBOTZYVYUIZVQU-UHFFFAOYSA-N 1 0 340.811 3.246 20 5 EGBDRO CC(C)(C)c1csc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000819021020 1319616229 /nfs/dbraw/zinc/61/62/29/1319616229.db2.gz NCZCKEHRPPSDIL-CYBMUJFWSA-N 1 0 335.429 3.172 20 5 EGBDRO CC[C@@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)Oc1ccccc1F ZINC000819134037 1319645211 /nfs/dbraw/zinc/64/52/11/1319645211.db2.gz DJEYBTAZCBRTQM-DOTOQJQBSA-N 1 0 348.374 3.215 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H]2CCOC3(CCCCC3)C2)cc1 ZINC000819175095 1319657604 /nfs/dbraw/zinc/65/76/04/1319657604.db2.gz UGAFNNSTYUMFQD-WBVHZDCISA-N 1 0 334.416 3.100 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@H]2C[C@H](c3ccc(F)cc3)C2)cc1 ZINC000819330575 1319700626 /nfs/dbraw/zinc/70/06/26/1319700626.db2.gz VROMNGMDCLBSSI-ZVZYQTTQSA-N 1 0 330.359 3.303 20 5 EGBDRO CCC(C)(C)[NH+]1CCN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000824292121 1320245396 /nfs/dbraw/zinc/24/53/96/1320245396.db2.gz LUQBHIIPIVAFOX-DLBZAZTESA-N 1 0 345.443 3.031 20 5 EGBDRO CCC(C)(C)[NH+]1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000824292122 1320245482 /nfs/dbraw/zinc/24/54/82/1320245482.db2.gz LUQBHIIPIVAFOX-IAGOWNOFSA-N 1 0 345.443 3.031 20 5 EGBDRO CCn1cc([C@@H](C)[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC000825130399 1320313841 /nfs/dbraw/zinc/31/38/41/1320313841.db2.gz XJOUMGQENPEQPZ-CQSZACIVSA-N 1 0 343.431 3.131 20 5 EGBDRO Cc1cc(Cl)c(C(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000825600829 1320349293 /nfs/dbraw/zinc/34/92/93/1320349293.db2.gz VKYGIPYGTAQQEX-LBPRGKRZSA-N 1 0 339.823 3.017 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C(=O)NCC[N@H+]2CCC[C@@H](C)C2)cc1Cl ZINC000836380903 1320480587 /nfs/dbraw/zinc/48/05/87/1320480587.db2.gz ADDKJOLRVJOXNJ-LLVKDONJSA-N 1 0 339.823 3.018 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C(=O)NCC2([NH+](C)C)CCCC2)cc1Cl ZINC000836395480 1320482437 /nfs/dbraw/zinc/48/24/37/1320482437.db2.gz SWZIPEWPVNWRNQ-UHFFFAOYSA-N 1 0 339.823 3.161 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1C(=O)OC[C@@H]1CCCC[N@@H+]1C(C)C ZINC000837356177 1320603450 /nfs/dbraw/zinc/60/34/50/1320603450.db2.gz NGHNCQZMGCKPDZ-AWEZNQCLSA-N 1 0 336.388 3.023 20 5 EGBDRO COc1cc(C(=O)OC[C@H]2CCCC[N@@H+]2C(C)C)ccc1[N+](=O)[O-] ZINC000837487659 1320628285 /nfs/dbraw/zinc/62/82/85/1320628285.db2.gz JRRXRODKEYHDHH-CQSZACIVSA-N 1 0 336.388 3.023 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1C(=O)OC[C@@H]1CCCC[N@@H+]1C(C)C ZINC000837669052 1320663508 /nfs/dbraw/zinc/66/35/08/1320663508.db2.gz ZVYUUYNJHKMKML-AWEZNQCLSA-N 1 0 336.388 3.023 20 5 EGBDRO CCOC(=O)N1CC[C@H]([NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000841753720 1321307263 /nfs/dbraw/zinc/30/72/63/1321307263.db2.gz VFXBIEZEFQQCMY-YOEHRIQHSA-N 1 0 347.415 3.183 20 5 EGBDRO CO[C@@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)CC(C)C ZINC000841755243 1321307271 /nfs/dbraw/zinc/30/72/71/1321307271.db2.gz IDGAGOPMGLECCI-GOSISDBHSA-N 1 0 335.448 3.214 20 5 EGBDRO COC1([C@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2Br)CCC1 ZINC000930721443 1328949722 /nfs/dbraw/zinc/94/97/22/1328949722.db2.gz GBTXAGJAWQIFAB-JTQLQIEISA-N 1 0 343.221 3.405 20 5 EGBDRO Cc1c(-c2nc([C@@H]([NH3+])CC(C)C)no2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000842585373 1321404255 /nfs/dbraw/zinc/40/42/55/1321404255.db2.gz AZXJKHUJWMOBBI-NSHDSACASA-N 1 0 349.347 3.216 20 5 EGBDRO CC(C)(C)c1ccc(-c2nc(CC3CC[NH2+]CC3)no2)cc1[N+](=O)[O-] ZINC000843134192 1321475843 /nfs/dbraw/zinc/47/58/43/1321475843.db2.gz ZFPHEMWFKOEMLA-UHFFFAOYSA-N 1 0 344.415 3.484 20 5 EGBDRO Cc1cc(Cc2noc(C[C@H](C)[C@@H]3CCC[NH2+]C3)n2)ccc1[N+](=O)[O-] ZINC000843192378 1321484830 /nfs/dbraw/zinc/48/48/30/1321484830.db2.gz TURHYNXAHDGYTA-SWLSCSKDSA-N 1 0 344.415 3.055 20 5 EGBDRO Cc1cc(-c2noc(C[C@@H](C)[C@H]3CCC[NH2+]C3)n2)cc([N+](=O)[O-])c1 ZINC000843239111 1321495256 /nfs/dbraw/zinc/49/52/56/1321495256.db2.gz DHEHDEHKXXQHLP-OLZOCXBDSA-N 1 0 330.388 3.131 20 5 EGBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000843766036 1321545361 /nfs/dbraw/zinc/54/53/61/1321545361.db2.gz OYHXCJPZCOFUJE-NWDGAFQWSA-N 1 0 337.395 3.035 20 5 EGBDRO CC(C)(C)[N@@H+]1CC[C@@H]1COC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000845730469 1321736818 /nfs/dbraw/zinc/73/68/18/1321736818.db2.gz NYJXBMKLKQRGQO-OWCLPIDISA-N 1 0 332.400 3.114 20 5 EGBDRO CN(CC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000848524875 1321968595 /nfs/dbraw/zinc/96/85/95/1321968595.db2.gz IUZAMJXPXIREAC-CQSZACIVSA-N 1 0 335.404 3.039 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000848525761 1321969221 /nfs/dbraw/zinc/96/92/21/1321969221.db2.gz UHSXVCDAEOTYFN-INIZCTEOSA-N 1 0 327.340 3.323 20 5 EGBDRO COC(=O)Cc1ccccc1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000848574058 1321978780 /nfs/dbraw/zinc/97/87/80/1321978780.db2.gz OIRINPVEAWCFRF-CQSZACIVSA-N 1 0 342.395 3.470 20 5 EGBDRO COc1ccc(CNC(=[NH2+])Nc2ccc(C)c(C)c2)cc1[N+](=O)[O-] ZINC000849065179 1322063832 /nfs/dbraw/zinc/06/38/32/1322063832.db2.gz AWJZVWRVGNTVSE-UHFFFAOYSA-N 1 0 328.372 3.357 20 5 EGBDRO CC[NH+](CC)CCN(CC(C)C)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000920003026 1322127574 /nfs/dbraw/zinc/12/75/74/1322127574.db2.gz SIISXUFDRWKOBX-FMIVXFBMSA-N 1 0 347.459 3.434 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H](O)c1ccccc1C ZINC000850434718 1322248748 /nfs/dbraw/zinc/24/87/48/1322248748.db2.gz WXWMSRCSUDNJBQ-GUYCJALGSA-N 1 0 330.384 3.296 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@]1(O)CCc2ccccc21 ZINC000850449241 1322251525 /nfs/dbraw/zinc/25/15/25/1322251525.db2.gz XSPKQGMGSUIZPQ-DJJJIMSYSA-N 1 0 342.395 3.088 20 5 EGBDRO C[C@@H](CN(C)C(=O)OC(C)(C)C)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000850578476 1322271753 /nfs/dbraw/zinc/27/17/53/1322271753.db2.gz LMHGJVZHGYXWNV-WFASDCNBSA-N 1 0 349.431 3.427 20 5 EGBDRO C[C@@H](CN(C)C(=O)OC(C)(C)C)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000850578475 1322271789 /nfs/dbraw/zinc/27/17/89/1322271789.db2.gz LMHGJVZHGYXWNV-SWLSCSKDSA-N 1 0 349.431 3.427 20 5 EGBDRO Cc1cc(C(F)(F)F)nn1CC[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000922427151 1322526642 /nfs/dbraw/zinc/52/66/42/1322526642.db2.gz BCBMEEMRSKGQTI-UHFFFAOYSA-N 1 0 342.321 3.217 20 5 EGBDRO C[C@@H](NC(=O)N(CC[NH+](C)C)C1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000925239598 1325091849 /nfs/dbraw/zinc/09/18/49/1325091849.db2.gz XYXJFFSTZRKWAT-CQSZACIVSA-N 1 0 348.447 3.172 20 5 EGBDRO CC1CCC([N@H+](C)Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)CC1 ZINC000853490894 1325103576 /nfs/dbraw/zinc/10/35/76/1325103576.db2.gz IEHNNCWCCZFGOA-UHFFFAOYSA-N 1 0 329.404 3.321 20 5 EGBDRO CC(C)C[C@@H]1CC[N@H+](Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)C1 ZINC000853499250 1325105831 /nfs/dbraw/zinc/10/58/31/1325105831.db2.gz IYDAXADVCHOQTE-AWEZNQCLSA-N 1 0 329.404 3.179 20 5 EGBDRO CN(CC1CC[NH+](C)CC1)c1cccc(Br)c1[N+](=O)[O-] ZINC000856729093 1325514703 /nfs/dbraw/zinc/51/47/03/1325514703.db2.gz PJCWALWVVWCQOK-UHFFFAOYSA-N 1 0 342.237 3.135 20 5 EGBDRO C[C@H]([NH2+]C[C@H]1CCCN1CC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000926927091 1327780665 /nfs/dbraw/zinc/78/06/65/1327780665.db2.gz RWGUSLFOLUOTJH-SMDDNHRTSA-N 1 0 331.338 3.272 20 5 EGBDRO C[C@@H]([NH2+]CCc1nc2c(s1)CCC2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000926929448 1327781644 /nfs/dbraw/zinc/78/16/44/1327781644.db2.gz NQRFPAWLVVWXNQ-SNVBAGLBSA-N 1 0 332.429 3.016 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](c1cnn(C)c1)C(C)C ZINC000927065555 1327837889 /nfs/dbraw/zinc/83/78/89/1327837889.db2.gz GCEICICSILYFBF-YVEFUNNKSA-N 1 0 332.404 3.385 20 5 EGBDRO C[C@@H](C[N@H+](C)C/C=C/c1ccccc1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000862541580 1329494976 /nfs/dbraw/zinc/49/49/76/1329494976.db2.gz WYKLMUZWVCIGHS-PLWJUESGSA-N 1 0 349.431 3.453 20 5 EGBDRO C[C@H](C[N@H+](C)C/C=C/c1ccccc1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000862541583 1329495042 /nfs/dbraw/zinc/49/50/42/1329495042.db2.gz WYKLMUZWVCIGHS-QSYFUGGGSA-N 1 0 349.431 3.453 20 5 EGBDRO C[C@H]([NH2+][C@@H](c1ccccn1)C1CC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000932379270 1329810090 /nfs/dbraw/zinc/81/00/90/1329810090.db2.gz XRRCWFVPNWHTLX-YVEFUNNKSA-N 1 0 340.383 3.058 20 5 EGBDRO CCN(CCC[NH+]1CCCC1)C(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000935591942 1330062483 /nfs/dbraw/zinc/06/24/83/1330062483.db2.gz SNKGZZSZBINAKN-MSOLQXFVSA-N 1 0 345.443 3.033 20 5 EGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@](C)(O)c1ccccc1 ZINC000866266518 1330088013 /nfs/dbraw/zinc/08/80/13/1330088013.db2.gz ISCAAYLVFWVGST-UGSOOPFHSA-N 1 0 332.375 3.162 20 5 EGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H](C)[C@@H](O)c1ccccc1 ZINC000866358628 1330101922 /nfs/dbraw/zinc/10/19/22/1330101922.db2.gz KOLIOWPMWNWYJI-FHSNZYRGSA-N 1 0 332.375 3.377 20 5 EGBDRO CC1(NC(=O)C2CC=CC2)CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001045395588 1346582193 /nfs/dbraw/zinc/58/21/93/1346582193.db2.gz REXWUYCETAMAEO-UHFFFAOYSA-N 1 0 343.427 3.032 20 5 EGBDRO CCC(C)(C)C(=O)N1CC2(C1)CC[N@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC001072933387 1355505461 /nfs/dbraw/zinc/50/54/61/1355505461.db2.gz WMCLURIMKJHYDY-UHFFFAOYSA-N 1 0 345.443 3.065 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2csc(N3CCC[N@@H+]4CCC[C@H]4C3)n2)cc1 ZINC001325180515 1387911766 /nfs/dbraw/zinc/91/17/66/1387911766.db2.gz NJSJAUIDEYMULT-HNNXBMFYSA-N 1 0 344.440 3.393 20 5 EGBDRO CCCCCC(=O)N1CCCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001194855993 1368334999 /nfs/dbraw/zinc/33/49/99/1368334999.db2.gz KXDGTAAVSPCMPX-UHFFFAOYSA-N 1 0 333.432 3.209 20 5 EGBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001325531494 1387998175 /nfs/dbraw/zinc/99/81/75/1387998175.db2.gz XEUBEKCLTOKUOY-NXHRZFHOSA-N 1 0 347.459 3.153 20 5 EGBDRO CC(C)C(=O)NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC001115412260 1370441518 /nfs/dbraw/zinc/44/15/18/1370441518.db2.gz WCTPQAZNEMSXJN-UHFFFAOYSA-N 1 0 333.432 3.160 20 5 EGBDRO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC001116038670 1370825002 /nfs/dbraw/zinc/82/50/02/1370825002.db2.gz ZUXWFVABNDMCBG-HOTGVXAUSA-N 1 0 347.459 3.495 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCC[N@@H+]3CCC[C@@H]3C2)c(Br)c1 ZINC001116131667 1370844490 /nfs/dbraw/zinc/84/44/90/1370844490.db2.gz FFFUQMDQRKWRDJ-GFCCVEGCSA-N 1 0 340.221 3.032 20 5 EGBDRO C[NH+](C)[C@@H]1CCCC[C@H]1Nc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC001116139374 1370845838 /nfs/dbraw/zinc/84/58/38/1370845838.db2.gz PQYGUQYVRQMBBY-VXGBXAGGSA-N 1 0 329.347 3.481 20 5 EGBDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC001116753143 1370968102 /nfs/dbraw/zinc/96/81/02/1370968102.db2.gz MWGHRDRMGJOPPS-DZUCGIPZSA-N 1 0 346.427 3.237 20 5 EGBDRO O=[N+]([O-])c1ccn(C2CC[NH+]([C@H]3CCc4c3cccc4F)CC2)n1 ZINC001116821017 1370981416 /nfs/dbraw/zinc/98/14/16/1370981416.db2.gz HAOYVTXHDYMQRZ-INIZCTEOSA-N 1 0 330.363 3.255 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCc2c(F)cccc2Cl)c1 ZINC001118150007 1371138987 /nfs/dbraw/zinc/13/89/87/1371138987.db2.gz VQOOBZOYONHNAE-INIZCTEOSA-N 1 0 338.766 3.253 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](C)c1ccc(Cl)c(F)c1 ZINC001119252741 1371290831 /nfs/dbraw/zinc/29/08/31/1371290831.db2.gz NXYIXJULAYLVPW-VIFPVBQESA-N 1 0 326.759 3.243 20 5 EGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1CN1CCC[N@@H+]2CCC[C@H]2C1 ZINC001119295187 1371299719 /nfs/dbraw/zinc/29/97/19/1371299719.db2.gz FKRBALCFCQUJPD-AWEZNQCLSA-N 1 0 343.349 3.284 20 5 EGBDRO COc1c(O)ccc(C[NH+]2CCC(c3ccncc3)CC2)c1[N+](=O)[O-] ZINC001120053823 1371470648 /nfs/dbraw/zinc/47/06/48/1371470648.db2.gz NZUPFNCTVJMMQQ-UHFFFAOYSA-N 1 0 343.383 3.084 20 5 EGBDRO C[C@@H]1C[NH2+]C[C@H]1c1nc(-c2ccc3ccc4cccnc4c3n2)no1 ZINC001212328827 1372688695 /nfs/dbraw/zinc/68/86/95/1372688695.db2.gz IJYOYWLOIQWAEL-BXUZGUMPSA-N 1 0 331.379 3.156 20 5 EGBDRO Cc1ccc(Nc2ccccc2N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC001213667034 1372942316 /nfs/dbraw/zinc/94/23/16/1372942316.db2.gz ITTBMMOARNTSLR-UHFFFAOYSA-N 1 0 326.400 3.399 20 5 EGBDRO Cc1cc(O[C@H]2CCC[NH2+]C[C@H]2F)c([N+](=O)[O-])cc1Br ZINC001217950111 1373516704 /nfs/dbraw/zinc/51/67/04/1373516704.db2.gz OYJVMPULOFUYDR-PWSUYJOCSA-N 1 0 347.184 3.135 20 5 EGBDRO C[C@H]1CC[NH2+]CC[C@H]1Oc1cc([N+](=O)[O-])c(Br)cc1F ZINC001218025321 1373541253 /nfs/dbraw/zinc/54/12/53/1373541253.db2.gz SUDYJSKAPASGRZ-QPUJVOFHSA-N 1 0 347.184 3.263 20 5 EGBDRO C[C@@H]1CC[NH2+]CC[C@H]1Oc1c(Br)cccc1[N+](=O)[O-] ZINC001218028153 1373542151 /nfs/dbraw/zinc/54/21/51/1373542151.db2.gz SUBQQZBYSXSZEX-BXKDBHETSA-N 1 0 329.194 3.124 20 5 EGBDRO C[C@@H]1C[C@@H](Oc2cc(C(=O)OC(C)(C)C)ccc2[N+](=O)[O-])CC[NH2+]1 ZINC001218053762 1373548614 /nfs/dbraw/zinc/54/86/14/1373548614.db2.gz UFNPJGHLMRXPSQ-YPMHNXCESA-N 1 0 336.388 3.069 20 5 EGBDRO O=[N+]([O-])c1cc(Br)cc(O[C@@H]2CCC23CC[NH2+]CC3)c1 ZINC001218085995 1373556909 /nfs/dbraw/zinc/55/69/09/1373556909.db2.gz XSWLPOHKQDVEIQ-CYBMUJFWSA-N 1 0 341.205 3.268 20 5 EGBDRO Cc1cc(Br)cc([N+](=O)[O-])c1O[C@H]1CC[C@]12CC[NH2+]C2 ZINC001218121981 1373565036 /nfs/dbraw/zinc/56/50/36/1373565036.db2.gz YSNBOYUQUYVELS-GXTWGEPZSA-N 1 0 341.205 3.187 20 5 EGBDRO CC(C)(C)OC(=O)c1ccc(O[C@H]2CC[C@]23CC[NH2+]C3)c([N+](=O)[O-])c1 ZINC001218121806 1373565060 /nfs/dbraw/zinc/56/50/60/1373565060.db2.gz CFHPONUTACQGLP-MAUKXSAKSA-N 1 0 348.399 3.071 20 5 EGBDRO C[C@@H](Oc1ccc2c(c1)CC[NH2+]C2)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001218214244 1373579679 /nfs/dbraw/zinc/57/96/79/1373579679.db2.gz MGPAZQTUASVNLV-LLVKDONJSA-N 1 0 342.351 3.109 20 5 EGBDRO C[C@H](Oc1cccc(CN2CC[NH2+]CC2)c1)c1cccc([N+](=O)[O-])c1 ZINC001218342925 1373600579 /nfs/dbraw/zinc/60/05/79/1373600579.db2.gz ALUNQJZSKJIVQM-HNNXBMFYSA-N 1 0 341.411 3.140 20 5 EGBDRO C[C@H]1CC[C@@H](Oc2cc([N+](=O)[O-])c(F)cc2Br)C[NH2+]1 ZINC001218395257 1373606783 /nfs/dbraw/zinc/60/67/83/1373606783.db2.gz VFSVSNLJSDUOMS-JGVFFNPUSA-N 1 0 333.157 3.016 20 5 EGBDRO C[C@H]1CC[C@@H](Oc2c([N+](=O)[O-])cc(C(C)(C)C)cc2[N+](=O)[O-])C[NH2+]1 ZINC001218397419 1373606845 /nfs/dbraw/zinc/60/68/45/1373606845.db2.gz DMYVIYMNUAIOPE-CMPLNLGQSA-N 1 0 337.376 3.320 20 5 EGBDRO C[C@@H]1CC[NH2+]C[C@@H]1Oc1c2ccccc2c(O)c2c(O)ccc(O)c12 ZINC001218481259 1373622568 /nfs/dbraw/zinc/62/25/68/1373622568.db2.gz NRDRBXWJRINOFX-BZNIZROVSA-N 1 0 339.391 3.487 20 5 EGBDRO CC[C@@]1(C(=O)Nc2cc3nc4ccccc4nc3cc2N)CCC[NH2+]C1 ZINC001218858278 1373661852 /nfs/dbraw/zinc/66/18/52/1373661852.db2.gz XETVCFPAGYBAOD-HXUWFJFHSA-N 1 0 349.438 3.084 20 5 EGBDRO Nc1cc2nc3ccccc3nc2cc1NC(=O)[C@@H]([NH3+])CC1CCCC1 ZINC001218858264 1373662124 /nfs/dbraw/zinc/66/21/24/1373662124.db2.gz WQJLQJGAPXHFKA-AWEZNQCLSA-N 1 0 349.438 3.211 20 5 EGBDRO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1Oc1ncccc1[N+](=O)[O-] ZINC001225589830 1375127438 /nfs/dbraw/zinc/12/74/38/1375127438.db2.gz FRAOKBPTNJVJSK-RHSMWYFYSA-N 1 0 327.384 3.279 20 5 EGBDRO CC[NH+]1CCC(Oc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC001225658858 1375139688 /nfs/dbraw/zinc/13/96/88/1375139688.db2.gz LXAZFXNAMAPHOA-UHFFFAOYSA-N 1 0 329.194 3.220 20 5 EGBDRO Cc1cc(O[C@H]2CCC[N@@H+]([C@H](C)c3ccccn3)C2)ncc1[N+](=O)[O-] ZINC001225658861 1375140084 /nfs/dbraw/zinc/14/00/84/1375140084.db2.gz LZNDTEBHQHKZDF-CABCVRRESA-N 1 0 342.399 3.298 20 5 EGBDRO Cc1ccnc(O[C@@H]2CCC[N@@H+]([C@H](C)c3ccccn3)C2)c1[N+](=O)[O-] ZINC001226118227 1375206447 /nfs/dbraw/zinc/20/64/47/1375206447.db2.gz JAFFZARHVTVAEA-HUUCEWRRSA-N 1 0 342.399 3.298 20 5 EGBDRO C[C@H](c1ccccn1)N1CC[C@@H](Oc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC001226747849 1375323696 /nfs/dbraw/zinc/32/36/96/1375323696.db2.gz GPSREGLBIMPNLG-DGCLKSJQSA-N 1 0 349.337 3.482 20 5 EGBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Oc1ncc(F)cc1[N+](=O)[O-] ZINC001226752076 1375324724 /nfs/dbraw/zinc/32/47/24/1375324724.db2.gz XITBECRISSHZJD-DYVFJYSZSA-N 1 0 345.374 3.418 20 5 EGBDRO C[NH+](C)CC[C@H](Oc1ncc(F)cc1[N+](=O)[O-])c1cccs1 ZINC001226753586 1375326369 /nfs/dbraw/zinc/32/63/69/1375326369.db2.gz IAFKYIMWFAHIOB-LBPRGKRZSA-N 1 0 325.365 3.262 20 5 EGBDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2Oc1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC001226906212 1375354681 /nfs/dbraw/zinc/35/46/81/1375354681.db2.gz DNUFYLUJLYJTJW-KEODLESXSA-N 1 0 328.771 3.496 20 5 EGBDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2Oc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC001227153690 1375398612 /nfs/dbraw/zinc/39/86/12/1375398612.db2.gz BAFRSOWKYFVLNE-KEODLESXSA-N 1 0 328.771 3.496 20 5 EGBDRO COC(=O)c1cccc(O[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)c1[N+](=O)[O-] ZINC001227898123 1375489521 /nfs/dbraw/zinc/48/95/21/1375489521.db2.gz YMYHMXDOYOTOGP-WDNDVIMCSA-N 1 0 348.399 3.164 20 5 EGBDRO COCCC[NH+]1CCC(Oc2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC001228137653 1375520412 /nfs/dbraw/zinc/52/04/12/1375520412.db2.gz GJUIZPKALONOEB-UHFFFAOYSA-N 1 0 345.399 3.023 20 5 EGBDRO C[NH+]1CCC2(CC[C@@H](COc3cc(Cl)cc([N+](=O)[O-])c3)O2)CC1 ZINC001228254962 1375535150 /nfs/dbraw/zinc/53/51/50/1375535150.db2.gz CEMXKTIGSHAURY-AWEZNQCLSA-N 1 0 340.807 3.270 20 5 EGBDRO C[C@H](C[N+](C)(C)C)Oc1cc(/C=C/c2cc(O)cc(O)c2)ccc1O ZINC001228380351 1375560544 /nfs/dbraw/zinc/56/05/44/1375560544.db2.gz ZETQAKFCEVGHJQ-VBROQKIQSA-O 1 0 344.431 3.447 20 5 EGBDRO O=C(CCCC1CC1)NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001228737660 1375656614 /nfs/dbraw/zinc/65/66/14/1375656614.db2.gz WERWUPNOSXKQKL-UHFFFAOYSA-N 1 0 345.443 3.256 20 5 EGBDRO COCC[NH+]1CCC(Oc2c([N+](=O)[O-])cccc2C(F)(F)F)CC1 ZINC001228930734 1375718820 /nfs/dbraw/zinc/71/88/20/1375718820.db2.gz PEELYYYCHRFFMW-UHFFFAOYSA-N 1 0 348.321 3.103 20 5 EGBDRO C[N@@H+]1CCC[C@@H](Oc2ccc([N+](=O)[O-])c(Br)c2)CC1 ZINC001229080528 1375759059 /nfs/dbraw/zinc/75/90/59/1375759059.db2.gz GHFRSXHAKHAPKG-SNVBAGLBSA-N 1 0 329.194 3.220 20 5 EGBDRO CCCCCCOc1ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)cc1 ZINC001230676399 1376123870 /nfs/dbraw/zinc/12/38/70/1376123870.db2.gz CZSTZJAHAXMGKB-MRXNPFEDSA-N 1 0 338.468 3.008 20 5 EGBDRO Cc1cc(Br)c(O[C@@H](C)C[N+](C)(C)C)cc1[N+](=O)[O-] ZINC001230982311 1376189969 /nfs/dbraw/zinc/18/99/69/1376189969.db2.gz ZTRGDXATKNQFDP-JTQLQIEISA-N 1 0 332.218 3.139 20 5 EGBDRO C[N@H+](C1CC1)[C@@H]1CCN(Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232226642 1376420203 /nfs/dbraw/zinc/42/02/03/1376420203.db2.gz VOMWPHZYRSHEEB-LJQANCHMSA-N 1 0 332.451 3.452 20 5 EGBDRO Cc1ccnc([N+](=O)[O-])c1O[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001233551681 1376666733 /nfs/dbraw/zinc/66/67/33/1376666733.db2.gz RCZNSNGUOJLLFG-INIZCTEOSA-N 1 0 327.384 3.342 20 5 EGBDRO CC[NH+]1CCC(Oc2cc(N3CCCCC3)ccc2[N+](=O)[O-])CC1 ZINC001234364383 1376820354 /nfs/dbraw/zinc/82/03/54/1376820354.db2.gz RIOHNQCNUXOYBF-UHFFFAOYSA-N 1 0 333.432 3.448 20 5 EGBDRO CC(C)(C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC001135004699 1376840278 /nfs/dbraw/zinc/84/02/78/1376840278.db2.gz VAOSBIGIWWIRAO-UHFFFAOYSA-N 1 0 347.459 3.407 20 5 EGBDRO C[N@H+](CCCNC(=O)CC1=CCCCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001235766795 1376891138 /nfs/dbraw/zinc/89/11/38/1376891138.db2.gz QZENBAODPBBQMX-UHFFFAOYSA-N 1 0 345.443 3.423 20 5 EGBDRO [NH3+][C@H]1CCC[C@@H]1c1nc(-c2ccc3ccc4cccnc4c3n2)no1 ZINC001247622022 1377062784 /nfs/dbraw/zinc/06/27/84/1377062784.db2.gz GPYUVNMWBNIQDC-KBPBESRZSA-N 1 0 331.379 3.428 20 5 EGBDRO CC(C)c1cccc(C(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)c1 ZINC001146622886 1378879176 /nfs/dbraw/zinc/87/91/76/1378879176.db2.gz CRYQEUKVCQADLS-UHFFFAOYSA-N 1 0 347.440 3.299 20 5 EGBDRO O=[N+]([O-])c1c(Cl)cc(Cl)nc1NC[C@]1(F)CCCC[NH2+]C1 ZINC001155117111 1380411642 /nfs/dbraw/zinc/41/16/42/1380411642.db2.gz NWGYIKBUWNSURF-LBPRGKRZSA-N 1 0 337.182 3.190 20 5 EGBDRO Cc1nc(Cl)c([N+](=O)[O-])c(-n2ccc3cc([C@H](C)[NH3+])ccc32)n1 ZINC001155338669 1380438952 /nfs/dbraw/zinc/43/89/52/1380438952.db2.gz MJGFYCUGPDYZHC-QMMMGPOBSA-N 1 0 331.763 3.310 20 5 EGBDRO O=[N+]([O-])c1cnc(N[C@@H]2C[NH2+]Cc3ccsc32)c2ccccc21 ZINC001155560263 1380468721 /nfs/dbraw/zinc/46/87/21/1380468721.db2.gz BZZYITIJFBJEHP-CYBMUJFWSA-N 1 0 326.381 3.461 20 5 EGBDRO CN(CC1CC[NH+](C)CC1)C(=O)c1ccnc2c1ccc1cccnc12 ZINC001155812120 1380494224 /nfs/dbraw/zinc/49/42/24/1380494224.db2.gz TUJUMLVBEAXSCT-UHFFFAOYSA-N 1 0 348.450 3.197 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)ncnc2NCC1C[NH+](Cc2ccccc2)C1 ZINC001156399900 1380571288 /nfs/dbraw/zinc/57/12/88/1380571288.db2.gz BUSIQQNCRVJSRJ-UHFFFAOYSA-N 1 0 349.394 3.082 20 5 EGBDRO Cc1c(C)c(-n2cncc2C[NH2+]Cc2ccccc2)ncc1[N+](=O)[O-] ZINC001156496815 1380584049 /nfs/dbraw/zinc/58/40/49/1380584049.db2.gz YMYVNJNJPSTNGR-UHFFFAOYSA-N 1 0 337.383 3.082 20 5 EGBDRO O=[N+]([O-])c1ccc(-n2ccc3c2CC[NH2+]C3)nc1-c1ccc(F)cc1 ZINC001157453419 1380908001 /nfs/dbraw/zinc/90/80/01/1380908001.db2.gz DXQDLJYBOOIOBX-UHFFFAOYSA-N 1 0 338.342 3.232 20 5 EGBDRO CC(C)(CC(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001157526543 1380956870 /nfs/dbraw/zinc/95/68/70/1380956870.db2.gz RJABFGWPYKNPSO-UHFFFAOYSA-N 1 0 333.432 3.017 20 5 EGBDRO [NH3+]CC[C@H]1CN(c2cnc3ccc([N+](=O)[O-])cc3n2)c2ccccc21 ZINC001157739130 1381018006 /nfs/dbraw/zinc/01/80/06/1381018006.db2.gz HFIFWAMGWLKLAT-LBPRGKRZSA-N 1 0 335.367 3.122 20 5 EGBDRO CCOc1nc(N[C@@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)ccc1[N+](=O)[O-] ZINC001158267270 1381178334 /nfs/dbraw/zinc/17/83/34/1381178334.db2.gz WATADDZEQUTKSR-PXAZEXFGSA-N 1 0 336.436 3.344 20 5 EGBDRO CCOc1nc(N(C2CCCC2)C2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001158487501 1381265338 /nfs/dbraw/zinc/26/53/38/1381265338.db2.gz DOEWZYHDNGHRQD-UHFFFAOYSA-N 1 0 348.447 3.232 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1Nc1ccc(O[C@H]2CC[NH2+]C2)cc1 ZINC001159924744 1381939857 /nfs/dbraw/zinc/93/98/57/1381939857.db2.gz XEFHNKPSNMRJRN-HNNXBMFYSA-N 1 0 329.356 3.088 20 5 EGBDRO [NH3+][C@H]1CCc2c3ccccc3n(-c3cc([N+](=O)[O-])cc(Cl)n3)c2C1 ZINC001159943325 1381943383 /nfs/dbraw/zinc/94/33/83/1381943383.db2.gz RYBGHPPVNKMTQU-JTQLQIEISA-N 1 0 342.786 3.403 20 5 EGBDRO Cc1ncc([N+](=O)[O-])cc1Nc1ccc(O[C@@H]2CCC[NH2+]C2)cc1 ZINC001159953376 1381948137 /nfs/dbraw/zinc/94/81/37/1381948137.db2.gz HAISRCFTCAFQFB-MRXNPFEDSA-N 1 0 328.372 3.173 20 5 EGBDRO O=[N+]([O-])c1cc(F)cc(Nc2cc(F)ccc2N2CC[NH2+]CC2)c1 ZINC001160053126 1381982470 /nfs/dbraw/zinc/98/24/70/1381982470.db2.gz VPOZZEDSIOWQAN-UHFFFAOYSA-N 1 0 334.326 3.026 20 5 EGBDRO O=[N+]([O-])c1cc(Nc2cccc(F)c2N2CC[NH2+]CC2)ccc1F ZINC001160113776 1382000875 /nfs/dbraw/zinc/00/08/75/1382000875.db2.gz DNQVTUNSTIUZRA-UHFFFAOYSA-N 1 0 334.326 3.026 20 5 EGBDRO Nc1ccc(Nc2cc(F)ccc2OC2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC001160134575 1382010145 /nfs/dbraw/zinc/01/01/45/1382010145.db2.gz MUYHHYDXWRQFPW-UHFFFAOYSA-N 1 0 346.362 3.191 20 5 EGBDRO O=[N+]([O-])c1cc(O)cc(Nc2ccccc2OCC2CC[NH2+]CC2)c1 ZINC001160187938 1382028299 /nfs/dbraw/zinc/02/82/99/1382028299.db2.gz BNBMITLQWLBXOF-UHFFFAOYSA-N 1 0 343.383 3.422 20 5 EGBDRO COc1ccc(Nc2cccc(O[C@H]3CCC[NH2+]C3)c2)cc1[N+](=O)[O-] ZINC001160213022 1382035955 /nfs/dbraw/zinc/03/59/55/1382035955.db2.gz YJNUZSGYZFYRQZ-INIZCTEOSA-N 1 0 343.383 3.478 20 5 EGBDRO Cc1cncc([N+](=O)[O-])c1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC001328522856 1388769685 /nfs/dbraw/zinc/76/96/85/1388769685.db2.gz LAWQNSWDRLDUJK-MRXNPFEDSA-N 1 0 332.448 3.247 20 5 EGBDRO COc1cc(NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)ncc1[N+](=O)[O-] ZINC001161885449 1382540473 /nfs/dbraw/zinc/54/04/73/1382540473.db2.gz PXZDXHAVISZGTM-HNNXBMFYSA-N 1 0 342.399 3.075 20 5 EGBDRO Cc1cc(C(=O)NCCC[NH2+]Cc2ccccc2[N+](=O)[O-])c(C)s1 ZINC001161978051 1382584268 /nfs/dbraw/zinc/58/42/68/1382584268.db2.gz GTIYGMGDEKUFHQ-UHFFFAOYSA-N 1 0 347.440 3.183 20 5 EGBDRO CNc1cc([N+](=O)[O-])cnc1N(CC[NH3+])c1cccc2ccccc21 ZINC001162004805 1382596461 /nfs/dbraw/zinc/59/64/61/1382596461.db2.gz GZSUGDMQGACCEB-UHFFFAOYSA-N 1 0 337.383 3.282 20 5 EGBDRO [NH3+]Cc1ccc(Nc2nc(Cl)nc(Cl)c2[N+](=O)[O-])cc1F ZINC001162522406 1382780260 /nfs/dbraw/zinc/78/02/60/1382780260.db2.gz BPPVJPYSALYUJC-UHFFFAOYSA-N 1 0 332.122 3.033 20 5 EGBDRO O=[N+]([O-])c1c(Cl)ccc2nc(NC[C@@H]3CC[NH2+]C[C@@H]3F)ccc21 ZINC001162805093 1382878505 /nfs/dbraw/zinc/87/85/05/1382878505.db2.gz JDVPEKFPANTQMQ-CABZTGNLSA-N 1 0 338.770 3.156 20 5 EGBDRO [NH3+][C@H]1Cc2ccccc2N(c2ccc3cc(F)cc([N+](=O)[O-])c3n2)C1 ZINC001162847340 1382893364 /nfs/dbraw/zinc/89/33/64/1382893364.db2.gz NCFZLUHWVKYMSK-AWEZNQCLSA-N 1 0 338.342 3.304 20 5 EGBDRO CCOc1cc([N+](=O)[O-])ccc1NCC[C@H]1C[NH2+]Cc2cccn2C1 ZINC001163061399 1382958875 /nfs/dbraw/zinc/95/88/75/1382958875.db2.gz UNWXHBMQQFPELP-AWEZNQCLSA-N 1 0 344.415 3.017 20 5 EGBDRO O=[N+]([O-])c1cc2c(nc1N[C@H]1C[NH2+]Cc3ccsc31)CCCC2 ZINC001163221230 1382996768 /nfs/dbraw/zinc/99/67/68/1382996768.db2.gz OUYAVECIXSTUMN-ZDUSSCGKSA-N 1 0 330.413 3.187 20 5 EGBDRO O=[N+]([O-])c1cc(N[C@H]2C[NH2+]Cc3ccsc32)cc2cccnc21 ZINC001163227811 1382998421 /nfs/dbraw/zinc/99/84/21/1382998421.db2.gz CNIFVXJRWYGLLH-ZDUSSCGKSA-N 1 0 326.381 3.461 20 5 EGBDRO CCOC(=O)c1cccc([N+](=O)[O-])c1N[C@@H]1C[NH2+]Cc2ccsc21 ZINC001163227975 1382999605 /nfs/dbraw/zinc/99/96/05/1382999605.db2.gz GCRUJFJTDPCREQ-GFCCVEGCSA-N 1 0 347.396 3.089 20 5 EGBDRO CC(C)CCC(=O)NCCC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001163324648 1383022475 /nfs/dbraw/zinc/02/24/75/1383022475.db2.gz NCBXYHBTAXGQFX-UHFFFAOYSA-N 1 0 347.459 3.407 20 5 EGBDRO CC/C=C(/C)C(=O)NCCC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001163676852 1383103666 /nfs/dbraw/zinc/10/36/66/1383103666.db2.gz MDWFSMPHIUNSDS-WCSRMQSCSA-N 1 0 345.443 3.327 20 5 EGBDRO C[NH+](C)Cc1cccc(CNc2ccc3c([N+](=O)[O-])c[nH]c3n2)c1 ZINC001163992646 1383144082 /nfs/dbraw/zinc/14/40/82/1383144082.db2.gz HUYDQTYJEKLSCF-UHFFFAOYSA-N 1 0 325.372 3.145 20 5 EGBDRO O=C(C=C1CCC1)NCCC1(C[NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC001164036442 1383149075 /nfs/dbraw/zinc/14/90/75/1383149075.db2.gz MEIRQXBSIRZFBV-UHFFFAOYSA-N 1 0 349.456 3.143 20 5 EGBDRO O=[N+]([O-])c1cnc(N2CC[NH2+][C@H](Cc3ccccc3)C2)c2ccccc21 ZINC001164608952 1383207647 /nfs/dbraw/zinc/20/76/47/1383207647.db2.gz YQMQNTFYRMVQNP-MRXNPFEDSA-N 1 0 348.406 3.164 20 5 EGBDRO CC[NH+]1CCC(N(C)c2nc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC001165067055 1383220859 /nfs/dbraw/zinc/22/08/59/1383220859.db2.gz AFOKRXVALVFXRH-UHFFFAOYSA-N 1 0 333.219 3.217 20 5 EGBDRO C[NH+]1C[C@@H]2CN(c3ccc4ccc5ccc(Cl)nc5c4n3)C[C@H]2C1 ZINC001165149955 1383237097 /nfs/dbraw/zinc/23/70/97/1383237097.db2.gz LSERIYBSRGLDDQ-HUUCEWRRSA-N 1 0 338.842 3.434 20 5 EGBDRO COC(=O)c1c(C)c([N+](=O)[O-])ccc1NCC1CC[NH+](C(C)C)CC1 ZINC001166637076 1383451298 /nfs/dbraw/zinc/45/12/98/1383451298.db2.gz OWQZWKVQTALZNG-UHFFFAOYSA-N 1 0 349.431 3.222 20 5 EGBDRO CN(C[C@@H]1CC[NH2+]C1)c1ccc2ccc3ccc(Cl)nc3c2n1 ZINC001166955758 1383504211 /nfs/dbraw/zinc/50/42/11/1383504211.db2.gz FWLZBJZFIFYQEI-GFCCVEGCSA-N 1 0 326.831 3.482 20 5 EGBDRO [NH3+]Cc1cnc2c(ccn2-c2cc(Cl)ccc2/C=C/[N+](=O)[O-])c1 ZINC001167314174 1383594262 /nfs/dbraw/zinc/59/42/62/1383594262.db2.gz RYHYFHFMVKWWAQ-GQCTYLIASA-N 1 0 328.759 3.385 20 5 EGBDRO CC1(C)CC([NH3+])CC(C)(C)N1c1ncnc2cc(F)c([N+](=O)[O-])cc21 ZINC001167625208 1383691973 /nfs/dbraw/zinc/69/19/73/1383691973.db2.gz GSLBEZNSVCNLHB-UHFFFAOYSA-N 1 0 347.394 3.162 20 5 EGBDRO C[C@H]1CCCC[N@@H+]1CCCNc1ncnc2cc(F)c([N+](=O)[O-])cc21 ZINC001167751837 1383730537 /nfs/dbraw/zinc/73/05/37/1383730537.db2.gz PROQZEKXWITWSU-LBPRGKRZSA-N 1 0 347.394 3.354 20 5 EGBDRO C[C@@H]1CCCC[N@@H+]1CCCNc1ncc2cccc([N+](=O)[O-])c2n1 ZINC001167752207 1383731018 /nfs/dbraw/zinc/73/10/18/1383731018.db2.gz RIJFKQNQXCVZNC-CYBMUJFWSA-N 1 0 329.404 3.214 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC001167943929 1383774809 /nfs/dbraw/zinc/77/48/09/1383774809.db2.gz UZCUUMVUPSCVGM-ZDUSSCGKSA-N 1 0 337.420 3.154 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(Br)c(Cl)n2)C1 ZINC001168983667 1384079403 /nfs/dbraw/zinc/07/94/03/1384079403.db2.gz KIXFNFXZLKCEJA-RKDXNWHRSA-N 1 0 348.628 3.033 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCc3cc(Br)ccc32)C1 ZINC001168985226 1384079434 /nfs/dbraw/zinc/07/94/34/1384079434.db2.gz RTFJXVJVXQWFMS-WDBKCZKBSA-N 1 0 339.233 3.471 20 5 EGBDRO Cc1cc(Br)cc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001168986851 1384080140 /nfs/dbraw/zinc/08/01/40/1384080140.db2.gz FMZZASNYCUDRAG-FZMZJTMJSA-N 1 0 327.222 3.293 20 5 EGBDRO COc1ccccc1CC1(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCC1 ZINC001168998063 1384082798 /nfs/dbraw/zinc/08/27/98/1384082798.db2.gz HUXWFAVOOXXCDR-DOTOQJQBSA-N 1 0 332.444 3.443 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CCc2ccc(Oc3ccccc3)nc2)C1 ZINC001169006471 1384086352 /nfs/dbraw/zinc/08/63/52/1384086352.db2.gz XWGYNJOHZZWWLI-IRXDYDNUSA-N 1 0 341.411 3.451 20 5 EGBDRO O=C1CC2(CC[NH+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)c2cc(F)ccc21 ZINC001169013987 1384089821 /nfs/dbraw/zinc/08/98/21/1384089821.db2.gz XITONBWWOUPGCU-HIFRSBDPSA-N 1 0 346.402 3.191 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCC(Oc3ccc(F)cc3F)CC2)C1 ZINC001169030312 1384094085 /nfs/dbraw/zinc/09/40/85/1384094085.db2.gz YPBDFXNKOSAKMH-JSGCOSHPSA-N 1 0 340.370 3.253 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@H](n2nc(C3CC[NH2+]CC3)c3ccc(F)cc32)C1 ZINC001169037511 1384096862 /nfs/dbraw/zinc/09/68/62/1384096862.db2.gz RZVUOYQORFYAEG-WFASDCNBSA-N 1 0 346.406 3.260 20 5 EGBDRO Cc1cc(C[N@H+](Cc2ccccc2)[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)on1 ZINC001169039233 1384098168 /nfs/dbraw/zinc/09/81/68/1384098168.db2.gz OMLFFSLHQWHWID-IAGOWNOFSA-N 1 0 329.400 3.431 20 5 EGBDRO Cn1c2ccccc2nc1C1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169039874 1384098500 /nfs/dbraw/zinc/09/85/00/1384098500.db2.gz VECDSYFHLLXFFM-GDBMZVCRSA-N 1 0 342.443 3.198 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2Cc3cnc(-c4ccc(F)cc4)nc3C2)C1 ZINC001169046954 1384100285 /nfs/dbraw/zinc/10/02/85/1384100285.db2.gz PDDQJWBZRAOLNU-LRDDRELGSA-N 1 0 342.374 3.044 20 5 EGBDRO COC(=O)c1ccc([C@H]2CCCC[N@@H+]2[C@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001169048737 1384100490 /nfs/dbraw/zinc/10/04/90/1384100490.db2.gz BFBPADJPWDQOKN-FHLIZLRMSA-N 1 0 346.427 3.446 20 5 EGBDRO C[C@@H]1C[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)[C@H](C)CN1Cc1ccccc1 ZINC001169057909 1384101738 /nfs/dbraw/zinc/10/17/38/1384101738.db2.gz YXIDELSPCXKCLP-RWQQGDIJSA-N 1 0 331.460 3.027 20 5 EGBDRO COc1nc(C)c(N[C@@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)cc1[N+](=O)[O-] ZINC001169143510 1384113244 /nfs/dbraw/zinc/11/32/44/1384113244.db2.gz KGHHWTDAEJVBFX-PXAZEXFGSA-N 1 0 336.436 3.262 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+]CCN(C(C)C)C(C)C)c([N+](=O)[O-])c1 ZINC001170299119 1384285368 /nfs/dbraw/zinc/28/53/68/1384285368.db2.gz QKIJJYHBVZSMBE-HNNXBMFYSA-N 1 0 337.464 3.243 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+]CCCc2ccc(C)nc2)c([N+](=O)[O-])c1 ZINC001170304903 1384287150 /nfs/dbraw/zinc/28/71/50/1384287150.db2.gz HSOWHOLPDANFRP-OAHLLOKOSA-N 1 0 343.427 3.460 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+][C@H](C)c2ccc(F)cn2)c([N+](=O)[O-])c1 ZINC001170307467 1384287274 /nfs/dbraw/zinc/28/72/74/1384287274.db2.gz GEHWQCHXICEISD-VXGBXAGGSA-N 1 0 333.363 3.419 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H]2COc3ccc(F)cc32)c([N+](=O)[O-])c1 ZINC001170311360 1384287975 /nfs/dbraw/zinc/28/79/75/1384287975.db2.gz AYJXHOMWRLJTFB-BDJLRTHQSA-N 1 0 346.358 3.397 20 5 EGBDRO COCc1ccc(C[NH2+][C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC001170321384 1384290551 /nfs/dbraw/zinc/29/05/51/1384290551.db2.gz BEGZXCAXMYEILB-CQSZACIVSA-N 1 0 344.411 3.471 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+][C@H](C)c2cncc(F)c2)c([N+](=O)[O-])c1 ZINC001170327443 1384291873 /nfs/dbraw/zinc/29/18/73/1384291873.db2.gz RABPBCPGIAHNBH-VXGBXAGGSA-N 1 0 333.363 3.419 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+]C2(c3ccc(N)cc3)CC2)c([N+](=O)[O-])c1 ZINC001170329013 1384291877 /nfs/dbraw/zinc/29/18/77/1384291877.db2.gz NAYMKEDBZHWWRJ-ZDUSSCGKSA-N 1 0 341.411 3.396 20 5 EGBDRO COc1ccc(C[C@H](C)N2CCC([NH+]3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC001170327216 1384292078 /nfs/dbraw/zinc/29/20/78/1384292078.db2.gz FXJBJGCKJODXMO-HNNXBMFYSA-N 1 0 347.459 3.095 20 5 EGBDRO COc1ccc(C[C@@H](C)[N@@H+]2CC[C@@]3(C2)CCCCO3)c([N+](=O)[O-])c1 ZINC001170334479 1384293775 /nfs/dbraw/zinc/29/37/75/1384293775.db2.gz FLHHERIGBRYFHS-RDTXWAMCSA-N 1 0 334.416 3.179 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH+]2CCC3(C[C@H]3CCO)CC2)c([N+](=O)[O-])c1 ZINC001170335962 1384294172 /nfs/dbraw/zinc/29/41/72/1384294172.db2.gz SESJWVANIGPGHV-GDBMZVCRSA-N 1 0 348.443 3.019 20 5 EGBDRO COc1ccc(C[C@H](C)N2CC[NH+](C3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC001170342085 1384295221 /nfs/dbraw/zinc/29/52/21/1384295221.db2.gz LVMJCMLNDANPFQ-HNNXBMFYSA-N 1 0 347.459 3.095 20 5 EGBDRO COc1ccc(C[C@@H](C)[N@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3OC)c([N+](=O)[O-])c1 ZINC001170341540 1384295255 /nfs/dbraw/zinc/29/52/55/1384295255.db2.gz KIQGLUYASRUFIO-HAYUQVRISA-N 1 0 348.443 3.281 20 5 EGBDRO CCOCC1CC[NH+]([C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC001170353431 1384299030 /nfs/dbraw/zinc/29/90/30/1384299030.db2.gz YEHOAAQDONFKIB-AWEZNQCLSA-N 1 0 336.432 3.283 20 5 EGBDRO C[C@H]([NH3+])c1ncc(-c2ccccc2)n1-c1ccc2ncc([N+](=O)[O-])n2c1 ZINC001170682093 1384364748 /nfs/dbraw/zinc/36/47/48/1384364748.db2.gz KIJNOTKGAIIKFV-LBPRGKRZSA-N 1 0 348.366 3.115 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@@H](Cc2ccccc2)C[NH+]2CCCC2)nc1 ZINC001170748481 1384377651 /nfs/dbraw/zinc/37/76/51/1384377651.db2.gz GFNMEHRVYTYTEL-INIZCTEOSA-N 1 0 326.400 3.109 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(N[C@@H](Cc2ccccc2)C[NH+]2CCCC2)n1 ZINC001170753015 1384379432 /nfs/dbraw/zinc/37/94/32/1384379432.db2.gz XSQITDBHWLQWNN-KRWDZBQOSA-N 1 0 340.427 3.417 20 5 EGBDRO Cc1cc(N[C@@H](Cc2ccccc2)C[NH+]2CCCC2)ncc1[N+](=O)[O-] ZINC001170754457 1384380691 /nfs/dbraw/zinc/38/06/91/1384380691.db2.gz WOQPQFVGWCGWIC-KRWDZBQOSA-N 1 0 340.427 3.417 20 5 EGBDRO COc1cnc(-n2cc(C[C@@H](C)[NH3+])c3ccc(C)cc32)cc1[N+](=O)[O-] ZINC001171167938 1384459391 /nfs/dbraw/zinc/45/93/91/1384459391.db2.gz RMUREELXGBUTKA-GFCCVEGCSA-N 1 0 340.383 3.140 20 5 EGBDRO C[C@H]1CC[C@H](C(=O)NCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001171661717 1384594289 /nfs/dbraw/zinc/59/42/89/1384594289.db2.gz QOBHMTOABQGXSU-KOMQPUFPSA-N 1 0 333.432 3.017 20 5 EGBDRO COC(=O)CC1CC[NH+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172903639 1384874553 /nfs/dbraw/zinc/87/45/53/1384874553.db2.gz HZZDBRDWVFLHHN-KRWDZBQOSA-N 1 0 346.427 3.117 20 5 EGBDRO C[C@@H]([NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1ncc(F)cn1 ZINC001172903694 1384874973 /nfs/dbraw/zinc/87/49/73/1384874973.db2.gz SPEWYODDBRZSQL-ABAIWWIYSA-N 1 0 330.363 3.122 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CCC[C@@](F)(CO)CC1)CC2 ZINC001172902843 1384875073 /nfs/dbraw/zinc/87/50/73/1384875073.db2.gz CXCNSGMZPHXUNB-AEFFLSMTSA-N 1 0 336.407 3.029 20 5 EGBDRO CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CCc3ccc([N+](=O)[O-])cc3CC1)C2 ZINC001172904519 1384875482 /nfs/dbraw/zinc/87/54/82/1384875482.db2.gz XXEANJBEKCQZNU-CADBVGFASA-N 1 0 343.471 3.447 20 5 EGBDRO O=C(C[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1)Nc1ccccc1 ZINC001172912927 1384876587 /nfs/dbraw/zinc/87/65/87/1384876587.db2.gz RQUFMOWFURHVGC-INIZCTEOSA-N 1 0 339.395 3.071 20 5 EGBDRO C[N@H+]([C@@H]1CCC2(C1)OCCO2)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172914084 1384877047 /nfs/dbraw/zinc/87/70/47/1384877047.db2.gz ZAESDVKIVMAJCO-SJLPKXTDSA-N 1 0 346.427 3.070 20 5 EGBDRO Cc1noc([C@@H]2CCC[N@@H+]2[C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)n1 ZINC001172920948 1384879108 /nfs/dbraw/zinc/87/91/08/1384879108.db2.gz MOORJEJMBQJCRB-RDJZCZTQSA-N 1 0 342.399 3.371 20 5 EGBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH2+]Cc3ccco3)CC2)c(F)c1 ZINC001173007636 1384898125 /nfs/dbraw/zinc/89/81/25/1384898125.db2.gz VUWRVCZEERPCEP-UHFFFAOYSA-N 1 0 337.326 3.225 20 5 EGBDRO CCSCC[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173012091 1384898171 /nfs/dbraw/zinc/89/81/71/1384898171.db2.gz NOKVITMQZLNWET-UHFFFAOYSA-N 1 0 345.415 3.185 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CC[C@H]2CCCCO2)c1F ZINC001173177876 1384932006 /nfs/dbraw/zinc/93/20/06/1384932006.db2.gz YCBDMOZYAVKIIS-CHWSQXEVSA-N 1 0 340.395 3.222 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+](C)Cc2cccnc2)c1F ZINC001173186724 1384933403 /nfs/dbraw/zinc/93/34/03/1384933403.db2.gz SVIRMSBZPRTQIY-LBPRGKRZSA-N 1 0 333.363 3.201 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+](C)CCc2ccccn2)c1F ZINC001173186822 1384933505 /nfs/dbraw/zinc/93/35/05/1384933505.db2.gz VLOBIAYFINBUDA-CYBMUJFWSA-N 1 0 347.390 3.243 20 5 EGBDRO COC(=O)C[C@H]([NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC001173209331 1384936161 /nfs/dbraw/zinc/93/61/61/1384936161.db2.gz BKOZBECDARSLCL-KSSFIOAISA-N 1 0 342.395 3.420 20 5 EGBDRO Cc1cc2c(cc1C[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1)OCCO2 ZINC001173210629 1384936243 /nfs/dbraw/zinc/93/62/43/1384936243.db2.gz MCWJFKRGFORRFK-CQSZACIVSA-N 1 0 342.395 3.395 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC1(NC(=O)OC(C)(C)C)CC1 ZINC001173214673 1384936891 /nfs/dbraw/zinc/93/68/91/1384936891.db2.gz DNGFNQTUHGVLKP-ZDUSSCGKSA-N 1 0 349.431 3.173 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](CO)Cc1ccc(Cl)cc1 ZINC001173214686 1384937182 /nfs/dbraw/zinc/93/71/82/1384937182.db2.gz DTEYJOLGYYPZJA-GUYCJALGSA-N 1 0 348.830 3.372 20 5 EGBDRO CCOC(=O)[C@H]1CCCC[C@H]1[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173218511 1384937491 /nfs/dbraw/zinc/93/74/91/1384937491.db2.gz BOTNBNDRTORFCK-XOKHGSTOSA-N 1 0 334.416 3.237 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CCN1Cc1ccccc1 ZINC001173217797 1384937495 /nfs/dbraw/zinc/93/74/95/1384937495.db2.gz GFGMLXUDCKSIGD-OXJNMPFZSA-N 1 0 339.439 3.390 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCCC[C@H]1C[NH+]1CCCC1 ZINC001173224966 1384939319 /nfs/dbraw/zinc/93/93/19/1384939319.db2.gz ADQQERQNSIYQOH-LPHOPBHVSA-N 1 0 331.460 3.476 20 5 EGBDRO CCc1noc(C2CC[NH+]([C@H](C)Cc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC001173232863 1384941412 /nfs/dbraw/zinc/94/14/12/1384941412.db2.gz INXFNDBCITVPNR-CYBMUJFWSA-N 1 0 344.415 3.351 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCN(c2cccnc2)CC1 ZINC001173233395 1384941724 /nfs/dbraw/zinc/94/17/24/1384941724.db2.gz WFWVLSLRDZUCOH-INIZCTEOSA-N 1 0 340.427 3.133 20 5 EGBDRO CCc1noc([C@@H]2CCC[N@@H+]([C@H](C)Cc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC001173234186 1384942248 /nfs/dbraw/zinc/94/22/48/1384942248.db2.gz PLGMWOYEFZQFAR-UKRRQHHQSA-N 1 0 344.415 3.351 20 5 EGBDRO CCC[N@@H+]1CCCC[C@H]1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC001319245945 1386023758 /nfs/dbraw/zinc/02/37/58/1386023758.db2.gz QCEWMOGGOOBIBV-HNNXBMFYSA-N 1 0 339.823 3.129 20 5 EGBDRO CS[C@@H]1CC[C@H]([N@H+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC001319327419 1386060539 /nfs/dbraw/zinc/06/05/39/1386060539.db2.gz YGNNMAVDSWADAC-GXTWGEPZSA-N 1 0 337.445 3.058 20 5 EGBDRO O=C(NCCCCCC[NH2+]Cc1ccccc1[N+](=O)[O-])C1=CCCC1 ZINC001178184597 1386153053 /nfs/dbraw/zinc/15/30/53/1386153053.db2.gz MWRJLYOUILELTH-UHFFFAOYSA-N 1 0 345.443 3.471 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001320998340 1386779030 /nfs/dbraw/zinc/77/90/30/1386779030.db2.gz BLNAHEUGGXNQOC-HIFRSBDPSA-N 1 0 334.420 3.206 20 5 EGBDRO C[NH+]1CCC(C)(C(=O)Nc2cc3nc4ccccc4nc3cc2N)CC1 ZINC001181988307 1387088477 /nfs/dbraw/zinc/08/84/77/1387088477.db2.gz YNDCLIYAHIWWKC-UHFFFAOYSA-N 1 0 349.438 3.036 20 5 EGBDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1NC ZINC001322223074 1387108601 /nfs/dbraw/zinc/10/86/01/1387108601.db2.gz RQMMYFBCIHCDLS-OAHLLOKOSA-N 1 0 348.447 3.021 20 5 EGBDRO CC[C@H]1C[N@H+](C)CCCN1c1ncnc2c(Cl)cc([N+](=O)[O-])cc21 ZINC001330336902 1389390527 /nfs/dbraw/zinc/39/05/27/1389390527.db2.gz AMIJDEBGVCNEEZ-NSHDSACASA-N 1 0 349.822 3.112 20 5 EGBDRO C[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(Cl)cn1 ZINC001338536315 1389702720 /nfs/dbraw/zinc/70/27/20/1389702720.db2.gz SJSXJAQAXMQTQS-NSHDSACASA-N 1 0 348.790 3.323 20 5 EGBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC001333467755 1390311692 /nfs/dbraw/zinc/31/16/92/1390311692.db2.gz RTFWLUHVKUOQFT-CYBMUJFWSA-N 1 0 337.383 3.246 20 5 EGBDRO [NH3+]C[C@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)C1CCCCCC1 ZINC001340678660 1390342936 /nfs/dbraw/zinc/34/29/36/1390342936.db2.gz NQBGRRDIRGOZHB-SFHVURJKSA-N 1 0 345.443 3.025 20 5 EGBDRO Cc1cc(F)cc(C(=O)N2C[C@@H](CC[NH3+])c3ccccc32)c1[N+](=O)[O-] ZINC001341524540 1390497956 /nfs/dbraw/zinc/49/79/56/1390497956.db2.gz FESAHMMBGVZSKT-GFCCVEGCSA-N 1 0 343.358 3.135 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC001345924755 1390893960 /nfs/dbraw/zinc/89/39/60/1390893960.db2.gz OGDHSAXACLJSNS-DGCLKSJQSA-N 1 0 336.413 3.100 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1-c1noc(C[C@H](C)[C@@H]2CCC[NH2+]C2)n1 ZINC001349330374 1391321318 /nfs/dbraw/zinc/32/13/18/1391321318.db2.gz IOVSFPGWDBNBRH-SMDDNHRTSA-N 1 0 344.415 3.440 20 5 EGBDRO CN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)C1CCCCCC1 ZINC001753174473 1440336501 /nfs/dbraw/zinc/33/65/01/1440336501.db2.gz FQCZOLZJXUZNJL-UHFFFAOYSA-N 1 0 333.432 3.113 20 5 EGBDRO CC/C(C)=C\C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001753580294 1440440085 /nfs/dbraw/zinc/44/00/85/1440440085.db2.gz AKLWYOCDUBNHPV-VABUJUQLSA-N 1 0 345.443 3.468 20 5 EGBDRO O=C(NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCC1)C1=CCCC1 ZINC001753662647 1440459272 /nfs/dbraw/zinc/45/92/72/1440459272.db2.gz HMQFASNGEMXYRB-UHFFFAOYSA-N 1 0 343.427 3.224 20 5 EGBDRO CC(C)(C)C(=O)NCC1(C)CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001754721701 1440673440 /nfs/dbraw/zinc/67/34/40/1440673440.db2.gz XPJPILRSQYLIJD-UHFFFAOYSA-N 1 0 347.459 3.359 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)cc(N2CCCC[C@H]2CC[NH+]2CCCC2)n1 ZINC001165048186 721968759 /nfs/dbraw/zinc/96/87/59/721968759.db2.gz MIHJAMYIELGOMF-AWEZNQCLSA-N 1 0 338.839 3.488 20 5 EGBDRO Cc1cccc(C(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000054260509 214228930 /nfs/dbraw/zinc/22/89/30/214228930.db2.gz PCANEJFNNYVRBH-OKILXGFUSA-N 1 0 347.459 3.390 20 5 EGBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000055400757 214318631 /nfs/dbraw/zinc/31/86/31/214318631.db2.gz XTSAXZMQGWDFGC-VXGBXAGGSA-N 1 0 339.823 3.098 20 5 EGBDRO Cc1nccn1C[C@@H](C)C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000178696307 232386865 /nfs/dbraw/zinc/38/68/65/232386865.db2.gz SFXUOVJFCZTSGK-KBXCAEBGSA-N 1 0 342.443 3.347 20 5 EGBDRO O=[N+]([O-])c1cccc(OCC[NH2+][C@@H](CCCO)c2ccccc2)c1 ZINC000179735672 233379037 /nfs/dbraw/zinc/37/90/37/233379037.db2.gz HMENPSNMXJDVSK-SFHVURJKSA-N 1 0 330.384 3.077 20 5 EGBDRO COc1ccc2oc([C@H](C)[NH2+]CCn3cc([N+](=O)[O-])cn3)c(C)c2c1 ZINC000181442775 234188636 /nfs/dbraw/zinc/18/86/36/234188636.db2.gz IHNPDKUIRXULAI-LBPRGKRZSA-N 1 0 344.371 3.205 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)NC2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000181817674 234336146 /nfs/dbraw/zinc/33/61/46/234336146.db2.gz HYIQMCCBEJBZMZ-CXOJTPOUSA-N 1 0 333.432 3.249 20 5 EGBDRO C[C@@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H](C)c1ccccc1 ZINC000183383951 235038503 /nfs/dbraw/zinc/03/85/03/235038503.db2.gz IDIQTUJGERLHQZ-UXLLHSPISA-N 1 0 344.411 3.116 20 5 EGBDRO CC[C@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CCS1 ZINC000072861970 216320552 /nfs/dbraw/zinc/32/05/52/216320552.db2.gz GWAJCSKNIQCBSB-AWEZNQCLSA-N 1 0 337.445 3.059 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1ccc3c(c1)OCO3)CCC2 ZINC000192593417 239794955 /nfs/dbraw/zinc/79/49/55/239794955.db2.gz LBYVNMIVJDVPRU-INIZCTEOSA-N 1 0 326.352 3.491 20 5 EGBDRO CC(C)[NH+](CCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(C)C ZINC000022623079 212312077 /nfs/dbraw/zinc/31/20/77/212312077.db2.gz JBJFZKNDUQMQFC-UHFFFAOYSA-N 1 0 327.812 3.097 20 5 EGBDRO CC(C)c1ccc([C@@H]([NH3+])CNC(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000236737548 242341960 /nfs/dbraw/zinc/34/19/60/242341960.db2.gz RFEUKWPZBOFKPH-AWEZNQCLSA-N 1 0 333.413 3.210 20 5 EGBDRO C[NH+](C)CCCOc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000110490804 220039925 /nfs/dbraw/zinc/03/99/25/220039925.db2.gz LLLHYGBEWLQFBE-UHFFFAOYSA-N 1 0 343.383 3.178 20 5 EGBDRO CC(C)[N@H+](C)Cc1cccc(CNC(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000110871060 220072055 /nfs/dbraw/zinc/07/20/55/220072055.db2.gz MSPQZAAQJMQFSH-UHFFFAOYSA-N 1 0 347.440 3.427 20 5 EGBDRO COC1CCC([N@H+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000265195520 247286584 /nfs/dbraw/zinc/28/65/84/247286584.db2.gz IFDDCQZBUPQSRW-UHFFFAOYSA-N 1 0 349.431 3.121 20 5 EGBDRO Cc1nc(C[C@H]2CCC[N@@H+]([C@H](C)c3ccccc3[N+](=O)[O-])C2)no1 ZINC000266522377 248343764 /nfs/dbraw/zinc/34/37/64/248343764.db2.gz IVJMWXINGHYIKQ-TZMCWYRMSA-N 1 0 330.388 3.302 20 5 EGBDRO CCCC(=O)NC[C@@H]1CCC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000266560137 248360426 /nfs/dbraw/zinc/36/04/26/248360426.db2.gz XCUCQNCBTNREOB-CABCVRRESA-N 1 0 333.432 3.284 20 5 EGBDRO COc1ccc(OCC[N@H+](C)[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000091703902 218050822 /nfs/dbraw/zinc/05/08/22/218050822.db2.gz WJIIVYFVVXYYDR-ZDUSSCGKSA-N 1 0 331.372 3.070 20 5 EGBDRO C[N@@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C[C@H]1CCC[C@@H]1O ZINC000091898731 218085590 /nfs/dbraw/zinc/08/55/90/218085590.db2.gz MKKNKHPPZJYPAK-CJNGLKHVSA-N 1 0 347.440 3.311 20 5 EGBDRO CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000092101077 218119585 /nfs/dbraw/zinc/11/95/85/218119585.db2.gz GBCCZYLLJGGVNQ-INIZCTEOSA-N 1 0 333.432 3.018 20 5 EGBDRO COc1ccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000267414373 251037583 /nfs/dbraw/zinc/03/75/83/251037583.db2.gz IZNFFEKUKCVFKL-NSHDSACASA-N 1 0 331.328 3.362 20 5 EGBDRO C[N@@H+]1CCCC[C@@H]1CCN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000268540925 252007149 /nfs/dbraw/zinc/00/71/49/252007149.db2.gz KWRLTHKBTWWYKK-MRXNPFEDSA-N 1 0 347.459 3.312 20 5 EGBDRO Cc1c([C@@H](C)[NH2+]CC2(N3CCCC3)CCOCC2)cccc1[N+](=O)[O-] ZINC000268838852 252287878 /nfs/dbraw/zinc/28/78/78/252287878.db2.gz CBHHCGPCQCRFPA-MRXNPFEDSA-N 1 0 347.459 3.199 20 5 EGBDRO Cc1ccc([C@@H](C)NCC2([NH+]3CCCC3)CCOCC2)cc1[N+](=O)[O-] ZINC000268870827 252318907 /nfs/dbraw/zinc/31/89/07/252318907.db2.gz KBQOVYCBFXQULO-MRXNPFEDSA-N 1 0 347.459 3.199 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000376397350 291824258 /nfs/dbraw/zinc/82/42/58/291824258.db2.gz RESBUESZTWFZMW-GOEBONIOSA-N 1 0 345.443 3.219 20 5 EGBDRO CC(C)(C(=O)Nc1ccc2c(c1)C[NH2+]CC2)c1ccc([N+](=O)[O-])cc1 ZINC000269244861 255551800 /nfs/dbraw/zinc/55/18/00/255551800.db2.gz ZFOCQPACUDUGGG-UHFFFAOYSA-N 1 0 339.395 3.157 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCS[C@H](C)[C@@H]1C ZINC000118414572 221147898 /nfs/dbraw/zinc/14/78/98/221147898.db2.gz QJGTYLWBSYQZGM-QWHCGFSZSA-N 1 0 337.445 3.058 20 5 EGBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)[C@H](c1ccccc1)[NH+](C)C ZINC000187168264 533299516 /nfs/dbraw/zinc/29/95/16/533299516.db2.gz DTJOLRVGDKVWFG-CXAGYDPISA-N 1 0 327.384 3.016 20 5 EGBDRO C[C@@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@H](C)c1ccccc1 ZINC000181526459 533344295 /nfs/dbraw/zinc/34/42/95/533344295.db2.gz SXAVMVCGYCEQJA-LSDHHAIUSA-N 1 0 341.411 3.339 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cccc(-n2cncn2)c1 ZINC000344820154 533384560 /nfs/dbraw/zinc/38/45/60/533384560.db2.gz GWZMEGZPUHUKEI-NVNXTCNLSA-N 1 0 349.394 3.369 20 5 EGBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000178640672 533502777 /nfs/dbraw/zinc/50/27/77/533502777.db2.gz FMLCYNAGUJYOGS-OLZOCXBDSA-N 1 0 348.424 3.410 20 5 EGBDRO C[C@@H]([NH2+]C[C@H]1CCN(CC(F)(F)F)C1)c1cccc([N+](=O)[O-])c1 ZINC000124244321 140918126 /nfs/dbraw/zinc/91/81/26/140918126.db2.gz DSVCGWZHLXSSRR-VXGBXAGGSA-N 1 0 331.338 3.130 20 5 EGBDRO CCCN(CC[NH+]1CCCCCC1)C(=O)c1ccccc1[N+](=O)[O-] ZINC000346250631 141185964 /nfs/dbraw/zinc/18/59/64/141185964.db2.gz IFDDGWHLZMDESU-UHFFFAOYSA-N 1 0 333.432 3.323 20 5 EGBDRO Cc1nccn1-c1ccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cn1 ZINC000173334973 144039829 /nfs/dbraw/zinc/03/98/29/144039829.db2.gz ZXJIOWYUYNLYNJ-ZDUSSCGKSA-N 1 0 337.383 3.335 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCC4(CCCC4)C3)n2)cc1 ZINC000173830733 144049323 /nfs/dbraw/zinc/04/93/23/144049323.db2.gz IVMKMJVZFMGRAK-UHFFFAOYSA-N 1 0 328.372 3.411 20 5 EGBDRO C[C@@H]([NH2+][C@H]1CC(=O)N(c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000178651021 144073861 /nfs/dbraw/zinc/07/38/61/144073861.db2.gz BIVKTKVCJXHFNZ-HIFRSBDPSA-N 1 0 325.368 3.051 20 5 EGBDRO COc1cc(C[N@H+](C[C@H](C)O)C2CCCCC2)c([N+](=O)[O-])cc1F ZINC000184201043 144088906 /nfs/dbraw/zinc/08/89/06/144088906.db2.gz YUNQGUWEAMRXQQ-LBPRGKRZSA-N 1 0 340.395 3.258 20 5 EGBDRO C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H]1COc2ccccc21 ZINC000185578608 144115166 /nfs/dbraw/zinc/11/51/66/144115166.db2.gz COPJJTXLFCLKLY-RISCZKNCSA-N 1 0 339.351 3.390 20 5 EGBDRO C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1cc(Cl)ccc1Cl ZINC000186761791 144142923 /nfs/dbraw/zinc/14/29/23/144142923.db2.gz IYFVPBOMXBYTOX-VIFPVBQESA-N 1 0 329.187 3.449 20 5 EGBDRO COc1cc(C[NH2+]CC2(OC)CCCCC2)c([N+](=O)[O-])cc1OC ZINC000187450632 144159183 /nfs/dbraw/zinc/15/91/83/144159183.db2.gz QLTLLDSAWZLTCW-UHFFFAOYSA-N 1 0 338.404 3.051 20 5 EGBDRO O=[N+]([O-])c1ccccc1OCC[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000192362803 144173713 /nfs/dbraw/zinc/17/37/13/144173713.db2.gz PACMALPKAUNPRB-HNNXBMFYSA-N 1 0 328.368 3.346 20 5 EGBDRO CCOC(=O)C[C@](C)([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)C(C)C ZINC000351813733 144309838 /nfs/dbraw/zinc/30/98/38/144309838.db2.gz IHJDQCZDECAGFL-INIZCTEOSA-N 1 0 344.358 3.331 20 5 EGBDRO O=[N+]([O-])c1ccc(OCC[N@H+]2Cc3ccc(O)cc3C3(CC3)C2)cc1 ZINC000361571046 144330154 /nfs/dbraw/zinc/33/01/54/144330154.db2.gz ZLFKVGMKLNPPGB-UHFFFAOYSA-N 1 0 340.379 3.227 20 5 EGBDRO NC(=O)c1ccc(C[NH2+][C@@H]2CCCCC23CCCC3)c([N+](=O)[O-])c1 ZINC000361590774 144333311 /nfs/dbraw/zinc/33/33/11/144333311.db2.gz KBGOSSCXMASOIB-MRXNPFEDSA-N 1 0 331.416 3.286 20 5 EGBDRO COCC1(CC[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCC1 ZINC000340442548 292230082 /nfs/dbraw/zinc/23/00/82/292230082.db2.gz AYQGDBRNXAVMBH-GJZGRUSLSA-N 1 0 336.436 3.071 20 5 EGBDRO C[C@H]1CCC[C@H](C)[NH+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000117339093 152093848 /nfs/dbraw/zinc/09/38/48/152093848.db2.gz HOODXDCXBUPSGM-STQMWFEESA-N 1 0 333.388 3.156 20 5 EGBDRO C[N@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C1CCCCC1 ZINC000117333274 152094013 /nfs/dbraw/zinc/09/40/13/152094013.db2.gz KZCDLYOSRZOUEU-UHFFFAOYSA-N 1 0 333.388 3.157 20 5 EGBDRO C[C@H]1CCC[C@@H]([N@H+](C)CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000117335282 152094696 /nfs/dbraw/zinc/09/46/96/152094696.db2.gz WUEWNWJBQZWVGH-UONOGXRCSA-N 1 0 347.415 3.403 20 5 EGBDRO C[C@@H](c1cccc(F)c1)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000118865901 152158912 /nfs/dbraw/zinc/15/89/12/152158912.db2.gz JNSVTQYOFWDMGD-WFASDCNBSA-N 1 0 330.363 3.376 20 5 EGBDRO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(NC(N)=O)cc1 ZINC000192846964 153263609 /nfs/dbraw/zinc/26/36/09/153263609.db2.gz IOUXEQLDOVKNBN-VXGBXAGGSA-N 1 0 328.372 3.497 20 5 EGBDRO CC[C@H]([NH2+]CCNC(=O)c1ccc(C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000193911319 153312952 /nfs/dbraw/zinc/31/29/52/153312952.db2.gz USCOMIOTUQHDGE-SFHVURJKSA-N 1 0 341.411 3.374 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000194793290 153358739 /nfs/dbraw/zinc/35/87/39/153358739.db2.gz ATJCUMUOFZFQII-UHFFFAOYSA-N 1 0 345.443 3.430 20 5 EGBDRO C[C@H](O)CC[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000304107584 154067152 /nfs/dbraw/zinc/06/71/52/154067152.db2.gz DDYKGYBVIFDKLQ-LBPRGKRZSA-N 1 0 334.347 3.387 20 5 EGBDRO CC(C)(C)CCC[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000339736167 154949956 /nfs/dbraw/zinc/94/99/56/154949956.db2.gz CDJCKOBMKBUITF-UHFFFAOYSA-N 1 0 333.432 3.179 20 5 EGBDRO Cn1c(C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)ccc1[N+](=O)[O-] ZINC000345484769 156125888 /nfs/dbraw/zinc/12/58/88/156125888.db2.gz IBGCDISJNUQMGR-UHFFFAOYSA-N 1 0 342.399 3.172 20 5 EGBDRO [NH3+]CCN(Cc1cnc(C2CCC2)s1)c1ccccc1[N+](=O)[O-] ZINC000348897623 156279187 /nfs/dbraw/zinc/27/91/87/156279187.db2.gz WFLOVSCJPYTKRZ-UHFFFAOYSA-N 1 0 332.429 3.284 20 5 EGBDRO [NH3+]CCN(Cc1ccc(OCC2CC2)cc1)c1ccccc1[N+](=O)[O-] ZINC000348921484 156288095 /nfs/dbraw/zinc/28/80/95/156288095.db2.gz NELMXFUTQKDILH-UHFFFAOYSA-N 1 0 341.411 3.349 20 5 EGBDRO COc1cccc([C@H](CNc2nc(C)ccc2[N+](=O)[O-])[NH+](C)C)c1 ZINC000128902575 162340258 /nfs/dbraw/zinc/34/02/58/162340258.db2.gz MMLNASRTZKZGND-INIZCTEOSA-N 1 0 330.388 3.022 20 5 EGBDRO O=[N+]([O-])c1ccc(C[N@@H+](C[C@H](O)Cc2ccccc2)C2CC2)cc1 ZINC000130492922 162370037 /nfs/dbraw/zinc/37/00/37/162370037.db2.gz XOTDQAHQQXGFMQ-LJQANCHMSA-N 1 0 326.396 3.163 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@H]3CCC[C@@H](O)C3)cs2)c1 ZINC000304261734 163067862 /nfs/dbraw/zinc/06/78/62/163067862.db2.gz BZGLAMBLIGNRCI-BLLLJJGKSA-N 1 0 347.440 3.359 20 5 EGBDRO CC[N@@H+]1CC[C@H](N(C)c2ccc([N+](=O)[O-])c3cnccc32)C[C@H]1C ZINC000354354868 166008295 /nfs/dbraw/zinc/00/82/95/166008295.db2.gz RPLGRVQEODOWLM-KGLIPLIRSA-N 1 0 328.416 3.452 20 5 EGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@H]2COc3ccccc32)n1 ZINC000343931900 164069006 /nfs/dbraw/zinc/06/90/06/164069006.db2.gz MYTBMXADOLKRAK-CWRNSKLLSA-N 1 0 342.399 3.041 20 5 EGBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 ZINC000344090340 164100760 /nfs/dbraw/zinc/10/07/60/164100760.db2.gz MHFKOQNBPVMDQW-CYBMUJFWSA-N 1 0 328.368 3.259 20 5 EGBDRO CCO[C@@H]1C[C@H]([NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])C1(CC)CC ZINC000344109518 164104849 /nfs/dbraw/zinc/10/48/49/164104849.db2.gz SKPYEWDTAAKLNO-JKSUJKDBSA-N 1 0 349.431 3.107 20 5 EGBDRO Cc1cccc(C[N@@H+](C)[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c1 ZINC000344414060 164173704 /nfs/dbraw/zinc/17/37/04/164173704.db2.gz ZAIILJQQTDHAOF-SFHVURJKSA-N 1 0 339.395 3.141 20 5 EGBDRO Cc1cccc(C[N@@H+](C)[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c1 ZINC000344414057 164173720 /nfs/dbraw/zinc/17/37/20/164173720.db2.gz ZAIILJQQTDHAOF-GOSISDBHSA-N 1 0 339.395 3.141 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1CN1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000344604693 164198916 /nfs/dbraw/zinc/19/89/16/164198916.db2.gz UBWCDQGHHIWPDU-RKVPGOIHSA-N 1 0 347.459 3.441 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C2CCC(CO)CC2)o1 ZINC000345536017 164212623 /nfs/dbraw/zinc/21/26/23/164212623.db2.gz YIEJOULNGHRHBC-UHFFFAOYSA-N 1 0 330.384 3.496 20 5 EGBDRO COc1cc(C[N@@H+]2CCC[C@@H](c3nccs3)C2)ccc1[N+](=O)[O-] ZINC000352407550 165384665 /nfs/dbraw/zinc/38/46/65/165384665.db2.gz VGRJJDBFNKLPAG-CYBMUJFWSA-N 1 0 333.413 3.440 20 5 EGBDRO CCOC(=O)C[C@](C)([NH2+]Cc1ccc([N+](=O)[O-])cc1F)C(C)C ZINC000359374094 167139941 /nfs/dbraw/zinc/13/99/41/167139941.db2.gz BLEDVNGHKVRMIV-INIZCTEOSA-N 1 0 326.368 3.191 20 5 EGBDRO CCC(=O)c1ccc(NCCCN2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000359452608 167159877 /nfs/dbraw/zinc/15/98/77/167159877.db2.gz AXXCMOVXEUHZGL-OKILXGFUSA-N 1 0 349.431 3.099 20 5 EGBDRO CC[C@H](C)[NH2+][C@@H](CNC(=O)c1csc([N+](=O)[O-])c1)c1ccco1 ZINC000359547723 167187968 /nfs/dbraw/zinc/18/79/68/167187968.db2.gz SLVWGKFWUHBCOB-JQWIXIFHSA-N 1 0 337.401 3.109 20 5 EGBDRO CC[C@H](C)[NH2+][C@H](CNC(=O)c1cc(C)ccc1[N+](=O)[O-])c1ccco1 ZINC000359567269 167196153 /nfs/dbraw/zinc/19/61/53/167196153.db2.gz WTYIFLSFVUJBKK-DZGCQCFKSA-N 1 0 345.399 3.355 20 5 EGBDRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)c1cc(C)cc([N+](=O)[O-])c1)c1ccco1 ZINC000359567016 167196537 /nfs/dbraw/zinc/19/65/37/167196537.db2.gz WGGRWWJJDMHFFG-CJNGLKHVSA-N 1 0 345.399 3.355 20 5 EGBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000359767011 167227406 /nfs/dbraw/zinc/22/74/06/167227406.db2.gz VFRXYBWFUSBQAQ-ZDUSSCGKSA-N 1 0 348.447 3.019 20 5 EGBDRO Cc1cc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)ccc1-n1cncn1 ZINC000359794283 167234484 /nfs/dbraw/zinc/23/44/84/167234484.db2.gz HHYWVMSVDUCGHC-UHFFFAOYSA-N 1 0 337.383 3.082 20 5 EGBDRO CC[N@H+](C)[C@@H](C(=O)NCc1cccc([N+](=O)[O-])c1C)c1ccccc1 ZINC000360514007 167346093 /nfs/dbraw/zinc/34/60/93/167346093.db2.gz FFUWVGIPLRUKTO-GOSISDBHSA-N 1 0 341.411 3.212 20 5 EGBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000361075422 167511568 /nfs/dbraw/zinc/51/15/68/167511568.db2.gz UGGBWHJVMKNVIE-UHFFFAOYSA-N 1 0 349.479 3.212 20 5 EGBDRO CCOc1cc(CN2CCC[C@H]([NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000365188809 168033214 /nfs/dbraw/zinc/03/32/14/168033214.db2.gz GOYHTKUDYCAZJM-INIZCTEOSA-N 1 0 333.432 3.054 20 5 EGBDRO Cc1cc(NC(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000157277810 224799240 /nfs/dbraw/zinc/79/92/40/224799240.db2.gz FXHNIMIJNPHSFN-HNNXBMFYSA-N 1 0 346.431 3.243 20 5 EGBDRO C[C@@](O)(C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccsc1 ZINC000159890130 225296464 /nfs/dbraw/zinc/29/64/64/225296464.db2.gz YHGOSRBDRNFDTE-SJLPKXTDSA-N 1 0 346.452 3.475 20 5 EGBDRO C[C@](O)(C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccsc1 ZINC000159889998 225297546 /nfs/dbraw/zinc/29/75/46/225297546.db2.gz YHGOSRBDRNFDTE-WMZOPIPTSA-N 1 0 346.452 3.475 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000163082766 264916076 /nfs/dbraw/zinc/91/60/76/264916076.db2.gz IAGBVZVVYOIKMO-CYBMUJFWSA-N 1 0 334.420 3.147 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@@H](C)C1CCCCC1 ZINC000174142939 265028002 /nfs/dbraw/zinc/02/80/02/265028002.db2.gz RJVBBVQFJKABOT-QWHCGFSZSA-N 1 0 349.431 3.489 20 5 EGBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC(CCc3ccccc3)CC2)n1 ZINC000176200892 265162970 /nfs/dbraw/zinc/16/29/70/265162970.db2.gz WZYGEZGDSQTZFC-UHFFFAOYSA-N 1 0 328.416 3.136 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3C[C@@H]4CCCC[C@@H]4C3)n2)c1 ZINC000177556682 265262576 /nfs/dbraw/zinc/26/25/76/265262576.db2.gz DARLHSLCVIRJLE-OKILXGFUSA-N 1 0 328.372 3.267 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]CC1(CO)CCCC1 ZINC000186483162 265533855 /nfs/dbraw/zinc/53/38/55/265533855.db2.gz ROACNMLUXRTYKU-DOTOQJQBSA-N 1 0 332.444 3.448 20 5 EGBDRO COC(=O)[C@H]1CC[C@@H]([NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000193872957 266070247 /nfs/dbraw/zinc/07/02/47/266070247.db2.gz XYFJULIHEZIRID-XLNGHYISSA-N 1 0 346.427 3.237 20 5 EGBDRO C[C@@H](CC[NH2+]Cc1csc([N+](=O)[O-])c1)NC(=O)OC(C)(C)C ZINC000222082184 266196558 /nfs/dbraw/zinc/19/65/58/266196558.db2.gz WQHIUAJOFCGTHP-JTQLQIEISA-N 1 0 329.422 3.049 20 5 EGBDRO CC(C)OCC[NH+]1CCC(Nc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000267058795 266280267 /nfs/dbraw/zinc/28/02/67/266280267.db2.gz OTDOLFSSAZONTO-UHFFFAOYSA-N 1 0 325.384 3.035 20 5 EGBDRO COc1ccc(C)cc1[C@H](C)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269675840 266340000 /nfs/dbraw/zinc/34/00/00/266340000.db2.gz CCJPDZJAIZKFEP-GUYCJALGSA-N 1 0 330.384 3.296 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCC(c3ccc(O)cc3)CC2)c1 ZINC000269695902 266342615 /nfs/dbraw/zinc/34/26/15/266342615.db2.gz WSNYPHSCIDZVKZ-IBGZPJMESA-N 1 0 342.395 3.213 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC(CCC[NH+](C)C)CC2)c1 ZINC000270948714 266579669 /nfs/dbraw/zinc/57/96/69/266579669.db2.gz LADJURPCOOWEQR-UHFFFAOYSA-N 1 0 333.432 3.097 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000271230891 266626529 /nfs/dbraw/zinc/62/65/29/266626529.db2.gz FSLQEZIQHZCCIA-INIZCTEOSA-N 1 0 345.443 3.220 20 5 EGBDRO C[C@H](Nc1ccc([N+](=O)[O-])cn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272340595 266821338 /nfs/dbraw/zinc/82/13/38/266821338.db2.gz WXBZPYZLJOGNCO-GOEBONIOSA-N 1 0 326.400 3.312 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000273276412 267011218 /nfs/dbraw/zinc/01/12/18/267011218.db2.gz XMKGGQSICJZACT-SFHVURJKSA-N 1 0 341.411 3.082 20 5 EGBDRO C[NH+](C)[C@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000277497909 267804735 /nfs/dbraw/zinc/80/47/35/267804735.db2.gz NTYLKCXAUNDOSP-ZDUSSCGKSA-N 1 0 343.374 3.112 20 5 EGBDRO CC(C)[NH+]1CCC(Nc2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000278425465 268010017 /nfs/dbraw/zinc/01/00/17/268010017.db2.gz PECGWQDPKYMZQM-UHFFFAOYSA-N 1 0 332.326 3.293 20 5 EGBDRO C[C@H](CNc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-])[NH+](C)C ZINC000278468663 268019955 /nfs/dbraw/zinc/01/99/55/268019955.db2.gz NKSNFWHTNGOBCQ-SSDOTTSWSA-N 1 0 342.268 3.006 20 5 EGBDRO C[C@@H](CNc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-])[NH+](C)C ZINC000278468666 268020206 /nfs/dbraw/zinc/02/02/06/268020206.db2.gz NKSNFWHTNGOBCQ-ZETCQYMHSA-N 1 0 342.268 3.006 20 5 EGBDRO C[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@H](C)[NH+]1C ZINC000339615572 274586790 /nfs/dbraw/zinc/58/67/90/274586790.db2.gz KGJJAPSDTHEBHH-QWRGUYRKSA-N 1 0 331.338 3.138 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1cccc3c1OCO3)CCC2 ZINC000192713192 275038458 /nfs/dbraw/zinc/03/84/58/275038458.db2.gz RKPSPSSGXBZJTG-MRXNPFEDSA-N 1 0 326.352 3.491 20 5 EGBDRO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@@]1(CO)Cc1ccccc1 ZINC000355741563 275039366 /nfs/dbraw/zinc/03/93/66/275039366.db2.gz ZULSMEHLRPVXHV-IBGZPJMESA-N 1 0 344.386 3.304 20 5 EGBDRO C[C@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)C[NH+]1CCCC1 ZINC000047919956 275144016 /nfs/dbraw/zinc/14/40/16/275144016.db2.gz WEKUITCTEGASHW-GFCCVEGCSA-N 1 0 347.440 3.271 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@@H](C)c1ccco1 ZINC000069070441 275150890 /nfs/dbraw/zinc/15/08/90/275150890.db2.gz BCXOWJSRQIIBFR-LBPRGKRZSA-N 1 0 347.371 3.218 20 5 EGBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000181261166 275205966 /nfs/dbraw/zinc/20/59/66/275205966.db2.gz GWZSKGBGBNGGJB-WFASDCNBSA-N 1 0 349.431 3.248 20 5 EGBDRO C[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000181539569 275207821 /nfs/dbraw/zinc/20/78/21/275207821.db2.gz ZAKOGDBLLRXUNA-MPGHIAIKSA-N 1 0 344.411 3.116 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)ccc1NCC1([NH+]2CCCC2)CCOCC1 ZINC000264245921 275233681 /nfs/dbraw/zinc/23/36/81/275233681.db2.gz KHFUSRYFNPYLQF-UHFFFAOYSA-N 1 0 339.823 3.305 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCSCC[C@H]1C ZINC000279367982 275325818 /nfs/dbraw/zinc/32/58/18/275325818.db2.gz WWDZZRYRIOKWPI-CYBMUJFWSA-N 1 0 337.445 3.059 20 5 EGBDRO CCC[C@@H]([NH2+]Cc1ccc(C)n(C)c1=O)c1cccc([N+](=O)[O-])c1 ZINC000279508549 275336051 /nfs/dbraw/zinc/33/60/51/275336051.db2.gz NIHURCJBOLYBNL-QGZVFWFLSA-N 1 0 329.400 3.233 20 5 EGBDRO CC1(C)CC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CCS1 ZINC000279645994 275346458 /nfs/dbraw/zinc/34/64/58/275346458.db2.gz AUSHCGWURGGTMD-UHFFFAOYSA-N 1 0 348.428 3.362 20 5 EGBDRO CCC(=O)c1ccc(NC2CC[NH+](CCCOC)CC2)c([N+](=O)[O-])c1 ZINC000280735243 275489150 /nfs/dbraw/zinc/48/91/50/275489150.db2.gz NRYQJXTYTQLHIG-UHFFFAOYSA-N 1 0 349.431 3.100 20 5 EGBDRO CC(C)(C)[S@](=O)CC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000127223816 275534183 /nfs/dbraw/zinc/53/41/83/275534183.db2.gz MAXOYDFTJMWPFU-WNSKOXEYSA-N 1 0 338.473 3.053 20 5 EGBDRO COCCOc1ccccc1C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283998508 275766830 /nfs/dbraw/zinc/76/68/30/275766830.db2.gz HSLNLAJFPWUMRY-ZDUSSCGKSA-N 1 0 345.399 3.053 20 5 EGBDRO C[NH+](C)CCCC1CCN(c2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000286620330 276024141 /nfs/dbraw/zinc/02/41/41/276024141.db2.gz VWNZXJAQKASWJD-UHFFFAOYSA-N 1 0 349.460 3.158 20 5 EGBDRO CCCN(CC[NH+]1CCCC1)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000287300272 276105677 /nfs/dbraw/zinc/10/56/77/276105677.db2.gz LJGZZJWCVRRSOC-UHFFFAOYSA-N 1 0 339.823 3.196 20 5 EGBDRO CC[NH+](CC)[C@@H](CNC(=O)c1c(C)cccc1[N+](=O)[O-])c1ccco1 ZINC000194494534 276113689 /nfs/dbraw/zinc/11/36/89/276113689.db2.gz SDMNYFXYCZZABB-HNNXBMFYSA-N 1 0 345.399 3.309 20 5 EGBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1ccc(N)cc1[N+](=O)[O-] ZINC000288180037 276188895 /nfs/dbraw/zinc/18/88/95/276188895.db2.gz BNFGZTCJRUJRDG-WMLDXEAASA-N 1 0 340.427 3.500 20 5 EGBDRO CCC[C@@]1(CO)CCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000289098443 276290418 /nfs/dbraw/zinc/29/04/18/276290418.db2.gz PHHREEQTUHEYDT-GOSISDBHSA-N 1 0 329.400 3.440 20 5 EGBDRO C[C@H]([NH2+]C[C@]1(CO)C[C@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000289600427 276364392 /nfs/dbraw/zinc/36/43/92/276364392.db2.gz CPPUFKQHUUMCAM-JVPBZIDWSA-N 1 0 326.396 3.412 20 5 EGBDRO CC(C)([NH2+]CCOCC(F)(F)C(F)F)c1ccccc1[N+](=O)[O-] ZINC000292221090 276751710 /nfs/dbraw/zinc/75/17/10/276751710.db2.gz VAPIJKOVHQCRQY-UHFFFAOYSA-N 1 0 338.301 3.337 20 5 EGBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000344610547 277041349 /nfs/dbraw/zinc/04/13/49/277041349.db2.gz HNBMIUQCFWIQKX-CYBMUJFWSA-N 1 0 339.823 3.098 20 5 EGBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2c2ccc([N+](=O)[O-])c3cnccc32)C1 ZINC000269083549 277156338 /nfs/dbraw/zinc/15/63/38/277156338.db2.gz GHSXKWNXUVFXLV-XJKSGUPXSA-N 1 0 326.400 3.064 20 5 EGBDRO C[C@@H]([NH2+]C1CCN(c2ccccn2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000121349135 278336187 /nfs/dbraw/zinc/33/61/87/278336187.db2.gz AATRVLNQIUTLEY-CQSZACIVSA-N 1 0 326.400 3.309 20 5 EGBDRO Cc1ccnc(N2CCC(CCC[NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000129673389 278984002 /nfs/dbraw/zinc/98/40/02/278984002.db2.gz KMIZPALEEOXCQT-UHFFFAOYSA-N 1 0 332.448 3.391 20 5 EGBDRO Cc1c2ccccc2oc1[C@H](C)[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000183630049 280274298 /nfs/dbraw/zinc/27/42/98/280274298.db2.gz PXIBWHHSIPHRAC-ZDUSSCGKSA-N 1 0 341.367 3.162 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]([NH3+])c2ccc(C(C)C)cc2)c1 ZINC000151968140 281008554 /nfs/dbraw/zinc/00/85/54/281008554.db2.gz BQDNUESHCXYROY-KRWDZBQOSA-N 1 0 341.411 3.456 20 5 EGBDRO Cc1cccc(C(=O)NC[C@H]([NH3+])c2ccc(C(C)C)cc2)c1[N+](=O)[O-] ZINC000151948455 281193947 /nfs/dbraw/zinc/19/39/47/281193947.db2.gz SHHABAFMYSJFDV-KRWDZBQOSA-N 1 0 341.411 3.456 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000237232753 295140272 /nfs/dbraw/zinc/14/02/72/295140272.db2.gz OAGQPBPKERNOTQ-AWEZNQCLSA-N 1 0 344.411 3.375 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](CC(C)C)C1 ZINC000072491999 307379386 /nfs/dbraw/zinc/37/93/86/307379386.db2.gz RASFQDWDCCWDEZ-AWEZNQCLSA-N 1 0 349.431 3.300 20 5 EGBDRO CCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])CC1CC1 ZINC000072950220 307383259 /nfs/dbraw/zinc/38/32/59/307383259.db2.gz XTWFHWPVRSEIRP-UHFFFAOYSA-N 1 0 325.796 3.309 20 5 EGBDRO CCC[NH+](CCC)CCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000076225546 307404859 /nfs/dbraw/zinc/40/48/59/307404859.db2.gz SBNYTCGSPVCPBG-UHFFFAOYSA-N 1 0 341.839 3.490 20 5 EGBDRO COC(=O)[C@H](C)[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000079922435 307430039 /nfs/dbraw/zinc/43/00/39/307430039.db2.gz KOYWDGQLCJIVLU-DYVFJYSZSA-N 1 0 328.368 3.235 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1ccc(NC(N)=O)cc1 ZINC000130927450 307636227 /nfs/dbraw/zinc/63/62/27/307636227.db2.gz ZGWHHSRYOLFRGA-GFCCVEGCSA-N 1 0 328.372 3.245 20 5 EGBDRO C[C@@H]([NH2+]C[C@@H]1CNC(=O)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000414205023 309066665 /nfs/dbraw/zinc/06/66/65/309066665.db2.gz WYRIMUCKUGNKQN-VXGBXAGGSA-N 1 0 345.424 3.110 20 5 EGBDRO CC(C)(C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)OCC1CC1 ZINC000414252193 309068895 /nfs/dbraw/zinc/06/88/95/309068895.db2.gz CPEBZNVSIAVAKS-HUUCEWRRSA-N 1 0 336.436 3.070 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@@H](O)C1CCCCC1)C1CC1 ZINC000163081799 307919520 /nfs/dbraw/zinc/91/95/20/307919520.db2.gz BDYHMUASBUPNEO-IEBWSBKVSA-N 1 0 332.444 3.447 20 5 EGBDRO C[C@@H]1C[C@@H]1[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc(Cl)cc1 ZINC000245919232 307961782 /nfs/dbraw/zinc/96/17/82/307961782.db2.gz QMGKGEUYTXNJTF-WPGHFRTFSA-N 1 0 334.807 3.432 20 5 EGBDRO COc1ccc(NC(=O)CC[NH2+][C@@H]2CCC[C@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000249300227 308022149 /nfs/dbraw/zinc/02/21/49/308022149.db2.gz DDNVMJRNQQWVQV-KCQAQPDRSA-N 1 0 349.431 3.346 20 5 EGBDRO C[NH+](C)[C@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000293019604 308090806 /nfs/dbraw/zinc/09/08/06/308090806.db2.gz IDUIPBYLCMMWAU-ZDUSSCGKSA-N 1 0 331.338 3.140 20 5 EGBDRO Cn1ccnc1[C@@H]([NH2+]CC1CC(F)(F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000293893469 308171716 /nfs/dbraw/zinc/17/17/16/308171716.db2.gz ZGCMQVZMWDOCBP-AWEZNQCLSA-N 1 0 336.342 3.053 20 5 EGBDRO CC[NH+](CC)CCCNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000294537362 308229981 /nfs/dbraw/zinc/22/99/81/308229981.db2.gz ZVGAGCSVHNFEPY-UHFFFAOYSA-N 1 0 347.337 3.075 20 5 EGBDRO COc1cc(C[NH2+]CC(C)(C)c2cccnc2)c([N+](=O)[O-])cc1OC ZINC000414553948 309088558 /nfs/dbraw/zinc/08/85/58/309088558.db2.gz GOOBGVNFMUVZBZ-UHFFFAOYSA-N 1 0 345.399 3.074 20 5 EGBDRO COC(=O)[C@@]1(C)CCC[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000414560799 309089490 /nfs/dbraw/zinc/08/94/90/309089490.db2.gz RDXMCURDVZZSQP-MDNBWPLSSA-N 1 0 332.400 3.273 20 5 EGBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)C1 ZINC000295085317 308289537 /nfs/dbraw/zinc/28/95/37/308289537.db2.gz WCBPSPFXLYZYSE-GFCCVEGCSA-N 1 0 339.823 3.113 20 5 EGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@H](O)Cc1cccc(F)c1 ZINC000295159507 308297968 /nfs/dbraw/zinc/29/79/68/308297968.db2.gz SADUKINJUSUZRW-OAHLLOKOSA-N 1 0 338.766 3.081 20 5 EGBDRO O=[N+]([O-])c1cc(CN2CCC[NH2+]CC2)ccc1Oc1ccc(F)cc1 ZINC000414648729 309093565 /nfs/dbraw/zinc/09/35/65/309093565.db2.gz BIRMBXWZCXCKRS-UHFFFAOYSA-N 1 0 345.374 3.322 20 5 EGBDRO CCC[C@@H]1C[NH2+]CCN1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000414662481 309094460 /nfs/dbraw/zinc/09/44/60/309094460.db2.gz QMELPDRXEWKEFF-MRXNPFEDSA-N 1 0 346.456 3.292 20 5 EGBDRO COc1ccccc1[C@H](CNc1nccc(C)c1[N+](=O)[O-])[NH+](C)C ZINC000301290737 308695158 /nfs/dbraw/zinc/69/51/58/308695158.db2.gz NKRWVBAVZRTNPL-AWEZNQCLSA-N 1 0 330.388 3.022 20 5 EGBDRO CC[C@H](NC(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000331312109 308804304 /nfs/dbraw/zinc/80/43/04/308804304.db2.gz CCQDUFKCLJRGID-WSMBLCCSSA-N 1 0 333.432 3.423 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)NC2CCCCCC2)cc1[N+](=O)[O-] ZINC000331549458 308810158 /nfs/dbraw/zinc/81/01/58/308810158.db2.gz ROGULONNGDPGIK-CQSZACIVSA-N 1 0 333.432 3.393 20 5 EGBDRO CCc1cnc(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)s1 ZINC000331590886 308811283 /nfs/dbraw/zinc/81/12/83/308811283.db2.gz KQWSZNBSSLJHFT-QWHCGFSZSA-N 1 0 335.433 3.084 20 5 EGBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000332417769 308836809 /nfs/dbraw/zinc/83/68/09/308836809.db2.gz MWOCYUMQJLYEGM-IIDMSEBBSA-N 1 0 345.443 3.001 20 5 EGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCO[C@@H](c2ccccn2)C1 ZINC000449613203 310075441 /nfs/dbraw/zinc/07/54/41/310075441.db2.gz AHDIUEGJYNWYJO-IDHHARJASA-N 1 0 341.411 3.431 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1Cc2ccccc2[C@@H]1OC ZINC000411886375 308956576 /nfs/dbraw/zinc/95/65/76/308956576.db2.gz LHXDAROBFCBRNL-AEFFLSMTSA-N 1 0 328.368 3.005 20 5 EGBDRO CC(C)[NH+]1CCC(N(C)c2ccc([N+](=O)[O-])c3ncccc23)CC1 ZINC000413045776 309013087 /nfs/dbraw/zinc/01/30/87/309013087.db2.gz RGWYYCUFIDIMRS-UHFFFAOYSA-N 1 0 328.416 3.452 20 5 EGBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])cc2F)C1 ZINC000413064238 309014168 /nfs/dbraw/zinc/01/41/68/309014168.db2.gz BTJXNAYJMFEKKE-TZMCWYRMSA-N 1 0 330.363 3.376 20 5 EGBDRO C[NH+](C)[C@H]1CCC[C@@H](Nc2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000413163969 309019031 /nfs/dbraw/zinc/01/90/31/309019031.db2.gz BXUBCNKMHANOEF-ZJUUUORDSA-N 1 0 332.326 3.293 20 5 EGBDRO [NH3+]C1(CNCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CCC1 ZINC000414875080 309106669 /nfs/dbraw/zinc/10/66/69/309106669.db2.gz JFGLGIUXSFHSDC-UHFFFAOYSA-N 1 0 345.374 3.497 20 5 EGBDRO [NH3+]C[C@H](NCc1ccc(-c2ccccc2[N+](=O)[O-])o1)C1CCCC1 ZINC000415064770 309117961 /nfs/dbraw/zinc/11/79/61/309117961.db2.gz LPYWHHDLCRXIMC-INIZCTEOSA-N 1 0 329.400 3.462 20 5 EGBDRO [NH3+][C@@H]1CN(C/C=C/c2ccccc2[N+](=O)[O-])C[C@H]1c1ccccc1F ZINC000415131145 309122709 /nfs/dbraw/zinc/12/27/09/309122709.db2.gz YJCXBZPWFQPFNV-QXZUDOESSA-N 1 0 341.386 3.174 20 5 EGBDRO CC(C)(C)c1ccc(NC(=O)NCC[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000415692410 309141192 /nfs/dbraw/zinc/14/11/92/309141192.db2.gz GSTYNMKWYBIRKM-GFCCVEGCSA-N 1 0 334.420 3.156 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000415768833 309143538 /nfs/dbraw/zinc/14/35/38/309143538.db2.gz VXGSSRNYXGLHLZ-HNNXBMFYSA-N 1 0 334.420 3.057 20 5 EGBDRO Cc1noc(CCC[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)n1 ZINC000417311811 309201199 /nfs/dbraw/zinc/20/11/99/309201199.db2.gz QFBZOALTEASQHP-INIZCTEOSA-N 1 0 330.388 3.276 20 5 EGBDRO CCn1cccc(C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)c1=O ZINC000417334289 309202092 /nfs/dbraw/zinc/20/20/92/309202092.db2.gz RGRZCFMRISDIEX-SFHVURJKSA-N 1 0 341.411 3.334 20 5 EGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@H]2COCc3ccccc32)n1 ZINC000417359270 309202922 /nfs/dbraw/zinc/20/29/22/309202922.db2.gz IJPHBZVIKBBZCC-YESZJQIVSA-N 1 0 342.399 3.136 20 5 EGBDRO Cc1[nH+]c2cc(NCc3cccc([N+](=O)[O-])c3)ccc2n1[C@H](C)CO ZINC000419770376 309271762 /nfs/dbraw/zinc/27/17/62/309271762.db2.gz WXQZAHNTYDXVKX-GFCCVEGCSA-N 1 0 340.383 3.418 20 5 EGBDRO CC1(C)[C@@H](c2ccccc2)CC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000421013776 309307591 /nfs/dbraw/zinc/30/75/91/309307591.db2.gz GTKZQBIKIGSUMW-QGZVFWFLSA-N 1 0 341.411 3.025 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000421436818 309324600 /nfs/dbraw/zinc/32/46/00/309324600.db2.gz XEPKTQMDFUWKSQ-LSDHHAIUSA-N 1 0 333.432 3.204 20 5 EGBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)cc2C)C1 ZINC000421772302 309339419 /nfs/dbraw/zinc/33/94/19/309339419.db2.gz GOJDMVQPMKMEFV-OAHLLOKOSA-N 1 0 333.432 3.016 20 5 EGBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)cc2C)C1 ZINC000421770176 309339483 /nfs/dbraw/zinc/33/94/83/309339483.db2.gz BDBMOCBEWONJFP-OAHLLOKOSA-N 1 0 333.432 3.016 20 5 EGBDRO C[C@@H]([NH3+])c1ccc(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000423158790 309388784 /nfs/dbraw/zinc/38/87/84/309388784.db2.gz DIDUDEPIQPREPG-CQSZACIVSA-N 1 0 341.411 3.367 20 5 EGBDRO C[NH2+]CCc1ccccc1C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000423274442 309393619 /nfs/dbraw/zinc/39/36/19/309393619.db2.gz KMYMACOXAWMULG-CQSZACIVSA-N 1 0 341.411 3.156 20 5 EGBDRO CCc1ccc([C@H](NCC2=CC[NH2+]CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000423348155 309396452 /nfs/dbraw/zinc/39/64/52/309396452.db2.gz RWPFHCYZXXTDSE-LJQANCHMSA-N 1 0 341.411 3.349 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H](N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)CCC2 ZINC000423535803 309405501 /nfs/dbraw/zinc/40/55/01/309405501.db2.gz YJQKWUWESHRWNA-XUVXKRRUSA-N 1 0 337.423 3.317 20 5 EGBDRO COC(=O)c1cnc([C@H](C)[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])s1 ZINC000424326599 309438961 /nfs/dbraw/zinc/43/89/61/309438961.db2.gz MELIKOVCXSGAFJ-MNOVXSKESA-N 1 0 349.412 3.120 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[NH2+]CC1(CO)CC(c2ccccc2)C1 ZINC000433208550 309682371 /nfs/dbraw/zinc/68/23/71/309682371.db2.gz UQLHEEGWHDZSIS-UHFFFAOYSA-N 1 0 326.396 3.241 20 5 EGBDRO C[C@@H]1CCCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@H]1C[NH3+] ZINC000435390595 309731516 /nfs/dbraw/zinc/73/15/16/309731516.db2.gz SHQMZDQGERNJPP-WBMJQRKESA-N 1 0 346.456 3.278 20 5 EGBDRO C[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446830316 309968821 /nfs/dbraw/zinc/96/88/21/309968821.db2.gz QZLZKWKOYCWWDG-NSHDSACASA-N 1 0 328.347 3.331 20 5 EGBDRO COc1cc(F)cc(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000447585022 309983217 /nfs/dbraw/zinc/98/32/17/309983217.db2.gz IQESCYTUPQFIKD-CVEARBPZSA-N 1 0 348.378 3.213 20 5 EGBDRO CCNC(=O)c1cccc(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000449088246 310036220 /nfs/dbraw/zinc/03/62/20/310036220.db2.gz YJXPKMJTLBGMJL-AWEZNQCLSA-N 1 0 341.411 3.065 20 5 EGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1Cc2ccccc2N(C)C1 ZINC000449265439 310048697 /nfs/dbraw/zinc/04/86/97/310048697.db2.gz QFPZTIQVMAAPJK-HOTGVXAUSA-N 1 0 339.439 3.424 20 5 EGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(C[S@@](C)=O)cc1 ZINC000449321638 310053339 /nfs/dbraw/zinc/05/33/39/310053339.db2.gz TVCLJQOKJIPLCR-LFPIHBKWSA-N 1 0 346.452 3.194 20 5 EGBDRO CC(C)c1nnc(CC[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])s1 ZINC000449336023 310054358 /nfs/dbraw/zinc/05/43/58/310054358.db2.gz LNOCQKOFGYRVQB-LBPRGKRZSA-N 1 0 334.445 3.333 20 5 EGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CO)c1ccc(F)cc1 ZINC000449380488 310057694 /nfs/dbraw/zinc/05/76/94/310057694.db2.gz NKTUMFSYVFELMQ-DYVFJYSZSA-N 1 0 332.375 3.378 20 5 EGBDRO CC(C)CCSc1ccc(C(=O)N[C@@H](C)[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000449590660 310074235 /nfs/dbraw/zinc/07/42/35/310074235.db2.gz LMGDWHQZUSDKBD-RYUDHWBXSA-N 1 0 339.461 3.199 20 5 EGBDRO CC[C@@H]([NH3+])CNC(=O)c1ccc(SCCC(C)C)c([N+](=O)[O-])c1 ZINC000449603207 310074931 /nfs/dbraw/zinc/07/49/31/310074931.db2.gz VJRRGMSEFLLNJC-CYBMUJFWSA-N 1 0 339.461 3.200 20 5 EGBDRO CC(C)(C)O[C@@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)[C@@H]1n1cccn1 ZINC000449654934 310077869 /nfs/dbraw/zinc/07/78/69/310077869.db2.gz FYCYEOZQOZWCMM-ZACQAIPSSA-N 1 0 344.415 3.078 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2csc(N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)n2)cc1 ZINC000450252653 310111230 /nfs/dbraw/zinc/11/12/30/310111230.db2.gz JJLZIDZZEAXKBS-DZGCQCFKSA-N 1 0 344.440 3.179 20 5 EGBDRO O=[N+]([O-])c1ccc2c(ccnc2N2CCC([NH+]3CCCC3)CC2)c1 ZINC000450262343 310111693 /nfs/dbraw/zinc/11/16/93/310111693.db2.gz SCJJMHYFOXIPNG-UHFFFAOYSA-N 1 0 326.400 3.208 20 5 EGBDRO CSC1(CNc2nccc3c2cccc3[N+](=O)[O-])CC[NH+](C)CC1 ZINC000450532372 310128642 /nfs/dbraw/zinc/12/86/42/310128642.db2.gz OPOHBPOLAZCOHP-UHFFFAOYSA-N 1 0 346.456 3.382 20 5 EGBDRO CCC[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C(C)(C)C ZINC000451435785 310178361 /nfs/dbraw/zinc/17/83/61/310178361.db2.gz JQHVMFGTGBTSNJ-HNNXBMFYSA-N 1 0 337.420 3.346 20 5 EGBDRO O=C(C[NH2+][C@@H]1CCC12CCCC2)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000451455886 310179260 /nfs/dbraw/zinc/17/92/60/310179260.db2.gz KIXXNCYZCJYZOU-CQSZACIVSA-N 1 0 337.807 3.499 20 5 EGBDRO NC(=O)[C@@H](c1ccccc1)[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451543754 310184654 /nfs/dbraw/zinc/18/46/54/310184654.db2.gz CMUDPALWEMIAKA-SJLPKXTDSA-N 1 0 339.395 3.001 20 5 EGBDRO CCn1cc(CC[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC000451548041 310185099 /nfs/dbraw/zinc/18/50/99/310185099.db2.gz MCDSRCUVULEXOJ-QGZVFWFLSA-N 1 0 328.416 3.233 20 5 EGBDRO C[C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000451559581 310186387 /nfs/dbraw/zinc/18/63/87/310186387.db2.gz HHENQPSHHWIUSW-NVXWUHKLSA-N 1 0 345.443 3.033 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCSC[C@H]1C1CC1 ZINC000451645629 310190826 /nfs/dbraw/zinc/19/08/26/310190826.db2.gz BIYZJJFBORTPMD-INIZCTEOSA-N 1 0 349.456 3.059 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[NH2+]C1(Cc2ccccc2)CCOCC1 ZINC000451941912 310204476 /nfs/dbraw/zinc/20/44/76/310204476.db2.gz QGCYHVJSHPHAAT-UHFFFAOYSA-N 1 0 326.396 3.476 20 5 EGBDRO O=C(CC[N@@H+]1CCC[C@@]2(CCSC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000451965219 310205509 /nfs/dbraw/zinc/20/55/09/310205509.db2.gz KFCZWMVMZKIIMT-QGZVFWFLSA-N 1 0 349.456 3.143 20 5 EGBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2CC[C@@H](CCCO)C2)c1 ZINC000452124797 310213620 /nfs/dbraw/zinc/21/36/20/310213620.db2.gz RQIDOBAHKPYWHI-LLVKDONJSA-N 1 0 332.322 3.208 20 5 EGBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCOCC2CCCC2)n1 ZINC000453384911 310274041 /nfs/dbraw/zinc/27/40/41/310274041.db2.gz CSPMIRLCRNETMA-HOTGVXAUSA-N 1 0 336.436 3.071 20 5 EGBDRO C[C@@H](CNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)C[NH+]1CCCCC1 ZINC000454619023 310320330 /nfs/dbraw/zinc/32/03/30/310320330.db2.gz MBSWYMVMPCYKRB-GJZGRUSLSA-N 1 0 348.447 3.077 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC(C)(C)CCC[NH+](C)C ZINC000455462466 310361850 /nfs/dbraw/zinc/36/18/50/310361850.db2.gz KMHGSBLZSUPVIA-UHFFFAOYSA-N 1 0 336.436 3.399 20 5 EGBDRO C[NH+](C)CCCC(C)(C)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000456201696 310393223 /nfs/dbraw/zinc/39/32/23/310393223.db2.gz MOMXCJWBVUFOFX-UHFFFAOYSA-N 1 0 327.812 3.098 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H](CO)Cc1ccccc1 ZINC000468591645 310690896 /nfs/dbraw/zinc/69/08/96/310690896.db2.gz PYLBCSJGVWVTLF-QWSHFYNQSA-N 1 0 326.396 3.191 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCCN1CCCCCC1=O ZINC000468650267 310691513 /nfs/dbraw/zinc/69/15/13/310691513.db2.gz YAOYTTCFVAGCCF-DTQAZKPQSA-N 1 0 345.443 3.380 20 5 EGBDRO CCc1ccc(C(=O)NCCC[NH+]2CCCCCC2)cc1[N+](=O)[O-] ZINC000471391936 310736832 /nfs/dbraw/zinc/73/68/32/310736832.db2.gz SRIBVNBLCZONPS-UHFFFAOYSA-N 1 0 333.432 3.153 20 5 EGBDRO CC(C)C[C@@H](C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)N(C)C ZINC000480532786 310896042 /nfs/dbraw/zinc/89/60/42/310896042.db2.gz ADVBLGVCEPYMMG-ROUUACIJSA-N 1 0 333.476 3.482 20 5 EGBDRO COc1ccc(NC(=O)C[NH2+][C@H]2CCC(C)(C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000481085902 310905818 /nfs/dbraw/zinc/90/58/18/310905818.db2.gz BGQJYPPQWRXRBE-JSGCOSHPSA-N 1 0 349.431 3.346 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](CO)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000481169880 310907464 /nfs/dbraw/zinc/90/74/64/310907464.db2.gz JLOJUONXMMWMLO-WBVHZDCISA-N 1 0 328.412 3.405 20 5 EGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[NH+](Cc2ccccc2)CC1 ZINC000487243086 311017696 /nfs/dbraw/zinc/01/76/96/311017696.db2.gz ZZPRWTFYKICWBS-INIZCTEOSA-N 1 0 325.412 3.474 20 5 EGBDRO CCC[C@H]([NH2+]CC1(C(=O)NCC)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000488488455 311068159 /nfs/dbraw/zinc/06/81/59/311068159.db2.gz QYKNBYULYXTOHB-INIZCTEOSA-N 1 0 333.432 3.332 20 5 EGBDRO C[C@@H](CCc1ccccc1)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000488744644 311077782 /nfs/dbraw/zinc/07/77/82/311077782.db2.gz KKZFMICDBGTUFF-HNNXBMFYSA-N 1 0 328.416 3.450 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@H]3CCn4ccnc4C3)o2)c1 ZINC000494444968 311478565 /nfs/dbraw/zinc/47/85/65/311478565.db2.gz OJXYXLQSKXTIEH-AWEZNQCLSA-N 1 0 338.367 3.156 20 5 EGBDRO Cc1cscc1C[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000494490401 311483222 /nfs/dbraw/zinc/48/32/22/311483222.db2.gz CLDZPXOCEPMTIW-LBPRGKRZSA-N 1 0 333.413 3.472 20 5 EGBDRO COc1ccc([C@@H]2CC[N@H+](CCOc3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000504503672 312006937 /nfs/dbraw/zinc/00/69/37/312006937.db2.gz NNNLHMAEQULIDI-MRXNPFEDSA-N 1 0 342.395 3.472 20 5 EGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](C1CC1)N(C)C ZINC000504911524 312012475 /nfs/dbraw/zinc/01/24/75/312012475.db2.gz HUGKBCBSOBQIRG-GOEBONIOSA-N 1 0 337.489 3.395 20 5 EGBDRO CCN(C)CC[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000507947071 312085644 /nfs/dbraw/zinc/08/56/44/312085644.db2.gz WQEOCJYUGJNPID-UHFFFAOYSA-N 1 0 342.443 3.404 20 5 EGBDRO Cc1ccc(NC(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000510354099 312138980 /nfs/dbraw/zinc/13/89/80/312138980.db2.gz YUICPEHRSABBDT-GUTXKFCHSA-N 1 0 348.447 3.391 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCO[C@@H](c2ccnn2C)C1 ZINC000514712387 312240142 /nfs/dbraw/zinc/24/01/42/312240142.db2.gz YXLZBIQCBNOHNB-SUNYJGFJSA-N 1 0 344.415 3.208 20 5 EGBDRO CCC(CC)Nc1cc[nH+]cc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000514818392 312246772 /nfs/dbraw/zinc/24/67/72/312246772.db2.gz RWBYUOQGYSGQEK-UHFFFAOYSA-N 1 0 328.372 3.265 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000515425579 312282251 /nfs/dbraw/zinc/28/22/51/312282251.db2.gz CYEFAWGAAZQYGN-SFHVURJKSA-N 1 0 346.431 3.161 20 5 EGBDRO CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000516652686 312335859 /nfs/dbraw/zinc/33/58/59/312335859.db2.gz IEAAVOCZMVEYKW-ZDUSSCGKSA-N 1 0 346.431 3.230 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CCC[N@@H+](C(C)(C)C)CC1 ZINC000535083862 314026339 /nfs/dbraw/zinc/02/63/39/314026339.db2.gz HOMUOHNNNMLGFW-UHFFFAOYSA-N 1 0 335.448 3.300 20 5 EGBDRO CC[C@H]([NH2+]CCC(=O)Nc1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC000538615215 314258257 /nfs/dbraw/zinc/25/82/57/314258257.db2.gz PYIUHGLEQIHFHE-HNNXBMFYSA-N 1 0 328.372 3.059 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1ccc(OCCO)cc1 ZINC000539073070 314294386 /nfs/dbraw/zinc/29/43/86/314294386.db2.gz XBKXODOAUMVIER-CQSZACIVSA-N 1 0 330.384 3.125 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1ccc(OCCO)cc1 ZINC000539073065 314294777 /nfs/dbraw/zinc/29/47/77/314294777.db2.gz XBKXODOAUMVIER-AWEZNQCLSA-N 1 0 330.384 3.125 20 5 EGBDRO CC(C)n1cc([C@@H](C)[NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)cn1 ZINC000543503407 314633959 /nfs/dbraw/zinc/63/39/59/314633959.db2.gz PBBNBDFOTKBILV-CYBMUJFWSA-N 1 0 345.403 3.052 20 5 EGBDRO Cc1cccc(NCc2ccccc2OCC[NH+](C)C)c1[N+](=O)[O-] ZINC000549122170 315076906 /nfs/dbraw/zinc/07/69/06/315076906.db2.gz MZDXZBYOPZWRFK-UHFFFAOYSA-N 1 0 329.400 3.456 20 5 EGBDRO CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000549157780 315079233 /nfs/dbraw/zinc/07/92/33/315079233.db2.gz NPSGPWSLSQKJKA-DOTOQJQBSA-N 1 0 347.459 3.249 20 5 EGBDRO CC(C)c1cc(N[C@@H](C)c2ccccc2[N+](=O)[O-])nc(N(C)C)[nH+]1 ZINC000553185743 315249346 /nfs/dbraw/zinc/24/93/46/315249346.db2.gz ZUTCTEOKCYTRTN-LBPRGKRZSA-N 1 0 329.404 3.169 20 5 EGBDRO CC[C@@H](C)[C@H](C)[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000554331057 315310446 /nfs/dbraw/zinc/31/04/46/315310446.db2.gz HZSHDIXPJFVNCS-KGLIPLIRSA-N 1 0 345.443 3.383 20 5 EGBDRO CC[C@H](C)[C@@H](C)[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000554331058 315310524 /nfs/dbraw/zinc/31/05/24/315310524.db2.gz HZSHDIXPJFVNCS-UONOGXRCSA-N 1 0 345.443 3.383 20 5 EGBDRO CC(C)[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccccn1 ZINC000554525803 315327970 /nfs/dbraw/zinc/32/79/70/315327970.db2.gz GYCZMXUPPGTQTB-UHFFFAOYSA-N 1 0 342.399 3.229 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+][C@@H](CO)C1CCCC1 ZINC000554990951 315361129 /nfs/dbraw/zinc/36/11/29/315361129.db2.gz HDUCZKHIINKUSZ-JQHSSLGASA-N 1 0 332.444 3.447 20 5 EGBDRO CCN(CC[NH+]1CCCCCC1)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000558030787 315546885 /nfs/dbraw/zinc/54/68/85/315546885.db2.gz NKNPSINRXGRYQY-UHFFFAOYSA-N 1 0 347.459 3.252 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCc1cn2c(n1)SCC2 ZINC000558681182 315591775 /nfs/dbraw/zinc/59/17/75/315591775.db2.gz FYYDFASCWMVPHL-LBPRGKRZSA-N 1 0 332.429 3.099 20 5 EGBDRO C[C@H]1CCC[C@]1(O)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000559353833 315630144 /nfs/dbraw/zinc/63/01/44/315630144.db2.gz YAKGBWDXNIAAFS-UGSOOPFHSA-N 1 0 330.384 3.496 20 5 EGBDRO COc1ccc(CC[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])c(OC)c1 ZINC000563416004 316017744 /nfs/dbraw/zinc/01/77/44/316017744.db2.gz FGIKOUCKYRBTGF-QGZVFWFLSA-N 1 0 342.395 3.432 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000564444968 316153470 /nfs/dbraw/zinc/15/34/70/316153470.db2.gz WGJLPRGOTJILSD-UHFFFAOYSA-N 1 0 348.447 3.495 20 5 EGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@H]1CCN(CC(F)(F)F)C1 ZINC000565430284 316324012 /nfs/dbraw/zinc/32/40/12/316324012.db2.gz DBHBTXOHELZEDE-RISCZKNCSA-N 1 0 343.349 3.056 20 5 EGBDRO CC[N@@H+]1CCC[C@H]1CN[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000570456393 317058190 /nfs/dbraw/zinc/05/81/90/317058190.db2.gz VSMRUGPATBIBOL-KBPBESRZSA-N 1 0 331.338 3.272 20 5 EGBDRO CC(C)c1csc(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])n1 ZINC000573359162 317474207 /nfs/dbraw/zinc/47/42/07/317474207.db2.gz QUQUKLJODIPSPZ-UHFFFAOYSA-N 1 0 348.428 3.293 20 5 EGBDRO CCCC[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000023991565 323213510 /nfs/dbraw/zinc/21/35/10/323213510.db2.gz DYDFWOJIWALHDA-UHFFFAOYSA-N 1 0 344.209 3.028 20 5 EGBDRO CN(Cc1c(F)cccc1[N+](=O)[O-])C[C@H]1COc2ccccc2O1 ZINC000171614216 323242527 /nfs/dbraw/zinc/24/25/27/323242527.db2.gz YFGURJGYPMLRGQ-LBPRGKRZSA-N 1 0 332.331 3.006 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)c1 ZINC000172790522 323289966 /nfs/dbraw/zinc/28/99/66/323289966.db2.gz NIDFFCOPWKPNBM-SFHVURJKSA-N 1 0 347.459 3.390 20 5 EGBDRO CC[C@@H]([NH2+][C@H]1CCN(c2ccccc2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000178675370 323359223 /nfs/dbraw/zinc/35/92/23/323359223.db2.gz NJTNAFMFONJKLU-MSOLQXFVSA-N 1 0 339.395 3.441 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](CCCO)c1ccccc1 ZINC000179725591 323402709 /nfs/dbraw/zinc/40/27/09/323402709.db2.gz DZERSKBRVLMPRV-KRWDZBQOSA-N 1 0 330.384 3.207 20 5 EGBDRO COc1ccc(F)cc1[C@H](C)[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000179947298 323414898 /nfs/dbraw/zinc/41/48/98/323414898.db2.gz GFXFNQJIRIRTSD-LBPRGKRZSA-N 1 0 334.347 3.472 20 5 EGBDRO C[NH+](C)CCCC(C)(C)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000387175100 324270095 /nfs/dbraw/zinc/27/00/95/324270095.db2.gz UHPJZKSCHOGKNJ-UHFFFAOYSA-N 1 0 327.812 3.098 20 5 EGBDRO CN(CCC[NH+](C)C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000576742616 324673463 /nfs/dbraw/zinc/67/34/63/324673463.db2.gz XFEFUXXOWXNYHW-UHFFFAOYSA-N 1 0 334.445 3.102 20 5 EGBDRO CN(C)[C@H](C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])Cc1ccccc1 ZINC000577506941 324820039 /nfs/dbraw/zinc/82/00/39/324820039.db2.gz LJNMJHONHSRKRJ-LPHOPBHVSA-N 1 0 339.439 3.345 20 5 EGBDRO CO[C@H](c1ccccc1)[C@H](C)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000579065588 325055309 /nfs/dbraw/zinc/05/53/09/325055309.db2.gz AEMVOCYNXLSVJF-KSSFIOAISA-N 1 0 330.384 3.339 20 5 EGBDRO CCc1nn(C)c(Nc2cccc(CC[NH+]3CCCC3)c2)c1[N+](=O)[O-] ZINC000580913390 325308455 /nfs/dbraw/zinc/30/84/55/325308455.db2.gz MNPJDEDDDIGACH-UHFFFAOYSA-N 1 0 343.431 3.273 20 5 EGBDRO CC[N@@H+]1CC[C@H](CN[C@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)C1 ZINC000580956271 325313819 /nfs/dbraw/zinc/31/38/19/325313819.db2.gz PIAVYQAXTKBWEI-BXUZGUMPSA-N 1 0 331.338 3.130 20 5 EGBDRO CC(C)Oc1nc(N2CCC[C@@H]([NH+]3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000581082339 325328682 /nfs/dbraw/zinc/32/86/82/325328682.db2.gz LXQONYVRLNHTKI-OAHLLOKOSA-N 1 0 348.447 3.232 20 5 EGBDRO Cc1ccc([C@@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])N2CCCC2)o1 ZINC000237887149 455228460 /nfs/dbraw/zinc/22/84/60/455228460.db2.gz QUJPCPGSHUCHFF-QGZVFWFLSA-N 1 0 329.400 3.423 20 5 EGBDRO [NH3+][C@@H](CC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000237883944 455228937 /nfs/dbraw/zinc/22/89/37/455228937.db2.gz ZBYYTELERLIWHA-SFHVURJKSA-N 1 0 341.411 3.124 20 5 EGBDRO CC[NH+](CC)[C@H]1CCN(C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000189955944 455260680 /nfs/dbraw/zinc/26/06/80/455260680.db2.gz ODTBIDLUMSADNR-HNNXBMFYSA-N 1 0 333.432 3.275 20 5 EGBDRO C[C@H]([NH2+]CCCS(=O)(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000173357612 455272735 /nfs/dbraw/zinc/27/27/35/455272735.db2.gz FYYUTBDDOUTSNV-AWEZNQCLSA-N 1 0 348.424 3.109 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000245450233 455304011 /nfs/dbraw/zinc/30/40/11/455304011.db2.gz OKEPBLHKSRVIJR-WMLDXEAASA-N 1 0 331.416 3.496 20 5 EGBDRO [NH3+]C[C@@H]1CN(C/C=C\c2ccccc2[N+](=O)[O-])CC[C@@H]1C(F)(F)F ZINC000600778212 460599885 /nfs/dbraw/zinc/59/98/85/460599885.db2.gz WSZULTBBCXOUBI-FJDWXNHUSA-N 1 0 343.349 3.067 20 5 EGBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1cccc(F)c1 ZINC000026223902 453794738 /nfs/dbraw/zinc/79/47/38/453794738.db2.gz DIHPLQIWUFCGEA-UHFFFAOYSA-N 1 0 331.347 3.195 20 5 EGBDRO COc1ccc(C[N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000026221428 453795061 /nfs/dbraw/zinc/79/50/61/453795061.db2.gz ZRNOQNWYZFIOME-UHFFFAOYSA-N 1 0 343.383 3.064 20 5 EGBDRO O=[N+]([O-])c1cccnc1N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000026759659 453805319 /nfs/dbraw/zinc/80/53/19/453805319.db2.gz VAVXXJLPUBSZQX-UHFFFAOYSA-N 1 0 348.406 3.465 20 5 EGBDRO CCOc1ccc(NC(=O)C[N@H+](CC(C)C)C(C)C)c([N+](=O)[O-])c1 ZINC000029724085 453830814 /nfs/dbraw/zinc/83/08/14/453830814.db2.gz XGJJBSJBCFRAOV-UHFFFAOYSA-N 1 0 337.420 3.298 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)CCCc1ccccc1 ZINC000052802446 453845069 /nfs/dbraw/zinc/84/50/69/453845069.db2.gz MNUYAXSECCZKJV-UHFFFAOYSA-N 1 0 341.411 3.406 20 5 EGBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000081364457 453865605 /nfs/dbraw/zinc/86/56/05/453865605.db2.gz KEATXUVKCAFENS-LBPRGKRZSA-N 1 0 339.823 3.052 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000067165522 453908265 /nfs/dbraw/zinc/90/82/65/453908265.db2.gz XZDBSBWNVNFVMU-GJZGRUSLSA-N 1 0 347.459 3.391 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000067165242 453908435 /nfs/dbraw/zinc/90/84/35/453908435.db2.gz UXBGXZNBWOLGPK-UHFFFAOYSA-N 1 0 333.432 3.145 20 5 EGBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000054226733 453917225 /nfs/dbraw/zinc/91/72/25/453917225.db2.gz ZJSQUUKVRZLPMN-ZBFHGGJFSA-N 1 0 339.395 3.160 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCC[C@H]4CCC[C@@H]43)o2)cc1 ZINC000075769099 453924982 /nfs/dbraw/zinc/92/49/82/453924982.db2.gz RDZCVJUSFGMMIR-DOMZBBRYSA-N 1 0 328.372 3.409 20 5 EGBDRO Cc1c(NC(=O)CC[N@@H+]2CC[C@@H]3CCCC[C@@H]32)cccc1[N+](=O)[O-] ZINC000159583525 455387595 /nfs/dbraw/zinc/38/75/95/455387595.db2.gz NFKZEMFBICHLLU-YOEHRIQHSA-N 1 0 331.416 3.496 20 5 EGBDRO COc1cccc([C@H](CNc2ncccc2[N+](=O)[O-])[NH+]2CCCC2)c1 ZINC000067948784 453983104 /nfs/dbraw/zinc/98/31/04/453983104.db2.gz VONFPHNLLOFLBJ-KRWDZBQOSA-N 1 0 342.399 3.247 20 5 EGBDRO Cc1cc([C@@H]2CCC[N@@H+]2CCCOc2ccc([N+](=O)[O-])cc2)on1 ZINC000055903324 454023463 /nfs/dbraw/zinc/02/34/63/454023463.db2.gz RDJODIARCUMAJJ-INIZCTEOSA-N 1 0 331.372 3.497 20 5 EGBDRO CC[NH+](CC)Cc1cccc(CNC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000043270772 454051849 /nfs/dbraw/zinc/05/18/49/454051849.db2.gz LKSYYGTVVYQUQS-UHFFFAOYSA-N 1 0 341.411 3.367 20 5 EGBDRO Cc1c(NC(=O)NC[C@H](c2cccs2)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000043348086 454057835 /nfs/dbraw/zinc/05/78/35/454057835.db2.gz BNBKOFGQFLCMIL-CQSZACIVSA-N 1 0 348.428 3.389 20 5 EGBDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000087170128 454067537 /nfs/dbraw/zinc/06/75/37/454067537.db2.gz QRARQAWEQWYTTB-HNNXBMFYSA-N 1 0 347.459 3.154 20 5 EGBDRO O=[N+]([O-])c1ccc(OCC[NH2+]CC2=Cc3ccccc3OC2)cc1 ZINC000068989395 454070627 /nfs/dbraw/zinc/07/06/27/454070627.db2.gz ZXVUFFXNBMRCGT-UHFFFAOYSA-N 1 0 326.352 3.039 20 5 EGBDRO C[N@H+](CCOCC1CC1)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000088601017 454114264 /nfs/dbraw/zinc/11/42/64/454114264.db2.gz JMWVDIIUCBACPX-UHFFFAOYSA-N 1 0 345.399 3.151 20 5 EGBDRO CC(=O)c1ccc(N2CCC[N@@H+](C3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000077994936 454175184 /nfs/dbraw/zinc/17/51/84/454175184.db2.gz SMDDQTZJBFTKNP-UHFFFAOYSA-N 1 0 331.416 3.252 20 5 EGBDRO CCC[NH+]1CCC(NC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)CC1 ZINC000093906081 454178951 /nfs/dbraw/zinc/17/89/51/454178951.db2.gz LHLCDYFHNBHYKE-UHFFFAOYSA-N 1 0 333.432 3.124 20 5 EGBDRO CCC[N@H+](C)C[C@@H]1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000119278162 454183942 /nfs/dbraw/zinc/18/39/42/454183942.db2.gz XIYFQDHTHRGJOZ-ZDUSSCGKSA-N 1 0 325.840 3.412 20 5 EGBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(CN2CCCCC2=O)CC1 ZINC000071912004 454254143 /nfs/dbraw/zinc/25/41/43/454254143.db2.gz MCBYTSSMIQWWIP-HNNXBMFYSA-N 1 0 345.443 3.380 20 5 EGBDRO Cc1cnc(N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000078674999 454296175 /nfs/dbraw/zinc/29/61/75/454296175.db2.gz GFXMGCWIVJUCSX-QGZVFWFLSA-N 1 0 340.427 3.257 20 5 EGBDRO COc1cccc([C@@H](CNc2ccc([N+](=O)[O-])cn2)[NH+]2CCCC2)c1 ZINC000072672741 454325877 /nfs/dbraw/zinc/32/58/77/454325877.db2.gz AXJHFKWIUQVXSM-QGZVFWFLSA-N 1 0 342.399 3.247 20 5 EGBDRO COC1(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CCOCC1 ZINC000090651405 454332228 /nfs/dbraw/zinc/33/22/28/454332228.db2.gz MVGITIRMSWDHEY-NVXWUHKLSA-N 1 0 348.443 3.091 20 5 EGBDRO CCCCNC(=O)C1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000132809768 454367813 /nfs/dbraw/zinc/36/78/13/454367813.db2.gz IXQWJUYQUHQZBS-UHFFFAOYSA-N 1 0 333.432 3.304 20 5 EGBDRO CCCCNC(=O)C1([NH2+]Cc2ccccc2[N+](=O)[O-])CCCCC1 ZINC000132811799 454367851 /nfs/dbraw/zinc/36/78/51/454367851.db2.gz SUXFQTFFISYJFW-UHFFFAOYSA-N 1 0 333.432 3.304 20 5 EGBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000063695792 454437999 /nfs/dbraw/zinc/43/79/99/454437999.db2.gz WERVTILDMMFKMO-LBPRGKRZSA-N 1 0 339.823 3.098 20 5 EGBDRO Cn1cnc([N+](=O)[O-])c1NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000063737747 454443230 /nfs/dbraw/zinc/44/32/30/454443230.db2.gz IAKCCNICQWEDEB-UHFFFAOYSA-N 1 0 343.431 3.316 20 5 EGBDRO Cc1ccc([C@H](CNC(=O)c2ccc(F)cc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000133732916 454461145 /nfs/dbraw/zinc/46/11/45/454461145.db2.gz RFPGPMKSCLGCSC-KRWDZBQOSA-N 1 0 345.374 3.075 20 5 EGBDRO CCCC[N@H+](CCCO)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000182156055 455449054 /nfs/dbraw/zinc/44/90/54/455449054.db2.gz YRDRRMUOTZXLMQ-UHFFFAOYSA-N 1 0 333.388 3.234 20 5 EGBDRO O=[N+]([O-])c1cccnc1NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000065202005 454537476 /nfs/dbraw/zinc/53/74/76/454537476.db2.gz GKEREFTUIGPKBU-INIZCTEOSA-N 1 0 326.400 3.314 20 5 EGBDRO CCc1ccc([C@H](COC)[NH2+]CCOc2ccccc2[N+](=O)[O-])o1 ZINC000184827817 455455531 /nfs/dbraw/zinc/45/55/31/455455531.db2.gz AFUHXPOBFIZLQS-AWEZNQCLSA-N 1 0 334.372 3.106 20 5 EGBDRO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000051050856 454606585 /nfs/dbraw/zinc/60/65/85/454606585.db2.gz ZQXRWLBCRJQTDQ-HOCLYGCPSA-N 1 0 333.432 3.112 20 5 EGBDRO CC[N@H+](C)Cc1cccc(CNC(=O)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000065881155 454635408 /nfs/dbraw/zinc/63/54/08/454635408.db2.gz AFHLWRPIIAAXDH-UHFFFAOYSA-N 1 0 345.374 3.116 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCn2cccc2[C@H]1C ZINC000105593619 454645410 /nfs/dbraw/zinc/64/54/10/454645410.db2.gz UWCSKRAXXMEMDH-CQSZACIVSA-N 1 0 342.399 3.110 20 5 EGBDRO C[C@H]([NH2+][C@@H]1CCN(C(=O)C2CCCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000123741663 454670743 /nfs/dbraw/zinc/67/07/43/454670743.db2.gz PUABWFAUTZVNDQ-WMLDXEAASA-N 1 0 345.443 3.427 20 5 EGBDRO CN(Cc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCCc2c1cnn2C ZINC000135646479 454695876 /nfs/dbraw/zinc/69/58/76/454695876.db2.gz QOIHCSPXKKMEMO-CQSZACIVSA-N 1 0 334.807 3.491 20 5 EGBDRO CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000152949614 454745886 /nfs/dbraw/zinc/74/58/86/454745886.db2.gz JNMXFEYYGJOFKL-CYBMUJFWSA-N 1 0 345.424 3.034 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@H](O)c1ccc(F)cc1)C1CC1 ZINC000124786147 454769615 /nfs/dbraw/zinc/76/96/15/454769615.db2.gz SXOHALAAEDKLLD-MJGOQNOKSA-N 1 0 344.386 3.378 20 5 EGBDRO COc1ccc2c(c1)C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)CC2 ZINC000162599035 454787153 /nfs/dbraw/zinc/78/71/53/454787153.db2.gz WEWISHVSLDLIST-KRWDZBQOSA-N 1 0 326.396 3.293 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCN(CC(F)(F)F)C1 ZINC000125807131 454848726 /nfs/dbraw/zinc/84/87/26/454848726.db2.gz FJRNVPALXRCWQX-RYUDHWBXSA-N 1 0 331.338 3.190 20 5 EGBDRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000178161409 454939853 /nfs/dbraw/zinc/93/98/53/454939853.db2.gz RCJFZSHDSCCIPA-GXFFZTMASA-N 1 0 333.413 3.057 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(NC2CC[NH+](CCc3ccccc3)CC2)n1 ZINC000178170841 454940639 /nfs/dbraw/zinc/94/06/39/454940639.db2.gz VMZUHOYRZJBDEU-UHFFFAOYSA-N 1 0 340.427 3.417 20 5 EGBDRO C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCc2ccccc2C1 ZINC000114489767 454958098 /nfs/dbraw/zinc/95/80/98/454958098.db2.gz TVKMBOVPVXMLNG-MRXNPFEDSA-N 1 0 339.395 3.023 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N(CC(C)C)C1CC[NH+](C)CC1 ZINC000127820027 455000871 /nfs/dbraw/zinc/00/08/71/455000871.db2.gz HCQDMCDLQILELY-UHFFFAOYSA-N 1 0 333.432 3.096 20 5 EGBDRO [NH3+]C[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)C1CCCCC1 ZINC000179209976 455020873 /nfs/dbraw/zinc/02/08/73/455020873.db2.gz NIYGKCXDPFIXMP-AWEZNQCLSA-N 1 0 347.440 3.447 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[N@@H+](Cc1ccccc1)[C@@H](CO)C1CC1 ZINC000155995758 455070859 /nfs/dbraw/zinc/07/08/59/455070859.db2.gz FVHNNJPRKYYRIP-IBGZPJMESA-N 1 0 326.396 3.368 20 5 EGBDRO CC[C@H]1CCCN(CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000117342836 455083944 /nfs/dbraw/zinc/08/39/44/455083944.db2.gz FSSLLTAJOOQPTN-ZDUSSCGKSA-N 1 0 335.404 3.054 20 5 EGBDRO C[C@H]([NH2+]CC(=O)N(C)[C@@H]1CCCC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000180417215 455166055 /nfs/dbraw/zinc/16/60/55/455166055.db2.gz TWCOJLAQBNPIDA-GRDNDAEWSA-N 1 0 333.432 3.283 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CCCc3cccc(F)c3)C2)nc1 ZINC000182877947 455182707 /nfs/dbraw/zinc/18/27/07/455182707.db2.gz OTPGOZNJGCOWHP-MRXNPFEDSA-N 1 0 344.390 3.248 20 5 EGBDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000172842334 455195271 /nfs/dbraw/zinc/19/52/71/455195271.db2.gz ZLMZJKNNMRHJMS-CYBMUJFWSA-N 1 0 339.823 3.195 20 5 EGBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000190086542 455277980 /nfs/dbraw/zinc/27/79/80/455277980.db2.gz PCZSEWLPRBERBB-OAHLLOKOSA-N 1 0 347.459 3.426 20 5 EGBDRO C[C@@H](CCNC(=O)c1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1ccccc1 ZINC000173598016 455314187 /nfs/dbraw/zinc/31/41/87/455314187.db2.gz VVNGMEGSZRVTNW-HNNXBMFYSA-N 1 0 341.411 3.235 20 5 EGBDRO CC[NH+](CC)CCSCC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000173612230 455315935 /nfs/dbraw/zinc/31/59/35/455315935.db2.gz FAZXMDQGIBWPOH-UHFFFAOYSA-N 1 0 339.461 3.225 20 5 EGBDRO C[C@H]([NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])C(=O)NC(C)(C)C ZINC000245566304 455331312 /nfs/dbraw/zinc/33/13/12/455331312.db2.gz XCSROSJUWCLQEC-OFQRWUPVSA-N 1 0 347.459 3.199 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCO[C@]3(CCc4ccccc43)C2)cc1 ZINC000159602374 455388232 /nfs/dbraw/zinc/38/82/32/455388232.db2.gz VHAQLFNFRXXXBB-HXUWFJFHSA-N 1 0 338.407 3.311 20 5 EGBDRO CCC[N@H+](CCc1cccs1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000184512450 455394006 /nfs/dbraw/zinc/39/40/06/455394006.db2.gz FWPCGSSEULSJPY-UHFFFAOYSA-N 1 0 347.440 3.210 20 5 EGBDRO C[C@H](c1ccco1)[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000182202425 455459907 /nfs/dbraw/zinc/45/99/07/455459907.db2.gz YQEZHOFNKBPXHB-HIFRSBDPSA-N 1 0 346.383 3.153 20 5 EGBDRO C[C@@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000266921164 455475402 /nfs/dbraw/zinc/47/54/02/455475402.db2.gz YQEPIVNMDNZGCU-RDTXWAMCSA-N 1 0 339.395 3.047 20 5 EGBDRO Cc1cnc([C@H](C)[NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)s1 ZINC000185031673 455488685 /nfs/dbraw/zinc/48/86/85/455488685.db2.gz QUFPCARRDJHYGT-LBPRGKRZSA-N 1 0 348.428 3.348 20 5 EGBDRO Cc1cc(C)cc([C@@H](C)[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000182416607 455509957 /nfs/dbraw/zinc/50/99/57/455509957.db2.gz FDCCAGCWKAKMKZ-WBVHZDCISA-N 1 0 344.411 3.302 20 5 EGBDRO C[C@H](O)[C@](C)(C[NH2+]Cc1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000191710023 455512146 /nfs/dbraw/zinc/51/21/46/455512146.db2.gz HUXYUCCQODMAST-KXBFYZLASA-N 1 0 328.412 3.314 20 5 EGBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000161170332 455543039 /nfs/dbraw/zinc/54/30/39/455543039.db2.gz GGBVPROSVUDAAZ-GWCFXTLKSA-N 1 0 331.338 3.390 20 5 EGBDRO CCCNC(=O)C1CC[NH+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000182611662 455553318 /nfs/dbraw/zinc/55/33/18/455553318.db2.gz WFQIZKVQCIGHEV-AWEZNQCLSA-N 1 0 333.432 3.202 20 5 EGBDRO C[C@H]1C[C@@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCO1 ZINC000271321049 455596789 /nfs/dbraw/zinc/59/67/89/455596789.db2.gz YFSPLFPFVGPUST-AAEUAGOBSA-N 1 0 333.413 3.375 20 5 EGBDRO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000277637610 455620748 /nfs/dbraw/zinc/62/07/48/455620748.db2.gz CRJOBADYTSTUNX-CZUORRHYSA-N 1 0 349.431 3.330 20 5 EGBDRO C/C=C/C[C@@H](CO)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000185810741 455626646 /nfs/dbraw/zinc/62/66/46/455626646.db2.gz QXESGRJTIIZLIC-IBUXWKBASA-N 1 0 333.413 3.135 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000268257970 455632913 /nfs/dbraw/zinc/63/29/13/455632913.db2.gz KOSFQPYLVDIZPT-ZBFHGGJFSA-N 1 0 346.383 3.285 20 5 EGBDRO COc1ccc(NC(=O)C[N@H+](C)[C@@H]2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000192622828 455656342 /nfs/dbraw/zinc/65/63/42/455656342.db2.gz PLQGTCRBDGPDKG-IUODEOHRSA-N 1 0 335.404 3.052 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCOc1ncccc1F)C1CC1 ZINC000271546524 455680103 /nfs/dbraw/zinc/68/01/03/455680103.db2.gz UJFCZLTVBLKUSE-INIZCTEOSA-N 1 0 345.374 3.119 20 5 EGBDRO C[C@H]1C[N@H+](CCCNc2ccc([N+](=O)[O-])c3cccnc23)CCCO1 ZINC000277847332 455683674 /nfs/dbraw/zinc/68/36/74/455683674.db2.gz CDVLKVBSQBKQFR-AWEZNQCLSA-N 1 0 344.415 3.056 20 5 EGBDRO COC(=O)N1CCC([C@@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000186048909 455684223 /nfs/dbraw/zinc/68/42/23/455684223.db2.gz WBDKSNNCPIVRIZ-QWHCGFSZSA-N 1 0 335.404 3.112 20 5 EGBDRO C[C@H]1CN(Cc2cc(=O)oc3ccc4ccccc4c23)C[C@@H]1[NH+](C)C ZINC000271570323 455688256 /nfs/dbraw/zinc/68/82/56/455688256.db2.gz ONZCOLVOLWDKEA-KSSFIOAISA-N 1 0 336.435 3.328 20 5 EGBDRO COc1cccc([C@H](O)C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000192852875 455706973 /nfs/dbraw/zinc/70/69/73/455706973.db2.gz VQUYXKDBZIDICN-RBUKOAKNSA-N 1 0 342.395 3.304 20 5 EGBDRO COc1ccc(F)cc1[C@H](C)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000271641526 455708867 /nfs/dbraw/zinc/70/88/67/455708867.db2.gz HACBFANUVBTYET-MEDUHNTESA-N 1 0 334.347 3.127 20 5 EGBDRO C[N@@H+]1CCC[C@@H]2CN(c3ccc([N+](=O)[O-])c4cccnc43)CC[C@@H]21 ZINC000268807382 455713882 /nfs/dbraw/zinc/71/38/82/455713882.db2.gz GAPBSAXDZQKGHV-HIFRSBDPSA-N 1 0 326.400 3.064 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000194026865 455792394 /nfs/dbraw/zinc/79/23/94/455792394.db2.gz NPKBURFQORNZGI-HYVNUMGLSA-N 1 0 332.400 3.041 20 5 EGBDRO CCOc1ccc(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1OC ZINC000285342060 455826437 /nfs/dbraw/zinc/82/64/37/455826437.db2.gz UWRAWGMUCQMMKM-GFCCVEGCSA-N 1 0 345.399 3.435 20 5 EGBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000187019404 455863620 /nfs/dbraw/zinc/86/36/20/455863620.db2.gz ZZWLKYYFCOFNRO-INIZCTEOSA-N 1 0 347.459 3.106 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000194673980 455871732 /nfs/dbraw/zinc/87/17/32/455871732.db2.gz NEZAFJMAENUZNT-OAHLLOKOSA-N 1 0 341.411 3.154 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCCCCC[NH+]1CCCC1 ZINC000296185370 455875162 /nfs/dbraw/zinc/87/51/62/455875162.db2.gz MFQMHTRYPLJFTO-UHFFFAOYSA-N 1 0 334.420 3.291 20 5 EGBDRO C[NH+]1CCC([C@@H]2CCN(c3ccc4ncccc4c3[N+](=O)[O-])C2)CC1 ZINC000270182774 455895886 /nfs/dbraw/zinc/89/58/86/455895886.db2.gz NDVGCVBPGLVYBT-OAHLLOKOSA-N 1 0 340.427 3.311 20 5 EGBDRO COCC[C@@H](NCc1c(F)cc([N+](=O)[O-])cc1F)c1ccco1 ZINC000285701706 455899375 /nfs/dbraw/zinc/89/93/75/455899375.db2.gz RTMVJEMQWQHWOP-CQSZACIVSA-N 1 0 326.299 3.333 20 5 EGBDRO CN(CCC[N@H+](C)Cc1ccco1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000285712769 455902872 /nfs/dbraw/zinc/90/28/72/455902872.db2.gz PRUCFBBWSBJBIJ-UHFFFAOYSA-N 1 0 335.379 3.281 20 5 EGBDRO CC(C)(C)c1ccc(C(=O)N2CCC3(CC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000261644787 455919678 /nfs/dbraw/zinc/91/96/78/455919678.db2.gz AYDGVDMZYUZBAW-UHFFFAOYSA-N 1 0 345.443 3.108 20 5 EGBDRO C[C@@H]1CCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000261657035 455922635 /nfs/dbraw/zinc/92/26/35/455922635.db2.gz BSTJTASRJKSUFN-OCCSQVGLSA-N 1 0 333.432 3.092 20 5 EGBDRO CC[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H](C)Cc1ccsc1 ZINC000187795418 455953261 /nfs/dbraw/zinc/95/32/61/455953261.db2.gz TZKKYPDVTCNYIC-GFCCVEGCSA-N 1 0 347.440 3.208 20 5 EGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1nnc(C(C)C)[nH]1 ZINC000296553101 455971131 /nfs/dbraw/zinc/97/11/31/455971131.db2.gz RRNOENCLIALCNF-LBPRGKRZSA-N 1 0 349.460 3.497 20 5 EGBDRO Cc1ccccc1C[NH+]1CCC(Nc2ncc([N+](=O)[O-])s2)CC1 ZINC000195509495 455973939 /nfs/dbraw/zinc/97/39/39/455973939.db2.gz YTFNCPMOHCLRTI-UHFFFAOYSA-N 1 0 332.429 3.436 20 5 EGBDRO COC[C@@]1(C)CC[N@@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000296577737 455979279 /nfs/dbraw/zinc/97/92/79/455979279.db2.gz DPPQRVGOVMOEOR-PXAZEXFGSA-N 1 0 346.387 3.064 20 5 EGBDRO C[C@@H]1CN(Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C[C@H]1[NH3+] ZINC000262079595 455993977 /nfs/dbraw/zinc/99/39/77/455993977.db2.gz SXHFXZBTRAAFHQ-MLGOLLRUSA-N 1 0 345.374 3.305 20 5 EGBDRO Cc1cc(F)c(NC(=O)NCCC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000296653723 456002175 /nfs/dbraw/zinc/00/21/75/456002175.db2.gz FPKKNGOKLIAQAL-UHFFFAOYSA-N 1 0 338.383 3.040 20 5 EGBDRO CCS[C@H]1CCC[C@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000286261448 456011737 /nfs/dbraw/zinc/01/17/37/456011737.db2.gz SRYCVKPFWWKRME-HIFRSBDPSA-N 1 0 337.445 3.187 20 5 EGBDRO C[C@@H](NC(=O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000296725005 456020217 /nfs/dbraw/zinc/02/02/17/456020217.db2.gz NJPHKPNVWFGXSW-NWDGAFQWSA-N 1 0 333.413 3.184 20 5 EGBDRO C[NH+](C)[C@@H](CNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000210296370 456021323 /nfs/dbraw/zinc/02/13/23/456021323.db2.gz VVLLWKPPLYGJJE-XMELGKRDSA-N 1 0 345.424 3.089 20 5 EGBDRO CCC(=O)c1ccc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c([N+](=O)[O-])c1 ZINC000280683269 456030055 /nfs/dbraw/zinc/03/00/55/456030055.db2.gz IRHSYZLADNPHIN-GJZGRUSLSA-N 1 0 331.416 3.108 20 5 EGBDRO CCC[N@H+](C)C[C@@H]1CCN(c2ccc(C(=O)CC)cc2[N+](=O)[O-])C1 ZINC000280793114 456053853 /nfs/dbraw/zinc/05/38/53/456053853.db2.gz UWHHZTMROHPAQA-AWEZNQCLSA-N 1 0 333.432 3.356 20 5 EGBDRO COC(=O)C1(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000188670789 456109355 /nfs/dbraw/zinc/10/93/55/456109355.db2.gz WOVFXGHWKJVZMW-UHFFFAOYSA-N 1 0 346.408 3.366 20 5 EGBDRO C[C@@H]1c2ccsc2CC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000272961179 456126237 /nfs/dbraw/zinc/12/62/37/456126237.db2.gz SFUFVHGSPWQOSN-CHWSQXEVSA-N 1 0 348.424 3.015 20 5 EGBDRO CN(CCC[NH+]1CCCC1)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000281219705 456168306 /nfs/dbraw/zinc/16/83/06/456168306.db2.gz DSKXFXXQSKFGCE-UHFFFAOYSA-N 1 0 344.415 3.168 20 5 EGBDRO CSCCC[N@H+](C)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000281232347 456173494 /nfs/dbraw/zinc/17/34/94/456173494.db2.gz CIIMRPLFRDFFDE-JTQLQIEISA-N 1 0 345.852 3.260 20 5 EGBDRO Cc1nc(N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000301686381 456186664 /nfs/dbraw/zinc/18/66/64/456186664.db2.gz XCVLVGISLCSFRQ-KRWDZBQOSA-N 1 0 340.427 3.399 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)cnc1NCC[N@@H+]1CCc2ccccc2C1 ZINC000301736137 456203095 /nfs/dbraw/zinc/20/30/95/456203095.db2.gz HMGTVDDYZXQZQI-UHFFFAOYSA-N 1 0 332.791 3.113 20 5 EGBDRO C[NH+]1CCC([C@@H]2CCN(c3nccc4cc([N+](=O)[O-])ccc43)C2)CC1 ZINC000297483641 456232293 /nfs/dbraw/zinc/23/22/93/456232293.db2.gz LWQWTEKHSXKLSB-MRXNPFEDSA-N 1 0 340.427 3.311 20 5 EGBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000301852337 456232369 /nfs/dbraw/zinc/23/23/69/456232369.db2.gz GNNPLJPCZBANIJ-GOEBONIOSA-N 1 0 340.427 3.433 20 5 EGBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CCC[C@H]1c1ccccc1 ZINC000297558186 456251574 /nfs/dbraw/zinc/25/15/74/456251574.db2.gz QHOBYVKRJUPMAH-ROUUACIJSA-N 1 0 341.411 3.025 20 5 EGBDRO Cc1cc(N(C)C[C@@H]2CCCC[C@H]2O)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302094559 456285966 /nfs/dbraw/zinc/28/59/66/456285966.db2.gz RGWWKUJKXYWPBV-SCLBCKFNSA-N 1 0 329.400 3.439 20 5 EGBDRO CC[NH+]1C[C@H](C)N(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H](C)C1 ZINC000347697310 456311291 /nfs/dbraw/zinc/31/12/91/456311291.db2.gz COHULBRYMHDVTB-KBPBESRZSA-N 1 0 344.415 3.164 20 5 EGBDRO CCC[NH+](CCC)CCCNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342922805 456316985 /nfs/dbraw/zinc/31/69/85/456316985.db2.gz YICXPSFFYLOBHQ-UHFFFAOYSA-N 1 0 346.431 3.318 20 5 EGBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342928357 456320330 /nfs/dbraw/zinc/32/03/30/456320330.db2.gz NBCAQTOQOYTMAN-ZDUSSCGKSA-N 1 0 344.415 3.023 20 5 EGBDRO Cc1cccc(C)c1C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000342930590 456321005 /nfs/dbraw/zinc/32/10/05/456321005.db2.gz IHCCCGLWPFYEHT-OAHLLOKOSA-N 1 0 326.400 3.293 20 5 EGBDRO CN(C[C@H]1CC[N@H+](C)[C@@H]1c1cccnc1)c1c(F)cccc1[N+](=O)[O-] ZINC000343015480 456357554 /nfs/dbraw/zinc/35/75/54/456357554.db2.gz MPDOHQZBEFHGSR-RHSMWYFYSA-N 1 0 344.390 3.258 20 5 EGBDRO CC1(C)C[N@@H+](C2(CNc3ncccc3[N+](=O)[O-])CCCCC2)CCO1 ZINC000343041470 456368634 /nfs/dbraw/zinc/36/86/34/456368634.db2.gz YUAIRLKUCUMLIC-UHFFFAOYSA-N 1 0 348.447 3.215 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC[C@H]1C[NH+]1CCCC1 ZINC000343092849 456402409 /nfs/dbraw/zinc/40/24/09/456402409.db2.gz QXGUAHUPEKRRNL-SFHVURJKSA-N 1 0 347.459 3.442 20 5 EGBDRO COc1cc(NCc2ccc(CC[NH+](C)C)cc2)c(F)cc1[N+](=O)[O-] ZINC000276266930 456429485 /nfs/dbraw/zinc/42/94/85/456429485.db2.gz GORUJYZEVYJNGE-UHFFFAOYSA-N 1 0 347.390 3.459 20 5 EGBDRO CCc1nn(C)c(NC[C@@H](CC(C)C)[NH+](CC)CC)c1[N+](=O)[O-] ZINC000353042634 456458625 /nfs/dbraw/zinc/45/86/25/456458625.db2.gz AZJGHBZPQBHDGI-CYBMUJFWSA-N 1 0 325.457 3.059 20 5 EGBDRO CC1(C)CN(CCNc2ccc([N+](=O)[O-])cc2C(F)(F)F)CCO1 ZINC000337653472 456460050 /nfs/dbraw/zinc/46/00/50/456460050.db2.gz NDJZGCRHKSFDTA-UHFFFAOYSA-N 1 0 347.337 3.136 20 5 EGBDRO CN(C[C@@H]1CCC[N@H+](C)C1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000303736299 456482352 /nfs/dbraw/zinc/48/23/52/456482352.db2.gz WRYBCKAIBMHAHZ-LLVKDONJSA-N 1 0 331.338 3.392 20 5 EGBDRO CCC1(C)CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000337704212 456493951 /nfs/dbraw/zinc/49/39/51/456493951.db2.gz YWEVMGKTKPOVIG-UHFFFAOYSA-N 1 0 349.431 3.444 20 5 EGBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)[C@@H]1CCc2ccccc2NC1=O ZINC000282377296 456494603 /nfs/dbraw/zinc/49/46/03/456494603.db2.gz FQUCFGCVAGIWHP-GOSISDBHSA-N 1 0 339.395 3.023 20 5 EGBDRO COc1cc(C[NH2+]Cc2ccc3[nH]c(C)cc3c2)c([N+](=O)[O-])cc1O ZINC000353132063 456513479 /nfs/dbraw/zinc/51/34/79/456513479.db2.gz ZYBAGLJRPRDGGY-UHFFFAOYSA-N 1 0 341.367 3.389 20 5 EGBDRO O=[N+]([O-])c1cc2ccccc2nc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000276562601 456516175 /nfs/dbraw/zinc/51/61/75/456516175.db2.gz GNRYWASLMORXLS-OAHLLOKOSA-N 1 0 326.400 3.208 20 5 EGBDRO COC1CC[NH+](C2(CNc3cc(C)c([N+](=O)[O-])cn3)CCCC2)CC1 ZINC000348185015 456522522 /nfs/dbraw/zinc/52/25/22/456522522.db2.gz XZVXUNJVHCPFNX-UHFFFAOYSA-N 1 0 348.447 3.134 20 5 EGBDRO CC[C@@H]([NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C)C1CCOCC1 ZINC000343382827 456576230 /nfs/dbraw/zinc/57/62/30/456576230.db2.gz RWGPLLPXAFYYBU-OAHLLOKOSA-N 1 0 349.431 3.027 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000277088846 456676337 /nfs/dbraw/zinc/67/63/37/456676337.db2.gz NMSCWLCFJGRMLT-AWEZNQCLSA-N 1 0 334.420 3.160 20 5 EGBDRO CN(C(=O)C[NH2+]C(C)(C)c1cccs1)c1ccc([N+](=O)[O-])cc1 ZINC000348416556 456676372 /nfs/dbraw/zinc/67/63/72/456676372.db2.gz SBLHTGZXNPAMGF-UHFFFAOYSA-N 1 0 333.413 3.144 20 5 EGBDRO C[C@H]1CCCC[N@@H+]1CCCNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000325537063 456684271 /nfs/dbraw/zinc/68/42/71/456684271.db2.gz RGSCTJPHJWJPHG-ZDUSSCGKSA-N 1 0 329.404 3.214 20 5 EGBDRO CCS[C@H]1CCC[C@@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000348468337 456701351 /nfs/dbraw/zinc/70/13/51/456701351.db2.gz JONORJFDSWAGIP-GJZGRUSLSA-N 1 0 337.445 3.187 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1CN(C)CCC[N@H+](C)Cc1ccco1 ZINC000353549932 456752013 /nfs/dbraw/zinc/75/20/13/456752013.db2.gz LQGWYCATQRMMSP-UHFFFAOYSA-N 1 0 347.415 3.150 20 5 EGBDRO COc1ccc(CC[C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1O ZINC000277336152 456783319 /nfs/dbraw/zinc/78/33/19/456783319.db2.gz XSNMOQBQMKAQET-CYBMUJFWSA-N 1 0 330.384 3.420 20 5 EGBDRO C[C@H]1C[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC(C)(C)C1 ZINC000344048570 456792750 /nfs/dbraw/zinc/79/27/50/456792750.db2.gz YZZIYPSTXSMCMX-CZUORRHYSA-N 1 0 331.416 3.068 20 5 EGBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000301166986 456811660 /nfs/dbraw/zinc/81/16/60/456811660.db2.gz CNHHIGPZYAPMAU-GFCCVEGCSA-N 1 0 332.429 3.218 20 5 EGBDRO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(C(=O)N(C)C)cc1 ZINC000292126765 456862461 /nfs/dbraw/zinc/86/24/61/456862461.db2.gz LETNBDQAGBANGE-ZDUSSCGKSA-N 1 0 327.384 3.147 20 5 EGBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cnn(CC(F)(F)F)c1 ZINC000338957775 456877664 /nfs/dbraw/zinc/87/76/64/456877664.db2.gz LFBOONCLTJETBR-UHFFFAOYSA-N 1 0 342.321 3.028 20 5 EGBDRO O=[N+]([O-])c1ccccc1OCC[N@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000339030795 456907655 /nfs/dbraw/zinc/90/76/55/456907655.db2.gz ZGIFIDIMMDRGIH-UHFFFAOYSA-N 1 0 340.379 3.469 20 5 EGBDRO C[N@@H+]1CCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C(C)(C)C1 ZINC000339060283 456921862 /nfs/dbraw/zinc/92/18/62/456921862.db2.gz OYNAFPITXSUKJQ-UHFFFAOYSA-N 1 0 331.338 3.140 20 5 EGBDRO C[NH+](C)CCN(C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)C1CCCC1 ZINC000353842895 456931996 /nfs/dbraw/zinc/93/19/96/456931996.db2.gz HGGLYJKILGBYIJ-UHFFFAOYSA-N 1 0 344.415 3.023 20 5 EGBDRO C[C@@H](CO)[N@H+](C)Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000349303901 456937114 /nfs/dbraw/zinc/93/71/14/456937114.db2.gz ZLJQICIHHKHJLJ-AWEZNQCLSA-N 1 0 329.400 3.175 20 5 EGBDRO O=C(NCCNc1cc[nH+]cc1)c1cc2ccccc2c2cccnc12 ZINC000341870072 456979539 /nfs/dbraw/zinc/97/95/39/456979539.db2.gz LDEWOYPLDFKAJR-UHFFFAOYSA-N 1 0 342.402 3.047 20 5 EGBDRO Cc1cccc(C(=O)N(C)CC[N@H+](C)C2CCCCC2)c1[N+](=O)[O-] ZINC000330507467 457050537 /nfs/dbraw/zinc/05/05/37/457050537.db2.gz NBFFRRMJIPYLPG-UHFFFAOYSA-N 1 0 333.432 3.240 20 5 EGBDRO Cc1cnc(N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000346645202 457089671 /nfs/dbraw/zinc/08/96/71/457089671.db2.gz BHLJALBKHYEQBB-HZPDHXFCSA-N 1 0 340.427 3.397 20 5 EGBDRO CC[N@@H+]1C[C@H](C)N(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000346734509 457136869 /nfs/dbraw/zinc/13/68/69/457136869.db2.gz YQDLTTHVXPJIPB-OLZOCXBDSA-N 1 0 334.420 3.158 20 5 EGBDRO Cc1ccc(C(=O)N2CC[NH+](C3CCC(C)CC3)CC2)cc1[N+](=O)[O-] ZINC000360002383 457195616 /nfs/dbraw/zinc/19/56/16/457195616.db2.gz FROVYCVVLXNUEC-UHFFFAOYSA-N 1 0 345.443 3.240 20 5 EGBDRO Cc1c(C(=O)N2CCC[C@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)cccc1[N+](=O)[O-] ZINC000347054226 457205987 /nfs/dbraw/zinc/20/59/87/457205987.db2.gz KIESCOYSXOSQLL-LZWOXQAQSA-N 1 0 345.443 3.381 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H](CO)CC(F)(F)F)o2)cc1 ZINC000339795703 457275070 /nfs/dbraw/zinc/27/50/70/457275070.db2.gz UOYXYBAGJHYHJQ-NSHDSACASA-N 1 0 344.289 3.258 20 5 EGBDRO C[C@H]1CC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC12CCC2 ZINC000357028334 457285445 /nfs/dbraw/zinc/28/54/45/457285445.db2.gz UNIMAVZMDIDDFU-WMLDXEAASA-N 1 0 343.427 3.212 20 5 EGBDRO CC[N@@H+]1CCC[C@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000332228291 457332593 /nfs/dbraw/zinc/33/25/93/457332593.db2.gz NMIOIWBUKFCBQV-LBPRGKRZSA-N 1 0 333.413 3.024 20 5 EGBDRO CCC(C)(C)[NH2+][C@H](C)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000357137122 457341172 /nfs/dbraw/zinc/34/11/72/457341172.db2.gz CEVTYJYIQKXBSI-CYBMUJFWSA-N 1 0 333.432 3.253 20 5 EGBDRO C[NH+](C)[C@@H](CNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)c1ccccc1 ZINC000347320317 457351165 /nfs/dbraw/zinc/35/11/65/457351165.db2.gz WVUIEXXISOEAEG-INIZCTEOSA-N 1 0 346.362 3.158 20 5 EGBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)C[C@H]1C ZINC000355256067 457351398 /nfs/dbraw/zinc/35/13/98/457351398.db2.gz QJRTZCZJCAVPEZ-ZIAGYGMSSA-N 1 0 333.432 3.075 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000332364090 457356051 /nfs/dbraw/zinc/35/60/51/457356051.db2.gz DGMMMHMTLWZBSA-GJZGRUSLSA-N 1 0 346.431 3.065 20 5 EGBDRO CC(=O)N[C@H](C)C1CC[NH+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000347370185 457380838 /nfs/dbraw/zinc/38/08/38/457380838.db2.gz ITWICZSXYMTOKK-QKXCFHHRSA-N 1 0 345.443 3.235 20 5 EGBDRO CC1CCC([N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000342686600 457456895 /nfs/dbraw/zinc/45/68/95/457456895.db2.gz APNWBFNTKQPXPP-DQPZFDDXSA-N 1 0 348.443 3.378 20 5 EGBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC1(C)CC[NH+](C)CC1 ZINC000360953831 457462030 /nfs/dbraw/zinc/46/20/30/457462030.db2.gz JHIULXNEEODTBH-INIZCTEOSA-N 1 0 347.459 3.012 20 5 EGBDRO C[S@](=O)C[C@@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000360964731 457472040 /nfs/dbraw/zinc/47/20/40/457472040.db2.gz XHOVSHLPHOTYNZ-JIPKSBCVSA-N 1 0 344.436 3.317 20 5 EGBDRO Cn1cnc([N+](=O)[O-])c1S[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000425286724 457482799 /nfs/dbraw/zinc/48/27/99/457482799.db2.gz UWNWMNIQBJXRRL-AWEZNQCLSA-N 1 0 332.429 3.085 20 5 EGBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000361044679 457538487 /nfs/dbraw/zinc/53/84/87/457538487.db2.gz JDVZMTLNEPVXGG-TZMCWYRMSA-N 1 0 335.452 3.185 20 5 EGBDRO Cc1c(NC(=O)CC[N@@H+](C)CCC(F)(F)F)cccc1[N+](=O)[O-] ZINC000357472055 457550451 /nfs/dbraw/zinc/55/04/51/457550451.db2.gz PSHNVNHNXDFGQI-UHFFFAOYSA-N 1 0 333.310 3.116 20 5 EGBDRO C[C@@]1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCN(Cc2ccccc2)C1 ZINC000406033183 457554346 /nfs/dbraw/zinc/55/43/46/457554346.db2.gz OMEVPYMXTWJCOR-LJQANCHMSA-N 1 0 325.412 3.349 20 5 EGBDRO C[C@@]1(NCc2csc([N+](=O)[O-])c2)CC[N@H+](Cc2ccccc2)C1 ZINC000406121694 457555173 /nfs/dbraw/zinc/55/51/73/457555173.db2.gz RRDXWWRQEDIGQY-QGZVFWFLSA-N 1 0 331.441 3.411 20 5 EGBDRO CC[N@@H+](Cc1ccc(Br)cc1[N+](=O)[O-])C[C@@H](C)OC ZINC000425450133 457560027 /nfs/dbraw/zinc/56/00/27/457560027.db2.gz UOGXVKBDMQXSGM-SNVBAGLBSA-N 1 0 331.210 3.214 20 5 EGBDRO COc1cc(C[NH2+]CCC(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000352728976 457565078 /nfs/dbraw/zinc/56/50/78/457565078.db2.gz UIQCCLHTATUANC-UHFFFAOYSA-N 1 0 332.347 3.383 20 5 EGBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(c2c3c(ccc2[N+](=O)[O-])NCC3)C1 ZINC000408406056 457568343 /nfs/dbraw/zinc/56/83/43/457568343.db2.gz PIFFXHQYXKYVMD-QLFBSQMISA-N 1 0 344.459 3.404 20 5 EGBDRO C[C@@H](CCO)[N@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000357553275 457592013 /nfs/dbraw/zinc/59/20/13/457592013.db2.gz OVXVQDXOQYPYJK-INIZCTEOSA-N 1 0 344.411 3.247 20 5 EGBDRO CCc1cnccc1[C@H](C)[NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000361138168 457607930 /nfs/dbraw/zinc/60/79/30/457607930.db2.gz ZIMRQDJNKPNMNE-ZDUSSCGKSA-N 1 0 342.399 3.150 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000374410079 457617408 /nfs/dbraw/zinc/61/74/08/457617408.db2.gz GEMRGMGZHYIBMJ-LSDHHAIUSA-N 1 0 334.416 3.240 20 5 EGBDRO COC1CC[NH+](C2(CNc3ncc(C)cc3[N+](=O)[O-])CCCC2)CC1 ZINC000361264089 457671890 /nfs/dbraw/zinc/67/18/90/457671890.db2.gz XYKMWAOJLIBMAP-UHFFFAOYSA-N 1 0 348.447 3.134 20 5 EGBDRO Cc1noc(C2(C)CC[NH+]([C@H](C)c3ccccc3[N+](=O)[O-])CC2)n1 ZINC000357805756 457696932 /nfs/dbraw/zinc/69/69/32/457696932.db2.gz NCAMTZLWHPXULG-GFCCVEGCSA-N 1 0 330.388 3.401 20 5 EGBDRO Cc1ccccc1[C@H]([C@H](C)NC(=O)c1ccc([N+](=O)[O-])s1)[NH+](C)C ZINC000357844845 457709109 /nfs/dbraw/zinc/70/91/09/457709109.db2.gz CQCMJGXJLADJNO-LRDDRELGSA-N 1 0 347.440 3.386 20 5 EGBDRO C[N@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)[C@H]1CCC(C)(C)C1 ZINC000361468162 457741603 /nfs/dbraw/zinc/74/16/03/457741603.db2.gz IEHYLLDKWUDBIR-AWEZNQCLSA-N 1 0 347.415 3.403 20 5 EGBDRO CCC1(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCOCC1 ZINC000426304212 457802654 /nfs/dbraw/zinc/80/26/54/457802654.db2.gz QMUYGMCWMANSDX-HUUCEWRRSA-N 1 0 336.436 3.071 20 5 EGBDRO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@H]2C(C)(C)C)c([N+](=O)[O-])c1 ZINC000411234096 457838213 /nfs/dbraw/zinc/83/82/13/457838213.db2.gz DPRISHFRIXNFML-INIZCTEOSA-N 1 0 349.431 3.443 20 5 EGBDRO O=C(N[C@@H]1CC12CC[NH2+]CC2)c1cc2ccccc2c2cccnc12 ZINC000366558630 457851343 /nfs/dbraw/zinc/85/13/43/457851343.db2.gz WLDKLYXLNJPUFK-GOSISDBHSA-N 1 0 331.419 3.260 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H](C)[C@@H]1C ZINC000411318328 457856051 /nfs/dbraw/zinc/85/60/51/457856051.db2.gz ZFCWKJSTQHNQPF-OLZOCXBDSA-N 1 0 335.404 3.052 20 5 EGBDRO CC[C@H]([NH2+][C@H](CO)Cc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000358234923 457876623 /nfs/dbraw/zinc/87/66/23/457876623.db2.gz HEXJUQIQFODCLM-WMZOPIPTSA-N 1 0 332.375 3.378 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@@H]1CCCC[C@H]1C ZINC000411618066 457929963 /nfs/dbraw/zinc/92/99/63/457929963.db2.gz VZUSZLVKCUSKPH-CZUORRHYSA-N 1 0 349.431 3.443 20 5 EGBDRO CC[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCCC[C@@H]1C ZINC000444660229 457930891 /nfs/dbraw/zinc/93/08/91/457930891.db2.gz FTGYEEJGTVTKCN-HRCADAONSA-N 1 0 336.432 3.235 20 5 EGBDRO CCC1(CC)[C@H](OC)C[C@@H]1[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444667639 457932227 /nfs/dbraw/zinc/93/22/27/457932227.db2.gz YOXSABCFOIHRPL-JKSUJKDBSA-N 1 0 346.431 3.497 20 5 EGBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000371444045 457933812 /nfs/dbraw/zinc/93/38/12/457933812.db2.gz VKDKAEBXLMOIFG-HOTGVXAUSA-N 1 0 334.416 3.112 20 5 EGBDRO Cc1c(C[N@@H+]2CCCN(c3ncccc3F)CC2)cccc1[N+](=O)[O-] ZINC000375532273 457963503 /nfs/dbraw/zinc/96/35/03/457963503.db2.gz PQKOHUJYYIUDNQ-UHFFFAOYSA-N 1 0 344.390 3.150 20 5 EGBDRO CC(C)c1ccc(C(=O)NCC[C@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000458222288 457976670 /nfs/dbraw/zinc/97/66/70/457976670.db2.gz QMMBFAVBDWJWNI-CQSZACIVSA-N 1 0 333.432 3.180 20 5 EGBDRO COc1ccc(NC(=O)CC[NH2+][C@@]2(C)CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000411815600 457985662 /nfs/dbraw/zinc/98/56/62/457985662.db2.gz JYGKCTYGJLBNNP-ACJLOTCBSA-N 1 0 349.431 3.490 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCCC(C)(C)C1 ZINC000446074841 458142310 /nfs/dbraw/zinc/14/23/10/458142310.db2.gz ZEBAXBVWCQYELP-UHFFFAOYSA-N 1 0 349.431 3.444 20 5 EGBDRO C[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1CCC(C)(C)CC1 ZINC000446744261 458224745 /nfs/dbraw/zinc/22/47/45/458224745.db2.gz XYASTEYEGJULIP-INIZCTEOSA-N 1 0 336.432 3.235 20 5 EGBDRO C[C@@H](C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)CC1CCOCC1 ZINC000446848124 458236279 /nfs/dbraw/zinc/23/62/79/458236279.db2.gz FGQAVSFNGYRGJT-GFCCVEGCSA-N 1 0 332.404 3.014 20 5 EGBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2CCCC[C@@H]21 ZINC000362584115 458283946 /nfs/dbraw/zinc/28/39/46/458283946.db2.gz QUVWYOSPOSMFJI-BBWFWOEESA-N 1 0 340.427 3.487 20 5 EGBDRO C[C@@H]1CCC[N@H+](CCNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000436312244 458287745 /nfs/dbraw/zinc/28/77/45/458287745.db2.gz ULVGGPMGPKCJKW-SNVBAGLBSA-N 1 0 332.326 3.152 20 5 EGBDRO COCc1ccc(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000447536069 458306335 /nfs/dbraw/zinc/30/63/35/458306335.db2.gz KVIHLANAHAHQKI-IAGOWNOFSA-N 1 0 344.415 3.211 20 5 EGBDRO CC(C)[C@@H]1C[N@H+](C)CCN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000436485512 458311855 /nfs/dbraw/zinc/31/18/55/458311855.db2.gz OZLFMPSWCJZYSZ-KRWDZBQOSA-N 1 0 344.415 3.022 20 5 EGBDRO Cc1ccsc1CC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447572227 458314145 /nfs/dbraw/zinc/31/41/45/458314145.db2.gz AJFHCZXFUFKUID-KGLIPLIRSA-N 1 0 334.445 3.477 20 5 EGBDRO Cc1ccc(C[C@H](CO)[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000447598546 458319295 /nfs/dbraw/zinc/31/92/95/458319295.db2.gz VMQHKYSXPSZUOI-YLJYHZDGSA-N 1 0 340.423 3.474 20 5 EGBDRO Cc1cccc(C[C@H](CO)[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000447599783 458319385 /nfs/dbraw/zinc/31/93/85/458319385.db2.gz YREGHTKJMFDXES-XLIONFOSSA-N 1 0 340.423 3.474 20 5 EGBDRO C[C@@H]1C[C@H](CC[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCO1 ZINC000447602955 458320184 /nfs/dbraw/zinc/32/01/84/458320184.db2.gz URLZQPCNTQDXLA-LVQVYYBASA-N 1 0 336.436 3.070 20 5 EGBDRO CCOc1cc(CN2CC[N@@H+](C3CCC3)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000429403318 458329473 /nfs/dbraw/zinc/32/94/73/458329473.db2.gz DWRZAIBKSUEALO-OAHLLOKOSA-N 1 0 347.459 3.300 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CC3CCC(F)(F)CC3)C2)nc1 ZINC000459370676 458346958 /nfs/dbraw/zinc/34/69/58/458346958.db2.gz GFJMDQTUXOWFIF-ZDUSSCGKSA-N 1 0 340.374 3.302 20 5 EGBDRO CCOc1ccc(NC(=O)C[N@H+](C)[C@H]2CC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000429596822 458351717 /nfs/dbraw/zinc/35/17/17/458351717.db2.gz ZUGAVVQFPMCHSH-OLZOCXBDSA-N 1 0 335.404 3.052 20 5 EGBDRO C[C@H](NC(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000447991434 458375784 /nfs/dbraw/zinc/37/57/84/458375784.db2.gz UXUKWCSAKOAQAW-BBRMVZONSA-N 1 0 348.447 3.075 20 5 EGBDRO Cc1ccccc1[C@H](C)[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000459504995 458394457 /nfs/dbraw/zinc/39/44/57/458394457.db2.gz INKCOYDAYBFFHV-HNNXBMFYSA-N 1 0 326.400 3.181 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1CN1CCO[C@H](c2ccc(F)cc2)C1 ZINC000430198265 458419591 /nfs/dbraw/zinc/41/95/91/458419591.db2.gz QRSRYGDPFCDWTH-SFHVURJKSA-N 1 0 346.358 3.316 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1CN[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000430220459 458424251 /nfs/dbraw/zinc/42/42/51/458424251.db2.gz QDPCSQIURGGXOU-GOEBONIOSA-N 1 0 347.459 3.346 20 5 EGBDRO C[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1nc2c(s1)CCC2 ZINC000459638823 458432962 /nfs/dbraw/zinc/43/29/62/458432962.db2.gz UNCGHUMXAAPNLX-LLVKDONJSA-N 1 0 333.413 3.270 20 5 EGBDRO O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000437852391 458502419 /nfs/dbraw/zinc/50/24/19/458502419.db2.gz LSKPQHRCYBAKFC-KRWDZBQOSA-N 1 0 331.416 3.122 20 5 EGBDRO Cc1cc(C(=O)Nc2nc(C3CC[NH2+]CC3)cs2)ccc1[N+](=O)[O-] ZINC000423976998 458528217 /nfs/dbraw/zinc/52/82/17/458528217.db2.gz HNIOSOXGXSEZNR-UHFFFAOYSA-N 1 0 346.412 3.079 20 5 EGBDRO COC(=O)[C@@](C)(C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000468905147 458543284 /nfs/dbraw/zinc/54/32/84/458543284.db2.gz HCMIJBBRTYMUFS-LIRRHRJNSA-N 1 0 342.395 3.376 20 5 EGBDRO O=[N+]([O-])c1cc2ccccc2nc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000373695288 458574670 /nfs/dbraw/zinc/57/46/70/458574670.db2.gz HWDLYCALJIAZGM-OAHLLOKOSA-N 1 0 326.400 3.208 20 5 EGBDRO Cc1cc(N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(F)cc1[N+](=O)[O-] ZINC000461934417 458579887 /nfs/dbraw/zinc/57/98/87/458579887.db2.gz GRQWLTVRYJOXIP-CJNGLKHVSA-N 1 0 333.407 3.495 20 5 EGBDRO Cc1cc(N2CC[C@@](CO)(C(C)C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000377981040 458587932 /nfs/dbraw/zinc/58/79/32/458587932.db2.gz DLHKVJPGRJEJBL-GOSISDBHSA-N 1 0 329.400 3.296 20 5 EGBDRO COc1cc(N2CC[NH+](Cc3ccccc3C)CC2)ccc1[N+](=O)[O-] ZINC000462117457 458594611 /nfs/dbraw/zinc/59/46/11/458594611.db2.gz BWWXJBBNQQJZDH-UHFFFAOYSA-N 1 0 341.411 3.234 20 5 EGBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC000462607152 458634591 /nfs/dbraw/zinc/63/45/91/458634591.db2.gz NJTBZJFSVLGPHY-HLLBOEOZSA-N 1 0 347.459 3.105 20 5 EGBDRO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494489889 458687902 /nfs/dbraw/zinc/68/79/02/458687902.db2.gz BOQVKUQQEOVLRD-JRPNMDOOSA-N 1 0 345.365 3.432 20 5 EGBDRO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494489890 458688565 /nfs/dbraw/zinc/68/85/65/458688565.db2.gz BOQVKUQQEOVLRD-UEKVPHQBSA-N 1 0 345.365 3.432 20 5 EGBDRO C[C@@H]1C[N@H+](CCCNc2ccnc3c2cccc3[N+](=O)[O-])CCCO1 ZINC000432140266 458689066 /nfs/dbraw/zinc/68/90/66/458689066.db2.gz PJZPIYQMFNDVRL-CQSZACIVSA-N 1 0 344.415 3.056 20 5 EGBDRO CCC[C@@H]1[C@H](C)CCC[N@@H+]1CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000464742053 458766331 /nfs/dbraw/zinc/76/63/31/458766331.db2.gz WCBPZJMIRKBQKP-CZUORRHYSA-N 1 0 349.431 3.443 20 5 EGBDRO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2c[nH]nc2-c2ccsc2)cc1 ZINC000547704151 458775708 /nfs/dbraw/zinc/77/57/08/458775708.db2.gz FPLOGKJOERPJQN-UHFFFAOYSA-N 1 0 344.396 3.215 20 5 EGBDRO O=[N+]([O-])c1ccn(CC[N@H+](CCc2cccc(F)c2)C2CCCC2)n1 ZINC000464895600 458789591 /nfs/dbraw/zinc/78/95/91/458789591.db2.gz NBDZGLIWOCZDGG-UHFFFAOYSA-N 1 0 346.406 3.418 20 5 EGBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000457108673 458870104 /nfs/dbraw/zinc/87/01/04/458870104.db2.gz GCBXEVLCIXXKLN-AWEZNQCLSA-N 1 0 347.440 3.364 20 5 EGBDRO COc1ccc(OCC[N@@H+]2CCC[C@@H]2c2ccccn2)c([N+](=O)[O-])c1 ZINC000531201864 458887969 /nfs/dbraw/zinc/88/79/69/458887969.db2.gz QNOKFPYWUICEDA-MRXNPFEDSA-N 1 0 343.383 3.214 20 5 EGBDRO CC(C)(C)OCCCC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000475049530 458915285 /nfs/dbraw/zinc/91/52/85/458915285.db2.gz RKMOQVVFUSICHW-UHFFFAOYSA-N 1 0 335.448 3.312 20 5 EGBDRO C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000495752592 458942309 /nfs/dbraw/zinc/94/23/09/458942309.db2.gz JBAPEJYLBWVCFE-OLZOCXBDSA-N 1 0 337.420 3.376 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000475563415 458951361 /nfs/dbraw/zinc/95/13/61/458951361.db2.gz FYTURDFJHODWBV-DOMZBBRYSA-N 1 0 348.447 3.454 20 5 EGBDRO O=C(c1cccc([N+](=O)[O-])c1)N(CC[NH+]1CCCC1)c1ccccc1 ZINC000566589614 458965741 /nfs/dbraw/zinc/96/57/41/458965741.db2.gz HIGIVWCNHVYYTR-UHFFFAOYSA-N 1 0 339.395 3.337 20 5 EGBDRO COc1ccc(C[NH+](C)C)cc1NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000520233470 459042543 /nfs/dbraw/zinc/04/25/43/459042543.db2.gz YZZIXICKVBIFIQ-UHFFFAOYSA-N 1 0 347.346 3.056 20 5 EGBDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000520310890 459048721 /nfs/dbraw/zinc/04/87/21/459048721.db2.gz QWLPIECYPVFYKR-AWEZNQCLSA-N 1 0 333.432 3.225 20 5 EGBDRO CC[C@H]([NH2+][C@H]1CC[C@@](O)(C(F)(F)F)C1)c1cccc([N+](=O)[O-])c1 ZINC000589950200 459056626 /nfs/dbraw/zinc/05/66/26/459056626.db2.gz YRNCGYJQEULOGZ-UBHSHLNASA-N 1 0 332.322 3.481 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(C2CC2)CC1 ZINC000590008100 459065929 /nfs/dbraw/zinc/06/59/29/459065929.db2.gz DHMLNYGPIJVVIV-UHFFFAOYSA-N 1 0 331.416 3.354 20 5 EGBDRO C[C@@H]([NH2+][C@@H](COC(N)=O)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000496099006 459067408 /nfs/dbraw/zinc/06/74/08/459067408.db2.gz LBSCFUQQXXREEQ-CZUORRHYSA-N 1 0 343.383 3.366 20 5 EGBDRO C[C@@H]([NH2+][C@@H]1CCc2ccccc2NC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000594511788 459069695 /nfs/dbraw/zinc/06/96/95/459069695.db2.gz PGOZSHWSYNZFKM-SJKOYZFVSA-N 1 0 325.368 3.199 20 5 EGBDRO CC(C)[C@@H](C[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000594519998 459077064 /nfs/dbraw/zinc/07/70/64/459077064.db2.gz VWIYHRSYNDOXAF-GFCCVEGCSA-N 1 0 328.434 3.360 20 5 EGBDRO COC(C)(C)C[C@H](C)[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000532522577 459104384 /nfs/dbraw/zinc/10/43/84/459104384.db2.gz GTOBZHBADSMLPU-OLZOCXBDSA-N 1 0 337.420 3.105 20 5 EGBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000532698656 459131430 /nfs/dbraw/zinc/13/14/30/459131430.db2.gz JWGRDQQTIZYUQL-FCEWJHQRSA-N 1 0 331.460 3.475 20 5 EGBDRO COC(=O)N1CCC([C@H](C)[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000496338925 459156248 /nfs/dbraw/zinc/15/62/48/459156248.db2.gz FLQGIXVBGIDOAH-BLLLJJGKSA-N 1 0 347.415 3.039 20 5 EGBDRO CC(C)C[C@H]1CCCCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000532974133 459167532 /nfs/dbraw/zinc/16/75/32/459167532.db2.gz SRIGVGQKPBUNJX-MRXNPFEDSA-N 1 0 333.432 3.484 20 5 EGBDRO CC[C@@H](C)[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000532968211 459168787 /nfs/dbraw/zinc/16/87/87/459168787.db2.gz YAKSCINQUJDVGI-CJNGLKHVSA-N 1 0 349.431 3.443 20 5 EGBDRO Cc1ccc(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])c(C)c1 ZINC000558573361 459174699 /nfs/dbraw/zinc/17/46/99/459174699.db2.gz IVSFAGQEYUTLRI-UHFFFAOYSA-N 1 0 327.384 3.330 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]CC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000480266948 459191386 /nfs/dbraw/zinc/19/13/86/459191386.db2.gz QXKWDDYTEOGDAD-XHSDSOJGSA-N 1 0 349.475 3.442 20 5 EGBDRO CCO[C@H]1C[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C12CCCC2 ZINC000590739050 459200731 /nfs/dbraw/zinc/20/07/31/459200731.db2.gz JPPJMBSFQITSST-CVEARBPZSA-N 1 0 344.415 3.299 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000594992223 459208385 /nfs/dbraw/zinc/20/83/85/459208385.db2.gz DFYOXWFSZOTDFG-SBNBMVPLSA-N 1 0 345.443 3.235 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCCOCC(F)(F)F ZINC000595007883 459213947 /nfs/dbraw/zinc/21/39/47/459213947.db2.gz QMZFVHPKSJAYPH-JTQLQIEISA-N 1 0 336.310 3.223 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCCCn1ccnc1C ZINC000595026560 459220706 /nfs/dbraw/zinc/22/07/06/459220706.db2.gz PPFUGEFHZJPWDJ-ZDUSSCGKSA-N 1 0 332.404 3.239 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CC[C@@](O)(C(F)(F)F)C1 ZINC000595037091 459224550 /nfs/dbraw/zinc/22/45/50/459224550.db2.gz BKUVUEGERZBYAE-RBZYPMLTSA-N 1 0 348.321 3.100 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H]1CCCCN1C1CC1 ZINC000595044121 459226691 /nfs/dbraw/zinc/22/66/91/459226691.db2.gz KZGCCGLJXRAJLY-CZUORRHYSA-N 1 0 333.432 3.271 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCCN2CCCC[C@@H]12 ZINC000595047771 459228424 /nfs/dbraw/zinc/22/84/24/459228424.db2.gz SWKNPXAXUNBJMK-XKQJLSEDSA-N 1 0 333.432 3.271 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H](C)C(=O)OC(C)(C)C ZINC000595047794 459228488 /nfs/dbraw/zinc/22/84/88/459228488.db2.gz TZAIADRAJZHSTD-NWDGAFQWSA-N 1 0 338.404 3.232 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](CO)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000481169879 459236429 /nfs/dbraw/zinc/23/64/29/459236429.db2.gz JLOJUONXMMWMLO-RDJZCZTQSA-N 1 0 328.412 3.405 20 5 EGBDRO CO[C@H](C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)C1CCCC1 ZINC000595095038 459243030 /nfs/dbraw/zinc/24/30/30/459243030.db2.gz OOIDQUGKMYYPLI-OWCLPIDISA-N 1 0 336.436 3.070 20 5 EGBDRO C[C@H](c1ccccc1)[C@H](O)C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000595109946 459247824 /nfs/dbraw/zinc/24/78/24/459247824.db2.gz XKPOHCQUGQGMDF-XVGQJIODSA-N 1 0 326.396 3.336 20 5 EGBDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595334319 459278937 /nfs/dbraw/zinc/27/89/37/459278937.db2.gz MNDSZYWGJJOQBO-GOSISDBHSA-N 1 0 343.402 3.440 20 5 EGBDRO O=[N+]([O-])c1cc(F)ccc1CN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000595386658 459288043 /nfs/dbraw/zinc/28/80/43/459288043.db2.gz KCQVFWHXQZEVEJ-DYVFJYSZSA-N 1 0 333.407 3.183 20 5 EGBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000560019373 459292368 /nfs/dbraw/zinc/29/23/68/459292368.db2.gz AXCWVKCSASGBMQ-HNNXBMFYSA-N 1 0 347.459 3.205 20 5 EGBDRO Cc1noc(CN[C@H](C[N@H+](C)Cc2ccccc2)C(C)C)c1[N+](=O)[O-] ZINC000595439681 459302193 /nfs/dbraw/zinc/30/21/93/459302193.db2.gz JZVGUHUHKWTXAU-MRXNPFEDSA-N 1 0 346.431 3.137 20 5 EGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCN1CC[C@@H](C)C1 ZINC000534329399 459315895 /nfs/dbraw/zinc/31/58/95/459315895.db2.gz QPRIWOYTEZUGQQ-CABCVRRESA-N 1 0 337.489 3.397 20 5 EGBDRO Cc1ccc([C@@H](C)NC(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000595543251 459340977 /nfs/dbraw/zinc/34/09/77/459340977.db2.gz IYUPNNDHUGGXAJ-UKRRQHHQSA-N 1 0 348.447 3.136 20 5 EGBDRO [NH3+]Cc1cccc(NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)c1 ZINC000591309756 459350414 /nfs/dbraw/zinc/35/04/14/459350414.db2.gz FZZUFTIDQFKVFA-UHFFFAOYSA-N 1 0 342.399 3.198 20 5 EGBDRO CCC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000524892783 459402221 /nfs/dbraw/zinc/40/22/21/459402221.db2.gz NAXVGPNXQCBYFQ-KSZLIROESA-N 1 0 348.443 3.499 20 5 EGBDRO C[C@@H](C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000582652427 459402352 /nfs/dbraw/zinc/40/23/52/459402352.db2.gz SMMXXDVUNFHZHH-ZNMIVQPWSA-N 1 0 345.443 3.347 20 5 EGBDRO O=[N+]([O-])c1cccc(F)c1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000561111616 459420876 /nfs/dbraw/zinc/42/08/76/459420876.db2.gz GMQMZTOZUZQMMT-UHFFFAOYSA-N 1 0 329.375 3.446 20 5 EGBDRO C[C@@]1(c2ccccc2)C[C@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000591744342 459428508 /nfs/dbraw/zinc/42/85/08/459428508.db2.gz VTGNWSCAKSXZLV-MJGOQNOKSA-N 1 0 339.395 3.243 20 5 EGBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)c1 ZINC000595787691 459441028 /nfs/dbraw/zinc/44/10/28/459441028.db2.gz GIWOLXGFTVMZRS-QAPCUYQASA-N 1 0 334.416 3.255 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C(C)(C)C)C1 ZINC000541386642 459450959 /nfs/dbraw/zinc/45/09/59/459450959.db2.gz GCIGNVLRGAEPBJ-CHWSQXEVSA-N 1 0 349.431 3.298 20 5 EGBDRO CC(C)(C)C[N@H+](CCO)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000591844712 459453679 /nfs/dbraw/zinc/45/36/79/459453679.db2.gz GFBVOMWWGHZTAQ-UHFFFAOYSA-N 1 0 345.237 3.198 20 5 EGBDRO CC(C)[N@H+](C)CC1CCN(c2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC000596085241 459515274 /nfs/dbraw/zinc/51/52/74/459515274.db2.gz KPFHUNFSFATNID-UHFFFAOYSA-N 1 0 326.828 3.200 20 5 EGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccnn1CC ZINC000596097564 459520001 /nfs/dbraw/zinc/52/00/01/459520001.db2.gz ZPIGIJAPXJXJAC-ZDUSSCGKSA-N 1 0 334.445 3.472 20 5 EGBDRO CC(C)[NH2+]C1CCN(c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000596103079 459522089 /nfs/dbraw/zinc/52/20/89/459522089.db2.gz CFACWDIZRGCUFB-UHFFFAOYSA-N 1 0 342.237 3.324 20 5 EGBDRO CS[C@@H]1CCC[C@@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000569921459 459531240 /nfs/dbraw/zinc/53/12/40/459531240.db2.gz UAFWWPROSUWNQA-CHWSQXEVSA-N 1 0 337.445 3.187 20 5 EGBDRO C[C@H]1C[C@@H](Nc2c(Br)cccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000596143777 459536343 /nfs/dbraw/zinc/53/63/43/459536343.db2.gz ABHCCCOQGUQOGB-UWVGGRQHSA-N 1 0 328.210 3.252 20 5 EGBDRO COc1ccc(C[C@@](C)([NH3+])CNc2cc(C)sc2[N+](=O)[O-])cc1 ZINC000596175981 459547932 /nfs/dbraw/zinc/54/79/32/459547932.db2.gz YKMBJXPNXFFKMR-MRXNPFEDSA-N 1 0 335.429 3.345 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000562485001 459570429 /nfs/dbraw/zinc/57/04/29/459570429.db2.gz SKQVUFAPUZECSE-UHFFFAOYSA-N 1 0 334.420 3.241 20 5 EGBDRO Cc1cc(N2CCC([NH2+]Cc3ccccc3)CC2)ncc1[N+](=O)[O-] ZINC000596252254 459575172 /nfs/dbraw/zinc/57/51/72/459575172.db2.gz IBCBOINAPMKVDW-UHFFFAOYSA-N 1 0 326.400 3.057 20 5 EGBDRO CC(C)(C)[N@@H+]1CC[C@H](CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000596307416 459590834 /nfs/dbraw/zinc/59/08/34/459590834.db2.gz MVGRZGWHBOXZHU-GFCCVEGCSA-N 1 0 346.431 3.012 20 5 EGBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000596307417 459590982 /nfs/dbraw/zinc/59/09/82/459590982.db2.gz MVGRZGWHBOXZHU-LBPRGKRZSA-N 1 0 346.431 3.012 20 5 EGBDRO CCC[N@H+](CC)C[C@@H](C)Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000562576786 459592297 /nfs/dbraw/zinc/59/22/97/459592297.db2.gz DORPINZMBDHQPX-GFCCVEGCSA-N 1 0 334.420 3.012 20 5 EGBDRO CC(C)(C)[N@@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])cc2Br)C1 ZINC000596336653 459600623 /nfs/dbraw/zinc/60/06/23/459600623.db2.gz RFTPNNWPWJROHF-VIFPVBQESA-N 1 0 343.225 3.037 20 5 EGBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+](CC1CCCCC1)C1CC1 ZINC000543138855 459627317 /nfs/dbraw/zinc/62/73/17/459627317.db2.gz LNLAWMFDEZJOFA-KRWDZBQOSA-N 1 0 348.443 3.379 20 5 EGBDRO Cc1nc(N2CC[C@H]([N@H+](C)CCc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000596462839 459644813 /nfs/dbraw/zinc/64/48/13/459644813.db2.gz VCRCHNVNPAMRCV-KRWDZBQOSA-N 1 0 340.427 3.051 20 5 EGBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000596470774 459648208 /nfs/dbraw/zinc/64/82/08/459648208.db2.gz PRGCCVGETHRPOP-AWEZNQCLSA-N 1 0 332.404 3.123 20 5 EGBDRO O=[N+]([O-])c1ccc2ncnc(N[C@H]3CC[N@@H+](C4CCCCC4)C3)c2c1 ZINC000596478469 459650299 /nfs/dbraw/zinc/65/02/99/459650299.db2.gz NLCKHVRHVQERLJ-ZDUSSCGKSA-N 1 0 341.415 3.357 20 5 EGBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC[C@@H]1CCO[C@H](C)C1 ZINC000543409839 459654516 /nfs/dbraw/zinc/65/45/16/459654516.db2.gz HCQNPSQJGRXNAM-RBSFLKMASA-N 1 0 349.431 3.107 20 5 EGBDRO Cc1ccc(NC(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000596626235 459703619 /nfs/dbraw/zinc/70/36/19/459703619.db2.gz JEHGUIIYPYUJSB-CYBMUJFWSA-N 1 0 334.420 3.145 20 5 EGBDRO CC(C)[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(C)CC1 ZINC000501152400 459713862 /nfs/dbraw/zinc/71/38/62/459713862.db2.gz DPYPZMGNELJTDG-QGZVFWFLSA-N 1 0 348.447 3.473 20 5 EGBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000596708898 459736565 /nfs/dbraw/zinc/73/65/65/459736565.db2.gz XMCQEIVRPAUYEP-UHFFFAOYSA-N 1 0 349.431 3.033 20 5 EGBDRO CC[C@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@@H](CC)CO1 ZINC000593058749 459759433 /nfs/dbraw/zinc/75/94/33/459759433.db2.gz NQVGHZFUKVMISY-HOCLYGCPSA-N 1 0 349.431 3.121 20 5 EGBDRO CCOc1ccc([C@@H](C)NCc2ccc(C[NH3+])cc2F)cc1[N+](=O)[O-] ZINC000593323631 459842386 /nfs/dbraw/zinc/84/23/86/459842386.db2.gz RNYHVYLWIAINQW-GFCCVEGCSA-N 1 0 347.390 3.442 20 5 EGBDRO CC(=O)c1cc(N2CC[NH+](CCC(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000587404642 459892372 /nfs/dbraw/zinc/89/23/72/459892372.db2.gz FDRPCQPITUDCIY-UHFFFAOYSA-N 1 0 333.432 3.356 20 5 EGBDRO CC(C)[NH+]1CCC(C(=O)Nc2ccc([N+](=O)[O-])c3ncccc23)CC1 ZINC000602312514 459892482 /nfs/dbraw/zinc/89/24/82/459892482.db2.gz PQOAZLMYPAUETJ-UHFFFAOYSA-N 1 0 342.399 3.202 20 5 EGBDRO O=[N+]([O-])c1cccc(CN(Cc2ccccc2)[C@@H]2CCC[NH2+]C2)c1 ZINC000575181146 459943554 /nfs/dbraw/zinc/94/35/54/459943554.db2.gz RCUIEUJLNLPUCJ-LJQANCHMSA-N 1 0 325.412 3.349 20 5 EGBDRO O=[N+]([O-])c1sc(C[NH2+]CCCOCC2CC2)cc1Br ZINC000602514900 459978571 /nfs/dbraw/zinc/97/85/71/459978571.db2.gz WAALZFWGQNCMSR-UHFFFAOYSA-N 1 0 349.250 3.325 20 5 EGBDRO COCCCCC[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602533007 459986682 /nfs/dbraw/zinc/98/66/82/459986682.db2.gz MSIUCYBCBYRIKX-UHFFFAOYSA-N 1 0 337.239 3.325 20 5 EGBDRO CC(C)Oc1ccc([C@@H](CNc2cccnc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000588845798 459990515 /nfs/dbraw/zinc/99/05/15/459990515.db2.gz QSJKYFCRAZKWMG-QGZVFWFLSA-N 1 0 344.415 3.492 20 5 EGBDRO CC(C)Cc1ccc([C@@H](CNc2ncc([N+](=O)[O-])cn2)[NH+](C)C)cc1 ZINC000588848925 459991104 /nfs/dbraw/zinc/99/11/04/459991104.db2.gz HQEIZWKHKFBQBX-QGZVFWFLSA-N 1 0 343.431 3.298 20 5 EGBDRO CC[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccncc1 ZINC000602554225 459994196 /nfs/dbraw/zinc/99/41/96/459994196.db2.gz DKRBQFRZNFQOQC-KRWDZBQOSA-N 1 0 341.415 3.095 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCc2nc(C(F)(F)F)cs2)cc1 ZINC000602557026 459996273 /nfs/dbraw/zinc/99/62/73/459996273.db2.gz IYIFCXFBQDRZKW-UHFFFAOYSA-N 1 0 345.346 3.445 20 5 EGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000602571056 460002642 /nfs/dbraw/zinc/00/26/42/460002642.db2.gz XIXNGQZYKDNABP-MJHDQNEOSA-N 1 0 332.322 3.254 20 5 EGBDRO C[C@H]1CN(C2CC2)C[C@H]1[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602569719 460003470 /nfs/dbraw/zinc/00/34/70/460003470.db2.gz RIJNBSBCNAJLSS-IINYFYTJSA-N 1 0 343.349 3.186 20 5 EGBDRO CC(C)(C)[C@@H]1C[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CCO1 ZINC000602579846 460007487 /nfs/dbraw/zinc/00/74/87/460007487.db2.gz KZEJIZSCYHDBKZ-NHYWBVRUSA-N 1 0 333.388 3.419 20 5 EGBDRO CC(C)(C)[C@@H]1C[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CCO1 ZINC000602579844 460007897 /nfs/dbraw/zinc/00/78/97/460007897.db2.gz KZEJIZSCYHDBKZ-ABAIWWIYSA-N 1 0 333.388 3.419 20 5 EGBDRO C[C@H]1CSC[C@@H]1[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602664179 460052599 /nfs/dbraw/zinc/05/25/99/460052599.db2.gz UEOOFKYSCMVIIL-RCOVLWMOSA-N 1 0 337.264 3.260 20 5 EGBDRO Cn1ccnc1[C@H]([NH2+]CC(C1CC1)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000576010053 460053457 /nfs/dbraw/zinc/05/34/57/460053457.db2.gz GTDSYIGIUUUNCH-GOSISDBHSA-N 1 0 340.427 3.444 20 5 EGBDRO COC[C@@]1(C)CC[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602672636 460058286 /nfs/dbraw/zinc/05/82/86/460058286.db2.gz DFBRQYAMUPSWBP-AWEZNQCLSA-N 1 0 332.322 3.472 20 5 EGBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCCN2c3ccccc3C[C@H]2C1 ZINC000589280501 460065797 /nfs/dbraw/zinc/06/57/97/460065797.db2.gz DRTVLWUFEIOIGH-HNNXBMFYSA-N 1 0 341.386 3.371 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](CC(=O)OC(C)C)C(C)C ZINC000594045615 460071879 /nfs/dbraw/zinc/07/18/79/460071879.db2.gz JOSZIAHBOPGROL-OAHLLOKOSA-N 1 0 338.404 3.059 20 5 EGBDRO CCn1cc(CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C(C)C)cn1 ZINC000602700088 460072109 /nfs/dbraw/zinc/07/21/09/460072109.db2.gz RQYFPPQNSFBKRC-UHFFFAOYSA-N 1 0 343.387 3.363 20 5 EGBDRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000597861912 460083845 /nfs/dbraw/zinc/08/38/45/460083845.db2.gz YBNCYRMAVAGZCS-LLVKDONJSA-N 1 0 339.823 3.098 20 5 EGBDRO CCOC(=O)c1[nH]c(C)c(C[NH2+]Cc2ccccc2[N+](=O)[O-])c1C ZINC000598954759 460101558 /nfs/dbraw/zinc/10/15/58/460101558.db2.gz GXTPMZCBPNRJFI-UHFFFAOYSA-N 1 0 331.372 3.006 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@@H](C)C[C@@H]1c1cccc(F)c1 ZINC000602784507 460123824 /nfs/dbraw/zinc/12/38/24/460123824.db2.gz ROGILKHCQAFSMH-BLLLJJGKSA-N 1 0 332.379 3.322 20 5 EGBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000610392399 460140242 /nfs/dbraw/zinc/14/02/42/460140242.db2.gz HOHZJRCZFWCFMG-HIFRSBDPSA-N 1 0 345.399 3.157 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(c2ccc(F)cc2C)CC1 ZINC000602837475 460152429 /nfs/dbraw/zinc/15/24/29/460152429.db2.gz MQWAESCMYCNDFI-UHFFFAOYSA-N 1 0 346.406 3.427 20 5 EGBDRO COc1ccccc1[C@@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000610447795 460153532 /nfs/dbraw/zinc/15/35/32/460153532.db2.gz BEBXBKWHSAYONM-INIZCTEOSA-N 1 0 330.388 3.027 20 5 EGBDRO O=c1[nH]cccc1C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000599083840 460155429 /nfs/dbraw/zinc/15/54/29/460155429.db2.gz MZFZKSWHQVXNJR-XJKSGUPXSA-N 1 0 327.384 3.196 20 5 EGBDRO C[C@@H]([NH2+]CC[C@@H](O)COCc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000599089909 460158081 /nfs/dbraw/zinc/15/80/81/460158081.db2.gz PSJQYGFWLAMIRE-DNVCBOLYSA-N 1 0 344.411 3.213 20 5 EGBDRO CN(CC[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)CC(F)F ZINC000599094729 460159825 /nfs/dbraw/zinc/15/98/25/460159825.db2.gz LOCAETRYDUDCNE-SFHVURJKSA-N 1 0 349.381 3.471 20 5 EGBDRO CN(CC[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)CC(F)F ZINC000599095944 460160899 /nfs/dbraw/zinc/16/08/99/460160899.db2.gz ZBKYAMJLTBOCNT-CQSZACIVSA-N 1 0 327.375 3.104 20 5 EGBDRO C[N@@H+]1CCCC[C@@H](CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000599140655 460173052 /nfs/dbraw/zinc/17/30/52/460173052.db2.gz XDTRDXHKWLYCEV-NSHDSACASA-N 1 0 329.347 3.340 20 5 EGBDRO CCC(C)(C)[NH+]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000594390370 460203028 /nfs/dbraw/zinc/20/30/28/460203028.db2.gz VVUQCIQRYADTKG-DLBZAZTESA-N 1 0 345.443 3.031 20 5 EGBDRO CCOc1cc(C[N@@H+]2CC[C@H](O)[C@@H]3CCCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000602997426 460215316 /nfs/dbraw/zinc/21/53/16/460215316.db2.gz JPVQNBLFASHBRA-VYDXJSESSA-N 1 0 334.416 3.119 20 5 EGBDRO O=C(CC[NH2+]C1CC1)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000594444032 460223101 /nfs/dbraw/zinc/22/31/01/460223101.db2.gz JKCFUMTZJIXYLV-UHFFFAOYSA-N 1 0 341.367 3.468 20 5 EGBDRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)c3ccc([N+](=O)[O-])nc3)C2)s1 ZINC000603402396 460297529 /nfs/dbraw/zinc/29/75/29/460297529.db2.gz RJGLGHWENZCKGQ-CQSZACIVSA-N 1 0 346.456 3.318 20 5 EGBDRO COc1ccc(-c2ccc(C[N@H+](CCCO)C3CC3)o2)c([N+](=O)[O-])c1 ZINC000611271626 460324457 /nfs/dbraw/zinc/32/44/57/460324457.db2.gz WVYTXHFLBYQGQA-UHFFFAOYSA-N 1 0 346.383 3.210 20 5 EGBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)cc1 ZINC000611350102 460342835 /nfs/dbraw/zinc/34/28/35/460342835.db2.gz BGZRVSUULOUWTO-CVEARBPZSA-N 1 0 334.416 3.112 20 5 EGBDRO O=[N+]([O-])c1ccsc1NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000611412960 460358735 /nfs/dbraw/zinc/35/87/35/460358735.db2.gz QMRMAVIVNUPUEE-UHFFFAOYSA-N 1 0 347.440 3.225 20 5 EGBDRO CC(C)(C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000611415322 460359910 /nfs/dbraw/zinc/35/99/10/460359910.db2.gz GRQACOVIRBPBSV-INIZCTEOSA-N 1 0 340.427 3.454 20 5 EGBDRO C[C@H](CNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000603971275 460366844 /nfs/dbraw/zinc/36/68/44/460366844.db2.gz WBLZQZOSOOUEHZ-CQSZACIVSA-N 1 0 347.459 3.354 20 5 EGBDRO O=[N+]([O-])c1ccc(N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC000619501246 460370816 /nfs/dbraw/zinc/37/08/16/460370816.db2.gz VJPRECYQUFPULS-GASCZTMLSA-N 1 0 329.425 3.225 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000611515187 460384189 /nfs/dbraw/zinc/38/41/89/460384189.db2.gz HHJYRMVHMWDSMJ-SJLPKXTDSA-N 1 0 347.459 3.151 20 5 EGBDRO O=C(Nc1ccccc1Nc1cc[nH+]cc1)c1ccc([N+](=O)[O-])s1 ZINC000619581838 460388997 /nfs/dbraw/zinc/38/89/97/460388997.db2.gz RSFBYSKHNODEMK-UHFFFAOYSA-N 1 0 340.364 3.469 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccsc1 ZINC000619746379 460429679 /nfs/dbraw/zinc/42/96/79/460429679.db2.gz QVBNXCGSJXDUCL-WDEREUQCSA-N 1 0 349.412 3.343 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCc2nc(C3CC3)ncc2C1 ZINC000600209577 460442109 /nfs/dbraw/zinc/44/21/09/460442109.db2.gz OJEGLSMVWKGXBV-HWKANZROSA-N 1 0 336.395 3.334 20 5 EGBDRO C[C@@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H](O)C(F)(F)F ZINC000601151351 460733637 /nfs/dbraw/zinc/73/36/37/460733637.db2.gz XIRVKUKZAIWUHI-YMTOWFKASA-N 1 0 344.289 3.256 20 5 EGBDRO C[C@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H](O)C(F)(F)F ZINC000601151348 460733781 /nfs/dbraw/zinc/73/37/81/460733781.db2.gz XIRVKUKZAIWUHI-LKFCYVNXSA-N 1 0 344.289 3.256 20 5 EGBDRO CC[C@H]1C[N@H+](C)CCCN1c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000601188738 460744895 /nfs/dbraw/zinc/74/48/95/460744895.db2.gz MKFJJZUXLALHNW-NSHDSACASA-N 1 0 329.347 3.117 20 5 EGBDRO O=C(NC1CC[NH+](C2CCCCC2)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000601273406 460771695 /nfs/dbraw/zinc/77/16/95/460771695.db2.gz UJZYYXKAJKUESG-UHFFFAOYSA-N 1 0 349.406 3.261 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1-c1nc(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)no1 ZINC000612954667 460782831 /nfs/dbraw/zinc/78/28/31/460782831.db2.gz MRBFAGSNJXXDGB-YHWZYXNKSA-N 1 0 328.372 3.293 20 5 EGBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000613234145 460877569 /nfs/dbraw/zinc/87/75/69/460877569.db2.gz BWPRGNLPBATEGP-GDBMZVCRSA-N 1 0 347.459 3.010 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+]CCn2ccc(C(F)(F)F)n2)cc1[N+](=O)[O-] ZINC000601962541 460964037 /nfs/dbraw/zinc/96/40/37/460964037.db2.gz FEMZANWXFSQMNW-LLVKDONJSA-N 1 0 342.321 3.469 20 5 EGBDRO Cc1c(NC(=O)CC[N@@H+]2CCc3ccsc3C2)cccc1[N+](=O)[O-] ZINC000132682140 533899975 /nfs/dbraw/zinc/89/99/75/533899975.db2.gz WGXFANFSSJMLIJ-UHFFFAOYSA-N 1 0 345.424 3.352 20 5 EGBDRO Cc1cc(NC(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)ccc1[N+](=O)[O-] ZINC000153631250 533969896 /nfs/dbraw/zinc/96/98/96/533969896.db2.gz GDNVEXYQGLIIMD-AWEZNQCLSA-N 1 0 334.420 3.003 20 5 EGBDRO CCC[N@H+](CC)CCNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000174671327 527974763 /nfs/dbraw/zinc/97/47/63/527974763.db2.gz JJIXAULMYMQCDR-UHFFFAOYSA-N 1 0 347.337 3.075 20 5 EGBDRO CC1CC[NH+](CCCNC(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000175065644 528241631 /nfs/dbraw/zinc/24/16/31/528241631.db2.gz OAHXOJUQMXXSHS-UHFFFAOYSA-N 1 0 339.823 3.100 20 5 EGBDRO CCOC(=O)CC1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000159047313 528682342 /nfs/dbraw/zinc/68/23/42/528682342.db2.gz MOEPRAVTCJMFRH-FNORWQNLSA-N 1 0 332.400 3.273 20 5 EGBDRO CCOC[C@@H]([NH2+][C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C(C)C ZINC000189818334 528899037 /nfs/dbraw/zinc/89/90/37/528899037.db2.gz PHVUPLFEZGLEOF-IUODEOHRSA-N 1 0 348.403 3.357 20 5 EGBDRO CC[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000163265414 529210807 /nfs/dbraw/zinc/21/08/07/529210807.db2.gz WMLFDWCGANZDCS-GXTWGEPZSA-N 1 0 335.404 3.100 20 5 EGBDRO CC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000163165826 529289690 /nfs/dbraw/zinc/28/96/90/529289690.db2.gz HUXZFQPPAZDKRX-CZUORRHYSA-N 1 0 331.416 3.042 20 5 EGBDRO CC(C)[NH+](CCCNc1nc2sccn2c1[N+](=O)[O-])C(C)C ZINC000348164128 535056647 /nfs/dbraw/zinc/05/66/47/535056647.db2.gz AOHCWKXZFOGWMF-UHFFFAOYSA-N 1 0 325.438 3.225 20 5 EGBDRO CCCN(C(=O)C1CC[NH+](C2CC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000194137575 535197934 /nfs/dbraw/zinc/19/79/34/535197934.db2.gz ZRLAWDUVWQKURN-UHFFFAOYSA-N 1 0 331.416 3.212 20 5 EGBDRO CC[NH+]1CCN(c2ccc(Nc3ncc([N+](=O)[O-])s3)c(C)c2)CC1 ZINC000195505909 547233126 /nfs/dbraw/zinc/23/31/26/547233126.db2.gz KTSVXUAYPHFVLE-UHFFFAOYSA-N 1 0 347.444 3.245 20 5 EGBDRO C[C@H](Cc1cnccn1)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000726606047 574563539 /nfs/dbraw/zinc/56/35/39/574563539.db2.gz RJKIFFQCLCINHQ-CYBMUJFWSA-N 1 0 338.367 3.366 20 5 EGBDRO C[C@@H](Cc1cnccn1)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000726605821 574563619 /nfs/dbraw/zinc/56/36/19/574563619.db2.gz LALPCVZIXMALPL-ZDUSSCGKSA-N 1 0 338.367 3.366 20 5 EGBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000733366144 575330846 /nfs/dbraw/zinc/33/08/46/575330846.db2.gz MRRXKNQPEYALJQ-LBPRGKRZSA-N 1 0 339.823 3.243 20 5 EGBDRO COC(=O)C1CCC([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000740006440 576530939 /nfs/dbraw/zinc/53/09/39/576530939.db2.gz MZDWLFJWOGYWSL-UHFFFAOYSA-N 1 0 326.780 3.070 20 5 EGBDRO CC(C)[C@H](C(=O)OCCc1ccc([N+](=O)[O-])cc1)[NH+]1CCCCC1 ZINC000741012660 576645955 /nfs/dbraw/zinc/64/59/55/576645955.db2.gz ZEXPAYSSQOHNEM-QGZVFWFLSA-N 1 0 334.416 3.191 20 5 EGBDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1occc1Br ZINC000742381307 576776618 /nfs/dbraw/zinc/77/66/18/576776618.db2.gz VQVPWIJRKFMWOM-UHFFFAOYSA-N 1 0 325.162 3.283 20 5 EGBDRO CCC[C@H]1[C@@H](C)CCC[N@@H+]1Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000743379660 576807716 /nfs/dbraw/zinc/80/77/16/576807716.db2.gz AIKJHSIXDUTHQO-JSGCOSHPSA-N 1 0 333.388 3.361 20 5 EGBDRO CC[N@H+](Cn1nccc1[N+](=O)[O-])[C@H](Cc1ccc(F)cc1)C(C)C ZINC000743399867 576808437 /nfs/dbraw/zinc/80/84/37/576808437.db2.gz OEXWBQOBMAWEMS-MRXNPFEDSA-N 1 0 334.395 3.477 20 5 EGBDRO CC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C[C@H](O)c1ccc(C)cc1 ZINC000743863545 576817353 /nfs/dbraw/zinc/81/73/53/576817353.db2.gz AOQGUZPVNWSIAC-IBGZPJMESA-N 1 0 344.411 3.338 20 5 EGBDRO C[C@@H]1CCC[C@H]([N@H+](C)Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000075666636 1292403843 /nfs/dbraw/zinc/40/38/43/1292403843.db2.gz GKYOOEWUWMKDEN-CJNGLKHVSA-N 1 0 329.404 3.321 20 5 EGBDRO O=C1O[C@H](C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CC12CCC2 ZINC000831538789 1292881065 /nfs/dbraw/zinc/88/10/65/1292881065.db2.gz ISECBOAQAXWCAO-WBVHZDCISA-N 1 0 344.411 3.260 20 5 EGBDRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000122345320 1293408855 /nfs/dbraw/zinc/40/88/55/1293408855.db2.gz CQOVBJZWCBQUFG-JKSUJKDBSA-N 1 0 349.431 3.173 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]Cc3cccc(F)c3)CC2)cc1 ZINC000124362156 1293473111 /nfs/dbraw/zinc/47/31/11/1293473111.db2.gz BKSQBCCFMADZCO-UHFFFAOYSA-N 1 0 329.375 3.493 20 5 EGBDRO COc1ccc([C@@H](O)C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000125428575 1293506866 /nfs/dbraw/zinc/50/68/66/1293506866.db2.gz DUGODEUYPUEJRO-UGSOOPFHSA-N 1 0 330.384 3.296 20 5 EGBDRO O=C(CC[N@@H+]1CCC[C@@H]1C1CCC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000128495264 1293595391 /nfs/dbraw/zinc/59/53/91/1293595391.db2.gz DCXRANQXPXWQOJ-MRXNPFEDSA-N 1 0 335.379 3.327 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC[C@H]2Cc2ccccc2)c1 ZINC000136898827 1293823820 /nfs/dbraw/zinc/82/38/20/1293823820.db2.gz CANSPPZPFVUBSR-HKUYNNGSSA-N 1 0 326.396 3.335 20 5 EGBDRO CC(C)[NH+](CCNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)C(C)C ZINC000152530990 1293973009 /nfs/dbraw/zinc/97/30/09/1293973009.db2.gz VOZQSZWKASBLSL-UHFFFAOYSA-N 1 0 327.812 3.097 20 5 EGBDRO C[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cccc(O)c1 ZINC000181505541 1294975648 /nfs/dbraw/zinc/97/56/48/1294975648.db2.gz PKVNXEBERJIFHN-SNVBAGLBSA-N 1 0 349.774 3.243 20 5 EGBDRO C[C@H]1CCC[N@H+](CCCCNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000255066594 1296494934 /nfs/dbraw/zinc/49/49/34/1296494934.db2.gz OHGZMBZTFDWVFP-CLOOOTJHSA-N 1 0 345.443 3.236 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])cc1 ZINC000255197992 1296509443 /nfs/dbraw/zinc/50/94/43/1296509443.db2.gz RCNWSOJYULNPSR-HYXAFXHYSA-N 1 0 327.340 3.349 20 5 EGBDRO O=[N+]([O-])c1ccc(/C=C/c2nc(C3C[C@H]4CC[C@@H](C3)[NH2+]4)no2)cc1 ZINC000871792469 1296534724 /nfs/dbraw/zinc/53/47/24/1296534724.db2.gz CAZUXOQIRMPNCN-HABAZXNUSA-N 1 0 326.356 3.146 20 5 EGBDRO Cc1c(C[NH2+][C@@H]2CCN(Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000301963364 1296796330 /nfs/dbraw/zinc/79/63/30/1296796330.db2.gz XTPXIPGAKXVOEO-GOSISDBHSA-N 1 0 325.412 3.267 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C1CCN(CCOC(C)C)CC1 ZINC000873070403 1297258970 /nfs/dbraw/zinc/25/89/70/1297258970.db2.gz RWDKQRCUWWSSFN-UHFFFAOYSA-N 1 0 349.475 3.191 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1ccc(CN2CC[C@@]3(CCC[NH2+]3)C2)o1 ZINC000415135925 1297778863 /nfs/dbraw/zinc/77/88/63/1297778863.db2.gz KWNXMUFIPXJYFJ-SFHVURJKSA-N 1 0 327.384 3.183 20 5 EGBDRO C[C@@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)CC1(C)OCCO1 ZINC000716015170 1298292368 /nfs/dbraw/zinc/29/23/68/1298292368.db2.gz OFNGOLFSIMOWEV-LLVKDONJSA-N 1 0 328.796 3.127 20 5 EGBDRO C[N@@H+]1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C2(CCCCC2)C1 ZINC000746014217 1298511983 /nfs/dbraw/zinc/51/19/83/1298511983.db2.gz XNHQTKVEWJLRFB-JXMROGBWSA-N 1 0 343.427 3.085 20 5 EGBDRO Cc1ccc(NC(=O)c2csc(C3CC[NH2+]CC3)n2)cc1[N+](=O)[O-] ZINC000876545262 1298815710 /nfs/dbraw/zinc/81/57/10/1298815710.db2.gz KVLJKYIDQSFLHI-UHFFFAOYSA-N 1 0 346.412 3.079 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000876922549 1299067810 /nfs/dbraw/zinc/06/78/10/1299067810.db2.gz CTOHSMOZDVZIAY-QGZVFWFLSA-N 1 0 345.443 3.062 20 5 EGBDRO C[C@@H](CC[NH2+]CCc1ccc([N+](=O)[O-])cc1)NC(=O)OC(C)(C)C ZINC000877023621 1299117348 /nfs/dbraw/zinc/11/73/48/1299117348.db2.gz YPVPKXFHGJUSFS-ZDUSSCGKSA-N 1 0 337.420 3.030 20 5 EGBDRO CC(C)c1ccc(OCC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000749677694 1299254067 /nfs/dbraw/zinc/25/40/67/1299254067.db2.gz QICRSMIBRPJNAK-LJQANCHMSA-N 1 0 344.411 3.420 20 5 EGBDRO [NH3+][C@H](C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)C1)C1CCCC1 ZINC000877447475 1299307181 /nfs/dbraw/zinc/30/71/81/1299307181.db2.gz DFSXEHFUXFMWDZ-KBXCAEBGSA-N 1 0 345.443 3.355 20 5 EGBDRO Cc1nn(C[N@@H+]2CC[C@H](c3ccccc3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000749947814 1299308647 /nfs/dbraw/zinc/30/86/47/1299308647.db2.gz HSOBCFRMAGSWGR-HNNXBMFYSA-N 1 0 337.383 3.095 20 5 EGBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000751386578 1299544754 /nfs/dbraw/zinc/54/47/54/1299544754.db2.gz HAEPSWSNBIRKFF-NFAWXSAZSA-N 1 0 349.406 3.211 20 5 EGBDRO C[C@H]1CCC[C@H]([N@H+](C)CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)C1 ZINC000752787091 1299793781 /nfs/dbraw/zinc/79/37/81/1299793781.db2.gz XVNIARIJKBBJLI-GJZGRUSLSA-N 1 0 346.431 3.305 20 5 EGBDRO CC[C@]1(C)CCC[N@H+](CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)C1 ZINC000752790758 1299793984 /nfs/dbraw/zinc/79/39/84/1299793984.db2.gz DDTGIBSZGNTNFV-GOSISDBHSA-N 1 0 346.431 3.306 20 5 EGBDRO CC[N@H+](CN1CCN(c2ccccc2[N+](=O)[O-])C1=O)C1CCCC1 ZINC000752790330 1299794023 /nfs/dbraw/zinc/79/40/23/1299794023.db2.gz RDRBOKYHYLBXTH-UHFFFAOYSA-N 1 0 332.404 3.059 20 5 EGBDRO CO[C@@H]1C[C@@H]([NH2+]Cc2c(Br)cccc2[N+](=O)[O-])C1(C)C ZINC000753374302 1299924088 /nfs/dbraw/zinc/92/40/88/1299924088.db2.gz SXCPILGSXULALO-CHWSQXEVSA-N 1 0 343.221 3.260 20 5 EGBDRO CCc1ccc([C@@H](N[C@H]2CC[N@H+](C)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000753655475 1300002204 /nfs/dbraw/zinc/00/22/04/1300002204.db2.gz TZQOFUHYUHBQOS-KSSFIOAISA-N 1 0 329.400 3.133 20 5 EGBDRO CC[NH+](CC)CCSCc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000753850616 1300031653 /nfs/dbraw/zinc/03/16/53/1300031653.db2.gz OINFSCLWPXSYHF-UHFFFAOYSA-N 1 0 336.417 3.220 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1nnc(C[NH+]2CCC(C3CC3)CC2)o1 ZINC000878641298 1300122077 /nfs/dbraw/zinc/12/20/77/1300122077.db2.gz SNPYZPALEGFFEZ-UHFFFAOYSA-N 1 0 328.372 3.267 20 5 EGBDRO CNc1ccc(C(=O)Nc2ccc(C[NH+](C)C)c(F)c2)cc1[N+](=O)[O-] ZINC000754869736 1300234266 /nfs/dbraw/zinc/23/42/66/1300234266.db2.gz DDYYHYYOWPMZMP-UHFFFAOYSA-N 1 0 346.362 3.090 20 5 EGBDRO C[C@@H](C(=O)OCC[C@H]1CCCC[N@@H+]1C)c1ccc([N+](=O)[O-])cc1F ZINC000755063640 1300275182 /nfs/dbraw/zinc/27/51/82/1300275182.db2.gz NCBKGHLMPNGNJR-CHWSQXEVSA-N 1 0 338.379 3.255 20 5 EGBDRO CCC[N@@H+](CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])CC1CC1 ZINC000755263461 1300310350 /nfs/dbraw/zinc/31/03/50/1300310350.db2.gz VVTOGLHDDPKWKV-UHFFFAOYSA-N 1 0 325.796 3.309 20 5 EGBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000879529237 1300584936 /nfs/dbraw/zinc/58/49/36/1300584936.db2.gz KPSZSBPEUYIWST-UPJWGTAASA-N 1 0 349.818 3.473 20 5 EGBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000879529235 1300584998 /nfs/dbraw/zinc/58/49/98/1300584998.db2.gz KPSZSBPEUYIWST-RWMBFGLXSA-N 1 0 349.818 3.473 20 5 EGBDRO CC(C)CC1CC[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000760926738 1301363396 /nfs/dbraw/zinc/36/33/96/1301363396.db2.gz PVCHMOKEQQTSBB-KRWDZBQOSA-N 1 0 336.432 3.093 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC000761043625 1301389192 /nfs/dbraw/zinc/38/91/92/1301389192.db2.gz FGFLRWUUZYVSSH-NSHDSACASA-N 1 0 345.321 3.116 20 5 EGBDRO C[C@@H](Cc1ccco1)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000764771160 1302131009 /nfs/dbraw/zinc/13/10/09/1302131009.db2.gz UQYWZQUYZSXEED-AWEZNQCLSA-N 1 0 329.400 3.377 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000766241965 1302415281 /nfs/dbraw/zinc/41/52/81/1302415281.db2.gz NQWWCTOGHBYKMI-CQSZACIVSA-N 1 0 334.420 3.208 20 5 EGBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000768548921 1302931706 /nfs/dbraw/zinc/93/17/06/1302931706.db2.gz LEGFDUDCLDJUMJ-HNNXBMFYSA-N 1 0 337.851 3.412 20 5 EGBDRO CN(CC(F)F)C1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000769509999 1303131470 /nfs/dbraw/zinc/13/14/70/1303131470.db2.gz MNWQSFAZTUSNTJ-GQCTYLIASA-N 1 0 339.386 3.269 20 5 EGBDRO C[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1)[NH+]1CCCCC1 ZINC000770017771 1303208269 /nfs/dbraw/zinc/20/82/69/1303208269.db2.gz VNOLYRUYNMVLQW-LLVKDONJSA-N 1 0 340.811 3.244 20 5 EGBDRO O=[N+]([O-])c1ncccc1CN1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000885986167 1303309415 /nfs/dbraw/zinc/30/94/15/1303309415.db2.gz ZZLVZMKXAHACAX-INIZCTEOSA-N 1 0 332.448 3.078 20 5 EGBDRO CN(Cc1cccnc1[N+](=O)[O-])C1CC[NH+](Cc2ccccc2)CC1 ZINC000886068313 1303345668 /nfs/dbraw/zinc/34/56/68/1303345668.db2.gz VPTMLJHWPVDASW-UHFFFAOYSA-N 1 0 340.427 3.086 20 5 EGBDRO CCN(Cc1ccc(C[NH+](C)C)cc1)Cc1cccnc1[N+](=O)[O-] ZINC000886302260 1303428329 /nfs/dbraw/zinc/42/83/29/1303428329.db2.gz IUMKJXQDQRXCGI-UHFFFAOYSA-N 1 0 328.416 3.074 20 5 EGBDRO CC[C@H]([NH2+][C@@H](CO)C[C@H](O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000773110130 1303625758 /nfs/dbraw/zinc/62/57/58/1303625758.db2.gz VPTMXMGCYBAFRI-NEWSRXKRSA-N 1 0 344.411 3.120 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000775381121 1303951092 /nfs/dbraw/zinc/95/10/92/1303951092.db2.gz QSXRGMLKEVPOJB-BPLDGKMQSA-N 1 0 340.470 3.073 20 5 EGBDRO CC[C@@](C)([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000775388077 1303953744 /nfs/dbraw/zinc/95/37/44/1303953744.db2.gz NXYVMYJHTCJEKL-GOSISDBHSA-N 1 0 327.384 3.448 20 5 EGBDRO CC[C@H]1[C@H](C)CC[N@@H+]1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000775782140 1304035832 /nfs/dbraw/zinc/03/58/32/1304035832.db2.gz CBHVZTIVMNDONO-MFKMUULPSA-N 1 0 325.796 3.307 20 5 EGBDRO CCC[NH+]1CCN(C(=O)Nc2cc([N+](=O)[O-])c(Cl)cc2C)CC1 ZINC000888286918 1304102946 /nfs/dbraw/zinc/10/29/46/1304102946.db2.gz QRMREEFLHACLOP-UHFFFAOYSA-N 1 0 340.811 3.116 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@@H]2CCCc3ccccc32)cc1 ZINC000776273434 1304125035 /nfs/dbraw/zinc/12/50/35/1304125035.db2.gz BDOGSMNABCFAAD-QFBILLFUSA-N 1 0 326.396 3.338 20 5 EGBDRO Cc1ccc(CCC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000776272138 1304125239 /nfs/dbraw/zinc/12/52/39/1304125239.db2.gz QKCZCCHKMKVIKF-IBGZPJMESA-N 1 0 328.412 3.467 20 5 EGBDRO CCOc1ccc(C[N@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000776272770 1304125489 /nfs/dbraw/zinc/12/54/89/1304125489.db2.gz WALJNJZMBUDUMM-GOSISDBHSA-N 1 0 330.384 3.159 20 5 EGBDRO CC[C@](C)([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1nc(C)cs1 ZINC000776591922 1304177615 /nfs/dbraw/zinc/17/76/15/1304177615.db2.gz RXXZSFUICNUKDO-ZBFHGGJFSA-N 1 0 335.429 3.308 20 5 EGBDRO CO[C@H](C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000777013401 1304232446 /nfs/dbraw/zinc/23/24/46/1304232446.db2.gz VIRKZFIFXRRCSA-NJZAAPMLSA-N 1 0 346.349 3.473 20 5 EGBDRO COC1CCC([N@H+](C)Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)CC1 ZINC000777954933 1304372737 /nfs/dbraw/zinc/37/27/37/1304372737.db2.gz FISQLTIPXAIZBA-UHFFFAOYSA-N 1 0 344.415 3.305 20 5 EGBDRO C[N@H+](CCC1CCOCC1)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000777963826 1304374764 /nfs/dbraw/zinc/37/47/64/1304374764.db2.gz MMXBAOUPCQZWRX-UHFFFAOYSA-N 1 0 344.415 3.164 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC2(C[NH+](C)C)CCCC2)c1C ZINC000889954663 1304640686 /nfs/dbraw/zinc/64/06/86/1304640686.db2.gz GKQLEKHLEZLDMS-UHFFFAOYSA-N 1 0 333.432 3.063 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](C[C@H]3CCc4ccccc43)C2)nc1 ZINC000780304483 1304675032 /nfs/dbraw/zinc/67/50/32/1304675032.db2.gz VDCHMMGLVKFXFU-CVEARBPZSA-N 1 0 338.411 3.206 20 5 EGBDRO Cc1cc(N[C@H]2CCCc3nc(C)ncc32)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000782952088 1305028926 /nfs/dbraw/zinc/02/89/26/1305028926.db2.gz IJIQPHFOQXADFJ-KRWDZBQOSA-N 1 0 349.394 3.461 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3C[C@H]4C[C@@]4(CO)C3)s2)cc1 ZINC000783734169 1305135855 /nfs/dbraw/zinc/13/58/55/1305135855.db2.gz JRJHCSKAVMQSOH-DYVFJYSZSA-N 1 0 330.409 3.138 20 5 EGBDRO C[C@H](CCNC(=S)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCCCC1 ZINC000783792675 1305146115 /nfs/dbraw/zinc/14/61/15/1305146115.db2.gz QWSXTECOIWENEQ-CYBMUJFWSA-N 1 0 336.461 3.146 20 5 EGBDRO Nc1ccc(N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000786574475 1305602478 /nfs/dbraw/zinc/60/24/78/1305602478.db2.gz CMVQUMTWVCCZKJ-MRXNPFEDSA-N 1 0 326.400 3.254 20 5 EGBDRO COc1ccc([C@H](O)C[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)cc1 ZINC000786807994 1305633741 /nfs/dbraw/zinc/63/37/41/1305633741.db2.gz GVFNEFFBOFMGEE-LMICACPXSA-N 1 0 342.395 3.330 20 5 EGBDRO O=C(OCc1ccc([N+](=O)[O-])c(F)c1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000786880487 1305645851 /nfs/dbraw/zinc/64/58/51/1305645851.db2.gz JZXGQDRMWQVLHS-MRXNPFEDSA-N 1 0 336.363 3.184 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@H](C2(C)OCCO2)C1 ZINC000787414014 1305744120 /nfs/dbraw/zinc/74/41/20/1305744120.db2.gz WLSFQOVVLGASSE-GSPCDJLXSA-N 1 0 346.427 3.473 20 5 EGBDRO C[C@H]([NH2+]CC(C)(C)N1CCC[C@H](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788562995 1305972562 /nfs/dbraw/zinc/97/25/62/1305972562.db2.gz MXGIFWHWKMJLDE-KBPBESRZSA-N 1 0 334.464 3.338 20 5 EGBDRO C[C@H](CNC(=O)OC(C)(C)C)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000893646131 1306005647 /nfs/dbraw/zinc/00/56/47/1306005647.db2.gz FDSVYMXVCNIVSH-SNVBAGLBSA-N 1 0 343.811 3.251 20 5 EGBDRO C[C@@H](C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000894138527 1306240290 /nfs/dbraw/zinc/24/02/90/1306240290.db2.gz FTXIOPFRHOCHRQ-JTQLQIEISA-N 1 0 343.811 3.251 20 5 EGBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000791060087 1308918521 /nfs/dbraw/zinc/91/85/21/1308918521.db2.gz JEMFLOKPZQLTDP-AWEZNQCLSA-N 1 0 339.823 3.098 20 5 EGBDRO COc1c(O)ccc(C[NH2+]CC[C@@]2(C)CC2(Cl)Cl)c1[N+](=O)[O-] ZINC000894741288 1309046156 /nfs/dbraw/zinc/04/61/56/1309046156.db2.gz FJFZDRGRYZZVND-ZDUSSCGKSA-N 1 0 349.214 3.373 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCC(CC(F)(F)F)CC2)c1 ZINC000792933462 1309263919 /nfs/dbraw/zinc/26/39/19/1309263919.db2.gz KXQGTOVBOVOVEH-AWEZNQCLSA-N 1 0 332.322 3.293 20 5 EGBDRO C[N@H+](Cn1cc(Br)c([N+](=O)[O-])n1)[C@@H]1CCC(C)(C)C1 ZINC000794683902 1309574673 /nfs/dbraw/zinc/57/46/73/1309574673.db2.gz GQOXLVFHSSBZFM-SECBINFHSA-N 1 0 331.214 3.022 20 5 EGBDRO COC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000896124881 1309710247 /nfs/dbraw/zinc/71/02/47/1309710247.db2.gz NKEXJNGUVBKGQF-KCJUWKMLSA-N 1 0 347.198 3.333 20 5 EGBDRO CCCN1CCC[C@H]1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000797113381 1310143409 /nfs/dbraw/zinc/14/34/09/1310143409.db2.gz AOUFXSOXNCZIKQ-IBGZPJMESA-N 1 0 346.475 3.028 20 5 EGBDRO CC(C)(C)[N@@H+]1CC[C@H]1C(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000897901032 1310512069 /nfs/dbraw/zinc/51/20/69/1310512069.db2.gz NPFPFSLSUCFCRX-RDJZCZTQSA-N 1 0 345.443 3.174 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CCC([NH2+]C2CCC2)CC1 ZINC000897981587 1310539606 /nfs/dbraw/zinc/53/96/06/1310539606.db2.gz NSQFGOPGZPUILX-UHFFFAOYSA-N 1 0 333.432 3.100 20 5 EGBDRO COc1cc(C[NH2+][C@H]2CCc3ccccc3OC2)c([N+](=O)[O-])cc1F ZINC000801575538 1310969485 /nfs/dbraw/zinc/96/94/85/1310969485.db2.gz JXLGBVXORYTVPD-AWEZNQCLSA-N 1 0 346.358 3.226 20 5 EGBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000857303619 1328527280 /nfs/dbraw/zinc/52/72/80/1328527280.db2.gz XZKPYYPYSDXUGA-NSHDSACASA-N 1 0 339.823 3.098 20 5 EGBDRO CC[C@@H](C(=O)OCc1c(F)cc([N+](=O)[O-])cc1F)[NH+](CC)CC ZINC000803362856 1317113911 /nfs/dbraw/zinc/11/39/11/1317113911.db2.gz SQNCYULUHXAPMF-AWEZNQCLSA-N 1 0 330.331 3.037 20 5 EGBDRO C[NH+](C)[C@H](CNc1c([N+](=O)[O-])cccc1[N+](=O)[O-])c1ccsc1 ZINC000804345915 1317221457 /nfs/dbraw/zinc/22/14/57/1317221457.db2.gz UEJXHNJSAJGRDQ-CYBMUJFWSA-N 1 0 336.373 3.279 20 5 EGBDRO CC(C)C[N@@H+]1CCC[C@@H](CNc2c([N+](=O)[O-])cccc2[N+](=O)[O-])C1 ZINC000804564648 1317259822 /nfs/dbraw/zinc/25/98/22/1317259822.db2.gz YRQGVJFSKRPSKW-ZDUSSCGKSA-N 1 0 336.392 3.283 20 5 EGBDRO O=[N+]([O-])c1cc(-c2cc(C[NH+]3CCCC3)on2)ccc1N1CCCC1 ZINC000901398376 1317418960 /nfs/dbraw/zinc/41/89/60/1317418960.db2.gz QUYRIMPXMYDFFS-UHFFFAOYSA-N 1 0 342.399 3.446 20 5 EGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1ccc2c(c1)ncn2C ZINC000903203522 1317673288 /nfs/dbraw/zinc/67/32/88/1317673288.db2.gz UYZHRSQKEXVMFU-GFCCVEGCSA-N 1 0 342.374 3.341 20 5 EGBDRO C[C@@H]([NH2+][C@@H](C)CS(=O)(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000903287248 1317683028 /nfs/dbraw/zinc/68/30/28/1317683028.db2.gz LXHGCQMVIBLRMR-UONOGXRCSA-N 1 0 348.424 3.108 20 5 EGBDRO C[N@@H+]1CCCC[C@@H]1CCOC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000808466675 1317683524 /nfs/dbraw/zinc/68/35/24/1317683524.db2.gz KJESHECYGVALES-OAHLLOKOSA-N 1 0 347.415 3.200 20 5 EGBDRO C[C@](O)(C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1cccc(F)c1 ZINC000903310148 1317686360 /nfs/dbraw/zinc/68/63/60/1317686360.db2.gz XVQJSFRMFKJTPP-AEFFLSMTSA-N 1 0 330.359 3.219 20 5 EGBDRO CCc1ccc([C@H]([NH2+]C[C@@H]2CCN2C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000903319474 1317687382 /nfs/dbraw/zinc/68/73/82/1317687382.db2.gz ZVPAIYXTPPDKMN-MAUKXSAKSA-N 1 0 329.400 3.133 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]Cc2cc(Cl)cc3c2OCC3)cc1 ZINC000809733391 1317882610 /nfs/dbraw/zinc/88/26/10/1317882610.db2.gz VDHNQXLPQZFTTM-MRXNPFEDSA-N 1 0 348.786 3.006 20 5 EGBDRO Cc1cc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)cs1 ZINC001020746064 1317902309 /nfs/dbraw/zinc/90/23/09/1317902309.db2.gz IEVBFEONAUVNEJ-SHTZXODSSA-N 1 0 345.424 3.015 20 5 EGBDRO CC[N@@H+]1CCCN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000809940857 1317922129 /nfs/dbraw/zinc/92/21/29/1317922129.db2.gz OGLJEXSOPVXPFP-UHFFFAOYSA-N 1 0 332.231 3.429 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)n1cc(C[N@H+](C)C(C)(C)C)nn1 ZINC000905812011 1318003885 /nfs/dbraw/zinc/00/38/85/1318003885.db2.gz RWSXLDCWCWGWRS-CYBMUJFWSA-N 1 0 331.420 3.334 20 5 EGBDRO C[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(F)cc1 ZINC000905853541 1318008091 /nfs/dbraw/zinc/00/80/91/1318008091.db2.gz SOOVMIACLQHXGV-CHWSQXEVSA-N 1 0 345.374 3.089 20 5 EGBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000905853540 1318008927 /nfs/dbraw/zinc/00/89/27/1318008927.db2.gz SNNYZDNKUOHWPT-OLZOCXBDSA-N 1 0 343.383 3.281 20 5 EGBDRO C[NH2+]Cc1cccc(NC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC000906626544 1318128880 /nfs/dbraw/zinc/12/88/80/1318128880.db2.gz GOXFNKNYRSEXEJ-DLBZAZTESA-N 1 0 325.368 3.056 20 5 EGBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]CCOC[C@@H]1CCCO1 ZINC000811481355 1318182611 /nfs/dbraw/zinc/18/26/11/1318182611.db2.gz YFSPFGUDFZWCRN-LBPRGKRZSA-N 1 0 349.214 3.187 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCc2ccc(F)cc2Cl)cc1 ZINC000811486625 1318183927 /nfs/dbraw/zinc/18/39/27/1318183927.db2.gz LRCPSTMJDDUVPV-INIZCTEOSA-N 1 0 338.766 3.253 20 5 EGBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])[C@H]1OC ZINC000811491115 1318185111 /nfs/dbraw/zinc/18/51/11/1318185111.db2.gz ZOGFRLXCAFUGSX-OUCADQQQSA-N 1 0 349.214 3.184 20 5 EGBDRO CCC[C@@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)OCC ZINC000858451438 1328766360 /nfs/dbraw/zinc/76/63/60/1328766360.db2.gz RZGRZIFVRRMTIO-SFHVURJKSA-N 1 0 335.448 3.358 20 5 EGBDRO C[NH+](C)CCCC(C)(C)NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000909021857 1318427607 /nfs/dbraw/zinc/42/76/07/1318427607.db2.gz HTKUBOJOKWOJJV-UHFFFAOYSA-N 1 0 345.802 3.238 20 5 EGBDRO CN(C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])[C@H]1CCC[N@H+](C)C1 ZINC000813025557 1318489407 /nfs/dbraw/zinc/48/94/07/1318489407.db2.gz UWIZOKGBFLBLCZ-JTQLQIEISA-N 1 0 346.214 3.068 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(C[NH+](C)C)cc2C)c1 ZINC000909612102 1318501779 /nfs/dbraw/zinc/50/17/79/1318501779.db2.gz FKGOCCWUTRAJBO-UHFFFAOYSA-N 1 0 343.383 3.226 20 5 EGBDRO Cc1sccc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001022046454 1318779328 /nfs/dbraw/zinc/77/93/28/1318779328.db2.gz MLSQNKIZIPSRLK-OKILXGFUSA-N 1 0 345.424 3.015 20 5 EGBDRO COC(=O)CC(C)(C)[NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000815073274 1318882886 /nfs/dbraw/zinc/88/28/86/1318882886.db2.gz IGCOPUUELDYOPP-UHFFFAOYSA-N 1 0 334.294 3.045 20 5 EGBDRO C[C@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000912807847 1318936877 /nfs/dbraw/zinc/93/68/77/1318936877.db2.gz QLZYQDRWQMXKRP-VKJFTORMSA-N 1 0 347.459 3.277 20 5 EGBDRO Cc1ccc(C(=O)N2CCCC[C@H]2[C@@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000912816048 1318940969 /nfs/dbraw/zinc/94/09/69/1318940969.db2.gz TXTJGSAHYMKMJL-HOCLYGCPSA-N 1 0 333.432 3.096 20 5 EGBDRO CC(C)(C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)C1CCC1 ZINC001022500771 1318966902 /nfs/dbraw/zinc/96/69/02/1318966902.db2.gz CITNIZLUSFXAMK-IYBDPMFKSA-N 1 0 345.443 3.158 20 5 EGBDRO COC[C@H](Cc1ccccc1)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815585743 1319023236 /nfs/dbraw/zinc/02/32/36/1319023236.db2.gz QXXMBOZMZHCRST-CJNGLKHVSA-N 1 0 329.400 3.085 20 5 EGBDRO CCCCn1cc(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)c(C)n1 ZINC000815600179 1319024623 /nfs/dbraw/zinc/02/46/23/1319024623.db2.gz NJTORZNVTUVIIK-LBPRGKRZSA-N 1 0 331.420 3.333 20 5 EGBDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCCN2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817977297 1319483650 /nfs/dbraw/zinc/48/36/50/1319483650.db2.gz GXPHYBBHJLYNML-LBPRGKRZSA-N 1 0 326.400 3.386 20 5 EGBDRO Cc1ccc(CSCC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000818941072 1319581991 /nfs/dbraw/zinc/58/19/91/1319581991.db2.gz CKIGGSPYINZJEQ-SFHVURJKSA-N 1 0 346.452 3.460 20 5 EGBDRO CC1(c2ccccc2)CC([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819028401 1319618292 /nfs/dbraw/zinc/61/82/92/1319618292.db2.gz KQCGWPUQCZGOIR-AVAKVYKDSA-N 1 0 326.396 3.338 20 5 EGBDRO CC(C)c1ccccc1OCC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819052312 1319623806 /nfs/dbraw/zinc/62/38/06/1319623806.db2.gz CGYGNJPMQPJPHN-SFHVURJKSA-N 1 0 344.411 3.420 20 5 EGBDRO CCC(CC)[C@@H](CNC[C@@H](O)c1ccc([N+](=O)[O-])cc1)[NH+]1CCCC1 ZINC000819062561 1319625188 /nfs/dbraw/zinc/62/51/88/1319625188.db2.gz RMEUUCLEGGDRJG-RTBURBONSA-N 1 0 349.475 3.118 20 5 EGBDRO CCO[C@@H](CC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000819128667 1319643431 /nfs/dbraw/zinc/64/34/31/1319643431.db2.gz PQSLQKSGCMTQTR-ROUUACIJSA-N 1 0 336.432 3.203 20 5 EGBDRO CC[C@H](C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)Oc1cccc(F)c1 ZINC000819142569 1319648111 /nfs/dbraw/zinc/64/81/11/1319648111.db2.gz RVZDXGCSSJJWJZ-AEFFLSMTSA-N 1 0 348.374 3.215 20 5 EGBDRO CCOCCC1(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000819158552 1319652240 /nfs/dbraw/zinc/65/22/40/1319652240.db2.gz SREDZSTWEQUSTD-QGZVFWFLSA-N 1 0 336.432 3.205 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H]2COc3ccc(Cl)cc32)c1 ZINC000819161361 1319652846 /nfs/dbraw/zinc/65/28/46/1319652846.db2.gz FSRGLEXZDMXWEQ-CABCVRRESA-N 1 0 334.759 3.005 20 5 EGBDRO CC(C)(C)OC1CC(CC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819264402 1319682949 /nfs/dbraw/zinc/68/29/49/1319682949.db2.gz SVLZRUTYQASDNL-QWFMPGPPSA-N 1 0 336.432 3.202 20 5 EGBDRO CC(C)(C)OC1CC(CC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000819264209 1319683309 /nfs/dbraw/zinc/68/33/09/1319683309.db2.gz NUPIXXNOQRWRFZ-QWFMPGPPSA-N 1 0 336.432 3.202 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@H]2CSc3ccccc32)c1 ZINC000819337499 1319702598 /nfs/dbraw/zinc/70/25/98/1319702598.db2.gz SLWPEDCKGXUMJC-BBRMVZONSA-N 1 0 330.409 3.107 20 5 EGBDRO COc1cccc([C@@H]2C[C@H]2C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000819367511 1319711827 /nfs/dbraw/zinc/71/18/27/1319711827.db2.gz IBWVPNVBLSPOPK-SNRMKQJTSA-N 1 0 342.395 3.030 20 5 EGBDRO O=C(NCCCCC[NH+]1CCCC1)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000820630055 1319925491 /nfs/dbraw/zinc/92/54/91/1319925491.db2.gz IDPKBJVKWCYEEN-ROUUACIJSA-N 1 0 345.443 3.081 20 5 EGBDRO Cc1nccn1-c1ccc(NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)cn1 ZINC000918591715 1319977541 /nfs/dbraw/zinc/97/75/41/1319977541.db2.gz XSJPZHDVAFSKDS-WTKPLQERSA-N 1 0 349.350 3.136 20 5 EGBDRO Cn1cc([C@H]2C[N@H+](Cc3cc(F)ccc3[N+](=O)[O-])CC2(C)C)cn1 ZINC000821337489 1320007662 /nfs/dbraw/zinc/00/76/62/1320007662.db2.gz VLTLCVAZKRKZFH-OAHLLOKOSA-N 1 0 332.379 3.093 20 5 EGBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000825529613 1320345372 /nfs/dbraw/zinc/34/53/72/1320345372.db2.gz KLSSASREFFVTER-NWDGAFQWSA-N 1 0 339.823 3.098 20 5 EGBDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000825877679 1320367684 /nfs/dbraw/zinc/36/76/84/1320367684.db2.gz LSYDQYUTPWUKPW-OAHLLOKOSA-N 1 0 347.459 3.164 20 5 EGBDRO C[S@](=O)[C@H]1CCC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000826910436 1320413791 /nfs/dbraw/zinc/41/37/91/1320413791.db2.gz HWARGNQGEQXIOE-IDFMNXDXSA-N 1 0 330.837 3.028 20 5 EGBDRO C[N@H+](CCC1CN(C(=O)OC(C)(C)C)C1)Cc1ccccc1[N+](=O)[O-] ZINC000859057950 1328915906 /nfs/dbraw/zinc/91/59/06/1328915906.db2.gz NCCASKYEEIFVDI-UHFFFAOYSA-N 1 0 349.431 3.284 20 5 EGBDRO CC(C)(C)OC(=O)[C@]1(C)CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000839105303 1320871362 /nfs/dbraw/zinc/87/13/62/1320871362.db2.gz QNGPXCJVMAKDTA-QGZVFWFLSA-N 1 0 338.379 3.288 20 5 EGBDRO CC[C@H](CSC)[N@H+](C)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839534989 1320934500 /nfs/dbraw/zinc/93/45/00/1320934500.db2.gz FLKXSQQPJXHHLO-LLVKDONJSA-N 1 0 345.852 3.260 20 5 EGBDRO CO[C@@H]1C[C@@H]([N@H+](C)Cn2nc(C)c3cc([N+](=O)[O-])ccc32)C12CCC2 ZINC000840144430 1321038324 /nfs/dbraw/zinc/03/83/24/1321038324.db2.gz YYAJSIXDZUEEKN-IAGOWNOFSA-N 1 0 344.415 3.100 20 5 EGBDRO CC[NH+](CC)Cc1ccc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)o1 ZINC000843027638 1321458674 /nfs/dbraw/zinc/45/86/74/1321458674.db2.gz KUZGVCBXIJYVCP-UHFFFAOYSA-N 1 0 335.335 3.421 20 5 EGBDRO CC(C)(C)c1ccc(-c2nc(C3CC[NH2+]CC3)no2)cc1[N+](=O)[O-] ZINC000843138642 1321476113 /nfs/dbraw/zinc/47/61/13/1321476113.db2.gz HQXMFXXTNLSLDN-UHFFFAOYSA-N 1 0 330.388 3.409 20 5 EGBDRO CC(C)(C)OC(=O)NCCC1CC([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000845923414 1321754531 /nfs/dbraw/zinc/75/45/31/1321754531.db2.gz CWSWHYGRNNUUIF-UHFFFAOYSA-N 1 0 349.431 3.378 20 5 EGBDRO CC[C@@H](C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000848552687 1321975466 /nfs/dbraw/zinc/97/54/66/1321975466.db2.gz GBSUDRDVCHFRRR-WFASDCNBSA-N 1 0 349.431 3.475 20 5 EGBDRO CC(C)CCC[C@@H](C)NC(=[NH2+])NCCNc1ccc([N+](=O)[O-])cc1 ZINC000849053635 1322059908 /nfs/dbraw/zinc/05/99/08/1322059908.db2.gz ZUSMRDRTQPHEKJ-CQSZACIVSA-N 1 0 335.452 3.335 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H]1CSCCS1 ZINC000850439260 1322249757 /nfs/dbraw/zinc/24/97/57/1322249757.db2.gz GSZFCFZTAQNFDG-ZYHUDNBSSA-N 1 0 328.459 3.103 20 5 EGBDRO C[C@H](CN(C)C(=O)OC(C)(C)C)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000850578473 1322271572 /nfs/dbraw/zinc/27/15/72/1322271572.db2.gz LMHGJVZHGYXWNV-DOMZBBRYSA-N 1 0 349.431 3.427 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000931188102 1329068817 /nfs/dbraw/zinc/06/88/17/1329068817.db2.gz BJULLWCOIYZFNE-CQSZACIVSA-N 1 0 349.456 3.017 20 5 EGBDRO C[N@H+](CCc1cccs1)Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853500237 1325105364 /nfs/dbraw/zinc/10/53/64/1325105364.db2.gz PPUDJJZMRXMTKM-UHFFFAOYSA-N 1 0 343.412 3.047 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCCN2CC(F)F)cc1Cl ZINC000862468952 1329489160 /nfs/dbraw/zinc/48/91/60/1329489160.db2.gz UKFXWRGGXSQTEQ-LLVKDONJSA-N 1 0 333.766 3.067 20 5 EGBDRO CS[C@H]1CN(c2ccc([N+](=O)[O-])cc2C(F)F)C[C@H]1[NH+](C)C ZINC000865645224 1329724548 /nfs/dbraw/zinc/72/45/48/1329724548.db2.gz VJFJHPSHBWAFTG-OLZOCXBDSA-N 1 0 331.388 3.014 20 5 EGBDRO C[C@@H]([NH2+]CCOC(=O)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000932176706 1329791148 /nfs/dbraw/zinc/79/11/48/1329791148.db2.gz AEPQNOLHOUMIJY-CQSZACIVSA-N 1 0 328.368 3.031 20 5 EGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@](C)(O)c1cccs1 ZINC000866270489 1330088629 /nfs/dbraw/zinc/08/86/29/1330088629.db2.gz PIFDLMBODHDKCN-BDJLRTHQSA-N 1 0 338.404 3.224 20 5 EGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H](CO)c1ccc(F)cc1 ZINC000866297478 1330092404 /nfs/dbraw/zinc/09/24/04/1330092404.db2.gz KBAWAWULDHXHGH-MEDUHNTESA-N 1 0 336.338 3.127 20 5 EGBDRO C/C=C(\C)C(=O)N1CCC(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001029954247 1341133592 /nfs/dbraw/zinc/13/35/92/1341133592.db2.gz WZEPDQOECDFCAF-SYZQJQIISA-N 1 0 345.443 3.231 20 5 EGBDRO O=C(C=C1CCC1)N[C@H]1CC[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC001034624441 1342656684 /nfs/dbraw/zinc/65/66/84/1342656684.db2.gz QJWVDLLSFQIVKL-SHTZXODSSA-N 1 0 349.456 3.284 20 5 EGBDRO Cc1cc(Br)c(O[C@@H]2CC[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC001218427374 1373610480 /nfs/dbraw/zinc/61/04/80/1373610480.db2.gz ZYFFELDNVKODSE-BXKDBHETSA-N 1 0 329.194 3.043 20 5 EGBDRO CC(C)CC(=O)N1CC2(C1)CC[NH+](Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC001050412248 1348256177 /nfs/dbraw/zinc/25/61/77/1348256177.db2.gz YLQYNFQHOLDOPG-UHFFFAOYSA-N 1 0 345.443 3.065 20 5 EGBDRO Cc1cc(NCc2ccc3[nH]c(=O)[nH]c3c2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC001323715079 1387427297 /nfs/dbraw/zinc/42/72/97/1387427297.db2.gz IGYWAEBFCXXXGB-UHFFFAOYSA-N 1 0 349.350 3.067 20 5 EGBDRO O=[N+]([O-])c1ccc2oc(=S)n(CN3CC[C@@H]4OCCC[C@H]4C3)c2c1 ZINC001324060201 1387524006 /nfs/dbraw/zinc/52/40/06/1387524006.db2.gz XFCHSZXKMUDMMR-FZMZJTMJSA-N 1 0 349.412 3.330 20 5 EGBDRO C[NH+](C)[C@@H](CC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC001325299079 1387929827 /nfs/dbraw/zinc/92/98/27/1387929827.db2.gz YMQDDRQLWCIHTM-SFHVURJKSA-N 1 0 339.395 3.130 20 5 EGBDRO CC(C)CCC(=O)N1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001199265191 1369200517 /nfs/dbraw/zinc/20/05/17/1369200517.db2.gz LMYQZDBCCMRIDM-UHFFFAOYSA-N 1 0 333.432 3.112 20 5 EGBDRO C=C/C(C)=C/CC(=O)N1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001202053186 1369676998 /nfs/dbraw/zinc/67/69/98/1369676998.db2.gz AYKSPSJIGFPHAM-OVCLIPMQSA-N 1 0 343.427 3.198 20 5 EGBDRO CC[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC001325870299 1388057798 /nfs/dbraw/zinc/05/77/98/1388057798.db2.gz CYROJUOLVRNLHH-HOTGVXAUSA-N 1 0 348.374 3.215 20 5 EGBDRO O=C(NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CCCCC1)C1CCC1 ZINC001115377127 1370416478 /nfs/dbraw/zinc/41/64/78/1370416478.db2.gz AZIFEMBOMADLFS-UHFFFAOYSA-N 1 0 345.443 3.304 20 5 EGBDRO C[C@@]1(c2nc(-c3cc4ccccc4c4ccccc34)no2)C[NH2+]C[C@@H]1O ZINC001204858109 1370592095 /nfs/dbraw/zinc/59/20/95/1370592095.db2.gz NRQJQSHBBRSYTF-GHTZIAJQSA-N 1 0 345.402 3.265 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCC[N@@H+]3CCC[C@H]3C2)c(Br)c1 ZINC001116131668 1370844640 /nfs/dbraw/zinc/84/46/40/1370844640.db2.gz FFFUQMDQRKWRDJ-LBPRGKRZSA-N 1 0 340.221 3.032 20 5 EGBDRO COc1cccc2cc(C[NH2+]C[C@@H](O)c3ccc([N+](=O)[O-])cc3)oc21 ZINC001326146567 1388119721 /nfs/dbraw/zinc/11/97/21/1388119721.db2.gz MKTZMKMWUIYPID-MRXNPFEDSA-N 1 0 342.351 3.173 20 5 EGBDRO C[C@H](CNC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)[N@@H+]1CCCC[C@H]1C ZINC001119778300 1371403846 /nfs/dbraw/zinc/40/38/46/1371403846.db2.gz XZWGZTRKAVDGLM-KNCCTNLNSA-N 1 0 345.443 3.077 20 5 EGBDRO COc1c(O)ccc(C[NH2+]C[C@H]2CCCC(F)(F)C2)c1[N+](=O)[O-] ZINC001120051914 1371469488 /nfs/dbraw/zinc/46/94/88/1371469488.db2.gz GGFNZJWBEONBBX-JTQLQIEISA-N 1 0 330.331 3.224 20 5 EGBDRO [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC001122104183 1372175038 /nfs/dbraw/zinc/17/50/38/1372175038.db2.gz WPZFBMFPBDJPHT-VSZNYVQBSA-N 1 0 337.379 3.152 20 5 EGBDRO COc1ncc(Nc2cccc(C[NH+]3CCCC3)c2)cc1[N+](=O)[O-] ZINC001210138136 1372279501 /nfs/dbraw/zinc/27/95/01/1372279501.db2.gz MOOCABCLYPVEAU-UHFFFAOYSA-N 1 0 328.372 3.338 20 5 EGBDRO Cc1ccc2[nH+]c(N)n(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3C)c2c1 ZINC001211292571 1372522856 /nfs/dbraw/zinc/52/28/56/1372522856.db2.gz NVBOOOXUZJBGRH-UHFFFAOYSA-N 1 0 327.300 3.041 20 5 EGBDRO C[C@@H](OCCC[C@H]1CCC[NH2+]C1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001217830367 1373505340 /nfs/dbraw/zinc/50/53/40/1373505340.db2.gz BQMMVPBWMZQDAG-CHWSQXEVSA-N 1 0 336.388 3.181 20 5 EGBDRO CC1(C)[NH2+][C@@H](CO[C@H](c2ccccc2)c2ccccc2[N+](=O)[O-])CO1 ZINC001217929988 1373513300 /nfs/dbraw/zinc/51/33/00/1373513300.db2.gz MGTKFJUJBSYKIX-MAUKXSAKSA-N 1 0 342.395 3.425 20 5 EGBDRO Cc1cc(Br)c(O[C@H]2C[NH2+]CCC[C@H]2F)cc1[N+](=O)[O-] ZINC001217983752 1373525917 /nfs/dbraw/zinc/52/59/17/1373525917.db2.gz XTXVEZAWHHXHTD-MFKMUULPSA-N 1 0 347.184 3.135 20 5 EGBDRO C[C@@H]1C[NH2+]CCC[C@@H]1Oc1ccc([N+](=O)[O-])cc1Br ZINC001217988526 1373528283 /nfs/dbraw/zinc/52/82/83/1373528283.db2.gz QLXCDDMENCVMJE-SKDRFNHKSA-N 1 0 329.194 3.124 20 5 EGBDRO C[C@H](Oc1ccc(Br)c([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC001218001915 1373531411 /nfs/dbraw/zinc/53/14/11/1373531411.db2.gz HXPJPDPRADVECZ-VIFPVBQESA-N 1 0 329.194 3.124 20 5 EGBDRO Cc1cc(O[C@H]2CC[NH2+]CC[C@@H]2F)c([N+](=O)[O-])cc1Br ZINC001218015756 1373538459 /nfs/dbraw/zinc/53/84/59/1373538459.db2.gz MYRSFXWXONDPRV-JQWIXIFHSA-N 1 0 347.184 3.135 20 5 EGBDRO Cc1cc(Br)c(O[C@H]2CC[NH2+]CC[C@H]2C)cc1[N+](=O)[O-] ZINC001218031289 1373543487 /nfs/dbraw/zinc/54/34/87/1373543487.db2.gz NMIHGIKTQHFKCM-RNCFNFMXSA-N 1 0 343.221 3.433 20 5 EGBDRO O=[N+]([O-])c1cccc(C(F)(F)F)c1O[C@@H]1CCC[C@@H]2C[NH2+]C[C@@H]21 ZINC001218146419 1373569223 /nfs/dbraw/zinc/56/92/23/1373569223.db2.gz MEPQNOGLMYMWRZ-GBIKHYSHSA-N 1 0 330.306 3.381 20 5 EGBDRO Cc1c(Cl)cc([N+](=O)[O-])c(O[C@@H](C)C2C[NH2+]C2)c1Br ZINC001218198781 1373577190 /nfs/dbraw/zinc/57/71/90/1373577190.db2.gz RDUHJGQBMJCTQQ-ZETCQYMHSA-N 1 0 349.612 3.306 20 5 EGBDRO C[C@@H]([NH3+])c1ccc(O[C@H](C)c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC001218215429 1373579632 /nfs/dbraw/zinc/57/96/32/1373579632.db2.gz SGMJNCXOWLVLBK-GHMZBOCLSA-N 1 0 330.340 3.483 20 5 EGBDRO Cc1cc(Br)cc([N+](=O)[O-])c1O[C@H]1C[C@H]2[NH2+]CC[C@H]2C1 ZINC001218250211 1373583778 /nfs/dbraw/zinc/58/37/78/1373583778.db2.gz LHHIVFHIQCFNAJ-MVWJERBFSA-N 1 0 341.205 3.185 20 5 EGBDRO CC1(C)C[NH2+]CC[C@@H]1Oc1ccc([N+](=O)[O-])c(Br)c1 ZINC001218313876 1373593610 /nfs/dbraw/zinc/59/36/10/1373593610.db2.gz DXKQIKXOQIKNFJ-LBPRGKRZSA-N 1 0 329.194 3.124 20 5 EGBDRO O=[N+]([O-])c1cc(F)c(O[C@H]2C[NH2+]CCC23CC3)c(Br)c1 ZINC001218403028 1373608369 /nfs/dbraw/zinc/60/83/69/1373608369.db2.gz HKRDBJBISBKZGM-NSHDSACASA-N 1 0 345.168 3.017 20 5 EGBDRO C[C@H]1CC[C@H](Oc2cc([N+](=O)[O-])c(Br)cc2F)C[NH2+]1 ZINC001218406888 1373608646 /nfs/dbraw/zinc/60/86/46/1373608646.db2.gz OLFLDANNEHSTQG-YUMQZZPRSA-N 1 0 333.157 3.016 20 5 EGBDRO Cc1cc(Br)cc([N+](=O)[O-])c1O[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]12 ZINC001218466108 1373619642 /nfs/dbraw/zinc/61/96/42/1373619642.db2.gz LHANKJGBXJWLDK-IRUJWGPZSA-N 1 0 341.205 3.043 20 5 EGBDRO CCC(=O)c1cc([N+](=O)[O-])ccc1O[C@@H]1C[NH2+]Cc2ccccc21 ZINC001218492140 1373625177 /nfs/dbraw/zinc/62/51/77/1373625177.db2.gz ZRYIYVSUGUXKKJ-GOSISDBHSA-N 1 0 326.352 3.411 20 5 EGBDRO CC1(C)C[NH2+][C@@](C)(C(=O)Nc2cc3cccnc3c3ncccc23)C1 ZINC001218979474 1373673854 /nfs/dbraw/zinc/67/38/54/1373673854.db2.gz MVQRWFZDPGUDJZ-HXUWFJFHSA-N 1 0 334.423 3.500 20 5 EGBDRO CC/C=C(\C)C(=O)NC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001226361500 1375246049 /nfs/dbraw/zinc/24/60/49/1375246049.db2.gz PCYZLBQTUZXEFK-LHHJGKSTSA-N 1 0 331.416 3.032 20 5 EGBDRO O=[N+]([O-])c1cc(OC(F)(F)F)ccc1OC1CC[NH+](C2CC2)CC1 ZINC001227602891 1375451146 /nfs/dbraw/zinc/45/11/46/1375451146.db2.gz AUENTTJFUMAJGX-UHFFFAOYSA-N 1 0 346.305 3.499 20 5 EGBDRO O=[N+]([O-])c1ccncc1O[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC001228881366 1375704646 /nfs/dbraw/zinc/70/46/46/1375704646.db2.gz DJOFBMKPPBIRLU-SOLBZPMBSA-N 1 0 339.395 3.279 20 5 EGBDRO C[C@@H](c1ccccn1)[N@@H+]1CC[C@@H](Oc2ccc([N+](=O)[O-])c(Cl)n2)C1 ZINC001228937978 1375721590 /nfs/dbraw/zinc/72/15/90/1375721590.db2.gz LREHNBCSALOMQL-NWDGAFQWSA-N 1 0 348.790 3.253 20 5 EGBDRO COC(=O)c1ccc2c(O[C@@H](C)C[N+](C)(C)C)ccnc2c1Cl ZINC001229154763 1375775550 /nfs/dbraw/zinc/77/55/50/1375775550.db2.gz GGPUWLISSVSBCZ-NSHDSACASA-N 1 0 337.827 3.148 20 5 EGBDRO C[N@@H+](Cc1c2ccccc2c2cc3ccccc3oc1-2)C[C@@H](O)CO ZINC001231819242 1376319361 /nfs/dbraw/zinc/31/93/61/1376319361.db2.gz QLVIPGKPMZGKFS-OAHLLOKOSA-N 1 0 335.403 3.476 20 5 EGBDRO COC(=O)[C@@]1(C)CC[N@H+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232228642 1376419978 /nfs/dbraw/zinc/41/99/78/1376419978.db2.gz SUTUCFJQNLNTOY-FQEVSTJZSA-N 1 0 335.407 3.168 20 5 EGBDRO CC(C)[N@@H+]1CCC[C@H](Oc2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC001233744672 1376709673 /nfs/dbraw/zinc/70/96/73/1376709673.db2.gz BZJNFPNOPQRAMY-JTQLQIEISA-N 1 0 333.310 3.260 20 5 EGBDRO Cc1cccc(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)c1Cl ZINC001135529106 1377130943 /nfs/dbraw/zinc/13/09/43/1377130943.db2.gz FHJYIQHAOOLLKV-UHFFFAOYSA-N 1 0 347.802 3.076 20 5 EGBDRO COC(=O)[C@@H]1C[N@H+](Cc2c3ccccc3cc3ccccc32)CCN1C ZINC001141728278 1378366584 /nfs/dbraw/zinc/36/65/84/1378366584.db2.gz OZAOPXQGXDHGTF-NRFANRHFSA-N 1 0 348.446 3.282 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCCC[C@H]1[NH+](C)C ZINC001327536722 1388554691 /nfs/dbraw/zinc/55/46/91/1388554691.db2.gz AJXUDNVFHOAANH-GOEBONIOSA-N 1 0 334.420 3.152 20 5 EGBDRO Cc1cc(C)c(C(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)c(C)c1 ZINC001150163489 1379506892 /nfs/dbraw/zinc/50/68/92/1379506892.db2.gz BOSGGPFKFYZETH-UHFFFAOYSA-N 1 0 347.440 3.101 20 5 EGBDRO CCCCCC(C)(C)C(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001151863338 1379802689 /nfs/dbraw/zinc/80/26/89/1379802689.db2.gz IAMMBDNOCLKFDF-UHFFFAOYSA-N 1 0 341.477 3.469 20 5 EGBDRO CC(C)c1ccc(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)s1 ZINC001152778022 1379981006 /nfs/dbraw/zinc/98/10/06/1379981006.db2.gz WWHRSBUGDKPPLK-UHFFFAOYSA-N 1 0 347.440 3.299 20 5 EGBDRO CCC[NH+]1CCC(NC(=O)c2cccc3nc4ccccc4nc32)CC1 ZINC001153870901 1380147694 /nfs/dbraw/zinc/14/76/94/1380147694.db2.gz PVPICIWUOULETO-UHFFFAOYSA-N 1 0 348.450 3.387 20 5 EGBDRO CC1(C)CC([NH3+])CC(C)(C)N1c1cnc2ccc([N+](=O)[O-])cc2n1 ZINC001156770497 1380631666 /nfs/dbraw/zinc/63/16/66/1380631666.db2.gz GCTCQIMULCGSDX-UHFFFAOYSA-N 1 0 329.404 3.023 20 5 EGBDRO CN(CC[N@H+](C)Cc1ccccc1)c1ncc([N+](=O)[O-])cc1Cl ZINC001157551626 1380962340 /nfs/dbraw/zinc/96/23/40/1380962340.db2.gz NJASZZMMIANKNI-UHFFFAOYSA-N 1 0 334.807 3.211 20 5 EGBDRO Cc1c(C)c(N(C)CC[N@H+](C)Cc2ccccc2)ncc1[N+](=O)[O-] ZINC001157554634 1380963657 /nfs/dbraw/zinc/96/36/57/1380963657.db2.gz VNQOZEJRUJWNTR-UHFFFAOYSA-N 1 0 328.416 3.175 20 5 EGBDRO CC1(C)C[C@@H](Nc2cc([N+](=O)[O-])c3cc[nH]c3n2)C[C@@](C)(C[NH3+])C1 ZINC001158263968 1381177416 /nfs/dbraw/zinc/17/74/16/1381177416.db2.gz HLABUMQFLXVZFY-PIGZYNQJSA-N 1 0 331.420 3.427 20 5 EGBDRO CC(C)N(c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1)[C@@H](C)c1ccccc1 ZINC001158478794 1381259314 /nfs/dbraw/zinc/25/93/14/1381259314.db2.gz OSGNZVCRVWNVGX-ZDUSSCGKSA-N 1 0 341.415 3.048 20 5 EGBDRO C[NH+]1CCC(N(c2ncc([N+](=O)[O-])cc2Cl)C2CCCC2)CC1 ZINC001158485791 1381263447 /nfs/dbraw/zinc/26/34/47/1381263447.db2.gz UXYHWLDYQKSTCB-UHFFFAOYSA-N 1 0 338.839 3.486 20 5 EGBDRO Cc1cc(NCC23CC[NH+](CC2)CC3)nc2ccc([N+](=O)[O-])cc12 ZINC001158824245 1381418337 /nfs/dbraw/zinc/41/83/37/1381418337.db2.gz LHGFJUXVROGMJN-UHFFFAOYSA-N 1 0 326.400 3.349 20 5 EGBDRO Cc1ccnc(N[C@@H](Cc2ccccc2)C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC001159654093 1381859602 /nfs/dbraw/zinc/85/96/02/1381859602.db2.gz PSIVRMODZSGVHD-KRWDZBQOSA-N 1 0 340.427 3.417 20 5 EGBDRO C/C=C(\C)C(=O)NCCC1=CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001159754052 1381890766 /nfs/dbraw/zinc/89/07/66/1381890766.db2.gz YAOAONOBTARKKV-CRKCGEKBSA-N 1 0 343.427 3.199 20 5 EGBDRO Nc1ccccc1N(CC1CC[NH2+]CC1)c1ccc(F)c([N+](=O)[O-])c1 ZINC001159894458 1381931205 /nfs/dbraw/zinc/93/12/05/1381931205.db2.gz CNSGYBHYVXWZLL-UHFFFAOYSA-N 1 0 344.390 3.454 20 5 EGBDRO COc1ccc(Nc2ccc(N3CCC[C@H]([NH3+])C3)cc2)cc1[N+](=O)[O-] ZINC001159982057 1381958689 /nfs/dbraw/zinc/95/86/89/1381958689.db2.gz PWPJOFWGRMQKTI-ZDUSSCGKSA-N 1 0 342.399 3.275 20 5 EGBDRO [NH3+][C@H]1CCCN(c2ccc(Nc3ccc(F)cc3[N+](=O)[O-])cc2)C1 ZINC001159986270 1381959614 /nfs/dbraw/zinc/95/96/14/1381959614.db2.gz HSFNVTWTSKQYAI-ZDUSSCGKSA-N 1 0 330.363 3.405 20 5 EGBDRO Cc1ccc2c(C[C@@H](C)[NH3+])cn(-c3ncc(F)cc3[N+](=O)[O-])c2c1 ZINC001160010056 1381966074 /nfs/dbraw/zinc/96/60/74/1381966074.db2.gz CUXOBCAUGMDGMT-LLVKDONJSA-N 1 0 328.347 3.271 20 5 EGBDRO O=[N+]([O-])c1cccc(Nc2cc(F)ccc2N2CC[NH2+]CC2)c1F ZINC001160045148 1381979125 /nfs/dbraw/zinc/97/91/25/1381979125.db2.gz CUMXRJHSWYEACJ-UHFFFAOYSA-N 1 0 334.326 3.026 20 5 EGBDRO COc1ccc(Nc2cccc(F)c2N2CC[C@@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC001160121092 1382003013 /nfs/dbraw/zinc/00/30/13/1382003013.db2.gz BXPVLGNBOQTLMD-LLVKDONJSA-N 1 0 346.362 3.024 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1Nc1ccccc1O[C@@H]1CCC[NH2+]C1 ZINC001160234397 1382042303 /nfs/dbraw/zinc/04/23/03/1382042303.db2.gz WNNHFLDUVOKZLV-CQSZACIVSA-N 1 0 343.383 3.478 20 5 EGBDRO O=[N+]([O-])c1cccc2ccc(N[C@H]3CC[NH2+]C[C@H]3C(F)(F)F)nc21 ZINC001160740513 1382183409 /nfs/dbraw/zinc/18/34/09/1382183409.db2.gz OTAGGNGLIATJMK-MNOVXSKESA-N 1 0 340.305 3.095 20 5 EGBDRO O=[N+]([O-])c1cccc2ccc(NCC[NH+]3CCC(F)(F)CC3)nc21 ZINC001160749301 1382185638 /nfs/dbraw/zinc/18/56/38/1382185638.db2.gz PGPOXZJXGNHQGU-UHFFFAOYSA-N 1 0 336.342 3.286 20 5 EGBDRO COc1cccc2c1c(C[NH3+])cn2-c1ncc([N+](=O)[O-])c(C)c1C ZINC001160763855 1382189462 /nfs/dbraw/zinc/18/94/62/1382189462.db2.gz UVINEQGRHBUMET-UHFFFAOYSA-N 1 0 326.356 3.018 20 5 EGBDRO O=[N+]([O-])c1cc2c(Cl)ncnc2cc1N[C@H]1CC[N@@H+](C2CCC2)C1 ZINC001161177741 1382326203 /nfs/dbraw/zinc/32/62/03/1382326203.db2.gz SSUOYWLGUIGMSS-JTQLQIEISA-N 1 0 347.806 3.230 20 5 EGBDRO CO[C@@H]1CN(C(=O)CCc2c3ccccc3cc3ccccc32)C[C@@H]1[NH3+] ZINC001161493263 1382421723 /nfs/dbraw/zinc/42/17/23/1382421723.db2.gz IDGLPKROLSLDKY-LEWJYISDSA-N 1 0 348.446 3.110 20 5 EGBDRO COc1cc(N(CC(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)ncc1[N+](=O)[O-] ZINC001161674930 1382476955 /nfs/dbraw/zinc/47/69/55/1382476955.db2.gz DGJJOSXZQQSGRE-JOCQHMNTSA-N 1 0 336.436 3.121 20 5 EGBDRO COC(=O)c1cnc(NCC[PH+](C(C)C)C(C)C)c([N+](=O)[O-])c1 ZINC001162359150 1382739902 /nfs/dbraw/zinc/73/99/02/1382739902.db2.gz YINKQQWNKHZSPU-UHFFFAOYSA-N 1 0 341.348 3.487 20 5 EGBDRO Cc1nc(N[C@@H]2CCC[C@@H]([NH3+])C2)c([N+](=O)[O-])c(C)c1Br ZINC001162402701 1382748186 /nfs/dbraw/zinc/74/81/86/1382748186.db2.gz VTZCTDUKWGJSHG-NXEZZACHSA-N 1 0 343.225 3.051 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)c(F)cnc2NC[C@]1(F)CCCC[NH2+]C1 ZINC001162579080 1382797162 /nfs/dbraw/zinc/79/71/62/1382797162.db2.gz FDZOKSWSAMHHMW-INIZCTEOSA-N 1 0 336.342 3.176 20 5 EGBDRO [NH3+][C@@H]1Cc2ccccc2N(c2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC001162849103 1382893798 /nfs/dbraw/zinc/89/37/98/1382893798.db2.gz KJARWZDPSKOGMB-SNVBAGLBSA-N 1 0 338.289 3.030 20 5 EGBDRO O=[N+]([O-])c1cc(NC2CC3(C2)CCC[NH2+]C3)c2ncnc(Cl)c2c1 ZINC001162986539 1382937990 /nfs/dbraw/zinc/93/79/90/1382937990.db2.gz PHVYCDOAFWIFRQ-UHFFFAOYSA-N 1 0 347.806 3.136 20 5 EGBDRO O=[N+]([O-])c1cc(F)cc(Br)c1N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC001162984801 1382938214 /nfs/dbraw/zinc/93/82/14/1382938214.db2.gz QKCXNOFPHZXSEP-WCQYABFASA-N 1 0 344.184 3.193 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@H]2C[NH2+]Cc3ccsc32)c2ccncc21 ZINC001163226767 1382998497 /nfs/dbraw/zinc/99/84/97/1382998497.db2.gz LTAOEQOJDJWLCX-AWEZNQCLSA-N 1 0 326.381 3.461 20 5 EGBDRO COc1cccc([C@H](C[NH3+])Nc2ccc3cccc([N+](=O)[O-])c3n2)c1 ZINC001163306360 1383017174 /nfs/dbraw/zinc/01/71/74/1383017174.db2.gz NLBDZTOFTVFOLI-HNNXBMFYSA-N 1 0 338.367 3.264 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(N2CCN(C)C[C@H]2c2ccccc2)nc1Cl ZINC001163668944 1383099866 /nfs/dbraw/zinc/09/98/66/1383099866.db2.gz GQSQYJIAFVKRHT-HNNXBMFYSA-N 1 0 346.818 3.445 20 5 EGBDRO C[C@H](Nc1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-])c1ccc2ccccc2c1 ZINC001164144049 1383160488 /nfs/dbraw/zinc/16/04/88/1383160488.db2.gz CABXTOYOBSZGPP-LBPRGKRZSA-N 1 0 349.394 3.398 20 5 EGBDRO CN1CCC(CNc2cc3cccnc3c3ncccc23)([NH+](C)C)CC1 ZINC001164213593 1383166774 /nfs/dbraw/zinc/16/67/74/1383166774.db2.gz XPWVWMPLORTNQR-UHFFFAOYSA-N 1 0 349.482 3.221 20 5 EGBDRO CN1CCC(CNc2ccc([N+](=O)[O-])c3ccccc23)([NH+](C)C)CC1 ZINC001164216426 1383167024 /nfs/dbraw/zinc/16/70/24/1383167024.db2.gz AMZKDEIJYOVMNV-UHFFFAOYSA-N 1 0 342.443 3.186 20 5 EGBDRO CC/C(C)=C\C(=O)NCCC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001164446864 1383187676 /nfs/dbraw/zinc/18/76/76/1383187676.db2.gz GDCRLMDNUDHFCB-PTNGSMBKSA-N 1 0 345.443 3.327 20 5 EGBDRO CC[NH+]1CCC(N(C)C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)CC1 ZINC001165069208 1383221744 /nfs/dbraw/zinc/22/17/44/1383221744.db2.gz YHIOJNQAXAYNJD-UHFFFAOYSA-N 1 0 348.781 3.109 20 5 EGBDRO CN(CC[NH+]1CCCC1)c1cc2ccc(Cl)nc2cc1[N+](=O)[O-] ZINC001165141513 1383236212 /nfs/dbraw/zinc/23/62/12/1383236212.db2.gz LAKHAVDKEIWFJI-UHFFFAOYSA-N 1 0 334.807 3.328 20 5 EGBDRO CC(=O)Nc1ccc(N2C[C@H](CC[NH3+])c3ccccc32)cc1[N+](=O)[O-] ZINC001168548961 1383934462 /nfs/dbraw/zinc/93/44/62/1383934462.db2.gz QNFGICNXJZRHIZ-ZDUSSCGKSA-N 1 0 340.383 3.137 20 5 EGBDRO COc1cc(N2C[C@@H](CC[NH3+])c3ccccc32)cc([N+](=O)[O-])c1C ZINC001168550906 1383935363 /nfs/dbraw/zinc/93/53/63/1383935363.db2.gz XILRRCYVVSZUAY-CYBMUJFWSA-N 1 0 327.384 3.496 20 5 EGBDRO CC[N+](C)(C)Cc1ccccc1NCCC(=O)Nc1nccs1 ZINC001168912093 1384056956 /nfs/dbraw/zinc/05/69/56/1384056956.db2.gz LAGHQUWPMCZQGU-UHFFFAOYSA-O 1 0 333.481 3.180 20 5 EGBDRO Cc1cc(C)n(-c2ccc(C[NH2+][C@H]3CC[C@@H](C[N+](=O)[O-])C3)cc2)n1 ZINC001168971856 1384074277 /nfs/dbraw/zinc/07/42/77/1384074277.db2.gz LSYADYSCGROLIN-SJORKVTESA-N 1 0 328.416 3.024 20 5 EGBDRO COc1ccc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)cc1C(F)(F)F ZINC001168979782 1384077498 /nfs/dbraw/zinc/07/74/98/1384077498.db2.gz ZYKFKGOCHIUFDJ-RYUDHWBXSA-N 1 0 332.322 3.249 20 5 EGBDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)cc1C(F)(F)F ZINC001168979781 1384077751 /nfs/dbraw/zinc/07/77/51/1384077751.db2.gz ZYKFKGOCHIUFDJ-NWDGAFQWSA-N 1 0 332.322 3.249 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCc3c2cccc3Br)C1 ZINC001168988020 1384080170 /nfs/dbraw/zinc/08/01/70/1384080170.db2.gz MPCXBQOCNCYGMG-UEKVPHQBSA-N 1 0 339.233 3.471 20 5 EGBDRO Cc1c(Br)cccc1C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168987759 1384080236 /nfs/dbraw/zinc/08/02/36/1384080236.db2.gz KCEJWOIOUWTDJY-AAEUAGOBSA-N 1 0 327.222 3.293 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2cncn2Cc2cccc(Cl)c2)C1 ZINC001168992476 1384080924 /nfs/dbraw/zinc/08/09/24/1384080924.db2.gz JXNILFWZYACBAA-HOCLYGCPSA-N 1 0 348.834 3.120 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2csc(-c3cccc(F)c3)n2)C1 ZINC001169003595 1384085051 /nfs/dbraw/zinc/08/50/51/1384085051.db2.gz OMRQVGAUNQYDFR-RISCZKNCSA-N 1 0 335.404 3.484 20 5 EGBDRO COc1ccccc1CC1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169013393 1384090037 /nfs/dbraw/zinc/09/00/37/1384090037.db2.gz USPWJYUTLKGFDX-WMZOPIPTSA-N 1 0 332.444 3.395 20 5 EGBDRO CC[N@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001169039456 1384097954 /nfs/dbraw/zinc/09/79/54/1384097954.db2.gz PMRMOCKNNMAYIZ-OTWHNJEPSA-N 1 0 331.460 3.028 20 5 EGBDRO COc1cccc(CC2CC[NH+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)c1 ZINC001169038597 1384098034 /nfs/dbraw/zinc/09/80/34/1384098034.db2.gz JCXDLGBLYKXKNN-ROUUACIJSA-N 1 0 332.444 3.395 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCC3(CCc4ccccc4O3)CC2)C1 ZINC001169038818 1384098101 /nfs/dbraw/zinc/09/81/01/1384098101.db2.gz KQGIRJQSIPLTQK-DOTOQJQBSA-N 1 0 330.428 3.292 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CC[C@@]3(CCCN3Cc3ccccc3)C2)C1 ZINC001169042441 1384098936 /nfs/dbraw/zinc/09/89/36/1384098936.db2.gz DLVNTPDMFAGJIP-AQNXPRMDSA-N 1 0 343.471 3.172 20 5 EGBDRO COC(=O)c1ccc([C@@H]2CCCC[N@@H+]2[C@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001169048739 1384100621 /nfs/dbraw/zinc/10/06/21/1384100621.db2.gz BFBPADJPWDQOKN-JLSDUUJJSA-N 1 0 346.427 3.446 20 5 EGBDRO COc1cccc(C[C@@H]2CCC[N@@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C2)c1 ZINC001169050005 1384100693 /nfs/dbraw/zinc/10/06/93/1384100693.db2.gz XVONBSVZIOXOTG-BZSNNMDCSA-N 1 0 332.444 3.395 20 5 EGBDRO COC(=O)c1ccc([N+](=O)[O-])cc1N[C@@H]1CC(C)(C)C[C@](C)(C[NH3+])C1 ZINC001169142547 1384113389 /nfs/dbraw/zinc/11/33/89/1384113389.db2.gz HEVVSEFSWKGGPD-KZULUSFZSA-N 1 0 349.431 3.337 20 5 EGBDRO Cc1ccc2c(ccnc2-n2ncc3c2cccc3C[NH3+])c1[N+](=O)[O-] ZINC001169191505 1384121342 /nfs/dbraw/zinc/12/13/42/1384121342.db2.gz HLFZQJGHTUFDQE-UHFFFAOYSA-N 1 0 333.351 3.249 20 5 EGBDRO Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1ccc2ncc([N+](=O)[O-])n2c1 ZINC001169699287 1384175051 /nfs/dbraw/zinc/17/50/51/1384175051.db2.gz WSRDNCKJPVRFOH-HNNXBMFYSA-N 1 0 337.383 3.483 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+]CC2CCC3(COC3)CC2)c([N+](=O)[O-])c1 ZINC001170309746 1384287607 /nfs/dbraw/zinc/28/76/07/1384287607.db2.gz SCYUZNVKUXYRTD-CQSZACIVSA-N 1 0 348.443 3.331 20 5 EGBDRO COc1ccc(C[C@H](C)N2C[C@@H](C[NH3+])c3ccccc32)c([N+](=O)[O-])c1 ZINC001170315313 1384289414 /nfs/dbraw/zinc/28/94/14/1384289414.db2.gz XBXWRSSCEGLCDJ-DZGCQCFKSA-N 1 0 341.411 3.097 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+][C@@](C)(CO)c2ccccc2)c([N+](=O)[O-])c1 ZINC001170317719 1384290139 /nfs/dbraw/zinc/29/01/39/1384290139.db2.gz KDTNNPAMLAYXLE-LIRRHRJNSA-N 1 0 344.411 3.032 20 5 EGBDRO CC[C@]([NH3+])(CO)Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC001170862629 1384400952 /nfs/dbraw/zinc/40/09/52/1384400952.db2.gz JVLNFDWXLDBFAV-MRXNPFEDSA-N 1 0 333.413 3.215 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]Cc1nccnc1Cl)CC2 ZINC001172897370 1384873515 /nfs/dbraw/zinc/87/35/15/1384873515.db2.gz ZWNLVJVLBMIENI-CYBMUJFWSA-N 1 0 332.791 3.075 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@H]1c3ccccc3C[C@@H]1O)CC2 ZINC001172904334 1384874865 /nfs/dbraw/zinc/87/48/65/1384874865.db2.gz XBBCBTFJDYIKOB-VDGAXYAQSA-N 1 0 338.407 3.090 20 5 EGBDRO CC(C)C[NH+]1CCN([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172902835 1384874923 /nfs/dbraw/zinc/87/49/23/1384874923.db2.gz CWJIZZDTHJAYPF-SFHVURJKSA-N 1 0 331.460 3.116 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CC[C@@H]3CCCO[C@H]3C1)CC2 ZINC001172905612 1384875432 /nfs/dbraw/zinc/87/54/32/1384875432.db2.gz SRFMRDDWQVUZLV-WDYCEAGBSA-N 1 0 330.428 3.343 20 5 EGBDRO CC1(C)C[C@@H]([NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C(C)(C)N1O ZINC001172912083 1384875941 /nfs/dbraw/zinc/87/59/41/1384875941.db2.gz LOUYHZKYVCSGES-NVXWUHKLSA-N 1 0 347.459 3.453 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]Cc1ccc(Cl)nn1)CC2 ZINC001172911604 1384876099 /nfs/dbraw/zinc/87/60/99/1384876099.db2.gz KMGCPRHHGAKECK-ZDUSSCGKSA-N 1 0 332.791 3.075 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1CC[C@@H](N3CCCC3)C1)CC2 ZINC001172912612 1384876121 /nfs/dbraw/zinc/87/61/21/1384876121.db2.gz BXCGKHVQNHWOTP-PKOBYXMFSA-N 1 0 329.444 3.012 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CCCC[C@](O)(CF)C1)CC2 ZINC001172909683 1384876419 /nfs/dbraw/zinc/87/64/19/1384876419.db2.gz UXDRVWJQSLQTHH-AEFFLSMTSA-N 1 0 336.407 3.029 20 5 EGBDRO O=C1CCC2(CC[NH+]([C@@H]3CCc4ccc([N+](=O)[O-])cc4CC3)CC2)O1 ZINC001172914786 1384877386 /nfs/dbraw/zinc/87/73/86/1384877386.db2.gz ITUJOGXQMAUULK-MRXNPFEDSA-N 1 0 344.411 3.014 20 5 EGBDRO COC(=O)[C@]1(C)CCC[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172916945 1384878627 /nfs/dbraw/zinc/87/86/27/1384878627.db2.gz VAMJPTJPXCTNDJ-QFBILLFUSA-N 1 0 346.427 3.117 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@@H]2CCC[C@H](OC)C2)c1F ZINC001173185951 1384932344 /nfs/dbraw/zinc/93/23/44/1384932344.db2.gz QFSMYEBILCSSCH-UPJWGTAASA-N 1 0 340.395 3.221 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+](C)CCc2ccncc2)c1F ZINC001173189213 1384933736 /nfs/dbraw/zinc/93/37/36/1384933736.db2.gz JKLYGUZDNYLLSJ-CYBMUJFWSA-N 1 0 347.390 3.243 20 5 EGBDRO COc1cccc(CC[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)c1OC ZINC001173212638 1384937170 /nfs/dbraw/zinc/93/71/70/1384937170.db2.gz BZXBPPIKILNJCF-AWEZNQCLSA-N 1 0 344.411 3.375 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccn(CC(F)(F)F)n1 ZINC001173223243 1384939175 /nfs/dbraw/zinc/93/91/75/1384939175.db2.gz HIMRCRPRLLXKDB-LLVKDONJSA-N 1 0 342.321 3.074 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2nc(Cl)ncc2C1 ZINC001173227549 1384940254 /nfs/dbraw/zinc/94/02/54/1384940254.db2.gz QMSNSDCTKLERMD-NSHDSACASA-N 1 0 332.791 3.028 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1COc2ccccc2C1 ZINC001173226801 1384940374 /nfs/dbraw/zinc/94/03/74/1384940374.db2.gz ZZQDPPVOCWCAIP-ZBFHGGJFSA-N 1 0 326.396 3.367 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC(C)(C)C(=O)OC(C)(C)C ZINC001173228882 1384940679 /nfs/dbraw/zinc/94/06/79/1384940679.db2.gz LEFBDRWLWZSDQC-CYBMUJFWSA-N 1 0 336.432 3.483 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC001173233326 1384941213 /nfs/dbraw/zinc/94/12/13/1384941213.db2.gz VJCVYHKFUICDTQ-JXFKEZNVSA-N 1 0 340.423 3.469 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(c2ccn(C)n2)CC1 ZINC001173233576 1384941618 /nfs/dbraw/zinc/94/16/18/1384941618.db2.gz XLXZMVYAAWPOMI-CQSZACIVSA-N 1 0 328.416 3.139 20 5 EGBDRO CCOC(=O)[C@H]1CC[C@H]([NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173236172 1384942085 /nfs/dbraw/zinc/94/20/85/1384942085.db2.gz YNIYZBBLDQIDJS-BPUTZDHNSA-N 1 0 334.416 3.237 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cc(F)cc2c1OCOC2 ZINC001173236093 1384942197 /nfs/dbraw/zinc/94/21/97/1384942197.db2.gz WLYZIZHXTOSFBP-LBPRGKRZSA-N 1 0 346.358 3.321 20 5 EGBDRO Cc1cccc(C(=O)NCCC[NH2+]Cc2ccccc2[N+](=O)[O-])c1C ZINC001175071381 1385189468 /nfs/dbraw/zinc/18/94/68/1385189468.db2.gz PFOSIFHSLXNDBJ-UHFFFAOYSA-N 1 0 341.411 3.121 20 5 EGBDRO CC[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001336001047 1388986591 /nfs/dbraw/zinc/98/65/91/1388986591.db2.gz ONUXTQKBXRHVCE-FUHWJXTLSA-N 1 0 332.375 3.378 20 5 EGBDRO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC001318396551 1385670869 /nfs/dbraw/zinc/67/08/69/1385670869.db2.gz IDIITDNKJBQMHX-KBPBESRZSA-N 1 0 340.811 3.243 20 5 EGBDRO CS[C@H]1CC[C@@H]([N@H+](C)Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C1 ZINC001318899439 1385874626 /nfs/dbraw/zinc/87/46/26/1385874626.db2.gz FDSIMGUFKVLYJJ-KGLIPLIRSA-N 1 0 347.444 3.027 20 5 EGBDRO C/C=C(\C)C(=O)NCCCCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001178143947 1386140461 /nfs/dbraw/zinc/14/04/61/1386140461.db2.gz ALSFQIRNYYSQEB-CRKCGEKBSA-N 1 0 333.432 3.327 20 5 EGBDRO COc1ccccc1C1([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CCC1 ZINC001319927529 1386396465 /nfs/dbraw/zinc/39/64/65/1386396465.db2.gz ZRWWQVLNXCOLKV-KRWDZBQOSA-N 1 0 342.395 3.306 20 5 EGBDRO CC(C)(C)Oc1cc(N2CCC[N@@H+]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001320359158 1386586811 /nfs/dbraw/zinc/58/68/11/1386586811.db2.gz IMZSUOBQEHWLKI-OAHLLOKOSA-N 1 0 333.432 3.447 20 5 EGBDRO O=[N+]([O-])c1ccc(Cc2nc([C@@H]3C[NH+]4CCC3CC4)no2)c(Cl)c1 ZINC001320495266 1386626637 /nfs/dbraw/zinc/62/66/37/1386626637.db2.gz HVCMXGPVINCZSG-CYBMUJFWSA-N 1 0 348.790 3.031 20 5 EGBDRO Cn1cc(-c2ccc(C[NH2+]CCc3cccc([N+](=O)[O-])c3)cc2)cn1 ZINC001321074338 1386801625 /nfs/dbraw/zinc/80/16/25/1386801625.db2.gz JPEFENHPMUGCDY-UHFFFAOYSA-N 1 0 336.395 3.328 20 5 EGBDRO [NH2+]=c1ccc2nc3c(cc(NC(=O)[C@H]4CCO4)c4ccccc43)oc-2c1 ZINC001181586972 1387020702 /nfs/dbraw/zinc/02/07/02/1387020702.db2.gz KABUHCRCXFLBFE-MRXNPFEDSA-N 1 0 345.358 3.293 20 5 EGBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]CCCOCc3ccccc3)nc2c1 ZINC001330602591 1389467298 /nfs/dbraw/zinc/46/72/98/1389467298.db2.gz OXSGJLUSRSURCD-UHFFFAOYSA-N 1 0 341.367 3.433 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](C)CC(=O)OC(C)(C)C ZINC001333320234 1390283473 /nfs/dbraw/zinc/28/34/73/1390283473.db2.gz CVCPNOBPFKVHCA-NEPJUHHUSA-N 1 0 338.404 3.374 20 5 EGBDRO COc1c(O)ccc(C[NH2+]CC(C)(C)c2cccs2)c1[N+](=O)[O-] ZINC001342958721 1390677854 /nfs/dbraw/zinc/67/78/54/1390677854.db2.gz BQIBJDVQJDSPEP-UHFFFAOYSA-N 1 0 336.413 3.438 20 5 EGBDRO COC[C@@]1(C)CCN(Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC001344126864 1390757524 /nfs/dbraw/zinc/75/75/24/1390757524.db2.gz RVVFEMXXWKVHKY-AWEZNQCLSA-N 1 0 343.221 3.216 20 5 EGBDRO Cc1cncc([N+](=O)[O-])c1NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC001344499565 1390795451 /nfs/dbraw/zinc/79/54/51/1390795451.db2.gz NQIMNSKRZLHJEA-ZDUSSCGKSA-N 1 0 332.429 3.031 20 5 EGBDRO C[NH+](C)C[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c3ccccc23)C1 ZINC001344853050 1390819477 /nfs/dbraw/zinc/81/94/77/1390819477.db2.gz GRMOOALKTCHSSF-CYBMUJFWSA-N 1 0 342.399 3.163 20 5 EGBDRO CC(C)c1noc(CC[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])n1 ZINC001351793345 1391690826 /nfs/dbraw/zinc/69/08/26/1391690826.db2.gz ACSNFAWORCGMRC-LLVKDONJSA-N 1 0 336.367 3.004 20 5 EGBDRO O=[N+]([O-])c1sc(C[NH2+]CCC2CCOCC2)cc1Br ZINC001352849861 1391860707 /nfs/dbraw/zinc/86/07/07/1391860707.db2.gz MOWBMVUGIITUJK-UHFFFAOYSA-N 1 0 349.250 3.325 20 5 EGBDRO CCCC1(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccccc3[N+](=O)[O-])C2)CCC1 ZINC001752655133 1440198286 /nfs/dbraw/zinc/19/82/86/1440198286.db2.gz LAHDHROCZADSAM-WKILWMFISA-N 1 0 345.443 3.302 20 5 EGBDRO CC[N@H+](CCNC(=O)C1CC2(CCC2)C1)Cc1ccc([N+](=O)[O-])cc1 ZINC001753089729 1440298210 /nfs/dbraw/zinc/29/82/10/1440298210.db2.gz KNRXDFVYZQDKMC-UHFFFAOYSA-N 1 0 345.443 3.113 20 5 EGBDRO CCCC(=O)NCc1ccc(C[NH2+]Cc2ccccc2[N+](=O)[O-])cc1 ZINC001753588628 1440442104 /nfs/dbraw/zinc/44/21/04/1440442104.db2.gz UQKRFYYWPXZATC-UHFFFAOYSA-N 1 0 341.411 3.301 20 5 EGBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)[C@@H](C)C[N@@H+]1C ZINC000485417184 719255154 /nfs/dbraw/zinc/25/51/54/719255154.db2.gz PRXNVKDCVUUWLO-OLZOCXBDSA-N 1 0 344.390 3.325 20 5 EGBDRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000053304043 214176232 /nfs/dbraw/zinc/17/62/32/214176232.db2.gz IIGPVEYWUZGQEJ-GJZGRUSLSA-N 1 0 347.459 3.010 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)NCc2ccccc2)cc1[N+](=O)[O-] ZINC000178679265 232369739 /nfs/dbraw/zinc/36/97/39/232369739.db2.gz NRPHBOVXNLUMHC-CABCVRRESA-N 1 0 341.411 3.259 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)NC2CCCCC2)cc1[N+](=O)[O-] ZINC000178690965 232383030 /nfs/dbraw/zinc/38/30/30/232383030.db2.gz UDUHVCJZAAFBRE-ZIAGYGMSSA-N 1 0 333.432 3.391 20 5 EGBDRO CCC(CC)[N@H+](CCOC)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000102950323 219243578 /nfs/dbraw/zinc/24/35/78/219243578.db2.gz VGAXKZRZIGWDBO-UHFFFAOYSA-N 1 0 348.403 3.282 20 5 EGBDRO C[C@H]([NH2+][C@@H]1CCN(c2ccccc2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000068947969 215347528 /nfs/dbraw/zinc/34/75/28/215347528.db2.gz WSDAFDRKIIUDPW-SUMWQHHRSA-N 1 0 325.368 3.051 20 5 EGBDRO CC[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000037131156 213134888 /nfs/dbraw/zinc/13/48/88/213134888.db2.gz CMDKIQFLYONNBG-UHFFFAOYSA-N 1 0 328.210 3.254 20 5 EGBDRO CCCN(CC[NH+]1CCCCCC1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000345355929 283255898 /nfs/dbraw/zinc/25/58/98/283255898.db2.gz SMFUMPVZHZIVNP-UHFFFAOYSA-N 1 0 333.432 3.323 20 5 EGBDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000072809598 216309546 /nfs/dbraw/zinc/30/95/46/216309546.db2.gz DERGVIXOHYHNOW-HOTGVXAUSA-N 1 0 345.443 3.321 20 5 EGBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000072809711 216310326 /nfs/dbraw/zinc/31/03/26/216310326.db2.gz QLXAJHHCJDKPSE-CVEARBPZSA-N 1 0 345.443 3.321 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)CCc1cccs1 ZINC000072800746 216308323 /nfs/dbraw/zinc/30/83/23/216308323.db2.gz NMMSGLHGDHTCFQ-UHFFFAOYSA-N 1 0 347.440 3.468 20 5 EGBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H](c2ccccc2)C2CC2)c1 ZINC000023678831 212389299 /nfs/dbraw/zinc/38/92/99/212389299.db2.gz ZNSVXXABKYUTSF-MJGOQNOKSA-N 1 0 342.395 3.075 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000193712508 240278268 /nfs/dbraw/zinc/27/82/68/240278268.db2.gz KXDFNZJTNLYLBW-UHFFFAOYSA-N 1 0 334.420 3.288 20 5 EGBDRO CC(C)c1ccc([C@H]([NH3+])CNC(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000236779664 242353546 /nfs/dbraw/zinc/35/35/46/242353546.db2.gz RFEUKWPZBOFKPH-CQSZACIVSA-N 1 0 333.413 3.210 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCS[C@@H](C)[C@H]1C ZINC000246410460 243247324 /nfs/dbraw/zinc/24/73/24/243247324.db2.gz QJGTYLWBSYQZGM-OLZOCXBDSA-N 1 0 337.445 3.058 20 5 EGBDRO Cc1nn(C)c(NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)c1[N+](=O)[O-] ZINC000265097777 247200213 /nfs/dbraw/zinc/20/02/13/247200213.db2.gz CRKUWDIHCPMSLD-LBPRGKRZSA-N 1 0 331.420 3.178 20 5 EGBDRO CCCC(=O)NC[C@H]1CCC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000092707621 218160525 /nfs/dbraw/zinc/16/05/25/218160525.db2.gz GRNAZQBYIJMJNW-MRXNPFEDSA-N 1 0 333.432 3.032 20 5 EGBDRO CC(=O)N(C)C1CC[NH+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000092538518 218148916 /nfs/dbraw/zinc/14/89/16/218148916.db2.gz ZBGUJFWRKZACRY-UHFFFAOYSA-N 1 0 333.432 3.161 20 5 EGBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+](C[C@@H]2CCOC2)C2CC2)c1 ZINC000130059300 285137373 /nfs/dbraw/zinc/13/73/73/285137373.db2.gz VJCHRMUEHPNCNC-NSHDSACASA-N 1 0 342.342 3.197 20 5 EGBDRO CC(C)n1nccc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000112532102 220345640 /nfs/dbraw/zinc/34/56/40/220345640.db2.gz JVGIINIZBPOQCH-QWHCGFSZSA-N 1 0 345.403 3.050 20 5 EGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](c1ccco1)N(C)C ZINC000154150203 224210772 /nfs/dbraw/zinc/21/07/72/224210772.db2.gz BPQCPEQLXRGJJY-RHSMWYFYSA-N 1 0 331.416 3.401 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)N(C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000119093042 221242237 /nfs/dbraw/zinc/24/22/37/221242237.db2.gz JOKIERMTHYHEGC-HNNXBMFYSA-N 1 0 341.411 3.212 20 5 EGBDRO Cc1c(C[NH2+]C(C)(C)C(=O)NCC2CCCC2)cccc1[N+](=O)[O-] ZINC000155145838 224366120 /nfs/dbraw/zinc/36/61/20/224366120.db2.gz YFNNJVACUAQODK-UHFFFAOYSA-N 1 0 333.432 3.078 20 5 EGBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(C(F)(F)F)cc1 ZINC000130987095 533407076 /nfs/dbraw/zinc/40/70/76/533407076.db2.gz HZIHBPXRDVOHSX-SNVBAGLBSA-N 1 0 328.294 3.161 20 5 EGBDRO Cn1cc(-c2ccc(C[NH2+]Cc3ccccc3[N+](=O)[O-])s2)cn1 ZINC000337826274 141063217 /nfs/dbraw/zinc/06/32/17/141063217.db2.gz SZWKJKFJYFIJTL-UHFFFAOYSA-N 1 0 328.397 3.347 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000347947278 141223117 /nfs/dbraw/zinc/22/31/17/141223117.db2.gz XXZUODXCVMHAJN-HNNXBMFYSA-N 1 0 333.432 3.123 20 5 EGBDRO C[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000357977095 141372982 /nfs/dbraw/zinc/37/29/82/141372982.db2.gz AHKFZYNMWGXGBX-CHWSQXEVSA-N 1 0 349.406 3.117 20 5 EGBDRO Cc1nccn1-c1ccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cn1 ZINC000173334986 144039593 /nfs/dbraw/zinc/03/95/93/144039593.db2.gz ZXJIOWYUYNLYNJ-CYBMUJFWSA-N 1 0 337.383 3.335 20 5 EGBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000173604412 144045434 /nfs/dbraw/zinc/04/54/34/144045434.db2.gz NQRDHBSJRHNRHL-LBPRGKRZSA-N 1 0 339.823 3.052 20 5 EGBDRO C[C@H]([NH2+][C@@H]1CC(=O)N(c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000178650983 144073792 /nfs/dbraw/zinc/07/37/92/144073792.db2.gz BIVKTKVCJXHFNZ-DZGCQCFKSA-N 1 0 325.368 3.051 20 5 EGBDRO C[N@H+](Cc1ccccc1)[C@@H](CNc1ccc([N+](=O)[O-])cn1)C1CC1 ZINC000186415358 144132281 /nfs/dbraw/zinc/13/22/81/144132281.db2.gz CNLQOHIULDKPHX-KRWDZBQOSA-N 1 0 326.400 3.312 20 5 EGBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@]3(C2)OCc2ccccc23)cc1 ZINC000186686742 144140935 /nfs/dbraw/zinc/14/09/35/144140935.db2.gz RAZRBOXQVBBIDB-LJQANCHMSA-N 1 0 340.379 3.105 20 5 EGBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@H]2CCCc3c(O)cccc32)cc1 ZINC000192365156 144173805 /nfs/dbraw/zinc/17/38/05/144173805.db2.gz GDHUFSCLFCWZRO-KRWDZBQOSA-N 1 0 328.368 3.346 20 5 EGBDRO C[C@H]1C[C@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC[N@@H+]1C ZINC000344633075 144202453 /nfs/dbraw/zinc/20/24/53/144202453.db2.gz QSBVAVYWRILRAS-DZGCQCFKSA-N 1 0 329.400 3.427 20 5 EGBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000351484478 144268055 /nfs/dbraw/zinc/26/80/55/144268055.db2.gz UMYXTDCLHMSKJK-OLZOCXBDSA-N 1 0 345.399 3.191 20 5 EGBDRO CC1CCC([NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3F)CC2)CC1 ZINC000115255693 152002215 /nfs/dbraw/zinc/00/22/15/152002215.db2.gz CELWWQQIDBTJJT-UHFFFAOYSA-N 1 0 349.406 3.070 20 5 EGBDRO C[S@@](=O)CCC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000116918279 152081805 /nfs/dbraw/zinc/08/18/05/152081805.db2.gz HDUMCIPTYTXYLG-QFIPXVFZSA-N 1 0 338.454 3.182 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCC[C@H]1C(C)C ZINC000117348497 152097325 /nfs/dbraw/zinc/09/73/25/152097325.db2.gz ZIPRVRJVWKEFFC-INIZCTEOSA-N 1 0 349.431 3.443 20 5 EGBDRO C[C@H]([NH2+]CC(=O)N(C)[C@@H](C)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000341595635 155375346 /nfs/dbraw/zinc/37/53/46/155375346.db2.gz OKNGSXJUZYTXDR-GJZGRUSLSA-N 1 0 341.411 3.465 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@@H]3C[C@@H]4OCCC[C@H]34)cs2)c1 ZINC000190329183 153131812 /nfs/dbraw/zinc/13/18/12/153131812.db2.gz ASUQWYPUUDLFNU-OAGGEKHMSA-N 1 0 345.424 3.375 20 5 EGBDRO O=[N+]([O-])c1cccc(OCC[NH+]2CCC(OC3CCCC3)CC2)c1 ZINC000195326720 153393788 /nfs/dbraw/zinc/39/37/88/153393788.db2.gz IYGPWPNBAZWOAC-UHFFFAOYSA-N 1 0 334.416 3.397 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCOCC2(CCOCC2)C1 ZINC000184088416 292295366 /nfs/dbraw/zinc/29/53/66/292295366.db2.gz PHSPSNFSWDEJFT-OAHLLOKOSA-N 1 0 334.416 3.093 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)cnc1N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309678245 154139411 /nfs/dbraw/zinc/13/94/11/154139411.db2.gz XYYAACPZURUVSU-CQSZACIVSA-N 1 0 332.791 3.330 20 5 EGBDRO COc1cc(C[NH2+][C@@H]2CCCC[C@H]2OC(F)F)c([N+](=O)[O-])cc1F ZINC000337394227 154329887 /nfs/dbraw/zinc/32/98/87/154329887.db2.gz IHMWUXBKOGKVFB-DGCLKSJQSA-N 1 0 348.321 3.383 20 5 EGBDRO CC1CC[NH+]([C@@H](CNc2c([N+](=O)[O-])ncn2C)c2ccccc2)CC1 ZINC000345214200 155998800 /nfs/dbraw/zinc/99/88/00/155998800.db2.gz AVGQFHGKSBFLRT-INIZCTEOSA-N 1 0 343.431 3.213 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@@H](C)CCC[C@H]1C ZINC000125165827 162266090 /nfs/dbraw/zinc/26/60/90/162266090.db2.gz CJYNQIOKRWXCHS-QWHCGFSZSA-N 1 0 335.404 3.052 20 5 EGBDRO CC[C@H]([NH2+]Cc1ccc(NC(N)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000130944746 162385467 /nfs/dbraw/zinc/38/54/67/162385467.db2.gz PMVQNXFKVBKDLU-INIZCTEOSA-N 1 0 328.372 3.326 20 5 EGBDRO Cc1c([C@@H](C)[NH2+]Cc2ccccc2OCCO)cccc1[N+](=O)[O-] ZINC000305168912 163075679 /nfs/dbraw/zinc/07/56/79/163075679.db2.gz TWRQCDFFEVHVRH-CQSZACIVSA-N 1 0 330.384 3.125 20 5 EGBDRO COc1ccc(C[NH2+]CC2=Cc3ccccc3OC2)cc1[N+](=O)[O-] ZINC000338707189 163324903 /nfs/dbraw/zinc/32/49/03/163324903.db2.gz KARQANCTDBSWPD-UHFFFAOYSA-N 1 0 326.352 3.169 20 5 EGBDRO CC[N@H+](C)[C@H](C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000343771161 164031109 /nfs/dbraw/zinc/03/11/09/164031109.db2.gz SUIIIEHRAORVQP-KDOFPFPSSA-N 1 0 341.411 3.465 20 5 EGBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000344203273 164125819 /nfs/dbraw/zinc/12/58/19/164125819.db2.gz CZMQZPPEKABCDL-XJKCOSOUSA-N 1 0 349.406 3.211 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](O)CCc1ccccc1 ZINC000344352818 164162325 /nfs/dbraw/zinc/16/23/25/164162325.db2.gz PRFKOOAMBMOPSF-GOSISDBHSA-N 1 0 344.411 3.077 20 5 EGBDRO Cc1c(C[NH2+][C@@H](C)c2cccc(-n3ccnn3)c2)cccc1[N+](=O)[O-] ZINC000348303481 164700805 /nfs/dbraw/zinc/70/08/05/164700805.db2.gz MZSHNDMXTCQRRC-AWEZNQCLSA-N 1 0 337.383 3.335 20 5 EGBDRO CC(C)(C)[N@@H+]1CC[C@](F)(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000350398647 165042564 /nfs/dbraw/zinc/04/25/64/165042564.db2.gz MPLFKKGBIDZVML-MRXNPFEDSA-N 1 0 334.351 3.314 20 5 EGBDRO Cc1[nH+]ccc(N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1Cl ZINC000355088747 166103707 /nfs/dbraw/zinc/10/37/07/166103707.db2.gz HPUVBXYGYRIATD-NSHDSACASA-N 1 0 333.779 3.037 20 5 EGBDRO CCC[C@H]([NH2+]C(C)C)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000355459924 166207967 /nfs/dbraw/zinc/20/79/67/166207967.db2.gz LWVYYCLMJCTHEV-KRWDZBQOSA-N 1 0 333.432 3.253 20 5 EGBDRO C[N@H+](Cc1ccccc1)[C@@H](CNc1ncccc1[N+](=O)[O-])C1CC1 ZINC000359842529 167247080 /nfs/dbraw/zinc/24/70/80/167247080.db2.gz VUPZMSNJBXTQEU-KRWDZBQOSA-N 1 0 326.400 3.312 20 5 EGBDRO CC[NH+](CC)CCCC1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000360691368 167389112 /nfs/dbraw/zinc/38/91/12/167389112.db2.gz VXXPFSREYNOBBE-UHFFFAOYSA-N 1 0 337.420 3.162 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC2(CCC2)CC1 ZINC000367555525 168241624 /nfs/dbraw/zinc/24/16/24/168241624.db2.gz WOELEKRDKZFTIZ-UHFFFAOYSA-N 1 0 347.415 3.198 20 5 EGBDRO COc1ccc(C[N@H+](C)CCCOc2ccc([N+](=O)[O-])cc2)cc1O ZINC000177221514 265241765 /nfs/dbraw/zinc/24/17/65/265241765.db2.gz NYWOLQFIHDGXOG-UHFFFAOYSA-N 1 0 346.383 3.210 20 5 EGBDRO Cc1c(NC(=O)[C@H](C)[N@H+]2C[C@@H]3CCCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000177550270 265262753 /nfs/dbraw/zinc/26/27/53/265262753.db2.gz RRJYFOBSEXPQNS-SOUVJXGZSA-N 1 0 331.416 3.352 20 5 EGBDRO [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000178539912 265323038 /nfs/dbraw/zinc/32/30/38/265323038.db2.gz SQZDXBCFNYYULF-ZWKOTPCHSA-N 1 0 347.459 3.331 20 5 EGBDRO O=[N+]([O-])c1cccc(F)c1CN1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000179499219 265380247 /nfs/dbraw/zinc/38/02/47/265380247.db2.gz NFOAFJHFKDBARG-LBPRGKRZSA-N 1 0 345.378 3.109 20 5 EGBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(N(C)C)nc2)cc1[N+](=O)[O-] ZINC000271168698 266614549 /nfs/dbraw/zinc/61/45/49/266614549.db2.gz TVKXXYFVNPMAPP-CYBMUJFWSA-N 1 0 344.415 3.305 20 5 EGBDRO CC(C)=CCC[C@@H](C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000273380084 267030567 /nfs/dbraw/zinc/03/05/67/267030567.db2.gz CAKPQUVUHXAEPN-CQSZACIVSA-N 1 0 340.445 3.093 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCC1(C)CC[NH+](C)CC1 ZINC000274216357 267200800 /nfs/dbraw/zinc/20/08/00/267200800.db2.gz BUILCRPIJRWIFJ-UHFFFAOYSA-N 1 0 334.420 3.065 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000277900581 267897503 /nfs/dbraw/zinc/89/75/03/267897503.db2.gz LWDOXJRYKFIFIZ-OAHLLOKOSA-N 1 0 333.432 3.288 20 5 EGBDRO COC[C@@H]([NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H]1CCCO1 ZINC000278557244 268038606 /nfs/dbraw/zinc/03/86/06/268038606.db2.gz CAYNMVHLSMCDEN-AEFFLSMTSA-N 1 0 346.383 3.138 20 5 EGBDRO COC[C@@H]([NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@H]1CCCO1 ZINC000278557249 268038862 /nfs/dbraw/zinc/03/88/62/268038862.db2.gz CAYNMVHLSMCDEN-SJLPKXTDSA-N 1 0 346.383 3.138 20 5 EGBDRO C[C@@H](CCO)[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000093311289 274210386 /nfs/dbraw/zinc/21/03/86/274210386.db2.gz UZDMELBIQUDCDG-INIZCTEOSA-N 1 0 328.412 3.410 20 5 EGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](c1ccco1)N(C)C ZINC000154149905 274211786 /nfs/dbraw/zinc/21/17/86/274211786.db2.gz BPQCPEQLXRGJJY-YOEHRIQHSA-N 1 0 331.416 3.401 20 5 EGBDRO Cc1ccc([C@@H](CNC(=O)c2c(C)cccc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000194494245 274756787 /nfs/dbraw/zinc/75/67/87/274756787.db2.gz RTTUHUFQCSJIJR-QGZVFWFLSA-N 1 0 341.411 3.244 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCC([C@H]3CCC[NH2+]3)CC2)c2ccncc21 ZINC000261678015 275035987 /nfs/dbraw/zinc/03/59/87/275035987.db2.gz MNDUBEFHMRLACR-MRXNPFEDSA-N 1 0 326.400 3.111 20 5 EGBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@H](c3ccc(F)cc3)CC2)n1 ZINC000351202653 275040519 /nfs/dbraw/zinc/04/05/19/275040519.db2.gz MLVKCRYZTORPBY-AWEZNQCLSA-N 1 0 332.379 3.200 20 5 EGBDRO CC[NH+](CC)C[C@H](C)Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000041677505 275125032 /nfs/dbraw/zinc/12/50/32/275125032.db2.gz AXGSWBCPKUYUJT-JTQLQIEISA-N 1 0 330.226 3.500 20 5 EGBDRO CC(C)[N@@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000043596698 275129446 /nfs/dbraw/zinc/12/94/46/275129446.db2.gz USSKQOMVKSKCKH-LLVKDONJSA-N 1 0 342.237 3.500 20 5 EGBDRO C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2Br)CC[N@@H+]1C ZINC000090795073 275153496 /nfs/dbraw/zinc/15/34/96/275153496.db2.gz LMFPUPIBWRLKLS-UWVGGRQHSA-N 1 0 328.210 3.252 20 5 EGBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)C1c2ccccc2-c2ccccc21 ZINC000176432338 275200273 /nfs/dbraw/zinc/20/02/73/275200273.db2.gz SVUZDGKASOFMTO-UHFFFAOYSA-N 1 0 334.379 3.493 20 5 EGBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000184824901 275214039 /nfs/dbraw/zinc/21/40/39/275214039.db2.gz OTWXXPCMMRHJSZ-GOEBONIOSA-N 1 0 349.475 3.256 20 5 EGBDRO COC[C@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@H]1CCCO1 ZINC000278660809 275263215 /nfs/dbraw/zinc/26/32/15/275263215.db2.gz NFDOPVUULVLPAE-MAUKXSAKSA-N 1 0 346.383 3.138 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000280007924 275390025 /nfs/dbraw/zinc/39/00/25/275390025.db2.gz LQLHELXDUTWVCB-KBXCAEBGSA-N 1 0 341.411 3.324 20 5 EGBDRO COc1cc(C[NH2+]C[C@H]2CCCC(F)(F)C2)c([N+](=O)[O-])cc1O ZINC000281938112 275590083 /nfs/dbraw/zinc/59/00/83/275590083.db2.gz HTGZDSFWCNHXTG-JTQLQIEISA-N 1 0 330.331 3.224 20 5 EGBDRO O=[N+]([O-])c1cc2c(ncnc2NCCC[NH2+]C2CCCCC2)s1 ZINC000286211468 275965215 /nfs/dbraw/zinc/96/52/15/275965215.db2.gz SFTKJCOXVPBAPC-UHFFFAOYSA-N 1 0 335.433 3.324 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000289098145 276290427 /nfs/dbraw/zinc/29/04/27/276290427.db2.gz PLGMHFJGJLKCDH-ZFWWWQNUSA-N 1 0 346.431 3.302 20 5 EGBDRO C[C@@H](Cn1cccn1)[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000289776154 276392413 /nfs/dbraw/zinc/39/24/13/276392413.db2.gz KQSJKQPLMFBTFU-VIFPVBQESA-N 1 0 329.187 3.276 20 5 EGBDRO CO[C@](C)(C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)C1CC1 ZINC000291073450 276584908 /nfs/dbraw/zinc/58/49/08/276584908.db2.gz SFNYTOUJMWQNEU-OAHLLOKOSA-N 1 0 330.331 3.101 20 5 EGBDRO CC(C)c1ccc(C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000190063361 278033462 /nfs/dbraw/zinc/03/34/62/278033462.db2.gz OUVDJAXLWHQWRP-JSGCOSHPSA-N 1 0 331.416 3.073 20 5 EGBDRO CC(C)c1ccc(C[NH2+][C@@H]2CCO[C@@]3(CCOC3)C2)cc1[N+](=O)[O-] ZINC000374288684 278037341 /nfs/dbraw/zinc/03/73/41/278037341.db2.gz QUJPZNYPCIQNMW-QAPCUYQASA-N 1 0 334.416 3.146 20 5 EGBDRO C[C@H](C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000352707423 278151257 /nfs/dbraw/zinc/15/12/57/278151257.db2.gz AXUKTXVABLAIMY-OWCLPIDISA-N 1 0 347.459 3.295 20 5 EGBDRO C[C@H](C[NH+]1CCCCCC1)NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000347246928 278188218 /nfs/dbraw/zinc/18/82/18/278188218.db2.gz ANMWUTDUCOXPRY-GFCCVEGCSA-N 1 0 338.383 3.120 20 5 EGBDRO CC[C@H]([NH2+]CCCN1C[C@H](C)O[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000248066384 288040296 /nfs/dbraw/zinc/04/02/96/288040296.db2.gz ZOIYPBFYGVFJHD-MPGHIAIKSA-N 1 0 335.448 3.135 20 5 EGBDRO Cc1c(Br)c(N2CCc3c[nH+]ccc32)ncc1[N+](=O)[O-] ZINC000347467545 280198564 /nfs/dbraw/zinc/19/85/64/280198564.db2.gz UJHNXWBELUOXIF-UHFFFAOYSA-N 1 0 335.161 3.150 20 5 EGBDRO O=[N+]([O-])c1cc2c(ncnc2N2CCC[C@H]2C[NH+]2CCCCC2)s1 ZINC000376462396 280361315 /nfs/dbraw/zinc/36/13/15/280361315.db2.gz PWBYKFQGFHAQPM-LBPRGKRZSA-N 1 0 347.444 3.054 20 5 EGBDRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1ccc([N+](=O)[O-])s1)[NH+](C)C ZINC000357845391 281360667 /nfs/dbraw/zinc/36/06/67/281360667.db2.gz CQCMJGXJLADJNO-MLGOLLRUSA-N 1 0 347.440 3.386 20 5 EGBDRO CC[NH+](CC)CCN(CC(C)C)C(=O)c1csc([N+](=O)[O-])c1 ZINC000058903874 307350391 /nfs/dbraw/zinc/35/03/91/307350391.db2.gz DPMUTDPQUQJLQI-UHFFFAOYSA-N 1 0 327.450 3.096 20 5 EGBDRO CO[C@@H]1COC[C@@H]1[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000414175581 309064706 /nfs/dbraw/zinc/06/47/06/309064706.db2.gz CKYHSJQXIZGNNN-CORIIIEPSA-N 1 0 348.424 3.388 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]CCNC(=O)CC2CCCC2)cc1[N+](=O)[O-] ZINC000153651203 307777842 /nfs/dbraw/zinc/77/78/42/307777842.db2.gz GQIBMNILDNXJOR-AWEZNQCLSA-N 1 0 333.432 3.250 20 5 EGBDRO CO[C@@](C)([C@H](C)[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000414219635 309067213 /nfs/dbraw/zinc/06/72/13/309067213.db2.gz AZZNVHFYNGXTBR-LXIYXOSZSA-N 1 0 349.431 3.105 20 5 EGBDRO CO[C@@](C)([C@@H](C)[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000414228773 309067662 /nfs/dbraw/zinc/06/76/62/309067662.db2.gz MHUSYAQBMHHCQJ-JCGVRSQUSA-N 1 0 349.431 3.105 20 5 EGBDRO CC(C)(C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)OCC1CC1 ZINC000414252192 309068873 /nfs/dbraw/zinc/06/88/73/309068873.db2.gz CPEBZNVSIAVAKS-GJZGRUSLSA-N 1 0 336.436 3.070 20 5 EGBDRO C[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000246059496 307964463 /nfs/dbraw/zinc/96/44/63/307964463.db2.gz ZAKOGDBLLRXUNA-RLFYNMQTSA-N 1 0 344.411 3.116 20 5 EGBDRO CCC(C)(C)[C@H]1CCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248468651 308004275 /nfs/dbraw/zinc/00/42/75/308004275.db2.gz UETZFJMLDHKXRR-RHSMWYFYSA-N 1 0 336.432 3.235 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H]1[C@H](C)CCC[C@@H]1C ZINC000248588410 308006240 /nfs/dbraw/zinc/00/62/40/308006240.db2.gz QOIOPGKBJBOVFY-MCBXIFIFSA-N 1 0 349.431 3.346 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1CCC[C@H](C)[C@@H]1C ZINC000249338631 308022766 /nfs/dbraw/zinc/02/27/66/308022766.db2.gz RRYDKDVEONGIEF-KCQAQPDRSA-N 1 0 349.431 3.346 20 5 EGBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000255631043 308056307 /nfs/dbraw/zinc/05/63/07/308056307.db2.gz JBDIVOAGDLCWDA-YFWYWMRJSA-N 1 0 343.427 3.085 20 5 EGBDRO CC(C)(CCC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)[N+](=O)[O-] ZINC000294663657 308243562 /nfs/dbraw/zinc/24/35/62/308243562.db2.gz WOYNSVQDUFWGKA-UHFFFAOYSA-N 1 0 347.459 3.489 20 5 EGBDRO C[C@H](C[C@H](O)c1ccccc1)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294776647 308255851 /nfs/dbraw/zinc/25/58/51/308255851.db2.gz NONXHMUCIFZRJS-VFVRVIDISA-N 1 0 329.400 3.340 20 5 EGBDRO CCOC(=O)c1cc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)[nH]c1C ZINC000294910272 308270641 /nfs/dbraw/zinc/27/06/41/308270641.db2.gz AOELXCBIBZHZPT-NSHDSACASA-N 1 0 331.372 3.259 20 5 EGBDRO C[C@H](CC(C)(C)O)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000295094397 308290453 /nfs/dbraw/zinc/29/04/53/308290453.db2.gz RWWVHKCCOBWSPI-LLVKDONJSA-N 1 0 335.429 3.357 20 5 EGBDRO Cc1nc(NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)ncc1[N+](=O)[O-] ZINC000295423732 308325528 /nfs/dbraw/zinc/32/55/28/308325528.db2.gz FFJYVKFDVXLHEG-ZDUSSCGKSA-N 1 0 347.444 3.079 20 5 EGBDRO CC[C@](C[NH2+]Cc1csc([N+](=O)[O-])c1)(C(=O)OC)c1ccccc1 ZINC000414590062 309091004 /nfs/dbraw/zinc/09/10/04/309091004.db2.gz QUJKHNISNHLQQP-QGZVFWFLSA-N 1 0 348.424 3.267 20 5 EGBDRO CC(C)C[C@@H]([NH3+])c1noc(C(F)(F)c2ccc([N+](=O)[O-])cc2)n1 ZINC000414627067 309092344 /nfs/dbraw/zinc/09/23/44/309092344.db2.gz YROXAEYZMTXORV-LLVKDONJSA-N 1 0 326.303 3.164 20 5 EGBDRO C[C@H](CC(=O)N1CCCCCC1)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296059806 308389306 /nfs/dbraw/zinc/38/93/06/308389306.db2.gz PGZZKZMQIJKDCW-CABCVRRESA-N 1 0 333.432 3.427 20 5 EGBDRO COc1ccc(-c2ccc(CN(C)C3(C[NH3+])CCC3)o2)c([N+](=O)[O-])c1 ZINC000414775865 309100256 /nfs/dbraw/zinc/10/02/56/309100256.db2.gz CIPAZZUSTNEGOL-UHFFFAOYSA-N 1 0 345.399 3.177 20 5 EGBDRO CC[C@@H](CNc1ncc(Br)cc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000301699347 308711392 /nfs/dbraw/zinc/71/13/92/308711392.db2.gz ROECGROQTONJNK-NSHDSACASA-N 1 0 343.225 3.039 20 5 EGBDRO O=[N+]([O-])c1cc(F)c(N2CC[C@H](C[NH+]3CCCCC3)C2)c(F)c1 ZINC000301799592 308715719 /nfs/dbraw/zinc/71/57/19/308715719.db2.gz SFGTXFQKKRMNOI-GFCCVEGCSA-N 1 0 325.359 3.185 20 5 EGBDRO Cc1cc(NCC2CC[NH+](C)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301828883 308717273 /nfs/dbraw/zinc/71/72/73/308717273.db2.gz OQIFRBVVTNROFV-UHFFFAOYSA-N 1 0 341.415 3.114 20 5 EGBDRO O=[N+]([O-])c1cnc(N2CCC[N@H+](CC3CCCCC3)CC2)c(F)c1 ZINC000413068170 309014441 /nfs/dbraw/zinc/01/44/41/309014441.db2.gz KUXYITDJSCZWGN-UHFFFAOYSA-N 1 0 336.411 3.221 20 5 EGBDRO C[C@@H](Nc1ncc([N+](=O)[O-])cc1C(F)(F)F)C(C)(C)C[NH+](C)C ZINC000413171267 309019479 /nfs/dbraw/zinc/01/94/79/309019479.db2.gz ZQHVELVGDPQBOG-SECBINFHSA-N 1 0 334.342 3.397 20 5 EGBDRO C[C@@H](Nc1ncc([N+](=O)[O-])cc1F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000413242321 309023267 /nfs/dbraw/zinc/02/32/67/309023267.db2.gz UNAKITDNTNXZHF-HIFRSBDPSA-N 1 0 344.390 3.451 20 5 EGBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000413509115 309034977 /nfs/dbraw/zinc/03/49/77/309034977.db2.gz YALVBMVXRKGZHV-HNONPPJISA-N 1 0 345.443 3.030 20 5 EGBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000413509117 309035032 /nfs/dbraw/zinc/03/50/32/309035032.db2.gz YALVBMVXRKGZHV-XDKFSHSGSA-N 1 0 345.443 3.030 20 5 EGBDRO CC[C@@H]([NH3+])CNCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000414977446 309112452 /nfs/dbraw/zinc/11/24/52/309112452.db2.gz KCOTZARMMLWWSM-OAHLLOKOSA-N 1 0 328.416 3.190 20 5 EGBDRO [NH3+]C[C@@H](NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C1CCCC1 ZINC000415043670 309116194 /nfs/dbraw/zinc/11/61/94/309116194.db2.gz AWBNZHCHCIEVLQ-QGZVFWFLSA-N 1 0 329.400 3.462 20 5 EGBDRO C[C@@H]1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@@H]1C[NH3+] ZINC000415128458 309122345 /nfs/dbraw/zinc/12/23/45/309122345.db2.gz NYJWRSWRLIKHQU-OCCSQVGLSA-N 1 0 346.456 3.135 20 5 EGBDRO [NH3+][C@H]1CCC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000415434338 309133347 /nfs/dbraw/zinc/13/33/47/309133347.db2.gz HPCYRJQHDIOGJX-IUCAKERBSA-N 1 0 346.309 3.005 20 5 EGBDRO CN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)C(C)(C)C[NH+]1CCCC1 ZINC000416094184 309158291 /nfs/dbraw/zinc/15/82/91/309158291.db2.gz LKJMQJWKTDVRNT-UHFFFAOYSA-N 1 0 339.823 3.195 20 5 EGBDRO C[C@@H](CCN1CCOCC1)[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417310293 309201175 /nfs/dbraw/zinc/20/11/75/309201175.db2.gz LATYINBAHCGQAF-HNAYVOBHSA-N 1 0 347.459 3.063 20 5 EGBDRO CC(=O)N1CCC[C@@H](C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000417334346 309202186 /nfs/dbraw/zinc/20/21/86/309202186.db2.gz RIHRVJCYPUZFLL-HNAYVOBHSA-N 1 0 345.443 3.210 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(=O)n1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000418956998 309258879 /nfs/dbraw/zinc/25/88/79/309258879.db2.gz CZLQQLAQIMOQNV-UHFFFAOYSA-N 1 0 341.411 3.099 20 5 EGBDRO CC[C@H]([NH2+]CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@@H]1CC1(C)C ZINC000419309181 309264229 /nfs/dbraw/zinc/26/42/29/309264229.db2.gz BQYBICPZUQNBFJ-KBPBESRZSA-N 1 0 349.431 3.346 20 5 EGBDRO Cc1cc(N2CCC([C@@H](C)[NH3+])CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420216516 309277319 /nfs/dbraw/zinc/27/73/19/309277319.db2.gz MAYDONMELYESCT-SNVBAGLBSA-N 1 0 331.338 3.486 20 5 EGBDRO COc1ccc(NC(=O)C[N@@H+]2CC[C@H](C3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000420964434 309304676 /nfs/dbraw/zinc/30/46/76/309304676.db2.gz PMJAWMPLYIHFGS-AWEZNQCLSA-N 1 0 347.415 3.054 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000421457110 309325363 /nfs/dbraw/zinc/32/53/63/309325363.db2.gz RYYHEEWVMSLNDF-GOSISDBHSA-N 1 0 341.411 3.244 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000421749689 309338272 /nfs/dbraw/zinc/33/82/72/309338272.db2.gz RIAGIDFBPJMUJX-UHFFFAOYSA-N 1 0 333.432 3.062 20 5 EGBDRO COC1([C@H](C)[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCOCC1 ZINC000421868095 309344378 /nfs/dbraw/zinc/34/43/78/309344378.db2.gz QFNOQYIYSQFNJD-GUYCJALGSA-N 1 0 334.416 3.146 20 5 EGBDRO CCc1ccc([C@@H](NC[C@@H]([NH3+])C(C)C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000423265871 309393164 /nfs/dbraw/zinc/39/31/64/309393164.db2.gz DEATYUWIVPRJSH-AEFFLSMTSA-N 1 0 331.416 3.413 20 5 EGBDRO CCCNC(=O)C1([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCCCC1 ZINC000428090511 309542057 /nfs/dbraw/zinc/54/20/57/309542057.db2.gz LLNLTNXSBOODGD-NTMALXAHSA-N 1 0 345.443 3.427 20 5 EGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@H]2CCC(F)(F)C2)n1 ZINC000430742348 309616585 /nfs/dbraw/zinc/61/65/85/309616585.db2.gz WETAZUFABIXCAW-YNEHKIRRSA-N 1 0 328.363 3.300 20 5 EGBDRO O=[N+]([O-])c1cc(Br)ccc1NCC12CCC[NH+]1CCC2 ZINC000439131725 309827000 /nfs/dbraw/zinc/82/70/00/309827000.db2.gz IJHWJQMSOSBIDH-UHFFFAOYSA-N 1 0 340.221 3.398 20 5 EGBDRO COCc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000447536071 309981176 /nfs/dbraw/zinc/98/11/76/309981176.db2.gz KVIHLANAHAHQKI-SJORKVTESA-N 1 0 344.415 3.211 20 5 EGBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]Cc2ccc(F)c(F)c2)n1 ZINC000447544493 309981662 /nfs/dbraw/zinc/98/16/62/309981662.db2.gz VSFJODHRVGIBOG-GJZGRUSLSA-N 1 0 336.342 3.343 20 5 EGBDRO CSc1cc(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)ccn1 ZINC000447586987 309983267 /nfs/dbraw/zinc/98/32/67/309983267.db2.gz PMRVMUXOOIPWAH-UONOGXRCSA-N 1 0 347.444 3.182 20 5 EGBDRO COc1ccc(CC[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])cc1OC ZINC000449064059 310034050 /nfs/dbraw/zinc/03/40/50/310034050.db2.gz SKYRHBBHGUHXEO-AWEZNQCLSA-N 1 0 344.411 3.375 20 5 EGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCN1CCc2ccccc2C1 ZINC000449073643 310034959 /nfs/dbraw/zinc/03/49/59/310034959.db2.gz SQOBCWATLLIQCG-MRXNPFEDSA-N 1 0 339.439 3.174 20 5 EGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](CO)Cc1ccc(F)cc1 ZINC000449094817 310036743 /nfs/dbraw/zinc/03/67/43/310036743.db2.gz UKBIQYKPGNRKQY-ZBFHGGJFSA-N 1 0 346.402 3.106 20 5 EGBDRO C[NH2+][C@H](CC(C)(C)C)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000449165677 310041669 /nfs/dbraw/zinc/04/16/69/310041669.db2.gz WZHANYQUWQZJTL-OAHLLOKOSA-N 1 0 333.432 3.110 20 5 EGBDRO CCc1nn(C)c(CC)c1C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449207572 310044601 /nfs/dbraw/zinc/04/46/01/310044601.db2.gz NBKVYYMLKXAVEE-CYBMUJFWSA-N 1 0 330.432 3.174 20 5 EGBDRO CO[C@H](C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000449394766 310058365 /nfs/dbraw/zinc/05/83/65/310058365.db2.gz RJXCEMUQNCIDSE-QAPCUYQASA-N 1 0 328.412 3.373 20 5 EGBDRO Cc1nn(C)c(C)c1C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000449498810 310066971 /nfs/dbraw/zinc/06/69/71/310066971.db2.gz LEPJAUJHEFRMQC-INIZCTEOSA-N 1 0 328.416 3.325 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](Cc3c[nH]c4nccnc34)C2)cc1 ZINC000449500532 310067174 /nfs/dbraw/zinc/06/71/74/310067174.db2.gz NTAVYKNICPOKRE-AWEZNQCLSA-N 1 0 337.383 3.197 20 5 EGBDRO CC[C@@H]([NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1)[C@@H](C)O ZINC000449534612 310069766 /nfs/dbraw/zinc/06/97/66/310069766.db2.gz CMWRVFLMAVUSLT-IAQYHMDHSA-N 1 0 334.372 3.112 20 5 EGBDRO COc1cccnc1C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000449745638 310083803 /nfs/dbraw/zinc/08/38/03/310083803.db2.gz CQHXDTMZZGMNGH-GDBMZVCRSA-N 1 0 341.411 3.499 20 5 EGBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(c2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000450363100 310117924 /nfs/dbraw/zinc/11/79/24/310117924.db2.gz HZEDTVCCTMUYDJ-HNNXBMFYSA-N 1 0 340.427 3.311 20 5 EGBDRO CC[N@@H+]1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)[C@@H](C)C1 ZINC000450531194 310128482 /nfs/dbraw/zinc/12/84/82/310128482.db2.gz RRFCRRGZKIAVDG-LBPRGKRZSA-N 1 0 332.429 3.249 20 5 EGBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(c2nccc3c2cccc3[N+](=O)[O-])C[C@@H](C)C1 ZINC000450542812 310129058 /nfs/dbraw/zinc/12/90/58/310129058.db2.gz VOAJQADHNKATPS-IYOUNJFTSA-N 1 0 340.427 3.310 20 5 EGBDRO CCOc1cc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)ccc1[N+](=O)[O-] ZINC000450870694 310147061 /nfs/dbraw/zinc/14/70/61/310147061.db2.gz ZLLAHIHPAPEDSE-ZTFGCOKTSA-N 1 0 346.427 3.431 20 5 EGBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@H](c2ccc(F)c(Cl)c2)C2CC2)n1 ZINC000451357054 310173982 /nfs/dbraw/zinc/17/39/82/310173982.db2.gz SGKZDRGJYJPEDJ-HNNXBMFYSA-N 1 0 338.770 3.325 20 5 EGBDRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@H]2CCC23CCCC3)c([N+](=O)[O-])c1 ZINC000451451708 310179017 /nfs/dbraw/zinc/17/90/17/310179017.db2.gz BFRMBBRLWVKBIL-WBMJQRKESA-N 1 0 347.415 3.243 20 5 EGBDRO CC1(C)[C@H]([NH2+]Cc2c(F)cc([N+](=O)[O-])cc2F)[C@H]2CCCO[C@H]21 ZINC000451474275 310180036 /nfs/dbraw/zinc/18/00/36/310180036.db2.gz AJVGHNPHLIJQJR-VCTAVGKDSA-N 1 0 326.343 3.166 20 5 EGBDRO C[C@@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451549213 310185306 /nfs/dbraw/zinc/18/53/06/310185306.db2.gz PEJIBUSZAQBODJ-WBVHZDCISA-N 1 0 345.443 3.175 20 5 EGBDRO CC1CCN(C(=O)C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000451553627 310185939 /nfs/dbraw/zinc/18/59/39/310185939.db2.gz YFEHXZJVDICAAA-KRWDZBQOSA-N 1 0 345.443 3.033 20 5 EGBDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000451832452 310199589 /nfs/dbraw/zinc/19/95/89/310199589.db2.gz BWAQNTIOUAGDOT-JTQLQIEISA-N 1 0 347.337 3.072 20 5 EGBDRO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCC[C@@H](C)C1 ZINC000452062942 310209958 /nfs/dbraw/zinc/20/99/58/310209958.db2.gz UZXGGMWPCFCTAB-QKPAOTATSA-N 1 0 336.432 3.139 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCO[C@H](c3ccnn3C)C2)cc1[N+](=O)[O-] ZINC000453328205 310271166 /nfs/dbraw/zinc/27/11/66/310271166.db2.gz BSGHQTUAZISIPV-YEWWUXTCSA-N 1 0 344.415 3.208 20 5 EGBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000454930634 310336315 /nfs/dbraw/zinc/33/63/15/310336315.db2.gz SXFNTXJMQXXEGZ-AWEZNQCLSA-N 1 0 334.420 3.208 20 5 EGBDRO C[NH+](C)[C@H]1CCc2cc(NC(=O)Cc3ccc([N+](=O)[O-])cc3)ccc21 ZINC000456264382 310395540 /nfs/dbraw/zinc/39/55/40/310395540.db2.gz NBHHXMSHUJAGJJ-SFHVURJKSA-N 1 0 339.395 3.325 20 5 EGBDRO CC1(C)C[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC(C)(C)C1 ZINC000466934617 310664092 /nfs/dbraw/zinc/66/40/92/310664092.db2.gz FEGWLPSXCQTVFQ-CQSZACIVSA-N 1 0 336.432 3.093 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCCOCC1CCOCC1 ZINC000468624439 310691335 /nfs/dbraw/zinc/69/13/35/310691335.db2.gz ACLAULSQZQCVIW-VBKFSLOCSA-N 1 0 348.443 3.421 20 5 EGBDRO CSC1(C[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000468623032 310691473 /nfs/dbraw/zinc/69/14/73/310691473.db2.gz UNRUUEHXFUJPQX-UVTDQMKNSA-N 1 0 336.457 3.500 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCC(=O)N1CCCCCC1 ZINC000468653347 310691556 /nfs/dbraw/zinc/69/15/56/310691556.db2.gz VWMNHLOVZWYZOP-SSZFMOIBSA-N 1 0 345.443 3.380 20 5 EGBDRO C[NH+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)C1 ZINC000485394596 310976663 /nfs/dbraw/zinc/97/66/63/310976663.db2.gz IXEYYHZGQRTQOR-CYBMUJFWSA-N 1 0 344.390 3.184 20 5 EGBDRO Cc1ccc(C[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)c(=O)n1C ZINC000487196559 311015273 /nfs/dbraw/zinc/01/52/73/311015273.db2.gz ZSKUCKQSYXHBCK-UHFFFAOYSA-N 1 0 329.400 3.015 20 5 EGBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])c3cccnc32)CC[N@@H+](C2CCC2)C1 ZINC000488716945 311075905 /nfs/dbraw/zinc/07/59/05/311075905.db2.gz TVDXADLDPBIGSH-AWEZNQCLSA-N 1 0 340.427 3.454 20 5 EGBDRO C[C@@H]1CN(c2ccc3ncccc3c2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000488721105 311076455 /nfs/dbraw/zinc/07/64/55/311076455.db2.gz RDYDCIYVFYOTKA-AWEZNQCLSA-N 1 0 340.427 3.454 20 5 EGBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)C[C@@H](C)C1 ZINC000488727142 311076575 /nfs/dbraw/zinc/07/65/75/311076575.db2.gz ATYCFVRBPMZCES-SUNYJGFJSA-N 1 0 340.427 3.310 20 5 EGBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(c2nc3ccccc3cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488751550 311078543 /nfs/dbraw/zinc/07/85/43/311078543.db2.gz PRHDGGBEGKGBBN-VBQJREDUSA-N 1 0 340.427 3.310 20 5 EGBDRO Cc1cc(N2CC[C@]3(CC[N@@H+](C)C3)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000488764358 311079257 /nfs/dbraw/zinc/07/92/57/311079257.db2.gz GTHNLNAGZMBPDN-HNNXBMFYSA-N 1 0 343.349 3.454 20 5 EGBDRO C[NH+](C)CCc1ccc(NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)cc1 ZINC000491434341 311178754 /nfs/dbraw/zinc/17/87/54/311178754.db2.gz HFPGQCWQDLPJHY-GHXNOFRVSA-N 1 0 339.395 3.351 20 5 EGBDRO CCCC[C@H]1CCC[C@@H]1[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000492846903 311298541 /nfs/dbraw/zinc/29/85/41/311298541.db2.gz KNNXMUPNCFIAQH-YOEHRIQHSA-N 1 0 345.443 3.432 20 5 EGBDRO CC(C)(C(=O)NCC[N@@H+]1CCCC(C)(C)C1)c1ccccc1[N+](=O)[O-] ZINC000508094877 312088563 /nfs/dbraw/zinc/08/85/63/312088563.db2.gz JFFNCPGWIYHDQH-UHFFFAOYSA-N 1 0 347.459 3.111 20 5 EGBDRO COc1ccc(C(=O)CC[N@H+](C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000511128635 312155654 /nfs/dbraw/zinc/15/56/54/312155654.db2.gz XTBHQYAGYYLFNW-UHFFFAOYSA-N 1 0 342.395 3.351 20 5 EGBDRO COc1ccc(CN2CC[NH+](CCC(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000515511879 312287156 /nfs/dbraw/zinc/28/71/56/312287156.db2.gz ZHTLDONHXNAMDN-UHFFFAOYSA-N 1 0 335.448 3.157 20 5 EGBDRO CNc1ccc(C(=O)Nc2cc(C[NH+](C)C)ccc2C)cc1[N+](=O)[O-] ZINC000530659023 313569705 /nfs/dbraw/zinc/56/97/05/313569705.db2.gz SXXRNRHDQLUMNM-UHFFFAOYSA-N 1 0 342.399 3.259 20 5 EGBDRO CCCc1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1 ZINC000537587182 314191831 /nfs/dbraw/zinc/19/18/31/314191831.db2.gz IWWHGLHFIUQEDK-UHFFFAOYSA-N 1 0 340.427 3.265 20 5 EGBDRO C[C@H](NC(=O)CC[N@H+](C)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000548715203 315038105 /nfs/dbraw/zinc/03/81/05/315038105.db2.gz GKSWEQKWWPTQRW-AWEZNQCLSA-N 1 0 333.432 3.427 20 5 EGBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000549405247 315089690 /nfs/dbraw/zinc/08/96/90/315089690.db2.gz DGYJAEALXFHQDI-CQSZACIVSA-N 1 0 343.349 3.284 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC(C)(C)[C@@H]2CCC[C@@H]21 ZINC000550073728 315115450 /nfs/dbraw/zinc/11/54/50/315115450.db2.gz WUUOTQIIIRTRKS-KGLIPLIRSA-N 1 0 331.416 3.352 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](CO)Cc1ccc(F)cc1 ZINC000552923050 315237530 /nfs/dbraw/zinc/23/75/30/315237530.db2.gz FYLHTHZZFWUQGK-XJKSGUPXSA-N 1 0 332.375 3.297 20 5 EGBDRO CC(C)c1ccc(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000560517024 315701560 /nfs/dbraw/zinc/70/15/60/315701560.db2.gz QYWXGZAZWHLEBS-GOSISDBHSA-N 1 0 344.411 3.248 20 5 EGBDRO C[C@@H](C(=O)NC[C@H](C1CCCCC1)[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000562926716 315922233 /nfs/dbraw/zinc/92/22/33/315922233.db2.gz UXDWDSKKJJRNLH-RDTXWAMCSA-N 1 0 347.459 3.325 20 5 EGBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@@H]1CCCc2ccccc21 ZINC000564066748 316108312 /nfs/dbraw/zinc/10/83/12/316108312.db2.gz DBBNLTJOULCNCD-DOTOQJQBSA-N 1 0 342.395 3.002 20 5 EGBDRO COc1ccc(C[NH2+][C@H]2CCC[C@@H](c3ccnn3C)C2)cc1[N+](=O)[O-] ZINC000568353907 316762467 /nfs/dbraw/zinc/76/24/67/316762467.db2.gz DRIXDQFIRIXQGT-CABCVRRESA-N 1 0 344.415 3.153 20 5 EGBDRO Cc1ccccc1OC[C@H](O)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181831068 323506688 /nfs/dbraw/zinc/50/66/88/323506688.db2.gz XSUMAFRWDXQCLQ-NVXWUHKLSA-N 1 0 344.411 3.302 20 5 EGBDRO CCOc1cccc2cc([C@@H](C)[NH2+]CCn3cc([N+](=O)[O-])cn3)oc21 ZINC000182036153 323521269 /nfs/dbraw/zinc/52/12/69/323521269.db2.gz VIUNLRQHIKDSHY-GFCCVEGCSA-N 1 0 344.371 3.287 20 5 EGBDRO CCCC[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc(OC)cc1 ZINC000182139381 323528445 /nfs/dbraw/zinc/52/84/45/323528445.db2.gz WMAJXPFWXAPIFB-MRXNPFEDSA-N 1 0 332.404 3.321 20 5 EGBDRO CCC[C@]1([NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])CCOC1 ZINC000381099129 324244847 /nfs/dbraw/zinc/24/48/47/324244847.db2.gz GOGJLZQVEFGREZ-AWEZNQCLSA-N 1 0 343.221 3.406 20 5 EGBDRO C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000389824378 324279913 /nfs/dbraw/zinc/27/99/13/324279913.db2.gz NYGXLZKQEXKXGL-OXQOHEQNSA-N 1 0 339.439 3.247 20 5 EGBDRO C[C@@H](C(=O)N1CCC([NH+]2CCCCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000576688747 324664101 /nfs/dbraw/zinc/66/41/01/324664101.db2.gz UFWJONLLZIDQRG-OAHLLOKOSA-N 1 0 345.443 3.175 20 5 EGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCC2(CC[NH2+]C2)CC1 ZINC000576929284 324708369 /nfs/dbraw/zinc/70/83/69/324708369.db2.gz IUBCMKUUZZYRAE-UHFFFAOYSA-N 1 0 329.322 3.194 20 5 EGBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCc2ccccc2CC1 ZINC000577319613 324784693 /nfs/dbraw/zinc/78/46/93/324784693.db2.gz YWKROMAFIGRSMP-CQSZACIVSA-N 1 0 339.395 3.023 20 5 EGBDRO CCC[NH+]1CCC(NC(=O)Nc2cc([N+](=O)[O-])ccc2CC)CC1 ZINC000578875408 325031608 /nfs/dbraw/zinc/03/16/08/325031608.db2.gz OSIGZPZDELMHHJ-UHFFFAOYSA-N 1 0 334.420 3.153 20 5 EGBDRO O=[N+]([O-])c1cccc(OCC[N@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@H]2O)c1 ZINC000579430954 325107413 /nfs/dbraw/zinc/10/74/13/325107413.db2.gz BIBJOTCYJJRGBO-IPMKNSEASA-N 1 0 348.443 3.379 20 5 EGBDRO CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000580425150 325248818 /nfs/dbraw/zinc/24/88/18/325248818.db2.gz OMCSGYVMBVCURJ-CYBMUJFWSA-N 1 0 344.415 3.023 20 5 EGBDRO COCC[NH+]1CCC(Nc2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000580460441 325254281 /nfs/dbraw/zinc/25/42/81/325254281.db2.gz VMSFJVARLFDNRG-UHFFFAOYSA-N 1 0 348.230 3.424 20 5 EGBDRO CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000581210059 325341740 /nfs/dbraw/zinc/34/17/40/325341740.db2.gz VFFUKWOPAWNTPS-RHSMWYFYSA-N 1 0 333.432 3.031 20 5 EGBDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000581344695 325352809 /nfs/dbraw/zinc/35/28/09/325352809.db2.gz NJBBIKAEAJQSSR-QAPCUYQASA-N 1 0 347.459 3.325 20 5 EGBDRO C[C@@H](C(=O)Nc1ccccc1CC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000581700797 325383442 /nfs/dbraw/zinc/38/34/42/325383442.db2.gz AFEQFVINWDVXOL-CQSZACIVSA-N 1 0 341.411 3.441 20 5 EGBDRO C[NH2+][C@H](CC(C)(C)C)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000581887168 325396641 /nfs/dbraw/zinc/39/66/41/325396641.db2.gz HAZQPPJRWZKNDM-MRXNPFEDSA-N 1 0 333.432 3.110 20 5 EGBDRO COc1cc(C[N@H+](C)CC(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000352725824 457561994 /nfs/dbraw/zinc/56/19/94/457561994.db2.gz RCTJQXHFYGUDHL-UHFFFAOYSA-N 1 0 332.347 3.335 20 5 EGBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000173108592 455233014 /nfs/dbraw/zinc/23/30/14/455233014.db2.gz XVSKHOWSCOZOSU-IYBDPMFKSA-N 1 0 347.459 3.012 20 5 EGBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@H](c2cccc(F)c2)C2CCCC2)n1 ZINC000180998723 455274646 /nfs/dbraw/zinc/27/46/46/455274646.db2.gz OUTUUJIMJLMCJY-KRWDZBQOSA-N 1 0 332.379 3.452 20 5 EGBDRO COc1cc(CNc2cc(C(F)(F)F)ccn2)cc([N+](=O)[O-])c1[O-] ZINC000184045219 455349245 /nfs/dbraw/zinc/34/92/45/455349245.db2.gz MHHDNBRMIABQLH-UHFFFAOYSA-N 1 0 343.261 3.335 20 5 EGBDRO COC(=O)c1cc(-c2cc(C)cc3c2CC[NH2+]C3)cc([N+](=O)[O-])c1 ZINC000600789216 460605815 /nfs/dbraw/zinc/60/58/15/460605815.db2.gz SMFXIFBMACHNKL-UHFFFAOYSA-N 1 0 326.352 3.003 20 5 EGBDRO C[NH2+]CC1(c2ccc(-c3cc(C(=O)OC)cc([N+](=O)[O-])c3)cc2)CC1 ZINC000600788602 460604971 /nfs/dbraw/zinc/60/49/71/460604971.db2.gz PHPXAAIIYOFHBR-UHFFFAOYSA-N 1 0 340.379 3.299 20 5 EGBDRO [NH3+]CC1(Cc2ccc(-c3cc([N+](=O)[O-])ccc3CCO)cc2)CC1 ZINC000600793761 460607269 /nfs/dbraw/zinc/60/72/69/460607269.db2.gz OXNMDNBYDRJGGO-UHFFFAOYSA-N 1 0 326.396 3.078 20 5 EGBDRO CC[NH+](CC)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000016468862 453608598 /nfs/dbraw/zinc/60/85/98/453608598.db2.gz JPAJCIWHWDOFOO-GOSISDBHSA-N 1 0 341.411 3.408 20 5 EGBDRO O=C(NCC1([NH+]2CCCCC2)CCCCC1)c1ccc([N+](=O)[O-])o1 ZINC000022414043 453691856 /nfs/dbraw/zinc/69/18/56/453691856.db2.gz DTJJMENCRHQIER-UHFFFAOYSA-N 1 0 335.404 3.106 20 5 EGBDRO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1ccc([N+](=O)[O-])s1 ZINC000023738777 453716026 /nfs/dbraw/zinc/71/60/26/453716026.db2.gz JKCTXDUQLWZNLS-CQSZACIVSA-N 1 0 345.424 3.223 20 5 EGBDRO COc1cc(C[NH2+][C@@](C)(CO)C2CCCCC2)c([N+](=O)[O-])cc1F ZINC000184220763 455363853 /nfs/dbraw/zinc/36/38/53/455363853.db2.gz POPZDHWAJOOSJX-KRWDZBQOSA-N 1 0 340.395 3.163 20 5 EGBDRO COc1cccc(C[N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000026221987 453795078 /nfs/dbraw/zinc/79/50/78/453795078.db2.gz LVAHCCQFIGRSBA-UHFFFAOYSA-N 1 0 343.383 3.064 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CCc3ccccc3)CC2)c(F)c1 ZINC000029584601 453829982 /nfs/dbraw/zinc/82/99/82/453829982.db2.gz UHZQQNXDJUUIHR-UHFFFAOYSA-N 1 0 329.375 3.099 20 5 EGBDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000081533168 453883718 /nfs/dbraw/zinc/88/37/18/453883718.db2.gz XRUYSFUQRPVXMM-LJQANCHMSA-N 1 0 325.412 3.301 20 5 EGBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000075541071 453902868 /nfs/dbraw/zinc/90/28/68/453902868.db2.gz JBFDBIDFJDCSDT-NSHDSACASA-N 1 0 340.811 3.054 20 5 EGBDRO Cc1ccc(C[NH2+]Cc2ccccc2Cn2ccnc2)cc1[N+](=O)[O-] ZINC000075758127 453924231 /nfs/dbraw/zinc/92/42/31/453924231.db2.gz NQHKYPOFYVDGBC-UHFFFAOYSA-N 1 0 336.395 3.438 20 5 EGBDRO O=[N+]([O-])c1ccc(C[N@H+](CCc2ccccc2)[C@H]2CCOC2)cc1 ZINC000084133301 453971623 /nfs/dbraw/zinc/97/16/23/453971623.db2.gz FQHILISBHUORGN-IBGZPJMESA-N 1 0 326.396 3.428 20 5 EGBDRO CCc1ccc([C@H]([NH2+]C[C@H]2CCOC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000612407720 460623295 /nfs/dbraw/zinc/62/32/95/460623295.db2.gz WBTRSABNNDTYGD-FZKQIMNGSA-N 1 0 330.384 3.466 20 5 EGBDRO C[NH+](C)[C@H](CNc1ccc2cc([N+](=O)[O-])ccc2n1)c1ccco1 ZINC000068658556 454041406 /nfs/dbraw/zinc/04/14/06/454041406.db2.gz WKLCVQHALAPSQZ-OAHLLOKOSA-N 1 0 326.356 3.451 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000056520225 454064242 /nfs/dbraw/zinc/06/42/42/454064242.db2.gz MGLITSRLVFSGSK-JSGCOSHPSA-N 1 0 334.420 3.145 20 5 EGBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CC[N@@H+](C3CC3)C2)c(Br)c1 ZINC000043596567 454069347 /nfs/dbraw/zinc/06/93/47/454069347.db2.gz ZNJCZBQSEPOSJH-JTQLQIEISA-N 1 0 340.221 3.254 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H]1CC(C)C ZINC000130357999 454193387 /nfs/dbraw/zinc/19/33/87/454193387.db2.gz SYBNIHRLYDUBOK-ZDUSSCGKSA-N 1 0 335.404 3.052 20 5 EGBDRO Cc1c(C[NH2+][C@H](C)c2ccc3c(c2)NC(=O)CO3)cccc1[N+](=O)[O-] ZINC000095984469 454250481 /nfs/dbraw/zinc/25/04/81/454250481.db2.gz IMDOWEAFPLYADE-GFCCVEGCSA-N 1 0 341.367 3.085 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000120042183 454251724 /nfs/dbraw/zinc/25/17/24/454251724.db2.gz AMCZWADSKYCFQX-UHFFFAOYSA-N 1 0 346.431 3.304 20 5 EGBDRO Cc1cc(C(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000059890539 454263363 /nfs/dbraw/zinc/26/33/63/454263363.db2.gz CTBVRDMEXGLYPY-ACJLOTCBSA-N 1 0 333.432 3.144 20 5 EGBDRO Cc1cccc(C(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000059890322 454263509 /nfs/dbraw/zinc/26/35/09/454263509.db2.gz OEKGOXQJHGQYEC-SCLBCKFNSA-N 1 0 333.432 3.144 20 5 EGBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000090107494 454279705 /nfs/dbraw/zinc/27/97/05/454279705.db2.gz GNNPLJPCZBANIJ-HOCLYGCPSA-N 1 0 340.427 3.433 20 5 EGBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000046761722 454282295 /nfs/dbraw/zinc/28/22/95/454282295.db2.gz GAIZPAQEGNKMKD-GASCZTMLSA-N 1 0 348.447 3.474 20 5 EGBDRO CC[NH+](CC)[C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000078635889 454290264 /nfs/dbraw/zinc/29/02/64/454290264.db2.gz IWBJPDLRUFGWNE-NSHDSACASA-N 1 0 348.428 3.387 20 5 EGBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCN(C3CCCCC3)C2=O)cccc1[N+](=O)[O-] ZINC000090464300 454309051 /nfs/dbraw/zinc/30/90/51/454309051.db2.gz MHZICRRFUNXZHO-WMLDXEAASA-N 1 0 345.443 3.487 20 5 EGBDRO COc1ccc(C[N@H+](C)Cc2ccccc2N(C)C)cc1[N+](=O)[O-] ZINC000072599770 454316058 /nfs/dbraw/zinc/31/60/58/454316058.db2.gz TUVRMKDYXXBOBP-UHFFFAOYSA-N 1 0 329.400 3.301 20 5 EGBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccccc1C(F)(F)F ZINC000090538116 454318861 /nfs/dbraw/zinc/31/88/61/454318861.db2.gz IKPLNRAHXWHOLI-SNVBAGLBSA-N 1 0 328.294 3.161 20 5 EGBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000072697414 454328829 /nfs/dbraw/zinc/32/88/29/454328829.db2.gz HOODXDCXBUPSGM-BETUJISGSA-N 1 0 333.388 3.156 20 5 EGBDRO CC[C@H](NC(=O)N1CC[N@H+](C)C[C@H]1C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000090684912 454335561 /nfs/dbraw/zinc/33/55/61/454335561.db2.gz OGRVVNFGVQSRIQ-IRXDYDNUSA-N 1 0 348.447 3.028 20 5 EGBDRO Cc1cnccc1CC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000090846823 454345218 /nfs/dbraw/zinc/34/52/18/454345218.db2.gz JDJLIEXGUFZXEX-GOSISDBHSA-N 1 0 325.412 3.452 20 5 EGBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(c2nc3sccn3c2[N+](=O)[O-])C1 ZINC000047253491 454347219 /nfs/dbraw/zinc/34/72/19/454347219.db2.gz PINIYVXDKMVSKU-JHJVBQTASA-N 1 0 349.460 3.146 20 5 EGBDRO CC[NH+](CC)[C@H]1CCN(c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000062984515 454390743 /nfs/dbraw/zinc/39/07/43/454390743.db2.gz UDGAQEMPCGCSPS-LBPRGKRZSA-N 1 0 342.237 3.278 20 5 EGBDRO CC(C)(C)[N@@H+]1CCCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC000063724614 454440821 /nfs/dbraw/zinc/44/08/21/454440821.db2.gz YZVUMKROCKZPBB-UHFFFAOYSA-N 1 0 344.415 3.023 20 5 EGBDRO CC(C)n1c(Sc2ccc([N+](=O)[O-])cc2)nnc1[C@@H]1CCC[NH2+]C1 ZINC000091484002 454441401 /nfs/dbraw/zinc/44/14/01/454441401.db2.gz ZIZNWRJVBDJFQG-GFCCVEGCSA-N 1 0 347.444 3.385 20 5 EGBDRO C[N@@H+]1CCC[C@H]2CN(c3ccc4cc([N+](=O)[O-])ccc4n3)CC[C@@H]21 ZINC000133738010 454461632 /nfs/dbraw/zinc/46/16/32/454461632.db2.gz GACHPUKPAUQXHJ-YOEHRIQHSA-N 1 0 326.400 3.064 20 5 EGBDRO O=C(CCc1cccc([N+](=O)[O-])c1)Nc1cccc(-n2ccnc2)c1 ZINC000121786909 454476302 /nfs/dbraw/zinc/47/63/02/454476302.db2.gz IRDAUROQGRMKPS-UHFFFAOYSA-N 1 0 336.351 3.352 20 5 EGBDRO COc1ccc(-c2ccc(C[N@H+](CCO)CC3CC3)o2)c([N+](=O)[O-])c1 ZINC000092506051 454577873 /nfs/dbraw/zinc/57/78/73/454577873.db2.gz JFWJYJOEWJVCIY-UHFFFAOYSA-N 1 0 346.383 3.068 20 5 EGBDRO O=C(C[NH2+]C1(c2ccccc2)CCC1)Nc1ccccc1[N+](=O)[O-] ZINC000104665180 454594036 /nfs/dbraw/zinc/59/40/36/454594036.db2.gz LFMBGMDLXYYNSV-UHFFFAOYSA-N 1 0 325.368 3.202 20 5 EGBDRO C[NH+]1CCC(CCNc2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000092631823 454597774 /nfs/dbraw/zinc/59/77/74/454597774.db2.gz APXCWFDTRHWMEX-UHFFFAOYSA-N 1 0 329.347 3.340 20 5 EGBDRO C[N@H+](CC1CC1)C[C@H]1CCN(c2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000080606265 454605329 /nfs/dbraw/zinc/60/53/29/454605329.db2.gz JWORABGNIQCKQQ-OAHLLOKOSA-N 1 0 340.427 3.311 20 5 EGBDRO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000051050849 454606671 /nfs/dbraw/zinc/60/66/71/454606671.db2.gz NPECKJWZBVVWIM-WBVHZDCISA-N 1 0 347.459 3.154 20 5 EGBDRO COc1ccc(C[N@H+](C)CCOc2ccccc2[N+](=O)[O-])cc1OC ZINC000051454649 454625619 /nfs/dbraw/zinc/62/56/19/454625619.db2.gz CGLPLBMGLJSLKN-UHFFFAOYSA-N 1 0 346.383 3.123 20 5 EGBDRO CC[NH+](CC)CCN(CCC(F)(F)F)c1ccc([N+](=O)[O-])c(C)n1 ZINC000135133269 454637178 /nfs/dbraw/zinc/63/71/78/454637178.db2.gz VELFSZKDWAYTPR-UHFFFAOYSA-N 1 0 348.369 3.399 20 5 EGBDRO Cn1cc(C[NH2+]C[C@H]2Cc3ccccc32)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000105444544 454638948 /nfs/dbraw/zinc/63/89/48/454638948.db2.gz DPJNIVQLOLCGJI-MRXNPFEDSA-N 1 0 348.406 3.425 20 5 EGBDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000081126453 454690058 /nfs/dbraw/zinc/69/00/58/454690058.db2.gz USKULHWRFDBRSJ-HNNXBMFYSA-N 1 0 345.424 3.003 20 5 EGBDRO Cc1ccc([C@H](CNc2nc(C)ccc2[N+](=O)[O-])[NH+]2CCCC2)o1 ZINC000124009264 454693708 /nfs/dbraw/zinc/69/37/08/454693708.db2.gz LFDRYNGTOTYBNX-HNNXBMFYSA-N 1 0 330.388 3.449 20 5 EGBDRO CN(Cc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCCc2c1cnn2C ZINC000135646504 454695900 /nfs/dbraw/zinc/69/59/00/454695900.db2.gz QOIHCSPXKKMEMO-AWEZNQCLSA-N 1 0 334.807 3.491 20 5 EGBDRO Cc1cccc(OC[C@H](O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000152895481 454737785 /nfs/dbraw/zinc/73/77/85/454737785.db2.gz RTCGSCGUMJEEDE-JKSUJKDBSA-N 1 0 344.411 3.302 20 5 EGBDRO CSc1ccc(C(=O)Nc2cc(C[NH+](C)C)ccn2)cc1[N+](=O)[O-] ZINC000176943936 454802128 /nfs/dbraw/zinc/80/21/28/454802128.db2.gz PWVPZBQJWFAIGM-UHFFFAOYSA-N 1 0 346.412 3.026 20 5 EGBDRO CC[C@@H]([NH2+]C[C@@H](O)c1ccc(OC)cc1)c1cccc([N+](=O)[O-])c1 ZINC000125446210 454822661 /nfs/dbraw/zinc/82/26/61/454822661.db2.gz FVIDTROFYXUGGL-QZTJIDSGSA-N 1 0 330.384 3.378 20 5 EGBDRO Cc1cc(C(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)cc([N+](=O)[O-])c1 ZINC000163256576 454834851 /nfs/dbraw/zinc/83/48/51/454834851.db2.gz HBTXNTWLWFFRDU-HNNXBMFYSA-N 1 0 333.432 3.001 20 5 EGBDRO C[C@@H](CNC(=O)c1cccc(Cl)c1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000175707374 455484930 /nfs/dbraw/zinc/48/49/30/455484930.db2.gz SPOXEZQZMGATQR-LBPRGKRZSA-N 1 0 339.823 3.100 20 5 EGBDRO CC[NH+](CC)[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)CC(C)C ZINC000112915477 454905783 /nfs/dbraw/zinc/90/57/83/454905783.db2.gz YWWYNLZCHIEQQE-KRWDZBQOSA-N 1 0 335.448 3.010 20 5 EGBDRO COc1cccc(C2([NH2+]Cc3ccc(OC)c([N+](=O)[O-])c3)CC2)c1 ZINC000150886374 454907677 /nfs/dbraw/zinc/90/76/77/454907677.db2.gz PWYFEDQXQLHULT-UHFFFAOYSA-N 1 0 328.368 3.391 20 5 EGBDRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)C2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000126761044 454916642 /nfs/dbraw/zinc/91/66/42/454916642.db2.gz QJKQIEMDWZHTRK-CZUORRHYSA-N 1 0 331.416 3.037 20 5 EGBDRO C[C@@H](CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)[N@H+](C)C1CC1 ZINC000113337399 454923065 /nfs/dbraw/zinc/92/30/65/454923065.db2.gz XNBBONPBNBJLBQ-LBPRGKRZSA-N 1 0 346.456 3.291 20 5 EGBDRO CC[C@H](C)[C@H](O)C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000113342525 454924179 /nfs/dbraw/zinc/92/41/79/454924179.db2.gz MVAUNEMBTAEULC-XHDPSFHLSA-N 1 0 335.429 3.215 20 5 EGBDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000178291909 454945585 /nfs/dbraw/zinc/94/55/85/454945585.db2.gz IEXWJBJPIFSNQQ-CYBMUJFWSA-N 1 0 335.429 3.255 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@H]1Cc2ccccc2[C@@H]1O)C1CC1 ZINC000178353173 454951361 /nfs/dbraw/zinc/95/13/61/454951361.db2.gz NLJCRGRFNZFEHS-BJLQDIEVSA-N 1 0 338.407 3.164 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(N2CCC(CCC[NH+]3CCCC3)CC2)n1 ZINC000178561311 454962200 /nfs/dbraw/zinc/96/22/00/454962200.db2.gz USGXYRRGGHYBJE-UHFFFAOYSA-N 1 0 332.448 3.391 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000151352600 454973341 /nfs/dbraw/zinc/97/33/41/454973341.db2.gz XOXHWCPUMDQEAR-LDHYMBSASA-N 1 0 334.441 3.252 20 5 EGBDRO CC[C@@H](Cc1ccccc1)[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000128640136 455074013 /nfs/dbraw/zinc/07/40/13/455074013.db2.gz HOPNLPYMSHZMJX-KRWDZBQOSA-N 1 0 341.411 3.147 20 5 EGBDRO CCS(=O)(=O)c1ccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000179948817 455104069 /nfs/dbraw/zinc/10/40/69/455104069.db2.gz AUOXGLCEJLVCMM-CYBMUJFWSA-N 1 0 348.424 3.239 20 5 EGBDRO Cc1cc(C)n(CCC[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000156339195 455106570 /nfs/dbraw/zinc/10/65/70/455106570.db2.gz BXTBLCZZGLDVIQ-SFHVURJKSA-N 1 0 342.443 3.409 20 5 EGBDRO CC[C@H]1CCCC[C@@H]1[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000118983801 455119054 /nfs/dbraw/zinc/11/90/54/455119054.db2.gz CGRSPSKXNLBWGW-ZFWWWQNUSA-N 1 0 349.431 3.490 20 5 EGBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000172417631 455152742 /nfs/dbraw/zinc/15/27/42/455152742.db2.gz FIDUFFUVGMSUBM-DHZHZOJOSA-N 1 0 343.427 3.085 20 5 EGBDRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000237439492 455185125 /nfs/dbraw/zinc/18/51/25/455185125.db2.gz ZQRCBZFHOABHJJ-WFASDCNBSA-N 1 0 333.432 3.234 20 5 EGBDRO C[C@@H]1C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000245424056 455294200 /nfs/dbraw/zinc/29/42/00/455294200.db2.gz JVRAAKCNCNOJBI-BJZITVGISA-N 1 0 342.395 3.028 20 5 EGBDRO C[C@@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000245698665 455359388 /nfs/dbraw/zinc/35/93/88/455359388.db2.gz CRFLUSMCZBJGGT-ZIAGYGMSSA-N 1 0 328.416 3.473 20 5 EGBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1cccc2ccccc21 ZINC000181650935 455367276 /nfs/dbraw/zinc/36/72/76/455367276.db2.gz UCELWAAWTNMBCK-CQSZACIVSA-N 1 0 337.379 3.261 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@H](C[NH+](CC)CC)C1 ZINC000175280841 455433951 /nfs/dbraw/zinc/43/39/51/455433951.db2.gz GRYXSATVYNCKEF-OAHLLOKOSA-N 1 0 335.448 3.157 20 5 EGBDRO CCS(=O)(=O)CCCCC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000191062646 455435735 /nfs/dbraw/zinc/43/57/35/455435735.db2.gz CHECYOBKASSBEQ-CQSZACIVSA-N 1 0 342.461 3.159 20 5 EGBDRO CC(C)[N@H+](C)CCNC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000160192344 455436501 /nfs/dbraw/zinc/43/65/01/455436501.db2.gz KNQWEDAUHIADFJ-UHFFFAOYSA-N 1 0 348.325 3.075 20 5 EGBDRO C[C@H](NC(=O)NCC[C@H](C)[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000184886653 455467280 /nfs/dbraw/zinc/46/72/80/455467280.db2.gz ZMLOVQSLGIFACI-GJZGRUSLSA-N 1 0 348.447 3.220 20 5 EGBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@@H](Cc2ccccc2)c2cccs2)n1 ZINC000184973116 455479305 /nfs/dbraw/zinc/47/93/05/455479305.db2.gz KUPTYZRZKHBQBJ-HNNXBMFYSA-N 1 0 342.424 3.426 20 5 EGBDRO CC[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccc(Cl)cc1 ZINC000182307210 455484892 /nfs/dbraw/zinc/48/48/92/455484892.db2.gz BAAMAVDYAPOUEI-HNNXBMFYSA-N 1 0 335.791 3.151 20 5 EGBDRO CCOC(=O)[C@](C)(C[NH2+]Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000191632325 455505333 /nfs/dbraw/zinc/50/53/33/455505333.db2.gz YTJRWDJNXRQMBZ-LJQANCHMSA-N 1 0 342.395 3.205 20 5 EGBDRO CC[NH+](CC)[C@@H](CNC(=O)c1c(F)cccc1[N+](=O)[O-])c1ccco1 ZINC000601019503 460678005 /nfs/dbraw/zinc/67/80/05/460678005.db2.gz CQJBVJYGWYCYRB-AWEZNQCLSA-N 1 0 349.362 3.140 20 5 EGBDRO Cc1c(CC(=O)Nc2cccc(C[NH+](C)C)c2)cccc1[N+](=O)[O-] ZINC000161350094 455562324 /nfs/dbraw/zinc/56/23/24/455562324.db2.gz WYMJGPUCYVZBPU-UHFFFAOYSA-N 1 0 327.384 3.146 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@H]2CCN(c3cc[nH+]c4ccccc43)C2)nc1 ZINC000192154843 455566067 /nfs/dbraw/zinc/56/60/67/455566067.db2.gz QWBXDKAZLPIQLH-ZDUSSCGKSA-N 1 0 335.367 3.229 20 5 EGBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@H]2c2ccsc2)c1 ZINC000247342157 455590196 /nfs/dbraw/zinc/59/01/96/455590196.db2.gz SOVFZLGQYQHBOP-WBVHZDCISA-N 1 0 348.424 3.233 20 5 EGBDRO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@H](C)[C@H]2CC)c([N+](=O)[O-])c1 ZINC000185665051 455591921 /nfs/dbraw/zinc/59/19/21/455591921.db2.gz LABIDTPYSGMKGV-SWLSCSKDSA-N 1 0 335.404 3.052 20 5 EGBDRO CC(C)([NH2+]C[C@H](O)c1ccc(F)cc1F)c1ccccc1[N+](=O)[O-] ZINC000292249733 455608485 /nfs/dbraw/zinc/60/84/85/455608485.db2.gz XQIMFTPODBSWEX-INIZCTEOSA-N 1 0 336.338 3.431 20 5 EGBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC(c3ccc(Cl)cc3)CC2)n1 ZINC000185790415 455622899 /nfs/dbraw/zinc/62/28/99/455622899.db2.gz AZXFRKFOJNSJLT-UHFFFAOYSA-N 1 0 334.807 3.324 20 5 EGBDRO CC(=O)c1cc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000292396834 455651836 /nfs/dbraw/zinc/65/18/36/455651836.db2.gz UOSNWPSSEZNZDM-ZDUSSCGKSA-N 1 0 331.416 3.108 20 5 EGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCC[C@H](C)CO ZINC000271520718 455670804 /nfs/dbraw/zinc/67/08/04/455670804.db2.gz OKQFRCLWKSTXFT-UONOGXRCSA-N 1 0 326.462 3.464 20 5 EGBDRO C[NH+](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000192807795 455696997 /nfs/dbraw/zinc/69/69/97/455696997.db2.gz BKDDVMGTOHYWCC-UHFFFAOYSA-N 1 0 345.424 3.037 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@@H]1[C@H]1COCC[C@@]1(C)O ZINC000284904703 455760410 /nfs/dbraw/zinc/76/04/10/455760410.db2.gz TZNBPPBUULQAKA-JEDBISTDSA-N 1 0 348.443 3.216 20 5 EGBDRO CCC1(C[NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000269008081 455761394 /nfs/dbraw/zinc/76/13/94/455761394.db2.gz WOLGCDQRYCHBBC-AWEZNQCLSA-N 1 0 349.431 3.108 20 5 EGBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1NC1CC[NH+](CC2CC2)CC1 ZINC000278195911 455783691 /nfs/dbraw/zinc/78/36/91/455783691.db2.gz DTVYFZVGDGWHJU-UHFFFAOYSA-N 1 0 344.337 3.295 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+][C@H](CCO)c1ccco1)C1CC1 ZINC000186550548 455791165 /nfs/dbraw/zinc/79/11/65/455791165.db2.gz FTDOFAPYFJGZDR-HZPDHXFCSA-N 1 0 330.384 3.222 20 5 EGBDRO CO[C@@H]1C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC[C@H]1C ZINC000251910631 455799458 /nfs/dbraw/zinc/79/94/58/455799458.db2.gz RRVZGZNJGMNWNU-CXAGYDPISA-N 1 0 345.399 3.149 20 5 EGBDRO Cc1noc(C2CC[NH+](C/C=C\c3ccccc3[N+](=O)[O-])CC2)n1 ZINC000255191477 455862914 /nfs/dbraw/zinc/86/29/14/455862914.db2.gz QFBWGOLJKQQYRL-XQRVVYSFSA-N 1 0 328.372 3.179 20 5 EGBDRO CC1(C)C[C@H](O)CC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000296169831 455871122 /nfs/dbraw/zinc/87/11/22/455871122.db2.gz TYXQCZRIXNFIJD-MRXNPFEDSA-N 1 0 345.399 3.233 20 5 EGBDRO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000272373046 455929367 /nfs/dbraw/zinc/92/93/67/455929367.db2.gz AZEKULIIDQWXPM-UKRRQHHQSA-N 1 0 349.431 3.330 20 5 EGBDRO [NH3+]C1(c2noc(-c3ccc(C(F)(F)F)cc3[N+](=O)[O-])n2)CCC1 ZINC000261793675 455948804 /nfs/dbraw/zinc/94/88/04/455948804.db2.gz OQEVMCJZOIIHLR-UHFFFAOYSA-N 1 0 328.250 3.002 20 5 EGBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000272435573 455950560 /nfs/dbraw/zinc/95/05/60/455950560.db2.gz IBKALZZXWJUMGO-CXAGYDPISA-N 1 0 345.443 3.059 20 5 EGBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H]2CC=C(c3ccc(F)cc3)CC2)c1 ZINC000272468271 455961464 /nfs/dbraw/zinc/96/14/64/455961464.db2.gz IBOJWYVIGHWHCR-INIZCTEOSA-N 1 0 330.363 3.156 20 5 EGBDRO CO[C@@]1(C)CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000280559376 455999943 /nfs/dbraw/zinc/99/99/43/455999943.db2.gz QZZVGRSIFDFCQL-KSSFIOAISA-N 1 0 349.431 3.121 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCCOCCOCc1ccccc1 ZINC000272587395 456004541 /nfs/dbraw/zinc/00/45/41/456004541.db2.gz QMIZABAGCWXMIT-UHFFFAOYSA-N 1 0 344.411 3.308 20 5 EGBDRO C[NH+](C)[C@@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000225452302 456084227 /nfs/dbraw/zinc/08/42/27/456084227.db2.gz PZRJBNPIGKRFAE-CMPLNLGQSA-N 1 0 329.347 3.481 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000332558745 456091092 /nfs/dbraw/zinc/09/10/92/456091092.db2.gz PNXCCPBNTKIJAN-UHFFFAOYSA-N 1 0 348.447 3.455 20 5 EGBDRO O=[N+]([O-])c1ccc2c(ccnc2N2CC[C@@H]([NH+]3CCCCC3)C2)c1 ZINC000297075778 456110816 /nfs/dbraw/zinc/11/08/16/456110816.db2.gz JQSWNOQYQQVQFL-MRXNPFEDSA-N 1 0 326.400 3.208 20 5 EGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCCn1cccn1 ZINC000271061810 456115648 /nfs/dbraw/zinc/11/56/48/456115648.db2.gz CCHLBSAYDLRQGO-AWEZNQCLSA-N 1 0 334.445 3.342 20 5 EGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCCn1ccnc1 ZINC000271115543 456130502 /nfs/dbraw/zinc/13/05/02/456130502.db2.gz IHGCDSVOOXVXPV-AWEZNQCLSA-N 1 0 334.445 3.342 20 5 EGBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000272986132 456135950 /nfs/dbraw/zinc/13/59/50/456135950.db2.gz ZTQZBLOVIHAGNH-LSDHHAIUSA-N 1 0 348.424 3.233 20 5 EGBDRO CC(C)C[C@H](CNc1ncc(Br)cc1[N+](=O)[O-])[NH+](C)C ZINC000301630819 456168713 /nfs/dbraw/zinc/16/87/13/456168713.db2.gz BIROJOYXAVAEDN-LLVKDONJSA-N 1 0 345.241 3.141 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](CO)Cc2ccc(F)cc2)c(Cl)c1 ZINC000273097844 456175578 /nfs/dbraw/zinc/17/55/78/456175578.db2.gz VAXDHTMZAVJUDY-AWEZNQCLSA-N 1 0 338.766 3.081 20 5 EGBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000301852336 456233156 /nfs/dbraw/zinc/23/31/56/456233156.db2.gz GNNPLJPCZBANIJ-GDBMZVCRSA-N 1 0 340.427 3.433 20 5 EGBDRO CC[C@@H]1CN(c2ccc([N+](=O)[O-])c(C)n2)CC[N@@H+]1Cc1ccccc1 ZINC000302171410 456306706 /nfs/dbraw/zinc/30/67/06/456306706.db2.gz UWODFFXYLAHNJI-QGZVFWFLSA-N 1 0 340.427 3.399 20 5 EGBDRO Cc1cc(N[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000302192073 456312198 /nfs/dbraw/zinc/31/21/98/456312198.db2.gz ZLTOPNMQJZXANL-HOCLYGCPSA-N 1 0 326.400 3.231 20 5 EGBDRO C[C@H](NC(=O)NCCC[N@@H+]1CCCC[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000297881497 456315796 /nfs/dbraw/zinc/31/57/96/456315796.db2.gz RARFLTZSBFRBOH-CABCVRRESA-N 1 0 348.447 3.220 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1NCC[N@@H+]1CCc3ccccc3C1)CCN2 ZINC000302412118 456341009 /nfs/dbraw/zinc/34/10/09/456341009.db2.gz HBEPQEHECPJZGB-UHFFFAOYSA-N 1 0 338.411 3.033 20 5 EGBDRO [NH3+]CC[C@@H]1CCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000281987496 456382439 /nfs/dbraw/zinc/38/24/39/456382439.db2.gz PHBNWHQGAOFSDF-NSHDSACASA-N 1 0 333.413 3.011 20 5 EGBDRO C[C@@H](CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)[N@@H+]1CCCC[C@@H]1C ZINC000343068190 456384595 /nfs/dbraw/zinc/38/45/95/456384595.db2.gz QUSGQHXIIDOIQX-STQMWFEESA-N 1 0 344.415 3.069 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000298237466 456401221 /nfs/dbraw/zinc/40/12/21/456401221.db2.gz ROTFEABSLMUESZ-UHFFFAOYSA-N 1 0 333.432 3.288 20 5 EGBDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1ccccc1[N+](=O)[O-] ZINC000298414910 456450692 /nfs/dbraw/zinc/45/06/92/456450692.db2.gz REDNCLJQZNHTGX-UHFFFAOYSA-N 1 0 341.411 3.365 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000276391849 456465664 /nfs/dbraw/zinc/46/56/64/456465664.db2.gz IPJKPXKQHDOSCS-LBPRGKRZSA-N 1 0 334.420 3.065 20 5 EGBDRO CCCN(CCC[NH+](C)C)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000276415768 456474697 /nfs/dbraw/zinc/47/46/97/456474697.db2.gz SFRHPWTXOBIGIK-UHFFFAOYSA-N 1 0 333.388 3.145 20 5 EGBDRO COc1cccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000298879499 456561260 /nfs/dbraw/zinc/56/12/60/456561260.db2.gz NMUYWURZMIWSSM-OLZOCXBDSA-N 1 0 343.383 3.281 20 5 EGBDRO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CC[C@@](CO)(c3ccccc3)C2)c1 ZINC000291376759 456624460 /nfs/dbraw/zinc/62/44/60/456624460.db2.gz ZUEHDZQVLZUYOM-GOSISDBHSA-N 1 0 346.814 3.384 20 5 EGBDRO C[C@H](CNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000291583977 456686582 /nfs/dbraw/zinc/68/65/82/456686582.db2.gz VEKVCCRKDIKFDG-MRVPVSSYSA-N 1 0 346.214 3.114 20 5 EGBDRO CCCn1ccnc1CCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000277133552 456693702 /nfs/dbraw/zinc/69/37/02/456693702.db2.gz IOIWAVIGWVNMPX-UHFFFAOYSA-N 1 0 334.395 3.405 20 5 EGBDRO CCS[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000348477875 456704576 /nfs/dbraw/zinc/70/45/76/456704576.db2.gz KQUYLBACNAPRMR-TZMCWYRMSA-N 1 0 337.445 3.106 20 5 EGBDRO Cc1nc2sccn2c1C[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000340860815 456724844 /nfs/dbraw/zinc/72/48/44/456724844.db2.gz QMOMCYJPLWZMTA-UHFFFAOYSA-N 1 0 346.412 3.123 20 5 EGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@](CO)(c2ccccc2)C1 ZINC000291708367 456728375 /nfs/dbraw/zinc/72/83/75/456728375.db2.gz IJKDTRMRNNIWDR-BEFAXECRSA-N 1 0 326.396 3.292 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](C)c1ccncc1F ZINC000338338679 456775500 /nfs/dbraw/zinc/77/55/00/456775500.db2.gz DHTHMYBTKIVTOZ-GFCCVEGCSA-N 1 0 346.362 3.117 20 5 EGBDRO Cc1c(C[N@@H+]2CC[C@](CO)(c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000291900751 456793195 /nfs/dbraw/zinc/79/31/95/456793195.db2.gz RDRXUQXLSXZBOC-IBGZPJMESA-N 1 0 326.396 3.039 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C3CCC(CO)CC3)cs2)c1 ZINC000344944658 456872653 /nfs/dbraw/zinc/87/26/53/456872653.db2.gz CQLDGIZJAHHPMB-UHFFFAOYSA-N 1 0 347.440 3.359 20 5 EGBDRO CN(CC[NH+]1CCCC1)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000338992658 456890752 /nfs/dbraw/zinc/89/07/52/456890752.db2.gz AIYPHBMCYQPXRB-UHFFFAOYSA-N 1 0 331.338 3.141 20 5 EGBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNc2nc3sccn3c2[N+](=O)[O-])C1 ZINC000339030590 456907003 /nfs/dbraw/zinc/90/70/03/456907003.db2.gz ZMUVOVKKSGEGGX-TXEJJXNPSA-N 1 0 337.449 3.084 20 5 EGBDRO C[NH+](C)CCN(Cc1cccs1)Cc1ccc([N+](=O)[O-])cc1F ZINC000349302438 456937241 /nfs/dbraw/zinc/93/72/41/456937241.db2.gz WTWMOISUZHZESE-UHFFFAOYSA-N 1 0 337.420 3.359 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000353894297 456955345 /nfs/dbraw/zinc/95/53/45/456955345.db2.gz BNJBDMOVOOLHGO-ZDUSSCGKSA-N 1 0 334.420 3.011 20 5 EGBDRO C[C@H]1CCCC[N@@H+]1CCC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000345813216 456998095 /nfs/dbraw/zinc/99/80/95/456998095.db2.gz UZQCURRLLCEPSC-AWEZNQCLSA-N 1 0 333.432 3.211 20 5 EGBDRO CC(C)[NH+]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000349819796 457064975 /nfs/dbraw/zinc/06/49/75/457064975.db2.gz QPCKBKWEJMAZHO-UHFFFAOYSA-N 1 0 329.400 3.381 20 5 EGBDRO C[C@@H]1C[C@H](c2cccnc2)[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000359870413 457136552 /nfs/dbraw/zinc/13/65/52/457136552.db2.gz IVQVHENQYUGEDK-RHSMWYFYSA-N 1 0 327.384 3.452 20 5 EGBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C[N@H+](C)C(C)C ZINC000356762252 457155372 /nfs/dbraw/zinc/15/53/72/457155372.db2.gz FMRWGAFFSQVQRI-LBPRGKRZSA-N 1 0 339.461 3.165 20 5 EGBDRO COc1ccc(C[NH2+]C2(c3ccc4c(c3)OCO4)CC2)cc1[N+](=O)[O-] ZINC000342218326 457174860 /nfs/dbraw/zinc/17/48/60/457174860.db2.gz HHSOMBVVIWYLNI-UHFFFAOYSA-N 1 0 342.351 3.111 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@](C)(CO)c1ccccc1 ZINC000342225250 457178889 /nfs/dbraw/zinc/17/88/89/457178889.db2.gz NHDILYQWIZDAPI-IBGZPJMESA-N 1 0 344.411 3.033 20 5 EGBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C1CCC(C(F)(F)F)CC1 ZINC000354409881 457204059 /nfs/dbraw/zinc/20/40/59/457204059.db2.gz LVKSVKWGFJWTHB-UNXYVOJBSA-N 1 0 334.342 3.138 20 5 EGBDRO CCCN(CC[NH+]1CCCC1)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000342293159 457217639 /nfs/dbraw/zinc/21/76/39/457217639.db2.gz SYACRBRZKZUXJE-UHFFFAOYSA-N 1 0 339.823 3.196 20 5 EGBDRO O=[N+]([O-])c1cc2c(ncnc2N[C@H]2CC[N@H+](CC3CCCC3)C2)s1 ZINC000342299708 457222639 /nfs/dbraw/zinc/22/26/39/457222639.db2.gz XRMWEKBUATUDRZ-LBPRGKRZSA-N 1 0 347.444 3.276 20 5 EGBDRO COc1cc(C[NH2+]Cc2cccc3cc[nH]c32)c([N+](=O)[O-])cc1OC ZINC000342319513 457235432 /nfs/dbraw/zinc/23/54/32/457235432.db2.gz WMYJGTNADMZSFN-UHFFFAOYSA-N 1 0 341.367 3.383 20 5 EGBDRO COCCC[N@H+](C)CCNc1cc(C)c([N+](=O)[O-])cc1C(F)(F)F ZINC000360084694 457246742 /nfs/dbraw/zinc/24/67/42/457246742.db2.gz UPZZGZAJMVZVGY-UHFFFAOYSA-N 1 0 349.353 3.302 20 5 EGBDRO CC[C@@H](CC(F)(F)F)[NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000354541636 457279147 /nfs/dbraw/zinc/27/91/47/457279147.db2.gz JTGUGCOSYNXCTQ-GXFFZTMASA-N 1 0 345.321 3.021 20 5 EGBDRO COc1cc(C)ccc1C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000351525414 457301828 /nfs/dbraw/zinc/30/18/28/457301828.db2.gz RUGNHKYKLMNWFO-HZPDHXFCSA-N 1 0 344.415 3.382 20 5 EGBDRO COc1ccc(NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000360748162 457335801 /nfs/dbraw/zinc/33/58/01/457335801.db2.gz RKNPAAKOPUZHGZ-MRXNPFEDSA-N 1 0 335.404 3.052 20 5 EGBDRO O=[N+]([O-])c1cccc2ncnc(N[C@H]3CC[N@H+](CC4CCCC4)C3)c21 ZINC000347417626 457415193 /nfs/dbraw/zinc/41/51/93/457415193.db2.gz UKMSEGJBQVZNPV-AWEZNQCLSA-N 1 0 341.415 3.214 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC[C@H]([NH+]2CCCC2)C1 ZINC000355759944 457416049 /nfs/dbraw/zinc/41/60/49/457416049.db2.gz YOCULUYSNJLCSE-SFHVURJKSA-N 1 0 347.459 3.442 20 5 EGBDRO Cn1ncc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])c1C(F)(F)F ZINC000352549785 457459135 /nfs/dbraw/zinc/45/91/35/457459135.db2.gz HHGZTMSLMVMIEQ-UHFFFAOYSA-N 1 0 342.321 3.022 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@@H]3CCc4c[nH]nc4C3)o2)c1 ZINC000363939386 457466149 /nfs/dbraw/zinc/46/61/49/457466149.db2.gz SXBQLYRRVXWWRK-CQSZACIVSA-N 1 0 338.367 3.225 20 5 EGBDRO C[N@@H+]1CCCC[C@@H]1CCC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000356156718 457493623 /nfs/dbraw/zinc/49/36/23/457493623.db2.gz UPWKOJKOFCCBDF-CYBMUJFWSA-N 1 0 339.823 3.129 20 5 EGBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000361012673 457511810 /nfs/dbraw/zinc/51/18/10/457511810.db2.gz GWSAJEODXMYOQM-XJKSGUPXSA-N 1 0 343.431 3.052 20 5 EGBDRO C[C@H](C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)[NH+]1[C@H](C)CC[C@H]1C ZINC000352707421 457547128 /nfs/dbraw/zinc/54/71/28/457547128.db2.gz AXUKTXVABLAIMY-BZUAXINKSA-N 1 0 347.459 3.295 20 5 EGBDRO C[C@H]1[C@H](C)[N@H+](C)CCN1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000361157109 457620272 /nfs/dbraw/zinc/62/02/72/457620272.db2.gz UVMGYPYODZNHNK-KBPBESRZSA-N 1 0 329.400 3.379 20 5 EGBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)[C@@H]1OC ZINC000361164091 457623986 /nfs/dbraw/zinc/62/39/86/457623986.db2.gz DCXQEVXHESCZJD-OLMNPRSZSA-N 1 0 346.383 3.137 20 5 EGBDRO COc1cc(NC[C@@H]2CCCn3cc(C)nc32)c([N+](=O)[O-])cc1F ZINC000361188327 457636950 /nfs/dbraw/zinc/63/69/50/457636950.db2.gz NBGUZJAEAAZGKA-NSHDSACASA-N 1 0 334.351 3.237 20 5 EGBDRO CC[C@@H]([NH2+][C@@H]1CCc2nc(C)ncc2C1)c1cccc([N+](=O)[O-])c1 ZINC000374559785 457660970 /nfs/dbraw/zinc/66/09/70/457660970.db2.gz BKRXAQSQDYFJDA-NVXWUHKLSA-N 1 0 326.400 3.291 20 5 EGBDRO Cc1c([C@H](C)[NH2+][C@@H]2CC(=O)N(c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000357798067 457693783 /nfs/dbraw/zinc/69/37/83/457693783.db2.gz SIZXCICHFLJMAC-LSDHHAIUSA-N 1 0 339.395 3.359 20 5 EGBDRO Cc1cc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c2cccc([N+](=O)[O-])c2n1 ZINC000364862795 457708455 /nfs/dbraw/zinc/70/84/55/457708455.db2.gz IJCFSOHRSMPNGE-UONOGXRCSA-N 1 0 326.400 3.490 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](Cc2ccccn2)c2cccnc2)cc1 ZINC000358015869 457740338 /nfs/dbraw/zinc/74/03/38/457740338.db2.gz FYVYRMPOGSWIBI-IBGZPJMESA-N 1 0 334.379 3.458 20 5 EGBDRO C[C@@H]([NH2+][C@@H]1CC(=O)N(C)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000358083295 457773959 /nfs/dbraw/zinc/77/39/59/457773959.db2.gz KRIBHSQPOUQJLE-VXGBXAGGSA-N 1 0 345.424 3.205 20 5 EGBDRO C[C@@H]([NH2+]CCCN(C(=O)C1CCC1)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000358087046 457777585 /nfs/dbraw/zinc/77/75/85/457777585.db2.gz XHJMBIQKFAOLCQ-CQSZACIVSA-N 1 0 345.443 3.427 20 5 EGBDRO CC1(C)C[C@H]([NH2+][C@@H](CCO)C2CCOCC2)c2cc([N+](=O)[O-])ccc21 ZINC000433231686 457785431 /nfs/dbraw/zinc/78/54/31/457785431.db2.gz JTEABTVBIVNLPN-ROUUACIJSA-N 1 0 348.443 3.084 20 5 EGBDRO CC1(C)C[C@@H]([NH2+][C@@H](CO)CC(F)(F)F)c2cc([N+](=O)[O-])ccc21 ZINC000433301522 457803595 /nfs/dbraw/zinc/80/35/95/457803595.db2.gz GLWGCTQCWPIWEG-NOZJJQNGSA-N 1 0 332.322 3.220 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(N(C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)c1 ZINC000433780004 457885332 /nfs/dbraw/zinc/88/53/32/457885332.db2.gz QTNUGLCAKPQQHJ-LPHOPBHVSA-N 1 0 340.427 3.427 20 5 EGBDRO Cc1c([C@@H](C)[NH2+][C@H]2CCOC3(CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000358312790 457926805 /nfs/dbraw/zinc/92/68/05/457926805.db2.gz CJQOOUVRPILZRE-CABCVRRESA-N 1 0 334.416 3.282 20 5 EGBDRO CC[N@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@@H]1CCCC[C@@H]1C ZINC000444679077 457938119 /nfs/dbraw/zinc/93/81/19/457938119.db2.gz TUTPAHLVWDIUOM-XJKSGUPXSA-N 1 0 349.431 3.443 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1Cc2ccccc2[C@@H]1OC ZINC000411889511 458002999 /nfs/dbraw/zinc/00/29/99/458002999.db2.gz CJSCFFYFKOQAMG-AEFFLSMTSA-N 1 0 328.368 3.005 20 5 EGBDRO COc1cc(C[NH2+][C@H]2CCCC[C@H]2n2cccn2)ccc1[N+](=O)[O-] ZINC000362022186 458009833 /nfs/dbraw/zinc/00/98/33/458009833.db2.gz FNGRWMVYXJNNHX-LSDHHAIUSA-N 1 0 330.388 3.073 20 5 EGBDRO CO[C@@](C)([C@H](C)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C1CC1 ZINC000411977014 458028584 /nfs/dbraw/zinc/02/85/84/458028584.db2.gz XMECQBFWZMZPQW-UGSOOPFHSA-N 1 0 349.431 3.025 20 5 EGBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCSC(C)(C)CC1 ZINC000434698234 458037891 /nfs/dbraw/zinc/03/78/91/458037891.db2.gz UOTXUMMVIWZJAX-LBPRGKRZSA-N 1 0 337.445 3.139 20 5 EGBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412110903 458095027 /nfs/dbraw/zinc/09/50/27/458095027.db2.gz FANPBOCAILYZJB-BPQIPLTHSA-N 1 0 345.443 3.079 20 5 EGBDRO CC(C)[NH+](CCCNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000412163224 458113640 /nfs/dbraw/zinc/11/36/40/458113640.db2.gz RXNGWSSREZXRIZ-ZWKOTPCHSA-N 1 0 347.459 3.323 20 5 EGBDRO CC1(C)CCCC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000446072930 458140185 /nfs/dbraw/zinc/14/01/85/458140185.db2.gz WHEJXYNUPYYDIM-UHFFFAOYSA-N 1 0 347.415 3.405 20 5 EGBDRO CN(CCC[NH+]1CCCC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000358670268 458141120 /nfs/dbraw/zinc/14/11/20/458141120.db2.gz WDEPWMLMQCNLAL-UHFFFAOYSA-N 1 0 342.237 3.279 20 5 EGBDRO Cc1ccc(C[NH2+]C[C@@]2(CO)C[C@@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000428555935 458169798 /nfs/dbraw/zinc/16/97/98/458169798.db2.gz ALSCTYZZIOVBJS-IEBWSBKVSA-N 1 0 344.386 3.298 20 5 EGBDRO O=C(NCCCCC[NH+]1CCCC1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412371582 458184141 /nfs/dbraw/zinc/18/41/41/458184141.db2.gz ZRFFQSHFBZJDRY-ZWKOTPCHSA-N 1 0 345.443 3.081 20 5 EGBDRO COc1ccc(-c2ccc(C[NH2+][C@H](CO)C(C)(C)C)o2)c([N+](=O)[O-])c1 ZINC000446755772 458225562 /nfs/dbraw/zinc/22/55/62/458225562.db2.gz YXIRIRSFSUHDCZ-QGZVFWFLSA-N 1 0 348.399 3.360 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1NC[C@@H](O)C[NH+]1CCCCC1 ZINC000429212043 458291540 /nfs/dbraw/zinc/29/15/40/458291540.db2.gz NBBCKFRZEBFNSU-LLVKDONJSA-N 1 0 348.230 3.160 20 5 EGBDRO CCC[C@@]1(COC)CCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000447396882 458292410 /nfs/dbraw/zinc/29/24/10/458292410.db2.gz XLADHRXOTADEGH-KRWDZBQOSA-N 1 0 332.404 3.252 20 5 EGBDRO CCOc1ccc(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000447545449 458309101 /nfs/dbraw/zinc/30/91/01/458309101.db2.gz YKEQBWYQAPXBHM-IRXDYDNUSA-N 1 0 344.415 3.464 20 5 EGBDRO COCc1ccccc1C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447544583 458309355 /nfs/dbraw/zinc/30/93/55/458309355.db2.gz UVXGYWMKDHMADZ-IAGOWNOFSA-N 1 0 344.415 3.211 20 5 EGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](CO)CC(F)F ZINC000429461695 458334467 /nfs/dbraw/zinc/33/44/67/458334467.db2.gz LWDFJVMLOUSEOK-QWRGUYRKSA-N 1 0 334.388 3.071 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](CCO)[C@H]1CC[C@@H](C)C1 ZINC000429758765 458367447 /nfs/dbraw/zinc/36/74/47/458367447.db2.gz JOBLUSQIMIDAHC-ZBFHGGJFSA-N 1 0 336.432 3.365 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000448078282 458387054 /nfs/dbraw/zinc/38/70/54/458387054.db2.gz RIDFXSWRTCMLBN-HNNXBMFYSA-N 1 0 334.420 3.145 20 5 EGBDRO CC[C@@H](N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000423502879 458444850 /nfs/dbraw/zinc/44/48/50/458444850.db2.gz FJMVDCYDOLKRKY-IPMKNSEASA-N 1 0 325.412 3.391 20 5 EGBDRO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000430816472 458494454 /nfs/dbraw/zinc/49/44/54/458494454.db2.gz MQXLYPBTPAOVQX-WMZOPIPTSA-N 1 0 347.459 3.154 20 5 EGBDRO CCc1ncsc1NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000437817385 458497248 /nfs/dbraw/zinc/49/72/48/458497248.db2.gz SYSFNADXGOIBBM-UHFFFAOYSA-N 1 0 343.368 3.052 20 5 EGBDRO O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)c1csc([N+](=O)[O-])c1 ZINC000437839096 458500358 /nfs/dbraw/zinc/50/03/58/458500358.db2.gz UTDKBIOJKVWBLA-AWEZNQCLSA-N 1 0 337.445 3.183 20 5 EGBDRO O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)C12CCC[NH+]1CCC2 ZINC000377650131 458509130 /nfs/dbraw/zinc/50/91/30/458509130.db2.gz AHRRLEIDPYOZSL-UHFFFAOYSA-N 1 0 343.305 3.181 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H](CO)Cc1cccc(C)c1 ZINC000468611090 458528210 /nfs/dbraw/zinc/52/82/10/458528210.db2.gz UTDOTUFULDAXEI-NXIIHZOPSA-N 1 0 340.423 3.500 20 5 EGBDRO O=C(c1cc2ccccc2c2cccnc12)N1CCC2(CC[NH2+]2)CC1 ZINC000424051038 458545932 /nfs/dbraw/zinc/54/59/32/458545932.db2.gz HKCUDPWOXLBOKU-UHFFFAOYSA-N 1 0 331.419 3.356 20 5 EGBDRO COc1ccc(C[C@](C)([NH3+])CNc2cc(C)c([N+](=O)[O-])cc2F)cc1 ZINC000461963558 458584309 /nfs/dbraw/zinc/58/43/09/458584309.db2.gz YZQRNMMVURMAQJ-SFHVURJKSA-N 1 0 347.390 3.423 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000373770645 458598469 /nfs/dbraw/zinc/59/84/69/458598469.db2.gz KLBLJTYWOQRGSQ-IBGZPJMESA-N 1 0 340.379 3.235 20 5 EGBDRO CCC(CC)[C@@H](CNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[NH+](C)C ZINC000470152569 458617080 /nfs/dbraw/zinc/61/70/80/458617080.db2.gz SDBYOYSURQGPIG-OAHLLOKOSA-N 1 0 340.399 3.222 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000470178871 458621233 /nfs/dbraw/zinc/62/12/33/458621233.db2.gz PBRWEVTZYYSFOF-RKXUAZDKSA-N 1 0 334.441 3.204 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000463965172 458727551 /nfs/dbraw/zinc/72/75/51/458727551.db2.gz PYFKMCPAAHFGOA-ZDUSSCGKSA-N 1 0 348.447 3.455 20 5 EGBDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000439700047 458742145 /nfs/dbraw/zinc/74/21/45/458742145.db2.gz FRLBLPSSCSWHEN-GOSISDBHSA-N 1 0 347.459 3.154 20 5 EGBDRO Cc1c(C[NH2+][C@H](C)c2ccc(C(=O)N(C)C)cc2)cccc1[N+](=O)[O-] ZINC000494973782 458777014 /nfs/dbraw/zinc/77/70/14/458777014.db2.gz IIQZHCYORIGLBT-CQSZACIVSA-N 1 0 341.411 3.456 20 5 EGBDRO O=[N+]([O-])c1ccn(CC[N@H+](CCc2ccc(F)cc2)C2CCCC2)n1 ZINC000464894486 458789684 /nfs/dbraw/zinc/78/96/84/458789684.db2.gz LHOOHCAFIHIGEC-UHFFFAOYSA-N 1 0 346.406 3.418 20 5 EGBDRO O=[N+]([O-])c1ccc(CN2CCN(c3cncc4ccccc43)CC2)cc1 ZINC000472748926 458807471 /nfs/dbraw/zinc/80/74/71/458807471.db2.gz IWEJTNHLFPXDPR-UHFFFAOYSA-N 1 0 348.406 3.465 20 5 EGBDRO C[N@@H+]1CC[C@@H]2CCN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)[C@H]2C1 ZINC000495203028 458811629 /nfs/dbraw/zinc/81/16/29/458811629.db2.gz UOTNQQOPKSAIEV-KDOFPFPSSA-N 1 0 341.411 3.381 20 5 EGBDRO CC1(C)CC(Nc2nc3ccccc3cc2[N+](=O)[O-])CC(C)(C)[NH2+]1 ZINC000473535147 458833129 /nfs/dbraw/zinc/83/31/29/458833129.db2.gz RDENVRNQNOHAGY-UHFFFAOYSA-N 1 0 328.416 3.286 20 5 EGBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000466818062 458925570 /nfs/dbraw/zinc/92/55/70/458925570.db2.gz XQWPVPGGYWBXCX-NOZJJQNGSA-N 1 0 340.221 3.252 20 5 EGBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000467052620 458948908 /nfs/dbraw/zinc/94/89/08/458948908.db2.gz ATKFXWNXJOTTFM-WBMJQRKESA-N 1 0 345.443 3.105 20 5 EGBDRO CC(C)C[C@@H]1CC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000467173852 458955617 /nfs/dbraw/zinc/95/56/17/458955617.db2.gz SAKGNUDYTZANPC-WMLDXEAASA-N 1 0 331.416 3.068 20 5 EGBDRO C[C@H](C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000566656151 458976583 /nfs/dbraw/zinc/97/65/83/458976583.db2.gz XSPFMUGQGSXKSL-CVEARBPZSA-N 1 0 347.459 3.327 20 5 EGBDRO CO[C@]1(C)C[C@@H]([NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000531984240 459013027 /nfs/dbraw/zinc/01/30/27/459013027.db2.gz QSNGJAZORXWRKD-WBHUJUFNSA-N 1 0 349.431 3.105 20 5 EGBDRO COc1cccc2c1OC[C@H]([NH2+][C@H]1CCc3c1cccc3[N+](=O)[O-])C2 ZINC000594495110 459061072 /nfs/dbraw/zinc/06/10/72/459061072.db2.gz OWMTZVGCBNXXNQ-CJNGLKHVSA-N 1 0 340.379 3.184 20 5 EGBDRO COc1cccc2c1OC[C@H]([NH2+][C@@H]1CCc3c1cccc3[N+](=O)[O-])C2 ZINC000594495111 459061134 /nfs/dbraw/zinc/06/11/34/459061134.db2.gz OWMTZVGCBNXXNQ-CZUORRHYSA-N 1 0 340.379 3.184 20 5 EGBDRO Cc1cccc(C[C@H](CO)[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000594499793 459062912 /nfs/dbraw/zinc/06/29/12/459062912.db2.gz KAELVGCHRWJDSI-CRAIPNDOSA-N 1 0 326.396 3.084 20 5 EGBDRO CC(=O)N1CC([NH2+][C@@H](C)c2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000594507755 459067867 /nfs/dbraw/zinc/06/78/67/459067867.db2.gz QVDYAKBVLZGDCG-NSHDSACASA-N 1 0 345.424 3.205 20 5 EGBDRO Cc1ccc([C@@H]2CCC[C@@H]2[N@H+](C)CCn2ccc([N+](=O)[O-])n2)cc1 ZINC000478035047 459073860 /nfs/dbraw/zinc/07/38/60/459073860.db2.gz LUMJOCLFQDXXLR-IRXDYDNUSA-N 1 0 328.416 3.368 20 5 EGBDRO Cc1cc(N2CC[C@H](C[NH+]3CCCC3)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000590135996 459090945 /nfs/dbraw/zinc/09/09/45/459090945.db2.gz RLQYBQXHRSEAQQ-OAHLLOKOSA-N 1 0 340.427 3.374 20 5 EGBDRO CC(C)(C)C[N@H+](CCO)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000590160189 459095744 /nfs/dbraw/zinc/09/57/44/459095744.db2.gz PTHCXQPLILBTOG-UHFFFAOYSA-N 1 0 334.338 3.454 20 5 EGBDRO CSc1ccc(C(=O)N2CC[NH2+]C3(CCCCC3)C2)cc1[N+](=O)[O-] ZINC000594628700 459118463 /nfs/dbraw/zinc/11/84/63/459118463.db2.gz BOJLRDXJOVJXIT-UHFFFAOYSA-N 1 0 349.456 3.065 20 5 EGBDRO C[C@H](C[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1)C(C)(C)C ZINC000590380603 459122633 /nfs/dbraw/zinc/12/26/33/459122633.db2.gz QJIZBVJILQYMGS-CQSZACIVSA-N 1 0 333.432 3.035 20 5 EGBDRO C[C@@H]([NH2+][C@@H](C)CC(N)=O)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000479528075 459146342 /nfs/dbraw/zinc/14/63/42/459146342.db2.gz MUJDOKUVNGNXKQ-WDEREUQCSA-N 1 0 333.413 3.238 20 5 EGBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000590568377 459151749 /nfs/dbraw/zinc/15/17/49/459151749.db2.gz DBZVYUOUFCYZOF-ZFWWWQNUSA-N 1 0 326.400 3.186 20 5 EGBDRO CCCN(CC[NH+]1CCCCCC1)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000521505936 459158321 /nfs/dbraw/zinc/15/83/21/459158321.db2.gz ALRYMWXJZMPIJP-UHFFFAOYSA-N 1 0 339.461 3.385 20 5 EGBDRO CC[C@H](C)[C@H](C)[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CC1 ZINC000532963207 459165790 /nfs/dbraw/zinc/16/57/90/459165790.db2.gz VTSLOFAXYNMRGL-KBPBESRZSA-N 1 0 345.443 3.383 20 5 EGBDRO CC(C)C[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000521821581 459179424 /nfs/dbraw/zinc/17/94/24/459179424.db2.gz KTERUHYOVPUZIG-QGZVFWFLSA-N 1 0 336.432 3.235 20 5 EGBDRO Cc1nc(NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000480496263 459200427 /nfs/dbraw/zinc/20/04/27/459200427.db2.gz CQAIZWHXGYVHNE-SFHVURJKSA-N 1 0 340.427 3.043 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000480576382 459206106 /nfs/dbraw/zinc/20/61/06/459206106.db2.gz GKTVZOLXYHPUAA-HDICACEKSA-N 1 0 337.423 3.471 20 5 EGBDRO CCC[N@@H+]1CC[C@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000594992423 459208669 /nfs/dbraw/zinc/20/86/69/459208669.db2.gz REPONMJCWLWNRJ-AWEZNQCLSA-N 1 0 346.456 3.292 20 5 EGBDRO O=C(c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)N1CCC2(CCC2)CC1 ZINC000590759543 459208655 /nfs/dbraw/zinc/20/86/55/459208655.db2.gz QOFOAMWQHCJXBH-UHFFFAOYSA-N 1 0 340.383 3.187 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCc1cn2c(n1)CCCC2 ZINC000595008281 459213853 /nfs/dbraw/zinc/21/38/53/459213853.db2.gz UGXIRBFAWXNGAF-ZDUSSCGKSA-N 1 0 344.415 3.030 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H](CO)c1ccccc1 ZINC000595012680 459215088 /nfs/dbraw/zinc/21/50/88/459215088.db2.gz NNZLCAUBEZUFPO-HIFRSBDPSA-N 1 0 330.384 3.030 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCn1cnc2ccccc21 ZINC000595010771 459215469 /nfs/dbraw/zinc/21/54/69/459215469.db2.gz YRAZWBJVQOCWMB-ZDUSSCGKSA-N 1 0 340.383 3.304 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000595016901 459216995 /nfs/dbraw/zinc/21/69/95/459216995.db2.gz ATDLSNUAIOORAU-WPUCRFQZSA-N 1 0 334.416 3.458 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000595025966 459220816 /nfs/dbraw/zinc/22/08/16/459220816.db2.gz LQYZGAFHAYEDKN-HYEYJGRESA-N 1 0 332.400 3.212 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C1(c2ccccc2)CCOCC1 ZINC000533381555 459228387 /nfs/dbraw/zinc/22/83/87/459228387.db2.gz YGJOWPXQDYPVJL-UHFFFAOYSA-N 1 0 342.395 3.399 20 5 EGBDRO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000481094519 459233488 /nfs/dbraw/zinc/23/34/88/459233488.db2.gz QHHVIPWETMBSBG-UNEWFSDZSA-N 1 0 336.432 3.139 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCCN(c3ccccc3)CC2)cc1 ZINC000522268098 459233569 /nfs/dbraw/zinc/23/35/69/459233569.db2.gz JHDRAUANVJUTKM-UHFFFAOYSA-N 1 0 325.412 3.350 20 5 EGBDRO CCOc1ccc(NC(=O)C[NH2+][C@H]2CCCCC2(C)C)c([N+](=O)[O-])c1 ZINC000481188920 459238667 /nfs/dbraw/zinc/23/86/67/459238667.db2.gz LKUKFVKGKQSSHU-INIZCTEOSA-N 1 0 349.431 3.490 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC(C)(C)[C@]1(O)CCCOC1 ZINC000595106600 459246526 /nfs/dbraw/zinc/24/65/26/459246526.db2.gz VRIJRZKDBMNUAE-KDOFPFPSSA-N 1 0 336.432 3.122 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCOC[C@H]1CCOC1)CCCC2 ZINC000591347960 459358691 /nfs/dbraw/zinc/35/86/91/459358691.db2.gz LKIZVNBZZROPKA-KBXCAEBGSA-N 1 0 334.416 3.005 20 5 EGBDRO C[C@@H](C(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000582583037 459388407 /nfs/dbraw/zinc/38/84/07/459388407.db2.gz OSONGTRYPYWXRX-RDTXWAMCSA-N 1 0 341.411 3.117 20 5 EGBDRO COc1cc(C[NH2+]C2CC=CC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000591501585 459393164 /nfs/dbraw/zinc/39/31/64/459393164.db2.gz YUTWFWKTPFWHLY-UHFFFAOYSA-N 1 0 346.305 3.353 20 5 EGBDRO COc1ccc(OCC[N@@H+]2CCc3cc(C)ccc3C2)c([N+](=O)[O-])c1 ZINC000484022299 459403363 /nfs/dbraw/zinc/40/33/63/459403363.db2.gz WQLPNJXTZTVJRS-UHFFFAOYSA-N 1 0 342.395 3.349 20 5 EGBDRO CCOc1ccc([C@@H](C)N[C@H]2CC[NH2+]C3(CCC3)C2)cc1[N+](=O)[O-] ZINC000591582291 459406851 /nfs/dbraw/zinc/40/68/51/459406851.db2.gz FISUIONZBXVKDK-HIFRSBDPSA-N 1 0 333.432 3.319 20 5 EGBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@H]([C@H]3CCCCO3)C2)c1 ZINC000595787690 459441233 /nfs/dbraw/zinc/44/12/33/459441233.db2.gz GIWOLXGFTVMZRS-MAUKXSAKSA-N 1 0 334.416 3.255 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000595792327 459444273 /nfs/dbraw/zinc/44/42/73/459444273.db2.gz ZNKFZYKCJNCVJK-RDTXWAMCSA-N 1 0 334.416 3.385 20 5 EGBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000569778406 459506883 /nfs/dbraw/zinc/50/68/83/459506883.db2.gz UMXQWUSVQVGXPR-FMKPAKJESA-N 1 0 333.432 3.030 20 5 EGBDRO Cc1ccccc1C[NH+]1CCC(Nc2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596082364 459513830 /nfs/dbraw/zinc/51/38/30/459513830.db2.gz IVCYGFXUVQNQFK-UHFFFAOYSA-N 1 0 342.399 3.080 20 5 EGBDRO C[NH2+]C[C@H](C)NCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000596104570 459522242 /nfs/dbraw/zinc/52/22/42/459522242.db2.gz GHHDSNNIPJKVRC-AWEZNQCLSA-N 1 0 328.416 3.060 20 5 EGBDRO C[NH2+]C[C@H](C)NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000596108764 459524703 /nfs/dbraw/zinc/52/47/03/459524703.db2.gz XXTPQYKVKXFZIK-LBPRGKRZSA-N 1 0 333.363 3.224 20 5 EGBDRO O=c1[nH]ccc(Nc2ccc(CC[NH+]3CCCC3)cc2)c1[N+](=O)[O-] ZINC000596121889 459529323 /nfs/dbraw/zinc/52/93/23/459529323.db2.gz MOMMFKHKGMGHBJ-UHFFFAOYSA-N 1 0 328.372 3.077 20 5 EGBDRO COc1cc(C[N@@H+]2CCC[C@H]2[C@H]2CCCOC2)c([N+](=O)[O-])cc1F ZINC000592134923 459532930 /nfs/dbraw/zinc/53/29/30/459532930.db2.gz UBUGFMVRBNHUKA-WFASDCNBSA-N 1 0 338.379 3.134 20 5 EGBDRO C[C@H](C(=O)NC1CC[NH+](C2CCCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000562300596 459533553 /nfs/dbraw/zinc/53/35/53/459533553.db2.gz SEXGNGZHUUFJCG-AWEZNQCLSA-N 1 0 345.443 3.222 20 5 EGBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596155199 459540790 /nfs/dbraw/zinc/54/07/90/459540790.db2.gz PXPKHYATSCXBBB-HIFRSBDPSA-N 1 0 342.399 3.018 20 5 EGBDRO Cc1cc(N2CCC3(CCC([NH+](C)C)CC3)CC2)ncc1[N+](=O)[O-] ZINC000596255776 459575931 /nfs/dbraw/zinc/57/59/31/459575931.db2.gz UIFMFSODWVNNQA-UHFFFAOYSA-N 1 0 332.448 3.389 20 5 EGBDRO Cc1ccnc(N2CCC3(CCC([NH+](C)C)CC3)CC2)c1[N+](=O)[O-] ZINC000596254459 459575992 /nfs/dbraw/zinc/57/59/92/459575992.db2.gz DQIANZLCHCZAAR-UHFFFAOYSA-N 1 0 332.448 3.389 20 5 EGBDRO CC[NH+](CC)Cc1ccc(NC(=O)c2cc([N+](=O)[O-])cn2C)cc1 ZINC000527053808 459582744 /nfs/dbraw/zinc/58/27/44/459582744.db2.gz DCAMTHDBTKRZGS-UHFFFAOYSA-N 1 0 330.388 3.027 20 5 EGBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1[C@H](C)C[NH+](CC)C[C@H]1C ZINC000572917198 459594327 /nfs/dbraw/zinc/59/43/27/459594327.db2.gz BYAXZFNJNZFIRB-BFYDXBDKSA-N 1 0 347.459 3.105 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(CN3CC[C@H]4CC[NH2+][C@@H]4C3)o2)cc1 ZINC000592432364 459599537 /nfs/dbraw/zinc/59/95/37/459599537.db2.gz FXFRHMIEZWFZMW-CXAGYDPISA-N 1 0 327.384 3.039 20 5 EGBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+](CC1CCCCC1)C1CC1 ZINC000543138857 459627428 /nfs/dbraw/zinc/62/74/28/459627428.db2.gz LNLAWMFDEZJOFA-QGZVFWFLSA-N 1 0 348.443 3.379 20 5 EGBDRO C[N@H+](CCc1ccccc1)[C@@H]1CCN(c2ccsc2[N+](=O)[O-])C1 ZINC000596467807 459646720 /nfs/dbraw/zinc/64/67/20/459646720.db2.gz ULZOGLSANNFURR-OAHLLOKOSA-N 1 0 331.441 3.410 20 5 EGBDRO O=[N+]([O-])c1ccc2c(ccnc2NCC2CC[NH+](CC3CC3)CC2)c1 ZINC000596562738 459678194 /nfs/dbraw/zinc/67/81/94/459678194.db2.gz PNKONUOCZHJAGP-UHFFFAOYSA-N 1 0 340.427 3.099 20 5 EGBDRO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2CC(C)C)c([N+](=O)[O-])c1 ZINC000500454282 459679634 /nfs/dbraw/zinc/67/96/34/459679634.db2.gz DIYIZXVYYYIIDH-AWEZNQCLSA-N 1 0 349.431 3.443 20 5 EGBDRO Cc1cccc([C@@H](C)C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000562995412 459689638 /nfs/dbraw/zinc/68/96/38/459689638.db2.gz JUKOPZPBDNGNTM-RDJZCZTQSA-N 1 0 344.411 3.036 20 5 EGBDRO C[C@@H](CN(C)C)[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000584254747 459692660 /nfs/dbraw/zinc/69/26/60/459692660.db2.gz CSSRXBITHFBNOG-HNNXBMFYSA-N 1 0 342.443 3.402 20 5 EGBDRO C[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)CCc2ccc(Cl)cc21 ZINC000593065415 459762011 /nfs/dbraw/zinc/76/20/11/459762011.db2.gz ABZQOJSTCUVZED-LBPRGKRZSA-N 1 0 334.807 3.107 20 5 EGBDRO C[C@@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)CCc2ccc(Cl)cc21 ZINC000593067951 459763050 /nfs/dbraw/zinc/76/30/50/459763050.db2.gz XABCXFKBXSTVKW-GFCCVEGCSA-N 1 0 334.807 3.107 20 5 EGBDRO O=C(CC[NH+]1CCC2(CC2(F)F)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000593073054 459765183 /nfs/dbraw/zinc/76/51/83/459765183.db2.gz OLQSMDPOQPYMPO-UHFFFAOYSA-N 1 0 339.342 3.045 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCC([C@H](C)CO)CC1 ZINC000593085991 459768502 /nfs/dbraw/zinc/76/85/02/459768502.db2.gz ZUOMSBSQAOUHTN-CQSZACIVSA-N 1 0 336.432 3.222 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000596841005 459776277 /nfs/dbraw/zinc/77/62/77/459776277.db2.gz CKEDNRZGRHMNTG-AWEZNQCLSA-N 1 0 334.420 3.145 20 5 EGBDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000598261939 459841824 /nfs/dbraw/zinc/84/18/24/459841824.db2.gz JAZANKYMZUWJGV-LBPRGKRZSA-N 1 0 339.823 3.098 20 5 EGBDRO C[C@H](O)C[C@@H]1CCCCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000586779757 459870506 /nfs/dbraw/zinc/87/05/06/459870506.db2.gz YGCGHNSNSCCJRT-RDJZCZTQSA-N 1 0 336.432 3.379 20 5 EGBDRO C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C[C@@H]1COCCO1 ZINC000597206712 459876245 /nfs/dbraw/zinc/87/62/45/459876245.db2.gz RMLIOCREAWZWDU-OAHLLOKOSA-N 1 0 348.424 3.171 20 5 EGBDRO C[C@H]1C[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@]1(C)CO ZINC000597237414 459889110 /nfs/dbraw/zinc/88/91/10/459889110.db2.gz ZXUZQZMURUXKJE-UGSOOPFHSA-N 1 0 330.384 3.305 20 5 EGBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCCO[C@@H](c3ccccc3)C2)c1 ZINC000609234275 459929220 /nfs/dbraw/zinc/92/92/20/459929220.db2.gz OSEVQNWHQGBOCH-LJQANCHMSA-N 1 0 342.395 3.437 20 5 EGBDRO CO[C@H](C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)C1CCOCC1 ZINC000602441123 459939709 /nfs/dbraw/zinc/93/97/09/459939709.db2.gz UCIDPMNPGZROMU-GOSISDBHSA-N 1 0 334.416 3.001 20 5 EGBDRO CC(=O)N1CC[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000598676857 459987396 /nfs/dbraw/zinc/98/73/96/459987396.db2.gz AMTWLUHLOXCPIU-GOSISDBHSA-N 1 0 339.395 3.225 20 5 EGBDRO C[C@H]1CC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H]1CO ZINC000598678582 459988805 /nfs/dbraw/zinc/98/88/05/459988805.db2.gz ZGNWMFCEAUHZMJ-DZGCQCFKSA-N 1 0 330.384 3.305 20 5 EGBDRO C[C@@H](O)C[C@H](C[NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000602569178 460001154 /nfs/dbraw/zinc/00/11/54/460001154.db2.gz OSPKRWPXBIENBT-CRAIPNDOSA-N 1 0 328.412 3.282 20 5 EGBDRO CC[C@H](CC(F)(F)F)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602615961 460024658 /nfs/dbraw/zinc/02/46/58/460024658.db2.gz JRVBOJSYTQYCAJ-LLVKDONJSA-N 1 0 346.353 3.279 20 5 EGBDRO C[NH+](C)C1(CNCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCC1 ZINC000602627506 460031853 /nfs/dbraw/zinc/03/18/53/460031853.db2.gz FIXGRQWNYRGQGL-UHFFFAOYSA-N 1 0 331.338 3.188 20 5 EGBDRO CC(C)(C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)c1cccnc1 ZINC000602691501 460068288 /nfs/dbraw/zinc/06/82/88/460068288.db2.gz DAJOBGUWGHSSPT-UHFFFAOYSA-N 1 0 326.356 3.198 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](CC(=O)OC(C)C)C(C)C ZINC000594045614 460072205 /nfs/dbraw/zinc/07/22/05/460072205.db2.gz JOSZIAHBOPGROL-HNNXBMFYSA-N 1 0 338.404 3.059 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594098247 460100722 /nfs/dbraw/zinc/10/07/22/460100722.db2.gz RYQDLPAKUPMHMV-GOEBONIOSA-N 1 0 346.431 3.350 20 5 EGBDRO CCOC(=O)c1[nH]c(C)c(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1C ZINC000598955279 460100793 /nfs/dbraw/zinc/10/07/93/460100793.db2.gz LUAUTSGBJXVFIV-UHFFFAOYSA-N 1 0 331.372 3.006 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000602813907 460142054 /nfs/dbraw/zinc/14/20/54/460142054.db2.gz AEULHLWMYQNDCL-DLBZAZTESA-N 1 0 328.416 3.101 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000602813912 460142853 /nfs/dbraw/zinc/14/28/53/460142853.db2.gz AEULHLWMYQNDCL-IAGOWNOFSA-N 1 0 328.416 3.101 20 5 EGBDRO O=C1Nc2ccccc2C[C@@H]1[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000599073666 460152541 /nfs/dbraw/zinc/15/25/41/460152541.db2.gz GVJSRPSLLRUMCB-MSOLQXFVSA-N 1 0 337.379 3.125 20 5 EGBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@H](c3cc4ccccc4[nH]3)C2)n1 ZINC000610484863 460163046 /nfs/dbraw/zinc/16/30/46/460163046.db2.gz UBTDCRRMBKCACN-OAHLLOKOSA-N 1 0 339.399 3.152 20 5 EGBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]CCOc3ccccc3F)nc2c1 ZINC000610580787 460188175 /nfs/dbraw/zinc/18/81/75/460188175.db2.gz LBCJBPZGBAOIPD-UHFFFAOYSA-N 1 0 331.303 3.044 20 5 EGBDRO C[C@H](C(=O)N1CCC([NH+]2CCCCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000576688746 460193123 /nfs/dbraw/zinc/19/31/23/460193123.db2.gz UFWJONLLZIDQRG-HNNXBMFYSA-N 1 0 345.443 3.175 20 5 EGBDRO CCOc1cc(C[N@@H+]2CC[C@H](O)[C@@H]3CCCC[C@H]32)ccc1[N+](=O)[O-] ZINC000602997424 460215690 /nfs/dbraw/zinc/21/56/90/460215690.db2.gz JPVQNBLFASHBRA-INMHGKMJSA-N 1 0 334.416 3.119 20 5 EGBDRO CC[C@@H](C[NH+]1CCCC1)Nc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000610715939 460223551 /nfs/dbraw/zinc/22/35/51/460223551.db2.gz HNNREQOFGOSMFL-NSHDSACASA-N 1 0 329.347 3.483 20 5 EGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000611209196 460308256 /nfs/dbraw/zinc/30/82/56/460308256.db2.gz NBMXEDFGBJAMLJ-CPUCHLNUSA-N 1 0 343.427 3.131 20 5 EGBDRO CC(C)C[NH+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)CC(C)C ZINC000603582008 460324063 /nfs/dbraw/zinc/32/40/63/460324063.db2.gz DNLFSVQPIGZHTM-UHFFFAOYSA-N 1 0 333.432 3.098 20 5 EGBDRO O=[N+]([O-])c1ccc(CNc2ccc(C[NH+]3CCC(O)CC3)cc2)cc1 ZINC000611287946 460330151 /nfs/dbraw/zinc/33/01/51/460330151.db2.gz UHXKAFGYKKYFFS-UHFFFAOYSA-N 1 0 341.411 3.164 20 5 EGBDRO Cc1ccccc1OCC[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000603837038 460344732 /nfs/dbraw/zinc/34/47/32/460344732.db2.gz XDHZZQCYRRVPSM-UHFFFAOYSA-N 1 0 330.384 3.293 20 5 EGBDRO CCN(C(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000599985288 460366621 /nfs/dbraw/zinc/36/66/21/460366621.db2.gz BPKVAPMSVQVINO-UHFFFAOYSA-N 1 0 333.432 3.275 20 5 EGBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+][C@H]1C[C@H](c3ccccc3)C1)OCCO2 ZINC000619551284 460381166 /nfs/dbraw/zinc/38/11/66/460381166.db2.gz PTKFIJKWLUCYFS-KOMQPUFPSA-N 1 0 340.379 3.402 20 5 EGBDRO CC[C@H](C)[N@H+](CCO)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000600168398 460417795 /nfs/dbraw/zinc/41/77/95/460417795.db2.gz IUVAEQLPEWMSNN-LBPRGKRZSA-N 1 0 335.429 3.311 20 5 EGBDRO COc1cc(C[NH2+]CC2CC=CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000600184689 460425607 /nfs/dbraw/zinc/42/56/07/460425607.db2.gz IOWMCAISIXIGGM-UHFFFAOYSA-N 1 0 342.342 3.303 20 5 EGBDRO CC(C)c1ccc(C(=O)NC[C@@H]2CCCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000600316308 460472538 /nfs/dbraw/zinc/47/25/38/460472538.db2.gz ZJERHHSKPBAAMC-AWEZNQCLSA-N 1 0 333.432 3.180 20 5 EGBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1CCC2(CCCCC2)CC1 ZINC000612067272 460526696 /nfs/dbraw/zinc/52/66/96/460526696.db2.gz GMDKUYQDQOXHLR-INIZCTEOSA-N 1 0 348.443 3.381 20 5 EGBDRO Cc1ncc([C@H](C)[NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)s1 ZINC000601299251 460779577 /nfs/dbraw/zinc/77/95/77/460779577.db2.gz WKKGZLLXNUSOSB-QWRGUYRKSA-N 1 0 348.428 3.428 20 5 EGBDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])[C@@H](O)C(F)(F)F ZINC000601301026 460781611 /nfs/dbraw/zinc/78/16/11/460781611.db2.gz PEAHZPQCDXLJRG-FMVNMVDZSA-N 1 0 346.349 3.207 20 5 EGBDRO C[C@H](C(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000617698831 460958778 /nfs/dbraw/zinc/95/87/78/460958778.db2.gz VEHCQYNAYTYLTR-ILXRZTDVSA-N 1 0 333.432 3.077 20 5 EGBDRO CC(C)[C@H](CNc1ncnc2ccc([N+](=O)[O-])cc21)[NH+]1CCCC1 ZINC000611704186 469305495 /nfs/dbraw/zinc/30/54/95/469305495.db2.gz ZUBLWWZPKQFYJL-INIZCTEOSA-N 1 0 329.404 3.070 20 5 EGBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H](O)C2CC2)ccc1Oc1ccc(F)cc1 ZINC000558054491 518203018 /nfs/dbraw/zinc/20/30/18/518203018.db2.gz KBQKNWSWVZIVHN-QGZVFWFLSA-N 1 0 346.358 3.387 20 5 EGBDRO Cc1nccn1CCCC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000164593733 534768591 /nfs/dbraw/zinc/76/85/91/534768591.db2.gz UJCNMALGEGTYIZ-GOSISDBHSA-N 1 0 342.443 3.491 20 5 EGBDRO CC(C)([NH2+]CCn1ccc([N+](=O)[O-])n1)c1cccc(Cl)c1F ZINC000186893242 527291547 /nfs/dbraw/zinc/29/15/47/527291547.db2.gz GNMZXPUGPGQNSH-UHFFFAOYSA-N 1 0 326.759 3.109 20 5 EGBDRO CC(C)c1ccc(C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000189881679 528065869 /nfs/dbraw/zinc/06/58/69/528065869.db2.gz STYVZCHGFHBGMZ-OAHLLOKOSA-N 1 0 345.443 3.276 20 5 EGBDRO CC(C)[NH+](CCSCc1ccc(C(N)=O)cc1[N+](=O)[O-])C(C)C ZINC000161092770 528912406 /nfs/dbraw/zinc/91/24/06/528912406.db2.gz QJDJGEACAKPHIB-UHFFFAOYSA-N 1 0 339.461 3.046 20 5 EGBDRO O=[N+]([O-])c1ccc(NC(=S)N2CCC[N@@H+](C3CCCC3)CC2)cc1 ZINC000737460117 576232725 /nfs/dbraw/zinc/23/27/25/576232725.db2.gz CNCIDGPZRDYOBL-UHFFFAOYSA-N 1 0 348.472 3.242 20 5 EGBDRO O=C(C[N@@H+]1CCC[C@@H]2CCC[C@@H]21)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000744409386 576827629 /nfs/dbraw/zinc/82/76/29/576827629.db2.gz PNKIPEHKBOJDEE-FZMZJTMJSA-N 1 0 337.807 3.451 20 5 EGBDRO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000041701537 1291419561 /nfs/dbraw/zinc/41/95/61/1291419561.db2.gz QUJMHOWZYHTBCJ-HNNXBMFYSA-N 1 0 349.431 3.126 20 5 EGBDRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000078385895 1292508378 /nfs/dbraw/zinc/50/83/78/1292508378.db2.gz TXDZUGKMALFANY-LBPRGKRZSA-N 1 0 341.839 3.489 20 5 EGBDRO Cc1nn(C[N@@H+]2CCC[C@@H]2Cc2ccc(C)cc2)c(C)c1[N+](=O)[O-] ZINC000113246079 1293145763 /nfs/dbraw/zinc/14/57/63/1293145763.db2.gz NJPMCWWKNAJBJO-QGZVFWFLSA-N 1 0 328.416 3.381 20 5 EGBDRO O=C(O[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000117093285 1293215652 /nfs/dbraw/zinc/21/56/52/1293215652.db2.gz QJAVVULVVPVYII-OAHLLOKOSA-N 1 0 326.352 3.026 20 5 EGBDRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000123203268 1293436494 /nfs/dbraw/zinc/43/64/94/1293436494.db2.gz WRBZXIGJFBHFLK-HZPDHXFCSA-N 1 0 349.431 3.173 20 5 EGBDRO CCC[NH+]1CCC(NC(=O)c2cc(Cl)c(C)cc2[N+](=O)[O-])CC1 ZINC000836240777 1293465794 /nfs/dbraw/zinc/46/57/94/1293465794.db2.gz PADVVEKDWYNUOA-UHFFFAOYSA-N 1 0 339.823 3.161 20 5 EGBDRO CCOC(=O)N[C@@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)CC(C)C ZINC000125528277 1293509817 /nfs/dbraw/zinc/50/98/17/1293509817.db2.gz VHHUKLURHWQYFE-UKRRQHHQSA-N 1 0 337.420 3.406 20 5 EGBDRO O=C(CC[N@@H+]1CCC[C@H]1C1CCC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000128495483 1293595304 /nfs/dbraw/zinc/59/53/04/1293595304.db2.gz DCXRANQXPXWQOJ-INIZCTEOSA-N 1 0 335.379 3.327 20 5 EGBDRO CSC[C@@H]1CCC[N@@H+]1Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000130902226 1293672025 /nfs/dbraw/zinc/67/20/25/1293672025.db2.gz ZADCTRVZABEZME-INIZCTEOSA-N 1 0 332.429 3.243 20 5 EGBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)C[NH+]1CCCCC1 ZINC000152691864 1293981466 /nfs/dbraw/zinc/98/14/66/1293981466.db2.gz VGMOKVYQIGFWTL-LBPRGKRZSA-N 1 0 339.823 3.100 20 5 EGBDRO CC(=O)c1ccc(N(CC[NH+](C)C)Cc2cccs2)c([N+](=O)[O-])c1 ZINC000162250417 1294311302 /nfs/dbraw/zinc/31/13/02/1294311302.db2.gz KQPMPKMEKVMZNK-UHFFFAOYSA-N 1 0 347.440 3.427 20 5 EGBDRO CC(C)[NH+]1CCC(CCNC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000870954757 1296151934 /nfs/dbraw/zinc/15/19/34/1296151934.db2.gz JBUWXOFTFHHJOC-OAHLLOKOSA-N 1 0 347.459 3.325 20 5 EGBDRO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000236722041 1296199117 /nfs/dbraw/zinc/19/91/17/1296199117.db2.gz RQRCMTOIRNOYBX-CQSZACIVSA-N 1 0 335.404 3.084 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC1(C(N)=O)CCCC1 ZINC000872035642 1296684349 /nfs/dbraw/zinc/68/43/49/1296684349.db2.gz PQCGPPRNYWTFIK-LLVKDONJSA-N 1 0 337.445 3.013 20 5 EGBDRO COCCOC[C@H](C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872049844 1296701001 /nfs/dbraw/zinc/70/10/01/1296701001.db2.gz VFPSKFBBGVRJGE-NWDGAFQWSA-N 1 0 328.434 3.019 20 5 EGBDRO CO[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2Br)C1(C)C ZINC000300638141 1296783029 /nfs/dbraw/zinc/78/30/29/1296783029.db2.gz MFMLUNXEKKFNGL-RYUDHWBXSA-N 1 0 343.221 3.260 20 5 EGBDRO CSC1CC[NH+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)CC1 ZINC000872628495 1297032895 /nfs/dbraw/zinc/03/28/95/1297032895.db2.gz BBEAJBHWTBVDER-UHFFFAOYSA-N 1 0 332.429 3.243 20 5 EGBDRO CC[C@@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)[C@@H](O)c1ccccc1 ZINC000873193523 1297338430 /nfs/dbraw/zinc/33/84/30/1297338430.db2.gz LHUZILKUYIAQRY-QAPCUYQASA-N 1 0 330.384 3.205 20 5 EGBDRO CC(C)(C)OC(=O)NC(C)(C)CC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000406031464 1297765885 /nfs/dbraw/zinc/76/58/85/1297765885.db2.gz VQWNYOUIOVMOKH-UHFFFAOYSA-N 1 0 343.449 3.439 20 5 EGBDRO O=C(Nc1ccc(F)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000875054139 1298215302 /nfs/dbraw/zinc/21/53/02/1298215302.db2.gz IGKHKSVQCZQZPQ-CQSZACIVSA-N 1 0 343.358 3.195 20 5 EGBDRO CC(C)(C)OC(=O)N1CC[C@@](C)([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000706426407 1298220566 /nfs/dbraw/zinc/22/05/66/1298220566.db2.gz ZWABJBNIUCYTEP-OAHLLOKOSA-N 1 0 341.433 3.145 20 5 EGBDRO Cn1cc(C[C@H]2CC[N@H+](Cc3cc(Cl)ccc3[N+](=O)[O-])C2)cn1 ZINC000746679612 1298640337 /nfs/dbraw/zinc/64/03/37/1298640337.db2.gz QDTLLCQIEVNYER-GFCCVEGCSA-N 1 0 334.807 3.046 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](CC)CCc1ccccn1 ZINC000747840877 1298869690 /nfs/dbraw/zinc/86/96/90/1298869690.db2.gz YUEFQCHIBRQHFP-UHFFFAOYSA-N 1 0 329.400 3.453 20 5 EGBDRO Cc1c(CC(=O)Nc2ccc(C[NH+](C)C)c(F)c2)cccc1[N+](=O)[O-] ZINC000747917536 1298889196 /nfs/dbraw/zinc/88/91/96/1298889196.db2.gz ZBBKRUCLDCRXJJ-UHFFFAOYSA-N 1 0 345.374 3.285 20 5 EGBDRO C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccc(N2CCOC2=O)cc1 ZINC000748819340 1299084579 /nfs/dbraw/zinc/08/45/79/1299084579.db2.gz FPKWJTIZCYFMPH-CYBMUJFWSA-N 1 0 341.367 3.402 20 5 EGBDRO C[NH+](C)Cc1ccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1F ZINC000749153935 1299154680 /nfs/dbraw/zinc/15/46/80/1299154680.db2.gz FJGPDOHIYYVVPP-BJMVGYQFSA-N 1 0 343.358 3.447 20 5 EGBDRO CN(C(=O)OC(C)(C)C)[C@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000749803609 1299276169 /nfs/dbraw/zinc/27/61/69/1299276169.db2.gz AEEVUWRJRPVTLW-INIZCTEOSA-N 1 0 349.431 3.079 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1nnc(C[N@@H+]2CCC[C@H](C3CC3)C2)o1 ZINC000878621601 1300112475 /nfs/dbraw/zinc/11/24/75/1300112475.db2.gz DUOMPEXSWHMZPP-ZDUSSCGKSA-N 1 0 328.372 3.267 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000879528789 1300583467 /nfs/dbraw/zinc/58/34/67/1300583467.db2.gz AWUABCFFCBZKNY-GASCZTMLSA-N 1 0 329.400 3.130 20 5 EGBDRO C[C@H](C(=O)NCc1cc([N+](=O)[O-])ccc1Cl)[NH+]1CCCCCC1 ZINC000756999013 1300608331 /nfs/dbraw/zinc/60/83/31/1300608331.db2.gz VDVNXWBSECTLQV-GFCCVEGCSA-N 1 0 339.823 3.129 20 5 EGBDRO Cc1nn(CN(C)[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000758262265 1300836917 /nfs/dbraw/zinc/83/69/17/1300836917.db2.gz CEHZUHMWXWWLFH-NVXWUHKLSA-N 1 0 348.378 3.048 20 5 EGBDRO CCCN(CC[NH+](CC)CC)C(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000763361189 1301886590 /nfs/dbraw/zinc/88/65/90/1301886590.db2.gz CJUXSLXRAOUAPC-UHFFFAOYSA-N 1 0 338.477 3.345 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@@H]3CCCC34OCCO4)o2)c1 ZINC000883178845 1302286585 /nfs/dbraw/zinc/28/65/85/1302286585.db2.gz GJTAPWYCOAOCJB-QGZVFWFLSA-N 1 0 344.367 3.240 20 5 EGBDRO COc1cccc([C@@H](O)C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000765910339 1302348449 /nfs/dbraw/zinc/34/84/49/1302348449.db2.gz NFWZCPHHWKKJJW-ACJLOTCBSA-N 1 0 330.384 3.296 20 5 EGBDRO CC(C)[C@H]([NH3+])C(C)(C)C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000884062536 1302715078 /nfs/dbraw/zinc/71/50/78/1302715078.db2.gz TZYUEQKUBFJTQM-AWEZNQCLSA-N 1 0 341.839 3.216 20 5 EGBDRO CCC[C@H](C)[C@H]1CCC[N@@H+]1Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000767765786 1302760489 /nfs/dbraw/zinc/76/04/89/1302760489.db2.gz OWHQYWMPEFOKRJ-GXTWGEPZSA-N 1 0 333.388 3.361 20 5 EGBDRO CCC[C@H](C)[C@@H]1CCC[N@@H+]1Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000767765787 1302760596 /nfs/dbraw/zinc/76/05/96/1302760596.db2.gz OWHQYWMPEFOKRJ-JSGCOSHPSA-N 1 0 333.388 3.361 20 5 EGBDRO CC[C@H]1Cc2ccccc2C[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000767884448 1302779053 /nfs/dbraw/zinc/77/90/53/1302779053.db2.gz SQVOUIRXFUBVFS-PKOBYXMFSA-N 1 0 326.396 3.465 20 5 EGBDRO COc1cc(N2CCC(c3[nH]c(C)c(C)[nH+]3)CC2)c(F)cc1[N+](=O)[O-] ZINC000884707300 1302959428 /nfs/dbraw/zinc/95/94/28/1302959428.db2.gz GFZOPPVBHUHNQV-UHFFFAOYSA-N 1 0 348.378 3.466 20 5 EGBDRO Cc1ccc(C[N@H+]2CCC[C@H](c3ccnc(C)n3)C2)cc1[N+](=O)[O-] ZINC000768941208 1303017545 /nfs/dbraw/zinc/01/75/45/1303017545.db2.gz QNHMSDNVQLXESU-INIZCTEOSA-N 1 0 326.400 3.381 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)OCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000769091783 1303045839 /nfs/dbraw/zinc/04/58/39/1303045839.db2.gz IMVJRMWEKQNMFO-UHFFFAOYSA-N 1 0 346.358 3.331 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)CNC(=O)OC(C)(C)C ZINC000769412697 1303109785 /nfs/dbraw/zinc/10/97/85/1303109785.db2.gz ABZJIXMUKSEHMR-OLZOCXBDSA-N 1 0 337.420 3.467 20 5 EGBDRO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CC[C@H]1Cc1ccccc1)OCCO2 ZINC000769505889 1303130330 /nfs/dbraw/zinc/13/03/30/1303130330.db2.gz JNFBEKFSUKFYOU-INIZCTEOSA-N 1 0 340.379 3.183 20 5 EGBDRO O=[N+]([O-])c1ncccc1C[N@@H+](CCCO)[C@H]1CCCc2ccccc21 ZINC000886033007 1303326169 /nfs/dbraw/zinc/32/61/69/1303326169.db2.gz QLPJMJKRIVXGJE-SFHVURJKSA-N 1 0 341.411 3.252 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(C[NH+](C)C)c(F)c1 ZINC000772339715 1303521698 /nfs/dbraw/zinc/52/16/98/1303521698.db2.gz COOSBZZLQIKOED-UHFFFAOYSA-N 1 0 331.347 3.356 20 5 EGBDRO CCC1(O)CCC([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000772464404 1303536346 /nfs/dbraw/zinc/53/63/46/1303536346.db2.gz AKIIPQBSQTVYDM-UHFFFAOYSA-N 1 0 347.459 3.237 20 5 EGBDRO C[NH+]1CCC(ONC(=O)c2cc3ccccc3c3cccnc23)CC1 ZINC000773550805 1303704449 /nfs/dbraw/zinc/70/44/49/1303704449.db2.gz MCZRDNWDAHYWJF-UHFFFAOYSA-N 1 0 335.407 3.144 20 5 EGBDRO COC(=O)Cc1ccccc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000775196471 1303923762 /nfs/dbraw/zinc/92/37/62/1303923762.db2.gz ZXLVPNMXBSDVTG-ZDUSSCGKSA-N 1 0 328.368 3.161 20 5 EGBDRO COc1ccc(CCC[N@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000776277978 1304126195 /nfs/dbraw/zinc/12/61/95/1304126195.db2.gz RTZCJBCHMBGJPC-LJQANCHMSA-N 1 0 344.411 3.201 20 5 EGBDRO CC(C)CCOC1CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776278825 1304127763 /nfs/dbraw/zinc/12/77/63/1304127763.db2.gz WAULPNXTCUAKSC-GOSISDBHSA-N 1 0 336.432 3.155 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@H+](Cc2ccccc2F)C2CC2)cc1 ZINC000776280379 1304127787 /nfs/dbraw/zinc/12/77/87/1304127787.db2.gz ZBJRGUGIESEWML-GOSISDBHSA-N 1 0 330.359 3.432 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CC[C@H](c3ccccc3F)C2)cc1 ZINC000776582297 1304175304 /nfs/dbraw/zinc/17/53/04/1304175304.db2.gz OKWGXNVQEXCLQL-KSSFIOAISA-N 1 0 330.359 3.257 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C2(c3ccc(F)cc3)CCC2)cc1 ZINC000776586584 1304176063 /nfs/dbraw/zinc/17/60/63/1304176063.db2.gz GEAYFZZAIYBQKX-KRWDZBQOSA-N 1 0 330.359 3.436 20 5 EGBDRO CCC1(CC)[C@H](OC)C[C@H]1[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776590718 1304176690 /nfs/dbraw/zinc/17/66/90/1304176690.db2.gz HFYUPKZMULMVRS-BRWVUGGUSA-N 1 0 336.432 3.154 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC[C@H]2c2ccc(O)cc2)cc1 ZINC000776588986 1304176839 /nfs/dbraw/zinc/17/68/39/1304176839.db2.gz XZMMRWUTNYWQPJ-ZWKOTPCHSA-N 1 0 328.368 3.171 20 5 EGBDRO O=[N+]([O-])c1cnn(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3CCCC[C@H]32)c1 ZINC000776770645 1304195545 /nfs/dbraw/zinc/19/55/45/1304195545.db2.gz BFABPYQXSVBBRL-RCCFBDPRSA-N 1 0 326.400 3.407 20 5 EGBDRO CCOC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000776822381 1304206161 /nfs/dbraw/zinc/20/61/61/1304206161.db2.gz JQEZIDWFEWJRQP-GDBMZVCRSA-N 1 0 349.431 3.250 20 5 EGBDRO O=[N+]([O-])c1ccc2nc(N3CCC[C@@H]3C[NH+]3CCCC3)sc2c1 ZINC000777784826 1304345978 /nfs/dbraw/zinc/34/59/78/1304345978.db2.gz PPILCZCSFCUODH-CYBMUJFWSA-N 1 0 332.429 3.269 20 5 EGBDRO C[C@H]([N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C(C)(C)C ZINC000782477296 1304981440 /nfs/dbraw/zinc/98/14/40/1304981440.db2.gz MFUWHDCFMHPYLE-NSHDSACASA-N 1 0 325.384 3.429 20 5 EGBDRO CCSCC[C@@H](C)[N@H+](C)Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000892203128 1305279267 /nfs/dbraw/zinc/27/92/67/1305279267.db2.gz RDSMZVVCYTVQMK-LLVKDONJSA-N 1 0 328.434 3.273 20 5 EGBDRO COc1c(O)ccc(C[NH2+]CCSc2ccccc2)c1[N+](=O)[O-] ZINC000892452243 1305381922 /nfs/dbraw/zinc/38/19/22/1305381922.db2.gz KPRPTMBRZQUABU-UHFFFAOYSA-N 1 0 334.397 3.191 20 5 EGBDRO C[C@@](O)(C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])c1cccs1 ZINC000892992885 1305643551 /nfs/dbraw/zinc/64/35/51/1305643551.db2.gz MHRJYZPWTBMTPW-CQSZACIVSA-N 1 0 326.805 3.307 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(C2OCCO2)CC1 ZINC000787406412 1305741835 /nfs/dbraw/zinc/74/18/35/1305741835.db2.gz LHJZHBIKKFCNNI-SDNWHVSQSA-N 1 0 332.400 3.083 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCCC[C@@H]1C1OCCO1 ZINC000787407849 1305741851 /nfs/dbraw/zinc/74/18/51/1305741851.db2.gz WCGSUVRTTNJZLF-GWKQRERASA-N 1 0 332.400 3.226 20 5 EGBDRO COC(=O)N1CCC[C@@H]([NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000788579201 1305974252 /nfs/dbraw/zinc/97/42/52/1305974252.db2.gz ZIHLTVZYWPLUDM-MLGOLLRUSA-N 1 0 347.415 3.138 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000789427868 1306160355 /nfs/dbraw/zinc/16/03/55/1306160355.db2.gz NSKGTBIGYBEKDF-AWEZNQCLSA-N 1 0 334.420 3.208 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C[C@H](O)Cc1cccc(F)c1 ZINC000894661267 1309009437 /nfs/dbraw/zinc/00/94/37/1309009437.db2.gz NDYIFDNKTLPNRK-OAHLLOKOSA-N 1 0 338.766 3.081 20 5 EGBDRO CC[C@H](C[NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-])CC(F)(F)F ZINC000894906952 1309123061 /nfs/dbraw/zinc/12/30/61/1309123061.db2.gz XNXRVGUMCZFBNH-VIFPVBQESA-N 1 0 336.310 3.377 20 5 EGBDRO COc1cc(C[NH2+]C[C@H]2C=CCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000895528043 1309385251 /nfs/dbraw/zinc/38/52/51/1309385251.db2.gz SCRCAQXZUBQXAA-NSHDSACASA-N 1 0 342.342 3.303 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1C ZINC000895541941 1309391267 /nfs/dbraw/zinc/39/12/67/1309391267.db2.gz RNSAHBSXNRGBBW-UHFFFAOYSA-N 1 0 333.432 3.251 20 5 EGBDRO CCOC1(C)CC[NH+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)CC1 ZINC000793545562 1309401526 /nfs/dbraw/zinc/40/15/26/1309401526.db2.gz IATCFDMDIVQAOB-UHFFFAOYSA-N 1 0 344.415 3.307 20 5 EGBDRO O=[N+]([O-])c1sc(C[NH2+][C@@H]2CCO[C@H]2C2CC2)cc1Br ZINC000896409118 1309846768 /nfs/dbraw/zinc/84/67/68/1309846768.db2.gz IEXCYBKTFPQXCT-MNOVXSKESA-N 1 0 347.234 3.076 20 5 EGBDRO C[NH+]1CCC2(CCCN(Cc3c(F)cc([N+](=O)[O-])cc3F)C2)CC1 ZINC000796055723 1309894680 /nfs/dbraw/zinc/89/46/80/1309894680.db2.gz DQWSLCVANBQFQO-UHFFFAOYSA-N 1 0 339.386 3.181 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccc(CCO)cc1 ZINC000898170937 1310612598 /nfs/dbraw/zinc/61/25/98/1310612598.db2.gz OGDUCENSSYSHKA-RVDMUPIBSA-N 1 0 326.396 3.323 20 5 EGBDRO C[C@H](C(=O)OCCC[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000800199271 1310700075 /nfs/dbraw/zinc/70/00/75/1310700075.db2.gz BMHYNOCJWOOTRV-ZDUSSCGKSA-N 1 0 338.379 3.257 20 5 EGBDRO CC1CCC([NH+]2CCN(Cc3ccc([N+](=O)[O-])c(F)c3)CC2)CC1 ZINC000801517874 1310952191 /nfs/dbraw/zinc/95/21/91/1310952191.db2.gz WERMGEKHPRQVFE-UHFFFAOYSA-N 1 0 335.423 3.430 20 5 EGBDRO CC[NH+](CC)CCCCNC(=O)c1cc(Cl)c(C)cc1[N+](=O)[O-] ZINC000836697402 1320522581 /nfs/dbraw/zinc/52/25/81/1320522581.db2.gz HJNCSZZBORDJNM-UHFFFAOYSA-N 1 0 341.839 3.408 20 5 EGBDRO CC[C@H](C)[NH+]1CCN(C(=O)c2cc(Cl)c(C)cc2[N+](=O)[O-])CC1 ZINC000837004766 1320564744 /nfs/dbraw/zinc/56/47/44/1320564744.db2.gz BCFCXNCCLOQRDC-LBPRGKRZSA-N 1 0 339.823 3.113 20 5 EGBDRO N[C@H](Cc1c[nH]c2ccccc12)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000899994555 1317214812 /nfs/dbraw/zinc/21/48/12/1317214812.db2.gz GTKYMBHJWIZPLG-OAHLLOKOSA-N 1 0 349.350 3.369 20 5 EGBDRO N[C@H](Cc1c[nH]c2ccccc12)c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000899994264 1317215019 /nfs/dbraw/zinc/21/50/19/1317215019.db2.gz XAHDCVNAXGGMAR-OAHLLOKOSA-N 1 0 349.350 3.369 20 5 EGBDRO CCCN(CC[NH+]1CCCCC1)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000804566363 1317259969 /nfs/dbraw/zinc/25/99/69/1317259969.db2.gz CRZRTWOKQCOEHW-UHFFFAOYSA-N 1 0 337.395 3.072 20 5 EGBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC[C@H]1C[NH3+] ZINC000900381599 1317282898 /nfs/dbraw/zinc/28/28/98/1317282898.db2.gz WDDLDTBDJOWNCQ-OCCSQVGLSA-N 1 0 344.390 3.217 20 5 EGBDRO Cc1ccsc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001019940559 1317467692 /nfs/dbraw/zinc/46/76/92/1317467692.db2.gz NEFULBVGLDTAJZ-HDJSIYSDSA-N 1 0 345.424 3.015 20 5 EGBDRO CCC(=O)N1CCC(C[N@@H+](CC)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000957656510 1317527238 /nfs/dbraw/zinc/52/72/38/1317527238.db2.gz IJXLXEJYGXOVRK-UHFFFAOYSA-N 1 0 333.432 3.065 20 5 EGBDRO COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2SC)C1 ZINC000903129489 1317659558 /nfs/dbraw/zinc/65/95/58/1317659558.db2.gz CQZHJCQMMNFSAC-TUAOUCFPSA-N 1 0 338.429 3.309 20 5 EGBDRO CN(C)c1ccnc(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000903201528 1317673695 /nfs/dbraw/zinc/67/36/95/1317673695.db2.gz IIXPNKCDWKRGQN-GOSISDBHSA-N 1 0 340.427 3.167 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CC[C@H]1CCCC[C@H]1O)C1CC1 ZINC000903265715 1317682375 /nfs/dbraw/zinc/68/23/75/1317682375.db2.gz RHIGTLROJADHRI-SZVBFZGTSA-N 1 0 332.444 3.447 20 5 EGBDRO CCCN(CC[NH+]1CCCCCC1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000808781396 1317733502 /nfs/dbraw/zinc/73/35/02/1317733502.db2.gz DTISCYSEAWJZLY-LJQANCHMSA-N 1 0 349.475 3.216 20 5 EGBDRO CC[N@@H+]1C[C@H](C)N(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C[C@@H]1C ZINC000809913629 1317916968 /nfs/dbraw/zinc/91/69/68/1317916968.db2.gz PVEBWRUJYGBLGT-QWRGUYRKSA-N 1 0 340.811 3.195 20 5 EGBDRO CC[NH+](CC)C[C@@H](C)NC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000809911380 1317917180 /nfs/dbraw/zinc/91/71/80/1317917180.db2.gz MIFUUSXOVPIURK-SNVBAGLBSA-N 1 0 328.800 3.100 20 5 EGBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1CN1CC[NH+](CC2CC2)CC1 ZINC000809935788 1317921063 /nfs/dbraw/zinc/92/10/63/1317921063.db2.gz LYXORJVTCDEJTL-UHFFFAOYSA-N 1 0 344.242 3.429 20 5 EGBDRO Cc1ccccc1CNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000905853617 1318008673 /nfs/dbraw/zinc/00/86/73/1318008673.db2.gz UEKXRBLMJGSWHV-CABCVRRESA-N 1 0 341.411 3.259 20 5 EGBDRO Cc1ccc(CN2CCCC[C@H]2COC(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000811511881 1318189759 /nfs/dbraw/zinc/18/97/59/1318189759.db2.gz WYKNWCWUGJSDOB-INIZCTEOSA-N 1 0 347.415 3.146 20 5 EGBDRO COc1cccc([C@@H](C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)OC)c1 ZINC000858443767 1328763286 /nfs/dbraw/zinc/76/32/86/1328763286.db2.gz WZJYQEYTGXRUIA-KPZWWZAWSA-N 1 0 345.399 3.224 20 5 EGBDRO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@](CO)(c3ccccc3)C2)cc1Cl ZINC000812781492 1318453898 /nfs/dbraw/zinc/45/38/98/1318453898.db2.gz WHUFRYSXEWUIKK-GOSISDBHSA-N 1 0 346.814 3.384 20 5 EGBDRO CN(C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])[C@@H]1CCC[N@H+](C)C1 ZINC000813025558 1318489247 /nfs/dbraw/zinc/48/92/47/1318489247.db2.gz UWIZOKGBFLBLCZ-SNVBAGLBSA-N 1 0 346.214 3.068 20 5 EGBDRO Cc1cc(C[NH+](C)C)ccc1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000909608326 1318500198 /nfs/dbraw/zinc/50/01/98/1318500198.db2.gz PDZCOPFIVLJGTP-UHFFFAOYSA-N 1 0 327.384 3.146 20 5 EGBDRO C[C@H](CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000813595534 1318599819 /nfs/dbraw/zinc/59/98/19/1318599819.db2.gz XIRXPSNHRPYEAE-CQSZACIVSA-N 1 0 348.447 3.004 20 5 EGBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815565452 1319016646 /nfs/dbraw/zinc/01/66/46/1319016646.db2.gz OQUFZAIZNGJZLU-BARDWOONSA-N 1 0 334.464 3.194 20 5 EGBDRO C[C@H](C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)Oc1ccc(F)cc1 ZINC000815583293 1319021428 /nfs/dbraw/zinc/02/14/28/1319021428.db2.gz BLAFJAJFCQMEJO-VXGBXAGGSA-N 1 0 333.363 3.434 20 5 EGBDRO COc1cccc2c1OCC[C@@H]2[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815593261 1319024375 /nfs/dbraw/zinc/02/43/75/1319024375.db2.gz HDDLPCQALBLXGC-ABAIWWIYSA-N 1 0 343.383 3.360 20 5 EGBDRO C[C@@H]([NH2+][C@@H]1CN(C)Cc2ccccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815599021 1319024533 /nfs/dbraw/zinc/02/45/33/1319024533.db2.gz IYPDDEWUXFWGNE-SJKOYZFVSA-N 1 0 326.400 3.014 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000930317870 1328832318 /nfs/dbraw/zinc/83/23/18/1328832318.db2.gz XJWMTVKLCWVBPZ-ZDUSSCGKSA-N 1 0 334.420 3.206 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CC2(c3ccccc3)CCC2)cc1 ZINC000818945774 1319584840 /nfs/dbraw/zinc/58/48/40/1319584840.db2.gz NZONMOXZAGRREC-GOSISDBHSA-N 1 0 326.396 3.340 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](O)c1ccc(Cl)cc1 ZINC000818968786 1319594836 /nfs/dbraw/zinc/59/48/36/1319594836.db2.gz XGDWHFMPMITLPW-HNNXBMFYSA-N 1 0 336.775 3.080 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]Cc2ccccc2N2CCCC2)c1 ZINC000818972903 1319598219 /nfs/dbraw/zinc/59/82/19/1319598219.db2.gz OMCFLZWGDAJUOU-IBGZPJMESA-N 1 0 341.411 3.018 20 5 EGBDRO CCc1cccc2c1OCC[C@H]2[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000818997626 1319610387 /nfs/dbraw/zinc/61/03/87/1319610387.db2.gz HLMGZPXRAQPUMR-MSOLQXFVSA-N 1 0 342.395 3.304 20 5 EGBDRO CCO[C@@H](CC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000819128665 1319643928 /nfs/dbraw/zinc/64/39/28/1319643928.db2.gz PQSLQKSGCMTQTR-MSOLQXFVSA-N 1 0 336.432 3.203 20 5 EGBDRO CC[C@@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)Oc1ccccc1C ZINC000819136601 1319644331 /nfs/dbraw/zinc/64/43/31/1319644331.db2.gz LGCZUFNHNSIIDW-ROUUACIJSA-N 1 0 344.411 3.384 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H]2CCOC3(CCCCC3)C2)cc1 ZINC000819175092 1319657340 /nfs/dbraw/zinc/65/73/40/1319657340.db2.gz UGAFNNSTYUMFQD-DOTOQJQBSA-N 1 0 334.416 3.100 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CC2(Cc3ccccc3)CC2)cc1 ZINC000819180617 1319658681 /nfs/dbraw/zinc/65/86/81/1319658681.db2.gz ULZSUAWTBSGXBK-SFHVURJKSA-N 1 0 326.396 3.241 20 5 EGBDRO CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819203764 1319666371 /nfs/dbraw/zinc/66/63/71/1319666371.db2.gz LZKPKJXWRRHYAN-RZAIGCCYSA-N 1 0 348.374 3.133 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H]2C[C@H]2c2c(F)cccc2F)c1 ZINC000819280717 1319688667 /nfs/dbraw/zinc/68/86/67/1319688667.db2.gz CYRHUGPHPXLFFM-WQVCFCJDSA-N 1 0 334.322 3.052 20 5 EGBDRO CC[NH+](CC)[C@H](C(=O)Nc1ccc(N)c([N+](=O)[O-])c1)c1ccccc1 ZINC000819921259 1319802735 /nfs/dbraw/zinc/80/27/35/1319802735.db2.gz ZRUOWJIGTPAGNK-KRWDZBQOSA-N 1 0 342.399 3.199 20 5 EGBDRO Cc1cnc(COC(=O)c2cccc(C[NH+](C)C)c2)c(C)c1[N+](=O)[O-] ZINC000821627910 1320023834 /nfs/dbraw/zinc/02/38/34/1320023834.db2.gz SXEZLPOEMPATAT-UHFFFAOYSA-N 1 0 343.383 3.025 20 5 EGBDRO Cc1c(Cc2noc(CC3(C[NH3+])CCCCC3)n2)cccc1[N+](=O)[O-] ZINC000822862437 1320130521 /nfs/dbraw/zinc/13/05/21/1320130521.db2.gz ITBNXFFQQMBLFP-UHFFFAOYSA-N 1 0 344.415 3.329 20 5 EGBDRO CN(C(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)C(C)(C)C[NH+]1CCCC1 ZINC000822952777 1320140236 /nfs/dbraw/zinc/14/02/36/1320140236.db2.gz NKZPHMHUOSBCMM-IRXDYDNUSA-N 1 0 345.443 3.031 20 5 EGBDRO C[C@@H](CCCc1cccnc1)[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000839143623 1320879447 /nfs/dbraw/zinc/87/94/47/1320879447.db2.gz QYKKCKLYXQTFCM-ZDUSSCGKSA-N 1 0 344.371 3.399 20 5 EGBDRO OC[C@@H]1C[N@H+](Cc2c3ccccc3c(Cl)c3ccccc32)C[C@@H]1O ZINC000839169217 1320883322 /nfs/dbraw/zinc/88/33/22/1320883322.db2.gz GZKBXYCCVZHDKH-DJJJIMSYSA-N 1 0 341.838 3.431 20 5 EGBDRO C[C@H](Cc1cccc(F)c1)[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000839195952 1320892099 /nfs/dbraw/zinc/89/20/99/1320892099.db2.gz PVTFGADVLVPOPS-ACJLOTCBSA-N 1 0 332.375 3.330 20 5 EGBDRO COC1([C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2Br)CCC1 ZINC000839661188 1320954639 /nfs/dbraw/zinc/95/46/39/1320954639.db2.gz TXSLHOLAIHKSQG-JTQLQIEISA-N 1 0 343.221 3.405 20 5 EGBDRO Cc1cc(NC(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000930732568 1328953129 /nfs/dbraw/zinc/95/31/29/1328953129.db2.gz NEDCMXGEEYKGLT-HNNXBMFYSA-N 1 0 346.431 3.099 20 5 EGBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000843828748 1321551251 /nfs/dbraw/zinc/55/12/51/1321551251.db2.gz XXFUJKQBZSLGPU-UHFFFAOYSA-N 1 0 349.406 3.133 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000930862145 1328989766 /nfs/dbraw/zinc/98/97/66/1328989766.db2.gz JAFJJNWOLAJWPU-CQSZACIVSA-N 1 0 334.420 3.158 20 5 EGBDRO CCC(C)(C)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000848391152 1321956944 /nfs/dbraw/zinc/95/69/44/1321956944.db2.gz XGKXCTVPVMEKGH-UHFFFAOYSA-N 1 0 339.823 3.195 20 5 EGBDRO CC(C)O[C@@H]1CCCN(Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C1 ZINC000848489400 1321964527 /nfs/dbraw/zinc/96/45/27/1321964527.db2.gz LXHMPAJNUWUHQJ-MRXNPFEDSA-N 1 0 344.415 3.305 20 5 EGBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000919965114 1322123228 /nfs/dbraw/zinc/12/32/28/1322123228.db2.gz OAFWYZAGUATPCD-FRRDWIJNSA-N 1 0 336.392 3.281 20 5 EGBDRO Cc1cccc(C(=O)NCc2ccc(-n3ccnc3)cc2)c1[N+](=O)[O-] ZINC000921149749 1322264562 /nfs/dbraw/zinc/26/45/62/1322264562.db2.gz XBINUAHJFKVZQZ-UHFFFAOYSA-N 1 0 336.351 3.019 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@](O)(c2ccccc2)C1 ZINC000859589886 1329028396 /nfs/dbraw/zinc/02/83/96/1329028396.db2.gz RFCQJAJOSRGXCL-IBGZPJMESA-N 1 0 342.395 3.087 20 5 EGBDRO CN1CC[C@H]1C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000922575207 1322561433 /nfs/dbraw/zinc/56/14/33/1322561433.db2.gz DUNDAEAIPKIRDM-LBPRGKRZSA-N 1 0 335.791 3.302 20 5 EGBDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000859644425 1329044038 /nfs/dbraw/zinc/04/40/38/1329044038.db2.gz IRRIILQNBMMMFS-GFCCVEGCSA-N 1 0 339.823 3.195 20 5 EGBDRO CC[C@H](CC(F)F)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000851714158 1323072321 /nfs/dbraw/zinc/07/23/21/1323072321.db2.gz FIQPXYBEJNBOQF-CYBMUJFWSA-N 1 0 327.375 3.398 20 5 EGBDRO Cc1noc(C[N@@H+]2CCCCC[C@H]2C[C@H](O)c2ccco2)c1[N+](=O)[O-] ZINC000851810200 1323095218 /nfs/dbraw/zinc/09/52/18/1323095218.db2.gz YOQBMYMDCODCPO-KBPBESRZSA-N 1 0 349.387 3.353 20 5 EGBDRO CN(Cc1c(Br)cccc1[N+](=O)[O-])[C@@H]1CCCC[C@H]1O ZINC000931382466 1329107909 /nfs/dbraw/zinc/10/79/09/1329107909.db2.gz PFXHKEJPVRZTNF-ZIAGYGMSSA-N 1 0 343.221 3.093 20 5 EGBDRO O=[N+]([O-])c1c(F)cccc1NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000853810627 1325166307 /nfs/dbraw/zinc/16/63/07/1325166307.db2.gz BZGAESGAKWYVMP-UHFFFAOYSA-N 1 0 344.390 3.453 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]CC1CC2(C1)OCCO2 ZINC000927003312 1327815503 /nfs/dbraw/zinc/81/55/03/1327815503.db2.gz MAXMVUMLIKOVTN-RDJZCZTQSA-N 1 0 346.427 3.049 20 5 EGBDRO C[C@@H](CNc1cc(F)c([N+](=O)[O-])cc1CO)[N@H+](C)Cc1ccccc1 ZINC000865532647 1329710315 /nfs/dbraw/zinc/71/03/15/1329710315.db2.gz JCISBQOUWSFFGY-ZDUSSCGKSA-N 1 0 347.390 3.159 20 5 EGBDRO C[C@@H]([NH2+]C[C@H]1CN(c2ccccc2)CCO1)c1ccc([N+](=O)[O-])cc1 ZINC000932179010 1329791412 /nfs/dbraw/zinc/79/14/12/1329791412.db2.gz VITSWRGUQQHFFR-BEFAXECRSA-N 1 0 341.411 3.151 20 5 EGBDRO C[C@@H]([NH2+]CC(=O)N(C)[C@H](C)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000932184147 1329791924 /nfs/dbraw/zinc/79/19/24/1329791924.db2.gz ZSKORHHBBHIXJU-HUUCEWRRSA-N 1 0 341.411 3.465 20 5 EGBDRO C[C@H]([NH2+][C@H](c1ccccn1)C1CC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000932375891 1329809550 /nfs/dbraw/zinc/80/95/50/1329809550.db2.gz AGUURYNOLAHKOV-SJCJKPOMSA-N 1 0 340.383 3.058 20 5 EGBDRO CC(C)C[N@@H+](Cc1ccccn1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000932448775 1329815917 /nfs/dbraw/zinc/81/59/17/1329815917.db2.gz HCWWAVQNUZJYLQ-SFHVURJKSA-N 1 0 329.400 3.181 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](CC(C)C)[NH+](C)C ZINC000932692640 1329833946 /nfs/dbraw/zinc/83/39/46/1329833946.db2.gz ZWEBQNCYPFCRSR-ZDUSSCGKSA-N 1 0 339.461 3.023 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000935662739 1330069105 /nfs/dbraw/zinc/06/91/05/1330069105.db2.gz JHGCNHAJIBCOCY-CQSZACIVSA-N 1 0 349.456 3.063 20 5 EGBDRO CC(=O)Nc1ccc(C[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])cc1 ZINC000866220681 1330080021 /nfs/dbraw/zinc/08/00/21/1330080021.db2.gz JCCXRELARORRKN-LBPRGKRZSA-N 1 0 345.374 3.413 20 5 EGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCN1Cc2ccccc2C1 ZINC000866246157 1330084716 /nfs/dbraw/zinc/08/47/16/1330084716.db2.gz HDBLWJRUTKRKFG-AWEZNQCLSA-N 1 0 343.402 3.270 20 5 EGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H](CCO)c1ccccc1 ZINC000866271765 1330088755 /nfs/dbraw/zinc/08/87/55/1330088755.db2.gz PUKJUXRZDFQCMW-SUMWQHHRSA-N 1 0 332.375 3.378 20 5 EGBDRO C[C@H](CCO)C1(C[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CCC1 ZINC000866316299 1330095565 /nfs/dbraw/zinc/09/55/65/1330095565.db2.gz XYLVEKJREHAQKD-KGLIPLIRSA-N 1 0 338.423 3.443 20 5 EGBDRO CC(C)[C@H](C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-])c1ccnn1C ZINC000866345691 1330099448 /nfs/dbraw/zinc/09/94/48/1330099448.db2.gz BLZAZEPFWDUDGN-BBRMVZONSA-N 1 0 348.422 3.428 20 5 EGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1nnc(C2CC2)s1 ZINC000866374183 1330103299 /nfs/dbraw/zinc/10/32/99/1330103299.db2.gz DUUPFVRVLHCKNW-VIFPVBQESA-N 1 0 336.392 3.184 20 5 EGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H](O)[C@H](C)c1ccccc1 ZINC000866394736 1330105979 /nfs/dbraw/zinc/10/59/79/1330105979.db2.gz YVEYHDXZXPMNJA-PJIJBLCYSA-N 1 0 346.402 3.419 20 5 EGBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1SC ZINC000936028389 1330106866 /nfs/dbraw/zinc/10/68/66/1330106866.db2.gz SITQMLNWELFZAT-GFCCVEGCSA-N 1 0 339.461 3.167 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H](C)CC1(C)OCCO1 ZINC000866427023 1330110730 /nfs/dbraw/zinc/11/07/30/1330110730.db2.gz GWOPISHZQNTVCN-QWHCGFSZSA-N 1 0 338.404 3.043 20 5 EGBDRO CCCC(=O)N1CC[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@H]2CC1 ZINC000946439908 1332827124 /nfs/dbraw/zinc/82/71/24/1332827124.db2.gz WQHQZXZZXYVVJU-CALCHBBNSA-N 1 0 345.443 3.065 20 5 EGBDRO CCC(=O)N1CCC([N@@H+](Cc2cccc([N+](=O)[O-])c2)CC2CC2)CC1 ZINC001039480034 1345093771 /nfs/dbraw/zinc/09/37/71/1345093771.db2.gz CMKCVMIIWSMEGK-UHFFFAOYSA-N 1 0 345.443 3.208 20 5 EGBDRO Cc1cc(Br)c(O[C@H]2CC[C@H](C)[NH2+]C2)cc1[N+](=O)[O-] ZINC001218403962 1373607747 /nfs/dbraw/zinc/60/77/47/1373607747.db2.gz YNRSQRDNQNXHRH-UWVGGRQHSA-N 1 0 329.194 3.185 20 5 EGBDRO CC(C)(c1nc([C@H]2C[NH+]3CCC2CC3)no1)c1ccc([N+](=O)[O-])cc1 ZINC001323914413 1387495290 /nfs/dbraw/zinc/49/52/90/1387495290.db2.gz HVQNWHKODIBYTN-HNNXBMFYSA-N 1 0 342.399 3.113 20 5 EGBDRO Cc1n[nH]c(=O)c(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)c1C ZINC001324873215 1387799195 /nfs/dbraw/zinc/79/91/95/1387799195.db2.gz BTOGNLFXCSMHIQ-INIZCTEOSA-N 1 0 342.399 3.219 20 5 EGBDRO CC[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC001325870298 1388057727 /nfs/dbraw/zinc/05/77/27/1388057727.db2.gz CYROJUOLVRNLHH-CVEARBPZSA-N 1 0 348.374 3.215 20 5 EGBDRO CC[NH+]1CCN(c2ccc(Nc3ccc([N+](=O)[O-])nc3)cc2F)CC1 ZINC001203574909 1370176086 /nfs/dbraw/zinc/17/60/86/1370176086.db2.gz RCUWOPQSJDIPCO-UHFFFAOYSA-N 1 0 345.378 3.014 20 5 EGBDRO CC(C)NC(=O)c1ccc(N[C@H]2CCCC[C@H]2[NH+](C)C)c([N+](=O)[O-])c1 ZINC001116028833 1370822400 /nfs/dbraw/zinc/82/24/00/1370822400.db2.gz VMPRELFPHFKHMF-GOEBONIOSA-N 1 0 348.447 3.018 20 5 EGBDRO Cc1cncc([N+](=O)[O-])c1N1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001117943495 1371110689 /nfs/dbraw/zinc/11/06/89/1371110689.db2.gz WAFMKTBVBDSPBB-HNNXBMFYSA-N 1 0 326.400 3.009 20 5 EGBDRO Cc1ccc([C@@H](C)NC(=O)c2ccc3c(c2)C[NH2+]CC3)cc1[N+](=O)[O-] ZINC001118135404 1371135903 /nfs/dbraw/zinc/13/59/03/1371135903.db2.gz GOOMZQDUKKZUNB-CYBMUJFWSA-N 1 0 339.395 3.040 20 5 EGBDRO C[C@@H]1CC[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)[C@H](n2cncn2)C1 ZINC001326284593 1388142045 /nfs/dbraw/zinc/14/20/45/1388142045.db2.gz ZVIDTPAIZKFADZ-HFBAOOFYSA-N 1 0 349.822 3.359 20 5 EGBDRO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2-c1ccnnc1 ZINC001209960136 1372242104 /nfs/dbraw/zinc/24/21/04/1372242104.db2.gz LAMUKGOITNWGSE-UHFFFAOYSA-N 1 0 331.379 3.034 20 5 EGBDRO Nc1cn(-c2cccc([N+](=O)[O-])c2F)cc(-c2cccc(F)c2)c1=[NH2+] ZINC001210379957 1372337747 /nfs/dbraw/zinc/33/77/47/1372337747.db2.gz AIIBAFCYCDEQHD-UHFFFAOYSA-N 1 0 342.305 3.392 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1Nc1ccc(OCC[NH+](C)C)cc1 ZINC001210447122 1372355657 /nfs/dbraw/zinc/35/56/57/1372355657.db2.gz XOMVBBMPVLFQLK-UHFFFAOYSA-N 1 0 331.372 3.287 20 5 EGBDRO Cc1cc(NC(=O)NCC2CC[NH+](CC3CC3)CC2)cc([N+](=O)[O-])c1 ZINC001123361479 1372442565 /nfs/dbraw/zinc/44/25/65/1372442565.db2.gz XFUJJMUKZVSFEA-UHFFFAOYSA-N 1 0 346.431 3.147 20 5 EGBDRO Cc1cccc2c1[nH+]c(N)n2-c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC001211290287 1372521757 /nfs/dbraw/zinc/52/17/57/1372521757.db2.gz AXPLTZWLMBHQGP-UHFFFAOYSA-N 1 0 327.300 3.041 20 5 EGBDRO [NH3+][C@@H]1COC[C@@H]1c1nc(-c2cc3ccccc3c3ccccc23)no1 ZINC001212133536 1372662738 /nfs/dbraw/zinc/66/27/38/1372662738.db2.gz RSEZTZIDFDSCEG-ZWKOTPCHSA-N 1 0 331.375 3.484 20 5 EGBDRO CC(C)(C(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1)C1CCCC1 ZINC001129624114 1373403433 /nfs/dbraw/zinc/40/34/33/1373403433.db2.gz HNAGQYIRHPLANH-UHFFFAOYSA-N 1 0 339.461 3.079 20 5 EGBDRO CC1(C)[NH2+][C@H](CO[C@H](c2ccccc2)c2ccccc2[N+](=O)[O-])CO1 ZINC001217929987 1373513333 /nfs/dbraw/zinc/51/33/33/1373513333.db2.gz MGTKFJUJBSYKIX-CRAIPNDOSA-N 1 0 342.395 3.425 20 5 EGBDRO Cc1cc(Br)cc([N+](=O)[O-])c1O[C@@H]1CCC[NH2+]C[C@@H]1F ZINC001217952563 1373517522 /nfs/dbraw/zinc/51/75/22/1373517522.db2.gz XETDCBNMELIIFR-CMPLNLGQSA-N 1 0 347.184 3.135 20 5 EGBDRO C[C@@H]1C[NH2+]CCC[C@@H]1Oc1cc([N+](=O)[O-])cc(F)c1Br ZINC001217987755 1373527437 /nfs/dbraw/zinc/52/74/37/1373527437.db2.gz BHMGBNOSZYBTHS-KCJUWKMLSA-N 1 0 347.184 3.263 20 5 EGBDRO O=c1c2ccccc2oc2cc(O[C@H]3CC[NH2+]CC[C@@H]3F)ccc12 ZINC001218013805 1373537625 /nfs/dbraw/zinc/53/76/25/1373537625.db2.gz CTTYHZNFZRFWCW-RDJZCZTQSA-N 1 0 327.355 3.415 20 5 EGBDRO C[C@@H]1CC[NH2+]CC[C@@H]1Oc1c(F)cc(Br)cc1[N+](=O)[O-] ZINC001218026495 1373541489 /nfs/dbraw/zinc/54/14/89/1373541489.db2.gz ZJDRTLOAKOXCGQ-PELKAZGASA-N 1 0 347.184 3.263 20 5 EGBDRO C[C@@H]1C[NH2+]C[C@H]1Oc1cc(C(F)(F)F)c2cc([N+](=O)[O-])ccc2n1 ZINC001218036347 1373544978 /nfs/dbraw/zinc/54/49/78/1373544978.db2.gz QXMBCTFRUDTAIK-AMIZOPFISA-N 1 0 341.289 3.149 20 5 EGBDRO O=[N+]([O-])c1cc([N+](=O)[O-])c(O[C@@H]2CC[C@@]23CC[NH2+]C3)c2ccccc21 ZINC001218120029 1373564464 /nfs/dbraw/zinc/56/44/64/1373564464.db2.gz SAFOIBSFAUOTQC-WBVHZDCISA-N 1 0 343.339 3.177 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1ccc(O[C@H]2CC[C@@H]3[NH2+]CCO[C@@H]32)cc1 ZINC001218120458 1373564753 /nfs/dbraw/zinc/56/47/53/1373564753.db2.gz ROVXJMOVPJMYFW-WDSOQIARSA-N 1 0 340.379 3.160 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCCCC2)cc1O[C@@H]1CCC[C@@H]2C[NH2+]C[C@@H]21 ZINC001218147632 1373570023 /nfs/dbraw/zinc/57/00/23/1373570023.db2.gz OKCPJGAQMJKLTQ-UWWQBHOKSA-N 1 0 345.443 3.352 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2ccc(O[C@H]3CC[C@@H]4[NH2+]CCO[C@H]43)cc2)c1 ZINC001218150306 1373570076 /nfs/dbraw/zinc/57/00/76/1373570076.db2.gz DOJDDJUDAOHKDP-GBESFXJTSA-N 1 0 340.379 3.160 20 5 EGBDRO O=[N+]([O-])c1cc(Br)ccc1OC1CCC2(C[NH2+]C2)CC1 ZINC001218262391 1373585481 /nfs/dbraw/zinc/58/54/81/1373585481.db2.gz ISBLZNULLIBPBK-UHFFFAOYSA-N 1 0 341.205 3.268 20 5 EGBDRO CC1(C)C[NH2+]CC[C@@H]1Oc1ccc(Br)c([N+](=O)[O-])c1 ZINC001218312477 1373593803 /nfs/dbraw/zinc/59/38/03/1373593803.db2.gz CQVJFFVSLQHEED-LBPRGKRZSA-N 1 0 329.194 3.124 20 5 EGBDRO C[C@@H](Oc1cccc(CN2CC[NH2+]CC2)c1)c1cccc([N+](=O)[O-])c1 ZINC001218342926 1373600452 /nfs/dbraw/zinc/60/04/52/1373600452.db2.gz ALUNQJZSKJIVQM-OAHLLOKOSA-N 1 0 341.411 3.140 20 5 EGBDRO C[C@H](Oc1ccc(CN2CC[NH2+]CC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC001218342939 1373600665 /nfs/dbraw/zinc/60/06/65/1373600665.db2.gz AYYLRYUQYXBAJQ-HNNXBMFYSA-N 1 0 341.411 3.140 20 5 EGBDRO C[C@H](Oc1cccc(N2CC[NH2+]CC2)c1)c1cccc([N+](=O)[O-])c1 ZINC001218344030 1373600761 /nfs/dbraw/zinc/60/07/61/1373600761.db2.gz OLCDXDWKQVOJFB-AWEZNQCLSA-N 1 0 327.384 3.144 20 5 EGBDRO O=[N+]([O-])c1cc(O[C@H]2C[NH2+]CCC23CC3)c(Br)cc1F ZINC001218400236 1373607165 /nfs/dbraw/zinc/60/71/65/1373607165.db2.gz SSXUYMRBZDVCOL-LBPRGKRZSA-N 1 0 345.168 3.017 20 5 EGBDRO O=[N+]([O-])c1ccc(F)c(Br)c1O[C@H]1C[NH2+]CCC12CC2 ZINC001218403884 1373607896 /nfs/dbraw/zinc/60/78/96/1373607896.db2.gz LZISOCGWGZOAIC-JTQLQIEISA-N 1 0 345.168 3.017 20 5 EGBDRO C[C@H]1C[NH2+]CC[C@H]1Oc1c([N+](=O)[O-])cc(C(C)(C)C)cc1[N+](=O)[O-] ZINC001218424182 1373610963 /nfs/dbraw/zinc/61/09/63/1373610963.db2.gz MTAFRJDLJCBECC-IINYFYTJSA-N 1 0 337.376 3.177 20 5 EGBDRO CC(C)(C)c1cc([N+](=O)[O-])c(O[C@@H]2CC[C@@H]3C[NH2+]C[C@H]23)c([N+](=O)[O-])c1 ZINC001218464329 1373619174 /nfs/dbraw/zinc/61/91/74/1373619174.db2.gz GPXBHRVMXLCOBH-IFUGULHKSA-N 1 0 349.387 3.177 20 5 EGBDRO O=[N+]([O-])c1ccc2nc(O[C@@H]3C[NH2+]Cc4ccccc43)sc2c1 ZINC001218489805 1373624806 /nfs/dbraw/zinc/62/48/06/1373624806.db2.gz VXTAWVVYMFOWMY-CQSZACIVSA-N 1 0 327.365 3.428 20 5 EGBDRO [NH3+]Cc1ccc(NC(=O)c2cccc3nc4ccccc4nc32)cc1 ZINC001219355225 1373703340 /nfs/dbraw/zinc/70/33/40/1373703340.db2.gz QZCHMMMWUJTZGT-UHFFFAOYSA-N 1 0 328.375 3.494 20 5 EGBDRO C[C@H](C[N+](C)(C)C)Oc1ccc2c(c1)oc(=O)cc2C(F)(F)F ZINC001226003694 1375189176 /nfs/dbraw/zinc/18/91/76/1375189176.db2.gz UGISDZHQUZNLIL-SNVBAGLBSA-N 1 0 330.326 3.285 20 5 EGBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](C3CC3)CC2)c(Br)c1 ZINC001226041668 1375194209 /nfs/dbraw/zinc/19/42/09/1375194209.db2.gz WKJGAEWHNKWQPF-UHFFFAOYSA-N 1 0 341.205 3.363 20 5 EGBDRO O=[N+]([O-])c1cnc(O[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(Cl)c1 ZINC001226251628 1375227455 /nfs/dbraw/zinc/22/74/55/1375227455.db2.gz CAXPTNRDOOTLKH-CQSZACIVSA-N 1 0 333.775 3.297 20 5 EGBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cc([N+](=O)[O-])ccc1Br)C2 ZINC001226582604 1375285419 /nfs/dbraw/zinc/28/54/19/1375285419.db2.gz NBJWRRVAIQPAIM-IAZYJMLFSA-N 1 0 341.205 3.361 20 5 EGBDRO C[C@H](C[N+](C)(C)C)Oc1cc(C(F)(F)F)nn1-c1ccccc1 ZINC001226914455 1375355966 /nfs/dbraw/zinc/35/59/66/1375355966.db2.gz ZDBVMYBEIZQUNP-GFCCVEGCSA-N 1 0 328.358 3.365 20 5 EGBDRO Cc1ccc(O[C@H]2COCC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC001226952776 1375369248 /nfs/dbraw/zinc/36/92/48/1375369248.db2.gz JIZVWXNMQPWYSZ-GOSISDBHSA-N 1 0 342.395 3.183 20 5 EGBDRO COCCC[NH+]1CCC(Oc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 ZINC001227158745 1375400188 /nfs/dbraw/zinc/40/01/88/1375400188.db2.gz XECUKBQTNHNZCS-UHFFFAOYSA-N 1 0 346.786 3.267 20 5 EGBDRO C[NH+]1CCC2(CC[C@@H](COc3ccc(Cl)cc3[N+](=O)[O-])O2)CC1 ZINC001229376485 1375821830 /nfs/dbraw/zinc/82/18/30/1375821830.db2.gz JBHAJZQWTJFXNR-ZDUSSCGKSA-N 1 0 340.807 3.270 20 5 EGBDRO Cc1cc(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])ccc1Cl ZINC001133248765 1375867927 /nfs/dbraw/zinc/86/79/27/1375867927.db2.gz NFYSCYAFODIOOD-UHFFFAOYSA-N 1 0 347.802 3.076 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1C[C@@H](C)Oc1cccc([C@@H](C)[NH+](C)C)c1 ZINC001229626892 1375869161 /nfs/dbraw/zinc/86/91/61/1375869161.db2.gz NHVUXFCBUDMPBX-CHWSQXEVSA-N 1 0 332.404 3.190 20 5 EGBDRO Cc1cc(=O)oc2c1ccc(OC1CCC([NH+](C)C)CC1)c2[N+](=O)[O-] ZINC001229943922 1375921828 /nfs/dbraw/zinc/92/18/28/1375921828.db2.gz OGKAKYQPHRRUIU-UHFFFAOYSA-N 1 0 346.383 3.261 20 5 EGBDRO C[C@H](C[N+](C)(C)C)Oc1cc(C(=O)OC(C)(C)C)ccc1[N+](=O)[O-] ZINC001233531281 1376662433 /nfs/dbraw/zinc/66/24/33/1376662433.db2.gz MNWLSVJQUBTZIR-GFCCVEGCSA-N 1 0 339.412 3.024 20 5 EGBDRO CC(=O)c1cc(F)c(Br)cc1O[C@@H](C)C[N+](C)(C)C ZINC001233561579 1376670993 /nfs/dbraw/zinc/67/09/93/1376670993.db2.gz MSEKEHGSOAQRKP-VIFPVBQESA-N 1 0 333.221 3.264 20 5 EGBDRO Cc1ccc(Cl)cc1C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001135498974 1377119335 /nfs/dbraw/zinc/11/93/35/1377119335.db2.gz GARWJMMESJUESX-UHFFFAOYSA-N 1 0 347.802 3.076 20 5 EGBDRO C[N@H+](CCCCNc1ncnc2c(Cl)cc([N+](=O)[O-])cc12)C1CC1 ZINC001261656201 1377125485 /nfs/dbraw/zinc/12/54/85/1377125485.db2.gz SHCPNZBETXPACV-UHFFFAOYSA-N 1 0 349.822 3.478 20 5 EGBDRO C[C@H]1C[C@H](Nc2ncnc3c(Cl)cc([N+](=O)[O-])cc23)CC[N@@H+]1C ZINC001327687697 1388583255 /nfs/dbraw/zinc/58/32/55/1388583255.db2.gz JRAWAALIODQAHR-VHSXEESVSA-N 1 0 335.795 3.086 20 5 EGBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cccc2ccccc21 ZINC001149711906 1379434897 /nfs/dbraw/zinc/43/48/97/1379434897.db2.gz NYCBRIHKNKHPEE-UHFFFAOYSA-N 1 0 349.390 3.268 20 5 EGBDRO C[NH+](C)CC(C)(C)CNc1ncnc2c(Cl)cc([N+](=O)[O-])cc12 ZINC001327958520 1388633390 /nfs/dbraw/zinc/63/33/90/1388633390.db2.gz VVFHTHBBXRYHAW-UHFFFAOYSA-N 1 0 337.811 3.191 20 5 EGBDRO C[N@H+](C1CCCC1)C(C)(C)C(=O)OCc1ccc(F)cc1[N+](=O)[O-] ZINC001327964189 1388634539 /nfs/dbraw/zinc/63/45/39/1388634539.db2.gz UAMYQQHZHYWTIY-UHFFFAOYSA-N 1 0 338.379 3.430 20 5 EGBDRO C[C@H]1C[NH2+]CCC[C@@H]1CNc1cc([N+](=O)[O-])cc2c(Cl)ncnc12 ZINC001155029839 1380394379 /nfs/dbraw/zinc/39/43/79/1380394379.db2.gz NOOLWMSZBUXOOK-WDEREUQCSA-N 1 0 349.822 3.239 20 5 EGBDRO O=[N+]([O-])c1ccc2c(ccnc2NCc2ccc3c(c2)CC[NH2+]C3)c1 ZINC001155272861 1380431601 /nfs/dbraw/zinc/43/16/01/1380431601.db2.gz XYRPXDGKJJZKNC-UHFFFAOYSA-N 1 0 334.379 3.401 20 5 EGBDRO Cc1cc(N2C[C@H]([NH3+])Cc3ccccc32)nc2ccc([N+](=O)[O-])cc12 ZINC001155298742 1380434767 /nfs/dbraw/zinc/43/47/67/1380434767.db2.gz WYEQCVICHLIARN-CQSZACIVSA-N 1 0 334.379 3.473 20 5 EGBDRO Cc1ccc2c(c1)[C@H](Nc1cc([N+](=O)[O-])ccn1)CC21CC[NH2+]CC1 ZINC001155431576 1380452120 /nfs/dbraw/zinc/45/21/20/1380452120.db2.gz UYHVZTGNJUXZRB-QGZVFWFLSA-N 1 0 338.411 3.476 20 5 EGBDRO O=[N+]([O-])c1c(Cl)nc(Cl)nc1N[C@H]1C[NH2+]Cc2ccsc21 ZINC001155558868 1380468025 /nfs/dbraw/zinc/46/80/25/1380468025.db2.gz IITOJRVDVKCSDG-LURJTMIESA-N 1 0 346.199 3.010 20 5 EGBDRO COc1cccc(N(c2ncc(F)cc2[N+](=O)[O-])C2CC[NH2+]CC2)c1 ZINC001155605102 1380472571 /nfs/dbraw/zinc/47/25/71/1380472571.db2.gz SLYRYSFWFLSMHK-UHFFFAOYSA-N 1 0 346.362 3.028 20 5 EGBDRO C[C@H](C[NH+](C)C)NC(=O)c1cc(=S)cc2[nH]c3ccccc3nc1-2 ZINC001155996935 1380511953 /nfs/dbraw/zinc/51/19/53/1380511953.db2.gz KLKKUCMRZXDONN-LLVKDONJSA-N 1 0 340.452 3.077 20 5 EGBDRO C[N@@H+]1CCC[C@@H](CCNC(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)C1 ZINC001156381961 1380568320 /nfs/dbraw/zinc/56/83/20/1380568320.db2.gz YCUMZWKOLANTCR-JTQLQIEISA-N 1 0 348.781 3.014 20 5 EGBDRO Cc1cc(-n2nc(C[NH3+])c3ccccc32)nc2ccc([N+](=O)[O-])cc12 ZINC001156855396 1380695738 /nfs/dbraw/zinc/69/57/38/1380695738.db2.gz HOESZTIWHTZIJC-UHFFFAOYSA-N 1 0 333.351 3.249 20 5 EGBDRO CCCC[NH+](CCCC)CCNc1nc(Cl)ncc1[N+](=O)[O-] ZINC001156904914 1380722806 /nfs/dbraw/zinc/72/28/06/1380722806.db2.gz JRAPQNKLKFSCCF-UHFFFAOYSA-N 1 0 329.832 3.352 20 5 EGBDRO Cc1nc(N)ccc1CNc1cc([N+](=O)[O-])cc2c(Cl)ncnc12 ZINC001156986428 1380743811 /nfs/dbraw/zinc/74/38/11/1380743811.db2.gz WIIMFMMOHJMENC-UHFFFAOYSA-N 1 0 344.762 3.089 20 5 EGBDRO CC(C)[N@H+](C)[C@@H]1CCN(C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)C1 ZINC001157002468 1380749627 /nfs/dbraw/zinc/74/96/27/1380749627.db2.gz YSUYZFGFKUTURI-LLVKDONJSA-N 1 0 348.781 3.107 20 5 EGBDRO C[N@@H+]1CCC[C@@H]2CN(c3ccc4c(ccc(Cl)c4[N+](=O)[O-])n3)C[C@H]21 ZINC001157266831 1380827112 /nfs/dbraw/zinc/82/71/12/1380827112.db2.gz XVFRUPREEJBQGO-IAQYHMDHSA-N 1 0 346.818 3.327 20 5 EGBDRO Cc1ccnc(-n2nc(C3CC[NH2+]CC3)c3ccccc32)c1[N+](=O)[O-] ZINC001157377831 1380858454 /nfs/dbraw/zinc/85/84/54/1380858454.db2.gz SRYGFQNFUBBYKE-UHFFFAOYSA-N 1 0 337.383 3.104 20 5 EGBDRO CN(CC[N@H+](C)Cc1ccccc1)c1cc(Cl)ncc1[N+](=O)[O-] ZINC001157553569 1380962970 /nfs/dbraw/zinc/96/29/70/1380962970.db2.gz BNJFNZQYHWINTM-UHFFFAOYSA-N 1 0 334.807 3.211 20 5 EGBDRO Cc1ccc(Nc2cccc(CN3CC[NH2+]CC3)c2)c([N+](=O)[O-])c1 ZINC001159636990 1381855570 /nfs/dbraw/zinc/85/55/70/1381855570.db2.gz HVZOMUCCJRNJCU-UHFFFAOYSA-N 1 0 326.400 3.052 20 5 EGBDRO Cc1c(C)c(-n2c3ccccc3c3c2C[C@H]([NH3+])CC3)ncc1[N+](=O)[O-] ZINC001159948957 1381946901 /nfs/dbraw/zinc/94/69/01/1381946901.db2.gz LZGWRVFSEDYRDV-CYBMUJFWSA-N 1 0 336.395 3.367 20 5 EGBDRO [NH3+][C@@H]1CCCN(c2ccc(Nc3cc(F)cc([N+](=O)[O-])c3)cc2)C1 ZINC001159987135 1381960066 /nfs/dbraw/zinc/96/00/66/1381960066.db2.gz UJBJXMOGRNBZAL-CYBMUJFWSA-N 1 0 330.363 3.405 20 5 EGBDRO Nc1cc(F)ccc1N(CC1CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC001160092417 1381994938 /nfs/dbraw/zinc/99/49/38/1381994938.db2.gz RGYPJCZXOURNEZ-UHFFFAOYSA-N 1 0 344.390 3.454 20 5 EGBDRO Nc1ccc(Nc2cccc(O[C@H]3CCC[NH2+]C3)c2)cc1[N+](=O)[O-] ZINC001160219871 1382037527 /nfs/dbraw/zinc/03/75/27/1382037527.db2.gz MRQNYVQPTXNKRW-HNNXBMFYSA-N 1 0 328.372 3.051 20 5 EGBDRO C[C@@H](C[NH3+])CN(Cc1ccccc1)c1nccc(Cl)c1[N+](=O)[O-] ZINC001160660780 1382163617 /nfs/dbraw/zinc/16/36/17/1382163617.db2.gz PZWFZJCYAQFEBV-LBPRGKRZSA-N 1 0 334.807 3.245 20 5 EGBDRO CC(C)(C)C[NH+]1CCC(Nc2cnc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC001161207742 1382341344 /nfs/dbraw/zinc/34/13/44/1382341344.db2.gz XCJNPGBGPMFYEE-UHFFFAOYSA-N 1 0 343.431 3.460 20 5 EGBDRO C[N@@H+]1CCC[C@](C)(Nc2ccc(-c3ccc(F)c([N+](=O)[O-])c3)nn2)C1 ZINC001162340762 1382734810 /nfs/dbraw/zinc/73/48/10/1382734810.db2.gz WXMRHRJQMZMQGG-KRWDZBQOSA-N 1 0 345.378 3.087 20 5 EGBDRO C[C@@H]1C[NH2+]CCC[C@H]1CNc1nc2cc([N+](=O)[O-])ccc2nc1Cl ZINC001162459262 1382762419 /nfs/dbraw/zinc/76/24/19/1382762419.db2.gz COGKCMKLCJROBL-MNOVXSKESA-N 1 0 349.822 3.239 20 5 EGBDRO Cc1c(NC[C@H]2CCC3(CC[NH2+]CC3)CO2)cc(F)cc1[N+](=O)[O-] ZINC001162965682 1382929690 /nfs/dbraw/zinc/92/96/90/1382929690.db2.gz LNOKFUKRUKIXAC-CQSZACIVSA-N 1 0 337.395 3.003 20 5 EGBDRO [NH3+]Cc1ccc(-c2cn(-c3ccc4cccc([N+](=O)[O-])c4n3)cn2)cc1 ZINC001163218541 1382995401 /nfs/dbraw/zinc/99/54/01/1382995401.db2.gz OOSRGLWVPILNQN-UHFFFAOYSA-N 1 0 345.362 3.454 20 5 EGBDRO O=[N+]([O-])c1ccc(NC[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)c2ccccc21 ZINC001163290351 1383013365 /nfs/dbraw/zinc/01/33/65/1383013365.db2.gz IHMTZGLNXYTCAV-IFXJQAMLSA-N 1 0 341.411 3.319 20 5 EGBDRO O=[N+]([O-])c1cnc(NC2CC[NH+](C[C@@H]3CC=CCC3)CC2)c(F)c1 ZINC001163315706 1383019512 /nfs/dbraw/zinc/01/95/12/1383019512.db2.gz QPQGCMAOERWZSZ-CYBMUJFWSA-N 1 0 334.395 3.362 20 5 EGBDRO COc1cnc(NC2CC[NH+](C[C@H]3CC=CCC3)CC2)c([N+](=O)[O-])c1 ZINC001163314401 1383019686 /nfs/dbraw/zinc/01/96/86/1383019686.db2.gz FHPZZANLPVPJMB-AWEZNQCLSA-N 1 0 346.431 3.231 20 5 EGBDRO CC(C)[N@@H+]1CC[C@H](Nc2ncnc3ccc([N+](=O)[O-])cc32)[C@H](C)C1 ZINC001163360549 1383030477 /nfs/dbraw/zinc/03/04/77/1383030477.db2.gz DWPMWQOLBIKVMW-DOMZBBRYSA-N 1 0 329.404 3.069 20 5 EGBDRO Cc1cc(Cl)nc(N[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2C)c1[N+](=O)[O-] ZINC001163361601 1383031129 /nfs/dbraw/zinc/03/11/29/1383031129.db2.gz JLZXNHRVTPWYCU-NWDGAFQWSA-N 1 0 326.828 3.482 20 5 EGBDRO CC(C)(C(=O)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1)C1CCC1 ZINC001163424767 1383049589 /nfs/dbraw/zinc/04/95/89/1383049589.db2.gz JPRDJWHBGCENNA-UHFFFAOYSA-N 1 0 339.461 3.079 20 5 EGBDRO CCC(CC)C(=O)NCCC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001163510266 1383069852 /nfs/dbraw/zinc/06/98/52/1383069852.db2.gz GFPIVSKIEVKAFM-UHFFFAOYSA-N 1 0 347.459 3.407 20 5 EGBDRO O=C(C=C1CCC1)NCCC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001164036468 1383149168 /nfs/dbraw/zinc/14/91/68/1383149168.db2.gz NAOJWOMAUAOQAM-UHFFFAOYSA-N 1 0 343.427 3.081 20 5 EGBDRO CC(C)N(CCC[NH3+])c1c(Br)cc(F)cc1[N+](=O)[O-] ZINC001164122754 1383158348 /nfs/dbraw/zinc/15/83/48/1383158348.db2.gz NUOBANTYQWSSRL-UHFFFAOYSA-N 1 0 334.189 3.060 20 5 EGBDRO C[C@]1(C[NH3+])CCCN(c2nc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC001164246541 1383170722 /nfs/dbraw/zinc/17/07/22/1383170722.db2.gz BFAQUCUAEYHZMB-ZDUSSCGKSA-N 1 0 333.219 3.252 20 5 EGBDRO C[N@@H+]1CCC[C@@H](CCNc2nc(C3CC3)nc(Cl)c2[N+](=O)[O-])C1 ZINC001165259862 1383259789 /nfs/dbraw/zinc/25/97/89/1383259789.db2.gz AUQWWXGAGREHMR-JTQLQIEISA-N 1 0 339.827 3.059 20 5 EGBDRO CN(C)c1ccc(NCC2C[NH+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001165469806 1383299655 /nfs/dbraw/zinc/29/96/55/1383299655.db2.gz RGAVSMAXJRKSLQ-UHFFFAOYSA-N 1 0 340.427 3.205 20 5 EGBDRO CC1(C(=O)NCCC[NH2+]Cc2ccccc2[N+](=O)[O-])CCCCC1 ZINC001165759967 1383341068 /nfs/dbraw/zinc/34/10/68/1383341068.db2.gz BKGMHCNMSBZERO-UHFFFAOYSA-N 1 0 333.432 3.161 20 5 EGBDRO COc1nc(-n2c([C@@H]3CCC[NH2+]3)cc3ccccc32)ccc1[N+](=O)[O-] ZINC001166650735 1383452962 /nfs/dbraw/zinc/45/29/62/1383452962.db2.gz FZOODUWWWUXEJN-ZDUSSCGKSA-N 1 0 338.367 3.367 20 5 EGBDRO COc1nc(-n2c([C@H]3CCC[NH2+]3)cc3ccccc32)ccc1[N+](=O)[O-] ZINC001166650734 1383453098 /nfs/dbraw/zinc/45/30/98/1383453098.db2.gz FZOODUWWWUXEJN-CYBMUJFWSA-N 1 0 338.367 3.367 20 5 EGBDRO CCC(C)(C)C(=O)NCCC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001166935490 1383502032 /nfs/dbraw/zinc/50/20/32/1383502032.db2.gz UZCNYWZUDBHHHF-UHFFFAOYSA-N 1 0 347.459 3.407 20 5 EGBDRO CC(C)(C)c1cnc(-n2ccc3cc(C[NH3+])cnc32)c([N+](=O)[O-])c1 ZINC001167305053 1383590865 /nfs/dbraw/zinc/59/08/65/1383590865.db2.gz KUVQSQLSLFBWPQ-UHFFFAOYSA-N 1 0 325.372 3.085 20 5 EGBDRO CCCC[NH+](CCCC)CCNc1ncnc2[nH]cc([N+](=O)[O-])c21 ZINC001167733273 1383725371 /nfs/dbraw/zinc/72/53/71/1383725371.db2.gz QKDIQYSHZOCHGX-UHFFFAOYSA-N 1 0 334.424 3.132 20 5 EGBDRO COC(=O)c1ccc([N+](=O)[O-])cc1NCCC[N@@H+]1CCCC[C@@H]1C ZINC001167752050 1383730999 /nfs/dbraw/zinc/73/09/99/1383730999.db2.gz CCWYSTSORGVALV-ZDUSSCGKSA-N 1 0 335.404 3.058 20 5 EGBDRO CC1(Nc2c(Br)cc(F)cc2[N+](=O)[O-])CC[NH2+]CC1 ZINC001168187926 1383839189 /nfs/dbraw/zinc/83/91/89/1383839189.db2.gz XRLZAOSQPNJWIQ-UHFFFAOYSA-N 1 0 332.173 3.050 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H]2CCc3ccc(Br)cc32)C1 ZINC001168963940 1384072464 /nfs/dbraw/zinc/07/24/64/1384072464.db2.gz QSJXYVFLOOUOBZ-DGFSRKRXSA-N 1 0 339.233 3.471 20 5 EGBDRO COc1cccc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)c1C(F)(F)F ZINC001168978951 1384077335 /nfs/dbraw/zinc/07/73/35/1384077335.db2.gz VVSZFPRGDAVILB-CMPLNLGQSA-N 1 0 332.322 3.249 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H](CO)c2cc(Cl)cc(Cl)c2)C1 ZINC001168980260 1384077534 /nfs/dbraw/zinc/07/75/34/1384077534.db2.gz CMFNJEDJKBEQNO-IIMNLJJBSA-N 1 0 333.215 3.062 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2ccc(F)cc2Br)C1 ZINC001168984679 1384079707 /nfs/dbraw/zinc/07/97/07/1384079707.db2.gz PVHBSRSTJDKLRS-CABZTGNLSA-N 1 0 331.185 3.123 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CCc2ccc(OCC(F)(F)F)cc2)C1 ZINC001168988256 1384079978 /nfs/dbraw/zinc/07/99/78/1384079978.db2.gz PSYZMMKOQBIUSS-UONOGXRCSA-N 1 0 346.349 3.205 20 5 EGBDRO Cc1cc(F)cc(CN2CCC([NH2+][C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)c1 ZINC001168992952 1384081118 /nfs/dbraw/zinc/08/11/18/1384081118.db2.gz LSOCDLVHHBRXGX-BEFAXECRSA-N 1 0 349.450 3.134 20 5 EGBDRO Cc1ccc(F)cc1CN1CCC([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168997104 1384081602 /nfs/dbraw/zinc/08/16/02/1384081602.db2.gz XSZVTYUGSZEPRS-DNVCBOLYSA-N 1 0 349.450 3.134 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2cn(Cc3ccccc3Cl)cn2)C1 ZINC001168998089 1384083122 /nfs/dbraw/zinc/08/31/22/1384083122.db2.gz IBUINHIVDAKZRN-UKRRQHHQSA-N 1 0 348.834 3.120 20 5 EGBDRO [NH3+][C@@H]1CCc2c3cc(F)ccc3n([C@H]3CC[C@H](C[N+](=O)[O-])C3)c2C1 ZINC001168997110 1384083147 /nfs/dbraw/zinc/08/31/47/1384083147.db2.gz XTORCCPRJPKRAT-YUTCNCBUSA-N 1 0 331.391 3.214 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2csc(-c3ccc(F)cc3)n2)C1 ZINC001169001229 1384083729 /nfs/dbraw/zinc/08/37/29/1384083729.db2.gz DSDNBUVTQZAMTD-SMDDNHRTSA-N 1 0 335.404 3.484 20 5 EGBDRO CC[N@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001169039458 1384098158 /nfs/dbraw/zinc/09/81/58/1384098158.db2.gz PMRMOCKNNMAYIZ-QYZOEREBSA-N 1 0 331.460 3.028 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+]Cc2cnc(Cl)s2)c([N+](=O)[O-])c1 ZINC001170294859 1384284640 /nfs/dbraw/zinc/28/46/40/1384284640.db2.gz DMVQGEIJUUWVSV-VIFPVBQESA-N 1 0 341.820 3.434 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2cc(Cl)ccn2)c([N+](=O)[O-])c1 ZINC001170298545 1384284926 /nfs/dbraw/zinc/28/49/26/1384284926.db2.gz LXLMWDKAYBGBFQ-LLVKDONJSA-N 1 0 335.791 3.373 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2sc(C)nc2C)c([N+](=O)[O-])c1 ZINC001170306467 1384286999 /nfs/dbraw/zinc/28/69/99/1384286999.db2.gz VRZZLMUHYZENEY-SNVBAGLBSA-N 1 0 335.429 3.398 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+][C@H]2CCc3cccnc32)c([N+](=O)[O-])c1 ZINC001170305458 1384287115 /nfs/dbraw/zinc/28/71/15/1384287115.db2.gz LGCDUDXKVLCXNT-LRDDRELGSA-N 1 0 327.384 3.207 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+]CCc2cc(C)ccn2)c([N+](=O)[O-])c1 ZINC001170305804 1384287201 /nfs/dbraw/zinc/28/72/01/1384287201.db2.gz PWGCHSHALNSSPW-CQSZACIVSA-N 1 0 329.400 3.070 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+][C@H](C(C)=O)c2ccccc2)c([N+](=O)[O-])c1 ZINC001170307052 1384287403 /nfs/dbraw/zinc/28/74/03/1384287403.db2.gz CUZUXMYZEKILSL-ORAYPTAESA-N 1 0 342.395 3.454 20 5 EGBDRO COc1ccc(C[C@H](C)[N@@H+]2CC[C@H](c3ccncc3)C2)c([N+](=O)[O-])c1 ZINC001170345394 1384296051 /nfs/dbraw/zinc/29/60/51/1384296051.db2.gz JSBPBNGHNOQFEM-YOEHRIQHSA-N 1 0 341.411 3.419 20 5 EGBDRO COc1ccc(C[C@H](C)[N@@H+]2CC[C@@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC001170347103 1384296763 /nfs/dbraw/zinc/29/67/63/1384296763.db2.gz QFLJNVLOZLOIGJ-CMPLNLGQSA-N 1 0 332.322 3.419 20 5 EGBDRO CN1Cc2cc(NC3CC(C)(C)[NH+](C)C(C)(C)C3)cc([N+](=O)[O-])c2N1 ZINC001170453335 1384322722 /nfs/dbraw/zinc/32/27/22/1384322722.db2.gz IGNMRQPTZQNPJJ-UHFFFAOYSA-N 1 0 347.463 3.430 20 5 EGBDRO CC(C)CC(C)(C)C(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001170556661 1384342381 /nfs/dbraw/zinc/34/23/81/1384342381.db2.gz WRTPKCHFMYOJSD-UHFFFAOYSA-N 1 0 335.448 3.263 20 5 EGBDRO O=[N+]([O-])c1cc(F)cc(Br)c1NC[C@H]1CCCC[NH2+]1 ZINC001171329370 1384495802 /nfs/dbraw/zinc/49/58/02/1384495802.db2.gz JBHURXZGBLLGSQ-SECBINFHSA-N 1 0 332.173 3.050 20 5 EGBDRO O=C(NCc1ccccc1[N+](=O)[O-])c1ccc(C[NH+]2CCCCC2)o1 ZINC001335840724 1388949529 /nfs/dbraw/zinc/94/95/29/1388949529.db2.gz YFOTYHQKZLDJGU-UHFFFAOYSA-N 1 0 343.383 3.104 20 5 EGBDRO COC(=O)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172899578 1384874222 /nfs/dbraw/zinc/87/42/22/1384874222.db2.gz ARUZFCPKAHNXPK-BRWVUGGUSA-N 1 0 346.427 3.164 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1CCC[C@]3(CCOC3)C1)CC2 ZINC001172902440 1384874835 /nfs/dbraw/zinc/87/48/35/1384874835.db2.gz BMHAYJODAALIOL-HKUYNNGSSA-N 1 0 330.428 3.345 20 5 EGBDRO CCOc1cccc(C[NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)n1 ZINC001172903848 1384874862 /nfs/dbraw/zinc/87/48/62/1384874862.db2.gz JYFSDFLEWDZPEX-INIZCTEOSA-N 1 0 341.411 3.426 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]Cc1cccc3ccnn31)CC2 ZINC001172904640 1384875471 /nfs/dbraw/zinc/87/54/71/1384875471.db2.gz ZCCBCTJLKVVISH-MRXNPFEDSA-N 1 0 336.395 3.280 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH+]1CCN(C3CCC3)CC1)CC2 ZINC001172909636 1384876255 /nfs/dbraw/zinc/87/62/55/1384876255.db2.gz UJVQUYGIUZEVRI-SFHVURJKSA-N 1 0 329.444 3.012 20 5 EGBDRO COc1cc(CC[NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)ccn1 ZINC001172908872 1384876362 /nfs/dbraw/zinc/87/63/62/1384876362.db2.gz AXVWDIIXKXXGCA-KRWDZBQOSA-N 1 0 341.411 3.078 20 5 EGBDRO C[N@H+]([C@H]1CCC2(C1)OCCO2)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172914082 1384876839 /nfs/dbraw/zinc/87/68/39/1384876839.db2.gz ZAESDVKIVMAJCO-AEFFLSMTSA-N 1 0 346.427 3.070 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H](n1ccnc1[C@@H]1CCC[NH2+]C1)CC2 ZINC001172921784 1384879981 /nfs/dbraw/zinc/87/99/81/1384879981.db2.gz SZVWOGMJDVBBIG-IAGOWNOFSA-N 1 0 340.427 3.378 20 5 EGBDRO C[C@@H]1C[C@@H](F)C[N@@H+]1C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173010681 1384897918 /nfs/dbraw/zinc/89/79/18/1384897918.db2.gz XNTMFJMLVDHECJ-GHMZBOCLSA-N 1 0 343.349 3.274 20 5 EGBDRO COc1ccccc1C[NH2+][C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173174873 1384931315 /nfs/dbraw/zinc/93/13/15/1384931315.db2.gz FCYGUPUSKLQGQN-GFCCVEGCSA-N 1 0 348.374 3.472 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CC2CC(F)(F)C2)c1F ZINC001173176816 1384931554 /nfs/dbraw/zinc/93/15/54/1384931554.db2.gz LZQFPYUSAAODAA-VIFPVBQESA-N 1 0 332.322 3.308 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]Cc2cnc(C)s2)c1F ZINC001173175535 1384931596 /nfs/dbraw/zinc/93/15/96/1384931596.db2.gz PEGNZNIDWSMOLY-SECBINFHSA-N 1 0 339.392 3.228 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CCc3ncccc3C2)c1F ZINC001173189665 1384933085 /nfs/dbraw/zinc/93/30/85/1384933085.db2.gz LMEIWIGIPUVEAZ-LBPRGKRZSA-N 1 0 345.374 3.127 20 5 EGBDRO CCO[C@H]1CCC[N@@H+]([C@@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C1 ZINC001173190761 1384933337 /nfs/dbraw/zinc/93/33/37/1384933337.db2.gz WTOSIGKMHAZCPL-STQMWFEESA-N 1 0 340.395 3.174 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CCN1Cc1ccccc1 ZINC001173217800 1384937570 /nfs/dbraw/zinc/93/75/70/1384937570.db2.gz GFGMLXUDCKSIGD-UZLBHIALSA-N 1 0 339.439 3.390 20 5 EGBDRO CCOc1cc(C[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)ccc1O ZINC001173220904 1384938103 /nfs/dbraw/zinc/93/81/03/1384938103.db2.gz HZCCLCFMYXHHGK-ZDUSSCGKSA-N 1 0 330.384 3.420 20 5 EGBDRO CCC(CC)C(=O)N1CC[C@@H]([NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173222834 1384939154 /nfs/dbraw/zinc/93/91/54/1384939154.db2.gz ZKLXAOSYCLGNCS-RHSMWYFYSA-N 1 0 347.459 3.153 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](CO)Cc1cccc(Cl)c1 ZINC001173232849 1384941596 /nfs/dbraw/zinc/94/15/96/1384941596.db2.gz GGYDCJYBCYAODP-CXAGYDPISA-N 1 0 348.830 3.372 20 5 EGBDRO CCC(=O)N(CC)C1CC[NH+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173236904 1384942139 /nfs/dbraw/zinc/94/21/39/1384942139.db2.gz FZHQHDBOAABUTI-HNNXBMFYSA-N 1 0 347.459 3.249 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[C@H]([NH+]2CCCC2)[C@@H](F)C1 ZINC001173238447 1384942763 /nfs/dbraw/zinc/94/27/63/1384942763.db2.gz SPARSDNWYIKYBX-WBAXXEDZSA-N 1 0 335.423 3.034 20 5 EGBDRO C[NH+]1CCC(Oc2ccc(Nc3cc([N+](=O)[O-])ccc3F)nc2)CC1 ZINC001175734705 1385389736 /nfs/dbraw/zinc/38/97/36/1385389736.db2.gz ARLLUEOFHSMACY-UHFFFAOYSA-N 1 0 346.362 3.346 20 5 EGBDRO O=C(NCCCCCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1cc[nH]c1 ZINC001178551882 1386246746 /nfs/dbraw/zinc/24/67/46/1386246746.db2.gz RYIALIFNUKYDJB-UHFFFAOYSA-N 1 0 344.415 3.003 20 5 EGBDRO C[NH+](C)[C@@H]1CCCC[C@@H]1Nc1ncc([N+](=O)[O-])cc1Br ZINC001322473440 1387193055 /nfs/dbraw/zinc/19/30/55/1387193055.db2.gz XSPQZSCJWQQBAH-NWDGAFQWSA-N 1 0 343.225 3.037 20 5 EGBDRO CCC[N@@H+]1CCCC[C@H]1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC001329395919 1389095642 /nfs/dbraw/zinc/09/56/42/1389095642.db2.gz CZOIKWTYUXXBNX-SFHVURJKSA-N 1 0 347.459 3.298 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](C)c1nc(C(C)(C)C)cs1 ZINC001330654461 1389485289 /nfs/dbraw/zinc/48/52/89/1389485289.db2.gz JFICUIBUXJENAA-JTQLQIEISA-N 1 0 337.449 3.205 20 5 EGBDRO CC[NH+](CC)C[C@H]1CCN(c2ncc([N+](=O)[O-])c3ccccc32)C1 ZINC001331570388 1389806788 /nfs/dbraw/zinc/80/67/88/1389806788.db2.gz OETYODAYSKFHSU-CQSZACIVSA-N 1 0 328.416 3.311 20 5 EGBDRO Cc1ccc(C[N@@H+]2CCCN(c3ccnc(F)c3[N+](=O)[O-])CC2)cc1 ZINC001331898182 1389902628 /nfs/dbraw/zinc/90/26/28/1389902628.db2.gz QTGFYSPDIUFHPH-UHFFFAOYSA-N 1 0 344.390 3.150 20 5 EGBDRO COc1cc([N+](=O)[O-])cnc1N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001339660427 1390100700 /nfs/dbraw/zinc/10/07/00/1390100700.db2.gz MVNMOQDVQMIMID-CHWSQXEVSA-N 1 0 334.420 3.063 20 5 EGBDRO CC[N@@H+]1CCCC[C@H]1CNc1ncnc2c(Cl)cc([N+](=O)[O-])cc12 ZINC001343098344 1390691519 /nfs/dbraw/zinc/69/15/19/1390691519.db2.gz STNNAGKOYUACSD-NSHDSACASA-N 1 0 349.822 3.478 20 5 EGBDRO CN(C)c1ccc(CC[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC001346503298 1390947471 /nfs/dbraw/zinc/94/74/71/1390947471.db2.gz DNZONCQFBIPNEC-GOSISDBHSA-N 1 0 325.412 3.480 20 5 EGBDRO C[C@@H]1C[C@H]2CC[C@@H](C(=O)NC(C)(C)c3ccc([N+](=O)[O-])cc3)C[N@@H+]2C1 ZINC001346984361 1390990772 /nfs/dbraw/zinc/99/07/72/1390990772.db2.gz AAKRTSWABPUOIE-CKEIUWERSA-N 1 0 345.443 3.067 20 5 EGBDRO CCOc1cc(NC2CCN(c3cc[nH+]cc3)CC2)ccc1[N+](=O)[O-] ZINC001348595847 1391242823 /nfs/dbraw/zinc/24/28/23/1391242823.db2.gz PWUTUWZMBNPCLL-UHFFFAOYSA-N 1 0 342.399 3.469 20 5 EGBDRO CC1(C(=O)NCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)CCCC1 ZINC001753156439 1440331099 /nfs/dbraw/zinc/33/10/99/1440331099.db2.gz AHLSTOPYRMVVFF-UHFFFAOYSA-N 1 0 345.443 3.256 20 5 EGBDRO O=C(NC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CCCC1)c1ccco1 ZINC001753499061 1440422608 /nfs/dbraw/zinc/42/26/08/1440422608.db2.gz HXJIZQWPHAOGPR-UHFFFAOYSA-N 1 0 343.383 3.020 20 5 EGBDRO Cc1csc(C(=O)NCC2([NH2+]Cc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC001754513576 1440618104 /nfs/dbraw/zinc/61/81/04/1440618104.db2.gz UTXAOZYDJKWTQY-UHFFFAOYSA-N 1 0 345.424 3.017 20 5 EGBDRO CC/C(C)=C\C(=O)N(C)CCC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001755036260 1440734566 /nfs/dbraw/zinc/73/45/66/1440734566.db2.gz RBIONYOLAPLRNC-SQFISAMPSA-N 1 0 333.432 3.231 20 5 EGBDRO O=[N+]([O-])c1cccc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC001164627278 719063966 /nfs/dbraw/zinc/06/39/66/719063966.db2.gz QKSPBCIDMROWNS-DLBZAZTESA-N 1 0 338.411 3.091 20 5 EGBDRO C[NH+](C)[C@H]1CCCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)C1 ZINC000485404534 721898976 /nfs/dbraw/zinc/89/89/76/721898976.db2.gz ADIVLKCYWNRZDV-HNNXBMFYSA-N 1 0 344.390 3.326 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H](CO)Cc1ccc(F)cc1 ZINC000873113915 1126117545 /nfs/dbraw/zinc/11/75/45/1126117545.db2.gz OLPLNMGZIXJMDN-INIZCTEOSA-N 1 0 332.375 3.044 20 5 EGBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)C[C@@H]1CCCOC1 ZINC000174148562 231133273 /nfs/dbraw/zinc/13/32/73/231133273.db2.gz CQYDNVCFUIRKDQ-OLZOCXBDSA-N 1 0 346.387 3.064 20 5 EGBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000056788418 214388925 /nfs/dbraw/zinc/38/89/25/214388925.db2.gz AYKMQNGGDKWCDP-KFWWJZLASA-N 1 0 348.447 3.075 20 5 EGBDRO Cc1ccc([C@@H](C)NC(=O)NC2CC[NH+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000175554738 231468621 /nfs/dbraw/zinc/46/86/21/231468621.db2.gz FAYCCBZUPQYVAD-CQSZACIVSA-N 1 0 348.447 3.136 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2nccs2)cc1[N+](=O)[O-] ZINC000178685968 232377951 /nfs/dbraw/zinc/37/79/51/232377951.db2.gz KXDKGWSBVIRFLT-QWRGUYRKSA-N 1 0 334.401 3.038 20 5 EGBDRO CC(C)NC(=O)CC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000102421365 219203069 /nfs/dbraw/zinc/20/30/69/219203069.db2.gz HATWSCWAQPWUTO-UHFFFAOYSA-N 1 0 347.440 3.328 20 5 EGBDRO C[C@@H](c1ccco1)[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000181663425 234275878 /nfs/dbraw/zinc/27/58/78/234275878.db2.gz COMMNAPGFBSMOE-NSHDSACASA-N 1 0 335.335 3.349 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCO[C@]3(CCSC3)C2)c(Cl)c1 ZINC000183916541 235260652 /nfs/dbraw/zinc/26/06/52/235260652.db2.gz KKICRLOIFNRJRD-SWLSCSKDSA-N 1 0 342.848 3.393 20 5 EGBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000376078339 299301805 /nfs/dbraw/zinc/30/18/05/299301805.db2.gz CWHHADSDIQHDQY-ZMLRMANQSA-N 1 0 340.836 3.288 20 5 EGBDRO C[C@@H](NC(=O)NC1CC[NH+](C(C)(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000193831856 240326822 /nfs/dbraw/zinc/32/68/22/240326822.db2.gz RZCNMKIVJLJOPB-CYBMUJFWSA-N 1 0 348.447 3.218 20 5 EGBDRO Cc1c([C@H](C)NC2CC[NH+](C[C@@H]3CCOC3)CC2)cccc1[N+](=O)[O-] ZINC000132961475 223376796 /nfs/dbraw/zinc/37/67/96/223376796.db2.gz SHFABLLCWMPKEU-HOTGVXAUSA-N 1 0 347.459 3.055 20 5 EGBDRO CC[C@@H](C[NH2+]Cc1csc([N+](=O)[O-])c1)NC(=O)OC(C)(C)C ZINC000227720778 242134867 /nfs/dbraw/zinc/13/48/67/242134867.db2.gz INMJRPKWWAMTTK-NSHDSACASA-N 1 0 329.422 3.049 20 5 EGBDRO C[NH+](C)CC(C)(C)CNc1ccc(Br)cc1[N+](=O)[O-] ZINC000021506154 212227213 /nfs/dbraw/zinc/22/72/13/212227213.db2.gz DQJXTGMWMJQXAP-UHFFFAOYSA-N 1 0 330.226 3.357 20 5 EGBDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000246290875 243225366 /nfs/dbraw/zinc/22/53/66/243225366.db2.gz DERGVIXOHYHNOW-JKSUJKDBSA-N 1 0 345.443 3.321 20 5 EGBDRO Cc1ccc([C@H](C)NC(=O)[C@@H](C)[C@H]([NH3+])c2ccccc2)cc1[N+](=O)[O-] ZINC000262642628 245089607 /nfs/dbraw/zinc/08/96/07/245089607.db2.gz SJYAATJAVTVHBG-DEYYWGMASA-N 1 0 341.411 3.417 20 5 EGBDRO O=C(NCCCCC[NH+]1CCCCC1)c1ccc([N+](=O)[O-])s1 ZINC000110440145 220036457 /nfs/dbraw/zinc/03/64/57/220036457.db2.gz DXLBNMSNHDJAGK-UHFFFAOYSA-N 1 0 325.434 3.042 20 5 EGBDRO CC[C@H]1C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H](C)O1 ZINC000111276703 220131187 /nfs/dbraw/zinc/13/11/87/220131187.db2.gz WETDLFTUOVIUFQ-BBRMVZONSA-N 1 0 345.399 3.292 20 5 EGBDRO Cc1ccc(C[NH2+]CC2(N3CCCCC3)CCOCC2)cc1[N+](=O)[O-] ZINC000111403437 220151822 /nfs/dbraw/zinc/15/18/22/220151822.db2.gz KCFRPMMOCOAIAE-UHFFFAOYSA-N 1 0 347.459 3.028 20 5 EGBDRO CC[C@H]1CO[C@@H](C)C[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000264145411 246107533 /nfs/dbraw/zinc/10/75/33/246107533.db2.gz BWVDQHAGRDRBTP-ZFWWWQNUSA-N 1 0 345.399 3.292 20 5 EGBDRO CCC[N@H+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000266177864 248149684 /nfs/dbraw/zinc/14/96/84/248149684.db2.gz BJRSJZPVEDKNTM-GFCCVEGCSA-N 1 0 343.374 3.364 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000408441228 169177828 /nfs/dbraw/zinc/17/78/28/169177828.db2.gz DESUGTPBKULLAG-OWCLPIDISA-N 1 0 345.443 3.381 20 5 EGBDRO CNC(=O)[C@@H](C)C[N@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000093899101 218256817 /nfs/dbraw/zinc/25/68/17/218256817.db2.gz NRCAIUACCOOWCE-LBPRGKRZSA-N 1 0 347.440 3.137 20 5 EGBDRO CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000268740444 252190223 /nfs/dbraw/zinc/19/02/23/252190223.db2.gz RSPPKBCZJOYOJP-RYUDHWBXSA-N 1 0 347.440 3.499 20 5 EGBDRO COc1ccc(C[NH2+][C@@H](C)c2ccc3c(c2)COC3)cc1[N+](=O)[O-] ZINC000268790458 252241646 /nfs/dbraw/zinc/24/16/46/252241646.db2.gz BUFZYCAAZXNWOW-LBPRGKRZSA-N 1 0 328.368 3.484 20 5 EGBDRO CC[NH+](CC)[C@H]1CCN(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)C1 ZINC000097380037 219020845 /nfs/dbraw/zinc/02/08/45/219020845.db2.gz IIOZEPUHXJEXCT-AWEZNQCLSA-N 1 0 334.420 3.160 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](c1ccco1)N(C)C ZINC000344884435 533408623 /nfs/dbraw/zinc/40/86/23/533408623.db2.gz TVTWUIWBDZACTN-IDKBZEPQSA-N 1 0 329.400 3.484 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](CC2CC2)C1 ZINC000339687804 142626877 /nfs/dbraw/zinc/62/68/77/142626877.db2.gz SVSDHMLCGTXTFQ-OAHLLOKOSA-N 1 0 331.416 3.354 20 5 EGBDRO C[C@@H]1c2ccccc2CCN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000170956079 144000100 /nfs/dbraw/zinc/00/01/00/144000100.db2.gz ZJUOFCPSTLTITI-CQSZACIVSA-N 1 0 339.395 3.177 20 5 EGBDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000172843905 144030010 /nfs/dbraw/zinc/03/00/10/144030010.db2.gz IPBUOHGMYMEATO-CQSZACIVSA-N 1 0 339.823 3.195 20 5 EGBDRO C[C@@H](NC(=O)NCC1(C[NH+](C)C)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000185514427 144114123 /nfs/dbraw/zinc/11/41/23/144114123.db2.gz AULJTNGYVVKJPU-CQSZACIVSA-N 1 0 348.447 3.077 20 5 EGBDRO C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@H]1COc2ccccc21 ZINC000185578646 144114991 /nfs/dbraw/zinc/11/49/91/144114991.db2.gz COPJJTXLFCLKLY-BXUZGUMPSA-N 1 0 339.351 3.390 20 5 EGBDRO COCC[N@H+](CCc1ccccc1)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000351586408 144284283 /nfs/dbraw/zinc/28/42/83/144284283.db2.gz XXXGJFQTZZDPDL-UHFFFAOYSA-N 1 0 344.411 3.295 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3ccc(Cl)cc3)C2)nc1 ZINC000118866666 152158296 /nfs/dbraw/zinc/15/82/96/152158296.db2.gz CANZUUDBCAGVOA-AWEZNQCLSA-N 1 0 332.791 3.330 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1CC[C@H](C)C[C@H]1C ZINC000119216655 152185399 /nfs/dbraw/zinc/18/53/99/152185399.db2.gz SXWJJYXLFRMLKL-GZBFAFLISA-N 1 0 349.431 3.346 20 5 EGBDRO C[C@H]1CN(CCOc2ccccc2[N+](=O)[O-])C[C@H](c2ccsc2)O1 ZINC000121083670 152324480 /nfs/dbraw/zinc/32/44/80/152324480.db2.gz BIQRIWJBWYELDN-SUMWQHHRSA-N 1 0 348.424 3.497 20 5 EGBDRO Cc1cc(N[C@H](C)[C@@H]2CCC[NH2+]C2)c(Br)cc1[N+](=O)[O-] ZINC000235260165 153448786 /nfs/dbraw/zinc/44/87/86/153448786.db2.gz NXRGVSKJWRPISC-GHMZBOCLSA-N 1 0 342.237 3.466 20 5 EGBDRO C[C@H](Nc1ncccc1[N+](=O)[O-])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000336674212 154210469 /nfs/dbraw/zinc/21/04/69/154210469.db2.gz BVRXGFGYHZYDCB-GOEBONIOSA-N 1 0 326.400 3.312 20 5 EGBDRO O=c1ccccn1C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000337284423 154259338 /nfs/dbraw/zinc/25/93/38/154259338.db2.gz JLSMWUAXBQLVPU-LJQANCHMSA-N 1 0 349.390 3.288 20 5 EGBDRO CCC[C@]1(COC)CCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337456860 154363252 /nfs/dbraw/zinc/36/32/52/154363252.db2.gz IDZLDMGAXYRDKR-GOSISDBHSA-N 1 0 349.431 3.205 20 5 EGBDRO COc1ccccc1[C@@H](CNc1ccc([N+](=O)[O-])nc1)[NH+]1CCCC1 ZINC000339939266 155043352 /nfs/dbraw/zinc/04/33/52/155043352.db2.gz VLPWHFUUXNYVST-MRXNPFEDSA-N 1 0 342.399 3.247 20 5 EGBDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342913449 155576438 /nfs/dbraw/zinc/57/64/38/155576438.db2.gz IBXNBHFAUPOFAQ-ZDUSSCGKSA-N 1 0 344.415 3.070 20 5 EGBDRO CCOc1ccc([C@H](C)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000372449964 157333706 /nfs/dbraw/zinc/33/37/06/157333706.db2.gz OBAYXWJYPLNRFM-CWRNSKLLSA-N 1 0 333.432 3.271 20 5 EGBDRO CCOc1cccc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000093534208 162015188 /nfs/dbraw/zinc/01/51/88/162015188.db2.gz QTKFYMWJKRHAFW-OAHLLOKOSA-N 1 0 342.399 3.075 20 5 EGBDRO CCC[C@H](O)C[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000112377242 162174147 /nfs/dbraw/zinc/17/41/47/162174147.db2.gz KFCKMMNCBNJBIZ-LBPRGKRZSA-N 1 0 334.372 3.114 20 5 EGBDRO CSc1ccc(C(=O)NC[C@H](CC(C)C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000114377984 162230070 /nfs/dbraw/zinc/23/00/70/162230070.db2.gz SFZCIGSTGNYLSJ-ZDUSSCGKSA-N 1 0 339.461 3.023 20 5 EGBDRO COCC[N@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1ccc(C)o1 ZINC000125212387 162267993 /nfs/dbraw/zinc/26/79/93/162267993.db2.gz KHQBHEGRNHICCI-UHFFFAOYSA-N 1 0 334.372 3.024 20 5 EGBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCCO2 ZINC000129711474 162363840 /nfs/dbraw/zinc/36/38/40/162363840.db2.gz AHQOLHGZCSFVEL-ZDUSSCGKSA-N 1 0 328.368 3.259 20 5 EGBDRO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000130588517 162373691 /nfs/dbraw/zinc/37/36/91/162373691.db2.gz ZIZONFHBDKKRLM-OAHLLOKOSA-N 1 0 330.388 3.151 20 5 EGBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccc(-n2cncn2)cc1 ZINC000344068919 164095666 /nfs/dbraw/zinc/09/56/66/164095666.db2.gz SDGMXHOBASQOMT-CQSZACIVSA-N 1 0 337.383 3.069 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H](C)CC(C)(C)C1 ZINC000344078167 164098045 /nfs/dbraw/zinc/09/80/45/164098045.db2.gz XLEBTENOUSCVJJ-ZDUSSCGKSA-N 1 0 349.431 3.300 20 5 EGBDRO CC[NH+](CC)Cc1ccc(CNC(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000344216569 164128875 /nfs/dbraw/zinc/12/88/75/164128875.db2.gz UDWYYSBHSBFHEB-UHFFFAOYSA-N 1 0 347.440 3.428 20 5 EGBDRO C[C@@H]([NH2+]C1(CNc2c([N+](=O)[O-])ncn2C)CCCC1)c1ccccc1 ZINC000344404453 164170593 /nfs/dbraw/zinc/17/05/93/164170593.db2.gz DNCUGSYJWFGBHN-CQSZACIVSA-N 1 0 343.431 3.404 20 5 EGBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000344579747 164191982 /nfs/dbraw/zinc/19/19/82/164191982.db2.gz BNBXWFWJSSCQNI-BRWVUGGUSA-N 1 0 347.459 3.311 20 5 EGBDRO COc1ccccc1[C@H](CNc1cccc(OC)c1[N+](=O)[O-])[NH+](C)C ZINC000355448963 166202865 /nfs/dbraw/zinc/20/28/65/166202865.db2.gz VMFANHKMJLURST-HNNXBMFYSA-N 1 0 345.399 3.327 20 5 EGBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)[C@H]1OC ZINC000355747167 166296145 /nfs/dbraw/zinc/29/61/45/166296145.db2.gz IARVXZGMSVBRES-CGTJXYLNSA-N 1 0 346.383 3.137 20 5 EGBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000358650315 166926064 /nfs/dbraw/zinc/92/60/64/166926064.db2.gz NTMNZGNQMJRXFS-CKEIUWERSA-N 1 0 331.416 3.072 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)N2Cc3ccccc3C2)cc1[N+](=O)[O-] ZINC000359046620 167049385 /nfs/dbraw/zinc/04/93/85/167049385.db2.gz LBPIFPHCMWOUSH-CQSZACIVSA-N 1 0 339.395 3.096 20 5 EGBDRO COc1ccccc1[C@@H](CNc1nc(C)cc(C)c1[N+](=O)[O-])[NH+](C)C ZINC000359085022 167063000 /nfs/dbraw/zinc/06/30/00/167063000.db2.gz SJSSQZKPWUOHOV-OAHLLOKOSA-N 1 0 344.415 3.330 20 5 EGBDRO CCC[C@H]1C[NH2+]CCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000359232784 167102574 /nfs/dbraw/zinc/10/25/74/167102574.db2.gz RIDADPXLQADIDJ-ZDUSSCGKSA-N 1 0 333.413 3.024 20 5 EGBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H](C(C)C)[NH+]1CCCCCC1 ZINC000359449039 167158930 /nfs/dbraw/zinc/15/89/30/167158930.db2.gz OWOUGKDWEPHAKX-HNNXBMFYSA-N 1 0 337.468 3.432 20 5 EGBDRO Cc1ccc(C(=O)N[C@H](C[NH+](C)C)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000359818039 167240160 /nfs/dbraw/zinc/24/01/60/167240160.db2.gz ICGZPNJLPATLHD-MRXNPFEDSA-N 1 0 345.374 3.075 20 5 EGBDRO Cc1cc(C(=O)N[C@@H](C[NH+](C)C)c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000360206488 167270425 /nfs/dbraw/zinc/27/04/25/167270425.db2.gz AFMKTZWOVGQYHA-INIZCTEOSA-N 1 0 345.374 3.075 20 5 EGBDRO COCCOc1cccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000360416500 167324807 /nfs/dbraw/zinc/32/48/07/167324807.db2.gz IPYOGGUIMNWWSK-CQSZACIVSA-N 1 0 330.384 3.471 20 5 EGBDRO CCc1ccc([C@H]2CN(C(=O)c3csc([N+](=O)[O-])c3)CCN2)cc1 ZINC000367070260 168175821 /nfs/dbraw/zinc/17/58/21/168175821.db2.gz BMPBWGVDBSYXBX-OAHLLOKOSA-N 1 0 345.424 3.005 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]CC2(C(=O)N(C)C)CCCC2)cc1[N+](=O)[O-] ZINC000165094244 226109598 /nfs/dbraw/zinc/10/95/98/226109598.db2.gz FAIJMITZUUVHTJ-AWEZNQCLSA-N 1 0 333.432 3.202 20 5 EGBDRO Cc1ccc(C[NH2+]CCc2nc3cc(F)ccc3n2C)cc1[N+](=O)[O-] ZINC000123889535 222347211 /nfs/dbraw/zinc/34/72/11/222347211.db2.gz HQQSIXAUBGNZAQ-UHFFFAOYSA-N 1 0 342.374 3.261 20 5 EGBDRO [NH3+][C@H]1CCCCCC[C@H]1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000178539879 265323977 /nfs/dbraw/zinc/32/39/77/265323977.db2.gz SQZDXBCFNYYULF-MSOLQXFVSA-N 1 0 347.459 3.331 20 5 EGBDRO C[C@@H]([NH2+]CC1(N2CCOCC2)CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000178532140 265324255 /nfs/dbraw/zinc/32/42/55/265324255.db2.gz CMKBPLYUKYBQTI-MRXNPFEDSA-N 1 0 347.459 3.281 20 5 EGBDRO CC(C)(CNc1ncc([N+](=O)[O-])s1)[N@@H+]1CCc2ccccc2C1 ZINC000195508019 266186535 /nfs/dbraw/zinc/18/65/35/266186535.db2.gz KEMAVPOMXHNIGJ-UHFFFAOYSA-N 1 0 332.429 3.300 20 5 EGBDRO CC[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H](C)c1cccc(O)c1 ZINC000269628092 266329879 /nfs/dbraw/zinc/32/98/79/266329879.db2.gz DGFHNKYNYCUUTF-SCLBCKFNSA-N 1 0 330.384 3.417 20 5 EGBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)[C@@]12CCCO2 ZINC000273537106 267055947 /nfs/dbraw/zinc/05/59/47/267055947.db2.gz AQMZJSHDXOJHSG-XHSDSOJGSA-N 1 0 340.807 3.064 20 5 EGBDRO CC[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccc(Cl)s1 ZINC000273559791 267058982 /nfs/dbraw/zinc/05/89/82/267058982.db2.gz ZIJJFOVSAABAFB-LLVKDONJSA-N 1 0 341.820 3.212 20 5 EGBDRO CC[C@@H]([NH2+]CCc1cn2c(n1)SCC2)c1cccc([N+](=O)[O-])c1 ZINC000274384795 267227209 /nfs/dbraw/zinc/22/72/09/267227209.db2.gz NLPSHAPFFNMOAN-OAHLLOKOSA-N 1 0 332.429 3.180 20 5 EGBDRO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)[C@@H](C)C1 ZINC000360328945 274318493 /nfs/dbraw/zinc/31/84/93/274318493.db2.gz IKTULMRUYOFXBN-OSRSDYAFSA-N 1 0 331.416 3.114 20 5 EGBDRO Cc1cccc(CCC[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000353849421 274791949 /nfs/dbraw/zinc/79/19/49/274791949.db2.gz YHALSULFCWCBEB-SJORKVTESA-N 1 0 343.431 3.201 20 5 EGBDRO O=[N+]([O-])c1c(NC2CC[NH+](C3CCCC3)CC2)nc2sccn21 ZINC000267198192 275032747 /nfs/dbraw/zinc/03/27/47/275032747.db2.gz NYYRDROQLFEKHE-UHFFFAOYSA-N 1 0 335.433 3.123 20 5 EGBDRO CC[C@@H](C)[C@H](C)[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C1CC1 ZINC000106439636 275168645 /nfs/dbraw/zinc/16/86/45/275168645.db2.gz XWDGGERPWHHFAX-OLZOCXBDSA-N 1 0 349.431 3.441 20 5 EGBDRO Cc1n[nH]c(C)c1C[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000278879542 275283630 /nfs/dbraw/zinc/28/36/30/275283630.db2.gz ZJUJIDDWIKMNAV-UHFFFAOYSA-N 1 0 328.294 3.243 20 5 EGBDRO COc1cc(C[NH2+]CCF)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000280638731 275475412 /nfs/dbraw/zinc/47/54/12/275475412.db2.gz IDMKHBUWIYDLSS-UHFFFAOYSA-N 1 0 334.347 3.242 20 5 EGBDRO CCS[C@@H]1CCC[C@H]1[NH2+][C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000284823310 275828985 /nfs/dbraw/zinc/82/89/85/275828985.db2.gz AFZYVVUDWZJBLR-UXIGCNINSA-N 1 0 337.445 3.186 20 5 EGBDRO CCC[N@H+](C)C[C@@H]1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000286442936 276001580 /nfs/dbraw/zinc/00/15/80/276001580.db2.gz NQXRCGWGFHULIF-LBPRGKRZSA-N 1 0 327.375 3.037 20 5 EGBDRO C[C@@H](C[NH+](C)C)Nc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] ZINC000286469229 276004457 /nfs/dbraw/zinc/00/44/57/276004457.db2.gz QCDAGZXQPPCNIQ-ZETCQYMHSA-N 1 0 342.268 3.006 20 5 EGBDRO CSc1ccc(C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)cc1[N+](=O)[O-] ZINC000287202705 276096019 /nfs/dbraw/zinc/09/60/19/276096019.db2.gz PKUQBOSVFYYCNM-TZMCWYRMSA-N 1 0 349.456 3.016 20 5 EGBDRO Cc1cc(NCc2ccncc2OCCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000288192357 276189728 /nfs/dbraw/zinc/18/97/28/276189728.db2.gz JZIHPMIILZFSLV-UHFFFAOYSA-N 1 0 344.415 3.241 20 5 EGBDRO C[C@@H]1[C@H](NC(=O)c2csc([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000288370975 276207272 /nfs/dbraw/zinc/20/72/72/276207272.db2.gz UVYLBHQALAEIRO-IUODEOHRSA-N 1 0 345.424 3.049 20 5 EGBDRO Cn1cc(C[NH2+]C[C@@H]2CCCSC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000288519333 276223019 /nfs/dbraw/zinc/22/30/19/276223019.db2.gz UPGHGBYMVNHSCS-ZDUSSCGKSA-N 1 0 346.456 3.228 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000288937145 276269243 /nfs/dbraw/zinc/26/92/43/276269243.db2.gz WLOSMSSQXSMRQW-LJQANCHMSA-N 1 0 344.386 3.161 20 5 EGBDRO COc1ccc(C[N@H+](CCn2ccc([N+](=O)[O-])n2)C(C)(C)C)cc1 ZINC000288989048 276275475 /nfs/dbraw/zinc/27/54/75/276275475.db2.gz ZUIOWTJBUPTNIT-UHFFFAOYSA-N 1 0 332.404 3.101 20 5 EGBDRO CC(C)[N@@H+]1CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000289652751 276372669 /nfs/dbraw/zinc/37/26/69/276372669.db2.gz LUJIJBGSVDMZGE-UHFFFAOYSA-N 1 0 340.811 3.196 20 5 EGBDRO Cc1c([C@H](C)[NH2+][C@H]2COc3ccccc3[C@H]2O)cccc1[N+](=O)[O-] ZINC000290531542 276507919 /nfs/dbraw/zinc/50/79/19/276507919.db2.gz ZKLUIWONDVMILQ-XLWVJDPXSA-N 1 0 328.368 3.048 20 5 EGBDRO CCc1ccc([C@H]2C[NH2+]CCN2C(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000262256459 276691667 /nfs/dbraw/zinc/69/16/67/276691667.db2.gz QSKVIPCRRBHMME-OAHLLOKOSA-N 1 0 345.424 3.005 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+](C1CCC1)C1CCC1 ZINC000292407707 276789071 /nfs/dbraw/zinc/78/90/71/276789071.db2.gz LTIPKUXHWCCMKN-UHFFFAOYSA-N 1 0 347.415 3.339 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCNc1cccc(C)n1 ZINC000345042814 277728280 /nfs/dbraw/zinc/72/82/80/277728280.db2.gz BRHHCVJFDJMFFB-KAMYIIQDSA-N 1 0 326.400 3.403 20 5 EGBDRO CC(C)c1ccc(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000188055101 278024075 /nfs/dbraw/zinc/02/40/75/278024075.db2.gz CGRUCOPKSBMIOI-DOTOQJQBSA-N 1 0 345.443 3.275 20 5 EGBDRO C[C@@H](CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)[NH+]1CCCCC1 ZINC000345757756 278233060 /nfs/dbraw/zinc/23/30/60/278233060.db2.gz WWBXAJIOTBCKME-ZDUSSCGKSA-N 1 0 345.399 3.335 20 5 EGBDRO CCOC1(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCCC1 ZINC000340466196 279659870 /nfs/dbraw/zinc/65/98/70/279659870.db2.gz PZVQHOPIONVZKS-CABCVRRESA-N 1 0 336.436 3.214 20 5 EGBDRO Cc1cccc(CCC[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000353849420 281215144 /nfs/dbraw/zinc/21/51/44/281215144.db2.gz YHALSULFCWCBEB-IRXDYDNUSA-N 1 0 343.431 3.201 20 5 EGBDRO CC[NH+](CC)[C@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000062429141 307353721 /nfs/dbraw/zinc/35/37/21/307353721.db2.gz BMNSTMINABZFFI-OAHLLOKOSA-N 1 0 346.387 3.392 20 5 EGBDRO COc1ccc([C@@H](CO)C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000414196682 309066302 /nfs/dbraw/zinc/06/63/02/309066302.db2.gz VTKWHRUJRCAKKO-CZUORRHYSA-N 1 0 330.384 3.030 20 5 EGBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)c1nccs1 ZINC000414213475 309067056 /nfs/dbraw/zinc/06/70/56/309067056.db2.gz TWRDPMBMRTVIHZ-MNOVXSKESA-N 1 0 334.401 3.119 20 5 EGBDRO Cc1c([C@H](C)[NH2+]C[C@@H](CO)c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000414301542 309071715 /nfs/dbraw/zinc/07/17/15/309071715.db2.gz VPWXQZWVXWTJMW-ZFWWWQNUSA-N 1 0 332.375 3.469 20 5 EGBDRO COc1cc(C[NH2+][C@H](C(C)C)C2(CO)CCC2)c([N+](=O)[O-])cc1F ZINC000293204330 308109180 /nfs/dbraw/zinc/10/91/80/308109180.db2.gz XDGRUTOSZFTGTG-MRXNPFEDSA-N 1 0 340.395 3.019 20 5 EGBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000293329854 308120915 /nfs/dbraw/zinc/12/09/15/308120915.db2.gz JLFRJHAALSQAEU-KGLIPLIRSA-N 1 0 348.447 3.002 20 5 EGBDRO C[C@H]([NH2+]Cc1cccc(N2CCOCC2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000293661234 308150618 /nfs/dbraw/zinc/15/06/18/308150618.db2.gz IQWZYPMZMAHWEN-HNNXBMFYSA-N 1 0 341.411 3.282 20 5 EGBDRO CCC[C@@H](C)C(=O)NCC[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000293802071 308163153 /nfs/dbraw/zinc/16/31/53/308163153.db2.gz VDEZOEXLOLLWTN-CABCVRRESA-N 1 0 335.448 3.058 20 5 EGBDRO COc1ccc(C[N@@H+]2CC3(CCOCC3)[C@H]2C(C)C)cc1[N+](=O)[O-] ZINC000414538825 309087432 /nfs/dbraw/zinc/08/74/32/309087432.db2.gz MSMUSPAUUNAGCO-QGZVFWFLSA-N 1 0 334.416 3.240 20 5 EGBDRO COc1ccccc1O[C@H](C)C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294653088 308242428 /nfs/dbraw/zinc/24/24/28/308242428.db2.gz GWJJYXKNIRDVOY-CHWSQXEVSA-N 1 0 345.399 3.304 20 5 EGBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000295052146 308285827 /nfs/dbraw/zinc/28/58/27/308285827.db2.gz KDACYDWLXVDFCR-LBPRGKRZSA-N 1 0 339.823 3.098 20 5 EGBDRO O=C1CCC(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000295055569 308286223 /nfs/dbraw/zinc/28/62/23/308286223.db2.gz OXLJIJLRHOKDPP-UHFFFAOYSA-N 1 0 332.400 3.197 20 5 EGBDRO C[C@H]1[C@H](CO)CCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000414579771 309090548 /nfs/dbraw/zinc/09/05/48/309090548.db2.gz QAKQAHJRNWSLOO-ZFWWWQNUSA-N 1 0 330.384 3.448 20 5 EGBDRO C[NH2+]Cc1ccc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000295156900 308297685 /nfs/dbraw/zinc/29/76/85/308297685.db2.gz DFLUGBFQQRUZPO-UHFFFAOYSA-N 1 0 327.384 3.231 20 5 EGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@@H](O)Cc1cccc(F)c1 ZINC000295159505 308298048 /nfs/dbraw/zinc/29/80/48/308298048.db2.gz SADUKINJUSUZRW-HNNXBMFYSA-N 1 0 338.766 3.081 20 5 EGBDRO O=C(NCCCCNc1ccccn1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000295285694 308310948 /nfs/dbraw/zinc/31/09/48/308310948.db2.gz PVDRTNFQJFPNJK-UHFFFAOYSA-N 1 0 348.790 3.265 20 5 EGBDRO CC[C@](C[NH2+]Cc1cccc([N+](=O)[O-])c1)(C(=O)OC)c1ccccc1 ZINC000414595675 309091105 /nfs/dbraw/zinc/09/11/05/309091105.db2.gz ZJJDGIQZRLQKOV-LJQANCHMSA-N 1 0 342.395 3.205 20 5 EGBDRO CN(c1nccc2cc([N+](=O)[O-])ccc21)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000295629814 308345157 /nfs/dbraw/zinc/34/51/57/308345157.db2.gz BXRKGDKBESXKNE-MZBDJJRSSA-N 1 0 326.400 3.204 20 5 EGBDRO CO[C@@H]1CC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1(C)C ZINC000295953041 308378319 /nfs/dbraw/zinc/37/83/19/308378319.db2.gz JLMUCWABCGUWBO-MRXNPFEDSA-N 1 0 345.399 3.497 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000297246919 308514251 /nfs/dbraw/zinc/51/42/51/308514251.db2.gz SXHYRNLUWFFBRG-UHFFFAOYSA-N 1 0 345.443 3.267 20 5 EGBDRO CC[C@@](C)([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1nccs1 ZINC000298583655 308626123 /nfs/dbraw/zinc/62/61/23/308626123.db2.gz JUHDDVGLSOXLQE-MRXNPFEDSA-N 1 0 348.428 3.295 20 5 EGBDRO C[C@H]1C[NH+](CCCNc2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)O1 ZINC000301101696 308688314 /nfs/dbraw/zinc/68/83/14/308688314.db2.gz YLJUBOSTQLEJIU-RYUDHWBXSA-N 1 0 327.812 3.159 20 5 EGBDRO Cc1cc(NC2CC[NH+](C3CC3)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000302027909 308725722 /nfs/dbraw/zinc/72/57/22/308725722.db2.gz QXTITGGLYVNIIG-UHFFFAOYSA-N 1 0 326.400 3.490 20 5 EGBDRO CC1CC[NH+]([C@H](CNc2ncc([N+](=O)[O-])cn2)c2ccccc2)CC1 ZINC000302167094 308731680 /nfs/dbraw/zinc/73/16/80/308731680.db2.gz RXKFLZXGYYKQDG-QGZVFWFLSA-N 1 0 341.415 3.270 20 5 EGBDRO Cc1cc(NCCNC(=O)OC(C)(C)C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302186919 308732452 /nfs/dbraw/zinc/73/24/52/308732452.db2.gz PTJXWADLEJJQIC-UHFFFAOYSA-N 1 0 346.387 3.388 20 5 EGBDRO C[C@@H]([NH2+][C@@H]1CCCN(CC(C)(C)C)C1=O)c1ccccc1[N+](=O)[O-] ZINC000330901018 308800018 /nfs/dbraw/zinc/80/00/18/308800018.db2.gz OXSKHHZSRTXWGG-UKRRQHHQSA-N 1 0 333.432 3.283 20 5 EGBDRO C[C@H](C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)c1nccs1 ZINC000331390508 308805612 /nfs/dbraw/zinc/80/56/12/308805612.db2.gz ANBOIWZXNGDPEU-AGIUHOORSA-N 1 0 335.433 3.125 20 5 EGBDRO CSc1cccc(C(=O)NC(C)(C)CCC[NH+](C)C)c1[N+](=O)[O-] ZINC000411049560 308924467 /nfs/dbraw/zinc/92/44/67/308924467.db2.gz PWMXPSJUXWWAGZ-UHFFFAOYSA-N 1 0 339.461 3.167 20 5 EGBDRO CCCC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000411664665 308947615 /nfs/dbraw/zinc/94/76/15/308947615.db2.gz CNFRNXIESLLIGL-ZWKOTPCHSA-N 1 0 345.443 3.079 20 5 EGBDRO O=[N+]([O-])c1cnc(NC[C@H](c2ccccc2)[NH+]2CCCC2)c(F)c1 ZINC000413028143 309012312 /nfs/dbraw/zinc/01/23/12/309012312.db2.gz OLPKVJPDBPDGJE-MRXNPFEDSA-N 1 0 330.363 3.378 20 5 EGBDRO CC[C@@H](CNc1ncc([N+](=O)[O-])cc1C(F)(F)F)[NH+]1CCCC1 ZINC000413056884 309013738 /nfs/dbraw/zinc/01/37/38/309013738.db2.gz WDFGRDMSUQIKMC-JTQLQIEISA-N 1 0 332.326 3.295 20 5 EGBDRO C[C@H](Nc1ncc([N+](=O)[O-])cc1F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000413242318 309023201 /nfs/dbraw/zinc/02/32/01/309023201.db2.gz UNAKITDNTNXZHF-DZGCQCFKSA-N 1 0 344.390 3.451 20 5 EGBDRO CC(C)NC(=O)c1ccc(NCCCC[N@H+](C)C2CC2)c([N+](=O)[O-])c1 ZINC000413349882 309028121 /nfs/dbraw/zinc/02/81/21/309028121.db2.gz UOEZSJIWBYMECU-UHFFFAOYSA-N 1 0 348.447 3.019 20 5 EGBDRO C[C@]1(CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCC[NH2+]C1 ZINC000414905527 309108515 /nfs/dbraw/zinc/10/85/15/309108515.db2.gz LKNCXBZSEKZMNY-KRWDZBQOSA-N 1 0 346.456 3.198 20 5 EGBDRO C[C@@H](CCCC[NH3+])NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000415444023 309133609 /nfs/dbraw/zinc/13/36/09/309133609.db2.gz RBJOPPIULOWOML-VIFPVBQESA-N 1 0 348.325 3.253 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N(CCC[NH3+])CC1CCCC1 ZINC000415490872 309134976 /nfs/dbraw/zinc/13/49/76/309134976.db2.gz ANJPXRCAGVESOP-UHFFFAOYSA-N 1 0 334.420 3.276 20 5 EGBDRO CN(C)[C@@]1(C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CCSC1 ZINC000417313889 309201329 /nfs/dbraw/zinc/20/13/29/309201329.db2.gz QITZFTILOKAMNQ-QZTJIDSGSA-N 1 0 349.500 3.389 20 5 EGBDRO COC(=O)[C@H]1CC[C@@H]([NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000417325888 309201699 /nfs/dbraw/zinc/20/16/99/309201699.db2.gz FSXRCCRVHGVUPN-VBQJREDUSA-N 1 0 332.400 3.294 20 5 EGBDRO CC(=O)N1CCC[C@H](C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000417334342 309202113 /nfs/dbraw/zinc/20/21/13/309202113.db2.gz RIHRVJCYPUZFLL-DNVCBOLYSA-N 1 0 345.443 3.210 20 5 EGBDRO Cc1cnc(CC[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)cn1 ZINC000417359047 309202846 /nfs/dbraw/zinc/20/28/46/309202846.db2.gz ILWBCLLPWBLSTE-SFHVURJKSA-N 1 0 326.400 3.293 20 5 EGBDRO O=[N+]([O-])c1cc(Br)ccc1NCCC[C@@H]1CCC[NH2+]1 ZINC000420274184 309278899 /nfs/dbraw/zinc/27/88/99/309278899.db2.gz MSIUUQKAFPRNBS-NSHDSACASA-N 1 0 328.210 3.301 20 5 EGBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](C3CCCC3)C2)c2c(c1)COCO2 ZINC000420961071 309304563 /nfs/dbraw/zinc/30/45/63/309304563.db2.gz HVRLZAUCKRKVRY-CQSZACIVSA-N 1 0 332.400 3.473 20 5 EGBDRO Cc1cc(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc(C)n1 ZINC000421853131 309343565 /nfs/dbraw/zinc/34/35/65/309343565.db2.gz IPCUHRXTNLYQBI-HOTGVXAUSA-N 1 0 329.404 3.077 20 5 EGBDRO CCc1ccc([C@@H](NC[C@H]([NH3+])C(C)C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000423265874 309393099 /nfs/dbraw/zinc/39/30/99/309393099.db2.gz DEATYUWIVPRJSH-WMZOPIPTSA-N 1 0 331.416 3.413 20 5 EGBDRO NC[C@H]([NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000423513111 309403845 /nfs/dbraw/zinc/40/38/45/309403845.db2.gz VEAMXDPACOEGIU-JQHSSLGASA-N 1 0 331.460 3.413 20 5 EGBDRO C[NH2+][C@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000435390311 309731523 /nfs/dbraw/zinc/73/15/23/309731523.db2.gz RBTXYHAHDUHFDC-NSHDSACASA-N 1 0 335.791 3.302 20 5 EGBDRO CC(C)c1ccc(C(=O)NCC[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000439420271 309832524 /nfs/dbraw/zinc/83/25/24/309832524.db2.gz YONISJXYELKZHC-UHFFFAOYSA-N 1 0 333.432 3.180 20 5 EGBDRO CC1(C)CCc2ccccc2[C@H]([NH2+]CCn2ccc([N+](=O)[O-])n2)C1 ZINC000440606936 309852610 /nfs/dbraw/zinc/85/26/10/309852610.db2.gz CKZHCYHFQCMUFT-MRXNPFEDSA-N 1 0 328.416 3.485 20 5 EGBDRO O=[N+]([O-])c1cnc(NCc2ccc(C[NH+]3CCCCCC3)cc2)s1 ZINC000443519276 309902550 /nfs/dbraw/zinc/90/25/50/309902550.db2.gz VGNQZWFGHUZRTI-UHFFFAOYSA-N 1 0 346.456 3.461 20 5 EGBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]Cc2ccc(F)cc2F)n1 ZINC000447539084 309981224 /nfs/dbraw/zinc/98/12/24/309981224.db2.gz FLQCVWNGCOXBGL-GJZGRUSLSA-N 1 0 336.342 3.343 20 5 EGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCOc2ccc(F)cc2)n1 ZINC000447539615 309981378 /nfs/dbraw/zinc/98/13/78/309981378.db2.gz HGSSQLZDLPJVMH-JKSUJKDBSA-N 1 0 348.378 3.083 20 5 EGBDRO COc1ccc(-c2ccc(C[N@@H+]3C[C@@H](O)C(C)(C)C3)o2)c([N+](=O)[O-])c1 ZINC000448361478 310002859 /nfs/dbraw/zinc/00/28/59/310002859.db2.gz HSAQWJIPRXSLER-QGZVFWFLSA-N 1 0 346.383 3.066 20 5 EGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](Cc1ccccc1)CN(C)C ZINC000449087184 310036055 /nfs/dbraw/zinc/03/60/55/310036055.db2.gz UTBIQSNSZGOSAZ-VQIMIIECSA-N 1 0 341.455 3.288 20 5 EGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000449105065 310037447 /nfs/dbraw/zinc/03/74/47/310037447.db2.gz CABVZVFYAYXFNW-LBPRGKRZSA-N 1 0 345.365 3.142 20 5 EGBDRO CC(C)NC(=O)[C@@H]1CCC[C@@H]([NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449151550 310040644 /nfs/dbraw/zinc/04/06/44/310040644.db2.gz XZESZACTJKXEFQ-USXIJHARSA-N 1 0 347.459 3.199 20 5 EGBDRO COc1ccc([C@@H](CCO)[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000449200415 310044151 /nfs/dbraw/zinc/04/41/51/310044151.db2.gz DUPKGJOJXWBLBU-RDTXWAMCSA-N 1 0 344.411 3.248 20 5 EGBDRO Cc1cccc(C)c1NC(=O)C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449218193 310045357 /nfs/dbraw/zinc/04/53/57/310045357.db2.gz GFQGXAJLKNCEFB-HNNXBMFYSA-N 1 0 341.411 3.371 20 5 EGBDRO COc1ccc(COCC[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000449253922 310047699 /nfs/dbraw/zinc/04/76/99/310047699.db2.gz VAOPXXLWDYHXJS-OAHLLOKOSA-N 1 0 344.411 3.341 20 5 EGBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1CCCC1(F)F ZINC000449496053 310066794 /nfs/dbraw/zinc/06/67/94/310066794.db2.gz PISMZOVOAXGVOG-NWDGAFQWSA-N 1 0 341.358 3.337 20 5 EGBDRO NC(=O)c1csc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000449499355 310067193 /nfs/dbraw/zinc/06/71/93/310067193.db2.gz LWLSDCJCTMSBTO-CYBMUJFWSA-N 1 0 345.424 3.135 20 5 EGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]([C@H](CO)C1CC1)C1CC1 ZINC000449513431 310068294 /nfs/dbraw/zinc/06/82/94/310068294.db2.gz VXKZBGMESITHCO-XVSDVWIESA-N 1 0 332.444 3.303 20 5 EGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]([C@@H](CO)C1CC1)C1CC1 ZINC000449513428 310068322 /nfs/dbraw/zinc/06/83/22/310068322.db2.gz VXKZBGMESITHCO-FMEYXAORSA-N 1 0 332.444 3.303 20 5 EGBDRO COc1cc(C[N@@H+]2C[C@H](C3CC3)[C@@H]2C2CC2)c([N+](=O)[O-])cc1OC ZINC000449532918 310069729 /nfs/dbraw/zinc/06/97/29/310069729.db2.gz DVJUXYLMPDBGHR-KDOFPFPSSA-N 1 0 332.400 3.232 20 5 EGBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(c2nccc3cc([N+](=O)[O-])ccc32)C[C@@H](C)C1 ZINC000450540979 310128987 /nfs/dbraw/zinc/12/89/87/310128987.db2.gz PQPFUTOWWSZWLT-DEYYWGMASA-N 1 0 340.427 3.310 20 5 EGBDRO C[C@H]1CN(c2ccnc3c2cccc3[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000450548706 310129469 /nfs/dbraw/zinc/12/94/69/310129469.db2.gz SXTQJUWUQNKCRO-CYBMUJFWSA-N 1 0 326.400 3.064 20 5 EGBDRO C[C@@H]1CN(c2ccnc3c2cccc3[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000450548707 310129570 /nfs/dbraw/zinc/12/95/70/310129570.db2.gz SXTQJUWUQNKCRO-ZDUSSCGKSA-N 1 0 326.400 3.064 20 5 EGBDRO Cc1cnc(N2CC[N@H+](Cc3ccccc3)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000450812021 310143668 /nfs/dbraw/zinc/14/36/68/310143668.db2.gz PCWBNHSTUYKQPB-MRXNPFEDSA-N 1 0 340.427 3.257 20 5 EGBDRO Cc1ccnc(N2CC[N@H+](Cc3ccccc3)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000450812684 310143727 /nfs/dbraw/zinc/14/37/27/310143727.db2.gz QPAZBFFVCYCEOE-HNNXBMFYSA-N 1 0 340.427 3.257 20 5 EGBDRO C[C@H]([NH2+]CC(=O)NCCC1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000451103631 310160672 /nfs/dbraw/zinc/16/06/72/310160672.db2.gz IMUACUWCHMARRC-AWEZNQCLSA-N 1 0 333.432 3.332 20 5 EGBDRO C[C@H]([NH2+]CC(=O)N(C)[C@H]1CCCC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000451104063 310160808 /nfs/dbraw/zinc/16/08/08/310160808.db2.gz JMXXISLXIUUZNH-ZQIUZPCESA-N 1 0 333.432 3.283 20 5 EGBDRO C[C@H]([NH2+]CC(=O)N(C)CC1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000451109120 310161045 /nfs/dbraw/zinc/16/10/45/310161045.db2.gz XWIPABQYBAQMBW-AWEZNQCLSA-N 1 0 333.432 3.284 20 5 EGBDRO Cc1cccc(C)c1OC[C@@H](O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000451109767 310161167 /nfs/dbraw/zinc/16/11/67/310161167.db2.gz ZABVZTFHZLAMOH-YJBOKZPZSA-N 1 0 344.411 3.302 20 5 EGBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH2+][C@H]1CCC12CCCC2 ZINC000451463598 310179562 /nfs/dbraw/zinc/17/95/62/310179562.db2.gz XQJBERJDUCTMEM-INIZCTEOSA-N 1 0 345.399 3.205 20 5 EGBDRO Cc1nccn1CCC[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451545985 310184803 /nfs/dbraw/zinc/18/48/03/310184803.db2.gz ILLIXBZLWLNKQR-QGZVFWFLSA-N 1 0 328.416 3.369 20 5 EGBDRO C[C@H](C(=O)N1CCCCC1)[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451547148 310184938 /nfs/dbraw/zinc/18/49/38/310184938.db2.gz KIKYXZGRPSISAN-WBVHZDCISA-N 1 0 345.443 3.175 20 5 EGBDRO COc1cc(C[NH2+][C@@H](C(C)C)[C@H](CO)C(C)C)c([N+](=O)[O-])cc1F ZINC000451591427 310188142 /nfs/dbraw/zinc/18/81/42/310188142.db2.gz DPGKITKGFJXKPZ-DYVFJYSZSA-N 1 0 342.411 3.121 20 5 EGBDRO COc1cc(C[NH2+][C@H](C(C)C)[C@@H](CO)C(C)C)c([N+](=O)[O-])cc1F ZINC000451591429 310188144 /nfs/dbraw/zinc/18/81/44/310188144.db2.gz DPGKITKGFJXKPZ-SUMWQHHRSA-N 1 0 342.411 3.121 20 5 EGBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@]2(CCSC2)C1 ZINC000451982666 310206518 /nfs/dbraw/zinc/20/65/18/310206518.db2.gz TYMIAHDBHJTQKQ-DYVFJYSZSA-N 1 0 349.456 3.141 20 5 EGBDRO CNC(=O)C[C@H](C)[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000453376071 310273683 /nfs/dbraw/zinc/27/36/83/310273683.db2.gz PIMRFCIBSNDYOC-RYUDHWBXSA-N 1 0 347.440 3.499 20 5 EGBDRO C[C@H](CNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC[C@H]1C ZINC000454261494 310299960 /nfs/dbraw/zinc/29/99/60/310299960.db2.gz RDHZHCRVLKXXPA-KFWWJZLASA-N 1 0 348.447 3.218 20 5 EGBDRO C[C@H]([NH2+]C[C@](C)(CO)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000478184235 310855787 /nfs/dbraw/zinc/85/57/87/310855787.db2.gz XQKHOSXOIXABLR-HNAYVOBHSA-N 1 0 328.412 3.487 20 5 EGBDRO CC[NH+]1CCC(Nc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC1 ZINC000485411080 310977395 /nfs/dbraw/zinc/97/73/95/310977395.db2.gz VRIRGLPRTIMGAK-UHFFFAOYSA-N 1 0 344.390 3.114 20 5 EGBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)C[C@@H](C)C1 ZINC000488727141 311076693 /nfs/dbraw/zinc/07/66/93/311076693.db2.gz ATYCFVRBPMZCES-PMUMKWKESA-N 1 0 340.427 3.310 20 5 EGBDRO C[C@@H]1CCCC[C@@H]1NC(=O)CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000490831551 311154211 /nfs/dbraw/zinc/15/42/11/311154211.db2.gz YMNLNEIARROJHZ-KDOFPFPSSA-N 1 0 345.443 3.254 20 5 EGBDRO CCOC(=O)N(C)C1CC[NH+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000491007248 311160458 /nfs/dbraw/zinc/16/04/58/311160458.db2.gz HSOAWBFLNMAHLD-ZDUSSCGKSA-N 1 0 335.404 3.209 20 5 EGBDRO CC(C)[NH+]1CCC(N(C)C(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000491389294 311176677 /nfs/dbraw/zinc/17/66/77/311176677.db2.gz WDXMRXBAZVZQDL-ALCCZGGFSA-N 1 0 349.406 3.078 20 5 EGBDRO CCC[N@H+](CC)CCNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000491392900 311176859 /nfs/dbraw/zinc/17/68/59/311176859.db2.gz DGCHBVRQRFPPFP-UHFFFAOYSA-N 1 0 348.447 3.001 20 5 EGBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])C[C@@H]1C ZINC000491913638 311198078 /nfs/dbraw/zinc/19/80/78/311198078.db2.gz LTNCTXNRJOYSGK-KTTMOXOYSA-N 1 0 349.406 3.078 20 5 EGBDRO CCC[C@@H]([NH2+]CCN1CCO[C@@H](CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000494449326 311479390 /nfs/dbraw/zinc/47/93/90/311479390.db2.gz IHHBMKCFRMSZPH-ZWKOTPCHSA-N 1 0 335.448 3.136 20 5 EGBDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000496503590 311722330 /nfs/dbraw/zinc/72/23/30/311722330.db2.gz CHJDECLROPWGMG-SWLSCSKDSA-N 1 0 347.415 3.181 20 5 EGBDRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000501208555 311940925 /nfs/dbraw/zinc/94/09/25/311940925.db2.gz KFQFINWXNVHFPV-HNNXBMFYSA-N 1 0 347.459 3.253 20 5 EGBDRO CCOc1ccc([C@@H](C)[NH2+]CCN2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000504893849 312012096 /nfs/dbraw/zinc/01/20/96/312012096.db2.gz INNFGFRQBRPACD-LSDHHAIUSA-N 1 0 335.448 3.376 20 5 EGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](C1CC1)N(C)C ZINC000504911525 312012649 /nfs/dbraw/zinc/01/26/49/312012649.db2.gz HUGKBCBSOBQIRG-HOCLYGCPSA-N 1 0 337.489 3.395 20 5 EGBDRO CCC[NH+]1CCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC1 ZINC000509695054 312123720 /nfs/dbraw/zinc/12/37/20/312123720.db2.gz WUYAKHZWIRGXDO-UHFFFAOYSA-N 1 0 344.390 3.328 20 5 EGBDRO CCc1ccc([C@@H]2CCC[N@H+](CCn3ccc([N+](=O)[O-])n3)C2)cc1 ZINC000513400069 312208895 /nfs/dbraw/zinc/20/88/95/312208895.db2.gz AHRZERZDZZNXMQ-QGZVFWFLSA-N 1 0 328.416 3.233 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCO[C@H](c2ccnn2C)C1 ZINC000514712385 312240428 /nfs/dbraw/zinc/24/04/28/312240428.db2.gz YXLZBIQCBNOHNB-IYOUNJFTSA-N 1 0 344.415 3.208 20 5 EGBDRO C[C@H](C(=O)Nc1ccc(CC[NH+](C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000514834701 312248005 /nfs/dbraw/zinc/24/80/05/312248005.db2.gz ZWDBHVPWUDESMI-AWEZNQCLSA-N 1 0 341.411 3.441 20 5 EGBDRO CC(C)(C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000515166664 312268831 /nfs/dbraw/zinc/26/88/31/312268831.db2.gz ZCFFFLGZFAJZTA-HNNXBMFYSA-N 1 0 336.432 3.141 20 5 EGBDRO CC(C)C[C@@H]1C[C@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000516966617 312355314 /nfs/dbraw/zinc/35/53/14/312355314.db2.gz WBTNYOXHNAVFOW-HUUCEWRRSA-N 1 0 349.431 3.107 20 5 EGBDRO CC[C@@H]([NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000531981182 313738644 /nfs/dbraw/zinc/73/86/44/313738644.db2.gz LORIGJWNEGSACL-SUMWQHHRSA-N 1 0 349.431 3.107 20 5 EGBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2N2CCOCC2)cccc1[N+](=O)[O-] ZINC000532248677 313774591 /nfs/dbraw/zinc/77/45/91/313774591.db2.gz AUVSRCWUHDMJCM-WDYCEAGBSA-N 1 0 347.459 3.197 20 5 EGBDRO C[C@@H]1CN(C)CC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000537627727 314197850 /nfs/dbraw/zinc/19/78/50/314197850.db2.gz CSBWDKZKZDNOJF-CYBMUJFWSA-N 1 0 331.441 3.459 20 5 EGBDRO COc1ccc([C@H](C)[NH2+]CC(=O)Nc2c(C)cccc2[N+](=O)[O-])cc1 ZINC000538130700 314228085 /nfs/dbraw/zinc/22/80/85/314228085.db2.gz JIWMFXKRONNAFM-ZDUSSCGKSA-N 1 0 343.383 3.201 20 5 EGBDRO CCc1ccc(CNC(=O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000538180624 314231110 /nfs/dbraw/zinc/23/11/10/314231110.db2.gz WAASWNUNDLJQDU-LBPRGKRZSA-N 1 0 347.440 3.186 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000538761285 314273919 /nfs/dbraw/zinc/27/39/19/314273919.db2.gz VGAZJNQWSURRIT-IUODEOHRSA-N 1 0 347.459 3.370 20 5 EGBDRO CCc1nn(C)c(NC[C@H](c2ccc(CC)cc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000539889425 314349610 /nfs/dbraw/zinc/34/96/10/314349610.db2.gz JUEGVHWXEBUOMF-MRXNPFEDSA-N 1 0 345.447 3.168 20 5 EGBDRO CC(C)n1cc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cn1 ZINC000542572656 314559458 /nfs/dbraw/zinc/55/94/58/314559458.db2.gz BLZHCUIMZORPDK-QWHCGFSZSA-N 1 0 345.403 3.050 20 5 EGBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H](O)CCc1ccccc1 ZINC000548935476 315063870 /nfs/dbraw/zinc/06/38/70/315063870.db2.gz MVCSKGHJWZHJKU-LJQANCHMSA-N 1 0 328.412 3.063 20 5 EGBDRO COCC1([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCOCC1 ZINC000552074130 315195477 /nfs/dbraw/zinc/19/54/77/315195477.db2.gz BWAOYWVASZMAKA-UHFFFAOYSA-N 1 0 346.383 3.140 20 5 EGBDRO CCN(CC[NH+]1CCCCCC1)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000562294238 315813713 /nfs/dbraw/zinc/81/37/13/315813713.db2.gz KOEWWZKMWRNBLR-UHFFFAOYSA-N 1 0 348.447 3.002 20 5 EGBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]Cc2cc(F)ccc2F)n1 ZINC000564813367 316210404 /nfs/dbraw/zinc/21/04/04/316210404.db2.gz HXZKDLUCSRBLSC-CABCVRRESA-N 1 0 336.342 3.343 20 5 EGBDRO CCCC[N@H+](C)C[C@H](C)Nc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000570194810 317020941 /nfs/dbraw/zinc/02/09/41/317020941.db2.gz PHPHLTTWYRXHTC-ZDUSSCGKSA-N 1 0 348.447 3.019 20 5 EGBDRO CC[N@@H+]1CCC[C@@H]1CN[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000570456394 317058149 /nfs/dbraw/zinc/05/81/49/317058149.db2.gz VSMRUGPATBIBOL-KGLIPLIRSA-N 1 0 331.338 3.272 20 5 EGBDRO Cc1cccc(OCC[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000570514460 317066971 /nfs/dbraw/zinc/06/69/71/317066971.db2.gz JKWZHRQMFVHYHF-DLBZAZTESA-N 1 0 344.415 3.252 20 5 EGBDRO C[C@]1(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCO[C@@H]1C1CC1 ZINC000571372466 317189096 /nfs/dbraw/zinc/18/90/96/317189096.db2.gz FBTKISAORRPJLT-CYGHRXIMSA-N 1 0 348.447 3.070 20 5 EGBDRO CC(C)(C)N1CC[C@H]([NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1=O ZINC000571560810 317216705 /nfs/dbraw/zinc/21/67/05/317216705.db2.gz HGTPIVNBYINLDF-HOTGVXAUSA-N 1 0 345.443 3.306 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCC[C@H](N2CCCC2=O)C1 ZINC000572059902 317285213 /nfs/dbraw/zinc/28/52/13/317285213.db2.gz KTQMGPBXZBSGBC-XHSDSOJGSA-N 1 0 345.443 3.487 20 5 EGBDRO C[C@@H]1OCC[C@@]1(C)[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000235447822 456152995 /nfs/dbraw/zinc/15/29/95/456152995.db2.gz XPCQCRLOCHHIHH-TVQRCGJNSA-N 1 0 329.194 3.014 20 5 EGBDRO O=[N+]([O-])c1ccccc1OCC[NH2+][C@H](CCCO)c1ccccc1 ZINC000179750123 323403523 /nfs/dbraw/zinc/40/35/23/323403523.db2.gz PRKFUHPZDHIFNI-MRXNPFEDSA-N 1 0 330.384 3.077 20 5 EGBDRO CCCC[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(OC)cc1 ZINC000182139312 323528379 /nfs/dbraw/zinc/52/83/79/323528379.db2.gz JFHJNFQMIRDCFU-KRWDZBQOSA-N 1 0 332.404 3.321 20 5 EGBDRO C[C@@H]1[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCN1Cc1ccccc1 ZINC000380041309 324242946 /nfs/dbraw/zinc/24/29/46/324242946.db2.gz SBIIBTROYVRIFR-BEFAXECRSA-N 1 0 325.412 3.347 20 5 EGBDRO CN(C)[C@H](C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccccc1 ZINC000575136873 324425716 /nfs/dbraw/zinc/42/57/16/324425716.db2.gz MMGITLZNHMZWIX-IEBWSBKVSA-N 1 0 325.412 3.475 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCC3(CC[NH2+]C3)CC2)cc1C(F)(F)F ZINC000578731514 325010315 /nfs/dbraw/zinc/01/03/15/325010315.db2.gz CIKXNIMCAZQWQU-UHFFFAOYSA-N 1 0 329.322 3.194 20 5 EGBDRO CC[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)[C@H](C)C1 ZINC000581446391 325362155 /nfs/dbraw/zinc/36/21/55/325362155.db2.gz TYHPGKKRNNFVHH-CYBMUJFWSA-N 1 0 344.390 3.326 20 5 EGBDRO C[C@H]1CC(CC[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000583139933 325498408 /nfs/dbraw/zinc/49/84/08/325498408.db2.gz GIDNUAVLOAGULB-KBPBESRZSA-N 1 0 349.431 3.107 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCSCC(F)(F)F ZINC000354290835 457176272 /nfs/dbraw/zinc/17/62/72/457176272.db2.gz YKBXJRFDKJSKBZ-UHFFFAOYSA-N 1 0 338.351 3.379 20 5 EGBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000189957634 455260612 /nfs/dbraw/zinc/26/06/12/455260612.db2.gz WHSYEAMJIUJWCR-CQSZACIVSA-N 1 0 333.432 3.132 20 5 EGBDRO C[NH+](C)Cc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000007923971 453133237 /nfs/dbraw/zinc/13/32/37/453133237.db2.gz XCJZSXLHHSCMBY-UHFFFAOYSA-N 1 0 347.802 3.240 20 5 EGBDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000008350965 453196373 /nfs/dbraw/zinc/19/63/73/453196373.db2.gz UMZNPQSMMBACGK-LBPRGKRZSA-N 1 0 339.823 3.243 20 5 EGBDRO C[N@H+](CCCNc1nc2sccn2c1[N+](=O)[O-])Cc1ccccc1 ZINC000008376557 453198919 /nfs/dbraw/zinc/19/89/19/453198919.db2.gz UOYVNWWJVITHPO-UHFFFAOYSA-N 1 0 345.428 3.238 20 5 EGBDRO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1COc2ccccc2O1 ZINC000025944765 453790523 /nfs/dbraw/zinc/79/05/23/453790523.db2.gz CZGGWZOVWMQLMB-MRXNPFEDSA-N 1 0 328.368 3.257 20 5 EGBDRO COc1ccc(NC(=O)C[NH+](CC(C)C)CC(C)C)c([N+](=O)[O-])c1 ZINC000026647044 453803316 /nfs/dbraw/zinc/80/33/16/453803316.db2.gz WLHGKPXTINEHJH-UHFFFAOYSA-N 1 0 337.420 3.156 20 5 EGBDRO CC1CC[NH+](Cc2ccc(CNc3c([N+](=O)[O-])ncn3C)cc2)CC1 ZINC000029529461 453829666 /nfs/dbraw/zinc/82/96/66/453829666.db2.gz INFIQKNBCUIGEV-UHFFFAOYSA-N 1 0 343.431 3.172 20 5 EGBDRO O=[N+]([O-])c1ccccc1NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000029998577 453833276 /nfs/dbraw/zinc/83/32/76/453833276.db2.gz PJSQFNWCWXZYGD-UHFFFAOYSA-N 1 0 340.427 3.219 20 5 EGBDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000053753328 453895335 /nfs/dbraw/zinc/89/53/35/453895335.db2.gz IJFVAFUSAZNEKN-ZDUSSCGKSA-N 1 0 334.420 3.227 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000067165521 453908475 /nfs/dbraw/zinc/90/84/75/453908475.db2.gz XZDBSBWNVNFVMU-GASCZTMLSA-N 1 0 347.459 3.391 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H]([NH+](C)C)Cc2ccccc21 ZINC000067207441 453911023 /nfs/dbraw/zinc/91/10/23/453911023.db2.gz JIJCDFUICCFPTA-MRXNPFEDSA-N 1 0 339.395 3.036 20 5 EGBDRO Cc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2C)[NH+](C)C)cc1 ZINC000067266891 453915702 /nfs/dbraw/zinc/91/57/02/453915702.db2.gz BUEPQWBXGHXNKZ-GOSISDBHSA-N 1 0 341.411 3.244 20 5 EGBDRO Cc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2F)[NH+](C)C)cc1 ZINC000067267216 453916088 /nfs/dbraw/zinc/91/60/88/453916088.db2.gz QISWZTUZXQKQNX-KRWDZBQOSA-N 1 0 345.374 3.075 20 5 EGBDRO C[C@@H](C[NH+]1CCCCC1)Nc1ncc(Br)cc1[N+](=O)[O-] ZINC000042322217 454005746 /nfs/dbraw/zinc/00/57/46/454005746.db2.gz YGFKQTWLNMEFJP-JTQLQIEISA-N 1 0 343.225 3.039 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC([NH2+]C(C)C)CC1 ZINC000085638540 454035971 /nfs/dbraw/zinc/03/59/71/454035971.db2.gz DATOKZYHZBSWQM-UHFFFAOYSA-N 1 0 334.420 3.206 20 5 EGBDRO Cc1ccc(CNC(=O)[C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000056196599 454043575 /nfs/dbraw/zinc/04/35/75/454043575.db2.gz GWNABAZVRHEBFA-HUUCEWRRSA-N 1 0 341.411 3.259 20 5 EGBDRO O=[N+]([O-])c1ccc(NC[C@H]2CC[N@@H+](C3CC3)C2)c(Br)c1 ZINC000043596569 454069685 /nfs/dbraw/zinc/06/96/85/454069685.db2.gz ZNJCZBQSEPOSJH-SNVBAGLBSA-N 1 0 340.221 3.254 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](CCC(C)C)C1CC1 ZINC000044898434 454125063 /nfs/dbraw/zinc/12/50/63/454125063.db2.gz IEAHMMUYMHZHEZ-UHFFFAOYSA-N 1 0 335.404 3.052 20 5 EGBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1nc2sccn2c1[N+](=O)[O-] ZINC000058179264 454168634 /nfs/dbraw/zinc/16/86/34/454168634.db2.gz BASXIAGOQRVNSQ-IJLUTSLNSA-N 1 0 337.449 3.082 20 5 EGBDRO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000070906357 454184243 /nfs/dbraw/zinc/18/42/43/454184243.db2.gz FLJORJFYGMSWER-UHFFFAOYSA-N 1 0 345.399 3.172 20 5 EGBDRO O=[N+]([O-])c1ccccc1N1CC[NH+](CCCc2ccccc2)CC1 ZINC000058339093 454188690 /nfs/dbraw/zinc/18/86/90/454188690.db2.gz XJGYWCNIFCTHBP-UHFFFAOYSA-N 1 0 325.412 3.350 20 5 EGBDRO COc1ccccc1[C@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000095972796 454245250 /nfs/dbraw/zinc/24/52/50/454245250.db2.gz RGARDTOEAQGRNH-YJBOKZPZSA-N 1 0 342.395 3.126 20 5 EGBDRO CC[NH+](CC)[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000060157235 454271236 /nfs/dbraw/zinc/27/12/36/454271236.db2.gz SXSAODUOUXXMKH-HNNXBMFYSA-N 1 0 331.372 3.001 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCCOC1CCOCC1)C1CC1 ZINC000090082765 454274865 /nfs/dbraw/zinc/27/48/65/454274865.db2.gz HPOQFRRYTCVSJB-GOSISDBHSA-N 1 0 348.443 3.091 20 5 EGBDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000060566520 454302753 /nfs/dbraw/zinc/30/27/53/454302753.db2.gz CSSJGCZZIIMOMI-LBPRGKRZSA-N 1 0 325.434 3.041 20 5 EGBDRO C[C@H]([NH2+][C@@H]1CCN(C2CCCCC2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000090464356 454309540 /nfs/dbraw/zinc/30/95/40/454309540.db2.gz QXYULSJCJRBUQD-SUMWQHHRSA-N 1 0 331.416 3.179 20 5 EGBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H](CC)Cc1ccc([N+](=O)[O-])cc1 ZINC000184726738 455436949 /nfs/dbraw/zinc/43/69/49/455436949.db2.gz DSHDVUHKZJCLBG-ZBFHGGJFSA-N 1 0 335.448 3.010 20 5 EGBDRO CCC[NH+]1CCC(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 ZINC000061031393 454325184 /nfs/dbraw/zinc/32/51/84/454325184.db2.gz CHTXFYJCNOSBFC-UHFFFAOYSA-N 1 0 347.440 3.414 20 5 EGBDRO Cc1cccc(C(=O)NCCCC[N@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000047187764 454337905 /nfs/dbraw/zinc/33/79/05/454337905.db2.gz CDORBUFCHMJMMN-OAHLLOKOSA-N 1 0 333.432 3.288 20 5 EGBDRO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@H](C)CC2)c([N+](=O)[O-])c1 ZINC000063309335 454404615 /nfs/dbraw/zinc/40/46/15/454404615.db2.gz HDZZODODTIHIJJ-ZDUSSCGKSA-N 1 0 335.404 3.054 20 5 EGBDRO C[C@]1(c2ccccc2)CN(Cc2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000121519300 454446091 /nfs/dbraw/zinc/44/60/91/454446091.db2.gz NNPQRHWVKQRWEH-GOSISDBHSA-N 1 0 330.359 3.482 20 5 EGBDRO Cc1cc(C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000122508938 454540550 /nfs/dbraw/zinc/54/05/50/454540550.db2.gz BCEMIOKQBRXRFE-KRWDZBQOSA-N 1 0 345.374 3.075 20 5 EGBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H]([NH+](CC)CC)C1 ZINC000184830523 455455506 /nfs/dbraw/zinc/45/55/06/455455506.db2.gz ULNLBLSZRHXGLA-SJLPKXTDSA-N 1 0 347.459 3.106 20 5 EGBDRO Cc1cc(NC[C@H](C)[N@@H+]2CCc3sccc3C2)ncc1[N+](=O)[O-] ZINC000080598051 454604654 /nfs/dbraw/zinc/60/46/54/454604654.db2.gz WBJODLVYTUAVOJ-LBPRGKRZSA-N 1 0 332.429 3.218 20 5 EGBDRO C[NH+](C)C1(CNc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CCOCC1 ZINC000080639807 454609990 /nfs/dbraw/zinc/60/99/90/454609990.db2.gz DYKJHEZPXZCMOJ-UHFFFAOYSA-N 1 0 347.337 3.136 20 5 EGBDRO Cc1ccccc1C[N@@H+]1CCCN(c2cc(C)c([N+](=O)[O-])cn2)CC1 ZINC000074740294 454628230 /nfs/dbraw/zinc/62/82/30/454628230.db2.gz AGXRRJOLAPRAEE-UHFFFAOYSA-N 1 0 340.427 3.319 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CCC[C@@H](CCO)C2)o1 ZINC000093106410 454682588 /nfs/dbraw/zinc/68/25/88/454682588.db2.gz LOUDIMSXOOQBSU-AWEZNQCLSA-N 1 0 330.384 3.449 20 5 EGBDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000081127194 454690215 /nfs/dbraw/zinc/69/02/15/454690215.db2.gz UDXOXSXPSRLYPH-AWEZNQCLSA-N 1 0 345.424 3.003 20 5 EGBDRO CCc1ccc(C2=CC[N@H+](CCn3cc([N+](=O)[O-])cn3)CC2)cc1 ZINC000093262827 454697105 /nfs/dbraw/zinc/69/71/05/454697105.db2.gz RJNQAZIAJLZGDW-UHFFFAOYSA-N 1 0 326.400 3.143 20 5 EGBDRO C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C[C@H]1n1ccnc1 ZINC000124796676 454770217 /nfs/dbraw/zinc/77/02/17/454770217.db2.gz YVTCIVRRAAPUSL-XHDPSFHLSA-N 1 0 348.790 3.168 20 5 EGBDRO C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C[C@H]1n1ccnc1 ZINC000124796450 454770414 /nfs/dbraw/zinc/77/04/14/454770414.db2.gz YVTCIVRRAAPUSL-IAQYHMDHSA-N 1 0 348.790 3.168 20 5 EGBDRO CC(C)N(C(=O)CN(Cc1cccc([N+](=O)[O-])c1)C1CC1)C(C)C ZINC000153230971 454772803 /nfs/dbraw/zinc/77/28/03/454772803.db2.gz IUAXXJCGVJMJOS-UHFFFAOYSA-N 1 0 333.432 3.205 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CC[C@@H]4CCCC[C@@H]43)o2)cc1 ZINC000160562647 455474722 /nfs/dbraw/zinc/47/47/22/455474722.db2.gz QMVWYUXBQCOFQU-WFASDCNBSA-N 1 0 328.372 3.409 20 5 EGBDRO CC[C@@H]([NH2+]CCNC(=O)CC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000153674981 454819847 /nfs/dbraw/zinc/81/98/47/454819847.db2.gz ZTWUMGKSPSBGOP-QGZVFWFLSA-N 1 0 333.432 3.332 20 5 EGBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+](Cc1ccco1)C[C@@H]1CCCO1 ZINC000141821831 454831709 /nfs/dbraw/zinc/83/17/09/454831709.db2.gz QKAPUVPXWHUAAT-INIZCTEOSA-N 1 0 346.383 3.248 20 5 EGBDRO C[C@@H](C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)[NH+]1CCCCCC1 ZINC000153979887 454853931 /nfs/dbraw/zinc/85/39/31/454853931.db2.gz DGEWKXLBWRROLW-HNNXBMFYSA-N 1 0 345.443 3.350 20 5 EGBDRO CCc1ccc(C(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)cc1[N+](=O)[O-] ZINC000163628831 454859557 /nfs/dbraw/zinc/85/95/57/454859557.db2.gz BRCHYUMHLSLULD-OAHLLOKOSA-N 1 0 347.459 3.255 20 5 EGBDRO C[C@H]1C[C@@H](N(C)c2ncccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000150875441 454906321 /nfs/dbraw/zinc/90/63/21/454906321.db2.gz JEGNWJXQZKLCSR-RDJZCZTQSA-N 1 0 340.427 3.479 20 5 EGBDRO CC[C@H]([NH2+]C[C@H](O)COc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000177797763 454906707 /nfs/dbraw/zinc/90/67/07/454906707.db2.gz NZXBAIPJDKMXQA-WMZOPIPTSA-N 1 0 330.384 3.075 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CCCn3ccnc3)cs2)c1 ZINC000113311846 454922256 /nfs/dbraw/zinc/92/22/56/454922256.db2.gz LVKNLPUKIQCWEY-UHFFFAOYSA-N 1 0 343.412 3.095 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(NC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000177999382 454925642 /nfs/dbraw/zinc/92/56/42/454925642.db2.gz DTEWYAAPSUXDQL-UHFFFAOYSA-N 1 0 326.400 3.375 20 5 EGBDRO CC(C)[N@@H+]1CCC[C@@H](CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000170640046 454946583 /nfs/dbraw/zinc/94/65/83/454946583.db2.gz WICLHTJENBZFBA-ZDUSSCGKSA-N 1 0 346.431 3.012 20 5 EGBDRO C[C@](O)(C[NH2+]Cc1csc([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000185114848 455504427 /nfs/dbraw/zinc/50/44/27/455504427.db2.gz FPMQQHVJOHGSGI-AWEZNQCLSA-N 1 0 326.805 3.307 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@](O)(c2ccccc2)C(F)(F)F)cc1 ZINC000170790877 454978608 /nfs/dbraw/zinc/97/86/08/454978608.db2.gz VFTUOXYJUQATOV-OAHLLOKOSA-N 1 0 340.301 3.135 20 5 EGBDRO O=C(C[NH+](CC1CC1)CC1CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000115563905 455021292 /nfs/dbraw/zinc/02/12/92/455021292.db2.gz YCPKZQWPGKZGSO-UHFFFAOYSA-N 1 0 337.807 3.309 20 5 EGBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2cnn(C)c2C)cc1[N+](=O)[O-] ZINC000179399164 455044654 /nfs/dbraw/zinc/04/46/54/455044654.db2.gz LFLIRWPXGPAXTP-NEPJUHHUSA-N 1 0 332.404 3.447 20 5 EGBDRO Cc1cc(C(=O)NC[C@H]([NH3+])c2ccc(C(C)C)cc2)ccc1[N+](=O)[O-] ZINC000151978174 455056661 /nfs/dbraw/zinc/05/66/61/455056661.db2.gz FFJVREMHQNNSSX-KRWDZBQOSA-N 1 0 341.411 3.456 20 5 EGBDRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000156825118 455152057 /nfs/dbraw/zinc/15/20/57/455152057.db2.gz KAUDTFUQFJQUAT-UHFFFAOYSA-N 1 0 329.356 3.344 20 5 EGBDRO C[C@H](NC(=O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000180436851 455170213 /nfs/dbraw/zinc/17/02/13/455170213.db2.gz MPYVKDRVKZSDCQ-KBPBESRZSA-N 1 0 327.384 3.123 20 5 EGBDRO CCOc1ccccc1NC(=O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180436807 455170507 /nfs/dbraw/zinc/17/05/07/455170507.db2.gz MUVUTJPTCUPKEG-CYBMUJFWSA-N 1 0 343.383 3.283 20 5 EGBDRO C[C@H]([NH2+]CC(=O)N(C1CC1)C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000180455137 455172346 /nfs/dbraw/zinc/17/23/46/455172346.db2.gz KIOAKNIFMKFWSU-ZDUSSCGKSA-N 1 0 331.416 3.179 20 5 EGBDRO O=[N+]([O-])c1ccc(Cl)c(CN2CCCN(CC(F)F)CC2)c1 ZINC000180578098 455201132 /nfs/dbraw/zinc/20/11/32/455201132.db2.gz OGIMQODDYCXCGV-UHFFFAOYSA-N 1 0 333.766 3.021 20 5 EGBDRO C[C@H]([NH2+]CCCNC(=O)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000173405839 455279700 /nfs/dbraw/zinc/27/97/00/455279700.db2.gz UWQKTBVPOLDQNC-ZDUSSCGKSA-N 1 0 345.374 3.205 20 5 EGBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000182200341 455459549 /nfs/dbraw/zinc/45/95/49/455459549.db2.gz JWDBVEKXIAFROJ-DLBZAZTESA-N 1 0 342.395 3.172 20 5 EGBDRO CCc1ccc(C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000266893699 455470811 /nfs/dbraw/zinc/47/08/11/455470811.db2.gz FYBWLDNPRNJGKF-MRXNPFEDSA-N 1 0 333.432 3.104 20 5 EGBDRO CS[C@@H]1CCCC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000246426519 455488659 /nfs/dbraw/zinc/48/86/59/455488659.db2.gz CKCYRQOUXTWGAW-SWLSCSKDSA-N 1 0 337.445 3.139 20 5 EGBDRO C[NH+](C)CCCOC1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000267208405 455516183 /nfs/dbraw/zinc/51/61/83/455516183.db2.gz QBQVTGIOXMNHRK-UHFFFAOYSA-N 1 0 341.839 3.185 20 5 EGBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000267356878 455545621 /nfs/dbraw/zinc/54/56/21/455545621.db2.gz HIFFEWJRLRCFKM-LBPRGKRZSA-N 1 0 339.823 3.195 20 5 EGBDRO Cc1ccc([C@@H](CNC(=O)c2c(F)cccc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000601020435 460677294 /nfs/dbraw/zinc/67/72/94/460677294.db2.gz PIVPICARGHOXSR-MRXNPFEDSA-N 1 0 345.374 3.075 20 5 EGBDRO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185692870 455597955 /nfs/dbraw/zinc/59/79/55/455597955.db2.gz YOPNAVZWRRSZGT-JKSUJKDBSA-N 1 0 347.459 3.216 20 5 EGBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1Nc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000271344985 455605570 /nfs/dbraw/zinc/60/55/70/455605570.db2.gz NBEBQTUYKNSCEP-SKDRFNHKSA-N 1 0 327.331 3.091 20 5 EGBDRO C[C@H](c1cccc(O)c1)N(C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000283932417 455612989 /nfs/dbraw/zinc/61/29/89/455612989.db2.gz CRMPULCZSABTAA-LLVKDONJSA-N 1 0 331.328 3.402 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCC[C@H]4CCC[C@H]43)o2)cc1 ZINC000247565094 455625890 /nfs/dbraw/zinc/62/58/90/455625890.db2.gz RDZCVJUSFGMMIR-IUODEOHRSA-N 1 0 328.372 3.409 20 5 EGBDRO Cc1ccc(C[N@@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)cc1[N+](=O)[O-] ZINC000271424491 455632215 /nfs/dbraw/zinc/63/22/15/455632215.db2.gz ZZSAZOUVUBARAC-OAHLLOKOSA-N 1 0 341.415 3.278 20 5 EGBDRO C[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)[C@H](c1ccccc1)[NH+](C)C ZINC000185941781 455658930 /nfs/dbraw/zinc/65/89/30/455658930.db2.gz WDKXURKCUGKSDV-SUMWQHHRSA-N 1 0 342.399 3.408 20 5 EGBDRO C[C@](O)(C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000271523335 455671261 /nfs/dbraw/zinc/67/12/61/455671261.db2.gz OSXBIQZWITWZSL-LNSITVRQSA-N 1 0 346.349 3.209 20 5 EGBDRO C[C@H](C[NH+]1CCCCCC1)NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000186112752 455695600 /nfs/dbraw/zinc/69/56/00/455695600.db2.gz VVCGOQKKTREMRN-OAHLLOKOSA-N 1 0 348.447 3.001 20 5 EGBDRO O=C(c1cc2ccccc2c2cccnc12)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000292637419 455718024 /nfs/dbraw/zinc/71/80/24/455718024.db2.gz ZJFUIUCOMSQOQV-BEFAXECRSA-N 1 0 331.419 3.212 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c1 ZINC000268932253 455735372 /nfs/dbraw/zinc/73/53/72/455735372.db2.gz CMPPUJZKUZFYLG-MSOLQXFVSA-N 1 0 333.432 3.083 20 5 EGBDRO CC(=O)Nc1cccc([C@@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])c1 ZINC000268964617 455746089 /nfs/dbraw/zinc/74/60/89/455746089.db2.gz WRILAJOLOAHYMW-CYBMUJFWSA-N 1 0 327.384 3.447 20 5 EGBDRO C[N@@H+]1CCC[C@]2(CCN(c3ccc([N+](=O)[O-])c4cnccc43)C2)C1 ZINC000292763709 455751043 /nfs/dbraw/zinc/75/10/43/455751043.db2.gz KLSJPWIDSILWHR-SFHVURJKSA-N 1 0 326.400 3.065 20 5 EGBDRO COc1cc(C[NH2+][C@H]2CCCO[C@H]2CC(C)C)c([N+](=O)[O-])cc1F ZINC000186400992 455760758 /nfs/dbraw/zinc/76/07/58/455760758.db2.gz KFAQLAOUZRTZNP-YOEHRIQHSA-N 1 0 340.395 3.426 20 5 EGBDRO C[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1ccc([S@](C)=O)cc1 ZINC000271796130 455762916 /nfs/dbraw/zinc/76/29/16/455762916.db2.gz KBGRGPAFSQNYFX-RZFZLAGVSA-N 1 0 348.424 3.062 20 5 EGBDRO Cc1cc(NC(=O)NC[C@@H](c2cccs2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000193542303 455763764 /nfs/dbraw/zinc/76/37/64/455763764.db2.gz BWCDZHODHNHLOH-AWEZNQCLSA-N 1 0 348.428 3.389 20 5 EGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1COC2(CCCC2)O1 ZINC000271805319 455767400 /nfs/dbraw/zinc/76/74/00/455767400.db2.gz YFSLQLANENUTLB-GDBMZVCRSA-N 1 0 334.416 3.191 20 5 EGBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000249751059 455773029 /nfs/dbraw/zinc/77/30/29/455773029.db2.gz AYKMQNGGDKWCDP-ILXRZTDVSA-N 1 0 348.447 3.075 20 5 EGBDRO Cc1nc2ccccc2n1CC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285126338 455793023 /nfs/dbraw/zinc/79/30/23/455793023.db2.gz LHIGNAJWRVOQLM-LBPRGKRZSA-N 1 0 339.399 3.186 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000194409198 455839104 /nfs/dbraw/zinc/83/91/04/455839104.db2.gz KMDNCGXHRJPHSP-GJZGRUSLSA-N 1 0 347.459 3.391 20 5 EGBDRO CCO[C@H](C[NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-])c1ccccc1 ZINC000194460413 455845316 /nfs/dbraw/zinc/84/53/16/455845316.db2.gz PIGNJVJIAUVUBW-GOSISDBHSA-N 1 0 346.383 3.176 20 5 EGBDRO Cc1ccc2c(c1)CN(Cc1nc3cc([N+](=O)[O-])ccc3o1)CCO2 ZINC000285628818 455885120 /nfs/dbraw/zinc/88/51/20/455885120.db2.gz RCAHOBWGFVSNDN-UHFFFAOYSA-N 1 0 339.351 3.439 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000187249959 455887311 /nfs/dbraw/zinc/88/73/11/455887311.db2.gz NKXJYLUMLZFURD-KDOFPFPSSA-N 1 0 341.411 3.324 20 5 EGBDRO COCC[C@H](NCc1c(F)cc([N+](=O)[O-])cc1F)c1ccco1 ZINC000285701704 455898914 /nfs/dbraw/zinc/89/89/14/455898914.db2.gz RTMVJEMQWQHWOP-AWEZNQCLSA-N 1 0 326.299 3.333 20 5 EGBDRO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000272450071 455955468 /nfs/dbraw/zinc/95/54/68/455955468.db2.gz JKNMKBBWQCXNGZ-KGLIPLIRSA-N 1 0 349.431 3.330 20 5 EGBDRO O=[N+]([O-])c1cnc(N2CCC[N@H+](CCCc3ccccc3)CC2)s1 ZINC000195512511 455973844 /nfs/dbraw/zinc/97/38/44/455973844.db2.gz JMAPRBJYHZTLFH-UHFFFAOYSA-N 1 0 346.456 3.196 20 5 EGBDRO Cc1cc(C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000195692206 455994053 /nfs/dbraw/zinc/99/40/53/455994053.db2.gz OHDVKNWOOTWFGC-HUUCEWRRSA-N 1 0 333.432 3.001 20 5 EGBDRO CO[C@@]1(C)CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000280620796 456015807 /nfs/dbraw/zinc/01/58/07/456015807.db2.gz WNXLGAUMGVTKIK-SFHVURJKSA-N 1 0 349.431 3.123 20 5 EGBDRO O=[N+]([O-])c1cccc(F)c1NC1CC[NH+](Cc2ccccn2)CC1 ZINC000286386014 456037435 /nfs/dbraw/zinc/03/74/35/456037435.db2.gz NBXRSIFMBREBGB-UHFFFAOYSA-N 1 0 330.363 3.205 20 5 EGBDRO Cc1cc(N2CCC3(C2)CCOCC3)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272782922 456069189 /nfs/dbraw/zinc/06/91/89/456069189.db2.gz ARLAKFYNHOKDQT-UHFFFAOYSA-N 1 0 327.384 3.458 20 5 EGBDRO CC1CCC([NH+]2CCN(c3nc4sccn4c3[N+](=O)[O-])CC2)CC1 ZINC000301290279 456081965 /nfs/dbraw/zinc/08/19/65/456081965.db2.gz NGZRDDUAZFZIBT-UHFFFAOYSA-N 1 0 349.460 3.005 20 5 EGBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1ccc([N+](=O)[O-])cn1 ZINC000301604568 456158881 /nfs/dbraw/zinc/15/88/81/456158881.db2.gz XSJMYYKYZXACBW-RHSMWYFYSA-N 1 0 326.400 3.312 20 5 EGBDRO Cc1cc(N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000301610522 456161125 /nfs/dbraw/zinc/16/11/25/456161125.db2.gz CPCCRNVZMMUGBK-GDBMZVCRSA-N 1 0 326.400 3.373 20 5 EGBDRO CSc1cccc(C(=O)NC[C@@H](CC(C)C)[NH+](C)C)c1[N+](=O)[O-] ZINC000188918618 456170432 /nfs/dbraw/zinc/17/04/32/456170432.db2.gz SEEZNWFEAVLQNX-GFCCVEGCSA-N 1 0 339.461 3.023 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCC[N@H+](CCCc3ccccc3)CC2)nc1 ZINC000263650724 456181000 /nfs/dbraw/zinc/18/10/00/456181000.db2.gz BOJUQATUVLHBSP-UHFFFAOYSA-N 1 0 340.427 3.135 20 5 EGBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC[C@H]1CCO[C@@H](C)C1 ZINC000273188899 456207669 /nfs/dbraw/zinc/20/76/69/456207669.db2.gz PJVLZTMCLDMUKB-ILXRZTDVSA-N 1 0 349.431 3.107 20 5 EGBDRO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@H]2C2CCC2)c([N+](=O)[O-])c1 ZINC000297723798 456280508 /nfs/dbraw/zinc/28/05/08/456280508.db2.gz BOBCVKXSFUYPLR-INIZCTEOSA-N 1 0 347.415 3.197 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3C[C@@H](CO)C3)o2)c(Cl)c1 ZINC000601139596 460727506 /nfs/dbraw/zinc/72/75/06/460727506.db2.gz GRQOSEUQOGHKKV-PHIMTYICSA-N 1 0 336.775 3.369 20 5 EGBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000290461228 456335283 /nfs/dbraw/zinc/33/52/83/456335283.db2.gz CKJXIEVNELWUIV-LLVKDONJSA-N 1 0 327.812 3.098 20 5 EGBDRO CC1(C)C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC[C@@H]1O ZINC000275976535 456361390 /nfs/dbraw/zinc/36/13/90/456361390.db2.gz MGJZYCABJQBDRN-KRWDZBQOSA-N 1 0 330.384 3.448 20 5 EGBDRO COc1cc(C[N@@H+]2CCCCC[C@@H]2C[C@H](C)O)c([N+](=O)[O-])cc1F ZINC000352886216 456390333 /nfs/dbraw/zinc/39/03/33/456390333.db2.gz PLCVKQGBYDYSCO-GXTWGEPZSA-N 1 0 340.395 3.258 20 5 EGBDRO CC(C)(C)[N@@H+]1CC[C@](F)(c2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000290702472 456409432 /nfs/dbraw/zinc/40/94/32/456409432.db2.gz VLIRHXITEHCQBY-MRXNPFEDSA-N 1 0 334.351 3.314 20 5 EGBDRO CC(C)([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000337637314 456445684 /nfs/dbraw/zinc/44/56/84/456445684.db2.gz CPRWUCBFZUIRJR-UHFFFAOYSA-N 1 0 339.395 3.009 20 5 EGBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])C[C@@H]1OCCc2ccccc21 ZINC000337640074 456447759 /nfs/dbraw/zinc/44/77/59/456447759.db2.gz FEDQFEOLDGOCQW-IBGZPJMESA-N 1 0 342.395 3.219 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000340444447 456466540 /nfs/dbraw/zinc/46/65/40/456466540.db2.gz OOAFTFKGQZEFKJ-UHFFFAOYSA-N 1 0 333.432 3.097 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000276461852 456489389 /nfs/dbraw/zinc/48/93/89/456489389.db2.gz WVVGRTSQSQGDRC-AWEZNQCLSA-N 1 0 348.447 3.406 20 5 EGBDRO O=[N+]([O-])c1ccc(CN2CCC(Oc3ccc(F)nc3)CC2)c(F)c1 ZINC000276735673 456565570 /nfs/dbraw/zinc/56/55/70/456565570.db2.gz CFHMVAKRSFYQNG-UHFFFAOYSA-N 1 0 349.337 3.311 20 5 EGBDRO Cc1ccc(C[N@@H+]2CC[C@@](CO)(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000291230109 456573142 /nfs/dbraw/zinc/57/31/42/456573142.db2.gz KHGRVDOWEQDMBY-LJQANCHMSA-N 1 0 326.396 3.039 20 5 EGBDRO CC(C)n1nccc1[C@H]1OCC[C@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000343381144 456575257 /nfs/dbraw/zinc/57/52/57/456575257.db2.gz CFWZRVSAILQXRT-DOMZBBRYSA-N 1 0 336.417 3.054 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CC[C@H](n4cccn4)C3)o2)c1 ZINC000291351726 456615489 /nfs/dbraw/zinc/61/54/89/456615489.db2.gz XGUZFKCHFSWGHO-INIZCTEOSA-N 1 0 338.367 3.498 20 5 EGBDRO COCc1cc([N+](=O)[O-])ccc1N1CCC([NH+]2CCCCC2)CC1 ZINC000277025259 456656922 /nfs/dbraw/zinc/65/69/22/456656922.db2.gz DDIJVBSVXCETDE-UHFFFAOYSA-N 1 0 333.432 3.196 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H](C)CC1(C)C ZINC000299372552 456673052 /nfs/dbraw/zinc/67/30/52/456673052.db2.gz RZMDFYXONFMLOV-GFCCVEGCSA-N 1 0 335.404 3.052 20 5 EGBDRO CC(=O)Nc1ccc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000283032901 456695598 /nfs/dbraw/zinc/69/55/98/456695598.db2.gz NIARELLBLKCINW-UHFFFAOYSA-N 1 0 327.384 3.228 20 5 EGBDRO O=[N+]([O-])c1ccc(C[N@@H+](CCO)[C@H]2CCc3ccccc32)cc1F ZINC000283041724 456696626 /nfs/dbraw/zinc/69/66/26/456696626.db2.gz IJSOYTCJQYCAGD-KRWDZBQOSA-N 1 0 330.359 3.216 20 5 EGBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1sccc1C[NH+](C)C ZINC000338322958 456771522 /nfs/dbraw/zinc/77/15/22/456771522.db2.gz IUJMKEMEODXTAV-UHFFFAOYSA-N 1 0 347.440 3.033 20 5 EGBDRO C[NH+](C)C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000338352071 456781632 /nfs/dbraw/zinc/78/16/32/456781632.db2.gz FUDPRUWCLTXUMU-MRXNPFEDSA-N 1 0 346.362 3.158 20 5 EGBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000340987484 456800635 /nfs/dbraw/zinc/80/06/35/456800635.db2.gz MHYVBZOAXWQNDQ-OAHLLOKOSA-N 1 0 343.383 3.041 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2ccc(CN3C[C@@H]4CCC[NH2+][C@@H]4C3)o2)c1 ZINC000353668937 456844167 /nfs/dbraw/zinc/84/41/67/456844167.db2.gz GVZVWRHGUDYBFM-WMLDXEAASA-N 1 0 327.384 3.039 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1CN(C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000353746306 456885050 /nfs/dbraw/zinc/88/50/50/456885050.db2.gz JVJUTMWABRUJJG-HOCLYGCPSA-N 1 0 335.448 3.298 20 5 EGBDRO C[C@H]1[C@H](C)[N@H+](C)CCN1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000339064487 456923611 /nfs/dbraw/zinc/92/36/11/456923611.db2.gz HXXYWAKKHNGAPA-QWRGUYRKSA-N 1 0 331.338 3.138 20 5 EGBDRO C[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@H]1CCCC[C@H]1O ZINC000339100219 456940288 /nfs/dbraw/zinc/94/02/88/456940288.db2.gz WJXIPEZNFNAIOZ-UONOGXRCSA-N 1 0 332.322 3.349 20 5 EGBDRO C[C@@H]1CCC[C@@](CNC(=O)Nc2ccc([N+](=O)[O-])cc2)([NH+](C)C)C1 ZINC000339102162 456941217 /nfs/dbraw/zinc/94/12/17/456941217.db2.gz MDZYOTSVSGMMFC-CXAGYDPISA-N 1 0 334.420 3.227 20 5 EGBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000339105720 456943184 /nfs/dbraw/zinc/94/31/84/456943184.db2.gz CQWMUXSQNFSWTL-VBQJREDUSA-N 1 0 346.431 3.464 20 5 EGBDRO CC[C@H]1CN(CCNc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CCO1 ZINC000362681362 457040881 /nfs/dbraw/zinc/04/08/81/457040881.db2.gz OMLJPEAHAUKNGH-LBPRGKRZSA-N 1 0 347.337 3.136 20 5 EGBDRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000330599577 457059493 /nfs/dbraw/zinc/05/94/93/457059493.db2.gz UGWKUTYVLCVMMN-GJZGRUSLSA-N 1 0 347.459 3.010 20 5 EGBDRO CC(C)C[C@@H]([NH3+])c1noc(-c2ccc(NC3CC3)c([N+](=O)[O-])c2)n1 ZINC000339396008 457093594 /nfs/dbraw/zinc/09/35/94/457093594.db2.gz VPULETBAQIZCMA-GFCCVEGCSA-N 1 0 331.376 3.265 20 5 EGBDRO CC(C)[C@@H]([NH3+])CCN(C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000346691772 457114500 /nfs/dbraw/zinc/11/45/00/457114500.db2.gz WFMZWMZVLGXDEJ-ZDUSSCGKSA-N 1 0 331.363 3.001 20 5 EGBDRO C[C@H]1C[C@@H](C(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CC[N@@H+]1C ZINC000331476633 457191916 /nfs/dbraw/zinc/19/19/16/457191916.db2.gz DDCGNQRQGQPXOM-BHYGNILZSA-N 1 0 345.443 3.031 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000331520164 457200221 /nfs/dbraw/zinc/20/02/21/457200221.db2.gz JMDCZISBZHZGAE-KBPBESRZSA-N 1 0 341.415 3.046 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H](CO)c1ccccc1Cl ZINC000342272378 457203157 /nfs/dbraw/zinc/20/31/57/457203157.db2.gz DWMKPFMKAFSSJE-CQSZACIVSA-N 1 0 334.803 3.422 20 5 EGBDRO CC[N@H+](CCC1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1)CC1CC1 ZINC000356898496 457206392 /nfs/dbraw/zinc/20/63/92/457206392.db2.gz UWWYCZXHIQLRNT-UHFFFAOYSA-N 1 0 349.431 3.162 20 5 EGBDRO C[C@@H]1CN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@H](C)[N@H+]1C ZINC000354453130 457231961 /nfs/dbraw/zinc/23/19/61/457231961.db2.gz UPYKVVKWJDMXBD-OKILXGFUSA-N 1 0 329.400 3.379 20 5 EGBDRO Cc1cc(NCCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000360074972 457241006 /nfs/dbraw/zinc/24/10/06/457241006.db2.gz SIGFNPINDXLSJN-ZIAGYGMSSA-N 1 0 339.411 3.344 20 5 EGBDRO Cn1nccc1[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000363223726 457262920 /nfs/dbraw/zinc/26/29/20/457262920.db2.gz IBZDEJFHVBAVOL-LBPRGKRZSA-N 1 0 334.807 3.361 20 5 EGBDRO CCN(CC[NH+]1CCCCCC1)C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000331994590 457286016 /nfs/dbraw/zinc/28/60/16/457286016.db2.gz NZTFFFNYQSKYLC-UHFFFAOYSA-N 1 0 333.432 3.241 20 5 EGBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000347233827 457302060 /nfs/dbraw/zinc/30/20/60/457302060.db2.gz NVVIXRSBFXFDHZ-AWEZNQCLSA-N 1 0 338.383 3.120 20 5 EGBDRO CCOCCO[C@H]1CC[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000347347153 457366452 /nfs/dbraw/zinc/36/64/52/457366452.db2.gz VTWYPIILGGYJCH-RXBGNRNISA-N 1 0 334.416 3.126 20 5 EGBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000360901836 457422001 /nfs/dbraw/zinc/42/20/01/457422001.db2.gz PUURHUMXKNQYGP-INIZCTEOSA-N 1 0 343.431 3.196 20 5 EGBDRO [NH3+]CCCN(CC1CCCC1)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000357365583 457474877 /nfs/dbraw/zinc/47/48/77/457474877.db2.gz RQPKXUTZULEUMT-UHFFFAOYSA-N 1 0 339.823 3.229 20 5 EGBDRO CCCN(CC[NH+]1CCCCC1)C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000342777091 457517811 /nfs/dbraw/zinc/51/78/11/457517811.db2.gz BMWAEICELGXDEH-UHFFFAOYSA-N 1 0 337.395 3.072 20 5 EGBDRO CC(C)Oc1cccc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000370059258 457521638 /nfs/dbraw/zinc/52/16/38/457521638.db2.gz GSIRHQCJPZAXPZ-UHFFFAOYSA-N 1 0 344.415 3.416 20 5 EGBDRO COC(=O)[C@H](CC[N@H+](C)Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000425383777 457531221 /nfs/dbraw/zinc/53/12/21/457531221.db2.gz LQZHVBVGUHZZFI-QGZVFWFLSA-N 1 0 342.395 3.374 20 5 EGBDRO C[C@@H]1C[C@@H](C(C)(C)C)CC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000347607844 457546671 /nfs/dbraw/zinc/54/66/71/457546671.db2.gz WIICCWGKFQYKPP-DOMZBBRYSA-N 1 0 333.432 3.340 20 5 EGBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000361153853 457616943 /nfs/dbraw/zinc/61/69/43/457616943.db2.gz KRQZTJUKJJMOGO-UONOGXRCSA-N 1 0 329.400 3.379 20 5 EGBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)[C@@H]1OC ZINC000361164092 457623979 /nfs/dbraw/zinc/62/39/79/457623979.db2.gz DCXQEVXHESCZJD-QGTPRVQTSA-N 1 0 346.383 3.137 20 5 EGBDRO CC[C@@H]([NH2+][C@@H]1CC(=O)N(c2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000357790207 457691021 /nfs/dbraw/zinc/69/10/21/457691021.db2.gz BHUMPEMMZKSQRQ-CRAIPNDOSA-N 1 0 339.395 3.441 20 5 EGBDRO CC[N@H+](CC1CCC1)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000361482399 457745620 /nfs/dbraw/zinc/74/56/20/457745620.db2.gz XOIGPWDRMCPKGA-LBPRGKRZSA-N 1 0 335.404 3.052 20 5 EGBDRO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000443332206 457750563 /nfs/dbraw/zinc/75/05/63/457750563.db2.gz HFRGLRFVKAVJIJ-XNJGSVPQSA-N 1 0 345.399 3.231 20 5 EGBDRO COc1ccc(-c2ccc(C[N@@H+]3CC[C@@H](C)[C@@H]3CO)o2)c([N+](=O)[O-])c1 ZINC000443857982 457816403 /nfs/dbraw/zinc/81/64/03/457816403.db2.gz VWOYMWGSXWJUFO-PXAZEXFGSA-N 1 0 346.383 3.066 20 5 EGBDRO CCC[N@H+](CC(C)C)[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000411203613 457830237 /nfs/dbraw/zinc/83/02/37/457830237.db2.gz RXIGOSKSZQGLSL-ZDUSSCGKSA-N 1 0 337.420 3.298 20 5 EGBDRO CC[C@@H]1C[C@H](C)C[N@@H+]1CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000411302405 457852275 /nfs/dbraw/zinc/85/22/75/457852275.db2.gz ORJKXVVCEZFNGO-QWHCGFSZSA-N 1 0 335.404 3.052 20 5 EGBDRO COc1ccc(NC(=O)CC[N@H+](C(C)C)C2CCC2)c([N+](=O)[O-])c1 ZINC000411380215 457870145 /nfs/dbraw/zinc/87/01/45/457870145.db2.gz CNZPIHAOSCOYKO-UHFFFAOYSA-N 1 0 335.404 3.195 20 5 EGBDRO C[NH+](C)Cc1cccc(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)c1 ZINC000411392921 457872817 /nfs/dbraw/zinc/87/28/17/457872817.db2.gz WCSCADKNUPRPNL-ZWKOTPCHSA-N 1 0 339.395 3.399 20 5 EGBDRO CCC[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@H](C)c1ccccc1OC ZINC000358259250 457894107 /nfs/dbraw/zinc/89/41/07/457894107.db2.gz GYSXRHXAQAWGSG-CQSZACIVSA-N 1 0 332.404 3.273 20 5 EGBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCOC3(CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000358312798 457926496 /nfs/dbraw/zinc/92/64/96/457926496.db2.gz CJQOOUVRPILZRE-LSDHHAIUSA-N 1 0 334.416 3.282 20 5 EGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCOC2(CCOCC2)C1 ZINC000358311891 457926569 /nfs/dbraw/zinc/92/65/69/457926569.db2.gz ZXIFEPXBPWVOAF-RDJZCZTQSA-N 1 0 348.443 3.234 20 5 EGBDRO CC[C@@H]1CCCC[C@H]1[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000444668590 457932681 /nfs/dbraw/zinc/93/26/81/457932681.db2.gz VUZXVYAJQUEDRZ-OWCLPIDISA-N 1 0 336.432 3.235 20 5 EGBDRO CC[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H]1CCCC[C@@H]1C ZINC000444674121 457934728 /nfs/dbraw/zinc/93/47/28/457934728.db2.gz JLLOPJXPRSFPLW-WMLDXEAASA-N 1 0 345.443 3.385 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C(C)C)C1 ZINC000444771918 457973039 /nfs/dbraw/zinc/97/30/39/457973039.db2.gz SDHQZNWMDIGPSE-UONOGXRCSA-N 1 0 349.431 3.298 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000434425096 457992376 /nfs/dbraw/zinc/99/23/76/457992376.db2.gz MNCBUYQGGHYKIU-INIZCTEOSA-N 1 0 345.443 3.267 20 5 EGBDRO Cc1ccc([C@H](C)NC(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000458495649 458070331 /nfs/dbraw/zinc/07/03/31/458070331.db2.gz HSJZSAGYUJJDJP-GOEBONIOSA-N 1 0 348.447 3.088 20 5 EGBDRO CN1CCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000435246815 458108133 /nfs/dbraw/zinc/10/81/33/458108133.db2.gz SYKMPXGVEPKKDA-UHFFFAOYSA-N 1 0 331.441 3.461 20 5 EGBDRO COc1ccc(-c2ccc(CN3CCC[N@H+](C)CC3)o2)c([N+](=O)[O-])c1 ZINC000435249998 458108887 /nfs/dbraw/zinc/10/88/87/458108887.db2.gz WOHBUYGSHJURFE-UHFFFAOYSA-N 1 0 345.399 3.001 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC2(CCC[N@@H+]2C)CC1 ZINC000375905280 458118306 /nfs/dbraw/zinc/11/83/06/458118306.db2.gz MGFGCXMHFILPLI-UHFFFAOYSA-N 1 0 347.459 3.442 20 5 EGBDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000446130548 458154206 /nfs/dbraw/zinc/15/42/06/458154206.db2.gz INZBJAPETSLFQJ-SFHVURJKSA-N 1 0 347.459 3.298 20 5 EGBDRO C[NH+]1CCC2(CCCN(c3ccc4cc([N+](=O)[O-])ccc4n3)C2)CC1 ZINC000375999366 458155976 /nfs/dbraw/zinc/15/59/76/458155976.db2.gz KMHODCBYBMWQQR-UHFFFAOYSA-N 1 0 340.427 3.455 20 5 EGBDRO COCC1(C)CC[NH+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000358755482 458195935 /nfs/dbraw/zinc/19/59/35/458195935.db2.gz VOYFORCTFDEJNZ-UHFFFAOYSA-N 1 0 345.399 3.498 20 5 EGBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1NCCC[NH+]1CCCCC1 ZINC000436272126 458279919 /nfs/dbraw/zinc/27/99/19/458279919.db2.gz GCVPDJMPHRQYLL-UHFFFAOYSA-N 1 0 332.326 3.297 20 5 EGBDRO Cc1ccc(OCC[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000447508100 458302216 /nfs/dbraw/zinc/30/22/16/458302216.db2.gz BKGZJUSADILDMX-IAGOWNOFSA-N 1 0 344.415 3.252 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H]1Cc2ccccc2N(C)C1 ZINC000436420206 458302763 /nfs/dbraw/zinc/30/27/63/458302763.db2.gz YONAOPSGNANBRS-HNNXBMFYSA-N 1 0 325.412 3.302 20 5 EGBDRO COc1ccc(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000447517112 458303739 /nfs/dbraw/zinc/30/37/39/458303739.db2.gz JLSLCKJTRJLXGM-HOTGVXAUSA-N 1 0 330.388 3.073 20 5 EGBDRO C[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447544545 458309342 /nfs/dbraw/zinc/30/93/42/458309342.db2.gz VZPNQPPVNFWMBB-XOKHGSTOSA-N 1 0 344.415 3.201 20 5 EGBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@H]3CCC4(CCCCC4)O3)CC2)n1 ZINC000369679569 458314400 /nfs/dbraw/zinc/31/44/00/458314400.db2.gz DGAGWMDKPIRHJH-MRXNPFEDSA-N 1 0 348.447 3.310 20 5 EGBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@@](C)(CCc2ccccc2)C1 ZINC000372681959 458317656 /nfs/dbraw/zinc/31/76/56/458317656.db2.gz PQGYBNTWBXORAY-GOSISDBHSA-N 1 0 328.416 3.173 20 5 EGBDRO Cc1ccc(C[C@@H](CO)[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000447598543 458319204 /nfs/dbraw/zinc/31/92/04/458319204.db2.gz VMQHKYSXPSZUOI-PXNSSMCTSA-N 1 0 340.423 3.474 20 5 EGBDRO C[C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[N@@H+](C2CCC2)C1 ZINC000429391682 458328300 /nfs/dbraw/zinc/32/83/00/458328300.db2.gz DLKXSBKOVYOXDS-CYBMUJFWSA-N 1 0 344.415 3.042 20 5 EGBDRO C[C@H](CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC000429835092 458376240 /nfs/dbraw/zinc/37/62/40/458376240.db2.gz WNHHJDYMPACBPF-LSDHHAIUSA-N 1 0 347.459 3.109 20 5 EGBDRO CC[C@@H](c1ccc(F)cc1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000459503159 458393757 /nfs/dbraw/zinc/39/37/57/458393757.db2.gz FVCGNISQJAJYRF-INIZCTEOSA-N 1 0 344.390 3.402 20 5 EGBDRO CCOc1cc(C[N@@H+]2CCC[C@@H](c3nccn3C)C2)ccc1[N+](=O)[O-] ZINC000373114961 458401681 /nfs/dbraw/zinc/40/16/81/458401681.db2.gz FXPULLDVBXFLGZ-OAHLLOKOSA-N 1 0 344.415 3.107 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1CN1CC[N@H+](C)CC12CCCCC2 ZINC000430209895 458421781 /nfs/dbraw/zinc/42/17/81/458421781.db2.gz SPZQGXYTXJLTNQ-UHFFFAOYSA-N 1 0 333.432 3.054 20 5 EGBDRO CCOC[C@H]1CCCC[N@@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000459699270 458451736 /nfs/dbraw/zinc/45/17/36/458451736.db2.gz CRKGSRKJFUOCLN-OAHLLOKOSA-N 1 0 349.431 3.123 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C3(CO)CCSCC3)o2)cc1 ZINC000459741248 458464894 /nfs/dbraw/zinc/46/48/94/458464894.db2.gz ZUBGJMULKHRACH-UHFFFAOYSA-N 1 0 348.424 3.203 20 5 EGBDRO O=C(CC[N@@H+]1CC[C@@H]1c1ccccc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000437575630 458468516 /nfs/dbraw/zinc/46/85/16/458468516.db2.gz HUZZPQXHDNACND-QGZVFWFLSA-N 1 0 325.368 3.370 20 5 EGBDRO O=C(CC[N@@H+]1CC[C@H]1c1ccccc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000437575629 458468641 /nfs/dbraw/zinc/46/86/41/458468641.db2.gz HUZZPQXHDNACND-KRWDZBQOSA-N 1 0 325.368 3.370 20 5 EGBDRO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000430816407 458494162 /nfs/dbraw/zinc/49/41/62/458494162.db2.gz MDMUWJYEFSQPGE-DOTOQJQBSA-N 1 0 333.432 3.225 20 5 EGBDRO O=C(CC[N@@H+]1CC[C@H]1Cc1ccccc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000437825445 458498501 /nfs/dbraw/zinc/49/85/01/458498501.db2.gz AGXCKJWKIOSUNY-SFHVURJKSA-N 1 0 339.395 3.240 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCCOCC1CCOCC1 ZINC000468624438 458528116 /nfs/dbraw/zinc/52/81/16/458528116.db2.gz ACLAULSQZQCVIW-FOWTUZBSSA-N 1 0 348.443 3.421 20 5 EGBDRO C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494436220 458676422 /nfs/dbraw/zinc/67/64/22/458676422.db2.gz PQTPQFXGGPTEEM-MEBBXXQBSA-N 1 0 343.349 3.186 20 5 EGBDRO C[N@@H+]1CCCC12CCN(c1ccnc3c1cccc3[N+](=O)[O-])CC2 ZINC000432159687 458692109 /nfs/dbraw/zinc/69/21/09/458692109.db2.gz WBYIIFYQCAGNJC-UHFFFAOYSA-N 1 0 326.400 3.208 20 5 EGBDRO CC[C@@H](C)[NH+]1CCN(C(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)CC1 ZINC000456524118 458702507 /nfs/dbraw/zinc/70/25/07/458702507.db2.gz GJDKQYCPWDNLTC-CQSZACIVSA-N 1 0 333.432 3.076 20 5 EGBDRO C[C@@]1(CO)CCC[N@@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000530359386 458754484 /nfs/dbraw/zinc/75/44/84/458754484.db2.gz GVGDTFIDRNSJRJ-INIZCTEOSA-N 1 0 333.413 3.065 20 5 EGBDRO CCC[C@]1(C)CCC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000464840513 458781954 /nfs/dbraw/zinc/78/19/54/458781954.db2.gz USTWKIVITSUVMI-GOSISDBHSA-N 1 0 333.432 3.460 20 5 EGBDRO CN(CC[N@H+](C)CCOc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000518096146 458842322 /nfs/dbraw/zinc/84/23/22/458842322.db2.gz OGCCVBLKIAQQGP-UHFFFAOYSA-N 1 0 329.400 3.042 20 5 EGBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000473771822 458842861 /nfs/dbraw/zinc/84/28/61/458842861.db2.gz GJODLGLRZYQOQM-OAHLLOKOSA-N 1 0 334.420 3.289 20 5 EGBDRO CCC[C@H]1CCC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000466474515 458901551 /nfs/dbraw/zinc/90/15/51/458901551.db2.gz OVDVQCNNRJGLST-YOEHRIQHSA-N 1 0 331.416 3.212 20 5 EGBDRO COC(=O)C[C@@H]1CC[C@H]([NH2+]CCCCc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000474801176 458902106 /nfs/dbraw/zinc/90/21/06/458902106.db2.gz XBOBDAGOHDHZLV-HFTRVMKXSA-N 1 0 348.443 3.485 20 5 EGBDRO C[NH+](C)[C@H](CN[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F)C1CC1 ZINC000576949576 458954464 /nfs/dbraw/zinc/95/44/64/458954464.db2.gz OYTWXFRBRVYGRU-ZIAGYGMSSA-N 1 0 331.338 3.128 20 5 EGBDRO CCOC(=O)c1cc(NC[C@H]2CC[N@H+](CC(C)C)C2)ccc1[N+](=O)[O-] ZINC000467801880 458988061 /nfs/dbraw/zinc/98/80/61/458988061.db2.gz YAUDNCMOCRJJMS-CQSZACIVSA-N 1 0 349.431 3.161 20 5 EGBDRO CCC(CC)[C@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)N1CCOCC1 ZINC000467832385 458988835 /nfs/dbraw/zinc/98/88/35/458988835.db2.gz QUKPVBJPTGVSEU-KXBFYZLASA-N 1 0 349.475 3.382 20 5 EGBDRO CCC(C)(C)[NH2+][C@@H](C)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000476755356 459017083 /nfs/dbraw/zinc/01/70/83/459017083.db2.gz BHBYZKNUNWYWJG-AWEZNQCLSA-N 1 0 335.448 3.200 20 5 EGBDRO CC[N@@H+](Cc1ccc(C)cc1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000519918072 459022198 /nfs/dbraw/zinc/02/21/98/459022198.db2.gz AEMVWEZETZHJQI-GOSISDBHSA-N 1 0 344.411 3.165 20 5 EGBDRO COc1ccc(CNC[C@@H](C(C)C)[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000520206809 459039348 /nfs/dbraw/zinc/03/93/48/459039348.db2.gz OUKBGHIKGOLJMG-SFHVURJKSA-N 1 0 349.475 3.450 20 5 EGBDRO CC(=O)NCC[C@@H]1CCC[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000567085665 459045282 /nfs/dbraw/zinc/04/52/82/459045282.db2.gz DDVKFMHXIRZZQF-HKBKRHGFSA-N 1 0 345.443 3.236 20 5 EGBDRO CN(C)C1(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCCC1 ZINC000480137902 459183941 /nfs/dbraw/zinc/18/39/41/459183941.db2.gz MENPZEAFBFNHCD-KRWDZBQOSA-N 1 0 331.460 3.380 20 5 EGBDRO CC[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000533299519 459217471 /nfs/dbraw/zinc/21/74/71/459217471.db2.gz FTKHVDJALQXUJZ-KGLIPLIRSA-N 1 0 349.431 3.443 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](CO)Cc1ccc(C)cc1 ZINC000595041342 459225920 /nfs/dbraw/zinc/22/59/20/459225920.db2.gz PEKWYHBIGWZACV-HOCLYGCPSA-N 1 0 344.411 3.166 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H](CO)c1ccc(F)cc1 ZINC000595054171 459228816 /nfs/dbraw/zinc/22/88/16/459228816.db2.gz YOPYWQWFQDWMKQ-OCCSQVGLSA-N 1 0 348.374 3.169 20 5 EGBDRO CC(C)(C)N1CC[C@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000595057459 459230140 /nfs/dbraw/zinc/23/01/40/459230140.db2.gz XIEBDHSLLRNVKE-IRXDYDNUSA-N 1 0 331.460 3.378 20 5 EGBDRO C[S@](=O)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000595062220 459231313 /nfs/dbraw/zinc/23/13/13/459231313.db2.gz SDERWZQWGBMIAX-XNWPVCQWSA-N 1 0 336.457 3.252 20 5 EGBDRO C[C@@H]([NH2+]Cc1cccnc1N1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000595071122 459237249 /nfs/dbraw/zinc/23/72/49/459237249.db2.gz PFSUBVJWHJPKST-CQSZACIVSA-N 1 0 326.400 3.441 20 5 EGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC[C@@H]([S@](C)=O)C1 ZINC000595075223 459238866 /nfs/dbraw/zinc/23/88/66/459238866.db2.gz YSKYEUXBPBUMQI-MALQSCRYSA-N 1 0 338.473 3.195 20 5 EGBDRO CCSC1(C[NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000595099659 459245817 /nfs/dbraw/zinc/24/58/17/459245817.db2.gz NFFNKJVXEWNBBG-LBPRGKRZSA-N 1 0 337.445 3.187 20 5 EGBDRO CNC(=O)CC1(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CCCCC1 ZINC000595104373 459246549 /nfs/dbraw/zinc/24/65/49/459246549.db2.gz POTZXTDPCYZENO-MRXNPFEDSA-N 1 0 345.443 3.258 20 5 EGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000595104299 459247013 /nfs/dbraw/zinc/24/70/13/459247013.db2.gz OQWPVPGCFVKZPE-LSDHHAIUSA-N 1 0 347.459 3.153 20 5 EGBDRO Cc1c(NC(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)cccc1[N+](=O)[O-] ZINC000595230284 459259396 /nfs/dbraw/zinc/25/93/96/459259396.db2.gz PATHIEJFPGITOI-HNNXBMFYSA-N 1 0 346.431 3.147 20 5 EGBDRO CC[N@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@@H]1COc2ccccc2O1 ZINC000524424162 459362527 /nfs/dbraw/zinc/36/25/27/459362527.db2.gz YDWVCSRJGVPRGW-QGZVFWFLSA-N 1 0 342.395 3.299 20 5 EGBDRO Cc1cc(N2CC[C@H]3CC[C@@H](C2)[NH2+]3)c([N+](=O)[O-])cc1C(F)(F)F ZINC000591431166 459378297 /nfs/dbraw/zinc/37/82/97/459378297.db2.gz QJQINBYHNSYNFI-MNOVXSKESA-N 1 0 329.322 3.253 20 5 EGBDRO CC1(C)C[NH2+][C@@H]1C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000591672913 459420574 /nfs/dbraw/zinc/42/05/74/459420574.db2.gz SSBCRZUDFNAHRG-MRXNPFEDSA-N 1 0 341.367 3.324 20 5 EGBDRO CN(CCC[NH3+])C(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000591678692 459421796 /nfs/dbraw/zinc/42/17/96/459421796.db2.gz DTFGNCDAWULTAQ-UHFFFAOYSA-N 1 0 337.445 3.050 20 5 EGBDRO CCC[C@@]1(C)CCC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000541348627 459448135 /nfs/dbraw/zinc/44/81/35/459448135.db2.gz IFTSSEGXAFILLU-QAPCUYQASA-N 1 0 336.432 3.237 20 5 EGBDRO C[C@H](C(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000561536147 459462096 /nfs/dbraw/zinc/46/20/96/459462096.db2.gz WYSYBFYBTZJSLA-GJZGRUSLSA-N 1 0 345.443 3.031 20 5 EGBDRO C[C@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])[C@@H](O)Cc1ccccc1 ZINC000583034516 459471365 /nfs/dbraw/zinc/47/13/65/459471365.db2.gz MQSMULKTRCQOCD-IRWQIABSSA-N 1 0 326.396 3.164 20 5 EGBDRO CC1(C)C[C@@]1([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000595910244 459482685 /nfs/dbraw/zinc/48/26/85/459482685.db2.gz SDNADCVOMPJIIC-LJQANCHMSA-N 1 0 339.395 3.448 20 5 EGBDRO CCC[C@]1(COC)CCC[N@@H+]1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000569660832 459487947 /nfs/dbraw/zinc/48/79/47/459487947.db2.gz ANKNJESAZBAYHM-GOSISDBHSA-N 1 0 349.431 3.123 20 5 EGBDRO COCC[NH+]1CCC(Nc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)CC1 ZINC000596090280 459516016 /nfs/dbraw/zinc/51/60/16/459516016.db2.gz NWXRGFDNSIAQJX-UHFFFAOYSA-N 1 0 347.337 3.136 20 5 EGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccnn1CC ZINC000596097563 459519913 /nfs/dbraw/zinc/51/99/13/459519913.db2.gz ZPIGIJAPXJXJAC-CYBMUJFWSA-N 1 0 334.445 3.472 20 5 EGBDRO C[C@@H]1C[C@H](Nc2c(Br)cccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000596143776 459535993 /nfs/dbraw/zinc/53/59/93/459535993.db2.gz ABHCCCOQGUQOGB-NXEZZACHSA-N 1 0 328.210 3.252 20 5 EGBDRO CC(C)[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000542280662 459543758 /nfs/dbraw/zinc/54/37/58/459543758.db2.gz MABYZXWXARILKN-HZPDHXFCSA-N 1 0 336.432 3.093 20 5 EGBDRO C[C@H]1CC2(C[N@@H+]1Cc1nc3cc([N+](=O)[O-])ccc3o1)CCOCC2 ZINC000592184109 459544926 /nfs/dbraw/zinc/54/49/26/459544926.db2.gz YZLFSAOYTGCTIW-LBPRGKRZSA-N 1 0 331.372 3.127 20 5 EGBDRO CC(C)[N@H+](C)CC1CCN(c2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000542520822 459566412 /nfs/dbraw/zinc/56/64/12/459566412.db2.gz LYXSRLMNTXQXGC-UHFFFAOYSA-N 1 0 343.431 3.095 20 5 EGBDRO Cc1cnc(N2CCC3(CCC([NH+](C)C)CC3)CC2)c([N+](=O)[O-])c1 ZINC000596256062 459577218 /nfs/dbraw/zinc/57/72/18/459577218.db2.gz XTLWJILUFWZSOE-UHFFFAOYSA-N 1 0 332.448 3.389 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2nc(-c3nc([C@H]4CCC[NH2+]4)no3)cs2)cc1 ZINC000592357131 459579110 /nfs/dbraw/zinc/57/91/10/459579110.db2.gz QREPOMOFIYVGHU-LLVKDONJSA-N 1 0 343.368 3.193 20 5 EGBDRO CC[C@H]1C[N@H+](C)CCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000596436735 459635532 /nfs/dbraw/zinc/63/55/32/459635532.db2.gz QCHHQLVBUNKKHX-NSHDSACASA-N 1 0 340.811 3.196 20 5 EGBDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000596447781 459639427 /nfs/dbraw/zinc/63/94/27/459639427.db2.gz UIAUBVQEKYEDKY-JTQLQIEISA-N 1 0 340.811 3.243 20 5 EGBDRO COc1cc(NC[C@H]2CC[N@@H+]2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000596558976 459676840 /nfs/dbraw/zinc/67/68/40/459676840.db2.gz VXRQHRISTCYJDU-MRXNPFEDSA-N 1 0 327.384 3.290 20 5 EGBDRO COCc1cc([N+](=O)[O-])ccc1NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000596569961 459680422 /nfs/dbraw/zinc/68/04/22/459680422.db2.gz DWEYCMCDJPPSLG-HNNXBMFYSA-N 1 0 333.432 3.275 20 5 EGBDRO C[C@H]1CC[N@H+](CCOc2ccc(-c3ccc([N+](=O)[O-])nc3)cc2)C1 ZINC000596637346 459708388 /nfs/dbraw/zinc/70/83/88/459708388.db2.gz HSYIKWUFPMXGCI-AWEZNQCLSA-N 1 0 327.384 3.377 20 5 EGBDRO O=C(CC[NH2+]C(C1CCC1)C1CCC1)Nc1ccccc1[N+](=O)[O-] ZINC000584406370 459730732 /nfs/dbraw/zinc/73/07/32/459730732.db2.gz DHJKUESYSBQERN-UHFFFAOYSA-N 1 0 331.416 3.482 20 5 EGBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@H](C(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000544193730 459738549 /nfs/dbraw/zinc/73/85/49/459738549.db2.gz YVYSIQTXULWEDE-ZDUSSCGKSA-N 1 0 349.431 3.300 20 5 EGBDRO CC[C@@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@H](CC)CO1 ZINC000593058819 459759538 /nfs/dbraw/zinc/75/95/38/459759538.db2.gz PBCDVKHDXLWWOQ-GDBMZVCRSA-N 1 0 349.431 3.121 20 5 EGBDRO Cc1cc(N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000584537199 459764538 /nfs/dbraw/zinc/76/45/38/459764538.db2.gz PGJBGOLSOXKWDA-STQMWFEESA-N 1 0 326.400 3.489 20 5 EGBDRO CC1(C)C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@H]2CCC[C@@H]21 ZINC000584842859 459813468 /nfs/dbraw/zinc/81/34/68/459813468.db2.gz BNOBXTKAXOTPMG-HOTGVXAUSA-N 1 0 332.400 3.472 20 5 EGBDRO C[C@H]([NH2+][C@H]1CCC[C@H](N2CCCC2=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000574466188 459822255 /nfs/dbraw/zinc/82/22/55/459822255.db2.gz UMPHYJNCXVTOOH-QRTARXTBSA-N 1 0 331.416 3.179 20 5 EGBDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000598265913 459844690 /nfs/dbraw/zinc/84/46/90/459844690.db2.gz VYRWXPHVKQJRSM-LBPRGKRZSA-N 1 0 339.823 3.098 20 5 EGBDRO C[C@H](c1ccccc1)[C@H](CO)[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000586769580 459868144 /nfs/dbraw/zinc/86/81/44/459868144.db2.gz DEJNFUQKOUEBLD-DIFFPNOSSA-N 1 0 336.338 3.127 20 5 EGBDRO C[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)C[C@@H]1COCCO1 ZINC000597206296 459876774 /nfs/dbraw/zinc/87/67/74/459876774.db2.gz OSAAGDMKMYSFPD-CYBMUJFWSA-N 1 0 348.424 3.171 20 5 EGBDRO Cn1cc(C[NH2+]C2CC3(CCC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000593688355 459951286 /nfs/dbraw/zinc/95/12/86/459951286.db2.gz PBNXFPQXGFQIHY-UHFFFAOYSA-N 1 0 326.400 3.418 20 5 EGBDRO O=[N+]([O-])c1ccc2[nH]c(CN3CCC[C@@H](C[C@H]4CCOC4)C3)nc2c1 ZINC000618296927 459963249 /nfs/dbraw/zinc/96/32/49/459963249.db2.gz AKPHWTOYGMNJLB-UONOGXRCSA-N 1 0 344.415 3.110 20 5 EGBDRO CC[C@@H](C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000575495196 459978055 /nfs/dbraw/zinc/97/80/55/459978055.db2.gz HEWSZMQXEPDYAJ-DOTOQJQBSA-N 1 0 344.411 3.118 20 5 EGBDRO C[NH+]1CCC(N(C(=O)c2csc([N+](=O)[O-])c2)c2ccccc2)CC1 ZINC000609566883 459983743 /nfs/dbraw/zinc/98/37/43/459983743.db2.gz UDBRWLYKISVQFA-UHFFFAOYSA-N 1 0 345.424 3.397 20 5 EGBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000588812512 459984831 /nfs/dbraw/zinc/98/48/31/459984831.db2.gz NOQCYLZVDMGJPD-UHFFFAOYSA-N 1 0 349.479 3.212 20 5 EGBDRO CCCC[NH+]1CCC(NCc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000602534593 459986734 /nfs/dbraw/zinc/98/67/34/459986734.db2.gz KBMNQEXDFADZHF-UHFFFAOYSA-N 1 0 332.404 3.090 20 5 EGBDRO C[C@@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]1CO ZINC000598676199 459987606 /nfs/dbraw/zinc/98/76/06/459987606.db2.gz DMELPCOWUIJCQI-UKRRQHHQSA-N 1 0 330.384 3.305 20 5 EGBDRO CC(C)[C@@H]1OCCC[C@@H]1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602561263 459998122 /nfs/dbraw/zinc/99/81/22/459998122.db2.gz DYBHJHSDBWEUQX-PXAZEXFGSA-N 1 0 333.388 3.277 20 5 EGBDRO COc1ccccc1O[C@@H](C)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602561796 459998146 /nfs/dbraw/zinc/99/81/46/459998146.db2.gz FZWNVLBMJWTRLW-AWEZNQCLSA-N 1 0 330.384 3.203 20 5 EGBDRO [NH3+][C@@]12CCC[C@H]1CN(Cc1ccc(-c3ccc([N+](=O)[O-])cc3)o1)C2 ZINC000598719954 460004987 /nfs/dbraw/zinc/00/49/87/460004987.db2.gz OUPFVWVMXLOAOO-KBXCAEBGSA-N 1 0 327.384 3.168 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](CO)c2ccc(Cl)cc2)c(F)c1 ZINC000588928796 460007277 /nfs/dbraw/zinc/00/72/77/460007277.db2.gz XCQKVOPSBPDTPF-ZDUSSCGKSA-N 1 0 338.766 3.253 20 5 EGBDRO C[C@H]1CCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[C@H]1CC[NH3+] ZINC000593917603 460017159 /nfs/dbraw/zinc/01/71/59/460017159.db2.gz WOEQDSIEYUJCOJ-FZMZJTMJSA-N 1 0 347.440 3.399 20 5 EGBDRO C[C@]1(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CCO[C@@H]1C1CC1 ZINC000602611431 460021373 /nfs/dbraw/zinc/02/13/73/460021373.db2.gz NSVOAOSWMSQGJY-IAGOWNOFSA-N 1 0 331.372 3.031 20 5 EGBDRO Cc1csc([C@H](C)C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)n1 ZINC000602614227 460023004 /nfs/dbraw/zinc/02/30/04/460023004.db2.gz NBNSIBPNDBBYMJ-SECBINFHSA-N 1 0 332.385 3.394 20 5 EGBDRO C[C@@H]1CC(CC[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@H](C)O1 ZINC000602652835 460045470 /nfs/dbraw/zinc/04/54/70/460045470.db2.gz LEMXMCHJOCFDFQ-VXGBXAGGSA-N 1 0 333.388 3.419 20 5 EGBDRO CC(C)=CC[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000589317840 460072155 /nfs/dbraw/zinc/07/21/55/460072155.db2.gz UZRYWEAFZGVFBN-UHFFFAOYSA-N 1 0 346.168 3.255 20 5 EGBDRO C[C@@H](O)C[C@H]1CCCCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602660612 460050312 /nfs/dbraw/zinc/05/03/12/460050312.db2.gz GMZSZFWGGRWZIB-CHWSQXEVSA-N 1 0 333.388 3.252 20 5 EGBDRO CCOC(=O)c1ccc(C[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])o1 ZINC000589196977 460050728 /nfs/dbraw/zinc/05/07/28/460050728.db2.gz HWORZCXGALWDJG-ZDUSSCGKSA-N 1 0 346.383 3.475 20 5 EGBDRO CO[C@@H]1C[C@@H]([N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)C12CCC2 ZINC000602682849 460064071 /nfs/dbraw/zinc/06/40/71/460064071.db2.gz SLGJHZSDNYSCNW-HUUCEWRRSA-N 1 0 331.372 3.125 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000589376753 460080867 /nfs/dbraw/zinc/08/08/67/460080867.db2.gz BINMLAZLSXAPNJ-AWEZNQCLSA-N 1 0 334.420 3.152 20 5 EGBDRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000597862275 460084244 /nfs/dbraw/zinc/08/42/44/460084244.db2.gz ZCSNYIOIYWUNJX-CQSZACIVSA-N 1 0 347.459 3.109 20 5 EGBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000576196515 460087847 /nfs/dbraw/zinc/08/78/47/460087847.db2.gz XCHNAQZAFNUCEM-LLVKDONJSA-N 1 0 342.827 3.490 20 5 EGBDRO COc1cccc([C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)OC)c1 ZINC000598987632 460118632 /nfs/dbraw/zinc/11/86/32/460118632.db2.gz KTGMWWCVAOUWPM-KRWDZBQOSA-N 1 0 334.347 3.220 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@H](c2ccccc2)[C@H](C)C1 ZINC000602782272 460121350 /nfs/dbraw/zinc/12/13/50/460121350.db2.gz LXNZGCRMWVTABD-RHSMWYFYSA-N 1 0 328.416 3.225 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@H](c2ccccc2)[C@@H](C)C1 ZINC000602782280 460122679 /nfs/dbraw/zinc/12/26/79/460122679.db2.gz LXNZGCRMWVTABD-WMLDXEAASA-N 1 0 328.416 3.225 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](c1ccc(F)c(C)c1)C1CC1 ZINC000602800354 460133020 /nfs/dbraw/zinc/13/30/20/460133020.db2.gz IGOSIEKCRPYNRE-KRWDZBQOSA-N 1 0 332.379 3.288 20 5 EGBDRO Cc1c([C@H](C)[NH2+]C[C@@H]2CCCN2CC(F)F)cccc1[N+](=O)[O-] ZINC000599064571 460147622 /nfs/dbraw/zinc/14/76/22/460147622.db2.gz CBIMCEHAIDJKQE-STQMWFEESA-N 1 0 327.375 3.283 20 5 EGBDRO CCO[C@H]1C[C@H]([N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)C1(C)C ZINC000610582775 460188326 /nfs/dbraw/zinc/18/83/26/460188326.db2.gz ZEGISSOXCCXMNV-GJZGRUSLSA-N 1 0 333.388 3.371 20 5 EGBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C/C=C\c3ccc(F)cc3)CC2)n1 ZINC000618822601 460188842 /nfs/dbraw/zinc/18/88/42/460188842.db2.gz GULZCNNYPSEJPK-UPHRSURJSA-N 1 0 330.363 3.281 20 5 EGBDRO C[C@@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000602958786 460201502 /nfs/dbraw/zinc/20/15/02/460201502.db2.gz HVCJOTAGGRRDKX-BBRMVZONSA-N 1 0 334.420 3.179 20 5 EGBDRO O=[N+]([O-])c1cccc(F)c1CN1CC(c2nc3ccccc3[nH]2)C1 ZINC000610701490 460219551 /nfs/dbraw/zinc/21/95/51/460219551.db2.gz QYCJHASSXCLUIU-UHFFFAOYSA-N 1 0 326.331 3.210 20 5 EGBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000610721052 460225733 /nfs/dbraw/zinc/22/57/33/460225733.db2.gz PCKVMDHQHAAUMP-HOCLYGCPSA-N 1 0 348.447 3.138 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2nc(C[NH+]3CCC4(CCOC4)CC3)co2)cc1 ZINC000611177259 460301450 /nfs/dbraw/zinc/30/14/50/460301450.db2.gz CYTNEGRPOCFLHH-UHFFFAOYSA-N 1 0 343.383 3.252 20 5 EGBDRO CC(C)c1ccc(CN2CC[NH+](C[C@@H]3CCCO3)CC2)cc1[N+](=O)[O-] ZINC000603633307 460329416 /nfs/dbraw/zinc/32/94/16/460329416.db2.gz VKMHPAGEBPDUTD-KRWDZBQOSA-N 1 0 347.459 3.015 20 5 EGBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](C)C2(CCC2)C1 ZINC000611303391 460334042 /nfs/dbraw/zinc/33/40/42/460334042.db2.gz ADKTYEUWOGKXQU-UONOGXRCSA-N 1 0 331.416 3.434 20 5 EGBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1)[NH+](C)C ZINC000603740033 460338429 /nfs/dbraw/zinc/33/84/29/460338429.db2.gz YHZJDZMHBSWHKS-CYBMUJFWSA-N 1 0 343.383 3.067 20 5 EGBDRO C[C@H]1CN(c2ccccc2F)CCN1Cc1ccccc1[N+](=O)[O-] ZINC000616132504 460479995 /nfs/dbraw/zinc/47/99/95/460479995.db2.gz MIYBPKGTSCKAEA-AWEZNQCLSA-N 1 0 329.375 3.445 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C)c1cnccc1C ZINC000611939745 460492409 /nfs/dbraw/zinc/49/24/09/460492409.db2.gz NLQDZDHOTQLLAC-AWEZNQCLSA-N 1 0 342.399 3.286 20 5 EGBDRO CC[C@@H]([NH2+]C[C@H](n1cncn1)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000601295366 460779501 /nfs/dbraw/zinc/77/95/01/460779501.db2.gz VBNDKHNLFKPIKW-OLZOCXBDSA-N 1 0 343.309 3.031 20 5 EGBDRO C[C@@H](C[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-])c1nccs1 ZINC000183960172 533739601 /nfs/dbraw/zinc/73/96/01/533739601.db2.gz SMBDKASQKIBWKR-LBPRGKRZSA-N 1 0 348.428 3.115 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[N@@H+](C)C[C@@H]1C(C)C ZINC000180701033 534322822 /nfs/dbraw/zinc/32/28/22/534322822.db2.gz VUPNOTXPJDJQAQ-OAHLLOKOSA-N 1 0 334.420 3.016 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181478951 534335623 /nfs/dbraw/zinc/33/56/23/534335623.db2.gz ADJZXUCKMWEURN-HUUCEWRRSA-N 1 0 345.443 3.286 20 5 EGBDRO NC(=O)[C@H]1CCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000154975523 534451898 /nfs/dbraw/zinc/45/18/98/534451898.db2.gz YYDMJEBKMFQCAC-LBPRGKRZSA-N 1 0 345.424 3.021 20 5 EGBDRO O=C(C[NH2+][C@@H]1CCC[C@H]1c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000155107079 534594570 /nfs/dbraw/zinc/59/45/70/534594570.db2.gz RBIWFQIFYLYIBA-JKSUJKDBSA-N 1 0 339.395 3.459 20 5 EGBDRO CCN(CC)C(=O)CCC[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000344786795 535419064 /nfs/dbraw/zinc/41/90/64/535419064.db2.gz AXYQZWYFVOIHFQ-NTCAYCPXSA-N 1 0 333.432 3.236 20 5 EGBDRO CC[NH+](CC)CCOc1ccccc1CNc1ccc([N+](=O)[O-])cn1 ZINC000052212915 535557326 /nfs/dbraw/zinc/55/73/26/535557326.db2.gz PQIPMSHABBIRDT-UHFFFAOYSA-N 1 0 344.415 3.323 20 5 EGBDRO C[NH+](C)Cc1cccc(NC(=O)NCCc2ccccc2[N+](=O)[O-])c1 ZINC000266421977 536038476 /nfs/dbraw/zinc/03/84/76/536038476.db2.gz VRWGIONUKOMIJW-UHFFFAOYSA-N 1 0 342.399 3.021 20 5 EGBDRO O=C(C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])Nc1ccc(F)c(F)c1 ZINC000726605579 574563391 /nfs/dbraw/zinc/56/33/91/574563391.db2.gz USFIEIVLIRQANS-HWKANZROSA-N 1 0 347.321 3.115 20 5 EGBDRO Cc1ccc([C@@H](CNc2nc3ccccn3c2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000742564435 576789968 /nfs/dbraw/zinc/78/99/68/576789968.db2.gz LHXOVUCIACXLBB-OAHLLOKOSA-N 1 0 339.399 3.266 20 5 EGBDRO C[C@@H]1CSCC[N@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000792719676 1309215317 /nfs/dbraw/zinc/21/53/17/1309215317.db2.gz IHBNSBUGVOJCJR-ZDUSSCGKSA-N 1 0 332.429 3.101 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCCc3ccccc3CC2)cc1 ZINC000831920759 1292936187 /nfs/dbraw/zinc/93/61/87/1292936187.db2.gz VCYVWCHXFVNFMB-IBGZPJMESA-N 1 0 326.396 3.119 20 5 EGBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCCCCC[NH+]1CCCCC1 ZINC000110438742 1293097292 /nfs/dbraw/zinc/09/72/92/1293097292.db2.gz UWPJXYXQHNITSB-FMIVXFBMSA-N 1 0 345.443 3.380 20 5 EGBDRO C[NH+](C)CC[C@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000116129309 1293200338 /nfs/dbraw/zinc/20/03/38/1293200338.db2.gz VZEYGGDXBXVLNT-KXKDPZRNSA-N 1 0 333.432 3.091 20 5 EGBDRO O=C(O[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000117093869 1293215578 /nfs/dbraw/zinc/21/55/78/1293215578.db2.gz NYSRLZJPRCWSBA-QGZVFWFLSA-N 1 0 326.352 3.026 20 5 EGBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1OC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000835481794 1293300645 /nfs/dbraw/zinc/30/06/45/1293300645.db2.gz QKZUVXBZPQZATR-RDJZCZTQSA-N 1 0 348.443 3.276 20 5 EGBDRO CC[C@H](C)[NH+]1CCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000836201930 1293458750 /nfs/dbraw/zinc/45/87/50/1293458750.db2.gz HHLIQOYGFOAYLK-NSHDSACASA-N 1 0 340.811 3.196 20 5 EGBDRO Cc1nc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cs1 ZINC000126636143 1293539763 /nfs/dbraw/zinc/53/97/63/1293539763.db2.gz VSQQKAWPAXDRQG-UHFFFAOYSA-N 1 0 332.429 3.118 20 5 EGBDRO C[C@H](CCNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)[NH+]1CCCCC1 ZINC000133841203 1293755656 /nfs/dbraw/zinc/75/56/56/1293755656.db2.gz HWYOQVIFEBLLOR-GFCCVEGCSA-N 1 0 339.823 3.243 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC[C@@H]2Cc2ccccc2)c1 ZINC000136898870 1293823938 /nfs/dbraw/zinc/82/39/38/1293823938.db2.gz CANSPPZPFVUBSR-MJGOQNOKSA-N 1 0 326.396 3.335 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CC[C@@H](Cc3ccccc3)C2)c1 ZINC000154359345 1294051854 /nfs/dbraw/zinc/05/18/54/1294051854.db2.gz RZOVODWCMZRNTK-LPHOPBHVSA-N 1 0 326.396 3.193 20 5 EGBDRO O=[N+]([O-])c1cc(CNc2cccnc2N2CCOCC2)ccc1Cl ZINC000158150319 1294197208 /nfs/dbraw/zinc/19/72/08/1294197208.db2.gz BBIVUIIIKWBODV-UHFFFAOYSA-N 1 0 348.790 3.092 20 5 EGBDRO CC[C@H](NC(=O)[C@H](C)[C@H]([NH3+])c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000162433663 1294315115 /nfs/dbraw/zinc/31/51/15/1294315115.db2.gz QDUSVSUKWKQCDL-BVGQSLNGSA-N 1 0 341.411 3.498 20 5 EGBDRO C[N@H+](CCc1cccs1)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000173407136 1294461815 /nfs/dbraw/zinc/46/18/15/1294461815.db2.gz YGRFBPKAGPJSAL-UHFFFAOYSA-N 1 0 343.412 3.047 20 5 EGBDRO C[C@](O)(C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccco1 ZINC000174528746 1294506302 /nfs/dbraw/zinc/50/63/02/1294506302.db2.gz VXGDIYZGPKREEK-SFHVURJKSA-N 1 0 342.351 3.445 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCCC1CC[NH+](C(C)C)CC1 ZINC000870958463 1296154267 /nfs/dbraw/zinc/15/42/67/1296154267.db2.gz DOKINJWBUDKYCS-UHFFFAOYSA-N 1 0 333.432 3.144 20 5 EGBDRO CCC[N@H+](CC)CCNc1ncc([N+](=O)[O-])c(C)c1Br ZINC000230586796 1296165332 /nfs/dbraw/zinc/16/53/32/1296165332.db2.gz HJPWVIMQLDBJFC-UHFFFAOYSA-N 1 0 345.241 3.205 20 5 EGBDRO CO[C@@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2Br)C1(C)C ZINC000234834893 1296179915 /nfs/dbraw/zinc/17/99/15/1296179915.db2.gz MFMLUNXEKKFNGL-NWDGAFQWSA-N 1 0 343.221 3.260 20 5 EGBDRO COC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1Br)C(C)C ZINC000234721723 1296180369 /nfs/dbraw/zinc/18/03/69/1296180369.db2.gz PLKWZHHXZLNYSF-LLVKDONJSA-N 1 0 331.210 3.118 20 5 EGBDRO C[C@@H](O)C[C@@H]1CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1Br ZINC000235232673 1296182094 /nfs/dbraw/zinc/18/20/94/1296182094.db2.gz AWQXKYBBTKXPDR-PWSUYJOCSA-N 1 0 343.221 3.093 20 5 EGBDRO [NH3+][C@@H]1CN(Cc2ccc([N+](=O)[O-])c(Cl)c2)C[C@H]1c1ccccc1 ZINC000262020323 1296614077 /nfs/dbraw/zinc/61/40/77/1296614077.db2.gz WCHVGBPDYNLLFB-GOEBONIOSA-N 1 0 331.803 3.175 20 5 EGBDRO CC(=O)Nc1ccc(C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)cc1 ZINC000873008385 1297220324 /nfs/dbraw/zinc/22/03/24/1297220324.db2.gz KUZCTOJCDRUUDX-UHFFFAOYSA-N 1 0 327.384 3.460 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]Cc1ccc([S@](C)=O)cc1 ZINC000873072039 1297260432 /nfs/dbraw/zinc/26/04/32/1297260432.db2.gz PMTYTYUAPWYKBY-QHCPKHFHSA-N 1 0 332.425 3.239 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(CN3CC[C@@]4(CCC[NH2+]4)C3)o2)cc1 ZINC000415142121 1297779768 /nfs/dbraw/zinc/77/97/68/1297779768.db2.gz YGGGDEWRPYCIJH-SFHVURJKSA-N 1 0 327.384 3.183 20 5 EGBDRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000746108233 1298533966 /nfs/dbraw/zinc/53/39/66/1298533966.db2.gz JSZMDRPDXMNLFS-VXGBXAGGSA-N 1 0 339.823 3.079 20 5 EGBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC(c3cc4ccccc4[nH]3)CC2)c1 ZINC000746662568 1298635451 /nfs/dbraw/zinc/63/54/51/1298635451.db2.gz FFDNQQXKLQSXMX-UHFFFAOYSA-N 1 0 339.399 3.152 20 5 EGBDRO C[NH+](C)Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2F)cc1F ZINC000749252602 1299179234 /nfs/dbraw/zinc/17/92/34/1299179234.db2.gz YTAOPOSYKJQXNL-UHFFFAOYSA-N 1 0 335.310 3.187 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H]2CCCOc3ccc(F)cc32)c1 ZINC000749684344 1299255452 /nfs/dbraw/zinc/25/54/52/1299255452.db2.gz BLTUXULFOBIFLM-SJORKVTESA-N 1 0 346.358 3.271 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@@H](OCc2ccccn2)C1 ZINC000877645989 1299452850 /nfs/dbraw/zinc/45/28/50/1299452850.db2.gz ZEYUHZSDFZELBP-QGZVFWFLSA-N 1 0 341.411 3.398 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@H](OCc2ccccn2)C1 ZINC000877645983 1299453167 /nfs/dbraw/zinc/45/31/67/1299453167.db2.gz ZEYUHZSDFZELBP-KRWDZBQOSA-N 1 0 341.411 3.398 20 5 EGBDRO C[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)CC1(C)OCCO1 ZINC000877670499 1299467485 /nfs/dbraw/zinc/46/74/85/1299467485.db2.gz SKRNVFJZAGOBKL-NSHDSACASA-N 1 0 328.796 3.127 20 5 EGBDRO COC(=O)CC[C@@H]1CCC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000877822332 1299588268 /nfs/dbraw/zinc/58/82/68/1299588268.db2.gz QZVGTLGUUMWOGN-LBPRGKRZSA-N 1 0 340.807 3.413 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000878134025 1299770088 /nfs/dbraw/zinc/77/00/88/1299770088.db2.gz NZTRDXDRNRDHGT-KRWDZBQOSA-N 1 0 343.431 3.003 20 5 EGBDRO CCc1ccc([C@H](N[C@@H]2CC[N@H+](C)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000753655476 1300001948 /nfs/dbraw/zinc/00/19/48/1300001948.db2.gz TZQOFUHYUHBQOS-RDTXWAMCSA-N 1 0 329.400 3.133 20 5 EGBDRO Cc1csc([C@@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C2CC2)n1 ZINC000754201883 1300105099 /nfs/dbraw/zinc/10/50/99/1300105099.db2.gz ZSUYPRLVRYCBBJ-CABCVRRESA-N 1 0 333.413 3.134 20 5 EGBDRO C[C@@H]1CC[N@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)CCS1 ZINC000754871932 1300236330 /nfs/dbraw/zinc/23/63/30/1300236330.db2.gz IRSPUWVAATYOAT-CYBMUJFWSA-N 1 0 332.429 3.243 20 5 EGBDRO CC1(C)OCC([NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CO1 ZINC000757704293 1300715035 /nfs/dbraw/zinc/71/50/35/1300715035.db2.gz IZJKUBPDHJBGKX-BBRMVZONSA-N 1 0 334.416 3.047 20 5 EGBDRO Cc1nn(CN(C)[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000758262271 1300835769 /nfs/dbraw/zinc/83/57/69/1300835769.db2.gz CEHZUHMWXWWLFH-WBVHZDCISA-N 1 0 348.378 3.048 20 5 EGBDRO C[N@@H+]1CCCC[C@@H]1CCOC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000758731539 1300946680 /nfs/dbraw/zinc/94/66/80/1300946680.db2.gz KLVFZVUMNBUNLX-CQSZACIVSA-N 1 0 345.399 3.036 20 5 EGBDRO C[C@H](CNCc1ccc([N+](=O)[O-])c(Cl)c1)C[NH+]1CCCCC1 ZINC000761522974 1301490196 /nfs/dbraw/zinc/49/01/96/1301490196.db2.gz OGKVSLWADBYBAW-CYBMUJFWSA-N 1 0 325.840 3.460 20 5 EGBDRO CCOc1cccc(NC2CC[NH+](C[C@H]3CCCO3)CC2)c1[N+](=O)[O-] ZINC000762789488 1301749914 /nfs/dbraw/zinc/74/99/14/1301749914.db2.gz GYQNRFKUWVHHJC-OAHLLOKOSA-N 1 0 349.431 3.049 20 5 EGBDRO CCCN(CC[NH+](CC)CC)c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000763550908 1301922665 /nfs/dbraw/zinc/92/26/65/1301922665.db2.gz IVGFOLABKTXSEP-UHFFFAOYSA-N 1 0 348.447 3.038 20 5 EGBDRO C[C@@H](c1ccccc1)[NH+]1CCN(c2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000882810533 1302113738 /nfs/dbraw/zinc/11/37/38/1302113738.db2.gz STHDQGDNTSNAQH-AWEZNQCLSA-N 1 0 326.400 3.060 20 5 EGBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](C)Cc1ccco1 ZINC000764773336 1302132205 /nfs/dbraw/zinc/13/22/05/1302132205.db2.gz GYHLONDIYGOCEC-QWHCGFSZSA-N 1 0 331.372 3.126 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCNC(=O)c1ccc(F)cc1 ZINC000765310085 1302243620 /nfs/dbraw/zinc/24/36/20/1302243620.db2.gz JYUIENVMMCYRFL-CYBMUJFWSA-N 1 0 345.374 3.123 20 5 EGBDRO COCC[N@H+](C)CCCC1CCN(c2ccc(C)cc2[N+](=O)[O-])CC1 ZINC000766427585 1302450824 /nfs/dbraw/zinc/45/08/24/1302450824.db2.gz FPCXAJLBBHYPJG-UHFFFAOYSA-N 1 0 349.475 3.478 20 5 EGBDRO CC(C)[C@@H]([NH3+])C(C)(C)C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000884062537 1302714935 /nfs/dbraw/zinc/71/49/35/1302714935.db2.gz TZYUEQKUBFJTQM-CQSZACIVSA-N 1 0 341.839 3.216 20 5 EGBDRO CC1(C)CCC[N@H+](CCNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000769708469 1303163438 /nfs/dbraw/zinc/16/34/38/1303163438.db2.gz VWPKEFCLHMKFAZ-UHFFFAOYSA-N 1 0 339.823 3.100 20 5 EGBDRO CS[C@@H]1CN(c2ccc([N+](=O)[O-])cc2Cl)C[C@H]1[NH+]1CCCC1 ZINC000772581624 1303550144 /nfs/dbraw/zinc/55/01/44/1303550144.db2.gz VYOIZMBBMSNFJW-HUUCEWRRSA-N 1 0 341.864 3.264 20 5 EGBDRO COCc1cc([N+](=O)[O-])ccc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000774520096 1303819973 /nfs/dbraw/zinc/81/99/73/1303819973.db2.gz ZUPKEGACKWVIPU-UHFFFAOYSA-N 1 0 335.448 3.298 20 5 EGBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000888277548 1304094820 /nfs/dbraw/zinc/09/48/20/1304094820.db2.gz AFNDGVZOABXQCA-UHFFFAOYSA-N 1 0 340.811 3.115 20 5 EGBDRO CC[N@@H+]1CCN(C(=O)Nc2cc([N+](=O)[O-])c(Cl)cc2C)C[C@@H]1C ZINC000888285106 1304101062 /nfs/dbraw/zinc/10/10/62/1304101062.db2.gz VBKZKZJPZSRCPZ-NSHDSACASA-N 1 0 340.811 3.115 20 5 EGBDRO CCO[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C12CCCCC2 ZINC000776157904 1304103791 /nfs/dbraw/zinc/10/37/91/1304103791.db2.gz ULNXCSLBOPBOOL-FGTMMUONSA-N 1 0 348.443 3.346 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC[C@@H]2Cc2ccc(F)cc2)cc1 ZINC000776277495 1304126802 /nfs/dbraw/zinc/12/68/02/1304126802.db2.gz PZPZCZRGIIZZCQ-RTBURBONSA-N 1 0 344.386 3.474 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@H+](CCc2ccc(F)cc2)C2CC2)cc1 ZINC000776583372 1304174569 /nfs/dbraw/zinc/17/45/69/1304174569.db2.gz DWOVXKVOCVQWOC-LJQANCHMSA-N 1 0 344.386 3.474 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH+]2CCC(OC3CCCC3)CC2)cc1 ZINC000776583085 1304174732 /nfs/dbraw/zinc/17/47/32/1304174732.db2.gz ZHEYXHASQMWENT-SFHVURJKSA-N 1 0 334.416 3.052 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3ccc(CF)cc3)C2)nc1 ZINC000777618181 1304325943 /nfs/dbraw/zinc/32/59/43/1304325943.db2.gz VQESLIOIBUDSSB-OAHLLOKOSA-N 1 0 330.363 3.146 20 5 EGBDRO CN(CC[N@H+](C)C/C=C/c1ccccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000779597396 1304584986 /nfs/dbraw/zinc/58/49/86/1304584986.db2.gz SOKLEZPHOQXMJE-CSKARUKUSA-N 1 0 349.431 3.407 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+]CCc2ccccc2[N+](=O)[O-])cc1Cl ZINC000783639964 1305121075 /nfs/dbraw/zinc/12/10/75/1305121075.db2.gz WRQLVEHEAFJMHJ-UHFFFAOYSA-N 1 0 335.747 3.489 20 5 EGBDRO C[C@H](C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)NC(=O)OC(C)(C)C ZINC000785479015 1305361415 /nfs/dbraw/zinc/36/14/15/1305361415.db2.gz SRTBVTUSZVJNKE-CYBMUJFWSA-N 1 0 349.431 3.472 20 5 EGBDRO C[N@@H+]1CCCC[C@H]1CCOC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000785954822 1305481259 /nfs/dbraw/zinc/48/12/59/1305481259.db2.gz RFTSOXLHLBGWEE-ZDUSSCGKSA-N 1 0 340.807 3.208 20 5 EGBDRO CCC(=O)c1ccc(N(CC[NH+](C)C)C2CCCC2)c([N+](=O)[O-])c1 ZINC000786554749 1305596275 /nfs/dbraw/zinc/59/62/75/1305596275.db2.gz LSCIPQXLUUGGFF-UHFFFAOYSA-N 1 0 333.432 3.498 20 5 EGBDRO COc1c(O)ccc(C[NH2+]C[C@@H](C)Oc2cccc(C)c2)c1[N+](=O)[O-] ZINC000892956641 1305626272 /nfs/dbraw/zinc/62/62/72/1305626272.db2.gz VJQGZQPNUYCCSR-CYBMUJFWSA-N 1 0 346.383 3.175 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccc(-n2ccnc2)nc1 ZINC000786808982 1305633611 /nfs/dbraw/zinc/63/36/11/1305633611.db2.gz LUBMETMVSOXPMN-DHDCSXOGSA-N 1 0 349.394 3.369 20 5 EGBDRO C[C@@](O)(C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])c1ccsc1 ZINC000893000257 1305648404 /nfs/dbraw/zinc/64/84/04/1305648404.db2.gz JTIJXJVJVBLEEV-CQSZACIVSA-N 1 0 326.805 3.307 20 5 EGBDRO COc1cccc2c1CC[C@@H]2[NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000893132323 1305724810 /nfs/dbraw/zinc/72/48/10/1305724810.db2.gz NAMMVYLQRTUBBN-AWEZNQCLSA-N 1 0 344.367 3.095 20 5 EGBDRO C[C@H]([NH2+]CCCN1CCc2ccccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788504047 1305958735 /nfs/dbraw/zinc/95/87/35/1305958735.db2.gz FTKOMNBZFJEKGG-AWEZNQCLSA-N 1 0 340.427 3.280 20 5 EGBDRO COc1ccc(C[NH2+][C@H](C(C)C)[C@H](O)c2ccccc2)cc1[N+](=O)[O-] ZINC000788541329 1305967686 /nfs/dbraw/zinc/96/76/86/1305967686.db2.gz VQFCDJKILRNUAK-RTBURBONSA-N 1 0 344.411 3.451 20 5 EGBDRO C[C@H](COc1cccc(F)c1)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788562605 1305971899 /nfs/dbraw/zinc/97/18/99/1305971899.db2.gz LOMKYZFVOPDUPS-VXGBXAGGSA-N 1 0 333.363 3.434 20 5 EGBDRO CC1(C)C[C@H]([NH2+]CCOc2cccnc2)c2cc([N+](=O)[O-])ccc21 ZINC000788581193 1305975763 /nfs/dbraw/zinc/97/57/63/1305975763.db2.gz SETSTKWOMKXPDN-KRWDZBQOSA-N 1 0 327.384 3.381 20 5 EGBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cnn(CC2CCC2)c1 ZINC000894392465 1308852576 /nfs/dbraw/zinc/85/25/76/1308852576.db2.gz ZBTZAAQYJPEYQT-UHFFFAOYSA-N 1 0 328.416 3.266 20 5 EGBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+][C@H](CO)CC(F)F ZINC000894566583 1308956893 /nfs/dbraw/zinc/95/68/93/1308956893.db2.gz MUQOBRWZVJQZSD-QMMMGPOBSA-N 1 0 329.130 3.007 20 5 EGBDRO COc1c(O)ccc(C[NH2+]C[C@H]2CSc3ccccc32)c1[N+](=O)[O-] ZINC000894658550 1309008305 /nfs/dbraw/zinc/00/83/05/1309008305.db2.gz LSNMZNFVOFFHRQ-LBPRGKRZSA-N 1 0 346.408 3.288 20 5 EGBDRO COc1c(O)ccc(C[N@@H+]2CCC[C@@]3(CCSC3)C2)c1[N+](=O)[O-] ZINC000894773921 1309063991 /nfs/dbraw/zinc/06/39/91/1309063991.db2.gz ZJCNQNWOJHRWNQ-MRXNPFEDSA-N 1 0 338.429 3.028 20 5 EGBDRO CC(C)([NH2+]CCOc1ccccc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-] ZINC000795220318 1309700183 /nfs/dbraw/zinc/70/01/83/1309700183.db2.gz LBHPNPYXUGURGB-UHFFFAOYSA-N 1 0 345.355 3.407 20 5 EGBDRO Cc1nc(CC2CC[NH+](C/C=C/c3ccccc3[N+](=O)[O-])CC2)no1 ZINC000896551470 1309913237 /nfs/dbraw/zinc/91/32/37/1309913237.db2.gz OJLHMVVQNIBBFA-GQCTYLIASA-N 1 0 342.399 3.254 20 5 EGBDRO CCNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000796172981 1309927711 /nfs/dbraw/zinc/92/77/11/1309927711.db2.gz SWAGDCIBZGLPLF-HNNXBMFYSA-N 1 0 335.404 3.004 20 5 EGBDRO COc1ccc(C[NH2+][C@H](C)[C@@H](O)c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000796480461 1310011943 /nfs/dbraw/zinc/01/19/43/1310011943.db2.gz MBGPUNIXWGOPRW-FZKQIMNGSA-N 1 0 330.384 3.124 20 5 EGBDRO CCOc1cc(C[N@@H+]2CC[C@H](c3ccccn3)C2)ccc1[N+](=O)[O-] ZINC000799190314 1310502437 /nfs/dbraw/zinc/50/24/37/1310502437.db2.gz OPKYSAHYRURGTE-HNNXBMFYSA-N 1 0 327.384 3.378 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CCO)Cc2ccccc2)c(Cl)c1 ZINC000799348991 1310533913 /nfs/dbraw/zinc/53/39/13/1310533913.db2.gz AWUUHJWSYPKUTR-HNNXBMFYSA-N 1 0 334.803 3.332 20 5 EGBDRO Cc1ncccc1CC[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000898257411 1310650107 /nfs/dbraw/zinc/65/01/07/1310650107.db2.gz UTFWDMNDHKFCIH-UHFFFAOYSA-N 1 0 337.326 3.232 20 5 EGBDRO Cc1cc(F)cc2c1C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000800472634 1310764832 /nfs/dbraw/zinc/76/48/32/1310764832.db2.gz WPTSWMQFLSGBGL-GOSISDBHSA-N 1 0 330.359 3.134 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)c1C ZINC000898578737 1310794658 /nfs/dbraw/zinc/79/46/58/1310794658.db2.gz LORVJXLMOOMPHY-CQSZACIVSA-N 1 0 333.432 3.062 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC2CC[NH+](CC3CC3)CC2)c1C ZINC000898991324 1310899785 /nfs/dbraw/zinc/89/97/85/1310899785.db2.gz WJIYMISYMGQEFD-UHFFFAOYSA-N 1 0 345.443 3.063 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000801602079 1310973319 /nfs/dbraw/zinc/97/33/19/1310973319.db2.gz VRDNGJJXNHKXHW-UHFFFAOYSA-N 1 0 345.355 3.186 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000820158166 1319843161 /nfs/dbraw/zinc/84/31/61/1319843161.db2.gz HKGJQBJSGSKENH-MRXNPFEDSA-N 1 0 345.443 3.302 20 5 EGBDRO CCn1ccnc1[C@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000825005958 1320303303 /nfs/dbraw/zinc/30/33/03/1320303303.db2.gz WDDCORQNAUIQEU-AWEZNQCLSA-N 1 0 343.431 3.131 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C(=O)NCC[N@@H+](C)C2CCCC2)cc1Cl ZINC000836635231 1320516029 /nfs/dbraw/zinc/51/60/29/1320516029.db2.gz UAGZPLBGLPNAFG-UHFFFAOYSA-N 1 0 339.823 3.161 20 5 EGBDRO CC[N@H+](CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C1CCCC1 ZINC000839465618 1320925452 /nfs/dbraw/zinc/92/54/52/1320925452.db2.gz RJTMUQBZMAETFO-UHFFFAOYSA-N 1 0 325.796 3.451 20 5 EGBDRO CC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000804326067 1317219099 /nfs/dbraw/zinc/21/90/99/1317219099.db2.gz FIEIRSUKPZHUDD-KRWDZBQOSA-N 1 0 341.411 3.382 20 5 EGBDRO C[C@H]1C[C@@H](Nc2ccc(N)cc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000804545510 1317258263 /nfs/dbraw/zinc/25/82/63/1317258263.db2.gz YYKDOSVYQJNGPW-XJKSGUPXSA-N 1 0 326.400 3.252 20 5 EGBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]Cc2nc3c(s2)CCC3)n1 ZINC000903191467 1317670054 /nfs/dbraw/zinc/67/00/54/1317670054.db2.gz XNMAVWAOMLCBNE-AAEUAGOBSA-N 1 0 347.444 3.010 20 5 EGBDRO CC(C)c1ccc(C[NH2+][C@@H]2COc3ccccc3[C@H]2O)cc1[N+](=O)[O-] ZINC000808454106 1317679779 /nfs/dbraw/zinc/67/97/79/1317679779.db2.gz MDBRGOWILBWFQM-VQIMIIECSA-N 1 0 342.395 3.302 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]Cc1ccc(CCO)cc1)C1CC1 ZINC000903396218 1317695877 /nfs/dbraw/zinc/69/58/77/1317695877.db2.gz KYHSJGQVKHMSNT-LJQANCHMSA-N 1 0 340.423 3.241 20 5 EGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@@H]1CCCN1CC(F)F ZINC000858231732 1328717726 /nfs/dbraw/zinc/71/77/26/1328717726.db2.gz PHJALEOPCQVBHM-LBPRGKRZSA-N 1 0 333.766 3.067 20 5 EGBDRO Cc1nn(C(C)(C)C)c(C)c1CN(CC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000809734424 1317882741 /nfs/dbraw/zinc/88/27/41/1317882741.db2.gz GMRMSPGGAVMUCB-UHFFFAOYSA-N 1 0 345.447 3.128 20 5 EGBDRO CC(C)Oc1ccccc1CN(CC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000809735266 1317882829 /nfs/dbraw/zinc/88/28/29/1317882829.db2.gz YKCGNUFDEGEZMX-UHFFFAOYSA-N 1 0 329.400 3.347 20 5 EGBDRO COc1ccc(Cl)cc1CN(CC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000809734619 1317882995 /nfs/dbraw/zinc/88/29/95/1317882995.db2.gz IREFSWHIJIZYAO-UHFFFAOYSA-N 1 0 335.791 3.222 20 5 EGBDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000858328067 1328738193 /nfs/dbraw/zinc/73/81/93/1328738193.db2.gz JWTHTVBSLTYXNA-DDJMYBDESA-N 1 0 347.415 3.207 20 5 EGBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]CCOC[C@H]1CCOC1 ZINC000811477649 1318181797 /nfs/dbraw/zinc/18/17/97/1318181797.db2.gz BIFGSCBBXBXHIQ-JTQLQIEISA-N 1 0 349.214 3.044 20 5 EGBDRO CC(C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)=C1CCCC1 ZINC001021957200 1318749195 /nfs/dbraw/zinc/74/91/95/1318749195.db2.gz NKDOFHSGSVGCGV-CALCHBBNSA-N 1 0 343.427 3.222 20 5 EGBDRO C[C@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000912807846 1318936857 /nfs/dbraw/zinc/93/68/57/1318936857.db2.gz QLZYQDRWQMXKRP-RVKKMQEKSA-N 1 0 347.459 3.277 20 5 EGBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)N[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815565454 1319016417 /nfs/dbraw/zinc/01/64/17/1319016417.db2.gz OQUFZAIZNGJZLU-LXTVHRRPSA-N 1 0 334.464 3.194 20 5 EGBDRO C[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815568680 1319017493 /nfs/dbraw/zinc/01/74/93/1319017493.db2.gz QCKCXGXPLZNCCT-SNVBAGLBSA-N 1 0 348.790 3.120 20 5 EGBDRO Cc1ccc([C@@H](C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)N(C)C)cc1 ZINC000815570609 1319017900 /nfs/dbraw/zinc/01/79/00/1319017900.db2.gz IEXJMUWMUYGZTJ-AUUYWEPGSA-N 1 0 342.443 3.439 20 5 EGBDRO COc1ccc(CC[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)c(OC)c1 ZINC000815571861 1319017930 /nfs/dbraw/zinc/01/79/30/1319017930.db2.gz OFCZIWMIPGUTDW-LBPRGKRZSA-N 1 0 345.399 3.088 20 5 EGBDRO C[C@H](CN(C)Cc1ccccc1)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815600694 1319026510 /nfs/dbraw/zinc/02/65/10/1319026510.db2.gz CBZJPKLDZVCPBV-CABCVRRESA-N 1 0 342.443 3.348 20 5 EGBDRO CC(C)C[NH+]1CCC(NC(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000913990388 1319207996 /nfs/dbraw/zinc/20/79/96/1319207996.db2.gz JJCKBJIUSYFSEI-CQSZACIVSA-N 1 0 348.447 3.075 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000930317940 1328832184 /nfs/dbraw/zinc/83/21/84/1328832184.db2.gz YNPPTVRWTLSQLW-AWEZNQCLSA-N 1 0 334.420 3.065 20 5 EGBDRO Cc1ccc(CSCC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000818941961 1319582872 /nfs/dbraw/zinc/58/28/72/1319582872.db2.gz UXSLSPDRESNLHV-GOSISDBHSA-N 1 0 346.452 3.460 20 5 EGBDRO Cc1cccc(C)c1OC[C@@H](C)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818975265 1319600631 /nfs/dbraw/zinc/60/06/31/1319600631.db2.gz VJVAEXBXLGINPU-QAPCUYQASA-N 1 0 344.411 3.302 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H]2CCCOc3ccccc32)c1 ZINC000818993600 1319608634 /nfs/dbraw/zinc/60/86/34/1319608634.db2.gz KLSYFMLKPBORFV-IRXDYDNUSA-N 1 0 328.368 3.132 20 5 EGBDRO CC(C)c1nc(CC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cs1 ZINC000819002264 1319611690 /nfs/dbraw/zinc/61/16/90/1319611690.db2.gz IXWMCOQIZDWCSX-OAHLLOKOSA-N 1 0 335.429 3.040 20 5 EGBDRO CC(C)[C@H](CNC[C@H](O)c1cccc([N+](=O)[O-])c1)[NH+]1CCCCCC1 ZINC000819018499 1319614038 /nfs/dbraw/zinc/61/40/38/1319614038.db2.gz YPOMSZCQHXEMKY-OALUTQOASA-N 1 0 349.475 3.118 20 5 EGBDRO Cc1cc(C)cc(C[C@H](C)[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000819110627 1319637523 /nfs/dbraw/zinc/63/75/23/1319637523.db2.gz FSENINYMRWKCML-KXBFYZLASA-N 1 0 328.412 3.466 20 5 EGBDRO CO[C@H](c1ccccc1F)[C@@H](C)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819210904 1319669086 /nfs/dbraw/zinc/66/90/86/1319669086.db2.gz ZQUPETAAZARSNN-UUWFMWQGSA-N 1 0 348.374 3.133 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H]2CCCOc3c(F)cccc32)c1 ZINC000819213994 1319670375 /nfs/dbraw/zinc/67/03/75/1319670375.db2.gz NBLJOZDEHMHXIA-SJORKVTESA-N 1 0 346.358 3.271 20 5 EGBDRO CC(C)n1cc2c(n1)[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)CCC2 ZINC000819218367 1319672198 /nfs/dbraw/zinc/67/21/98/1319672198.db2.gz OCBSUEZQWYHTTH-DLBZAZTESA-N 1 0 344.415 3.073 20 5 EGBDRO CCOc1cccc([C@@H]2C[C@H]2[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000819282073 1319687859 /nfs/dbraw/zinc/68/78/59/1319687859.db2.gz SVXMYCMRMAWHLA-IPMKNSEASA-N 1 0 342.395 3.173 20 5 EGBDRO CSc1ccc(CC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000819282550 1319688458 /nfs/dbraw/zinc/68/84/58/1319688458.db2.gz IGZRYKPUDPRJKB-KRWDZBQOSA-N 1 0 332.425 3.182 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H]2C[C@H](c3cccc(F)c3)C2)c1 ZINC000819282666 1319688531 /nfs/dbraw/zinc/68/85/31/1319688531.db2.gz KXASKGLKGDZGIO-ZVZYQTTQSA-N 1 0 330.359 3.303 20 5 EGBDRO Cc1cc(CC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)ccc1Cl ZINC000819324767 1319697855 /nfs/dbraw/zinc/69/78/55/1319697855.db2.gz RHOBEMMVMXXQNQ-QGZVFWFLSA-N 1 0 334.803 3.422 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2CCO[C@@H](c3cccs3)C2)cc1 ZINC000819353479 1319708292 /nfs/dbraw/zinc/70/82/92/1319708292.db2.gz YGNIBYOXYNXDMB-FVQBIDKESA-N 1 0 348.424 3.200 20 5 EGBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000916874254 1319718280 /nfs/dbraw/zinc/71/82/80/1319718280.db2.gz UESGPVAHXXBRHS-HUUCEWRRSA-N 1 0 348.447 3.075 20 5 EGBDRO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000821455124 1320014344 /nfs/dbraw/zinc/01/43/44/1320014344.db2.gz NPBZMDWULBXUFL-AEFFLSMTSA-N 1 0 345.443 3.174 20 5 EGBDRO C[C@H](O)c1ncc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)s1 ZINC000824820772 1320288539 /nfs/dbraw/zinc/28/85/39/1320288539.db2.gz MMXJIARGYUJDEI-JSGCOSHPSA-N 1 0 347.440 3.484 20 5 EGBDRO Cc1cc(Cl)c(C(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)cc1[N+](=O)[O-] ZINC000825669785 1320353526 /nfs/dbraw/zinc/35/35/26/1320353526.db2.gz AJFKPJNOWSZOIH-GFCCVEGCSA-N 1 0 339.823 3.159 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C(=O)OC[C@@H]2CCCC[N@@H+]2C(C)C)c1 ZINC000837466623 1320623787 /nfs/dbraw/zinc/62/37/87/1320623787.db2.gz AOYOKWDXGHODHD-ZDUSSCGKSA-N 1 0 336.388 3.023 20 5 EGBDRO CC[NH+](CC)CCOC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000837957440 1320713297 /nfs/dbraw/zinc/71/32/97/1320713297.db2.gz BKIGDRMOEHYYLU-UHFFFAOYSA-N 1 0 334.294 3.112 20 5 EGBDRO C[C@@H](CCCc1cccnc1)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000839144627 1320879613 /nfs/dbraw/zinc/87/96/13/1320879613.db2.gz IQCKLILUETZWIU-KBXCAEBGSA-N 1 0 329.400 3.024 20 5 EGBDRO CO[C@H]1C[C@@H]([N@H+](C)Cn2nc(C)c3ccc([N+](=O)[O-])cc32)C12CCC2 ZINC000840143669 1321038223 /nfs/dbraw/zinc/03/82/23/1321038223.db2.gz WKDPDEJYZYWMRC-SJORKVTESA-N 1 0 344.415 3.100 20 5 EGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@H](CO)c2ccc(F)cc2)c1 ZINC000840964510 1321189298 /nfs/dbraw/zinc/18/92/98/1321189298.db2.gz WYBZMBRMJXWPAR-CYBMUJFWSA-N 1 0 338.766 3.253 20 5 EGBDRO O=[N+]([O-])c1ccc(CN2CC[NH2+]C[C@H]2c2ccccc2)cc1Cl ZINC000841100616 1321218387 /nfs/dbraw/zinc/21/83/87/1321218387.db2.gz IULYKCUEERPVOU-KRWDZBQOSA-N 1 0 331.803 3.395 20 5 EGBDRO [NH3+][C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2Cl)C[C@H]1c1cccc(F)c1 ZINC000841103726 1321219018 /nfs/dbraw/zinc/21/90/18/1321219018.db2.gz JTOVQCZRHOHFRJ-DOTOQJQBSA-N 1 0 349.793 3.314 20 5 EGBDRO CC(C)[N@@H+]1CCC[C@H](COC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000842836554 1321440250 /nfs/dbraw/zinc/44/02/50/1321440250.db2.gz PSBHQVHHGBZDKL-ZDUSSCGKSA-N 1 0 345.399 3.353 20 5 EGBDRO Cc1cccc2nc(CC[NH2+][C@H](C)c3ccc(N)c([N+](=O)[O-])c3)cn21 ZINC000842933715 1321450283 /nfs/dbraw/zinc/45/02/83/1321450283.db2.gz QZYINAIQLMEVSW-CYBMUJFWSA-N 1 0 339.399 3.026 20 5 EGBDRO CC(C)[C@H]([NH3+])c1noc([C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000843149164 1321478711 /nfs/dbraw/zinc/47/87/11/1321478711.db2.gz AXLSDSAXZHZLDC-PELKAZGASA-N 1 0 340.767 3.427 20 5 EGBDRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1c(C)c(F)ccc1[N+](=O)[O-] ZINC000843772304 1321546252 /nfs/dbraw/zinc/54/62/52/1321546252.db2.gz QWSDNQSRXKXKEJ-LBPRGKRZSA-N 1 0 339.411 3.283 20 5 EGBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000843804094 1321549445 /nfs/dbraw/zinc/54/94/45/1321549445.db2.gz DXINMNKUCWAMBE-CQSZACIVSA-N 1 0 349.406 3.133 20 5 EGBDRO Cc1cc(Cl)c(C(=O)N2[C@H](C)C[N@H+](C)[C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000844642578 1321629410 /nfs/dbraw/zinc/62/94/10/1321629410.db2.gz JTZVMYHNZDQMKZ-WOPDTQHZSA-N 1 0 339.823 3.110 20 5 EGBDRO O=[N+]([O-])c1cc(F)c(Cl)cc1NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000845500726 1321713629 /nfs/dbraw/zinc/71/36/29/1321713629.db2.gz BECQVJWXKLEWCO-NSHDSACASA-N 1 0 343.786 3.053 20 5 EGBDRO C[NH+](C)CCC1CCN(C(=O)c2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000859362760 1328975693 /nfs/dbraw/zinc/97/56/93/1328975693.db2.gz KOXWKBBWEDRXIO-UHFFFAOYSA-N 1 0 339.823 3.052 20 5 EGBDRO C[C@@H](C[NH+]1CCCC1)OC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000845665571 1321730971 /nfs/dbraw/zinc/73/09/71/1321730971.db2.gz WMXSGLLNVBOSIU-JTQLQIEISA-N 1 0 346.305 3.255 20 5 EGBDRO CCCC[N@H+](CCOC)Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000848477931 1321962626 /nfs/dbraw/zinc/96/26/26/1321962626.db2.gz CQODQNXRGXMRKM-UHFFFAOYSA-N 1 0 332.404 3.164 20 5 EGBDRO CC[C@H](C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000848552685 1321975107 /nfs/dbraw/zinc/97/51/07/1321975107.db2.gz GBSUDRDVCHFRRR-IUODEOHRSA-N 1 0 349.431 3.475 20 5 EGBDRO C[C@@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)OC(C)(C)C ZINC000848566385 1321977821 /nfs/dbraw/zinc/97/78/21/1321977821.db2.gz WPUKJEKJOUYREQ-JTQLQIEISA-N 1 0 328.796 3.316 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@](C)(O)c1cccs1 ZINC000850438765 1322249801 /nfs/dbraw/zinc/24/98/01/1322249801.db2.gz ZHWRTWKHIGRYBD-BDJLRTHQSA-N 1 0 336.413 3.223 20 5 EGBDRO O=C(NCCCCCCC[NH+]1CCCC1)c1ccc([N+](=O)[O-])s1 ZINC000921086561 1322253274 /nfs/dbraw/zinc/25/32/74/1322253274.db2.gz FURYBOSYUJBXMS-UHFFFAOYSA-N 1 0 339.461 3.432 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@](O)(c2ccccc2)C1 ZINC000859582625 1329025120 /nfs/dbraw/zinc/02/51/20/1329025120.db2.gz JDHHMLJTZOPWJY-LJQANCHMSA-N 1 0 342.395 3.087 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCO[C@H]3CCOC3)s2)cc1 ZINC000922940445 1322654483 /nfs/dbraw/zinc/65/44/83/1322654483.db2.gz ZPWGMLGEELCSNM-HNNXBMFYSA-N 1 0 348.424 3.218 20 5 EGBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000852018952 1323133358 /nfs/dbraw/zinc/13/33/58/1323133358.db2.gz UWMUADGDDXWXMN-UHFFFAOYSA-N 1 0 333.319 3.317 20 5 EGBDRO C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](CO)Cc1ccccc1 ZINC000852287218 1323173004 /nfs/dbraw/zinc/17/30/04/1323173004.db2.gz DIUMUFPNTDEKNW-HNNXBMFYSA-N 1 0 334.803 3.284 20 5 EGBDRO COc1cc(N2CCC([NH+]3CCCCC3)CC2)c([N+](=O)[O-])cc1C ZINC000853189153 1325058426 /nfs/dbraw/zinc/05/84/26/1325058426.db2.gz KOOSJNIYVONHDC-UHFFFAOYSA-N 1 0 333.432 3.367 20 5 EGBDRO C[N@@H+]1CCC[C@H]2CN(c3ccc(C(F)F)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000853449612 1325094612 /nfs/dbraw/zinc/09/46/12/1325094612.db2.gz SVXKFUMCBWAYGT-STQMWFEESA-N 1 0 325.359 3.453 20 5 EGBDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000855898883 1325427774 /nfs/dbraw/zinc/42/77/74/1325427774.db2.gz XTJLWGCELWMGDW-GFCCVEGCSA-N 1 0 339.823 3.098 20 5 EGBDRO COCCC1CC[NH+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)CC1 ZINC000863269819 1329542460 /nfs/dbraw/zinc/54/24/60/1329542460.db2.gz PPLPJUJRHHFOHB-UHFFFAOYSA-N 1 0 344.415 3.164 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H]1CC2(CCC2)Oc2ccccc21 ZINC000932212995 1329796779 /nfs/dbraw/zinc/79/67/79/1329796779.db2.gz MLNXHHUERZUVNE-HNNXBMFYSA-N 1 0 342.399 3.136 20 5 EGBDRO O=C(CC[NH2+][C@@H](c1ccncc1)C1CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000934692076 1330000329 /nfs/dbraw/zinc/00/03/29/1330000329.db2.gz PBOPWYZDYNDQSS-GOSISDBHSA-N 1 0 340.383 3.059 20 5 EGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1nn(C)c2ccccc12 ZINC000866341496 1330098864 /nfs/dbraw/zinc/09/88/64/1330098864.db2.gz YIGLRTAQHMMVDY-LBPRGKRZSA-N 1 0 342.374 3.341 20 5 EGBDRO CCCC(=O)N1CCC(C[N@H+](C)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001029925903 1341122554 /nfs/dbraw/zinc/12/25/54/1341122554.db2.gz QDXZNKCSOJCCNR-UHFFFAOYSA-N 1 0 333.432 3.065 20 5 EGBDRO CC(C)(C)CC(=O)N1CC2(C1)CC[N@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC001072477504 1355304975 /nfs/dbraw/zinc/30/49/75/1355304975.db2.gz QEDIFUGRTQWZKZ-UHFFFAOYSA-N 1 0 345.443 3.065 20 5 EGBDRO CN(C)c1ncccc1C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001324378175 1387613683 /nfs/dbraw/zinc/61/36/83/1387613683.db2.gz KRAZUDIVWPPTJZ-INIZCTEOSA-N 1 0 340.427 3.435 20 5 EGBDRO CC[C@H]([NH2+]CCC(=O)N1CCC[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC001324944132 1387838721 /nfs/dbraw/zinc/83/87/21/1387838721.db2.gz CRHFJQIFUKODAW-PBHICJAKSA-N 1 0 333.432 3.284 20 5 EGBDRO O=C(NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCCC1)C1CCC1 ZINC001115376363 1370416578 /nfs/dbraw/zinc/41/65/78/1370416578.db2.gz PACJJSXKVHVIRS-UHFFFAOYSA-N 1 0 345.443 3.304 20 5 EGBDRO Cc1nn(C[N@@H+]2CC[C@@H]3CCCC[C@H]3C2)c2ncc([N+](=O)[O-])cc12 ZINC001116207974 1370859421 /nfs/dbraw/zinc/85/94/21/1370859421.db2.gz HDWMBXHNYUZWGT-KBPBESRZSA-N 1 0 329.404 3.118 20 5 EGBDRO CCCC1CC[NH+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC001116328190 1370887466 /nfs/dbraw/zinc/88/74/66/1370887466.db2.gz GZAPPAVBTASMMD-KRWDZBQOSA-N 1 0 331.416 3.212 20 5 EGBDRO Cc1c(COC(=O)c2ccc3c[nH+]cn3c2C)cccc1[N+](=O)[O-] ZINC001116580935 1370941234 /nfs/dbraw/zinc/94/12/34/1370941234.db2.gz IXLJWTFTVPWZSU-UHFFFAOYSA-N 1 0 325.324 3.216 20 5 EGBDRO COc1cc(C[N@H+](C)[C@H]2CC[C@@H](SC)C2)c([N+](=O)[O-])cc1F ZINC001116607644 1370944873 /nfs/dbraw/zinc/94/48/73/1370944873.db2.gz YQOAAFKFGAAZDY-NWDGAFQWSA-N 1 0 328.409 3.458 20 5 EGBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@@H]([NH3+])C1CCCCC1 ZINC001326277384 1388140260 /nfs/dbraw/zinc/14/02/60/1388140260.db2.gz LPDFCJJQLAOHAR-HNNXBMFYSA-N 1 0 339.823 3.114 20 5 EGBDRO CC[NH+](CC)CC[C@@H](C)NC(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001122094936 1372173608 /nfs/dbraw/zinc/17/36/08/1372173608.db2.gz SYFIEPVTEVETIP-ZIAGYGMSSA-N 1 0 336.436 3.075 20 5 EGBDRO COc1ncc(Nc2cc[nH+]cc2Oc2ccccc2)cc1[N+](=O)[O-] ZINC001210134506 1372278064 /nfs/dbraw/zinc/27/80/64/1372278064.db2.gz IBMJOAOAZAERJZ-UHFFFAOYSA-N 1 0 338.323 3.351 20 5 EGBDRO O[C@@H]1C[NH2+]CCN(Cc2c3ccccc3c(Cl)c3ccccc32)C1 ZINC001210475813 1372362468 /nfs/dbraw/zinc/36/24/68/1372362468.db2.gz PFSPTQZLZMUZQG-CQSZACIVSA-N 1 0 340.854 3.413 20 5 EGBDRO C[NH+]1CCN(Cc2ccc(Nc3ccc(F)cc3[N+](=O)[O-])cc2)CC1 ZINC001210953623 1372459816 /nfs/dbraw/zinc/45/98/16/1372459816.db2.gz LRUDMKXOBZTJNT-UHFFFAOYSA-N 1 0 344.390 3.225 20 5 EGBDRO Nc1cn(-c2ccc(F)c([N+](=O)[O-])c2)cc(-c2cccc(F)c2)c1=[NH2+] ZINC001211190578 1372497039 /nfs/dbraw/zinc/49/70/39/1372497039.db2.gz FOTLIROGOGGSMD-UHFFFAOYSA-N 1 0 342.305 3.392 20 5 EGBDRO O=[N+]([O-])c1cc(O[C@H]2CCCC[NH2+]C2)c(Br)cc1F ZINC001217969585 1373521741 /nfs/dbraw/zinc/52/17/41/1373521741.db2.gz XOYKGQANLGGYFE-QMMMGPOBSA-N 1 0 333.157 3.017 20 5 EGBDRO O=[N+]([O-])c1cc([N+](=O)[O-])c(O[C@H]2CCCC[NH2+]C2)c2ccccc21 ZINC001217971454 1373522776 /nfs/dbraw/zinc/52/27/76/1373522776.db2.gz URDNLTLZWXINCG-NSHDSACASA-N 1 0 331.328 3.177 20 5 EGBDRO Cc1cc(Br)c(O[C@H]2CCC[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC001217993710 1373529703 /nfs/dbraw/zinc/52/97/03/1373529703.db2.gz SCDZFBMCNNQRMR-MFKMUULPSA-N 1 0 343.221 3.433 20 5 EGBDRO C[C@@H]1C[NH2+]CCC[C@H]1Oc1cc(N2CCCCC2)ccc1[N+](=O)[O-] ZINC001217996074 1373530089 /nfs/dbraw/zinc/53/00/89/1373530089.db2.gz PMNQQQCHTUXODD-RHSMWYFYSA-N 1 0 333.432 3.352 20 5 EGBDRO C[C@@H](Oc1ccc(Br)c([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC001218001913 1373531613 /nfs/dbraw/zinc/53/16/13/1373531613.db2.gz HXPJPDPRADVECZ-SECBINFHSA-N 1 0 329.194 3.124 20 5 EGBDRO C[C@@H](Oc1c(Br)c(F)ccc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC001218011205 1373536932 /nfs/dbraw/zinc/53/69/32/1373536932.db2.gz YFOZBAFZYVGDJK-MRVPVSSYSA-N 1 0 347.184 3.263 20 5 EGBDRO O=c1c2ccccc2oc2cc(O[C@@H]3CC[NH2+]CC[C@H]3F)ccc12 ZINC001218013804 1373537439 /nfs/dbraw/zinc/53/74/39/1373537439.db2.gz CTTYHZNFZRFWCW-NVXWUHKLSA-N 1 0 327.355 3.415 20 5 EGBDRO O=c1c2ccccc2oc2cc(O[C@@H]3CC[NH2+]CC[C@@H]3F)ccc12 ZINC001218013802 1373537628 /nfs/dbraw/zinc/53/76/28/1373537628.db2.gz CTTYHZNFZRFWCW-DOTOQJQBSA-N 1 0 327.355 3.415 20 5 EGBDRO C[C@@H]1CC[NH2+]CC[C@@H]1Oc1cc([N+](=O)[O-])c(Br)cc1F ZINC001218025319 1373541155 /nfs/dbraw/zinc/54/11/55/1373541155.db2.gz SUDYJSKAPASGRZ-PELKAZGASA-N 1 0 347.184 3.263 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2cccc(OC[C@@H]3CCC4(C[NH2+]C4)O3)c2)c1 ZINC001218073533 1373555835 /nfs/dbraw/zinc/55/58/35/1373555835.db2.gz LIQRSZMFLZMZNM-SFHVURJKSA-N 1 0 340.379 3.162 20 5 EGBDRO O=[N+]([O-])c1ccc(Br)c(O[C@H]2CCC23CC[NH2+]CC3)c1 ZINC001218081574 1373556528 /nfs/dbraw/zinc/55/65/28/1373556528.db2.gz UVYYOJLSOMAZRL-ZDUSSCGKSA-N 1 0 341.205 3.268 20 5 EGBDRO O=[N+]([O-])c1ccc(Br)c(O[C@@H]2CCC[C@@]23CC[NH2+]C3)c1 ZINC001218089803 1373557617 /nfs/dbraw/zinc/55/76/17/1373557617.db2.gz KLWWHDBKQRDQCE-KGLIPLIRSA-N 1 0 341.205 3.268 20 5 EGBDRO O=[N+]([O-])c1cc(Br)ccc1O[C@H]1CCC[C@@]12CC[NH2+]C2 ZINC001218089917 1373557684 /nfs/dbraw/zinc/55/76/84/1373557684.db2.gz BJLYJGLEDGSCCI-KBPBESRZSA-N 1 0 341.205 3.268 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(O[C@@H]3CC[C@@H]4[NH2+]CCO[C@@H]34)cc2)cc1 ZINC001218127302 1373565870 /nfs/dbraw/zinc/56/58/70/1373565870.db2.gz FZPAZXTYRWKHFD-IPMKNSEASA-N 1 0 340.379 3.160 20 5 EGBDRO O=[N+]([O-])c1cccc(Br)c1O[C@@H]1CCC[C@@H]2C[NH2+]C[C@@H]21 ZINC001218144405 1373568408 /nfs/dbraw/zinc/56/84/08/1373568408.db2.gz PQQAGUTWJRUFOF-GBIKHYSHSA-N 1 0 341.205 3.124 20 5 EGBDRO C[NH2+][C@H]1CC[C@H](Oc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC001218188392 1373574701 /nfs/dbraw/zinc/57/47/01/1373574701.db2.gz YXVRBTIZFFMKMZ-MGCOHNPYSA-N 1 0 329.194 3.267 20 5 EGBDRO C[NH2+][C@H]1CC[C@H](Oc2ccc([N+](=O)[O-])c(Br)c2)CC1 ZINC001218189436 1373574935 /nfs/dbraw/zinc/57/49/35/1373574935.db2.gz UVWLIROZPCJWLN-MGCOHNPYSA-N 1 0 329.194 3.267 20 5 EGBDRO O=[N+]([O-])c1cc(O[C@@H]2CC[NH2+]C3(CCC3)C2)ccc1Br ZINC001218308080 1373592406 /nfs/dbraw/zinc/59/24/06/1373592406.db2.gz VFBCINNRCCYPRU-LLVKDONJSA-N 1 0 341.205 3.411 20 5 EGBDRO O=[N+]([O-])c1ccc(O[C@H]2CC[NH2+]C3(CCC3)C2)c(Br)c1 ZINC001218308563 1373592316 /nfs/dbraw/zinc/59/23/16/1373592316.db2.gz XZXJKJDSCVVQSW-NSHDSACASA-N 1 0 341.205 3.411 20 5 EGBDRO CC1(C)C[NH2+]CC[C@@H]1Oc1cc(N2CCCCC2)ccc1[N+](=O)[O-] ZINC001218317663 1373594419 /nfs/dbraw/zinc/59/44/19/1373594419.db2.gz QCZXZJPDOJTOKY-KRWDZBQOSA-N 1 0 333.432 3.352 20 5 EGBDRO CCC(=O)[C@H]1C[C@@H](Oc2ccc(-c3ccccc3[N+](=O)[O-])cc2)C[NH2+]1 ZINC001218326573 1373596981 /nfs/dbraw/zinc/59/69/81/1373596981.db2.gz APLFQCMIZWXTMU-NVXWUHKLSA-N 1 0 340.379 3.350 20 5 EGBDRO Cc1cc(Br)cc([N+](=O)[O-])c1O[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001218399671 1373607126 /nfs/dbraw/zinc/60/71/26/1373607126.db2.gz PXSYVOPDUAQGMZ-KOLCDFICSA-N 1 0 329.194 3.185 20 5 EGBDRO O=[N+]([O-])c1cc([N+](=O)[O-])c(O[C@H]2C[NH2+]CCC23CC3)c2ccccc21 ZINC001218407385 1373609548 /nfs/dbraw/zinc/60/95/48/1373609548.db2.gz VODQGVVVQGUBMH-HNNXBMFYSA-N 1 0 343.339 3.177 20 5 EGBDRO Cc1cc(O[C@@H]2CC[C@H]3C[NH2+]C[C@@H]32)c([N+](=O)[O-])cc1Br ZINC001218475599 1373621490 /nfs/dbraw/zinc/62/14/90/1373621490.db2.gz ZAAXDIPTAUTOIU-OUJBWJOFSA-N 1 0 341.205 3.043 20 5 EGBDRO O=c1cc(O[C@H]2C[NH2+]Cc3ccccc32)c2cc([N+](=O)[O-])ccc2[nH]1 ZINC001218488570 1373624592 /nfs/dbraw/zinc/62/45/92/1373624592.db2.gz YNGKPNDUIGJIDH-KRWDZBQOSA-N 1 0 337.335 3.072 20 5 EGBDRO CCC(=O)c1cc([N+](=O)[O-])ccc1O[C@H]1C[NH2+]Cc2ccccc21 ZINC001218492143 1373625035 /nfs/dbraw/zinc/62/50/35/1373625035.db2.gz ZRYIYVSUGUXKKJ-SFHVURJKSA-N 1 0 326.352 3.411 20 5 EGBDRO CC1(CC(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC001131140962 1373649916 /nfs/dbraw/zinc/64/99/16/1373649916.db2.gz ZZYKNINPWACJQN-UHFFFAOYSA-N 1 0 333.432 3.161 20 5 EGBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CCCCCCC1 ZINC001131145847 1373652392 /nfs/dbraw/zinc/65/23/92/1373652392.db2.gz NHAJKGZTPIVOQU-UHFFFAOYSA-N 1 0 333.432 3.161 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C(=O)N2CC[NH+](C(C)(C)C)CC2)cc1Cl ZINC001326670274 1388275006 /nfs/dbraw/zinc/27/50/06/1388275006.db2.gz MIQCFRWFGUYPKA-UHFFFAOYSA-N 1 0 339.823 3.113 20 5 EGBDRO [NH3+]Cc1ccc(NC(=O)c2ccnc3c2ccc2cccnc23)cc1 ZINC001219356866 1373703564 /nfs/dbraw/zinc/70/35/64/1373703564.db2.gz HYNVNRFYJJQFIC-UHFFFAOYSA-N 1 0 328.375 3.494 20 5 EGBDRO O=C(CC1CCC1)NCC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001222756095 1373867078 /nfs/dbraw/zinc/86/70/78/1373867078.db2.gz JGFHKFYGHNIVRE-UHFFFAOYSA-N 1 0 345.443 3.113 20 5 EGBDRO O=C(CC1CCC1)NCC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001222755882 1373867803 /nfs/dbraw/zinc/86/78/03/1373867803.db2.gz DMWOLBLMBPAEPL-UHFFFAOYSA-N 1 0 345.443 3.113 20 5 EGBDRO CC1(CC(=O)NCC2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001223853908 1375045836 /nfs/dbraw/zinc/04/58/36/1375045836.db2.gz AAKIMUKBMBHFKX-UHFFFAOYSA-N 1 0 345.443 3.113 20 5 EGBDRO C[NH+](C)C1CCC(Oc2ncc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC001225845393 1375163333 /nfs/dbraw/zinc/16/33/33/1375163333.db2.gz GLGCPWHHPGYRAF-UHFFFAOYSA-N 1 0 333.310 3.260 20 5 EGBDRO CC/C=C(/C)C(=O)NC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001226360774 1375246225 /nfs/dbraw/zinc/24/62/25/1375246225.db2.gz IOWWBGZFTOQCNW-NSIKDUERSA-N 1 0 331.416 3.032 20 5 EGBDRO C[C@@H](C[N+](C)(C)C)Oc1cccc2c1CCN(C(=O)OC(C)(C)C)C2 ZINC001226544918 1375278907 /nfs/dbraw/zinc/27/89/07/1375278907.db2.gz FEHPEAFEVLUZFV-HNNXBMFYSA-N 1 0 349.495 3.453 20 5 EGBDRO Cc1cc([N+](=O)[O-])cnc1O[C@H]1CCC[N@@H+]([C@H](C)c2ccccn2)C1 ZINC001226763771 1375327677 /nfs/dbraw/zinc/32/76/77/1375327677.db2.gz BOSQYCOGBHYPSL-ZBFHGGJFSA-N 1 0 342.399 3.298 20 5 EGBDRO C[C@H](Oc1cccc([N+](=O)[O-])c1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001226763310 1375327823 /nfs/dbraw/zinc/32/78/23/1375327823.db2.gz PPVWRZVOVHZZMC-KXBFYZLASA-N 1 0 342.395 3.263 20 5 EGBDRO COC(=O)c1ccc([N+](=O)[O-])c(O[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)c1 ZINC001227044936 1375381938 /nfs/dbraw/zinc/38/19/38/1375381938.db2.gz RZAIMJNJVSRSGT-FICVDOATSA-N 1 0 348.399 3.164 20 5 EGBDRO C[NH+](C)[C@H]1CC[C@H](Oc2nc(C(F)(F)F)ccc2[N+](=O)[O-])CC1 ZINC001227246445 1375411738 /nfs/dbraw/zinc/41/17/38/1375411738.db2.gz HCURVIHTSHRCLE-MGCOHNPYSA-N 1 0 333.310 3.260 20 5 EGBDRO C[NH+]1CCC2(CC[C@H](COc3ccc([N+](=O)[O-])c(Cl)c3)O2)CC1 ZINC001228757498 1375666794 /nfs/dbraw/zinc/66/67/94/1375666794.db2.gz UYHAOTYQWBEQDP-CYBMUJFWSA-N 1 0 340.807 3.270 20 5 EGBDRO O=[N+]([O-])c1ccncc1O[C@H]1CCN(Cc2ccccc2Cl)C1 ZINC001228881526 1375704398 /nfs/dbraw/zinc/70/43/98/1375704398.db2.gz GIYGSDDLAVFYHM-ZDUSSCGKSA-N 1 0 333.775 3.297 20 5 EGBDRO CCCC(CCC)C(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001133023691 1375718551 /nfs/dbraw/zinc/71/85/51/1375718551.db2.gz SUTUQLZTSWIMNT-UHFFFAOYSA-N 1 0 327.450 3.079 20 5 EGBDRO CCCc1ccc(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])cc1 ZINC001133089568 1375767934 /nfs/dbraw/zinc/76/79/34/1375767934.db2.gz KGFNZOTYSCYAQE-UHFFFAOYSA-N 1 0 341.411 3.067 20 5 EGBDRO CC(C)C1(C(=O)NC2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001229124030 1375768278 /nfs/dbraw/zinc/76/82/78/1375768278.db2.gz AOKCIRSNMHPLGQ-UHFFFAOYSA-N 1 0 345.443 3.112 20 5 EGBDRO CC(C)C1(C(=O)NC2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)CC1 ZINC001229130970 1375771455 /nfs/dbraw/zinc/77/14/55/1375771455.db2.gz WOZWVZGWNAJMSP-UHFFFAOYSA-N 1 0 345.443 3.112 20 5 EGBDRO CC(C)[N@@H+]1CCC[C@@H](Oc2cc(Br)cnc2[N+](=O)[O-])C1 ZINC001229559815 1375854899 /nfs/dbraw/zinc/85/48/99/1375854899.db2.gz JTMPRUWDONWSMY-LLVKDONJSA-N 1 0 344.209 3.004 20 5 EGBDRO CC(=O)c1cc(Br)c(C)cc1O[C@@H](C)C[N+](C)(C)C ZINC001229586928 1375860127 /nfs/dbraw/zinc/86/01/27/1375860127.db2.gz DVCVHOUPZQIDAZ-NSHDSACASA-N 1 0 329.258 3.434 20 5 EGBDRO Cc1ccc(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])c(Cl)c1 ZINC001134164824 1376395915 /nfs/dbraw/zinc/39/59/15/1376395915.db2.gz DWXSUGZDWJRSBA-UHFFFAOYSA-N 1 0 347.802 3.076 20 5 EGBDRO CC[NH+]1C[C@H]2CN(Cc3ccc4ccc5cccnc5c4n3)C[C@@H]2C1 ZINC001232227641 1376419190 /nfs/dbraw/zinc/41/91/90/1376419190.db2.gz JUEBHLUIGQHOTO-ROUUACIJSA-N 1 0 332.451 3.167 20 5 EGBDRO CC(C)CCCCCC(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001134786004 1376720215 /nfs/dbraw/zinc/72/02/15/1376720215.db2.gz MLZBMAWMYILHOX-UHFFFAOYSA-N 1 0 335.448 3.407 20 5 EGBDRO Cc1cc(F)c(OC[C@H]2CCC3(CC[NH+](C)CC3)O2)cc1[N+](=O)[O-] ZINC001234056794 1376761225 /nfs/dbraw/zinc/76/12/25/1376761225.db2.gz NGSIXSSNBMWMCN-CYBMUJFWSA-N 1 0 338.379 3.065 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001327536726 1388554605 /nfs/dbraw/zinc/55/46/05/1388554605.db2.gz AJXUDNVFHOAANH-ZBFHGGJFSA-N 1 0 334.420 3.152 20 5 EGBDRO C[NH+](C)C[C@H]1COCCN1C(=O)c1c2ccccc2cc2ccccc21 ZINC001153490061 1380084341 /nfs/dbraw/zinc/08/43/41/1380084341.db2.gz COWIHTDAGKHBNT-SFHVURJKSA-N 1 0 348.446 3.396 20 5 EGBDRO CC1(C)CCC(CC(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001153869722 1380147092 /nfs/dbraw/zinc/14/70/92/1380147092.db2.gz GSPHQWDQDRRNPJ-UHFFFAOYSA-N 1 0 347.459 3.407 20 5 EGBDRO CC1(C)CCC(CC(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001153869995 1380147203 /nfs/dbraw/zinc/14/72/03/1380147203.db2.gz OHTDWFQFPAEWQX-UHFFFAOYSA-N 1 0 347.459 3.407 20 5 EGBDRO O=[N+]([O-])c1cccc2ncnc(N[C@@H]3CC[NH2+][C@H]3c3ccccc3)c21 ZINC001155553045 1380467502 /nfs/dbraw/zinc/46/75/02/1380467502.db2.gz KIWJPKHZARJZOT-PBHICJAKSA-N 1 0 335.367 3.053 20 5 EGBDRO O=[N+]([O-])c1c(Cl)ccnc1NCc1cccnc1C1CC[NH2+]CC1 ZINC001155994873 1380511750 /nfs/dbraw/zinc/51/17/50/1380511750.db2.gz JYDKNSOSYAAJFX-UHFFFAOYSA-N 1 0 347.806 3.117 20 5 EGBDRO CN(Cc1ccc(-n2ccnc2)cc1)c1cc(Cl)cc([N+](=O)[O-])n1 ZINC001156782795 1380633801 /nfs/dbraw/zinc/63/38/01/1380633801.db2.gz FBQWKDBGCBSPCO-UHFFFAOYSA-N 1 0 343.774 3.465 20 5 EGBDRO Cc1nc(N(Cc2ccccc2)[C@@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC001157426617 1380886191 /nfs/dbraw/zinc/88/61/91/1380886191.db2.gz SUWRHAAFBWJBTK-MRXNPFEDSA-N 1 0 326.400 3.057 20 5 EGBDRO O=[N+]([O-])c1c(Cl)cc(Cl)nc1N1CCCC[C@@]12CCC[NH2+]C2 ZINC001157471788 1380922800 /nfs/dbraw/zinc/92/28/00/1380922800.db2.gz OIMCUQBUMMHFTA-AWEZNQCLSA-N 1 0 345.230 3.409 20 5 EGBDRO [NH3+][C@H]1CN(C(=O)CCc2c3ccccc3cc3ccccc32)C[C@H]1F ZINC001157538168 1380958273 /nfs/dbraw/zinc/95/82/73/1380958273.db2.gz ISVYXXCUGJCJFT-UXHICEINSA-N 1 0 336.410 3.433 20 5 EGBDRO C[NH2+]CCN(C(C)(C)C)C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1 ZINC001157825834 1381044357 /nfs/dbraw/zinc/04/43/57/1381044357.db2.gz UWRAXNVDWKZUJD-UHFFFAOYSA-N 1 0 336.770 3.012 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(N(c2ccncc2F)C2CC[NH2+]CC2)n1 ZINC001158340311 1381207000 /nfs/dbraw/zinc/20/70/00/1381207000.db2.gz RKIQLUYKLQONAO-UHFFFAOYSA-N 1 0 345.378 3.031 20 5 EGBDRO O=[N+]([O-])c1ccc(NCC[C@H]2CCC[NH2+]2)nc1-c1ccc(F)cc1 ZINC001158632641 1381332306 /nfs/dbraw/zinc/33/23/06/1381332306.db2.gz WQMGCBSRBAFHTI-CQSZACIVSA-N 1 0 330.363 3.350 20 5 EGBDRO C[C@@]1(C[NH3+])CCCN(c2cc3ccc(Cl)nc3cc2[N+](=O)[O-])C1 ZINC001158684785 1381352534 /nfs/dbraw/zinc/35/25/34/1381352534.db2.gz UKBSMEFOMMQWRZ-INIZCTEOSA-N 1 0 334.807 3.362 20 5 EGBDRO O=[N+]([O-])c1cc(F)cc(Nc2ccc(N3CC[NH2+]CC3)c(F)c2)c1 ZINC001159539414 1381822568 /nfs/dbraw/zinc/82/25/68/1381822568.db2.gz LUQINTYVESYDAV-UHFFFAOYSA-N 1 0 334.326 3.026 20 5 EGBDRO COc1ccc(Nc2ccc(OC3CC[NH2+]CC3)cc2)cc1[N+](=O)[O-] ZINC001159622379 1381851658 /nfs/dbraw/zinc/85/16/58/1381851658.db2.gz LOLOPQXROYAJSS-UHFFFAOYSA-N 1 0 343.383 3.478 20 5 EGBDRO CCOC(=O)c1cc(Nc2cccc3c2C[NH2+]C3)cc([N+](=O)[O-])c1 ZINC001159766743 1381894491 /nfs/dbraw/zinc/89/44/91/1381894491.db2.gz GUSCRCXHBUSKFQ-UHFFFAOYSA-N 1 0 327.340 3.118 20 5 EGBDRO Nc1ccccc1N(CC1CC[NH2+]CC1)c1ccccc1[N+](=O)[O-] ZINC001159894762 1381930927 /nfs/dbraw/zinc/93/09/27/1381930927.db2.gz IPRZBFZYFSUCEC-UHFFFAOYSA-N 1 0 326.400 3.315 20 5 EGBDRO O=[N+]([O-])/C=C/c1ccc(Nc2ccc(O[C@@H]3CC[NH2+]C3)cc2)cc1 ZINC001159919260 1381936067 /nfs/dbraw/zinc/93/60/67/1381936067.db2.gz KFFVOQUJBPYUPA-NCUBBLFSSA-N 1 0 325.368 3.418 20 5 EGBDRO O=[N+]([O-])c1cc(F)ccc1Nc1c(F)cccc1N1CC[NH2+]CC1 ZINC001160057545 1381985134 /nfs/dbraw/zinc/98/51/34/1381985134.db2.gz NZLINEJZCQKBOC-UHFFFAOYSA-N 1 0 334.326 3.026 20 5 EGBDRO Cc1ncc([N+](=O)[O-])cc1Nc1cccc(O[C@@H]2CCC[NH2+]C2)c1 ZINC001160217091 1382037325 /nfs/dbraw/zinc/03/73/25/1382037325.db2.gz IGRSCQBQRUYLEM-MRXNPFEDSA-N 1 0 328.372 3.173 20 5 EGBDRO [NH3+]Cc1cccc2ccn(-c3ccc(-c4ccccc4[N+](=O)[O-])nn3)c21 ZINC001160459541 1382109800 /nfs/dbraw/zinc/10/98/00/1382109800.db2.gz RJEAGJZXKFWFQL-UHFFFAOYSA-N 1 0 345.362 3.454 20 5 EGBDRO O=[N+]([O-])c1cccc2nc(N[C@H]3CC[NH2+]C[C@@H]3C(F)(F)F)ccc21 ZINC001160736370 1382181473 /nfs/dbraw/zinc/18/14/73/1382181473.db2.gz CJJBFTNOBBCURW-JQWIXIFHSA-N 1 0 340.305 3.095 20 5 EGBDRO [NH3+]Cc1ccccc1CNc1cc([N+](=O)[O-])cc2c(Cl)ncnc12 ZINC001160912226 1382232400 /nfs/dbraw/zinc/23/24/00/1382232400.db2.gz HNJMMNFDHFFQGT-UHFFFAOYSA-N 1 0 343.774 3.262 20 5 EGBDRO O=[N+]([O-])c1cnc(Cl)cc1NC1CC[NH+](Cc2ccncc2)CC1 ZINC001161101351 1382296284 /nfs/dbraw/zinc/29/62/84/1382296284.db2.gz XXXFJNQXJCVDFN-UHFFFAOYSA-N 1 0 347.806 3.115 20 5 EGBDRO Cc1cc(N[C@H]2CC[N@@H+](C3CCC3)C2)nc2ccc([N+](=O)[O-])cc12 ZINC001161175118 1382325106 /nfs/dbraw/zinc/32/51/06/1382325106.db2.gz BPVOQQAZSRIGTB-ZDUSSCGKSA-N 1 0 326.400 3.490 20 5 EGBDRO COc1cc(C)nc(NCC2CC[NH+](CC3CCC3)CC2)c1[N+](=O)[O-] ZINC001161232855 1382350448 /nfs/dbraw/zinc/35/04/48/1382350448.db2.gz ASMJGRASWRTVDO-UHFFFAOYSA-N 1 0 348.447 3.231 20 5 EGBDRO [NH3+]C1(CC2CCC2)CCN(c2cnc3ccc([N+](=O)[O-])cc3n2)CC1 ZINC001161570170 1382441731 /nfs/dbraw/zinc/44/17/31/1382441731.db2.gz WNVOPVBCUIPLLY-UHFFFAOYSA-N 1 0 341.415 3.026 20 5 EGBDRO C[NH+](C)CCOc1cc(NC2Cc3ccccc3C2)ccc1[N+](=O)[O-] ZINC001161762277 1382498431 /nfs/dbraw/zinc/49/84/31/1382498431.db2.gz CKXABVNEJBXCBH-UHFFFAOYSA-N 1 0 341.411 3.115 20 5 EGBDRO [NH3+]Cc1ccnn1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC001162594068 1382802199 /nfs/dbraw/zinc/80/21/99/1382802199.db2.gz YXJPXKMRXBLKQU-UHFFFAOYSA-N 1 0 326.381 3.390 20 5 EGBDRO O=[N+]([O-])c1c(NCc2ccc3c(c2)CC[NH2+]C3)ccc2ncccc21 ZINC001162810384 1382881091 /nfs/dbraw/zinc/88/10/91/1382881091.db2.gz RJCLVMNEYZKKFB-UHFFFAOYSA-N 1 0 334.379 3.401 20 5 EGBDRO COC(=O)c1ccc([N+](=O)[O-])c(-n2ccc3cc([C@@H](C)[NH3+])ccc32)c1 ZINC001162913876 1382914332 /nfs/dbraw/zinc/91/43/32/1382914332.db2.gz MMUHRUVYZLKLTO-LLVKDONJSA-N 1 0 339.351 3.345 20 5 EGBDRO [NH3+][C@H]1COC[C@H]1Nc1cnc2c3ccccc3c3ccccc3c2n1 ZINC001162917041 1382916011 /nfs/dbraw/zinc/91/60/11/1382916011.db2.gz KFBACEWYZFLTMC-DLBZAZTESA-N 1 0 330.391 3.074 20 5 EGBDRO c1ccc2c(c1)nc(NC[C@H]1OC[C@H]3C[NH2+]CC[C@H]31)c1ccccc21 ZINC001163177148 1382985095 /nfs/dbraw/zinc/98/50/95/1382985095.db2.gz BSHXUVNHTNWZEI-STXHMFSFSA-N 1 0 333.435 3.424 20 5 EGBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)c2ccccc21 ZINC001163290352 1383013232 /nfs/dbraw/zinc/01/32/32/1383013232.db2.gz IHMTZGLNXYTCAV-KUHUBIRLSA-N 1 0 341.411 3.319 20 5 EGBDRO CC(C)(C)c1ccc(N[C@@H]2CCO[C@@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC001163323678 1383022603 /nfs/dbraw/zinc/02/26/03/1383022603.db2.gz PDWMORQHNADFPV-KDOFPFPSSA-N 1 0 333.432 3.215 20 5 EGBDRO CC(C)[N@@H+]1CC[C@H](Nc2ncnc3cccc([N+](=O)[O-])c32)[C@H](C)C1 ZINC001163371462 1383035197 /nfs/dbraw/zinc/03/51/97/1383035197.db2.gz QULLNJYYUXZMQK-OLZOCXBDSA-N 1 0 329.404 3.069 20 5 EGBDRO CC[N+](C)(C)Cc1ccccc1NC[C@@H](O)COc1ccccc1 ZINC001163812830 1383124888 /nfs/dbraw/zinc/12/48/88/1383124888.db2.gz RBAKVYMXFCZTCK-GOSISDBHSA-N 1 0 329.464 3.135 20 5 EGBDRO C[NH+](C)Cc1cccc(CNc2ncnc3sc([N+](=O)[O-])cc32)c1 ZINC001163993182 1383143931 /nfs/dbraw/zinc/14/39/31/1383143931.db2.gz GZQBYUHRFAADDR-UHFFFAOYSA-N 1 0 343.412 3.273 20 5 EGBDRO C[NH+](C)Cc1cccc(CNc2ccc3nsnc3c2[N+](=O)[O-])c1 ZINC001163994441 1383144256 /nfs/dbraw/zinc/14/42/56/1383144256.db2.gz JXWVSLJTCZSUNN-UHFFFAOYSA-N 1 0 343.412 3.273 20 5 EGBDRO C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1c1cc([N+](=O)[O-])ccn1 ZINC001165202731 1383247840 /nfs/dbraw/zinc/24/78/40/1383247840.db2.gz ZFYWACVNRWSJRE-GJZGRUSLSA-N 1 0 326.400 3.089 20 5 EGBDRO O=[N+]([O-])c1cc2ccccc2nc1N1CCCCC12CC[NH2+]CC2 ZINC001165339298 1383277055 /nfs/dbraw/zinc/27/70/55/1383277055.db2.gz VLBGUFGBNODZSB-UHFFFAOYSA-N 1 0 326.400 3.256 20 5 EGBDRO CC1(C(=O)NCCC2(C[NH2+]Cc3cccc([N+](=O)[O-])c3)CC2)CCC1 ZINC001166614583 1383447340 /nfs/dbraw/zinc/44/73/40/1383447340.db2.gz RUJVCVZBTSJTEM-UHFFFAOYSA-N 1 0 345.443 3.161 20 5 EGBDRO O=[N+]([O-])c1c(Cl)ncnc1NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC001166864634 1383489410 /nfs/dbraw/zinc/48/94/10/1383489410.db2.gz FCFBKLGZVKZFAE-ZDUSSCGKSA-N 1 0 347.806 3.287 20 5 EGBDRO Cc1cnc(-n2c3ccc(F)cc3c3c2CC[NH2+]C3)c([N+](=O)[O-])c1 ZINC001167085127 1383536229 /nfs/dbraw/zinc/53/62/29/1383536229.db2.gz PEOBKBFBEVHERD-UHFFFAOYSA-N 1 0 326.331 3.027 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(OC(C)C)cc1-n1nc(C[NH3+])c2ccccc21 ZINC001167700450 1383715171 /nfs/dbraw/zinc/71/51/71/1383715171.db2.gz JEPUEDBCDJNMIZ-UHFFFAOYSA-N 1 0 340.383 3.488 20 5 EGBDRO Cc1cc(NC2(C)CC[NH2+]CC2)c([N+](=O)[O-])cc1Br ZINC001168188251 1383838771 /nfs/dbraw/zinc/83/87/71/1383838771.db2.gz QATKDQOMNNRQBP-UHFFFAOYSA-N 1 0 328.210 3.220 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(F)c(Br)c2)C1 ZINC001168959042 1384070324 /nfs/dbraw/zinc/07/03/24/1384070324.db2.gz SRUMAPDWQWUFLO-GHMZBOCLSA-N 1 0 331.185 3.123 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CCc2ccc(Br)cc2)C1 ZINC001168965106 1384072972 /nfs/dbraw/zinc/07/29/72/1384072972.db2.gz YDQNRTBZRBMKQV-OCCSQVGLSA-N 1 0 327.222 3.027 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CCc2ccc(Br)cc2)C1 ZINC001168965107 1384072999 /nfs/dbraw/zinc/07/29/99/1384072999.db2.gz YDQNRTBZRBMKQV-TZMCWYRMSA-N 1 0 327.222 3.027 20 5 EGBDRO O=C(c1ccccc1)c1ccc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001168968489 1384073286 /nfs/dbraw/zinc/07/32/86/1384073286.db2.gz ZKHFLJDZGQFZRS-QFBILLFUSA-N 1 0 338.407 3.453 20 5 EGBDRO Cc1c(Br)cccc1C[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168987762 1384080402 /nfs/dbraw/zinc/08/04/02/1384080402.db2.gz KCEJWOIOUWTDJY-YPMHNXCESA-N 1 0 327.222 3.293 20 5 EGBDRO CC(C)(C)OC(=O)C1(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCCCC1 ZINC001169002300 1384084313 /nfs/dbraw/zinc/08/43/13/1384084313.db2.gz KHQIGBZIPWZHNR-LSDHHAIUSA-N 1 0 340.464 3.314 20 5 EGBDRO COc1cccc(CC2(C[NH2+][C@H]3CC[C@H](C[N+](=O)[O-])C3)CCC2)c1 ZINC001169000304 1384084374 /nfs/dbraw/zinc/08/43/74/1384084374.db2.gz XKQUMTWSSFEETE-IRXDYDNUSA-N 1 0 332.444 3.443 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCC(OCc3ccccc3F)CC2)C1 ZINC001169028515 1384093304 /nfs/dbraw/zinc/09/33/04/1384093304.db2.gz SUDBETSXJHKJSR-GDBMZVCRSA-N 1 0 336.407 3.252 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCC(Oc3ccc(F)cc3F)CC2)C1 ZINC001169030313 1384094569 /nfs/dbraw/zinc/09/45/69/1384094569.db2.gz YPBDFXNKOSAKMH-OCCSQVGLSA-N 1 0 340.370 3.253 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCC(COc3ccc(F)cc3)CC2)C1 ZINC001169039936 1384098082 /nfs/dbraw/zinc/09/80/82/1384098082.db2.gz VZLVPBAPGOBPMP-RDJZCZTQSA-N 1 0 336.407 3.362 20 5 EGBDRO O=C(c1ccccc1F)C1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169057446 1384102004 /nfs/dbraw/zinc/10/20/04/1384102004.db2.gz VJPBUKBXAGSMDC-DZGCQCFKSA-N 1 0 334.391 3.166 20 5 EGBDRO CC1(C)C[C@@H](Nc2cc([N+](=O)[O-])c3nccn3c2)C[C@](C)(C[NH3+])C1 ZINC001169146470 1384114876 /nfs/dbraw/zinc/11/48/76/1384114876.db2.gz QYAQYQWTMPUHSU-DYVFJYSZSA-N 1 0 331.420 3.198 20 5 EGBDRO Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1ncnc(Cl)c1[N+](=O)[O-] ZINC001169684642 1384173702 /nfs/dbraw/zinc/17/37/02/1384173702.db2.gz VDPIDADDDIHABL-LLVKDONJSA-N 1 0 333.779 3.278 20 5 EGBDRO COc1ccc(C[C@H](C)NC(=[NH2+])c2cc(F)cc(F)c2)c([N+](=O)[O-])c1 ZINC001170297852 1384285334 /nfs/dbraw/zinc/28/53/34/1384285334.db2.gz UMPURYUFBBDSQN-JTQLQIEISA-N 1 0 349.337 3.428 20 5 EGBDRO COc1ccc(C[C@@H](C)N(C(N)=[NH2+])c2ccccc2F)c([N+](=O)[O-])c1 ZINC001170307550 1384287195 /nfs/dbraw/zinc/28/71/95/1384287195.db2.gz HKJDYGOGPSHCBB-LLVKDONJSA-N 1 0 346.362 3.074 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H](C)CCCC(C)(C)O)c([N+](=O)[O-])c1 ZINC001170304922 1384287287 /nfs/dbraw/zinc/28/72/87/1384287287.db2.gz HXYLLSFVVIEDLB-UONOGXRCSA-N 1 0 338.448 3.454 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+][C@@H]2CCN(C3CCCC3)C2)c([N+](=O)[O-])c1 ZINC001170319779 1384289855 /nfs/dbraw/zinc/28/98/55/1384289855.db2.gz YZHWSENDKGYIGM-GOEBONIOSA-N 1 0 347.459 3.141 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+]Cc2ncc(Cl)s2)c([N+](=O)[O-])c1 ZINC001170318961 1384290211 /nfs/dbraw/zinc/29/02/11/1384290211.db2.gz UCQULBQCHJVLBN-VIFPVBQESA-N 1 0 341.820 3.434 20 5 EGBDRO COc1ccc(C[C@@H](C)N2CCC([NH3+])(CC3CC3)CC2)c([N+](=O)[O-])c1 ZINC001170323845 1384291199 /nfs/dbraw/zinc/29/11/99/1384291199.db2.gz MOLSPCWLXMTPKG-CQSZACIVSA-N 1 0 347.459 3.128 20 5 EGBDRO CCOc1cccc(C[NH2+][C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])n1 ZINC001170323734 1384291657 /nfs/dbraw/zinc/29/16/57/1384291657.db2.gz LXGMPDAUHXUILM-ZDUSSCGKSA-N 1 0 345.399 3.118 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+][C@@H](C)c2ccnc(OC)c2)c([N+](=O)[O-])c1 ZINC001170326547 1384292247 /nfs/dbraw/zinc/29/22/47/1384292247.db2.gz MESPAKUGYRZNIN-STQMWFEESA-N 1 0 345.399 3.289 20 5 EGBDRO COc1ccc(C[C@@H](C)[N@@H+]2CC(C)(C)C[C@@]2(C)CO)c([N+](=O)[O-])c1 ZINC001170335462 1384294630 /nfs/dbraw/zinc/29/46/30/1384294630.db2.gz OAHXJLYXUHYPRO-ACJLOTCBSA-N 1 0 336.432 3.017 20 5 EGBDRO COc1ccc(C[C@H](C)[N@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3OC)c([N+](=O)[O-])c1 ZINC001170341541 1384295260 /nfs/dbraw/zinc/29/52/60/1384295260.db2.gz KIQGLUYASRUFIO-OIWLHUINSA-N 1 0 348.443 3.281 20 5 EGBDRO [NH3+][C@H]1CCc2c3ccccc3n(-c3nc(Cl)ccc3[N+](=O)[O-])c2C1 ZINC001171094597 1384444455 /nfs/dbraw/zinc/44/44/55/1384444455.db2.gz PVLFPPNEFAJQOF-JTQLQIEISA-N 1 0 342.786 3.403 20 5 EGBDRO COc1ccnc(-n2cc(C[C@@H](C)[NH3+])c3ccc(C)cc32)c1[N+](=O)[O-] ZINC001171164037 1384458591 /nfs/dbraw/zinc/45/85/91/1384458591.db2.gz GIFNPNOXQZKRDZ-GFCCVEGCSA-N 1 0 340.383 3.140 20 5 EGBDRO COc1c(F)cc(-n2c(CC[NH3+])cc3ccccc32)cc1[N+](=O)[O-] ZINC001171304069 1384489915 /nfs/dbraw/zinc/48/99/15/1384489915.db2.gz CXBJLEGZOUTHCZ-UHFFFAOYSA-N 1 0 329.331 3.188 20 5 EGBDRO CC[N+](C)(C)Cc1ccccc1NCc1ccc(-n2cccn2)nc1 ZINC001171434523 1384522940 /nfs/dbraw/zinc/52/29/40/1384522940.db2.gz APSGZAKVPZTQAK-UHFFFAOYSA-N 1 0 336.463 3.476 20 5 EGBDRO C[C@H]1CC[C@H](C(=O)NCCC[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001171661758 1384594814 /nfs/dbraw/zinc/59/48/14/1384594814.db2.gz STVRUNVHENGPCD-SHTZXODSSA-N 1 0 333.432 3.017 20 5 EGBDRO O=C(NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 ZINC001171844953 1384659360 /nfs/dbraw/zinc/65/93/60/1384659360.db2.gz YVBPQHNRENVYRZ-UHFFFAOYSA-N 1 0 347.802 3.158 20 5 EGBDRO CC(C)c1nc(CC[NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)no1 ZINC001172896784 1384873547 /nfs/dbraw/zinc/87/35/47/1384873547.db2.gz RTCFLJYGQFTGOU-OAHLLOKOSA-N 1 0 344.415 3.181 20 5 EGBDRO C[C@](CO)([NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1ccccc1 ZINC001172902870 1384874498 /nfs/dbraw/zinc/87/44/98/1384874498.db2.gz MPAWKYLJFZYGPG-UYAOXDASSA-N 1 0 340.423 3.340 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1CC[C@]3(C1)CCCCO3)CC2 ZINC001172904400 1384874888 /nfs/dbraw/zinc/87/48/88/1384874888.db2.gz NDPHEFBKNCRCPF-HKUYNNGSSA-N 1 0 330.428 3.487 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@H]1CCN(CC3CCC3)C1)CC2 ZINC001172906960 1384875494 /nfs/dbraw/zinc/87/54/94/1384875494.db2.gz ZKTGVZBVMNSXGR-MOPGFXCFSA-N 1 0 343.471 3.306 20 5 EGBDRO COC(=O)[C@@H]1CCC[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)[C@@H]1C ZINC001172912280 1384876024 /nfs/dbraw/zinc/87/60/24/1384876024.db2.gz KLEZBOIWSMSZGX-MZMPZRCHSA-N 1 0 346.427 3.116 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@H+](CCO)Cc1cccs1)CC2 ZINC001172909886 1384876054 /nfs/dbraw/zinc/87/60/54/1384876054.db2.gz JWBQDZMMULMHCL-MRXNPFEDSA-N 1 0 346.452 3.398 20 5 EGBDRO CCOC(=O)C1(C[NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCC1 ZINC001172912738 1384876406 /nfs/dbraw/zinc/87/64/06/1384876406.db2.gz OXHQYGHIQDWFDW-MRXNPFEDSA-N 1 0 346.427 3.165 20 5 EGBDRO CCOC(=O)[C@@H]1CCC[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172918125 1384878698 /nfs/dbraw/zinc/87/86/98/1384878698.db2.gz YECMDNDHLZTFDK-IAGOWNOFSA-N 1 0 346.427 3.117 20 5 EGBDRO CC(C)[C@H](C)[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173005247 1384896910 /nfs/dbraw/zinc/89/69/10/1384896910.db2.gz AAHNIBRYPKSDAJ-NSHDSACASA-N 1 0 327.375 3.476 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)Nc2cccc(C[NH3+])c2)c1F ZINC001173175132 1384931663 /nfs/dbraw/zinc/93/16/63/1384931663.db2.gz AHGWDFMYKJEPNJ-NSHDSACASA-N 1 0 333.363 3.244 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]Cc2ncc(C)s2)c1F ZINC001173182158 1384932563 /nfs/dbraw/zinc/93/25/63/1384932563.db2.gz IFHFYMPRIOBBTR-VIFPVBQESA-N 1 0 339.392 3.228 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH+]2CCC(C)(OC)CC2)c1F ZINC001173179833 1384932732 /nfs/dbraw/zinc/93/27/32/1384932732.db2.gz HIRNRAYPHHTAIZ-LBPRGKRZSA-N 1 0 340.395 3.174 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCc1ccc2c(c1)OCO2 ZINC001173211244 1384936102 /nfs/dbraw/zinc/93/61/02/1384936102.db2.gz RECJGMHVSVHQLY-ZDUSSCGKSA-N 1 0 328.368 3.087 20 5 EGBDRO COc1cc(CC[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)cc(OC)c1 ZINC001173213694 1384937118 /nfs/dbraw/zinc/93/71/18/1384937118.db2.gz JZKPQGSSFZCXJV-CQSZACIVSA-N 1 0 344.411 3.375 20 5 EGBDRO CC(C)C(=O)N[C@H]1CC[C@H]([NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173225003 1384939217 /nfs/dbraw/zinc/93/92/17/1384939217.db2.gz QHKANCPCFZKQQE-XIRDDKMYSA-N 1 0 347.459 3.199 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCC([NH3+])(c2ccccc2)CC1 ZINC001173225672 1384940066 /nfs/dbraw/zinc/94/00/66/1384940066.db2.gz UOSPGHHZQZVFCX-MRXNPFEDSA-N 1 0 339.439 3.476 20 5 EGBDRO CC(C)[C@@H]1[NH2+]CCc2ncn([C@@H](C)Cc3ccc([N+](=O)[O-])cc3)c21 ZINC001173231040 1384940620 /nfs/dbraw/zinc/94/06/20/1384940620.db2.gz JBEDAUBODIRYGJ-GUYCJALGSA-N 1 0 328.416 3.438 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCC([NH+]2CCCCC2)CC1 ZINC001173228960 1384940727 /nfs/dbraw/zinc/94/07/27/1384940727.db2.gz OMYACLIJQGUULD-MRXNPFEDSA-N 1 0 331.460 3.476 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](CO)Cc1ccccc1Cl ZINC001173233888 1384941722 /nfs/dbraw/zinc/94/17/22/1384941722.db2.gz KRNALBUDNUUAGS-XJKSGUPXSA-N 1 0 348.830 3.372 20 5 EGBDRO CC(=O)Nc1ccc(C[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001173235746 1384941959 /nfs/dbraw/zinc/94/19/59/1384941959.db2.gz UTNNOQXMUITVRV-ZDUSSCGKSA-N 1 0 327.384 3.274 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCC(=O)Nc1ccc(F)cc1 ZINC001173234464 1384942210 /nfs/dbraw/zinc/94/22/10/1384942210.db2.gz OUDDVKBDGTTWIP-CYBMUJFWSA-N 1 0 345.374 3.283 20 5 EGBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C[NH+](C)C)c(F)c1 ZINC001319041239 1385942968 /nfs/dbraw/zinc/94/29/68/1385942968.db2.gz CZDKDTVKQRVCGK-UHFFFAOYSA-N 1 0 346.362 3.090 20 5 EGBDRO CC(C)(F)C(=O)NCCCCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001177742088 1386031707 /nfs/dbraw/zinc/03/17/07/1386031707.db2.gz AZJUXCVORHSVRE-UHFFFAOYSA-N 1 0 345.440 3.171 20 5 EGBDRO C[N@@H+](Cc1cc2ccccc2[nH]1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001319965518 1386422997 /nfs/dbraw/zinc/42/29/97/1386422997.db2.gz NYTWWGBHZBARHY-SFHVURJKSA-N 1 0 325.368 3.242 20 5 EGBDRO C[C@]1(O)CC[N@H+](Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC001320835750 1386732732 /nfs/dbraw/zinc/73/27/32/1386732732.db2.gz COGWRKPFENDFKK-INIZCTEOSA-N 1 0 336.775 3.465 20 5 EGBDRO CC(C)([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC001321060243 1386797522 /nfs/dbraw/zinc/79/75/22/1386797522.db2.gz HUCCDPRWTGKZEI-INIZCTEOSA-N 1 0 336.432 3.283 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCC(=O)N1CCC[C@@H](C)C1 ZINC001321722148 1386966530 /nfs/dbraw/zinc/96/65/30/1386966530.db2.gz OPBAZLGCLLJXFE-DFSFMLJYSA-N 1 0 345.443 3.236 20 5 EGBDRO CS[C@@H]1CC[C@@H]([N@H+](C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC001322156345 1387080229 /nfs/dbraw/zinc/08/02/29/1387080229.db2.gz COBGDOOJXSDDDZ-TZMCWYRMSA-N 1 0 348.428 3.361 20 5 EGBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC(Nc3ccccc3Cl)CC2)c1 ZINC001322853057 1387247155 /nfs/dbraw/zinc/24/71/55/1387247155.db2.gz LFTNBDINBJYWPS-UHFFFAOYSA-N 1 0 349.822 3.021 20 5 EGBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC001336993546 1389230518 /nfs/dbraw/zinc/23/05/18/1389230518.db2.gz LCLFEJOXVZLANG-INIZCTEOSA-N 1 0 348.447 3.047 20 5 EGBDRO COc1ccccc1C1([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001337289526 1389295308 /nfs/dbraw/zinc/29/53/08/1389295308.db2.gz NYDRIZZADDAJEC-KRWDZBQOSA-N 1 0 342.395 3.306 20 5 EGBDRO COc1ccccc1C1([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001337289527 1389295491 /nfs/dbraw/zinc/29/54/91/1389295491.db2.gz NYDRIZZADDAJEC-QGZVFWFLSA-N 1 0 342.395 3.306 20 5 EGBDRO C[NH2+][C@H](C)CCNCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC001331419837 1389740659 /nfs/dbraw/zinc/74/06/59/1389740659.db2.gz SPJARZPRZINLAR-OAHLLOKOSA-N 1 0 342.443 3.450 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(C[NH2+][C@H](CO)CCF)o1 ZINC001332611780 1390140623 /nfs/dbraw/zinc/14/06/23/1390140623.db2.gz XIRSCIAZAOPOES-NSHDSACASA-N 1 0 342.754 3.318 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCc1nc(C(C)C)no1 ZINC001333321327 1390283499 /nfs/dbraw/zinc/28/34/99/1390283499.db2.gz JYWWGBQTPTZZGK-NSHDSACASA-N 1 0 334.376 3.003 20 5 EGBDRO C[C@@H](NC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC001340991431 1390420720 /nfs/dbraw/zinc/42/07/20/1390420720.db2.gz NYXYPWWOJMIKIE-CXAGYDPISA-N 1 0 341.411 3.498 20 5 EGBDRO CCC[N@H+](C)C[C@H]1CCN(c2ncc([N+](=O)[O-])c3ccccc32)C1 ZINC001333907361 1390435297 /nfs/dbraw/zinc/43/52/97/1390435297.db2.gz AYFJLNBPLWXTMJ-CQSZACIVSA-N 1 0 328.416 3.311 20 5 EGBDRO Cc1cncc([N+](=O)[O-])c1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC001341729458 1390522427 /nfs/dbraw/zinc/52/24/27/1390522427.db2.gz VPLPIZHYKXRVCL-UHFFFAOYSA-N 1 0 332.448 3.391 20 5 EGBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cc(C)cc([N+](=O)[O-])c2)C[C@H]1C ZINC001344876021 1390821122 /nfs/dbraw/zinc/82/11/22/1390821122.db2.gz PVANDHIDICQMRW-UKRRQHHQSA-N 1 0 334.420 3.240 20 5 EGBDRO [NH3+]C[C@]12CC[C@H]1CCCN2C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC001345350564 1390856221 /nfs/dbraw/zinc/85/62/21/1390856221.db2.gz ZBPFSNKDZCVVAN-SJKOYZFVSA-N 1 0 345.424 3.153 20 5 EGBDRO COC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001347319398 1391053882 /nfs/dbraw/zinc/05/38/82/1391053882.db2.gz GHVXIIOYCMDQST-ZYHUDNBSSA-N 1 0 347.198 3.333 20 5 EGBDRO O=[N+]([O-])c1cccc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC001164627280 719064636 /nfs/dbraw/zinc/06/46/36/719064636.db2.gz QKSPBCIDMROWNS-IAGOWNOFSA-N 1 0 338.411 3.091 20 5 EGBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1c1ccc2c(ccc(Cl)c2[N+](=O)[O-])n1 ZINC001164643233 719213267 /nfs/dbraw/zinc/21/32/67/719213267.db2.gz YKEIXHRAAOZGFZ-QWRGUYRKSA-N 1 0 334.807 3.325 20 5 EGBDRO O=[N+]([O-])c1cccc(OCC[NH2+]C2(c3nccs3)CCCC2)c1 ZINC000175009743 231365746 /nfs/dbraw/zinc/36/57/46/231365746.db2.gz GUNFQXVNCVOYFY-UHFFFAOYSA-N 1 0 333.413 3.489 20 5 EGBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000175163619 231396230 /nfs/dbraw/zinc/39/62/30/231396230.db2.gz YWKRSCIOUBFYQX-WDEREUQCSA-N 1 0 340.811 3.243 20 5 EGBDRO C[NH+](C)[C@@H](CNC(=O)/C=C\c1cccc([N+](=O)[O-])c1)c1ccsc1 ZINC000098006440 219068129 /nfs/dbraw/zinc/06/81/29/219068129.db2.gz WPUDLXIGMKQMFF-WLMCBFPDSA-N 1 0 345.424 3.089 20 5 EGBDRO CC[C@H]([NH2+]C[C@H](O)COCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000178654130 529619958 /nfs/dbraw/zinc/61/99/58/529619958.db2.gz LYIICXVZKSONBQ-OALUTQOASA-N 1 0 344.411 3.213 20 5 EGBDRO C[C@H]([NH2+]CC(=O)N1CCCc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000178649858 232336433 /nfs/dbraw/zinc/33/64/33/232336433.db2.gz FFXOWEHYNQSJKU-AWEZNQCLSA-N 1 0 339.395 3.225 20 5 EGBDRO C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)[C@@H](c1ccccc1)[NH+](C)C ZINC000187194388 236143181 /nfs/dbraw/zinc/14/31/81/236143181.db2.gz HDZGYWQQUALHFZ-SJCJKPOMSA-N 1 0 345.374 3.155 20 5 EGBDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000072809709 216310364 /nfs/dbraw/zinc/31/03/64/216310364.db2.gz TYQMQRNAVYXBBM-HOTGVXAUSA-N 1 0 345.443 3.321 20 5 EGBDRO O=[N+]([O-])c1cc(Br)ccc1NCC[C@H]1CCC[NH2+]C1 ZINC000111727146 220186085 /nfs/dbraw/zinc/18/60/85/220186085.db2.gz OHJNBZAERZGARP-SNVBAGLBSA-N 1 0 328.210 3.159 20 5 EGBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000266282107 248221994 /nfs/dbraw/zinc/22/19/94/248221994.db2.gz AECNTIWZAYEQSK-CYBMUJFWSA-N 1 0 345.399 3.145 20 5 EGBDRO COc1ccc(COCC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000091741153 218057338 /nfs/dbraw/zinc/05/73/38/218057338.db2.gz PVRFYGFSEVQUBM-AWEZNQCLSA-N 1 0 330.384 3.471 20 5 EGBDRO CC(C)n1cnnc1[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000118861626 221199061 /nfs/dbraw/zinc/19/90/61/221199061.db2.gz XOPVGNKUBBNEJA-HNNXBMFYSA-N 1 0 329.404 3.147 20 5 EGBDRO CC[C@@H](NC(=O)C[C@@H](C)C1CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000236906764 141001010 /nfs/dbraw/zinc/00/10/10/141001010.db2.gz PZRMMSARZTWCGE-CXAGYDPISA-N 1 0 333.432 3.188 20 5 EGBDRO C[C@@H]([NH2+]CC(C)(C)N1C[C@@H](C)O[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000246927919 141044503 /nfs/dbraw/zinc/04/45/03/141044503.db2.gz GWWPHUHAEWKJLV-RBSFLKMASA-N 1 0 335.448 3.133 20 5 EGBDRO COc1cccc([C@H](C)[NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000341219384 141140290 /nfs/dbraw/zinc/14/02/90/141140290.db2.gz LFHFLGXQFHLILG-ZDUSSCGKSA-N 1 0 343.383 3.283 20 5 EGBDRO Cc1nn(C)c(N[C@@H](C[N@H+](C)Cc2ccccc2)C(C)C)c1[N+](=O)[O-] ZINC000346202073 141179710 /nfs/dbraw/zinc/17/97/10/141179710.db2.gz YAMBIQCOGKIYGH-INIZCTEOSA-N 1 0 345.447 3.205 20 5 EGBDRO CCCN(CC[NH+]1CCCC1)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000350814208 141268152 /nfs/dbraw/zinc/26/81/52/141268152.db2.gz SBYGJPGWYXDQFW-UHFFFAOYSA-N 1 0 334.420 3.243 20 5 EGBDRO CC1CCC([NH+]2CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)CC2)CC1 ZINC000359651463 141398889 /nfs/dbraw/zinc/39/88/89/141398889.db2.gz ZTEUUUPALJJQOI-UHFFFAOYSA-N 1 0 349.406 3.070 20 5 EGBDRO COC1CC[NH+](C2(CNCc3ccccc3[N+](=O)[O-])CCCC2)CC1 ZINC000341287326 142630348 /nfs/dbraw/zinc/63/03/48/142630348.db2.gz NBOPXXLXIASBDG-UHFFFAOYSA-N 1 0 347.459 3.108 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CC=C(c3ccc(O)cc3)CC2)c1 ZINC000178568673 144072595 /nfs/dbraw/zinc/07/25/95/144072595.db2.gz SSIDAMQLSCFCLC-IBGZPJMESA-N 1 0 340.379 3.123 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCCN1C[C@H](C)O[C@@H](C)C1 ZINC000344815494 144227326 /nfs/dbraw/zinc/22/73/26/144227326.db2.gz BPOFNLVTGWYNBA-DAPLNWGVSA-N 1 0 347.459 3.087 20 5 EGBDRO CC[NH+]1CCN(c2cccc(Nc3nc(C)ccc3[N+](=O)[O-])c2)CC1 ZINC000351547383 144277801 /nfs/dbraw/zinc/27/78/01/144277801.db2.gz ZKEBZJTYLYQXOK-UHFFFAOYSA-N 1 0 341.415 3.184 20 5 EGBDRO CC[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000341222615 155211989 /nfs/dbraw/zinc/21/19/89/155211989.db2.gz YEAHVHKWYDAYAH-AEFFLSMTSA-N 1 0 330.384 3.075 20 5 EGBDRO CC(C)N(CC(F)(F)F)C(=O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000341581860 155365578 /nfs/dbraw/zinc/36/55/78/155365578.db2.gz DTKKCGKSJGVIIG-LLVKDONJSA-N 1 0 347.337 3.045 20 5 EGBDRO O=[N+]([O-])c1cc(CNC[C@@H]2CC[N@H+](Cc3ccccc3)C2)cs1 ZINC000192924837 153266939 /nfs/dbraw/zinc/26/69/39/153266939.db2.gz KSVBLTLZAHZDRV-HNNXBMFYSA-N 1 0 331.441 3.268 20 5 EGBDRO COc1cc(C(=O)Nc2cccc(-n3ccnc3)c2)ccc1[N+](=O)[O-] ZINC000195294111 153392307 /nfs/dbraw/zinc/39/23/07/153392307.db2.gz FLSYKYSQMCRBLR-UHFFFAOYSA-N 1 0 338.323 3.041 20 5 EGBDRO C[C@H](Nc1ncccc1[N+](=O)[O-])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000336674218 154209419 /nfs/dbraw/zinc/20/94/19/154209419.db2.gz BVRXGFGYHZYDCB-HOCLYGCPSA-N 1 0 326.400 3.312 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)n1 ZINC000336703978 154210106 /nfs/dbraw/zinc/21/01/06/154210106.db2.gz LSAIKVXXTQFRIF-ZBFHGGJFSA-N 1 0 326.400 3.373 20 5 EGBDRO CCn1nc(C)c([N+](=O)[O-])c1N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000336787065 154211982 /nfs/dbraw/zinc/21/19/82/154211982.db2.gz DGIAGLZRZAQSAD-GDBMZVCRSA-N 1 0 343.431 3.195 20 5 EGBDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2OC(F)F)cc1[N+](=O)[O-] ZINC000337305065 154273197 /nfs/dbraw/zinc/27/31/97/154273197.db2.gz QZRZINHFZTZOJG-YPMHNXCESA-N 1 0 330.331 3.243 20 5 EGBDRO CCc1ccc(C(=O)NCCC[N@@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000348906284 156283585 /nfs/dbraw/zinc/28/35/85/156283585.db2.gz AHRZSMGSUJZRGD-CQSZACIVSA-N 1 0 333.432 3.152 20 5 EGBDRO [NH3+]CCN(Cc1ccc(OC(F)F)cc1)c1ccccc1[N+](=O)[O-] ZINC000348920443 156287949 /nfs/dbraw/zinc/28/79/49/156287949.db2.gz KBDBLRKWBIUYAG-UHFFFAOYSA-N 1 0 337.326 3.162 20 5 EGBDRO C[C@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H](C)[NH+]1C ZINC000354448979 156531067 /nfs/dbraw/zinc/53/10/67/156531067.db2.gz PSAOQSPOIVEMTR-KBPBESRZSA-N 1 0 329.400 3.379 20 5 EGBDRO COCC[N@H+](Cc1cc(OC)c(F)cc1[N+](=O)[O-])[C@H]1CC[C@H](C)C1 ZINC000362159237 157050848 /nfs/dbraw/zinc/05/08/48/157050848.db2.gz VCABRODOZMHAHP-JSGCOSHPSA-N 1 0 340.395 3.380 20 5 EGBDRO O=[N+]([O-])c1ccc(C[N@@H+](C[C@@H](O)Cc2ccccc2)C2CC2)cc1 ZINC000130492709 162369933 /nfs/dbraw/zinc/36/99/33/162369933.db2.gz XOTDQAHQQXGFMQ-IBGZPJMESA-N 1 0 326.396 3.163 20 5 EGBDRO CC(=O)NC1CCC([N@H+](C)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000344060690 164093935 /nfs/dbraw/zinc/09/39/35/164093935.db2.gz LZBMKGXRKYCCCJ-UHFFFAOYSA-N 1 0 339.823 3.127 20 5 EGBDRO COCC[C@H](Cc1ccco1)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000344313299 164153740 /nfs/dbraw/zinc/15/37/40/164153740.db2.gz YLKJPUDYZRSWIU-HQQUCIOCSA-N 1 0 330.384 3.438 20 5 EGBDRO C[C@H](C[NH+](C)C)NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000346156422 164351710 /nfs/dbraw/zinc/35/17/10/164351710.db2.gz JZXDTNOUXQXEPZ-CYBMUJFWSA-N 1 0 342.399 3.018 20 5 EGBDRO CC[N@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])[C@@H]1CCOC(C)(C)C1 ZINC000351948285 165162454 /nfs/dbraw/zinc/16/24/54/165162454.db2.gz CRERTDNGOFRXOS-CQSZACIVSA-N 1 0 349.431 3.121 20 5 EGBDRO CC[N@@H+]1CC[C@@H](N(C)Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000352012948 165192475 /nfs/dbraw/zinc/19/24/75/165192475.db2.gz HFOWTMXRYNWNLV-VXGBXAGGSA-N 1 0 327.375 3.178 20 5 EGBDRO O=[N+]([O-])c1cnn(CC[N@@H+](Cc2ccccc2Cl)CC2CC2)c1 ZINC000352246930 165306783 /nfs/dbraw/zinc/30/67/83/165306783.db2.gz ULUMMEXAQVOCRZ-UHFFFAOYSA-N 1 0 334.807 3.357 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000352319454 165341141 /nfs/dbraw/zinc/34/11/41/165341141.db2.gz IYDWHQVWRHACBN-QGZVFWFLSA-N 1 0 333.432 3.054 20 5 EGBDRO CC[N@H+](Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)[C@@H](C)C(C)C ZINC000355607526 166259280 /nfs/dbraw/zinc/25/92/80/166259280.db2.gz MTPMFHSCQNMYED-ZDUSSCGKSA-N 1 0 338.404 3.013 20 5 EGBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)C[N@H+](C)C(C)C ZINC000356765540 166504393 /nfs/dbraw/zinc/50/43/93/166504393.db2.gz KSNBOULZMGDWBP-GDBMZVCRSA-N 1 0 335.448 3.008 20 5 EGBDRO COc1ccc(C[NH+]2CCC(Cc3cccnc3)CC2)cc1[N+](=O)[O-] ZINC000357012143 166562065 /nfs/dbraw/zinc/56/20/65/166562065.db2.gz PYMVCUKLGYWVCM-UHFFFAOYSA-N 1 0 341.411 3.453 20 5 EGBDRO C[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000359136182 167078352 /nfs/dbraw/zinc/07/83/52/167078352.db2.gz GESQPHVCWBYPBV-JTQLQIEISA-N 1 0 342.321 3.283 20 5 EGBDRO C[C@H]([NH2+][C@H]1CC(=O)N(c2ccccc2F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000359394226 167145070 /nfs/dbraw/zinc/14/50/70/167145070.db2.gz KYZLYWGOLJZXMB-JSGCOSHPSA-N 1 0 343.358 3.190 20 5 EGBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H](CC(C)C)[NH+](CC)CC ZINC000359457545 167161736 /nfs/dbraw/zinc/16/17/36/167161736.db2.gz OJZNXHAYCQANBF-CQSZACIVSA-N 1 0 325.457 3.288 20 5 EGBDRO Cc1csc(N2CCC([NH2+]Cc3cccc([N+](=O)[O-])c3C)CC2)n1 ZINC000361459980 167607931 /nfs/dbraw/zinc/60/79/31/167607931.db2.gz OXUKLLUEYXKPQL-UHFFFAOYSA-N 1 0 346.456 3.427 20 5 EGBDRO CCC[C@@]1(CO)CC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000367361243 168214625 /nfs/dbraw/zinc/21/46/25/168214625.db2.gz ODLOGRBPWHQIQU-GOSISDBHSA-N 1 0 345.399 3.234 20 5 EGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000367463948 168229521 /nfs/dbraw/zinc/22/95/21/168229521.db2.gz PFDKJMUNHNUNGB-KBPBESRZSA-N 1 0 349.387 3.142 20 5 EGBDRO COCCC[NH+]1CCC(N[C@@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000159133347 225154764 /nfs/dbraw/zinc/15/47/64/225154764.db2.gz YAIZFXVZVQCZBR-HNNXBMFYSA-N 1 0 335.448 3.055 20 5 EGBDRO COC(C)(C)C[C@H](C)[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000121970089 221986024 /nfs/dbraw/zinc/98/60/24/221986024.db2.gz LQQVPBVDKVVFPS-STQMWFEESA-N 1 0 337.420 3.105 20 5 EGBDRO CCOCCC[N@@H+]1CC[C@H](N[C@@H](C)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000122324309 222062816 /nfs/dbraw/zinc/06/28/16/222062816.db2.gz VDFQQSFDRLIMFD-GJYPPUQNSA-N 1 0 349.475 3.382 20 5 EGBDRO Cc1ccc([C@H](C)NC(=O)NCCC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000175630445 265126100 /nfs/dbraw/zinc/12/61/00/265126100.db2.gz BNZKARXXHVGENU-HNNXBMFYSA-N 1 0 348.447 3.139 20 5 EGBDRO C[C@H]1[C@H](c2ccccc2)CC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000177547921 265262421 /nfs/dbraw/zinc/26/24/21/265262421.db2.gz WERVVXCYQDNOGO-GOEBONIOSA-N 1 0 339.395 3.411 20 5 EGBDRO Cc1c(CC(=O)N(CC[NH+](C)C)C2CCCCC2)cccc1[N+](=O)[O-] ZINC000178704642 265337085 /nfs/dbraw/zinc/33/70/85/265337085.db2.gz JZUIYSGLCUVFRV-UHFFFAOYSA-N 1 0 347.459 3.169 20 5 EGBDRO CC[NH+](CC)CCCCNC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000195235421 266167883 /nfs/dbraw/zinc/16/78/83/266167883.db2.gz PRMILZVYCLCTHC-UHFFFAOYSA-N 1 0 339.461 3.169 20 5 EGBDRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])s1)CC(C)C ZINC000195571293 266185965 /nfs/dbraw/zinc/18/59/65/266185965.db2.gz VOYQUYPUGHJGRW-GFCCVEGCSA-N 1 0 327.450 3.143 20 5 EGBDRO C[C@H]1CCCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)[C@@H]1C[NH3+] ZINC000237713776 266241850 /nfs/dbraw/zinc/24/18/50/266241850.db2.gz USEFNGQRGZVYRV-BLLLJJGKSA-N 1 0 333.432 3.092 20 5 EGBDRO Cc1cccnc1[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000269621964 266328506 /nfs/dbraw/zinc/32/85/06/266328506.db2.gz BKCBVEMOAMXCQZ-SJORKVTESA-N 1 0 329.400 3.319 20 5 EGBDRO C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000269741434 266351864 /nfs/dbraw/zinc/35/18/64/266351864.db2.gz XCYBKFXIDGCKPK-GUYCJALGSA-N 1 0 331.416 3.179 20 5 EGBDRO Cc1cc(NCc2nnc(C(C)C)n2C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000273307073 267016734 /nfs/dbraw/zinc/01/67/34/267016734.db2.gz MSSOUSWSRXOPBP-UHFFFAOYSA-N 1 0 340.387 3.315 20 5 EGBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000273522485 267053053 /nfs/dbraw/zinc/05/30/53/267053053.db2.gz YWTWCSWYRVERLD-UONOGXRCSA-N 1 0 348.447 3.028 20 5 EGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCN(c2cccc(O)c2)CC1 ZINC000274963324 267311638 /nfs/dbraw/zinc/31/16/38/267311638.db2.gz AJPIDUPDZKXMEF-AWEZNQCLSA-N 1 0 327.384 3.184 20 5 EGBDRO CO[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000275209710 267330618 /nfs/dbraw/zinc/33/06/18/267330618.db2.gz JMQCTPXTBGKAPF-BYCMXARLSA-N 1 0 346.387 3.253 20 5 EGBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1NCC1CC[NH+](C2CC2)CC1 ZINC000277851922 267883849 /nfs/dbraw/zinc/88/38/49/267883849.db2.gz KHLSPDQXADFUJO-UHFFFAOYSA-N 1 0 344.337 3.295 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1COC3(CCCC3)O1)CCC2 ZINC000278377177 268000046 /nfs/dbraw/zinc/00/00/46/268000046.db2.gz CQLNEOSFTNOOCR-NVXWUHKLSA-N 1 0 332.400 3.248 20 5 EGBDRO C[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CCN1C(=O)OC(C)(C)C ZINC000278544187 268036095 /nfs/dbraw/zinc/03/60/95/268036095.db2.gz XUWUGWMERAYFLR-DZGCQCFKSA-N 1 0 349.431 3.472 20 5 EGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCCN1CCCO[C@@H](C)C1 ZINC000278564544 268040746 /nfs/dbraw/zinc/04/07/46/268040746.db2.gz PGQODKDXQBJHDC-IRXDYDNUSA-N 1 0 349.475 3.006 20 5 EGBDRO C[NH+](C)CC1CCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000042390181 275126312 /nfs/dbraw/zinc/12/63/12/275126312.db2.gz DLHTYSVREXZPEK-UHFFFAOYSA-N 1 0 342.237 3.135 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000162875588 275196734 /nfs/dbraw/zinc/19/67/34/275196734.db2.gz GSILXJWBCPULFO-AWEZNQCLSA-N 1 0 334.420 3.145 20 5 EGBDRO CC[C@@H](C)NC(=O)CC[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279163743 275308992 /nfs/dbraw/zinc/30/89/92/275308992.db2.gz UGWCDUDHJWOWEL-MLGOLLRUSA-N 1 0 333.432 3.212 20 5 EGBDRO CC1(C)C[C@H]([NH2+]CCCNC(=O)C2CCC2)c2cc([N+](=O)[O-])ccc21 ZINC000279196386 275311687 /nfs/dbraw/zinc/31/16/87/275311687.db2.gz WYVVIRLFBCRPST-KRWDZBQOSA-N 1 0 345.443 3.213 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000279464120 275333020 /nfs/dbraw/zinc/33/30/20/275333020.db2.gz JIRKAJXPJYDCEB-FVQBIDKESA-N 1 0 336.819 3.338 20 5 EGBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000281078372 275520096 /nfs/dbraw/zinc/52/00/96/275520096.db2.gz JBPGDBUHTUMVKW-NEPJUHHUSA-N 1 0 341.358 3.337 20 5 EGBDRO O=[N+]([O-])c1ccc2oc(C[NH2+][C@@H]3CCCC34CCOCC4)nc2c1 ZINC000282219098 275612384 /nfs/dbraw/zinc/61/23/84/275612384.db2.gz YNDMOYWFGOVEDX-OAHLLOKOSA-N 1 0 331.372 3.175 20 5 EGBDRO CSc1ccc(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000285921660 275927602 /nfs/dbraw/zinc/92/76/02/275927602.db2.gz SYOQLVHKJZNLEV-JSGCOSHPSA-N 1 0 349.456 3.016 20 5 EGBDRO C[C@H](C[S@](C)=O)N(C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000289304076 276318910 /nfs/dbraw/zinc/31/89/10/276318910.db2.gz BVAREYOEINDVNL-SQFXPLBJSA-N 1 0 339.244 3.100 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC[C@H](O)c1ccccc1 ZINC000289434953 276338837 /nfs/dbraw/zinc/33/88/37/276338837.db2.gz LFUAYUVMJHMRJG-KRWDZBQOSA-N 1 0 330.384 3.207 20 5 EGBDRO COc1ncccc1CC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000289593462 276363254 /nfs/dbraw/zinc/36/32/54/276363254.db2.gz BCXLHHKCYXPBCZ-QGZVFWFLSA-N 1 0 341.411 3.152 20 5 EGBDRO CCOc1ccc([C@@H](C)[NH2+]CCc2nnc(C)s2)cc1[N+](=O)[O-] ZINC000289721365 276383131 /nfs/dbraw/zinc/38/31/31/276383131.db2.gz JRMNSNVTSGDZEC-SNVBAGLBSA-N 1 0 336.417 3.047 20 5 EGBDRO Cc1ccc(C[NH2+]C[C@@]2(CO)C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000289773661 276391857 /nfs/dbraw/zinc/39/18/57/276391857.db2.gz IYQVLHUYYWDFHV-PKOBYXMFSA-N 1 0 326.396 3.159 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC([NH+]2CC=CC2)CC1 ZINC000289778371 276392495 /nfs/dbraw/zinc/39/24/95/276392495.db2.gz LUYQVVQXKZVLGK-UHFFFAOYSA-N 1 0 344.415 3.025 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CCC[NH+]1CCCC1 ZINC000289789043 276394913 /nfs/dbraw/zinc/39/49/13/276394913.db2.gz MNAJOBXVBQDASF-UHFFFAOYSA-N 1 0 334.420 3.107 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]([NH+](CC)CC)C1 ZINC000289812461 276399171 /nfs/dbraw/zinc/39/91/71/276399171.db2.gz NZWOTFQCOSBLNV-OAHLLOKOSA-N 1 0 334.420 3.105 20 5 EGBDRO CC[C@H]([NH2+][C@@H]1COc2ccccc2[C@@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000289855343 276406768 /nfs/dbraw/zinc/40/67/68/276406768.db2.gz BKKLHOGMXQFRQB-JZXOWHBKSA-N 1 0 328.368 3.130 20 5 EGBDRO CC(C)(C)c1ccc(C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1[N+](=O)[O-] ZINC000374632221 277266661 /nfs/dbraw/zinc/26/66/61/277266661.db2.gz QIWHHHNTRFLFEZ-LZWOXQAQSA-N 1 0 345.443 3.092 20 5 EGBDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342887453 279100827 /nfs/dbraw/zinc/10/08/27/279100827.db2.gz RWJGRMXLDULNNZ-CYBMUJFWSA-N 1 0 346.431 3.316 20 5 EGBDRO C[C@H]1[C@@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CCC[N@@H+]1C ZINC000343425499 280105518 /nfs/dbraw/zinc/10/55/18/280105518.db2.gz DIXASZFRUZUPIZ-GWCFXTLKSA-N 1 0 333.413 3.022 20 5 EGBDRO C[C@H](C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)[NH+]1[C@H](C)CC[C@H]1C ZINC000413594268 309038782 /nfs/dbraw/zinc/03/87/82/309038782.db2.gz XJSHBZAGLNNTHK-MGPQQGTHSA-N 1 0 333.432 3.207 20 5 EGBDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000059982290 307350622 /nfs/dbraw/zinc/35/06/22/307350622.db2.gz WCPFSBUSTKQUSO-ZIAGYGMSSA-N 1 0 333.432 3.081 20 5 EGBDRO C[C@@H](C(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])[NH+]1[C@H](C)CC[C@H]1C ZINC000413823412 309049074 /nfs/dbraw/zinc/04/90/74/309049074.db2.gz AANKHHICSADQPF-MCIONIFRSA-N 1 0 333.432 3.207 20 5 EGBDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])c1cnn(C)c1 ZINC000130315647 307626736 /nfs/dbraw/zinc/62/67/36/307626736.db2.gz KVMKILSHRFDREX-JJRVBVJISA-N 1 0 328.416 3.390 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H](O)COc1ccc(F)cc1 ZINC000152559528 307755249 /nfs/dbraw/zinc/75/52/49/307755249.db2.gz MKKMIRHUNRNOQM-CZUORRHYSA-N 1 0 348.374 3.133 20 5 EGBDRO CO[C@@H]([C@H](C)[NH2+][C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CC1 ZINC000414194443 309066027 /nfs/dbraw/zinc/06/60/27/309066027.db2.gz VLRMMCRMXLFDEH-RWSFTLGLSA-N 1 0 346.387 3.109 20 5 EGBDRO C[C@@H]([NH2+]C[C@H]1CNC(=O)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000414205014 309066727 /nfs/dbraw/zinc/06/67/27/309066727.db2.gz WYRIMUCKUGNKQN-NEPJUHHUSA-N 1 0 345.424 3.110 20 5 EGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](CO)c1ccc(F)cc1 ZINC000414282928 309070361 /nfs/dbraw/zinc/07/03/61/309070361.db2.gz DRPMXXDRPWNVDC-PBHICJAKSA-N 1 0 346.402 3.421 20 5 EGBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000248388243 308001614 /nfs/dbraw/zinc/00/16/14/308001614.db2.gz DHUCDIKRIJDNGC-JFIYKMOQSA-N 1 0 347.459 3.153 20 5 EGBDRO C[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248556164 308005614 /nfs/dbraw/zinc/00/56/14/308005614.db2.gz IDIQTUJGERLHQZ-YQQAZPJKSA-N 1 0 344.411 3.116 20 5 EGBDRO CCC[C@@H](C)C(=O)NCC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000293032467 308092056 /nfs/dbraw/zinc/09/20/56/308092056.db2.gz AEFAGXXDQFWZDK-CXAGYDPISA-N 1 0 333.432 3.114 20 5 EGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1snnc1C ZINC000293315635 308119578 /nfs/dbraw/zinc/11/95/78/308119578.db2.gz FIJRKWNBCGYFLO-LLVKDONJSA-N 1 0 338.458 3.415 20 5 EGBDRO Cn1ccnc1[C@H]([NH2+]CC1CC(F)(F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000293893476 308171796 /nfs/dbraw/zinc/17/17/96/308171796.db2.gz ZGCMQVZMWDOCBP-CQSZACIVSA-N 1 0 336.342 3.053 20 5 EGBDRO C[C@@H]([NH2+][C@H](CN(C)C)c1ccc(F)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294383993 308216217 /nfs/dbraw/zinc/21/62/17/308216217.db2.gz RNDYPNRUBHFAHH-SJKOYZFVSA-N 1 0 346.406 3.270 20 5 EGBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNCc1nnc(C2CC2)[nH]1 ZINC000294811917 308259862 /nfs/dbraw/zinc/25/98/62/308259862.db2.gz NYPUMASIJNZSGC-UHFFFAOYSA-N 1 0 342.186 3.187 20 5 EGBDRO Cc1ccccc1[C@H]([NH3+])C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000295146027 308296413 /nfs/dbraw/zinc/29/64/13/308296413.db2.gz JEPKJSBTZTWCPT-SFHVURJKSA-N 1 0 341.411 3.042 20 5 EGBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000295332916 308315497 /nfs/dbraw/zinc/31/54/97/308315497.db2.gz UEOCWQJHMFSNOZ-LLVKDONJSA-N 1 0 327.812 3.017 20 5 EGBDRO C[C@H]1[C@H](CO)CCC[N@@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000414589467 309091046 /nfs/dbraw/zinc/09/10/46/309091046.db2.gz WWNZZLLCXIDUTN-ZFWWWQNUSA-N 1 0 330.384 3.448 20 5 EGBDRO C[NH2+]CCN(C)Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000414663902 309094287 /nfs/dbraw/zinc/09/42/87/309094287.db2.gz SHSFTXWTNKXKAI-UHFFFAOYSA-N 1 0 333.363 3.177 20 5 EGBDRO CC(C)(C)[NH+]1CCC(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000298916495 308648716 /nfs/dbraw/zinc/64/87/16/308648716.db2.gz AYHWWADYPPZJSH-UHFFFAOYSA-N 1 0 344.415 3.069 20 5 EGBDRO O=[N+]([O-])c1ccc(Br)cc1N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000301690895 308711024 /nfs/dbraw/zinc/71/10/24/308711024.db2.gz WKLJWZZKXIJQRC-GFCCVEGCSA-N 1 0 340.221 3.032 20 5 EGBDRO C[C@@H](c1ccccc1)[NH+]1CCC(Nc2ncc([N+](=O)[O-])cn2)CC1 ZINC000302176401 308732082 /nfs/dbraw/zinc/73/20/82/308732082.db2.gz XEXZBHZTBLYQNB-ZDUSSCGKSA-N 1 0 327.388 3.022 20 5 EGBDRO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000411461818 308940108 /nfs/dbraw/zinc/94/01/08/308940108.db2.gz UBXQOJHOXSHJGW-KGLIPLIRSA-N 1 0 327.384 3.297 20 5 EGBDRO CC[C@@H]1CCCC[C@H]1[NH2+]CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000411546066 308943605 /nfs/dbraw/zinc/94/36/05/308943605.db2.gz ACGAWQZMDFRQPR-UKRRQHHQSA-N 1 0 349.431 3.490 20 5 EGBDRO CO[C@](C)([C@H](C)[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C1CC1 ZINC000411968492 308959900 /nfs/dbraw/zinc/95/99/00/308959900.db2.gz JUXBQBIUHNLMGC-SCLBCKFNSA-N 1 0 349.431 3.025 20 5 EGBDRO C[C@H](C[NH+]1CCCCCC1)NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412259710 308977807 /nfs/dbraw/zinc/97/78/07/308977807.db2.gz LVGPCDMALBOLIX-FHLIZLRMSA-N 1 0 345.443 3.079 20 5 EGBDRO O=[N+]([O-])c1ccc2ccnc(N3CCC[C@H]([NH+]4CCCC4)C3)c2c1 ZINC000413069190 309014402 /nfs/dbraw/zinc/01/44/02/309014402.db2.gz YPOSCMLQQJLWDE-INIZCTEOSA-N 1 0 326.400 3.208 20 5 EGBDRO C[C@@H](C[NH+]1CCCCC1)Nc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413105057 309016376 /nfs/dbraw/zinc/01/63/76/309016376.db2.gz XWMLHBOOGNGOCZ-JTQLQIEISA-N 1 0 332.326 3.295 20 5 EGBDRO CC(C)C[N@@H+]1CC[C@@H](CNc2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000413183223 309020020 /nfs/dbraw/zinc/02/00/20/309020020.db2.gz HXQBZXLCLSHCBS-NSHDSACASA-N 1 0 346.353 3.398 20 5 EGBDRO CCC[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000413215701 309022027 /nfs/dbraw/zinc/02/20/27/309022027.db2.gz PIZUJVFULRTHBQ-ZWKOTPCHSA-N 1 0 345.443 3.031 20 5 EGBDRO O=[N+]([O-])c1cnc(NCC23CCC[NH+]2CCC3)c(C(F)(F)F)c1 ZINC000413259196 309024025 /nfs/dbraw/zinc/02/40/25/309024025.db2.gz CYADGDCKNZUVPJ-UHFFFAOYSA-N 1 0 330.310 3.049 20 5 EGBDRO C[N@H+](CCCCNc1ccc([N+](=O)[O-])cc1OC(F)F)C1CC1 ZINC000413343640 309027835 /nfs/dbraw/zinc/02/78/35/309027835.db2.gz BKLKPNREQILGBH-UHFFFAOYSA-N 1 0 329.347 3.483 20 5 EGBDRO C[N@H+](CCCCNc1ncc([N+](=O)[O-])cc1Br)C1CC1 ZINC000413349907 309028081 /nfs/dbraw/zinc/02/80/81/309028081.db2.gz UTZXSDUFPAVBMF-UHFFFAOYSA-N 1 0 343.225 3.039 20 5 EGBDRO CCc1ccccc1[C@H]([NH3+])CNC(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000415419854 309133094 /nfs/dbraw/zinc/13/30/94/309133094.db2.gz RMVNEAMZEVLCRC-MRXNPFEDSA-N 1 0 342.399 3.287 20 5 EGBDRO CC(C)(C)c1ccc(NC(=O)NCC[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000415701402 309141392 /nfs/dbraw/zinc/14/13/92/309141392.db2.gz OHPLDLYBYQTGHU-ZDUSSCGKSA-N 1 0 348.447 3.404 20 5 EGBDRO C[C@@H](NC(=O)NCC[NH2+]C1CCCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000417136721 309194528 /nfs/dbraw/zinc/19/45/28/309194528.db2.gz LIPFVGYOMUNHDJ-CQSZACIVSA-N 1 0 348.447 3.267 20 5 EGBDRO NC(=O)c1ccc(C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000417306599 309201061 /nfs/dbraw/zinc/20/10/61/309201061.db2.gz CRBLTQTZTMOGHY-SFHVURJKSA-N 1 0 339.395 3.251 20 5 EGBDRO COCC1(C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CCOCC1 ZINC000417324549 309201662 /nfs/dbraw/zinc/20/16/62/309201662.db2.gz AJWGXMBUXJOIEC-SFHVURJKSA-N 1 0 348.443 3.395 20 5 EGBDRO CC[C@H]([NH2+]CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@H]1CC1(C)C ZINC000419309182 309264200 /nfs/dbraw/zinc/26/42/00/309264200.db2.gz BQYBICPZUQNBFJ-KGLIPLIRSA-N 1 0 349.431 3.346 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCSC[C@H]1C1CCC1 ZINC000419369692 309265565 /nfs/dbraw/zinc/26/55/65/309265565.db2.gz FRNCGZLTWDDSPV-HNNXBMFYSA-N 1 0 349.456 3.059 20 5 EGBDRO [NH3+]CCCOC1CCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000420201096 309277156 /nfs/dbraw/zinc/27/71/56/309277156.db2.gz HFYMNNYBBIUCPG-UHFFFAOYSA-N 1 0 348.230 3.236 20 5 EGBDRO Cc1ccc(NC(=O)c2ccc(NCCCC[NH3+])c([N+](=O)[O-])c2)cc1 ZINC000420232881 309277718 /nfs/dbraw/zinc/27/77/18/309277718.db2.gz MEZVMVHUFOQFNQ-UHFFFAOYSA-N 1 0 342.399 3.306 20 5 EGBDRO [NH3+][C@H]1CCC[C@H](CNc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000420293491 309279664 /nfs/dbraw/zinc/27/96/64/309279664.db2.gz YATMRMGQTLMWSZ-UWVGGRQHSA-N 1 0 328.210 3.287 20 5 EGBDRO [NH3+][C@@H]1CCC[C@@H](CNc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C1 ZINC000420291725 309279707 /nfs/dbraw/zinc/27/97/07/309279707.db2.gz VZVLFHYDIDMYKU-UKRRQHHQSA-N 1 0 326.400 3.008 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](C2CCCC2)C1 ZINC000420957549 309304463 /nfs/dbraw/zinc/30/44/63/309304463.db2.gz AQKJCEBXGSMWPQ-CQSZACIVSA-N 1 0 347.415 3.054 20 5 EGBDRO C[C@@H]1C[C@@H](CO)C[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000421364383 309320492 /nfs/dbraw/zinc/32/04/92/309320492.db2.gz RVHVCYXVEFNNCX-CHWSQXEVSA-N 1 0 347.440 3.169 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000421498989 309327197 /nfs/dbraw/zinc/32/71/97/309327197.db2.gz UJURSXFOMFXNJL-INIZCTEOSA-N 1 0 345.443 3.016 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000421782933 309339948 /nfs/dbraw/zinc/33/99/48/309339948.db2.gz FDVWDSLDLXXNBH-INIZCTEOSA-N 1 0 347.459 3.309 20 5 EGBDRO Cc1ccc([C@@H](C)NC(=O)c2ccc([C@H](C)[NH3+])cc2)cc1[N+](=O)[O-] ZINC000423284256 309393987 /nfs/dbraw/zinc/39/39/87/309393987.db2.gz WVFCNGHVDUXYHZ-QWHCGFSZSA-N 1 0 327.384 3.414 20 5 EGBDRO CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000430816408 309618368 /nfs/dbraw/zinc/61/83/68/309618368.db2.gz MDMUWJYEFSQPGE-NVXWUHKLSA-N 1 0 333.432 3.225 20 5 EGBDRO C[C@H](C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)CC1CCOCC1 ZINC000446848126 309969567 /nfs/dbraw/zinc/96/95/67/309969567.db2.gz FGQAVSFNGYRGJT-LBPRGKRZSA-N 1 0 332.404 3.014 20 5 EGBDRO COCC[C@@]1([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCOC1 ZINC000447071568 309973347 /nfs/dbraw/zinc/97/33/47/309973347.db2.gz AATNRMSCXCVDRV-GOSISDBHSA-N 1 0 346.383 3.140 20 5 EGBDRO Cc1cccc(CC[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000447538307 309981249 /nfs/dbraw/zinc/98/12/49/309981249.db2.gz BMYZWPCQNPYHSR-IRXDYDNUSA-N 1 0 328.416 3.416 20 5 EGBDRO C[NH2+][C@@H](CC(C)(C)C)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000449129021 310039055 /nfs/dbraw/zinc/03/90/55/310039055.db2.gz AXOISOGZCPLDOU-INIZCTEOSA-N 1 0 335.448 3.058 20 5 EGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](CCO)c1ccccc1 ZINC000449155286 310040942 /nfs/dbraw/zinc/04/09/42/310040942.db2.gz AUUYTCFWFFGOOH-MAUKXSAKSA-N 1 0 328.412 3.282 20 5 EGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCOc1ncccc1Cl ZINC000449181398 310042631 /nfs/dbraw/zinc/04/26/31/310042631.db2.gz HCXGMYXZTAAANK-LBPRGKRZSA-N 1 0 335.791 3.243 20 5 EGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](O)CCc1ccccc1 ZINC000449238372 310046699 /nfs/dbraw/zinc/04/66/99/310046699.db2.gz GDAHUDMSSQNNCU-CRAIPNDOSA-N 1 0 328.412 3.109 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](O)Cc1cccc(F)c1 ZINC000449362872 310056631 /nfs/dbraw/zinc/05/66/31/310056631.db2.gz NXURTPIKJJWALF-HTJTXACHSA-N 1 0 344.386 3.330 20 5 EGBDRO COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449415383 310059930 /nfs/dbraw/zinc/05/99/30/310059930.db2.gz OBOFYOFNTZXLOQ-IMJJTQAJSA-N 1 0 334.416 3.237 20 5 EGBDRO C[C@@H](Cc1cnn(C)c1)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000449582316 310073698 /nfs/dbraw/zinc/07/36/98/310073698.db2.gz FQMVMFKXYHLJHJ-ZDUSSCGKSA-N 1 0 340.383 3.309 20 5 EGBDRO CC(C)(C)c1ccc(C(=O)NCCC[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000449680476 310080539 /nfs/dbraw/zinc/08/05/39/310080539.db2.gz BSHZJGHGSODDEK-CQSZACIVSA-N 1 0 333.432 3.154 20 5 EGBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1nccc2c1cccc2[N+](=O)[O-] ZINC000450522940 310128052 /nfs/dbraw/zinc/12/80/52/310128052.db2.gz BNYLMFONTKSBIX-KGLIPLIRSA-N 1 0 326.400 3.206 20 5 EGBDRO C[C@@H](C(=O)N1CCCCC1)[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451547146 310185128 /nfs/dbraw/zinc/18/51/28/310185128.db2.gz KIKYXZGRPSISAN-RDJZCZTQSA-N 1 0 345.443 3.175 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](CCOCC(F)(F)F)C2)cc1 ZINC000451553701 310185945 /nfs/dbraw/zinc/18/59/45/310185945.db2.gz YRBXMJITLOXYNF-ZDUSSCGKSA-N 1 0 332.322 3.353 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]([C@@H](CO)C1CC1)C1CC1 ZINC000451607617 310189019 /nfs/dbraw/zinc/18/90/19/310189019.db2.gz MZZCOWQLNZLUMG-PKOBYXMFSA-N 1 0 348.443 3.269 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000451627475 310189982 /nfs/dbraw/zinc/18/99/82/310189982.db2.gz MRRRZXJGVJQHJJ-SJORKVTESA-N 1 0 346.427 3.385 20 5 EGBDRO COc1ccc2c(c1)C[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])CO2 ZINC000453166512 310261885 /nfs/dbraw/zinc/26/18/85/310261885.db2.gz QRVGYIAZWFZBIP-GXTWGEPZSA-N 1 0 328.368 3.258 20 5 EGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000453295244 310269628 /nfs/dbraw/zinc/26/96/28/310269628.db2.gz XUUJPLVKSZVAOW-GJZGRUSLSA-N 1 0 347.459 3.139 20 5 EGBDRO C[C@H](Cc1cnn(C)c1)[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000453364746 310273007 /nfs/dbraw/zinc/27/30/07/310273007.db2.gz VNZGWUOQXOXREL-UWWQBHOKSA-N 1 0 342.443 3.260 20 5 EGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCc1cnc(C)cn1 ZINC000453403478 310275097 /nfs/dbraw/zinc/27/50/97/310275097.db2.gz OLSPEVDXOMLASF-CQSZACIVSA-N 1 0 346.456 3.396 20 5 EGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCC2CC(F)(F)C2)n1 ZINC000453427248 310276567 /nfs/dbraw/zinc/27/65/67/310276567.db2.gz PDLZLMSQVQTHPZ-QWHCGFSZSA-N 1 0 328.363 3.300 20 5 EGBDRO Cc1ccc(C[C@@H](CO)[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])cc1C ZINC000453431726 310277000 /nfs/dbraw/zinc/27/70/00/310277000.db2.gz JHJXTWBCUSAPEM-APWZRJJASA-N 1 0 342.439 3.336 20 5 EGBDRO Cc1ccc(CC[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)nc1 ZINC000453443114 310277337 /nfs/dbraw/zinc/27/73/37/310277337.db2.gz YIKZONLBWSCFSH-GOSISDBHSA-N 1 0 325.412 3.452 20 5 EGBDRO Cc1ccc(C[C@@H](CO)[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])cc1C ZINC000453627697 310285486 /nfs/dbraw/zinc/28/54/86/310285486.db2.gz MKZVTJQGHUBEQE-XZXOBPBMSA-N 1 0 340.423 3.418 20 5 EGBDRO Cc1cc(C(=O)N(CC[NH+](C)C)Cc2ccsc2)cc([N+](=O)[O-])c1 ZINC000458204410 310491444 /nfs/dbraw/zinc/49/14/44/310491444.db2.gz QDRHSTWVKYDZFQ-UHFFFAOYSA-N 1 0 347.440 3.169 20 5 EGBDRO C[C@@H]1CCCC[C@]1(C)[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000459610012 310564270 /nfs/dbraw/zinc/56/42/70/310564270.db2.gz KGHGOCGDPZWGAU-ACJLOTCBSA-N 1 0 331.416 3.042 20 5 EGBDRO CCc1ccc(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)cc1[N+](=O)[O-] ZINC000471909332 310752844 /nfs/dbraw/zinc/75/28/44/310752844.db2.gz HVCMTDXZKGYORJ-INIZCTEOSA-N 1 0 335.448 3.253 20 5 EGBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCc2ccccc2F)n1 ZINC000472614872 310768234 /nfs/dbraw/zinc/76/82/34/310768234.db2.gz WKTMYBUJLHJXEB-CVEARBPZSA-N 1 0 332.379 3.246 20 5 EGBDRO CCN1C[C@H](C)[C@H]([NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000487208190 311016030 /nfs/dbraw/zinc/01/60/30/311016030.db2.gz HCVBLOAVAVZZTD-IINYFYTJSA-N 1 0 331.338 3.043 20 5 EGBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(c2ccc3ncccc3c2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488723985 311076638 /nfs/dbraw/zinc/07/66/38/311076638.db2.gz BIZJIXBVBIYWPD-HBUWYVDXSA-N 1 0 340.427 3.310 20 5 EGBDRO C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CCN(CCC(F)(F)F)CC1 ZINC000489078266 311091893 /nfs/dbraw/zinc/09/18/93/311091893.db2.gz QKMIGAIOAMEMJU-UHFFFAOYSA-N 1 0 345.365 3.443 20 5 EGBDRO CCC[NH+]1CCC(N(C)C(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000491320030 311173499 /nfs/dbraw/zinc/17/34/99/311173499.db2.gz LRPVDDOSFVCQKT-ALCCZGGFSA-N 1 0 349.406 3.080 20 5 EGBDRO COCC1(C[NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000491593298 311186131 /nfs/dbraw/zinc/18/61/31/311186131.db2.gz FABKDIUMUAFRQZ-XNTDXEJSSA-N 1 0 334.416 3.031 20 5 EGBDRO CCOc1cc(C[N@H+](CCCO)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000492652212 311276766 /nfs/dbraw/zinc/27/67/66/311276766.db2.gz LBOZYTJFHRUQGL-UHFFFAOYSA-N 1 0 344.411 3.378 20 5 EGBDRO CCOc1cc(C[NH2+][C@](C)(CO)C2CCCCC2)ccc1[N+](=O)[O-] ZINC000492654036 311277095 /nfs/dbraw/zinc/27/70/95/311277095.db2.gz NLDKVFOOIAAKKF-GOSISDBHSA-N 1 0 336.432 3.414 20 5 EGBDRO CCOc1cc(C[NH2+][C@@](C)(CO)C2CCCCC2)ccc1[N+](=O)[O-] ZINC000492654037 311277121 /nfs/dbraw/zinc/27/71/21/311277121.db2.gz NLDKVFOOIAAKKF-SFHVURJKSA-N 1 0 336.432 3.414 20 5 EGBDRO C[C@H](C[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1)NC(=O)OC(C)(C)C ZINC000495752593 311605997 /nfs/dbraw/zinc/60/59/97/311605997.db2.gz JBAPEJYLBWVCFE-QWHCGFSZSA-N 1 0 337.420 3.376 20 5 EGBDRO COC(=O)N1CCC(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000495755435 311606636 /nfs/dbraw/zinc/60/66/36/311606636.db2.gz VPUILTVELFGGIF-ZDUSSCGKSA-N 1 0 335.404 3.032 20 5 EGBDRO CC(C)(C)OC(=O)NCCC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000496622928 311740154 /nfs/dbraw/zinc/74/01/54/311740154.db2.gz IFEVESKZRQZLBJ-CQSZACIVSA-N 1 0 335.404 3.087 20 5 EGBDRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(C)c([N+](=O)[O-])c1)CC(C)C ZINC000498039285 311873835 /nfs/dbraw/zinc/87/38/35/311873835.db2.gz PHOWNFGXTVQAGL-MRXNPFEDSA-N 1 0 335.448 3.390 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C/CN1CC[NH+](Cc2cccs2)CC1 ZINC000506036168 312040936 /nfs/dbraw/zinc/04/09/36/312040936.db2.gz XCXUTKPOIPOCBS-ZZXKWVIFSA-N 1 0 343.452 3.487 20 5 EGBDRO CC[C@H]1CN(Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)CCO1 ZINC000506340261 312047572 /nfs/dbraw/zinc/04/75/72/312047572.db2.gz HFWRCYBCISDCFW-ZDUSSCGKSA-N 1 0 346.383 3.474 20 5 EGBDRO COCC[N@H+](Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1)C1CC1 ZINC000507158380 312061241 /nfs/dbraw/zinc/06/12/41/312061241.db2.gz DJHXRKSVAHDPDP-UHFFFAOYSA-N 1 0 346.383 3.474 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1ccc(CN2CC[NH+](CC3CC3)CC2)o1 ZINC000509392288 312115445 /nfs/dbraw/zinc/11/54/45/312115445.db2.gz ICPXPRRGDYEQHZ-UHFFFAOYSA-N 1 0 341.411 3.382 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1CNCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000509619458 312121501 /nfs/dbraw/zinc/12/15/01/312121501.db2.gz PCOSSSQCEHUAGN-IYBDPMFKSA-N 1 0 349.475 3.451 20 5 EGBDRO CCOc1ccc([C@@H](C)[NH2+]CC2CC[NH+](CC)CC2)cc1[N+](=O)[O-] ZINC000515189341 312270293 /nfs/dbraw/zinc/27/02/93/312270293.db2.gz QLVBCYPOEGYHRH-CQSZACIVSA-N 1 0 335.448 3.376 20 5 EGBDRO COCCOc1ccc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000520428370 312505613 /nfs/dbraw/zinc/50/56/13/312505613.db2.gz RWXQLEJJVRALLW-GOSISDBHSA-N 1 0 342.395 3.397 20 5 EGBDRO CC(C)[C@H](Cn1cccn1)[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000522018862 312571326 /nfs/dbraw/zinc/57/13/26/312571326.db2.gz IJVXLKLNXMZDBS-SFHVURJKSA-N 1 0 330.432 3.428 20 5 EGBDRO C[NH+](C)CC[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)C(C)(C)C ZINC000522476679 312591089 /nfs/dbraw/zinc/59/10/89/312591089.db2.gz PSSWPZBHLJPANL-INIZCTEOSA-N 1 0 347.415 3.437 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(N2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000525193845 312703461 /nfs/dbraw/zinc/70/34/61/312703461.db2.gz HUBATSSLWXOLIB-UHFFFAOYSA-N 1 0 341.411 3.234 20 5 EGBDRO C[NH+](C)[C@@H](CNC(=O)c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000530831205 313591176 /nfs/dbraw/zinc/59/11/76/313591176.db2.gz XHYIKCVQKBSKHR-INIZCTEOSA-N 1 0 347.802 3.281 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCN1C[C@H](C)O[C@@H](C)C1 ZINC000532198479 313767849 /nfs/dbraw/zinc/76/78/49/313767849.db2.gz BLGQPBMDCMWURF-JYJNAYRXSA-N 1 0 335.448 3.053 20 5 EGBDRO C/C(=C/c1ccccc1)C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000536638020 314133256 /nfs/dbraw/zinc/13/32/56/314133256.db2.gz MKYQREPTXAYPCU-SSZFMOIBSA-N 1 0 338.411 3.215 20 5 EGBDRO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)COC2 ZINC000536856841 314150828 /nfs/dbraw/zinc/15/08/28/314150828.db2.gz GHXOCTLBSMDUJX-ZDUSSCGKSA-N 1 0 328.368 3.355 20 5 EGBDRO COc1ccc([C@H](C)[NH2+]CC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000537028235 314157589 /nfs/dbraw/zinc/15/75/89/314157589.db2.gz ORDLRDMZTXYNMQ-ZDUSSCGKSA-N 1 0 343.383 3.201 20 5 EGBDRO CC(C)(O)C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000539424764 314313709 /nfs/dbraw/zinc/31/37/09/314313709.db2.gz OEWGFHYFHMISKE-UHFFFAOYSA-N 1 0 344.411 3.247 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@H](CO)CC(F)(F)F ZINC000540150649 314366293 /nfs/dbraw/zinc/36/62/93/314366293.db2.gz JCYROUAXCZAMEE-UBHSHLNASA-N 1 0 346.349 3.209 20 5 EGBDRO CC[C@@H](CSC)[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000091097410 454383133 /nfs/dbraw/zinc/38/31/33/454383133.db2.gz VUFJCSFLHMGAME-ZDUSSCGKSA-N 1 0 339.461 3.305 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000546080721 314810055 /nfs/dbraw/zinc/81/00/55/314810055.db2.gz IUNXWSCHWIWKRB-UHFFFAOYSA-N 1 0 347.459 3.372 20 5 EGBDRO CCC[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000548488199 315016187 /nfs/dbraw/zinc/01/61/87/315016187.db2.gz ZPDQASGNNZITDV-DZGCQCFKSA-N 1 0 349.431 3.490 20 5 EGBDRO C[C@@H](C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)Cn1cccn1 ZINC000549550475 315096520 /nfs/dbraw/zinc/09/65/20/315096520.db2.gz IQFNDWGFXAMPFC-AWEZNQCLSA-N 1 0 340.383 3.477 20 5 EGBDRO CC(C)c1cc(N[C@H](C)c2ccccc2[N+](=O)[O-])nc(N(C)C)[nH+]1 ZINC000553185742 315249455 /nfs/dbraw/zinc/24/94/55/315249455.db2.gz ZUTCTEOKCYTRTN-GFCCVEGCSA-N 1 0 329.404 3.169 20 5 EGBDRO C[C@H](C(=O)NCCCC[NH+]1CCC(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000555726565 315399957 /nfs/dbraw/zinc/39/99/57/315399957.db2.gz QZKLQRANIDDVJR-INIZCTEOSA-N 1 0 347.459 3.327 20 5 EGBDRO C[C@H](C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000562225852 315805865 /nfs/dbraw/zinc/80/58/65/315805865.db2.gz CQBTZHHDYAUQKR-CQSZACIVSA-N 1 0 327.384 3.317 20 5 EGBDRO C[C@]1(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCO[C@H]1C1CC1 ZINC000571372469 317188918 /nfs/dbraw/zinc/18/89/18/317188918.db2.gz FBTKISAORRPJLT-XYVMCAHJSA-N 1 0 348.447 3.070 20 5 EGBDRO C[C@H]([NH2+]C1CCC(O)(C(F)(F)F)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000574272466 317579870 /nfs/dbraw/zinc/57/98/70/317579870.db2.gz GATFYZBHVLVALC-JKDOVBDQSA-N 1 0 332.322 3.481 20 5 EGBDRO CC(C)([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000179599271 323395756 /nfs/dbraw/zinc/39/57/56/323395756.db2.gz NWYLIJSGESKCSS-UHFFFAOYSA-N 1 0 347.802 3.372 20 5 EGBDRO Cc1cc(N2CC[C@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000579573300 325129081 /nfs/dbraw/zinc/12/90/81/325129081.db2.gz DYWWNQIOAYJKIJ-AWEZNQCLSA-N 1 0 329.322 3.112 20 5 EGBDRO Cc1cccc([C@H](C)C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000581662596 325380588 /nfs/dbraw/zinc/38/05/88/325380588.db2.gz OTFZZMWATNTEMJ-CRAIPNDOSA-N 1 0 344.411 3.036 20 5 EGBDRO C[C@H](CC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)C1CC[NH2+]CC1 ZINC000582124487 325416247 /nfs/dbraw/zinc/41/62/47/325416247.db2.gz HAWNVXJOEZUEPM-CQSZACIVSA-N 1 0 345.443 3.112 20 5 EGBDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000157987658 455256284 /nfs/dbraw/zinc/25/62/84/455256284.db2.gz VGTLRXZWUXYVQQ-OKILXGFUSA-N 1 0 328.416 3.473 20 5 EGBDRO C[C@H]([NH2+]Cc1cccc(C(=O)N(C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000173307299 455263088 /nfs/dbraw/zinc/26/30/88/455263088.db2.gz JADUZXQQJVXGDR-ZDUSSCGKSA-N 1 0 327.384 3.147 20 5 EGBDRO CC(C)c1ccc(C[N@@H+]2CCOCC3(CCOCC3)C2)cc1[N+](=O)[O-] ZINC000183269498 455266139 /nfs/dbraw/zinc/26/61/39/455266139.db2.gz XOPNQGGSDKFDSB-UHFFFAOYSA-N 1 0 348.443 3.347 20 5 EGBDRO CC(=O)c1ccc(NC[C@@H](Cc2ccccc2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000015128878 453558645 /nfs/dbraw/zinc/55/86/45/453558645.db2.gz NDDCVJGNHJKMKQ-QGZVFWFLSA-N 1 0 341.411 3.382 20 5 EGBDRO Cc1cc(C(=O)NCCC[N@@H+](C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000018232652 453649610 /nfs/dbraw/zinc/64/96/10/453649610.db2.gz WTEALVMVNUTEDL-UHFFFAOYSA-N 1 0 341.411 3.155 20 5 EGBDRO O=C(Nc1ccccc1)[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000025932259 453789702 /nfs/dbraw/zinc/78/97/02/453789702.db2.gz WKLUMORWZXOQIL-INIZCTEOSA-N 1 0 339.395 3.446 20 5 EGBDRO CC[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CCCCC1 ZINC000027286297 453814303 /nfs/dbraw/zinc/81/43/03/453814303.db2.gz HMUKZDUURGMPKC-UHFFFAOYSA-N 1 0 331.416 3.139 20 5 EGBDRO C[C@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCS1 ZINC000190689286 455367899 /nfs/dbraw/zinc/36/78/99/455367899.db2.gz GDHMTDVZPWJXSZ-ZDUSSCGKSA-N 1 0 346.456 3.323 20 5 EGBDRO C[NH+](C)C1(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CCCC1 ZINC000052936720 453850289 /nfs/dbraw/zinc/85/02/89/453850289.db2.gz ZNGDPGASIBHNNU-UHFFFAOYSA-N 1 0 347.440 3.414 20 5 EGBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000081335191 453862561 /nfs/dbraw/zinc/86/25/61/453862561.db2.gz ZQEKKTUFKRARJP-LBPRGKRZSA-N 1 0 339.823 3.052 20 5 EGBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000081361843 453864707 /nfs/dbraw/zinc/86/47/07/453864707.db2.gz OFVWUCUXFIFFNT-HNNXBMFYSA-N 1 0 347.459 3.063 20 5 EGBDRO C[C@@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC000032731409 453886269 /nfs/dbraw/zinc/88/62/69/453886269.db2.gz COIUYMZYKBZORH-NEPJUHHUSA-N 1 0 339.823 3.241 20 5 EGBDRO CC[NH+](CC)[C@H](CNC(=O)c1ccccc1[N+](=O)[O-])c1ccco1 ZINC000067275974 453916700 /nfs/dbraw/zinc/91/67/00/453916700.db2.gz UMYUUVBVGJOANF-OAHLLOKOSA-N 1 0 331.372 3.001 20 5 EGBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@@H](CCO)c1ccccc1 ZINC000075899699 453937846 /nfs/dbraw/zinc/93/78/46/453937846.db2.gz UADJQKNYLZYURF-INIZCTEOSA-N 1 0 330.384 3.029 20 5 EGBDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000075941703 453940520 /nfs/dbraw/zinc/94/05/20/453940520.db2.gz HHBGTOLOSNMRNA-UHFFFAOYSA-N 1 0 341.411 3.365 20 5 EGBDRO CC(C)[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(C)CC1 ZINC000041945488 453985522 /nfs/dbraw/zinc/98/55/22/453985522.db2.gz ZNATWHFRHDCDLM-SFHVURJKSA-N 1 0 347.459 3.010 20 5 EGBDRO CC[NH+](CC)CCOc1ccccc1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000042698858 454021162 /nfs/dbraw/zinc/02/11/62/454021162.db2.gz CHBUNTBKIYFGLH-UHFFFAOYSA-N 1 0 347.371 3.161 20 5 EGBDRO CCN(C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CC[NH+](C)CC1 ZINC000600863005 460623044 /nfs/dbraw/zinc/62/30/44/460623044.db2.gz GGSKHBYHAZLHKZ-UHFFFAOYSA-N 1 0 340.811 3.196 20 5 EGBDRO CCc1ccc([C@H]([NH2+]C[C@@H]2CCOC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000612407721 460623185 /nfs/dbraw/zinc/62/31/85/460623185.db2.gz WBTRSABNNDTYGD-SCLBCKFNSA-N 1 0 330.384 3.466 20 5 EGBDRO C[C@H]1CCC[N@H+](Cc2ccc(CNc3c([N+](=O)[O-])ncn3C)cc2)C1 ZINC000076750636 454033133 /nfs/dbraw/zinc/03/31/33/454033133.db2.gz JKGZZIOQJSQEQD-AWEZNQCLSA-N 1 0 343.431 3.172 20 5 EGBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000085620557 454035325 /nfs/dbraw/zinc/03/53/25/454035325.db2.gz AYNRKNYMMFVAAQ-OAHLLOKOSA-N 1 0 348.447 3.407 20 5 EGBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000085635993 454035601 /nfs/dbraw/zinc/03/56/01/454035601.db2.gz PEYPTBXCZJFEOT-CQSZACIVSA-N 1 0 334.420 3.017 20 5 EGBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](Cc3ccc(F)cc3)CC2)cn1 ZINC000076851683 454043752 /nfs/dbraw/zinc/04/37/52/454043752.db2.gz LDBPYZLUUDKVPX-UHFFFAOYSA-N 1 0 330.363 3.205 20 5 EGBDRO CC(C)[N@H+](C)CC1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000056343118 454052208 /nfs/dbraw/zinc/05/22/08/454052208.db2.gz RTHKKFVLCXOGGO-UHFFFAOYSA-N 1 0 334.420 3.179 20 5 EGBDRO CC(C)(C)CC[NH+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000056356204 454054292 /nfs/dbraw/zinc/05/42/92/454054292.db2.gz NUJFZWOJEDKYNS-UHFFFAOYSA-N 1 0 334.420 3.181 20 5 EGBDRO CC(C)[N@H+](C)CC1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000087192663 454069025 /nfs/dbraw/zinc/06/90/25/454069025.db2.gz XQZXAEAXBAGIKO-UHFFFAOYSA-N 1 0 347.459 3.106 20 5 EGBDRO C[NH+](C)CCN(C(=O)CCc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000087203683 454069629 /nfs/dbraw/zinc/06/96/29/454069629.db2.gz LNRFXTBVGBEVMM-UHFFFAOYSA-N 1 0 347.459 3.250 20 5 EGBDRO C[NH+](C)C1(CNC(=O)NCc2ccccc2[N+](=O)[O-])CCCCCC1 ZINC000043780731 454077569 /nfs/dbraw/zinc/07/75/69/454077569.db2.gz ABZJEOJWZAIHDX-UHFFFAOYSA-N 1 0 348.447 3.049 20 5 EGBDRO C[C@H](CNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)C[NH+]1CCCCC1 ZINC000057039102 454098099 /nfs/dbraw/zinc/09/80/99/454098099.db2.gz PYYGDVFRKIECHH-HUUCEWRRSA-N 1 0 348.447 3.077 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000088718407 454117307 /nfs/dbraw/zinc/11/73/07/454117307.db2.gz OAQDHRIXBKGXQC-IYBDPMFKSA-N 1 0 347.459 3.229 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+][C@H](C(=O)N2CCCC2)C(C)C)cc1[N+](=O)[O-] ZINC000089723084 454183779 /nfs/dbraw/zinc/18/37/79/454183779.db2.gz QGLNZMKHDVZKLP-YOEHRIQHSA-N 1 0 333.432 3.201 20 5 EGBDRO CC[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C[C@H]1CCOC1 ZINC000089886182 454225489 /nfs/dbraw/zinc/22/54/89/454225489.db2.gz RYFIQMLSXMRULK-CYBMUJFWSA-N 1 0 331.372 3.108 20 5 EGBDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000058842878 454237355 /nfs/dbraw/zinc/23/73/55/454237355.db2.gz ADEHVLHOOOJTMU-CYBMUJFWSA-N 1 0 346.431 3.316 20 5 EGBDRO Cc1ccc([C@H](C)NC2CC[NH+](C[C@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000095968180 454242375 /nfs/dbraw/zinc/24/23/75/454242375.db2.gz ZKQWYMXVXYADSG-JKSUJKDBSA-N 1 0 347.459 3.055 20 5 EGBDRO COc1ccccc1OCCN1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000131486185 454258244 /nfs/dbraw/zinc/25/82/44/454258244.db2.gz QMCNLZIAEDBCOC-UHFFFAOYSA-N 1 0 328.368 3.041 20 5 EGBDRO Cc1cccc(C(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000059890320 454263687 /nfs/dbraw/zinc/26/36/87/454263687.db2.gz OEKGOXQJHGQYEC-UGSOOPFHSA-N 1 0 333.432 3.144 20 5 EGBDRO Cc1ccc(C(=O)NCC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000059982526 454265911 /nfs/dbraw/zinc/26/59/11/454265911.db2.gz ZBZOSGSGIOEVSI-KBPBESRZSA-N 1 0 347.459 3.390 20 5 EGBDRO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3cc([N+](=O)[O-])c[nH]3)cc2)C1 ZINC000046934276 454303190 /nfs/dbraw/zinc/30/31/90/454303190.db2.gz SXGJUBYYQBFRFN-CYBMUJFWSA-N 1 0 342.399 3.407 20 5 EGBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(-c2ccncc2)cc1 ZINC000090538220 454318838 /nfs/dbraw/zinc/31/88/38/454318838.db2.gz BZEJYKHMYLIILN-CQSZACIVSA-N 1 0 337.383 3.204 20 5 EGBDRO Cc1ccc(C(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000047038135 454323701 /nfs/dbraw/zinc/32/37/01/454323701.db2.gz KFGPWHJCYIKKSR-GASCZTMLSA-N 1 0 347.459 3.391 20 5 EGBDRO CCOc1ccc(NC(=O)C[N@@H+]2C[C@H](C)C[C@H]2CC)c([N+](=O)[O-])c1 ZINC000072697926 454329587 /nfs/dbraw/zinc/32/95/87/454329587.db2.gz MCVCBTDHZWUNHQ-CHWSQXEVSA-N 1 0 335.404 3.052 20 5 EGBDRO CCN(Cc1cccs1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000132348656 454331467 /nfs/dbraw/zinc/33/14/67/454331467.db2.gz HSZCHPJYNVSBOD-INIZCTEOSA-N 1 0 345.424 3.284 20 5 EGBDRO Cc1occc1C[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000063559692 454424117 /nfs/dbraw/zinc/42/41/17/454424117.db2.gz PBKLXIVZSUETCF-UHFFFAOYSA-N 1 0 331.372 3.265 20 5 EGBDRO Cc1occc1C[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000063559695 454424610 /nfs/dbraw/zinc/42/46/10/454424610.db2.gz CEOASEPMGHUORO-UHFFFAOYSA-N 1 0 331.372 3.265 20 5 EGBDRO Cc1c(NC(=O)CC[N@@H+]([C@@H](C)C2CC2)C2CC2)cccc1[N+](=O)[O-] ZINC000121402152 454431107 /nfs/dbraw/zinc/43/11/07/454431107.db2.gz XFEJLCKFUZBMSR-ZDUSSCGKSA-N 1 0 331.416 3.495 20 5 EGBDRO O=[N+]([O-])c1cccc(CN2CC[NH+](CCc3cccs3)CC2)c1 ZINC000064352390 454475137 /nfs/dbraw/zinc/47/51/37/454475137.db2.gz VWKHNHBDIDMFKI-UHFFFAOYSA-N 1 0 331.441 3.017 20 5 EGBDRO O=[N+]([O-])c1cc(Br)cnc1NCC[NH+]1CCCCCC1 ZINC000048589314 454500874 /nfs/dbraw/zinc/50/08/74/454500874.db2.gz SEKYGRCGAUDISQ-UHFFFAOYSA-N 1 0 343.225 3.040 20 5 EGBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000182198439 455458908 /nfs/dbraw/zinc/45/89/08/455458908.db2.gz RNPBVMHWPARIKI-DZGCQCFKSA-N 1 0 348.424 3.233 20 5 EGBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H]([NH+](CC)CC)C1 ZINC000184830471 455455420 /nfs/dbraw/zinc/45/54/20/455455420.db2.gz ULNLBLSZRHXGLA-WMZOPIPTSA-N 1 0 347.459 3.106 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C1CC1)C1CCCC1 ZINC000103466257 454558666 /nfs/dbraw/zinc/55/86/66/454558666.db2.gz CLONWEKXHYUYFV-UHFFFAOYSA-N 1 0 347.415 3.339 20 5 EGBDRO Cc1ccc(C(=O)N2CC[NH+](CC3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC000050008840 454569216 /nfs/dbraw/zinc/56/92/16/454569216.db2.gz BDZGVPBYAPJZQX-UHFFFAOYSA-N 1 0 345.443 3.241 20 5 EGBDRO Cc1cccc(CN(CC[NH+](C)C)C(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000103931734 454570956 /nfs/dbraw/zinc/57/09/56/454570956.db2.gz PGCQUGRVVXTKHH-UHFFFAOYSA-N 1 0 341.411 3.107 20 5 EGBDRO C[C@H]1C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CCS1 ZINC000104695345 454596966 /nfs/dbraw/zinc/59/69/66/454596966.db2.gz AXMNNHXSPCOSKC-LBPRGKRZSA-N 1 0 333.413 3.230 20 5 EGBDRO COc1ccc(OCC[N@H+](C)[C@H](C)c2cccnc2)c([N+](=O)[O-])c1 ZINC000093235844 454694439 /nfs/dbraw/zinc/69/44/39/454694439.db2.gz SSTGZEYOYQKNLS-CYBMUJFWSA-N 1 0 331.372 3.070 20 5 EGBDRO CCN(CC)[C@H](C[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)c1ccco1 ZINC000106468586 454696488 /nfs/dbraw/zinc/69/64/88/454696488.db2.gz MFKGVENJIOIHOC-MRXNPFEDSA-N 1 0 347.415 3.369 20 5 EGBDRO C[NH+](C)CCCOc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000107195693 454745802 /nfs/dbraw/zinc/74/58/02/454745802.db2.gz DOFVZKXSMACLRK-UHFFFAOYSA-N 1 0 343.383 3.178 20 5 EGBDRO Cc1cc(C(=O)N2CCC[C@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)cc([N+](=O)[O-])c1 ZINC000139786659 454810515 /nfs/dbraw/zinc/81/05/15/454810515.db2.gz GAMKFHWYWQSTOM-UXLLHSPISA-N 1 0 345.443 3.381 20 5 EGBDRO CC(C)[N@H+]1C[C@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[C@@H](C)C1 ZINC000177055452 454816850 /nfs/dbraw/zinc/81/68/50/454816850.db2.gz QYKCGLHHTFZBHP-FZMZJTMJSA-N 1 0 347.440 3.268 20 5 EGBDRO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2C(C)C)c([N+](=O)[O-])c1 ZINC000140423402 454820922 /nfs/dbraw/zinc/82/09/22/454820922.db2.gz HMXPEVKMGDDNFP-OAHLLOKOSA-N 1 0 335.404 3.052 20 5 EGBDRO Cc1c([C@H](C)[NH2+]C[C@@H]2CCN(CC(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000163143701 454825737 /nfs/dbraw/zinc/82/57/37/454825737.db2.gz DPVUKNKLKPQGOR-STQMWFEESA-N 1 0 345.365 3.438 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000191392902 455483391 /nfs/dbraw/zinc/48/33/91/455483391.db2.gz QVYOUGFVLLPTSH-CQSZACIVSA-N 1 0 334.420 3.208 20 5 EGBDRO CCCC[N@H+](C)CC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000112918698 454906182 /nfs/dbraw/zinc/90/61/82/454906182.db2.gz XOVTWIRZFNALLG-UHFFFAOYSA-N 1 0 333.432 3.179 20 5 EGBDRO CC[C@H]([NH2+]C[C@@H](O)COc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000177797789 454906808 /nfs/dbraw/zinc/90/68/08/454906808.db2.gz NZXBAIPJDKMXQA-AEFFLSMTSA-N 1 0 330.384 3.075 20 5 EGBDRO C[C@H]([NH2+][C@H]1CCN(C(=O)C2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000126761266 454917319 /nfs/dbraw/zinc/91/73/19/454917319.db2.gz QJKQIEMDWZHTRK-BBRMVZONSA-N 1 0 331.416 3.037 20 5 EGBDRO Cc1ccc(C[NH2+]CCc2nc3c(cccc3F)n2C)cc1[N+](=O)[O-] ZINC000113358612 454924235 /nfs/dbraw/zinc/92/42/35/454924235.db2.gz KKTLJBUDYKAUHG-UHFFFAOYSA-N 1 0 342.374 3.261 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@H]1CCO[C@@]2(CCSC2)C1 ZINC000151352670 454972994 /nfs/dbraw/zinc/97/29/94/454972994.db2.gz XOXHWCPUMDQEAR-JRKQMZJPSA-N 1 0 334.441 3.252 20 5 EGBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)NCc1ccccc1F ZINC000114748840 454976485 /nfs/dbraw/zinc/97/64/85/454976485.db2.gz OYRKXLPEASIFFQ-QWHCGFSZSA-N 1 0 345.374 3.089 20 5 EGBDRO C[C@@H]([NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])C(=O)NC(C)(C)C ZINC000179138249 455012334 /nfs/dbraw/zinc/01/23/34/455012334.db2.gz XCSROSJUWCLQEC-IIAWOOMASA-N 1 0 347.459 3.199 20 5 EGBDRO Cn1cc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c(-c2cccs2)n1 ZINC000179423580 455046443 /nfs/dbraw/zinc/04/64/43/455046443.db2.gz RCYFVTGMFIWNDX-UHFFFAOYSA-N 1 0 342.424 3.389 20 5 EGBDRO Cc1noc(C)c1CC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000155936513 455064247 /nfs/dbraw/zinc/06/42/47/455064247.db2.gz GVKNNGRQKUVYBC-KRWDZBQOSA-N 1 0 329.400 3.353 20 5 EGBDRO C[C@@H]([NH2+][C@@H](C)C1CCOCC1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000179857481 455090102 /nfs/dbraw/zinc/09/01/02/455090102.db2.gz TXJAXKJNQAWVEC-NWDGAFQWSA-N 1 0 346.387 3.111 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]CCCN(C)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000156375024 455110566 /nfs/dbraw/zinc/11/05/66/455110566.db2.gz WITXCZUORQRJPP-LBPRGKRZSA-N 1 0 333.354 3.438 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000156392617 455113179 /nfs/dbraw/zinc/11/31/79/455113179.db2.gz MKSOEOGAQCWBGM-OAHLLOKOSA-N 1 0 348.447 3.393 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(NCC2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000180042036 455120845 /nfs/dbraw/zinc/12/08/45/455120845.db2.gz KNPQEPUFADTIJF-UHFFFAOYSA-N 1 0 327.388 3.022 20 5 EGBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000172153393 455128788 /nfs/dbraw/zinc/12/87/88/455128788.db2.gz MPYLYSOMMSDMON-INIZCTEOSA-N 1 0 348.447 3.001 20 5 EGBDRO C[C@@H]([NH2+]CC(=O)N[C@@H](C)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180436884 455170492 /nfs/dbraw/zinc/17/04/92/455170492.db2.gz MPYVKDRVKZSDCQ-KGLIPLIRSA-N 1 0 327.384 3.123 20 5 EGBDRO O=[N+]([O-])c1cnn(CCN2CCC[C@H]2c2nc3ccccc3s2)c1 ZINC000157370333 455188770 /nfs/dbraw/zinc/18/87/70/455188770.db2.gz MKJRJXNLVPRLFE-AWEZNQCLSA-N 1 0 343.412 3.238 20 5 EGBDRO CC[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1SCC(C)C ZINC000157385495 455189444 /nfs/dbraw/zinc/18/94/44/455189444.db2.gz YYIUWQMKJWIKFY-UHFFFAOYSA-N 1 0 339.461 3.024 20 5 EGBDRO Cc1cc(C)cc([C@H](C)[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000182910418 455189878 /nfs/dbraw/zinc/18/98/78/455189878.db2.gz AOSGTASUKRLAHJ-YJBOKZPZSA-N 1 0 344.411 3.302 20 5 EGBDRO COc1ccc(C[N@H+](C)CCOc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC000173497322 455295048 /nfs/dbraw/zinc/29/50/48/455295048.db2.gz CRRKUMKDEIGROV-UHFFFAOYSA-N 1 0 346.383 3.123 20 5 EGBDRO O=[N+]([O-])c1ccn(CC[NH2+]C2(c3ccc(F)cc3F)CCCC2)n1 ZINC000181247278 455307658 /nfs/dbraw/zinc/30/76/58/455307658.db2.gz KZRWJPQLRFCXGV-UHFFFAOYSA-N 1 0 336.342 3.129 20 5 EGBDRO CC[NH+](CC)[C@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)CC(C)C ZINC000173707725 455328754 /nfs/dbraw/zinc/32/87/54/455328754.db2.gz GLIXPCHJUAVLNR-KRWDZBQOSA-N 1 0 335.448 3.010 20 5 EGBDRO C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@@H]1CCC[C@H]1O ZINC000245744785 455370380 /nfs/dbraw/zinc/37/03/80/455370380.db2.gz GOPHDWWIMWALMF-WMLDXEAASA-N 1 0 330.384 3.448 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)N(C)[C@@H](C)CC(C)C)cc1[N+](=O)[O-] ZINC000181823954 455385866 /nfs/dbraw/zinc/38/58/66/455385866.db2.gz ANSCSSFVTLHJFU-GJZGRUSLSA-N 1 0 335.448 3.447 20 5 EGBDRO C[C@@H]1C[C@H]1[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000245901576 455394357 /nfs/dbraw/zinc/39/43/57/455394357.db2.gz NYPHKNRWXKALQN-LYRGGWFBSA-N 1 0 334.807 3.432 20 5 EGBDRO C[NH+](C)CCN(Cc1ccccn1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000190880960 455396410 /nfs/dbraw/zinc/39/64/10/455396410.db2.gz SGYLPPMYXMVPQR-UHFFFAOYSA-N 1 0 334.807 3.211 20 5 EGBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCC1CC[NH+](C)CC1 ZINC000184720728 455436201 /nfs/dbraw/zinc/43/62/01/455436201.db2.gz XYVVYUHPIHKQAP-QGZVFWFLSA-N 1 0 347.459 3.012 20 5 EGBDRO CC[N@@H+](Cc1ccccc1C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182208657 455461257 /nfs/dbraw/zinc/46/12/57/455461257.db2.gz IMGOFHJAEUDEHI-KRWDZBQOSA-N 1 0 344.411 3.165 20 5 EGBDRO C[C@@H](NC(=O)NCC[C@H](C)[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000184886691 455466995 /nfs/dbraw/zinc/46/69/95/455466995.db2.gz ZMLOVQSLGIFACI-LSDHHAIUSA-N 1 0 348.447 3.220 20 5 EGBDRO CC1(C)C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CCO1 ZINC000160575219 455475773 /nfs/dbraw/zinc/47/57/73/455475773.db2.gz DZFUTYHNJYJYEJ-NSHDSACASA-N 1 0 330.331 3.243 20 5 EGBDRO C[C@@H]([NH2+]C1CCC(O)(c2cccnc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000185010666 455485642 /nfs/dbraw/zinc/48/56/42/455485642.db2.gz WINTXLFFGYYAHM-ZCGYKAAXSA-N 1 0 341.411 3.471 20 5 EGBDRO CCS(=O)(=O)c1ccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000182336240 455491617 /nfs/dbraw/zinc/49/16/17/455491617.db2.gz DDPXBNOKCGFDHP-CYBMUJFWSA-N 1 0 348.424 3.239 20 5 EGBDRO COC(=O)[C@@](C)(C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000191585261 455500716 /nfs/dbraw/zinc/50/07/16/455500716.db2.gz HYJYLVCBHFVOEB-IBGZPJMESA-N 1 0 342.395 3.124 20 5 EGBDRO C[C@@H](O)[C@](C)(C[NH2+]Cc1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000191710040 455511941 /nfs/dbraw/zinc/51/19/41/455511941.db2.gz HUXYUCCQODMAST-BEFAXECRSA-N 1 0 328.412 3.314 20 5 EGBDRO CC(C)NC(=O)C[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000160903684 455512206 /nfs/dbraw/zinc/51/22/06/455512206.db2.gz AIBSJUOTHGNGNM-LBPRGKRZSA-N 1 0 347.440 3.499 20 5 EGBDRO C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc(OC(F)(F)F)cc1 ZINC000182507593 455529175 /nfs/dbraw/zinc/52/91/75/455529175.db2.gz LICLSQQITJQCCK-SNVBAGLBSA-N 1 0 344.293 3.041 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC000182604976 455551602 /nfs/dbraw/zinc/55/16/02/455551602.db2.gz TZJFFEBBCKOHFM-HNNXBMFYSA-N 1 0 341.411 3.492 20 5 EGBDRO Cc1ccc(C[N@H+]2CCC[C@@H](CC(=O)OC(C)C)C2)cc1[N+](=O)[O-] ZINC000185579314 455580193 /nfs/dbraw/zinc/58/01/93/455580193.db2.gz OETUWUBNTFJOFT-HNNXBMFYSA-N 1 0 334.416 3.457 20 5 EGBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000268141382 455600524 /nfs/dbraw/zinc/60/05/24/455600524.db2.gz DMAAFMLOWVMNFI-IINYFYTJSA-N 1 0 345.424 3.022 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000192458684 455622664 /nfs/dbraw/zinc/62/26/64/455622664.db2.gz JJEHQDPTWVPBBF-HUUCEWRRSA-N 1 0 345.443 3.286 20 5 EGBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000247556578 455623070 /nfs/dbraw/zinc/62/30/70/455623070.db2.gz ZSBWCGRTAILLON-GDBMZVCRSA-N 1 0 348.447 3.220 20 5 EGBDRO CSC[C@H]1CCC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000292361773 455641307 /nfs/dbraw/zinc/64/13/07/455641307.db2.gz IEHQIRHXTAEOFP-LBPRGKRZSA-N 1 0 348.428 3.220 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@H]1CCCC[C@@H]1C ZINC000192623154 455655402 /nfs/dbraw/zinc/65/54/02/455655402.db2.gz XWQQPCAXSIMRSF-WFASDCNBSA-N 1 0 335.404 3.052 20 5 EGBDRO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@H+](CCCCCF)CC3)nc2c1 ZINC000284257658 455657975 /nfs/dbraw/zinc/65/79/75/455657975.db2.gz WSNKKKPZDPLTTI-UHFFFAOYSA-N 1 0 349.410 3.123 20 5 EGBDRO C[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@H]2CCCC[C@@H]12 ZINC000248419665 455714890 /nfs/dbraw/zinc/71/48/90/455714890.db2.gz LEEWECDXNOLMSF-DQYPLSBCSA-N 1 0 332.400 3.472 20 5 EGBDRO COC[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000271670165 455718445 /nfs/dbraw/zinc/71/84/45/455718445.db2.gz GHUVXKSXTPTGCC-INIZCTEOSA-N 1 0 336.338 3.393 20 5 EGBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCC[C@H](C(=O)N(C)C)C2)cccc1[N+](=O)[O-] ZINC000268884859 455718617 /nfs/dbraw/zinc/71/86/17/455718617.db2.gz INSCQYFGEVXIMA-SOUVJXGZSA-N 1 0 333.432 3.201 20 5 EGBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000248676257 455725770 /nfs/dbraw/zinc/72/57/70/455725770.db2.gz YVIQGVYZORYVSR-ZBFHGGJFSA-N 1 0 349.479 3.210 20 5 EGBDRO Cc1ccc(NC(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000292793985 455759436 /nfs/dbraw/zinc/75/94/36/455759436.db2.gz MXZHVOJHXQYCRR-ZDUSSCGKSA-N 1 0 346.431 3.241 20 5 EGBDRO CN(CCc1ccc([N+](=O)[O-])cc1)Cc1nc(-c2cccs2)no1 ZINC000285300507 455820945 /nfs/dbraw/zinc/82/09/45/455820945.db2.gz LBVDJXVSABXSEF-UHFFFAOYSA-N 1 0 344.396 3.381 20 5 EGBDRO CCOc1cc(CN(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)ccc1[N+](=O)[O-] ZINC000285426197 455844023 /nfs/dbraw/zinc/84/40/23/455844023.db2.gz HAMIBVKJYJOYNM-XYPWUTKMSA-N 1 0 333.432 3.051 20 5 EGBDRO CC(C)C(=O)NC[C@@H]1CCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255566612 455870065 /nfs/dbraw/zinc/87/00/65/455870065.db2.gz CGIZVHJGUULCTJ-HWYHOQROSA-N 1 0 345.443 3.092 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cnc([C@H]3CCCO3)s2)cc1 ZINC000270178048 455894856 /nfs/dbraw/zinc/89/48/56/455894856.db2.gz FBDIGSJZMMFSMH-OAHLLOKOSA-N 1 0 333.413 3.235 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000296262789 455894862 /nfs/dbraw/zinc/89/48/62/455894862.db2.gz OEGOIOCSLSKWGO-USXIJHARSA-N 1 0 334.416 3.285 20 5 EGBDRO CC(C)C[NH+]1CCC(NC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000296287674 455900221 /nfs/dbraw/zinc/90/02/21/455900221.db2.gz JJCKBJIUSYFSEI-AWEZNQCLSA-N 1 0 348.447 3.075 20 5 EGBDRO Cn1nc(CC[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])c2ccccc21 ZINC000187382530 455902922 /nfs/dbraw/zinc/90/29/22/455902922.db2.gz PUMZCNHZEPGITK-SOFGYWHQSA-N 1 0 336.395 3.327 20 5 EGBDRO CC(C)c1ccc(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000285762824 455911375 /nfs/dbraw/zinc/91/13/75/455911375.db2.gz KOVNJNLNNXLLPP-ZBFHGGJFSA-N 1 0 345.443 3.417 20 5 EGBDRO CS[C@@H]1CC[N@@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000296366287 455919455 /nfs/dbraw/zinc/91/94/55/455919455.db2.gz RFDGYCCBPTWMQA-ZWNOBZJWSA-N 1 0 334.401 3.143 20 5 EGBDRO C[C@]1(C(N)=O)CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000280378626 455959018 /nfs/dbraw/zinc/95/90/18/455959018.db2.gz VYCBRICMUZZNBR-KRWDZBQOSA-N 1 0 345.424 3.021 20 5 EGBDRO C[C@H]([NH2+]CC(=O)N([C@@H](C)C1CC1)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000296529897 455964905 /nfs/dbraw/zinc/96/49/05/455964905.db2.gz CWXXURSBPCZUDQ-STQMWFEESA-N 1 0 331.416 3.035 20 5 EGBDRO Cc1cc(C(=O)N2CC[NH+](CC3CCCCC3)CC2)cc([N+](=O)[O-])c1 ZINC000195708049 455994537 /nfs/dbraw/zinc/99/45/37/455994537.db2.gz YUABOZPPYRZRDA-UHFFFAOYSA-N 1 0 345.443 3.241 20 5 EGBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1c1ccc([N+](=O)[O-])c2cccnc21 ZINC000286186422 455996383 /nfs/dbraw/zinc/99/63/83/455996383.db2.gz AUTWHCFYXVNXAS-UONOGXRCSA-N 1 0 326.400 3.206 20 5 EGBDRO Cc1ccc([C@H](C)NC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])cc1[N+](=O)[O-] ZINC000262356143 456027818 /nfs/dbraw/zinc/02/78/18/456027818.db2.gz UZRNLRHRZJENRS-PEOZDSOOSA-N 1 0 345.443 3.234 20 5 EGBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000270938949 456071043 /nfs/dbraw/zinc/07/10/43/456071043.db2.gz NEIKCSUXVNOUJY-LLVKDONJSA-N 1 0 339.823 3.051 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000296951213 456072777 /nfs/dbraw/zinc/07/27/77/456072777.db2.gz REBIKLKCKKRPMV-ZDUSSCGKSA-N 1 0 346.431 3.241 20 5 EGBDRO CCOc1cc(CN2C[C@@H]3CCCC[N@@H+]3C[C@H]2C)ccc1[N+](=O)[O-] ZINC000332496237 456084052 /nfs/dbraw/zinc/08/40/52/456084052.db2.gz BWEIEWXFWHZDJK-ZBFHGGJFSA-N 1 0 333.432 3.052 20 5 EGBDRO Cc1cnc(NCCC[N@@H+]2CCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000301447731 456119140 /nfs/dbraw/zinc/11/91/40/456119140.db2.gz OPJLPYKPDGBFKP-UHFFFAOYSA-N 1 0 326.400 3.159 20 5 EGBDRO Cc1cnc(N2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000301452374 456120153 /nfs/dbraw/zinc/12/01/53/456120153.db2.gz QUJNFEPUIHXFJR-MRXNPFEDSA-N 1 0 340.427 3.399 20 5 EGBDRO COCc1cc([N+](=O)[O-])ccc1N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000301474535 456124396 /nfs/dbraw/zinc/12/43/96/456124396.db2.gz MXWQKKJZSRHUMF-INIZCTEOSA-N 1 0 333.432 3.418 20 5 EGBDRO CCOc1ccc([C@H](C)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000271106640 456127931 /nfs/dbraw/zinc/12/79/31/456127931.db2.gz GHTZPYOPWMGWFU-CWRNSKLLSA-N 1 0 333.432 3.271 20 5 EGBDRO C[C@H](C[NH+]1CCCCC1)Nc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000301513488 456134390 /nfs/dbraw/zinc/13/43/90/456134390.db2.gz JENARCXJZJLKPF-LLVKDONJSA-N 1 0 329.347 3.483 20 5 EGBDRO COCCO[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000188826246 456146090 /nfs/dbraw/zinc/14/60/90/456146090.db2.gz LXOVTYSLMRBTQL-AWEZNQCLSA-N 1 0 346.383 3.092 20 5 EGBDRO Cc1cc(N[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000301610524 456160449 /nfs/dbraw/zinc/16/04/49/456160449.db2.gz CPCCRNVZMMUGBK-HOCLYGCPSA-N 1 0 326.400 3.373 20 5 EGBDRO Cc1nc(NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000301618696 456163928 /nfs/dbraw/zinc/16/39/28/456163928.db2.gz DBADYQPMTFYOQW-CYBMUJFWSA-N 1 0 326.400 3.157 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000289918801 456180209 /nfs/dbraw/zinc/18/02/09/456180209.db2.gz VQFAXJRCULSHHU-AWEZNQCLSA-N 1 0 348.447 3.257 20 5 EGBDRO COc1ccc(CNC[C@@]2([NH+](C)C)CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000237188634 456244535 /nfs/dbraw/zinc/24/45/35/456244535.db2.gz KLQULXDCTFFTGN-KBXCAEBGSA-N 1 0 335.448 3.204 20 5 EGBDRO COc1ccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)c(OC)c1OC ZINC000237241146 456252321 /nfs/dbraw/zinc/25/23/21/456252321.db2.gz PGPVTFJHXWRBCO-UHFFFAOYSA-N 1 0 346.383 3.219 20 5 EGBDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(Nc2ncc([N+](=O)[O-])c(N)n2)cc1 ZINC000301987787 456265734 /nfs/dbraw/zinc/26/57/34/456265734.db2.gz LBJQOSDVGZKHDJ-LBPRGKRZSA-N 1 0 342.403 3.085 20 5 EGBDRO CCC[C@H]1CN(c2ccc([N+](=O)[O-])cn2)CC[N@@H+]1Cc1ccccc1 ZINC000302014130 456269204 /nfs/dbraw/zinc/26/92/04/456269204.db2.gz KZGQBBRENCEAOF-SFHVURJKSA-N 1 0 340.427 3.481 20 5 EGBDRO CCOc1cccc(N2CC[NH+](C3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000302164465 456305071 /nfs/dbraw/zinc/30/50/71/456305071.db2.gz QUJVTKVSYGJMKD-UHFFFAOYSA-N 1 0 333.432 3.448 20 5 EGBDRO COc1ccc(NC(=O)CC[N@H+]([C@H](C)C2CC2)C2CC2)c([N+](=O)[O-])c1 ZINC000297966290 456333772 /nfs/dbraw/zinc/33/37/72/456333772.db2.gz UWTQGULPFQCYAJ-GFCCVEGCSA-N 1 0 347.415 3.195 20 5 EGBDRO CCOc1cc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])ccc1O ZINC000298034492 456348775 /nfs/dbraw/zinc/34/87/75/456348775.db2.gz GKBCKXFYZQNYIB-UHFFFAOYSA-N 1 0 330.384 3.374 20 5 EGBDRO COCCC[NH+]1CCC(Nc2c(C)cc([N+](=O)[O-])cc2Cl)CC1 ZINC000302678754 456373743 /nfs/dbraw/zinc/37/37/43/456373743.db2.gz NYSLTHXJQOKGFH-UHFFFAOYSA-N 1 0 341.839 3.469 20 5 EGBDRO Cn1c2ccc(C[NH2+]C(C)(C)c3ccc([N+](=O)[O-])cc3)cc2oc1=O ZINC000352916425 456410160 /nfs/dbraw/zinc/41/01/60/456410160.db2.gz SSYPPRMEVXWPDL-UHFFFAOYSA-N 1 0 341.367 3.065 20 5 EGBDRO O=C(NCc1ccccc1[N+](=O)[O-])c1ccc(C[NH+]2CCCC2)cc1 ZINC000298636368 456506544 /nfs/dbraw/zinc/50/65/44/456506544.db2.gz HQWXSXGZBOKVBU-UHFFFAOYSA-N 1 0 339.395 3.121 20 5 EGBDRO C[C@@H](CO)[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1CCCC1 ZINC000276593155 456523371 /nfs/dbraw/zinc/52/33/71/456523371.db2.gz QEWNTJRUMFLLLQ-ZDUSSCGKSA-N 1 0 345.399 3.375 20 5 EGBDRO CCNc1ccc(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000343323790 456531820 /nfs/dbraw/zinc/53/18/20/456531820.db2.gz TUDYIAJUHMJRMU-KGLIPLIRSA-N 1 0 348.447 3.019 20 5 EGBDRO C[C@H]1C[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CN1Cc1ccccc1 ZINC000305216379 456538058 /nfs/dbraw/zinc/53/80/58/456538058.db2.gz IXUKKKHQIJZABW-QFBILLFUSA-N 1 0 339.439 3.390 20 5 EGBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H](O)c1c(F)cccc1F ZINC000282567643 456556348 /nfs/dbraw/zinc/55/63/48/456556348.db2.gz ZFDBHZZXWLWHIA-MRXNPFEDSA-N 1 0 336.338 3.081 20 5 EGBDRO Cc1ccc(C[N@@H+]2CC[C@](CO)(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000291230106 456572984 /nfs/dbraw/zinc/57/29/84/456572984.db2.gz KHGRVDOWEQDMBY-IBGZPJMESA-N 1 0 326.396 3.039 20 5 EGBDRO CCCC[N@H+](C)CC1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000299065654 456595891 /nfs/dbraw/zinc/59/58/91/456595891.db2.gz JTETVXNUJAPBQJ-UHFFFAOYSA-N 1 0 347.459 3.108 20 5 EGBDRO CCC[NH+]1CCC(N(C)C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000299176454 456627923 /nfs/dbraw/zinc/62/79/23/456627923.db2.gz XNPNPYKRXQQGEX-UHFFFAOYSA-N 1 0 339.823 3.195 20 5 EGBDRO CCOc1cc(C[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)ccc1[N+](=O)[O-] ZINC000276960325 456631425 /nfs/dbraw/zinc/63/14/25/456631425.db2.gz VKICTQSTTCLYAN-CQSZACIVSA-N 1 0 330.388 3.096 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC[C@H]([NH+](C)C)CC1 ZINC000277201699 456722075 /nfs/dbraw/zinc/72/20/75/456722075.db2.gz MQJBLJKJJKFGIQ-INIZCTEOSA-N 1 0 335.448 3.298 20 5 EGBDRO COc1cc(C[NH2+]C[C@@H]2C[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000299667377 456759261 /nfs/dbraw/zinc/75/92/61/456759261.db2.gz XQHYPMJSSAPDAQ-UWVGGRQHSA-N 1 0 348.321 3.290 20 5 EGBDRO C[C@H]1C[N@H+](Cc2ccccc2)CCN1Cc1ccccc1[N+](=O)[O-] ZINC000353568542 456768024 /nfs/dbraw/zinc/76/80/24/456768024.db2.gz LYKRMNXHHJUFBA-INIZCTEOSA-N 1 0 325.412 3.301 20 5 EGBDRO COC[C@H]1CC[N@H+](Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C1 ZINC000353608035 456798994 /nfs/dbraw/zinc/79/89/94/456798994.db2.gz DAQGGSREWOELEY-ZDUSSCGKSA-N 1 0 346.383 3.332 20 5 EGBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccccc1-n1ccnn1 ZINC000353616600 456805965 /nfs/dbraw/zinc/80/59/65/456805965.db2.gz BQPXFSJTOFKSST-AWEZNQCLSA-N 1 0 337.383 3.069 20 5 EGBDRO CN(CC1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000301174840 456812924 /nfs/dbraw/zinc/81/29/24/456812924.db2.gz FYINROUJNVZZKN-UHFFFAOYSA-N 1 0 331.338 3.392 20 5 EGBDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000339064488 456923858 /nfs/dbraw/zinc/92/38/58/456923858.db2.gz HXXYWAKKHNGAPA-WDEREUQCSA-N 1 0 331.338 3.138 20 5 EGBDRO C[C@H](CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)[N@@H+]1CCCC[C@@H]1C ZINC000349373296 456956950 /nfs/dbraw/zinc/95/69/50/456956950.db2.gz ONIKLFIHZHADFJ-QWHCGFSZSA-N 1 0 344.415 3.069 20 5 EGBDRO CC[NH+](CC)Cc1cccc(CNc2ccc([N+](=O)[O-])c(C)n2)c1 ZINC000349383543 456959645 /nfs/dbraw/zinc/95/96/45/456959645.db2.gz VJANVGHFRBMOQD-UHFFFAOYSA-N 1 0 328.416 3.174 20 5 EGBDRO CC1CCC([N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C2CC2)CC1 ZINC000339222098 456999640 /nfs/dbraw/zinc/99/96/40/456999640.db2.gz RKYBVYWPSNGMKJ-JTTJXQCZSA-N 1 0 348.443 3.378 20 5 EGBDRO CC[C@@H]([NH2+]Cc1ccc2c(c1)C(=O)NCC2)c1cccc([N+](=O)[O-])c1 ZINC000349698413 457019725 /nfs/dbraw/zinc/01/97/25/457019725.db2.gz YOCAZSCZQOCWSM-GOSISDBHSA-N 1 0 339.395 3.122 20 5 EGBDRO C[C@@H]1CC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1(C)C ZINC000354043141 457028334 /nfs/dbraw/zinc/02/83/34/457028334.db2.gz VTTKODSCIXTBRF-CJNGLKHVSA-N 1 0 331.416 3.068 20 5 EGBDRO CC[C@@H](C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C)[NH+](CC)CC ZINC000359256491 457069059 /nfs/dbraw/zinc/06/90/59/457069059.db2.gz FUACPMMUUAWLBT-KRWDZBQOSA-N 1 0 335.448 3.452 20 5 EGBDRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1c1ncccc1[N+](=O)[O-] ZINC000346678184 457108230 /nfs/dbraw/zinc/10/82/30/457108230.db2.gz WUDLEBXWSBMHNF-LSDHHAIUSA-N 1 0 326.400 3.089 20 5 EGBDRO CC[NH+](CC)CC1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000331003643 457117035 /nfs/dbraw/zinc/11/70/35/457117035.db2.gz GRNRVQZVDXJUDV-UHFFFAOYSA-N 1 0 348.447 3.489 20 5 EGBDRO Cc1c(C[NH2+]Cc2ccc(N3CCCC3)nc2)cccc1[N+](=O)[O-] ZINC000359816927 457132084 /nfs/dbraw/zinc/13/20/84/457132084.db2.gz KXIHQODVHACNKQ-UHFFFAOYSA-N 1 0 326.400 3.188 20 5 EGBDRO CC(C)c1ccc(C[NH2+][C@@H](CC(N)=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000339531593 457137354 /nfs/dbraw/zinc/13/73/54/457137354.db2.gz MYGLLRGQFQWSKV-KRWDZBQOSA-N 1 0 341.411 3.425 20 5 EGBDRO C[N@H+](CCN1CCc2ccc([N+](=O)[O-])cc2C1)Cc1ccc(F)cc1 ZINC000359911577 457144645 /nfs/dbraw/zinc/14/46/45/457144645.db2.gz OAOQZMVXGDNKQI-UHFFFAOYSA-N 1 0 343.402 3.224 20 5 EGBDRO Cc1ccc(CN(C)CC(=O)Nc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000350050174 457154361 /nfs/dbraw/zinc/15/43/61/457154361.db2.gz DPKIFLYHTPZNAU-UHFFFAOYSA-N 1 0 331.347 3.113 20 5 EGBDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000356788840 457167178 /nfs/dbraw/zinc/16/71/78/457167178.db2.gz DRJWKAGBMQCNMU-ZIAGYGMSSA-N 1 0 326.400 3.186 20 5 EGBDRO CCCN(CC[NH+]1CCCC1)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000342255140 457193733 /nfs/dbraw/zinc/19/37/33/457193733.db2.gz BXYUEGRNUIRNEF-UHFFFAOYSA-N 1 0 339.823 3.196 20 5 EGBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@H](CC3CC3)C2)c([N+](=O)[O-])c1 ZINC000339681413 457210028 /nfs/dbraw/zinc/21/00/28/457210028.db2.gz HKFNMLJUTWIGDU-CQSZACIVSA-N 1 0 347.415 3.054 20 5 EGBDRO CC1CCC([N@H+](C)CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1 ZINC000331707125 457234455 /nfs/dbraw/zinc/23/44/55/457234455.db2.gz ILKBVUTUNADCNT-UHFFFAOYSA-N 1 0 347.415 3.403 20 5 EGBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000331722232 457238939 /nfs/dbraw/zinc/23/89/39/457238939.db2.gz KBFDJCTWVCVBIJ-SFHVURJKSA-N 1 0 345.443 3.350 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@H](CO)CC(F)(F)F)o1 ZINC000339789679 457271222 /nfs/dbraw/zinc/27/12/22/457271222.db2.gz YWJVLRWYAOABPI-SNVBAGLBSA-N 1 0 344.289 3.258 20 5 EGBDRO CC[C@@H](CC(F)(F)F)[NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000354541635 457279358 /nfs/dbraw/zinc/27/93/58/457279358.db2.gz JTGUGCOSYNXCTQ-GWCFXTLKSA-N 1 0 345.321 3.021 20 5 EGBDRO COc1cc(C)ccc1C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000351525412 457302340 /nfs/dbraw/zinc/30/23/40/457302340.db2.gz RUGNHKYKLMNWFO-CVEARBPZSA-N 1 0 344.415 3.382 20 5 EGBDRO CC1(C)CC(NC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC(C)(C)[NH2+]1 ZINC000347318569 457349950 /nfs/dbraw/zinc/34/99/50/457349950.db2.gz VFBNDCUANCCXOX-UHFFFAOYSA-N 1 0 338.383 3.165 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000332348526 457353165 /nfs/dbraw/zinc/35/31/65/457353165.db2.gz AKURDDANFVYBHY-OAHLLOKOSA-N 1 0 346.431 3.065 20 5 EGBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)C[C@@H]21 ZINC000369913176 457458140 /nfs/dbraw/zinc/45/81/40/457458140.db2.gz QGXHRYSMZZNERX-LEWSCRJBSA-N 1 0 345.424 3.009 20 5 EGBDRO Cc1ccnc(N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)c1[N+](=O)[O-] ZINC000425272568 457478206 /nfs/dbraw/zinc/47/82/06/457478206.db2.gz GSMTVBKQKBGAKN-DLBZAZTESA-N 1 0 338.411 3.009 20 5 EGBDRO Cc1ccncc1CCC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000347581804 457525311 /nfs/dbraw/zinc/52/53/11/457525311.db2.gz HIZSVCULSKFRIB-UHFFFAOYSA-N 1 0 340.427 3.053 20 5 EGBDRO CCCN(CC[NH+]1CCCCC1)C(=O)c1cc([N+](=O)[O-])ccc1C ZINC000342783792 457525842 /nfs/dbraw/zinc/52/58/42/457525842.db2.gz JTCBZCMCWBLNBJ-UHFFFAOYSA-N 1 0 333.432 3.241 20 5 EGBDRO C[C@@H]1CN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H](C)C[N@@H+]1C ZINC000361170277 457626953 /nfs/dbraw/zinc/62/69/53/457626953.db2.gz YHHWCGFXTPYFLE-KGLIPLIRSA-N 1 0 329.400 3.379 20 5 EGBDRO Cc1nc(CC[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c(C)o1 ZINC000357780245 457686716 /nfs/dbraw/zinc/68/67/16/457686716.db2.gz VXDGQDHFBOXXME-QGZVFWFLSA-N 1 0 329.400 3.353 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CC(=O)N(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000357802719 457695335 /nfs/dbraw/zinc/69/53/35/457695335.db2.gz WCEKNUVPHREFCL-HOCLYGCPSA-N 1 0 339.395 3.359 20 5 EGBDRO Cc1c([C@H](C)[NH2+]Cc2ccc(OCCO)cc2)cccc1[N+](=O)[O-] ZINC000358026230 457744165 /nfs/dbraw/zinc/74/41/65/457744165.db2.gz PXGKOECQRSYIIH-AWEZNQCLSA-N 1 0 330.384 3.125 20 5 EGBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C/C=C\c3ccc(F)cc3F)CC2)n1 ZINC000425992119 457756242 /nfs/dbraw/zinc/75/62/42/457756242.db2.gz AQYQRWAAVHKLMP-UPHRSURJSA-N 1 0 348.353 3.420 20 5 EGBDRO CCCc1nc(C)c(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)o1 ZINC000426350794 457808553 /nfs/dbraw/zinc/80/85/53/457808553.db2.gz YVTBYPNXXUKTRH-ZIAGYGMSSA-N 1 0 347.419 3.314 20 5 EGBDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000411174937 457820154 /nfs/dbraw/zinc/82/01/54/457820154.db2.gz BTKYGRRZYFDNMH-FHLIZLRMSA-N 1 0 345.443 3.079 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H]1CC(C)C ZINC000411218992 457833023 /nfs/dbraw/zinc/83/30/23/457833023.db2.gz JSPXFWMASSNJAI-CQSZACIVSA-N 1 0 349.431 3.443 20 5 EGBDRO CC[NH+](CC)C[C@H](C)NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000361801326 457869962 /nfs/dbraw/zinc/86/99/62/457869962.db2.gz RJIBQKHDUMKJMS-JTQLQIEISA-N 1 0 347.337 3.074 20 5 EGBDRO CC(C)[NH+](CCN(C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(C)C ZINC000444672829 457935618 /nfs/dbraw/zinc/93/56/18/457935618.db2.gz GQQMIFTUJNEFBQ-UHFFFAOYSA-N 1 0 333.436 3.022 20 5 EGBDRO COCC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1CC[C@H](C)C1 ZINC000444713775 457952995 /nfs/dbraw/zinc/95/29/95/457952995.db2.gz ZTXZZZWUZUJENK-STQMWFEESA-N 1 0 332.404 3.108 20 5 EGBDRO Cc1c(C[N@@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000444729879 457958505 /nfs/dbraw/zinc/95/85/05/457958505.db2.gz IGTGVPUFJFFWCW-OCCSQVGLSA-N 1 0 332.322 3.038 20 5 EGBDRO CCCN(CC[NH+]1CCCCC1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000411727008 457963992 /nfs/dbraw/zinc/96/39/92/457963992.db2.gz MVBAEGGTXXMNTB-UHFFFAOYSA-N 1 0 346.431 3.434 20 5 EGBDRO CC(C)[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](O)COc1ccccc1 ZINC000444811224 457982486 /nfs/dbraw/zinc/98/24/86/457982486.db2.gz IGDNVAIILZBKMI-KRWDZBQOSA-N 1 0 344.411 3.245 20 5 EGBDRO CC(C)[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H](O)COc1ccccc1 ZINC000444809049 457983543 /nfs/dbraw/zinc/98/35/43/457983543.db2.gz BDPOVCNRTZNTBN-SFHVURJKSA-N 1 0 344.411 3.245 20 5 EGBDRO CCOC(=O)c1cc(NCC2CC[NH+](C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000444879639 457991144 /nfs/dbraw/zinc/99/11/44/457991144.db2.gz VORSPSWLLBILJH-UHFFFAOYSA-N 1 0 347.415 3.058 20 5 EGBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCSC2(CCC2)CC1 ZINC000411863284 457995765 /nfs/dbraw/zinc/99/57/65/457995765.db2.gz BXQOCVDCMAKZMT-CYBMUJFWSA-N 1 0 349.456 3.283 20 5 EGBDRO COc1ccc(OCC[N@@H+]2CCSC(C)(C)CC2)c([N+](=O)[O-])c1 ZINC000434696582 458037353 /nfs/dbraw/zinc/03/73/53/458037353.db2.gz ZYPHWOUZTKUEJZ-UHFFFAOYSA-N 1 0 340.445 3.200 20 5 EGBDRO CSc1cccc(C(=O)N2CCC3(CCC[N@@H+]3C)CC2)c1[N+](=O)[O-] ZINC000368882273 458063659 /nfs/dbraw/zinc/06/36/59/458063659.db2.gz MRGPRMRXPUPXFH-UHFFFAOYSA-N 1 0 349.456 3.017 20 5 EGBDRO O=C(NCc1c[nH]cn1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000358587868 458093108 /nfs/dbraw/zinc/09/31/08/458093108.db2.gz KYVWVIHSZCFLOK-UHFFFAOYSA-N 1 0 338.323 3.040 20 5 EGBDRO COc1ccc(NC(=O)CC[N@@H+]2CCCCC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000446071574 458139471 /nfs/dbraw/zinc/13/94/71/458139471.db2.gz JXTNGOUGJJQDHY-UHFFFAOYSA-N 1 0 349.431 3.444 20 5 EGBDRO CC[C@]1(C)CCC[N@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000362385306 458140223 /nfs/dbraw/zinc/14/02/23/458140223.db2.gz WRUCYHQDDKSUEB-GOSISDBHSA-N 1 0 349.431 3.444 20 5 EGBDRO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCCCC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000446081250 458143213 /nfs/dbraw/zinc/14/32/13/458143213.db2.gz VIWIBDDBIPZYIA-CYBMUJFWSA-N 1 0 349.431 3.443 20 5 EGBDRO Cc1ccc(CC2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)cc1C ZINC000428707386 458195459 /nfs/dbraw/zinc/19/54/59/458195459.db2.gz FYXMMOXTHIVZFX-UHFFFAOYSA-N 1 0 342.443 3.363 20 5 EGBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H](C)C1 ZINC000429024086 458258197 /nfs/dbraw/zinc/25/81/97/458258197.db2.gz WOLGTVWAPNBJEJ-IGCXYCKISA-N 1 0 337.851 3.410 20 5 EGBDRO CCOc1cc(CN2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000429021217 458258523 /nfs/dbraw/zinc/25/85/23/458258523.db2.gz OFMOMNPHYYALFW-IIDMSEBBSA-N 1 0 347.459 3.156 20 5 EGBDRO C[C@H]1C[C@@H]1c1ccc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)o1 ZINC000369557063 458264774 /nfs/dbraw/zinc/26/47/74/458264774.db2.gz RVUYJAVRZIOHNK-WFASDCNBSA-N 1 0 330.388 3.345 20 5 EGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCCc2ccccc2)n1 ZINC000447521307 458304371 /nfs/dbraw/zinc/30/43/71/458304371.db2.gz WCBAYHFCNQRQTJ-IAGOWNOFSA-N 1 0 328.416 3.497 20 5 EGBDRO O=C(CC1CCCC1)NCC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447543151 458307822 /nfs/dbraw/zinc/30/78/22/458307822.db2.gz RDOFDHGBGOVXRG-SFHVURJKSA-N 1 0 345.443 3.258 20 5 EGBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCOc2ccc(F)cc2)n1 ZINC000447539612 458308027 /nfs/dbraw/zinc/30/80/27/458308027.db2.gz HGSSQLZDLPJVMH-CVEARBPZSA-N 1 0 348.378 3.083 20 5 EGBDRO COC(=O)[C@H]1CC[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)[C@H]1C(C)C ZINC000429359742 458320699 /nfs/dbraw/zinc/32/06/99/458320699.db2.gz DSKYUFUQHOVUQG-QRTARXTBSA-N 1 0 334.416 3.484 20 5 EGBDRO C[C@H]1CC[C@@H]([N@H+](C)CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000429575207 458348408 /nfs/dbraw/zinc/34/84/08/458348408.db2.gz UKMCMXORBMQWGC-CMPLNLGQSA-N 1 0 325.796 3.307 20 5 EGBDRO C[C@H]1CC[C@@H]([N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000429580521 458349419 /nfs/dbraw/zinc/34/94/19/458349419.db2.gz PNBYFHYUQKGOLZ-WDEREUQCSA-N 1 0 325.796 3.307 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]Cc2cc(=O)[nH]c(C3CC3)n2)cc1[N+](=O)[O-] ZINC000459388203 458356114 /nfs/dbraw/zinc/35/61/14/458356114.db2.gz OKLKBPDBQYFESL-NSHDSACASA-N 1 0 328.372 3.127 20 5 EGBDRO C[C@H]1CCCC[C@@]1(C)[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000459616858 458429508 /nfs/dbraw/zinc/42/95/08/458429508.db2.gz QMXWYWANZSCZST-SCLBCKFNSA-N 1 0 331.416 3.042 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H]1NCCc3ccccc31)CCC2 ZINC000423445543 458434772 /nfs/dbraw/zinc/43/47/72/458434772.db2.gz YJCSXJBVPPFVPE-WOJBJXKFSA-N 1 0 337.423 3.449 20 5 EGBDRO C[C@H](CCCc1cccnc1)[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000459647328 458435480 /nfs/dbraw/zinc/43/54/80/458435480.db2.gz UDTVIZOAWUEHLW-OAHLLOKOSA-N 1 0 329.400 3.370 20 5 EGBDRO O=[N+]([O-])c1ccccc1OCCN1CCc2c(F)ccc(F)c2C1 ZINC000437540203 458464504 /nfs/dbraw/zinc/46/45/04/458464504.db2.gz VVUASQKZRMWSGS-UHFFFAOYSA-N 1 0 334.322 3.310 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@H](C)C(=O)OC(C)(C)C ZINC000459809455 458484143 /nfs/dbraw/zinc/48/41/43/458484143.db2.gz PMQFDBCWEQPFJM-LBPRGKRZSA-N 1 0 338.404 3.013 20 5 EGBDRO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000430825010 458495539 /nfs/dbraw/zinc/49/55/39/458495539.db2.gz YKGZTIWMVNMGOK-GXTWGEPZSA-N 1 0 339.461 3.287 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccnc(-n2cccn2)c1 ZINC000468620689 458527866 /nfs/dbraw/zinc/52/78/66/458527866.db2.gz KGICPPSTAPBLJX-GDNBJRDFSA-N 1 0 349.394 3.369 20 5 EGBDRO C[C@@H]1C[C@H](C)N(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C[C@@H]1C[NH3+] ZINC000424058579 458547636 /nfs/dbraw/zinc/54/76/36/458547636.db2.gz VDWCERFVQXBKMY-MDZLAQPJSA-N 1 0 347.440 3.255 20 5 EGBDRO C[C@@H]1C[C@H](C)N(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C[C@H]1C[NH3+] ZINC000424058588 458547778 /nfs/dbraw/zinc/54/77/78/458547778.db2.gz VDWCERFVQXBKMY-NTZNESFSSA-N 1 0 347.440 3.255 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000470178870 458620492 /nfs/dbraw/zinc/62/04/92/458620492.db2.gz PBRWEVTZYYSFOF-DKTLHIEFSA-N 1 0 334.441 3.204 20 5 EGBDRO [NH3+]C1(c2noc(Cn3ccc4cc([N+](=O)[O-])ccc43)n2)CCCCC1 ZINC000424343499 458622314 /nfs/dbraw/zinc/62/23/14/458622314.db2.gz JPZUJPUOCCLHTR-UHFFFAOYSA-N 1 0 341.371 3.099 20 5 EGBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1c1ccnc2c1cccc2[N+](=O)[O-] ZINC000432158530 458691918 /nfs/dbraw/zinc/69/19/18/458691918.db2.gz WNLPDONBOZAWKF-KBPBESRZSA-N 1 0 326.400 3.206 20 5 EGBDRO C[NH+](C)[C@@H](CNc1ccnc2c1cccc2[N+](=O)[O-])c1ccco1 ZINC000432312282 458712321 /nfs/dbraw/zinc/71/23/21/458712321.db2.gz NTKCQTUVJPHDMG-HNNXBMFYSA-N 1 0 326.356 3.451 20 5 EGBDRO CC[C@H](Cc1ccc(C)cc1)[N@H+](CC)CCn1cc([N+](=O)[O-])cn1 ZINC000472249522 458777681 /nfs/dbraw/zinc/77/76/81/458777681.db2.gz JNQNKHBLNMZIJH-QGZVFWFLSA-N 1 0 330.432 3.443 20 5 EGBDRO O=[N+]([O-])c1cnn(CC[N@H+](CCc2ccccc2F)C2CCCC2)c1 ZINC000472456414 458797679 /nfs/dbraw/zinc/79/76/79/458797679.db2.gz XCXOGFXFXDEIKH-UHFFFAOYSA-N 1 0 346.406 3.418 20 5 EGBDRO CCOC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000495565780 458884364 /nfs/dbraw/zinc/88/43/64/458884364.db2.gz NFTPIVXHQBCPCF-DGCLKSJQSA-N 1 0 341.433 3.003 20 5 EGBDRO CCC[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](CC)c1ccccc1 ZINC000441285260 458913406 /nfs/dbraw/zinc/91/34/06/458913406.db2.gz LLMCAYYOTUQLOS-MSOLQXFVSA-N 1 0 346.431 3.016 20 5 EGBDRO COc1ccc(OCC[N@@H+]2CC[C@H](c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000441546367 458959334 /nfs/dbraw/zinc/95/93/34/458959334.db2.gz UWUQHUSNVNKXDB-INIZCTEOSA-N 1 0 342.395 3.472 20 5 EGBDRO COC[C@@H](Cc1ccccc1)[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000475750601 458964977 /nfs/dbraw/zinc/96/49/77/458964977.db2.gz QRWKALZHIHYCIH-GOSISDBHSA-N 1 0 344.411 3.163 20 5 EGBDRO CCC(C)(C)[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000441642798 458967524 /nfs/dbraw/zinc/96/75/24/458967524.db2.gz HMOPRCYQGKLBQE-MRXNPFEDSA-N 1 0 349.431 3.443 20 5 EGBDRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000476226452 458988221 /nfs/dbraw/zinc/98/82/21/458988221.db2.gz XTWIORQTKZPIMG-HNNXBMFYSA-N 1 0 347.459 3.253 20 5 EGBDRO C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2OC(F)F)C[N@@H+]1C1CC1 ZINC000577432823 459032249 /nfs/dbraw/zinc/03/22/49/459032249.db2.gz ICPHZSZYKOWLBV-NXEZZACHSA-N 1 0 327.331 3.233 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+]C1(c2ccccc2)CC1 ZINC000477505573 459047238 /nfs/dbraw/zinc/04/72/38/459047238.db2.gz BSYAEDCKBRMYKP-UHFFFAOYSA-N 1 0 325.368 3.121 20 5 EGBDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000520498256 459064422 /nfs/dbraw/zinc/06/44/22/459064422.db2.gz YYAFLKUMIISXCG-CQSZACIVSA-N 1 0 341.411 3.454 20 5 EGBDRO O=C1Nc2ccccc2CC[C@@H]1[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594514423 459072070 /nfs/dbraw/zinc/07/20/70/459072070.db2.gz XLAVNGGWQHSICD-SJORKVTESA-N 1 0 337.379 3.125 20 5 EGBDRO C[S@](=O)Cc1ccc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000594516728 459074801 /nfs/dbraw/zinc/07/48/01/459074801.db2.gz DBTOQKRHMBEDLD-XDHUDOTRSA-N 1 0 344.436 3.250 20 5 EGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@]1(CO)C[C@H]1c1ccccc1 ZINC000594518365 459076392 /nfs/dbraw/zinc/07/63/92/459076392.db2.gz GNNCYIWKMLATNV-BJLQDIEVSA-N 1 0 338.407 3.338 20 5 EGBDRO O=[N+]([O-])c1cnc(N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c(C(F)(F)F)c1 ZINC000594596657 459103399 /nfs/dbraw/zinc/10/33/99/459103399.db2.gz AZVSQQMRWZSSAI-CHWSQXEVSA-N 1 0 344.337 3.437 20 5 EGBDRO CCc1nn(C)c(Nc2cccc(CC[N@H+](C)C3CC3)c2)c1[N+](=O)[O-] ZINC000567539678 459121385 /nfs/dbraw/zinc/12/13/85/459121385.db2.gz LSFQEDMOBWTYPT-UHFFFAOYSA-N 1 0 343.431 3.271 20 5 EGBDRO COc1ccc(-c2ccc(CNCC3([NH3+])CCCC3)o2)c([N+](=O)[O-])c1 ZINC000594739236 459147502 /nfs/dbraw/zinc/14/75/02/459147502.db2.gz PPORYIFYWVSEPK-UHFFFAOYSA-N 1 0 345.399 3.225 20 5 EGBDRO C[N@H+](CC1CCCCC1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000532901095 459157551 /nfs/dbraw/zinc/15/75/51/459157551.db2.gz ZXBJQGFKZBDTAG-QGZVFWFLSA-N 1 0 331.416 3.212 20 5 EGBDRO CC[C@H](C)[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000532968210 459168197 /nfs/dbraw/zinc/16/81/97/459168197.db2.gz YAKSCINQUJDVGI-BBRMVZONSA-N 1 0 349.431 3.443 20 5 EGBDRO CC(C)C[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000521821580 459180136 /nfs/dbraw/zinc/18/01/36/459180136.db2.gz KTERUHYOVPUZIG-KRWDZBQOSA-N 1 0 336.432 3.235 20 5 EGBDRO COC[C@@H](C)Oc1ccc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000594938897 459184834 /nfs/dbraw/zinc/18/48/34/459184834.db2.gz TYAUKYCFBXTZOM-OAHLLOKOSA-N 1 0 344.411 3.341 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCc1cn2c(n1)SCC2 ZINC000558681181 459195085 /nfs/dbraw/zinc/19/50/85/459195085.db2.gz FYYDFASCWMVPHL-GFCCVEGCSA-N 1 0 332.429 3.099 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](O)[C@H](C)c1ccccc1 ZINC000594999503 459210580 /nfs/dbraw/zinc/21/05/80/459210580.db2.gz AJJDUFURVRCNGV-KDOFPFPSSA-N 1 0 344.411 3.248 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@H](C)C[NH+]1CCCCC1 ZINC000595017758 459217429 /nfs/dbraw/zinc/21/74/29/459217429.db2.gz OENUITCNTNUSOQ-GJZGRUSLSA-N 1 0 335.448 3.376 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H](c1ccnn1C)C(C)C ZINC000595039402 459225477 /nfs/dbraw/zinc/22/54/77/459225477.db2.gz DXQIHTMSFCBTNQ-CJNGLKHVSA-N 1 0 346.431 3.427 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCC(C)(C)C[NH+]1CCCC1 ZINC000595045541 459226827 /nfs/dbraw/zinc/22/68/27/459226827.db2.gz NLRCXAYLOKQNKK-CQSZACIVSA-N 1 0 335.448 3.376 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H](C)C(=O)OC(C)(C)C ZINC000595047796 459227722 /nfs/dbraw/zinc/22/77/22/459227722.db2.gz TZAIADRAJZHSTD-VXGBXAGGSA-N 1 0 338.404 3.232 20 5 EGBDRO CC[C@@H]([NH2+]CC(C)(C)[C@@]1(O)CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000595099968 459245835 /nfs/dbraw/zinc/24/58/35/459245835.db2.gz HMVQXFGIDZJTAC-SJLPKXTDSA-N 1 0 336.432 3.203 20 5 EGBDRO CCc1ccc(C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000595222552 459258130 /nfs/dbraw/zinc/25/81/30/459258130.db2.gz NAOGXHRWKBAZQX-KRWDZBQOSA-N 1 0 345.443 3.009 20 5 EGBDRO Cc1noc(CN(C)Cc2ccc(OC(F)(F)F)cc2)c1[N+](=O)[O-] ZINC000595285921 459266069 /nfs/dbraw/zinc/26/60/69/459266069.db2.gz BSLRUNFUZFBQHE-UHFFFAOYSA-N 1 0 345.277 3.422 20 5 EGBDRO CC(=O)c1nc(CC[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)[nH]c1C ZINC000595419804 459293722 /nfs/dbraw/zinc/29/37/22/459293722.db2.gz LSDZAXFDYZZBED-LLVKDONJSA-N 1 0 330.388 3.031 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]3CCCC[C@H]3NC2=O)cc1[N+](=O)[O-] ZINC000595418961 459293756 /nfs/dbraw/zinc/29/37/56/459293756.db2.gz GVOVNXZBHOWBOE-LCGIIJARSA-N 1 0 331.416 3.001 20 5 EGBDRO CN(C(=O)C[N@@H+]1CC(C)(C)[C@@H]2CCC[C@@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000568658562 459324194 /nfs/dbraw/zinc/32/41/94/459324194.db2.gz WOVFAZFOQKPMFS-CVEARBPZSA-N 1 0 331.416 3.068 20 5 EGBDRO C[C@@H](O)CN(Cc1ccccc1)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000560469108 459352803 /nfs/dbraw/zinc/35/28/03/459352803.db2.gz YJVVJRSWEDFFRE-GFCCVEGCSA-N 1 0 336.338 3.256 20 5 EGBDRO O=C(C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21)NC1CCCC1 ZINC000591348320 459358431 /nfs/dbraw/zinc/35/84/31/459358431.db2.gz QYARAKASDVIQTC-KRWDZBQOSA-N 1 0 331.416 3.011 20 5 EGBDRO COC(=O)c1cc([C@H](C)N2CCc3c(cccc3[N+](=O)[O-])C2)oc1C ZINC000569067424 459387811 /nfs/dbraw/zinc/38/78/11/459387811.db2.gz LPKSTWRVDVUOSJ-NSHDSACASA-N 1 0 344.367 3.402 20 5 EGBDRO C[C@@H](CO)[C@H]1CCCC[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000595679415 459394354 /nfs/dbraw/zinc/39/43/54/459394354.db2.gz VZCNJOCLRXOXSD-SUMWQHHRSA-N 1 0 345.399 3.233 20 5 EGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]Cc1ccnc(OC(F)F)c1 ZINC000582676509 459408323 /nfs/dbraw/zinc/40/83/23/459408323.db2.gz HXZYXRGVMFFEQA-ZDUSSCGKSA-N 1 0 335.310 3.368 20 5 EGBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H]1C1CCCCC1 ZINC000541282773 459440028 /nfs/dbraw/zinc/44/00/28/459440028.db2.gz UUQJLODSYCZNRQ-IRXDYDNUSA-N 1 0 348.443 3.379 20 5 EGBDRO CC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000595858653 459465858 /nfs/dbraw/zinc/46/58/58/459465858.db2.gz YKMUCAHRWKYHMY-PHTAMDTFSA-N 1 0 328.372 3.408 20 5 EGBDRO CS[C@H]1CCC[C@@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000569921460 459530359 /nfs/dbraw/zinc/53/03/59/459530359.db2.gz UAFWWPROSUWNQA-OLZOCXBDSA-N 1 0 337.445 3.187 20 5 EGBDRO C[C@H]1C[C@H](Nc2c(Br)cccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000596143778 459536278 /nfs/dbraw/zinc/53/62/78/459536278.db2.gz ABHCCCOQGUQOGB-VHSXEESVSA-N 1 0 328.210 3.252 20 5 EGBDRO C[C@H](C(=O)NCCC[N@@H+]1CCCC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000562385631 459551622 /nfs/dbraw/zinc/55/16/22/459551622.db2.gz ZDAGKFMBWWQRKZ-CABCVRRESA-N 1 0 333.432 3.079 20 5 EGBDRO O=[N+]([O-])c1cc(F)ccc1N1CCC([NH2+]Cc2ccccc2)CC1 ZINC000596252842 459575941 /nfs/dbraw/zinc/57/59/41/459575941.db2.gz TXMLOPOMTPVOTJ-UHFFFAOYSA-N 1 0 329.375 3.493 20 5 EGBDRO CC(C)(C)[N@@H+]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000542763162 459589256 /nfs/dbraw/zinc/58/92/56/459589256.db2.gz NNEGSRBIGMRWPF-UHFFFAOYSA-N 1 0 338.383 3.072 20 5 EGBDRO Cc1nnc([C@@H](C)NCc2cc([N+](=O)[O-])ccc2C(F)(F)F)o1 ZINC000573581583 459700375 /nfs/dbraw/zinc/70/03/75/459700375.db2.gz JPIYRBVDBZXZOU-SSDOTTSWSA-N 1 0 330.266 3.156 20 5 EGBDRO Cc1ccc(NC(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000596639560 459710397 /nfs/dbraw/zinc/71/03/97/459710397.db2.gz VUYVFNHZJHZFRE-HNNXBMFYSA-N 1 0 346.431 3.147 20 5 EGBDRO CCc1cc(OC)ccc1C[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000501386112 459725558 /nfs/dbraw/zinc/72/55/58/459725558.db2.gz JJDPXDVSSKLWGU-UHFFFAOYSA-N 1 0 330.384 3.464 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000545211203 459810433 /nfs/dbraw/zinc/81/04/33/459810433.db2.gz DIPLPQNSSGDXLK-CQSZACIVSA-N 1 0 334.420 3.063 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000598562997 459939289 /nfs/dbraw/zinc/93/92/89/459939289.db2.gz YRGOSWKBICVORU-INIZCTEOSA-N 1 0 345.443 3.063 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H](CO)CCF)o2)c(Cl)c1 ZINC000593690160 459950484 /nfs/dbraw/zinc/95/04/84/459950484.db2.gz SJLKBJSIWKOHJI-JTQLQIEISA-N 1 0 342.754 3.318 20 5 EGBDRO Nc1c(F)cccc1C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000602473244 459955921 /nfs/dbraw/zinc/95/59/21/459955921.db2.gz DOPNBLQUDKAXGC-UHFFFAOYSA-N 1 0 345.374 3.360 20 5 EGBDRO CC[NH+](CC)[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1)CC(C)C ZINC000609451659 459964079 /nfs/dbraw/zinc/96/40/79/459964079.db2.gz DVIAGRWRSPNEFH-MRXNPFEDSA-N 1 0 339.411 3.220 20 5 EGBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000609530301 459975984 /nfs/dbraw/zinc/97/59/84/459975984.db2.gz BNCLNBKGEFUNKF-OAHLLOKOSA-N 1 0 347.459 3.497 20 5 EGBDRO C[C@H](CNCc1nc2cc([N+](=O)[O-])ccc2o1)[N@@H+]1CCCC[C@H]1C ZINC000602515959 459977607 /nfs/dbraw/zinc/97/76/07/459977607.db2.gz UMTZWXPPUCTNMY-CHWSQXEVSA-N 1 0 332.404 3.089 20 5 EGBDRO COc1ccc(CCC[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)cc1 ZINC000602517928 459979831 /nfs/dbraw/zinc/97/98/31/459979831.db2.gz HEIAZTXZODETJI-UHFFFAOYSA-N 1 0 341.367 3.467 20 5 EGBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602522846 459982012 /nfs/dbraw/zinc/98/20/12/459982012.db2.gz YONDJIFOPLQCBR-HZSPNIEDSA-N 1 0 346.431 3.192 20 5 EGBDRO CC(=O)N1CC[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)c2ccccc21 ZINC000598679712 459991832 /nfs/dbraw/zinc/99/18/32/459991832.db2.gz LHFNMQXAXKDIQQ-QGZVFWFLSA-N 1 0 339.395 3.491 20 5 EGBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]C[C@H]3OCCc4ccccc43)nc2c1 ZINC000602544967 459992783 /nfs/dbraw/zinc/99/27/83/459992783.db2.gz GCEKOOWFSBJUPI-QGZVFWFLSA-N 1 0 339.351 3.140 20 5 EGBDRO CO[C@H](C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)C(C)C ZINC000602559525 459997505 /nfs/dbraw/zinc/99/75/05/459997505.db2.gz DKVWMFCATMRLNE-SNVBAGLBSA-N 1 0 337.239 3.179 20 5 EGBDRO CC(C)[NH+](CCCNCc1nc2cc([N+](=O)[O-])ccc2o1)C(C)C ZINC000602566472 459999348 /nfs/dbraw/zinc/99/93/48/459999348.db2.gz ICDVPHZXOIARSW-UHFFFAOYSA-N 1 0 334.420 3.335 20 5 EGBDRO COc1cc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)c(Cl)cc1O ZINC000602579278 460005421 /nfs/dbraw/zinc/00/54/21/460005421.db2.gz FBCOVYVEBUJLEF-UHFFFAOYSA-N 1 0 336.775 3.295 20 5 EGBDRO C[C@H]([NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)[C@H]1CCCOC1 ZINC000602602852 460019362 /nfs/dbraw/zinc/01/93/62/460019362.db2.gz CPRUWTBTSUMOTE-IUCAKERBSA-N 1 0 349.250 3.324 20 5 EGBDRO Cn1c(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc2ccccc21 ZINC000602642432 460039112 /nfs/dbraw/zinc/03/91/12/460039112.db2.gz XVCSWMWDFYLNLK-UHFFFAOYSA-N 1 0 339.399 3.120 20 5 EGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH+]1CC([C@@H]2CCOC2)C1 ZINC000602650968 460043329 /nfs/dbraw/zinc/04/33/29/460043329.db2.gz UEINKQLZWHQPBL-LLVKDONJSA-N 1 0 330.306 3.082 20 5 EGBDRO COc1ccc([C@H](CN(C)C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000602654713 460045149 /nfs/dbraw/zinc/04/51/49/460045149.db2.gz RSFPPFIQQRJYFP-IBGZPJMESA-N 1 0 343.427 3.038 20 5 EGBDRO COCC(C)(C)C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602670960 460056033 /nfs/dbraw/zinc/05/60/33/460056033.db2.gz IDTZNBWPYHVVDG-UHFFFAOYSA-N 1 0 337.239 3.181 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C1CCN(CC(F)F)CC1)CCC2 ZINC000618570508 460066429 /nfs/dbraw/zinc/06/64/29/460066429.db2.gz MBDJCGKSUFXDGB-MRXNPFEDSA-N 1 0 339.386 3.291 20 5 EGBDRO CC(C)OC(=O)C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)C(C)C ZINC000594039700 460067498 /nfs/dbraw/zinc/06/74/98/460067498.db2.gz HVHOIXHBLUFRFX-OAHLLOKOSA-N 1 0 326.368 3.190 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@H]3CCC[C@@H]3C3CC3)CC2)cn1 ZINC000602695937 460070811 /nfs/dbraw/zinc/07/08/11/460070811.db2.gz PAHFNWNEFIWEPB-CRAIPNDOSA-N 1 0 344.459 3.375 20 5 EGBDRO C[C@H](O)C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000610161198 460073069 /nfs/dbraw/zinc/07/30/69/460073069.db2.gz OHJQSWIIPYALIS-INIZCTEOSA-N 1 0 344.411 3.247 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594057762 460078465 /nfs/dbraw/zinc/07/84/65/460078465.db2.gz ACQNJDGFWVQCBP-GOEBONIOSA-N 1 0 332.404 3.042 20 5 EGBDRO CCC(C)(C)[NH+]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000594056907 460079241 /nfs/dbraw/zinc/07/92/41/460079241.db2.gz IKELXDYVOALJLV-UHFFFAOYSA-N 1 0 334.420 3.241 20 5 EGBDRO [NH3+]C1(CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCCCC1 ZINC000598917160 460093035 /nfs/dbraw/zinc/09/30/35/460093035.db2.gz WTLYUDDGLBQAGL-UHFFFAOYSA-N 1 0 326.784 3.031 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCC[C@H]1[C@H](C)C[NH+](C)C ZINC000602755395 460107849 /nfs/dbraw/zinc/10/78/49/460107849.db2.gz FIDRGIBJWMKXLT-PBHICJAKSA-N 1 0 348.447 3.487 20 5 EGBDRO Cc1c(NC(=O)N2CCCC[C@H]2[C@@H](C)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000602764485 460112477 /nfs/dbraw/zinc/11/24/77/460112477.db2.gz XLERILSXKDCEAY-BBRMVZONSA-N 1 0 348.447 3.487 20 5 EGBDRO CC(C)(C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccccc1[N+](=O)[O-] ZINC000594196746 460144186 /nfs/dbraw/zinc/14/41/86/460144186.db2.gz MECMSRBZQXDRRI-NVXWUHKLSA-N 1 0 345.443 3.006 20 5 EGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCN1CC(F)F ZINC000599064662 460147742 /nfs/dbraw/zinc/14/77/42/460147742.db2.gz DIYGTSFJPRMLRH-ZFWWWQNUSA-N 1 0 341.402 3.235 20 5 EGBDRO CC[C@@H]([NH2+]C[C@@H]1CCCN1CC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000599066122 460149024 /nfs/dbraw/zinc/14/90/24/460149024.db2.gz QOCJKMGKERWEGG-LSDHHAIUSA-N 1 0 327.375 3.365 20 5 EGBDRO CCc1ccc([C@@H]([NH2+]C[C@H]2C[C@@H](O)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000599080449 460154352 /nfs/dbraw/zinc/15/43/52/460154352.db2.gz HBGGYCGKNMWLTJ-PNPHSEOMSA-N 1 0 330.384 3.200 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+]C2CCN(C[C@@H]3CCCO3)CC2)cc1[N+](=O)[O-] ZINC000610818832 460241834 /nfs/dbraw/zinc/24/18/34/460241834.db2.gz GQQNVAAQIHRARV-QAPCUYQASA-N 1 0 347.459 3.197 20 5 EGBDRO CO[C@@]1(C(F)(F)F)CCCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000614923401 460245560 /nfs/dbraw/zinc/24/55/60/460245560.db2.gz AAYOKTZBYHAGLU-AWEZNQCLSA-N 1 0 348.321 3.017 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1CNC(C)(C)C(=O)Nc1ccccc1 ZINC000610844545 460246368 /nfs/dbraw/zinc/24/63/68/460246368.db2.gz XCZDUZCJQCGAPZ-UHFFFAOYSA-N 1 0 343.383 3.110 20 5 EGBDRO CC(C)(NCc1ccc([N+](=O)[O-])cc1F)C(=O)Nc1ccccc1 ZINC000610844355 460246616 /nfs/dbraw/zinc/24/66/16/460246616.db2.gz LIWBNPQUULEWOT-UHFFFAOYSA-N 1 0 331.347 3.241 20 5 EGBDRO CC(C)c1ccc(C(=O)N[C@H](C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000615243284 460297863 /nfs/dbraw/zinc/29/78/63/460297863.db2.gz OBXBUGNKKAVEGC-CYBMUJFWSA-N 1 0 333.432 3.178 20 5 EGBDRO Cc1cc(NC2CC[NH+](C3CCOCC3)CC2)c(F)cc1[N+](=O)[O-] ZINC000603408300 460299568 /nfs/dbraw/zinc/29/95/68/460299568.db2.gz LIYSVTHZLBDVMD-UHFFFAOYSA-N 1 0 337.395 3.098 20 5 EGBDRO CCC(O)(CC)C[N@H+](C)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000599672533 460305805 /nfs/dbraw/zinc/30/58/05/460305805.db2.gz FGLORQQHUMSOGR-LBPRGKRZSA-N 1 0 348.403 3.189 20 5 EGBDRO NC(=O)C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C1CCCC1 ZINC000611254260 460318194 /nfs/dbraw/zinc/31/81/94/460318194.db2.gz IAEGABARDJFZMO-UHFFFAOYSA-N 1 0 343.383 3.085 20 5 EGBDRO C[N@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)[C@H]1CCc2ccccc21 ZINC000611253731 460318338 /nfs/dbraw/zinc/31/83/38/460318338.db2.gz LYRKUPZRIZMAKY-INIZCTEOSA-N 1 0 340.379 3.485 20 5 EGBDRO C[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC12CCC2 ZINC000611303395 460334415 /nfs/dbraw/zinc/33/44/15/460334415.db2.gz BWMKPQLQAKGSOA-AWEZNQCLSA-N 1 0 331.416 3.436 20 5 EGBDRO CC1CC[NH+](CCCNc2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000603842961 460347087 /nfs/dbraw/zinc/34/70/87/460347087.db2.gz SAMKBOBNOKCOSR-UHFFFAOYSA-N 1 0 328.416 3.099 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[NH+]2C[C@@H]3CN(c4ccccc4)C[C@H]3C2)cc1 ZINC000603905997 460357394 /nfs/dbraw/zinc/35/73/94/460357394.db2.gz NYIVNRVLJMZPOY-QZTJIDSGSA-N 1 0 337.423 3.206 20 5 EGBDRO CC(C)C([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C(C)C ZINC000611434239 460363920 /nfs/dbraw/zinc/36/39/20/460363920.db2.gz ZVRBHDLZDJWDQG-UHFFFAOYSA-N 1 0 327.812 3.457 20 5 EGBDRO O=C(Nc1ccccc1Nc1cc[nH+]cc1)c1ccc([N+](=O)[O-])cc1 ZINC000619581687 460389526 /nfs/dbraw/zinc/38/95/26/460389526.db2.gz OBAYZPZZSWRLCE-UHFFFAOYSA-N 1 0 334.335 3.408 20 5 EGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]Cc2nc(C3CC3)cs2)n1 ZINC000616008099 460448847 /nfs/dbraw/zinc/44/88/47/460448847.db2.gz FSAUBHQDRCOPLM-GXTWGEPZSA-N 1 0 347.444 3.399 20 5 EGBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+](C1CC1)C1CCCCC1 ZINC000612059103 460523235 /nfs/dbraw/zinc/52/32/35/460523235.db2.gz OXEUYORDLHVHTA-INIZCTEOSA-N 1 0 334.416 3.132 20 5 EGBDRO CC[NH+](CC)[C@H](CNC(=O)c1c(F)cccc1[N+](=O)[O-])CC(C)C ZINC000601164318 460737565 /nfs/dbraw/zinc/73/75/65/460737565.db2.gz SCRCLTIZDUBYOR-ZDUSSCGKSA-N 1 0 339.411 3.220 20 5 EGBDRO O=[N+]([O-])c1ncccc1NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000617474762 460872702 /nfs/dbraw/zinc/87/27/02/460872702.db2.gz VRXOTNOWHRZQNH-OAHLLOKOSA-N 1 0 344.440 3.019 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000613295103 460900114 /nfs/dbraw/zinc/90/01/14/460900114.db2.gz BNYMYUCSFHUXHC-CQSZACIVSA-N 1 0 334.420 3.206 20 5 EGBDRO C[C@H]([NH2+][C@@H]1CCN(c2ccccc2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000178654708 533988355 /nfs/dbraw/zinc/98/83/55/533988355.db2.gz CWQNMLOTSIUDTJ-SUMWQHHRSA-N 1 0 325.368 3.051 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000332348524 518189849 /nfs/dbraw/zinc/18/98/49/518189849.db2.gz AKURDDANFVYBHY-HNNXBMFYSA-N 1 0 346.431 3.065 20 5 EGBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)C1 ZINC000191397854 527812197 /nfs/dbraw/zinc/81/21/97/527812197.db2.gz BAGRKJFDTIQBBB-AWEZNQCLSA-N 1 0 334.420 3.017 20 5 EGBDRO CC[NH+](CC)CCCCNc1ncc([N+](=O)[O-])cc1Br ZINC000177544714 528099819 /nfs/dbraw/zinc/09/98/19/528099819.db2.gz ZQXUYVJDYDUEQR-UHFFFAOYSA-N 1 0 345.241 3.286 20 5 EGBDRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000175729765 528118436 /nfs/dbraw/zinc/11/84/36/528118436.db2.gz RXZIOCLGXWBFOG-LBPRGKRZSA-N 1 0 341.839 3.489 20 5 EGBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000139421996 528175001 /nfs/dbraw/zinc/17/50/01/528175001.db2.gz VCNQWPGMGJELPQ-LBPRGKRZSA-N 1 0 339.823 3.052 20 5 EGBDRO CC[NH+](CC)C[C@@H]1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000174206271 528176931 /nfs/dbraw/zinc/17/69/31/528176931.db2.gz JJGXYHZMZXQQKE-ZDUSSCGKSA-N 1 0 325.840 3.412 20 5 EGBDRO CCOc1ccc([C@@H](C)[NH2+][C@H]2[C@@H]3CCO[C@@H]3C2(C)C)cc1[N+](=O)[O-] ZINC000153951417 528598770 /nfs/dbraw/zinc/59/87/70/528598770.db2.gz WJTAXYZHMRESAC-DTJGQCLQSA-N 1 0 334.416 3.458 20 5 EGBDRO CCOCCC[N@@H+]1CC[C@H](NCc2cccc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000187012796 528669544 /nfs/dbraw/zinc/66/95/44/528669544.db2.gz QFSXZIROJOVLEI-QAPCUYQASA-N 1 0 349.475 3.130 20 5 EGBDRO CC[N@H+](Cn1cc(C)n(-c2ccccc2[N+](=O)[O-])c1=O)[C@@H](C)C(C)C ZINC000728706703 574768017 /nfs/dbraw/zinc/76/80/17/574768017.db2.gz CDXXFBFVPGWNJC-HNNXBMFYSA-N 1 0 346.431 3.180 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]Cc2ccccc2OCC2CC2)cc1 ZINC000731678946 575199492 /nfs/dbraw/zinc/19/94/92/575199492.db2.gz SZRODBNCEKLMEP-GOSISDBHSA-N 1 0 342.395 3.207 20 5 EGBDRO CC(C)[NH2+][C@H]1CCCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000732414256 575267780 /nfs/dbraw/zinc/26/77/80/575267780.db2.gz GPRSDQUVZWMBRZ-LBPRGKRZSA-N 1 0 340.811 3.243 20 5 EGBDRO CC[NH+](CC)[C@@H](CNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)CC(C)C ZINC000733156151 575311677 /nfs/dbraw/zinc/31/16/77/575311677.db2.gz BFQZWXADYRXYBW-ZVBPTUHVSA-N 1 0 347.459 3.481 20 5 EGBDRO CC(C)c1ccc(C[NH2+]C(C)(C)C(=O)N2CCCC2)cc1[N+](=O)[O-] ZINC000793394786 1309364103 /nfs/dbraw/zinc/36/41/03/1309364103.db2.gz LEZHVSOSVRWRKA-UHFFFAOYSA-N 1 0 333.432 3.209 20 5 EGBDRO C[C@H](CCCc1cccnc1)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000834570089 1293118264 /nfs/dbraw/zinc/11/82/64/1293118264.db2.gz CQKDUXKZDLBKAE-RDTXWAMCSA-N 1 0 329.400 3.024 20 5 EGBDRO C[C@@H](CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000126242742 1293528583 /nfs/dbraw/zinc/52/85/83/1293528583.db2.gz WBIYKCFFGMFSON-NEPJUHHUSA-N 1 0 339.823 3.098 20 5 EGBDRO [NH3+]C[C@H](Nc1ncc([N+](=O)[O-])cc1Br)C1CCCCC1 ZINC000155846902 1294115839 /nfs/dbraw/zinc/11/58/39/1294115839.db2.gz DNTYXBOQGIWZKY-LBPRGKRZSA-N 1 0 343.225 3.072 20 5 EGBDRO Cc1c([C@H](C)[NH2+]CCN(C)C(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC000158666946 1294211073 /nfs/dbraw/zinc/21/10/73/1294211073.db2.gz WOUWPTFKBCJCGG-ZDUSSCGKSA-N 1 0 337.420 3.421 20 5 EGBDRO CC[N@H+](C)Cc1cccc(CNC(=O)c2cc(F)ccc2[N+](=O)[O-])c1 ZINC000160924934 1294281156 /nfs/dbraw/zinc/28/11/56/1294281156.db2.gz GXPSZKMAUSVRGY-UHFFFAOYSA-N 1 0 345.374 3.116 20 5 EGBDRO CC[C@@]1(C)CCC[N@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000173425324 1294461554 /nfs/dbraw/zinc/46/15/54/1294461554.db2.gz UCWXOFJDBPVTAO-KRWDZBQOSA-N 1 0 329.404 3.323 20 5 EGBDRO C[N@H+](CCc1cccs1)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000173407665 1294461664 /nfs/dbraw/zinc/46/16/64/1294461664.db2.gz PNKGNVYHOLOQLR-UHFFFAOYSA-N 1 0 343.412 3.047 20 5 EGBDRO O=[N+]([O-])c1ccc2c(cnn2C[N@@H+]2CCS[C@@H]3CCCC[C@@H]32)c1 ZINC000176826654 1294635810 /nfs/dbraw/zinc/63/58/10/1294635810.db2.gz POLCMZIJOTWJET-JKSUJKDBSA-N 1 0 332.429 3.262 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCCC1CC[NH+](C(C)C)CC1 ZINC000870954982 1296153232 /nfs/dbraw/zinc/15/32/32/1296153232.db2.gz LYAOTUHNWFMYBV-UHFFFAOYSA-N 1 0 333.432 3.144 20 5 EGBDRO CC(C)[NH+]1CCC(CCNC(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000870957914 1296154678 /nfs/dbraw/zinc/15/46/78/1296154678.db2.gz YNODBNYHMNESOR-UHFFFAOYSA-N 1 0 347.459 3.154 20 5 EGBDRO C[C@H]1OCC[C@]1(C)[NH2+]Cc1ccc([N+](=O)[O-])cc1Br ZINC000235652910 1296186548 /nfs/dbraw/zinc/18/65/48/1296186548.db2.gz VAZNSVYRUFTDDK-RNCFNFMXSA-N 1 0 329.194 3.014 20 5 EGBDRO O=[N+]([O-])c1ccc2c(cnn2C[N@@H+]2CCS[C@@H]3CCCC[C@H]32)c1 ZINC000245894676 1296329289 /nfs/dbraw/zinc/32/92/89/1296329289.db2.gz POLCMZIJOTWJET-HZPDHXFCSA-N 1 0 332.429 3.262 20 5 EGBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000245971895 1296333797 /nfs/dbraw/zinc/33/37/97/1296333797.db2.gz WLYJYHWWWDFLES-NWDGAFQWSA-N 1 0 339.823 3.098 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@@H](Cc3ccc(F)cc3)C2)c1 ZINC000246364019 1296350486 /nfs/dbraw/zinc/35/04/86/1296350486.db2.gz XSCIMGQPAUHBTB-HNAYVOBHSA-N 1 0 344.386 3.332 20 5 EGBDRO CCc1ccc(-c2nc(C3C[C@H]4CC[C@@H](C3)[NH2+]4)no2)cc1[N+](=O)[O-] ZINC000871796404 1296537763 /nfs/dbraw/zinc/53/77/63/1296537763.db2.gz SRZKZBTYFFSYQW-AGUYFDCRSA-N 1 0 328.372 3.205 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1-c1nc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)no1 ZINC000871801352 1296542716 /nfs/dbraw/zinc/54/27/16/1296542716.db2.gz QQQVOYUSSYITGK-YHWZYXNKSA-N 1 0 328.372 3.260 20 5 EGBDRO Cc1c(C[NH2+]C2CC(NC(=O)OC(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000301962795 1296795674 /nfs/dbraw/zinc/79/56/74/1296795674.db2.gz LQHJNXNAAAUPSX-UHFFFAOYSA-N 1 0 335.404 3.049 20 5 EGBDRO CC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)C(=O)NCc1cccs1 ZINC000873134331 1297290565 /nfs/dbraw/zinc/29/05/65/1297290565.db2.gz PAXNGPKMSDMXNH-HNNXBMFYSA-N 1 0 347.440 3.149 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2nc(CN[C@]34CCC[C@H]3[NH2+]CC4)cs2)c1 ZINC000873230938 1297373686 /nfs/dbraw/zinc/37/36/86/1297373686.db2.gz ACIAYSVICBTUBD-WBVHZDCISA-N 1 0 344.440 3.093 20 5 EGBDRO Cn1ccnc1[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000444793429 1297860499 /nfs/dbraw/zinc/86/04/99/1297860499.db2.gz HIQQRYXYZWBCPC-CYBMUJFWSA-N 1 0 334.807 3.361 20 5 EGBDRO CCC[N@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)CC(C)(C)O ZINC000689904150 1298128759 /nfs/dbraw/zinc/12/87/59/1298128759.db2.gz OASRGANXIIOTQM-UHFFFAOYSA-N 1 0 345.237 3.340 20 5 EGBDRO CC(C)(C)OC(=O)N1CC[C@@](C)([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000701919543 1298191707 /nfs/dbraw/zinc/19/17/07/1298191707.db2.gz KAYSYWIEIAHBTC-QGZVFWFLSA-N 1 0 335.404 3.084 20 5 EGBDRO C[C@@H]([NH2+]C[C@@H]1CCN1C(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000724951108 1298351682 /nfs/dbraw/zinc/35/16/82/1298351682.db2.gz AESFQZBDNXURQX-DOMZBBRYSA-N 1 0 335.404 3.255 20 5 EGBDRO O=[N+]([O-])c1c(NC2CC[NH+](C3CCCCC3)CC2)nc2ccccn21 ZINC000747225751 1298745434 /nfs/dbraw/zinc/74/54/34/1298745434.db2.gz HTJXUCMCLBLTTR-UHFFFAOYSA-N 1 0 343.431 3.452 20 5 EGBDRO O=C(OCCC[NH+]1CCCCC1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000747759082 1298856426 /nfs/dbraw/zinc/85/64/26/1298856426.db2.gz XGONMIJILAQTAJ-UHFFFAOYSA-N 1 0 331.372 3.109 20 5 EGBDRO C[C@H](CNC(=O)c1cccc(Cl)c1[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC000749912941 1299298524 /nfs/dbraw/zinc/29/85/24/1299298524.db2.gz XIOJEKSWARWILJ-VXGBXAGGSA-N 1 0 339.823 3.241 20 5 EGBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2c1nc2ccc([N+](=O)[O-])cc2s1 ZINC000751232750 1299526420 /nfs/dbraw/zinc/52/64/20/1299526420.db2.gz BRTVDHCANHMAFQ-YPMHNXCESA-N 1 0 332.429 3.268 20 5 EGBDRO C[C@@H]1CCC[C@H](C)[N@H+](CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)C1 ZINC000752791419 1299795837 /nfs/dbraw/zinc/79/58/37/1299795837.db2.gz FKSOSNRVIUGQSR-CABCVRRESA-N 1 0 346.431 3.305 20 5 EGBDRO C[C@H](O)C[C@@H]1CCCN1Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000752812295 1299798800 /nfs/dbraw/zinc/79/88/00/1299798800.db2.gz MXFCJAJRWJPAAB-QWRGUYRKSA-N 1 0 337.401 3.065 20 5 EGBDRO C[C@@H]1CC[N@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)CCS1 ZINC000754873481 1300235969 /nfs/dbraw/zinc/23/59/69/1300235969.db2.gz UKQVNLAWMSLMQE-CYBMUJFWSA-N 1 0 332.429 3.243 20 5 EGBDRO CC[N@H+](CCC1CC1)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000760890642 1301357518 /nfs/dbraw/zinc/35/75/18/1301357518.db2.gz XVQKSCLTCNNJHE-UHFFFAOYSA-N 1 0 325.796 3.309 20 5 EGBDRO COCCC(C)(C)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000760895804 1301359061 /nfs/dbraw/zinc/35/90/61/1301359061.db2.gz XZIYGXUZXIMPPI-UHFFFAOYSA-N 1 0 335.448 3.216 20 5 EGBDRO O=[N+]([O-])c1c(F)nccc1NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000881751250 1301711094 /nfs/dbraw/zinc/71/10/94/1301711094.db2.gz FCTZPYHGYAZXDV-CYBMUJFWSA-N 1 0 334.351 3.361 20 5 EGBDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2ccnc(F)c2[N+](=O)[O-])C1 ZINC000881983009 1301772196 /nfs/dbraw/zinc/77/21/96/1301772196.db2.gz PKYGIUOCIQDYJV-KBPBESRZSA-N 1 0 336.411 3.220 20 5 EGBDRO C[N@@H+]1CCCC[C@H]1CCOC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000762897068 1301779890 /nfs/dbraw/zinc/77/98/90/1301779890.db2.gz HYXQJFUSIBOZPR-LBPRGKRZSA-N 1 0 331.372 3.107 20 5 EGBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)c1F ZINC000764541935 1302084768 /nfs/dbraw/zinc/08/47/68/1302084768.db2.gz SFVATRPNTDGWIQ-AWEZNQCLSA-N 1 0 339.411 3.139 20 5 EGBDRO Cc1c([C@@H](C)[NH2+]CCNC(=O)c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000765312131 1302244434 /nfs/dbraw/zinc/24/44/34/1302244434.db2.gz WSWXVMILCNPWJB-CYBMUJFWSA-N 1 0 345.374 3.123 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(N2CCC[N@H+](Cc3ccccc3C)CC2)n1 ZINC000765466665 1302268525 /nfs/dbraw/zinc/26/85/25/1302268525.db2.gz GHOHXWYZMOWXPY-UHFFFAOYSA-N 1 0 340.427 3.319 20 5 EGBDRO C[N@@H+]1CCC[C@@H]2CN(c3nc4ccc([N+](=O)[O-])cc4s3)CC[C@H]21 ZINC000765547129 1302281992 /nfs/dbraw/zinc/28/19/92/1302281992.db2.gz ZTYSSDQVLVGBFX-BXUZGUMPSA-N 1 0 332.429 3.125 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H](Cc2ccccc2)C2CC2)cc1 ZINC000765845208 1302338435 /nfs/dbraw/zinc/33/84/35/1302338435.db2.gz NNEKMLIAAYIUCJ-OALUTQOASA-N 1 0 326.396 3.239 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2CCSc3ccccc32)cc1 ZINC000765846177 1302338840 /nfs/dbraw/zinc/33/88/40/1302338840.db2.gz UNZWCWOVXUZXSS-HZPDHXFCSA-N 1 0 330.409 3.455 20 5 EGBDRO CC[C@@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1OC ZINC000765850274 1302340450 /nfs/dbraw/zinc/34/04/50/1302340450.db2.gz WROSCSRRENJMSE-SJORKVTESA-N 1 0 330.384 3.378 20 5 EGBDRO COc1cccc([C@H](O)C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000765910342 1302347857 /nfs/dbraw/zinc/34/78/57/1302347857.db2.gz NFWZCPHHWKKJJW-SCLBCKFNSA-N 1 0 330.384 3.296 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CC3(CCO)CCCC3)CC2)cc1 ZINC000766373060 1302440340 /nfs/dbraw/zinc/44/03/40/1302440340.db2.gz FQXJEGIPBUBVKY-UHFFFAOYSA-N 1 0 347.459 3.096 20 5 EGBDRO COCc1ccc([C@@H]2CCC[N@@H+]2C[C@@H](O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000767936154 1302788149 /nfs/dbraw/zinc/78/81/49/1302788149.db2.gz ZYKADNKXDQHMKG-DLBZAZTESA-N 1 0 346.383 3.205 20 5 EGBDRO COCc1ccc([C@H]2CCC[N@@H+]2C[C@@H](O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000767936155 1302788393 /nfs/dbraw/zinc/78/83/93/1302788393.db2.gz ZYKADNKXDQHMKG-IAGOWNOFSA-N 1 0 346.383 3.205 20 5 EGBDRO O[C@@H]1C[N@@H+](Cc2c3ccccc3c(Cl)c3ccccc32)C[C@@H]1O ZINC000769452668 1303115988 /nfs/dbraw/zinc/11/59/88/1303115988.db2.gz XTNRUWCPERGVDB-HDICACEKSA-N 1 0 327.811 3.184 20 5 EGBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000770017044 1303208519 /nfs/dbraw/zinc/20/85/19/1303208519.db2.gz SOGODJLYDNWWCM-NSHDSACASA-N 1 0 340.811 3.244 20 5 EGBDRO O=[N+]([O-])c1ncccc1CN1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000885986168 1303310147 /nfs/dbraw/zinc/31/01/47/1303310147.db2.gz ZZLVZMKXAHACAX-MRXNPFEDSA-N 1 0 332.448 3.078 20 5 EGBDRO O=[N+]([O-])c1ncccc1C[N@@H+](Cc1ccccc1)CC1CCOCC1 ZINC000886005766 1303316040 /nfs/dbraw/zinc/31/60/40/1303316040.db2.gz JRPWXDWGNUTOGB-UHFFFAOYSA-N 1 0 341.411 3.419 20 5 EGBDRO CC[NH+](CC)CCN(Cc1cccs1)Cc1cccnc1[N+](=O)[O-] ZINC000886037531 1303328878 /nfs/dbraw/zinc/32/88/78/1303328878.db2.gz LXIYWFYCAPGEAO-UHFFFAOYSA-N 1 0 348.472 3.395 20 5 EGBDRO O=[N+]([O-])c1ncccc1C[NH2+][C@@H](c1ccccc1)C1(CO)CCCC1 ZINC000886238739 1303409053 /nfs/dbraw/zinc/40/90/53/1303409053.db2.gz HERBZHCLEIGWOI-KRWDZBQOSA-N 1 0 341.411 3.373 20 5 EGBDRO Cc1nc(C2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)[nH]c1C ZINC000886666709 1303546957 /nfs/dbraw/zinc/54/69/57/1303546957.db2.gz YMOBYEFCBSXWQG-UHFFFAOYSA-N 1 0 328.416 3.357 20 5 EGBDRO COCC1(C)CC[NH+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)CC1 ZINC000773269474 1303652647 /nfs/dbraw/zinc/65/26/47/1303652647.db2.gz PEWFZKNHGORFNN-UHFFFAOYSA-N 1 0 344.415 3.164 20 5 EGBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1cccc(C[NH+](C)C)c1)CC2 ZINC000773988914 1303761116 /nfs/dbraw/zinc/76/11/16/1303761116.db2.gz RQQBVUBTVDXGCP-UHFFFAOYSA-N 1 0 339.395 3.168 20 5 EGBDRO Cc1ccc(C[NH2+]C[C@H]2COC3(CCCCCC3)O2)cc1[N+](=O)[O-] ZINC000776959694 1304223979 /nfs/dbraw/zinc/22/39/79/1304223979.db2.gz SUQBGTSAKGUQCT-INIZCTEOSA-N 1 0 334.416 3.459 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2COC3(CCCC3)O2)cc1Cl ZINC000783653081 1305123314 /nfs/dbraw/zinc/12/33/14/1305123314.db2.gz WDNHELCPDPPCAB-GFCCVEGCSA-N 1 0 326.780 3.024 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3C[C@@H]4C[C@]4(CO)C3)s2)cc1 ZINC000783734172 1305135877 /nfs/dbraw/zinc/13/58/77/1305135877.db2.gz JRJHCSKAVMQSOH-SUMWQHHRSA-N 1 0 330.409 3.138 20 5 EGBDRO C[C@H]1C[C@H](CCNc2c([N+](=O)[O-])cnn2C)C[N@@H+]1Cc1ccccc1 ZINC000892956967 1305625887 /nfs/dbraw/zinc/62/58/87/1305625887.db2.gz ZPRNVFGABBBLED-HOCLYGCPSA-N 1 0 343.431 3.041 20 5 EGBDRO COc1cccc([C@H](O)C[NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)c1 ZINC000786815382 1305634604 /nfs/dbraw/zinc/63/46/04/1305634604.db2.gz SFQYPVLZSKMIFW-CECLQJIQSA-N 1 0 342.395 3.330 20 5 EGBDRO O=C(OCc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000786883307 1305648350 /nfs/dbraw/zinc/64/83/50/1305648350.db2.gz PSVPAMUEEIYEJS-INIZCTEOSA-N 1 0 336.363 3.184 20 5 EGBDRO CCOC(=O)N[C@@H]1CCC[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000787406166 1305741547 /nfs/dbraw/zinc/74/15/47/1305741547.db2.gz GKEPSJURKVLCQQ-HFQYIWAZSA-N 1 0 347.415 3.209 20 5 EGBDRO CCN(CCC[NH+](CC)CC)c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000788077276 1305861272 /nfs/dbraw/zinc/86/12/72/1305861272.db2.gz KLISGSPVTDMFMR-UHFFFAOYSA-N 1 0 348.447 3.038 20 5 EGBDRO C[C@H]([NH2+]C[C@@H](C1CCCCC1)N(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788540431 1305965290 /nfs/dbraw/zinc/96/52/90/1305965290.db2.gz RGGHTZIJUSWUBZ-UGSOOPFHSA-N 1 0 334.464 3.338 20 5 EGBDRO COc1c(O)ccc(CN2C[C@@H](C)C[C@H]2c2cccnc2)c1[N+](=O)[O-] ZINC000893573071 1305974218 /nfs/dbraw/zinc/97/42/18/1305974218.db2.gz WAOUJNSRBKJCBJ-WFASDCNBSA-N 1 0 343.383 3.287 20 5 EGBDRO COc1ccc(O[C@@H](C)C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000788609741 1305982975 /nfs/dbraw/zinc/98/29/75/1305982975.db2.gz IFHXUABWSACVSN-QWHCGFSZSA-N 1 0 345.399 3.304 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2cnn(C[N@@H+]3CCC[C@@H]3[C@H]3CCCO3)c2)c1 ZINC000789508544 1306175876 /nfs/dbraw/zinc/17/58/76/1306175876.db2.gz RGJBDDVUNWCJCI-QZTJIDSGSA-N 1 0 342.399 3.059 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C[C@@H](O)Cc1cccc(F)c1 ZINC000894661266 1309009413 /nfs/dbraw/zinc/00/94/13/1309009413.db2.gz NDYIFDNKTLPNRK-HNNXBMFYSA-N 1 0 338.766 3.081 20 5 EGBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)OCCC[NH+](C)C ZINC000792090064 1309120267 /nfs/dbraw/zinc/12/02/67/1309120267.db2.gz VLGZNTORFXKRLE-UHFFFAOYSA-N 1 0 326.418 3.204 20 5 EGBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cn1ccc(-c2nccs2)n1 ZINC000795643235 1309797127 /nfs/dbraw/zinc/79/71/27/1309797127.db2.gz ATXBJSAODVQFHQ-UHFFFAOYSA-N 1 0 343.412 3.047 20 5 EGBDRO C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](CC(N)=O)c1ccccc1 ZINC000796532659 1310022251 /nfs/dbraw/zinc/02/22/51/1310022251.db2.gz QHWDDBPLBYTWOW-OAHLLOKOSA-N 1 0 347.802 3.297 20 5 EGBDRO Cc1cc(CN2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc(Cl)n1 ZINC000797590152 1310214781 /nfs/dbraw/zinc/21/47/81/1310214781.db2.gz ZREWXPCSAACMNZ-UHFFFAOYSA-N 1 0 346.818 3.274 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H](CCO)Cc1ccccc1 ZINC000799351431 1310534560 /nfs/dbraw/zinc/53/45/60/1310534560.db2.gz PBVTUMZJEVEYRX-OPUMOTSWSA-N 1 0 326.396 3.191 20 5 EGBDRO COc1c(O)ccc(C[NH2+]CC2(OC)CCCCCC2)c1[N+](=O)[O-] ZINC000898260475 1310650614 /nfs/dbraw/zinc/65/06/14/1310650614.db2.gz FTPBSTMGDMJIHO-UHFFFAOYSA-N 1 0 338.404 3.138 20 5 EGBDRO O=C(OCCC[NH+]1CCCCC1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000800191292 1310696859 /nfs/dbraw/zinc/69/68/59/1310696859.db2.gz YZPUJIPECWUBKT-UHFFFAOYSA-N 1 0 326.780 3.281 20 5 EGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CCOC1CCSCC1 ZINC000898442482 1310738015 /nfs/dbraw/zinc/73/80/15/1310738015.db2.gz NXTKUSZJDMQWQH-UHFFFAOYSA-N 1 0 330.837 3.250 20 5 EGBDRO CCOC(=O)CC[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000801523564 1310953871 /nfs/dbraw/zinc/95/38/71/1310953871.db2.gz DJGKGFMBTDFWPZ-ZDUSSCGKSA-N 1 0 338.379 3.289 20 5 EGBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1ccc([S@](C)=O)cc1 ZINC000801533351 1310958743 /nfs/dbraw/zinc/95/87/43/1310958743.db2.gz LIVVUVKVRDTNDU-RULNZOCKSA-N 1 0 336.388 3.322 20 5 EGBDRO CCOC(=O)C[C@](C)([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)C(C)C ZINC000801544652 1310962644 /nfs/dbraw/zinc/96/26/44/1310962644.db2.gz QMKDDGKRGYCZCF-INIZCTEOSA-N 1 0 326.368 3.191 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@H](OC(=O)N(C)C)C1 ZINC000824616230 1320271038 /nfs/dbraw/zinc/27/10/38/1320271038.db2.gz TYRQDLLSNXHIRG-QXSWTLKVSA-N 1 0 347.415 3.161 20 5 EGBDRO CCCC[N@H+](C)CCNC(=O)c1cc(Cl)c(C)cc1[N+](=O)[O-] ZINC000836690417 1320521896 /nfs/dbraw/zinc/52/18/96/1320521896.db2.gz QRQUNXLLLNBHBT-UHFFFAOYSA-N 1 0 327.812 3.018 20 5 EGBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000838764378 1320814061 /nfs/dbraw/zinc/81/40/61/1320814061.db2.gz DFHJEMKTAWNRNS-NSHDSACASA-N 1 0 340.811 3.102 20 5 EGBDRO O=[N+]([O-])c1ccc(Cl)cc1NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000804349225 1317222441 /nfs/dbraw/zinc/22/24/41/1317222441.db2.gz KYPJDWRMXIQLSC-AWEZNQCLSA-N 1 0 339.823 3.304 20 5 EGBDRO CN(CCC[N@H+](C)Cc1ccco1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000804840786 1317292737 /nfs/dbraw/zinc/29/27/37/1317292737.db2.gz KIZQZMJYXMEENF-UHFFFAOYSA-N 1 0 348.359 3.054 20 5 EGBDRO COc1ccc(C[NH2+][C@@H]2CCc3nc(Cl)ccc32)cc1[N+](=O)[O-] ZINC000806133890 1317463288 /nfs/dbraw/zinc/46/32/88/1317463288.db2.gz DTNVQZCUAAJOMW-GFCCVEGCSA-N 1 0 333.775 3.429 20 5 EGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]Cc2nc3c(s2)CCC3)n1 ZINC000903191468 1317670310 /nfs/dbraw/zinc/67/03/10/1317670310.db2.gz XNMAVWAOMLCBNE-DGCLKSJQSA-N 1 0 347.444 3.010 20 5 EGBDRO O=[N+]([O-])CC[NH+]1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 ZINC000929837392 1328717110 /nfs/dbraw/zinc/71/71/10/1328717110.db2.gz VKSVBWWKUNPFNK-UHFFFAOYSA-N 1 0 333.215 3.251 20 5 EGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@H]2CCCN2CC(F)F)c1 ZINC000858231955 1328717924 /nfs/dbraw/zinc/71/79/24/1328717924.db2.gz RGHRVXMARCBBQB-GFCCVEGCSA-N 1 0 333.766 3.067 20 5 EGBDRO C[NH+](C)CCN(CCc1ccccc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000809731515 1317881640 /nfs/dbraw/zinc/88/16/40/1317881640.db2.gz ZHXPVVACECTMOR-UHFFFAOYSA-N 1 0 327.428 3.201 20 5 EGBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000809868918 1317912262 /nfs/dbraw/zinc/91/22/62/1317912262.db2.gz BWVLYPSSEZLRAO-LLVKDONJSA-N 1 0 342.827 3.490 20 5 EGBDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809970402 1317927354 /nfs/dbraw/zinc/92/73/54/1317927354.db2.gz XTEFMMVSCWMPDV-VHSXEESVSA-N 1 0 332.231 3.426 20 5 EGBDRO CSc1ccc([N+](=O)[O-])c(C(=O)O[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000810837087 1318061806 /nfs/dbraw/zinc/06/18/06/1318061806.db2.gz FJXJQGHHTBHPKK-RYUDHWBXSA-N 1 0 336.413 3.100 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)c1C ZINC000908356847 1318330169 /nfs/dbraw/zinc/33/01/69/1318330169.db2.gz CCGPYZMEMGRZLS-CYBMUJFWSA-N 1 0 345.443 3.158 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC1CCC2(CC1)CC[NH+](C)CC2 ZINC000908494868 1318353472 /nfs/dbraw/zinc/35/34/72/1318353472.db2.gz PIXJAJQCMLAWQW-UHFFFAOYSA-N 1 0 345.443 3.288 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@@H]2O)cc1 ZINC000812841259 1318469473 /nfs/dbraw/zinc/46/94/73/1318469473.db2.gz OHFONBFZVKNYPJ-ZSYWTGECSA-N 1 0 348.443 3.034 20 5 EGBDRO Cc1cc(C[NH+](C)C)ccc1NC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000909601766 1318499424 /nfs/dbraw/zinc/49/94/24/1318499424.db2.gz RLADAYFADYTCSZ-UHFFFAOYSA-N 1 0 345.374 3.285 20 5 EGBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[N@H+](CC)C[C@H]1C ZINC000910282277 1318595964 /nfs/dbraw/zinc/59/59/64/1318595964.db2.gz GUGXJZZIYLONMC-NVXWUHKLSA-N 1 0 347.459 3.106 20 5 EGBDRO Cc1ccccc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001021788214 1318684320 /nfs/dbraw/zinc/68/43/20/1318684320.db2.gz XNAQHPPXIZMNBL-OKILXGFUSA-N 1 0 345.424 3.015 20 5 EGBDRO Cc1csc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccccc3[N+](=O)[O-])C2)c1 ZINC001022049770 1318781585 /nfs/dbraw/zinc/78/15/85/1318781585.db2.gz FDCLDYUZBIUPPP-OKILXGFUSA-N 1 0 345.424 3.015 20 5 EGBDRO COc1cccc(CC[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1OC ZINC000815561345 1319016225 /nfs/dbraw/zinc/01/62/25/1319016225.db2.gz DYNRSSRTFFDVOZ-GFCCVEGCSA-N 1 0 345.399 3.088 20 5 EGBDRO Cc1cccc2c1OC[C@@H]([NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)C2 ZINC000815628205 1319031617 /nfs/dbraw/zinc/03/16/17/1319031617.db2.gz UMTFGUUSUPYAOW-DOMZBBRYSA-N 1 0 327.384 3.140 20 5 EGBDRO COc1ccc([C@H](Cc2ccccc2C)[NH2+]CC[N+](=O)[O-])cc1OC ZINC000930210994 1328812974 /nfs/dbraw/zinc/81/29/74/1328812974.db2.gz RJZYTOLPZXZRSQ-KRWDZBQOSA-N 1 0 344.411 3.162 20 5 EGBDRO Cc1cccc(C)c1OC[C@H](C)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000818974665 1319599810 /nfs/dbraw/zinc/59/98/10/1319599810.db2.gz OIIYMIPNSYMJQU-YJBOKZPZSA-N 1 0 344.411 3.302 20 5 EGBDRO Cc1ccccc1C1(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000819002048 1319611372 /nfs/dbraw/zinc/61/13/72/1319611372.db2.gz HNJAJLUWOBKDSK-GOSISDBHSA-N 1 0 326.396 3.258 20 5 EGBDRO CC(C)(C)[C@@H]1OCCC[C@@H]1C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819082280 1319631312 /nfs/dbraw/zinc/63/13/12/1319631312.db2.gz WMXRZJUAUPDARI-HYVNUMGLSA-N 1 0 336.432 3.059 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](O)CNC2CC[NH+](C3CCCCC3)CC2)c1 ZINC000819128951 1319642890 /nfs/dbraw/zinc/64/28/90/1319642890.db2.gz VLRMPCHCLPNPKX-IBGZPJMESA-N 1 0 347.459 3.015 20 5 EGBDRO CC[C@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)Oc1cccc(C)c1 ZINC000819136553 1319644718 /nfs/dbraw/zinc/64/47/18/1319644718.db2.gz KSRJWFBKWKOPJJ-MJGOQNOKSA-N 1 0 344.411 3.384 20 5 EGBDRO O=[N+]([O-])c1cccc(CC[NH2+]C[C@H](O)c2ccc(F)cc2Cl)c1 ZINC000819189612 1319661604 /nfs/dbraw/zinc/66/16/04/1319661604.db2.gz CQAPAYFWMWYTHI-INIZCTEOSA-N 1 0 338.766 3.253 20 5 EGBDRO CCC(CC)[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000819214459 1319671392 /nfs/dbraw/zinc/67/13/92/1319671392.db2.gz ROZNKAKHVUHPAP-NXHRZFHOSA-N 1 0 336.432 3.202 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2C[C@H]2c2cccc(Cl)c2)cc1 ZINC000819281385 1319688317 /nfs/dbraw/zinc/68/83/17/1319688317.db2.gz JBUNMKZHFOQCGC-GVDBMIGSSA-N 1 0 332.787 3.427 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000820166186 1319844282 /nfs/dbraw/zinc/84/42/82/1319844282.db2.gz RGKDJZDLUCVZFY-UHFFFAOYSA-N 1 0 345.443 3.302 20 5 EGBDRO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C[C@@](C)(O)c1ccccc1 ZINC000822517449 1320093480 /nfs/dbraw/zinc/09/34/80/1320093480.db2.gz XSXOZBIOFKKYEU-IBHIWXBSSA-N 1 0 326.396 3.448 20 5 EGBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)C[C@H]1C ZINC000827573648 1320460669 /nfs/dbraw/zinc/46/06/69/1320460669.db2.gz MYVPDMISZRGOKS-NEPJUHHUSA-N 1 0 339.823 3.111 20 5 EGBDRO CC(C)[N@@H+]1CCCC[C@H]1COC(=O)c1c(F)ccc([N+](=O)[O-])c1F ZINC000837565589 1320644292 /nfs/dbraw/zinc/64/42/92/1320644292.db2.gz DQERZNJWLDKVFR-NSHDSACASA-N 1 0 342.342 3.293 20 5 EGBDRO CC(C)O[C@H]1C[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000839147697 1320880133 /nfs/dbraw/zinc/88/01/33/1320880133.db2.gz OEVYRXHEIKPVJF-RHNCMZPLSA-N 1 0 333.432 3.109 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H]2CCCN(Cc3noc4c3COCC4)C2)cc1 ZINC000930636532 1328921470 /nfs/dbraw/zinc/92/14/70/1328921470.db2.gz HDDGGLQWXDIBPK-AWEZNQCLSA-N 1 0 343.383 3.035 20 5 EGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCSC3(CCC3)CC2)c([N+](=O)[O-])c1 ZINC000839624156 1320946191 /nfs/dbraw/zinc/94/61/91/1320946191.db2.gz AOGCBGMMNYVCCI-UHFFFAOYSA-N 1 0 337.401 3.365 20 5 EGBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@@H](C)[N@H+]1[C@H](C)CC[C@@H]1C)CC2 ZINC000840409294 1321087430 /nfs/dbraw/zinc/08/74/30/1321087430.db2.gz IILZFLXZTPEAJZ-HZSPNIEDSA-N 1 0 331.416 3.054 20 5 EGBDRO COCC1CCC([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000840881929 1321169758 /nfs/dbraw/zinc/16/97/58/1321169758.db2.gz QJMIXHDMISPUPY-UHFFFAOYSA-N 1 0 347.459 3.358 20 5 EGBDRO CC(C)(C)[S@@](=O)CC[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000841765215 1321309260 /nfs/dbraw/zinc/30/92/60/1321309260.db2.gz VKNVOHWAMVBPQP-MWTRTKDXSA-N 1 0 338.473 3.499 20 5 EGBDRO CN(Cc1ccc(C[NH+](C)C)cc1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000859213026 1328947164 /nfs/dbraw/zinc/94/71/64/1328947164.db2.gz LIPHEJKRWUEZOM-UHFFFAOYSA-N 1 0 331.391 3.428 20 5 EGBDRO CC[C@@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@H]1CC1(C)C ZINC000842165006 1321356374 /nfs/dbraw/zinc/35/63/74/1321356374.db2.gz ZLKQTWUIMKZJNH-TZMCWYRMSA-N 1 0 337.395 3.477 20 5 EGBDRO C[NH2+]C[C@@H](C)c1noc(-c2csc(-c3ccc([N+](=O)[O-])cc3)n2)n1 ZINC000842580687 1321403715 /nfs/dbraw/zinc/40/37/15/1321403715.db2.gz IADLDFRXLXULNE-SECBINFHSA-N 1 0 345.384 3.091 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCCCC2)c(-c2nc([C@H]3CCC[NH2+]3)no2)c1 ZINC000842643843 1321412168 /nfs/dbraw/zinc/41/21/68/1321412168.db2.gz ANSZIMDLMOJHBK-CQSZACIVSA-N 1 0 343.387 3.060 20 5 EGBDRO CC(C)[N@@H+]1CCC[C@@H](COC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000842830873 1321438378 /nfs/dbraw/zinc/43/83/78/1321438378.db2.gz YVUCRTUKGGABDF-FHLIZLRMSA-N 1 0 346.427 3.362 20 5 EGBDRO C[C@H](CNC(=O)OC(C)(C)C)C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000848534952 1321970779 /nfs/dbraw/zinc/97/07/79/1321970779.db2.gz BMXQXOXPAAXELM-WFASDCNBSA-N 1 0 349.431 3.333 20 5 EGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1COC2(CCCCC2)O1 ZINC000848537839 1321972057 /nfs/dbraw/zinc/97/20/57/1321972057.db2.gz OQKDLJIVWVELEJ-CJNGLKHVSA-N 1 0 332.400 3.248 20 5 EGBDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000920471843 1322181713 /nfs/dbraw/zinc/18/17/13/1322181713.db2.gz LUZWFGYRYDRMEM-CKDIWJPDSA-N 1 0 345.443 3.379 20 5 EGBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2Cl)C[C@H]1C ZINC000859528390 1329008836 /nfs/dbraw/zinc/00/88/36/1329008836.db2.gz OFDHUUKNMWFANJ-VXGBXAGGSA-N 1 0 339.823 3.193 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](CO)c2ccccc2C(F)(F)F)cc1 ZINC000922983624 1322668799 /nfs/dbraw/zinc/66/87/99/1322668799.db2.gz BHVPVHPFFISVKL-OAHLLOKOSA-N 1 0 340.301 3.437 20 5 EGBDRO Cc1noc(C[N@@H+]2CCCCC[C@@H]2C[C@H](O)c2ccco2)c1[N+](=O)[O-] ZINC000851810201 1323094418 /nfs/dbraw/zinc/09/44/18/1323094418.db2.gz YOQBMYMDCODCPO-KGLIPLIRSA-N 1 0 349.387 3.353 20 5 EGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](c3ccccc3)[C@H](CO)C2)cc1F ZINC000852520629 1323203639 /nfs/dbraw/zinc/20/36/39/1323203639.db2.gz KSVQHZRZSATNIV-DLBZAZTESA-N 1 0 344.386 3.332 20 5 EGBDRO C[N@@H+]1CC[C@@H]2CN(Cc3cc(Cl)cc(Cl)c3[N+](=O)[O-])C[C@@H]2C1 ZINC000931436589 1329117607 /nfs/dbraw/zinc/11/76/07/1329117607.db2.gz IOUBOPQIWNVGIU-PWSUYJOCSA-N 1 0 344.242 3.285 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](c1cnn(C)c1)C(C)C ZINC000927065553 1327838006 /nfs/dbraw/zinc/83/80/06/1327838006.db2.gz GCEICICSILYFBF-SJCJKPOMSA-N 1 0 332.404 3.385 20 5 EGBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000929119168 1328510284 /nfs/dbraw/zinc/51/02/84/1328510284.db2.gz AYMOPZCMDMEBGG-AWEZNQCLSA-N 1 0 334.420 3.099 20 5 EGBDRO C[C@@H]([NH3+])CN(C)Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000863651457 1329570502 /nfs/dbraw/zinc/57/05/02/1329570502.db2.gz JGPKLJNJZHYCGT-GFCCVEGCSA-N 1 0 333.363 3.305 20 5 EGBDRO C[NH+](C)[C@H](CNc1cc(F)c([N+](=O)[O-])cc1CO)c1cccs1 ZINC000865407503 1329692895 /nfs/dbraw/zinc/69/28/95/1329692895.db2.gz YEZRJLRUGWHECJ-CQSZACIVSA-N 1 0 339.392 3.003 20 5 EGBDRO CCc1ccccc1NC(=O)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000932181853 1329791594 /nfs/dbraw/zinc/79/15/94/1329791594.db2.gz FUNPUGAHIIAYBF-CYBMUJFWSA-N 1 0 327.384 3.447 20 5 EGBDRO Cc1nc(CC2CC[NH+]([C@@H](C)c3ccccc3[N+](=O)[O-])CC2)no1 ZINC000932243511 1329799630 /nfs/dbraw/zinc/79/96/30/1329799630.db2.gz BMQUOSGXTRKAMD-LBPRGKRZSA-N 1 0 330.388 3.302 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H]1[C@H](C)c1ccccc1 ZINC000932275563 1329802904 /nfs/dbraw/zinc/80/29/04/1329802904.db2.gz PMPIUVXNKOLJEY-RHSMWYFYSA-N 1 0 328.416 3.368 20 5 EGBDRO O=C(CC[NH2+][C@H](c1ccccn1)C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000932381306 1329810515 /nfs/dbraw/zinc/81/05/15/1329810515.db2.gz MYRSNGLCKDKWOR-SFHVURJKSA-N 1 0 340.383 3.059 20 5 EGBDRO C[NH+]1CCC2(CCN(c3nccc4ccc([N+](=O)[O-])cc43)CC2)CC1 ZINC000866054850 1330060404 /nfs/dbraw/zinc/06/04/04/1330060404.db2.gz JRFZDQKVVMFNLN-UHFFFAOYSA-N 1 0 340.427 3.455 20 5 EGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC000866224317 1330080430 /nfs/dbraw/zinc/08/04/30/1330080430.db2.gz ZBZQYPDFMJEUGX-APPDUMDISA-N 1 0 336.338 3.127 20 5 EGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CCCc2c1cnn2C ZINC000866228460 1330081148 /nfs/dbraw/zinc/08/11/48/1330081148.db2.gz HNGJAAOAKMCBIB-XHDPSFHLSA-N 1 0 332.379 3.066 20 5 EGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H]1CSCCS1 ZINC000866279712 1330089956 /nfs/dbraw/zinc/08/99/56/1330089956.db2.gz BZSRGBRTWSIFKL-MFKMUULPSA-N 1 0 330.450 3.103 20 5 EGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000866274441 1330089302 /nfs/dbraw/zinc/08/93/02/1330089302.db2.gz LIFIPQCUKAUDAK-GFCCVEGCSA-N 1 0 347.346 3.405 20 5 EGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H](C)[C@H](O)Cc1ccccc1 ZINC000866310752 1330094476 /nfs/dbraw/zinc/09/44/76/1330094476.db2.gz VVDRTPIBJVFDAM-PJIJBLCYSA-N 1 0 346.402 3.247 20 5 EGBDRO C[C@@H](C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)CC1(C)OCCO1 ZINC000866425224 1330110041 /nfs/dbraw/zinc/11/00/41/1330110041.db2.gz KIVXYBFTKPRUOA-CXAGYDPISA-N 1 0 334.416 3.351 20 5 EGBDRO Cc1cc(O[C@@H]2CCC[NH2+]C[C@@H]2C)c([N+](=O)[O-])cc1Br ZINC001217988886 1373528159 /nfs/dbraw/zinc/52/81/59/1373528159.db2.gz PNFBXSQDVWCPAS-GXFFZTMASA-N 1 0 343.221 3.433 20 5 EGBDRO O=[N+]([O-])c1c(Br)cccc1O[C@@H]1CCC[C@]12CC[NH2+]C2 ZINC001218089923 1373557347 /nfs/dbraw/zinc/55/73/47/1373557347.db2.gz HEMFGWQTFIOYNK-TZMCWYRMSA-N 1 0 341.205 3.268 20 5 EGBDRO Cc1cc(O[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]23)c([N+](=O)[O-])cc1Br ZINC001218475593 1373620984 /nfs/dbraw/zinc/62/09/84/1373620984.db2.gz ZAAXDIPTAUTOIU-GIPNMCIBSA-N 1 0 341.205 3.043 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+]([C@H]3CCc4c3cccc4F)C2)nc1 ZINC001324296298 1387586520 /nfs/dbraw/zinc/58/65/20/1387586520.db2.gz CRSYNPUORGCEQD-PXAZEXFGSA-N 1 0 342.374 3.303 20 5 EGBDRO CCCC(C)(C)C(=O)N1CCCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001196992894 1368726963 /nfs/dbraw/zinc/72/69/63/1368726963.db2.gz DWPLNDMWUOHDHK-UHFFFAOYSA-N 1 0 347.459 3.455 20 5 EGBDRO CC(C)(C)/C=C\C(=O)N1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001199848423 1369280613 /nfs/dbraw/zinc/28/06/13/1369280613.db2.gz YISZIRUMAAVLQZ-YFHOEESVSA-N 1 0 345.443 3.278 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC001116318338 1370884802 /nfs/dbraw/zinc/88/48/02/1370884802.db2.gz DDZFENCWFMYHLH-CABCVRRESA-N 1 0 331.416 3.354 20 5 EGBDRO CCOc1cc(C[N@H+](Cc2ccccc2)[C@H](C)CO)ccc1[N+](=O)[O-] ZINC001116761112 1370969252 /nfs/dbraw/zinc/96/92/52/1370969252.db2.gz SVGGYHCHTSXREI-OAHLLOKOSA-N 1 0 344.411 3.377 20 5 EGBDRO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC001326085462 1388110761 /nfs/dbraw/zinc/11/07/61/1388110761.db2.gz UHUDVNJHZBYPHS-GDBMZVCRSA-N 1 0 348.447 3.002 20 5 EGBDRO Cn1ncc([N+](=O)[O-])c1S[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001119966810 1371434900 /nfs/dbraw/zinc/43/49/00/1371434900.db2.gz DUVJWJFGESMCLS-CQSZACIVSA-N 1 0 332.429 3.085 20 5 EGBDRO Cc1cncc([N+](=O)[O-])c1NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001326376616 1388170372 /nfs/dbraw/zinc/17/03/72/1388170372.db2.gz NBLZPJBFJISHPV-KRWDZBQOSA-N 1 0 340.427 3.044 20 5 EGBDRO C[NH+]1CCN(Cc2ccc(Nc3ccc(F)c([N+](=O)[O-])c3)cc2)CC1 ZINC001211192521 1372497239 /nfs/dbraw/zinc/49/72/39/1372497239.db2.gz AKINUWATJNHFHL-UHFFFAOYSA-N 1 0 344.390 3.225 20 5 EGBDRO Cc1ccc(Nc2ccc(CN3CC[NH+](C)CC3)cc2)cc1[N+](=O)[O-] ZINC001213666699 1372942020 /nfs/dbraw/zinc/94/20/20/1372942020.db2.gz BGUPBRIYWODOJA-UHFFFAOYSA-N 1 0 340.427 3.394 20 5 EGBDRO C[NH+]1CCN(Cc2ccccc2Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC001216483586 1373310504 /nfs/dbraw/zinc/31/05/04/1373310504.db2.gz AFAGWIZLUUOWOQ-UHFFFAOYSA-N 1 0 344.390 3.225 20 5 EGBDRO CC1(C(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)CCCCCC1 ZINC001129647753 1373407331 /nfs/dbraw/zinc/40/73/31/1373407331.db2.gz NEVNNPPMJUWKFN-UHFFFAOYSA-N 1 0 339.461 3.223 20 5 EGBDRO O=[N+]([O-])c1cc([N+](=O)[O-])c(O[C@H]2CCC[NH2+]C[C@H]2F)c2ccccc21 ZINC001217953659 1373518265 /nfs/dbraw/zinc/51/82/65/1373518265.db2.gz YXTZWOPUKPNOQW-DOMZBBRYSA-N 1 0 349.318 3.125 20 5 EGBDRO O=c1c2ccccc2oc2cc(O[C@@H]3C[NH2+]CCC[C@@H]3F)ccc12 ZINC001217978173 1373523897 /nfs/dbraw/zinc/52/38/97/1373523897.db2.gz ACSHKWZGHGJYOG-MAUKXSAKSA-N 1 0 327.355 3.415 20 5 EGBDRO C[C@H]1C[NH2+]CCC[C@@H]1Oc1c2ccccc2c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001217992590 1373529551 /nfs/dbraw/zinc/52/95/51/1373529551.db2.gz SCBHOXIHTNFKMU-ZBEGNZNMSA-N 1 0 345.355 3.423 20 5 EGBDRO Cc1cc(O[C@@H]2CC[NH2+]CC[C@@H]2F)c([N+](=O)[O-])cc1Br ZINC001218015755 1373538358 /nfs/dbraw/zinc/53/83/58/1373538358.db2.gz MYRSFXWXONDPRV-CMPLNLGQSA-N 1 0 347.184 3.135 20 5 EGBDRO C[C@@H]1C[C@H](Oc2cc(C(F)(F)F)c3cc([N+](=O)[O-])ccc3n2)C[NH2+]1 ZINC001218047756 1373547473 /nfs/dbraw/zinc/54/74/73/1373547473.db2.gz BUJOJNWCDBDMFA-SCZZXKLOSA-N 1 0 341.289 3.291 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(OC[C@@H]3CCC4(C[NH2+]C4)O3)cc2)cc1 ZINC001218069467 1373553577 /nfs/dbraw/zinc/55/35/77/1373553577.db2.gz IQQQFLGXYFQDEV-SFHVURJKSA-N 1 0 340.379 3.162 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCCCC2)cc1OC1CC2(C1)CC[NH2+]CC2 ZINC001218105925 1373562196 /nfs/dbraw/zinc/56/21/96/1373562196.db2.gz DGLDBUAPGVRNTC-UHFFFAOYSA-N 1 0 345.443 3.496 20 5 EGBDRO CCC(C)(C)c1cc([N+](=O)[O-])c(OC2CC3(CC[NH2+]3)C2)c([N+](=O)[O-])c1 ZINC001218245576 1373582711 /nfs/dbraw/zinc/58/27/11/1373582711.db2.gz DLNVJTDLEHNDQZ-UHFFFAOYSA-N 1 0 349.387 3.464 20 5 EGBDRO CC1(C)C[NH2+]CC[C@@H]1Oc1c(Br)cc(F)cc1[N+](=O)[O-] ZINC001218318221 1373595264 /nfs/dbraw/zinc/59/52/64/1373595264.db2.gz XZHNZKRAVAVVKG-NSHDSACASA-N 1 0 347.184 3.263 20 5 EGBDRO CCC(C)(C)c1cc([N+](=O)[O-])c(O[C@@H]2C[C@@H]3C[NH2+]C[C@@H]23)c([N+](=O)[O-])c1 ZINC001218332805 1373598277 /nfs/dbraw/zinc/59/82/77/1373598277.db2.gz WMOFUCCADJRQHC-IXPVHAAZSA-N 1 0 349.387 3.177 20 5 EGBDRO [NH3+][C@@H](Cc1c2ccccc2cc2ccccc21)C(=O)NC[C@H]1CCOC1 ZINC001220020389 1373746335 /nfs/dbraw/zinc/74/63/35/1373746335.db2.gz HCWZORSSCYRZDK-VFNWGFHPSA-N 1 0 348.446 3.016 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1C[C@@H](C)O[C@H](CC[NH+](C)C)c1ccccc1 ZINC001224134232 1375055032 /nfs/dbraw/zinc/05/50/32/1375055032.db2.gz POEDJOGHNCWHPI-RHSMWYFYSA-N 1 0 346.431 3.198 20 5 EGBDRO O=[N+]([O-])c1cccnc1O[C@@H]1CCN(Cc2ccccc2Cl)C1 ZINC001225595389 1375130015 /nfs/dbraw/zinc/13/00/15/1375130015.db2.gz JDLGLTBTEZYXFD-CYBMUJFWSA-N 1 0 333.775 3.297 20 5 EGBDRO O=[N+]([O-])c1cccnc1O[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001225598661 1375130712 /nfs/dbraw/zinc/13/07/12/1375130712.db2.gz XRHRFXDDVJFTOU-LZLYRXPVSA-N 1 0 339.395 3.279 20 5 EGBDRO CC(C)[N@@H+]1CCC[C@H](Oc2ncc(Br)cc2[N+](=O)[O-])C1 ZINC001225751194 1375152270 /nfs/dbraw/zinc/15/22/70/1375152270.db2.gz WOPSHIKDWUCSLB-NSHDSACASA-N 1 0 344.209 3.004 20 5 EGBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc2c(c1)oc(=O)cc2C(F)(F)F ZINC001226003689 1375188502 /nfs/dbraw/zinc/18/85/02/1375188502.db2.gz UGISDZHQUZNLIL-JTQLQIEISA-N 1 0 330.326 3.285 20 5 EGBDRO CCn1c(C)nc([N+](=O)[O-])c1Nc1cccc(C[NH+]2CCCC2)c1 ZINC001327083203 1388374335 /nfs/dbraw/zinc/37/43/35/1388374335.db2.gz WDOBUENGSYXEGX-UHFFFAOYSA-N 1 0 329.404 3.459 20 5 EGBDRO CC(C)[N@@H+]1CC[C@@H](Oc2cc(F)c(Br)cc2[N+](=O)[O-])C1 ZINC001227286908 1375416169 /nfs/dbraw/zinc/41/61/69/1375416169.db2.gz QFVTWZPLISOJOR-SECBINFHSA-N 1 0 347.184 3.358 20 5 EGBDRO CC(C)(C)N1CC(Oc2ncnc3cc(Cl)c([N+](=O)[O-])cc32)C1 ZINC001227363550 1375422582 /nfs/dbraw/zinc/42/25/82/1375422582.db2.gz GBNXRRABDLNAAA-UHFFFAOYSA-N 1 0 336.779 3.053 20 5 EGBDRO Cc1ccc(C2CCCCC2)c(OC(=O)C[C@@H](O)C[N+](C)(C)C)c1 ZINC001228139056 1375520178 /nfs/dbraw/zinc/52/01/78/1375520178.db2.gz PCQGHZRSZNRBLZ-QGZVFWFLSA-N 1 0 334.480 3.405 20 5 EGBDRO Cc1[nH]c(=O)cc(OC2CC[NH+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC001228685697 1375639209 /nfs/dbraw/zinc/63/92/09/1375639209.db2.gz JMPUIKMEINFJLG-UHFFFAOYSA-N 1 0 343.383 3.047 20 5 EGBDRO COC(=O)c1cc([N+](=O)[O-])ccc1OC1CC[NH+](C(C)(C)C)CC1 ZINC001229059073 1375753752 /nfs/dbraw/zinc/75/37/52/1375753752.db2.gz IGRMEISHBYBAJV-UHFFFAOYSA-N 1 0 336.388 3.023 20 5 EGBDRO Cc1cc(F)cc([N+](=O)[O-])c1O[C@H]1CC[C@H]([NH+]2CCOCC2)CC1 ZINC001229197168 1375785261 /nfs/dbraw/zinc/78/52/61/1375785261.db2.gz CFMQKINCYWWOJY-SHTZXODSSA-N 1 0 338.379 3.065 20 5 EGBDRO COCCC[NH+]1CCC(Oc2cc([N+](=O)[O-])cc3cccnc32)CC1 ZINC001229347397 1375815749 /nfs/dbraw/zinc/81/57/49/1375815749.db2.gz QXOYTRPIIBPIHB-UHFFFAOYSA-N 1 0 345.399 3.023 20 5 EGBDRO CC(C)[NH+]1CCC(Oc2cc(Br)cnc2[N+](=O)[O-])CC1 ZINC001229560999 1375854459 /nfs/dbraw/zinc/85/44/59/1375854459.db2.gz TZEWGSUGJXTICC-UHFFFAOYSA-N 1 0 344.209 3.004 20 5 EGBDRO CC1(CCC(=O)NC2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)CC1 ZINC001229878298 1375909680 /nfs/dbraw/zinc/90/96/80/1375909680.db2.gz BSYBHYKMMAVDQK-UHFFFAOYSA-N 1 0 345.443 3.256 20 5 EGBDRO CC[N@@H+]1CC[C@@H](Oc2c(C)cc(Br)cc2[N+](=O)[O-])C1 ZINC001230938149 1376183985 /nfs/dbraw/zinc/18/39/85/1376183985.db2.gz NDYJGIZABYHSJC-LLVKDONJSA-N 1 0 329.194 3.139 20 5 EGBDRO O=[N+]([O-])c1cc(F)cc(F)c1OC1CCN(c2cc[nH+]cc2)CC1 ZINC001233699421 1376699156 /nfs/dbraw/zinc/69/91/56/1376699156.db2.gz OKRCROPZZGWSLU-UHFFFAOYSA-N 1 0 335.310 3.316 20 5 EGBDRO O=[N+]([O-])c1ccc2cnn(C[NH+]3CCC([C@H]4CCCCO4)CC3)c2c1 ZINC001327677787 1388577779 /nfs/dbraw/zinc/57/77/79/1388577779.db2.gz DYAIQAYWTLIXAT-GOSISDBHSA-N 1 0 344.415 3.183 20 5 EGBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C1(C2CCCCC2)CC1 ZINC001149134882 1379330463 /nfs/dbraw/zinc/33/04/63/1379330463.db2.gz NPDPTEZUWSSAIN-UHFFFAOYSA-N 1 0 345.443 3.161 20 5 EGBDRO O=C(CCCC1CCCC1)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001152676130 1379967220 /nfs/dbraw/zinc/96/72/20/1379967220.db2.gz FWJHCBBGDFIZHN-UHFFFAOYSA-N 1 0 333.432 3.161 20 5 EGBDRO N=c1cc(C[NH3+])ccn1C(=O)c1c2ccccc2cc2ccccc21 ZINC001153499270 1380085869 /nfs/dbraw/zinc/08/58/69/1380085869.db2.gz KORMYKNJEGRGJH-UHFFFAOYSA-N 1 0 327.387 3.421 20 5 EGBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)c2cccc3nc4ccccc4nc32)C1 ZINC001153870419 1380147031 /nfs/dbraw/zinc/14/70/31/1380147031.db2.gz BYRWBBXHFYZWNC-HNNXBMFYSA-N 1 0 348.450 3.245 20 5 EGBDRO O=C(CCC1CCCC1)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001154273352 1380244046 /nfs/dbraw/zinc/24/40/46/1380244046.db2.gz GLDJDYNWYJCKBQ-UHFFFAOYSA-N 1 0 333.432 3.161 20 5 EGBDRO O=[N+]([O-])c1cnc(N[C@H]2C[NH2+]Cc3ccsc32)c2ccccc21 ZINC001155560265 1380468501 /nfs/dbraw/zinc/46/85/01/1380468501.db2.gz BZZYITIJFBJEHP-ZDUSSCGKSA-N 1 0 326.381 3.461 20 5 EGBDRO COc1cc(-n2c(C)c(C)c3cc(C[NH3+])ccc32)ncc1[N+](=O)[O-] ZINC001155901827 1380504066 /nfs/dbraw/zinc/50/40/66/1380504066.db2.gz HGMIPIXMUGRRSA-UHFFFAOYSA-N 1 0 326.356 3.018 20 5 EGBDRO CCOc1nc(NCc2cccc(C[NH+](C)C)c2)ccc1[N+](=O)[O-] ZINC001156047934 1380517815 /nfs/dbraw/zinc/51/78/15/1380517815.db2.gz KQPAQUIRGIVYKZ-UHFFFAOYSA-N 1 0 330.388 3.062 20 5 EGBDRO O=[N+]([O-])c1c[nH]c2ccc(NCC3C[NH+](Cc4ccccc4)C3)nc21 ZINC001156398374 1380571180 /nfs/dbraw/zinc/57/11/80/1380571180.db2.gz BNVRXAYSKUXKHQ-UHFFFAOYSA-N 1 0 337.383 3.015 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)cnc1-n1cncc1C[NH2+]Cc1ccccc1 ZINC001156482704 1380581898 /nfs/dbraw/zinc/58/18/98/1380581898.db2.gz UHSZGTADWGZKPE-UHFFFAOYSA-N 1 0 343.774 3.119 20 5 EGBDRO COc1cnc(NC[C@H](c2ccccc2)[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC001156531639 1380589277 /nfs/dbraw/zinc/58/92/77/1380589277.db2.gz PJZFXTZADIEGNC-QGZVFWFLSA-N 1 0 342.399 3.247 20 5 EGBDRO C[NH+]1CCC2(CCN(c3ccc4c(cccc4[N+](=O)[O-])n3)CC2)CC1 ZINC001156576068 1380595841 /nfs/dbraw/zinc/59/58/41/1380595841.db2.gz JCZKSBUQJFOBTD-UHFFFAOYSA-N 1 0 340.427 3.455 20 5 EGBDRO O=C(NCCC[NH2+]Cc1csc([N+](=O)[O-])c1)C1=CCCCCC1 ZINC001157048467 1380760481 /nfs/dbraw/zinc/76/04/81/1380760481.db2.gz FLJJSGHIMPMTHM-UHFFFAOYSA-N 1 0 337.445 3.143 20 5 EGBDRO Cc1cnc(N(Cc2ccccc2)[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001157427641 1380885007 /nfs/dbraw/zinc/88/50/07/1380885007.db2.gz ZTNJKMPMZNJZDY-MRXNPFEDSA-N 1 0 326.400 3.057 20 5 EGBDRO O=[N+]([O-])c1c(Cl)cc(Cl)nc1N1CCCC[C@]12CCC[NH2+]C2 ZINC001157471790 1380923794 /nfs/dbraw/zinc/92/37/94/1380923794.db2.gz OIMCUQBUMMHFTA-CQSZACIVSA-N 1 0 345.230 3.409 20 5 EGBDRO O=[N+]([O-])c1ccc2ccnc(N3CC[NH2+][C@H](c4ccccc4)C3)c2c1 ZINC001157764821 1381026950 /nfs/dbraw/zinc/02/69/50/1381026950.db2.gz HJLCCDHSSZVIRR-SFHVURJKSA-N 1 0 334.379 3.294 20 5 EGBDRO Cc1c[nH+]ccc1N1CCN(c2ccc3ccc([N+](=O)[O-])cc3n2)CC1 ZINC001158106414 1381129073 /nfs/dbraw/zinc/12/90/73/1381129073.db2.gz QOZWMZDKMYYAEF-UHFFFAOYSA-N 1 0 349.394 3.173 20 5 EGBDRO CC[N@@H+]1CCN(c2nc(Cl)nc3ccc([N+](=O)[O-])cc32)C(C)(C)C1 ZINC001158563087 1381301887 /nfs/dbraw/zinc/30/18/87/1381301887.db2.gz VZFAJIPOKLWIPQ-UHFFFAOYSA-N 1 0 349.822 3.112 20 5 EGBDRO CCOC(=O)C1=C(N=c2ccc3ccc4cccnc4c3[nH]2)CC[NH2+]C1 ZINC001159453852 1381797885 /nfs/dbraw/zinc/79/78/85/1381797885.db2.gz WMNMZKDLCWPAFK-UHFFFAOYSA-N 1 0 348.406 3.005 20 5 EGBDRO COc1nc(-n2cc(C[C@@H](C)[NH3+])c3ccc(C)cc32)ccc1[N+](=O)[O-] ZINC001160011690 1381966927 /nfs/dbraw/zinc/96/69/27/1381966927.db2.gz OWQJRDUXYUPQSY-GFCCVEGCSA-N 1 0 340.383 3.140 20 5 EGBDRO [NH3+]Cc1ccc2cn(-c3nc(Cl)c(Cl)cc3[N+](=O)[O-])nc2c1 ZINC001160140527 1382013243 /nfs/dbraw/zinc/01/32/43/1382013243.db2.gz FUUKHTNWNMBHOK-UHFFFAOYSA-N 1 0 338.154 3.094 20 5 EGBDRO O=[N+]([O-])c1cc(F)ccc1Nc1ccc(O[C@@H]2CC[NH2+]C2)c(F)c1 ZINC001160164195 1382022524 /nfs/dbraw/zinc/02/25/24/1382022524.db2.gz UQMYGDVHCWREHV-GFCCVEGCSA-N 1 0 335.310 3.357 20 5 EGBDRO [NH3+]Cc1ccc(Nc2ncc(F)cc2[N+](=O)[O-])c(C(F)(F)F)c1 ZINC001160417345 1382098879 /nfs/dbraw/zinc/09/88/79/1382098879.db2.gz BHMMSYOMAIGACV-UHFFFAOYSA-N 1 0 330.241 3.350 20 5 EGBDRO CC(C)Oc1nc(-n2ccc3cccc(C[NH3+])c32)ccc1[N+](=O)[O-] ZINC001160460847 1382109642 /nfs/dbraw/zinc/10/96/42/1382109642.db2.gz NTBPLBQWNMTKLP-UHFFFAOYSA-N 1 0 326.356 3.180 20 5 EGBDRO O=[N+]([O-])c1cc(F)cnc1N[C@H](c1cccc(F)c1)C1CC[NH2+]CC1 ZINC001161818905 1382519577 /nfs/dbraw/zinc/51/95/77/1382519577.db2.gz BCLSCKCMDMSEFO-INIZCTEOSA-N 1 0 348.353 3.421 20 5 EGBDRO C[N@@H+]1CCC[C@@](C)(Nc2cc3ncnc(Cl)c3cc2[N+](=O)[O-])C1 ZINC001162342234 1382735192 /nfs/dbraw/zinc/73/51/92/1382735192.db2.gz SDDPFCLJTAFXBU-OAHLLOKOSA-N 1 0 335.795 3.088 20 5 EGBDRO O=[N+]([O-])c1cc(F)cc2ccc(NC[C@]3(F)CCCC[NH2+]C3)nc21 ZINC001162579304 1382796796 /nfs/dbraw/zinc/79/67/96/1382796796.db2.gz BFTULGSTGAUFER-INIZCTEOSA-N 1 0 336.342 3.176 20 5 EGBDRO O=[N+]([O-])c1ccc(NCc2ccc3c(c2)CC[NH2+]C3)c2ccncc21 ZINC001162807200 1382878719 /nfs/dbraw/zinc/87/87/19/1382878719.db2.gz AKTXYEYQDMQVDT-UHFFFAOYSA-N 1 0 334.379 3.401 20 5 EGBDRO Cc1c(NC[C@@H]2CCC3(CC[NH2+]CC3)CO2)cc(F)cc1[N+](=O)[O-] ZINC001162965681 1382929942 /nfs/dbraw/zinc/92/99/42/1382929942.db2.gz LNOKFUKRUKIXAC-AWEZNQCLSA-N 1 0 337.395 3.003 20 5 EGBDRO COc1nc(NC2CC[NH+](C[C@H]3CC=CCC3)CC2)ccc1[N+](=O)[O-] ZINC001163315879 1383019884 /nfs/dbraw/zinc/01/98/84/1383019884.db2.gz TUKINJHDMGRGPO-AWEZNQCLSA-N 1 0 346.431 3.231 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(OC(C)C)cc1N[C@@H]1CCO[C@@]2(CC[NH2+]C2)C1 ZINC001163334481 1383024412 /nfs/dbraw/zinc/02/44/12/1383024412.db2.gz WPACBVOFKZFZKU-KDOFPFPSSA-N 1 0 349.431 3.013 20 5 EGBDRO CC(C)[N@@H+]1CC[C@H](Nc2cnc3cc([N+](=O)[O-])ccc3n2)[C@@H](C)C1 ZINC001163360511 1383029751 /nfs/dbraw/zinc/02/97/51/1383029751.db2.gz DORDKPXSOUYAPV-JSGCOSHPSA-N 1 0 329.404 3.069 20 5 EGBDRO C[C@H]1CC[C@H](C[NH3+])N(c2cc3ccc(Cl)nc3cc2[N+](=O)[O-])C1 ZINC001164080070 1383153891 /nfs/dbraw/zinc/15/38/91/1383153891.db2.gz YUQWFJFVOYMHAQ-CMPLNLGQSA-N 1 0 334.807 3.360 20 5 EGBDRO C[NH+]1CCC(C2CCN(c3cc([N+](=O)[O-])cc(Cl)n3)CC2)CC1 ZINC001165066109 1383220450 /nfs/dbraw/zinc/22/04/50/1383220450.db2.gz UVYQPDPNSKILIQ-UHFFFAOYSA-N 1 0 338.839 3.201 20 5 EGBDRO CC(C)[N@@H+]1CCN(c2cc([N+](=O)[O-])cc3c(Cl)ncnc32)C[C@H]1C ZINC001165201000 1383246857 /nfs/dbraw/zinc/24/68/57/1383246857.db2.gz KGDFRXJYWRYDTK-LLVKDONJSA-N 1 0 349.822 3.110 20 5 EGBDRO O=[N+]([O-])c1c(Cl)ccc2nc(N3CC[C@@]4(C3)CCC[NH2+]C4)ccc21 ZINC001165238999 1383255690 /nfs/dbraw/zinc/25/56/90/1383255690.db2.gz KVBBTRVWPNEHGD-KRWDZBQOSA-N 1 0 346.818 3.376 20 5 EGBDRO [NH3+]C1CC2(C1)CCN(c1nc(Cl)cc(Cl)c1[N+](=O)[O-])CC2 ZINC001165243618 1383256419 /nfs/dbraw/zinc/25/64/19/1383256419.db2.gz MVTUZTZBGSHDSZ-UHFFFAOYSA-N 1 0 331.203 3.004 20 5 EGBDRO CCc1ccccc1C(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001165327517 1383273326 /nfs/dbraw/zinc/27/33/26/1383273326.db2.gz INJWKSGAJXDSFG-UHFFFAOYSA-N 1 0 341.411 3.067 20 5 EGBDRO O=[N+]([O-])c1ccc2ccnc(N3C[C@H]4c5ccccc5C[NH2+][C@@H]4C3)c2c1 ZINC001165351065 1383279587 /nfs/dbraw/zinc/27/95/87/1383279587.db2.gz OGIWKPAUAJOQRP-RBUKOAKNSA-N 1 0 346.390 3.219 20 5 EGBDRO O=[N+]([O-])c1ccc2ccc(N3CCC([C@H]4CCC[NH2+]4)CC3)nc2c1 ZINC001166903182 1383496960 /nfs/dbraw/zinc/49/69/60/1383496960.db2.gz OTHNOOAYLIVJMS-MRXNPFEDSA-N 1 0 326.400 3.111 20 5 EGBDRO C[NH2+]Cc1cccc(Nc2nc(Cl)nc(Cl)c2[N+](=O)[O-])c1 ZINC001167033242 1383523990 /nfs/dbraw/zinc/52/39/90/1383523990.db2.gz QGXOOKTXOHXGKP-UHFFFAOYSA-N 1 0 328.159 3.155 20 5 EGBDRO [NH3+]CCc1cn(-c2ccnc3c2cccc3[N+](=O)[O-])c2ccc(O)cc12 ZINC001167986618 1383788229 /nfs/dbraw/zinc/78/82/29/1383788229.db2.gz BWFWXSKBPHPNNI-UHFFFAOYSA-N 1 0 348.362 3.294 20 5 EGBDRO C[NH+](C)CC(C)(C)CNc1ccc(OC(F)(F)F)c([N+](=O)[O-])c1 ZINC001168767862 1383997260 /nfs/dbraw/zinc/99/72/60/1383997260.db2.gz KRFGASIKTAEQLY-UHFFFAOYSA-N 1 0 335.326 3.493 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2ccc(Br)cc2F)C1 ZINC001168955770 1384071030 /nfs/dbraw/zinc/07/10/30/1384071030.db2.gz CCWWVRAKSWLWGV-CABZTGNLSA-N 1 0 331.185 3.123 20 5 EGBDRO Cc1ccc(F)c(CN2CCC([NH2+][C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)c1 ZINC001168990890 1384080776 /nfs/dbraw/zinc/08/07/76/1384080776.db2.gz FGJDRFNTXJYIPQ-MAUKXSAKSA-N 1 0 349.450 3.134 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2cncn2Cc2cccc(Cl)c2)C1 ZINC001168992475 1384081388 /nfs/dbraw/zinc/08/13/88/1384081388.db2.gz JXNILFWZYACBAA-GOEBONIOSA-N 1 0 348.834 3.120 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(Oc3ccccn3)cc2)C1 ZINC001168998389 1384083289 /nfs/dbraw/zinc/08/32/89/1384083289.db2.gz MCVWTTNPUHEWPD-HZPDHXFCSA-N 1 0 327.384 3.409 20 5 EGBDRO Cc1ccc(Cl)cc1N1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169007394 1384085852 /nfs/dbraw/zinc/08/58/52/1384085852.db2.gz NDHHDELWDRPJLH-GOEBONIOSA-N 1 0 337.851 3.216 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCc3cccc(Br)c3C2)C1 ZINC001169011344 1384088268 /nfs/dbraw/zinc/08/82/68/1384088268.db2.gz JZHDSXHYFDFCHV-DGCLKSJQSA-N 1 0 339.233 3.253 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCC(OCc3ccccc3F)CC2)C1 ZINC001169028918 1384093576 /nfs/dbraw/zinc/09/35/76/1384093576.db2.gz SUDBETSXJHKJSR-ZBFHGGJFSA-N 1 0 336.407 3.252 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2CCc3ccc(Br)cc3C2)C1 ZINC001169033279 1384094690 /nfs/dbraw/zinc/09/46/90/1384094690.db2.gz BQTZCLJRTMNZJM-XHDPSFHLSA-N 1 0 339.233 3.253 20 5 EGBDRO C[N@H+](Cc1cccc(Br)c1F)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169036648 1384095986 /nfs/dbraw/zinc/09/59/86/1384095986.db2.gz PJRFCENIJJWIJC-JQWIXIFHSA-N 1 0 345.212 3.465 20 5 EGBDRO COC(=O)c1cccc(C2CC[NH+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)c1 ZINC001169039679 1384098207 /nfs/dbraw/zinc/09/82/07/1384098207.db2.gz SCOYDXQOLDAHPQ-KSSFIOAISA-N 1 0 346.427 3.098 20 5 EGBDRO CCOc1cc2c(cc1OCC)C[N@@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169047095 1384100164 /nfs/dbraw/zinc/10/01/64/1384100164.db2.gz QSBVYAXZHUUVAI-PBHICJAKSA-N 1 0 348.443 3.288 20 5 EGBDRO COC(=O)[C@@H]1CC[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)[C@@H](c2ccccc2)C1 ZINC001169047864 1384100481 /nfs/dbraw/zinc/10/04/81/1384100481.db2.gz SATIQOJKHFHZRD-VDHUWJSZSA-N 1 0 346.427 3.058 20 5 EGBDRO COC(=O)c1ccc([C@@H]2CCCC[N@@H+]2[C@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001169048742 1384100823 /nfs/dbraw/zinc/10/08/23/1384100823.db2.gz BFBPADJPWDQOKN-WBAXXEDZSA-N 1 0 346.427 3.446 20 5 EGBDRO COC(=O)[C@@H]1CC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)[C@H](c2ccccc2)C1 ZINC001169047863 1384100868 /nfs/dbraw/zinc/10/08/68/1384100868.db2.gz SATIQOJKHFHZRD-HPBDAGMYSA-N 1 0 346.427 3.058 20 5 EGBDRO C[N@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001169053601 1384101226 /nfs/dbraw/zinc/10/12/26/1384101226.db2.gz JEEXMQAUUPDQNI-GUDVDZBRSA-N 1 0 331.460 3.028 20 5 EGBDRO O=C1CC2(CC[NH+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)c2ccccc21 ZINC001169056352 1384101736 /nfs/dbraw/zinc/10/17/36/1384101736.db2.gz SJGXPFIHVOHWOW-LSDHHAIUSA-N 1 0 328.412 3.052 20 5 EGBDRO CC(C)(C)c1cnc(-n2cc(CC[NH3+])c3ncccc32)c([N+](=O)[O-])c1 ZINC001169703441 1384175366 /nfs/dbraw/zinc/17/53/66/1384175366.db2.gz YDXVBKPKCWETBL-UHFFFAOYSA-N 1 0 339.399 3.127 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+][C@@H]2COc3ccccc3C2)c([N+](=O)[O-])c1 ZINC001170299101 1384285442 /nfs/dbraw/zinc/28/54/42/1384285442.db2.gz PUCMFZIMQQLSCS-BBRMVZONSA-N 1 0 342.395 3.128 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+]C[C@@H]2Cc3ccccc3O2)c([N+](=O)[O-])c1 ZINC001170298024 1384285476 /nfs/dbraw/zinc/28/54/76/1384285476.db2.gz YKMMWPAMMNEQCL-GUYCJALGSA-N 1 0 342.395 3.128 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2cc(C(C)C)no2)c([N+](=O)[O-])c1 ZINC001170304490 1384286306 /nfs/dbraw/zinc/28/63/06/1384286306.db2.gz CKYRBMQLZATNAF-GFCCVEGCSA-N 1 0 333.388 3.436 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+]CCCc2ccccn2)c([N+](=O)[O-])c1 ZINC001170304529 1384286599 /nfs/dbraw/zinc/28/65/99/1384286599.db2.gz DMIOBLJSARQPFZ-CQSZACIVSA-N 1 0 329.400 3.152 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H](C(C)=O)c2ccccc2)c([N+](=O)[O-])c1 ZINC001170307053 1384287304 /nfs/dbraw/zinc/28/73/04/1384287304.db2.gz CUZUXMYZEKILSL-YJYMSZOUSA-N 1 0 342.395 3.454 20 5 EGBDRO COc1ccc(C[C@H](C)n2c(C[NH3+])cc3ccncc32)c([N+](=O)[O-])c1 ZINC001170317419 1384289699 /nfs/dbraw/zinc/28/96/99/1384289699.db2.gz IGUMDVUYRVDYPZ-LBPRGKRZSA-N 1 0 340.383 3.216 20 5 EGBDRO CCOc1cccc(C[NH2+][C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])n1 ZINC001170323732 1384290855 /nfs/dbraw/zinc/29/08/55/1384290855.db2.gz LXGMPDAUHXUILM-CYBMUJFWSA-N 1 0 345.399 3.118 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+]CCc2scnc2C)c([N+](=O)[O-])c1 ZINC001170326195 1384291482 /nfs/dbraw/zinc/29/14/82/1384291482.db2.gz GFKYJHZQGNWMCH-LLVKDONJSA-N 1 0 335.429 3.132 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH+]2CCC3(C[C@@H]3CCO)CC2)c([N+](=O)[O-])c1 ZINC001170335965 1384294415 /nfs/dbraw/zinc/29/44/15/1384294415.db2.gz SESJWVANIGPGHV-ZBFHGGJFSA-N 1 0 348.443 3.019 20 5 EGBDRO COc1ccc(C[C@H](C)[N@@H+]2CC[C@@]3(C2)CCCOC3)c([N+](=O)[O-])c1 ZINC001170351399 1384298083 /nfs/dbraw/zinc/29/80/83/1384298083.db2.gz GAHBNBBLCONBPI-KBXCAEBGSA-N 1 0 334.416 3.037 20 5 EGBDRO COC(=O)c1cccc([C@H](C)Nc2cc3c(cc2[N+](=O)[O-])C[NH2+]C3)c1 ZINC001171106626 1384446740 /nfs/dbraw/zinc/44/67/40/1384446740.db2.gz NMHIRLUOUQCMPD-NSHDSACASA-N 1 0 341.367 3.158 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(-n2cc(C[C@H](C)[NH3+])c3ccc(C)cc32)n1 ZINC001171164251 1384458390 /nfs/dbraw/zinc/45/83/90/1384458390.db2.gz HRMXBBANOLJHIB-LBPRGKRZSA-N 1 0 340.383 3.140 20 5 EGBDRO Cc1ccc2c(C[C@H](C)[NH3+])cn(-c3cc([N+](=O)[O-])c4nccn4c3)c2c1 ZINC001171166088 1384458751 /nfs/dbraw/zinc/45/87/51/1384458751.db2.gz BLQUNVNNBDPDJZ-ZDUSSCGKSA-N 1 0 349.394 3.385 20 5 EGBDRO O=C(NCCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC001171844482 1384659424 /nfs/dbraw/zinc/65/94/24/1384659424.db2.gz KZNYTLPRCLFKPR-UHFFFAOYSA-N 1 0 347.802 3.158 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@@H]1COc3ccccc3C1)CC2 ZINC001172895289 1384873852 /nfs/dbraw/zinc/87/38/52/1384873852.db2.gz BSSVWGGBOGHXEH-MSOLQXFVSA-N 1 0 338.407 3.436 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]C1(C3CCOCC3)CC1)CC2 ZINC001172901395 1384874187 /nfs/dbraw/zinc/87/41/87/1384874187.db2.gz MRDXKYNLYJDGCQ-QGZVFWFLSA-N 1 0 330.428 3.391 20 5 EGBDRO C[C@H]1C[C@H]2C[N@@H+]([C@H]3CCc4ccc([N+](=O)[O-])cc4CC3)CC[C@H]2O1 ZINC001172902885 1384874695 /nfs/dbraw/zinc/87/46/95/1384874695.db2.gz DALSWFSYLSLUDK-LZLXCTOHSA-N 1 0 330.428 3.342 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CCC[C@@]3(CCOC3)C1)CC2 ZINC001172902442 1384874763 /nfs/dbraw/zinc/87/47/63/1384874763.db2.gz BMHAYJODAALIOL-IEBWSBKVSA-N 1 0 330.428 3.345 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@@H]1CCCC3(C1)OCCO3)CC2 ZINC001172904566 1384875424 /nfs/dbraw/zinc/87/54/24/1384875424.db2.gz YGEBFLAEJLGMJO-DLBZAZTESA-N 1 0 346.427 3.118 20 5 EGBDRO CCN1CCC([N@H+](C)[C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172912477 1384876063 /nfs/dbraw/zinc/87/60/63/1384876063.db2.gz AWFUQABPAUAFJA-QGZVFWFLSA-N 1 0 331.460 3.258 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CCC[C@@H]1c1ncccn1)CC2 ZINC001172913075 1384876992 /nfs/dbraw/zinc/87/69/92/1384876992.db2.gz OQRBNYCGWRKPIY-SJLPKXTDSA-N 1 0 338.411 3.469 20 5 EGBDRO O=C1C[C@H]2CCC[C@@H](C1)[N@H+]2[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172914819 1384877478 /nfs/dbraw/zinc/87/74/78/1384877478.db2.gz JMZLOMSKKJVKSA-YESZJQIVSA-N 1 0 328.412 3.428 20 5 EGBDRO O=C1CCC2(CC[NH+]([C@H]3CCc4ccc([N+](=O)[O-])cc4CC3)CC2)O1 ZINC001172914785 1384877510 /nfs/dbraw/zinc/87/75/10/1384877510.db2.gz ITUJOGXQMAUULK-INIZCTEOSA-N 1 0 344.411 3.014 20 5 EGBDRO CC[N@H+](CCN1CCCC1)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172918193 1384878152 /nfs/dbraw/zinc/87/81/52/1384878152.db2.gz YQBDBLIKSADLAW-SFHVURJKSA-N 1 0 331.460 3.260 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]Cc2ccnc(C)c2)c1F ZINC001173175750 1384931953 /nfs/dbraw/zinc/93/19/53/1384931953.db2.gz CQAJYJPGPJHWNT-LBPRGKRZSA-N 1 0 333.363 3.167 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH+]2CCC(CF)CC2)c1F ZINC001173189917 1384933093 /nfs/dbraw/zinc/93/30/93/1384933093.db2.gz OTSLSAGYOGUFIQ-LLVKDONJSA-N 1 0 328.359 3.355 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CCCc2ccccn2)c1F ZINC001173188850 1384933270 /nfs/dbraw/zinc/93/32/70/1384933270.db2.gz LKBLFAQDHZBITE-CYBMUJFWSA-N 1 0 347.390 3.291 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@@H]2COc3ccccc32)c1F ZINC001173189013 1384933563 /nfs/dbraw/zinc/93/35/63/1384933563.db2.gz MXIGZYQGCFMXNC-BXUZGUMPSA-N 1 0 346.358 3.397 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1C[C@H](NC(=O)OC(C)(C)C)C1 ZINC001173213634 1384936965 /nfs/dbraw/zinc/93/69/65/1384936965.db2.gz JJJLZBSKMZUSED-QEJZJMRPSA-N 1 0 349.431 3.171 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC(=O)c1ccc(F)cc1F ZINC001173214681 1384937095 /nfs/dbraw/zinc/93/70/95/1384937095.db2.gz DRDJVEOAKVGBGT-NSHDSACASA-N 1 0 334.322 3.277 20 5 EGBDRO CCOC(=O)c1ccc(C[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001173220412 1384938333 /nfs/dbraw/zinc/93/83/33/1384938333.db2.gz FEDXFJVRCXOURR-CQSZACIVSA-N 1 0 342.395 3.492 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccnc(OC2CCC2)n1 ZINC001173222974 1384938901 /nfs/dbraw/zinc/93/89/01/1384938901.db2.gz GFUUDALDQCSFCX-CYBMUJFWSA-N 1 0 342.399 3.037 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCC([NH3+])(c2ccccc2)CC1 ZINC001173225669 1384940142 /nfs/dbraw/zinc/94/01/42/1384940142.db2.gz UOSPGHHZQZVFCX-INIZCTEOSA-N 1 0 339.439 3.476 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc2oc(=O)[nH]c2c1 ZINC001173230826 1384940738 /nfs/dbraw/zinc/94/07/38/1384940738.db2.gz UTVVEOWLKUETJN-NSHDSACASA-N 1 0 327.340 3.162 20 5 EGBDRO COC(=O)c1ccccc1CC[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173230525 1384940788 /nfs/dbraw/zinc/94/07/88/1384940788.db2.gz RUUOKWAZJDFRSM-AWEZNQCLSA-N 1 0 342.395 3.145 20 5 EGBDRO CCOC(=O)[C@H]1CCC[N@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC001173231396 1384940991 /nfs/dbraw/zinc/94/09/91/1384940991.db2.gz CFBSLXZWTSYUMF-CPUCHLNUSA-N 1 0 334.416 3.189 20 5 EGBDRO CCOC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173232709 1384941256 /nfs/dbraw/zinc/94/12/56/1384941256.db2.gz SYEYHXCUKYLHDZ-IKICRFKJSA-N 1 0 346.427 3.189 20 5 EGBDRO CCOC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173232716 1384941640 /nfs/dbraw/zinc/94/16/40/1384941640.db2.gz SYEYHXCUKYLHDZ-KCMWZYNZSA-N 1 0 346.427 3.189 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H](O)c1ccc(F)c(F)c1 ZINC001173234989 1384942293 /nfs/dbraw/zinc/94/22/93/1384942293.db2.gz RLVWBWKNTMOEEY-PIGZYNQJSA-N 1 0 336.338 3.127 20 5 EGBDRO Cc1nccn1-c1cc[nH+]cc1NC(=O)c1cc([N+](=O)[O-])ccc1C ZINC001318605900 1385791258 /nfs/dbraw/zinc/79/12/58/1385791258.db2.gz WHFKSKSMSVSCGB-UHFFFAOYSA-N 1 0 337.339 3.045 20 5 EGBDRO CCOC(=O)c1cc(N[C@@H]2CCCC[C@@H]2[NH+](C)C)ccc1[N+](=O)[O-] ZINC001319091903 1385958363 /nfs/dbraw/zinc/95/83/63/1385958363.db2.gz JQFQMWXOHDSEGG-ZBFHGGJFSA-N 1 0 335.404 3.056 20 5 EGBDRO CCC[C@H]([NH2+][C@H](C)C(=O)NCC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC001319849661 1386333556 /nfs/dbraw/zinc/33/35/56/1386333556.db2.gz RYBOJSMXIDCESR-MFKMUULPSA-N 1 0 347.337 3.093 20 5 EGBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(C[NH+]2CCCC2)c1 ZINC001320619678 1386668293 /nfs/dbraw/zinc/66/82/93/1386668293.db2.gz ORYNQWARYWSURC-UHFFFAOYSA-N 1 0 340.383 3.025 20 5 EGBDRO O=C(CC[NH2+][C@H]1C[C@@H]1Cc1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC001336800305 1389172247 /nfs/dbraw/zinc/17/22/47/1389172247.db2.gz FLLQNQIIDLVFSJ-RDJZCZTQSA-N 1 0 339.395 3.144 20 5 EGBDRO COc1cc(NC2CCN(c3cc[nH+]cc3)CC2)c(F)cc1[N+](=O)[O-] ZINC001338313306 1389630689 /nfs/dbraw/zinc/63/06/89/1389630689.db2.gz HUBJZQOFYAEBSG-UHFFFAOYSA-N 1 0 346.362 3.218 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H]2CCO[C@@H](c3cccs3)C2)cc1 ZINC001338553016 1389706224 /nfs/dbraw/zinc/70/62/24/1389706224.db2.gz YGNIBYOXYNXDMB-VNQPRFMTSA-N 1 0 348.424 3.200 20 5 EGBDRO Cc1cncc([N+](=O)[O-])c1NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC001341769950 1390527303 /nfs/dbraw/zinc/52/73/03/1390527303.db2.gz OZZCHHZJNUBHFT-HNNXBMFYSA-N 1 0 340.427 3.358 20 5 EGBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001342727688 1390646013 /nfs/dbraw/zinc/64/60/13/1390646013.db2.gz ICOYWSGXPLCMCC-QGZVFWFLSA-N 1 0 349.456 3.065 20 5 EGBDRO Cc1cc(NC(=O)N(CC[NH+](C)C)Cc2ccco2)cc([N+](=O)[O-])c1 ZINC001347892441 1391141842 /nfs/dbraw/zinc/14/18/42/1391141842.db2.gz YDTFCWOFRXMHTD-UHFFFAOYSA-N 1 0 346.387 3.092 20 5 EGBDRO CC[N@@H+]1CCC[C@@H](CNc2ncnc3c(Cl)cc([N+](=O)[O-])cc23)C1 ZINC001350441317 1391465190 /nfs/dbraw/zinc/46/51/90/1391465190.db2.gz QXJGDUAGNDZFHC-NSHDSACASA-N 1 0 349.822 3.335 20 5 EGBDRO CC[NH+](CC)C1CCN(C(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001350932215 1391562257 /nfs/dbraw/zinc/56/22/57/1391562257.db2.gz NULUJGXTAUNMFM-CQSZACIVSA-N 1 0 348.447 3.172 20 5 EGBDRO O=[N+]([O-])c1c(N2CC[C@@H]([NH+]3CC=CC3)C2)cccc1C(F)(F)F ZINC001353252801 1391974790 /nfs/dbraw/zinc/97/47/90/1391974790.db2.gz WQWBBCPEUAEMKD-LLVKDONJSA-N 1 0 327.306 3.064 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2nnc(C[NH+]3CCC(C4CC4)CC3)o2)cc1 ZINC000368333789 168344485 /nfs/dbraw/zinc/34/44/85/168344485.db2.gz GZWJURKOIBIZIC-UHFFFAOYSA-N 1 0 328.372 3.267 20 5 EGBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](CCc3cccnc3)CC2)cc1 ZINC000173798545 231036936 /nfs/dbraw/zinc/03/69/36/231036936.db2.gz XUNHPVDNLPESOP-UHFFFAOYSA-N 1 0 327.384 3.076 20 5 EGBDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000175046292 231375494 /nfs/dbraw/zinc/37/54/94/231375494.db2.gz DNPURMNLWYZDHZ-LBPRGKRZSA-N 1 0 339.823 3.243 20 5 EGBDRO Cc1nccn1C[C@H](C)C[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000178708211 232394311 /nfs/dbraw/zinc/39/43/11/232394311.db2.gz ZXNNEAZOQDYPKY-CABCVRRESA-N 1 0 330.432 3.347 20 5 EGBDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)c1ccc([N+](=O)[O-])o1)c1ccccc1 ZINC000068386779 215304027 /nfs/dbraw/zinc/30/40/27/215304027.db2.gz LGZSNRRWXCNYSU-GFCCVEGCSA-N 1 0 331.372 3.047 20 5 EGBDRO Cc1csc([C@H]([NH2+]CCOc2cccc([N+](=O)[O-])c2)C2CC2)n1 ZINC000181623873 234257548 /nfs/dbraw/zinc/25/75/48/234257548.db2.gz ZLRGAENQDDIIDF-OAHLLOKOSA-N 1 0 333.413 3.479 20 5 EGBDRO Cn1cc(C[NH2+]CC2(C3CC3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000130692845 223169735 /nfs/dbraw/zinc/16/97/35/223169735.db2.gz DRHFCLMKMKYAPK-UHFFFAOYSA-N 1 0 326.400 3.275 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCS[C@H](C)[C@H]1C ZINC000246469490 243257314 /nfs/dbraw/zinc/25/73/14/243257314.db2.gz XIFFKVSOWDWCHY-CHWSQXEVSA-N 1 0 337.445 3.058 20 5 EGBDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000266059062 248068798 /nfs/dbraw/zinc/06/87/98/248068798.db2.gz AMPNLGRISZACBO-CYBMUJFWSA-N 1 0 344.415 3.023 20 5 EGBDRO C[N@@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C[C@@H]1CCC[C@@H]1O ZINC000091898727 218085348 /nfs/dbraw/zinc/08/53/48/218085348.db2.gz MKKNKHPPZJYPAK-BBRMVZONSA-N 1 0 347.440 3.311 20 5 EGBDRO COc1ccc([C@@H](CO)[N@H+](C)C/C=C/c2ccccc2[N+](=O)[O-])cc1 ZINC000093415352 218224902 /nfs/dbraw/zinc/22/49/02/218224902.db2.gz PYTMPHBYENJIJX-WSSFADSRSA-N 1 0 342.395 3.282 20 5 EGBDRO C[C@@H]([NH2+]Cc1cccc(C(=O)NC2CC2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000267411728 251035816 /nfs/dbraw/zinc/03/58/16/251035816.db2.gz IIKHCDURJCQYIQ-CYBMUJFWSA-N 1 0 339.395 3.338 20 5 EGBDRO Cc1nccn1CCC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000268773807 252223624 /nfs/dbraw/zinc/22/36/24/252223624.db2.gz AMYUOQQMANKJNA-KRWDZBQOSA-N 1 0 328.416 3.101 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000269451607 285092010 /nfs/dbraw/zinc/09/20/10/285092010.db2.gz VXEKDWSLHXMFFT-SMDDNHRTSA-N 1 0 336.823 3.096 20 5 EGBDRO Cc1nc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)sc1C ZINC000112532131 220344796 /nfs/dbraw/zinc/34/47/96/220344796.db2.gz PTHMJAHVQPTDMI-QWRGUYRKSA-N 1 0 348.428 3.346 20 5 EGBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+](Cc1cccs1)C1CC1 ZINC000181516638 285164665 /nfs/dbraw/zinc/16/46/65/285164665.db2.gz ODNIIODFEPHLOE-CQSZACIVSA-N 1 0 348.424 3.061 20 5 EGBDRO C[NH+](C)CC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)C(C)(C)C ZINC000116131359 220934219 /nfs/dbraw/zinc/93/42/19/220934219.db2.gz FRPIHCGOJJHIDZ-AWEZNQCLSA-N 1 0 341.839 3.344 20 5 EGBDRO CC(C)[NH+](CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C(C)C ZINC000117746521 221085117 /nfs/dbraw/zinc/08/51/17/221085117.db2.gz UZPSHEUSSAGYCU-UHFFFAOYSA-N 1 0 341.839 3.026 20 5 EGBDRO C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1cccc(C(F)(F)F)c1 ZINC000181602174 533407346 /nfs/dbraw/zinc/40/73/46/533407346.db2.gz KQVCRGXMEBDIPQ-SNVBAGLBSA-N 1 0 328.294 3.161 20 5 EGBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@H]3CCCC(F)(F)C3)CC2)n1 ZINC000338365035 141107915 /nfs/dbraw/zinc/10/79/15/141107915.db2.gz VRFMGTCHYULDQG-LBPRGKRZSA-N 1 0 328.363 3.254 20 5 EGBDRO O=C1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CN1c1ccccc1Cl ZINC000342978056 141155022 /nfs/dbraw/zinc/15/50/22/141155022.db2.gz IYWJBQXMAFYYEZ-ZDUSSCGKSA-N 1 0 345.786 3.143 20 5 EGBDRO CSc1cccc(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000188173508 144169815 /nfs/dbraw/zinc/16/98/15/144169815.db2.gz JLVVROCPPYEGPV-LLVKDONJSA-N 1 0 339.461 3.023 20 5 EGBDRO CCN(C)c1ccc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000191296232 144171568 /nfs/dbraw/zinc/17/15/68/144171568.db2.gz XIQAJMUVHMMSLA-UHFFFAOYSA-N 1 0 328.416 3.471 20 5 EGBDRO CN(c1ccccc1)c1ccc(C[NH2+][C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000344851396 144231038 /nfs/dbraw/zinc/23/10/38/144231038.db2.gz UNWAYDFYGVHRMU-HNNXBMFYSA-N 1 0 327.384 3.241 20 5 EGBDRO Cc1noc([C@H](C)[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])n1 ZINC000361600089 144335382 /nfs/dbraw/zinc/33/53/82/144335382.db2.gz BCTKAAPJAXAYGE-LNSITVRQSA-N 1 0 330.388 3.348 20 5 EGBDRO CSc1cccc(C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000363769805 144364457 /nfs/dbraw/zinc/36/44/57/144364457.db2.gz RBQGIMBWQLCUQL-ZDUSSCGKSA-N 1 0 349.456 3.017 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CCC(OC[C@@H]2CCOC2)CC1 ZINC000363856608 144372479 /nfs/dbraw/zinc/37/24/79/144372479.db2.gz XWCMZPMFYISTHI-LLCTXKFZSA-N 1 0 346.427 3.126 20 5 EGBDRO CC[C@@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccccc1 ZINC000341226924 155213868 /nfs/dbraw/zinc/21/38/68/155213868.db2.gz IBDHSGYIRCRQSX-QZTJIDSGSA-N 1 0 339.395 3.441 20 5 EGBDRO Cc1c(C[NH2+][C@H](CC(=O)N(C)C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000341450812 155299590 /nfs/dbraw/zinc/29/95/90/155299590.db2.gz JNCNDKYOZVOHNZ-QGZVFWFLSA-N 1 0 341.411 3.212 20 5 EGBDRO C[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)Cc1ccccc1 ZINC000117333251 152094184 /nfs/dbraw/zinc/09/41/84/152094184.db2.gz YRXQPWQPXXDMAP-UHFFFAOYSA-N 1 0 341.367 3.025 20 5 EGBDRO CC(C)CCSc1ccc(C(=O)NC[C@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000236601367 153453524 /nfs/dbraw/zinc/45/35/24/153453524.db2.gz RRDWLOIPDHHKBI-GFCCVEGCSA-N 1 0 339.461 3.058 20 5 EGBDRO Cc1cc([N+](=O)[O-])cnc1N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000310285044 154143178 /nfs/dbraw/zinc/14/31/78/154143178.db2.gz LZCIYLVQUPLRLO-PBHICJAKSA-N 1 0 326.400 3.373 20 5 EGBDRO Cc1cc(N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)ncc1[N+](=O)[O-] ZINC000336696977 154208858 /nfs/dbraw/zinc/20/88/58/154208858.db2.gz JDSAJIGENOGJKT-ZBFHGGJFSA-N 1 0 326.400 3.373 20 5 EGBDRO Cc1c(Cc2noc(C3CC[NH+](C4CC4)CC3)n2)cccc1[N+](=O)[O-] ZINC000346860514 156167831 /nfs/dbraw/zinc/16/78/31/156167831.db2.gz JWIMCYUATCLSFO-UHFFFAOYSA-N 1 0 342.399 3.219 20 5 EGBDRO C[NH+](C)CCN(Cc1ccc([N+](=O)[O-])cc1)Cc1ccc(F)c(F)c1 ZINC000349065100 156340598 /nfs/dbraw/zinc/34/05/98/156340598.db2.gz XKAUILQMCPSDFQ-UHFFFAOYSA-N 1 0 349.381 3.437 20 5 EGBDRO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000365229486 157094504 /nfs/dbraw/zinc/09/45/04/157094504.db2.gz UHQWQPDNUNDSLR-SNVBAGLBSA-N 1 0 349.778 3.383 20 5 EGBDRO CCC[NH+]1CCC(NC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000085638635 161859663 /nfs/dbraw/zinc/85/96/63/161859663.db2.gz XEFYBSFHDAEWLQ-UHFFFAOYSA-N 1 0 334.420 3.208 20 5 EGBDRO CC(C)C[N@H+](CC(N)=O)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000092011475 161947101 /nfs/dbraw/zinc/94/71/01/161947101.db2.gz USYDUUDQGFUVJX-UHFFFAOYSA-N 1 0 347.440 3.267 20 5 EGBDRO Cc1cc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)ccc1F ZINC000093534420 162015540 /nfs/dbraw/zinc/01/55/40/162015540.db2.gz GGNXKFWOZVTDMA-CQSZACIVSA-N 1 0 330.363 3.124 20 5 EGBDRO C[NH+](C)[C@H](CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccccc1 ZINC000110166610 162120296 /nfs/dbraw/zinc/12/02/96/162120296.db2.gz ZIHMAWUJPBZNGE-OAHLLOKOSA-N 1 0 347.802 3.281 20 5 EGBDRO CCC[C@@H](O)C[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000112377244 162173783 /nfs/dbraw/zinc/17/37/83/162173783.db2.gz KFCKMMNCBNJBIZ-GFCCVEGCSA-N 1 0 334.372 3.114 20 5 EGBDRO Cc1nccn1-c1ccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000126458673 162304444 /nfs/dbraw/zinc/30/44/44/162304444.db2.gz TVJOHOOEZLGJLQ-ZDUSSCGKSA-N 1 0 337.383 3.335 20 5 EGBDRO O=C(CC[N@@H+]1CC[C@@H]1Cc1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000337035889 163110423 /nfs/dbraw/zinc/11/04/23/163110423.db2.gz ISWXGCQGNBWFAQ-MRXNPFEDSA-N 1 0 339.395 3.240 20 5 EGBDRO CC(C)(C)CCC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000337193328 163159438 /nfs/dbraw/zinc/15/94/38/163159438.db2.gz VHZQAVHTAXYJKA-UHFFFAOYSA-N 1 0 333.432 3.179 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000337269170 163187988 /nfs/dbraw/zinc/18/79/88/163187988.db2.gz YJMARPUYUOHTIY-UHFFFAOYSA-N 1 0 343.383 3.096 20 5 EGBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N(CC)CCC[NH+](C)C ZINC000338898283 163378444 /nfs/dbraw/zinc/37/84/44/163378444.db2.gz DVLZOUVKZYXUTH-UHFFFAOYSA-N 1 0 339.461 3.121 20 5 EGBDRO C[C@H]1CCC[C@](CNC(=O)Nc2cccc([N+](=O)[O-])c2)([NH+](C)C)C1 ZINC000339102817 163467989 /nfs/dbraw/zinc/46/79/89/163467989.db2.gz UYTYEUKSAHPBCC-GUYCJALGSA-N 1 0 334.420 3.227 20 5 EGBDRO CC(C)c1ccc(C[NH2+][C@H](C2CC2)[C@@]2(CO)CCCO2)cc1[N+](=O)[O-] ZINC000354724082 166017769 /nfs/dbraw/zinc/01/77/69/166017769.db2.gz RRTAFNOYLGSSHH-MOPGFXCFSA-N 1 0 348.443 3.128 20 5 EGBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000344203275 164125702 /nfs/dbraw/zinc/12/57/02/164125702.db2.gz CZMQZPPEKABCDL-ZENOOKHLSA-N 1 0 349.406 3.211 20 5 EGBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CCC2CCOCC2)c1 ZINC000344307902 164151324 /nfs/dbraw/zinc/15/13/24/164151324.db2.gz MYMZKLKIDGQRSH-UHFFFAOYSA-N 1 0 330.331 3.103 20 5 EGBDRO C[C@H]1[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCCN1C ZINC000344318301 164155166 /nfs/dbraw/zinc/15/51/66/164155166.db2.gz AMCHKVKSDLLHSD-SUMWQHHRSA-N 1 0 329.400 3.427 20 5 EGBDRO C[C@H]1[C@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCCN1C ZINC000344327199 164157834 /nfs/dbraw/zinc/15/78/34/164157834.db2.gz OKVITXHJDULZOZ-BLLLJJGKSA-N 1 0 346.456 3.291 20 5 EGBDRO CC(C)[C@H](O)CC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000344441679 164179136 /nfs/dbraw/zinc/17/91/36/164179136.db2.gz ILCUKFFKALAYPD-OAHLLOKOSA-N 1 0 335.429 3.215 20 5 EGBDRO CC[N@@H+]1CC[C@H](N(C)c2nc3ccccc3cc2[N+](=O)[O-])C[C@@H]1C ZINC000352357834 165361168 /nfs/dbraw/zinc/36/11/68/165361168.db2.gz UNJKLWBVVXNUKM-ZFWWWQNUSA-N 1 0 328.416 3.452 20 5 EGBDRO O=C(NCCC[NH+]1CCCCCC1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000357681943 166743341 /nfs/dbraw/zinc/74/33/41/166743341.db2.gz NTBIEXXZJIHSMI-UHFFFAOYSA-N 1 0 344.415 3.072 20 5 EGBDRO CCn1nc(C)c([N+](=O)[O-])c1NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000358951198 167017080 /nfs/dbraw/zinc/01/70/80/167017080.db2.gz LQYIBUUFJFFIPU-ZIAGYGMSSA-N 1 0 337.468 3.290 20 5 EGBDRO Cn1cc2c(n1)CCC[C@H]2[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000358963227 167020734 /nfs/dbraw/zinc/02/07/34/167020734.db2.gz JBUCGDPJROBGJF-QGZVFWFLSA-N 1 0 328.416 3.318 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000359083110 167062772 /nfs/dbraw/zinc/06/27/72/167062772.db2.gz NJTBEGQLCBAFSL-INIZCTEOSA-N 1 0 340.427 3.317 20 5 EGBDRO C[C@H](C[NH+]1CCCCCC1)NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000359329997 167126898 /nfs/dbraw/zinc/12/68/98/167126898.db2.gz NFHYVSRQHLFDDL-CYBMUJFWSA-N 1 0 344.415 3.070 20 5 EGBDRO CCC1(CC)[C@H]([NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H]1OC ZINC000359429673 167154192 /nfs/dbraw/zinc/15/41/92/167154192.db2.gz RBHCZJZQRIVATJ-DAXOMENPSA-N 1 0 349.431 3.105 20 5 EGBDRO CC[C@H](C)[NH2+][C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(C)c1)c1ccco1 ZINC000359547374 167188753 /nfs/dbraw/zinc/18/87/53/167188753.db2.gz SAUNZVDCDXHWPQ-ZFWWWQNUSA-N 1 0 345.399 3.355 20 5 EGBDRO C[C@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC12CCCCC2 ZINC000360630453 167374364 /nfs/dbraw/zinc/37/43/64/167374364.db2.gz WGMXBVJMYGHUCM-AWEZNQCLSA-N 1 0 345.443 3.486 20 5 EGBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000367716318 168262478 /nfs/dbraw/zinc/26/24/78/168262478.db2.gz OOCUPFFLWCYJGL-UHFFFAOYSA-N 1 0 331.416 3.252 20 5 EGBDRO C[NH+](C)CCN(Cc1cccs1)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000154019901 264802066 /nfs/dbraw/zinc/80/20/66/264802066.db2.gz RKPUZPGCMBVQRR-UHFFFAOYSA-N 1 0 340.836 3.273 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000163019172 264913346 /nfs/dbraw/zinc/91/33/46/264913346.db2.gz YXAUEKZAXYHKLV-OAHLLOKOSA-N 1 0 346.431 3.289 20 5 EGBDRO CCc1ccc(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1[N+](=O)[O-] ZINC000175282271 265105919 /nfs/dbraw/zinc/10/59/19/265105919.db2.gz TYBRVOFPCWDPFE-UHFFFAOYSA-N 1 0 333.432 3.196 20 5 EGBDRO CC[C@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)CC[C@@H]1c1ccccc1 ZINC000176287628 265167024 /nfs/dbraw/zinc/16/70/24/265167024.db2.gz RTVSOYBPMWCLEX-RDJZCZTQSA-N 1 0 328.416 3.307 20 5 EGBDRO Cc1cnc(NC[C@H]2CC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000192954538 266000130 /nfs/dbraw/zinc/00/01/30/266000130.db2.gz UMUCDAUVSPPHQJ-MRXNPFEDSA-N 1 0 326.400 3.232 20 5 EGBDRO Cc1cc(N[C@H](C)Cn2ccnc2)c(Br)cc1[N+](=O)[O-] ZINC000235501929 266207920 /nfs/dbraw/zinc/20/79/20/266207920.db2.gz FTVWRXUBITWNKM-SNVBAGLBSA-N 1 0 339.193 3.363 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CC[C@@H](c3cccc(F)c3)C2)c1 ZINC000269643083 266332339 /nfs/dbraw/zinc/33/23/39/266332339.db2.gz JUASXUHSMLDXHD-QAPCUYQASA-N 1 0 330.359 3.257 20 5 EGBDRO Cc1ccc(C)n1C1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000269656932 266335354 /nfs/dbraw/zinc/33/53/54/266335354.db2.gz OURJGLQPWXDIBO-IBGZPJMESA-N 1 0 343.427 3.384 20 5 EGBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])[C@@]12CCCO2 ZINC000273547316 267056711 /nfs/dbraw/zinc/05/67/11/267056711.db2.gz CECZSVOEHGQPOY-OAGGEKHMSA-N 1 0 340.807 3.064 20 5 EGBDRO C[C@H](CNC(=O)OC(C)(C)C)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000274435955 267237045 /nfs/dbraw/zinc/23/70/45/267237045.db2.gz SXHOEXDKEUYDQA-SNVBAGLBSA-N 1 0 343.811 3.251 20 5 EGBDRO Cc1cc(NC(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)ccc1[N+](=O)[O-] ZINC000274793556 267287949 /nfs/dbraw/zinc/28/79/49/267287949.db2.gz IOWBXUQVJHIZAF-HNNXBMFYSA-N 1 0 346.431 3.099 20 5 EGBDRO CCC[C@@H]([NH2+]CCCCCS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000274821718 267292227 /nfs/dbraw/zinc/29/22/27/267292227.db2.gz YJQSQMUIMVKHJP-MRXNPFEDSA-N 1 0 342.461 3.241 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+]C2CCN(c3cccnn3)CC2)cc1[N+](=O)[O-] ZINC000277063394 267686487 /nfs/dbraw/zinc/68/64/87/267686487.db2.gz IEPMBFUFMYSOCC-CQSZACIVSA-N 1 0 341.415 3.013 20 5 EGBDRO CC(C)c1ccc([C@@H]([NH3+])CNC(=O)c2ccc(F)cc2[N+](=O)[O-])cc1 ZINC000236733789 273563533 /nfs/dbraw/zinc/56/35/33/273563533.db2.gz RTRNERBJSXKJBM-INIZCTEOSA-N 1 0 345.374 3.287 20 5 EGBDRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000345680598 287681174 /nfs/dbraw/zinc/68/11/74/287681174.db2.gz FQCYWAHXMOEACX-XNJGSVPQSA-N 1 0 349.456 3.042 20 5 EGBDRO O=[N+]([O-])c1cc(Br)ccc1N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000049568928 275032927 /nfs/dbraw/zinc/03/29/27/275032927.db2.gz FJYVZQBSGKICOJ-CHWSQXEVSA-N 1 0 340.221 3.396 20 5 EGBDRO O=[N+]([O-])c1cc(Br)ccc1N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000219298578 275032946 /nfs/dbraw/zinc/03/29/46/275032946.db2.gz FJYVZQBSGKICOJ-STQMWFEESA-N 1 0 340.221 3.396 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](Cc2ccccn2)c2cccnc2)cc1 ZINC000358016513 275035705 /nfs/dbraw/zinc/03/57/05/275035705.db2.gz FYVYRMPOGSWIBI-LJQANCHMSA-N 1 0 334.379 3.458 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCc1cn3c(n1)CCCC3)CCC2 ZINC000365197303 275037951 /nfs/dbraw/zinc/03/79/51/275037951.db2.gz NHRGIICNWUPYLY-SFHVURJKSA-N 1 0 340.427 3.337 20 5 EGBDRO Cc1noc(CCC[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)n1 ZINC000278978478 275292992 /nfs/dbraw/zinc/29/29/92/275292992.db2.gz CUFOAAFBTFGPOZ-OAHLLOKOSA-N 1 0 330.388 3.231 20 5 EGBDRO CC(=O)Nc1ccc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cn1 ZINC000279188776 275311028 /nfs/dbraw/zinc/31/10/28/275311028.db2.gz WGAHNIQPWFBYLM-GFCCVEGCSA-N 1 0 328.372 3.107 20 5 EGBDRO CC[C@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000279366531 275325740 /nfs/dbraw/zinc/32/57/40/275325740.db2.gz WSTQVCWRCWCKPM-GXFFZTMASA-N 1 0 325.796 3.355 20 5 EGBDRO CC[N@@H+]1CC[C@H](NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[C@@H](C)C1 ZINC000279609682 275343818 /nfs/dbraw/zinc/34/38/18/275343818.db2.gz XGUMQDTWKJUFKR-NHYWBVRUSA-N 1 0 345.365 3.434 20 5 EGBDRO C[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2Cl)CC2(CCOCC2)O1 ZINC000279823006 275362997 /nfs/dbraw/zinc/36/29/97/275362997.db2.gz QOGOJUYENQXARW-GFCCVEGCSA-N 1 0 340.807 3.018 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@]2(CO)CCCc3ccccc32)cc1F ZINC000282548394 275646094 /nfs/dbraw/zinc/64/60/94/275646094.db2.gz SDPJITDTGKRYGZ-GOSISDBHSA-N 1 0 330.359 3.048 20 5 EGBDRO C[C@H]([NH2+][C@H](CCCO)c1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283842886 275756171 /nfs/dbraw/zinc/75/61/71/275756171.db2.gz AYJTTXOTYQUQLD-SUMWQHHRSA-N 1 0 329.400 3.341 20 5 EGBDRO C[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1CCC(F)(F)CC1 ZINC000286727008 276037306 /nfs/dbraw/zinc/03/73/06/276037306.db2.gz GWYHMZVYJBCPFD-UHFFFAOYSA-N 1 0 342.342 3.471 20 5 EGBDRO CCCN(CC[NH+]1CCCC1)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000287225090 276098385 /nfs/dbraw/zinc/09/83/85/276098385.db2.gz IVUOKFZEQXCZOJ-UHFFFAOYSA-N 1 0 345.399 3.289 20 5 EGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1ncccc1N(C)C ZINC000289618952 276367131 /nfs/dbraw/zinc/36/71/31/276367131.db2.gz DMBIOCBMUNTKNM-AWEZNQCLSA-N 1 0 328.416 3.167 20 5 EGBDRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000122789460 277201938 /nfs/dbraw/zinc/20/19/38/277201938.db2.gz NNHPBKGAJLMZDP-UONOGXRCSA-N 1 0 335.404 3.130 20 5 EGBDRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000347246929 278255246 /nfs/dbraw/zinc/25/52/46/278255246.db2.gz ANMWUTDUCOXPRY-LBPRGKRZSA-N 1 0 338.383 3.120 20 5 EGBDRO CCN(CC[NH+]1CCCCCC1)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000346326381 279188044 /nfs/dbraw/zinc/18/80/44/279188044.db2.gz YBSCQDXWWIRARK-UHFFFAOYSA-N 1 0 337.395 3.072 20 5 EGBDRO C[C@H](CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)[N@@H+]1CCCC[C@@H]1C ZINC000339004321 279354909 /nfs/dbraw/zinc/35/49/09/279354909.db2.gz RDZLRNTVMOXHPK-QWHCGFSZSA-N 1 0 346.431 3.154 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000195066183 281258624 /nfs/dbraw/zinc/25/86/24/281258624.db2.gz YKQPYJCNHANLMD-OAHLLOKOSA-N 1 0 341.411 3.154 20 5 EGBDRO CC(C)(C)OC(=O)NC[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000072037881 307378834 /nfs/dbraw/zinc/37/88/34/307378834.db2.gz CXGRGMKJCLEFNH-OAHLLOKOSA-N 1 0 349.431 3.332 20 5 EGBDRO CC(C)[NH+]1CCC(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000073891473 307389356 /nfs/dbraw/zinc/38/93/56/307389356.db2.gz JTMHYTAFOJUNBF-UHFFFAOYSA-N 1 0 347.459 3.154 20 5 EGBDRO CC[C@H]([NH2+][C@H]1CCN(c2ccccc2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000090068874 307457434 /nfs/dbraw/zinc/45/74/34/307457434.db2.gz NJTNAFMFONJKLU-ROUUACIJSA-N 1 0 339.395 3.441 20 5 EGBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@H]2CCCC[C@@H]2Cc2ccccc2)n1 ZINC000119035151 307489636 /nfs/dbraw/zinc/48/96/36/307489636.db2.gz STSXXFHVRKPSGI-SJORKVTESA-N 1 0 328.416 3.182 20 5 EGBDRO Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)nc1C ZINC000414161585 309064123 /nfs/dbraw/zinc/06/41/23/309064123.db2.gz FRWAANCTQDLPCF-HZPDHXFCSA-N 1 0 329.404 3.077 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@H]1CCCC(F)(F)[C@@H]1O)CCC2 ZINC000414300909 309071535 /nfs/dbraw/zinc/07/15/35/309071535.db2.gz MKVCFLNLQXXZFE-SOUVJXGZSA-N 1 0 326.343 3.111 20 5 EGBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)[C@H](CC)Cc1ccc([N+](=O)[O-])cc1 ZINC000248736856 308010499 /nfs/dbraw/zinc/01/04/99/308010499.db2.gz DSHDVUHKZJCLBG-GDBMZVCRSA-N 1 0 335.448 3.010 20 5 EGBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000248770855 308011408 /nfs/dbraw/zinc/01/14/08/308011408.db2.gz HIAKBUWFJMTJSF-NVXWUHKLSA-N 1 0 347.459 3.012 20 5 EGBDRO COc1cc(C[NH2+]C[C@H](C)CC(F)(F)F)c([N+](=O)[O-])cc1OC ZINC000414522780 309086250 /nfs/dbraw/zinc/08/62/50/309086250.db2.gz DOYLKUFLOVLWTB-SECBINFHSA-N 1 0 336.310 3.290 20 5 EGBDRO CC(C)NC(=O)[C@H](C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000414540160 309087451 /nfs/dbraw/zinc/08/74/51/309087451.db2.gz FYEBBPKBBJXLHC-LBPRGKRZSA-N 1 0 347.440 3.326 20 5 EGBDRO Cc1ncsc1CC[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000294722765 308249729 /nfs/dbraw/zinc/24/97/29/308249729.db2.gz CQHQMGIJQKEXOK-UHFFFAOYSA-N 1 0 343.355 3.293 20 5 EGBDRO C[C@H](NC1CC[NH+](C2CCCC2)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294941178 308274250 /nfs/dbraw/zinc/27/42/50/308274250.db2.gz YBJFIHPKUHGMRN-ZDUSSCGKSA-N 1 0 332.448 3.235 20 5 EGBDRO Cc1cccnc1CCCNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000294975611 308277915 /nfs/dbraw/zinc/27/79/15/308277915.db2.gz LJLOVCJRKAYTKL-UHFFFAOYSA-N 1 0 340.383 3.228 20 5 EGBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCC(CF)CC1 ZINC000295193341 308301493 /nfs/dbraw/zinc/30/14/93/308301493.db2.gz UBOFHGJMYNHYCF-NSHDSACASA-N 1 0 334.351 3.387 20 5 EGBDRO C[C@H]1[C@H](CO)CCC[N@@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000414589274 309091072 /nfs/dbraw/zinc/09/10/72/309091072.db2.gz WPUNRZILZKATRI-JSGCOSHPSA-N 1 0 347.440 3.311 20 5 EGBDRO C[C@@H]1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@@H](C[NH3+])C1 ZINC000414768041 309099631 /nfs/dbraw/zinc/09/96/31/309099631.db2.gz KVBXONQRGWSWNW-MLGOLLRUSA-N 1 0 346.456 3.278 20 5 EGBDRO C[NH+](C)[C@@H](CNc1ccc(Br)cc1[N+](=O)[O-])C1CC1 ZINC000301181237 308690985 /nfs/dbraw/zinc/69/09/85/308690985.db2.gz HWSCKOOSFJPPJQ-ZDUSSCGKSA-N 1 0 328.210 3.109 20 5 EGBDRO CC[NH2+]CCNCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000414834213 309104690 /nfs/dbraw/zinc/10/46/90/309104690.db2.gz SXXFJDOOJXTATH-UHFFFAOYSA-N 1 0 333.363 3.225 20 5 EGBDRO Cc1nc(NCC2([NH+]3CCSCC3)CCCC2)ccc1[N+](=O)[O-] ZINC000301617452 308707500 /nfs/dbraw/zinc/70/75/00/308707500.db2.gz CNQRMUFASLXYRQ-UHFFFAOYSA-N 1 0 336.461 3.072 20 5 EGBDRO Cc1nc(CC[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)sc1C ZINC000331523566 308809351 /nfs/dbraw/zinc/80/93/51/308809351.db2.gz WENCJNYTLNPWLL-ZIAGYGMSSA-N 1 0 349.460 3.181 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000332364086 308835337 /nfs/dbraw/zinc/83/53/37/308835337.db2.gz DGMMMHMTLWZBSA-CABCVRRESA-N 1 0 346.431 3.065 20 5 EGBDRO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)N(C)c1ccccc1 ZINC000411461822 308940006 /nfs/dbraw/zinc/94/00/06/308940006.db2.gz UBXQOJHOXSHJGW-ZIAGYGMSSA-N 1 0 327.384 3.297 20 5 EGBDRO CC(C)[N@@H+]1CCCC[C@@H]1Cn1cc([N+](=O)[O-])c(=O)c2ccccc21 ZINC000413002498 309011594 /nfs/dbraw/zinc/01/15/94/309011594.db2.gz NSJBJGHOXLCWPU-CQSZACIVSA-N 1 0 329.400 3.173 20 5 EGBDRO O=[N+]([O-])c1cnc(N2CC[NH+](C3CCCC3)CC2)c(C(F)(F)F)c1 ZINC000413036004 309012753 /nfs/dbraw/zinc/01/27/53/309012753.db2.gz DDJAYPOMAUWUOK-UHFFFAOYSA-N 1 0 344.337 3.073 20 5 EGBDRO CC(C)[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000413095217 309015830 /nfs/dbraw/zinc/01/58/30/309015830.db2.gz ROGRJJUVTCZUAM-ZWKOTPCHSA-N 1 0 345.443 3.030 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CC[C@@H](C[NH+]3CCCC3)C2)c2cccnc21 ZINC000413148579 309018354 /nfs/dbraw/zinc/01/83/54/309018354.db2.gz AIJCSTQHLDBZJU-AWEZNQCLSA-N 1 0 326.400 3.065 20 5 EGBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1Nc1ncc([N+](=O)[O-])cc1F ZINC000413238346 309023099 /nfs/dbraw/zinc/02/30/99/309023099.db2.gz SSTUPUXSNQVHKJ-MLGOLLRUSA-N 1 0 330.363 3.061 20 5 EGBDRO C[C@@H]1C[N@H+](CCCNc2ccc([N+](=O)[O-])c3ncccc23)CCCO1 ZINC000413259228 309024040 /nfs/dbraw/zinc/02/40/40/309024040.db2.gz FVENIGZYJKVZIA-CQSZACIVSA-N 1 0 344.415 3.056 20 5 EGBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(c2ccc([N+](=O)[O-])c3ncccc23)C[C@@H](C)C1 ZINC000413306190 309025990 /nfs/dbraw/zinc/02/59/90/309025990.db2.gz UTWQSJOKOLCQCV-HBUWYVDXSA-N 1 0 340.427 3.310 20 5 EGBDRO CCc1ccccc1[C@H](N)C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000415063980 309117765 /nfs/dbraw/zinc/11/77/65/309117765.db2.gz JMQBOGPNBNZOPT-IEODJVTJSA-N 1 0 325.412 3.460 20 5 EGBDRO CC[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@@H]1CC1(C)C ZINC000419317430 309264329 /nfs/dbraw/zinc/26/43/29/309264329.db2.gz MTYGUGIFFBBLJY-KBPBESRZSA-N 1 0 349.431 3.346 20 5 EGBDRO C[NH+](C)C1CCC(Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CC1 ZINC000420627993 309290905 /nfs/dbraw/zinc/29/09/05/309290905.db2.gz ONWKTAGYVXIOOF-UHFFFAOYSA-N 1 0 346.456 3.425 20 5 EGBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@]1(C)Cc1ccc(F)cc1 ZINC000420922863 309301457 /nfs/dbraw/zinc/30/14/57/309301457.db2.gz GMQOLQPDLGASEA-QGZVFWFLSA-N 1 0 332.379 3.065 20 5 EGBDRO C[C@H]1C[C@H](CO)C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000421362618 309320297 /nfs/dbraw/zinc/32/02/97/309320297.db2.gz NSJDYTDTMNFQMR-KBPBESRZSA-N 1 0 330.384 3.305 20 5 EGBDRO CN(Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C[C@H]1CCC[N@@H+]1C ZINC000421411257 309323597 /nfs/dbraw/zinc/32/35/97/309323597.db2.gz QLJUCMNYWXDTAA-MRXNPFEDSA-N 1 0 346.456 3.244 20 5 EGBDRO CC[C@H](O)C[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000422093364 309354635 /nfs/dbraw/zinc/35/46/35/309354635.db2.gz YORWHRKMKCQEHO-INIZCTEOSA-N 1 0 329.400 3.223 20 5 EGBDRO [NH3+][C@H]1CCCCC[C@H]1NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000423091489 309385407 /nfs/dbraw/zinc/38/54/07/309385407.db2.gz XFHHUJVWSFKHAS-UONOGXRCSA-N 1 0 331.338 3.363 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1NC[C@H](O)C[NH+]1CCCCC1 ZINC000429212044 309574010 /nfs/dbraw/zinc/57/40/10/309574010.db2.gz NBBCKFRZEBFNSU-NSHDSACASA-N 1 0 348.230 3.160 20 5 EGBDRO Cc1ccc(C(=O)NCC2CC[NH+](CCC(C)C)CC2)cc1[N+](=O)[O-] ZINC000430893062 309620247 /nfs/dbraw/zinc/62/02/47/309620247.db2.gz HOTHCTDTXYECHO-UHFFFAOYSA-N 1 0 347.459 3.391 20 5 EGBDRO CC1(C)C[C@H]([NH2+][C@@H]2CCc3n[nH]cc3C2)c2cc([N+](=O)[O-])ccc21 ZINC000433222103 309682619 /nfs/dbraw/zinc/68/26/19/309682619.db2.gz SZIABIDOVBDAGZ-PXAZEXFGSA-N 1 0 326.400 3.187 20 5 EGBDRO C[NH+](C)[C@H]1CCC[C@@H](Nc2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000436384549 309754313 /nfs/dbraw/zinc/75/43/13/309754313.db2.gz GKVLKYYWDLPOCX-ZJUUUORDSA-N 1 0 332.326 3.293 20 5 EGBDRO CC[NH+](CC)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437209883 309788573 /nfs/dbraw/zinc/78/85/73/309788573.db2.gz YRBZLKYOZZNCCR-SNVBAGLBSA-N 1 0 347.337 3.074 20 5 EGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCCOc2ccccc2)n1 ZINC000447532986 309980948 /nfs/dbraw/zinc/98/09/48/309980948.db2.gz YFMULLMVBKNMOT-DLBZAZTESA-N 1 0 344.415 3.334 20 5 EGBDRO Cc1cccc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1F ZINC000449028695 310030825 /nfs/dbraw/zinc/03/08/25/310030825.db2.gz MJVCLXWXTXDJCJ-AWEZNQCLSA-N 1 0 330.363 3.124 20 5 EGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccc(C(=O)N(C)C)c1 ZINC000449073470 310034908 /nfs/dbraw/zinc/03/49/08/310034908.db2.gz NHLRDMGQNKVZRG-CQSZACIVSA-N 1 0 341.411 3.017 20 5 EGBDRO COc1ccc(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000449091922 310036359 /nfs/dbraw/zinc/03/63/59/310036359.db2.gz ROIWYPYBBRWGOA-ZDUSSCGKSA-N 1 0 330.384 3.333 20 5 EGBDRO COc1ccc(CC[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000449104903 310037411 /nfs/dbraw/zinc/03/74/11/310037411.db2.gz GUWMDWJUJAPWSB-AWEZNQCLSA-N 1 0 344.411 3.375 20 5 EGBDRO Cc1cccc2c1OC[C@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])C2 ZINC000449332151 310054210 /nfs/dbraw/zinc/05/42/10/310054210.db2.gz BVQDUJZRAIOILP-WMLDXEAASA-N 1 0 326.396 3.428 20 5 EGBDRO COc1ccc(-c2ccc(C[NH2+]CC[C@@H](C)CCO)o2)c([N+](=O)[O-])c1 ZINC000449356399 310056216 /nfs/dbraw/zinc/05/62/16/310056216.db2.gz HOLXYDVORBIGSO-CYBMUJFWSA-N 1 0 348.399 3.362 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](O)Cc1cccc(F)c1 ZINC000449362875 310056747 /nfs/dbraw/zinc/05/67/47/310056747.db2.gz NXURTPIKJJWALF-YXZIBZLCSA-N 1 0 344.386 3.330 20 5 EGBDRO Cc1ccc(OC[C@H](O)C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000451099579 310160489 /nfs/dbraw/zinc/16/04/89/310160489.db2.gz MMEIUSJJHLOSRT-MAUKXSAKSA-N 1 0 344.411 3.302 20 5 EGBDRO C[C@H]([NH2+]CC(=O)N1c2ccccc2C[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000451100998 310160531 /nfs/dbraw/zinc/16/05/31/310160531.db2.gz ZXQMEVGIEHRPRW-KGLIPLIRSA-N 1 0 339.395 3.223 20 5 EGBDRO Cc1c(CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)cccc1[N+](=O)[O-] ZINC000451126611 310161843 /nfs/dbraw/zinc/16/18/43/310161843.db2.gz DOGBTMRCXSLYLJ-GOSISDBHSA-N 1 0 345.443 3.317 20 5 EGBDRO Cc1cc([C@@H](C)[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)ccc1F ZINC000451164938 310163693 /nfs/dbraw/zinc/16/36/93/310163693.db2.gz TVCYPHKQOWXEFA-CZUORRHYSA-N 1 0 348.374 3.133 20 5 EGBDRO CO[C@@]1(C)C[C@H]([NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1(C)C ZINC000451481687 310180554 /nfs/dbraw/zinc/18/05/54/310180554.db2.gz BGJSBHIPNCIPNT-YJBOKZPZSA-N 1 0 349.431 3.025 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H]1C[C@H](OC(C)C)C1(C)C ZINC000451488603 310181003 /nfs/dbraw/zinc/18/10/03/310181003.db2.gz BDYROFRLMWCHLX-CVEARBPZSA-N 1 0 349.431 3.023 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1C[C@H](OC(C)C)C1(C)C ZINC000451508478 310181833 /nfs/dbraw/zinc/18/18/33/310181833.db2.gz XHSJWYODXDNAHB-CVEARBPZSA-N 1 0 349.431 3.023 20 5 EGBDRO C[C@H]1CCCN(C(=O)C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000451559584 310186515 /nfs/dbraw/zinc/18/65/15/310186515.db2.gz HHENQPSHHWIUSW-RDJZCZTQSA-N 1 0 345.443 3.033 20 5 EGBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@]2(CCSC2)C1 ZINC000451959524 310205211 /nfs/dbraw/zinc/20/52/11/310205211.db2.gz BBZMTCWMTZOHEN-DYVFJYSZSA-N 1 0 349.456 3.141 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1[C@H](C)CCC1(C)C ZINC000452014843 310207542 /nfs/dbraw/zinc/20/75/42/310207542.db2.gz UOJBUNRSQDNJCZ-GFCCVEGCSA-N 1 0 335.404 3.195 20 5 EGBDRO CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452834588 310244511 /nfs/dbraw/zinc/24/45/11/310244511.db2.gz BNBNGFZLYZMFQN-ZBFHGGJFSA-N 1 0 347.459 3.468 20 5 EGBDRO C[C@H]([NH2+][C@@H](C)c1ccc2c(c1)OCC(=O)N2)c1ccc([N+](=O)[O-])cc1 ZINC000453226894 310265316 /nfs/dbraw/zinc/26/53/16/310265316.db2.gz PQLDSCDTTFRMFC-RYUDHWBXSA-N 1 0 341.367 3.338 20 5 EGBDRO COc1ccc(C[NH2+][C@@H](C(C)C)C2(CO)CCCC2)cc1[N+](=O)[O-] ZINC000453621147 310285007 /nfs/dbraw/zinc/28/50/07/310285007.db2.gz UABXWEHHIMPZIM-KRWDZBQOSA-N 1 0 336.432 3.270 20 5 EGBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000454656595 310322423 /nfs/dbraw/zinc/32/24/23/310322423.db2.gz ZOJWASAJZUIUNG-ZNMIVQPWSA-N 1 0 348.447 3.075 20 5 EGBDRO CCOC(=O)c1cc(N(C)C2CC[NH+](C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000467739248 310677438 /nfs/dbraw/zinc/67/74/38/310677438.db2.gz FALGAVDQYAKQBK-UHFFFAOYSA-N 1 0 349.431 3.081 20 5 EGBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)[C@@H]1Oc1ccccc1 ZINC000480192335 310891032 /nfs/dbraw/zinc/89/10/32/310891032.db2.gz CIDJMSBOQSFFHE-QRVBRYPASA-N 1 0 342.395 3.309 20 5 EGBDRO Cc1cc(N2C[C@H](C)O[C@@H](C3CC3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000480381590 310893606 /nfs/dbraw/zinc/89/36/06/310893606.db2.gz GZVZBLVROJFKFQ-KPZWWZAWSA-N 1 0 327.384 3.455 20 5 EGBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H]2CC[C@@H](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000481187453 310908221 /nfs/dbraw/zinc/90/82/21/310908221.db2.gz GKGDEMHBVQIROE-VNHYZAJKSA-N 1 0 349.431 3.346 20 5 EGBDRO CO[C@@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C[C@@H]1OC ZINC000488562987 311071378 /nfs/dbraw/zinc/07/13/78/311071378.db2.gz SXJUCJOKPIEQBF-IYBDPMFKSA-N 1 0 348.424 3.169 20 5 EGBDRO CO[C@@H]1C[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C[C@H]1OC ZINC000488585255 311072266 /nfs/dbraw/zinc/07/22/66/311072266.db2.gz SXJUCJOKPIEQBF-HZPDHXFCSA-N 1 0 348.424 3.169 20 5 EGBDRO CCOc1cc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000488716847 311075980 /nfs/dbraw/zinc/07/59/80/311075980.db2.gz RRVXSWRGPJAYCM-CQSZACIVSA-N 1 0 333.432 3.304 20 5 EGBDRO COc1ccc(C[N@H+](C)CCOc2ccccc2[N+](=O)[O-])cc1C ZINC000489219079 311095983 /nfs/dbraw/zinc/09/59/83/311095983.db2.gz BRQQGFWYXKSQHZ-UHFFFAOYSA-N 1 0 330.384 3.423 20 5 EGBDRO CCCCN(CC)C(=O)CN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000490046074 311131018 /nfs/dbraw/zinc/13/10/18/311131018.db2.gz CAHBOVBGVYDFRX-UHFFFAOYSA-N 1 0 333.432 3.208 20 5 EGBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])C[C@H]1C ZINC000491913640 311198008 /nfs/dbraw/zinc/19/80/08/311198008.db2.gz LTNCTXNRJOYSGK-ROPFJZTFSA-N 1 0 349.406 3.078 20 5 EGBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])C[C@H]1C ZINC000491913639 311198139 /nfs/dbraw/zinc/19/81/39/311198139.db2.gz LTNCTXNRJOYSGK-PSYXSKQDSA-N 1 0 349.406 3.078 20 5 EGBDRO COC(=O)N1CCC([C@@H](C)[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000492200790 311225845 /nfs/dbraw/zinc/22/58/45/311225845.db2.gz KJFPMJFRADAGFF-CHWSQXEVSA-N 1 0 335.404 3.112 20 5 EGBDRO CC(C)(C)OC(=O)NCCCC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000496381204 311705278 /nfs/dbraw/zinc/70/52/78/311705278.db2.gz KVDDIKMTDJRAGF-OAHLLOKOSA-N 1 0 349.431 3.477 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C\CN1CC[NH+](Cc2cccs2)CC1 ZINC000506036167 312040927 /nfs/dbraw/zinc/04/09/27/312040927.db2.gz XCXUTKPOIPOCBS-UTCJRWHESA-N 1 0 343.452 3.487 20 5 EGBDRO C[N@H+](CCC1CCCCC1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000507581713 312078322 /nfs/dbraw/zinc/07/83/22/312078322.db2.gz CYXQPOPANHQYLG-QGZVFWFLSA-N 1 0 336.432 3.237 20 5 EGBDRO CCOC(=O)C(C)(C)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000510082153 312132363 /nfs/dbraw/zinc/13/23/63/312132363.db2.gz CZHYDEIZQMNLHB-UHFFFAOYSA-N 1 0 334.416 3.396 20 5 EGBDRO CC(C)C[C@H]1C[C@@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000516966616 312355043 /nfs/dbraw/zinc/35/50/43/312355043.db2.gz WBTNYOXHNAVFOW-GJZGRUSLSA-N 1 0 349.431 3.107 20 5 EGBDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000517560443 312383569 /nfs/dbraw/zinc/38/35/69/312383569.db2.gz YNUTUWJWHCLLQV-ZIAGYGMSSA-N 1 0 348.447 3.473 20 5 EGBDRO C[NH+](C)[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000531068404 313622588 /nfs/dbraw/zinc/62/25/88/313622588.db2.gz ZSQZECOFBIXALC-INIZCTEOSA-N 1 0 347.802 3.281 20 5 EGBDRO CNC(=O)c1cccc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000532475501 313804486 /nfs/dbraw/zinc/80/44/86/313804486.db2.gz HWAVUKKPWSTKAE-CYBMUJFWSA-N 1 0 327.384 3.114 20 5 EGBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C1CCC(C(C)(C)C)CC1 ZINC000534868575 314003677 /nfs/dbraw/zinc/00/36/77/314003677.db2.gz KIUBFPCPNYRJLS-UHFFFAOYSA-N 1 0 335.448 3.293 20 5 EGBDRO Cc1cc(C(=O)CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c(C)n1C ZINC000535013658 314013015 /nfs/dbraw/zinc/01/30/15/314013015.db2.gz NVPDCCDQVFIMPV-UHFFFAOYSA-N 1 0 341.411 3.397 20 5 EGBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCCC23CCCCC3)c1 ZINC000535378929 314043886 /nfs/dbraw/zinc/04/38/86/314043886.db2.gz HMQPEAVVZGJVIF-MRXNPFEDSA-N 1 0 334.416 3.133 20 5 EGBDRO CN(C(=O)CN1CC=C(C(C)(C)C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000535406714 314044629 /nfs/dbraw/zinc/04/46/29/314044629.db2.gz GPYHOCJKRUGTQT-UHFFFAOYSA-N 1 0 331.416 3.236 20 5 EGBDRO COc1cccc([C@H](C)[NH2+]CC(=O)Nc2c(C)cccc2[N+](=O)[O-])c1 ZINC000537028303 314157510 /nfs/dbraw/zinc/15/75/10/314157510.db2.gz RUAPRGMEWMZJJG-ZDUSSCGKSA-N 1 0 343.383 3.201 20 5 EGBDRO COc1ccc(F)cc1[C@@H](C)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000537068110 314159544 /nfs/dbraw/zinc/15/95/44/314159544.db2.gz QWFFELVPYIFGQH-GFCCVEGCSA-N 1 0 334.347 3.472 20 5 EGBDRO Cc1ccc(NC(=O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1F ZINC000540377520 314377573 /nfs/dbraw/zinc/37/75/73/314377573.db2.gz XLWNVECAQZFXIX-LBPRGKRZSA-N 1 0 331.347 3.332 20 5 EGBDRO CCc1cc(OC)ccc1C[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000548851984 315055186 /nfs/dbraw/zinc/05/51/86/315055186.db2.gz RCJUQMBBPYPRBJ-UHFFFAOYSA-N 1 0 330.384 3.334 20 5 EGBDRO CCC[C@@H](C)C(=O)NCC[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000551222788 315146041 /nfs/dbraw/zinc/14/60/41/315146041.db2.gz MGORTFXTWMQGQX-CXAGYDPISA-N 1 0 347.459 3.459 20 5 EGBDRO COCC1(CC[NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000551242990 315146357 /nfs/dbraw/zinc/14/63/57/315146357.db2.gz ZPXQRSPRXAGXGP-AWEZNQCLSA-N 1 0 349.431 3.108 20 5 EGBDRO C[C@@H](C(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])[NH+]1CCCCCC1 ZINC000553725320 315278934 /nfs/dbraw/zinc/27/89/34/315278934.db2.gz RJDVCLCZYWORAR-AWEZNQCLSA-N 1 0 333.432 3.211 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+][C@H](CO)C1CCCC1 ZINC000554990950 315360885 /nfs/dbraw/zinc/36/08/85/315360885.db2.gz HDUCZKHIINKUSZ-CGTJXYLNSA-N 1 0 332.444 3.447 20 5 EGBDRO COC1CCC(C)(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000564863344 316221096 /nfs/dbraw/zinc/22/10/96/316221096.db2.gz ISGSLOMQXGUPTH-UHFFFAOYSA-N 1 0 349.431 3.108 20 5 EGBDRO CCCN(CC[NH+](CC)CC)C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000566046539 316406526 /nfs/dbraw/zinc/40/65/26/316406526.db2.gz ZQTTZBYPRUPONT-HNNXBMFYSA-N 1 0 335.448 3.279 20 5 EGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C1CCN(c2nccs2)CC1 ZINC000568768227 316821223 /nfs/dbraw/zinc/82/12/23/316821223.db2.gz JVJCPLOZFVODTQ-HNNXBMFYSA-N 1 0 344.440 3.297 20 5 EGBDRO CCN(CC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])CCC(F)(F)F ZINC000570816102 317112438 /nfs/dbraw/zinc/11/24/38/317112438.db2.gz KTDNDNXLQZUOJT-AWEZNQCLSA-N 1 0 345.365 3.446 20 5 EGBDRO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCC[C@@H]2[C@H]2CCCOC2)c(F)c1 ZINC000571556170 317215885 /nfs/dbraw/zinc/21/58/85/317215885.db2.gz JJIDEFXKZUOJMU-MEDUHNTESA-N 1 0 326.343 3.264 20 5 EGBDRO CC(=O)Nc1cccc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000574770261 317635447 /nfs/dbraw/zinc/63/54/47/317635447.db2.gz HZENMXCTPPDWOG-QGZVFWFLSA-N 1 0 325.368 3.330 20 5 EGBDRO CC(C)[C@@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000023677988 323213678 /nfs/dbraw/zinc/21/36/78/323213678.db2.gz XNRYITIAGLVBBN-PKOBYXMFSA-N 1 0 344.411 3.321 20 5 EGBDRO CC[NH+](CC)CCNC(=O)c1cc([N+](=O)[O-])ccc1SC(C)C ZINC000180698087 323452357 /nfs/dbraw/zinc/45/23/57/323452357.db2.gz KJWXFJUOSDFAAZ-UHFFFAOYSA-N 1 0 339.461 3.167 20 5 EGBDRO CC([NH2+]CCn1ccc([N+](=O)[O-])n1)(c1ccccc1)c1ccccc1 ZINC000182182222 323531349 /nfs/dbraw/zinc/53/13/49/323531349.db2.gz DGODZYREWQSJBX-UHFFFAOYSA-N 1 0 336.395 3.345 20 5 EGBDRO C[C@@H](CCNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)[NH+]1CCCCC1 ZINC000182340176 323544073 /nfs/dbraw/zinc/54/40/73/323544073.db2.gz SYYHMEZLEDCZPN-ZDUSSCGKSA-N 1 0 346.431 3.156 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@H](CO)C3CCCC3)o2)c1 ZINC000578988405 325046740 /nfs/dbraw/zinc/04/67/40/325046740.db2.gz JWPPWPVGAXZSIR-QGZVFWFLSA-N 1 0 330.384 3.496 20 5 EGBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000291398706 456632575 /nfs/dbraw/zinc/63/25/75/456632575.db2.gz BCDUIVHISWWPHV-SECBINFHSA-N 1 0 348.230 3.362 20 5 EGBDRO O=[N+]([O-])c1cccc(OCC[N@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@@H]2O)c1 ZINC000579430955 325107740 /nfs/dbraw/zinc/10/77/40/325107740.db2.gz BIBJOTCYJJRGBO-OTWHNJEPSA-N 1 0 348.443 3.379 20 5 EGBDRO COc1c(O)cccc1C[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000580379015 325240934 /nfs/dbraw/zinc/24/09/34/325240934.db2.gz IMWGQELPSCCJBY-UHFFFAOYSA-N 1 0 341.367 3.123 20 5 EGBDRO CCOc1cc(C[N@@H+]2CC[C@@H](c3cccnc3)C2)ccc1[N+](=O)[O-] ZINC000580643966 325278291 /nfs/dbraw/zinc/27/82/91/325278291.db2.gz FOMPJXFFIVZOII-MRXNPFEDSA-N 1 0 327.384 3.378 20 5 EGBDRO C[C@@H](C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000581106308 325329875 /nfs/dbraw/zinc/32/98/75/325329875.db2.gz YIBOLDSYBBMEAZ-LSDHHAIUSA-N 1 0 347.459 3.325 20 5 EGBDRO CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000581659212 325380235 /nfs/dbraw/zinc/38/02/35/325380235.db2.gz PIGDKOXRFUTURU-KRWDZBQOSA-N 1 0 347.459 3.205 20 5 EGBDRO O=[N+]([O-])c1ccc(OCC[NH2+]CCCc2ccc3c(c2)CCO3)cc1 ZINC000582718251 325464214 /nfs/dbraw/zinc/46/42/14/325464214.db2.gz PZRZMKGJTOXTLS-UHFFFAOYSA-N 1 0 342.395 3.131 20 5 EGBDRO CC(C)N(CC[NH+](C)C)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000180675998 455224389 /nfs/dbraw/zinc/22/43/89/455224389.db2.gz JXOOJJAAMJXEKZ-UHFFFAOYSA-N 1 0 328.800 3.052 20 5 EGBDRO COc1ccccc1[C@@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000157930444 455250946 /nfs/dbraw/zinc/25/09/46/455250946.db2.gz RHIIQDZINJDSBZ-OAHLLOKOSA-N 1 0 342.395 3.472 20 5 EGBDRO C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc(-c2ccncc2)cc1 ZINC000180885987 455260457 /nfs/dbraw/zinc/26/04/57/455260457.db2.gz QZGYARBTXGWKNB-CQSZACIVSA-N 1 0 337.383 3.204 20 5 EGBDRO CC(=O)Nc1ccc(CC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000173382378 455276676 /nfs/dbraw/zinc/27/66/76/455276676.db2.gz HREDIXOHJPVPOY-ZDUSSCGKSA-N 1 0 327.384 3.447 20 5 EGBDRO Cc1cc(NCCCOC[C@@H]2CCCO2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000181434441 455334599 /nfs/dbraw/zinc/33/45/99/455334599.db2.gz VRAVXTKKMBNVKU-HNNXBMFYSA-N 1 0 345.399 3.449 20 5 EGBDRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000008118433 453162569 /nfs/dbraw/zinc/16/25/69/453162569.db2.gz UYYZQLDFRCVQQQ-QWHCGFSZSA-N 1 0 343.383 3.281 20 5 EGBDRO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000018019287 453640931 /nfs/dbraw/zinc/64/09/31/453640931.db2.gz AHTMZYMQPWGQNM-SFHVURJKSA-N 1 0 339.395 3.162 20 5 EGBDRO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1ccc([N+](=O)[O-])s1 ZINC000023738781 453716180 /nfs/dbraw/zinc/71/61/80/453716180.db2.gz JKCTXDUQLWZNLS-AWEZNQCLSA-N 1 0 345.424 3.223 20 5 EGBDRO CC[NH+](CC)[C@H]1CCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000174151353 455364468 /nfs/dbraw/zinc/36/44/68/455364468.db2.gz JLFFOICNQXIRKK-HNNXBMFYSA-N 1 0 347.459 3.449 20 5 EGBDRO C[NH+](C)C1(CNC(=O)c2ccc([N+](=O)[O-])s2)CCCCCC1 ZINC000025999001 453791262 /nfs/dbraw/zinc/79/12/62/453791262.db2.gz VITLNSOJMJCERQ-UHFFFAOYSA-N 1 0 325.434 3.041 20 5 EGBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000027761841 453820290 /nfs/dbraw/zinc/82/02/90/453820290.db2.gz QKQWDOUCRIWXLW-AWEZNQCLSA-N 1 0 347.459 3.497 20 5 EGBDRO CC[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000030143855 453833838 /nfs/dbraw/zinc/83/38/38/453833838.db2.gz ZZZFUSAAFXPWSF-QWHCGFSZSA-N 1 0 335.404 3.052 20 5 EGBDRO Cc1c(C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000053391949 453876080 /nfs/dbraw/zinc/87/60/80/453876080.db2.gz TUKNUQRKVYPOAH-CYBMUJFWSA-N 1 0 333.432 3.144 20 5 EGBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000053417313 453877537 /nfs/dbraw/zinc/87/75/37/453877537.db2.gz TZYYMFBVKFZIMA-GASCZTMLSA-N 1 0 333.432 3.083 20 5 EGBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000053417315 453877611 /nfs/dbraw/zinc/87/76/11/453877611.db2.gz TZYYMFBVKFZIMA-HUUCEWRRSA-N 1 0 333.432 3.083 20 5 EGBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]2c2cccs2)c1 ZINC000032769205 453889771 /nfs/dbraw/zinc/88/97/71/453889771.db2.gz PYLUDKBGKXIJMH-GDBMZVCRSA-N 1 0 348.424 3.233 20 5 EGBDRO O=C(NCc1cccc([N+](=O)[O-])c1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000067072401 453899666 /nfs/dbraw/zinc/89/96/66/453899666.db2.gz RBABCYSZGXSBFR-UHFFFAOYSA-N 1 0 339.395 3.121 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000067165593 453908521 /nfs/dbraw/zinc/90/85/21/453908521.db2.gz RKPIRACJDHWBTA-KBPBESRZSA-N 1 0 333.432 3.001 20 5 EGBDRO CC[NH+](CC)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000067276819 453917480 /nfs/dbraw/zinc/91/74/80/453917480.db2.gz GWOAQALVTMACLT-OAHLLOKOSA-N 1 0 331.372 3.001 20 5 EGBDRO C[N@H+](CCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000054281589 453920585 /nfs/dbraw/zinc/92/05/85/453920585.db2.gz XPDPPAYHVTYXPR-UHFFFAOYSA-N 1 0 347.802 3.110 20 5 EGBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)[C@H](CCO)c1ccccc1 ZINC000075899696 453937672 /nfs/dbraw/zinc/93/76/72/453937672.db2.gz RQYFVUYPYKKUAY-GOSISDBHSA-N 1 0 330.384 3.029 20 5 EGBDRO COc1cc(C[N@@H+]2CCC(C)(C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000076013518 453949176 /nfs/dbraw/zinc/94/91/76/453949176.db2.gz AJILVMANEOQNAR-UHFFFAOYSA-N 1 0 330.331 3.437 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000085636741 454035518 /nfs/dbraw/zinc/03/55/18/454035518.db2.gz PAXGDWHLXFJCOL-HNNXBMFYSA-N 1 0 346.431 3.304 20 5 EGBDRO C[C@H](Nc1ncc([N+](=O)[O-])cc1Br)C(C)(C)C[NH+](C)C ZINC000085688229 454036394 /nfs/dbraw/zinc/03/63/94/454036394.db2.gz BIMUYQMKHHICPX-VIFPVBQESA-N 1 0 345.241 3.141 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCCC[NH+]1CCC(C)CC1 ZINC000043149651 454045592 /nfs/dbraw/zinc/04/55/92/454045592.db2.gz LHGHSVRFXWZITH-UHFFFAOYSA-N 1 0 334.420 3.147 20 5 EGBDRO COc1cccc([C@H](CNc2ccc(F)cc2[N+](=O)[O-])[NH+](C)C)c1 ZINC000068836661 454059002 /nfs/dbraw/zinc/05/90/02/454059002.db2.gz PDIWRDYSFSPLDD-KRWDZBQOSA-N 1 0 333.363 3.457 20 5 EGBDRO C[C@@H](NC(=O)N1CCC(CC[NH+](C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000056889006 454088218 /nfs/dbraw/zinc/08/82/18/454088218.db2.gz MZAIZMVQURQHCB-CQSZACIVSA-N 1 0 348.447 3.029 20 5 EGBDRO CC[N@@H+]1CC[C@@H](N(C)Cc2c(Cl)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC000119454371 454196573 /nfs/dbraw/zinc/19/65/73/454196573.db2.gz HFONLAHLKLWDRZ-IUODEOHRSA-N 1 0 325.840 3.410 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1ccc(NC(C)=O)cc1 ZINC000182061878 455427524 /nfs/dbraw/zinc/42/75/24/455427524.db2.gz LMZQBROBOBMEPR-GFCCVEGCSA-N 1 0 343.383 3.413 20 5 EGBDRO CCCCCNC(=O)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000046065211 454213331 /nfs/dbraw/zinc/21/33/31/454213331.db2.gz CUJQCBAUHAPYKH-UHFFFAOYSA-N 1 0 333.432 3.113 20 5 EGBDRO CC[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C[C@@H]1CCOC1 ZINC000089886181 454225803 /nfs/dbraw/zinc/22/58/03/454225803.db2.gz RYFIQMLSXMRULK-ZDUSSCGKSA-N 1 0 331.372 3.108 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1ccc(NC(N)=O)cc1 ZINC000130927679 454227255 /nfs/dbraw/zinc/22/72/55/454227255.db2.gz ZGWHHSRYOLFRGA-LBPRGKRZSA-N 1 0 328.372 3.245 20 5 EGBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+](CC2CCCCC2)C2CC2)c1 ZINC000071950408 454261623 /nfs/dbraw/zinc/26/16/23/454261623.db2.gz ZOQIAQGYCXLQAY-GOSISDBHSA-N 1 0 348.443 3.379 20 5 EGBDRO Cc1cccc(C(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000059890326 454263300 /nfs/dbraw/zinc/26/33/00/454263300.db2.gz OEKGOXQJHGQYEC-FZKQIMNGSA-N 1 0 333.432 3.144 20 5 EGBDRO Cc1ccoc1C(=O)NCCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000090061119 454270228 /nfs/dbraw/zinc/27/02/28/454270228.db2.gz JCOMBCKCCPRWKV-AWEZNQCLSA-N 1 0 345.399 3.275 20 5 EGBDRO CN(C(=O)OC(C)(C)C)C1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000078559952 454275523 /nfs/dbraw/zinc/27/55/23/454275523.db2.gz DRNKLUDMJCWXSF-UHFFFAOYSA-N 1 0 349.431 3.426 20 5 EGBDRO Cc1cnc(NC2CC[NH+](CCc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000078630206 454288826 /nfs/dbraw/zinc/28/88/26/454288826.db2.gz UHLQUPVMBLBYBM-UHFFFAOYSA-N 1 0 340.427 3.417 20 5 EGBDRO C[C@H]([NH2+][C@H]1CCN(C2CCCCC2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000090464360 454309695 /nfs/dbraw/zinc/30/96/95/454309695.db2.gz QXYULSJCJRBUQD-GUYCJALGSA-N 1 0 331.416 3.179 20 5 EGBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1nc(-c2ccccc2)cs1 ZINC000090538808 454318358 /nfs/dbraw/zinc/31/83/58/454318358.db2.gz MJJKJCIVSRVNKF-GFCCVEGCSA-N 1 0 343.412 3.266 20 5 EGBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCC[C@H](C)C1 ZINC000047119440 454331811 /nfs/dbraw/zinc/33/18/11/454331811.db2.gz PHHLRLLIGIPHHZ-RYUDHWBXSA-N 1 0 339.823 3.098 20 5 EGBDRO CC[C@H](NC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000090688945 454336722 /nfs/dbraw/zinc/33/67/22/454336722.db2.gz LSTKSJOPFGRLRK-PBHICJAKSA-N 1 0 348.447 3.029 20 5 EGBDRO Cc1c(NC(=O)CC[N@@H+](C)CCc2cccs2)cccc1[N+](=O)[O-] ZINC000072800702 454340911 /nfs/dbraw/zinc/34/09/11/454340911.db2.gz SPYLSWXAQYEUBL-UHFFFAOYSA-N 1 0 347.440 3.468 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCN(c3ccccn3)C2)cc1[N+](=O)[O-] ZINC000090801436 454341887 /nfs/dbraw/zinc/34/18/87/454341887.db2.gz CEYSAFANZWLPEO-HOCLYGCPSA-N 1 0 326.400 3.228 20 5 EGBDRO COc1ccc(C(=O)Nc2ccc(C)cc2C[NH+](C)C)cc1[N+](=O)[O-] ZINC000072840085 454349482 /nfs/dbraw/zinc/34/94/82/454349482.db2.gz VROZRPBKLZEVCP-UHFFFAOYSA-N 1 0 343.383 3.226 20 5 EGBDRO CNc1ccc(C(=O)Nc2ccc(C)cc2C[NH+](C)C)cc1[N+](=O)[O-] ZINC000072840045 454349880 /nfs/dbraw/zinc/34/98/80/454349880.db2.gz QRLOKIHZPKXZFJ-UHFFFAOYSA-N 1 0 342.399 3.259 20 5 EGBDRO CC[C@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CCS1 ZINC000072861515 454352893 /nfs/dbraw/zinc/35/28/93/454352893.db2.gz PEASEWXWFGRYEB-AWEZNQCLSA-N 1 0 337.445 3.059 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000120838499 454353907 /nfs/dbraw/zinc/35/39/07/454353907.db2.gz ZNWBUPZSZVICDJ-HNNXBMFYSA-N 1 0 346.431 3.161 20 5 EGBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+](C2CC2)C2CCCCC2)c1 ZINC000047904182 454417761 /nfs/dbraw/zinc/41/77/61/454417761.db2.gz WZVLUWSSTGNRAU-KRWDZBQOSA-N 1 0 334.416 3.132 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000063583081 454425685 /nfs/dbraw/zinc/42/56/85/454425685.db2.gz BNXVRUQQALBKTI-OKILXGFUSA-N 1 0 347.459 3.390 20 5 EGBDRO Cc1nn(C)c(Nc2cccc(CC[N@H+](C)C3CC3)c2)c1[N+](=O)[O-] ZINC000091632350 454452854 /nfs/dbraw/zinc/45/28/54/454452854.db2.gz CWHHHUJGFOGUEC-UHFFFAOYSA-N 1 0 329.404 3.017 20 5 EGBDRO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1cccc(C(N)=O)c1 ZINC000064349982 454474655 /nfs/dbraw/zinc/47/46/55/454474655.db2.gz BAKMPTYTKIDKBL-UHFFFAOYSA-N 1 0 327.384 3.104 20 5 EGBDRO Cc1nn(C)c(NC[C@H]2CCC[N@H+](Cc3cccs3)C2)c1[N+](=O)[O-] ZINC000064550833 454490742 /nfs/dbraw/zinc/49/07/42/454490742.db2.gz OBXSLJOCNDHCGO-CYBMUJFWSA-N 1 0 349.460 3.022 20 5 EGBDRO COc1ccc(-c2ccc(C[NH2+]C[C@H]3CCCN3C)o2)c([N+](=O)[O-])c1 ZINC000102424816 454505386 /nfs/dbraw/zinc/50/53/86/454505386.db2.gz JGSJMHPLKZJQBU-CYBMUJFWSA-N 1 0 345.399 3.047 20 5 EGBDRO CCCC[N@H+](CCCO)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000182146077 455446942 /nfs/dbraw/zinc/44/69/42/455446942.db2.gz AEGYWSOURFQTRY-CYBMUJFWSA-N 1 0 348.403 3.190 20 5 EGBDRO C[N@H+](CCNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000080118294 454537254 /nfs/dbraw/zinc/53/72/54/454537254.db2.gz AFCJSUCNORUSLS-UHFFFAOYSA-N 1 0 348.447 3.004 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[NH2+]C2(c3ccccc3)CCOCC2)cc1 ZINC000074319279 454563442 /nfs/dbraw/zinc/56/34/42/454563442.db2.gz CNKRSSRUIFPKSY-UHFFFAOYSA-N 1 0 326.396 3.433 20 5 EGBDRO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000134647905 454574407 /nfs/dbraw/zinc/57/44/07/454574407.db2.gz JGTATBXJVWRLDU-HIFRSBDPSA-N 1 0 349.431 3.472 20 5 EGBDRO CCCCNC(=O)[C@H]1CCC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000092710244 454615805 /nfs/dbraw/zinc/61/58/05/454615805.db2.gz LBEPOOVOTKQGKF-INIZCTEOSA-N 1 0 333.432 3.032 20 5 EGBDRO CCc1nn(C)c(NC[C@H](c2ccco2)[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000092826881 454643380 /nfs/dbraw/zinc/64/33/80/454643380.db2.gz KABWJZHECGQREF-CQSZACIVSA-N 1 0 347.419 3.123 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCn2cccc2[C@@H]1C ZINC000105593606 454645173 /nfs/dbraw/zinc/64/51/73/454645173.db2.gz IUHHAOKSDCHTBZ-AWEZNQCLSA-N 1 0 342.399 3.110 20 5 EGBDRO CC(C)c1ccc(C[NH+]2CCC(N3CCCC3=O)CC2)cc1[N+](=O)[O-] ZINC000093088063 454680143 /nfs/dbraw/zinc/68/01/43/454680143.db2.gz DJRDBEVPXQVORM-UHFFFAOYSA-N 1 0 345.443 3.305 20 5 EGBDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000081126450 454690735 /nfs/dbraw/zinc/69/07/35/454690735.db2.gz USKULHWRFDBRSJ-OAHLLOKOSA-N 1 0 345.424 3.003 20 5 EGBDRO COc1ccc(OCC[N@H+](C)[C@@H](C)c2cccnc2)c([N+](=O)[O-])c1 ZINC000093235843 454694417 /nfs/dbraw/zinc/69/44/17/454694417.db2.gz SSTGZEYOYQKNLS-ZDUSSCGKSA-N 1 0 331.372 3.070 20 5 EGBDRO CCOc1ccc([C@@H]2CCC[N@@H+]2CCn2ccc([N+](=O)[O-])n2)cc1 ZINC000176197511 454710469 /nfs/dbraw/zinc/71/04/69/454710469.db2.gz BATCIEHLYNKUEV-INIZCTEOSA-N 1 0 330.388 3.027 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000153132334 454762813 /nfs/dbraw/zinc/76/28/13/454762813.db2.gz HNEICGVPSIIMJE-RHSMWYFYSA-N 1 0 334.416 3.383 20 5 EGBDRO COc1cc(C[NH+]2C[C@H]3CCC[C@@H]3C2)c([N+](=O)[O-])cc1OC(F)F ZINC000153174817 454767009 /nfs/dbraw/zinc/76/70/09/454767009.db2.gz DDBFMVOTQGFEOV-GHMZBOCLSA-N 1 0 342.342 3.437 20 5 EGBDRO CC[C@@H](c1ccccc1)[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000141380199 454828501 /nfs/dbraw/zinc/82/85/01/454828501.db2.gz BFYFLZVVQAOLOL-KRWDZBQOSA-N 1 0 326.400 3.263 20 5 EGBDRO CCOC(=O)N1CCC([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000125687866 454839450 /nfs/dbraw/zinc/83/94/50/454839450.db2.gz YUBQLVNAHLISRU-CYBMUJFWSA-N 1 0 335.404 3.175 20 5 EGBDRO CCCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000144843250 454851054 /nfs/dbraw/zinc/85/10/54/454851054.db2.gz SUUIXDDBFXBTQZ-YOEHRIQHSA-N 1 0 347.459 3.420 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CCC4(CC3)OCCO4)o2)cc1 ZINC000126083368 454869640 /nfs/dbraw/zinc/86/96/40/454869640.db2.gz PJAAMBVCWKJGEP-UHFFFAOYSA-N 1 0 344.367 3.194 20 5 EGBDRO CCC1(CC)[C@H]([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@@H]1OC ZINC000191369892 455481444 /nfs/dbraw/zinc/48/14/44/455481444.db2.gz VZGSVWGYILBBHL-CVEARBPZSA-N 1 0 349.431 3.025 20 5 EGBDRO Cc1c([C@@H](C)[NH2+]CC(=O)Nc2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000126287079 454883392 /nfs/dbraw/zinc/88/33/92/454883392.db2.gz DANMHDGFNBPYMQ-GFCCVEGCSA-N 1 0 331.347 3.332 20 5 EGBDRO CC[NH+](CC)CCCCNc1ncc(Br)cc1[N+](=O)[O-] ZINC000177821413 454910579 /nfs/dbraw/zinc/91/05/79/454910579.db2.gz XFMQYWLYJUFQCD-UHFFFAOYSA-N 1 0 345.241 3.286 20 5 EGBDRO CC[C@H](C)C[N@H+](CC)CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000177846624 454913159 /nfs/dbraw/zinc/91/31/59/454913159.db2.gz CAUKZCOVKZMASZ-ZDUSSCGKSA-N 1 0 337.420 3.300 20 5 EGBDRO CC[C@@H]([NH2+][C@@H]1CCN(c2ncccc2F)C1)c1cccc([N+](=O)[O-])c1 ZINC000168198474 454925690 /nfs/dbraw/zinc/92/56/90/454925690.db2.gz KHKDWWCGXWFYAF-RHSMWYFYSA-N 1 0 344.390 3.449 20 5 EGBDRO COc1ccc([C@@H](C)NCc2cc([N+](=O)[O-])ccc2OC)c(OC)c1 ZINC000178730218 454969823 /nfs/dbraw/zinc/96/98/23/454969823.db2.gz CCKBCICXHCNQOD-GFCCVEGCSA-N 1 0 346.383 3.471 20 5 EGBDRO C[C@@H](c1cccnc1)N(C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000127800250 454998927 /nfs/dbraw/zinc/99/89/27/454998927.db2.gz WWYLRVRQMPPLFY-LBPRGKRZSA-N 1 0 339.355 3.233 20 5 EGBDRO Cc1c(NC(=O)CC[N@@H+](C)[C@H](C)c2ccccn2)cccc1[N+](=O)[O-] ZINC000128015869 455018557 /nfs/dbraw/zinc/01/85/57/455018557.db2.gz DNGPJSFXJIMANE-CQSZACIVSA-N 1 0 342.399 3.320 20 5 EGBDRO CC[N@H+](CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)C1CC1 ZINC000171141667 455036158 /nfs/dbraw/zinc/03/61/58/455036158.db2.gz CJXSNBLBVYNCJD-UHFFFAOYSA-N 1 0 333.413 3.024 20 5 EGBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)c2cnn(C)c2C)cc1[N+](=O)[O-] ZINC000179399182 455044371 /nfs/dbraw/zinc/04/43/71/455044371.db2.gz LFLIRWPXGPAXTP-VXGBXAGGSA-N 1 0 332.404 3.447 20 5 EGBDRO C[NH+](C)CC[C@@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(C)(C)C ZINC000116232269 455048995 /nfs/dbraw/zinc/04/89/95/455048995.db2.gz CVAVRVZMZAAMNV-CQSZACIVSA-N 1 0 341.839 3.344 20 5 EGBDRO CC(=O)NC[C@H]1C[N@H+](Cc2c3ccccc3cc3ccccc32)CCO1 ZINC000179713389 455070092 /nfs/dbraw/zinc/07/00/92/455070092.db2.gz MWYPQJIETNKLSG-IBGZPJMESA-N 1 0 348.446 3.330 20 5 EGBDRO O=C(NCCCCC[NH+]1CCCCC1)NCc1cccc([N+](=O)[O-])c1 ZINC000171841858 455097894 /nfs/dbraw/zinc/09/78/94/455097894.db2.gz UKOPNFYKNGQRDB-UHFFFAOYSA-N 1 0 348.447 3.050 20 5 EGBDRO CC[C@H](C)[N@H+](C)Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000179933772 455101943 /nfs/dbraw/zinc/10/19/43/455101943.db2.gz PALZUBZDWHUKII-JTQLQIEISA-N 1 0 332.347 3.478 20 5 EGBDRO CCc1ccc(C(C)(C)[NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 ZINC000180096091 455130919 /nfs/dbraw/zinc/13/09/19/455130919.db2.gz AJWJNPDFOKBJEO-UHFFFAOYSA-N 1 0 341.411 3.281 20 5 EGBDRO CC(C)(O)C[N@H+](CCOc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000180215663 455148840 /nfs/dbraw/zinc/14/88/40/455148840.db2.gz ISPLFNFRVMGSGP-UHFFFAOYSA-N 1 0 344.411 3.247 20 5 EGBDRO C[C@](O)(C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)c1cccs1 ZINC000156881946 455154984 /nfs/dbraw/zinc/15/49/84/455154984.db2.gz YRNRNEQYIWAPDG-QAPCUYQASA-N 1 0 346.452 3.475 20 5 EGBDRO CCc1ccc(NC(=O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000180423552 455166976 /nfs/dbraw/zinc/16/69/76/455166976.db2.gz BAXVYJWOSPOQBJ-CYBMUJFWSA-N 1 0 327.384 3.447 20 5 EGBDRO C[C@@H]([NH2+]CC(=O)N[C@@H](C)c1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000180442695 455171181 /nfs/dbraw/zinc/17/11/81/455171181.db2.gz ZZMCATASSQKZEB-NEPJUHHUSA-N 1 0 333.413 3.184 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCC[C@H]3C3CCC3)o2)cc1 ZINC000264036472 455187319 /nfs/dbraw/zinc/18/73/19/455187319.db2.gz QRIOJQYMGRSQLG-HNNXBMFYSA-N 1 0 328.372 3.409 20 5 EGBDRO O=[N+]([O-])c1cnn(CCN2CCC[C@@H]2c2nc3ccccc3s2)c1 ZINC000157370504 455188751 /nfs/dbraw/zinc/18/87/51/455188751.db2.gz MKJRJXNLVPRLFE-CQSZACIVSA-N 1 0 343.412 3.238 20 5 EGBDRO Cc1ccc(NC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000174186236 455368727 /nfs/dbraw/zinc/36/87/27/455368727.db2.gz ZZQCQOXYKUNVDP-HNNXBMFYSA-N 1 0 334.420 3.241 20 5 EGBDRO CN(C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)[C@H]1CCC[N@H+](C)C1 ZINC000266095535 455423137 /nfs/dbraw/zinc/42/31/37/455423137.db2.gz IJYURTOFSQWVLH-AWEZNQCLSA-N 1 0 333.432 3.059 20 5 EGBDRO COc1ccc(NC(=O)C[N@@H+]2[C@H](C)C[C@@H]3CCCC[C@H]32)c([N+](=O)[O-])c1 ZINC000246116685 455429666 /nfs/dbraw/zinc/42/96/66/455429666.db2.gz GGDIXWUJSJQVHN-DVOMOZLQSA-N 1 0 347.415 3.195 20 5 EGBDRO COc1ccc(OCC[N@@H+]2CCC[C@H]2c2cccn2C)c([N+](=O)[O-])c1 ZINC000175492885 455453365 /nfs/dbraw/zinc/45/33/65/455453365.db2.gz XCAFBOXENKNMNQ-INIZCTEOSA-N 1 0 345.399 3.158 20 5 EGBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000266843856 455461094 /nfs/dbraw/zinc/46/10/94/455461094.db2.gz HOPVMJFNSWUKBD-ZDUSSCGKSA-N 1 0 343.383 3.283 20 5 EGBDRO Cc1cccc(C[C@@H](CO)[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000191600789 455503134 /nfs/dbraw/zinc/50/31/34/455503134.db2.gz BGUXRWXIXZDVSA-LPHOPBHVSA-N 1 0 342.439 3.418 20 5 EGBDRO CCOC(=O)[C@](C)(C[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000191638942 455506290 /nfs/dbraw/zinc/50/62/90/455506290.db2.gz HVWZESONQGEEGJ-LJQANCHMSA-N 1 0 342.395 3.205 20 5 EGBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H]1CC2(CCC2)C(=O)O1 ZINC000191960376 455535797 /nfs/dbraw/zinc/53/57/97/455535797.db2.gz HMFKUXUUOPWKIE-MRXNPFEDSA-N 1 0 332.400 3.291 20 5 EGBDRO C[C@@H]([NH2+]C[C@H](c1cccs1)N(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283867184 455605062 /nfs/dbraw/zinc/60/50/62/455605062.db2.gz BTKOYOGDVVWAAR-IAQYHMDHSA-N 1 0 334.445 3.192 20 5 EGBDRO C[C@H]([NH2+]C[C@@H](c1cccs1)N(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283867188 455605778 /nfs/dbraw/zinc/60/57/78/455605778.db2.gz BTKOYOGDVVWAAR-NHYWBVRUSA-N 1 0 334.445 3.192 20 5 EGBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2c2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000271397155 455621541 /nfs/dbraw/zinc/62/15/41/455621541.db2.gz RBEVBOIMKHUJIB-AAEUAGOBSA-N 1 0 341.358 3.117 20 5 EGBDRO C[C@H](C[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1)NC(=O)OC(C)(C)C ZINC000271421630 455630893 /nfs/dbraw/zinc/63/08/93/455630893.db2.gz BUSOKKZCEVVITE-QWHCGFSZSA-N 1 0 337.420 3.376 20 5 EGBDRO Cc1nc(NCC2CCN(c3cc[nH+]cc3)CC2)ccc1[N+](=O)[O-] ZINC000271466980 455647622 /nfs/dbraw/zinc/64/76/22/455647622.db2.gz RXHWASDLEFPKJC-UHFFFAOYSA-N 1 0 327.388 3.022 20 5 EGBDRO Nc1ccc([N+](=O)[O-])c(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)c1 ZINC000192769623 455689161 /nfs/dbraw/zinc/68/91/61/455689161.db2.gz CEMHLJHVQSFNLQ-UHFFFAOYSA-N 1 0 344.390 3.028 20 5 EGBDRO C[N@@H+]1CCC[C@H]2CN(c3ccc([N+](=O)[O-])c4cccnc43)CC[C@@H]21 ZINC000268807387 455714797 /nfs/dbraw/zinc/71/47/97/455714797.db2.gz GAPBSAXDZQKGHV-ZFWWWQNUSA-N 1 0 326.400 3.064 20 5 EGBDRO C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000278024905 455736519 /nfs/dbraw/zinc/73/65/19/455736519.db2.gz WQUSDWKFWJDGPB-ZFWWWQNUSA-N 1 0 349.431 3.330 20 5 EGBDRO Cc1cc(NCc2nn(C)c3ccccc23)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000612667051 460693184 /nfs/dbraw/zinc/69/31/84/460693184.db2.gz WZZCDHDWAYPLDX-UHFFFAOYSA-N 1 0 347.378 3.372 20 5 EGBDRO CCOC(=O)N1CCC([C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000186420345 455764629 /nfs/dbraw/zinc/76/46/29/455764629.db2.gz BJTPLLBDVJSXAI-CQSZACIVSA-N 1 0 349.431 3.250 20 5 EGBDRO Cc1nc(C[C@H]2CCC[N@@H+]([C@H](C)c3cccc([N+](=O)[O-])c3)C2)no1 ZINC000249864914 455778891 /nfs/dbraw/zinc/77/88/91/455778891.db2.gz HKBRZDWTDPSNCW-TZMCWYRMSA-N 1 0 330.388 3.302 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCSC2(CCOCC2)C1 ZINC000186485166 455779472 /nfs/dbraw/zinc/77/94/72/455779472.db2.gz XYAAGSSSEUJUFJ-HWKANZROSA-N 1 0 334.441 3.206 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000194026852 455793249 /nfs/dbraw/zinc/79/32/49/455793249.db2.gz NPKBURFQORNZGI-DJIMGWMZSA-N 1 0 332.400 3.041 20 5 EGBDRO C[C@H](NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)[C@H]1CCC[NH2+]C1 ZINC000269195023 455809061 /nfs/dbraw/zinc/80/90/61/455809061.db2.gz LJNYZRKLTPHHEW-JSGCOSHPSA-N 1 0 333.432 3.010 20 5 EGBDRO COc1ccc(CN2C[C@@H](C)[NH2+]Cc3ccccc32)cc1[N+](=O)[O-] ZINC000261646980 455921451 /nfs/dbraw/zinc/92/14/51/455921451.db2.gz JCYKRCSAKHHSMR-CYBMUJFWSA-N 1 0 327.384 3.102 20 5 EGBDRO Cc1cc(C[NH+](C)C)cc(NC(=O)Cc2cccc([N+](=O)[O-])c2C)c1 ZINC000270347657 455934191 /nfs/dbraw/zinc/93/41/91/455934191.db2.gz BDLNXKVHZZZOOO-UHFFFAOYSA-N 1 0 341.411 3.454 20 5 EGBDRO C[C@H](C1CC1)N(C(=O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000296529892 455964464 /nfs/dbraw/zinc/96/44/64/455964464.db2.gz CWXXURSBPCZUDQ-QWHCGFSZSA-N 1 0 331.416 3.035 20 5 EGBDRO C[C@@]1(C(N)=O)CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000280416714 455966944 /nfs/dbraw/zinc/96/69/44/455966944.db2.gz YYIHFNAQEZVBHE-QGZVFWFLSA-N 1 0 345.424 3.021 20 5 EGBDRO O=[N+]([O-])c1cnc(NC2CC[NH+](CCc3ccccc3)CC2)s1 ZINC000195508585 455973922 /nfs/dbraw/zinc/97/39/22/455973922.db2.gz DDCKWEUXNIACHF-UHFFFAOYSA-N 1 0 332.429 3.170 20 5 EGBDRO Cn1ncc2c1CCC[C@@H]2[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000272604882 456010429 /nfs/dbraw/zinc/01/04/29/456010429.db2.gz JMMPJDDHEBPWSV-AWEZNQCLSA-N 1 0 334.807 3.191 20 5 EGBDRO C[NH+]1CCC(C)(CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000272638453 456021540 /nfs/dbraw/zinc/02/15/40/456021540.db2.gz YUVFYYKKCNNFNP-UHFFFAOYSA-N 1 0 340.811 3.102 20 5 EGBDRO COc1ccc([C@H](C[NH+]2CCCC2)Nc2ccc([N+](=O)[O-])cn2)cc1 ZINC000272710409 456047719 /nfs/dbraw/zinc/04/77/19/456047719.db2.gz CNVUQWUHXUBBSZ-KRWDZBQOSA-N 1 0 342.399 3.247 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]([NH+]3CCCC3)C2)cc1C(F)(F)F ZINC000301431366 456113653 /nfs/dbraw/zinc/11/36/53/456113653.db2.gz GRWXJKMYPMWJCZ-GFCCVEGCSA-N 1 0 329.322 3.288 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000272933803 456116493 /nfs/dbraw/zinc/11/64/93/456116493.db2.gz QQEFKNVLCYJSJG-CABCVRRESA-N 1 0 345.443 3.286 20 5 EGBDRO Cc1c(C[N@@H+]2CC[C@@H](OCc3ccncc3)C2)cccc1[N+](=O)[O-] ZINC000281112663 456137727 /nfs/dbraw/zinc/13/77/27/456137727.db2.gz WWDYOACKPJZCRK-QGZVFWFLSA-N 1 0 327.384 3.089 20 5 EGBDRO CSCCC[N@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000281155622 456149094 /nfs/dbraw/zinc/14/90/94/456149094.db2.gz FTMMEKIVAGECCK-UHFFFAOYSA-N 1 0 334.445 3.180 20 5 EGBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1ncccc1[N+](=O)[O-] ZINC000301604284 456159006 /nfs/dbraw/zinc/15/90/06/456159006.db2.gz XOUHDLMOIPIVQR-ZBFHGGJFSA-N 1 0 326.400 3.312 20 5 EGBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1ncccc1[N+](=O)[O-] ZINC000301604281 456159648 /nfs/dbraw/zinc/15/96/48/456159648.db2.gz XOUHDLMOIPIVQR-GDBMZVCRSA-N 1 0 326.400 3.312 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000297278241 456170365 /nfs/dbraw/zinc/17/03/65/456170365.db2.gz DWZAONOBBLALSS-SFHVURJKSA-N 1 0 346.431 3.107 20 5 EGBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2cccc(CO)c2)cc1[N+](=O)[O-] ZINC000271203263 456170973 /nfs/dbraw/zinc/17/09/73/456170973.db2.gz ZPCTUYPKMLCRGZ-CYBMUJFWSA-N 1 0 330.384 3.337 20 5 EGBDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000301669647 456180343 /nfs/dbraw/zinc/18/03/43/456180343.db2.gz NUVYDJFVBGRYBH-HNNXBMFYSA-N 1 0 332.448 3.471 20 5 EGBDRO COCCOCc1ccc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000289936748 456188283 /nfs/dbraw/zinc/18/82/83/456188283.db2.gz AVOHVBBPPGSLAD-UHFFFAOYSA-N 1 0 344.411 3.090 20 5 EGBDRO CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000273161605 456196997 /nfs/dbraw/zinc/19/69/97/456196997.db2.gz BPHYZZKIDPCMRA-LLVKDONJSA-N 1 0 345.403 3.090 20 5 EGBDRO C[NH+](C)Cc1ccc(CNc2ncc([N+](=O)[O-])cc2Cl)cc1F ZINC000301898364 456246507 /nfs/dbraw/zinc/24/65/07/456246507.db2.gz WUKDXKJTOJMVLK-UHFFFAOYSA-N 1 0 338.770 3.456 20 5 EGBDRO CCOc1cc(N2CC[N@H+](C)C[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000301916909 456250826 /nfs/dbraw/zinc/25/08/26/456250826.db2.gz BBIGSBFRUDINSG-SFHVURJKSA-N 1 0 341.411 3.487 20 5 EGBDRO CC[N@H+](C)C[C@H]1CCN(c2cc(C)nc3c2cccc3[N+](=O)[O-])C1 ZINC000302046709 456275403 /nfs/dbraw/zinc/27/54/03/456275403.db2.gz YKYLHCNAHXBASO-CQSZACIVSA-N 1 0 328.416 3.229 20 5 EGBDRO C[C@@H]1CCC[N@H+](CCNc2ccc([N+](=O)[O-])cc2OC(F)F)C1 ZINC000302061837 456278208 /nfs/dbraw/zinc/27/82/08/456278208.db2.gz UCLKHUDGODNVAM-LLVKDONJSA-N 1 0 329.347 3.340 20 5 EGBDRO CCC[NH+]1CCC(N(C)C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC000342873509 456287989 /nfs/dbraw/zinc/28/79/89/456287989.db2.gz VAZJYMNHRYAYKC-UHFFFAOYSA-N 1 0 344.415 3.023 20 5 EGBDRO COc1cc(CN2CCC(Oc3ccccn3)CC2)ccc1[N+](=O)[O-] ZINC000352780469 456300358 /nfs/dbraw/zinc/30/03/58/456300358.db2.gz UOPDKRFQKPMVOE-UHFFFAOYSA-N 1 0 343.383 3.042 20 5 EGBDRO CC1(C[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)CC1 ZINC000352797003 456319044 /nfs/dbraw/zinc/31/90/44/456319044.db2.gz LWALSIVCKBSTQR-UHFFFAOYSA-N 1 0 346.168 3.089 20 5 EGBDRO Cc1cc(N2CCC([NH2+][C@H](C)c3cccc([N+](=O)[O-])c3C)CC2)n[nH]1 ZINC000275969497 456360742 /nfs/dbraw/zinc/36/07/42/456360742.db2.gz WUWWDQCQESTCFS-CQSZACIVSA-N 1 0 343.431 3.254 20 5 EGBDRO C[C@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)[N@@H+]1CCCC[C@@H]1C ZINC000343083112 456394234 /nfs/dbraw/zinc/39/42/34/456394234.db2.gz XUEKOLJRQYFLHW-QWHCGFSZSA-N 1 0 345.399 3.334 20 5 EGBDRO Cn1cnc([N+](=O)[O-])c1N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000282163016 456430202 /nfs/dbraw/zinc/43/02/02/456430202.db2.gz DFGVVLSNRHOXRF-HNNXBMFYSA-N 1 0 343.431 3.041 20 5 EGBDRO CC[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)Cc1ccncc1 ZINC000348073801 456456430 /nfs/dbraw/zinc/45/64/30/456456430.db2.gz NLCRBYGYDTZOEN-UHFFFAOYSA-N 1 0 342.399 3.149 20 5 EGBDRO C[C@H](CO)C[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000340446441 456468146 /nfs/dbraw/zinc/46/81/46/456468146.db2.gz OPEJLCSMIUOWFI-AWEZNQCLSA-N 1 0 329.400 3.081 20 5 EGBDRO CN(c1ccccc1)c1ccc(CNCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000340456861 456470921 /nfs/dbraw/zinc/47/09/21/456470921.db2.gz BGJWXZJXDILTJH-UHFFFAOYSA-N 1 0 342.443 3.404 20 5 EGBDRO CC(C)[C@H]1CCC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000303648985 456474119 /nfs/dbraw/zinc/47/41/19/456474119.db2.gz SXEKKYLRPLKUKU-HNNXBMFYSA-N 1 0 333.432 3.316 20 5 EGBDRO O=[N+]([O-])c1cnn(CC[NH2+]CC2CCC(c3ccccc3)CC2)c1 ZINC000348096096 456475162 /nfs/dbraw/zinc/47/51/62/456475162.db2.gz LIXCHINZJLMBHH-UHFFFAOYSA-N 1 0 328.416 3.355 20 5 EGBDRO Cc1cc(C(=O)N2CCC[C@H]([NH+]3[C@H](C)CC[C@H]3C)C2)cc([N+](=O)[O-])c1 ZINC000340496502 456493671 /nfs/dbraw/zinc/49/36/71/456493671.db2.gz GAMKFHWYWQSTOM-INMHGKMJSA-N 1 0 345.443 3.381 20 5 EGBDRO Cn1cc(C[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])c(C(F)F)n1 ZINC000291009702 456494844 /nfs/dbraw/zinc/49/48/44/456494844.db2.gz DTZFAPVTJNVMTN-UHFFFAOYSA-N 1 0 344.749 3.252 20 5 EGBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000340503884 456496733 /nfs/dbraw/zinc/49/67/33/456496733.db2.gz ONXGOHMXZHOMBC-JHJVBQTASA-N 1 0 337.445 3.134 20 5 EGBDRO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000343273396 456500166 /nfs/dbraw/zinc/50/01/66/456500166.db2.gz IKNDLYFMMQNUQF-UHFFFAOYSA-N 1 0 327.384 3.446 20 5 EGBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H]2CCN(c3ccccc3F)C2)c1 ZINC000291062275 456515264 /nfs/dbraw/zinc/51/52/64/456515264.db2.gz PNFXAKTYGXTWHK-HNNXBMFYSA-N 1 0 329.375 3.350 20 5 EGBDRO C[N@H+](CCC(=O)Nc1ccccc1)CCc1cccc([N+](=O)[O-])c1 ZINC000282448050 456517463 /nfs/dbraw/zinc/51/74/63/456517463.db2.gz LODPMHYAKZMDKG-UHFFFAOYSA-N 1 0 327.384 3.098 20 5 EGBDRO CC[NH+](CC)C[C@@H]1CCN(c2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000276575164 456520068 /nfs/dbraw/zinc/52/00/68/456520068.db2.gz HRZROGATLZHDOE-AWEZNQCLSA-N 1 0 328.416 3.311 20 5 EGBDRO C[C@]1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)OCCc2sccc21 ZINC000353228951 456574228 /nfs/dbraw/zinc/57/42/28/456574228.db2.gz QIGUFRCGSATAHC-MRXNPFEDSA-N 1 0 336.388 3.373 20 5 EGBDRO CC[N@H+](C[C@H](C)OC)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000291326291 456606268 /nfs/dbraw/zinc/60/62/68/456606268.db2.gz VEUUCKOXFGDUCY-RYUDHWBXSA-N 1 0 334.376 3.063 20 5 EGBDRO COc1cc(C[NH2+][C@H](C)c2ccc3n[nH]cc3c2)ccc1[N+](=O)[O-] ZINC000353283980 456610198 /nfs/dbraw/zinc/61/01/98/456610198.db2.gz BTDZABHZFYBMAJ-LLVKDONJSA-N 1 0 326.356 3.331 20 5 EGBDRO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccc2n[nH]cc2c1 ZINC000353324089 456638184 /nfs/dbraw/zinc/63/81/84/456638184.db2.gz GRBROYQGGVHEIV-LBPRGKRZSA-N 1 0 326.356 3.201 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+](C)CC1CCCC1 ZINC000299406452 456683417 /nfs/dbraw/zinc/68/34/17/456683417.db2.gz NOTUNWJRYRRHRZ-LBPRGKRZSA-N 1 0 335.404 3.052 20 5 EGBDRO CCCn1nc(C)c(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c1C ZINC000283003566 456687806 /nfs/dbraw/zinc/68/78/06/456687806.db2.gz KUVJFTSKIJAQQU-UHFFFAOYSA-N 1 0 330.432 3.493 20 5 EGBDRO Cc1c([C@@H](C)[NH2+]C2CCN(c3cccnn3)CC2)cccc1[N+](=O)[O-] ZINC000277228605 456734329 /nfs/dbraw/zinc/73/43/29/456734329.db2.gz YNXQBHSIGQTTNE-CQSZACIVSA-N 1 0 341.415 3.013 20 5 EGBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]2C[C@H](O)c2ccco2)cc1F ZINC000283252670 456745010 /nfs/dbraw/zinc/74/50/10/456745010.db2.gz VMWYQHSTWLUNEK-BBRMVZONSA-N 1 0 334.347 3.415 20 5 EGBDRO COc1cccc(NC(=O)CC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000299728941 456775792 /nfs/dbraw/zinc/77/57/92/456775792.db2.gz VZRDDYXAYXNVFE-ZDUSSCGKSA-N 1 0 343.383 3.283 20 5 EGBDRO CCC(CC)[N@H+](CC)CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000344064382 456792977 /nfs/dbraw/zinc/79/29/77/456792977.db2.gz NSNZIMSCRPXLDS-UHFFFAOYSA-N 1 0 337.420 3.443 20 5 EGBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cccc2c1OCCCO2 ZINC000338954114 456874949 /nfs/dbraw/zinc/87/49/49/456874949.db2.gz ISKGQYQKVLIXGE-UHFFFAOYSA-N 1 0 342.395 3.431 20 5 EGBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C[NH+]1CCC(C)CC1 ZINC000353730765 456876587 /nfs/dbraw/zinc/87/65/87/456876587.db2.gz JQEMCMLRLQHFCA-UHFFFAOYSA-N 1 0 333.432 3.064 20 5 EGBDRO Cc1ccc(C[NH2+][C@@H](CC(=O)N(C)C)c2ccccc2)cc1[N+](=O)[O-] ZINC000353756576 456893342 /nfs/dbraw/zinc/89/33/42/456893342.db2.gz WDXHFJGGHCWFKK-KRWDZBQOSA-N 1 0 341.411 3.212 20 5 EGBDRO COc1ccc(-c2ccc(C[N@H+]3CC[C@H](OC)C3)o2)c([N+](=O)[O-])c1 ZINC000353841077 456931327 /nfs/dbraw/zinc/93/13/27/456931327.db2.gz DJTNDDFAWVZIPP-ZDUSSCGKSA-N 1 0 332.356 3.084 20 5 EGBDRO C[NH+]1CCC(N(Cc2ccco2)Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000349288490 456932547 /nfs/dbraw/zinc/93/25/47/456932547.db2.gz VQYBTXXDTAIICU-UHFFFAOYSA-N 1 0 347.390 3.423 20 5 EGBDRO CC[C@]1(CO)CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000339114493 456946564 /nfs/dbraw/zinc/94/65/64/456946564.db2.gz ZFFRQKYKHOJXJG-CQSZACIVSA-N 1 0 332.322 3.351 20 5 EGBDRO CCC[NH+](CCC)CCCNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000341807857 456953145 /nfs/dbraw/zinc/95/31/45/456953145.db2.gz GWOBTRGKYIAADF-UHFFFAOYSA-N 1 0 348.447 3.404 20 5 EGBDRO COc1ccc(-c2ccc(C[N@@H+]3CC[C@H](C)[C@H](O)C3)o2)c([N+](=O)[O-])c1 ZINC000349407274 456963468 /nfs/dbraw/zinc/96/34/68/456963468.db2.gz NDLGYEWLDILTOZ-YVEFUNNKSA-N 1 0 346.383 3.066 20 5 EGBDRO Cc1c([C@H](C)[NH2+]Cc2ccc3c(c2)C(=O)NCC3)cccc1[N+](=O)[O-] ZINC000349682299 457014804 /nfs/dbraw/zinc/01/48/04/457014804.db2.gz AIAAGIJTUBOQQH-ZDUSSCGKSA-N 1 0 339.395 3.040 20 5 EGBDRO CC[C@@H]1CCCCN1C(=O)[C@@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000330493313 457048748 /nfs/dbraw/zinc/04/87/48/457048748.db2.gz MIPNPUMPLKDKKI-IIAWOOMASA-N 1 0 333.432 3.425 20 5 EGBDRO CC(C)[NH+]1CCC(N(C)C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000330799676 457087876 /nfs/dbraw/zinc/08/78/76/457087876.db2.gz GDURTEVSOPXHON-UHFFFAOYSA-N 1 0 339.823 3.193 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](CC2CC2)C1 ZINC000339672985 457203190 /nfs/dbraw/zinc/20/31/90/457203190.db2.gz CQYXFQVWXCFMJH-AWEZNQCLSA-N 1 0 347.415 3.054 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](CC2CC2)C1 ZINC000339673532 457203373 /nfs/dbraw/zinc/20/33/73/457203373.db2.gz OYODWIYPRAHTKE-HNNXBMFYSA-N 1 0 331.416 3.354 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@H](CC2CC2)C1 ZINC000339682740 457210795 /nfs/dbraw/zinc/21/07/95/457210795.db2.gz LIOXAPJFMVLGCH-GXTWGEPZSA-N 1 0 347.415 3.052 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1ccc(CN2CC[C@H]3CC[C@@H](C2)[NH2+]3)o1 ZINC000347066336 457212527 /nfs/dbraw/zinc/21/25/27/457212527.db2.gz LZTILFQQKSXRMK-KGLIPLIRSA-N 1 0 327.384 3.181 20 5 EGBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)c1 ZINC000363391625 457309552 /nfs/dbraw/zinc/30/95/52/457309552.db2.gz WMLBMEDQLIGVTR-LBPRGKRZSA-N 1 0 349.456 3.063 20 5 EGBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000352015935 457331517 /nfs/dbraw/zinc/33/15/17/457331517.db2.gz UBLFISNNGMCNKS-LBPRGKRZSA-N 1 0 327.375 3.179 20 5 EGBDRO CC(C)c1ccc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000332247985 457335469 /nfs/dbraw/zinc/33/54/69/457335469.db2.gz BDXCTCFKSAWEQS-HZPDHXFCSA-N 1 0 331.416 3.075 20 5 EGBDRO CC(=Cc1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@H](c2nnc(C)[nH]2)C1 ZINC000347350409 457367895 /nfs/dbraw/zinc/36/78/95/457367895.db2.gz AVVQNCATRHUUMH-OVHOFWQVSA-N 1 0 341.415 3.304 20 5 EGBDRO CC(C)(C)c1ccc(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000373933486 457407611 /nfs/dbraw/zinc/40/76/11/457407611.db2.gz MHNITTOHYDDQGI-CABCVRRESA-N 1 0 345.443 3.249 20 5 EGBDRO [NH3+]CC[C@H]1CCCCN1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000352540515 457451314 /nfs/dbraw/zinc/45/13/14/457451314.db2.gz MDQNIOUYXWKGGU-OAHLLOKOSA-N 1 0 346.456 3.422 20 5 EGBDRO COC[C@H]1CCCC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000369949652 457474135 /nfs/dbraw/zinc/47/41/35/457474135.db2.gz YXJKNNANEGVMAO-AWEZNQCLSA-N 1 0 345.399 3.498 20 5 EGBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000425555224 457596903 /nfs/dbraw/zinc/59/69/03/457596903.db2.gz PZYOGCBYRJDXBE-GOSISDBHSA-N 1 0 346.427 3.255 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C)c1cncc(F)c1 ZINC000361137025 457606288 /nfs/dbraw/zinc/60/62/88/457606288.db2.gz UBSBXVALYVFDPB-LBPRGKRZSA-N 1 0 346.362 3.117 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(NCCC[N@@H+]2CCc3ccccc3C2)c1 ZINC000361159134 457619663 /nfs/dbraw/zinc/61/96/63/457619663.db2.gz IDQAZBWWNXUETK-UHFFFAOYSA-N 1 0 341.411 3.464 20 5 EGBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C/C=C/c3ccc(F)cc3F)CC2)n1 ZINC000425992118 457755606 /nfs/dbraw/zinc/75/56/06/457755606.db2.gz AQYQRWAAVHKLMP-OWOJBTEDSA-N 1 0 348.353 3.420 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@@H](C)C1CCC1 ZINC000411433778 457886892 /nfs/dbraw/zinc/88/68/92/457886892.db2.gz VDMSVJCCYONJQT-LBPRGKRZSA-N 1 0 335.404 3.052 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+]C1[C@H](C)CCC[C@H]1C ZINC000411444611 457890585 /nfs/dbraw/zinc/89/05/85/457890585.db2.gz KROVNUIZNKYWCC-CHWSQXEVSA-N 1 0 349.431 3.346 20 5 EGBDRO Cn1cc(C[N@@H+]2CCC[C@@H]2C2CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000371419909 457922117 /nfs/dbraw/zinc/92/21/17/457922117.db2.gz RCQWSJQRKYODQJ-QGZVFWFLSA-N 1 0 326.400 3.370 20 5 EGBDRO CC(C)[C@@H](CC(F)(F)F)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411606632 457928895 /nfs/dbraw/zinc/92/88/95/457928895.db2.gz JADRCCNPLWVVKL-CYBMUJFWSA-N 1 0 347.337 3.490 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](CC1CC1)C1CCC1 ZINC000411659323 457941682 /nfs/dbraw/zinc/94/16/82/457941682.db2.gz FVQSWOQMEXFTHN-UHFFFAOYSA-N 1 0 347.415 3.197 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(CN3CC[C@@H]4[NH2+]CC[C@@H]4C3)o2)cc1 ZINC000427134558 457946927 /nfs/dbraw/zinc/94/69/27/457946927.db2.gz ZKYQRJFJKXLASA-PBHICJAKSA-N 1 0 327.384 3.039 20 5 EGBDRO CC(C)[C@@H]1[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC12CCC2 ZINC000427190400 457956536 /nfs/dbraw/zinc/95/65/36/457956536.db2.gz UGPYCOVESXLNTB-KRWDZBQOSA-N 1 0 331.416 3.434 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@]1(C)CCCC[C@H]1C ZINC000411819790 457985269 /nfs/dbraw/zinc/98/52/69/457985269.db2.gz QNJZIWIQSUHWLZ-FZKQIMNGSA-N 1 0 349.431 3.490 20 5 EGBDRO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1occc1C ZINC000412026863 458052902 /nfs/dbraw/zinc/05/29/02/458052902.db2.gz NPCHHTLDFAXIMX-UHFFFAOYSA-N 1 0 331.372 3.347 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2nc(CN3CC[C@H]4CC[C@@H](C3)[NH2+]4)cs2)c1 ZINC000435370397 458123379 /nfs/dbraw/zinc/12/33/79/458123379.db2.gz IPUZWIRWVCSAOT-KGLIPLIRSA-N 1 0 344.440 3.045 20 5 EGBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000358650317 458128956 /nfs/dbraw/zinc/12/89/56/458128956.db2.gz NTMNZGNQMJRXFS-CPUCHLNUSA-N 1 0 331.416 3.072 20 5 EGBDRO C[C@H]([NH3+])[C@@H]1CCCCN1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000435387616 458131809 /nfs/dbraw/zinc/13/18/09/458131809.db2.gz BLHPWSCYHYHNKS-LRDDRELGSA-N 1 0 346.456 3.420 20 5 EGBDRO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCCCC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000446081251 458143714 /nfs/dbraw/zinc/14/37/14/458143714.db2.gz VIWIBDDBIPZYIA-ZDUSSCGKSA-N 1 0 349.431 3.443 20 5 EGBDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000446130547 458153994 /nfs/dbraw/zinc/15/39/94/458153994.db2.gz INZBJAPETSLFQJ-GOSISDBHSA-N 1 0 347.459 3.298 20 5 EGBDRO CCc1nn(C)c(NC[C@H]2CCC[N@@H+]2C2CCCCC2)c1[N+](=O)[O-] ZINC000435592735 458168198 /nfs/dbraw/zinc/16/81/98/458168198.db2.gz JCHWUZVEHJAQMV-CQSZACIVSA-N 1 0 335.452 3.100 20 5 EGBDRO CC[NH+](CC)[C@@H](CNc1ncccc1[N+](=O)[O-])c1cccc(OC)c1 ZINC000358766666 458203009 /nfs/dbraw/zinc/20/30/09/458203009.db2.gz AZZKIYZNJZIELX-KRWDZBQOSA-N 1 0 344.415 3.493 20 5 EGBDRO C[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CCC(C)(C)CC1 ZINC000446744262 458224620 /nfs/dbraw/zinc/22/46/20/458224620.db2.gz XYASTEYEGJULIP-MRXNPFEDSA-N 1 0 336.432 3.235 20 5 EGBDRO CC[N@@H+]1CCC[C@H](CNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000436319861 458288509 /nfs/dbraw/zinc/28/85/09/458288509.db2.gz RKKRXOPLJDWESN-SNVBAGLBSA-N 1 0 332.326 3.152 20 5 EGBDRO CN(C)C1(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCCCC1 ZINC000447520374 458303068 /nfs/dbraw/zinc/30/30/68/458303068.db2.gz TUTWITSTQZQWKH-JKSUJKDBSA-N 1 0 349.479 3.129 20 5 EGBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCCc2ccccc2)n1 ZINC000447521310 458304379 /nfs/dbraw/zinc/30/43/79/458304379.db2.gz WCBAYHFCNQRQTJ-SJORKVTESA-N 1 0 328.416 3.497 20 5 EGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]Cc2cc(F)cc(F)c2)n1 ZINC000447548117 458308986 /nfs/dbraw/zinc/30/89/86/458308986.db2.gz GFRZPSXNAICGQF-HUUCEWRRSA-N 1 0 336.342 3.343 20 5 EGBDRO CCOCCC1(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000447590017 458318133 /nfs/dbraw/zinc/31/81/33/458318133.db2.gz ZSONOKBIUJXWKS-CABCVRRESA-N 1 0 336.436 3.071 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](CCO)[C@@H]1CC[C@H](C)C1 ZINC000429758763 458367610 /nfs/dbraw/zinc/36/76/10/458367610.db2.gz JOBLUSQIMIDAHC-GOEBONIOSA-N 1 0 336.432 3.365 20 5 EGBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000429810233 458374467 /nfs/dbraw/zinc/37/44/67/458374467.db2.gz UECGEIRDBGBWEL-OAHLLOKOSA-N 1 0 347.459 3.109 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000448065702 458385975 /nfs/dbraw/zinc/38/59/75/458385975.db2.gz XQAACROFKRUSAX-INIZCTEOSA-N 1 0 348.447 3.454 20 5 EGBDRO C[C@H](CC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)[C@@H]1CCC[NH2+]C1 ZINC000423721957 458475384 /nfs/dbraw/zinc/47/53/84/458475384.db2.gz JAXISMSAITUBAD-HUUCEWRRSA-N 1 0 345.443 3.112 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@@H](C)C(=O)OC(C)(C)C ZINC000459809450 458483407 /nfs/dbraw/zinc/48/34/07/458483407.db2.gz PMQFDBCWEQPFJM-GFCCVEGCSA-N 1 0 338.404 3.013 20 5 EGBDRO C[C@@H](C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccc(F)cc1 ZINC000438092286 458529962 /nfs/dbraw/zinc/52/99/62/458529962.db2.gz FXNROJYDKUHFPK-XJKSGUPXSA-N 1 0 344.390 3.419 20 5 EGBDRO C[C@H]1CCN(C(=O)c2cc3ccccc3c3cccnc23)C[C@H]1C[NH3+] ZINC000424000243 458534675 /nfs/dbraw/zinc/53/46/75/458534675.db2.gz BNWMUTPGMNTYEX-GOEBONIOSA-N 1 0 333.435 3.445 20 5 EGBDRO CN(C(=O)Cc1ccc([N+](=O)[O-])cc1)C(C)(C)C[NH+]1CCCCCC1 ZINC000493938073 458603408 /nfs/dbraw/zinc/60/34/08/458603408.db2.gz VYUJXUPHMRUNNG-UHFFFAOYSA-N 1 0 347.459 3.250 20 5 EGBDRO [NH3+]C1(c2noc(-c3c[nH]c4ccc([N+](=O)[O-])cc34)n2)CCCCC1 ZINC000424346130 458622805 /nfs/dbraw/zinc/62/28/05/458622805.db2.gz OHEWAKKYGJPSKN-UHFFFAOYSA-N 1 0 327.344 3.244 20 5 EGBDRO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494436216 458676748 /nfs/dbraw/zinc/67/67/48/458676748.db2.gz PQTPQFXGGPTEEM-BMIGLBTASA-N 1 0 343.349 3.186 20 5 EGBDRO CCc1ccc(C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)cc1[N+](=O)[O-] ZINC000471438375 458694186 /nfs/dbraw/zinc/69/41/86/458694186.db2.gz YONQNQGZGKZXBX-QGZVFWFLSA-N 1 0 345.443 3.152 20 5 EGBDRO C[NH+](C)[C@H]1CCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1Br ZINC000503591769 458717436 /nfs/dbraw/zinc/71/74/36/458717436.db2.gz JLQJACGNQWSKKC-STQMWFEESA-N 1 0 328.210 3.252 20 5 EGBDRO CCc1ccc(C(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000471788693 458729982 /nfs/dbraw/zinc/72/99/82/458729982.db2.gz OGEAHRBXKMQNCQ-ZIAGYGMSSA-N 1 0 333.432 3.007 20 5 EGBDRO CCC[N@H+](CC)CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000472226507 458775540 /nfs/dbraw/zinc/77/55/40/458775540.db2.gz SIXLOFLQQPQUJS-UHFFFAOYSA-N 1 0 335.429 3.271 20 5 EGBDRO C[N@H+](CCOCc1ccccc1)CCOc1cccc([N+](=O)[O-])c1 ZINC000464854089 458784884 /nfs/dbraw/zinc/78/48/84/458784884.db2.gz PXIHZHMOTPSCJC-UHFFFAOYSA-N 1 0 330.384 3.122 20 5 EGBDRO CCC[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000548160478 458847213 /nfs/dbraw/zinc/84/72/13/458847213.db2.gz TVRXPKWSCSPCIT-UWWQBHOKSA-N 1 0 336.432 3.283 20 5 EGBDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000518796773 458894663 /nfs/dbraw/zinc/89/46/63/458894663.db2.gz ZCUJAVGJQFFCRM-OAHLLOKOSA-N 1 0 337.395 3.118 20 5 EGBDRO COc1ccc(OCC[N@H+](C)C2Cc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000441231240 458904143 /nfs/dbraw/zinc/90/41/43/458904143.db2.gz KMDQKPQPGFFOFB-UHFFFAOYSA-N 1 0 342.395 3.081 20 5 EGBDRO COc1ccc(OC)c(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000566474588 458944480 /nfs/dbraw/zinc/94/44/80/458944480.db2.gz HRKHOFGYDWCNPB-MRXNPFEDSA-N 1 0 328.368 3.389 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000475563421 458951498 /nfs/dbraw/zinc/95/14/98/458951498.db2.gz FYTURDFJHODWBV-WFASDCNBSA-N 1 0 348.447 3.454 20 5 EGBDRO C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C(C)(C)C[NH+](C)C ZINC000467237276 458960457 /nfs/dbraw/zinc/96/04/57/458960457.db2.gz VNLOIPNCCZKEOG-SNVBAGLBSA-N 1 0 342.827 3.346 20 5 EGBDRO COc1cccc2c1CC[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])C2 ZINC000467990478 458994008 /nfs/dbraw/zinc/99/40/08/458994008.db2.gz MGNCNSNJFKRFAQ-MRXNPFEDSA-N 1 0 326.396 3.293 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 ZINC000532198339 459046455 /nfs/dbraw/zinc/04/64/55/459046455.db2.gz RNMJXAHYODBFGE-OAGGEKHMSA-N 1 0 349.475 3.442 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CC[C@](O)(C(F)(F)F)C1 ZINC000589949551 459055867 /nfs/dbraw/zinc/05/58/67/459055867.db2.gz CADYCUFYORZALK-COPLHBTASA-N 1 0 332.322 3.400 20 5 EGBDRO O=C(CC[NH2+][C@@H]1CCOC2(CCCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000577603007 459059355 /nfs/dbraw/zinc/05/93/55/459059355.db2.gz XNNFJPATEOXVSO-CQSZACIVSA-N 1 0 347.415 3.005 20 5 EGBDRO COc1ccc(C[NH+](C)C)cc1NC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000520470529 459063196 /nfs/dbraw/zinc/06/31/96/459063196.db2.gz SMJCHTSWGLFLFU-UHFFFAOYSA-N 1 0 343.383 3.226 20 5 EGBDRO COc1cc(C[N@H+](C)CC(C)(C)OC)c([N+](=O)[O-])cc1OC(F)F ZINC000532340344 459070912 /nfs/dbraw/zinc/07/09/12/459070912.db2.gz CYXHWCOWMIWMRD-UHFFFAOYSA-N 1 0 348.346 3.062 20 5 EGBDRO C[C@H](C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)C(=O)OC(C)(C)C ZINC000594515141 459073231 /nfs/dbraw/zinc/07/32/31/459073231.db2.gz QSHIHZWDQIWCSX-CZUORRHYSA-N 1 0 348.443 3.483 20 5 EGBDRO CCC[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H]1CCc2ccccc2C1 ZINC000478437357 459092674 /nfs/dbraw/zinc/09/26/74/459092674.db2.gz ZXEJVWSBFJJTTN-QGZVFWFLSA-N 1 0 328.416 3.061 20 5 EGBDRO C[C@@H](C[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1)C(C)(C)C ZINC000590380602 459122196 /nfs/dbraw/zinc/12/21/96/459122196.db2.gz QJIZBVJILQYMGS-AWEZNQCLSA-N 1 0 333.432 3.035 20 5 EGBDRO C[C@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc(NC(N)=O)cc1 ZINC000578026357 459135865 /nfs/dbraw/zinc/13/58/65/459135865.db2.gz QNXUJSBPNSBPMH-ZBEGNZNMSA-N 1 0 340.383 3.424 20 5 EGBDRO C[N@@H+]1CC[C@@H]2CCN(c3ccc(C(F)(F)F)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000590580764 459154063 /nfs/dbraw/zinc/15/40/63/459154063.db2.gz HJRHKKBGAYVXSR-YGRLFVJLSA-N 1 0 329.322 3.144 20 5 EGBDRO COc1ccc(-c2ccc(C[NH2+][C@@H]3CO[C@H](C)C3)o2)c([N+](=O)[O-])c1 ZINC000567853710 459178264 /nfs/dbraw/zinc/17/82/64/459178264.db2.gz LHODDTISZIIFHF-NEPJUHHUSA-N 1 0 332.356 3.130 20 5 EGBDRO COc1ccc(-c2ccc(C[NH2+][C@H](C)C3(CO)CC3)o2)c([N+](=O)[O-])c1 ZINC000594969515 459200177 /nfs/dbraw/zinc/20/01/77/459200177.db2.gz PZQAFFJWWMPHGT-GFCCVEGCSA-N 1 0 346.383 3.114 20 5 EGBDRO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000578452157 459203932 /nfs/dbraw/zinc/20/39/32/459203932.db2.gz BIJHQNVBZOMKLP-CQSZACIVSA-N 1 0 343.358 3.195 20 5 EGBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)CC[N@H+](C)C1CCCCC1 ZINC000558730919 459206003 /nfs/dbraw/zinc/20/60/03/459206003.db2.gz UIOROAHEIATMTB-UHFFFAOYSA-N 1 0 347.459 3.250 20 5 EGBDRO O=[N+]([O-])c1cc(F)ccc1N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000480574124 459206277 /nfs/dbraw/zinc/20/62/77/459206277.db2.gz BPPYIYYKTUQSHJ-IYBDPMFKSA-N 1 0 341.386 3.302 20 5 EGBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C12CCC2 ZINC000590756298 459206851 /nfs/dbraw/zinc/20/68/51/459206851.db2.gz YCNOMNCORGAPGU-LSDHHAIUSA-N 1 0 331.372 3.173 20 5 EGBDRO CC(C)O[C@H]1C[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1(C)C ZINC000590756635 459206984 /nfs/dbraw/zinc/20/69/84/459206984.db2.gz DNURCXQUTRMAJX-CABCVRRESA-N 1 0 333.388 3.418 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000595009701 459213872 /nfs/dbraw/zinc/21/38/72/459213872.db2.gz CXNOUDRERYLRBS-GJZGRUSLSA-N 1 0 335.448 3.374 20 5 EGBDRO C[C@@H](CCNC(=O)OC(C)(C)C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000496494222 459215184 /nfs/dbraw/zinc/21/51/84/459215184.db2.gz VLPKPJRHNYMGKB-JTQLQIEISA-N 1 0 329.422 3.049 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](CO)[C@@H](C)c1ccccc1 ZINC000595020510 459218064 /nfs/dbraw/zinc/21/80/64/459218064.db2.gz ZWZWXIRKRSXPJO-SUNYJGFJSA-N 1 0 344.411 3.419 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1ccc2c(c1)COC2 ZINC000595022160 459218482 /nfs/dbraw/zinc/21/84/82/459218482.db2.gz JZVTYWTXSCSDEJ-LBPRGKRZSA-N 1 0 328.368 3.484 20 5 EGBDRO CSCC1(CC[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000595066007 459234313 /nfs/dbraw/zinc/23/43/13/459234313.db2.gz ICVWMSDEGAYBCU-UONOGXRCSA-N 1 0 338.477 3.398 20 5 EGBDRO COC(C)(C)C[N@H+](C)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000533482986 459241104 /nfs/dbraw/zinc/24/11/04/459241104.db2.gz URGXSDRNJFHBNX-LLVKDONJSA-N 1 0 334.376 3.063 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H](O)[C@@H](C)c1ccccc1 ZINC000595107643 459247233 /nfs/dbraw/zinc/24/72/33/459247233.db2.gz OZSCLPWPPHKLGW-SUNYJGFJSA-N 1 0 344.411 3.419 20 5 EGBDRO C[C@H](c1ccccc1)[C@H](O)C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000595109945 459248500 /nfs/dbraw/zinc/24/85/00/459248500.db2.gz XKPOHCQUGQGMDF-OMWUSAIZSA-N 1 0 326.396 3.336 20 5 EGBDRO COc1ccc(NC(=O)C[N@@H+]2CC(C)(C)[C@@H]3CCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000559424511 459259575 /nfs/dbraw/zinc/25/95/75/459259575.db2.gz BVYVXQLFPLFQQW-HIFRSBDPSA-N 1 0 347.415 3.052 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@H](C2CCC2)C1 ZINC000591061796 459302822 /nfs/dbraw/zinc/30/28/22/459302822.db2.gz IRAQSGKWORYYPV-JSGCOSHPSA-N 1 0 347.415 3.052 20 5 EGBDRO CCOC(=O)C[C@](C)([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])C(C)C ZINC000595451360 459307075 /nfs/dbraw/zinc/30/70/75/459307075.db2.gz XCJAPDSUOWWJSW-INIZCTEOSA-N 1 0 326.368 3.191 20 5 EGBDRO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])[C@@H]1OC ZINC000482526209 459312264 /nfs/dbraw/zinc/31/22/64/459312264.db2.gz DKYLFVCOWQSWQN-HSAPRAMBSA-N 1 0 348.443 3.088 20 5 EGBDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000595482648 459319214 /nfs/dbraw/zinc/31/92/14/459319214.db2.gz SYTBDKWRTKFIHY-HUUCEWRRSA-N 1 0 348.447 3.075 20 5 EGBDRO C[N@@H+]1CCC[C@@]2(CCN(c3nccc4ccc([N+](=O)[O-])cc43)C2)C1 ZINC000591162379 459326491 /nfs/dbraw/zinc/32/64/91/459326491.db2.gz WVBRPFKNCXJKGI-GOSISDBHSA-N 1 0 326.400 3.065 20 5 EGBDRO [NH3+]Cc1cccc(NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000591309732 459350537 /nfs/dbraw/zinc/35/05/37/459350537.db2.gz CGFXVADADMFPJL-UHFFFAOYSA-N 1 0 340.383 3.250 20 5 EGBDRO CC(C)(C)[C@@H]1CCC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000483248800 459353947 /nfs/dbraw/zinc/35/39/47/459353947.db2.gz GPATTYICVZMKNW-GDBMZVCRSA-N 1 0 336.432 3.093 20 5 EGBDRO CCOc1cc(C[N@H+](C)[C@@H](CO)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000595591501 459357925 /nfs/dbraw/zinc/35/79/25/459357925.db2.gz IZSAITPYBGOSBX-QGZVFWFLSA-N 1 0 344.411 3.029 20 5 EGBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000483714064 459384870 /nfs/dbraw/zinc/38/48/70/459384870.db2.gz NVPYNHWABMTXKO-DZKIICNBSA-N 1 0 348.447 3.170 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](NC[C@H]2CCCC[NH2+]2)c2ccccc2)c1 ZINC000591577896 459405750 /nfs/dbraw/zinc/40/57/50/459405750.db2.gz LWPCTHXTUXEVHZ-MJGOQNOKSA-N 1 0 325.412 3.416 20 5 EGBDRO COCC[N@H+](CCOc1ccccc1[N+](=O)[O-])C[C@@H]1CC=CCC1 ZINC000485104876 459441434 /nfs/dbraw/zinc/44/14/34/459441434.db2.gz KQIWYINWQOQFAB-MRXNPFEDSA-N 1 0 334.416 3.278 20 5 EGBDRO C[C@H](C[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000541350420 459447960 /nfs/dbraw/zinc/44/79/60/459447960.db2.gz ZEIPSQLNEPAPOO-NVXWUHKLSA-N 1 0 344.411 3.070 20 5 EGBDRO O=[N+]([O-])c1ccc(N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)s1 ZINC000591829889 459450526 /nfs/dbraw/zinc/45/05/26/459450526.db2.gz TZVMVBXTLPHAEZ-LSDHHAIUSA-N 1 0 329.425 3.367 20 5 EGBDRO CC(C)(C)[C@@H]1CC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000541390453 459453240 /nfs/dbraw/zinc/45/32/40/459453240.db2.gz RHUYKTJEIKGYEL-CYBMUJFWSA-N 1 0 347.415 3.261 20 5 EGBDRO COc1ccc(NC(=O)[C@H](C)[NH2+]C2(CC(C)C)CC2)c([N+](=O)[O-])c1 ZINC000595831051 459456216 /nfs/dbraw/zinc/45/62/16/459456216.db2.gz LJJQWXZBAIMRJO-LBPRGKRZSA-N 1 0 335.404 3.099 20 5 EGBDRO CCc1ccc([C@H](NCC[N@@H+](C)CC)c2ccc([N+](=O)[O-])cc2)o1 ZINC000541547431 459464848 /nfs/dbraw/zinc/46/48/48/459464848.db2.gz IPVQFJSEGOJPRM-GOSISDBHSA-N 1 0 331.416 3.381 20 5 EGBDRO C[C@]1(Cc2cccc(F)c2)CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000583082400 459480044 /nfs/dbraw/zinc/48/00/44/459480044.db2.gz VLXFVWBVPKSEFA-QGZVFWFLSA-N 1 0 332.379 3.028 20 5 EGBDRO CCC[NH+](CCC)CCCNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000541832483 459495855 /nfs/dbraw/zinc/49/58/55/459495855.db2.gz MGNKADJMKVFJPU-UHFFFAOYSA-N 1 0 340.399 3.368 20 5 EGBDRO CC[N@H+](C)C[C@H]1CCN(c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000596142484 459534211 /nfs/dbraw/zinc/53/42/11/459534211.db2.gz MSOSNQIBLSQQBM-LLVKDONJSA-N 1 0 342.237 3.135 20 5 EGBDRO COC1CC[NH+](CCNc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)CC1 ZINC000596158523 459542294 /nfs/dbraw/zinc/54/22/94/459542294.db2.gz GAOUOFMQOQMHDM-UHFFFAOYSA-N 1 0 347.337 3.136 20 5 EGBDRO Cc1cc(NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c([N+](=O)[O-])s1 ZINC000596189539 459555662 /nfs/dbraw/zinc/55/56/62/459555662.db2.gz JPIOLPZIXHBMKS-OAHLLOKOSA-N 1 0 347.440 3.143 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC([C@@H]2NC(=O)C2(C)C)CC1 ZINC000562477680 459568836 /nfs/dbraw/zinc/56/88/36/459568836.db2.gz NFQSMPZVTFZHQX-GUYCJALGSA-N 1 0 345.443 3.201 20 5 EGBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000596243778 459573550 /nfs/dbraw/zinc/57/35/50/459573550.db2.gz JJQZLKFZIXOVTI-WFASDCNBSA-N 1 0 344.390 3.325 20 5 EGBDRO CC[C@H](C)C[C@H](CO)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000592374364 459583313 /nfs/dbraw/zinc/58/33/13/459583313.db2.gz CMCKZLFWQCFTPV-CMPLNLGQSA-N 1 0 332.347 3.083 20 5 EGBDRO Cc1cc(C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000498374156 459586439 /nfs/dbraw/zinc/58/64/39/459586439.db2.gz PXXZVOAYBPFUQH-KRWDZBQOSA-N 1 0 333.432 3.144 20 5 EGBDRO CC[NH+](CC)Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)o1 ZINC000592408624 459595495 /nfs/dbraw/zinc/59/54/95/459595495.db2.gz IDFDQRWNYJXWTE-UHFFFAOYSA-N 1 0 347.371 3.291 20 5 EGBDRO CN(Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC000592428491 459598242 /nfs/dbraw/zinc/59/82/42/459598242.db2.gz RQQXVQAWZWQXCL-HNNXBMFYSA-N 1 0 345.374 3.320 20 5 EGBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@H]1CCCc2sccc21 ZINC000563014246 459696184 /nfs/dbraw/zinc/69/61/84/459696184.db2.gz RNCWPIIIJMZFJS-JSGCOSHPSA-N 1 0 348.424 3.063 20 5 EGBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000543856532 459708024 /nfs/dbraw/zinc/70/80/24/459708024.db2.gz HRBGINMQPOJXFD-AWEZNQCLSA-N 1 0 337.851 3.412 20 5 EGBDRO CC(C)C[C@H]1CCC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000544145061 459733006 /nfs/dbraw/zinc/73/30/06/459733006.db2.gz DCMIQYSOHZNIAP-CVEARBPZSA-N 1 0 336.432 3.093 20 5 EGBDRO CCc1cccc(OC[C@H](O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000584486726 459752877 /nfs/dbraw/zinc/75/28/77/459752877.db2.gz ROPWTVAWXLPXEN-KBXCAEBGSA-N 1 0 344.411 3.248 20 5 EGBDRO CC1(C)C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@@H]2CCC[C@H]21 ZINC000584842860 459813529 /nfs/dbraw/zinc/81/35/29/459813529.db2.gz BNOBXTKAXOTPMG-HZPDHXFCSA-N 1 0 332.400 3.472 20 5 EGBDRO CCO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000545456872 459833907 /nfs/dbraw/zinc/83/39/07/459833907.db2.gz YUFSJTJVIOLNPP-VYCZESIESA-N 1 0 348.443 3.090 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC000585718690 459836265 /nfs/dbraw/zinc/83/62/65/459836265.db2.gz SYODIWYHFWZRAZ-SJORKVTESA-N 1 0 347.459 3.151 20 5 EGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]Cc1ccnc(N2CCCC2)c1 ZINC000574583100 459837493 /nfs/dbraw/zinc/83/74/93/459837493.db2.gz DMONTZMAKDKOMX-QGZVFWFLSA-N 1 0 338.411 3.367 20 5 EGBDRO COc1cc(CN2CCC[C@@H]2c2ccccn2)c([N+](=O)[O-])cc1F ZINC000545930684 459874905 /nfs/dbraw/zinc/87/49/05/459874905.db2.gz XWABJXRHGVTJLN-OAHLLOKOSA-N 1 0 331.347 3.475 20 5 EGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@@H]1CCO[C@@H](c2ccccn2)C1 ZINC000574889584 459889585 /nfs/dbraw/zinc/88/95/85/459889585.db2.gz CDJAJLRKTAKOCI-VVFCZOMOSA-N 1 0 339.395 3.487 20 5 EGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000602453770 459945186 /nfs/dbraw/zinc/94/51/86/459945186.db2.gz OVKPXVHYFPKZTL-CQSZACIVSA-N 1 0 343.349 3.284 20 5 EGBDRO CN(c1ccccc1)c1ccc(C[NH2+][C@@H](CO)CCF)cc1[N+](=O)[O-] ZINC000593687477 459950857 /nfs/dbraw/zinc/95/08/57/459950857.db2.gz CWUWEKHWMCAEGB-OAHLLOKOSA-N 1 0 347.390 3.173 20 5 EGBDRO C[C@H](C1CCCCC1)[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000575333371 459962966 /nfs/dbraw/zinc/96/29/66/459962966.db2.gz KVCAXLAFUYNNCS-RHSMWYFYSA-N 1 0 336.432 3.235 20 5 EGBDRO COc1cc(CCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc(OC)c1O ZINC000598648863 459977563 /nfs/dbraw/zinc/97/75/63/459977563.db2.gz MDVMRAAKVHTROY-UHFFFAOYSA-N 1 0 346.383 3.040 20 5 EGBDRO CC[N@H+](C)C[C@H]1CCN(c2ccc(C(F)(F)F)c([N+](=O)[O-])c2)C1 ZINC000589112039 460033043 /nfs/dbraw/zinc/03/30/43/460033043.db2.gz RDQQCMGGPFIMAX-LLVKDONJSA-N 1 0 331.338 3.392 20 5 EGBDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cccc4ncccc34)CC2)n1 ZINC000602637984 460036344 /nfs/dbraw/zinc/03/63/44/460036344.db2.gz PTKUVSQBDLWLNR-UHFFFAOYSA-N 1 0 337.383 3.177 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@@]2(CO)C[C@@H]2c2ccc(F)cc2)cc1 ZINC000602640743 460038135 /nfs/dbraw/zinc/03/81/35/460038135.db2.gz ZMBOTDYYBXOYNQ-RTBURBONSA-N 1 0 344.386 3.032 20 5 EGBDRO C[N@H+](CCc1noc2ccccc21)CCc1ccccc1[N+](=O)[O-] ZINC000593986882 460041673 /nfs/dbraw/zinc/04/16/73/460041673.db2.gz JYDWCSZTWGNHFV-UHFFFAOYSA-N 1 0 325.368 3.453 20 5 EGBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CC[C@H](c3ccncc3)C2)cc1 ZINC000593989575 460042932 /nfs/dbraw/zinc/04/29/32/460042932.db2.gz UXWDYUPSMROBNM-INIZCTEOSA-N 1 0 327.384 3.248 20 5 EGBDRO C[C@H]1COCC[C@H]1C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602656973 460047304 /nfs/dbraw/zinc/04/73/04/460047304.db2.gz VLZMINOPGUGBSF-IUCAKERBSA-N 1 0 349.250 3.181 20 5 EGBDRO CC(C)(C)[N@@H+]1CCCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000610062063 460058324 /nfs/dbraw/zinc/05/83/24/460058324.db2.gz JMBXMDRAXPWOPK-UHFFFAOYSA-N 1 0 347.459 3.205 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCO[C@@H](c3ccncc3)C2)cc1 ZINC000602682664 460062862 /nfs/dbraw/zinc/06/28/62/460062862.db2.gz NZNIPZSQODCSEO-SJLPKXTDSA-N 1 0 327.384 3.042 20 5 EGBDRO C[C@@H]1C[C@H]([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CS1 ZINC000602691283 460069162 /nfs/dbraw/zinc/06/91/62/460069162.db2.gz QLOBRWHCVSUEFT-RQJHMYQMSA-N 1 0 337.264 3.402 20 5 EGBDRO C[C@@H]1CC[C@@H](C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)O1 ZINC000602691672 460069395 /nfs/dbraw/zinc/06/93/95/460069395.db2.gz ZGLMQCDFNNHCAE-SFYZADRCSA-N 1 0 335.223 3.076 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](CC(=O)OC(C)C)C(C)C ZINC000594039845 460069643 /nfs/dbraw/zinc/06/96/43/460069643.db2.gz JMDFXZLDTVGXTJ-HNNXBMFYSA-N 1 0 338.404 3.059 20 5 EGBDRO C[C@H](CO)C1CC[NH+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602699130 460072127 /nfs/dbraw/zinc/07/21/27/460072127.db2.gz MFWLOVOPYFXAHU-LLVKDONJSA-N 1 0 346.349 3.454 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000589375761 460081090 /nfs/dbraw/zinc/08/10/90/460081090.db2.gz MOSOYSUMYHYECC-CYBMUJFWSA-N 1 0 334.420 3.009 20 5 EGBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)Nc1cc([N+](=O)[O-])ccc1CC ZINC000589372746 460081473 /nfs/dbraw/zinc/08/14/73/460081473.db2.gz CPXPUUNXVJXYBK-CYBMUJFWSA-N 1 0 336.436 3.399 20 5 EGBDRO C[N@@H+]1CCCC[C@H](CNCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602725117 460088338 /nfs/dbraw/zinc/08/83/38/460088338.db2.gz XKFOJOSFPXLASQ-GFCCVEGCSA-N 1 0 345.365 3.435 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)c1 ZINC000610239032 460092324 /nfs/dbraw/zinc/09/23/24/460092324.db2.gz WDXFVRJJZUWBIX-UHFFFAOYSA-N 1 0 333.432 3.096 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCC[C@@H]1[C@@H](C)C[NH+](C)C ZINC000602755397 460107052 /nfs/dbraw/zinc/10/70/52/460107052.db2.gz FIDRGIBJWMKXLT-WMLDXEAASA-N 1 0 348.447 3.487 20 5 EGBDRO CC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])[C@@H](C)c1cccc(OC)c1 ZINC000602763049 460112512 /nfs/dbraw/zinc/11/25/12/460112512.db2.gz JJWCOVGCVBMZBN-ZDUSSCGKSA-N 1 0 332.404 3.191 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@H](Cc2ccccc2)[C@@H]1C ZINC000602781193 460121543 /nfs/dbraw/zinc/12/15/43/460121543.db2.gz IGLYGKIXIMFXED-WMLDXEAASA-N 1 0 328.416 3.053 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@H](C)C[C@H]1c1cccc(F)c1 ZINC000602784510 460123916 /nfs/dbraw/zinc/12/39/16/460123916.db2.gz ROGILKHCQAFSMH-WBMJQRKESA-N 1 0 332.379 3.322 20 5 EGBDRO Cc1ccc([C@@H]2C[C@@H](C)CC[N@@H+]2CCn2c(C)ncc2[N+](=O)[O-])o1 ZINC000602788464 460126018 /nfs/dbraw/zinc/12/60/18/460126018.db2.gz XVUDXYYFFBITMD-WFASDCNBSA-N 1 0 332.404 3.474 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@@H](c2ccc(C)cc2)C[C@@H]1C ZINC000602819392 460144435 /nfs/dbraw/zinc/14/44/35/460144435.db2.gz ARHGAAXHAWNQEG-YOEHRIQHSA-N 1 0 328.416 3.286 20 5 EGBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cccc2c1CCOC2 ZINC000602822427 460146283 /nfs/dbraw/zinc/14/62/83/460146283.db2.gz FDFQFBVPOSFMQG-UHFFFAOYSA-N 1 0 326.396 3.342 20 5 EGBDRO CCOc1ccc([C@H](C)NC[C@@H]2CCCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000599070622 460150630 /nfs/dbraw/zinc/15/06/30/460150630.db2.gz MBEIKPSISYKULF-GJZGRUSLSA-N 1 0 335.448 3.376 20 5 EGBDRO Cc1n[nH]cc1[C@H](C)[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000618798329 460180657 /nfs/dbraw/zinc/18/06/57/460180657.db2.gz PPRYNFCRPGQQHD-QMMMGPOBSA-N 1 0 328.294 3.496 20 5 EGBDRO C[C@@H](C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)[NH+](C)C ZINC000610561794 460184099 /nfs/dbraw/zinc/18/40/99/460184099.db2.gz QNCQVSIVVVJJEL-LBPRGKRZSA-N 1 0 329.356 3.276 20 5 EGBDRO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCc4ccc(O)cc4CC3)nc2c1 ZINC000610581400 460188752 /nfs/dbraw/zinc/18/87/52/460188752.db2.gz RROHZYRWVLTIKY-UHFFFAOYSA-N 1 0 339.351 3.042 20 5 EGBDRO CC[NH+]1CCC(N[C@@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)CC1 ZINC000576709399 460198663 /nfs/dbraw/zinc/19/86/63/460198663.db2.gz SBDRRXMECMMSKI-AWEZNQCLSA-N 1 0 331.338 3.272 20 5 EGBDRO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)cc([N+](=O)[O-])c1 ZINC000598217781 460208442 /nfs/dbraw/zinc/20/84/42/460208442.db2.gz BMPDRTWGPVFSCM-OAHLLOKOSA-N 1 0 331.416 3.040 20 5 EGBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000610721050 460225513 /nfs/dbraw/zinc/22/55/13/460225513.db2.gz PCKVMDHQHAAUMP-GDBMZVCRSA-N 1 0 348.447 3.138 20 5 EGBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000610722107 460225955 /nfs/dbraw/zinc/22/59/55/460225955.db2.gz GSEQYKOPYOALRB-OAHLLOKOSA-N 1 0 348.447 3.004 20 5 EGBDRO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H](C)C1(F)F ZINC000599514138 460264708 /nfs/dbraw/zinc/26/47/08/460264708.db2.gz UQUDYFPYSDXNQW-TXEJJXNPSA-N 1 0 341.358 3.147 20 5 EGBDRO CN(CCCC[NH+]1CCCCC1)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000603406281 460298817 /nfs/dbraw/zinc/29/88/17/460298817.db2.gz JHXRKZADGBWMIS-UHFFFAOYSA-N 1 0 337.395 3.072 20 5 EGBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@H](C[C@H]3CCOC3)C2)c1 ZINC000611350472 460343614 /nfs/dbraw/zinc/34/36/14/460343614.db2.gz NMLMXFBJMBKJQU-HZPDHXFCSA-N 1 0 334.416 3.112 20 5 EGBDRO C[C@@H]1CCC[N@H+](CCCCNc2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000603859842 460349527 /nfs/dbraw/zinc/34/95/27/460349527.db2.gz AFNHKWDVLXYDMO-OAHLLOKOSA-N 1 0 342.443 3.489 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCN(c2ccccc2)CC1 ZINC000603869633 460351357 /nfs/dbraw/zinc/35/13/57/460351357.db2.gz MVDLZKNIWLHYRB-UHFFFAOYSA-N 1 0 341.411 3.316 20 5 EGBDRO C[NH+](C)CCOc1ccc(CCNc2sccc2[N+](=O)[O-])cc1 ZINC000611412579 460359402 /nfs/dbraw/zinc/35/94/02/460359402.db2.gz HMUMIZJFFFMLPX-UHFFFAOYSA-N 1 0 335.429 3.251 20 5 EGBDRO CC[C@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CCCCC1 ZINC000611433702 460364340 /nfs/dbraw/zinc/36/43/40/460364340.db2.gz MFACSMSGFCCZHA-KRWDZBQOSA-N 1 0 345.443 3.432 20 5 EGBDRO CC[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000611433799 460364689 /nfs/dbraw/zinc/36/46/89/460364689.db2.gz WISLIDGJVYHXQP-AEFFLSMTSA-N 1 0 336.432 3.283 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000611515188 460384030 /nfs/dbraw/zinc/38/40/30/460384030.db2.gz HHJYRMVHMWDSMJ-WMZOPIPTSA-N 1 0 347.459 3.151 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CC3CC3)C2)c(Br)c1 ZINC000619586970 460390381 /nfs/dbraw/zinc/39/03/81/460390381.db2.gz LUDGNSWUYNGUSL-NSHDSACASA-N 1 0 340.221 3.254 20 5 EGBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccccc1Nc1cc[nH+]cc1 ZINC000619582010 460390497 /nfs/dbraw/zinc/39/04/97/460390497.db2.gz UIVCGMXNOPMMCG-UHFFFAOYSA-N 1 0 348.362 3.337 20 5 EGBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000600316254 460472120 /nfs/dbraw/zinc/47/21/20/460472120.db2.gz YMNTXZFWYZYGTF-DLBZAZTESA-N 1 0 347.459 3.012 20 5 EGBDRO CC(C)c1ccc(C(=O)NC[C@H]2CCCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000600316309 460472478 /nfs/dbraw/zinc/47/24/78/460472478.db2.gz ZJERHHSKPBAAMC-CQSZACIVSA-N 1 0 333.432 3.180 20 5 EGBDRO C[N@@H+]1CC[C@@H]2CN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)C[C@@H]2C1 ZINC000601184845 460743669 /nfs/dbraw/zinc/74/36/69/460743669.db2.gz PAGLIZZWUMDNCT-CVEARBPZSA-N 1 0 338.411 3.045 20 5 EGBDRO COc1cc(C[NH+](C)C)ccc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000601622815 460849218 /nfs/dbraw/zinc/84/92/18/460849218.db2.gz VSPYUSQXQSLSPT-UHFFFAOYSA-N 1 0 343.383 3.226 20 5 EGBDRO CCC1(CC)[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@H]1OC ZINC000617547738 460900506 /nfs/dbraw/zinc/90/05/06/460900506.db2.gz VDXQEIGUQFATLW-GJZGRUSLSA-N 1 0 333.388 3.419 20 5 EGBDRO C[C@H]([NH2+]CCCNC(=O)c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000178654769 533853037 /nfs/dbraw/zinc/85/30/37/533853037.db2.gz HDTSOMZZGAODLV-ZDUSSCGKSA-N 1 0 345.374 3.205 20 5 EGBDRO CC(C)CCSc1ccc(C(=O)N(C)[C@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000236601144 534910464 /nfs/dbraw/zinc/91/04/64/534910464.db2.gz UUMBOXOXZKGZKC-GFCCVEGCSA-N 1 0 339.461 3.152 20 5 EGBDRO CC[NH+]1CCN(c2cccc(NCc3cccc([N+](=O)[O-])c3)c2)CC1 ZINC000191884989 527711393 /nfs/dbraw/zinc/71/13/93/527711393.db2.gz BJTYUGUOZFOVET-UHFFFAOYSA-N 1 0 340.427 3.349 20 5 EGBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000174758952 528175786 /nfs/dbraw/zinc/17/57/86/528175786.db2.gz JUDARDWOLOSMRS-LBPRGKRZSA-N 1 0 339.823 3.052 20 5 EGBDRO CC[C@@H]1CCCCN1C(=O)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181816637 529269891 /nfs/dbraw/zinc/26/98/91/529269891.db2.gz YTTNGECIOXEZQX-GOEBONIOSA-N 1 0 333.432 3.345 20 5 EGBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)C12CCCC2 ZINC000344625658 535509161 /nfs/dbraw/zinc/50/91/61/535509161.db2.gz JOFYQUSSWJFABH-DLBZAZTESA-N 1 0 334.416 3.431 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)[C@@H]1COc2ccccc21 ZINC000185555707 536955736 /nfs/dbraw/zinc/95/57/36/536955736.db2.gz LXVSVOGZEPJDFX-LRDDRELGSA-N 1 0 328.368 3.258 20 5 EGBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000733209428 575320838 /nfs/dbraw/zinc/32/08/38/575320838.db2.gz LTUBMZOYSZIPPP-CQSZACIVSA-N 1 0 336.461 3.146 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2noc(-c3ccc(-n4ccnc4)cc3)n2)c1 ZINC000733740128 575387386 /nfs/dbraw/zinc/38/73/86/575387386.db2.gz OVHQPHYCRITTEU-UHFFFAOYSA-N 1 0 333.307 3.498 20 5 EGBDRO COc1ccc(CC[N@H+](Cn2cc([N+](=O)[O-])cn2)CC(C)(C)C)cc1 ZINC000734476533 575497704 /nfs/dbraw/zinc/49/77/04/575497704.db2.gz SIBIDACYCWQWBS-UHFFFAOYSA-N 1 0 346.431 3.348 20 5 EGBDRO O=[N+]([O-])c1ccnn1C[N@H+](CCc1ccc(Cl)cc1)CC1CC1 ZINC000735073656 575597208 /nfs/dbraw/zinc/59/72/08/575597208.db2.gz RVCPDDNWSZRGIT-UHFFFAOYSA-N 1 0 334.807 3.357 20 5 EGBDRO CCC(CC)[N@H+](Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1)C1CC1 ZINC000742146229 576751547 /nfs/dbraw/zinc/75/15/47/576751547.db2.gz LBVLBJAVFFOMSA-UHFFFAOYSA-N 1 0 329.404 3.464 20 5 EGBDRO C[C@H]1CCC[N@@H+]1CCNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000742387700 576777776 /nfs/dbraw/zinc/77/77/76/576777776.db2.gz UKBRYGYJPUFFMC-ZDUSSCGKSA-N 1 0 346.456 3.292 20 5 EGBDRO CC(C)[NH+]1CCC(NC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000043331597 1291455596 /nfs/dbraw/zinc/45/55/96/1291455596.db2.gz WWLAPJITANAVHA-UHFFFAOYSA-N 1 0 340.811 3.243 20 5 EGBDRO CC(C)(C)CC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000071970500 1292271871 /nfs/dbraw/zinc/27/18/71/1292271871.db2.gz PPGJZWPXEBAMEY-UHFFFAOYSA-N 1 0 336.392 3.061 20 5 EGBDRO C[C@@]1(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1(Cl)Cl ZINC000828310744 1292453792 /nfs/dbraw/zinc/45/37/92/1292453792.db2.gz GNTOYNLOHCYRHC-GWCFXTLKSA-N 1 0 345.230 3.060 20 5 EGBDRO COc1cccc2c1OC[C@@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)C2 ZINC000102939369 1292986871 /nfs/dbraw/zinc/98/68/71/1292986871.db2.gz YDHBMNWSWKSAIZ-HNNXBMFYSA-N 1 0 328.368 3.005 20 5 EGBDRO CC[N@@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)C[C@@H]1CCCO1 ZINC000123000009 1293431618 /nfs/dbraw/zinc/43/16/18/1293431618.db2.gz PMGKNXPMGSJLQA-LBPRGKRZSA-N 1 0 343.221 3.358 20 5 EGBDRO CC[N@@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)C[C@H]1CCCO1 ZINC000123000206 1293431787 /nfs/dbraw/zinc/43/17/87/1293431787.db2.gz PMGKNXPMGSJLQA-GFCCVEGCSA-N 1 0 343.221 3.358 20 5 EGBDRO C[NH+](C)Cc1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000124031627 1293464049 /nfs/dbraw/zinc/46/40/49/1293464049.db2.gz BETSTJPUAVGCET-UHFFFAOYSA-N 1 0 347.802 3.240 20 5 EGBDRO CN(CCC(=O)OC(C)(C)C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000150841024 1293896332 /nfs/dbraw/zinc/89/63/32/1293896332.db2.gz ZKFBREQCQMBOTI-UHFFFAOYSA-N 1 0 328.796 3.412 20 5 EGBDRO C[C@@H]1C[C@@H](Nc2cc(Br)ccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000156201731 1294131999 /nfs/dbraw/zinc/13/19/99/1294131999.db2.gz FJQQCWZKHYKXEX-KOLCDFICSA-N 1 0 328.210 3.252 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2ncn(C[N@@H+]3CCC4(CCCC4)C3)n2)c1 ZINC000173443408 1294462128 /nfs/dbraw/zinc/46/21/28/1294462128.db2.gz JUVLUDRMKNYITC-UHFFFAOYSA-N 1 0 327.388 3.077 20 5 EGBDRO C[C@@H]([N@H+](C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1(C)CC1 ZINC000177218635 1294660542 /nfs/dbraw/zinc/66/05/42/1294660542.db2.gz STUMKBQZJYJPCU-SNVBAGLBSA-N 1 0 325.796 3.307 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cccc4[nH]ccc43)CC2)cc1 ZINC000179535210 1294801447 /nfs/dbraw/zinc/80/14/47/1294801447.db2.gz NEHAMGGDKGHMBZ-UHFFFAOYSA-N 1 0 336.395 3.398 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCOC[C@@H]1CCCO1 ZINC000872036094 1296687836 /nfs/dbraw/zinc/68/78/36/1296687836.db2.gz RTRSZRTWTQJERM-OCCSQVGLSA-N 1 0 340.445 3.163 20 5 EGBDRO COCCOC[C@H](C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872049846 1296701012 /nfs/dbraw/zinc/70/10/12/1296701012.db2.gz VFPSKFBBGVRJGE-RYUDHWBXSA-N 1 0 328.434 3.019 20 5 EGBDRO COCCOC[C@@H](C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872049837 1296701133 /nfs/dbraw/zinc/70/11/33/1296701133.db2.gz VFPSKFBBGVRJGE-NEPJUHHUSA-N 1 0 328.434 3.019 20 5 EGBDRO CCNC(=O)C(C)(C)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872058450 1296705536 /nfs/dbraw/zinc/70/55/36/1296705536.db2.gz UXFOHFYHGQFXNX-LLVKDONJSA-N 1 0 339.461 3.130 20 5 EGBDRO CO[C@@H]1COCC[C@@H]1C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872074908 1296719553 /nfs/dbraw/zinc/71/95/53/1296719553.db2.gz KBJZRPRBBFSFKK-LALPHHSUSA-N 1 0 340.445 3.019 20 5 EGBDRO C[C@]1(CNc2cccnc2[N+](=O)[O-])CC[N@H+](Cc2ccccc2)C1 ZINC000310327225 1297093304 /nfs/dbraw/zinc/09/33/04/1297093304.db2.gz ZDBCRYXJZYEJEE-GOSISDBHSA-N 1 0 326.400 3.314 20 5 EGBDRO C[C@@H]1[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCN1C(=O)OC(C)(C)C ZINC000310836189 1297101892 /nfs/dbraw/zinc/10/18/92/1297101892.db2.gz LTJDVFLMSRREHP-CZUORRHYSA-N 1 0 349.431 3.472 20 5 EGBDRO C[N@@H+]1CCC[C@@H](CNc2cccc(Br)c2[N+](=O)[O-])C1 ZINC000311705035 1297110190 /nfs/dbraw/zinc/11/01/90/1297110190.db2.gz MRNOSCFULHWPJX-JTQLQIEISA-N 1 0 328.210 3.111 20 5 EGBDRO Cc1c(C[NH2+][C@@H]2CCO[C@H](c3ccncc3)C2)cccc1[N+](=O)[O-] ZINC000873131117 1297287844 /nfs/dbraw/zinc/28/78/44/1297287844.db2.gz MJQPDGZRMQMAET-AEFFLSMTSA-N 1 0 327.384 3.308 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000873836471 1297701700 /nfs/dbraw/zinc/70/17/00/1297701700.db2.gz XNKGGGUUWMUQLP-UHFFFAOYSA-N 1 0 333.432 3.063 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000874048701 1297772255 /nfs/dbraw/zinc/77/22/55/1297772255.db2.gz WOZISYICKLGJAU-AWEZNQCLSA-N 1 0 347.459 3.454 20 5 EGBDRO O=C(Nc1ccc(F)c([N+](=O)[O-])c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000875054138 1298215819 /nfs/dbraw/zinc/21/58/19/1298215819.db2.gz IGKHKSVQCZQZPQ-AWEZNQCLSA-N 1 0 343.358 3.195 20 5 EGBDRO C[N@@H+]1CCCC[C@@H]1CCOC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000747576885 1298802724 /nfs/dbraw/zinc/80/27/24/1298802724.db2.gz WXYZOAWDERSONA-LLVKDONJSA-N 1 0 326.780 3.279 20 5 EGBDRO CC[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccc(C(F)(F)F)cc1 ZINC000747959473 1298899645 /nfs/dbraw/zinc/89/96/45/1298899645.db2.gz PVTNJQBMAFHMOL-UHFFFAOYSA-N 1 0 342.321 3.332 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000876797706 1298993991 /nfs/dbraw/zinc/99/39/91/1298993991.db2.gz SZXHOGXUKGMTSX-HNNXBMFYSA-N 1 0 328.416 3.010 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000876860173 1299037996 /nfs/dbraw/zinc/03/79/96/1299037996.db2.gz UPJUAXUGNQWDBU-JKSUJKDBSA-N 1 0 345.443 3.063 20 5 EGBDRO CC(C)(C)c1ccc(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000877245560 1299220476 /nfs/dbraw/zinc/22/04/76/1299220476.db2.gz JBALTLLXNGAFGT-YOWGUQMCSA-N 1 0 345.443 3.153 20 5 EGBDRO CC(C)OCc1ccccc1C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000749672231 1299253753 /nfs/dbraw/zinc/25/37/53/1299253753.db2.gz QOIWWDUHZNMYCR-LJQANCHMSA-N 1 0 344.411 3.343 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1nnc(C[N@@H+]2CCC[C@H]3CCC[C@H]32)o1 ZINC000878134974 1299769699 /nfs/dbraw/zinc/76/96/99/1299769699.db2.gz WDJBPZMZIXGPQK-TZMCWYRMSA-N 1 0 328.372 3.409 20 5 EGBDRO Cc1ccc(C[NH+]2CCC(Nc3ccccn3)CC2)cc1[N+](=O)[O-] ZINC000878321401 1299916622 /nfs/dbraw/zinc/91/66/22/1299916622.db2.gz QFGUQMZQGBMOSO-UHFFFAOYSA-N 1 0 326.400 3.375 20 5 EGBDRO CC[C@H](CSC)[N@H+](C)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878343371 1299929225 /nfs/dbraw/zinc/92/92/25/1299929225.db2.gz BXLAKBAYEPKPDK-LLVKDONJSA-N 1 0 336.417 3.218 20 5 EGBDRO CCOc1cc(C[N@H+](CC)CCc2ccccn2)ccc1[N+](=O)[O-] ZINC000755040102 1300272544 /nfs/dbraw/zinc/27/25/44/1300272544.db2.gz JENIEOWOQRGHMW-UHFFFAOYSA-N 1 0 329.400 3.453 20 5 EGBDRO CC1(C)OCC([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CO1 ZINC000758012058 1300771471 /nfs/dbraw/zinc/77/14/71/1300771471.db2.gz JXDVAPQEPCZWLA-UHFFFAOYSA-N 1 0 332.356 3.096 20 5 EGBDRO Cc1nnc([C@@H](C)[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)s1 ZINC000760881061 1301356595 /nfs/dbraw/zinc/35/65/95/1301356595.db2.gz MYMPGOWZJUGKOB-LLVKDONJSA-N 1 0 347.444 3.074 20 5 EGBDRO C[NH+](C)C[C@H]1CCCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C1 ZINC000761213963 1301421284 /nfs/dbraw/zinc/42/12/84/1301421284.db2.gz VTZLTEYJMCTWOM-OAHLLOKOSA-N 1 0 340.427 3.435 20 5 EGBDRO Cc1nn(C[N@@H+](C)C2Cc3ccccc3C2)c2cc([N+](=O)[O-])ccc12 ZINC000761287788 1301436527 /nfs/dbraw/zinc/43/65/27/1301436527.db2.gz FNGFDOUDTKRJRK-UHFFFAOYSA-N 1 0 336.395 3.310 20 5 EGBDRO O=[N+]([O-])c1c(F)nccc1NC1CC[NH+](Cc2ccccc2)CC1 ZINC000881737716 1301708868 /nfs/dbraw/zinc/70/88/68/1301708868.db2.gz DIMVFAHNNWHGMZ-UHFFFAOYSA-N 1 0 330.363 3.205 20 5 EGBDRO C[C@@](O)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1cccc(Cl)c1 ZINC000764979002 1302180242 /nfs/dbraw/zinc/18/02/42/1302180242.db2.gz IUBUALSSFATUCJ-MRXNPFEDSA-N 1 0 338.766 3.385 20 5 EGBDRO Cc1nn(C[N@@H+]2CC[C@@H](c3ccco3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000764990721 1302181719 /nfs/dbraw/zinc/18/17/19/1302181719.db2.gz ZZDZBNRIDJHBMC-CYBMUJFWSA-N 1 0 326.356 3.293 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@H]3CCCC34OCCO4)o2)c1 ZINC000883178844 1302286743 /nfs/dbraw/zinc/28/67/43/1302286743.db2.gz GJTAPWYCOAOCJB-KRWDZBQOSA-N 1 0 344.367 3.240 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC000767723862 1302751079 /nfs/dbraw/zinc/75/10/79/1302751079.db2.gz XNJVKOWQTNGDCI-FHLIRTJZSA-N 1 0 330.359 3.460 20 5 EGBDRO COc1cc(C[N@H+](C)CCc2ccccc2F)c([N+](=O)[O-])cc1OC ZINC000769030526 1303033977 /nfs/dbraw/zinc/03/39/77/1303033977.db2.gz SMZXCPGENSROBU-UHFFFAOYSA-N 1 0 348.374 3.426 20 5 EGBDRO Cc1ccccc1C[N@@H+]1CCCN(Cc2cccnc2[N+](=O)[O-])CC1 ZINC000885941842 1303288509 /nfs/dbraw/zinc/28/85/09/1303288509.db2.gz GLRQKXDQOUTPNV-UHFFFAOYSA-N 1 0 340.427 3.006 20 5 EGBDRO CC(C)C[N@@H+](Cc1cccnc1[N+](=O)[O-])C[C@H](O)c1ccc(F)cc1 ZINC000886020649 1303321056 /nfs/dbraw/zinc/32/10/56/1303321056.db2.gz FJHHWVGQEOGDSQ-KRWDZBQOSA-N 1 0 347.390 3.321 20 5 EGBDRO C[N@H+](Cc1cccnc1[N+](=O)[O-])[C@@H]1CCCN(c2ccccc2)C1 ZINC000886033500 1303327304 /nfs/dbraw/zinc/32/73/04/1303327304.db2.gz VOGPEEOXWLVSKG-QGZVFWFLSA-N 1 0 326.400 3.091 20 5 EGBDRO CC[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000772358000 1303523639 /nfs/dbraw/zinc/52/36/39/1303523639.db2.gz VKCZFKAAIFLQDE-CMPLNLGQSA-N 1 0 325.796 3.450 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@]1(O)CCc2ccccc21 ZINC000773098582 1303625002 /nfs/dbraw/zinc/62/50/02/1303625002.db2.gz MYKAAHXKXAZEFR-IFXJQAMLSA-N 1 0 326.396 3.388 20 5 EGBDRO COCC[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H]1CC[C@@H](C)C1 ZINC000775115971 1303911358 /nfs/dbraw/zinc/91/13/58/1303911358.db2.gz RDZFUGVWOBDEJP-TZMCWYRMSA-N 1 0 337.376 3.140 20 5 EGBDRO CC[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H](C)c1cccc(O)c1 ZINC000776588608 1304176648 /nfs/dbraw/zinc/17/66/48/1304176648.db2.gz ACNRNGKCEYTHGC-ACJLOTCBSA-N 1 0 330.384 3.417 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@H+](CCC(F)(F)F)CC2CC2)cc1 ZINC000776590416 1304176941 /nfs/dbraw/zinc/17/69/41/1304176941.db2.gz DKTOCOJSSZWDGC-CQSZACIVSA-N 1 0 332.322 3.293 20 5 EGBDRO Cc1nn(C[N@@H+]2CCC[C@H]2C2CCOCC2)c2ccc([N+](=O)[O-])cc12 ZINC000776768209 1304195980 /nfs/dbraw/zinc/19/59/80/1304195980.db2.gz GAKQIJAYOOTFSW-KRWDZBQOSA-N 1 0 344.415 3.101 20 5 EGBDRO CO[C@H](C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000777013403 1304232568 /nfs/dbraw/zinc/23/25/68/1304232568.db2.gz VIRKZFIFXRRCSA-UXIGCNINSA-N 1 0 346.349 3.473 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2COC3(CCCCCC3)O2)c(F)c1 ZINC000778108868 1304397601 /nfs/dbraw/zinc/39/76/01/1304397601.db2.gz YBZAWYCXFVQPFT-HNNXBMFYSA-N 1 0 338.379 3.289 20 5 EGBDRO CC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)C1(C(=O)OC)CCC1 ZINC000779410923 1304568486 /nfs/dbraw/zinc/56/84/86/1304568486.db2.gz BUCOSPUIAMMEKS-CQSZACIVSA-N 1 0 340.807 3.460 20 5 EGBDRO Cc1cc(N2CCC([NH2+]Cc3ccc([N+](=O)[O-])c(Cl)c3)CC2)n[nH]1 ZINC000784672085 1305270842 /nfs/dbraw/zinc/27/08/42/1305270842.db2.gz IDEBWZJOEJQSAW-UHFFFAOYSA-N 1 0 349.822 3.038 20 5 EGBDRO COc1c(O)ccc(C[N@@H+]2CCCC[C@H](SC)C2)c1[N+](=O)[O-] ZINC000892233826 1305289841 /nfs/dbraw/zinc/28/98/41/1305289841.db2.gz STXRVZLADXBAAA-LBPRGKRZSA-N 1 0 326.418 3.027 20 5 EGBDRO COc1c(O)ccc(C[NH2+][C@@H](C)COc2ccc(C)cc2)c1[N+](=O)[O-] ZINC000892730933 1305526682 /nfs/dbraw/zinc/52/66/82/1305526682.db2.gz LWMBQMUXICQOOS-ZDUSSCGKSA-N 1 0 346.383 3.175 20 5 EGBDRO COc1cc([N+](=O)[O-])cnc1NC1CC[NH+](C2CCCCC2)CC1 ZINC000892777550 1305548517 /nfs/dbraw/zinc/54/85/17/1305548517.db2.gz FFJNEIBUCLTFIG-UHFFFAOYSA-N 1 0 334.420 3.207 20 5 EGBDRO CC(=O)c1cc([N+](=O)[O-])ccc1NCCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000786800215 1305631720 /nfs/dbraw/zinc/63/17/20/1305631720.db2.gz KVHCUKQTFAFURG-OKILXGFUSA-N 1 0 349.431 3.099 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@]1(O)CCc2ccccc21 ZINC000786819371 1305634735 /nfs/dbraw/zinc/63/47/35/1305634735.db2.gz BMXATYZZBXTZHS-UMDONVSZSA-N 1 0 338.407 3.422 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCN(C)C(=O)OC(C)(C)C ZINC000786814295 1305635210 /nfs/dbraw/zinc/63/52/10/1305635210.db2.gz UJXBEIFZGKICPG-SDNWHVSQSA-N 1 0 349.431 3.455 20 5 EGBDRO COc1c(O)ccc(C[NH2+][C@H](C)Cc2ccc(C)s2)c1[N+](=O)[O-] ZINC000893005410 1305651166 /nfs/dbraw/zinc/65/11/66/1305651166.db2.gz UFDCOXHLLHYTLS-SNVBAGLBSA-N 1 0 336.413 3.400 20 5 EGBDRO C[C@@H]([NH2+]C[C@@H](C1CCCCC1)N(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788540428 1305966223 /nfs/dbraw/zinc/96/62/23/1305966223.db2.gz RGGHTZIJUSWUBZ-ACJLOTCBSA-N 1 0 334.464 3.338 20 5 EGBDRO C[C@H](COc1cccc(F)c1)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788562599 1305972667 /nfs/dbraw/zinc/97/26/67/1305972667.db2.gz LOMKYZFVOPDUPS-NEPJUHHUSA-N 1 0 333.363 3.434 20 5 EGBDRO COc1cc(CC[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)ccc1C ZINC000788606506 1305980789 /nfs/dbraw/zinc/98/07/89/1305980789.db2.gz ZZRANRQRXJUKPA-CYBMUJFWSA-N 1 0 329.400 3.387 20 5 EGBDRO C[C@H]([NH2+][C@@H]1CCc2ccccc2OC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788821470 1306021960 /nfs/dbraw/zinc/02/19/60/1306021960.db2.gz FZNAWXRLVCZFTQ-SWLSCSKDSA-N 1 0 327.384 3.221 20 5 EGBDRO COc1c(O)ccc(C[NH2+][C@H](CC(F)(F)F)C(C)C)c1[N+](=O)[O-] ZINC000893895905 1306119629 /nfs/dbraw/zinc/11/96/29/1306119629.db2.gz UDJGFDSYGONGRR-SNVBAGLBSA-N 1 0 336.310 3.376 20 5 EGBDRO COc1c(O)ccc(C[NH2+]C2(Cc3ccc(F)cc3)CC2)c1[N+](=O)[O-] ZINC000894744263 1309047160 /nfs/dbraw/zinc/04/71/60/1309047160.db2.gz QFXRWQZYKZUHCS-UHFFFAOYSA-N 1 0 346.358 3.313 20 5 EGBDRO C[C@@H](O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CCCCC1 ZINC000792867306 1309247107 /nfs/dbraw/zinc/24/71/07/1309247107.db2.gz OWPFIYYPOTXNLY-GFCCVEGCSA-N 1 0 337.376 3.019 20 5 EGBDRO C[S@](=O)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000895327064 1309284679 /nfs/dbraw/zinc/28/46/79/1309284679.db2.gz BPNGYDAIIOYQBG-BHVCSQLQSA-N 1 0 330.837 3.028 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)c1C ZINC000895974435 1309622645 /nfs/dbraw/zinc/62/26/45/1309622645.db2.gz MQJMHXHUUHPBPS-OAHLLOKOSA-N 1 0 333.432 3.062 20 5 EGBDRO Cc1[nH+]cc2n1C[C@@H](c1nc(-c3ccc(C)c([N+](=O)[O-])c3)no1)CC2 ZINC000896014971 1309652828 /nfs/dbraw/zinc/65/28/28/1309652828.db2.gz MPCDZMHWXFFGEG-ZDUSSCGKSA-N 1 0 339.355 3.188 20 5 EGBDRO CCn1nc(C)c([N+](=O)[O-])c1NC1CCC([NH+]2CCCCC2)CC1 ZINC000795106400 1309669252 /nfs/dbraw/zinc/66/92/52/1309669252.db2.gz KBJGCBSIJYKDDO-UHFFFAOYSA-N 1 0 335.452 3.329 20 5 EGBDRO CCn1cnc2c1CCN(c1cc(C)[nH+]c3ccc([N+](=O)[O-])cc31)C2 ZINC000896661015 1309962584 /nfs/dbraw/zinc/96/25/84/1309962584.db2.gz WYTHCELAXJDHFC-UHFFFAOYSA-N 1 0 337.383 3.231 20 5 EGBDRO C[NH+](C)C[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000798390828 1310352742 /nfs/dbraw/zinc/35/27/42/1310352742.db2.gz WZCHCIOWHOHQNQ-LLVKDONJSA-N 1 0 342.237 3.135 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]CCOC1CCSCC1 ZINC000898435007 1310733764 /nfs/dbraw/zinc/73/37/64/1310733764.db2.gz RQLJDJCLUSSDHU-UHFFFAOYSA-N 1 0 330.837 3.250 20 5 EGBDRO Cc1cc(Cl)nc(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000800492137 1310768288 /nfs/dbraw/zinc/76/82/88/1310768288.db2.gz CIFVMDYBACSBFQ-KBPBESRZSA-N 1 0 349.822 3.422 20 5 EGBDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000801519035 1310952825 /nfs/dbraw/zinc/95/28/25/1310952825.db2.gz CLPNVCMHZRXJAF-KRWDZBQOSA-N 1 0 343.402 3.440 20 5 EGBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1ccc([S@](C)=O)cc1 ZINC000801533346 1310958545 /nfs/dbraw/zinc/95/85/45/1310958545.db2.gz LIVVUVKVRDTNDU-BGJPBQGDSA-N 1 0 336.388 3.322 20 5 EGBDRO CC[C@@H](C)[C@@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)OC ZINC000824596170 1320268882 /nfs/dbraw/zinc/26/88/82/1320268882.db2.gz GGXLPPHUUUTGRR-RDTXWAMCSA-N 1 0 335.448 3.214 20 5 EGBDRO C[NH+](C)C1(CNC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000929304422 1328561717 /nfs/dbraw/zinc/56/17/17/1328561717.db2.gz GGEBTFUXMGMDCN-IAGOWNOFSA-N 1 0 345.443 3.079 20 5 EGBDRO CCCN(CC[NH+]1CCCCC1)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000804566234 1317259831 /nfs/dbraw/zinc/25/98/31/1317259831.db2.gz NQVMJDIIDVQCRF-DHZHZOJOSA-N 1 0 345.443 3.333 20 5 EGBDRO C[C@H]1CN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC[C@H]1C[NH3+] ZINC000900381598 1317283268 /nfs/dbraw/zinc/28/32/68/1317283268.db2.gz WDDLDTBDJOWNCQ-JSGCOSHPSA-N 1 0 344.390 3.217 20 5 EGBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1c1ccc([N+](=O)[O-])cc1OC(F)F ZINC000804812613 1317287664 /nfs/dbraw/zinc/28/76/64/1317287664.db2.gz JYAMKWOLPPULKH-AAEUAGOBSA-N 1 0 341.358 3.259 20 5 EGBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@H]2CCc3nc(Cl)ccc32)cc1 ZINC000806145797 1317465467 /nfs/dbraw/zinc/46/54/67/1317465467.db2.gz OJINYRIWSGBBAN-AWEZNQCLSA-N 1 0 333.775 3.299 20 5 EGBDRO CC(=O)c1ccc([N+](=O)[O-])cc1NCC[N@@H+](C)Cc1ccccc1 ZINC000807935535 1317602145 /nfs/dbraw/zinc/60/21/45/1317602145.db2.gz OPDQKTZDGUXWDH-UHFFFAOYSA-N 1 0 327.384 3.341 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCOC1CCSCC1 ZINC000903444428 1317701386 /nfs/dbraw/zinc/70/13/86/1317701386.db2.gz AQXPWKUSWAMUHV-LBPRGKRZSA-N 1 0 340.445 3.166 20 5 EGBDRO O=[N+]([O-])c1ccc(NC[C@@H]2C[NH2+]CCC2(F)F)nc1-c1ccccc1 ZINC000905679635 1317980702 /nfs/dbraw/zinc/98/07/02/1317980702.db2.gz YRRBXLSXCITZIG-ZDUSSCGKSA-N 1 0 348.353 3.314 20 5 EGBDRO CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000905852749 1318007587 /nfs/dbraw/zinc/00/75/87/1318007587.db2.gz NAHHXZBTQPQHTO-IJEWVQPXSA-N 1 0 333.432 3.425 20 5 EGBDRO O=[N+]([O-])c1cc2c(cc1CNc1cc3c(c[nH+]1)CCCC3)OCCO2 ZINC000812345607 1318371972 /nfs/dbraw/zinc/37/19/72/1318371972.db2.gz GAQQXYFUXYRMRA-UHFFFAOYSA-N 1 0 341.367 3.252 20 5 EGBDRO CC(=O)N(C)c1ccc(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000858496760 1328780313 /nfs/dbraw/zinc/78/03/13/1328780313.db2.gz BYNXDDRLCFYWQP-LBPRGKRZSA-N 1 0 342.399 3.011 20 5 EGBDRO C[NH+](C)Cc1cccc(NC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC000930137930 1328795547 /nfs/dbraw/zinc/79/55/47/1328795547.db2.gz LVEOMERYQQBCCE-ROUUACIJSA-N 1 0 339.395 3.399 20 5 EGBDRO Cc1cc(C(=O)N2CCCC[C@@H]2[C@H](C)C[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000912812789 1318938841 /nfs/dbraw/zinc/93/88/41/1318938841.db2.gz AYHJMXHZDZYZAX-RHSMWYFYSA-N 1 0 333.432 3.096 20 5 EGBDRO C[C@@H]([NH2+]C[C@H](c1cccc(F)c1)N(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815553376 1319014281 /nfs/dbraw/zinc/01/42/81/1319014281.db2.gz YKMPSRJADUKRPD-KZULUSFZSA-N 1 0 346.406 3.270 20 5 EGBDRO COc1nc(C)cc(C)c1C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815574492 1319018111 /nfs/dbraw/zinc/01/81/11/1319018111.db2.gz RQMJMNRRIYLIEP-GFCCVEGCSA-N 1 0 330.388 3.048 20 5 EGBDRO C[C@H]([NH2+]C[C@@]1(O)CCCc2ccccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815578450 1319018794 /nfs/dbraw/zinc/01/87/94/1319018794.db2.gz OGLADEWHKXSODV-DJJJIMSYSA-N 1 0 341.411 3.052 20 5 EGBDRO COc1ccc2c(c1)OCC[C@@H]2[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815583722 1319020238 /nfs/dbraw/zinc/02/02/38/1319020238.db2.gz MSKKQPJUQSGPHT-BZNIZROVSA-N 1 0 343.383 3.360 20 5 EGBDRO C[C@H]([NH2+]CCN(C)Cc1ccc(F)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815586267 1319022324 /nfs/dbraw/zinc/02/23/24/1319022324.db2.gz DEUWZXAKSQQHMV-ZDUSSCGKSA-N 1 0 346.406 3.099 20 5 EGBDRO COC[C@H](Cc1ccccc1)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815585742 1319023156 /nfs/dbraw/zinc/02/31/56/1319023156.db2.gz QXXMBOZMZHCRST-BBRMVZONSA-N 1 0 329.400 3.085 20 5 EGBDRO C[NH+](C)C1(C)CCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 ZINC000913400412 1319027184 /nfs/dbraw/zinc/02/71/84/1319027184.db2.gz JPBSQMUOXVKHAS-UHFFFAOYSA-N 1 0 347.459 3.449 20 5 EGBDRO COCC[C@H](Cc1ccco1)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815615589 1319029517 /nfs/dbraw/zinc/02/95/17/1319029517.db2.gz SGZGQQGYTYKVBP-TZMCWYRMSA-N 1 0 333.388 3.068 20 5 EGBDRO Cc1ccc([C@H](O)[C@@H](C)[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000815625394 1319030895 /nfs/dbraw/zinc/03/08/95/1319030895.db2.gz BWILXPSKFAUTKR-SNUQEOBHSA-N 1 0 329.400 3.258 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H]2CCCOc3ccccc32)c1 ZINC000818993602 1319609105 /nfs/dbraw/zinc/60/91/05/1319609105.db2.gz KLSYFMLKPBORFV-SJORKVTESA-N 1 0 328.368 3.132 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@H]2CCc3ccccc3C2)c1 ZINC000819082150 1319630312 /nfs/dbraw/zinc/63/03/12/1319630312.db2.gz RPMQOFTZHNFCGM-AUUYWEPGSA-N 1 0 326.396 3.023 20 5 EGBDRO CC[C@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)Oc1ccccc1C ZINC000819136599 1319644524 /nfs/dbraw/zinc/64/45/24/1319644524.db2.gz LGCZUFNHNSIIDW-MSOLQXFVSA-N 1 0 344.411 3.384 20 5 EGBDRO CC(C)[C@H](C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC000819139646 1319645757 /nfs/dbraw/zinc/64/57/57/1319645757.db2.gz FVFLIURXGAMQCB-ROUUACIJSA-N 1 0 329.400 3.053 20 5 EGBDRO CCOc1cc(C)ccc1C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819149415 1319649812 /nfs/dbraw/zinc/64/98/12/1319649812.db2.gz JDABEFPAUXUJGQ-KRWDZBQOSA-N 1 0 330.384 3.125 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCC2Cc3ccccc3C2)cc1 ZINC000819190771 1319663139 /nfs/dbraw/zinc/66/31/39/1319663139.db2.gz JIIQOCANGFTEMY-IBGZPJMESA-N 1 0 326.396 3.023 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H]2C[C@H]2c2cccc(Cl)c2)c1 ZINC000819281626 1319688110 /nfs/dbraw/zinc/68/81/10/1319688110.db2.gz LINIKUXZODLBMM-BBWFWOEESA-N 1 0 332.787 3.427 20 5 EGBDRO CSc1cccc(F)c1C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819303669 1319692649 /nfs/dbraw/zinc/69/26/49/1319692649.db2.gz IYVQFWASFDHUTQ-OAHLLOKOSA-N 1 0 336.388 3.279 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@H]2CCCCC(F)(F)C2)cc1 ZINC000819325481 1319697697 /nfs/dbraw/zinc/69/76/97/1319697697.db2.gz FCJFNEGUTBAOHF-SWLSCSKDSA-N 1 0 328.359 3.433 20 5 EGBDRO CCCNc1ccc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000819387389 1319714523 /nfs/dbraw/zinc/71/45/23/1319714523.db2.gz KSCFQJUKAPGRHG-GOSISDBHSA-N 1 0 329.400 3.240 20 5 EGBDRO C[C@@H]1CCC[N@H+](CCCCNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000917073300 1319749356 /nfs/dbraw/zinc/74/93/56/1319749356.db2.gz NEQXTNUQNGPDHX-CYBMUJFWSA-N 1 0 336.392 3.427 20 5 EGBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000820384830 1319880348 /nfs/dbraw/zinc/88/03/48/1319880348.db2.gz CJTGGAIJZYAQGI-OAHLLOKOSA-N 1 0 333.432 3.016 20 5 EGBDRO CCC[NH+]1CCC(N(C)C(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000930450397 1328857831 /nfs/dbraw/zinc/85/78/31/1328857831.db2.gz GYMHOLDGQFSDAX-MSOLQXFVSA-N 1 0 345.443 3.031 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CC[C@H]3CC3(Cl)Cl)C2)nc1 ZINC000822750999 1320120435 /nfs/dbraw/zinc/12/04/35/1320120435.db2.gz SNMROAAYNQWQMW-WDEREUQCSA-N 1 0 345.230 3.060 20 5 EGBDRO C[C@H]([NH2+]Cc1ccc(C(=O)NC2CC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000824462620 1320260042 /nfs/dbraw/zinc/26/00/42/1320260042.db2.gz HIHUXXOAOXXQAG-ZDUSSCGKSA-N 1 0 339.395 3.338 20 5 EGBDRO C[C@@H]1C[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c2nccn21 ZINC000825017602 1320303946 /nfs/dbraw/zinc/30/39/46/1320303946.db2.gz VUEARLQCZJCLRR-DYVFJYSZSA-N 1 0 341.415 3.056 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C(=O)NC[C@H](C)C[NH+]2CCCC2)cc1Cl ZINC000836429926 1320487207 /nfs/dbraw/zinc/48/72/07/1320487207.db2.gz PLOUMPGHAULUSF-NSHDSACASA-N 1 0 339.823 3.018 20 5 EGBDRO C[NH+](C)CCOc1ccc(NCc2ccccc2[N+](=O)[O-])cc1F ZINC000839189096 1320890559 /nfs/dbraw/zinc/89/05/59/1320890559.db2.gz PSNGCNFQHOQGDR-UHFFFAOYSA-N 1 0 333.363 3.286 20 5 EGBDRO C[C@H](Cc1cccc(F)c1)[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000839196697 1320892627 /nfs/dbraw/zinc/89/26/27/1320892627.db2.gz XISJNALNCIGKKZ-ACJLOTCBSA-N 1 0 332.375 3.330 20 5 EGBDRO C[C@H](C[N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1)C(=O)OC(C)(C)C ZINC000839200746 1320893995 /nfs/dbraw/zinc/89/39/95/1320893995.db2.gz ZROHBMCAERBSGM-LLVKDONJSA-N 1 0 326.368 3.144 20 5 EGBDRO CC[N@H+](CCSC)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000842647409 1321413021 /nfs/dbraw/zinc/41/30/21/1321413021.db2.gz WOUQQINQUMJQPT-UHFFFAOYSA-N 1 0 328.825 3.240 20 5 EGBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000843754460 1321544422 /nfs/dbraw/zinc/54/44/22/1321544422.db2.gz KTKAEHJCKUDUIM-UHFFFAOYSA-N 1 0 337.395 3.037 20 5 EGBDRO C[C@@H](C(=O)OC[C@@H]1CC[N@@H+]1C(C)(C)C)c1ccc([N+](=O)[O-])cc1F ZINC000845730105 1321737274 /nfs/dbraw/zinc/73/72/74/1321737274.db2.gz GEJITUWACWJSND-YPMHNXCESA-N 1 0 338.379 3.253 20 5 EGBDRO O=C(Oc1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000847302498 1321860977 /nfs/dbraw/zinc/86/09/77/1321860977.db2.gz MLWWPOSCXVNPRX-OAHLLOKOSA-N 1 0 326.352 3.022 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1cnn(C[N@@H+]2CC[C@@H](c3ccco3)C2)c1 ZINC000848478835 1321962354 /nfs/dbraw/zinc/96/23/54/1321962354.db2.gz UVDLNXHFYPARNX-CQSZACIVSA-N 1 0 338.367 3.498 20 5 EGBDRO CCc1ccc(NC(=[NH2+])NCc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000849066147 1322064455 /nfs/dbraw/zinc/06/44/55/1322064455.db2.gz BIQLKSISMNZGPN-UHFFFAOYSA-N 1 0 328.372 3.302 20 5 EGBDRO C[N@@H+]1CCCC[C@H]1CCOC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000919526802 1322076076 /nfs/dbraw/zinc/07/60/76/1322076076.db2.gz REXLSTAYFHBOJR-ZDUSSCGKSA-N 1 0 331.372 3.107 20 5 EGBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000919721956 1322099410 /nfs/dbraw/zinc/09/94/10/1322099410.db2.gz HHXPYOUSQJIJTD-GUTXKFCHSA-N 1 0 348.403 3.345 20 5 EGBDRO CON(C)CC[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000850480595 1322255896 /nfs/dbraw/zinc/25/58/96/1322255896.db2.gz TZIUTSCQPYILKH-LBPRGKRZSA-N 1 0 335.429 3.467 20 5 EGBDRO CCOc1ccc([C@@H](C)[NH2+]CC2SCCS2)cc1[N+](=O)[O-] ZINC000850560072 1322267612 /nfs/dbraw/zinc/26/76/12/1322267612.db2.gz HPNMKYKYIIVVCL-SNVBAGLBSA-N 1 0 328.459 3.450 20 5 EGBDRO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCC[C@@](O)(c2ccccc2)C1 ZINC000859583735 1329025134 /nfs/dbraw/zinc/02/51/34/1329025134.db2.gz GOXOWQQBXSNONT-SFHVURJKSA-N 1 0 330.359 3.218 20 5 EGBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2Cl)C1 ZINC000859701734 1329058172 /nfs/dbraw/zinc/05/81/72/1329058172.db2.gz HHFAYHAMUIFCQJ-GFCCVEGCSA-N 1 0 339.823 3.052 20 5 EGBDRO O=[N+]([O-])c1cc(C(F)F)ccc1N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000853363319 1325084779 /nfs/dbraw/zinc/08/47/79/1325084779.db2.gz QDECMOPFHOGJFM-GFCCVEGCSA-N 1 0 325.359 3.455 20 5 EGBDRO C[C@@H]1CCC[C@H](C)[N@H+](Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)C1 ZINC000853497594 1325105453 /nfs/dbraw/zinc/10/54/53/1325105453.db2.gz CCZAUUOSGVSWNA-KGLIPLIRSA-N 1 0 329.404 3.321 20 5 EGBDRO CC(C)[C@@H]1CCC[N@H+](Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)C1 ZINC000853508054 1325108233 /nfs/dbraw/zinc/10/82/33/1325108233.db2.gz IVJAAOFOBGMGRG-CQSZACIVSA-N 1 0 329.404 3.179 20 5 EGBDRO CC1C[C@H]2CC[C@@H](C1)[N@H+]2CN1CCN(c2ccccc2[N+](=O)[O-])C1=O ZINC000853607148 1325133078 /nfs/dbraw/zinc/13/30/78/1325133078.db2.gz VUOJUJNPUNKTHA-GOOCMWNKSA-N 1 0 344.415 3.057 20 5 EGBDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000855902619 1325427638 /nfs/dbraw/zinc/42/76/38/1325427638.db2.gz IWPNPTCXOCTBKN-LBPRGKRZSA-N 1 0 339.823 3.098 20 5 EGBDRO Cn1nc(C2CC2)cc1C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000927100584 1327862348 /nfs/dbraw/zinc/86/23/48/1327862348.db2.gz YZQVAYJQWUNYGO-QGZVFWFLSA-N 1 0 340.427 3.317 20 5 EGBDRO C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000928249987 1328256542 /nfs/dbraw/zinc/25/65/42/1328256542.db2.gz YCVZRUXQPNGNMJ-CXAGYDPISA-N 1 0 331.416 3.179 20 5 EGBDRO C[C@H]([NH3+])CN(C)Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000863652515 1329570964 /nfs/dbraw/zinc/57/09/64/1329570964.db2.gz TZSUPNSFLCWOQP-AWEZNQCLSA-N 1 0 328.416 3.142 20 5 EGBDRO C[C@H]1CCC[N@@H+](C(C)(C)CNc2cc(F)c([N+](=O)[O-])cc2CO)C1 ZINC000865499305 1329705711 /nfs/dbraw/zinc/70/57/11/1329705711.db2.gz IIMASGAQWXLXJK-LBPRGKRZSA-N 1 0 339.411 3.149 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](C)CC1(C)OCCO1 ZINC000865674144 1329728221 /nfs/dbraw/zinc/72/82/21/1329728221.db2.gz ORKGQABNVMUCCM-MZLJFPOFSA-N 1 0 334.416 3.377 20 5 EGBDRO C[NH+](C)CCN(C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000932693556 1329833857 /nfs/dbraw/zinc/83/38/57/1329833857.db2.gz SVPWCNIXMOBUTO-QZTJIDSGSA-N 1 0 345.443 3.031 20 5 EGBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C1(C2CCCCC2)CC1 ZINC000934789187 1330007226 /nfs/dbraw/zinc/00/72/26/1330007226.db2.gz FWCRASUREHVOBP-OAHLLOKOSA-N 1 0 334.416 3.037 20 5 EGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H](c1ccco1)N(C)C ZINC000866216139 1330079693 /nfs/dbraw/zinc/07/96/93/1330079693.db2.gz CXKZTUODZNSBIZ-LRDDRELGSA-N 1 0 335.379 3.150 20 5 EGBDRO Cc1ncc2c(n1)CCC[C@H]2[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866267674 1330087957 /nfs/dbraw/zinc/08/79/57/1330087957.db2.gz GWUCDSAOIMJDEW-MEDUHNTESA-N 1 0 344.390 3.431 20 5 EGBDRO CC(C)[C@@H](C[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-])c1ccnn1C ZINC000866345693 1330099373 /nfs/dbraw/zinc/09/93/73/1330099373.db2.gz BLZAZEPFWDUDGN-CZUORRHYSA-N 1 0 348.422 3.428 20 5 EGBDRO Cc1cc(C)c(CNC(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000867946595 1330231652 /nfs/dbraw/zinc/23/16/52/1330231652.db2.gz JCZGDSFEGFSCKE-IBGZPJMESA-N 1 0 341.411 3.010 20 5 EGBDRO CN(C(=O)C(C)(C)C)C1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001006326466 1336489319 /nfs/dbraw/zinc/48/93/19/1336489319.db2.gz NTUFJGXOGHVNDZ-UHFFFAOYSA-N 1 0 333.432 3.064 20 5 EGBDRO Cc1cc(O[C@H]2CCC[NH2+]C[C@@H]2C)c([N+](=O)[O-])cc1Br ZINC001217988883 1373528218 /nfs/dbraw/zinc/52/82/18/1373528218.db2.gz PNFBXSQDVWCPAS-GWCFXTLKSA-N 1 0 343.221 3.433 20 5 EGBDRO Cc1cc(Br)c(O[C@@H]2CC[NH2+]CC2(C)C)cc1[N+](=O)[O-] ZINC001218318136 1373595217 /nfs/dbraw/zinc/59/52/17/1373595217.db2.gz XESMNGPEMXZDMG-CYBMUJFWSA-N 1 0 343.221 3.433 20 5 EGBDRO CCC[N@@H+]1CCc2c(N)sc(Nc3ccc([N+](=O)[O-])nc3)c2C1 ZINC001203570460 1370173821 /nfs/dbraw/zinc/17/38/21/1370173821.db2.gz ZUMFOLHMZMNEGK-UHFFFAOYSA-N 1 0 333.417 3.145 20 5 EGBDRO CC(C)CCC(=O)N1CCC(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001204437884 1370477958 /nfs/dbraw/zinc/47/79/58/1370477958.db2.gz WPIVJASABSLVFT-UHFFFAOYSA-N 1 0 347.459 3.359 20 5 EGBDRO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2-c1ccnn1CC ZINC001205321879 1370720931 /nfs/dbraw/zinc/72/09/31/1370720931.db2.gz AFLRKJZPHNWFCN-UHFFFAOYSA-N 1 0 347.422 3.460 20 5 EGBDRO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC001116038669 1370825398 /nfs/dbraw/zinc/82/53/98/1370825398.db2.gz ZUXWFVABNDMCBG-CVEARBPZSA-N 1 0 347.459 3.495 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)c2ncnc(NCC[NH+]3CCCCCC3)c2c1 ZINC001117585901 1371054747 /nfs/dbraw/zinc/05/47/47/1371054747.db2.gz PVBFTYVYGIPXMO-UHFFFAOYSA-N 1 0 349.822 3.479 20 5 EGBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1CN1CC[C@](O)(C2CC2)C1 ZINC001117668584 1371059989 /nfs/dbraw/zinc/05/99/89/1371059989.db2.gz LSXRRNXGXPXVDE-CQSZACIVSA-N 1 0 331.199 3.248 20 5 EGBDRO [NH3+]C[C@H]1C[N@H+](Cc2c3ccccc3c3cc4ccccc4oc2-3)C[C@H]1O ZINC001206474590 1371065926 /nfs/dbraw/zinc/06/59/26/1371065926.db2.gz GGZLPTFPIWBHGD-MGPUTAFESA-N 1 0 346.430 3.442 20 5 EGBDRO C[N@@H+]1CCCC12CCN(c1ncc([N+](=O)[O-])c3ccccc31)CC2 ZINC001119411640 1371336000 /nfs/dbraw/zinc/33/60/00/1371336000.db2.gz GRCVNYWXQJTUPU-UHFFFAOYSA-N 1 0 326.400 3.208 20 5 EGBDRO COc1ncc(Nc2cccc3c2OCC[C@H]3[NH+](C)C)cc1[N+](=O)[O-] ZINC001210140615 1372280192 /nfs/dbraw/zinc/28/01/92/1372280192.db2.gz XZGQEGWIUGCOKC-CQSZACIVSA-N 1 0 344.371 3.127 20 5 EGBDRO CC[NH+](CC)C1CCN(C(=O)Nc2cc(C)cc([N+](=O)[O-])c2)CC1 ZINC001123453412 1372474650 /nfs/dbraw/zinc/47/46/50/1372474650.db2.gz JIZQLTDOODVCMR-UHFFFAOYSA-N 1 0 334.420 3.241 20 5 EGBDRO O=c1c2ccccc2oc2cc(O[C@H]3CCC[NH2+]C[C@@H]3F)ccc12 ZINC001217946766 1373516233 /nfs/dbraw/zinc/51/62/33/1373516233.db2.gz GQHPYHRHNDDPPI-RDJZCZTQSA-N 1 0 327.355 3.415 20 5 EGBDRO C[C@@H]1C[NH2+]CCC[C@@H]1Oc1ccc(Br)c([N+](=O)[O-])c1 ZINC001217984567 1373526705 /nfs/dbraw/zinc/52/67/05/1373526705.db2.gz FVCUXMXXVYTSBO-RNCFNFMXSA-N 1 0 329.194 3.124 20 5 EGBDRO C[C@H]1C[NH2+]CCC[C@@H]1Oc1c(Br)cccc1[N+](=O)[O-] ZINC001217988146 1373528293 /nfs/dbraw/zinc/52/82/93/1373528293.db2.gz OYUJUVFYTDDCLH-CABZTGNLSA-N 1 0 329.194 3.124 20 5 EGBDRO C[C@@H](Oc1cc([N+](=O)[O-])ccc1Br)C1CC[NH2+]CC1 ZINC001218001991 1373531890 /nfs/dbraw/zinc/53/18/90/1373531890.db2.gz KBQKJOZWGZDRGA-SECBINFHSA-N 1 0 329.194 3.124 20 5 EGBDRO C[C@@H]1CC[NH2+]CC[C@H]1Oc1cc([N+](=O)[O-])ccc1Br ZINC001218026747 1373542140 /nfs/dbraw/zinc/54/21/40/1373542140.db2.gz JUCDAFKUBOVYKH-BXKDBHETSA-N 1 0 329.194 3.124 20 5 EGBDRO O=[N+]([O-])c1ccc(Br)c(O[C@@H]2CCC23CC[NH2+]CC3)c1 ZINC001218081573 1373556392 /nfs/dbraw/zinc/55/63/92/1373556392.db2.gz UVYYOJLSOMAZRL-CYBMUJFWSA-N 1 0 341.205 3.268 20 5 EGBDRO O=[N+]([O-])c1cc2nc(OC3CC4(C3)CC[NH2+]CC4)[nH]c2cc1Cl ZINC001218106552 1373561971 /nfs/dbraw/zinc/56/19/71/1373561971.db2.gz UXYHFNROZHPKLL-UHFFFAOYSA-N 1 0 336.779 3.036 20 5 EGBDRO Cc1cc(C)c2ccc3cccc(O[C@@H]4C[C@H]5C[NH2+]CCN5C4)c3c2n1 ZINC001218107593 1373562948 /nfs/dbraw/zinc/56/29/48/1373562948.db2.gz DIOMFLTXJIOCQZ-ZWKOTPCHSA-N 1 0 347.462 3.430 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(O[C@H]3CC[C@@H]4[NH2+]CCO[C@@H]43)cc2)cc1 ZINC001218115772 1373563748 /nfs/dbraw/zinc/56/37/48/1373563748.db2.gz FZPAZXTYRWKHFD-FHWLQOOXSA-N 1 0 340.379 3.160 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCCCC2)cc1O[C@H]1CC[C@@]12CC[NH2+]C2 ZINC001218121645 1373565049 /nfs/dbraw/zinc/56/50/49/1373565049.db2.gz BQGMLXJTXBTHND-ROUUACIJSA-N 1 0 331.416 3.106 20 5 EGBDRO O=[N+]([O-])c1cc(OC(F)(F)F)ccc1O[C@@H]1CC[C@]12CC[NH2+]C2 ZINC001218121314 1373565104 /nfs/dbraw/zinc/56/51/04/1373565104.db2.gz XYGOQDQOCFYZIJ-CHWSQXEVSA-N 1 0 332.278 3.014 20 5 EGBDRO O=[N+]([O-])c1cc(Br)cc(O[C@@H]2CCC[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC001218147396 1373569019 /nfs/dbraw/zinc/56/90/19/1373569019.db2.gz XUFWKVQMNQNWLR-BIGNPOOSSA-N 1 0 341.205 3.124 20 5 EGBDRO C[C@H](Oc1ccc([C@@H]2C[C@H]2[NH3+])cc1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001218213852 1373578960 /nfs/dbraw/zinc/57/89/60/1373578960.db2.gz LCGSLMYGIJDHPC-NZVBXONLSA-N 1 0 342.351 3.278 20 5 EGBDRO Cc1cc(O[C@H]2C[C@H]3[NH2+]CC[C@H]3C2)c([N+](=O)[O-])cc1Br ZINC001218247776 1373583198 /nfs/dbraw/zinc/58/31/98/1373583198.db2.gz DYEXCPMENWYKPW-HOSYDEDBSA-N 1 0 341.205 3.185 20 5 EGBDRO Cc1cc(O[C@H]2CC[C@@H](C)[NH2+]C2)c([N+](=O)[O-])cc1Br ZINC001218401456 1373607908 /nfs/dbraw/zinc/60/79/08/1373607908.db2.gz ZKSUNDWWIZVTFO-ZJUUUORDSA-N 1 0 329.194 3.185 20 5 EGBDRO C[C@@H]1CC[C@@H](Oc2cc(C(=O)OC(C)(C)C)ccc2[N+](=O)[O-])C[NH2+]1 ZINC001218403640 1373608082 /nfs/dbraw/zinc/60/80/82/1373608082.db2.gz XYKJQSWJWDKAQA-DGCLKSJQSA-N 1 0 336.388 3.069 20 5 EGBDRO CC1(C)C[C@H](Oc2ccc(Br)cc2[N+](=O)[O-])CC[NH2+]1 ZINC001218476962 1373621728 /nfs/dbraw/zinc/62/17/28/1373621728.db2.gz VCZJYPNIKGOZQR-SNVBAGLBSA-N 1 0 329.194 3.267 20 5 EGBDRO CC1(C)C[C@@H](Oc2cccc(Br)c2[N+](=O)[O-])CC[NH2+]1 ZINC001218476875 1373621773 /nfs/dbraw/zinc/62/17/73/1373621773.db2.gz LUYJSEJQGFHURO-VIFPVBQESA-N 1 0 329.194 3.267 20 5 EGBDRO C[C@@H]1CC[NH2+]C[C@@H]1Oc1ccc2c(c1)oc1cc(O)ccc1c2=O ZINC001218482322 1373622396 /nfs/dbraw/zinc/62/23/96/1373622396.db2.gz GSWHPWIAELXDSN-ZMZPIMSZSA-N 1 0 325.364 3.029 20 5 EGBDRO CC(C)(C)CC(=O)NCC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001222387438 1373832854 /nfs/dbraw/zinc/83/28/54/1373832854.db2.gz ZTJYOMRJHOGEMD-UHFFFAOYSA-N 1 0 347.459 3.359 20 5 EGBDRO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1Oc1cccnc1[N+](=O)[O-] ZINC001225628264 1375134535 /nfs/dbraw/zinc/13/45/35/1375134535.db2.gz GDZISIJOJZIDHK-WMLDXEAASA-N 1 0 327.384 3.279 20 5 EGBDRO O=[N+]([O-])c1c(F)cccc1O[C@H]1COCCN(Cc2ccccc2)C1 ZINC001225668357 1375140611 /nfs/dbraw/zinc/14/06/11/1375140611.db2.gz YZUMUYRAVMYZKJ-OAHLLOKOSA-N 1 0 346.358 3.014 20 5 EGBDRO C[C@H](C[N+](C)(C)C)Oc1c(Cl)nccc1NC(=O)C(C)(C)C ZINC001226122262 1375207213 /nfs/dbraw/zinc/20/72/13/1375207213.db2.gz KXKNGWUTLZSRRK-LLVKDONJSA-O 1 0 328.864 3.193 20 5 EGBDRO COCC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC001226312033 1375237891 /nfs/dbraw/zinc/23/78/91/1375237891.db2.gz BQPRISOSWSVNMU-UHFFFAOYSA-N 1 0 348.321 3.103 20 5 EGBDRO C[C@H](C[N+](C)(C)C)Oc1nnc(Cc2ccncc2)c2ccccc21 ZINC001226435988 1375258594 /nfs/dbraw/zinc/25/85/94/1375258594.db2.gz VPRNNHNBNLRHQX-OAHLLOKOSA-N 1 0 337.447 3.089 20 5 EGBDRO COCC[NH+]1CCC(Oc2ccc([N+](=O)[O-])c3ccccc23)CC1 ZINC001226509052 1375271847 /nfs/dbraw/zinc/27/18/47/1375271847.db2.gz JOELMMFRHVQNAI-UHFFFAOYSA-N 1 0 330.384 3.238 20 5 EGBDRO C[C@H](C[N+](C)(C)C)Oc1cccc2c1CCN(C(=O)OC(C)(C)C)C2 ZINC001226544919 1375278525 /nfs/dbraw/zinc/27/85/25/1375278525.db2.gz FEHPEAFEVLUZFV-OAHLLOKOSA-N 1 0 349.495 3.453 20 5 EGBDRO CC(C)(C)/C=C/C(=O)NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001226632983 1375296179 /nfs/dbraw/zinc/29/61/79/1375296179.db2.gz JXMVOEFZXZPDML-DHZHZOJOSA-N 1 0 345.443 3.278 20 5 EGBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](CCc3ccccc3)CC2)cn1 ZINC001226711911 1375315276 /nfs/dbraw/zinc/31/52/76/1375315276.db2.gz IGAXIOOTDIXXJR-UHFFFAOYSA-N 1 0 327.384 3.076 20 5 EGBDRO C[C@H](Oc1cccc([N+](=O)[O-])c1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC001226763309 1375327641 /nfs/dbraw/zinc/32/76/41/1375327641.db2.gz PPVWRZVOVHZZMC-HNAYVOBHSA-N 1 0 342.395 3.263 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1O[C@H]1COCC[N@H+](Cc2ccccc2)C1 ZINC001226971265 1375374623 /nfs/dbraw/zinc/37/46/23/1375374623.db2.gz KDXDDUZHBMPIFE-QGZVFWFLSA-N 1 0 342.395 3.183 20 5 EGBDRO CC(C)[N@@H+]1CC[C@H](Oc2cc(F)c(Br)cc2[N+](=O)[O-])C1 ZINC001227286913 1375416281 /nfs/dbraw/zinc/41/62/81/1375416281.db2.gz QFVTWZPLISOJOR-VIFPVBQESA-N 1 0 347.184 3.358 20 5 EGBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1ccc(OC(F)(F)F)cc1[N+](=O)[O-])C2 ZINC001227602268 1375451087 /nfs/dbraw/zinc/45/10/87/1375451087.db2.gz RNHKEFXEKGAJOY-PEGIJTEDSA-N 1 0 346.305 3.497 20 5 EGBDRO COc1cccc([N+](=O)[O-])c1O[C@@H]1CCN([C@@H](C)c2ccccn2)C1 ZINC001227702678 1375463564 /nfs/dbraw/zinc/46/35/64/1375463564.db2.gz YMVXUOLAFYTGON-UONOGXRCSA-N 1 0 343.383 3.213 20 5 EGBDRO C=C/C(C)=C/CC(=O)NC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001228701865 1375643637 /nfs/dbraw/zinc/64/36/37/1375643637.db2.gz GNLLQKTVIJAYAB-OVCLIPMQSA-N 1 0 343.427 3.198 20 5 EGBDRO C[NH+]1CCC2(CC[C@H](COc3ccc(Cl)cc3[N+](=O)[O-])O2)CC1 ZINC001229376483 1375822636 /nfs/dbraw/zinc/82/26/36/1375822636.db2.gz JBHAJZQWTJFXNR-CYBMUJFWSA-N 1 0 340.807 3.270 20 5 EGBDRO C[C@@H](C[N+](C)(C)C)Oc1c2ccccc2c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001229425198 1375831554 /nfs/dbraw/zinc/83/15/54/1375831554.db2.gz VDZJLAPMMZGCFY-NSHDSACASA-N 1 0 334.352 3.130 20 5 EGBDRO CC(=O)c1cc(Br)c(C)cc1O[C@H](C)C[N+](C)(C)C ZINC001229586915 1375859895 /nfs/dbraw/zinc/85/98/95/1375859895.db2.gz DVCVHOUPZQIDAZ-LLVKDONJSA-N 1 0 329.258 3.434 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1O[C@H]1CC[C@@H]([NH+]2CCOCC2)CC1 ZINC001230728508 1376135570 /nfs/dbraw/zinc/13/55/70/1376135570.db2.gz MSKORWYZZBZTAP-IYBDPMFKSA-N 1 0 334.416 3.234 20 5 EGBDRO CCOC(=O)c1csc(-c2ccc(O[C@@H](C)C[N+](C)(C)C)cc2)n1 ZINC001233843979 1376725778 /nfs/dbraw/zinc/72/57/78/1376725778.db2.gz JBIVYUOYZBROBK-ZDUSSCGKSA-N 1 0 349.476 3.460 20 5 EGBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccc(C(F)F)cc1 ZINC001135384318 1377066561 /nfs/dbraw/zinc/06/65/61/1377066561.db2.gz BNEITPLSTFEMGH-UHFFFAOYSA-N 1 0 349.337 3.052 20 5 EGBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1cccc(C2CC2)c1 ZINC001152721025 1379975387 /nfs/dbraw/zinc/97/53/87/1379975387.db2.gz AUDNFQNULBBJQE-UHFFFAOYSA-N 1 0 345.424 3.053 20 5 EGBDRO Cc1cc(NC[C@@H]2CCC[NH2+]C[C@H]2C)nc2ccc([N+](=O)[O-])cc12 ZINC001155023604 1380393197 /nfs/dbraw/zinc/39/31/97/1380393197.db2.gz FEGWTGYDYVWSOS-KGLIPLIRSA-N 1 0 328.416 3.499 20 5 EGBDRO C[C@@H]1C[NH2+]CCC[C@H]1CNc1nc(Cl)nc2ccc([N+](=O)[O-])cc21 ZINC001155025967 1380393929 /nfs/dbraw/zinc/39/39/29/1380393929.db2.gz QYNANFWNZWQADC-MNOVXSKESA-N 1 0 349.822 3.239 20 5 EGBDRO COc1cnc(-n2c(C[NH3+])cc3cc(Cl)ccc32)c([N+](=O)[O-])c1 ZINC001155993240 1380511040 /nfs/dbraw/zinc/51/10/40/1380511040.db2.gz BUVZMNIRIPMXCK-UHFFFAOYSA-N 1 0 332.747 3.054 20 5 EGBDRO CC(C)N(CCC[NH3+])c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC001156124240 1380528689 /nfs/dbraw/zinc/52/86/89/1380528689.db2.gz DIHQYQFMTRKCOJ-UHFFFAOYSA-N 1 0 332.379 3.360 20 5 EGBDRO C[C@H]1CCCC[N@@H+]1CCCNc1ncnc2cc([N+](=O)[O-])ccc21 ZINC001156928871 1380731374 /nfs/dbraw/zinc/73/13/74/1380731374.db2.gz PNXYQWCFOWOBSD-ZDUSSCGKSA-N 1 0 329.404 3.214 20 5 EGBDRO CC(C)[N@H+](C)[C@H]1CCN(C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)C1 ZINC001157009121 1380750768 /nfs/dbraw/zinc/75/07/68/1380750768.db2.gz FILAYKHRLQHVHU-JTQLQIEISA-N 1 0 348.781 3.107 20 5 EGBDRO Cc1cc([N+](=O)[O-])cnc1N(Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC001157426353 1380881884 /nfs/dbraw/zinc/88/18/84/1380881884.db2.gz PQQAIWOTHFVXNL-INIZCTEOSA-N 1 0 326.400 3.057 20 5 EGBDRO O=[N+]([O-])c1cccc2ccc(N3CCCC[C@]34CCC[NH2+]C4)nc21 ZINC001157471903 1380923313 /nfs/dbraw/zinc/92/33/13/1380923313.db2.gz PBBNWHLKCZDPLY-GOSISDBHSA-N 1 0 326.400 3.256 20 5 EGBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2CCC(C)([NH+]3CCCC3)CC2)n1 ZINC001157657893 1380992151 /nfs/dbraw/zinc/99/21/51/1380992151.db2.gz PDHAXTCBIAQJEC-UHFFFAOYSA-N 1 0 338.839 3.406 20 5 EGBDRO [NH3+]CC[C@H]1CN(c2ncnc3cc([N+](=O)[O-])ccc32)c2ccccc21 ZINC001157747015 1381020728 /nfs/dbraw/zinc/02/07/28/1381020728.db2.gz RHPUWCHHGSPUEF-LBPRGKRZSA-N 1 0 335.367 3.122 20 5 EGBDRO C[NH2+]CCN(c1ccc(-c2ccc(C)c([N+](=O)[O-])c2)nn1)C(C)(C)C ZINC001157832908 1381047314 /nfs/dbraw/zinc/04/73/14/1381047314.db2.gz GVWFLNZLQIJGMV-UHFFFAOYSA-N 1 0 343.431 3.185 20 5 EGBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N[C@@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)n1 ZINC001158268635 1381179500 /nfs/dbraw/zinc/17/95/00/1381179500.db2.gz PPKKBTLKVSPMAO-MEBBXXQBSA-N 1 0 341.843 3.302 20 5 EGBDRO COc1ccc2c(c1)c(CC[NH3+])c(C)n2-c1nccc(C)c1[N+](=O)[O-] ZINC001158292736 1381187992 /nfs/dbraw/zinc/18/79/92/1381187992.db2.gz LICAAAZDKDTEKJ-UHFFFAOYSA-N 1 0 340.383 3.060 20 5 EGBDRO O=[N+]([O-])c1ccc(Nc2ccc(O[C@@H]3CC[NH2+]C3)nc2)c(Cl)c1 ZINC001159339492 1381770089 /nfs/dbraw/zinc/77/00/89/1381770089.db2.gz FQHLYQRBCJPZAQ-GFCCVEGCSA-N 1 0 334.763 3.128 20 5 EGBDRO Cc1c(Nc2ccc3c(c2)CC[NH2+]C3)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001159600749 1381843585 /nfs/dbraw/zinc/84/35/85/1381843585.db2.gz NXJJQWLYVOEXKP-UHFFFAOYSA-N 1 0 328.328 3.201 20 5 EGBDRO O=[N+]([O-])c1ccc(Nc2cccc(CN3CC[NH2+]CC3)c2)c(Cl)c1 ZINC001159636929 1381855286 /nfs/dbraw/zinc/85/52/86/1381855286.db2.gz FTHGOINYFVFMRT-UHFFFAOYSA-N 1 0 346.818 3.397 20 5 EGBDRO C/C=C(/C)C(=O)NCCC1=CC[N@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001159759701 1381892427 /nfs/dbraw/zinc/89/24/27/1381892427.db2.gz DPZCGHTUUDJXEA-CQPUUCJISA-N 1 0 343.427 3.199 20 5 EGBDRO Cc1ncc([N+](=O)[O-])cc1Nc1ccccc1OCC1CC[NH2+]CC1 ZINC001160188934 1382028959 /nfs/dbraw/zinc/02/89/59/1382028959.db2.gz BBUWFIOROJCOFN-UHFFFAOYSA-N 1 0 342.399 3.420 20 5 EGBDRO [NH3+]C[C@@H]1COc2ccccc2N1c1nc2ccccc2cc1[N+](=O)[O-] ZINC001160200276 1382031413 /nfs/dbraw/zinc/03/14/13/1382031413.db2.gz LVYAUERKTZTROY-CYBMUJFWSA-N 1 0 336.351 3.001 20 5 EGBDRO CC1(C(=O)NCCC2=CC[N@H+](Cc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC001160202730 1382032848 /nfs/dbraw/zinc/03/28/48/1382032848.db2.gz QVDKZDXIYHLSMK-UHFFFAOYSA-N 1 0 343.427 3.033 20 5 EGBDRO O=[N+]([O-])c1ccc(F)c(Nc2ccccc2CN2CC[NH2+]CC2)c1F ZINC001160298764 1382065796 /nfs/dbraw/zinc/06/57/96/1382065796.db2.gz HEJFJYCMHNQDPB-UHFFFAOYSA-N 1 0 348.353 3.022 20 5 EGBDRO O=[N+]([O-])c1cccc(N[C@H]2CC[N@H+](Cc3cccc(Cl)c3)C2)n1 ZINC001161183230 1382330708 /nfs/dbraw/zinc/33/07/08/1382330708.db2.gz RQWLJXZOVTXPGW-AWEZNQCLSA-N 1 0 332.791 3.330 20 5 EGBDRO CCOc1nc(NCC2CC[NH+](CC3CCC3)CC2)ccc1[N+](=O)[O-] ZINC001161234941 1382351486 /nfs/dbraw/zinc/35/14/86/1382351486.db2.gz YUCVLZCNDOKNNI-UHFFFAOYSA-N 1 0 348.447 3.313 20 5 EGBDRO C[N@@H+]1CCC[C@@](C)(Nc2ccc(-c3ccc(F)c([N+](=O)[O-])c3)nn2)C1 ZINC001162340763 1382735068 /nfs/dbraw/zinc/73/50/68/1382735068.db2.gz WXMRHRJQMZMQGG-QGZVFWFLSA-N 1 0 345.378 3.087 20 5 EGBDRO Cc1nc(N[C@H]2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])c(C)c1Br ZINC001162402702 1382748095 /nfs/dbraw/zinc/74/80/95/1382748095.db2.gz VTZCTDUKWGJSHG-UWVGGRQHSA-N 1 0 343.225 3.051 20 5 EGBDRO CC(C)CC(=O)NCCC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001163202151 1382992276 /nfs/dbraw/zinc/99/22/76/1382992276.db2.gz QCIWTHRXNQPWBS-UHFFFAOYSA-N 1 0 333.432 3.017 20 5 EGBDRO O=[N+]([O-])c1c2nsnc2ccc1N[C@@H]1CC[NH2+][C@H]1c1ccccc1 ZINC001163216090 1382994685 /nfs/dbraw/zinc/99/46/85/1382994685.db2.gz YKFHKBYGSNCMRA-RISCZKNCSA-N 1 0 341.396 3.115 20 5 EGBDRO O=[N+]([O-])c1cc(N[C@@H]2C[NH2+]Cc3ccsc32)cc2cccnc21 ZINC001163227809 1382998779 /nfs/dbraw/zinc/99/87/79/1382998779.db2.gz CNIFVXJRWYGLLH-CYBMUJFWSA-N 1 0 326.381 3.461 20 5 EGBDRO Cc1cc(Cl)c(NC[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)c([N+](=O)[O-])c1 ZINC001163290262 1383013362 /nfs/dbraw/zinc/01/33/62/1383013362.db2.gz YSRNYJCNRIPRSQ-MLGOLLRUSA-N 1 0 339.823 3.127 20 5 EGBDRO c1ccc2cc3c(cc2c1)ncnc3N[C@H]1CCO[C@]2(CC[NH2+]C2)C1 ZINC001163314545 1383019740 /nfs/dbraw/zinc/01/97/40/1383019740.db2.gz GQXKFVJLDVZZLN-OXJNMPFZSA-N 1 0 334.423 3.106 20 5 EGBDRO C[C@@H]1CC[C@H](C[NH3+])N(c2ccc3c(ccc(Cl)c3[N+](=O)[O-])n2)C1 ZINC001164073617 1383152968 /nfs/dbraw/zinc/15/29/68/1383152968.db2.gz NFJCESRPJPXEON-GHMZBOCLSA-N 1 0 334.807 3.360 20 5 EGBDRO C[NH+]1CCC(C2CCN(c3cc(Cl)ncc3[N+](=O)[O-])CC2)CC1 ZINC001165065893 1383220443 /nfs/dbraw/zinc/22/04/43/1383220443.db2.gz QWJHHBOJGAYQSV-UHFFFAOYSA-N 1 0 338.839 3.201 20 5 EGBDRO CN(CC[NH+]1CCCC1)c1cc(Cl)nc2ccc([N+](=O)[O-])cc21 ZINC001165140919 1383236010 /nfs/dbraw/zinc/23/60/10/1383236010.db2.gz FMVUIZAPVPHNPP-UHFFFAOYSA-N 1 0 334.807 3.328 20 5 EGBDRO C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1c1cccc([N+](=O)[O-])n1 ZINC001165201111 1383246740 /nfs/dbraw/zinc/24/67/40/1383246740.db2.gz JUFNQGYPPLWJHC-GJZGRUSLSA-N 1 0 326.400 3.089 20 5 EGBDRO COC(=O)c1c(C)c([N+](=O)[O-])ccc1N1C(C)(C)CC([NH3+])CC1(C)C ZINC001167626423 1383692393 /nfs/dbraw/zinc/69/23/93/1383692393.db2.gz KVEUBSLGWYWBBA-UHFFFAOYSA-N 1 0 349.431 3.175 20 5 EGBDRO COc1c(F)cc(NCCC[N@@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC001167754146 1383731294 /nfs/dbraw/zinc/73/12/94/1383731294.db2.gz VUYLUAROESQEAZ-GFCCVEGCSA-N 1 0 325.384 3.419 20 5 EGBDRO N=C(Nc1nc2c(ccc3ccccc32)nc1Cl)SCC[NH3+] ZINC001167913373 1383768800 /nfs/dbraw/zinc/76/88/00/1383768800.db2.gz LOKWQUPFIZLNLI-UHFFFAOYSA-N 1 0 331.832 3.475 20 5 EGBDRO [NH3+]Cc1ccc2ncn(-c3ccc4cc(F)cc([N+](=O)[O-])c4n3)c2c1 ZINC001168842012 1384029985 /nfs/dbraw/zinc/02/99/85/1384029985.db2.gz LGEKIMMENBAMOQ-UHFFFAOYSA-N 1 0 337.314 3.080 20 5 EGBDRO CC(C)(C)OC(=O)NCCCCCC[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168960767 1384071880 /nfs/dbraw/zinc/07/18/80/1384071880.db2.gz GZCABNGWLCNLOY-CABCVRRESA-N 1 0 343.468 3.107 20 5 EGBDRO COc1ccc2c(c1)c(C[C@H](C)[NH3+])cn2[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168969517 1384073696 /nfs/dbraw/zinc/07/36/96/1384073696.db2.gz FDMDFKWYEFRKHZ-YDHLFZDLSA-N 1 0 331.416 3.158 20 5 EGBDRO COc1cccc(C(F)(F)F)c1C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168969909 1384073825 /nfs/dbraw/zinc/07/38/25/1384073825.db2.gz GJVIGYUAOSPFJF-QWRGUYRKSA-N 1 0 332.322 3.249 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H](CCO)c2cccc3ccccc32)C1 ZINC001168978173 1384077318 /nfs/dbraw/zinc/07/73/18/1384077318.db2.gz PJTJQAUTUCHEHQ-OGWOLHLISA-N 1 0 328.412 3.298 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CC[C@@H]2CCc3ccc4c(c32)CCO4)C1 ZINC001168984723 1384079558 /nfs/dbraw/zinc/07/95/58/1384079558.db2.gz QFUBFLPMSUYJDD-CWRNSKLLSA-N 1 0 330.428 3.076 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CCc2cc(C(F)(F)F)ccc2F)C1 ZINC001168988180 1384080305 /nfs/dbraw/zinc/08/03/05/1384080305.db2.gz OTBVAMQDACMLSD-MFKMUULPSA-N 1 0 334.313 3.422 20 5 EGBDRO COc1ccccc1CC1(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CCC1 ZINC001168998065 1384082868 /nfs/dbraw/zinc/08/28/68/1384082868.db2.gz HUXWFAVOOXXCDR-RDJZCZTQSA-N 1 0 332.444 3.443 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2cn(Cc3ccccc3Cl)cn2)C1 ZINC001168998088 1384083039 /nfs/dbraw/zinc/08/30/39/1384083039.db2.gz IBUINHIVDAKZRN-HIFRSBDPSA-N 1 0 348.834 3.120 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2c(F)cccc2Br)C1 ZINC001169000989 1384083858 /nfs/dbraw/zinc/08/38/58/1384083858.db2.gz CCPWTEMQQLRHIC-UWVGGRQHSA-N 1 0 331.185 3.123 20 5 EGBDRO CC1([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCN(Cc2ccccc2)CC1 ZINC001169006803 1384086061 /nfs/dbraw/zinc/08/60/61/1384086061.db2.gz ZCPHEALURJMGIL-ZWKOTPCHSA-N 1 0 331.460 3.076 20 5 EGBDRO COc1cccc(OCC2CC[NH+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)c1 ZINC001169038828 1384098138 /nfs/dbraw/zinc/09/81/38/1384098138.db2.gz KTYUGJXKVSIJEB-IRXDYDNUSA-N 1 0 348.443 3.231 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCC(n3ncc4ccccc43)CC2)C1 ZINC001169040144 1384098641 /nfs/dbraw/zinc/09/86/41/1384098641.db2.gz YFUVQLSQCYXZPC-WMLDXEAASA-N 1 0 328.416 3.119 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2Cc3cnc(-c4ccc(F)cc4)nc3C2)C1 ZINC001169046955 1384100018 /nfs/dbraw/zinc/10/00/18/1384100018.db2.gz PDDQJWBZRAOLNU-MLGOLLRUSA-N 1 0 342.374 3.044 20 5 EGBDRO C[C@H]1CCN(Cc2ccccc2)C[C@@H]1[N@H+](C)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169047469 1384100292 /nfs/dbraw/zinc/10/02/92/1384100292.db2.gz REKUVUIQGXILNI-RNQOJCNYSA-N 1 0 345.487 3.274 20 5 EGBDRO COc1cccc([C@@H]2CSCC[N@@H+]2[C@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001169056829 1384101923 /nfs/dbraw/zinc/10/19/23/1384101923.db2.gz SYYIHFMKNLPCOK-KMFMINBZSA-N 1 0 336.457 3.231 20 5 EGBDRO CCCCC(=O)[C@H](C)Nc1ccc([N+](=O)[O-])c(OCC[NH+](C)C)c1 ZINC001169550638 1384158707 /nfs/dbraw/zinc/15/87/07/1384158707.db2.gz GGUNLQYNDCHOBM-ZDUSSCGKSA-N 1 0 337.420 3.095 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+]CC(=O)c2cccc(F)c2)c([N+](=O)[O-])c1 ZINC001170324511 1384291671 /nfs/dbraw/zinc/29/16/71/1384291671.db2.gz QMZCWITXCMXFCF-GFCCVEGCSA-N 1 0 346.358 3.146 20 5 EGBDRO COc1ccc(C[C@@H](C)[N@@H+]2CC[C@@H](c3ccncc3)C2)c([N+](=O)[O-])c1 ZINC001170345392 1384295550 /nfs/dbraw/zinc/29/55/50/1384295550.db2.gz JSBPBNGHNOQFEM-RHSMWYFYSA-N 1 0 341.411 3.419 20 5 EGBDRO COc1ccc(C[C@H](C)[N@@H+]2CCC[C@H]2C(C)(C)OC)c([N+](=O)[O-])c1 ZINC001170348530 1384297661 /nfs/dbraw/zinc/29/76/61/1384297661.db2.gz YBVMOQZKJDFZGF-GUYCJALGSA-N 1 0 336.432 3.424 20 5 EGBDRO COc1ccc(C[C@H](C)[N@H+](CCCCCO)C(C)C)c([N+](=O)[O-])c1 ZINC001170354871 1384299374 /nfs/dbraw/zinc/29/93/74/1384299374.db2.gz QYEXGMTVYFDRFP-HNNXBMFYSA-N 1 0 338.448 3.407 20 5 EGBDRO CC(C)CC(C)(C)C(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001170546937 1384339170 /nfs/dbraw/zinc/33/91/70/1384339170.db2.gz UTRJYMDBDNDABN-UHFFFAOYSA-N 1 0 335.448 3.263 20 5 EGBDRO O=[N+]([O-])c1cc(N[C@@H](Cc2ccccc2)C[NH+]2CCCC2)cnc1F ZINC001170752672 1384379645 /nfs/dbraw/zinc/37/96/45/1384379645.db2.gz UWMWNDFNTBNFKZ-INIZCTEOSA-N 1 0 344.390 3.248 20 5 EGBDRO [NH3+][C@H]1CCc2c3ccccc3n(-c3ccc4c([N+](=O)[O-])c[nH]c4n3)c2C1 ZINC001171090990 1384444231 /nfs/dbraw/zinc/44/42/31/1384444231.db2.gz PBBZHAHEPZTXTA-NSHDSACASA-N 1 0 347.378 3.231 20 5 EGBDRO CCOc1cc(-n2c(CC[NH3+])cc3ccccc32)ccc1[N+](=O)[O-] ZINC001171304432 1384490202 /nfs/dbraw/zinc/49/02/02/1384490202.db2.gz SXSRUKUEZICAHP-UHFFFAOYSA-N 1 0 325.368 3.439 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@@H](CO)c1ccc(F)cc1)CC2 ZINC001172896116 1384873698 /nfs/dbraw/zinc/87/36/98/1384873698.db2.gz MDVODNJZWRBJJU-MJGOQNOKSA-N 1 0 344.386 3.305 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@H](CO)c1ccc(F)cc1)CC2 ZINC001172896117 1384873897 /nfs/dbraw/zinc/87/38/97/1384873897.db2.gz MDVODNJZWRBJJU-PKOBYXMFSA-N 1 0 344.386 3.305 20 5 EGBDRO COc1cc(C[NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)ccn1 ZINC001172896241 1384873985 /nfs/dbraw/zinc/87/39/85/1384873985.db2.gz NMOFWEYWJNEPRL-MRXNPFEDSA-N 1 0 327.384 3.036 20 5 EGBDRO CCOC(=O)CCCC[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172898932 1384873994 /nfs/dbraw/zinc/87/39/94/1384873994.db2.gz JSLSSZOSIGIFCP-MRXNPFEDSA-N 1 0 334.416 3.165 20 5 EGBDRO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172901387 1384874151 /nfs/dbraw/zinc/87/41/51/1384874151.db2.gz IALPISDKCFVYJD-JQHSSLGASA-N 1 0 346.427 3.164 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@H]1CCN(C3CCC3)C1)CC2 ZINC001172903823 1384874610 /nfs/dbraw/zinc/87/46/10/1384874610.db2.gz JMYBYVWOPHKEDB-SJORKVTESA-N 1 0 329.444 3.059 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]Cc1ccc(O)cc1F)CC2 ZINC001172904339 1384874639 /nfs/dbraw/zinc/87/46/39/1384874639.db2.gz XGZJIYZWWQFJLJ-HNNXBMFYSA-N 1 0 330.359 3.477 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]CCC1CCC(O)CC1)CC2 ZINC001172902672 1384874706 /nfs/dbraw/zinc/87/47/06/1384874706.db2.gz LQXIIUDIFCUNDU-LTCLLZNKSA-N 1 0 332.444 3.373 20 5 EGBDRO CC1(C)C[N@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)[C@](C)(CO)C1 ZINC001172905393 1384875408 /nfs/dbraw/zinc/87/54/08/1384875408.db2.gz RRYVNFUGKPKQIS-LPHOPBHVSA-N 1 0 332.444 3.325 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1CCC[C@@](O)(CF)CC1)CC2 ZINC001172908831 1384875897 /nfs/dbraw/zinc/87/58/97/1384875897.db2.gz OUJNBLFWNYSYMV-WMZOPIPTSA-N 1 0 336.407 3.029 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1CCC[C@H]1c1ncccn1)CC2 ZINC001172913076 1384876521 /nfs/dbraw/zinc/87/65/21/1384876521.db2.gz OQRBNYCGWRKPIY-WMZOPIPTSA-N 1 0 338.411 3.469 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH+]1CCC(N3CCC3)CC1)CC2 ZINC001172913527 1384876535 /nfs/dbraw/zinc/87/65/35/1384876535.db2.gz RLHDEADWLSKVLX-KRWDZBQOSA-N 1 0 329.444 3.012 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH+]1CC3(C1)C[C@H](F)CS3)CC2 ZINC001172919576 1384879310 /nfs/dbraw/zinc/87/93/10/1384879310.db2.gz GPQXUEFWXPCDCO-LSDHHAIUSA-N 1 0 336.432 3.372 20 5 EGBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH2+][C@H]3CC34CCC4)CC2)c(F)c1 ZINC001173013665 1384897843 /nfs/dbraw/zinc/89/78/43/1384897843.db2.gz ZGWKVNJRFDDKRA-HNNXBMFYSA-N 1 0 337.370 3.374 20 5 EGBDRO CCCCOCCC[NH2+][C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173189963 1384932971 /nfs/dbraw/zinc/93/29/71/1384932971.db2.gz RXCWXXYFRXWKDG-CYBMUJFWSA-N 1 0 342.411 3.470 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C2(c3cccnc3)CC2)c1F ZINC001173190827 1384933015 /nfs/dbraw/zinc/93/30/15/1384933015.db2.gz HOFDZIPHCKSMGX-LBPRGKRZSA-N 1 0 345.374 3.347 20 5 EGBDRO CCC[N@H+](CCOC)[C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173186454 1384933156 /nfs/dbraw/zinc/93/31/56/1384933156.db2.gz RWUFPAIYHCQHIH-LBPRGKRZSA-N 1 0 328.384 3.032 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2CCc3cnccc3C2)c1F ZINC001173187113 1384933185 /nfs/dbraw/zinc/93/31/85/1384933185.db2.gz XDDQYXPVMJHKHP-GFCCVEGCSA-N 1 0 345.374 3.127 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@H]2CCOC(C)(C)C2)c1F ZINC001173189350 1384933752 /nfs/dbraw/zinc/93/37/52/1384933752.db2.gz OOAIPASTINEKJN-RYUDHWBXSA-N 1 0 340.395 3.221 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CCc2cc(C)ccn2)c1F ZINC001173192548 1384934365 /nfs/dbraw/zinc/93/43/65/1384934365.db2.gz QQAGZDDAVBXYNO-CYBMUJFWSA-N 1 0 347.390 3.209 20 5 EGBDRO COC(=O)[C@H](N[C@@H](C)Cc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC001173210051 1384936039 /nfs/dbraw/zinc/93/60/39/1384936039.db2.gz HBXJVHLEBPHHMD-SUMWQHHRSA-N 1 0 334.416 3.237 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1CCN(C(=O)C(C)(C)C)CC1 ZINC001173221887 1384938459 /nfs/dbraw/zinc/93/84/59/1384938459.db2.gz QQFREPVTTBUQJZ-AWEZNQCLSA-N 1 0 347.459 3.153 20 5 EGBDRO CCOc1cc(C[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)ccc1O ZINC001173220903 1384938653 /nfs/dbraw/zinc/93/86/53/1384938653.db2.gz HZCCLCFMYXHHGK-CYBMUJFWSA-N 1 0 330.384 3.420 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCN(c2ccccc2F)CC1 ZINC001173226321 1384939474 /nfs/dbraw/zinc/93/94/74/1384939474.db2.gz IFQCBFWMTPXGKG-OAHLLOKOSA-N 1 0 343.402 3.487 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](CO)c1cc(F)ccc1F ZINC001173229601 1384940682 /nfs/dbraw/zinc/94/06/82/1384940682.db2.gz OAACQUCASWPSOL-PIGZYNQJSA-N 1 0 336.338 3.127 20 5 EGBDRO COCC1([NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)Cc2ccccc2C1 ZINC001173229841 1384940765 /nfs/dbraw/zinc/94/07/65/1384940765.db2.gz VSWUHFQLDMAGIY-OAHLLOKOSA-N 1 0 340.423 3.299 20 5 EGBDRO CCOC(=O)[C@H]1CCCC[N@@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173232343 1384941179 /nfs/dbraw/zinc/94/11/79/1384941179.db2.gz FHXCXVJSWIIXCZ-ZBFHGGJFSA-N 1 0 334.416 3.191 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@]12C[C@H]3C[C@@H](C1)C[C@](O)(C3)C2 ZINC001173234160 1384941749 /nfs/dbraw/zinc/94/17/49/1384941749.db2.gz OBKNUFGPKRTRJP-XYYYAOKXSA-N 1 0 330.428 3.199 20 5 EGBDRO CCOC(=O)C[C@@H]1CC[N@@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC001173237036 1384942215 /nfs/dbraw/zinc/94/22/15/1384942215.db2.gz GWHXNTJJWIPHSQ-ZOBUZTSGSA-N 1 0 348.443 3.437 20 5 EGBDRO Cc1ccc(O[C@@H]2CC[N@@H+]([C@H](C)Cc3ccc([N+](=O)[O-])cc3)C2)nc1 ZINC001173236810 1384942235 /nfs/dbraw/zinc/94/22/35/1384942235.db2.gz FIZGQHLIDUOCLQ-CRAIPNDOSA-N 1 0 341.411 3.383 20 5 EGBDRO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2-c1cnn(C)c1C ZINC001174392135 1385104317 /nfs/dbraw/zinc/10/43/17/1385104317.db2.gz RTLPYGNSXRQLCP-UHFFFAOYSA-N 1 0 347.422 3.286 20 5 EGBDRO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2-c1cnn(CC)c1 ZINC001174572380 1385121107 /nfs/dbraw/zinc/12/11/07/1385121107.db2.gz RJJQUSRGKNJVNR-UHFFFAOYSA-N 1 0 347.422 3.460 20 5 EGBDRO CCc1ccc(C(=O)NCCC[NH2+]Cc2ccccc2[N+](=O)[O-])cc1 ZINC001175085602 1385192522 /nfs/dbraw/zinc/19/25/22/1385192522.db2.gz QHGLFVMECHWSQX-UHFFFAOYSA-N 1 0 341.411 3.067 20 5 EGBDRO CC[N@@H+]1CCC[C@H](CNC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC001319191367 1385999788 /nfs/dbraw/zinc/99/97/88/1385999788.db2.gz BEEYDZMLMZKRDQ-CQSZACIVSA-N 1 0 334.420 3.065 20 5 EGBDRO O=C(CC[N@@H+]1CC[C@@H]2CCCC[C@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC001319392491 1386100878 /nfs/dbraw/zinc/10/08/78/1386100878.db2.gz VJVNPHOGWZLSQZ-GJZGRUSLSA-N 1 0 331.416 3.436 20 5 EGBDRO C[C@@H](C[NH+]1CCC(C)CC1)c1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001322293941 1387145466 /nfs/dbraw/zinc/14/54/66/1387145466.db2.gz HTTWPEYMHDUTED-ZDUSSCGKSA-N 1 0 330.388 3.480 20 5 EGBDRO COc1c(O)ccc(C[NH2+]CCCOCc2ccccc2)c1[N+](=O)[O-] ZINC001336707887 1389141937 /nfs/dbraw/zinc/14/19/37/1389141937.db2.gz VVFMQFSXMXQKPC-UHFFFAOYSA-N 1 0 346.383 3.006 20 5 EGBDRO CC[NH+](CC)C1CCN(Cc2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC001338019877 1389519296 /nfs/dbraw/zinc/51/92/96/1389519296.db2.gz IBDAUTRBTPASFK-UHFFFAOYSA-N 1 0 339.411 3.049 20 5 EGBDRO Cc1cncc([N+](=O)[O-])c1NC[C@H](c1ccccc1Cl)N(C)C ZINC001338829564 1389782310 /nfs/dbraw/zinc/78/23/10/1389782310.db2.gz RUAUZGRFWFZXRZ-CQSZACIVSA-N 1 0 334.807 3.088 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1-c1noc(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC001332358317 1390095583 /nfs/dbraw/zinc/09/55/83/1390095583.db2.gz HDOJLPDZIBKLQG-AGUYFDCRSA-N 1 0 342.399 3.335 20 5 EGBDRO C[C@@H]1OCC[C@@]1(C)[NH2+]Cc1cc([N+](=O)[O-])ccc1Br ZINC001332990311 1390231428 /nfs/dbraw/zinc/23/14/28/1390231428.db2.gz KBTDWPWRTLQQCP-TVQRCGJNSA-N 1 0 329.194 3.014 20 5 EGBDRO CO[C@@H]1CC[C@@H]([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC001333001495 1390234535 /nfs/dbraw/zinc/23/45/35/1390234535.db2.gz WELQSDKWFDDVGN-HTQZYQBOSA-N 1 0 335.223 3.076 20 5 EGBDRO C[C@H](NC(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC001344790318 1390815006 /nfs/dbraw/zinc/81/50/06/1390815006.db2.gz VFFVNXSADQBSTD-GDZNZVCISA-N 1 0 327.384 3.108 20 5 EGBDRO COC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001347648613 1391105460 /nfs/dbraw/zinc/10/54/60/1391105460.db2.gz SOQFVTXEAUNDGY-DGCLKSJQSA-N 1 0 346.305 3.045 20 5 EGBDRO Cc1ccc2[nH]cc(CC[NH2+]C[C@@H](O)c3ccc([N+](=O)[O-])cc3)c2c1 ZINC001353261965 1391977588 /nfs/dbraw/zinc/97/75/88/1391977588.db2.gz TVVDJICDSJKRSY-LJQANCHMSA-N 1 0 339.395 3.250 20 5 EGBDRO Cc1csc(C(=O)NCCC[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001751968213 1440129195 /nfs/dbraw/zinc/12/91/95/1440129195.db2.gz QANFPMRNMWMDIS-UHFFFAOYSA-N 1 0 347.440 3.217 20 5 EGBDRO CCC1(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)CCCC1 ZINC001752772060 1440206201 /nfs/dbraw/zinc/20/62/01/1440206201.db2.gz MCPFSUORXUUSBW-IYBDPMFKSA-N 1 0 345.443 3.302 20 5 EGBDRO CCC[N@H+](CCNC(=O)C1CC2(CC2)C1)Cc1cccc([N+](=O)[O-])c1 ZINC001753147423 1440325168 /nfs/dbraw/zinc/32/51/68/1440325168.db2.gz CRKJZHVAYGXJRZ-UHFFFAOYSA-N 1 0 345.443 3.113 20 5 EGBDRO CCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCN(C(=O)C2(C)CC2)CC1 ZINC001755069241 1440746067 /nfs/dbraw/zinc/74/60/67/1440746067.db2.gz PXMIFFNHGXXUEF-UHFFFAOYSA-N 1 0 345.443 3.256 20 5 EGBDRO CN(CC(C)(C)C[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)C1=CCCC1 ZINC001755279117 1440800057 /nfs/dbraw/zinc/80/00/57/1440800057.db2.gz DSJDJBBXOQDNPH-UHFFFAOYSA-N 1 0 345.443 3.279 20 5 EGBDRO CC(C)C(=O)NC1(C[NH2+]Cc2csc([N+](=O)[O-])c2)CCCCC1 ZINC001755347230 1440826745 /nfs/dbraw/zinc/82/67/45/1440826745.db2.gz CMDKOPCROAXWTN-UHFFFAOYSA-N 1 0 339.461 3.221 20 5 EGBDRO O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)c1ccccc1[N+](=O)[O-] ZINC000056325808 214370877 /nfs/dbraw/zinc/37/08/77/214370877.db2.gz SCIASLIIFHLYTA-UHFFFAOYSA-N 1 0 339.395 3.485 20 5 EGBDRO C[C@@H](NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000056382923 214373689 /nfs/dbraw/zinc/37/36/89/214373689.db2.gz SPCBDKHDEWRUHA-GFCCVEGCSA-N 1 0 348.447 3.264 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000056530521 214379437 /nfs/dbraw/zinc/37/94/37/214379437.db2.gz DMBUDEBIAVEVOT-UHFFFAOYSA-N 1 0 348.447 3.489 20 5 EGBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](CC3CC3)CC2)cc1OC(F)F ZINC000174692874 231282272 /nfs/dbraw/zinc/28/22/72/231282272.db2.gz VSGKTWSZZXIJQY-UHFFFAOYSA-N 1 0 341.358 3.483 20 5 EGBDRO C[C@H]([NH2+]CCCc1nnc2n1CCCCC2)c1ccc([N+](=O)[O-])cc1 ZINC000178528075 232232082 /nfs/dbraw/zinc/23/20/82/232232082.db2.gz OLILAKDZDCLXOU-AWEZNQCLSA-N 1 0 343.431 3.196 20 5 EGBDRO C[C@@H]([NH2+]C1CCN(C(=O)c2ccco2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000178641485 232327250 /nfs/dbraw/zinc/32/72/50/232327250.db2.gz WZQQNURKGNPMRI-CYBMUJFWSA-N 1 0 343.383 3.143 20 5 EGBDRO C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000178654721 232343734 /nfs/dbraw/zinc/34/37/34/232343734.db2.gz CWQNMLOTSIUDTJ-CXAGYDPISA-N 1 0 325.368 3.051 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2nccs2)cc1[N+](=O)[O-] ZINC000178685985 232377882 /nfs/dbraw/zinc/37/78/82/232377882.db2.gz KXDKGWSBVIRFLT-GHMZBOCLSA-N 1 0 334.401 3.038 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)NC2CCCCC2)cc1[N+](=O)[O-] ZINC000178690949 232380730 /nfs/dbraw/zinc/38/07/30/232380730.db2.gz UDUHVCJZAAFBRE-KBPBESRZSA-N 1 0 333.432 3.391 20 5 EGBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000358344496 283186219 /nfs/dbraw/zinc/18/62/19/283186219.db2.gz VRRJTKKNBFEMBS-QWHCGFSZSA-N 1 0 339.411 3.074 20 5 EGBDRO Cc1nc(N2CCC(CCC[NH+]3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000129676120 223080101 /nfs/dbraw/zinc/08/01/01/223080101.db2.gz WMLJCXHCSZENHA-UHFFFAOYSA-N 1 0 332.448 3.391 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CC[C@H](C[NH+]3CCCC3)C2)c2ccncc21 ZINC000131710397 223262184 /nfs/dbraw/zinc/26/21/84/223262184.db2.gz AOEIMKKYYMYBGU-CQSZACIVSA-N 1 0 326.400 3.065 20 5 EGBDRO Cc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)c(C[NH+](C)C)c1 ZINC000072840543 216315083 /nfs/dbraw/zinc/31/50/83/216315083.db2.gz VQWSCMXHQIWTOJ-UHFFFAOYSA-N 1 0 327.384 3.146 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000191353782 239060963 /nfs/dbraw/zinc/06/09/63/239060963.db2.gz YRCSTDIIPQRLQA-CQSZACIVSA-N 1 0 334.420 3.017 20 5 EGBDRO O=[N+]([O-])c1ccc(OCC[NH+]2CCC(c3ccncc3)CC2)cc1 ZINC000191672078 239243327 /nfs/dbraw/zinc/24/33/27/239243327.db2.gz QQQBBIYMEGPONY-UHFFFAOYSA-N 1 0 327.384 3.248 20 5 EGBDRO C[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000194006111 240398297 /nfs/dbraw/zinc/39/82/97/240398297.db2.gz JUQMFKYKDGJYJF-GXFFZTMASA-N 1 0 325.796 3.355 20 5 EGBDRO CCCCNC(=O)c1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000236799109 242361786 /nfs/dbraw/zinc/36/17/86/242361786.db2.gz UAJLNCRMVCAKAD-UHFFFAOYSA-N 1 0 341.411 3.415 20 5 EGBDRO CC(C)c1ccc(C[NH2+][C@H](C)C(=O)NCc2ccco2)cc1[N+](=O)[O-] ZINC000111399198 220149163 /nfs/dbraw/zinc/14/91/63/220149163.db2.gz NGQLNZPKMLNQNI-CYBMUJFWSA-N 1 0 345.399 3.106 20 5 EGBDRO Cn1cc(C[NH2+]CC2CCSCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000264974145 247099552 /nfs/dbraw/zinc/09/95/52/247099552.db2.gz RRPJZOSLVVCSRJ-UHFFFAOYSA-N 1 0 346.456 3.228 20 5 EGBDRO COC1CCC([N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000265222997 247313537 /nfs/dbraw/zinc/31/35/37/247313537.db2.gz OXLQHIWHLRJVLF-UHFFFAOYSA-N 1 0 349.431 3.121 20 5 EGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000266523864 248344365 /nfs/dbraw/zinc/34/43/65/248344365.db2.gz JKUNSTORXSQYPC-KGLIPLIRSA-N 1 0 341.415 3.073 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000092230083 218128073 /nfs/dbraw/zinc/12/80/73/218128073.db2.gz SYLVGVBIDQNHIE-HUUCEWRRSA-N 1 0 333.432 3.123 20 5 EGBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCCC4(CCOCC4)C3)nc2c1 ZINC000267600693 251184015 /nfs/dbraw/zinc/18/40/15/251184015.db2.gz LJWGDALDLFFSPE-UHFFFAOYSA-N 1 0 331.372 3.129 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3C=C[C@H](CO)C3)s2)cc1 ZINC000268770399 252219828 /nfs/dbraw/zinc/21/98/28/252219828.db2.gz DUEJEJGNYQOWHB-GXTWGEPZSA-N 1 0 330.409 3.350 20 5 EGBDRO C[C@@H]1CC[C@H]([NH2+]CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)[C@H](C)C1 ZINC000119208320 221266281 /nfs/dbraw/zinc/26/62/81/221266281.db2.gz DENGOKHZHAIWLH-NFAWXSAZSA-N 1 0 347.415 3.307 20 5 EGBDRO Cc1ccc(CNc2ccc(OCC[NH+](C)C)cc2)cc1[N+](=O)[O-] ZINC000119681764 221376346 /nfs/dbraw/zinc/37/63/46/221376346.db2.gz MUOJOZZTQZVKJS-UHFFFAOYSA-N 1 0 329.400 3.456 20 5 EGBDRO C[C@H](CC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[NH2+]C1 ZINC000237619871 141010466 /nfs/dbraw/zinc/01/04/66/141010466.db2.gz HONZCEZAPQMPBJ-WBVHZDCISA-N 1 0 347.459 3.060 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(NC[C@H]2CC[N@H+](CCc3ccccc3)C2)n1 ZINC000178211123 144066374 /nfs/dbraw/zinc/06/63/74/144066374.db2.gz LOBZPVMIGPZKMY-QGZVFWFLSA-N 1 0 340.427 3.275 20 5 EGBDRO CC[NH2+]CC1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 ZINC000178281850 144068647 /nfs/dbraw/zinc/06/86/47/144068647.db2.gz JJVLMUFPOWTXPE-UHFFFAOYSA-N 1 0 347.440 3.271 20 5 EGBDRO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1COc2ccccc21 ZINC000185575231 144115191 /nfs/dbraw/zinc/11/51/91/144115191.db2.gz QYFZLSVFTWSDKX-GUYCJALGSA-N 1 0 328.368 3.128 20 5 EGBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H]2CCCc3c(O)cccc32)cc1 ZINC000192365160 144173614 /nfs/dbraw/zinc/17/36/14/144173614.db2.gz GDHUFSCLFCWZRO-QGZVFWFLSA-N 1 0 328.368 3.346 20 5 EGBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000351484479 144267896 /nfs/dbraw/zinc/26/78/96/144267896.db2.gz UMYXTDCLHMSKJK-QWHCGFSZSA-N 1 0 345.399 3.191 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+](CC3CC3)C3CCC3)o2)cc1 ZINC000361585569 144332436 /nfs/dbraw/zinc/33/24/36/144332436.db2.gz PYXJIGSOELLOCS-UHFFFAOYSA-N 1 0 328.372 3.409 20 5 EGBDRO CCOC1(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCCC1 ZINC000340466199 286009055 /nfs/dbraw/zinc/00/90/55/286009055.db2.gz PZVQHOPIONVZKS-LSDHHAIUSA-N 1 0 336.436 3.214 20 5 EGBDRO CC[C@@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000341222616 155211628 /nfs/dbraw/zinc/21/16/28/155211628.db2.gz YEAHVHKWYDAYAH-FUHWJXTLSA-N 1 0 330.384 3.075 20 5 EGBDRO CC(=O)c1cc(NC[C@@H](Cc2ccccc2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000341337003 155238497 /nfs/dbraw/zinc/23/84/97/155238497.db2.gz DEKSRSCUAZQKBM-QGZVFWFLSA-N 1 0 341.411 3.382 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)N2C[C@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000181806758 292246634 /nfs/dbraw/zinc/24/66/34/292246634.db2.gz BYHVBNKWNZXEDL-GUTXKFCHSA-N 1 0 333.432 3.058 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+]CCCN2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000119902553 152237526 /nfs/dbraw/zinc/23/75/26/152237526.db2.gz FFNHNMHOSCKPIV-OWCLPIDISA-N 1 0 335.448 3.053 20 5 EGBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2C[C@H]3CCCC[C@@]32c2ccccc2)c1 ZINC000120157740 152256789 /nfs/dbraw/zinc/25/67/89/152256789.db2.gz COGHCDYWGFRRIQ-SJLPKXTDSA-N 1 0 326.400 3.193 20 5 EGBDRO COc1ccc(-c2ccc(C[NH2+][C@@]3(C)CCOC3)o2)c([N+](=O)[O-])c1 ZINC000120207357 152259818 /nfs/dbraw/zinc/25/98/18/152259818.db2.gz GNLMXGAIKQEODI-KRWDZBQOSA-N 1 0 332.356 3.132 20 5 EGBDRO CCO[C@H]1C[C@H]([N@H+](C)Cc2ccc(OC)c([N+](=O)[O-])c2)C12CCC2 ZINC000120811270 152302698 /nfs/dbraw/zinc/30/26/98/152302698.db2.gz YZSXXQCLPUQXMM-IRXDYDNUSA-N 1 0 334.416 3.383 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000121944317 152380071 /nfs/dbraw/zinc/38/00/71/152380071.db2.gz QNXGWWFWUNTIOL-UHFFFAOYSA-N 1 0 345.374 3.034 20 5 EGBDRO Cc1cc(C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000122509187 152409845 /nfs/dbraw/zinc/40/98/45/152409845.db2.gz BCEMIOKQBRXRFE-QGZVFWFLSA-N 1 0 345.374 3.075 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H](O)Cc1ccccc1)CCC2 ZINC000192833817 153261908 /nfs/dbraw/zinc/26/19/08/153261908.db2.gz NURZLUYMCNCSDE-IEBWSBKVSA-N 1 0 326.396 3.165 20 5 EGBDRO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(NC(N)=O)cc1 ZINC000192846927 153264406 /nfs/dbraw/zinc/26/44/06/153264406.db2.gz IOUXEQLDOVKNBN-RYUDHWBXSA-N 1 0 328.372 3.497 20 5 EGBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000302999030 154034024 /nfs/dbraw/zinc/03/40/24/154034024.db2.gz MMDNZJJLRZEQLS-HZSPNIEDSA-N 1 0 334.420 3.083 20 5 EGBDRO Cc1c(C[NH2+]Cc2cnn(Cc3ccccc3)c2)cccc1[N+](=O)[O-] ZINC000310605032 154142957 /nfs/dbraw/zinc/14/29/57/154142957.db2.gz DBWQALZGALGWNR-UHFFFAOYSA-N 1 0 336.395 3.438 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000326614352 154183699 /nfs/dbraw/zinc/18/36/99/154183699.db2.gz PMJBQQYTGUOWIW-KRWDZBQOSA-N 1 0 327.384 3.113 20 5 EGBDRO Cc1nccnc1CC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000339532960 154870404 /nfs/dbraw/zinc/87/04/04/154870404.db2.gz ZQYQVWAPUCIWKW-UHFFFAOYSA-N 1 0 338.367 3.286 20 5 EGBDRO Cc1cnc(CC[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)nc1 ZINC000340107989 155100970 /nfs/dbraw/zinc/10/09/70/155100970.db2.gz GNQCMVQAGLLJNO-UHFFFAOYSA-N 1 0 338.367 3.286 20 5 EGBDRO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)C1CCOCC1 ZINC000343382758 155779334 /nfs/dbraw/zinc/77/93/34/155779334.db2.gz HGUFJPGOXWLTJR-UKRRQHHQSA-N 1 0 349.431 3.025 20 5 EGBDRO CN(CC[NH+]1CCCC1)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000349083656 156349110 /nfs/dbraw/zinc/34/91/10/156349110.db2.gz YOCHYBVDSOBXSC-UHFFFAOYSA-N 1 0 329.400 3.382 20 5 EGBDRO COc1cc(C[N@@H+]2CCC[C@@H]2C2CCOCC2)c([N+](=O)[O-])cc1F ZINC000362182512 157061723 /nfs/dbraw/zinc/06/17/23/157061723.db2.gz RAYZIYMBPLCPHW-OAHLLOKOSA-N 1 0 338.379 3.134 20 5 EGBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000365651237 157205379 /nfs/dbraw/zinc/20/53/79/157205379.db2.gz BGZHDAWZOYBOLT-ZDUSSCGKSA-N 1 0 339.823 3.222 20 5 EGBDRO CCOc1cc(C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)ccc1[N+](=O)[O-] ZINC000372803438 157387536 /nfs/dbraw/zinc/38/75/36/157387536.db2.gz CPYOIGHDGMXNKQ-AWEZNQCLSA-N 1 0 330.388 3.096 20 5 EGBDRO Cc1c(NC(=O)NC[C@H](c2ccccc2)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000075987045 161713266 /nfs/dbraw/zinc/71/32/66/161713266.db2.gz WKFHHOAEPAMLRM-QGZVFWFLSA-N 1 0 342.399 3.328 20 5 EGBDRO Cc1ccc(C(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000342374153 163861992 /nfs/dbraw/zinc/86/19/92/163861992.db2.gz AQSDJJICEIIUEJ-OAHLLOKOSA-N 1 0 341.411 3.154 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H](C)CC(C)(C)C1 ZINC000344078166 164098111 /nfs/dbraw/zinc/09/81/11/164098111.db2.gz XLEBTENOUSCVJJ-CYBMUJFWSA-N 1 0 349.431 3.300 20 5 EGBDRO C[C@H]([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CCCOC1 ZINC000348140457 164647627 /nfs/dbraw/zinc/64/76/27/164647627.db2.gz KSLDURUXGCJGQC-JSGCOSHPSA-N 1 0 331.372 3.155 20 5 EGBDRO COc1ccccc1[C@@H]1CC[C@H](C)C[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000352249940 165308873 /nfs/dbraw/zinc/30/88/73/165308873.db2.gz AVULQOUKUAFXOZ-YOEHRIQHSA-N 1 0 344.415 3.273 20 5 EGBDRO O=C(NCCCCC[NH+]1CCCC1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000357082191 166578896 /nfs/dbraw/zinc/57/88/96/166578896.db2.gz WAARECZEJXHCOZ-UHFFFAOYSA-N 1 0 345.399 3.337 20 5 EGBDRO C[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000359136183 167078217 /nfs/dbraw/zinc/07/82/17/167078217.db2.gz GESQPHVCWBYPBV-SNVBAGLBSA-N 1 0 342.321 3.283 20 5 EGBDRO C[C@@H]([NH2+][C@H]1CC(=O)N(c2ccccc2F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000359394227 167144846 /nfs/dbraw/zinc/14/48/46/167144846.db2.gz KYZLYWGOLJZXMB-OCCSQVGLSA-N 1 0 343.358 3.190 20 5 EGBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H](CC(C)C)[NH+](CC)CC ZINC000359457543 167161639 /nfs/dbraw/zinc/16/16/39/167161639.db2.gz OJZNXHAYCQANBF-AWEZNQCLSA-N 1 0 325.457 3.288 20 5 EGBDRO CCC[C@@H]([NH2+]C[C@H](C(C)C)N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000359686976 167209515 /nfs/dbraw/zinc/20/95/15/167209515.db2.gz PDUQYWGUVZJVER-RTBURBONSA-N 1 0 349.475 3.382 20 5 EGBDRO CC[C@@H](C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)[NH+](CC)CC ZINC000359722893 167213880 /nfs/dbraw/zinc/21/38/80/167213880.db2.gz VYBCSOWUJCXKCX-KRWDZBQOSA-N 1 0 333.432 3.206 20 5 EGBDRO O=C1CC[C@@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)c2cc(F)ccc2N1 ZINC000360612855 167369300 /nfs/dbraw/zinc/36/93/00/167369300.db2.gz KOWITMORESDJRN-MRXNPFEDSA-N 1 0 343.358 3.340 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[NH+]1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC000360630136 167374006 /nfs/dbraw/zinc/37/40/06/167374006.db2.gz QKLUZWUEVUFXHZ-UHFFFAOYSA-N 1 0 344.386 3.304 20 5 EGBDRO CCC[C@]1(CO)CC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000367361244 168214529 /nfs/dbraw/zinc/21/45/29/168214529.db2.gz ODLOGRBPWHQIQU-SFHVURJKSA-N 1 0 345.399 3.234 20 5 EGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1cnc2n1CCCC2 ZINC000367438606 168225751 /nfs/dbraw/zinc/22/57/51/168225751.db2.gz OEUCSRYGLHFJQK-CQSZACIVSA-N 1 0 328.416 3.239 20 5 EGBDRO COCC[NH+]1CCC(Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)CC1 ZINC000122356692 222069893 /nfs/dbraw/zinc/06/98/93/222069893.db2.gz UNZQXCIXSBBPAT-UHFFFAOYSA-N 1 0 348.230 3.424 20 5 EGBDRO C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000123126457 222219564 /nfs/dbraw/zinc/21/95/64/222219564.db2.gz OPWBBDROGFCYJG-ZDUSSCGKSA-N 1 0 345.374 3.283 20 5 EGBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000177603276 265266358 /nfs/dbraw/zinc/26/63/58/265266358.db2.gz QRXPGADCZKDXIU-CHWSQXEVSA-N 1 0 347.440 3.412 20 5 EGBDRO CC[NH+](CC)[C@H](CNC(=O)c1ccc([N+](=O)[O-])s1)CC(C)C ZINC000195571295 266186484 /nfs/dbraw/zinc/18/64/84/266186484.db2.gz VOYQUYPUGHJGRW-LBPRGKRZSA-N 1 0 327.450 3.143 20 5 EGBDRO Cc1cc(C(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)cc([N+](=O)[O-])c1 ZINC000195691998 266189291 /nfs/dbraw/zinc/18/92/91/266189291.db2.gz AEDJEJYLGVVKOK-SFHVURJKSA-N 1 0 347.459 3.390 20 5 EGBDRO Cc1nc(C)c([C@H](C)[N@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)s1 ZINC000269629449 266329216 /nfs/dbraw/zinc/32/92/16/266329216.db2.gz DZLPFPINDCLGKV-XHDPSFHLSA-N 1 0 335.429 3.395 20 5 EGBDRO Cc1csc(C2([NH2+]C[C@@H](O)c3cccc([N+](=O)[O-])c3)CCCC2)n1 ZINC000269655517 266336226 /nfs/dbraw/zinc/33/62/26/266336226.db2.gz OEAMRSICQBLDIG-OAHLLOKOSA-N 1 0 347.440 3.452 20 5 EGBDRO C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)CC1(O)CCCC1 ZINC000269804677 266359953 /nfs/dbraw/zinc/35/99/53/266359953.db2.gz NGMDVTSEJVIVEF-UHFFFAOYSA-N 1 0 345.399 3.029 20 5 EGBDRO C[C@H](CCNC(=O)c1cccc(Cl)c1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000273105228 266976642 /nfs/dbraw/zinc/97/66/42/266976642.db2.gz AAHKQBBOIJHZOH-GFCCVEGCSA-N 1 0 339.823 3.243 20 5 EGBDRO CC(C)(O)C[N@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)C1CC1 ZINC000275159806 267325788 /nfs/dbraw/zinc/32/57/88/267325788.db2.gz XJQQNVLSLZSROH-UHFFFAOYSA-N 1 0 343.221 3.093 20 5 EGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCOCC(F)F ZINC000276516989 267565167 /nfs/dbraw/zinc/56/51/67/267565167.db2.gz BOXBTPUBDNNORN-NSHDSACASA-N 1 0 334.388 3.337 20 5 EGBDRO O=[N+]([O-])c1cc2ccccc2nc1N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000276587285 267579645 /nfs/dbraw/zinc/57/96/45/267579645.db2.gz JCPJAEGIUNVCJF-CQSZACIVSA-N 1 0 326.400 3.065 20 5 EGBDRO CCOc1cc(C[NH+]2CCC([C@@H]3CCCO3)CC2)ccc1[N+](=O)[O-] ZINC000276832531 267636125 /nfs/dbraw/zinc/63/61/25/267636125.db2.gz BHVSZKGCTSDEMA-KRWDZBQOSA-N 1 0 334.416 3.385 20 5 EGBDRO Cc1c([C@@H](C)NCCC[N@@H+]2CCCO[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000278385802 268000616 /nfs/dbraw/zinc/00/06/16/268000616.db2.gz CNVGXATZDRWYFW-GOEBONIOSA-N 1 0 335.448 3.055 20 5 EGBDRO C[NH+](C)CCCNc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] ZINC000278386507 268001714 /nfs/dbraw/zinc/00/17/14/268001714.db2.gz FNXXVYAKLNYQHF-UHFFFAOYSA-N 1 0 342.268 3.008 20 5 EGBDRO COC[C@H]([NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H]1CCCO1 ZINC000278557252 268039163 /nfs/dbraw/zinc/03/91/63/268039163.db2.gz CAYNMVHLSMCDEN-WMZOPIPTSA-N 1 0 346.383 3.138 20 5 EGBDRO O=[N+]([O-])c1ccc2oc(C[NH2+][C@@H]3CCc4ccccc4OC3)nc2c1 ZINC000374669138 275039147 /nfs/dbraw/zinc/03/91/47/275039147.db2.gz ALWOMXMHDVWIGU-CYBMUJFWSA-N 1 0 339.351 3.219 20 5 EGBDRO CN(C)C(=O)C(C)(C)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000108422086 275175601 /nfs/dbraw/zinc/17/56/01/275175601.db2.gz CWSBLBIORZGEAP-UHFFFAOYSA-N 1 0 347.440 3.280 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cn3cc(Cl)ccc3n2)cc1 ZINC000172119048 275196849 /nfs/dbraw/zinc/19/68/49/275196849.db2.gz AOMZFBGWDHNGTA-UHFFFAOYSA-N 1 0 330.775 3.228 20 5 EGBDRO C[C@H](CO[C@@H]1CCOC1)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279124596 275305809 /nfs/dbraw/zinc/30/58/09/275305809.db2.gz QHQVDELHQASHOD-SUYBPPKGSA-N 1 0 334.416 3.101 20 5 EGBDRO Cc1ccc(C[NH2+]C2CCN(c3nccs3)CC2)cc1[N+](=O)[O-] ZINC000282376720 275627327 /nfs/dbraw/zinc/62/73/27/275627327.db2.gz XCXJUARHGYPFKS-UHFFFAOYSA-N 1 0 332.429 3.118 20 5 EGBDRO COc1ccc([C@@H](C[NH+](C)C)NCc2csc([N+](=O)[O-])c2)cc1 ZINC000283907485 275759945 /nfs/dbraw/zinc/75/99/45/275759945.db2.gz IDKTWJWTRNMINM-OAHLLOKOSA-N 1 0 335.429 3.057 20 5 EGBDRO Cc1ccc(C[NH2+][C@H]2CCO[C@@H]2c2ccnn2C(C)C)cc1[N+](=O)[O-] ZINC000284698665 275819647 /nfs/dbraw/zinc/81/96/47/275819647.db2.gz JPGLVGBCDCDCGM-YJBOKZPZSA-N 1 0 344.415 3.300 20 5 EGBDRO C[C@@H]([NH2+]CCC(=O)N1CCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000285016799 275842355 /nfs/dbraw/zinc/84/23/55/275842355.db2.gz MGQASWQZRNTCKG-CQSZACIVSA-N 1 0 339.395 3.225 20 5 EGBDRO CCS[C@@H]1CCC[C@@H]1[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000286078372 275948963 /nfs/dbraw/zinc/94/89/63/275948963.db2.gz JYNPFPOQUHAIDR-UONOGXRCSA-N 1 0 348.428 3.409 20 5 EGBDRO CCC[NH+]1CCC(N(C)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000286433700 276000018 /nfs/dbraw/zinc/00/00/18/276000018.db2.gz NCMWJLZEAIOEKH-UHFFFAOYSA-N 1 0 327.375 3.179 20 5 EGBDRO CNC(=O)CC[C@H]1CCCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000286467451 276004432 /nfs/dbraw/zinc/00/44/32/276004432.db2.gz NKMYYAAJLULYCL-CYBMUJFWSA-N 1 0 339.823 3.129 20 5 EGBDRO C[NH+](C)[C@@H](CNc1ncnc2sc([N+](=O)[O-])cc21)c1cccs1 ZINC000286727613 276037233 /nfs/dbraw/zinc/03/72/33/276037233.db2.gz DKZOFURTEYSYNB-JTQLQIEISA-N 1 0 349.441 3.376 20 5 EGBDRO CCC[C@H]1C[NH2+]CCN1C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000359219061 276050487 /nfs/dbraw/zinc/05/04/87/276050487.db2.gz HTAVEJXIORGPBT-AWEZNQCLSA-N 1 0 333.432 3.106 20 5 EGBDRO O=[N+]([O-])c1ccc(Cl)cc1CN1CC[C@@H](OCc2ccncc2)C1 ZINC000287760948 276154769 /nfs/dbraw/zinc/15/47/69/276154769.db2.gz MGEJBDJCYAQTPG-MRXNPFEDSA-N 1 0 347.802 3.434 20 5 EGBDRO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@](CO)(Cc3ccc(F)cc3)C2)c1 ZINC000288696545 276243140 /nfs/dbraw/zinc/24/31/40/276243140.db2.gz DMUPTUHROMEANL-IBGZPJMESA-N 1 0 344.386 3.161 20 5 EGBDRO CC[NH2+]CC1CCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000168229232 276264436 /nfs/dbraw/zinc/26/44/36/276264436.db2.gz YLKINNQDDULHEW-UHFFFAOYSA-N 1 0 342.237 3.183 20 5 EGBDRO C[C@@H](C[S@@](C)=O)N(C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000289304072 276318918 /nfs/dbraw/zinc/31/89/18/276318918.db2.gz BVAREYOEINDVNL-FFVOIRBGSA-N 1 0 339.244 3.100 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCC1(C)CC[NH+](C)CC1 ZINC000289679234 276376961 /nfs/dbraw/zinc/37/69/61/276376961.db2.gz FTRTYEALJREUCE-UHFFFAOYSA-N 1 0 334.420 3.011 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC(F)(F)[C@H](C)C1 ZINC000289788773 276394796 /nfs/dbraw/zinc/39/47/96/276394796.db2.gz MGMVOONJDMCOKD-GFCCVEGCSA-N 1 0 341.358 3.209 20 5 EGBDRO CC(C)c1ccc(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000368933890 278031704 /nfs/dbraw/zinc/03/17/04/278031704.db2.gz RFWRGOGWLHDGQD-CABCVRRESA-N 1 0 331.416 3.075 20 5 EGBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1c1nc2ccccc2cc1[N+](=O)[O-] ZINC000376174055 279088831 /nfs/dbraw/zinc/08/88/31/279088831.db2.gz OPGKXWLPOOJOST-CJNGLKHVSA-N 1 0 326.400 3.206 20 5 EGBDRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000237553689 289790892 /nfs/dbraw/zinc/79/08/92/289790892.db2.gz ZQRCBZFHOABHJJ-SWLSCSKDSA-N 1 0 333.432 3.234 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@@H]1CCC[C@H](C)C1 ZINC000073620187 307387212 /nfs/dbraw/zinc/38/72/12/307387212.db2.gz XCAFXVKPLAUEOP-UONOGXRCSA-N 1 0 349.431 3.443 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@H](CO)c1ccc(F)cc1)CCC2 ZINC000414305859 309071797 /nfs/dbraw/zinc/07/17/97/309071797.db2.gz YVOGIMQFJCISHA-BEFAXECRSA-N 1 0 344.386 3.477 20 5 EGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1nnc(C2CC2)s1 ZINC000414322255 309072789 /nfs/dbraw/zinc/07/27/89/309072789.db2.gz GQRZYABUXPCMKH-LLVKDONJSA-N 1 0 332.429 3.435 20 5 EGBDRO CC(C)[C@H](CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)[NH+]1CCCC1 ZINC000170639455 307932943 /nfs/dbraw/zinc/93/29/43/307932943.db2.gz VSAZNWBMPYMIFO-KRWDZBQOSA-N 1 0 346.431 3.012 20 5 EGBDRO C[C@@H]([NH2+]C1CCN(Cc2cccnc2)CC1)c1ccccc1[N+](=O)[O-] ZINC000414362638 309075410 /nfs/dbraw/zinc/07/54/10/309075410.db2.gz FKQAVPAFVAPEEO-OAHLLOKOSA-N 1 0 340.427 3.305 20 5 EGBDRO Cc1ccc([C@@H](C)[N@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000248372928 308001440 /nfs/dbraw/zinc/00/14/40/308001440.db2.gz DTWCDIJSTSGGTN-NVXWUHKLSA-N 1 0 344.411 3.336 20 5 EGBDRO C[C@@H]([NH2+][C@@H](C)C(=O)N1[C@H](C)CCC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000249744113 308027829 /nfs/dbraw/zinc/02/78/29/308027829.db2.gz BGGYMYARPIVMIL-TUVASFSCSA-N 1 0 333.432 3.423 20 5 EGBDRO CCCCNC(=O)[C@H]1CCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000254975847 308036062 /nfs/dbraw/zinc/03/60/62/308036062.db2.gz VASRVGQDSKBUDJ-SKHCZCESSA-N 1 0 345.443 3.236 20 5 EGBDRO Cc1ccc([C@H](C)NC(=O)C[C@@H](C)[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000262624817 308064864 /nfs/dbraw/zinc/06/48/64/308064864.db2.gz KPJYRASVVROGFW-YCPHGPKFSA-N 1 0 333.432 3.106 20 5 EGBDRO COc1cc(C[NH2+][C@H]2C[C@H](c3ccc(F)cc3)C2)c([N+](=O)[O-])cc1O ZINC000292812624 308068656 /nfs/dbraw/zinc/06/86/56/308068656.db2.gz WLQKNDGYEIAHGA-NNUKFRKNSA-N 1 0 346.358 3.484 20 5 EGBDRO CC(C)(C)OC(=O)NCCC[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292884639 308076290 /nfs/dbraw/zinc/07/62/90/308076290.db2.gz YCTDFTYYWDSBER-UHFFFAOYSA-N 1 0 337.420 3.334 20 5 EGBDRO CCC[C@@H](C)C(=O)NCC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000293032470 308092142 /nfs/dbraw/zinc/09/21/42/308092142.db2.gz AEFAGXXDQFWZDK-DYVFJYSZSA-N 1 0 333.432 3.114 20 5 EGBDRO CCOCC(C)(C)[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000293270837 308115512 /nfs/dbraw/zinc/11/55/12/308115512.db2.gz NMXRPMKCMLBPBV-UHFFFAOYSA-N 1 0 333.388 3.197 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCCc2c(cnn2C)C1 ZINC000414474206 309082648 /nfs/dbraw/zinc/08/26/48/309082648.db2.gz RQMCXEUWCIPIHE-ZROIWOOFSA-N 1 0 326.400 3.180 20 5 EGBDRO COCC[C@H](C)C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000414476545 309083014 /nfs/dbraw/zinc/08/30/14/309083014.db2.gz AUQQHUZNSQGZIV-LBPRGKRZSA-N 1 0 335.429 3.481 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[NH+]1CCC(CO)(c2ccccc2)CC1 ZINC000293475416 308134023 /nfs/dbraw/zinc/13/40/23/308134023.db2.gz XUDZPPQSBJSKEO-UHFFFAOYSA-N 1 0 326.396 3.121 20 5 EGBDRO C[C@@H]([NH2+]Cc1cccc(N2CCOCC2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000293661237 308150604 /nfs/dbraw/zinc/15/06/04/308150604.db2.gz IQWZYPMZMAHWEN-OAHLLOKOSA-N 1 0 341.411 3.282 20 5 EGBDRO CCCOc1ccc(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cn1 ZINC000293659288 308150607 /nfs/dbraw/zinc/15/06/07/308150607.db2.gz JCXKYZTZSSFPTN-LBPRGKRZSA-N 1 0 330.388 3.212 20 5 EGBDRO C[C@H]([NH2+]Cc1cccc(N2CCOCC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000293766885 308160064 /nfs/dbraw/zinc/16/00/64/308160064.db2.gz RUEDFCBGOWRMFC-HNNXBMFYSA-N 1 0 341.411 3.282 20 5 EGBDRO C[C@H]([NH2+]C[C@@H](c1ccsc1)N(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293829041 308165900 /nfs/dbraw/zinc/16/59/00/308165900.db2.gz SHYYQYIPIVNFHW-ZBEGNZNMSA-N 1 0 334.445 3.192 20 5 EGBDRO C[C@@H]1C[C@@H](C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)[C@@H](C)O1 ZINC000414522301 309086293 /nfs/dbraw/zinc/08/62/93/309086293.db2.gz XDEVBJHZWIAMDA-MXWKQRLJSA-N 1 0 330.331 3.099 20 5 EGBDRO COc1ccccc1O[C@H](C)C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294653099 308242378 /nfs/dbraw/zinc/24/23/78/308242378.db2.gz GWJJYXKNIRDVOY-OLZOCXBDSA-N 1 0 345.399 3.304 20 5 EGBDRO CCN(C)C(=O)[C@@H]([NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])C(C)C ZINC000294916675 308271248 /nfs/dbraw/zinc/27/12/48/308271248.db2.gz AOCTVFLONWIAJX-YOEHRIQHSA-N 1 0 335.448 3.008 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC(C)(C)c1ccccn1 ZINC000294925627 308272551 /nfs/dbraw/zinc/27/25/51/308272551.db2.gz ZBCFUHAELOIYLQ-UHFFFAOYSA-N 1 0 329.400 3.456 20 5 EGBDRO COc1cc(C[NH2+]C[C@@H]2CCCCC2(F)F)c([N+](=O)[O-])cc1O ZINC000295141108 308296179 /nfs/dbraw/zinc/29/61/79/308296179.db2.gz PWMYNVVJRHYNAH-NSHDSACASA-N 1 0 330.331 3.224 20 5 EGBDRO Cc1ccccc1[C@H]([NH3+])C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000295189084 308300663 /nfs/dbraw/zinc/30/06/63/308300663.db2.gz NUHITMLRZOMFKX-GUYCJALGSA-N 1 0 327.384 3.089 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](O)CC(C)(C)C1 ZINC000295476215 308330507 /nfs/dbraw/zinc/33/05/07/308330507.db2.gz MHRDBORPAIZEAJ-MRXNPFEDSA-N 1 0 336.432 3.365 20 5 EGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCC(C)(C)CO ZINC000295833375 308364904 /nfs/dbraw/zinc/36/49/04/308364904.db2.gz ABSJNNNIEXQSJQ-CYBMUJFWSA-N 1 0 326.462 3.464 20 5 EGBDRO CC(C)(CCc1nc(-c2cccc(C[NH+]3CCCC3)c2)no1)[N+](=O)[O-] ZINC000297820498 308565893 /nfs/dbraw/zinc/56/58/93/308565893.db2.gz RHPUDUURTYETQI-UHFFFAOYSA-N 1 0 344.415 3.320 20 5 EGBDRO C[NH2+]CCNCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000414821347 309103832 /nfs/dbraw/zinc/10/38/32/309103832.db2.gz DTVDSVNULQKVCZ-UHFFFAOYSA-N 1 0 335.791 3.350 20 5 EGBDRO C[NH2+]C[C@H](C)CNCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000414831688 309104393 /nfs/dbraw/zinc/10/43/93/309104393.db2.gz DKQAPSJEYNRHFC-NSHDSACASA-N 1 0 337.807 3.453 20 5 EGBDRO COc1cc(NCC2([NH+]3CCOCC3)CCCCC2)ccc1[N+](=O)[O-] ZINC000301376998 308698409 /nfs/dbraw/zinc/69/84/09/308698409.db2.gz WOQRAFGEXHZHMA-UHFFFAOYSA-N 1 0 349.431 3.050 20 5 EGBDRO CN(CC1CCN(c2cc[nH+]cc2)CC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000301868836 308719289 /nfs/dbraw/zinc/71/92/89/308719289.db2.gz CFAHLYFWHMAGHU-UHFFFAOYSA-N 1 0 344.390 3.482 20 5 EGBDRO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])c(-c2ccccc2)n1)C1CC1 ZINC000301875915 308719525 /nfs/dbraw/zinc/71/95/25/308719525.db2.gz RWAHPEYZOHYCTP-INIZCTEOSA-N 1 0 326.400 3.409 20 5 EGBDRO O=[N+]([O-])c1ccsc1NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000302035717 308726242 /nfs/dbraw/zinc/72/62/42/308726242.db2.gz UMWLPXLTXJYYBL-UHFFFAOYSA-N 1 0 347.440 3.225 20 5 EGBDRO C[C@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CCC[NH2+]C1 ZINC000414842322 309104996 /nfs/dbraw/zinc/10/49/96/309104996.db2.gz BDMFULMEWBLNFM-ZFWWWQNUSA-N 1 0 329.400 3.333 20 5 EGBDRO C[C@H](NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H]1CCC[NH2+]C1 ZINC000414847625 309105308 /nfs/dbraw/zinc/10/53/08/309105308.db2.gz FWIIMTCMRPHSSV-DZGCQCFKSA-N 1 0 329.400 3.333 20 5 EGBDRO CC[NH+](CC)CC1CCN(C(=O)c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000331312503 308804233 /nfs/dbraw/zinc/80/42/33/308804233.db2.gz ATQBRRLGDFVYJD-UHFFFAOYSA-N 1 0 333.432 3.097 20 5 EGBDRO C[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2F)CC[N@@H+]1Cc1ccccc1 ZINC000413172741 309019695 /nfs/dbraw/zinc/01/96/95/309019695.db2.gz PZCXALIKHKICTC-CQSZACIVSA-N 1 0 344.390 3.230 20 5 EGBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2c2ccc([N+](=O)[O-])c3ncccc23)C1 ZINC000413192383 309020551 /nfs/dbraw/zinc/02/05/51/309020551.db2.gz IQDMLFFQTKNRDW-HIFRSBDPSA-N 1 0 326.400 3.064 20 5 EGBDRO COc1ccc(-c2ccc(CNC3(C)CC[NH2+]CC3)o2)c([N+](=O)[O-])c1 ZINC000414947205 309110706 /nfs/dbraw/zinc/11/07/06/309110706.db2.gz VPSJVNLLHJELBH-UHFFFAOYSA-N 1 0 345.399 3.095 20 5 EGBDRO O=[N+]([O-])c1ccc(CNC[C@H]2[NH2+]CCc3ccccc32)c(Cl)c1 ZINC000414954669 309111230 /nfs/dbraw/zinc/11/12/30/309111230.db2.gz LSHCLFZDEWHRAY-QGZVFWFLSA-N 1 0 331.803 3.225 20 5 EGBDRO [NH3+][C@@H]1Cc2ccccc2N(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000415140496 309123363 /nfs/dbraw/zinc/12/33/63/309123363.db2.gz UCEYXFLHPXGWOU-CYBMUJFWSA-N 1 0 349.337 3.086 20 5 EGBDRO CC[NH2+]CC1CCN(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000415488231 309134857 /nfs/dbraw/zinc/13/48/57/309134857.db2.gz UZJSGEAHBWLBGU-UHFFFAOYSA-N 1 0 334.420 3.065 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000415576810 309137350 /nfs/dbraw/zinc/13/73/50/309137350.db2.gz GRKNWSPBSWQEFH-HDJSIYSDSA-N 1 0 334.420 3.098 20 5 EGBDRO CC[NH2+]Cc1cccc(NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000415911134 309148000 /nfs/dbraw/zinc/14/80/00/309148000.db2.gz XESWVGOHTISYQB-UHFFFAOYSA-N 1 0 342.399 3.368 20 5 EGBDRO CC[NH2+]Cc1cccc(NC(=O)NCCc2ccc([N+](=O)[O-])cc2)c1 ZINC000415932656 309149639 /nfs/dbraw/zinc/14/96/39/309149639.db2.gz MSXIFBJHGRRGGQ-UHFFFAOYSA-N 1 0 342.399 3.069 20 5 EGBDRO C[C@@](O)(C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21)C(F)(F)F ZINC000417313420 309201391 /nfs/dbraw/zinc/20/13/91/309201391.db2.gz VYAQVDBJVPIKPU-UONOGXRCSA-N 1 0 332.322 3.265 20 5 EGBDRO CCn1cccc(C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)c1=O ZINC000417334287 309202129 /nfs/dbraw/zinc/20/21/29/309202129.db2.gz RGRZCFMRISDIEX-GOSISDBHSA-N 1 0 341.411 3.334 20 5 EGBDRO CC(=O)N1CCC[C@H](C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000417334338 309202177 /nfs/dbraw/zinc/20/21/77/309202177.db2.gz RIHRVJCYPUZFLL-BEFAXECRSA-N 1 0 345.443 3.210 20 5 EGBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000418628482 309251284 /nfs/dbraw/zinc/25/12/84/309251284.db2.gz VNMZCCJOQJLHDM-KRWDZBQOSA-N 1 0 348.447 3.032 20 5 EGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000420385250 309285746 /nfs/dbraw/zinc/28/57/46/309285746.db2.gz HGRAHIVISZEHOP-AFAVFJNCSA-N 1 0 329.375 3.222 20 5 EGBDRO C[C@H]1C[C@H](CO)C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000421369127 309321020 /nfs/dbraw/zinc/32/10/20/309321020.db2.gz XWBCWKDRARUVFU-KBPBESRZSA-N 1 0 330.384 3.305 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCCC[NH+]1CCCCCC1 ZINC000421740495 309337802 /nfs/dbraw/zinc/33/78/02/309337802.db2.gz JRHDEHBCGMDXOK-UHFFFAOYSA-N 1 0 333.432 3.208 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCc2cccnc2CC1 ZINC000421822979 309341631 /nfs/dbraw/zinc/34/16/31/309341631.db2.gz BXRXDAYCBLRPIN-HNNXBMFYSA-N 1 0 327.384 3.036 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000422876553 309373425 /nfs/dbraw/zinc/37/34/25/309373425.db2.gz QJAYANCCNRYVJR-UHFFFAOYSA-N 1 0 345.443 3.124 20 5 EGBDRO CC(C)c1ccc(C(=O)N2CCC([NH2+]CC3CC3)CC2)cc1[N+](=O)[O-] ZINC000422881281 309373573 /nfs/dbraw/zinc/37/35/73/309373573.db2.gz YPYATHRJMWYEKY-UHFFFAOYSA-N 1 0 345.443 3.322 20 5 EGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CN)CC(C)C ZINC000423257851 309392707 /nfs/dbraw/zinc/39/27/07/309392707.db2.gz AIPQDTPDFDRUKU-UONOGXRCSA-N 1 0 325.478 3.429 20 5 EGBDRO CCc1ccc([C@H](NC[C@H]([NH3+])C(C)C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000423265872 309393236 /nfs/dbraw/zinc/39/32/36/309393236.db2.gz DEATYUWIVPRJSH-FUHWJXTLSA-N 1 0 331.416 3.413 20 5 EGBDRO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000423718579 309410682 /nfs/dbraw/zinc/41/06/82/309410682.db2.gz CWNBJJSBNCBREI-MQVJKMGUSA-N 1 0 343.427 3.007 20 5 EGBDRO CCOc1ccc(-c2nc(C3([NH3+])CCCCC3)no2)cc1[N+](=O)[O-] ZINC000424347318 309439951 /nfs/dbraw/zinc/43/99/51/309439951.db2.gz QUIPJLCBTIGEMV-UHFFFAOYSA-N 1 0 332.360 3.162 20 5 EGBDRO O=C(C[C@H]1CCC[NH2+]1)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000430385977 309607036 /nfs/dbraw/zinc/60/70/36/309607036.db2.gz OVSQXOHJZBOECA-CYBMUJFWSA-N 1 0 341.367 3.468 20 5 EGBDRO C[C@H]([NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)[C@H](C)N1CCOCC1 ZINC000433173155 309680818 /nfs/dbraw/zinc/68/08/18/309680818.db2.gz JKQXIUQKTVFYMS-SUNYJGFJSA-N 1 0 347.459 3.016 20 5 EGBDRO CC1(C)C[C@H]([NH2+][C@H]2CCc3n[nH]cc3C2)c2cc([N+](=O)[O-])ccc21 ZINC000433222104 309682671 /nfs/dbraw/zinc/68/26/71/309682671.db2.gz SZIABIDOVBDAGZ-SJCJKPOMSA-N 1 0 326.400 3.187 20 5 EGBDRO CC1CCC(O)(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000438820098 309820418 /nfs/dbraw/zinc/82/04/18/309820418.db2.gz OYJICLMURVWLJN-UHFFFAOYSA-N 1 0 348.443 3.379 20 5 EGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC(C)(C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000449068407 310034328 /nfs/dbraw/zinc/03/43/28/310034328.db2.gz BKMWRGGABBYJPV-OAGGEKHMSA-N 1 0 349.475 3.003 20 5 EGBDRO CCNC(=O)c1ccc(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000449080835 310035447 /nfs/dbraw/zinc/03/54/47/310035447.db2.gz ZOHCDRQXYLKJQD-AWEZNQCLSA-N 1 0 341.411 3.065 20 5 EGBDRO COC[C@@H](Cc1ccccc1)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449171423 310042095 /nfs/dbraw/zinc/04/20/95/310042095.db2.gz ADOLOQVGLHZSMR-CRAIPNDOSA-N 1 0 328.412 3.373 20 5 EGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](c1cccs1)N(C)C ZINC000449218815 310045426 /nfs/dbraw/zinc/04/54/26/310045426.db2.gz KZZHNPUCUSCROB-BBRMVZONSA-N 1 0 333.457 3.480 20 5 EGBDRO C[NH2+][C@@H](CC(C)(C)C)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000449246455 310047494 /nfs/dbraw/zinc/04/74/94/310047494.db2.gz DGKGBYQXYHPCFL-INIZCTEOSA-N 1 0 335.448 3.356 20 5 EGBDRO Cc1ccc(C[C@@H](CO)[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000449269727 310048973 /nfs/dbraw/zinc/04/89/73/310048973.db2.gz OAISXTYFCCCRDR-YJBOKZPZSA-N 1 0 328.412 3.027 20 5 EGBDRO Cc1ccccc1C[C@@H](CO)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449271847 310049160 /nfs/dbraw/zinc/04/91/60/310049160.db2.gz UWOHYEBDNITKGU-QAPCUYQASA-N 1 0 328.412 3.027 20 5 EGBDRO CC(C)n1ncc2c1C[C@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])CC2 ZINC000449279885 310049631 /nfs/dbraw/zinc/04/96/31/310049631.db2.gz UIBGLAKCSIUBIV-WMLDXEAASA-N 1 0 342.443 3.450 20 5 EGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@]1(CO)C[C@@H]1c1ccccc1 ZINC000449338780 310054693 /nfs/dbraw/zinc/05/46/93/310054693.db2.gz SPJJZRIFWVTSMH-ZTNFWEORSA-N 1 0 340.423 3.282 20 5 EGBDRO CC(C)(C)c1ccc(C(=O)N[C@H]2CC[NH2+]CC2(C)C)cc1[N+](=O)[O-] ZINC000449695332 310081377 /nfs/dbraw/zinc/08/13/77/310081377.db2.gz IJVVQPYADYNULX-HNNXBMFYSA-N 1 0 333.432 3.010 20 5 EGBDRO CCO[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000449758892 310084983 /nfs/dbraw/zinc/08/49/83/310084983.db2.gz HQYIUKUJWHICJP-IAOVAPTHSA-N 1 0 349.431 3.249 20 5 EGBDRO O=[N+]([O-])c1cccc2c1ccnc2N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000450348187 310117057 /nfs/dbraw/zinc/11/70/57/310117057.db2.gz REKUKNGNHJYSJY-CQSZACIVSA-N 1 0 326.400 3.065 20 5 EGBDRO Cc1nc(NC2CCC([NH+]3CCC(C)CC3)CC2)ncc1[N+](=O)[O-] ZINC000450407062 310120597 /nfs/dbraw/zinc/12/05/97/310120597.db2.gz QPOSPZORXYWCPI-UHFFFAOYSA-N 1 0 333.436 3.148 20 5 EGBDRO CCn1ccnc1[C@@H](C)Nc1cc(C)c([N+](=O)[O-])cc1C(=O)OC ZINC000450822369 310144305 /nfs/dbraw/zinc/14/43/05/310144305.db2.gz BBNLKCXEDYCCDX-LLVKDONJSA-N 1 0 332.360 3.079 20 5 EGBDRO CC1(C)[C@H]([NH2+]Cc2c(F)cc([N+](=O)[O-])cc2F)[C@H]2CCCO[C@@H]21 ZINC000451474273 310179986 /nfs/dbraw/zinc/17/99/86/310179986.db2.gz AJVGHNPHLIJQJR-KMUNFCNLSA-N 1 0 326.343 3.166 20 5 EGBDRO C[C@H](C(=O)NC1CCCC1)[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451547651 310184960 /nfs/dbraw/zinc/18/49/60/310184960.db2.gz LIUUQRYSQYDGBS-ZBFHGGJFSA-N 1 0 345.443 3.222 20 5 EGBDRO COC(=O)CC1(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000451551704 310185608 /nfs/dbraw/zinc/18/56/08/310185608.db2.gz URCQQIZUBAYMJC-HNNXBMFYSA-N 1 0 332.400 3.118 20 5 EGBDRO CC(C)[C@@H](CO)[C@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)C(C)C ZINC000451602366 310188870 /nfs/dbraw/zinc/18/88/70/310188870.db2.gz VJSMTOVYYUBMSB-CZUORRHYSA-N 1 0 330.375 3.252 20 5 EGBDRO COc1ccc2c(c1)OC[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C2 ZINC000453222189 310264859 /nfs/dbraw/zinc/26/48/59/310264859.db2.gz KOIVCYZAORAFMJ-SWLSCSKDSA-N 1 0 328.368 3.258 20 5 EGBDRO CNC(=O)C[C@@H](C)[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000453376066 310273697 /nfs/dbraw/zinc/27/36/97/310273697.db2.gz PIMRFCIBSNDYOC-NEPJUHHUSA-N 1 0 347.440 3.499 20 5 EGBDRO CC1(C)C[C@@H](C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CCO1 ZINC000453581452 310282769 /nfs/dbraw/zinc/28/27/69/310282769.db2.gz MKYXKZPDYORUPB-NSHDSACASA-N 1 0 344.358 3.491 20 5 EGBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000454656586 310322470 /nfs/dbraw/zinc/32/24/70/310322470.db2.gz ZOJWASAJZUIUNG-ILXRZTDVSA-N 1 0 348.447 3.075 20 5 EGBDRO CC[C@@H](C)[NH+]1CCN(C(=O)[C@@H](CC)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000456538914 310411146 /nfs/dbraw/zinc/41/11/46/310411146.db2.gz XYDQPUKAQVZFKP-WBVHZDCISA-N 1 0 347.459 3.106 20 5 EGBDRO C[NH+](C)CCN(Cc1ccsc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000459507042 310557207 /nfs/dbraw/zinc/55/72/07/310557207.db2.gz KJBSTDBMKUIRSG-UHFFFAOYSA-N 1 0 348.428 3.252 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cccnc1-n1cccn1 ZINC000468626835 310691338 /nfs/dbraw/zinc/69/13/38/310691338.db2.gz JSYGJJOCVIILHV-PTNGSMBKSA-N 1 0 349.394 3.369 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC(=O)Nc1ccc(F)cc1 ZINC000468648429 310691639 /nfs/dbraw/zinc/69/16/39/310691639.db2.gz LAUAGZIFJRIZLN-UKTHLTGXSA-N 1 0 343.358 3.366 20 5 EGBDRO CCOC(=O)C1CC[NH+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000470174326 310719035 /nfs/dbraw/zinc/71/90/35/310719035.db2.gz JYFVEULVAQSIHH-SDNWHVSQSA-N 1 0 332.400 3.273 20 5 EGBDRO CCCN(CCC[NH+](C)C)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000470666107 310725234 /nfs/dbraw/zinc/72/52/34/310725234.db2.gz FLKYOIGPLXFCRU-UHFFFAOYSA-N 1 0 335.448 3.063 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]CCOC(F)(F)F ZINC000474029992 310783813 /nfs/dbraw/zinc/78/38/13/310783813.db2.gz JBXDHWHHHKFQLN-WCQYABFASA-N 1 0 332.322 3.432 20 5 EGBDRO CCOC1CC(CC[NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000474057429 310784523 /nfs/dbraw/zinc/78/45/23/310784523.db2.gz KNJVGXDYOADZBP-TUBUQKNSSA-N 1 0 349.431 3.107 20 5 EGBDRO CCOc1cc(N2CC[NH+]([C@H]3C=CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000481786354 310921575 /nfs/dbraw/zinc/92/15/75/310921575.db2.gz UQTPWMOMNRGJBK-HNNXBMFYSA-N 1 0 331.416 3.224 20 5 EGBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CCN(CCC(F)(F)F)CC1 ZINC000489063869 311091421 /nfs/dbraw/zinc/09/14/21/311091421.db2.gz AYCGCPOOLOWDRS-UHFFFAOYSA-N 1 0 345.365 3.443 20 5 EGBDRO CCC(CC)(C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)OC ZINC000492256000 311230754 /nfs/dbraw/zinc/23/07/54/311230754.db2.gz FQWKDLDWHGLNGR-UHFFFAOYSA-N 1 0 332.347 3.491 20 5 EGBDRO C[NH+](C)CCCC1CCN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000492294561 311234968 /nfs/dbraw/zinc/23/49/68/311234968.db2.gz JDDIIHQNJBHVAY-HJWRWDBZSA-N 1 0 345.443 3.188 20 5 EGBDRO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C[C@H]1COc2ccccc2O1 ZINC000506767301 312054218 /nfs/dbraw/zinc/05/42/18/312054218.db2.gz MKBZKKIOQQTIFL-BVBGJJFLSA-N 1 0 340.379 3.380 20 5 EGBDRO CCN(CCC[NH+](CC)CC)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000508209163 312090737 /nfs/dbraw/zinc/09/07/37/312090737.db2.gz AFDRUFZIMBNMAO-UHFFFAOYSA-N 1 0 349.475 3.453 20 5 EGBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](C)c1ccncc1F ZINC000510977189 312152218 /nfs/dbraw/zinc/15/22/18/312152218.db2.gz PDXMXBPCZZTWKH-RYUDHWBXSA-N 1 0 346.362 3.197 20 5 EGBDRO Cc1cn2c(n1)[C@@H](C[NH2+][C@@H]1CCc3c1cccc3[N+](=O)[O-])CCC2 ZINC000515433169 312283027 /nfs/dbraw/zinc/28/30/27/312283027.db2.gz QAZYTJJVWUPYKK-CZUORRHYSA-N 1 0 326.400 3.254 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H](O)Cc1cccc(F)c1 ZINC000515599113 312290410 /nfs/dbraw/zinc/29/04/10/312290410.db2.gz HLAORYHNNXDKHD-DYVFJYSZSA-N 1 0 332.375 3.297 20 5 EGBDRO CCCC[N@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000516514687 312326500 /nfs/dbraw/zinc/32/65/00/312326500.db2.gz DPMTZOJREFPWKS-UHFFFAOYSA-N 1 0 348.184 3.431 20 5 EGBDRO O=[N+]([O-])c1cccc(N2CC[NH+](C[C@@H]3CCC4(CCCC4)O3)CC2)c1 ZINC000530524767 313550451 /nfs/dbraw/zinc/55/04/51/313550451.db2.gz PVMFLDBZSXAPLE-SFHVURJKSA-N 1 0 345.443 3.209 20 5 EGBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000532698778 313831826 /nfs/dbraw/zinc/83/18/26/313831826.db2.gz JWGRDQQTIZYUQL-MDZRGWNJSA-N 1 0 331.460 3.475 20 5 EGBDRO CCOc1cc(N2CC[C@H](C[N@H+](C)CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000536621455 314132082 /nfs/dbraw/zinc/13/20/82/314132082.db2.gz MNEDUDCOACYLCN-OAHLLOKOSA-N 1 0 333.432 3.162 20 5 EGBDRO CC[N@H+](CCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1)CC1CC1 ZINC000537822303 314211832 /nfs/dbraw/zinc/21/18/32/314211832.db2.gz DMPLKAZZNKXUGE-UHFFFAOYSA-N 1 0 332.448 3.328 20 5 EGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1nnc(C)s1 ZINC000540953451 314423601 /nfs/dbraw/zinc/42/36/01/314423601.db2.gz DQVRIZCNPMXIME-NSHDSACASA-N 1 0 338.458 3.415 20 5 EGBDRO CCC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000548488590 315016805 /nfs/dbraw/zinc/01/68/05/315016805.db2.gz RJJXMDDEVZRTLE-RHSMWYFYSA-N 1 0 345.443 3.432 20 5 EGBDRO O=C(CC[NH2+]Cc1cc2ccccc2o1)Nc1ccccc1[N+](=O)[O-] ZINC000548761571 315044332 /nfs/dbraw/zinc/04/43/32/315044332.db2.gz RPILGWWCYDUSOH-UHFFFAOYSA-N 1 0 339.351 3.459 20 5 EGBDRO C[C@@H]1CN(c2ccc(Nc3c(F)cccc3[N+](=O)[O-])cn2)C[C@@H](C)O1 ZINC000553299625 315256098 /nfs/dbraw/zinc/25/60/98/315256098.db2.gz NCAVYEDVAOHDCZ-VXGBXAGGSA-N 1 0 346.362 3.486 20 5 EGBDRO CC1(C)CC[N@H+](CC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000563408833 316016372 /nfs/dbraw/zinc/01/63/72/316016372.db2.gz NJNDZSYTFJZULU-MRXNPFEDSA-N 1 0 345.443 3.033 20 5 EGBDRO COc1ccc(OC)c(CC[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000565218425 316292802 /nfs/dbraw/zinc/29/28/02/316292802.db2.gz QNADYXGSNSMSCC-QGZVFWFLSA-N 1 0 342.395 3.432 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000565510910 316332964 /nfs/dbraw/zinc/33/29/64/316332964.db2.gz KFTIOKSLCNCBRC-KGLIPLIRSA-N 1 0 348.447 3.399 20 5 EGBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1cc(Cl)ccc1Cl ZINC000154825669 454932629 /nfs/dbraw/zinc/93/26/29/454932629.db2.gz IEBMEFBVBUABMQ-SECBINFHSA-N 1 0 329.187 3.449 20 5 EGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000571655934 317230232 /nfs/dbraw/zinc/23/02/32/317230232.db2.gz WUHSRODBGHVUPB-HNNXBMFYSA-N 1 0 326.352 3.143 20 5 EGBDRO C[C@H]([NH2+][C@H]1C[C@H](C)N(c2ccccc2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000178659510 323359407 /nfs/dbraw/zinc/35/94/07/323359407.db2.gz HBLINGFAPCDROC-DEYYWGMASA-N 1 0 339.395 3.439 20 5 EGBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000192563475 323819131 /nfs/dbraw/zinc/81/91/31/323819131.db2.gz GGSLCKSDMKOCHK-MRXNPFEDSA-N 1 0 349.479 3.212 20 5 EGBDRO CCc1ccc(CC[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000576979574 324719027 /nfs/dbraw/zinc/71/90/27/324719027.db2.gz GRUHIDSSOLOXOF-UHFFFAOYSA-N 1 0 341.411 3.318 20 5 EGBDRO Cn1ccnc1[C@H]([NH2+]CC1CC(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000578747539 325012803 /nfs/dbraw/zinc/01/28/03/325012803.db2.gz FITLZMDBBCBJCO-MRXNPFEDSA-N 1 0 328.416 3.444 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](N[C@@H]2CCN(C3CC3)C2)C(F)(F)F)cc1 ZINC000580439973 325251222 /nfs/dbraw/zinc/25/12/22/325251222.db2.gz ZFIQAEXXUCYQSU-RISCZKNCSA-N 1 0 329.322 3.025 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](N[C@@H]2CCN(C3CC3)C2)C(F)(F)F)cc1 ZINC000580439971 325251257 /nfs/dbraw/zinc/25/12/57/325251257.db2.gz ZFIQAEXXUCYQSU-BXUZGUMPSA-N 1 0 329.322 3.025 20 5 EGBDRO C[C@H](C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000581106306 325329825 /nfs/dbraw/zinc/32/98/25/325329825.db2.gz YIBOLDSYBBMEAZ-GJZGRUSLSA-N 1 0 347.459 3.325 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](NCCC[NH+]2CCCC2)C(F)(F)F)cc1 ZINC000582729911 325465475 /nfs/dbraw/zinc/46/54/75/325465475.db2.gz OPPVPIJWDUZGRC-AWEZNQCLSA-N 1 0 331.338 3.274 20 5 EGBDRO C[C@H](C(=O)N(CC[NH+](C)C)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000582882123 325476895 /nfs/dbraw/zinc/47/68/95/325476895.db2.gz NRUCRMOFCLXTDF-HNNXBMFYSA-N 1 0 341.411 3.293 20 5 EGBDRO C[C@H]1C[C@H]1c1ccc(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])o1 ZINC000583494951 325528969 /nfs/dbraw/zinc/52/89/69/325528969.db2.gz LLIQILKOJRASQL-GXTWGEPZSA-N 1 0 343.383 3.430 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@H]3CCCOC3)cs2)c1 ZINC000237996464 455242471 /nfs/dbraw/zinc/24/24/71/455242471.db2.gz FFXMUHWLTUNRJT-GFCCVEGCSA-N 1 0 333.413 3.235 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](Cc1ccccc1)[C@@H](C)CCO ZINC000180974082 455272239 /nfs/dbraw/zinc/27/22/39/455272239.db2.gz XJLPFOLHGQMLIR-HNNXBMFYSA-N 1 0 344.411 3.377 20 5 EGBDRO O=C(c1ccccc1)c1ccc(NCC[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000007187813 453040980 /nfs/dbraw/zinc/04/09/80/453040980.db2.gz IZIMJJBHSDASFH-UHFFFAOYSA-N 1 0 339.395 3.334 20 5 EGBDRO C[N@H+](Cc1ccc(C(=O)NC2CC2)cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000026154424 453793260 /nfs/dbraw/zinc/79/32/60/453793260.db2.gz UUUAYRLHXPOXLG-UHFFFAOYSA-N 1 0 339.395 3.119 20 5 EGBDRO O=[N+]([O-])c1c(NC[C@H](c2ccco2)[NH+]2CCCC2)nc2sccn21 ZINC000029847913 453832054 /nfs/dbraw/zinc/83/20/54/453832054.db2.gz CWAQIIKJXDRHDY-LLVKDONJSA-N 1 0 347.400 3.146 20 5 EGBDRO CCC1CC[NH+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000053377992 453875025 /nfs/dbraw/zinc/87/50/25/453875025.db2.gz NBRFXPHPOFLBJQ-UHFFFAOYSA-N 1 0 335.404 3.054 20 5 EGBDRO C[C@@H](C[N@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000066853955 453881272 /nfs/dbraw/zinc/88/12/72/453881272.db2.gz UMANRZOPZAOFSL-HNNXBMFYSA-N 1 0 341.411 3.293 20 5 EGBDRO O=C(CC1CCCC1)NC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000066876498 453882839 /nfs/dbraw/zinc/88/28/39/453882839.db2.gz NVESHPWCJCVHBX-UHFFFAOYSA-N 1 0 345.443 3.256 20 5 EGBDRO CC[NH+](CC)[C@@H](CNc1ccc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000032814785 453891811 /nfs/dbraw/zinc/89/18/11/453891811.db2.gz LADAKCGNDNOPPN-QGZVFWFLSA-N 1 0 328.416 3.355 20 5 EGBDRO C[NH+](C)C1(CNC(=O)c2ccc([N+](=O)[O-])cc2F)CCCCCC1 ZINC000054203315 453916512 /nfs/dbraw/zinc/91/65/12/453916512.db2.gz HVQLJAPUENYFRE-UHFFFAOYSA-N 1 0 337.395 3.118 20 5 EGBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000075986281 453945671 /nfs/dbraw/zinc/94/56/71/453945671.db2.gz WEIDJTUSZVVHJQ-LLVKDONJSA-N 1 0 340.811 3.244 20 5 EGBDRO CC(C)CCO[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000083252192 453947422 /nfs/dbraw/zinc/94/74/22/453947422.db2.gz BZTGBBNJHSCKNB-OAHLLOKOSA-N 1 0 349.431 3.060 20 5 EGBDRO CC(C)[N@@H+]1CC[C@@H](CNc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000040624124 453952711 /nfs/dbraw/zinc/95/27/11/453952711.db2.gz ZDOAEBRRISHHGL-NSHDSACASA-N 1 0 342.237 3.500 20 5 EGBDRO CC[C@H]1CCCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000041873530 453982791 /nfs/dbraw/zinc/98/27/91/453982791.db2.gz ZZOOKYNMRASKSE-ZDUSSCGKSA-N 1 0 335.404 3.197 20 5 EGBDRO Cc1ccsc1C[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000041894065 453983417 /nfs/dbraw/zinc/98/34/17/453983417.db2.gz TWGCWHCFZBVSRT-UHFFFAOYSA-N 1 0 333.413 3.425 20 5 EGBDRO COc1ccccc1[C@H](CNc1ccc([N+](=O)[O-])cc1F)[NH+](C)C ZINC000042096676 453993655 /nfs/dbraw/zinc/99/36/55/453993655.db2.gz WDXHEABCXUEYTR-INIZCTEOSA-N 1 0 333.363 3.457 20 5 EGBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNc2c([N+](=O)[O-])ncn2C)cc1 ZINC000076772005 454035033 /nfs/dbraw/zinc/03/50/33/454035033.db2.gz WCGNSDMJIRHTDX-CQSZACIVSA-N 1 0 343.431 3.315 20 5 EGBDRO Cc1ccc(NC(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000056520162 454064205 /nfs/dbraw/zinc/06/42/05/454064205.db2.gz XPQLBYOWDUCOBS-GXTWGEPZSA-N 1 0 334.420 3.145 20 5 EGBDRO COc1ccc(NC(=O)[C@@H](C)[N@H+](C)CC2CCCC2)c([N+](=O)[O-])c1 ZINC000069227678 454088168 /nfs/dbraw/zinc/08/81/68/454088168.db2.gz IYQWINDVRPCYHL-GFCCVEGCSA-N 1 0 335.404 3.052 20 5 EGBDRO C[NH+](C)Cc1ccc(NC(=O)CCNc2ccccc2[N+](=O)[O-])cc1 ZINC000045069579 454136763 /nfs/dbraw/zinc/13/67/63/454136763.db2.gz QYECZKCMDIWTDB-UHFFFAOYSA-N 1 0 342.399 3.097 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1C ZINC000078270567 454220806 /nfs/dbraw/zinc/22/08/06/454220806.db2.gz WFTMMXSXTRUISO-SGMGOOAPSA-N 1 0 335.404 3.099 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(NC(N)=O)cc2)cc1[N+](=O)[O-] ZINC000130907306 454225416 /nfs/dbraw/zinc/22/54/16/454225416.db2.gz VXEHRZKDNXHIEW-GFCCVEGCSA-N 1 0 328.372 3.245 20 5 EGBDRO CC[NH+]1CCN(c2ccc(Nc3ccc([N+](=O)[O-])cn3)c(C)c2)CC1 ZINC000071826602 454226176 /nfs/dbraw/zinc/22/61/76/454226176.db2.gz ALAMMYKDVOAGED-UHFFFAOYSA-N 1 0 341.415 3.184 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000119917094 454235642 /nfs/dbraw/zinc/23/56/42/454235642.db2.gz BLGQPBMDCMWURF-XHSDSOJGSA-N 1 0 335.448 3.053 20 5 EGBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000095978646 454248247 /nfs/dbraw/zinc/24/82/47/454248247.db2.gz UNTSCMIUHQHUDN-HUUCEWRRSA-N 1 0 349.456 3.063 20 5 EGBDRO CCC[C@H]([NH2+][C@H](C)CCN1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000090046594 454265508 /nfs/dbraw/zinc/26/55/08/454265508.db2.gz XAPWDUINJQZYSZ-QAPCUYQASA-N 1 0 335.448 3.136 20 5 EGBDRO Cc1nccn1CCCN(C)c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000120218460 454273603 /nfs/dbraw/zinc/27/36/03/454273603.db2.gz KCQFDNOBDHHKDI-UHFFFAOYSA-N 1 0 340.330 3.228 20 5 EGBDRO CN(C(=O)OC(C)(C)C)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000078559974 454275770 /nfs/dbraw/zinc/27/57/70/454275770.db2.gz ACXWABMUTWXDDX-UHFFFAOYSA-N 1 0 349.431 3.426 20 5 EGBDRO COC(=O)CC(C)(C)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000072294900 454288992 /nfs/dbraw/zinc/28/89/92/454288992.db2.gz MXTZVRFUQNRDCO-UHFFFAOYSA-N 1 0 332.356 3.286 20 5 EGBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CC(=O)N(C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000090177971 454289257 /nfs/dbraw/zinc/28/92/57/454289257.db2.gz CGXKRSSOLJNMQN-TZMCWYRMSA-N 1 0 349.431 3.044 20 5 EGBDRO Cc1cnc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)c([N+](=O)[O-])c1 ZINC000078659167 454293541 /nfs/dbraw/zinc/29/35/41/454293541.db2.gz PZAIURAUFROGQM-MRXNPFEDSA-N 1 0 332.448 3.391 20 5 EGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCCN(c2nccs2)CC1 ZINC000072582001 454313934 /nfs/dbraw/zinc/31/39/34/454313934.db2.gz DFVLOYIFNIZHPB-ZDUSSCGKSA-N 1 0 332.429 3.325 20 5 EGBDRO Cc1c(C(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000047038658 454323174 /nfs/dbraw/zinc/32/31/74/454323174.db2.gz XZJPFIKVIQHFJZ-GJZGRUSLSA-N 1 0 347.459 3.391 20 5 EGBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000047039520 454323372 /nfs/dbraw/zinc/32/33/72/454323372.db2.gz XXMWAYBONLOJTP-HUUCEWRRSA-N 1 0 333.432 3.083 20 5 EGBDRO Cc1cccc(C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000047187951 454337936 /nfs/dbraw/zinc/33/79/36/454337936.db2.gz HQCXTJYBGOOUCV-AWEZNQCLSA-N 1 0 333.432 3.145 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1C[C@H](C)S[C@@H](C)C1 ZINC000072769260 454338175 /nfs/dbraw/zinc/33/81/75/454338175.db2.gz ZBRCUILEQBXOHK-STQMWFEESA-N 1 0 337.445 3.058 20 5 EGBDRO O=[N+]([O-])c1cccc(CC[NH2+]C2CCN(c3ccccc3)CC2)c1 ZINC000090910143 454349532 /nfs/dbraw/zinc/34/95/32/454349532.db2.gz OGRGCQZEAJQVRF-UHFFFAOYSA-N 1 0 325.412 3.396 20 5 EGBDRO O=C(CC[N@@H+]1CCc2ccc(F)cc2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000134002910 454491951 /nfs/dbraw/zinc/49/19/51/454491951.db2.gz HCBTYRLJKJUMPH-UHFFFAOYSA-N 1 0 343.358 3.121 20 5 EGBDRO Cn1c(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)nc2cc(Cl)ccc21 ZINC000122007693 454503519 /nfs/dbraw/zinc/50/35/19/454503519.db2.gz OMYPUDBYCYSKBE-UHFFFAOYSA-N 1 0 344.802 3.467 20 5 EGBDRO CCc1cc(NCC[NH+](CC)CC)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000064904402 454514489 /nfs/dbraw/zinc/51/44/89/454514489.db2.gz VEQPDVYKFVJSTG-UHFFFAOYSA-N 1 0 343.431 3.368 20 5 EGBDRO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000134627596 454570828 /nfs/dbraw/zinc/57/08/28/454570828.db2.gz ZWEJPMJTNGYBCO-DZGCQCFKSA-N 1 0 349.431 3.472 20 5 EGBDRO C[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(NC(N)=O)cc1 ZINC000123009685 454591864 /nfs/dbraw/zinc/59/18/64/454591864.db2.gz SAIMTKAIMAITFH-RYUDHWBXSA-N 1 0 328.372 3.497 20 5 EGBDRO CC(C)[N@@H+]1CCCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000092649621 454600494 /nfs/dbraw/zinc/60/04/94/454600494.db2.gz KIGBMMFYLCDJKA-UHFFFAOYSA-N 1 0 329.347 3.117 20 5 EGBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000092654415 454601919 /nfs/dbraw/zinc/60/19/19/454601919.db2.gz FRFGECMJERKMET-JKSUJKDBSA-N 1 0 332.448 3.389 20 5 EGBDRO CC[NH+](CC)CCCCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134931070 454610575 /nfs/dbraw/zinc/61/05/75/454610575.db2.gz WIENNPKOBVAQTN-UHFFFAOYSA-N 1 0 327.812 3.100 20 5 EGBDRO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H](CO)C2)ccc1Oc1ccc(F)cc1 ZINC000092764318 454627306 /nfs/dbraw/zinc/62/73/06/454627306.db2.gz XDNNAKAXZYCATH-CQSZACIVSA-N 1 0 346.358 3.340 20 5 EGBDRO CC(C)[NH2+]C1CCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000105349962 454636018 /nfs/dbraw/zinc/63/60/18/454636018.db2.gz CFIRDZVZTADMGK-UHFFFAOYSA-N 1 0 340.811 3.243 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000080961340 454658794 /nfs/dbraw/zinc/65/87/94/454658794.db2.gz BERUQNLXTMKSIX-CQSZACIVSA-N 1 0 344.415 3.485 20 5 EGBDRO CSC[C@H]1CCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000135483179 454682818 /nfs/dbraw/zinc/68/28/18/454682818.db2.gz XHBHAZUROAZWFB-CQSZACIVSA-N 1 0 337.445 3.059 20 5 EGBDRO C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc(Cl)cc1Cl ZINC000176193894 454709124 /nfs/dbraw/zinc/70/91/24/454709124.db2.gz VPXBHXYMURCRKM-VIFPVBQESA-N 1 0 329.187 3.449 20 5 EGBDRO C[C@H]1C[C@H]1c1ccc(C[N@H+](CCn2ccc([N+](=O)[O-])n2)C2CC2)o1 ZINC000176208140 454712666 /nfs/dbraw/zinc/71/26/66/454712666.db2.gz HJRWFCRICXYDQA-SWLSCSKDSA-N 1 0 330.388 3.172 20 5 EGBDRO CC(C)([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])C(=O)NCC1CCCC1 ZINC000136026985 454715753 /nfs/dbraw/zinc/71/57/53/454715753.db2.gz NNDMWBYXVDTBJB-YRNVUSSQSA-N 1 0 345.443 3.283 20 5 EGBDRO CC[NH+](CC)[C@H](CNC(=O)c1cc(C)cc([N+](=O)[O-])c1)c1ccco1 ZINC000124401768 454728977 /nfs/dbraw/zinc/72/89/77/454728977.db2.gz QUELKSOWLRYXKG-MRXNPFEDSA-N 1 0 345.399 3.309 20 5 EGBDRO COCc1cc([N+](=O)[O-])ccc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000161888392 454733432 /nfs/dbraw/zinc/73/34/32/454733432.db2.gz BZMXISKDCJYWLX-AUUYWEPGSA-N 1 0 345.443 3.194 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(NCc2ccc(OCCC[NH+](C)C)cc2)n1 ZINC000124464206 454736671 /nfs/dbraw/zinc/73/66/71/454736671.db2.gz FGHXZPNRNKETIE-UHFFFAOYSA-N 1 0 344.415 3.241 20 5 EGBDRO COc1ccc([C@H]2CCC[N@@H+]2C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000136891281 454760371 /nfs/dbraw/zinc/76/03/71/454760371.db2.gz MKLSXQTYRQTNBM-MOPGFXCFSA-N 1 0 342.395 3.474 20 5 EGBDRO CCC[N@@H+]1CC[C@H](CN[C@@H](C)c2ccc(OCC)c([N+](=O)[O-])c2)C1 ZINC000153145302 454764186 /nfs/dbraw/zinc/76/41/86/454764186.db2.gz HCDLFQKOVVCOES-LSDHHAIUSA-N 1 0 335.448 3.376 20 5 EGBDRO CC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000163265048 454834912 /nfs/dbraw/zinc/83/49/12/454834912.db2.gz WMLFDWCGANZDCS-OCCSQVGLSA-N 1 0 335.404 3.100 20 5 EGBDRO CC(C)(C)OC(=O)CC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000163550166 454854195 /nfs/dbraw/zinc/85/41/95/454854195.db2.gz LCFVIZKBWASSRO-OAHLLOKOSA-N 1 0 334.416 3.237 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000191392886 455483206 /nfs/dbraw/zinc/48/32/06/455483206.db2.gz QVYOUGFVLLPTSH-AWEZNQCLSA-N 1 0 334.420 3.208 20 5 EGBDRO C[C@H]1C[C@H](N(C)c2ncccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000150875389 454906244 /nfs/dbraw/zinc/90/62/44/454906244.db2.gz JEGNWJXQZKLCSR-DOTOQJQBSA-N 1 0 340.427 3.479 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cncc(Br)c2)cc1 ZINC000166879169 454916839 /nfs/dbraw/zinc/91/68/39/454916839.db2.gz UWRWFGCQUXLTRH-UHFFFAOYSA-N 1 0 336.189 3.085 20 5 EGBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000113520624 454927900 /nfs/dbraw/zinc/92/79/00/454927900.db2.gz SIKHEYCHCABKIJ-CQSZACIVSA-N 1 0 334.420 3.289 20 5 EGBDRO CCO[C@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000155476025 455006179 /nfs/dbraw/zinc/00/61/79/455006179.db2.gz OOIWJEIPQZLIBF-ZDUSSCGKSA-N 1 0 330.331 3.197 20 5 EGBDRO C[C@H](c1ccccn1)N(C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000128027988 455019533 /nfs/dbraw/zinc/01/95/33/455019533.db2.gz OOGLWTYFHNKEQY-GFCCVEGCSA-N 1 0 339.355 3.233 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000179623129 455061709 /nfs/dbraw/zinc/06/17/09/455061709.db2.gz RZGDYDCKBIDVDF-MRXNPFEDSA-N 1 0 347.459 3.466 20 5 EGBDRO C[C@@H]([NH2+][C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CCOCC1 ZINC000179857496 455090346 /nfs/dbraw/zinc/09/03/46/455090346.db2.gz TXJAXKJNQAWVEC-NEPJUHHUSA-N 1 0 346.387 3.111 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000156392491 455113192 /nfs/dbraw/zinc/11/31/92/455113192.db2.gz MKSOEOGAQCWBGM-HNNXBMFYSA-N 1 0 348.447 3.393 20 5 EGBDRO Cc1ccnc(NCC2CCN(c3cc[nH+]cc3)CC2)c1[N+](=O)[O-] ZINC000180041321 455121124 /nfs/dbraw/zinc/12/11/24/455121124.db2.gz QPTNAXBCYCXGGW-UHFFFAOYSA-N 1 0 327.388 3.022 20 5 EGBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@H]2CCCC[C@H]2Cc2ccccc2)n1 ZINC000119035018 455121484 /nfs/dbraw/zinc/12/14/84/455121484.db2.gz STSXXFHVRKPSGI-IRXDYDNUSA-N 1 0 328.416 3.182 20 5 EGBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2C[C@H]3CCCC[C@]32c2ccccc2)n1 ZINC000152507981 455129555 /nfs/dbraw/zinc/12/95/55/455129555.db2.gz SNMUTGRGIQEPHW-AEFFLSMTSA-N 1 0 326.400 3.193 20 5 EGBDRO COCc1cc([N+](=O)[O-])ccc1NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000156708586 455145907 /nfs/dbraw/zinc/14/59/07/455145907.db2.gz KFQDXVQDZPLIQJ-GOSISDBHSA-N 1 0 343.427 3.326 20 5 EGBDRO C[C@@H]([NH2+]CC(=O)N([C@H](C)C1CC1)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000180430566 455167660 /nfs/dbraw/zinc/16/76/60/455167660.db2.gz ODPKQSWAWZFKPV-CHWSQXEVSA-N 1 0 331.416 3.035 20 5 EGBDRO C[C@@H]([NH2+]CC(=O)N([C@@H](C)C1CC1)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000180430528 455167708 /nfs/dbraw/zinc/16/77/08/455167708.db2.gz ODPKQSWAWZFKPV-OLZOCXBDSA-N 1 0 331.416 3.035 20 5 EGBDRO C[C@H]([NH2+]CC(=O)NCCC1=CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000180435037 455168628 /nfs/dbraw/zinc/16/86/28/455168628.db2.gz ZRCAVGMMJWGTHX-AWEZNQCLSA-N 1 0 331.416 3.252 20 5 EGBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000264435084 455213349 /nfs/dbraw/zinc/21/33/49/455213349.db2.gz BDFUSWDMWHKSEU-HNNXBMFYSA-N 1 0 343.383 3.041 20 5 EGBDRO O=C(NCC[NH2+]C1CCCCCC1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000237750957 455214295 /nfs/dbraw/zinc/21/42/95/455214295.db2.gz NUXFHIGJHFGLQY-UHFFFAOYSA-N 1 0 339.823 3.290 20 5 EGBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000245498773 455314648 /nfs/dbraw/zinc/31/46/48/455314648.db2.gz WWMWXDGZUBYOJN-QMTHXVAHSA-N 1 0 340.811 3.052 20 5 EGBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1cccc2ccccc21 ZINC000181650912 455367277 /nfs/dbraw/zinc/36/72/77/455367277.db2.gz UCELWAAWTNMBCK-AWEZNQCLSA-N 1 0 337.379 3.261 20 5 EGBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000265939247 455411064 /nfs/dbraw/zinc/41/10/64/455411064.db2.gz HEJSGGQECJSEDU-BBRMVZONSA-N 1 0 347.459 3.305 20 5 EGBDRO Cc1cc(NC(=O)N2CCC[N@@H+](C3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000184608894 455412998 /nfs/dbraw/zinc/41/29/98/455412998.db2.gz HEKIMKVXRRAQLR-UHFFFAOYSA-N 1 0 346.431 3.385 20 5 EGBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCCC3(CCOCC3)C2)cc1 ZINC000265997209 455420980 /nfs/dbraw/zinc/42/09/80/455420980.db2.gz HZUQTYNGBKXJJI-UHFFFAOYSA-N 1 0 334.416 3.256 20 5 EGBDRO C[C@@H]([NH2+][C@H](CO)Cc1c[nH]c2ccccc12)c1cccc([N+](=O)[O-])c1 ZINC000266758018 455448633 /nfs/dbraw/zinc/44/86/33/455448633.db2.gz FMOWRKBARZWZAX-CJNGLKHVSA-N 1 0 339.395 3.330 20 5 EGBDRO Cc1cccc([C@@H]2CCC[N@@H+]2C[C@@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000246210070 455449244 /nfs/dbraw/zinc/44/92/44/455449244.db2.gz CBCFNVUMWOQVFQ-ZWKOTPCHSA-N 1 0 327.384 3.169 20 5 EGBDRO CCc1ccc([C@@H](COC)[NH2+]CCOc2cccc([N+](=O)[O-])c2)o1 ZINC000184838520 455457159 /nfs/dbraw/zinc/45/71/59/455457159.db2.gz SKZNDKVCTRYRMP-MRXNPFEDSA-N 1 0 334.372 3.106 20 5 EGBDRO Cc1cnc([C@H](C)[NH2+]CCC(=O)Nc2cccc([N+](=O)[O-])c2C)s1 ZINC000184987682 455483234 /nfs/dbraw/zinc/48/32/34/455483234.db2.gz NZSWEOFVFXVQIC-LBPRGKRZSA-N 1 0 348.428 3.348 20 5 EGBDRO CCOC(=O)[C@@](C)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000191636085 455505385 /nfs/dbraw/zinc/50/53/85/455505385.db2.gz TVSLGBWYPDQKLO-IBGZPJMESA-N 1 0 342.395 3.205 20 5 EGBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])NC1CC[NH+](C2CCCC2)CC1 ZINC000267144820 455507142 /nfs/dbraw/zinc/50/71/42/455507142.db2.gz JSTDEFQISZHDOC-MDZDMXLPSA-N 1 0 343.427 3.131 20 5 EGBDRO CC(C)NC(=O)c1ccc(N[C@H]2CCC[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000267277647 455529849 /nfs/dbraw/zinc/52/98/49/455529849.db2.gz ODOKGTHRCUGCEQ-LSDHHAIUSA-N 1 0 348.447 3.018 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCO[C@H]1c1ccccc1 ZINC000191972738 455537548 /nfs/dbraw/zinc/53/75/48/455537548.db2.gz NHAWSKIWIMWBFS-AEFFLSMTSA-N 1 0 328.368 3.223 20 5 EGBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000161170231 455543103 /nfs/dbraw/zinc/54/31/03/455543103.db2.gz GGBVPROSVUDAAZ-MFKMUULPSA-N 1 0 331.338 3.390 20 5 EGBDRO CCOc1ccc(NC(=O)C[NH2+][C@H](C)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000182704252 455571961 /nfs/dbraw/zinc/57/19/61/455571961.db2.gz INMUWAJZENUWRI-CYBMUJFWSA-N 1 0 349.431 3.490 20 5 EGBDRO CC1CC[NH+](C2CCC(NC(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000161486819 455574577 /nfs/dbraw/zinc/57/45/77/455574577.db2.gz UGBVFBIHUIUMIM-UHFFFAOYSA-N 1 0 345.443 3.368 20 5 EGBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000601022891 460679114 /nfs/dbraw/zinc/67/91/14/460679114.db2.gz SHGVJJPOJWQTBQ-MJBXVCDLSA-N 1 0 349.406 3.211 20 5 EGBDRO O=[N+]([O-])c1ccc(CN2CCC[C@H]2c2ccncc2)c([N+](=O)[O-])c1 ZINC000283911934 455610160 /nfs/dbraw/zinc/61/01/60/455610160.db2.gz BWAABDRXDFGOOZ-HNNXBMFYSA-N 1 0 328.328 3.235 20 5 EGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1cc(C)nn1C ZINC000284108114 455636770 /nfs/dbraw/zinc/63/67/70/455636770.db2.gz CBWQCLIPCJXMHE-ZDUSSCGKSA-N 1 0 334.445 3.297 20 5 EGBDRO O=C1CCCCCN1CCC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192603873 455651208 /nfs/dbraw/zinc/65/12/08/455651208.db2.gz BSIUQQILUPXBHK-SFHVURJKSA-N 1 0 345.443 3.355 20 5 EGBDRO CCOc1ccc([C@@H](C)[NH2+]CCOc2ncccc2F)cc1[N+](=O)[O-] ZINC000271546436 455679568 /nfs/dbraw/zinc/67/95/68/455679568.db2.gz UHHZLDOUZKOOCS-GFCCVEGCSA-N 1 0 349.362 3.257 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H]1CCCC[C@H]1C ZINC000192800414 455696367 /nfs/dbraw/zinc/69/63/67/455696367.db2.gz IUXJKZTWNQSTOW-OCCSQVGLSA-N 1 0 335.404 3.100 20 5 EGBDRO CC(C)[C@@H]1C[C@@H]([NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)CCO1 ZINC000271607682 455698230 /nfs/dbraw/zinc/69/82/30/455698230.db2.gz WLXGLUZFUSGNGX-KMFMINBZSA-N 1 0 349.431 3.105 20 5 EGBDRO COc1cccc([C@H](CNc2ccc([N+](=O)[O-])c(C)n2)[NH+](C)C)c1 ZINC000268507051 455702872 /nfs/dbraw/zinc/70/28/72/455702872.db2.gz RHEOODQLRIRXKD-INIZCTEOSA-N 1 0 330.388 3.022 20 5 EGBDRO C[N@@H+]1CCC[C@@H]2CN(c3ccc([N+](=O)[O-])c4cccnc43)CC[C@H]21 ZINC000268807384 455714122 /nfs/dbraw/zinc/71/41/22/455714122.db2.gz GAPBSAXDZQKGHV-UKRRQHHQSA-N 1 0 326.400 3.064 20 5 EGBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccc([S@](C)=O)cc1 ZINC000268900389 455723506 /nfs/dbraw/zinc/72/35/06/455723506.db2.gz CNZMIYLBQHPYQA-NPMABZOXSA-N 1 0 332.425 3.226 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCC[C@H]3[C@@H]3CCCO3)co2)cc1 ZINC000284736034 455734002 /nfs/dbraw/zinc/73/40/02/455734002.db2.gz KOTGNBKQKNUZOW-IRXDYDNUSA-N 1 0 343.383 3.393 20 5 EGBDRO CC[C@H]([NH2+]C[C@@H](O)c1cccc(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000268935052 455735457 /nfs/dbraw/zinc/73/54/57/455735457.db2.gz ROXZCGHVYWSYIH-ZWKOTPCHSA-N 1 0 330.384 3.378 20 5 EGBDRO CN(C)c1cccc(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)n1 ZINC000193050713 455738996 /nfs/dbraw/zinc/73/89/96/455738996.db2.gz OUGJVHOSYWXNHP-KRWDZBQOSA-N 1 0 326.400 3.223 20 5 EGBDRO COC(=O)N1CCC([C@H](C)[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000186356545 455750883 /nfs/dbraw/zinc/75/08/83/455750883.db2.gz SCJMFIXNAGNVOP-DYLGSBMWSA-N 1 0 347.415 3.065 20 5 EGBDRO CC(C)(C)[C@@H](CO)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000194631429 455866438 /nfs/dbraw/zinc/86/64/38/455866438.db2.gz VYBRCKJEYNOUOV-CQSZACIVSA-N 1 0 335.429 3.215 20 5 EGBDRO Cc1c(C[N@@H+]2CCC[C@@](O)(C(F)(F)F)CC2)cccc1[N+](=O)[O-] ZINC000285614608 455882196 /nfs/dbraw/zinc/88/21/96/455882196.db2.gz QGBPPMINNJVZQU-AWEZNQCLSA-N 1 0 332.322 3.183 20 5 EGBDRO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000270272374 455917351 /nfs/dbraw/zinc/91/73/51/455917351.db2.gz WRZOROHACKWQDU-CYBMUJFWSA-N 1 0 348.424 3.239 20 5 EGBDRO Cc1nc(C[C@@H]2CCC[N@@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)C2)no1 ZINC000195517989 455977273 /nfs/dbraw/zinc/97/72/73/455977273.db2.gz HKBRZDWTDPSNCW-JSGCOSHPSA-N 1 0 330.388 3.302 20 5 EGBDRO CCN(CC)C(=O)C[C@@H](C)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000272539025 455987578 /nfs/dbraw/zinc/98/75/78/455987578.db2.gz BUVGCDFUPIULIR-GFCCVEGCSA-N 1 0 341.839 3.027 20 5 EGBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1c1ccc([N+](=O)[O-])c2cccnc21 ZINC000286186415 455996306 /nfs/dbraw/zinc/99/63/06/455996306.db2.gz AUTWHCFYXVNXAS-KBPBESRZSA-N 1 0 326.400 3.206 20 5 EGBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000296682961 456009149 /nfs/dbraw/zinc/00/91/49/456009149.db2.gz IOKLZAQIQPMYFK-APIJFGDWSA-N 1 0 333.432 3.138 20 5 EGBDRO C[C@@H](c1ccc(F)cc1)[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000198864790 456013465 /nfs/dbraw/zinc/01/34/65/456013465.db2.gz SXUDHFAHHJYHFP-GUYCJALGSA-N 1 0 348.374 3.167 20 5 EGBDRO CO[C@]1(C)CCC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000280639503 456019675 /nfs/dbraw/zinc/01/96/75/456019675.db2.gz YDWGPZAVYOUHJN-QGZVFWFLSA-N 1 0 346.387 3.036 20 5 EGBDRO CCC(=O)c1ccc(N2CCC[C@H]3C[N@H+](C)CC[C@H]32)c([N+](=O)[O-])c1 ZINC000280648116 456022355 /nfs/dbraw/zinc/02/23/55/456022355.db2.gz FEDGQKFTVHOJNS-LSDHHAIUSA-N 1 0 331.416 3.108 20 5 EGBDRO CC(C)(C)c1ccc(C(=O)N2CCCC[C@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC000286341748 456027562 /nfs/dbraw/zinc/02/75/62/456027562.db2.gz ZLMXBRWEJSLNFN-AWEZNQCLSA-N 1 0 333.432 3.236 20 5 EGBDRO CC(=O)Nc1ccc([C@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])cc1 ZINC000272763047 456063912 /nfs/dbraw/zinc/06/39/12/456063912.db2.gz QUTYFWDEAZJFHW-ZDUSSCGKSA-N 1 0 327.384 3.447 20 5 EGBDRO CC(C)c1ccc(C(=O)N2C[C@H]3CCCC[N@@H+]3C[C@@H]2C)cc1[N+](=O)[O-] ZINC000332528538 456086923 /nfs/dbraw/zinc/08/69/23/456086923.db2.gz QARBYCXYYCWNEN-GOEBONIOSA-N 1 0 345.443 3.417 20 5 EGBDRO COc1cc(NC[C@H](C)[N@@H+]2CCc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000301359520 456098966 /nfs/dbraw/zinc/09/89/66/456098966.db2.gz LMADBUPOAXVXKE-AWEZNQCLSA-N 1 0 341.411 3.462 20 5 EGBDRO Cc1cnc(NC2CC[NH+](Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000301369658 456100877 /nfs/dbraw/zinc/10/08/77/456100877.db2.gz RYZIPDNEPCVIDC-UHFFFAOYSA-N 1 0 326.400 3.375 20 5 EGBDRO C[C@@H]1C[C@@H](Nc2ncccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000301563188 456147982 /nfs/dbraw/zinc/14/79/82/456147982.db2.gz VJSYADNDOLDQGS-ZBFHGGJFSA-N 1 0 326.400 3.455 20 5 EGBDRO CC(C)c1ccc([C@H]([NH3+])CNC(=O)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000236777129 456182574 /nfs/dbraw/zinc/18/25/74/456182574.db2.gz WHNMVTCUUJWUFN-QGZVFWFLSA-N 1 0 345.374 3.287 20 5 EGBDRO O=[N+]([O-])c1ccc2nccc(N3CC[C@H](C[NH+]4CCCC4)C3)c2c1 ZINC000601121860 460718385 /nfs/dbraw/zinc/71/83/85/460718385.db2.gz PYTSOAPLKGHPPE-CQSZACIVSA-N 1 0 326.400 3.065 20 5 EGBDRO CC(C)c1ccc(C(=O)N2CC[NH+](C3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000188987629 456190099 /nfs/dbraw/zinc/19/00/99/456190099.db2.gz ZOWKTKJWMZBJQS-UHFFFAOYSA-N 1 0 345.443 3.419 20 5 EGBDRO C[C@H](NC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C)c1ccc([N+](=O)[O-])cc1 ZINC000297532218 456244578 /nfs/dbraw/zinc/24/45/78/456244578.db2.gz IHPLUMLBJSKZOU-GOEBONIOSA-N 1 0 348.447 3.172 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000302011864 456268460 /nfs/dbraw/zinc/26/84/60/456268460.db2.gz CWEMDSAUYRKSKN-UHFFFAOYSA-N 1 0 347.459 3.232 20 5 EGBDRO CC1(C)C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC[C@H]1O ZINC000275976539 456361474 /nfs/dbraw/zinc/36/14/74/456361474.db2.gz MGJZYCABJQBDRN-QGZVFWFLSA-N 1 0 330.384 3.448 20 5 EGBDRO COc1ccc(NC(=O)CC[N@H+](C)C(C2CC2)C2CC2)c([N+](=O)[O-])c1 ZINC000298111992 456366783 /nfs/dbraw/zinc/36/67/83/456366783.db2.gz MGINHGMPARAPSQ-UHFFFAOYSA-N 1 0 347.415 3.052 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+](C1CCC1)C1CCC1 ZINC000298459049 456463233 /nfs/dbraw/zinc/46/32/33/456463233.db2.gz RMXXIFNIOPLFCY-UHFFFAOYSA-N 1 0 347.415 3.339 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000276407350 456471510 /nfs/dbraw/zinc/47/15/10/456471510.db2.gz LQXIIMGLMXVPCX-ZBFHGGJFSA-N 1 0 346.431 3.160 20 5 EGBDRO CS[C@@H](CO)[C@H](C)[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290933397 456472312 /nfs/dbraw/zinc/47/23/12/456472312.db2.gz SHHTYKICUXQWFT-CPCISQLKSA-N 1 0 339.244 3.104 20 5 EGBDRO CCN(CCC[NH+]1CCCC1)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000276523312 456505154 /nfs/dbraw/zinc/50/51/54/456505154.db2.gz XXTPRVRMWNYFMP-UHFFFAOYSA-N 1 0 345.399 3.289 20 5 EGBDRO Cc1ccc(C)c(NC(=O)CN(C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000282446050 456516600 /nfs/dbraw/zinc/51/66/00/456516600.db2.gz LNABTYPIIVVXQQ-UHFFFAOYSA-N 1 0 341.411 3.325 20 5 EGBDRO CC(C)(CNC(=O)c1cc([N+](=O)[O-])ccc1Cl)C[NH+]1CCCC1 ZINC000276683748 456550889 /nfs/dbraw/zinc/55/08/89/456550889.db2.gz FXFKGPCUSDJJOI-UHFFFAOYSA-N 1 0 339.823 3.100 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@H](n4cccn4)C3)o2)cc1 ZINC000291189732 456558971 /nfs/dbraw/zinc/55/89/71/456558971.db2.gz GLDYRLXAWKLBEG-INIZCTEOSA-N 1 0 338.367 3.498 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CC[C@H](n3cccn3)C2)o1 ZINC000291236675 456574380 /nfs/dbraw/zinc/57/43/80/456574380.db2.gz KUEDBKIEZMJJGJ-AWEZNQCLSA-N 1 0 338.367 3.498 20 5 EGBDRO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)C1CCOCC1 ZINC000343382759 456576739 /nfs/dbraw/zinc/57/67/39/456576739.db2.gz HGUFJPGOXWLTJR-ZFWWWQNUSA-N 1 0 349.431 3.025 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)c(Cl)c1 ZINC000348310919 456614946 /nfs/dbraw/zinc/61/49/46/456614946.db2.gz SZWWVVVEZJGDOH-SKDRFNHKSA-N 1 0 338.713 3.448 20 5 EGBDRO COc1cc(N2CCC([NH+]3CCCCC3)CC2)c(F)cc1[N+](=O)[O-] ZINC000277042419 456661143 /nfs/dbraw/zinc/66/11/43/456661143.db2.gz FZBTYSWGLREQGH-UHFFFAOYSA-N 1 0 337.395 3.197 20 5 EGBDRO CC[C@@H]1[C@H](C)CC[N@@H+]1CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000299343643 456662397 /nfs/dbraw/zinc/66/23/97/456662397.db2.gz OXXOQPYSMJVCKY-IUODEOHRSA-N 1 0 335.404 3.052 20 5 EGBDRO C[C@H]([NH2+][C@@H](C)c1ccc2[nH]c(=O)[nH]c2c1)c1ccc([N+](=O)[O-])cc1 ZINC000324614470 456670403 /nfs/dbraw/zinc/67/04/03/456670403.db2.gz LWRFGZUWQMJNHB-QWRGUYRKSA-N 1 0 326.356 3.176 20 5 EGBDRO C[C@@H](NC(=O)CC[C@H]([NH3+])c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000324761487 456671824 /nfs/dbraw/zinc/67/18/24/456671824.db2.gz UKPBCSQDGHGTPB-DYVFJYSZSA-N 1 0 327.384 3.252 20 5 EGBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccc(N2CCCC2)nc1 ZINC000283063817 456702953 /nfs/dbraw/zinc/70/29/53/456702953.db2.gz PTTXNVSGXLXPOF-UHFFFAOYSA-N 1 0 340.427 3.265 20 5 EGBDRO CNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000291861751 456781546 /nfs/dbraw/zinc/78/15/46/456781546.db2.gz HQLDKZCEDQVAIJ-QWRGUYRKSA-N 1 0 333.413 3.108 20 5 EGBDRO C[C@@H]1C[NH+](CCCNc2ccc([N+](=O)[O-])cc2Cl)C[C@@H](C)O1 ZINC000301101700 456797164 /nfs/dbraw/zinc/79/71/64/456797164.db2.gz YLJUBOSTQLEJIU-VXGBXAGGSA-N 1 0 327.812 3.159 20 5 EGBDRO CO[C@H]1CCC[C@@H]1C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000341274839 456829718 /nfs/dbraw/zinc/82/97/18/456829718.db2.gz YCXDZIPCCBVQFK-MFKMUULPSA-N 1 0 330.331 3.101 20 5 EGBDRO CC[N@H+]1C[C@@H](C)N(C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000344453564 456830729 /nfs/dbraw/zinc/83/07/29/456830729.db2.gz NKLDEKONOGZNLA-TXEJJXNPSA-N 1 0 339.823 3.111 20 5 EGBDRO Cc1ccc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(C)c1 ZINC000353708889 456865412 /nfs/dbraw/zinc/86/54/12/456865412.db2.gz IQKIOCMBUBZGEN-MRXNPFEDSA-N 1 0 326.400 3.293 20 5 EGBDRO COC(=O)CC[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C(C)C ZINC000338997019 456892426 /nfs/dbraw/zinc/89/24/26/456892426.db2.gz ZETCQTWRZRWFQW-UHFFFAOYSA-N 1 0 348.321 3.387 20 5 EGBDRO CC[C@H]([NH2+][C@H]1CCC(=O)N[C@@H]1C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000353788522 456906339 /nfs/dbraw/zinc/90/63/39/456906339.db2.gz BNWBBJBOPKWBDG-ZOBUZTSGSA-N 1 0 333.432 3.329 20 5 EGBDRO C[C@@H]([NH2+]Cc1ccc(C[S@](C)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000353793467 456908831 /nfs/dbraw/zinc/90/88/31/456908831.db2.gz JLGSNNZDVQADEX-ZLOXQWCVSA-N 1 0 332.425 3.324 20 5 EGBDRO COc1cc(C[NH2+]C2CCC(F)(F)CC2)c([N+](=O)[O-])cc1OC ZINC000341717485 456912221 /nfs/dbraw/zinc/91/22/21/456912221.db2.gz DLOFXGSTCGQGFS-UHFFFAOYSA-N 1 0 330.331 3.280 20 5 EGBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNc2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000341724290 456916358 /nfs/dbraw/zinc/91/63/58/456916358.db2.gz VMMRMCKDHSDPIN-VXGBXAGGSA-N 1 0 349.460 3.379 20 5 EGBDRO C[N@@H+]1CCN(Cc2c(F)cccc2[N+](=O)[O-])C[C@@H]1Cc1ccccc1 ZINC000341957763 457024922 /nfs/dbraw/zinc/02/49/22/457024922.db2.gz CBMDQQIMOXANHI-INIZCTEOSA-N 1 0 343.402 3.093 20 5 EGBDRO C[NH+](C)CC1(NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CCC1 ZINC000341960204 457026239 /nfs/dbraw/zinc/02/62/39/457026239.db2.gz JKPQNYWDFJLCDF-UHFFFAOYSA-N 1 0 333.432 3.106 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2C[C@@H]3CC[C@@H](O)[C@@H]3C2)o1 ZINC000346323222 457032557 /nfs/dbraw/zinc/03/25/57/457032557.db2.gz FVBKYPAMNUAZEQ-XGWLTEMNSA-N 1 0 328.368 3.058 20 5 EGBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)C[N@H+](C)C(C)C ZINC000356765544 457156827 /nfs/dbraw/zinc/15/68/27/457156827.db2.gz KSNBOULZMGDWBP-GOEBONIOSA-N 1 0 335.448 3.008 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2ccc(CN(C3CC3)[C@H]3CC[NH2+]C3)o2)c1 ZINC000347153348 457259035 /nfs/dbraw/zinc/25/90/35/457259035.db2.gz CEALAGHTQFMFLO-INIZCTEOSA-N 1 0 327.384 3.181 20 5 EGBDRO CC(C)N(C)C(=O)C1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000351979903 457327956 /nfs/dbraw/zinc/32/79/56/457327956.db2.gz ZFWPBRKYXPSUOP-VURMDHGXSA-N 1 0 345.443 3.187 20 5 EGBDRO COc1ccc(NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000360748161 457335755 /nfs/dbraw/zinc/33/57/55/457335755.db2.gz RKNPAAKOPUZHGZ-INIZCTEOSA-N 1 0 335.404 3.052 20 5 EGBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)CC[C@H]1CCCO1 ZINC000342605590 457396406 /nfs/dbraw/zinc/39/64/06/457396406.db2.gz YWHNYQZXBPMNOI-IUODEOHRSA-N 1 0 346.387 3.207 20 5 EGBDRO O=[N+]([O-])c1cccc2ncnc(N[C@@H]3CC[N@H+](CC4CCCC4)C3)c21 ZINC000347417630 457415118 /nfs/dbraw/zinc/41/51/18/457415118.db2.gz UKMSEGJBQVZNPV-CQSZACIVSA-N 1 0 341.415 3.214 20 5 EGBDRO COc1c(C(=O)Nc2ccc(C)cc2C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000356111537 457455639 /nfs/dbraw/zinc/45/56/39/457455639.db2.gz DUXBVUHXLGXDPF-UHFFFAOYSA-N 1 0 343.383 3.226 20 5 EGBDRO C[N@@H+](Cc1ccc(Br)cc1[N+](=O)[O-])C[C@H]1CCCOC1 ZINC000425399325 457534400 /nfs/dbraw/zinc/53/44/00/457534400.db2.gz DIQJXXIMHDAMPB-LLVKDONJSA-N 1 0 343.221 3.216 20 5 EGBDRO CCC[C@H]([NH2+][C@@H]1CCO[C@]2(CCOC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000364297797 457553732 /nfs/dbraw/zinc/55/37/32/457553732.db2.gz BELYQAKAFYGPMK-BPQIPLTHSA-N 1 0 334.416 3.364 20 5 EGBDRO CSC1(CNc2ccc([N+](=O)[O-])cc2Cl)CC[NH+](C)CC1 ZINC000357564033 457597222 /nfs/dbraw/zinc/59/72/22/457597222.db2.gz IOCDFFHSEZEXRQ-UHFFFAOYSA-N 1 0 329.853 3.488 20 5 EGBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CC3(CCC3)[C@H]2C2CCOCC2)cc1 ZINC000425556353 457598033 /nfs/dbraw/zinc/59/80/33/457598033.db2.gz SSYZOLUFIUDGLQ-GOSISDBHSA-N 1 0 346.427 3.255 20 5 EGBDRO CCC[C@@H]([NH2+][C@H]1CCN(c2cnn(C)c2)C1)c1cccc([N+](=O)[O-])c1 ZINC000374576221 457664546 /nfs/dbraw/zinc/66/45/46/457664546.db2.gz OXSDKSHQSMYSLB-MAUKXSAKSA-N 1 0 343.431 3.038 20 5 EGBDRO CCC[N@H+](CC)C[C@@H](C)Nc1ncc([N+](=O)[O-])cc1Br ZINC000357789269 457690663 /nfs/dbraw/zinc/69/06/63/457690663.db2.gz WYZZUNDXYBMVTL-SNVBAGLBSA-N 1 0 345.241 3.285 20 5 EGBDRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1ccc([N+](=O)[O-])s1)[NH+](C)C ZINC000357844843 457709199 /nfs/dbraw/zinc/70/91/99/457709199.db2.gz CQCMJGXJLADJNO-BLLLJJGKSA-N 1 0 347.440 3.386 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(OC(F)F)c1 ZINC000443426891 457763703 /nfs/dbraw/zinc/76/37/03/457763703.db2.gz HFKHUILNEGITPC-MNOVXSKESA-N 1 0 327.331 3.235 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(OC(F)F)c1 ZINC000443426895 457763997 /nfs/dbraw/zinc/76/39/97/457763997.db2.gz HFKHUILNEGITPC-WDEREUQCSA-N 1 0 327.331 3.235 20 5 EGBDRO COC1(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CCCC1 ZINC000361547125 457786625 /nfs/dbraw/zinc/78/66/25/457786625.db2.gz DUQHVPRTPIOWFX-UHFFFAOYSA-N 1 0 334.416 3.397 20 5 EGBDRO O=[N+]([O-])c1cccc(CC[NH2+]Cc2cnc(C(F)(F)F)s2)c1 ZINC000443987101 457834028 /nfs/dbraw/zinc/83/40/28/457834028.db2.gz INNBXJJSKMFGTA-UHFFFAOYSA-N 1 0 331.319 3.402 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCC[C@@H]1C(C)C ZINC000411275936 457848640 /nfs/dbraw/zinc/84/86/40/457848640.db2.gz LFEZBZZBXVRROD-MRXNPFEDSA-N 1 0 349.431 3.443 20 5 EGBDRO Cc1ccc2c(c1)CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C2 ZINC000361842411 457901340 /nfs/dbraw/zinc/90/13/40/457901340.db2.gz LCTNLCSXWFJJBC-UHFFFAOYSA-N 1 0 339.395 3.290 20 5 EGBDRO COc1ccc(NC(=O)CC[N@H+](C)[C@@H]2CCC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000411660298 457942080 /nfs/dbraw/zinc/94/20/80/457942080.db2.gz AWBJXWQRVRYQLY-CYBMUJFWSA-N 1 0 349.431 3.443 20 5 EGBDRO COCC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1CC[C@H](C)C1 ZINC000444713774 457953554 /nfs/dbraw/zinc/95/35/54/457953554.db2.gz ZTXZZZWUZUJENK-QWHCGFSZSA-N 1 0 332.404 3.108 20 5 EGBDRO Cc1ccccc1[C@H](CC(F)(F)F)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000444776744 457975862 /nfs/dbraw/zinc/97/58/62/457975862.db2.gz CZNFSWUKLFAMHD-AWEZNQCLSA-N 1 0 342.321 3.383 20 5 EGBDRO Cc1ccccc1[C@H](CC(F)(F)F)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000444787419 457977467 /nfs/dbraw/zinc/97/74/67/457977467.db2.gz XRYQELFFNCWIJL-ZDUSSCGKSA-N 1 0 342.321 3.383 20 5 EGBDRO CCC(C)(C)[NH2+][C@@H](C)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000358398486 457978919 /nfs/dbraw/zinc/97/89/19/457978919.db2.gz YMWOYZQOJKNPPU-JTQLQIEISA-N 1 0 327.812 3.031 20 5 EGBDRO CCC[C@H]([NH2+]C[C@@]1(N(C)C)CCSC1)c1cccc([N+](=O)[O-])c1 ZINC000361972904 457987304 /nfs/dbraw/zinc/98/73/04/457987304.db2.gz USYDEZKTJSBLDN-IRXDYDNUSA-N 1 0 337.489 3.463 20 5 EGBDRO COc1ccc(C[NH2+]CC2(c3ccccn3)CCC2)cc1[N+](=O)[O-] ZINC000375753507 458051258 /nfs/dbraw/zinc/05/12/58/458051258.db2.gz LNRHNEFFZDGPQD-UHFFFAOYSA-N 1 0 327.384 3.210 20 5 EGBDRO C[C@]1(CCc2ccccc2)CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000434911355 458066343 /nfs/dbraw/zinc/06/63/43/458066343.db2.gz YNFBVEJFMBTPAH-SFHVURJKSA-N 1 0 328.416 3.136 20 5 EGBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000358650219 458127990 /nfs/dbraw/zinc/12/79/90/458127990.db2.gz NPAIMLYVWNYIRL-ZNMIVQPWSA-N 1 0 331.416 3.072 20 5 EGBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000358650319 458129658 /nfs/dbraw/zinc/12/96/58/458129658.db2.gz NTMNZGNQMJRXFS-JKIFEVAISA-N 1 0 331.416 3.072 20 5 EGBDRO C[C@H]1CCCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@H]1C[NH3+] ZINC000435390590 458133607 /nfs/dbraw/zinc/13/36/07/458133607.db2.gz SHQMZDQGERNJPP-LRDDRELGSA-N 1 0 346.456 3.278 20 5 EGBDRO Cn1nccc1[C@H]1CCC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000372038939 458169189 /nfs/dbraw/zinc/16/91/89/458169189.db2.gz ZYHHVDRXMKTEEX-ZDUSSCGKSA-N 1 0 334.807 3.361 20 5 EGBDRO C[C@@H](C1CCCCC1)[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000447397089 458292454 /nfs/dbraw/zinc/29/24/54/458292454.db2.gz MQHBTVNFZHFXKL-HOCLYGCPSA-N 1 0 336.432 3.235 20 5 EGBDRO CN(CC[C@H]1CCCC[N@@H+]1C)c1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000436385458 458297827 /nfs/dbraw/zinc/29/78/27/458297827.db2.gz IENZQVQMTRTCDB-LLVKDONJSA-N 1 0 346.353 3.319 20 5 EGBDRO COc1ccc(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000447517116 458303090 /nfs/dbraw/zinc/30/30/90/458303090.db2.gz JLSLCKJTRJLXGM-JKSUJKDBSA-N 1 0 330.388 3.073 20 5 EGBDRO Cc1ccccc1CC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447513476 458303098 /nfs/dbraw/zinc/30/30/98/458303098.db2.gz WPOSJXPACLXUPH-IAGOWNOFSA-N 1 0 328.416 3.416 20 5 EGBDRO CCC1(CC)[C@@H]([NH2+]CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C[C@@H]1OC ZINC000429288518 458308936 /nfs/dbraw/zinc/30/89/36/458308936.db2.gz WJAWVXFSPQNOHE-GJZGRUSLSA-N 1 0 349.431 3.025 20 5 EGBDRO C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447544546 458309002 /nfs/dbraw/zinc/30/90/02/458309002.db2.gz VZPNQPPVNFWMBB-XYPHTWIQSA-N 1 0 344.415 3.201 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000448078283 458387254 /nfs/dbraw/zinc/38/72/54/458387254.db2.gz RIDFXSWRTCMLBN-OAHLLOKOSA-N 1 0 334.420 3.145 20 5 EGBDRO CN(C)C1(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CCC1 ZINC000437074649 458425339 /nfs/dbraw/zinc/42/53/39/458425339.db2.gz JQLJVSDOOOGBBS-DOTOQJQBSA-N 1 0 331.460 3.380 20 5 EGBDRO Cc1ccc(C)c(OCC[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000373247972 458443165 /nfs/dbraw/zinc/44/31/65/458443165.db2.gz VIAKIADCKNYTJW-UHFFFAOYSA-N 1 0 344.415 3.124 20 5 EGBDRO CCc1ccccc1[C@H](N)C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000423517127 458448901 /nfs/dbraw/zinc/44/89/01/458448901.db2.gz YORNETTVBMTEKO-RDTXWAMCSA-N 1 0 327.428 3.378 20 5 EGBDRO C[C@@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])s2)CC[N@@H+]1Cc1ccccc1 ZINC000377081630 458456819 /nfs/dbraw/zinc/45/68/19/458456819.db2.gz KOQLEVHFFYWHGN-TZMCWYRMSA-N 1 0 345.424 3.049 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3CC[C@](O)(C4CC4)C3)o2)c1 ZINC000373318858 458460011 /nfs/dbraw/zinc/46/00/11/458460011.db2.gz MRWIHOOTTBKDSN-GOSISDBHSA-N 1 0 328.368 3.202 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3CC[C@@](O)(C4CC4)C3)cs2)c1 ZINC000373324742 458461157 /nfs/dbraw/zinc/46/11/57/458461157.db2.gz QOMVIHMHCDGANM-KRWDZBQOSA-N 1 0 345.424 3.065 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000423602258 458461149 /nfs/dbraw/zinc/46/11/49/458461149.db2.gz FULZFEPFIPMIDV-UHFFFAOYSA-N 1 0 341.411 3.203 20 5 EGBDRO CCCC[C@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000460357632 458513539 /nfs/dbraw/zinc/51/35/39/458513539.db2.gz UTGKZRSFEOYMDH-DZGCQCFKSA-N 1 0 349.431 3.490 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCNC(=O)CC1CCCC1 ZINC000468642579 458529754 /nfs/dbraw/zinc/52/97/54/458529754.db2.gz LCXXHYLSXJLZKT-RVDMUPIBSA-N 1 0 345.443 3.284 20 5 EGBDRO CN(C(=O)Cc1ccccc1[N+](=O)[O-])C(C)(C)C[NH+]1CCCCCC1 ZINC000494000056 458613659 /nfs/dbraw/zinc/61/36/59/458613659.db2.gz OAJVIWRGVXXCMI-UHFFFAOYSA-N 1 0 347.459 3.250 20 5 EGBDRO COC(=O)[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)[C@H]1C ZINC000470139386 458615881 /nfs/dbraw/zinc/61/58/81/458615881.db2.gz BQCFMHWQLAVIDY-JSGCOSHPSA-N 1 0 344.367 3.238 20 5 EGBDRO COC(=O)[C@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[C@@H]1C ZINC000470147073 458616695 /nfs/dbraw/zinc/61/66/95/458616695.db2.gz CEEXRMXWVOSTFX-WBMJQRKESA-N 1 0 344.367 3.238 20 5 EGBDRO CC(C)([NH2+]Cc1ccc(S(C)(=O)=O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000546577473 458639949 /nfs/dbraw/zinc/63/99/49/458639949.db2.gz GWBMKYQSGSVPRT-UHFFFAOYSA-N 1 0 348.424 3.023 20 5 EGBDRO CCOc1ccc(NC(=O)C[N@H+](CC)CC(C)(C)C)c([N+](=O)[O-])c1 ZINC000463366562 458693466 /nfs/dbraw/zinc/69/34/66/458693466.db2.gz KUTDLWWWXDOICG-UHFFFAOYSA-N 1 0 337.420 3.300 20 5 EGBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2c2ccnc3c2cccc3[N+](=O)[O-])C1 ZINC000432340657 458720233 /nfs/dbraw/zinc/72/02/33/458720233.db2.gz NZDWFTVCLTUFJX-ZFWWWQNUSA-N 1 0 326.400 3.064 20 5 EGBDRO CC(C)c1ccc(CNCCC[N@@H+]2CCCO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000432349831 458722062 /nfs/dbraw/zinc/72/20/62/458722062.db2.gz YEKCVKYIDWFQCK-MRXNPFEDSA-N 1 0 349.475 3.309 20 5 EGBDRO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000471809591 458735359 /nfs/dbraw/zinc/73/53/59/458735359.db2.gz IMYJPALCMIOGMG-PWSUYJOCSA-N 1 0 336.775 3.463 20 5 EGBDRO Cc1sc(C(=O)NC[C@@H]2CCCC[N@H+]2CC(C)C)cc1[N+](=O)[O-] ZINC000439692490 458742124 /nfs/dbraw/zinc/74/21/24/458742124.db2.gz ISOLFDVSLLXHSN-ZDUSSCGKSA-N 1 0 339.461 3.205 20 5 EGBDRO CCC[C@@]1(C)CCC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000464842730 458781937 /nfs/dbraw/zinc/78/19/37/458781937.db2.gz KZSZXNWDWFDDGD-WMZOPIPTSA-N 1 0 336.432 3.237 20 5 EGBDRO C[N@H+](CCC(=O)N1CCc2c1cccc2[N+](=O)[O-])C1CCCCC1 ZINC000548061154 458830801 /nfs/dbraw/zinc/83/08/01/458830801.db2.gz GZALSPYAZCENEY-UHFFFAOYSA-N 1 0 331.416 3.139 20 5 EGBDRO CC(C)[N@@H+]1CCC[C@H](CNc2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000473518598 458832656 /nfs/dbraw/zinc/83/26/56/458832656.db2.gz MJKAZPRLYUVKBP-CQSZACIVSA-N 1 0 328.416 3.097 20 5 EGBDRO Cc1ccc(CCC2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)cc1 ZINC000530865675 458836498 /nfs/dbraw/zinc/83/64/98/458836498.db2.gz KCIJFAGUJCLVHN-UHFFFAOYSA-N 1 0 342.443 3.445 20 5 EGBDRO COc1ccc(OCC[N@H+](C)Cc2ccccc2OC)c([N+](=O)[O-])c1 ZINC000441183507 458896686 /nfs/dbraw/zinc/89/66/86/458896686.db2.gz XGCPPQLXJZWILQ-UHFFFAOYSA-N 1 0 346.383 3.123 20 5 EGBDRO Cc1ccccc1[C@@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000531988063 459012799 /nfs/dbraw/zinc/01/27/99/459012799.db2.gz JAZCXTXFUGGQDP-OAHLLOKOSA-N 1 0 326.400 3.181 20 5 EGBDRO CC(C)[N@H+](C)CC1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000556813540 459013742 /nfs/dbraw/zinc/01/37/42/459013742.db2.gz ZYGKSCWRKNEXQK-UHFFFAOYSA-N 1 0 341.402 3.425 20 5 EGBDRO C[C@@H](C(=O)N1CCC[N@H+](CC2CCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000520361941 459052221 /nfs/dbraw/zinc/05/22/21/459052221.db2.gz AIWSXTYOSSCNRR-OAHLLOKOSA-N 1 0 345.443 3.033 20 5 EGBDRO C[C@@H]([NH2+][C@H](COC(N)=O)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000496099005 459067098 /nfs/dbraw/zinc/06/70/98/459067098.db2.gz LBSCFUQQXXREEQ-CJNGLKHVSA-N 1 0 343.383 3.366 20 5 EGBDRO CCOc1ccc([C@@H](C)[NH2+][C@H]2c3ccccc3C[C@@H]2O)cc1[N+](=O)[O-] ZINC000594515666 459074479 /nfs/dbraw/zinc/07/44/79/459074479.db2.gz OZPLEHIPRNLQJT-LWLIDHTLSA-N 1 0 342.395 3.302 20 5 EGBDRO CCC[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@H]1CCc2ccccc2C1 ZINC000478437355 459092181 /nfs/dbraw/zinc/09/21/81/459092181.db2.gz ZXEJVWSBFJJTTN-KRWDZBQOSA-N 1 0 328.416 3.061 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CC[C@@H]4OCC[C@@H]4C3)o2)c1 ZINC000567502911 459116795 /nfs/dbraw/zinc/11/67/95/459116795.db2.gz POYQUYCZVPSTBE-PBHICJAKSA-N 1 0 328.368 3.466 20 5 EGBDRO C[C@H](C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])CC(F)(F)F ZINC000567693401 459147056 /nfs/dbraw/zinc/14/70/56/459147056.db2.gz RGNCTMCALRIUTK-JTQLQIEISA-N 1 0 333.310 3.102 20 5 EGBDRO CC[C@H](C)[C@@H](C)[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000532966499 459166573 /nfs/dbraw/zinc/16/65/73/459166573.db2.gz PSIJFSXXFCOZPE-UONOGXRCSA-N 1 0 333.432 3.457 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H]1C(C)(C)C ZINC000532970019 459168184 /nfs/dbraw/zinc/16/81/84/459168184.db2.gz UWXUNNCKGUGZHB-OAHLLOKOSA-N 1 0 335.404 3.052 20 5 EGBDRO CO[C@](C)(C[NH2+]Cc1cccc([N+](=O)[O-])c1)COCc1ccccc1 ZINC000594974900 459202259 /nfs/dbraw/zinc/20/22/59/459202259.db2.gz NCCJUIDIOMXBLN-LJQANCHMSA-N 1 0 344.411 3.306 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@H](CO)CC3CC3)cs2)c1 ZINC000594984372 459204795 /nfs/dbraw/zinc/20/47/95/459204795.db2.gz UHHGRLWOXSTSHP-CYBMUJFWSA-N 1 0 347.440 3.217 20 5 EGBDRO CC(C)O[C@@H]1C[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1(C)C ZINC000590756637 459206793 /nfs/dbraw/zinc/20/67/93/459206793.db2.gz DNURCXQUTRMAJX-HUUCEWRRSA-N 1 0 333.388 3.418 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](O)[C@@H](C)c1ccccc1 ZINC000594999494 459210079 /nfs/dbraw/zinc/21/00/79/459210079.db2.gz AJJDUFURVRCNGV-KBXCAEBGSA-N 1 0 344.411 3.248 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCc1cn2ccccc2n1 ZINC000595007254 459212433 /nfs/dbraw/zinc/21/24/33/459212433.db2.gz LGSBKKIVXOCMFX-CYBMUJFWSA-N 1 0 340.383 3.144 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H]1COc2ccccc2C1 ZINC000595017427 459216903 /nfs/dbraw/zinc/21/69/03/459216903.db2.gz VHTVHUDCWYGLLR-OCCSQVGLSA-N 1 0 328.368 3.258 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](C)[C@@H](O)Cc1ccccc1 ZINC000595022540 459219591 /nfs/dbraw/zinc/21/95/91/459219591.db2.gz MPPCNTVKDNTOHC-IYOUNJFTSA-N 1 0 344.411 3.246 20 5 EGBDRO CC[C@H](C)[C@@H](C)[N@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C1CC1 ZINC000533422404 459232626 /nfs/dbraw/zinc/23/26/26/459232626.db2.gz KFZQLSBWGFWBTJ-QWHCGFSZSA-N 1 0 349.431 3.441 20 5 EGBDRO CSCC1(CC[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000595066004 459234972 /nfs/dbraw/zinc/23/49/72/459234972.db2.gz ICVWMSDEGAYBCU-KBPBESRZSA-N 1 0 338.477 3.398 20 5 EGBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2c(C3CC3)cnn2C)cc1[N+](=O)[O-] ZINC000595078058 459238277 /nfs/dbraw/zinc/23/82/77/459238277.db2.gz SIQUYFSOWGAWRP-GFCCVEGCSA-N 1 0 344.415 3.455 20 5 EGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1COc2cc(F)ccc2C1 ZINC000595079140 459239634 /nfs/dbraw/zinc/23/96/34/459239634.db2.gz DEKARAKDXNGCHV-BBRMVZONSA-N 1 0 328.343 3.315 20 5 EGBDRO CO[C@H](C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)C1CCCC1 ZINC000595095032 459243203 /nfs/dbraw/zinc/24/32/03/459243203.db2.gz OOIDQUGKMYYPLI-ARFHVFGLSA-N 1 0 336.436 3.070 20 5 EGBDRO CC(C)(C)N1C[C@H](C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1=O ZINC000595098607 459244559 /nfs/dbraw/zinc/24/45/59/459244559.db2.gz CCLLRIIMYQLCDI-SUMWQHHRSA-N 1 0 345.443 3.209 20 5 EGBDRO CC(C)(C)OC(=O)NCCC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000496622926 459262929 /nfs/dbraw/zinc/26/29/29/459262929.db2.gz IFEVESKZRQZLBJ-AWEZNQCLSA-N 1 0 335.404 3.087 20 5 EGBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000581975506 459285050 /nfs/dbraw/zinc/28/50/50/459285050.db2.gz IGVNIHXKOZJKIH-CQSZACIVSA-N 1 0 335.448 3.109 20 5 EGBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000523332800 459289982 /nfs/dbraw/zinc/28/99/82/459289982.db2.gz ISIUFPPZEFMXAO-LBPRGKRZSA-N 1 0 347.440 3.270 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1C2CCCC1CCC2 ZINC000591015117 459294646 /nfs/dbraw/zinc/29/46/46/459294646.db2.gz YJBQJGJWZAQFOE-UHFFFAOYSA-N 1 0 347.415 3.339 20 5 EGBDRO C[C@H]1CC[N@H+](CCN[C@@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)C1 ZINC000582246046 459334475 /nfs/dbraw/zinc/33/44/75/459334475.db2.gz JNTVFVIDLYLZKA-FZMZJTMJSA-N 1 0 331.338 3.130 20 5 EGBDRO Cc1cc(N2CC[C@@H]3CC[NH2+][C@H]3C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000591439023 459380449 /nfs/dbraw/zinc/38/04/49/459380449.db2.gz QLEVQBSNZZCDEU-JQWIXIFHSA-N 1 0 329.322 3.110 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CCOC2(CCOCC2)C1 ZINC000560916452 459406623 /nfs/dbraw/zinc/40/66/23/459406623.db2.gz BATHBFRXXZPJOP-CABCVRRESA-N 1 0 334.416 3.282 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCOC2(CCOCC2)C1 ZINC000560916462 459406869 /nfs/dbraw/zinc/40/68/69/459406869.db2.gz BATHBFRXXZPJOP-HUUCEWRRSA-N 1 0 334.416 3.282 20 5 EGBDRO C[C@@H](CC[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000591730875 459425414 /nfs/dbraw/zinc/42/54/14/459425414.db2.gz SJHKNOWTFLQINN-RDJZCZTQSA-N 1 0 344.411 3.118 20 5 EGBDRO C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC[N@@H+]1C ZINC000485399427 459452302 /nfs/dbraw/zinc/45/23/02/459452302.db2.gz PGCPFWZTDPGBEW-SWLSCSKDSA-N 1 0 344.390 3.112 20 5 EGBDRO COc1ccc(OCC[NH2+][C@@H](C)c2cnn(C(C)C)c2)c([N+](=O)[O-])c1 ZINC000541645985 459476892 /nfs/dbraw/zinc/47/68/92/459476892.db2.gz RRABTSZAIKZPLJ-ZDUSSCGKSA-N 1 0 348.403 3.110 20 5 EGBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000569778409 459506286 /nfs/dbraw/zinc/50/62/86/459506286.db2.gz UMXQWUSVQVGXPR-YCPHGPKFSA-N 1 0 333.432 3.030 20 5 EGBDRO CO[C@H](C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000596065035 459506232 /nfs/dbraw/zinc/50/62/32/459506232.db2.gz APNJTSCGFFYBDA-QGZVFWFLSA-N 1 0 349.431 3.108 20 5 EGBDRO CCn1nccc1C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000596095992 459518815 /nfs/dbraw/zinc/51/88/15/459518815.db2.gz SQYWJJCNQFAHEX-YOEHRIQHSA-N 1 0 328.416 3.312 20 5 EGBDRO C[NH2+]C[C@@H](C)NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000596108763 459524504 /nfs/dbraw/zinc/52/45/04/459524504.db2.gz XXTPQYKVKXFZIK-GFCCVEGCSA-N 1 0 333.363 3.224 20 5 EGBDRO C[NH+](C)[C@]1(CNc2ccc(C(F)F)cc2[N+](=O)[O-])CCSC1 ZINC000596148827 459537399 /nfs/dbraw/zinc/53/73/99/459537399.db2.gz GYZJPGJNJFKRJQ-AWEZNQCLSA-N 1 0 331.388 3.382 20 5 EGBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000583442015 459538251 /nfs/dbraw/zinc/53/82/51/459538251.db2.gz PEUDKOCTVMPMJP-OLZOCXBDSA-N 1 0 343.383 3.243 20 5 EGBDRO C[NH+](C)[C@@H](CNc1cc[nH]c(=O)c1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000596154208 459540176 /nfs/dbraw/zinc/54/01/76/459540176.db2.gz YWTYZDXCLVZKBM-ZDUSSCGKSA-N 1 0 336.779 3.064 20 5 EGBDRO CCOc1ccc(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)cc1F ZINC000562347305 459543670 /nfs/dbraw/zinc/54/36/70/459543670.db2.gz UNHWFTVYRWNLQE-UHFFFAOYSA-N 1 0 334.347 3.301 20 5 EGBDRO COc1ccc(C[C@](C)([NH3+])CNc2cc(C)sc2[N+](=O)[O-])cc1 ZINC000596175974 459547711 /nfs/dbraw/zinc/54/77/11/459547711.db2.gz YKMBJXPNXFFKMR-INIZCTEOSA-N 1 0 335.429 3.345 20 5 EGBDRO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)Nc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596193479 459556534 /nfs/dbraw/zinc/55/65/34/459556534.db2.gz DGSKDPQRCMKPEJ-INIZCTEOSA-N 1 0 344.415 3.264 20 5 EGBDRO CC[C@H](C)[NH2+][C@@H](CNc1c(Cl)cncc1[N+](=O)[O-])c1ccco1 ZINC000596231276 459568318 /nfs/dbraw/zinc/56/83/18/459568318.db2.gz PCUZGRILFKVRSW-JQWIXIFHSA-N 1 0 338.795 3.199 20 5 EGBDRO CC[N@@H+]1C[C@H](C)N(C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000498230765 459575290 /nfs/dbraw/zinc/57/52/90/459575290.db2.gz BLIBYLRJEDJIMU-SOUVJXGZSA-N 1 0 348.447 3.088 20 5 EGBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000596467202 459647124 /nfs/dbraw/zinc/64/71/24/459647124.db2.gz OXGWOUWBQPRIFA-KRWDZBQOSA-N 1 0 340.427 3.051 20 5 EGBDRO O=[N+]([O-])c1cc2c(ncnc2N[C@@H]2CC[N@@H+](C3CCCCC3)C2)s1 ZINC000596479237 459651090 /nfs/dbraw/zinc/65/10/90/459651090.db2.gz NAUJPTDRCLEUAQ-LLVKDONJSA-N 1 0 347.444 3.418 20 5 EGBDRO O=[N+]([O-])c1cc2c(ncnc2N[C@H]2CC[N@@H+](C3CCCCC3)C2)s1 ZINC000596479238 459651258 /nfs/dbraw/zinc/65/12/58/459651258.db2.gz NAUJPTDRCLEUAQ-NSHDSACASA-N 1 0 347.444 3.418 20 5 EGBDRO CCc1cccc(OC[C@@H](O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000584486727 459753234 /nfs/dbraw/zinc/75/32/34/459753234.db2.gz ROPWTVAWXLPXEN-KDOFPFPSSA-N 1 0 344.411 3.248 20 5 EGBDRO C[NH+](C)CCc1ccc(NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])cc1 ZINC000593050623 459755645 /nfs/dbraw/zinc/75/56/45/459755645.db2.gz SMPCLHBJUYJZFS-UHFFFAOYSA-N 1 0 345.374 3.019 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000596837328 459774323 /nfs/dbraw/zinc/77/43/23/459774323.db2.gz FALRZHXFAUYYCL-CQSZACIVSA-N 1 0 348.447 3.454 20 5 EGBDRO C[NH+](C)CCc1ccccc1NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593135664 459784117 /nfs/dbraw/zinc/78/41/17/459784117.db2.gz FXZAQIYCXFOJLD-UHFFFAOYSA-N 1 0 345.374 3.019 20 5 EGBDRO C[C@@H](C(=O)N1CCC[N@@H+](C2CCCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000574856336 459882163 /nfs/dbraw/zinc/88/21/63/459882163.db2.gz NAWZVKUJSMRENX-OAHLLOKOSA-N 1 0 345.443 3.175 20 5 EGBDRO COc1ccc(-c2ccc(C[N@H+](C)C3(CO)CCC3)o2)c([N+](=O)[O-])c1 ZINC000597256258 459897796 /nfs/dbraw/zinc/89/77/96/459897796.db2.gz UMQCTTISXNLNSW-UHFFFAOYSA-N 1 0 346.383 3.210 20 5 EGBDRO COc1ccc(C2([NH2+]Cc3cccc([N+](=O)[O-])c3)CCOCC2)cc1 ZINC000609358093 459949943 /nfs/dbraw/zinc/94/99/43/459949943.db2.gz GIOHBEWOLDXFST-UHFFFAOYSA-N 1 0 342.395 3.399 20 5 EGBDRO C[C@H]1CCC[C@H](C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000602521493 459981549 /nfs/dbraw/zinc/98/15/49/459981549.db2.gz CCSYKIPZFGVXHR-GJZGRUSLSA-N 1 0 332.448 3.375 20 5 EGBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)CC[C@H]1CCC[NH2+]C1 ZINC000598664123 459984800 /nfs/dbraw/zinc/98/48/00/459984800.db2.gz GTWOZROGSYEVRH-OAHLLOKOSA-N 1 0 333.432 3.112 20 5 EGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]CC1(O)CCCCC1 ZINC000602529669 459985020 /nfs/dbraw/zinc/98/50/20/459985020.db2.gz XCRPJPNKNBOVHG-UHFFFAOYSA-N 1 0 332.322 3.398 20 5 EGBDRO CCC[C@@](C)(CO)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602544805 459990800 /nfs/dbraw/zinc/99/08/00/459990800.db2.gz CSGLVBKLDVPDAF-NSHDSACASA-N 1 0 337.239 3.060 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCc2nc3c(s2)CCCC3)cc1 ZINC000602548133 459991574 /nfs/dbraw/zinc/99/15/74/459991574.db2.gz XBWISMDGKNBSMR-UHFFFAOYSA-N 1 0 331.441 3.305 20 5 EGBDRO [NH3+][C@@]12CCC[C@@H]1CN(Cc1ccc(-c3ccccc3[N+](=O)[O-])o1)C2 ZINC000598719222 460004642 /nfs/dbraw/zinc/00/46/42/460004642.db2.gz MICWGGOGHPYHRN-FZKQIMNGSA-N 1 0 327.384 3.168 20 5 EGBDRO [NH3+][C@@]12CCC[C@@H]1CN(Cc1csc(-c3cccc([N+](=O)[O-])c3)n1)C2 ZINC000598717494 460005343 /nfs/dbraw/zinc/00/53/43/460005343.db2.gz GIAWJKUNASFHCD-CXAGYDPISA-N 1 0 344.440 3.032 20 5 EGBDRO C[C@@H]1C[C@H]([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CCO1 ZINC000602577113 460005453 /nfs/dbraw/zinc/00/54/53/460005453.db2.gz RYSQJLJOCDBMEI-HTQZYQBOSA-N 1 0 335.223 3.076 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CCCC[N@H+]1CC(C)C ZINC000618468287 460019785 /nfs/dbraw/zinc/01/97/85/460019785.db2.gz KOZXIVFATGAPGO-OAHLLOKOSA-N 1 0 333.432 3.144 20 5 EGBDRO CC[C@@]1([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CCOC1 ZINC000602633596 460034555 /nfs/dbraw/zinc/03/45/55/460034555.db2.gz ZKANMDKMXOJGMJ-LLVKDONJSA-N 1 0 335.223 3.078 20 5 EGBDRO C[C@H]1C[N@H+](Cc2ccccc2)CCN1c1ccc(F)cc1[N+](=O)[O-] ZINC000609914583 460039806 /nfs/dbraw/zinc/03/98/06/460039806.db2.gz NMSCJRKHKLIDCS-AWEZNQCLSA-N 1 0 329.375 3.445 20 5 EGBDRO CO[C@](C)(C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)C1CC1 ZINC000602674534 460060051 /nfs/dbraw/zinc/06/00/51/460060051.db2.gz DUWSCWONVYFNAV-GFCCVEGCSA-N 1 0 349.250 3.324 20 5 EGBDRO CC[C@@H](COCC(F)(F)F)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602673585 460057154 /nfs/dbraw/zinc/05/71/54/460057154.db2.gz LBABOHUZEDHYRT-VIFPVBQESA-N 1 0 347.293 3.183 20 5 EGBDRO CCC[C@H](CCO)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602725360 460088033 /nfs/dbraw/zinc/08/80/33/460088033.db2.gz QBFYVWIBAQWKPL-MRVPVSSYSA-N 1 0 337.239 3.060 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594075434 460089454 /nfs/dbraw/zinc/08/94/54/460089454.db2.gz XAAHTRKDOKCIAL-HOCLYGCPSA-N 1 0 346.431 3.350 20 5 EGBDRO [NH3+]C[C@H]1CC[C@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000598915176 460092192 /nfs/dbraw/zinc/09/21/92/460092192.db2.gz JHPJILNEAIFJJW-XYPYZODXSA-N 1 0 340.811 3.135 20 5 EGBDRO CC(C)[NH2+][C@@H]1CCCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000610275120 460102881 /nfs/dbraw/zinc/10/28/81/460102881.db2.gz FIQAXGVFYVNORY-LLVKDONJSA-N 1 0 329.347 3.163 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCC[C@@H]1[C@H](C)C[NH+](C)C ZINC000602755396 460108002 /nfs/dbraw/zinc/10/80/02/460108002.db2.gz FIDRGIBJWMKXLT-RHSMWYFYSA-N 1 0 348.447 3.487 20 5 EGBDRO COc1ccc2c(c1)C[C@@H](C)[N@@H+](CCn1c(C)ncc1[N+](=O)[O-])[C@H]2C ZINC000602807955 460138488 /nfs/dbraw/zinc/13/84/88/460138488.db2.gz XIZPHOUZDHDSGQ-OLZOCXBDSA-N 1 0 344.415 3.116 20 5 EGBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000610392398 460141029 /nfs/dbraw/zinc/14/10/29/460141029.db2.gz HOHZJRCZFWCFMG-DZGCQCFKSA-N 1 0 345.399 3.157 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000602813917 460142879 /nfs/dbraw/zinc/14/28/79/460142879.db2.gz AEULHLWMYQNDCL-SJORKVTESA-N 1 0 328.416 3.101 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000602826486 460146669 /nfs/dbraw/zinc/14/66/69/460146669.db2.gz BLVRAUQFNJJECA-KSZLIROESA-N 1 0 340.427 3.368 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000602826489 460147607 /nfs/dbraw/zinc/14/76/07/460147607.db2.gz BLVRAUQFNJJECA-RCCFBDPRSA-N 1 0 340.427 3.368 20 5 EGBDRO CN(CC[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21)CC(F)F ZINC000599095474 460159864 /nfs/dbraw/zinc/15/98/64/460159864.db2.gz VZHBULOAPWDIGU-OAHLLOKOSA-N 1 0 327.375 3.149 20 5 EGBDRO CC[C@@H](NC(=O)N[C@H](C)C1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000610530141 460178133 /nfs/dbraw/zinc/17/81/33/460178133.db2.gz MGEFUTNHCBLVKG-CXAGYDPISA-N 1 0 348.447 3.075 20 5 EGBDRO C[S@@](=O)c1ccc(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])cc1 ZINC000610575193 460187137 /nfs/dbraw/zinc/18/71/37/460187137.db2.gz MOLMZIKRWOCZJM-GXOSZSFXSA-N 1 0 330.409 3.135 20 5 EGBDRO CC[C@@](C)([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000602924235 460188043 /nfs/dbraw/zinc/18/80/43/460188043.db2.gz MLHXCCCNUBNOKW-GOSISDBHSA-N 1 0 345.374 3.248 20 5 EGBDRO Cc1cccc(C)c1OC[C@H](O)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000610804526 460240200 /nfs/dbraw/zinc/24/02/00/460240200.db2.gz ZABVZTFHZLAMOH-CRAIPNDOSA-N 1 0 344.411 3.302 20 5 EGBDRO COC(=O)[C@@H]1CN(Cc2ccc(F)cc2[N+](=O)[O-])Cc2ccccc21 ZINC000599676662 460307065 /nfs/dbraw/zinc/30/70/65/460307065.db2.gz GCWAOCZPFRXERE-MRXNPFEDSA-N 1 0 344.342 3.006 20 5 EGBDRO C[N@H+](CCCc1ccccc1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611254751 460318839 /nfs/dbraw/zinc/31/88/39/460318839.db2.gz FRWIYCBJINLUQP-UHFFFAOYSA-N 1 0 342.395 3.431 20 5 EGBDRO COC(=O)[C@@H]1CC12CC[NH+](Cc1ccc(C(C)C)c([N+](=O)[O-])c1)CC2 ZINC000611271973 460324206 /nfs/dbraw/zinc/32/42/06/460324206.db2.gz ZAEGGSWTSCAGSD-INIZCTEOSA-N 1 0 346.427 3.493 20 5 EGBDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)c1cccnc1[N+](=O)[O-] ZINC000611298566 460332020 /nfs/dbraw/zinc/33/20/20/460332020.db2.gz ROFDHJUAWGSZQZ-UHFFFAOYSA-N 1 0 341.415 3.128 20 5 EGBDRO Cc1c(C[NH+]2C[C@@H]3CN(c4ccccc4)C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000603864378 460350358 /nfs/dbraw/zinc/35/03/58/460350358.db2.gz BPUIQROFXQYRKD-QZTJIDSGSA-N 1 0 337.423 3.471 20 5 EGBDRO O=[N+]([O-])c1ncccc1NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000603869578 460351561 /nfs/dbraw/zinc/35/15/61/460351561.db2.gz XYJGMJXEBWWRLG-UHFFFAOYSA-N 1 0 330.363 3.205 20 5 EGBDRO CCC[C@@H]1CN(c2cccnc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000611415402 460359935 /nfs/dbraw/zinc/35/99/35/460359935.db2.gz YSMWDWNFQOAODB-QGZVFWFLSA-N 1 0 340.427 3.481 20 5 EGBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCc2[nH]cnc2C1 ZINC000599951186 460363452 /nfs/dbraw/zinc/36/34/52/460363452.db2.gz BCCQLUPQUIHMLD-UHFFFAOYSA-N 1 0 346.412 3.019 20 5 EGBDRO CCOc1ccc([C@@H](C)[NH2+]CCc2ccc(CO)cc2)cc1[N+](=O)[O-] ZINC000611439376 460364943 /nfs/dbraw/zinc/36/49/43/460364943.db2.gz CCSAHXBZCYDZBM-CQSZACIVSA-N 1 0 344.411 3.379 20 5 EGBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(CC)C1CC[NH+](C)CC1 ZINC000599985864 460367035 /nfs/dbraw/zinc/36/70/35/460367035.db2.gz MGYKAZPDMODJTA-INIZCTEOSA-N 1 0 347.459 3.106 20 5 EGBDRO C[N@@H+]1CC[C@@H]2CCN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)[C@@H]2C1 ZINC000611510227 460382520 /nfs/dbraw/zinc/38/25/20/460382520.db2.gz OWLLYWJGXCUVCW-RHSMWYFYSA-N 1 0 338.411 3.187 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCc2nc(C3CC3)ncc2C1 ZINC000600209578 460441486 /nfs/dbraw/zinc/44/14/86/460441486.db2.gz OJEGLSMVWKGXBV-HYXAFXHYSA-N 1 0 336.395 3.334 20 5 EGBDRO Cc1ccncc1[C@H](C)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000611940155 460492958 /nfs/dbraw/zinc/49/29/58/460492958.db2.gz VKPIYZWDZYHXJK-NSHDSACASA-N 1 0 348.790 3.241 20 5 EGBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+](C1CC1)C1CCCCC1 ZINC000612059104 460522953 /nfs/dbraw/zinc/52/29/53/460522953.db2.gz OXEUYORDLHVHTA-MRXNPFEDSA-N 1 0 334.416 3.132 20 5 EGBDRO CC(C)[NH+](CCCNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000617742535 460962557 /nfs/dbraw/zinc/96/25/57/460962557.db2.gz WZCFPKWEMRPNHS-OAHLLOKOSA-N 1 0 335.448 3.323 20 5 EGBDRO C[C@H]([NH2+]C1CCC(O)(c2cccnc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000186335091 533806429 /nfs/dbraw/zinc/80/64/29/533806429.db2.gz LUQFPIYEBUIYAS-STJZUHDESA-N 1 0 341.411 3.471 20 5 EGBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(OC(F)(F)F)cc1 ZINC000130984754 533876302 /nfs/dbraw/zinc/87/63/02/533876302.db2.gz SFEMWCQSPLAVBM-JTQLQIEISA-N 1 0 344.293 3.041 20 5 EGBDRO C[C@H]1C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000181950732 533945651 /nfs/dbraw/zinc/94/56/51/533945651.db2.gz AXXQOTVLLQDCLJ-QOKNQOGYSA-N 1 0 342.395 3.028 20 5 EGBDRO Cc1ccc(C[N@@H+]2CC[C@H](CNC(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000179738041 533950643 /nfs/dbraw/zinc/95/06/43/533950643.db2.gz PEQHTFFVIORWOU-OAHLLOKOSA-N 1 0 349.431 3.250 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000191333243 534055707 /nfs/dbraw/zinc/05/57/07/534055707.db2.gz YDDBPGBIXRJRRE-OAHLLOKOSA-N 1 0 346.431 3.161 20 5 EGBDRO C[C@H](c1cccnc1)[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000129531154 534148414 /nfs/dbraw/zinc/14/84/14/534148414.db2.gz SGRPIIXXILXSBO-GFCCVEGCSA-N 1 0 346.362 3.151 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000173108253 534318688 /nfs/dbraw/zinc/31/86/88/534318688.db2.gz KQPDVRNDOVXRAF-IYBDPMFKSA-N 1 0 347.459 3.391 20 5 EGBDRO NC(=O)c1ccc(C[NH+]2CCC(c3ccsc3)CC2)c([N+](=O)[O-])c1 ZINC000186957413 534482000 /nfs/dbraw/zinc/48/20/00/534482000.db2.gz NVDLLOQVSWHNNE-UHFFFAOYSA-N 1 0 345.424 3.135 20 5 EGBDRO CC(C)c1ccc(C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000189816431 528059453 /nfs/dbraw/zinc/05/94/53/528059453.db2.gz PNWPGQHODQCZLV-CQSZACIVSA-N 1 0 333.432 3.132 20 5 EGBDRO CCC[NH+]1CCC(N(C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000157718776 528192530 /nfs/dbraw/zinc/19/25/30/528192530.db2.gz JMUAVGYJCWUROV-UHFFFAOYSA-N 1 0 334.420 3.241 20 5 EGBDRO CCc1cccc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000346469767 535886458 /nfs/dbraw/zinc/88/64/58/535886458.db2.gz AEBVRADPGBUWFZ-INIZCTEOSA-N 1 0 326.400 3.239 20 5 EGBDRO CCc1ccc(C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000173452557 547000687 /nfs/dbraw/zinc/00/06/87/547000687.db2.gz ROTFDCHTJXHLRH-QGZVFWFLSA-N 1 0 345.443 3.248 20 5 EGBDRO CC[C@@H](C(=O)OCc1ccc(Cl)c([N+](=O)[O-])c1)[NH+](CC)CC ZINC000741931236 576734942 /nfs/dbraw/zinc/73/49/42/576734942.db2.gz CQUNSLGEPTZPCH-ZDUSSCGKSA-N 1 0 328.796 3.412 20 5 EGBDRO O=[N+]([O-])c1ccc2cnn(C[N@@H+]3CC[C@@H](Cc4ccccc4)C3)c2c1 ZINC000742152695 576752301 /nfs/dbraw/zinc/75/23/01/576752301.db2.gz KPXKDFCIMRAXTD-INIZCTEOSA-N 1 0 336.395 3.467 20 5 EGBDRO Cc1c(C[NH2+]C[C@@](C)(O)c2ccc(F)cc2F)cccc1[N+](=O)[O-] ZINC000873049586 1297247312 /nfs/dbraw/zinc/24/73/12/1297247312.db2.gz CLGLPFNJMZXEQZ-QGZVFWFLSA-N 1 0 336.338 3.179 20 5 EGBDRO CC(C)C[NH+](CC(C)C)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000059578425 1291915936 /nfs/dbraw/zinc/91/59/36/1291915936.db2.gz HRTALZJIAAVDNV-UHFFFAOYSA-N 1 0 331.420 3.425 20 5 EGBDRO C[C@@]1(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)CC1(Cl)Cl ZINC000829305205 1292560203 /nfs/dbraw/zinc/56/02/03/1292560203.db2.gz HLMKWDBCPDEHET-LBPRGKRZSA-N 1 0 333.219 3.012 20 5 EGBDRO Cc1c(C[N@@H+](C)C[C@]2(O)CCc3ccccc32)cccc1[N+](=O)[O-] ZINC000829327551 1292561949 /nfs/dbraw/zinc/56/19/49/1292561949.db2.gz RAVHLJQOYRJLGO-LJQANCHMSA-N 1 0 326.396 3.169 20 5 EGBDRO C[C@@H]([NH2+]C[C@@H](C)CNC(=O)OC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000090715570 1292805726 /nfs/dbraw/zinc/80/57/26/1292805726.db2.gz QAMILMXHWOTHOI-CHWSQXEVSA-N 1 0 337.420 3.406 20 5 EGBDRO CCN(CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)Cc1ccoc1 ZINC000102409411 1292976115 /nfs/dbraw/zinc/97/61/15/1292976115.db2.gz IJWYSKLYHNQIJV-UHFFFAOYSA-N 1 0 337.763 3.302 20 5 EGBDRO Cc1cc(Cl)c(C(=O)N[C@@H]2CCC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000832295759 1292984317 /nfs/dbraw/zinc/98/43/17/1292984317.db2.gz HKMXINDOGLDODJ-GFCCVEGCSA-N 1 0 339.823 3.159 20 5 EGBDRO CC[N@@H+]1CCCC[C@H]1C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000104221860 1293020983 /nfs/dbraw/zinc/02/09/83/1293020983.db2.gz WPQLYTKXGPCGIG-HNNXBMFYSA-N 1 0 339.823 3.081 20 5 EGBDRO C[C@@H]1[C@H](C)SCCN1Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000118381594 1293235058 /nfs/dbraw/zinc/23/50/58/1293235058.db2.gz KNAKORKBMLTCQN-OLZOCXBDSA-N 1 0 332.429 3.242 20 5 EGBDRO Cc1cc(F)cc(C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000150788217 1293894187 /nfs/dbraw/zinc/89/41/87/1293894187.db2.gz PGLMMVLPUFTZOC-HNNXBMFYSA-N 1 0 349.406 3.133 20 5 EGBDRO CC(C)(CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)[NH+]1CCCCC1 ZINC000154753376 1294069119 /nfs/dbraw/zinc/06/91/19/1294069119.db2.gz NSJPTZPLZFNCOI-UHFFFAOYSA-N 1 0 339.823 3.243 20 5 EGBDRO CC(C)[C@H]([NH3+])c1noc(-c2cc(Br)cc([N+](=O)[O-])c2)n1 ZINC000166147968 1294360958 /nfs/dbraw/zinc/36/09/58/1294360958.db2.gz COUCWGPLXQFORN-JTQLQIEISA-N 1 0 341.165 3.063 20 5 EGBDRO C[NH+](C)Cc1cccc(CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])c1 ZINC000175298563 1294548146 /nfs/dbraw/zinc/54/81/46/1294548146.db2.gz HLUREDDZIWYTBJ-UHFFFAOYSA-N 1 0 347.802 3.240 20 5 EGBDRO C[N@H+](CCc1ccc(Cl)cc1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000178862361 1294758015 /nfs/dbraw/zinc/75/80/15/1294758015.db2.gz GLCPRQCIKUNXHI-QGZVFWFLSA-N 1 0 334.803 3.456 20 5 EGBDRO C[C@@]1(O)CCCN(Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000230380202 1296162351 /nfs/dbraw/zinc/16/23/51/1296162351.db2.gz CDZSJIDJGYNPJZ-CQSZACIVSA-N 1 0 343.221 3.094 20 5 EGBDRO O=[N+]([O-])c1ccc2c(cnn2C[N@@H+]2CCS[C@H]3CCCC[C@H]32)c1 ZINC000245894673 1296329670 /nfs/dbraw/zinc/32/96/70/1296329670.db2.gz POLCMZIJOTWJET-CVEARBPZSA-N 1 0 332.429 3.262 20 5 EGBDRO O=[N+]([O-])c1ccc(SCc2nc(C3C[C@H]4CC[C@@H](C3)[NH2+]4)no2)cc1 ZINC000871792827 1296535115 /nfs/dbraw/zinc/53/51/15/1296535115.db2.gz NVBWPHXGACOXKN-YOGCLGLASA-N 1 0 346.412 3.268 20 5 EGBDRO C[NH2+][C@H](C)CNC(=O)c1ccc(SCCC(C)C)c([N+](=O)[O-])c1 ZINC000261661624 1296597422 /nfs/dbraw/zinc/59/74/22/1296597422.db2.gz FZQVWSIJUPHSLS-GFCCVEGCSA-N 1 0 339.461 3.071 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCN1CCSCC1 ZINC000872034329 1296683796 /nfs/dbraw/zinc/68/37/96/1296683796.db2.gz GUQMFBPTYLLTEY-LBPRGKRZSA-N 1 0 341.502 3.016 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCO[C@H]1CCOC1 ZINC000872043591 1296693085 /nfs/dbraw/zinc/69/30/85/1296693085.db2.gz ZMHIRPDDMKXGJA-OCCSQVGLSA-N 1 0 340.445 3.163 20 5 EGBDRO C[C@@H]([NH2+][C@@H]1CCOC[C@H]1O)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000872142202 1296764551 /nfs/dbraw/zinc/76/45/51/1296764551.db2.gz MMFRDRZVEXHGNM-UXIGCNINSA-N 1 0 348.424 3.124 20 5 EGBDRO Cc1c(C[NH2+]C[C@@]2(CO)C[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000873127757 1297285848 /nfs/dbraw/zinc/28/58/48/1297285848.db2.gz VCARMPJRNBCQHA-PKOBYXMFSA-N 1 0 326.396 3.159 20 5 EGBDRO CCN(Cc1ccc(C)cc1)Cn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000746028877 1298515587 /nfs/dbraw/zinc/51/55/87/1298515587.db2.gz LKMQOCVIDRYEFR-UHFFFAOYSA-N 1 0 341.367 3.291 20 5 EGBDRO C[C@H]1C[N@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C(C)(C)C1 ZINC000746677850 1298640626 /nfs/dbraw/zinc/64/06/26/1298640626.db2.gz GOFOILSVTBZTPG-SNVBAGLBSA-N 1 0 325.796 3.307 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCC[C@H](N2CCCCC2=O)C1 ZINC000876696916 1298927936 /nfs/dbraw/zinc/92/79/36/1298927936.db2.gz LZFOHRLSFDDSJM-INIZCTEOSA-N 1 0 345.443 3.189 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](C)[C@@H]1CCCc2c1cnn2C ZINC000876791035 1298990468 /nfs/dbraw/zinc/99/04/68/1298990468.db2.gz CUJJOEGYHMOBLQ-QGZVFWFLSA-N 1 0 328.416 3.455 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@H]2CCCc3ccccc32)c1 ZINC000749670294 1299253547 /nfs/dbraw/zinc/25/35/47/1299253547.db2.gz KOGHTDRSUXBFMN-QFBILLFUSA-N 1 0 326.396 3.338 20 5 EGBDRO CC[N@H+](CCc1ccccn1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000751468602 1299553986 /nfs/dbraw/zinc/55/39/86/1299553986.db2.gz LBCLBIDBXXQPKM-UHFFFAOYSA-N 1 0 326.356 3.196 20 5 EGBDRO COC(=O)CC[C@@H]1CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000877822643 1299588552 /nfs/dbraw/zinc/58/85/52/1299588552.db2.gz SYFYRUIIBDQDLO-PXTSUWAFSA-N 1 0 332.400 3.273 20 5 EGBDRO COC(=O)CC[C@@H]1CCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000877822641 1299588903 /nfs/dbraw/zinc/58/89/03/1299588903.db2.gz SYFYRUIIBDQDLO-KKTNHOPESA-N 1 0 332.400 3.273 20 5 EGBDRO CCN(CCC(F)(F)F)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878033505 1299716142 /nfs/dbraw/zinc/71/61/42/1299716142.db2.gz XWHOYFQACMROIL-UHFFFAOYSA-N 1 0 344.293 3.419 20 5 EGBDRO CC(C)C[C@@H]1CCC[N@@H+]1CN1CCN(c2ccccc2[N+](=O)[O-])C1=O ZINC000752789872 1299794150 /nfs/dbraw/zinc/79/41/50/1299794150.db2.gz QMIUZULEACUAEJ-HNNXBMFYSA-N 1 0 346.431 3.305 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)s1 ZINC000754675003 1300189147 /nfs/dbraw/zinc/18/91/47/1300189147.db2.gz ODXWJDWKJXVNEI-LBPRGKRZSA-N 1 0 345.424 3.205 20 5 EGBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000879529032 1300585081 /nfs/dbraw/zinc/58/50/81/1300585081.db2.gz GYDSHWYRHMRKRM-UPJWGTAASA-N 1 0 349.818 3.473 20 5 EGBDRO C[NH+](C)Cc1cccc(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000756992472 1300606489 /nfs/dbraw/zinc/60/64/89/1300606489.db2.gz CEINSUCSJPMGMF-UHFFFAOYSA-N 1 0 347.802 3.240 20 5 EGBDRO CC1(C)OCC([NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CO1 ZINC000757704294 1300715711 /nfs/dbraw/zinc/71/57/11/1300715711.db2.gz IZJKUBPDHJBGKX-CJNGLKHVSA-N 1 0 334.416 3.047 20 5 EGBDRO C[NH+](C)CCN(Cc1ccco1)c1nc2ccc([N+](=O)[O-])cc2s1 ZINC000759699510 1301143742 /nfs/dbraw/zinc/14/37/42/1301143742.db2.gz WFEYWPXMHQWTOS-UHFFFAOYSA-N 1 0 346.412 3.366 20 5 EGBDRO CC(C)[C@@H](CNCc1ccc([N+](=O)[O-])c(Cl)c1)[NH+]1CCCC1 ZINC000761521242 1301490292 /nfs/dbraw/zinc/49/02/92/1301490292.db2.gz KWAKYZJPVPTWCU-MRXNPFEDSA-N 1 0 325.840 3.458 20 5 EGBDRO Cc1cc(NCCC[N@@H+]2CCCO[C@@H](C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000763048410 1301812383 /nfs/dbraw/zinc/81/23/83/1301812383.db2.gz HLYYRFJJCAWRAS-ZDUSSCGKSA-N 1 0 341.839 3.469 20 5 EGBDRO COc1cc(NC[C@H]2CCCC[N@@H+]2C2CC2)c([N+](=O)[O-])cc1OC ZINC000764941125 1302173257 /nfs/dbraw/zinc/17/32/57/1302173257.db2.gz MXEJAYMIOCCYDV-CYBMUJFWSA-N 1 0 335.404 3.041 20 5 EGBDRO Cc1nn(C[N@H+](C)CCc2cccs2)c2ccc([N+](=O)[O-])cc12 ZINC000765038626 1302188173 /nfs/dbraw/zinc/18/81/73/1302188173.db2.gz MYDRYFAERQCBCL-UHFFFAOYSA-N 1 0 330.413 3.446 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+]CCNC(=O)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000765310605 1302243964 /nfs/dbraw/zinc/24/39/64/1302243964.db2.gz NDVJFXNLBZTGQC-CYBMUJFWSA-N 1 0 345.374 3.123 20 5 EGBDRO Cc1c([C@H](C)[NH2+]C2CCN(C[C@@H]3CCCO3)CC2)cccc1[N+](=O)[O-] ZINC000765976379 1302360504 /nfs/dbraw/zinc/36/05/04/1302360504.db2.gz OEOOBJLBKNFFNS-RDJZCZTQSA-N 1 0 347.459 3.197 20 5 EGBDRO CC[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1OC ZINC000766379461 1302440387 /nfs/dbraw/zinc/44/03/87/1302440387.db2.gz KUYJCBBSQOOJLZ-CQSZACIVSA-N 1 0 343.383 3.283 20 5 EGBDRO C[C@@H]1CN(c2ncc([N+](=O)[O-])c3ccccc32)CC[N@@H+](C2CCC2)C1 ZINC000884514432 1302892928 /nfs/dbraw/zinc/89/29/28/1302892928.db2.gz IIZZYTTYEFSHHI-AWEZNQCLSA-N 1 0 340.427 3.454 20 5 EGBDRO C[NH+]1CCC2(CCN(c3ncc([N+](=O)[O-])c4ccccc43)CC2)CC1 ZINC000884570545 1302914545 /nfs/dbraw/zinc/91/45/45/1302914545.db2.gz SARYHPIMONUPHJ-UHFFFAOYSA-N 1 0 340.427 3.455 20 5 EGBDRO O=[N+]([O-])c1ncccc1CN[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000886123004 1303363102 /nfs/dbraw/zinc/36/31/02/1303363102.db2.gz OZLLAWNBEHWUKY-GOSISDBHSA-N 1 0 340.427 3.307 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H](CO)C3CCCCC3)CC2)cc1 ZINC000773047439 1303614835 /nfs/dbraw/zinc/61/48/35/1303614835.db2.gz UYBKMPUPMSKQDG-LJQANCHMSA-N 1 0 347.459 3.094 20 5 EGBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)CCCC[NH+]1CCCC1)CC2 ZINC000773988679 1303761415 /nfs/dbraw/zinc/76/14/15/1303761415.db2.gz DHGQJCKNGUFWGB-UHFFFAOYSA-N 1 0 331.416 3.058 20 5 EGBDRO CS[C@H]1CN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)C[C@@H]1[NH+](C)C ZINC000774535634 1303824054 /nfs/dbraw/zinc/82/40/54/1303824054.db2.gz CDLJOGQLMHVBOH-STQMWFEESA-N 1 0 349.378 3.095 20 5 EGBDRO C[NH+](C)C1CCN(c2ccc(Nc3cccnc3[N+](=O)[O-])cc2)CC1 ZINC000774714191 1303852488 /nfs/dbraw/zinc/85/24/88/1303852488.db2.gz QTRHBBALSCUTRV-UHFFFAOYSA-N 1 0 341.415 3.264 20 5 EGBDRO CC(C)(C)OC(=O)NCCC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000774834421 1303864979 /nfs/dbraw/zinc/86/49/79/1303864979.db2.gz VNFOJDNLXMUGIC-UHFFFAOYSA-N 1 0 349.431 3.474 20 5 EGBDRO CCOc1ccc(C[N@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000776272771 1304125565 /nfs/dbraw/zinc/12/55/65/1304125565.db2.gz WALJNJZMBUDUMM-SFHVURJKSA-N 1 0 330.384 3.159 20 5 EGBDRO COc1ccc(CCC[N@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000776277976 1304126768 /nfs/dbraw/zinc/12/67/68/1304126768.db2.gz RTZCJBCHMBGJPC-IBGZPJMESA-N 1 0 344.411 3.201 20 5 EGBDRO Cc1ccccc1OCCC[N@@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776275930 1304126827 /nfs/dbraw/zinc/12/68/27/1304126827.db2.gz IRHLSHHLMNFIBB-GOSISDBHSA-N 1 0 344.411 3.338 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CC[C@@H](c3cccc(F)c3)C2)cc1 ZINC000776581639 1304174579 /nfs/dbraw/zinc/17/45/79/1304174579.db2.gz FQKXCCNMNQDTSR-CRAIPNDOSA-N 1 0 330.359 3.257 20 5 EGBDRO COc1ccccc1C[C@@H](C)[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776588590 1304176906 /nfs/dbraw/zinc/17/69/06/1304176906.db2.gz MICUMDXGJXDYCJ-RDTXWAMCSA-N 1 0 344.411 3.200 20 5 EGBDRO CC(C)([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)c(F)c1 ZINC000776604595 1304178845 /nfs/dbraw/zinc/17/88/45/1304178845.db2.gz CWJNYRRFMNXBIB-MRXNPFEDSA-N 1 0 336.338 3.431 20 5 EGBDRO CSc1cccc(C(=O)OCC[C@H]2CCCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000777074153 1304244582 /nfs/dbraw/zinc/24/45/82/1304244582.db2.gz JAJSFIRFARVKLA-GFCCVEGCSA-N 1 0 338.429 3.348 20 5 EGBDRO Cc1oc2ccccc2c1C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000777446110 1304297200 /nfs/dbraw/zinc/29/72/00/1304297200.db2.gz UPARJCHDQXAKEL-QGZVFWFLSA-N 1 0 326.352 3.473 20 5 EGBDRO COCC[N@H+](CC(C)C)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000777955369 1304372655 /nfs/dbraw/zinc/37/26/55/1304372655.db2.gz PSWMLWGJGMGFRW-UHFFFAOYSA-N 1 0 332.404 3.020 20 5 EGBDRO CNC(=O)C1([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCCC1 ZINC000779176915 1304539316 /nfs/dbraw/zinc/53/93/16/1304539316.db2.gz ULTHMKGGMDVXFD-UHFFFAOYSA-N 1 0 343.383 3.003 20 5 EGBDRO CN(CC[N@H+](C)C/C=C\c1ccccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000779597399 1304585556 /nfs/dbraw/zinc/58/55/56/1304585556.db2.gz SOKLEZPHOQXMJE-NTMALXAHSA-N 1 0 349.431 3.407 20 5 EGBDRO COc1c(O)ccc(C[NH2+][C@H]2CCC[C@H](SC)C2)c1[N+](=O)[O-] ZINC000892951079 1305623726 /nfs/dbraw/zinc/62/37/26/1305623726.db2.gz RJFOAHFZVRNUIS-RYUDHWBXSA-N 1 0 326.418 3.073 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C[C@@]1(O)CCc2ccccc21 ZINC000893180184 1305747894 /nfs/dbraw/zinc/74/78/94/1305747894.db2.gz CMJXVZFLLLALOW-KRWDZBQOSA-N 1 0 332.787 3.172 20 5 EGBDRO COc1c(O)ccc(C[N@H+](C)C[C@@H](C)c2nccs2)c1[N+](=O)[O-] ZINC000893535836 1305957404 /nfs/dbraw/zinc/95/74/04/1305957404.db2.gz PRNVYBAKUCMCBV-SNVBAGLBSA-N 1 0 337.401 3.001 20 5 EGBDRO COc1c(O)ccc(C[NH2+][C@H]2C[C@H](c3cccc(F)c3)C2)c1[N+](=O)[O-] ZINC000894217291 1306283669 /nfs/dbraw/zinc/28/36/69/1306283669.db2.gz SQMMTFUELJCURW-CTYIDZIISA-N 1 0 346.358 3.484 20 5 EGBDRO COc1c(O)ccc(CN2CCC[C@@H]2c2cccnc2)c1[N+](=O)[O-] ZINC000894447794 1308895021 /nfs/dbraw/zinc/89/50/21/1308895021.db2.gz HGNWTLOEDYRSEF-CQSZACIVSA-N 1 0 329.356 3.041 20 5 EGBDRO COc1c(O)ccc(C[NH2+]C[C@@H]2CCCCC2(F)F)c1[N+](=O)[O-] ZINC000894669214 1309014475 /nfs/dbraw/zinc/01/44/75/1309014475.db2.gz ZRSQPZJZHYPTHR-NSHDSACASA-N 1 0 330.331 3.224 20 5 EGBDRO CCOC(=O)C1(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCCC1 ZINC000792194818 1309141841 /nfs/dbraw/zinc/14/18/41/1309141841.db2.gz HSHDMWRDXQBOKE-CLFYSBASSA-N 1 0 332.400 3.321 20 5 EGBDRO C[C@H]1CN(C(=S)Nc2ccc([N+](=O)[O-])cc2)CC[N@@H+](C2CCC2)C1 ZINC000793294008 1309341510 /nfs/dbraw/zinc/34/15/10/1309341510.db2.gz OKYCFHJLUFZMSQ-CYBMUJFWSA-N 1 0 348.472 3.098 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CC[C@H]3CCCC[C@H]3O)CC2)cc1 ZINC000897536925 1310367965 /nfs/dbraw/zinc/36/79/65/1310367965.db2.gz YOAVFGVNOISLHZ-DNVCBOLYSA-N 1 0 347.459 3.094 20 5 EGBDRO C[N@H+](CCCOCc1ccccc1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000799200274 1310512500 /nfs/dbraw/zinc/51/25/00/1310512500.db2.gz FUCQUSPINXXCGW-IBGZPJMESA-N 1 0 344.411 3.167 20 5 EGBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)OCCC[NH+]1CCCC1 ZINC000800190007 1310697081 /nfs/dbraw/zinc/69/70/81/1310697081.db2.gz FXDPLFIJAJYGOX-UHFFFAOYSA-N 1 0 338.429 3.350 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)c1C ZINC000899018786 1310913109 /nfs/dbraw/zinc/91/31/09/1310913109.db2.gz BAUGEVQLENZXLG-INIZCTEOSA-N 1 0 345.443 3.063 20 5 EGBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H](O)c1ccc(Cl)cc1 ZINC000801602291 1310973388 /nfs/dbraw/zinc/97/33/88/1310973388.db2.gz ZXAHZHHXKCNBJY-KRWDZBQOSA-N 1 0 334.803 3.456 20 5 EGBDRO CC[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1F)NC(=O)OC(C)(C)C ZINC000824666351 1320275793 /nfs/dbraw/zinc/27/57/93/1320275793.db2.gz ICOXMQUAPRDORD-GFCCVEGCSA-N 1 0 341.383 3.127 20 5 EGBDRO O=[N+]([O-])c1cccc([N+](=O)[O-])c1NC1CC[NH+](C2CCCC2)CC1 ZINC000804534078 1317255971 /nfs/dbraw/zinc/25/59/71/1317255971.db2.gz MERJTVLHNIMWSO-UHFFFAOYSA-N 1 0 334.376 3.322 20 5 EGBDRO C[N@H+](CCNc1c([N+](=O)[O-])cccc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000804535104 1317256502 /nfs/dbraw/zinc/25/65/02/1317256502.db2.gz NWIUMWQOCSDWPT-UHFFFAOYSA-N 1 0 348.334 3.186 20 5 EGBDRO CC(=O)c1ccc(N(C)CCC[N@H+](C)Cc2ccco2)c([N+](=O)[O-])c1 ZINC000804840255 1317292026 /nfs/dbraw/zinc/29/20/26/1317292026.db2.gz CJVVGNGSATWNHH-UHFFFAOYSA-N 1 0 345.399 3.349 20 5 EGBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1c1nc2ccc([N+](=O)[O-])cc2s1 ZINC000804852538 1317294148 /nfs/dbraw/zinc/29/41/48/1317294148.db2.gz KDWMBOZHXGBBTF-RISCZKNCSA-N 1 0 332.429 3.268 20 5 EGBDRO CC(C(=O)N[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1)=C1CCCC1 ZINC001020064475 1317528040 /nfs/dbraw/zinc/52/80/40/1317528040.db2.gz UFHOXKCNIJFCMA-SHTZXODSSA-N 1 0 349.456 3.284 20 5 EGBDRO CCOc1ccc([C@@H](C)N[C@@H]2Cc3ccccc3[C@H]2[NH3+])cc1[N+](=O)[O-] ZINC000902439431 1317579188 /nfs/dbraw/zinc/57/91/88/1317579188.db2.gz RTUIRZMRBJLHGH-SMNXXWJPSA-N 1 0 341.411 3.269 20 5 EGBDRO CCc1ccc([C@@H]([NH2+]C[C@@H]2CCN2C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000903319480 1317687395 /nfs/dbraw/zinc/68/73/95/1317687395.db2.gz ZVPAIYXTPPDKMN-YJBOKZPZSA-N 1 0 329.400 3.133 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1COc2ccccc2[C@H]1O ZINC000808729547 1317725023 /nfs/dbraw/zinc/72/50/23/1317725023.db2.gz LUXAVEWEPOQSRX-ULFGMLNVSA-N 1 0 328.368 3.048 20 5 EGBDRO [NH3+]CC[C@H]1CCCCN1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000903750352 1317729537 /nfs/dbraw/zinc/72/95/37/1317729537.db2.gz YQHSYJRFPOJWTJ-LLVKDONJSA-N 1 0 342.237 3.061 20 5 EGBDRO O=C(CC[N@@H+]1CCC[C@H](C2CC2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000808776956 1317733448 /nfs/dbraw/zinc/73/34/48/1317733448.db2.gz QKEZQKBJINUWAU-ZDUSSCGKSA-N 1 0 335.379 3.185 20 5 EGBDRO Cc1c(CON=C(N)C[N@H+]2[C@H](C)CCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000809375403 1317806305 /nfs/dbraw/zinc/80/63/05/1317806305.db2.gz ZLNIGTGYZKPJAK-BETUJISGSA-N 1 0 334.420 3.165 20 5 EGBDRO COC(=O)c1cccc(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)c1 ZINC000809730227 1317881155 /nfs/dbraw/zinc/88/11/55/1317881155.db2.gz FPZXRZGFRYWJKR-UHFFFAOYSA-N 1 0 334.759 3.325 20 5 EGBDRO COc1ccc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000809734500 1317882786 /nfs/dbraw/zinc/88/27/86/1317882786.db2.gz IDXIRHGMECBORP-UHFFFAOYSA-N 1 0 335.791 3.222 20 5 EGBDRO C[C@@H]([NH2+][C@H]1CCCN(CC(C)(C)C)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000905852834 1318006758 /nfs/dbraw/zinc/00/67/58/1318006758.db2.gz NKDJYYDBXGWTII-CJNGLKHVSA-N 1 0 333.432 3.283 20 5 EGBDRO C[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000905852307 1318007010 /nfs/dbraw/zinc/00/70/10/1318007010.db2.gz HSADZQDVFGWKFV-LXTVHRRPSA-N 1 0 333.432 3.423 20 5 EGBDRO C[C@@H]([NH2+][C@@H](C)C(=O)N1[C@H](C)CCC[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000905852308 1318007240 /nfs/dbraw/zinc/00/72/40/1318007240.db2.gz HSADZQDVFGWKFV-TUVASFSCSA-N 1 0 333.432 3.423 20 5 EGBDRO C[C@H]1CC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccccc3[N+](=O)[O-])C2)CC1 ZINC001020952013 1318010469 /nfs/dbraw/zinc/01/04/69/1318010469.db2.gz ATGQDNIGGMWFPR-OTGFBMJZSA-N 1 0 345.443 3.158 20 5 EGBDRO CC(C(=O)N[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1)=C1CCCC1 ZINC001021957641 1318749463 /nfs/dbraw/zinc/74/94/63/1318749463.db2.gz UFHOXKCNIJFCMA-GASCZTMLSA-N 1 0 349.456 3.284 20 5 EGBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815565455 1319016070 /nfs/dbraw/zinc/01/60/70/1319016070.db2.gz OQUFZAIZNGJZLU-XGUBFFRZSA-N 1 0 334.464 3.194 20 5 EGBDRO C[C@@H]([NH2+][C@H]1CCOc2ccc(F)cc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815592862 1319024023 /nfs/dbraw/zinc/02/40/23/1319024023.db2.gz VAGXQECNQFAJKN-BMIGLBTASA-N 1 0 331.347 3.491 20 5 EGBDRO CCOc1cccc(CC[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000815597496 1319024985 /nfs/dbraw/zinc/02/49/85/1319024985.db2.gz XBPSDZRVMZQKQI-CYBMUJFWSA-N 1 0 329.400 3.469 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[N@@H+](C)C[C@H]1CC(C)C ZINC000930314226 1328831931 /nfs/dbraw/zinc/83/19/31/1328831931.db2.gz DFYVPOUNJCHGIM-OAHLLOKOSA-N 1 0 348.447 3.406 20 5 EGBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000916067472 1319597967 /nfs/dbraw/zinc/59/79/67/1319597967.db2.gz QXQRUEICNNNEPV-HKFHSAMXSA-N 1 0 345.443 3.092 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CC2(c3ccc(F)cc3)CCC2)cc1 ZINC000818989954 1319608487 /nfs/dbraw/zinc/60/84/87/1319608487.db2.gz RUUHKRCHFHUMSS-SFHVURJKSA-N 1 0 344.386 3.479 20 5 EGBDRO CCc1cccc2c1OCC[C@@H]2[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000818997629 1319610196 /nfs/dbraw/zinc/61/01/96/1319610196.db2.gz HLMGZPXRAQPUMR-ZWKOTPCHSA-N 1 0 342.395 3.304 20 5 EGBDRO CC(C)(C)[C@@H]1OCCC[C@H]1C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819079350 1319629659 /nfs/dbraw/zinc/62/96/59/1319629659.db2.gz CLTJGGMSSUIIPF-USXIJHARSA-N 1 0 336.432 3.059 20 5 EGBDRO O=[N+]([O-])c1ccccc1CC[NH2+]C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000819111370 1319637578 /nfs/dbraw/zinc/63/75/78/1319637578.db2.gz ONAYBTSPNMVXOX-INIZCTEOSA-N 1 0 338.766 3.253 20 5 EGBDRO CC[C@@H](C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)Oc1ccccc1F ZINC000819135715 1319644878 /nfs/dbraw/zinc/64/48/78/1319644878.db2.gz ZADDQKJVFFQDQM-DOTOQJQBSA-N 1 0 348.374 3.215 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CC2(c3ccc(F)cc3F)CC2)c1 ZINC000819193378 1319664496 /nfs/dbraw/zinc/66/44/96/1319664496.db2.gz GSAIMTMTYMXMAC-QGZVFWFLSA-N 1 0 348.349 3.228 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2CCCOc3c(F)cccc32)c1 ZINC000819213989 1319671456 /nfs/dbraw/zinc/67/14/56/1319671456.db2.gz NBLJOZDEHMHXIA-IAGOWNOFSA-N 1 0 346.358 3.271 20 5 EGBDRO COc1cccc([C@@H]2C[C@H]2C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000819368173 1319711426 /nfs/dbraw/zinc/71/14/26/1319711426.db2.gz NCKQBKCWBIWFJF-ZYSHUDEJSA-N 1 0 342.395 3.030 20 5 EGBDRO C[C@H]1CSC[C@@H]1[NH2+]Cc1c(Br)cccc1[N+](=O)[O-] ZINC000930456355 1328860176 /nfs/dbraw/zinc/86/01/76/1328860176.db2.gz SGVGMQNBGKRFIM-KWQFWETISA-N 1 0 331.235 3.198 20 5 EGBDRO CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC000821522293 1320019751 /nfs/dbraw/zinc/01/97/51/1320019751.db2.gz SNAUDJVBFLGWMR-INIZCTEOSA-N 1 0 334.420 3.226 20 5 EGBDRO CCOc1cc(C[N@H+](C)C[C@](C)(O)c2ccccc2)ccc1[N+](=O)[O-] ZINC000823607116 1320192064 /nfs/dbraw/zinc/19/20/64/1320192064.db2.gz YVPJUOIKXNGFHE-IBGZPJMESA-N 1 0 344.411 3.333 20 5 EGBDRO CN(CC[N@H+](C)C1CCCCC1)C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000824316131 1320247214 /nfs/dbraw/zinc/24/72/14/1320247214.db2.gz GNSVNBIVZASCAZ-UHFFFAOYSA-N 1 0 337.395 3.070 20 5 EGBDRO O=C(NC1CC[NH+](CC2CCCC2)CC1)c1cc([N+](=O)[O-])ccc1F ZINC000824410519 1320254885 /nfs/dbraw/zinc/25/48/85/1320254885.db2.gz RZNVNNMQLDDXAQ-UHFFFAOYSA-N 1 0 349.406 3.118 20 5 EGBDRO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000825041045 1320305711 /nfs/dbraw/zinc/30/57/11/1320305711.db2.gz ZREXGOKURSTJFA-YPMHNXCESA-N 1 0 326.780 3.070 20 5 EGBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)C1 ZINC000825624770 1320350683 /nfs/dbraw/zinc/35/06/83/1320350683.db2.gz ROWAUNWXLCNQEA-LBPRGKRZSA-N 1 0 339.823 3.018 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C(=O)NCCC2CC[NH+](C)CC2)cc1Cl ZINC000836558399 1320503338 /nfs/dbraw/zinc/50/33/38/1320503338.db2.gz UWICMSGJUSUYSG-UHFFFAOYSA-N 1 0 339.823 3.018 20 5 EGBDRO CC(C)[N@H+](CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C1CCC1 ZINC000839522339 1320932441 /nfs/dbraw/zinc/93/24/41/1320932441.db2.gz XCCHUTQNXWHLPE-UHFFFAOYSA-N 1 0 325.796 3.450 20 5 EGBDRO Cc1cc(-c2noc(C[C@H](C)[C@H]3CCC[NH2+]C3)n2)cc([N+](=O)[O-])c1 ZINC000843239113 1321495294 /nfs/dbraw/zinc/49/52/94/1321495294.db2.gz DHEHDEHKXXQHLP-STQMWFEESA-N 1 0 330.388 3.131 20 5 EGBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000843753477 1321544351 /nfs/dbraw/zinc/54/43/51/1321544351.db2.gz JAGQIBKLIDODBC-UHFFFAOYSA-N 1 0 337.395 3.037 20 5 EGBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCCCCC[NH+]1CCCC1 ZINC000843894749 1321556154 /nfs/dbraw/zinc/55/61/54/1321556154.db2.gz ITAILJWCSQOWNL-UHFFFAOYSA-N 1 0 337.395 3.038 20 5 EGBDRO CC(=O)Nc1ccc(-c2cccc(OCC[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000844229214 1321580433 /nfs/dbraw/zinc/58/04/33/1321580433.db2.gz PGUAGLISAHTXHT-UHFFFAOYSA-N 1 0 343.383 3.161 20 5 EGBDRO CC[C@H](C(=O)O[C@H](c1ccccc1F)[C@H](C)[N+](=O)[O-])[NH+](CC)CC ZINC000845873249 1321747519 /nfs/dbraw/zinc/74/75/19/1321747519.db2.gz CCLKFBDQAYNOKA-MAZHCROVSA-N 1 0 340.395 3.196 20 5 EGBDRO C[C@H](COC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)[NH+]1CCCCC1 ZINC000847963926 1321917609 /nfs/dbraw/zinc/91/76/09/1321917609.db2.gz VDBNZVFZLWYCRO-XOKHGSTOSA-N 1 0 332.400 3.116 20 5 EGBDRO CCC(C)(C)[NH+]1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000848301585 1321949928 /nfs/dbraw/zinc/94/99/28/1321949928.db2.gz LSVZVVPIVWFHLK-UHFFFAOYSA-N 1 0 339.823 3.195 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1cnn(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCO2)c1 ZINC000848487845 1321964574 /nfs/dbraw/zinc/96/45/74/1321964574.db2.gz YZSLNGYKLRLXLX-MSOLQXFVSA-N 1 0 342.399 3.059 20 5 EGBDRO CC(C)(C)OC(=O)NC(C)(C)C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000848530854 1321970301 /nfs/dbraw/zinc/97/03/01/1321970301.db2.gz HMXSTJFMMJSCTF-AWEZNQCLSA-N 1 0 349.431 3.475 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000850431358 1322248036 /nfs/dbraw/zinc/24/80/36/1322248036.db2.gz BNWRKYBOCSHMGT-LBPRGKRZSA-N 1 0 345.355 3.405 20 5 EGBDRO CCC1CCC([N@H+](C)Cn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1 ZINC000921047256 1322250080 /nfs/dbraw/zinc/25/00/80/1322250080.db2.gz XFGHNDURGHBYHZ-UHFFFAOYSA-N 1 0 333.388 3.361 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H](O)c1cccc(C)c1 ZINC000850445877 1322250208 /nfs/dbraw/zinc/25/02/08/1322250208.db2.gz JQKJMIJITCGHSN-GUYCJALGSA-N 1 0 330.384 3.296 20 5 EGBDRO C[C@H](CNC(=S)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(C)CC1 ZINC000921268742 1322283424 /nfs/dbraw/zinc/28/34/24/1322283424.db2.gz KMUQDSMVYLDDDY-CYBMUJFWSA-N 1 0 336.461 3.002 20 5 EGBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000931039036 1329034846 /nfs/dbraw/zinc/03/48/46/1329034846.db2.gz UYAFTKOBRSUBEI-QMTHXVAHSA-N 1 0 331.338 3.138 20 5 EGBDRO CCCN(CC[NH+]1CCCC1)C(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000925245708 1325095707 /nfs/dbraw/zinc/09/57/07/1325095707.db2.gz SXXZOVYODATQQY-OAHLLOKOSA-N 1 0 348.447 3.173 20 5 EGBDRO CC(C)CC[N@H+](Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1)C1CC1 ZINC000853490525 1325104322 /nfs/dbraw/zinc/10/43/22/1325104322.db2.gz WDJPAUFBWYSJDJ-UHFFFAOYSA-N 1 0 329.404 3.321 20 5 EGBDRO CC[C@H]1CCC[N@H+](Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)CC1 ZINC000853498294 1325104956 /nfs/dbraw/zinc/10/49/56/1325104956.db2.gz JAHLFCJOWNOCMZ-AWEZNQCLSA-N 1 0 329.404 3.323 20 5 EGBDRO CCCN(CC[NH+]1CCCCC1)C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000854430827 1325259384 /nfs/dbraw/zinc/25/93/84/1325259384.db2.gz MBCFTFWJFQKSJX-UHFFFAOYSA-N 1 0 337.395 3.072 20 5 EGBDRO Cc1c(CNc2cccc(OCC[NH+](C)C)c2)cccc1[N+](=O)[O-] ZINC000864005068 1329593559 /nfs/dbraw/zinc/59/35/59/1329593559.db2.gz YJYDJPLOHLIPJH-UHFFFAOYSA-N 1 0 329.400 3.456 20 5 EGBDRO C[C@H](C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])CC1(C)OCCO1 ZINC000865675152 1329728210 /nfs/dbraw/zinc/72/82/10/1329728210.db2.gz UOOPGAXIOSWWMY-NSHDSACASA-N 1 0 328.796 3.127 20 5 EGBDRO C[C@@H]([NH2+]C[C@@H]1CN(c2ccccc2)C(=O)O1)c1ccc([N+](=O)[O-])cc1 ZINC000932178342 1329791360 /nfs/dbraw/zinc/79/13/60/1329791360.db2.gz ZCKRDQJSTSVJBB-CXAGYDPISA-N 1 0 341.367 3.271 20 5 EGBDRO CC(C)C[C@H]1CN(C)CC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000933246330 1329874376 /nfs/dbraw/zinc/87/43/76/1329874376.db2.gz LYWOUIQEGZNBOM-KRWDZBQOSA-N 1 0 335.448 3.026 20 5 EGBDRO C[C@H](CCNC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000935358789 1330047365 /nfs/dbraw/zinc/04/73/65/1330047365.db2.gz BNIUJEVSUAHXKW-OLMNPRSZSA-N 1 0 345.443 3.079 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000935662738 1330069273 /nfs/dbraw/zinc/06/92/73/1330069273.db2.gz JHGCNHAJIBCOCY-AWEZNQCLSA-N 1 0 349.456 3.063 20 5 EGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC000866224320 1330080553 /nfs/dbraw/zinc/08/05/53/1330080553.db2.gz ZBZQYPDFMJEUGX-PIGZYNQJSA-N 1 0 336.338 3.127 20 5 EGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1nn(C)c2ccccc12 ZINC000866341495 1330098786 /nfs/dbraw/zinc/09/87/86/1330098786.db2.gz YIGLRTAQHMMVDY-GFCCVEGCSA-N 1 0 342.374 3.341 20 5 EGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1c(C2CC2)cnn1C ZINC000866390628 1330105692 /nfs/dbraw/zinc/10/56/92/1330105692.db2.gz OZSYODIXSXVRSG-LLVKDONJSA-N 1 0 332.379 3.066 20 5 EGBDRO C[C@@H]([NH2+]Cc1cc2c([nH]c1=O)CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000866640541 1330136843 /nfs/dbraw/zinc/13/68/43/1330136843.db2.gz IXOLGRHPRKAEMS-GFCCVEGCSA-N 1 0 327.384 3.425 20 5 EGBDRO C[C@@]1([NH3+])CCN(C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)C1 ZINC000868078064 1330246668 /nfs/dbraw/zinc/24/66/68/1330246668.db2.gz IITWCYBHPMRBHH-QGZVFWFLSA-N 1 0 349.456 3.193 20 5 EGBDRO C/C=C(\C)C(=O)N1CCC(C[N@H+](C)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001029953605 1341133436 /nfs/dbraw/zinc/13/34/36/1341133436.db2.gz DIYLDQHXZVUKSM-SYZQJQIISA-N 1 0 345.443 3.231 20 5 EGBDRO CC1(C)C[NH2+]CC[C@@H]1Oc1cccc([N+](=O)[O-])c1Br ZINC001218313564 1373593837 /nfs/dbraw/zinc/59/38/37/1373593837.db2.gz JKEOYKHHGAYKJY-NSHDSACASA-N 1 0 329.194 3.124 20 5 EGBDRO C=C/C(C)=C\CC(=O)N1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001202054922 1369677881 /nfs/dbraw/zinc/67/78/81/1369677881.db2.gz XRHZRYKIANEOGR-CHHVJCJISA-N 1 0 343.427 3.198 20 5 EGBDRO Cc1cc(N2CC[NH+](C)CC2)ccc1Nc1cccc([N+](=O)[O-])c1 ZINC001204469509 1370484619 /nfs/dbraw/zinc/48/46/19/1370484619.db2.gz SNTZDDZUVBUPJB-UHFFFAOYSA-N 1 0 326.400 3.399 20 5 EGBDRO CC/C=C(\C)C(=O)N1CCC(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001204662585 1370539336 /nfs/dbraw/zinc/53/93/36/1370539336.db2.gz OHWONADQHMARLG-SYZQJQIISA-N 1 0 345.443 3.279 20 5 EGBDRO Cc1ccc([C@H](C)NC(=O)N[C@@H]2CCCC[C@H]2[NH+](C)C)cc1[N+](=O)[O-] ZINC001116225523 1370863504 /nfs/dbraw/zinc/86/35/04/1370863504.db2.gz LSKOGHINDVLXHL-NUEKZKHPSA-N 1 0 348.447 3.136 20 5 EGBDRO CCN(C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC001122495991 1372260247 /nfs/dbraw/zinc/26/02/47/1372260247.db2.gz LOBZBOZAWLXKSR-UHFFFAOYSA-N 1 0 333.432 3.106 20 5 EGBDRO COc1ncc(Nc2ccccc2C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC001210138696 1372279562 /nfs/dbraw/zinc/27/95/62/1372279562.db2.gz VHLPDWKPPZJTCW-UHFFFAOYSA-N 1 0 328.372 3.338 20 5 EGBDRO Cc1ccc(Nc2cccc(CN3CC[NH+](C)CC3)c2)cc1[N+](=O)[O-] ZINC001213669997 1372942805 /nfs/dbraw/zinc/94/28/05/1372942805.db2.gz CLHODOGBWOGUFR-UHFFFAOYSA-N 1 0 340.427 3.394 20 5 EGBDRO Cc1ccc(Nc2ccccc2CN2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC001214171926 1373019006 /nfs/dbraw/zinc/01/90/06/1373019006.db2.gz PBEODRTXIRDNLE-UHFFFAOYSA-N 1 0 340.427 3.394 20 5 EGBDRO Cc1cc(Br)c(O[C@@H]2C[NH2+]CCC[C@H]2F)cc1[N+](=O)[O-] ZINC001217983753 1373525970 /nfs/dbraw/zinc/52/59/70/1373525970.db2.gz XTXVEZAWHHXHTD-ZWNOBZJWSA-N 1 0 347.184 3.135 20 5 EGBDRO C[C@@H]1CC[NH2+]CC[C@H]1Oc1cc([N+](=O)[O-])c(Br)cc1F ZINC001218025320 1373541272 /nfs/dbraw/zinc/54/12/72/1373541272.db2.gz SUDYJSKAPASGRZ-PRHODGIISA-N 1 0 347.184 3.263 20 5 EGBDRO C[C@H]1CC[NH2+]CC[C@H]1Oc1c(F)cc([N+](=O)[O-])cc1Br ZINC001218028079 1373542051 /nfs/dbraw/zinc/54/20/51/1373542051.db2.gz CKJLUGRAEONEPB-QPUJVOFHSA-N 1 0 347.184 3.263 20 5 EGBDRO O=[N+]([O-])c1cc(Br)ccc1OC1CC2(C1)CC[NH2+]CC2 ZINC001218103076 1373561163 /nfs/dbraw/zinc/56/11/63/1373561163.db2.gz OXBYZZZKRHGANM-UHFFFAOYSA-N 1 0 341.205 3.268 20 5 EGBDRO CC(C)(C)OC(=O)c1ccc([N+](=O)[O-])c(O[C@H]2CC[C@]23CC[NH2+]C3)c1 ZINC001218124022 1373565483 /nfs/dbraw/zinc/56/54/83/1373565483.db2.gz PHXKCEFYQJMJOQ-MAUKXSAKSA-N 1 0 348.399 3.071 20 5 EGBDRO C[C@@H](Oc1ccc2c(c1)C[NH2+]C2)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001218215686 1373579753 /nfs/dbraw/zinc/57/97/53/1373579753.db2.gz UXCFFIKNXSPSAS-SNVBAGLBSA-N 1 0 328.324 3.067 20 5 EGBDRO O=[N+]([O-])c1ccc(OC2CC3(C2)CCC[NH2+]C3)c(Br)c1 ZINC001218251848 1373583676 /nfs/dbraw/zinc/58/36/76/1373583676.db2.gz JEPFBVIWCSMHBY-UHFFFAOYSA-N 1 0 341.205 3.268 20 5 EGBDRO O=[N+]([O-])c1cc2nc(OC3CCC4(C[NH2+]C4)CC3)[nH]c2cc1Cl ZINC001218264401 1373586046 /nfs/dbraw/zinc/58/60/46/1373586046.db2.gz XERMBZUWIGDZMY-UHFFFAOYSA-N 1 0 336.779 3.036 20 5 EGBDRO CC1(C)C[NH2+]CC[C@H]1Oc1ccc2c(c1)oc1cc(O)ccc1c2=O ZINC001218315835 1373594499 /nfs/dbraw/zinc/59/44/99/1373594499.db2.gz MXRWTOGWPXWLJK-GOSISDBHSA-N 1 0 339.391 3.419 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2cccc(OCCO[C@H]3CC[NH2+]C3)c2)c1 ZINC001218393328 1373605929 /nfs/dbraw/zinc/60/59/29/1373605929.db2.gz KTCKIKICWMZGGG-SFHVURJKSA-N 1 0 328.368 3.019 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)c(Cl)cc1O[C@@H]1C[NH2+]CCC1(F)F ZINC001218449304 1373614753 /nfs/dbraw/zinc/61/47/53/1373614753.db2.gz TVQDKGCTKDUPLD-SNVBAGLBSA-N 1 0 327.114 3.278 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)cc(Br)c1O[C@@H]1C[C@H]2C[NH2+][C@@H]1C2 ZINC001218494078 1373625620 /nfs/dbraw/zinc/62/56/20/1373625620.db2.gz FZHLLKHDHGIXDM-PTHKFVFGSA-N 1 0 347.596 3.140 20 5 EGBDRO CC[C@H](C)[C@@H]([NH3+])CC(=O)n1c2ccccc2cc2c(=O)c(N)ccc1-2 ZINC001219255795 1373696014 /nfs/dbraw/zinc/69/60/14/1373696014.db2.gz LRXBBLLERRWQHG-LRDDRELGSA-N 1 0 337.423 3.092 20 5 EGBDRO C[NH+]1CCC2(CC[C@@H](COc3cc(Cl)ccc3[N+](=O)[O-])O2)CC1 ZINC001225710315 1375148221 /nfs/dbraw/zinc/14/82/21/1375148221.db2.gz JIRSCMYFBCPICG-ZDUSSCGKSA-N 1 0 340.807 3.270 20 5 EGBDRO C[NH+]1CCC2(CC[C@@H](COc3cccc([N+](=O)[O-])c3Cl)O2)CC1 ZINC001225785895 1375155581 /nfs/dbraw/zinc/15/55/81/1375155581.db2.gz MVRCONZNCDGNNW-LBPRGKRZSA-N 1 0 340.807 3.270 20 5 EGBDRO CC(C)[N@@H+]1CCC[C@@H](Oc2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC001225893485 1375170549 /nfs/dbraw/zinc/17/05/49/1375170549.db2.gz SEVLNTNJGNRVJA-LLVKDONJSA-N 1 0 333.310 3.260 20 5 EGBDRO Cc1ccnc(OC2CC[NH+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC001226115628 1375205169 /nfs/dbraw/zinc/20/51/69/1375205169.db2.gz GMXLZUVJCCZNPL-UHFFFAOYSA-N 1 0 327.384 3.342 20 5 EGBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(Br)cc1-c1cc[nH]n1 ZINC001226484148 1375266536 /nfs/dbraw/zinc/26/65/36/1375266536.db2.gz YSGAWJCLEMURBG-NSHDSACASA-N 1 0 339.257 3.313 20 5 EGBDRO C[C@H](C[N+](C)(C)C)Oc1ccc2c(n1)CCN(Cc1ccccc1)C2 ZINC001226742126 1375322981 /nfs/dbraw/zinc/32/29/81/1375322981.db2.gz CQXVVCHWXZKUAA-QGZVFWFLSA-N 1 0 340.491 3.113 20 5 EGBDRO CC[NH+]1CCC(Oc2cc(F)c(Br)cc2[N+](=O)[O-])CC1 ZINC001227286164 1375416128 /nfs/dbraw/zinc/41/61/28/1375416128.db2.gz LDPFXXOGMIIEPV-UHFFFAOYSA-N 1 0 347.184 3.360 20 5 EGBDRO CCOC(=O)c1ccc(Br)cc1O[C@H](C)C[N+](C)(C)C ZINC001227768505 1375473689 /nfs/dbraw/zinc/47/36/89/1375473689.db2.gz FBWBMIYPMAIGCX-LLVKDONJSA-N 1 0 345.257 3.099 20 5 EGBDRO CC(C)C1(C(=O)NC2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC001229124172 1375768031 /nfs/dbraw/zinc/76/80/31/1375768031.db2.gz CBTLTLLYYPWCJA-UHFFFAOYSA-N 1 0 345.443 3.112 20 5 EGBDRO CC[N@@H+]1CCC[C@H](Oc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC001229140930 1375773264 /nfs/dbraw/zinc/77/32/64/1375773264.db2.gz IPABVKKKTWJIAA-LBPRGKRZSA-N 1 0 329.194 3.220 20 5 EGBDRO CC[N@@H+]1CCC[C@@H](Oc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC001229140929 1375773668 /nfs/dbraw/zinc/77/36/68/1375773668.db2.gz IPABVKKKTWJIAA-GFCCVEGCSA-N 1 0 329.194 3.220 20 5 EGBDRO Cc1cc(O[C@H]2CC[C@H]([NH+]3CCOCC3)CC2)cc([N+](=O)[O-])c1C ZINC001230471365 1376034472 /nfs/dbraw/zinc/03/44/72/1376034472.db2.gz CZSWZLIKCAZQSL-WKILWMFISA-N 1 0 334.416 3.234 20 5 EGBDRO C[N@H+](CCCNC(=O)CC1CCCC1)Cc1ccccc1[N+](=O)[O-] ZINC001231379318 1376233975 /nfs/dbraw/zinc/23/39/75/1376233975.db2.gz PRHPVUKSNMWBFD-UHFFFAOYSA-N 1 0 333.432 3.113 20 5 EGBDRO O=C1CCC2(CC[NH+](Cc3ccc4ccc5cccnc5c4n3)CC2)N1 ZINC001232227305 1376419295 /nfs/dbraw/zinc/41/92/95/1376419295.db2.gz JHCTZSDMMYBOKU-UHFFFAOYSA-N 1 0 346.434 3.028 20 5 EGBDRO C[NH+]1CCC(CC(=O)n2c3ccccc3cc3c(=O)c(N)ccc2-3)CC1 ZINC001143359145 1378587138 /nfs/dbraw/zinc/58/71/38/1378587138.db2.gz BNHBZYAFRZGQIR-UHFFFAOYSA-N 1 0 349.434 3.061 20 5 EGBDRO C[C@H]1C[C@@H](Nc2ncnc3c(Cl)cc([N+](=O)[O-])cc23)CC[N@@H+]1C ZINC001327687696 1388583464 /nfs/dbraw/zinc/58/34/64/1388583464.db2.gz JRAWAALIODQAHR-UWVGGRQHSA-N 1 0 335.795 3.086 20 5 EGBDRO O=C(CCC1CCCCC1)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001149786453 1379445818 /nfs/dbraw/zinc/44/58/18/1379445818.db2.gz WCCBZGQINUHANQ-UHFFFAOYSA-N 1 0 333.432 3.161 20 5 EGBDRO CC1(C)CCC(C(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC001152842942 1379986342 /nfs/dbraw/zinc/98/63/42/1379986342.db2.gz GKTKNRNGUIHPEX-UHFFFAOYSA-N 1 0 339.461 3.079 20 5 EGBDRO Cc1ccc(-c2ccc(N[C@H]3CCC[C@@H]([NH3+])C3)nn2)cc1[N+](=O)[O-] ZINC001154987773 1380385911 /nfs/dbraw/zinc/38/59/11/1380385911.db2.gz NUDUJRDGKUVXHA-KGLIPLIRSA-N 1 0 327.388 3.042 20 5 EGBDRO Cc1cc(NC[C@H]2CCC[NH2+]C[C@H]2C)nc2ccc([N+](=O)[O-])cc12 ZINC001155023606 1380393195 /nfs/dbraw/zinc/39/31/95/1380393195.db2.gz FEGWTGYDYVWSOS-ZIAGYGMSSA-N 1 0 328.416 3.499 20 5 EGBDRO C[C@H]1C[NH2+]CCC[C@H]1CNc1nc(Cl)nc2ccc([N+](=O)[O-])cc21 ZINC001155025968 1380394010 /nfs/dbraw/zinc/39/40/10/1380394010.db2.gz QYNANFWNZWQADC-QWRGUYRKSA-N 1 0 349.822 3.239 20 5 EGBDRO C[C@@H]1C[NH2+]CCC[C@@H]1CNc1ccc(-c2ccc([N+](=O)[O-])cc2)nn1 ZINC001155028465 1380394544 /nfs/dbraw/zinc/39/45/44/1380394544.db2.gz ADYOGDLAMBWQKR-UKRRQHHQSA-N 1 0 341.415 3.099 20 5 EGBDRO O=C(NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CCCCCC1 ZINC001155573371 1380469928 /nfs/dbraw/zinc/46/99/28/1380469928.db2.gz QQFQNAKZDSPFGF-UHFFFAOYSA-N 1 0 333.432 3.161 20 5 EGBDRO O=[N+]([O-])c1cccc(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC001156316791 1380557324 /nfs/dbraw/zinc/55/73/24/1380557324.db2.gz ZCBDZHCNVVCULJ-YESZJQIVSA-N 1 0 338.411 3.312 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(NCC2C[NH+](Cc3ccccc3)C2)nc1Cl ZINC001156401354 1380571799 /nfs/dbraw/zinc/57/17/99/1380571799.db2.gz WOPVHYJFGPGHPP-UHFFFAOYSA-N 1 0 346.818 3.496 20 5 EGBDRO O=[N+]([O-])c1cc(F)cnc1NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC001156531111 1380589415 /nfs/dbraw/zinc/58/94/15/1380589415.db2.gz NFJCBZSFVSQLLT-INIZCTEOSA-N 1 0 330.363 3.378 20 5 EGBDRO C[C@H]1CCCC[N@@H+]1CCCNc1cnc2cc([N+](=O)[O-])ccc2n1 ZINC001156927530 1380730366 /nfs/dbraw/zinc/73/03/66/1380730366.db2.gz BHTXLYUGIGWLBL-ZDUSSCGKSA-N 1 0 329.404 3.214 20 5 EGBDRO O=C(NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C1=CCCCCC1 ZINC001157048952 1380761087 /nfs/dbraw/zinc/76/10/87/1380761087.db2.gz SPSYSADCMQLULR-UHFFFAOYSA-N 1 0 331.416 3.081 20 5 EGBDRO CC(C)Oc1nc(N2C[C@@H](CC[NH3+])c3ccccc32)ccc1[N+](=O)[O-] ZINC001157751412 1381021600 /nfs/dbraw/zinc/02/16/00/1381021600.db2.gz HIRUIJABNLGWRC-CYBMUJFWSA-N 1 0 342.399 3.361 20 5 EGBDRO CC(C)Oc1nc(N2C[C@H](CC[NH3+])c3ccccc32)ccc1[N+](=O)[O-] ZINC001157751413 1381021626 /nfs/dbraw/zinc/02/16/26/1381021626.db2.gz HIRUIJABNLGWRC-ZDUSSCGKSA-N 1 0 342.399 3.361 20 5 EGBDRO CC1(C)C[C@@H](Nc2ccc3[nH]cc([N+](=O)[O-])c3n2)C[C@@](C)(C[NH3+])C1 ZINC001158267325 1381178170 /nfs/dbraw/zinc/17/81/70/1381178170.db2.gz WNLWBCWWIHVDPZ-PIGZYNQJSA-N 1 0 331.420 3.427 20 5 EGBDRO [NH3+][C@@H](Cc1c2ccccc2cc2ccccc21)C(=O)N1C[C@@H]2C[C@@H]2C1 ZINC001158313918 1381196034 /nfs/dbraw/zinc/19/60/34/1381196034.db2.gz KBXCXOVFDYMZSW-FVJLSDCUSA-N 1 0 330.431 3.341 20 5 EGBDRO [NH3+]Cc1ccc2c(n1)N(c1ccc3ccc([N+](=O)[O-])cc3n1)CCC2 ZINC001158648670 1381336070 /nfs/dbraw/zinc/33/60/70/1381336070.db2.gz DSCANYNCIWIFJD-UHFFFAOYSA-N 1 0 335.367 3.081 20 5 EGBDRO C[C@]1(C[NH3+])CCCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)C1 ZINC001158685142 1381351926 /nfs/dbraw/zinc/35/19/26/1381351926.db2.gz WRJUGXRXUUNBJM-GOSISDBHSA-N 1 0 344.390 3.361 20 5 EGBDRO C[C@@H](Nc1ccc2ccc3ccc(Cl)nc3c2n1)[C@H]1C[NH2+]CCO1 ZINC001159499387 1381807865 /nfs/dbraw/zinc/80/78/65/1381807865.db2.gz PLXVCDPFRNOTOZ-BXUZGUMPSA-N 1 0 342.830 3.225 20 5 EGBDRO [NH3+][C@H]1CCCN(c2ccc(Nc3cc([N+](=O)[O-])ccc3F)cc2)C1 ZINC001159981705 1381957690 /nfs/dbraw/zinc/95/76/90/1381957690.db2.gz NEMCWGYAJINDBC-LBPRGKRZSA-N 1 0 330.363 3.405 20 5 EGBDRO [NH3+][C@@H]1CCCN(c2ccccc2Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC001159983709 1381958295 /nfs/dbraw/zinc/95/82/95/1381958295.db2.gz ZWVZZGYBBFRFGW-CYBMUJFWSA-N 1 0 330.363 3.405 20 5 EGBDRO Nc1ccc2n(-c3ccc4c(c3)C[NH2+]C4)c3ccccc3cc-2c1=O ZINC001160005000 1381965030 /nfs/dbraw/zinc/96/50/30/1381965030.db2.gz BNMZEWPOFVQUSQ-UHFFFAOYSA-N 1 0 327.387 3.281 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1Nc1cccc(F)c1N1CC[C@@H]([NH3+])C1 ZINC001160117516 1382001976 /nfs/dbraw/zinc/00/19/76/1382001976.db2.gz ZNQKFHHJDIVITQ-LLVKDONJSA-N 1 0 346.362 3.024 20 5 EGBDRO CC[NH+](CC)Cc1cccc(CNc2c(C)cncc2[N+](=O)[O-])c1 ZINC001328505378 1388766928 /nfs/dbraw/zinc/76/69/28/1388766928.db2.gz LJDJGGRKJFOSEO-UHFFFAOYSA-N 1 0 328.416 3.174 20 5 EGBDRO COc1cccc2c1c(C[NH3+])cn2-c1cc(Cl)cc([N+](=O)[O-])n1 ZINC001160763657 1382189344 /nfs/dbraw/zinc/18/93/44/1382189344.db2.gz LFTOTROQOAXMBZ-UHFFFAOYSA-N 1 0 332.747 3.054 20 5 EGBDRO [NH3+]Cc1cc2ccncc2n1-c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC001160963554 1382253399 /nfs/dbraw/zinc/25/33/99/1382253399.db2.gz UOTXIIJCSHYNPZ-UHFFFAOYSA-N 1 0 345.362 3.454 20 5 EGBDRO CN(CC1([NH+](C)C)CCC1)c1ncnc2c(Cl)cc([N+](=O)[O-])cc21 ZINC001328556747 1388774125 /nfs/dbraw/zinc/77/41/25/1388774125.db2.gz MJZRGKYZEYRQAL-UHFFFAOYSA-N 1 0 349.822 3.112 20 5 EGBDRO CCCSc1nc(Cl)c([N+](=O)[O-])c(NCCCC[NH+](C)C)n1 ZINC001161724403 1382489537 /nfs/dbraw/zinc/48/95/37/1382489537.db2.gz GQYQVMGSONVGCR-UHFFFAOYSA-N 1 0 347.872 3.294 20 5 EGBDRO O=[N+]([O-])c1cc2c(ncnc2N[C@@H]2CC[NH2+][C@H]2c2ccccc2)s1 ZINC001163212065 1382994221 /nfs/dbraw/zinc/99/42/21/1382994221.db2.gz SMQJBKRYQKRZOF-OCCSQVGLSA-N 1 0 341.396 3.115 20 5 EGBDRO [NH3+]Cc1ccc(-c2cn(-c3nc4ccccc4cc3[N+](=O)[O-])cn2)cc1 ZINC001163217811 1382995688 /nfs/dbraw/zinc/99/56/88/1382995688.db2.gz DJPKLNLTJRPAGS-UHFFFAOYSA-N 1 0 345.362 3.454 20 5 EGBDRO O=[N+]([O-])c1cc2ccccc2nc1NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC001163274604 1383010775 /nfs/dbraw/zinc/01/07/75/1383010775.db2.gz ZQOCRULOUIEZES-INIZCTEOSA-N 1 0 334.379 3.269 20 5 EGBDRO c1cnc2c(c1)cc(NC[C@H]1CO[C@]3(C1)CCC[NH2+]C3)c1cccnc12 ZINC001163284118 1383012519 /nfs/dbraw/zinc/01/25/19/1383012519.db2.gz KJASGEFKNQCOIF-BTYIYWSLSA-N 1 0 348.450 3.354 20 5 EGBDRO Cc1cc(Cl)c(NC[C@H]2CO[C@]3(C2)CCC[NH2+]C3)c([N+](=O)[O-])c1 ZINC001163290261 1383013445 /nfs/dbraw/zinc/01/34/45/1383013445.db2.gz YSRNYJCNRIPRSQ-LRDDRELGSA-N 1 0 339.823 3.127 20 5 EGBDRO CC(C)[N@@H+]1CC[C@H](Nc2cc(/C=C/N(C)C)c([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC001163367478 1383032733 /nfs/dbraw/zinc/03/27/33/1383032733.db2.gz ZIGAZBCHRLKWDG-YKNXIFKJSA-N 1 0 347.463 3.053 20 5 EGBDRO [NH3+]Cc1cc2cc(Cl)ccc2n1-c1cc([N+](=O)[O-])c2nccn2c1 ZINC001163898575 1383133855 /nfs/dbraw/zinc/13/38/55/1383133855.db2.gz QWACYWPPAKXDSQ-UHFFFAOYSA-N 1 0 341.758 3.299 20 5 EGBDRO C[C@]1(C[NH3+])CCCN(c2ccc(-c3ccc([N+](=O)[O-])cc3)nn2)CC1 ZINC001164248795 1383171383 /nfs/dbraw/zinc/17/13/83/1383171383.db2.gz UATHWSVNJJHNRT-SFHVURJKSA-N 1 0 341.415 3.007 20 5 EGBDRO C[C@@H]1CC[C@H](C[NH3+])CN1c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC001164475453 1383190508 /nfs/dbraw/zinc/19/05/08/1383190508.db2.gz ZZTDTHKJRPMFAT-ZIAGYGMSSA-N 1 0 326.400 3.220 20 5 EGBDRO CC1(C)CC(CC(=O)NCCC[NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001164483515 1383191562 /nfs/dbraw/zinc/19/15/62/1383191562.db2.gz NUAHSBCMMYYKEH-UHFFFAOYSA-N 1 0 339.461 3.079 20 5 EGBDRO O=[N+]([O-])c1cc2ccccc2nc1N1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001164611203 1383208418 /nfs/dbraw/zinc/20/84/18/1383208418.db2.gz CDCNDLOZZLTDNJ-KRWDZBQOSA-N 1 0 348.406 3.164 20 5 EGBDRO CC(C)(C)[NH+]1CCN(c2cc([N+](=O)[O-])cc3c(Cl)ncnc32)CC1 ZINC001165094930 1383227401 /nfs/dbraw/zinc/22/74/01/1383227401.db2.gz QVUPLNJQBLWVIW-UHFFFAOYSA-N 1 0 349.822 3.112 20 5 EGBDRO C[NH+](C)C[C@]12C[C@H]1CN(c1ccc([N+](=O)[O-])c(-c3ccccc3)n1)C2 ZINC001165182592 1383243102 /nfs/dbraw/zinc/24/31/02/1383243102.db2.gz KVCSMJMKALOWRE-KXBFYZLASA-N 1 0 338.411 3.045 20 5 EGBDRO O=[N+]([O-])/C=C\c1ccc(Nc2cccc(CN3CC[NH2+]CC3)c2)cc1 ZINC001165213233 1383249796 /nfs/dbraw/zinc/24/97/96/1383249796.db2.gz XHDNDWDBBUUVKA-FLIBITNWSA-N 1 0 338.411 3.083 20 5 EGBDRO CC(C)Oc1nc(N2CCCC[C@@H]2C2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC001165324543 1383273056 /nfs/dbraw/zinc/27/30/56/1383273056.db2.gz YISUWMPKKUZVOU-OAHLLOKOSA-N 1 0 348.447 3.136 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(N2C[C@H]3c4ccccc4C[NH2+][C@@H]3C2)nc1Cl ZINC001165350126 1383279802 /nfs/dbraw/zinc/27/98/02/1383279802.db2.gz OKRISLVEAIZVKE-UONOGXRCSA-N 1 0 344.802 3.027 20 5 EGBDRO COc1ccc([N+](=O)[O-])nc1NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC001166899564 1383496481 /nfs/dbraw/zinc/49/64/81/1383496481.db2.gz BYEDSPPMJDLSPG-OAHLLOKOSA-N 1 0 342.399 3.247 20 5 EGBDRO [NH3+]CCN(Cc1ccc(Cl)cc1Cl)c1cc([N+](=O)[O-])ccn1 ZINC001166908106 1383497605 /nfs/dbraw/zinc/49/76/05/1383497605.db2.gz MMUUZJSNAAMSOA-UHFFFAOYSA-N 1 0 341.198 3.262 20 5 EGBDRO O=[N+]([O-])c1c[nH]c2ccc(N3CC4(CC[NH2+]CC4)c4ccccc43)nc21 ZINC001167068940 1383532393 /nfs/dbraw/zinc/53/23/93/1383532393.db2.gz FADZPWHYBADKEF-UHFFFAOYSA-N 1 0 349.394 3.244 20 5 EGBDRO O=[N+]([O-])c1c(Cl)ccnc1N1CC2(CC[NH2+]CC2)c2ccccc21 ZINC001167070965 1383532481 /nfs/dbraw/zinc/53/24/81/1383532481.db2.gz KVGANAYNQZZJII-UHFFFAOYSA-N 1 0 344.802 3.416 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)nc(N2CC3(CC[NH2+]CC3)c3ccccc32)c1 ZINC001167072523 1383532980 /nfs/dbraw/zinc/53/29/80/1383532980.db2.gz XKLBKOFIYHBFEP-UHFFFAOYSA-N 1 0 344.802 3.416 20 5 EGBDRO CCCC[NH+](CCCC)CCNc1ncnc(Cl)c1[N+](=O)[O-] ZINC001167732191 1383724311 /nfs/dbraw/zinc/72/43/11/1383724311.db2.gz QRQFDZBSUHPVBF-UHFFFAOYSA-N 1 0 329.832 3.352 20 5 EGBDRO CC(C)(C)C(=O)NCCC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001167836262 1383754704 /nfs/dbraw/zinc/75/47/04/1383754704.db2.gz QNNXDFKNXIJNIQ-UHFFFAOYSA-N 1 0 333.432 3.017 20 5 EGBDRO [NH3+]CCc1cn(-c2cc([N+](=O)[O-])cc3cc[nH]c32)c2ccc(O)cc12 ZINC001167983485 1383786441 /nfs/dbraw/zinc/78/64/41/1383786441.db2.gz QUBPILGVCMVMRY-UHFFFAOYSA-N 1 0 336.351 3.227 20 5 EGBDRO NC(=[NH2+])N(c1ccc(F)cc1)c1cc2cccnc2c([N+](=O)[O-])c1 ZINC001167992554 1383789804 /nfs/dbraw/zinc/78/98/04/1383789804.db2.gz QHLWRUAPDPFYOD-UHFFFAOYSA-N 1 0 325.303 3.314 20 5 EGBDRO [NH3+]CC[C@@H]1CN(c2nc3c(cc2[N+](=O)[O-])CCCC3)c2ccccc21 ZINC001168544396 1383933960 /nfs/dbraw/zinc/93/39/60/1383933960.db2.gz OKYMENJEVREBSQ-CQSZACIVSA-N 1 0 338.411 3.453 20 5 EGBDRO COc1ccc(-c2nc(C[NH2+][C@@H]3CC[C@@H](C[N+](=O)[O-])C3)cs2)cc1 ZINC001168970969 1384074586 /nfs/dbraw/zinc/07/45/86/1384074586.db2.gz JIXXRMIKPJOBTM-TZMCWYRMSA-N 1 0 347.440 3.354 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CCc2ccc(OC(F)(F)F)cc2)C1 ZINC001168978126 1384076586 /nfs/dbraw/zinc/07/65/86/1384076586.db2.gz OOJXICNNVZZYNA-STQMWFEESA-N 1 0 332.322 3.163 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H](CCO)c2cccc3ccccc32)C1 ZINC001168978172 1384077316 /nfs/dbraw/zinc/07/73/16/1384077316.db2.gz PJTJQAUTUCHEHQ-IDHHARJASA-N 1 0 328.412 3.298 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H](Cc2ccccc2)c2nccs2)C1 ZINC001168980265 1384077356 /nfs/dbraw/zinc/07/73/56/1384077356.db2.gz CNBJKXYLUFHXDE-OAGGEKHMSA-N 1 0 331.441 3.462 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]C2(c3ccc(Br)cc3)CC2)C1 ZINC001168982891 1384078197 /nfs/dbraw/zinc/07/81/97/1384078197.db2.gz JEOXENLRCIIRCL-SMDDNHRTSA-N 1 0 339.233 3.473 20 5 EGBDRO N[C@@H](c1ccccc1)[C@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccccc1 ZINC001168985029 1384079472 /nfs/dbraw/zinc/07/94/72/1384079472.db2.gz CEUGXWKMYRNYNX-GEALJGNFSA-N 1 0 339.439 3.463 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CC[C@@H]2CCc3ccc4c(c32)CCO4)C1 ZINC001168984721 1384079538 /nfs/dbraw/zinc/07/95/38/1384079538.db2.gz QFUBFLPMSUYJDD-BPUTZDHNSA-N 1 0 330.428 3.076 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2cncn2Cc2cccc(Cl)c2)C1 ZINC001168992471 1384080737 /nfs/dbraw/zinc/08/07/37/1384080737.db2.gz JXNILFWZYACBAA-GDBMZVCRSA-N 1 0 348.834 3.120 20 5 EGBDRO O=C1CCCCCN1c1ccc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001168990839 1384081274 /nfs/dbraw/zinc/08/12/74/1384081274.db2.gz DUZIDSWKAKVSMO-IAGOWNOFSA-N 1 0 345.443 3.129 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2cncn2Cc2ccccc2Cl)C1 ZINC001168998166 1384082910 /nfs/dbraw/zinc/08/29/10/1384082910.db2.gz IWMPQCOIJLWNLW-ZFWWWQNUSA-N 1 0 348.834 3.120 20 5 EGBDRO COc1ccc([C@@H]2CSCC[N@@H+]2[C@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001169034223 1384094246 /nfs/dbraw/zinc/09/42/46/1384094246.db2.gz GDFHKDZXXZENHH-QRTARXTBSA-N 1 0 336.457 3.231 20 5 EGBDRO C[N@H+](Cc1cccc(OC(F)(F)F)c1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169053204 1384101116 /nfs/dbraw/zinc/10/11/16/1384101116.db2.gz IEIFUULFSQMAKO-QWHCGFSZSA-N 1 0 332.322 3.462 20 5 EGBDRO CCC(CC)(CC)C(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001169314404 1384135205 /nfs/dbraw/zinc/13/52/05/1384135205.db2.gz WIPIHHCEDYZWDP-UHFFFAOYSA-N 1 0 335.448 3.407 20 5 EGBDRO COc1ccc(C[C@@H](C)NC(=[NH2+])c2ccc(Cl)nc2)c([N+](=O)[O-])c1 ZINC001170296755 1384284395 /nfs/dbraw/zinc/28/43/95/1384284395.db2.gz IBESYIYZMNMDSZ-SNVBAGLBSA-N 1 0 348.790 3.198 20 5 EGBDRO COc1ccc(C[C@H](C)NC(=[NH2+])c2ccc(Cl)nc2)c([N+](=O)[O-])c1 ZINC001170296752 1384284633 /nfs/dbraw/zinc/28/46/33/1384284633.db2.gz IBESYIYZMNMDSZ-JTQLQIEISA-N 1 0 348.790 3.198 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+]C(C)(C)c2cccnc2)c([N+](=O)[O-])c1 ZINC001170299263 1384285043 /nfs/dbraw/zinc/28/50/43/1384285043.db2.gz UGPJGXBQXLVOIS-CYBMUJFWSA-N 1 0 329.400 3.454 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+]CC[C@@H](O)c2ccccc2)c([N+](=O)[O-])c1 ZINC001170308140 1384287870 /nfs/dbraw/zinc/28/78/70/1384287870.db2.gz LAKNABSCIVIHAF-AUUYWEPGSA-N 1 0 344.411 3.248 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+][C@H]2COCc3ccccc32)c([N+](=O)[O-])c1 ZINC001170312104 1384288531 /nfs/dbraw/zinc/28/85/31/1384288531.db2.gz CSVBXBFCIQIZRB-UGSOOPFHSA-N 1 0 342.395 3.396 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+]C[C@H](O)C2CCCCC2)c([N+](=O)[O-])c1 ZINC001170313520 1384288824 /nfs/dbraw/zinc/28/88/24/1384288824.db2.gz NRYXVOSKUDKZAZ-UGSOOPFHSA-N 1 0 336.432 3.065 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+]CCCCCCCCO)c([N+](=O)[O-])c1 ZINC001170317274 1384289296 /nfs/dbraw/zinc/28/92/96/1384289296.db2.gz DOCWDJRBORYCCB-HNNXBMFYSA-N 1 0 338.448 3.457 20 5 EGBDRO COc1ccc(C[C@@H](C)n2c(C[NH3+])cc3ccncc32)c([N+](=O)[O-])c1 ZINC001170317418 1384289369 /nfs/dbraw/zinc/28/93/69/1384289369.db2.gz IGUMDVUYRVDYPZ-GFCCVEGCSA-N 1 0 340.383 3.216 20 5 EGBDRO COc1ccc(F)c(C[NH2+][C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])c1 ZINC001170319634 1384290088 /nfs/dbraw/zinc/29/00/88/1384290088.db2.gz XQPBUSMFPMCSKR-GFCCVEGCSA-N 1 0 348.374 3.472 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+]Cc2cn(C3CCC3)cn2)c([N+](=O)[O-])c1 ZINC001170325192 1384291318 /nfs/dbraw/zinc/29/13/18/1384291318.db2.gz SSCYHSZLXLMFQU-ZDUSSCGKSA-N 1 0 344.415 3.246 20 5 EGBDRO CCOC1CCC([NH2+][C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC001170325579 1384291594 /nfs/dbraw/zinc/29/15/94/1384291594.db2.gz WEAJZYOYPMMJNF-JEYLPNPQSA-N 1 0 336.432 3.472 20 5 EGBDRO Cc1cnc(N(CC[NH3+])C23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-] ZINC001170626542 1384353382 /nfs/dbraw/zinc/35/33/82/1384353382.db2.gz GEVPZGJQLVMRPR-UHFFFAOYSA-N 1 0 330.432 3.032 20 5 EGBDRO Cc1c(F)cnc(N(CC[NH3+])C23CC4CC(CC(C4)C2)C3)c1[N+](=O)[O-] ZINC001170628899 1384354072 /nfs/dbraw/zinc/35/40/72/1384354072.db2.gz DNMJBLYESPFNJV-UHFFFAOYSA-N 1 0 348.422 3.171 20 5 EGBDRO CC(C)([NH3+])CNc1cc([N+](=O)[O-])cc2cc(Br)cnc21 ZINC001171193253 1384465470 /nfs/dbraw/zinc/46/54/70/1384465470.db2.gz VBJHHQAQXVAHHC-UHFFFAOYSA-N 1 0 339.193 3.055 20 5 EGBDRO [NH3+]Cc1ccc2cn(-c3ccc(C(F)(F)F)c([N+](=O)[O-])c3)nc2c1 ZINC001171325192 1384495211 /nfs/dbraw/zinc/49/52/11/1384495211.db2.gz YCBVHAITPOYTSA-UHFFFAOYSA-N 1 0 336.273 3.411 20 5 EGBDRO Cc1cc(C)c(C[NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)c(=O)[nH]1 ZINC001172895175 1384873248 /nfs/dbraw/zinc/87/32/48/1384873248.db2.gz ACOYTEHSGXFYOG-INIZCTEOSA-N 1 0 341.411 3.349 20 5 EGBDRO COc1ccc(N[C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)cc1C[NH3+] ZINC001172899886 1384874233 /nfs/dbraw/zinc/87/42/33/1384874233.db2.gz AHIZKMZQZLCBCK-MRXNPFEDSA-N 1 0 341.411 3.422 20 5 EGBDRO NC(=[NH2+])N(c1ccccc1F)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172900794 1384874362 /nfs/dbraw/zinc/87/43/62/1384874362.db2.gz FQUUUMXMKCUKNI-CQSZACIVSA-N 1 0 342.374 3.381 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH+]1CCC3(CCOC3)CC1)CC2 ZINC001172907061 1384875479 /nfs/dbraw/zinc/87/54/79/1384875479.db2.gz CHRVEBXUUBTPLQ-KRWDZBQOSA-N 1 0 330.428 3.345 20 5 EGBDRO CCN1CC[N@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C(C)(C)C1 ZINC001172913010 1384876853 /nfs/dbraw/zinc/87/68/53/1384876853.db2.gz OEGZERATEBUDCV-KRWDZBQOSA-N 1 0 331.460 3.258 20 5 EGBDRO CCOC(=O)[C@H]1CCCC[N@@H+]1[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172914263 1384877096 /nfs/dbraw/zinc/87/70/96/1384877096.db2.gz GBVPCYSBQIQZET-FUHWJXTLSA-N 1 0 346.427 3.260 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CCC[C@@H]1CN1CCCC1)CC2 ZINC001172915262 1384877661 /nfs/dbraw/zinc/87/76/61/1384877661.db2.gz MTTNJDRLVIECAR-UYAOXDASSA-N 1 0 343.471 3.402 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]Cc2ccc(C)nc2)c1F ZINC001173177634 1384931702 /nfs/dbraw/zinc/93/17/02/1384931702.db2.gz WGZDUVNASFIVGH-GFCCVEGCSA-N 1 0 333.363 3.167 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2CCC[C@@H](F)CC2)c1F ZINC001173178290 1384931804 /nfs/dbraw/zinc/93/18/04/1384931804.db2.gz AEDMUMSEFHKARF-VXGBXAGGSA-N 1 0 328.359 3.498 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]Cc2ncccc2C)c1F ZINC001173175610 1384931908 /nfs/dbraw/zinc/93/19/08/1384931908.db2.gz PYUKJJVECKIERA-GFCCVEGCSA-N 1 0 333.363 3.167 20 5 EGBDRO COc1ccc(C[NH2+][C@@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])cc1 ZINC001173179876 1384932307 /nfs/dbraw/zinc/93/23/07/1384932307.db2.gz RCTXRBNVSHALCR-LBPRGKRZSA-N 1 0 348.374 3.472 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2CC[C@@H](OC(C)C)C2)c1F ZINC001173190865 1384933595 /nfs/dbraw/zinc/93/35/95/1384933595.db2.gz AADTZDFUUCAXCE-CHWSQXEVSA-N 1 0 340.395 3.173 20 5 EGBDRO Cc1cc2c(cc1C[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1)OCCO2 ZINC001173210626 1384936213 /nfs/dbraw/zinc/93/62/13/1384936213.db2.gz MCWJFKRGFORRFK-AWEZNQCLSA-N 1 0 342.395 3.395 20 5 EGBDRO Cc1ccccc1C1([NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)COC1 ZINC001173221153 1384938132 /nfs/dbraw/zinc/93/81/32/1384938132.db2.gz KVDOXZFSGXTGLO-HNNXBMFYSA-N 1 0 326.396 3.350 20 5 EGBDRO Cc1c(F)cccc1[C@@H](CO)[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173221503 1384938504 /nfs/dbraw/zinc/93/85/04/1384938504.db2.gz NNOJMVBZSMTOLJ-KZULUSFZSA-N 1 0 332.375 3.297 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc(OC2COC2)cc1 ZINC001173219252 1384938586 /nfs/dbraw/zinc/93/85/86/1384938586.db2.gz ZYDSHXAPXQXSHV-CQSZACIVSA-N 1 0 342.395 3.093 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cc(OC2CCC2)ncn1 ZINC001173226566 1384939735 /nfs/dbraw/zinc/93/97/35/1384939735.db2.gz XTLXXJMZMWHWIQ-CYBMUJFWSA-N 1 0 342.399 3.037 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC1(C(=O)OC(C)(C)C)CC1 ZINC001173229284 1384940650 /nfs/dbraw/zinc/94/06/50/1384940650.db2.gz SFQVXDKNODEXSE-CYBMUJFWSA-N 1 0 334.416 3.237 20 5 EGBDRO CCC[N@H+]([C@@H](C)Cc1ccc([N+](=O)[O-])cc1)C1CCN(C(C)=O)CC1 ZINC001173234182 1384942231 /nfs/dbraw/zinc/94/22/31/1384942231.db2.gz PKLPNTAVXPYUOF-HNNXBMFYSA-N 1 0 347.459 3.249 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2cnc(C3CC3)nc2C1 ZINC001173238783 1384942731 /nfs/dbraw/zinc/94/27/31/1384942731.db2.gz YFQLXFAAKZIHRT-ZDUSSCGKSA-N 1 0 338.411 3.252 20 5 EGBDRO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001318406296 1385675464 /nfs/dbraw/zinc/67/54/64/1385675464.db2.gz GBYZHURRHHCAMG-STQMWFEESA-N 1 0 340.811 3.243 20 5 EGBDRO O=C(/C=C\C1CC1)NCCCCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001178109747 1386130519 /nfs/dbraw/zinc/13/05/19/1386130519.db2.gz KJKXPYCLIOQSPR-KHPPLWFESA-N 1 0 345.443 3.327 20 5 EGBDRO Cc1cccc(NC[C@@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2)n1 ZINC001337033572 1389241485 /nfs/dbraw/zinc/24/14/85/1389241485.db2.gz ZLSDBOSXRKPONR-KRWDZBQOSA-N 1 0 326.400 3.375 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+]CCC(=O)N2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC001337294692 1389296187 /nfs/dbraw/zinc/29/61/87/1389296187.db2.gz RTLXGSXFZXCPOL-UKRRQHHQSA-N 1 0 333.432 3.202 20 5 EGBDRO CO[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Br)CC1 ZINC001332847624 1390199935 /nfs/dbraw/zinc/19/99/35/1390199935.db2.gz GGCJMGQHRUKEJF-ZDUSSCGKSA-N 1 0 343.221 3.358 20 5 EGBDRO O=C(Nc1ccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1)C1CC1 ZINC001333336494 1390285728 /nfs/dbraw/zinc/28/57/28/1390285728.db2.gz CJKMIMBUOOYWRD-UHFFFAOYSA-N 1 0 339.395 3.276 20 5 EGBDRO Cc1cccn2cc(Cc3nnc(-c4cccc([N+](=O)[O-])c4)o3)nc12 ZINC001341332413 1390472620 /nfs/dbraw/zinc/47/26/20/1390472620.db2.gz VFOMSZJLGBRODT-UHFFFAOYSA-N 1 0 335.323 3.192 20 5 EGBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)C1 ZINC001343510188 1390719095 /nfs/dbraw/zinc/71/90/95/1390719095.db2.gz NXRKWVNJMUNYCD-AWEZNQCLSA-N 1 0 334.420 3.065 20 5 EGBDRO CCN(C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]C1 ZINC001343850796 1390740005 /nfs/dbraw/zinc/74/00/05/1390740005.db2.gz GCFNWFBGPAZMJC-CQSZACIVSA-N 1 0 333.432 3.106 20 5 EGBDRO CCC1(C(=O)N(C)C2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)CC1 ZINC001752308072 1440168874 /nfs/dbraw/zinc/16/88/74/1440168874.db2.gz KESAUIYAYFISCV-UHFFFAOYSA-N 1 0 345.443 3.208 20 5 EGBDRO CC[N@H+](CCNC(=O)C1C(C)(C)C1(C)C)Cc1ccc([N+](=O)[O-])cc1 ZINC001753080477 1440293473 /nfs/dbraw/zinc/29/34/73/1440293473.db2.gz XPMBSWBZADOWCR-UHFFFAOYSA-N 1 0 347.459 3.215 20 5 EGBDRO CC[N@H+](CCNC(=O)CC1CC(C)(C)C1)Cc1cccc([N+](=O)[O-])c1 ZINC001753087683 1440297382 /nfs/dbraw/zinc/29/73/82/1440297382.db2.gz NLTGZVXVUFAVNQ-UHFFFAOYSA-N 1 0 347.459 3.359 20 5 EGBDRO CN(CCC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)C1(C)CCCC1 ZINC001754387621 1440593983 /nfs/dbraw/zinc/59/39/83/1440593983.db2.gz STOSIDODPIVMRM-UHFFFAOYSA-N 1 0 339.461 3.175 20 5 EGBDRO CC1(NC(=O)C=C2CCC2)CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001754625277 1440646304 /nfs/dbraw/zinc/64/63/04/1440646304.db2.gz QJJRXTOQKYACHM-UHFFFAOYSA-N 1 0 343.427 3.176 20 5 EGBDRO CC1(C)CC(C(=O)NCC2([NH2+]Cc3ccc([N+](=O)[O-])cc3)CCC2)C1 ZINC001754980031 1440720991 /nfs/dbraw/zinc/72/09/91/1440720991.db2.gz NAGFFWUJAKXCML-UHFFFAOYSA-N 1 0 345.443 3.160 20 5 EGBDRO C=C/C(C)=C/CC(=O)NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCC1 ZINC001754985434 1440722587 /nfs/dbraw/zinc/72/25/87/1440722587.db2.gz RHQGSJYQBKNGGC-PJQLUOCWSA-N 1 0 343.427 3.246 20 5 EGBDRO O=[N+]([O-])c1cnc(Cl)cc1N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001165049711 721967118 /nfs/dbraw/zinc/96/71/18/721967118.db2.gz VTNMGQVNWBEBEF-CYBMUJFWSA-N 1 0 338.839 3.488 20 5 EGBDRO CC[NH+](CC)C1CCN(c2nc(C)cc(Cl)c2[N+](=O)[O-])CC1 ZINC001165053461 722002053 /nfs/dbraw/zinc/00/20/53/722002053.db2.gz NBTQAJXXHRTBFJ-UHFFFAOYSA-N 1 0 326.828 3.262 20 5 EGBDRO CC[NH+](CC)Cc1cccc(CNC(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000054032346 214212072 /nfs/dbraw/zinc/21/20/72/214212072.db2.gz KYOIMQWFGFLKRC-UHFFFAOYSA-N 1 0 341.411 3.367 20 5 EGBDRO Cc1c(NC(=O)[C@@H](C)[N@H+](C)CCc2cccs2)cccc1[N+](=O)[O-] ZINC000173756087 231024968 /nfs/dbraw/zinc/02/49/68/231024968.db2.gz SYLJFLBIBLAPEG-CYBMUJFWSA-N 1 0 347.440 3.466 20 5 EGBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)N1CCc2ccccc21 ZINC000056197270 214364987 /nfs/dbraw/zinc/36/49/87/214364987.db2.gz MCFPCBZQGKHMGQ-UONOGXRCSA-N 1 0 339.395 3.223 20 5 EGBDRO CC[C@@H](CSC)[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000129677380 529528107 /nfs/dbraw/zinc/52/81/07/529528107.db2.gz PSXNDDFIHOOUFX-NSHDSACASA-N 1 0 343.424 3.136 20 5 EGBDRO O=[N+]([O-])c1cc(Br)ccc1N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000049568929 214020088 /nfs/dbraw/zinc/02/00/88/214020088.db2.gz FJYVZQBSGKICOJ-QWHCGFSZSA-N 1 0 340.221 3.396 20 5 EGBDRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000178654989 232343211 /nfs/dbraw/zinc/34/32/11/232343211.db2.gz DHPLYQBJXKDEON-TZMCWYRMSA-N 1 0 335.404 3.255 20 5 EGBDRO CN(C(=O)C[NH2+]C1(c2ccccc2)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000104664763 219401400 /nfs/dbraw/zinc/40/14/00/219401400.db2.gz XOUAWDOGUMETHY-UHFFFAOYSA-N 1 0 339.395 3.227 20 5 EGBDRO C[C@@H](CCNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)[NH+]1CCCCC1 ZINC000345755511 295866026 /nfs/dbraw/zinc/86/60/26/295866026.db2.gz TWRGHIFSRIEWGF-ZDUSSCGKSA-N 1 0 344.415 3.070 20 5 EGBDRO C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)[C@H](c1ccccc1)[NH+](C)C ZINC000187194427 236143003 /nfs/dbraw/zinc/14/30/03/236143003.db2.gz HDZGYWQQUALHFZ-YVEFUNNKSA-N 1 0 345.374 3.155 20 5 EGBDRO C[C@H](c1ccccn1)[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000129532045 223066170 /nfs/dbraw/zinc/06/61/70/223066170.db2.gz DVGYITKATAEQEO-GFCCVEGCSA-N 1 0 346.362 3.151 20 5 EGBDRO CCOc1ccc([C@H](C)[NH2+][C@H](CO)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000130345780 223146204 /nfs/dbraw/zinc/14/62/04/223146204.db2.gz BWJMKZMEWPUIJR-YOEHRIQHSA-N 1 0 344.411 3.248 20 5 EGBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)CCc1cccs1 ZINC000072800582 216308110 /nfs/dbraw/zinc/30/81/10/216308110.db2.gz KADIPHLBKXNZHJ-LBPRGKRZSA-N 1 0 333.413 3.158 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000191333259 239047749 /nfs/dbraw/zinc/04/77/49/239047749.db2.gz YDDBPGBIXRJRRE-HNNXBMFYSA-N 1 0 346.431 3.161 20 5 EGBDRO C[NH+](C)[C@@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000225452277 241870566 /nfs/dbraw/zinc/87/05/66/241870566.db2.gz PZRJBNPIGKRFAE-ZYHUDNBSSA-N 1 0 329.347 3.481 20 5 EGBDRO Cc1ccc(C(=O)N2CCC(CCC[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000133064976 223385833 /nfs/dbraw/zinc/38/58/33/223385833.db2.gz WWSBOMYSFGAQRJ-UHFFFAOYSA-N 1 0 333.432 3.097 20 5 EGBDRO CCC[NH+]1CCC(Nc2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000231628777 242269208 /nfs/dbraw/zinc/26/92/08/242269208.db2.gz GKXJKUGZFLKTON-UHFFFAOYSA-N 1 0 343.225 3.039 20 5 EGBDRO Cc1ccc([C@@H]([NH3+])C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000262649040 245095661 /nfs/dbraw/zinc/09/56/61/245095661.db2.gz KSYZATXCPLAIRB-CXAGYDPISA-N 1 0 327.384 3.089 20 5 EGBDRO Cc1ccc([C@@H]([NH3+])C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000262649043 245094712 /nfs/dbraw/zinc/09/47/12/245094712.db2.gz KSYZATXCPLAIRB-SUMWQHHRSA-N 1 0 327.384 3.089 20 5 EGBDRO O=C(CCC[NH2+]Cc1cccc([N+](=O)[O-])c1)N1CCc2ccccc21 ZINC000111409328 220152552 /nfs/dbraw/zinc/15/25/52/220152552.db2.gz CTPFQTVUYOGJHR-UHFFFAOYSA-N 1 0 339.395 3.054 20 5 EGBDRO C[C@@H](Cn1cccn1)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000264945714 247072466 /nfs/dbraw/zinc/07/24/66/247072466.db2.gz IQQMNURVGZQHPU-LBPRGKRZSA-N 1 0 343.412 3.093 20 5 EGBDRO C[N@@H+]1CCCC12CCN(c1ccc([N+](=O)[O-])c(OC(F)F)c1)CC2 ZINC000378503875 169132536 /nfs/dbraw/zinc/13/25/36/169132536.db2.gz BYQSSFZOPYNDKG-UHFFFAOYSA-N 1 0 341.358 3.261 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000181695549 533222620 /nfs/dbraw/zinc/22/26/20/533222620.db2.gz NPKBURFQORNZGI-PVAVHDDUSA-N 1 0 332.400 3.041 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1CN[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185674858 533222708 /nfs/dbraw/zinc/22/27/08/533222708.db2.gz JRAODSGCPIJFKM-CABCVRRESA-N 1 0 347.459 3.346 20 5 EGBDRO Cc1ccnc(NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)c1[N+](=O)[O-] ZINC000119269507 221281006 /nfs/dbraw/zinc/28/10/06/221281006.db2.gz YWSXTABFKDCKSQ-AWEZNQCLSA-N 1 0 341.415 3.331 20 5 EGBDRO C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000178137074 533250752 /nfs/dbraw/zinc/25/07/52/533250752.db2.gz OMQRAEMTYVWOGP-GDBMZVCRSA-N 1 0 345.443 3.427 20 5 EGBDRO C[C@H](C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)[C@@H]([NH3+])c1ccccc1 ZINC000237424934 141002081 /nfs/dbraw/zinc/00/20/81/141002081.db2.gz MTDPGYLXKHEYFY-SUMWQHHRSA-N 1 0 341.411 3.282 20 5 EGBDRO C[C@H]([NH2+]C1CCN(C(=O)C(C)(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000237520844 141005973 /nfs/dbraw/zinc/00/59/73/141005973.db2.gz BQQWCCAVZQQNAH-ZDUSSCGKSA-N 1 0 333.432 3.283 20 5 EGBDRO CN(CCc1cccc([N+](=O)[O-])c1)Cc1ccn(-c2ccccc2)n1 ZINC000338362035 141107163 /nfs/dbraw/zinc/10/71/63/141107163.db2.gz VFDINFJERSTGBW-UHFFFAOYSA-N 1 0 336.395 3.455 20 5 EGBDRO COC1CCN(C(C)(C)C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000341255362 141145300 /nfs/dbraw/zinc/14/53/00/141145300.db2.gz FMTMVUBJWUKRQV-VURMDHGXSA-N 1 0 347.459 3.087 20 5 EGBDRO C[C@H]1CCCC[C@@H]1C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000346212182 141182067 /nfs/dbraw/zinc/18/20/67/141182067.db2.gz WSVDBHHJKSFTQG-DOTOQJQBSA-N 1 0 345.443 3.179 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCCC[NH+]1CCCCC1 ZINC000184479050 144093215 /nfs/dbraw/zinc/09/32/15/144093215.db2.gz UEKVYPWTEXYFOC-UHFFFAOYSA-N 1 0 334.420 3.209 20 5 EGBDRO Cn1ccnc1C[C@H]1CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000184731686 144098081 /nfs/dbraw/zinc/09/80/81/144098081.db2.gz UOZGWCGUFRWUIU-CDVVCGDMSA-N 1 0 340.427 3.296 20 5 EGBDRO CSc1cccc(C(=O)Nc2cc(C[NH+](C)C)ccn2)c1[N+](=O)[O-] ZINC000186707534 144142095 /nfs/dbraw/zinc/14/20/95/144142095.db2.gz PMHCNNKVZCSLDA-UHFFFAOYSA-N 1 0 346.412 3.026 20 5 EGBDRO O=[N+]([O-])c1cccc(OCC[NH2+][C@@H]2CCCc3c(O)cccc32)c1 ZINC000192364953 144173864 /nfs/dbraw/zinc/17/38/64/144173864.db2.gz XYPZHIMYJPZANF-QGZVFWFLSA-N 1 0 328.368 3.346 20 5 EGBDRO C[C@@H]1C[C@H](NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC[N@@H+]1C ZINC000344610650 144198290 /nfs/dbraw/zinc/19/82/90/144198290.db2.gz AYRUXAOPTKYLDT-ZIAGYGMSSA-N 1 0 329.400 3.427 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCCOC1CCOCC1 ZINC000344883015 144236371 /nfs/dbraw/zinc/23/63/71/144236371.db2.gz RZUBQHUDXNCAAD-QINSGFPZSA-N 1 0 334.416 3.173 20 5 EGBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000345524613 144248117 /nfs/dbraw/zinc/24/81/17/144248117.db2.gz GMFVSQLEQQLETJ-CHWSQXEVSA-N 1 0 339.411 3.074 20 5 EGBDRO COC[C@@H](C)[N@H+](C)Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000352285014 144322616 /nfs/dbraw/zinc/32/26/16/144322616.db2.gz CYTKNBFDVQVGTF-GFCCVEGCSA-N 1 0 334.372 3.330 20 5 EGBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](C)C2(CCC2)C1 ZINC000357025916 144326640 /nfs/dbraw/zinc/32/66/40/144326640.db2.gz QJCXZTFYEVHZDM-KBPBESRZSA-N 1 0 331.416 3.434 20 5 EGBDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1cncc(Br)c1 ZINC000341384830 155261990 /nfs/dbraw/zinc/26/19/90/155261990.db2.gz DNQGJTMQMWFRPX-UHFFFAOYSA-N 1 0 336.189 3.085 20 5 EGBDRO CC(C)[C@H](CNc1ncnc2sc([N+](=O)[O-])cc21)[NH+]1CCCC1 ZINC000341429285 155288286 /nfs/dbraw/zinc/28/82/86/155288286.db2.gz JWABYSDHMVPFPT-LBPRGKRZSA-N 1 0 335.433 3.132 20 5 EGBDRO CC[C@H]1CCCC[N@@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000117333260 152094151 /nfs/dbraw/zinc/09/41/51/152094151.db2.gz BTFAPTSFNFGDNB-ZDUSSCGKSA-N 1 0 333.388 3.157 20 5 EGBDRO C[C@@H]1CCC[C@H]([N@H+](C)CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000117335275 152095058 /nfs/dbraw/zinc/09/50/58/152095058.db2.gz WUEWNWJBQZWVGH-KGLIPLIRSA-N 1 0 347.415 3.403 20 5 EGBDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000117339096 152095075 /nfs/dbraw/zinc/09/50/75/152095075.db2.gz HOODXDCXBUPSGM-CHWSQXEVSA-N 1 0 333.388 3.156 20 5 EGBDRO CC(C)c1ccc(C[NH+]2CCC(Cn3cncn3)CC2)cc1[N+](=O)[O-] ZINC000189969648 153109207 /nfs/dbraw/zinc/10/92/07/153109207.db2.gz LKVNZHPGZQQUTR-UHFFFAOYSA-N 1 0 343.431 3.222 20 5 EGBDRO Cc1cc(NC[C@@H]2CCC[NH2+]C2)c(Br)cc1[N+](=O)[O-] ZINC000235900085 153450703 /nfs/dbraw/zinc/45/07/03/153450703.db2.gz IFQLKNTXSCJQSX-SNVBAGLBSA-N 1 0 328.210 3.077 20 5 EGBDRO CC(C)CCSc1ccc(C(=O)NCCCC[NH3+])cc1[N+](=O)[O-] ZINC000236601219 153454210 /nfs/dbraw/zinc/45/42/10/153454210.db2.gz CWUPYTJRRYMHOG-UHFFFAOYSA-N 1 0 339.461 3.202 20 5 EGBDRO Cc1c(CN2CC[NH+](Cc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000310313311 154141501 /nfs/dbraw/zinc/14/15/01/154141501.db2.gz UNQKGDUSDHKMIO-UHFFFAOYSA-N 1 0 325.412 3.221 20 5 EGBDRO COc1ccc(C[NH2+][C@H]2CCCC[C@H]2OC(F)F)cc1[N+](=O)[O-] ZINC000337305064 154273333 /nfs/dbraw/zinc/27/33/33/154273333.db2.gz QZRZINHFZTZOJG-WCQYABFASA-N 1 0 330.331 3.243 20 5 EGBDRO COc1cc(C[NH2+][C@H]2CCCC[C@H]2OC(F)F)ccc1[N+](=O)[O-] ZINC000337398619 154333431 /nfs/dbraw/zinc/33/34/31/154333431.db2.gz JOUHYZMMBSYMSC-WCQYABFASA-N 1 0 330.331 3.243 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(NCc2ccncc2OCCC[NH+](C)C)c1 ZINC000341028589 155126224 /nfs/dbraw/zinc/12/62/24/155126224.db2.gz DITNAEKLHIXWKF-UHFFFAOYSA-N 1 0 344.415 3.241 20 5 EGBDRO COc1cc(C[NH2+][C@H]2CC2(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000352748626 156460581 /nfs/dbraw/zinc/46/05/81/156460581.db2.gz MITXQWQQZHGZSB-ZDUSSCGKSA-N 1 0 330.331 3.135 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CC[C@@]3(CCOC3)C2)o1 ZINC000093820294 162030337 /nfs/dbraw/zinc/03/03/37/162030337.db2.gz YDIFRGAHFCIVLL-GOSISDBHSA-N 1 0 328.368 3.467 20 5 EGBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2CC[C@@H](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000248553727 163013393 /nfs/dbraw/zinc/01/33/93/163013393.db2.gz JSHZRWLQGOLKFQ-UKTARXLSSA-N 1 0 349.431 3.345 20 5 EGBDRO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000248889302 163043311 /nfs/dbraw/zinc/04/33/11/163043311.db2.gz IUPHHXPGRQOSOB-XJKSGUPXSA-N 1 0 334.416 3.349 20 5 EGBDRO CCO[C@H]1C[C@H]([N@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])C1(C)C ZINC000337256243 163182788 /nfs/dbraw/zinc/18/27/88/163182788.db2.gz SELVPMGXPPYQMQ-HOTGVXAUSA-N 1 0 349.431 3.059 20 5 EGBDRO CC[N@H+](C)[C@@H](C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000343771163 164031013 /nfs/dbraw/zinc/03/10/13/164031013.db2.gz SUIIIEHRAORVQP-RDTXWAMCSA-N 1 0 341.411 3.465 20 5 EGBDRO CC[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000343948613 164072058 /nfs/dbraw/zinc/07/20/58/164072058.db2.gz ZMTAGIVMIPMHJU-CQSZACIVSA-N 1 0 349.431 3.444 20 5 EGBDRO COC1CCN(C(C)(C)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000343977172 164075657 /nfs/dbraw/zinc/07/56/57/164075657.db2.gz KSCMKVJOAQVLKW-CQSZACIVSA-N 1 0 335.448 3.135 20 5 EGBDRO COc1cc(C[N@@H+]2CC[C@@H](C3CC3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000344038322 164088637 /nfs/dbraw/zinc/08/86/37/164088637.db2.gz UIDQWHRCCRTWKP-LLVKDONJSA-N 1 0 342.342 3.437 20 5 EGBDRO C[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1ccc(F)c2ccccc21 ZINC000344061296 164094241 /nfs/dbraw/zinc/09/42/41/164094241.db2.gz MQUDEEJVYHQVOJ-NSHDSACASA-N 1 0 328.347 3.471 20 5 EGBDRO CCO[C@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC)C12CCCC2 ZINC000344105807 164103809 /nfs/dbraw/zinc/10/38/09/164103809.db2.gz QEQNLNWROQAALH-IRXDYDNUSA-N 1 0 334.416 3.431 20 5 EGBDRO Cn1cc(C[NH2+]C[C@@H]2CCCCS2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000344325357 164157163 /nfs/dbraw/zinc/15/71/63/164157163.db2.gz LSXDKOUGSHWEFX-INIZCTEOSA-N 1 0 346.456 3.371 20 5 EGBDRO C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCCN1C ZINC000344370699 164165667 /nfs/dbraw/zinc/16/56/67/164165667.db2.gz YEMXDUUQXLNJIL-CXAGYDPISA-N 1 0 329.400 3.427 20 5 EGBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000344423332 164176172 /nfs/dbraw/zinc/17/61/72/164176172.db2.gz ITYFCXHKDDARFT-ZDUSSCGKSA-N 1 0 336.436 3.454 20 5 EGBDRO COc1ccc(-c2ccc(C[NH2+][C@@H](C)[C@@H]3CCOC3)o2)c([N+](=O)[O-])c1 ZINC000344597674 164196061 /nfs/dbraw/zinc/19/60/61/164196061.db2.gz CYPLYZQFIIISHW-QWHCGFSZSA-N 1 0 346.383 3.378 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1CN1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000344604689 164199013 /nfs/dbraw/zinc/19/90/13/164199013.db2.gz UBWCDQGHHIWPDU-DAYGRLMNSA-N 1 0 347.459 3.441 20 5 EGBDRO CCC1(CC)CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000346488279 164385739 /nfs/dbraw/zinc/38/57/39/164385739.db2.gz MVMAEZWJUHNDAC-UHFFFAOYSA-N 1 0 333.432 3.486 20 5 EGBDRO C[NH+](C)CCN(Cc1ccco1)c1nc2ccccc2cc1[N+](=O)[O-] ZINC000352356249 165360695 /nfs/dbraw/zinc/36/06/95/165360695.db2.gz LGOKVCDVCDZOOT-UHFFFAOYSA-N 1 0 340.383 3.304 20 5 EGBDRO C[C@@H]1CSC[C@@H]1[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000352819136 165513197 /nfs/dbraw/zinc/51/31/97/165513197.db2.gz XDBXRWDRNKKOEE-RISCZKNCSA-N 1 0 333.413 3.133 20 5 EGBDRO C[N@H+](Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)C1CC(O)C1 ZINC000355371586 166177316 /nfs/dbraw/zinc/17/73/16/166177316.db2.gz URXWGBIBMCLNTH-UHFFFAOYSA-N 1 0 346.358 3.481 20 5 EGBDRO C[NH+](C)[C@]1(CNc2ccc([N+](=O)[O-])cc2C(F)(F)F)CCSC1 ZINC000358995322 167031927 /nfs/dbraw/zinc/03/19/27/167031927.db2.gz DEGLVOYFVXZFGA-ZDUSSCGKSA-N 1 0 349.378 3.463 20 5 EGBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H](C(C)C)[NH+]1CCCCCC1 ZINC000359449040 167158926 /nfs/dbraw/zinc/15/89/26/167158926.db2.gz OWOUGKDWEPHAKX-OAHLLOKOSA-N 1 0 337.468 3.432 20 5 EGBDRO CC[C@H](C)[NH2+][C@H](CNC(=O)c1cccc([N+](=O)[O-])c1C)c1ccco1 ZINC000359549431 167189344 /nfs/dbraw/zinc/18/93/44/167189344.db2.gz WDJCSTANXFSSTD-SWLSCSKDSA-N 1 0 345.399 3.355 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCc2c[nH]nc2C1 ZINC000366827121 168145241 /nfs/dbraw/zinc/14/52/41/168145241.db2.gz WDMYFHHTAPKKHM-JQFCIGGWSA-N 1 0 340.427 3.176 20 5 EGBDRO COc1ccc(NC(=O)CC[NH+]2CCC3(CCC3)CC2)c([N+](=O)[O-])c1 ZINC000367600762 168248233 /nfs/dbraw/zinc/24/82/33/168248233.db2.gz ZTLAAIMWQMAIIS-UHFFFAOYSA-N 1 0 347.415 3.198 20 5 EGBDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000246290865 287274765 /nfs/dbraw/zinc/27/47/65/287274765.db2.gz DERGVIXOHYHNOW-HZPDHXFCSA-N 1 0 345.443 3.321 20 5 EGBDRO C[C@](O)(C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccsc1 ZINC000159890270 225297279 /nfs/dbraw/zinc/29/72/79/225297279.db2.gz YHGOSRBDRNFDTE-AEFFLSMTSA-N 1 0 346.452 3.475 20 5 EGBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000176190935 265161037 /nfs/dbraw/zinc/16/10/37/265161037.db2.gz VHFSRELAEUWEQX-GOEBONIOSA-N 1 0 348.447 3.138 20 5 EGBDRO CC[C@@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)CC[C@@H]1c1ccccc1 ZINC000176287615 265166729 /nfs/dbraw/zinc/16/67/29/265166729.db2.gz RTVSOYBPMWCLEX-WBVHZDCISA-N 1 0 328.416 3.307 20 5 EGBDRO C[NH2+]Cc1ccccc1NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000237114215 266225598 /nfs/dbraw/zinc/22/55/98/266225598.db2.gz OOEWVQULHLKSTD-UHFFFAOYSA-N 1 0 342.399 3.145 20 5 EGBDRO Cc1cccnc1[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000269621962 266327333 /nfs/dbraw/zinc/32/73/33/266327333.db2.gz BKCBVEMOAMXCQZ-IRXDYDNUSA-N 1 0 329.400 3.319 20 5 EGBDRO CC[N@@H+](Cc1ccc(OC)cc1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269644439 266332400 /nfs/dbraw/zinc/33/24/00/266332400.db2.gz DANCASNLDWJZTQ-SFHVURJKSA-N 1 0 330.384 3.159 20 5 EGBDRO COc1ccc(C[N@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1C ZINC000269662232 266335884 /nfs/dbraw/zinc/33/58/84/266335884.db2.gz QUPFRNLUHPHPAI-KRWDZBQOSA-N 1 0 330.384 3.077 20 5 EGBDRO COCC[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H](C)c1ccccc1 ZINC000269679011 266339213 /nfs/dbraw/zinc/33/92/13/266339213.db2.gz XTCGKEZSCVOPOE-DNVCBOLYSA-N 1 0 344.411 3.338 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC000269686855 266341984 /nfs/dbraw/zinc/34/19/84/266341984.db2.gz NLJXPOUIEDZSPF-OAHLLOKOSA-N 1 0 333.432 3.001 20 5 EGBDRO C[C@H]1CCC[N@H+](Cc2ccccc2CNc2ncc([N+](=O)[O-])cn2)C1 ZINC000273639281 267072561 /nfs/dbraw/zinc/07/25/61/267072561.db2.gz RTMIBXDQKPQCHY-AWEZNQCLSA-N 1 0 341.415 3.229 20 5 EGBDRO CC1CC[NH+]([C@H](CNc2ncc([N+](=O)[O-])cn2)c2cccs2)CC1 ZINC000273685570 267083534 /nfs/dbraw/zinc/08/35/34/267083534.db2.gz ZWPWRWRTWSRNLE-CQSZACIVSA-N 1 0 347.444 3.331 20 5 EGBDRO COc1cc(CN(C)C2CC[NH+](C(C)C)CC2)c([N+](=O)[O-])cc1F ZINC000274336313 267219222 /nfs/dbraw/zinc/21/92/22/267219222.db2.gz SLWDSBNFNPMAHA-UHFFFAOYSA-N 1 0 339.411 3.047 20 5 EGBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CCN(c2cccc(O)c2)CC1 ZINC000274963330 267311679 /nfs/dbraw/zinc/31/16/79/267311679.db2.gz AJPIDUPDZKXMEF-CQSZACIVSA-N 1 0 327.384 3.184 20 5 EGBDRO CCOCCOCC[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000276253374 267503758 /nfs/dbraw/zinc/50/37/58/267503758.db2.gz VQXXABDFIYJSBD-UHFFFAOYSA-N 1 0 348.399 3.340 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1C(=O)Nc1ccccc1CC[NH+](C)C ZINC000278396299 268003403 /nfs/dbraw/zinc/00/34/03/268003403.db2.gz VXRYITRHCIHTMJ-UHFFFAOYSA-N 1 0 327.384 3.260 20 5 EGBDRO Cc1ccc(CN2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000278439617 268013150 /nfs/dbraw/zinc/01/31/50/268013150.db2.gz VRGBHLUODUOPCW-TZMCWYRMSA-N 1 0 332.322 3.038 20 5 EGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000266269001 275033180 /nfs/dbraw/zinc/03/31/80/275033180.db2.gz QPWFTBMMMONWNI-GFCCVEGCSA-N 1 0 327.306 3.064 20 5 EGBDRO Cc1ccc([C@@H](CNC(=O)c2ccc(C)c([N+](=O)[O-])c2)[NH+](C)C)cc1 ZINC000010017916 275119252 /nfs/dbraw/zinc/11/92/52/275119252.db2.gz ZMYBLLYRHBWJDM-GOSISDBHSA-N 1 0 341.411 3.244 20 5 EGBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)COc1ccccc1 ZINC000064350118 275150468 /nfs/dbraw/zinc/15/04/68/275150468.db2.gz YWCKAFHMTZLMSK-SFHVURJKSA-N 1 0 344.411 3.245 20 5 EGBDRO CC(C)[C@@H](O)C1(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000271895415 275239356 /nfs/dbraw/zinc/23/93/56/275239356.db2.gz TVCSMYNPGJUQMR-SJLPKXTDSA-N 1 0 332.444 3.303 20 5 EGBDRO CC[NH+]1CCC(NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000279418392 275329710 /nfs/dbraw/zinc/32/97/10/275329710.db2.gz FLCXNDGBRRIZCJ-UHFFFAOYSA-N 1 0 331.338 3.188 20 5 EGBDRO COc1ccc(C[NH2+][C@H](C)[C@@H](OC)c2ccccc2)cc1[N+](=O)[O-] ZINC000279773625 275358418 /nfs/dbraw/zinc/35/84/18/275358418.db2.gz SPKSEWHQKGXIPI-FZKQIMNGSA-N 1 0 330.384 3.469 20 5 EGBDRO CCC(=O)c1ccc(N2CC[C@H](C[NH+](CC)CC)C2)c([N+](=O)[O-])c1 ZINC000280649739 275477470 /nfs/dbraw/zinc/47/74/70/275477470.db2.gz FJAFIRSJPIMLEO-CQSZACIVSA-N 1 0 333.432 3.356 20 5 EGBDRO CC(C)(COCc1ccccc1)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000281236781 275532671 /nfs/dbraw/zinc/53/26/71/275532671.db2.gz CSBBLZPHCTYHDR-SFHVURJKSA-N 1 0 344.411 3.213 20 5 EGBDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000282178774 275609137 /nfs/dbraw/zinc/60/91/37/275609137.db2.gz VPGPTHDDIHMDIN-OUJBWJOFSA-N 1 0 325.796 3.353 20 5 EGBDRO CCOc1cc(CN2C[C@@H]([NH+]3CCCC3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000285498174 275882654 /nfs/dbraw/zinc/88/26/54/275882654.db2.gz JBCYUEDEZZWMCA-ZBFHGGJFSA-N 1 0 333.432 3.052 20 5 EGBDRO CC(C)[N@@H+]1CCC[C@H](CNc2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000286493469 276007886 /nfs/dbraw/zinc/00/78/86/276007886.db2.gz ZPLRKSDMJQSGRG-LLVKDONJSA-N 1 0 335.433 3.132 20 5 EGBDRO CC(C)SCC[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000287074224 276079825 /nfs/dbraw/zinc/07/98/25/276079825.db2.gz OGSJLGFSXPNKFB-GFCCVEGCSA-N 1 0 325.434 3.043 20 5 EGBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000289247846 276310891 /nfs/dbraw/zinc/31/08/91/276310891.db2.gz NGZIIEWVOATETN-QGZVFWFLSA-N 1 0 345.424 3.025 20 5 EGBDRO COc1ccc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])cc1OC ZINC000289325521 276322066 /nfs/dbraw/zinc/32/20/66/276322066.db2.gz GFHHTJQOAYKWIV-UHFFFAOYSA-N 1 0 330.384 3.287 20 5 EGBDRO COC[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000289442099 276339533 /nfs/dbraw/zinc/33/95/33/276339533.db2.gz TYGIGPPHXKVPAP-STQMWFEESA-N 1 0 349.214 3.185 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000289783387 276393933 /nfs/dbraw/zinc/39/39/33/276393933.db2.gz RRLCKZVVXLDGFU-VFQAQYNWSA-N 1 0 344.333 3.387 20 5 EGBDRO CC[C@H]([NH2+][C@H]1COc2ccccc2[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000289855353 276406779 /nfs/dbraw/zinc/40/67/79/276406779.db2.gz BKKLHOGMXQFRQB-XYJFISCASA-N 1 0 328.368 3.130 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000289859753 276407660 /nfs/dbraw/zinc/40/76/60/276407660.db2.gz QXRAHLDXFFMTJT-CJNGLKHVSA-N 1 0 346.431 3.248 20 5 EGBDRO C[NH+](C)C[C@H]1CCN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000290023804 276435877 /nfs/dbraw/zinc/43/58/77/276435877.db2.gz PPCSIYXODWWPIX-SNVBAGLBSA-N 1 0 332.231 3.285 20 5 EGBDRO O=[N+]([O-])c1cccc(Cl)c1NCC1([NH+]2CCCC2)CCOCC1 ZINC000292494058 276808704 /nfs/dbraw/zinc/80/87/04/276808704.db2.gz MYDPWUJDSSPICK-UHFFFAOYSA-N 1 0 339.823 3.305 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000120605801 281259026 /nfs/dbraw/zinc/25/90/26/281259026.db2.gz WRPJYNBOFQNWRD-HZPDHXFCSA-N 1 0 347.459 3.229 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000194467667 302039176 /nfs/dbraw/zinc/03/91/76/302039176.db2.gz PABGELPCGSLOHD-MRXNPFEDSA-N 1 0 345.374 3.075 20 5 EGBDRO Cc1nc(N2CC[N@H+](Cc3ccccc3)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000413527461 309035966 /nfs/dbraw/zinc/03/59/66/309035966.db2.gz AXPHUBUUUMCVLU-CQSZACIVSA-N 1 0 326.400 3.009 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@@H]2CCCC[C@H]2O)o1 ZINC000077465204 307412328 /nfs/dbraw/zinc/41/23/28/307412328.db2.gz KTXLLELDUKZRSV-SUMWQHHRSA-N 1 0 330.384 3.496 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCC(=O)NC1CCCCC1 ZINC000128703418 307604414 /nfs/dbraw/zinc/60/44/14/307604414.db2.gz MYYZRFVRFCMKOQ-AWEZNQCLSA-N 1 0 333.432 3.393 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+][C@H]1CC[C@@H](CO)CC1 ZINC000130498536 307629802 /nfs/dbraw/zinc/62/98/02/307629802.db2.gz UNBAMJXZVSNLPK-UOVPBQLFSA-N 1 0 332.444 3.447 20 5 EGBDRO CCCN(CC[NH+](CC)CC)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000132434030 307657988 /nfs/dbraw/zinc/65/79/88/307657988.db2.gz BOPBWHHKITZHQX-UHFFFAOYSA-N 1 0 336.436 3.489 20 5 EGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](CO)c1ccc(F)cc1 ZINC000414282981 309070412 /nfs/dbraw/zinc/07/04/12/309070412.db2.gz DTYJCODFXMYQLW-CJNGLKHVSA-N 1 0 332.375 3.031 20 5 EGBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])[C@H]1Oc1ccccc1 ZINC000248539066 308005291 /nfs/dbraw/zinc/00/52/91/308005291.db2.gz AJVZYBAQRXHEOJ-QXAKKESOSA-N 1 0 342.395 3.309 20 5 EGBDRO COCC1(CC[NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)CCC1 ZINC000293035704 308092477 /nfs/dbraw/zinc/09/24/77/308092477.db2.gz ANUSEXDHKHYMCN-CQSZACIVSA-N 1 0 349.431 3.108 20 5 EGBDRO Cc1ccc(C[NH+]2CCC(CO)(c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000293894704 308172074 /nfs/dbraw/zinc/17/20/74/308172074.db2.gz KQCXXFDTMLNXFR-UHFFFAOYSA-N 1 0 340.423 3.429 20 5 EGBDRO COc1cc(C[NH2+]C[C@@H](C)CC(F)(F)F)c([N+](=O)[O-])cc1OC ZINC000414522783 309086182 /nfs/dbraw/zinc/08/61/82/309086182.db2.gz DOYLKUFLOVLWTB-VIFPVBQESA-N 1 0 336.310 3.290 20 5 EGBDRO CC[C@H](C)[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)OC ZINC000294749797 308253073 /nfs/dbraw/zinc/25/30/73/308253073.db2.gz ICUUXTKVTNWEJK-SUMWQHHRSA-N 1 0 346.431 3.146 20 5 EGBDRO Cc1cc(Cl)c(C(=O)NCC2([NH+](C)C)CCCC2)cc1[N+](=O)[O-] ZINC000294961866 308276445 /nfs/dbraw/zinc/27/64/45/308276445.db2.gz WRYIVCQQWGLAJF-UHFFFAOYSA-N 1 0 339.823 3.161 20 5 EGBDRO C[C@H]1C[NH2+]CCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000414656869 309094043 /nfs/dbraw/zinc/09/40/43/309094043.db2.gz NTFFGVMUUJQRGD-NSHDSACASA-N 1 0 335.791 3.302 20 5 EGBDRO CC(C)(CCc1nc(-c2ccc(C[NH+]3CCCC3)cc2)no1)[N+](=O)[O-] ZINC000296026716 308386245 /nfs/dbraw/zinc/38/62/45/308386245.db2.gz PUEMZZPGZJZCIX-UHFFFAOYSA-N 1 0 344.415 3.320 20 5 EGBDRO C[C@H]([NH2+]CC(=O)N(C1CC1)C1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000296699576 308457064 /nfs/dbraw/zinc/45/70/64/308457064.db2.gz KTNHOBMBFASJSR-ZDUSSCGKSA-N 1 0 331.416 3.179 20 5 EGBDRO C[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000296805478 308468999 /nfs/dbraw/zinc/46/89/99/308468999.db2.gz UNJCCXPOQHURPB-LBPRGKRZSA-N 1 0 331.328 3.233 20 5 EGBDRO CN(c1ccccc1)c1ccc(CNCC(C)(C)[NH3+])cc1[N+](=O)[O-] ZINC000414809595 309102921 /nfs/dbraw/zinc/10/29/21/309102921.db2.gz VRBJXPYEJVTKDB-UHFFFAOYSA-N 1 0 328.416 3.190 20 5 EGBDRO COc1ccc(NC(=O)C[NH2+]C(C)(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000299649632 308682960 /nfs/dbraw/zinc/68/29/60/308682960.db2.gz OFDAVFWUFPXWSX-UHFFFAOYSA-N 1 0 343.383 3.067 20 5 EGBDRO CCc1c(C)[nH+]c2ccccc2c1NCCn1cc([N+](=O)[O-])cn1 ZINC000302032410 308726016 /nfs/dbraw/zinc/72/60/16/308726016.db2.gz KNGPLLKZEBIORT-UHFFFAOYSA-N 1 0 325.372 3.322 20 5 EGBDRO COc1cc(NCC[C@@H](C)[NH+]2CCCCC2)c(F)cc1[N+](=O)[O-] ZINC000302152731 308731177 /nfs/dbraw/zinc/73/11/77/308731177.db2.gz MGLHGYILNOYHPK-GFCCVEGCSA-N 1 0 325.384 3.419 20 5 EGBDRO C[C@@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CCC[NH2+]C1 ZINC000414842307 309105055 /nfs/dbraw/zinc/10/50/55/309105055.db2.gz BDMFULMEWBLNFM-HIFRSBDPSA-N 1 0 329.400 3.333 20 5 EGBDRO C[C@@H](NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H]1CCC[NH2+]C1 ZINC000414847633 309105348 /nfs/dbraw/zinc/10/53/48/309105348.db2.gz FWIIMTCMRPHSSV-UKRRQHHQSA-N 1 0 329.400 3.333 20 5 EGBDRO CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000330493314 308795717 /nfs/dbraw/zinc/79/57/17/308795717.db2.gz MIPNPUMPLKDKKI-IJEWVQPXSA-N 1 0 333.432 3.425 20 5 EGBDRO C[C@H]([NH2+][C@@H]1CCN(c2ccc(F)cc2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000411457198 308939861 /nfs/dbraw/zinc/93/98/61/308939861.db2.gz NEUMNVNPMWWWGP-YVEFUNNKSA-N 1 0 343.358 3.190 20 5 EGBDRO CC(C)C[C@H]1OCCC[C@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411555488 308943962 /nfs/dbraw/zinc/94/39/62/308943962.db2.gz HAVSRVMPBCQAPK-IAGOWNOFSA-N 1 0 349.431 3.107 20 5 EGBDRO C[N@@H+]1CCC[C@@H](CCNc2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000413435339 309032045 /nfs/dbraw/zinc/03/20/45/309032045.db2.gz HGJSBKAWWBKVJA-JTQLQIEISA-N 1 0 332.326 3.152 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(CN[C@@H]3CCC[NH2+]C3)o2)c(Cl)c1 ZINC000414859996 309106040 /nfs/dbraw/zinc/10/60/40/309106040.db2.gz BWKUMGYVJIQBFD-LLVKDONJSA-N 1 0 335.791 3.350 20 5 EGBDRO [NH3+][C@H]1CCC[C@@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000414928600 309109737 /nfs/dbraw/zinc/10/97/37/309109737.db2.gz QIKRQFUREOXYJB-QWHCGFSZSA-N 1 0 332.429 3.078 20 5 EGBDRO [NH3+]CC[C@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C(F)F ZINC000414984176 309112726 /nfs/dbraw/zinc/11/27/26/309112726.db2.gz DGTHCGJDMXHWIL-ZDUSSCGKSA-N 1 0 341.383 3.395 20 5 EGBDRO COc1ccc(-c2ccc(CN[C@H](C[NH3+])C(C)(C)C)o2)c([N+](=O)[O-])c1 ZINC000415052933 309116768 /nfs/dbraw/zinc/11/67/68/309116768.db2.gz JANGJOSBBYMPEP-QGZVFWFLSA-N 1 0 347.415 3.326 20 5 EGBDRO C[C@H](NC(=O)NCC[NH2+]C1CCCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000417136719 309194602 /nfs/dbraw/zinc/19/46/02/309194602.db2.gz LIPFVGYOMUNHDJ-AWEZNQCLSA-N 1 0 348.447 3.267 20 5 EGBDRO CC1(C)C[C@@H]([NH2+][C@@H]2CCN(CC(F)F)C2)c2cc([N+](=O)[O-])ccc21 ZINC000417381085 309203716 /nfs/dbraw/zinc/20/37/16/309203716.db2.gz IBSORWVYUCWLHP-IAQYHMDHSA-N 1 0 339.386 3.246 20 5 EGBDRO Cc1c(CNC(=O)NCC[NH2+]C2CCCCCC2)cccc1[N+](=O)[O-] ZINC000418081094 309234607 /nfs/dbraw/zinc/23/46/07/309234607.db2.gz NKZXCYYQWKHAQB-UHFFFAOYSA-N 1 0 348.447 3.015 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420264913 309278659 /nfs/dbraw/zinc/27/86/59/309278659.db2.gz VJNNAFBIQUTHQG-AOOOYVTPSA-N 1 0 330.215 3.337 20 5 EGBDRO O=[N+]([O-])c1cc(Br)ccc1NCCC[C@H]1CCC[NH2+]1 ZINC000420274182 309279019 /nfs/dbraw/zinc/27/90/19/309279019.db2.gz MSIUUQKAFPRNBS-LLVKDONJSA-N 1 0 328.210 3.301 20 5 EGBDRO [NH3+][C@H]1CCC[C@H](CNc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C1 ZINC000420291957 309279700 /nfs/dbraw/zinc/27/97/00/309279700.db2.gz VZVLFHYDIDMYKU-ZFWWWQNUSA-N 1 0 326.400 3.008 20 5 EGBDRO C[NH+](C)C1CCC(Nc2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000420630717 309291009 /nfs/dbraw/zinc/29/10/09/309291009.db2.gz TUGPJOGDSYPXME-UHFFFAOYSA-N 1 0 343.225 3.037 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000421762690 309339065 /nfs/dbraw/zinc/33/90/65/309339065.db2.gz NTVNZKMKKQBYOU-INIZCTEOSA-N 1 0 345.443 3.302 20 5 EGBDRO CCc1ccc([C@@H](N[C@@H]2CCC[NH2+]C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000423196439 309390175 /nfs/dbraw/zinc/39/01/75/309390175.db2.gz VJDVCWMQZDJFML-KDOFPFPSSA-N 1 0 329.400 3.181 20 5 EGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2NCC[NH2+]C2CCCCCC2)n1 ZINC000423282994 309393990 /nfs/dbraw/zinc/39/39/90/309393990.db2.gz VNUIAPHYJUAKCD-IAGOWNOFSA-N 1 0 349.479 3.177 20 5 EGBDRO C[C@@H]([NH3+])c1ccc(C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000423730394 309410946 /nfs/dbraw/zinc/41/09/46/309410946.db2.gz WPOAGLBEINEQAT-CYBMUJFWSA-N 1 0 339.395 3.419 20 5 EGBDRO CSc1ccc([N+](=O)[O-])c(-c2nc(C3([NH3+])CCCCC3)no2)c1 ZINC000424346620 309439881 /nfs/dbraw/zinc/43/98/81/309439881.db2.gz POXRFFKRRIMGSV-UHFFFAOYSA-N 1 0 334.401 3.485 20 5 EGBDRO C[C@@H]1C[NH+](CCCNc2ccnc3c2cccc3[N+](=O)[O-])C[C@@H](C)O1 ZINC000432326299 309657477 /nfs/dbraw/zinc/65/74/77/309657477.db2.gz OVMVYISEPXPPQW-ZIAGYGMSSA-N 1 0 344.415 3.054 20 5 EGBDRO CC(C)c1ccc(C(=O)N[C@@H](C)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000439413071 309832354 /nfs/dbraw/zinc/83/23/54/309832354.db2.gz RYBSBKDIJUQHCU-AWEZNQCLSA-N 1 0 333.432 3.322 20 5 EGBDRO COCC[C@]1([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCOC1 ZINC000447093051 309973967 /nfs/dbraw/zinc/97/39/67/309973967.db2.gz GLYYYSKWURJWCX-SFHVURJKSA-N 1 0 346.383 3.140 20 5 EGBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCCc2ccccc2)n1 ZINC000447521308 309980559 /nfs/dbraw/zinc/98/05/59/309980559.db2.gz WCBAYHFCNQRQTJ-IRXDYDNUSA-N 1 0 328.416 3.497 20 5 EGBDRO CC(=O)Nc1ccc(CC[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000449130200 310039084 /nfs/dbraw/zinc/03/90/84/310039084.db2.gz XXEVOWIHVRCXMT-CQSZACIVSA-N 1 0 341.411 3.317 20 5 EGBDRO CN(C)c1ncc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)s1 ZINC000449496877 310066945 /nfs/dbraw/zinc/06/69/45/310066945.db2.gz HXEUQOTWLAOVNX-AWEZNQCLSA-N 1 0 346.456 3.497 20 5 EGBDRO CC(C)c1ccc(C[N@H+](CCO)C2CCSCC2)cc1[N+](=O)[O-] ZINC000449683530 310080745 /nfs/dbraw/zinc/08/07/45/310080745.db2.gz JAGCMXHKMATDEQ-UHFFFAOYSA-N 1 0 338.473 3.408 20 5 EGBDRO CCO[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000449757223 310084774 /nfs/dbraw/zinc/08/47/74/310084774.db2.gz CTVVGXPVZCTJGB-IAOVAPTHSA-N 1 0 349.431 3.249 20 5 EGBDRO CC[NH+](CC)CCC[C@H](C)Nc1nccc2cc([N+](=O)[O-])ccc21 ZINC000450211809 310108847 /nfs/dbraw/zinc/10/88/47/310108847.db2.gz QYQMZFXTXLHGAQ-AWEZNQCLSA-N 1 0 330.432 3.487 20 5 EGBDRO CC[C@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000450867360 310146913 /nfs/dbraw/zinc/14/69/13/310146913.db2.gz ZESMJLRRFOUJDS-NSHDSACASA-N 1 0 329.347 3.117 20 5 EGBDRO C[C@H](c1ccccc1)[C@H](O)C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000450931666 310150457 /nfs/dbraw/zinc/15/04/57/310150457.db2.gz BBRMQHQZCSGNKM-DNVCBOLYSA-N 1 0 328.412 3.234 20 5 EGBDRO C[C@H]([NH2+]CC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000451098208 310160355 /nfs/dbraw/zinc/16/03/55/310160355.db2.gz GXGASWIYYXZTPI-XJIUQZFPSA-N 1 0 333.432 3.186 20 5 EGBDRO C[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCCC[C@H]1C ZINC000451100430 310160461 /nfs/dbraw/zinc/16/04/61/310160461.db2.gz TXLRNKUEWFIQDR-FHIRATQRSA-N 1 0 333.432 3.329 20 5 EGBDRO C[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000451100432 310160621 /nfs/dbraw/zinc/16/06/21/310160621.db2.gz TXLRNKUEWFIQDR-XJIUQZFPSA-N 1 0 333.432 3.329 20 5 EGBDRO Cc1ccc(CNC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000451107867 310160916 /nfs/dbraw/zinc/16/09/16/310160916.db2.gz UGGFFVDEDIHNTD-LSDHHAIUSA-N 1 0 341.411 3.259 20 5 EGBDRO CO[C@]1(C)C[C@H]([NH2+]CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1(C)C ZINC000451492193 310181115 /nfs/dbraw/zinc/18/11/15/310181115.db2.gz QKSXJCPZHBWLFY-MAUKXSAKSA-N 1 0 349.431 3.025 20 5 EGBDRO CO[C@@H]1C[C@H]([NH2+][C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1(C)C ZINC000451511293 310181899 /nfs/dbraw/zinc/18/18/99/310181899.db2.gz WCJNIQYTLFFOLH-DDTOSNHZSA-N 1 0 346.387 3.109 20 5 EGBDRO CCCCNC(=O)CC[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451545551 310184847 /nfs/dbraw/zinc/18/48/47/310184847.db2.gz HRXABPSJXNUZSW-MRXNPFEDSA-N 1 0 333.432 3.081 20 5 EGBDRO Cc1c(C[NH+]2CCC(OCCOC(C)C)CC2)cccc1[N+](=O)[O-] ZINC000451953782 310204727 /nfs/dbraw/zinc/20/47/27/310204727.db2.gz VGEUAZQYWZSWCW-UHFFFAOYSA-N 1 0 336.432 3.309 20 5 EGBDRO C[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCC[C@@H](C)C1 ZINC000452062943 310209968 /nfs/dbraw/zinc/20/99/68/310209968.db2.gz UZXGGMWPCFCTAB-QXSJWSMHSA-N 1 0 336.432 3.139 20 5 EGBDRO CC1CC[NH+](CC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000452836035 310244572 /nfs/dbraw/zinc/24/45/72/310244572.db2.gz CSZDXCGNJKNHJE-KRWDZBQOSA-N 1 0 345.443 3.033 20 5 EGBDRO CC1(CC(F)(F)F)C[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000453040677 310253894 /nfs/dbraw/zinc/25/38/94/310253894.db2.gz QSZNXUHFPUYKRF-UHFFFAOYSA-N 1 0 345.321 3.198 20 5 EGBDRO COc1ccc2c(c1)C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)CO2 ZINC000453063619 310255404 /nfs/dbraw/zinc/25/54/04/310255404.db2.gz FBDHJYVXMDCXDN-IUODEOHRSA-N 1 0 328.368 3.258 20 5 EGBDRO Cc1cccnc1CCC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000453310042 310270418 /nfs/dbraw/zinc/27/04/18/310270418.db2.gz QNVJJKLBSDSCBN-IRXDYDNUSA-N 1 0 343.431 3.201 20 5 EGBDRO Cc1ccc(C[C@H](CO)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1C ZINC000453451763 310277770 /nfs/dbraw/zinc/27/77/70/310277770.db2.gz RVJRJMHYBIUTEF-MAUKXSAKSA-N 1 0 328.412 3.466 20 5 EGBDRO C[C@H](NC(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000454513797 310314091 /nfs/dbraw/zinc/31/40/91/310314091.db2.gz RGXSHEPNIGDOPA-KKUMJFAQSA-N 1 0 348.447 3.075 20 5 EGBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000454967519 310338145 /nfs/dbraw/zinc/33/81/45/310338145.db2.gz DOWRMUHKBMMKNL-KGLIPLIRSA-N 1 0 336.436 3.075 20 5 EGBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](CC(C)C)[NH+](C)C ZINC000462769802 310605398 /nfs/dbraw/zinc/60/53/98/310605398.db2.gz ZMDAEKCZOGHJQQ-AEFFLSMTSA-N 1 0 349.475 3.256 20 5 EGBDRO COc1ccc(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1O ZINC000178407819 533699128 /nfs/dbraw/zinc/69/91/28/533699128.db2.gz DJWGIABREHALOY-MRXNPFEDSA-N 1 0 342.395 3.420 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCN(c2ccccn2)C1 ZINC000468619591 310691076 /nfs/dbraw/zinc/69/10/76/310691076.db2.gz PIYRZSVRSQVFFE-GSPCDJLXSA-N 1 0 338.411 3.262 20 5 EGBDRO CC[NH+]1CCN(c2cccc(Nc3ncc(C)cc3[N+](=O)[O-])c2)CC1 ZINC000472668184 310768601 /nfs/dbraw/zinc/76/86/01/310768601.db2.gz RRVCMUXBFXPMPP-UHFFFAOYSA-N 1 0 341.415 3.184 20 5 EGBDRO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000481120136 310906778 /nfs/dbraw/zinc/90/67/78/310906778.db2.gz ZXQXCFNZINYDID-CJNGLKHVSA-N 1 0 345.443 3.288 20 5 EGBDRO C[NH+](C)[C@H]1CCC[C@@H]1Nc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000485411555 310977359 /nfs/dbraw/zinc/97/73/59/310977359.db2.gz RQEDBVDRXJXOHU-GJZGRUSLSA-N 1 0 344.390 3.112 20 5 EGBDRO C[NH+](C)[C@H](CNC(=O)/C=C\c1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000490857202 311155174 /nfs/dbraw/zinc/15/51/74/311155174.db2.gz SQHZNFFBVUIUGU-WHLNPGIBSA-N 1 0 345.424 3.089 20 5 EGBDRO CCCC[C@H]1CCC[C@@H]1[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000492846299 311298445 /nfs/dbraw/zinc/29/84/45/311298445.db2.gz IADBTBBDOUXIJM-YOEHRIQHSA-N 1 0 345.443 3.432 20 5 EGBDRO CCOc1cc(C[N@@H+]2CCC[C@@H](OCC3CC3)C2)ccc1[N+](=O)[O-] ZINC000492883742 311303033 /nfs/dbraw/zinc/30/30/33/311303033.db2.gz AHGBMRXOLYIJGU-MRXNPFEDSA-N 1 0 334.416 3.385 20 5 EGBDRO Cc1nc([C@@H]2CCCN(Cc3c(Cl)cccc3[N+](=O)[O-])C2)n[nH]1 ZINC000493360884 311365306 /nfs/dbraw/zinc/36/53/06/311365306.db2.gz KFGKQDZDZMOBQR-LLVKDONJSA-N 1 0 335.795 3.054 20 5 EGBDRO CN(C(=O)c1ccccc1[N+](=O)[O-])C(C)(C)C[NH+]1CCCCCC1 ZINC000494100465 311456298 /nfs/dbraw/zinc/45/62/98/311456298.db2.gz XLVLYDKPAPLIGE-UHFFFAOYSA-N 1 0 333.432 3.321 20 5 EGBDRO COc1ccc(-c2ccc(C[NH2+][C@H]3C[C@H](O)C3(C)C)o2)c([N+](=O)[O-])c1 ZINC000494469396 311481698 /nfs/dbraw/zinc/48/16/98/311481698.db2.gz CNJZFZUHDVRMRU-IRXDYDNUSA-N 1 0 346.383 3.112 20 5 EGBDRO COC(=O)N1CCC(C[NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000496162551 311671540 /nfs/dbraw/zinc/67/15/40/311671540.db2.gz VMSUQLLBHZUDAP-GXDHUFHOSA-N 1 0 347.415 3.066 20 5 EGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](C1CC1)N(C)C ZINC000504911523 312012443 /nfs/dbraw/zinc/01/24/43/312012443.db2.gz HUGKBCBSOBQIRG-GDBMZVCRSA-N 1 0 337.489 3.395 20 5 EGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@](C)(O)C(C)C ZINC000504906309 312012584 /nfs/dbraw/zinc/01/25/84/312012584.db2.gz WGWCTHBWQKHBPF-CZUORRHYSA-N 1 0 326.462 3.462 20 5 EGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC(C)(C)N(C)C ZINC000504930984 312012767 /nfs/dbraw/zinc/01/27/67/312012767.db2.gz VCAFPCNOCURUCJ-CYBMUJFWSA-N 1 0 325.478 3.395 20 5 EGBDRO CC(C)[NH+](CCN(C)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000505354558 312020625 /nfs/dbraw/zinc/02/06/25/312020625.db2.gz XQLSADUYTSHUIB-UHFFFAOYSA-N 1 0 349.475 3.450 20 5 EGBDRO C[C@@H]1CN(Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000505877632 312037826 /nfs/dbraw/zinc/03/78/26/312037826.db2.gz UQNIRZAZFBDFRS-CYBMUJFWSA-N 1 0 345.374 3.320 20 5 EGBDRO CCOC(=O)CC1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000507352852 312069454 /nfs/dbraw/zinc/06/94/54/312069454.db2.gz MOEPRAVTCJMFRH-ALCCZGGFSA-N 1 0 332.400 3.273 20 5 EGBDRO COc1ccc(NC(=O)C[N@H+](C)CCC2CCCCC2)c([N+](=O)[O-])c1 ZINC000507608021 312079276 /nfs/dbraw/zinc/07/92/76/312079276.db2.gz KMQGYKIHABGYQK-UHFFFAOYSA-N 1 0 349.431 3.444 20 5 EGBDRO C[C@@H]1C[C@H](CCNc2ccc([N+](=O)[O-])cn2)C[N@@H+]1Cc1ccccc1 ZINC000511599250 312164145 /nfs/dbraw/zinc/16/41/45/312164145.db2.gz OILMZWIORIUGBR-WBVHZDCISA-N 1 0 340.427 3.124 20 5 EGBDRO CCC(CC)C[N@H+](CC)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000514125516 312225812 /nfs/dbraw/zinc/22/58/12/312225812.db2.gz VZVYZBSKLISJII-UHFFFAOYSA-N 1 0 337.420 3.300 20 5 EGBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000517938998 312398759 /nfs/dbraw/zinc/39/87/59/312398759.db2.gz GOXJDCPSADMQHZ-LLVKDONJSA-N 1 0 339.823 3.051 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC000531995373 313741950 /nfs/dbraw/zinc/74/19/50/313741950.db2.gz UXBYDRXQJRKZGI-IPELMVKDSA-N 1 0 347.459 3.197 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(NC[C@H](Cc2ccccc2)[NH+](C)C)c1 ZINC000534524301 313985086 /nfs/dbraw/zinc/98/50/86/313985086.db2.gz DNKKGDQHISWKQX-HNNXBMFYSA-N 1 0 329.400 3.188 20 5 EGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(OC[C@H]2CCOC2)CC1 ZINC000536372189 314109544 /nfs/dbraw/zinc/10/95/44/314109544.db2.gz VWZDEHOBCHOVIJ-CABCVRRESA-N 1 0 334.416 3.173 20 5 EGBDRO COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000538380775 314242899 /nfs/dbraw/zinc/24/28/99/314242899.db2.gz PYHQDMBDGKQELJ-XJKSGUPXSA-N 1 0 340.807 3.460 20 5 EGBDRO COC(=O)[C@@H]1CCCC[C@]1(C)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000542702332 314570676 /nfs/dbraw/zinc/57/06/76/314570676.db2.gz XCGMHSNECXEHMA-ZYMDLIBXSA-N 1 0 332.400 3.320 20 5 EGBDRO CCO[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000545456871 314765309 /nfs/dbraw/zinc/76/53/09/314765309.db2.gz YUFSJTJVIOLNPP-QSOKESPWSA-N 1 0 348.443 3.090 20 5 EGBDRO O=C(CC[NH2+]Cc1ccc(Cl)s1)Nc1ccccc1[N+](=O)[O-] ZINC000548761222 315044281 /nfs/dbraw/zinc/04/42/81/315044281.db2.gz RTJBXJWURUBRNT-UHFFFAOYSA-N 1 0 339.804 3.428 20 5 EGBDRO COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000551720061 315165266 /nfs/dbraw/zinc/16/52/66/315165266.db2.gz ORZQKRXZBLXWTI-PBHICJAKSA-N 1 0 342.395 3.105 20 5 EGBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000552871326 315235856 /nfs/dbraw/zinc/23/58/56/315235856.db2.gz KHYRCQGUTNFGSD-AWEZNQCLSA-N 1 0 335.448 3.109 20 5 EGBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1CCCSC1 ZINC000554359251 315312914 /nfs/dbraw/zinc/31/29/14/315312914.db2.gz PAKIBSLRYBEUKC-QWHCGFSZSA-N 1 0 337.445 3.045 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@@H](CO)C1CCCC1 ZINC000554990953 315361122 /nfs/dbraw/zinc/36/11/22/315361122.db2.gz HDUCZKHIINKUSZ-SZMVWBNQSA-N 1 0 332.444 3.447 20 5 EGBDRO COc1cc(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])ccc1C ZINC000558573606 315579865 /nfs/dbraw/zinc/57/98/65/315579865.db2.gz KRCNOSJVWMCCRG-UHFFFAOYSA-N 1 0 343.383 3.030 20 5 EGBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000563649653 316051393 /nfs/dbraw/zinc/05/13/93/316051393.db2.gz JWXZIQNSHSSPKI-UHFFFAOYSA-N 1 0 333.432 3.354 20 5 EGBDRO CC[N@@H+]1CCC[C@H]1CN[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000570456395 317058560 /nfs/dbraw/zinc/05/85/60/317058560.db2.gz VSMRUGPATBIBOL-UONOGXRCSA-N 1 0 331.338 3.272 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000571955449 317270943 /nfs/dbraw/zinc/27/09/43/317270943.db2.gz MHANURQILPDKSW-HOTGVXAUSA-N 1 0 335.448 3.055 20 5 EGBDRO COC(=O)c1cccc(C[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000572527144 317351688 /nfs/dbraw/zinc/35/16/88/317351688.db2.gz USIYVPWYYKLVCC-CQSZACIVSA-N 1 0 342.395 3.492 20 5 EGBDRO COc1ccc(COCC[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000574414053 317596133 /nfs/dbraw/zinc/59/61/33/317596133.db2.gz KKEPOXLAXHVHFF-GOSISDBHSA-N 1 0 342.395 3.397 20 5 EGBDRO C[C@@H]([NH2+]CC(=O)NCc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000180396622 323438188 /nfs/dbraw/zinc/43/81/88/323438188.db2.gz BGVZILGRJCPQMU-GFCCVEGCSA-N 1 0 347.802 3.215 20 5 EGBDRO Cc1cccc([C@H](C)[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)c1C ZINC000183722334 323629326 /nfs/dbraw/zinc/62/93/26/323629326.db2.gz RSLXGSRZHOAWRH-RDJZCZTQSA-N 1 0 344.411 3.302 20 5 EGBDRO CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000382449990 324250869 /nfs/dbraw/zinc/25/08/69/324250869.db2.gz MGZYKLVTOMUCET-HUUCEWRRSA-N 1 0 349.431 3.378 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CC[C@H](CCCO)C3)o2)cc1 ZINC000449792817 324342522 /nfs/dbraw/zinc/34/25/22/324342522.db2.gz UVWVJWJXZXVELG-AWEZNQCLSA-N 1 0 330.384 3.449 20 5 EGBDRO COc1ccc(NC(=O)C[N@H+](C)[C@H](C)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000579862874 325169536 /nfs/dbraw/zinc/16/95/36/325169536.db2.gz QYQCVBGKDYXVIS-CYBMUJFWSA-N 1 0 349.431 3.443 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H](CO)c1ccc(F)cc1 ZINC000579928115 325177593 /nfs/dbraw/zinc/17/75/93/325177593.db2.gz KBJNHZIPDPFVQP-UKRRQHHQSA-N 1 0 332.375 3.469 20 5 EGBDRO COC(=O)C(C)(C)CC[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000581277845 325348408 /nfs/dbraw/zinc/34/84/08/325348408.db2.gz JUPNQWSGNBQFLB-GOEBONIOSA-N 1 0 348.443 3.485 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000173104930 455232842 /nfs/dbraw/zinc/23/28/42/455232842.db2.gz HJTYWBQQTZCCSP-HNNXBMFYSA-N 1 0 333.432 3.288 20 5 EGBDRO O=[N+]([O-])c1cccc(Cl)c1CN1CCSC2(CCOCC2)C1 ZINC000494665004 458724481 /nfs/dbraw/zinc/72/44/81/458724481.db2.gz ZMQHBMKNHVFTKC-UHFFFAOYSA-N 1 0 342.848 3.346 20 5 EGBDRO C[S@](=O)[C@@H]1CCC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000594961267 459194156 /nfs/dbraw/zinc/19/41/56/459194156.db2.gz MLHXNTGQBCYBDX-SMSPXONGSA-N 1 0 330.837 3.028 20 5 EGBDRO CC[C@]1([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCOC1 ZINC000616487733 460570511 /nfs/dbraw/zinc/57/05/11/460570511.db2.gz VQABLAFYQMELOL-INIZCTEOSA-N 1 0 333.413 3.377 20 5 EGBDRO Cc1ccc(C(=O)NCCC[N@@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000009981464 453269707 /nfs/dbraw/zinc/26/97/07/453269707.db2.gz RWCZKXHARXCGKC-UHFFFAOYSA-N 1 0 341.411 3.155 20 5 EGBDRO CC1(C)CC(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC(C)(C)[NH2+]1 ZINC000015219106 453561796 /nfs/dbraw/zinc/56/17/96/453561796.db2.gz KXCIUHFMUSVPGD-UHFFFAOYSA-N 1 0 339.823 3.287 20 5 EGBDRO C[N@H+](CCCNC(=O)Nc1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000018176786 453646043 /nfs/dbraw/zinc/64/60/43/453646043.db2.gz NCWFUPWKODHUCX-UHFFFAOYSA-N 1 0 342.399 3.238 20 5 EGBDRO COc1ccccc1[C@@H](CNc1ccc([N+](=O)[O-])cn1)[NH+]1CCCC1 ZINC000022806752 453699449 /nfs/dbraw/zinc/69/94/49/453699449.db2.gz LPDXFSLMBALCGW-MRXNPFEDSA-N 1 0 342.399 3.247 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)Cc1ccccc1 ZINC000026157364 453793333 /nfs/dbraw/zinc/79/33/33/453793333.db2.gz VQIMQEZKBMKANA-UHFFFAOYSA-N 1 0 343.383 3.064 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)C1CCCCC1 ZINC000026158127 453793456 /nfs/dbraw/zinc/79/34/56/453793456.db2.gz UMAGWYAWICWPOD-UHFFFAOYSA-N 1 0 335.404 3.197 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000026156214 453793503 /nfs/dbraw/zinc/79/35/03/453793503.db2.gz YDUNRYUWXVQRPZ-UHFFFAOYSA-N 1 0 339.395 3.290 20 5 EGBDRO C[NH+](C)[C@@H](CNc1nc2sccn2c1[N+](=O)[O-])c1cccc(F)c1 ZINC000029847965 453831977 /nfs/dbraw/zinc/83/19/77/453831977.db2.gz JBUDCSIENOILQT-LBPRGKRZSA-N 1 0 349.391 3.158 20 5 EGBDRO CC[C@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000030144609 453834015 /nfs/dbraw/zinc/83/40/15/453834015.db2.gz HTUMYLTUQCLBOQ-ZDUSSCGKSA-N 1 0 335.404 3.054 20 5 EGBDRO CCCCNC(=O)C1CC[NH+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000075588773 453908806 /nfs/dbraw/zinc/90/88/06/453908806.db2.gz XUJZHMNESVRHAA-CQSZACIVSA-N 1 0 333.432 3.284 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)N(CC(C)C)C2CC2)cc1[N+](=O)[O-] ZINC000181823912 455386493 /nfs/dbraw/zinc/38/64/93/455386493.db2.gz BNAJJWLGTLZUFV-AWEZNQCLSA-N 1 0 333.432 3.201 20 5 EGBDRO CC[NH+](CC)CCCNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000075986391 453945413 /nfs/dbraw/zinc/94/54/13/453945413.db2.gz UUIBNGZADGQCBD-UHFFFAOYSA-N 1 0 328.800 3.102 20 5 EGBDRO Cc1cc(C(=O)N(C)CC[N@H+](C)C2CCCCC2)ccc1[N+](=O)[O-] ZINC000076329857 453989080 /nfs/dbraw/zinc/98/90/80/453989080.db2.gz YFSDTUNBYVRXRL-UHFFFAOYSA-N 1 0 333.432 3.240 20 5 EGBDRO O=C(C[N@@H+]1CCC[C@@H]2CCCC[C@@H]21)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000084490313 453991564 /nfs/dbraw/zinc/99/15/64/453991564.db2.gz QPSBPVWORKUNRA-YOEHRIQHSA-N 1 0 343.427 3.139 20 5 EGBDRO COc1ccc(C[C@](C)([NH3+])CNc2ccc(F)cc2[N+](=O)[O-])cc1 ZINC000084640724 454002610 /nfs/dbraw/zinc/00/26/10/454002610.db2.gz PNRMXEQHICUQHX-KRWDZBQOSA-N 1 0 333.363 3.115 20 5 EGBDRO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2ccc(C(N)=O)cc2[N+](=O)[O-])c1 ZINC000055910391 454024837 /nfs/dbraw/zinc/02/48/37/454024837.db2.gz IFCIQLGMKTZLFD-KRWDZBQOSA-N 1 0 339.395 3.339 20 5 EGBDRO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000056197314 454043224 /nfs/dbraw/zinc/04/32/24/454043224.db2.gz MNSCHFJQOLXKML-CABCVRRESA-N 1 0 341.411 3.293 20 5 EGBDRO Cc1ccc(NC(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000043147141 454044541 /nfs/dbraw/zinc/04/45/41/454044541.db2.gz KLYUHVPFVWGIFY-JSGCOSHPSA-N 1 0 334.420 3.145 20 5 EGBDRO C[N@@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000044537853 454105358 /nfs/dbraw/zinc/10/53/58/454105358.db2.gz FKKWCDDHPUEYKP-SNVBAGLBSA-N 1 0 328.210 3.111 20 5 EGBDRO COc1ccc(NC(=O)[C@H](C)[N@H+](C)CC2CCCCC2)c([N+](=O)[O-])c1 ZINC000044714963 454116342 /nfs/dbraw/zinc/11/63/42/454116342.db2.gz OMJGTRFOXZXKJK-ZDUSSCGKSA-N 1 0 349.431 3.443 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(N2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c1 ZINC000088718409 454117294 /nfs/dbraw/zinc/11/72/94/454117294.db2.gz OAQDHRIXBKGXQC-HZPDHXFCSA-N 1 0 347.459 3.229 20 5 EGBDRO Cn1cnc([N+](=O)[O-])c1NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000057829858 454150182 /nfs/dbraw/zinc/15/01/82/454150182.db2.gz FECQIMHXAOOGTO-UHFFFAOYSA-N 1 0 343.431 3.316 20 5 EGBDRO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccccc1N(C)C ZINC000089580572 454163126 /nfs/dbraw/zinc/16/31/26/454163126.db2.gz HHXSGDFJOWMBAR-AWEZNQCLSA-N 1 0 329.400 3.390 20 5 EGBDRO COc1ccc([C@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000089580658 454163244 /nfs/dbraw/zinc/16/32/44/454163244.db2.gz SZCGWAYGXPMXLD-ZDUSSCGKSA-N 1 0 346.383 3.342 20 5 EGBDRO CC(C)[C@H]([NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])C(=O)N1CCCC1 ZINC000089723029 454184023 /nfs/dbraw/zinc/18/40/23/454184023.db2.gz CSSOKHBSVGUHRY-YJBOKZPZSA-N 1 0 347.459 3.153 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H]1CCCCC1(C)C ZINC000119827139 454224479 /nfs/dbraw/zinc/22/44/79/454224479.db2.gz KDFAJHGNDFKHNP-HNNXBMFYSA-N 1 0 335.404 3.100 20 5 EGBDRO C[N@@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C1 ZINC000090092118 454277842 /nfs/dbraw/zinc/27/78/42/454277842.db2.gz SFQWBNWDKPZHET-CQSZACIVSA-N 1 0 326.400 3.411 20 5 EGBDRO CC(C)c1ccc(C[N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000090516050 454313637 /nfs/dbraw/zinc/31/36/37/454313637.db2.gz MFRLWRMOFOZEND-UHFFFAOYSA-N 1 0 329.400 3.012 20 5 EGBDRO O=S1(=O)CC[C@H]([NH2+]Cc2c3ccccc3cc3ccccc32)C1 ZINC000061002586 454324014 /nfs/dbraw/zinc/32/40/14/454324014.db2.gz LVFRITNMQWCDCH-INIZCTEOSA-N 1 0 325.433 3.270 20 5 EGBDRO C[NH+](C)Cc1cccc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)c1 ZINC000047452914 454374022 /nfs/dbraw/zinc/37/40/22/454374022.db2.gz RZYSVZHTAHKYGK-UHFFFAOYSA-N 1 0 345.424 3.387 20 5 EGBDRO CN(CC1CC[NH+](C)CC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000063125732 454393417 /nfs/dbraw/zinc/39/34/17/454393417.db2.gz DQXBVWOGGLFUJX-UHFFFAOYSA-N 1 0 342.237 3.135 20 5 EGBDRO Cc1ccc(CN(CC[NH+](C)C)C(=O)c2ccc([N+](=O)[O-])c(C)c2)o1 ZINC000063497783 454418758 /nfs/dbraw/zinc/41/87/58/454418758.db2.gz JIOYPTPLPGYSFM-UHFFFAOYSA-N 1 0 345.399 3.009 20 5 EGBDRO CCOC(=O)CC[C@H]1CCC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000092073739 454515803 /nfs/dbraw/zinc/51/58/03/454515803.db2.gz RLANXINAINOPJN-OAHLLOKOSA-N 1 0 334.416 3.459 20 5 EGBDRO CC[C@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)CC[C@H]1c1ccccc1 ZINC000246242723 455456690 /nfs/dbraw/zinc/45/66/90/455456690.db2.gz RTVSOYBPMWCLEX-DOTOQJQBSA-N 1 0 328.416 3.307 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000104675373 454593549 /nfs/dbraw/zinc/59/35/49/454593549.db2.gz AYTLWQWMHAQCLR-AWEZNQCLSA-N 1 0 344.415 3.485 20 5 EGBDRO CC[C@@H](C)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000104687997 454596456 /nfs/dbraw/zinc/59/64/56/454596456.db2.gz AXXNPQICONOMNG-SECBINFHSA-N 1 0 344.209 3.026 20 5 EGBDRO COc1ccc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1[N+](=O)[O-] ZINC000134903556 454606382 /nfs/dbraw/zinc/60/63/82/454606382.db2.gz PTBNGIWJAGJKDN-WBVHZDCISA-N 1 0 345.443 3.052 20 5 EGBDRO COc1ccc(OCC[N@H+](C)Cc2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000051563012 454631084 /nfs/dbraw/zinc/63/10/84/454631084.db2.gz UADXILDFODOPFB-UHFFFAOYSA-N 1 0 346.383 3.123 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](C/C=C/c3ccc(F)cc3)C2)nc1 ZINC000093534573 454720720 /nfs/dbraw/zinc/72/07/20/454720720.db2.gz XHFNPAYLMNTLMY-XGBNDESESA-N 1 0 342.374 3.329 20 5 EGBDRO Cc1cccc(OC[C@H](O)C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000152895041 454738086 /nfs/dbraw/zinc/73/80/86/454738086.db2.gz YSZQWFQHMPFQIQ-DOTOQJQBSA-N 1 0 344.411 3.302 20 5 EGBDRO COc1cc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)ccc1[N+](=O)[O-] ZINC000161931309 454738440 /nfs/dbraw/zinc/73/84/40/454738440.db2.gz RKMOIWCNLGKCPA-CZUORRHYSA-N 1 0 331.416 3.057 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000093865776 454742114 /nfs/dbraw/zinc/74/21/14/454742114.db2.gz YTMZADSIYVJSSH-NJELEJDNSA-N 1 0 325.368 3.156 20 5 EGBDRO CCOC(=O)CC[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000162138361 454753863 /nfs/dbraw/zinc/75/38/63/454753863.db2.gz RUZKVHRMFPICTA-HNNXBMFYSA-N 1 0 334.416 3.459 20 5 EGBDRO COc1ccc([C@@H]2CCC[N@@H+]2C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000136891238 454760145 /nfs/dbraw/zinc/76/01/45/454760145.db2.gz MKLSXQTYRQTNBM-OALUTQOASA-N 1 0 342.395 3.474 20 5 EGBDRO CC[C@@H](NC(=O)N(C)C[C@H]1CCC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000176687350 454771476 /nfs/dbraw/zinc/77/14/76/454771476.db2.gz LSTKSJOPFGRLRK-WMLDXEAASA-N 1 0 348.447 3.029 20 5 EGBDRO C[C@H](C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)[NH+]1CCCCCC1 ZINC000176886067 454795002 /nfs/dbraw/zinc/79/50/02/454795002.db2.gz PHCNCOIQXBWDCP-CQSZACIVSA-N 1 0 333.432 3.211 20 5 EGBDRO CCC[N@H+](CC)CCNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000175642206 455474884 /nfs/dbraw/zinc/47/48/84/455474884.db2.gz VEMJFBNGTKALEO-UHFFFAOYSA-N 1 0 328.800 3.102 20 5 EGBDRO O=[N+]([O-])c1ccc(OCCCN2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000163011195 454816473 /nfs/dbraw/zinc/81/64/73/454816473.db2.gz UEEUMAPUDHSBEL-UHFFFAOYSA-N 1 0 347.459 3.314 20 5 EGBDRO CC[C@@H](C)C[N@H+](CC)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000160578254 455476675 /nfs/dbraw/zinc/47/66/75/455476675.db2.gz WUOMNRSWSQNGPP-OLZOCXBDSA-N 1 0 337.420 3.298 20 5 EGBDRO COc1ccc(-c2ccc(C[NH2+][C@H](C)CCCO)o2)c([N+](=O)[O-])c1 ZINC000154125860 454867846 /nfs/dbraw/zinc/86/78/46/454867846.db2.gz LSOJJWBNSJTKSW-GFCCVEGCSA-N 1 0 334.372 3.114 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC(=O)Nc1ccc(F)cc1 ZINC000126286349 454883510 /nfs/dbraw/zinc/88/35/10/454883510.db2.gz WSWYSMGGSCECLK-LBPRGKRZSA-N 1 0 331.347 3.332 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3ccccc3Cl)C2)nc1 ZINC000112654996 454894604 /nfs/dbraw/zinc/89/46/04/454894604.db2.gz CYUPODNNMUFYGY-CYBMUJFWSA-N 1 0 332.791 3.330 20 5 EGBDRO C[C@@H](C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)[NH+]1CCCCCC1 ZINC000154692221 454919638 /nfs/dbraw/zinc/91/96/38/454919638.db2.gz YQKJIRPHNBPJRT-HNNXBMFYSA-N 1 0 345.443 3.350 20 5 EGBDRO C[C@@H](c1ccccn1)N(C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000128027777 455019358 /nfs/dbraw/zinc/01/93/58/455019358.db2.gz OOGLWTYFHNKEQY-LBPRGKRZSA-N 1 0 339.355 3.233 20 5 EGBDRO COc1cc(C[N@@H+]2CCC(C)(C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000180140218 455138092 /nfs/dbraw/zinc/13/80/92/455138092.db2.gz CVHUGRVETGQPJI-UHFFFAOYSA-N 1 0 344.358 3.479 20 5 EGBDRO C[C@@H]([NH2+]CCC(=O)Nc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000180410492 455165090 /nfs/dbraw/zinc/16/50/90/455165090.db2.gz UGUIZHQKJGDHKX-GFCCVEGCSA-N 1 0 331.347 3.413 20 5 EGBDRO C[C@H]([NH2+]CC(=O)N1c2ccccc2C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000180427075 455167509 /nfs/dbraw/zinc/16/75/09/455167509.db2.gz PCDHJYPZUXPHIF-KBPBESRZSA-N 1 0 339.395 3.223 20 5 EGBDRO Cc1cc(C)cc([C@@H](C)[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000182910439 455189766 /nfs/dbraw/zinc/18/97/66/455189766.db2.gz AOSGTASUKRLAHJ-CRAIPNDOSA-N 1 0 344.411 3.302 20 5 EGBDRO CC[NH+]1CCC(N(C)Cc2cc([N+](=O)[O-])ccc2OC(C)C)CC1 ZINC000157494220 455200115 /nfs/dbraw/zinc/20/01/15/455200115.db2.gz XLENGMBJIFLBLQ-UHFFFAOYSA-N 1 0 335.448 3.298 20 5 EGBDRO O=C(NCC[NH2+]C1CCCCCC1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000237774162 455217541 /nfs/dbraw/zinc/21/75/41/455217541.db2.gz JTWXFBURRFRERU-UHFFFAOYSA-N 1 0 339.823 3.290 20 5 EGBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@H](c2ccccc2F)C2CCCC2)n1 ZINC000181487261 455342201 /nfs/dbraw/zinc/34/22/01/455342201.db2.gz MIFBONBMVGNTQV-KRWDZBQOSA-N 1 0 332.379 3.452 20 5 EGBDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000245664058 455350751 /nfs/dbraw/zinc/35/07/51/455350751.db2.gz AQDUBCDAXRRPFW-UKPHBRMFSA-N 1 0 334.416 3.095 20 5 EGBDRO C[C@@H]1C[C@@H]1[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000245901584 455394581 /nfs/dbraw/zinc/39/45/81/455394581.db2.gz NYPHKNRWXKALQN-RLCCDNCMSA-N 1 0 334.807 3.432 20 5 EGBDRO CCSc1ccc([C@@H](C)[NH2+]CCn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000182114796 455438561 /nfs/dbraw/zinc/43/85/61/455438561.db2.gz OBQHOBNXJMVEOO-CYBMUJFWSA-N 1 0 347.440 3.219 20 5 EGBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCCC[N@@H+]1CC ZINC000184779152 455446196 /nfs/dbraw/zinc/44/61/96/455446196.db2.gz QHPRBMFDKDGHSG-SJLPKXTDSA-N 1 0 347.459 3.154 20 5 EGBDRO CCCC[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C1CCC1 ZINC000184882760 455465622 /nfs/dbraw/zinc/46/56/22/455465622.db2.gz UMULVNPGLBTUGY-OAHLLOKOSA-N 1 0 349.431 3.490 20 5 EGBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000266893485 455470896 /nfs/dbraw/zinc/47/08/96/455470896.db2.gz FQIZLXOJCKHVIB-UHFFFAOYSA-N 1 0 349.431 3.426 20 5 EGBDRO CCCN(CCC[NH+](C)C)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000191673126 455508280 /nfs/dbraw/zinc/50/82/80/455508280.db2.gz KBBQRWYQSCGRCH-UHFFFAOYSA-N 1 0 336.436 3.407 20 5 EGBDRO CC[N@H+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000267175431 455511277 /nfs/dbraw/zinc/51/12/77/455511277.db2.gz ASGCYOWPSLEEKW-NSHDSACASA-N 1 0 331.338 3.392 20 5 EGBDRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@H]2CCCC2(C)C)c([N+](=O)[O-])c1 ZINC000191856602 455526398 /nfs/dbraw/zinc/52/63/98/455526398.db2.gz JQNUFVVTBWXHCY-ABAIWWIYSA-N 1 0 335.404 3.099 20 5 EGBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000182698224 455571549 /nfs/dbraw/zinc/57/15/49/455571549.db2.gz AKZNMBZYJRRLDP-STQMWFEESA-N 1 0 349.431 3.489 20 5 EGBDRO C[NH+](C)Cc1ccc(NC(=O)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000267965648 455571819 /nfs/dbraw/zinc/57/18/19/455571819.db2.gz KCCZQWZDWGUIOC-UHFFFAOYSA-N 1 0 327.384 3.228 20 5 EGBDRO C[C@H](NCc1c(F)cccc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185738080 455611030 /nfs/dbraw/zinc/61/10/30/455611030.db2.gz BXLABLSQRYHUNK-KBPBESRZSA-N 1 0 335.423 3.477 20 5 EGBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC(=Cc3ccccc3F)CC2)n1 ZINC000268343500 455656350 /nfs/dbraw/zinc/65/63/50/455656350.db2.gz PSSQMQXYRNYQJJ-UHFFFAOYSA-N 1 0 330.363 3.110 20 5 EGBDRO O=C(CC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)NC1CCCCC1 ZINC000192708954 455674312 /nfs/dbraw/zinc/67/43/12/455674312.db2.gz GZWMNELNHBMJHS-SFHVURJKSA-N 1 0 345.443 3.401 20 5 EGBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000248065610 455677440 /nfs/dbraw/zinc/67/74/40/455677440.db2.gz FBHRQYRVTITADV-CPUCHLNUSA-N 1 0 331.416 3.072 20 5 EGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)CC[S@](C)=O ZINC000271553946 455682130 /nfs/dbraw/zinc/68/21/30/455682130.db2.gz WFPCIHSTHJLAST-VJBOLBCHSA-N 1 0 344.502 3.212 20 5 EGBDRO Nc1ccc([N+](=O)[O-])c(NCc2ccccc2C[NH+]2CCCC2)c1 ZINC000192768199 455688832 /nfs/dbraw/zinc/68/88/32/455688832.db2.gz IFTLIKIMJMBOTB-UHFFFAOYSA-N 1 0 326.400 3.385 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000192913107 455716561 /nfs/dbraw/zinc/71/65/61/455716561.db2.gz HJTQTIMQURAHTG-MRXNPFEDSA-N 1 0 345.374 3.075 20 5 EGBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])[C@@H]1Oc1ccccc1 ZINC000186259028 455727524 /nfs/dbraw/zinc/72/75/24/455727524.db2.gz AJVZYBAQRXHEOJ-UHOSZYNNSA-N 1 0 342.395 3.309 20 5 EGBDRO CC(C)([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(F)c(F)c1 ZINC000271713446 455730983 /nfs/dbraw/zinc/73/09/83/455730983.db2.gz OETFXZFQOUILNB-MRXNPFEDSA-N 1 0 336.338 3.431 20 5 EGBDRO C[C@H]([NH2+]Cc1ccc(C(C)(C)O)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284949479 455767206 /nfs/dbraw/zinc/76/72/06/455767206.db2.gz FBDFMFBEMIDVPD-LBPRGKRZSA-N 1 0 329.400 3.255 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+][C@@H](CCO)c1ccco1)C1CC1 ZINC000186550513 455790983 /nfs/dbraw/zinc/79/09/83/455790983.db2.gz FTDOFAPYFJGZDR-JKSUJKDBSA-N 1 0 330.384 3.222 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@H](CCO)c1ccco1)C1CC1 ZINC000186550532 455791374 /nfs/dbraw/zinc/79/13/74/455791374.db2.gz FTDOFAPYFJGZDR-CVEARBPZSA-N 1 0 330.384 3.222 20 5 EGBDRO CC[C@@H]([NH2+][C@@H]1CCCN(c2ccnn2C)C1)c1cccc([N+](=O)[O-])c1 ZINC000278374241 455833060 /nfs/dbraw/zinc/83/30/60/455833060.db2.gz DRKMAZMFHCYMTB-NVXWUHKLSA-N 1 0 343.431 3.038 20 5 EGBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2C[C@H](c3ccccc3)[C@@H]3CCC[C@@H]32)c1 ZINC000285384926 455833090 /nfs/dbraw/zinc/83/30/90/455833090.db2.gz GXDFESZEEAGQLO-KSZLIROESA-N 1 0 326.400 3.059 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1CN(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285477631 455854084 /nfs/dbraw/zinc/85/40/84/455854084.db2.gz LAASPKADWXXYTO-FKEKPDDDSA-N 1 0 333.432 3.051 20 5 EGBDRO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000272479676 455964962 /nfs/dbraw/zinc/96/49/62/455964962.db2.gz MBHGWEVUCMMTSR-DZGCQCFKSA-N 1 0 349.431 3.330 20 5 EGBDRO CC1(C)CC(Nc2ncnc3sc([N+](=O)[O-])cc32)CC(C)(C)[NH2+]1 ZINC000286148484 455988293 /nfs/dbraw/zinc/98/82/93/455988293.db2.gz NYSYXOKBBFGQCY-UHFFFAOYSA-N 1 0 335.433 3.321 20 5 EGBDRO CC1=C(Br)CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000280526074 455989354 /nfs/dbraw/zinc/98/93/54/455989354.db2.gz CQNYYZKETSVANG-CQSZACIVSA-N 1 0 341.205 3.003 20 5 EGBDRO CCS[C@@H]1CCC[C@H]1[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000286228681 456003600 /nfs/dbraw/zinc/00/36/00/456003600.db2.gz RGCVOKAWOHIPKJ-ZIAGYGMSSA-N 1 0 348.428 3.409 20 5 EGBDRO CCCC[NH+]1CCC(NC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000296753083 456029261 /nfs/dbraw/zinc/02/92/61/456029261.db2.gz IIXXXHXMPYNWFN-AWEZNQCLSA-N 1 0 348.447 3.220 20 5 EGBDRO C[C@@H](CNc1ccc([N+](=O)[O-])cc1Br)[N@H+](C)C1CC1 ZINC000220098883 456037705 /nfs/dbraw/zinc/03/77/05/456037705.db2.gz QSRGVVQYVXHYKY-VIFPVBQESA-N 1 0 328.210 3.252 20 5 EGBDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2ccc(N)cc2[N+](=O)[O-])C1 ZINC000286427389 456046043 /nfs/dbraw/zinc/04/60/43/456046043.db2.gz BMQDINLIPJOHGI-LSDHHAIUSA-N 1 0 332.448 3.268 20 5 EGBDRO CC(=O)c1cc(N2CCC([NH+]3CCCCC3)CC2)ccc1[N+](=O)[O-] ZINC000286543526 456049538 /nfs/dbraw/zinc/04/95/38/456049538.db2.gz ZAMGUNBTKJIOIP-UHFFFAOYSA-N 1 0 331.416 3.252 20 5 EGBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000332417770 456073835 /nfs/dbraw/zinc/07/38/35/456073835.db2.gz MWOCYUMQJLYEGM-RKVPGOIHSA-N 1 0 345.443 3.001 20 5 EGBDRO Cc1cc(NCCC(=O)N2CCCCC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272828693 456083237 /nfs/dbraw/zinc/08/32/37/456083237.db2.gz KLWLAFUGXMBAMI-UHFFFAOYSA-N 1 0 342.399 3.266 20 5 EGBDRO COCCc1ncc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000601109786 460714690 /nfs/dbraw/zinc/71/46/90/460714690.db2.gz ZHSYWBSQQHJYBG-LBPRGKRZSA-N 1 0 335.429 3.399 20 5 EGBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000301558548 456146817 /nfs/dbraw/zinc/14/68/17/456146817.db2.gz TWVKKLXFUTXGMI-PWSUYJOCSA-N 1 0 331.338 3.390 20 5 EGBDRO CCC[C@@H]([NH2+]C[C@@H]1CCCN(C(C)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000281192676 456159293 /nfs/dbraw/zinc/15/92/93/456159293.db2.gz RJFQTYQMEGEWGW-MAUKXSAKSA-N 1 0 333.432 3.284 20 5 EGBDRO Cc1ccc([C@H](CNc2ccc([N+](=O)[O-])c(C)n2)[NH+]2CCCC2)o1 ZINC000301641106 456171850 /nfs/dbraw/zinc/17/18/50/456171850.db2.gz MHDKDQODIBQSAX-HNNXBMFYSA-N 1 0 330.388 3.449 20 5 EGBDRO Cc1nn(C)c(N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)c1[N+](=O)[O-] ZINC000301693000 456188823 /nfs/dbraw/zinc/18/88/23/456188823.db2.gz YNMWOBKOZCJDGF-AWEZNQCLSA-N 1 0 349.479 3.118 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)cc1 ZINC000189056010 456213403 /nfs/dbraw/zinc/21/34/03/456213403.db2.gz ZYLWEFQOGOUMBM-UHFFFAOYSA-N 1 0 340.358 3.269 20 5 EGBDRO Cc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2)[NH+]2CCCC2)o1 ZINC000263838429 456241169 /nfs/dbraw/zinc/24/11/69/456241169.db2.gz WIFNLUYBHKIDTH-MRXNPFEDSA-N 1 0 343.383 3.063 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCC[C@@H]([NH+]3CCCC3)C2)c(OC(F)F)c1 ZINC000302049197 456275430 /nfs/dbraw/zinc/27/54/30/456275430.db2.gz MTYIZZUVJBWLLV-CYBMUJFWSA-N 1 0 341.358 3.261 20 5 EGBDRO Cc1nccn1CCCN(C)c1cc(C)[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000302095256 456286014 /nfs/dbraw/zinc/28/60/14/456286014.db2.gz RRCXXFFSNPZSNQ-UHFFFAOYSA-N 1 0 339.399 3.483 20 5 EGBDRO O=C(NCC[NH+]1CCCCC1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000275717705 456294203 /nfs/dbraw/zinc/29/42/03/456294203.db2.gz SXLSJRPWXIGMKW-UHFFFAOYSA-N 1 0 349.434 3.309 20 5 EGBDRO COc1cc(NCC2(C[NH+](C)C)CCCC2)c(F)cc1[N+](=O)[O-] ZINC000302178398 456308274 /nfs/dbraw/zinc/30/82/74/456308274.db2.gz YCPAQKJPNPZIEV-UHFFFAOYSA-N 1 0 325.384 3.276 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1CN1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000352800105 456319497 /nfs/dbraw/zinc/31/94/97/456319497.db2.gz GSNMGNFOUOBWJS-WMLDXEAASA-N 1 0 333.432 3.052 20 5 EGBDRO Cc1cc(C(=O)Nc2ccccc2CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000275925979 456351344 /nfs/dbraw/zinc/35/13/44/456351344.db2.gz XNHFTGUDAHUJSZ-UHFFFAOYSA-N 1 0 327.384 3.260 20 5 EGBDRO O=[N+]([O-])c1ccccc1NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000302800285 456405679 /nfs/dbraw/zinc/40/56/79/456405679.db2.gz SPVVKWOVJUGICV-QGZVFWFLSA-N 1 0 341.411 3.298 20 5 EGBDRO C[NH+](C)CCc1ccc(CNC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000276244414 456423447 /nfs/dbraw/zinc/42/34/47/456423447.db2.gz CQGGBZCTTYNEKU-UHFFFAOYSA-N 1 0 342.399 3.021 20 5 EGBDRO C[C@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H](O)C(F)(F)F ZINC000601151350 460733260 /nfs/dbraw/zinc/73/32/60/460733260.db2.gz XIRVKUKZAIWUHI-XPTSAGLGSA-N 1 0 344.289 3.256 20 5 EGBDRO COc1cc(C[NH2+]CC2(C(F)(F)F)CCC2)c([N+](=O)[O-])cc1O ZINC000353090827 456483728 /nfs/dbraw/zinc/48/37/28/456483728.db2.gz VRAKOOYYFFAIRR-UHFFFAOYSA-N 1 0 334.294 3.131 20 5 EGBDRO CCN(CCC[NH+]1CCCC1)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000276527565 456506914 /nfs/dbraw/zinc/50/69/14/456506914.db2.gz YJXGEYAOZUWDKA-UHFFFAOYSA-N 1 0 339.823 3.196 20 5 EGBDRO CO[C@H]1C[C@@H](CN(C)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])[N@H+](C)C1 ZINC000343298949 456515290 /nfs/dbraw/zinc/51/52/90/456515290.db2.gz ACFNDQXXMNJNOU-QWRGUYRKSA-N 1 0 348.230 3.057 20 5 EGBDRO CC(C)CN(CC[NH+](C)C)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000340535790 456517077 /nfs/dbraw/zinc/51/70/77/456517077.db2.gz ODCYQQHIYFKYDC-UHFFFAOYSA-N 1 0 333.388 3.001 20 5 EGBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C[NH+](CC)CC ZINC000343323427 456531231 /nfs/dbraw/zinc/53/12/31/456531231.db2.gz TUBRJVMUPOEDHW-LBPRGKRZSA-N 1 0 339.461 3.167 20 5 EGBDRO COc1cc(C[N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)cc(OC)c1 ZINC000343324806 456533181 /nfs/dbraw/zinc/53/31/81/456533181.db2.gz XYEZPRPZCDRHLJ-UHFFFAOYSA-N 1 0 346.383 3.123 20 5 EGBDRO C[C@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1ccc2n[nH]cc2c1 ZINC000353170366 456537490 /nfs/dbraw/zinc/53/74/90/456537490.db2.gz GRGASJYMGOKKEC-LBPRGKRZSA-N 1 0 326.356 3.201 20 5 EGBDRO CN(Cc1ccc([S@](C)=O)cc1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282646007 456580198 /nfs/dbraw/zinc/58/01/98/456580198.db2.gz CAVQYKLUYQZYEY-QHCPKHFHSA-N 1 0 336.388 3.103 20 5 EGBDRO CC(C)(C)[NH+]1CCC(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC000299120022 456611466 /nfs/dbraw/zinc/61/14/66/456611466.db2.gz ZUBNCFUQFQJEOR-UHFFFAOYSA-N 1 0 344.415 3.069 20 5 EGBDRO C[C@@H]([NH2+]CCc1ccc2c(c1)OCCO2)c1ccccc1[N+](=O)[O-] ZINC000324044189 456660728 /nfs/dbraw/zinc/66/07/28/456660728.db2.gz SCPBASIKWXMDSU-CYBMUJFWSA-N 1 0 328.368 3.259 20 5 EGBDRO C[C@H](CNc1ncnc2ccc([N+](=O)[O-])cc21)C[NH+]1CCCCC1 ZINC000325534994 456683120 /nfs/dbraw/zinc/68/31/20/456683120.db2.gz RCMMOFZNGRJUKM-CYBMUJFWSA-N 1 0 329.404 3.072 20 5 EGBDRO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@H]3CCC[C@H]32)c([N+](=O)[O-])c1 ZINC000299428120 456690499 /nfs/dbraw/zinc/69/04/99/456690499.db2.gz XKKBHAMBALYZIF-CZUORRHYSA-N 1 0 347.415 3.197 20 5 EGBDRO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H]3CCC[C@H]32)c([N+](=O)[O-])c1 ZINC000299428124 456691440 /nfs/dbraw/zinc/69/14/40/456691440.db2.gz XKKBHAMBALYZIF-XJKSGUPXSA-N 1 0 347.415 3.197 20 5 EGBDRO CCS[C@@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000348477872 456704565 /nfs/dbraw/zinc/70/45/65/456704565.db2.gz KQUYLBACNAPRMR-GXTWGEPZSA-N 1 0 337.445 3.106 20 5 EGBDRO CC(C)(C)OC(=O)CCCC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000343571354 456714134 /nfs/dbraw/zinc/71/41/34/456714134.db2.gz IVPIVMQLIHNNDK-UHFFFAOYSA-N 1 0 334.416 3.465 20 5 EGBDRO CC[C@@H]1CC[C@@H](C)[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000299725145 456773934 /nfs/dbraw/zinc/77/39/34/456773934.db2.gz UEVQWRVHMFTEOC-CHWSQXEVSA-N 1 0 335.404 3.195 20 5 EGBDRO C[C@@H]1CCC[C@H]1C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000353600266 456793845 /nfs/dbraw/zinc/79/38/45/456793845.db2.gz YGRFIFXTBTUGMQ-KMFMINBZSA-N 1 0 328.416 3.444 20 5 EGBDRO COc1ccc(-c2ccc(C[N@H+](C)[C@@H]3CCCOC3)o2)c([N+](=O)[O-])c1 ZINC000348713591 456826024 /nfs/dbraw/zinc/82/60/24/456826024.db2.gz WSGZGRXDLUVNOB-CYBMUJFWSA-N 1 0 346.383 3.474 20 5 EGBDRO CCc1ccc(C(=O)NCC[C@@H](C)[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000344947489 456873450 /nfs/dbraw/zinc/87/34/50/456873450.db2.gz VSGMHRJSSSGPOE-CQSZACIVSA-N 1 0 333.432 3.152 20 5 EGBDRO C[N@@H+]1CC[C@]2(CCN(Cc3cc(Cl)cc(Cl)c3[N+](=O)[O-])C2)C1 ZINC000292173401 456876518 /nfs/dbraw/zinc/87/65/18/456876518.db2.gz PXAGKKGNIXOFKM-HNNXBMFYSA-N 1 0 344.242 3.429 20 5 EGBDRO O=C(NCCC[NH+]1CCCCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000339037589 456909948 /nfs/dbraw/zinc/90/99/48/456909948.db2.gz LOHOXSDZZUWQNJ-UHFFFAOYSA-N 1 0 340.811 3.246 20 5 EGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC[C@@H](O)C(C)C ZINC000349211799 456914289 /nfs/dbraw/zinc/91/42/89/456914289.db2.gz YOGWDZSQPUOBNF-UKRRQHHQSA-N 1 0 326.462 3.462 20 5 EGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](c1nccn1C)C1CC1 ZINC000353874090 456944489 /nfs/dbraw/zinc/94/44/89/456944489.db2.gz XNTWHKXRHPOJSK-GUYCJALGSA-N 1 0 328.416 3.390 20 5 EGBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[NH2+][C@@H]2CCO[C@@H]2C2CC2)c1 ZINC000339125424 456951878 /nfs/dbraw/zinc/95/18/78/456951878.db2.gz VNDFKAJMWBRGFM-ZIAGYGMSSA-N 1 0 330.306 3.271 20 5 EGBDRO O=C(c1ccccc1[N+](=O)[O-])N(CC[NH+]1CCCCCC1)C1CCC1 ZINC000345814714 456998572 /nfs/dbraw/zinc/99/85/72/456998572.db2.gz UUUSNJRVNZXLTG-UHFFFAOYSA-N 1 0 345.443 3.466 20 5 EGBDRO CC[C@@H](C)C[C@@H](CC)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000349685659 457015655 /nfs/dbraw/zinc/01/56/55/457015655.db2.gz OSPKEUQEWBMOOT-ZIAGYGMSSA-N 1 0 342.461 3.173 20 5 EGBDRO Cc1cnc(N2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000346645200 457089100 /nfs/dbraw/zinc/08/91/00/457089100.db2.gz BHLJALBKHYEQBB-HOTGVXAUSA-N 1 0 340.427 3.397 20 5 EGBDRO CC(=O)N[C@@H](C)C1CC[NH+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000331159179 457140955 /nfs/dbraw/zinc/14/09/55/457140955.db2.gz ZQQVRKZCZJFSSF-UONOGXRCSA-N 1 0 333.432 3.201 20 5 EGBDRO C[NH+](C)C[C@H](NCc1ccc([N+](=O)[O-])cc1F)c1ccc(F)cc1 ZINC000342183180 457154473 /nfs/dbraw/zinc/15/44/73/457154473.db2.gz BELCQVQJRPFDNL-KRWDZBQOSA-N 1 0 335.354 3.266 20 5 EGBDRO C[NH+](C)CCOc1ccccc1CNc1ccc(F)cc1[N+](=O)[O-] ZINC000350065226 457159183 /nfs/dbraw/zinc/15/91/83/457159183.db2.gz IJYGIOZJOWRENX-UHFFFAOYSA-N 1 0 333.363 3.286 20 5 EGBDRO CC[C@H](NC(=O)[C@@H](C)[N@H+]1[C@H](C)CC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000331312108 457164150 /nfs/dbraw/zinc/16/41/50/457164150.db2.gz CCQDUFKCLJRGID-OEUWWYETSA-N 1 0 333.432 3.423 20 5 EGBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H](CO)c2ccccc2Cl)cs1 ZINC000342293216 457218123 /nfs/dbraw/zinc/21/81/23/457218123.db2.gz ATRCENOFFPNGLH-LLVKDONJSA-N 1 0 326.805 3.175 20 5 EGBDRO CCN(CC[NH+]1CCCCCC1)C(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000331922807 457273355 /nfs/dbraw/zinc/27/33/55/457273355.db2.gz CHOCGUODLHVUJQ-UHFFFAOYSA-N 1 0 333.432 3.241 20 5 EGBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000347239406 457305692 /nfs/dbraw/zinc/30/56/92/457305692.db2.gz BTPOSXAGZKPHKR-RHSMWYFYSA-N 1 0 339.395 3.160 20 5 EGBDRO CCN(CCC[NH+](CC)CC)C(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000357109768 457327711 /nfs/dbraw/zinc/32/77/11/457327711.db2.gz JPFJFJLPVQLLSA-UHFFFAOYSA-N 1 0 335.448 3.026 20 5 EGBDRO CC(=Cc1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@H](c2nnc(C)[nH]2)C1 ZINC000347350411 457369144 /nfs/dbraw/zinc/36/91/44/457369144.db2.gz AVVQNCATRHUUMH-WQMJKPAKSA-N 1 0 341.415 3.304 20 5 EGBDRO COC(=O)c1cc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)cn1C ZINC000347620104 457554486 /nfs/dbraw/zinc/55/44/86/457554486.db2.gz YCOUGYXSWRVZJB-UHFFFAOYSA-N 1 0 345.399 3.131 20 5 EGBDRO C[C@@H]1COCCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000370183087 457578042 /nfs/dbraw/zinc/57/80/42/457578042.db2.gz KAKCQMOUZNWNDW-LBPRGKRZSA-N 1 0 333.413 3.187 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2nc(-c3cccc(C[NH+]4CCCC4)c3)no2)[nH]1 ZINC000356378447 457594619 /nfs/dbraw/zinc/59/46/19/457594619.db2.gz SBQFVEYILNIJHJ-UHFFFAOYSA-N 1 0 339.355 3.236 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC3(CCC3)[C@H]2C2CCOCC2)cc1 ZINC000425558909 457599714 /nfs/dbraw/zinc/59/97/14/457599714.db2.gz YISXIOFLKTYNGI-GOSISDBHSA-N 1 0 330.428 3.418 20 5 EGBDRO CC(C)[NH+](CCN(C)Cc1nc2cc([N+](=O)[O-])ccc2o1)C(C)C ZINC000356393488 457601946 /nfs/dbraw/zinc/60/19/46/457601946.db2.gz RTHBOSYMMIJYPO-UHFFFAOYSA-N 1 0 334.420 3.287 20 5 EGBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[C@H]1OC ZINC000361156847 457619194 /nfs/dbraw/zinc/61/91/94/457619194.db2.gz YVZLLXCPWDDEOR-KBAYOESNSA-N 1 0 346.383 3.137 20 5 EGBDRO CC[C@H]([NH2+][C@H]1CCc2nc(C)ncc2C1)c1cccc([N+](=O)[O-])c1 ZINC000374559789 457661205 /nfs/dbraw/zinc/66/12/05/457661205.db2.gz BKRXAQSQDYFJDA-RDJZCZTQSA-N 1 0 326.400 3.291 20 5 EGBDRO CC(C)(C)CC[NH+]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000361269164 457673074 /nfs/dbraw/zinc/67/30/74/457673074.db2.gz ZBGTZKPWMZLLRZ-UHFFFAOYSA-N 1 0 345.447 3.025 20 5 EGBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000358061659 457761273 /nfs/dbraw/zinc/76/12/73/457761273.db2.gz VVPRERAFFFDGMQ-UHFFFAOYSA-N 1 0 349.456 3.089 20 5 EGBDRO CCCOc1ccc(C(C)(C)[NH2+]CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000361553605 457793515 /nfs/dbraw/zinc/79/35/15/457793515.db2.gz QBJKTXAYXRKWDG-UHFFFAOYSA-N 1 0 332.404 3.105 20 5 EGBDRO CCc1nn(C)cc1C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433284951 457799009 /nfs/dbraw/zinc/79/90/09/457799009.db2.gz REQSEPNLBSCFAM-KRWDZBQOSA-N 1 0 328.416 3.403 20 5 EGBDRO Cc1cnc(CC[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)nc1 ZINC000433308278 457805880 /nfs/dbraw/zinc/80/58/80/457805880.db2.gz XRJHEWZGQISCBX-INIZCTEOSA-N 1 0 326.400 3.248 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@@H]3CCO[C@@H]3C3CC3)cs2)c1 ZINC000371221929 457829294 /nfs/dbraw/zinc/82/92/94/457829294.db2.gz ZQXOQKWONDIDDP-HZPDHXFCSA-N 1 0 345.424 3.375 20 5 EGBDRO CC[C@H]1C[C@H](C)C[N@@H+]1CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000411302406 457852449 /nfs/dbraw/zinc/85/24/49/457852449.db2.gz ORJKXVVCEZFNGO-STQMWFEESA-N 1 0 335.404 3.052 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1CN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000366605458 457866883 /nfs/dbraw/zinc/86/68/83/457866883.db2.gz CHQALROUMFXTJB-RDTXWAMCSA-N 1 0 345.443 3.052 20 5 EGBDRO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@@H]1CCCC[C@@H]1C ZINC000444671263 457933303 /nfs/dbraw/zinc/93/33/03/457933303.db2.gz ZONOPGVSKVOBOE-XJKSGUPXSA-N 1 0 349.431 3.443 20 5 EGBDRO CCCNC(=O)CCC[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000411784900 457977774 /nfs/dbraw/zinc/97/77/74/457977774.db2.gz HWNYOSPWPLXSPZ-MRXNPFEDSA-N 1 0 333.432 3.081 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1[C@H](C)CCC1(C)C ZINC000411799846 457982284 /nfs/dbraw/zinc/98/22/84/457982284.db2.gz BODQUJAAJMZAMM-GFCCVEGCSA-N 1 0 335.404 3.195 20 5 EGBDRO CSc1cccc(C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)c1[N+](=O)[O-] ZINC000434426121 457993588 /nfs/dbraw/zinc/99/35/88/457993588.db2.gz SCFJJBPDWRTLQE-CYBMUJFWSA-N 1 0 349.456 3.063 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1CCCCN1C1CC1 ZINC000434794045 458053171 /nfs/dbraw/zinc/05/31/71/458053171.db2.gz MMPXXTXPQAQONO-KRWDZBQOSA-N 1 0 333.432 3.100 20 5 EGBDRO CC[C@H]1C[N@H+](CC)CCN1C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000458526569 458082048 /nfs/dbraw/zinc/08/20/48/458082048.db2.gz XYAHGRHFSWFERP-ZBFHGGJFSA-N 1 0 348.447 3.090 20 5 EGBDRO CCO[C@H]1C[C@@H]([N@H+](C)Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1(C)C ZINC000362328902 458107863 /nfs/dbraw/zinc/10/78/63/458107863.db2.gz XAPWKXKOKCHQPI-CVEARBPZSA-N 1 0 340.395 3.378 20 5 EGBDRO [NH3+]C1CCN(Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC1 ZINC000435377191 458126549 /nfs/dbraw/zinc/12/65/49/458126549.db2.gz YZBDJKPGSKZBNT-UHFFFAOYSA-N 1 0 345.374 3.449 20 5 EGBDRO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000371942803 458132808 /nfs/dbraw/zinc/13/28/08/458132808.db2.gz HTHJCNROHBRMRY-SFHVURJKSA-N 1 0 344.415 3.243 20 5 EGBDRO CO[C@@H]1CCC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000376067103 458182966 /nfs/dbraw/zinc/18/29/66/458182966.db2.gz KGMLLBKTIPIVSO-MRXNPFEDSA-N 1 0 331.372 3.251 20 5 EGBDRO CC[N@@H+]1CCCC[C@@H]1CNc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000436400595 458299559 /nfs/dbraw/zinc/29/95/59/458299559.db2.gz PDZMUNDFGVROSM-SNVBAGLBSA-N 1 0 332.326 3.295 20 5 EGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCOc2ccccc2F)n1 ZINC000447512868 458302452 /nfs/dbraw/zinc/30/24/52/458302452.db2.gz QZFAXGCXZVTCIM-HUUCEWRRSA-N 1 0 348.378 3.083 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](CCO)[C@H]1CC[C@H](C)C1 ZINC000429758764 458367489 /nfs/dbraw/zinc/36/74/89/458367489.db2.gz JOBLUSQIMIDAHC-HOCLYGCPSA-N 1 0 336.432 3.365 20 5 EGBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000429810231 458373711 /nfs/dbraw/zinc/37/37/11/458373711.db2.gz UECGEIRDBGBWEL-HNNXBMFYSA-N 1 0 347.459 3.109 20 5 EGBDRO O=C(c1cc2ccccc2c2cccnc12)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000373057854 458388193 /nfs/dbraw/zinc/38/81/93/458388193.db2.gz PQVFPWODYOAULZ-AUUYWEPGSA-N 1 0 331.419 3.212 20 5 EGBDRO COCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1OC)C[C@H]1CC=CCC1 ZINC000430244937 458427332 /nfs/dbraw/zinc/42/73/32/458427332.db2.gz RFGMPUVGYIXUKG-HNNXBMFYSA-N 1 0 334.416 3.408 20 5 EGBDRO NC[C@H]([NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000423513114 458447323 /nfs/dbraw/zinc/44/73/23/458447323.db2.gz VEAMXDPACOEGIU-SZMVWBNQSA-N 1 0 331.460 3.413 20 5 EGBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc4ccccc4c4cccnc34)C[C@@H]21 ZINC000453042856 458518167 /nfs/dbraw/zinc/51/81/67/458518167.db2.gz WOFSRLIMYRVLAT-BEFAXECRSA-N 1 0 331.419 3.164 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(CN3C[C@H]4CCC[C@@H](C3)[NH2+]4)o2)cc1 ZINC000437999921 458520451 /nfs/dbraw/zinc/52/04/51/458520451.db2.gz HASHULSZKFGWLY-GASCZTMLSA-N 1 0 327.384 3.181 20 5 EGBDRO Cc1ccc(C(=O)Nc2nc(C3CC[NH2+]CC3)cs2)cc1[N+](=O)[O-] ZINC000423981802 458530924 /nfs/dbraw/zinc/53/09/24/458530924.db2.gz XTVSGDAOBFOAHF-UHFFFAOYSA-N 1 0 346.412 3.079 20 5 EGBDRO CC(C)c1ccc(C[N@@H+]2CC[C@H](c3nccn3C)C2)cc1[N+](=O)[O-] ZINC000377887650 458564631 /nfs/dbraw/zinc/56/46/31/458564631.db2.gz GLJMCLFPYFRCTL-HNNXBMFYSA-N 1 0 328.416 3.441 20 5 EGBDRO Cn1cc(C[NH2+][C@@H]2C[C@H]2C2CCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000424208714 458583858 /nfs/dbraw/zinc/58/38/58/458583858.db2.gz YSBJDDQQTVEZOT-DLBZAZTESA-N 1 0 326.400 3.274 20 5 EGBDRO CCCN(Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@H]1CC[NH2+]C1 ZINC000469990568 458604773 /nfs/dbraw/zinc/60/47/73/458604773.db2.gz JOBAZWRPXHHKOP-AWEZNQCLSA-N 1 0 329.400 3.429 20 5 EGBDRO CCOC(=O)[C@@H]1CCC[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000470174118 458620785 /nfs/dbraw/zinc/62/07/85/458620785.db2.gz QOGAVDNWYMGCOW-SCOADAFUSA-N 1 0 332.400 3.273 20 5 EGBDRO CCC[NH+]1CCC(NC(=O)[C@H](CC)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000462755019 458649784 /nfs/dbraw/zinc/64/97/84/458649784.db2.gz SHVNBWRJPOPHEL-MRXNPFEDSA-N 1 0 347.459 3.154 20 5 EGBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCC[N@H+](CC)C1 ZINC000462762783 458651791 /nfs/dbraw/zinc/65/17/91/458651791.db2.gz OAKATCBVVZRAMS-IAGOWNOFSA-N 1 0 347.459 3.012 20 5 EGBDRO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494489888 458688646 /nfs/dbraw/zinc/68/86/46/458688646.db2.gz BOQVKUQQEOVLRD-HFAKWTLXSA-N 1 0 345.365 3.432 20 5 EGBDRO CCc1ccc(C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000471338119 458689896 /nfs/dbraw/zinc/68/98/96/458689896.db2.gz WVOJUIMMLMMFBF-ZIAGYGMSSA-N 1 0 333.432 3.150 20 5 EGBDRO C[C@H]1C[C@H](O)C[N@@H+]1Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000471813926 458736163 /nfs/dbraw/zinc/73/61/63/458736163.db2.gz ZQEDNCABRWVQSP-YOEHRIQHSA-N 1 0 341.411 3.318 20 5 EGBDRO O=[N+]([O-])c1cccc(N2CCN(Cc3scnc3C3CC3)CC2)c1 ZINC000495164116 458804853 /nfs/dbraw/zinc/80/48/53/458804853.db2.gz MFKJZWUPNRKQDT-UHFFFAOYSA-N 1 0 344.440 3.251 20 5 EGBDRO CCC[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000466482576 458901647 /nfs/dbraw/zinc/90/16/47/458901647.db2.gz NTRVBHWMJLOEDL-CQSZACIVSA-N 1 0 349.431 3.444 20 5 EGBDRO CCC[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](CC)c1ccccc1 ZINC000441285261 458912597 /nfs/dbraw/zinc/91/25/97/458912597.db2.gz LLMCAYYOTUQLOS-QZTJIDSGSA-N 1 0 346.431 3.016 20 5 EGBDRO CCC(CC)[C@@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)N1CCOCC1 ZINC000467832383 458989011 /nfs/dbraw/zinc/98/90/11/458989011.db2.gz QUKPVBJPTGVSEU-DNVCBOLYSA-N 1 0 349.475 3.382 20 5 EGBDRO C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2OC(F)F)C[N@@H+]1C1CC1 ZINC000577432826 459031844 /nfs/dbraw/zinc/03/18/44/459031844.db2.gz ICPHZSZYKOWLBV-VHSXEESVSA-N 1 0 327.331 3.233 20 5 EGBDRO CNC(=O)c1ccc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000532202223 459045675 /nfs/dbraw/zinc/04/56/75/459045675.db2.gz KXPWFUMZRSKNGI-ZDUSSCGKSA-N 1 0 327.384 3.114 20 5 EGBDRO C[C@@H](C(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000567207911 459063170 /nfs/dbraw/zinc/06/31/70/459063170.db2.gz UUMJCGLQUSGWGX-SPYBWZPUSA-N 1 0 347.459 3.325 20 5 EGBDRO C[S@](=O)Cc1ccc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000594516727 459074515 /nfs/dbraw/zinc/07/45/15/459074515.db2.gz DBTOQKRHMBEDLD-OSPHWJPCSA-N 1 0 344.436 3.250 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H](CO)C3CCCC3)o2)cc1 ZINC000557531179 459081232 /nfs/dbraw/zinc/08/12/32/459081232.db2.gz WQKUHFLVNMKOON-QGZVFWFLSA-N 1 0 330.384 3.496 20 5 EGBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC(C)(C)[C@H]3CCC[C@@H]32)c1 ZINC000590379655 459122903 /nfs/dbraw/zinc/12/29/03/459122903.db2.gz KOLWVLIFAJDLGE-HOCLYGCPSA-N 1 0 332.400 3.392 20 5 EGBDRO CO[C@](C)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1)COCc1ccccc1 ZINC000594974960 459202913 /nfs/dbraw/zinc/20/29/13/459202913.db2.gz OWQRWKQJTZUPIV-LJQANCHMSA-N 1 0 344.411 3.306 20 5 EGBDRO COc1ccc(CN[C@H]2CC[N@@H+](C3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000594978273 459204391 /nfs/dbraw/zinc/20/43/91/459204391.db2.gz RSIDTFNAICFNLJ-HNNXBMFYSA-N 1 0 333.432 3.100 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@@H](CO)CC2CC2)o1 ZINC000594983083 459205072 /nfs/dbraw/zinc/20/50/72/459205072.db2.gz JXZHTNDTKKDIGK-AWEZNQCLSA-N 1 0 330.384 3.353 20 5 EGBDRO C[C@@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H]2CCCC[C@H]12 ZINC000533238759 459205185 /nfs/dbraw/zinc/20/51/85/459205185.db2.gz KDCCVIDTWZNLOQ-WQVCFCJDSA-N 1 0 331.416 3.094 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](CC(C)C)C1CCCC1 ZINC000533254959 459207903 /nfs/dbraw/zinc/20/79/03/459207903.db2.gz RUEFIFKCDWWNHQ-UHFFFAOYSA-N 1 0 349.431 3.443 20 5 EGBDRO COc1ccc(OCC[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000595003846 459211113 /nfs/dbraw/zinc/21/11/13/459211113.db2.gz LGSZDUYZCGNVBH-ZDUSSCGKSA-N 1 0 346.383 3.342 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCCN1CCCCCC1=O ZINC000595004672 459212321 /nfs/dbraw/zinc/21/23/21/459212321.db2.gz RLRIYMCGDLFKLX-AWEZNQCLSA-N 1 0 349.431 3.047 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H](C)Cn1ccnc1C ZINC000595015567 459217119 /nfs/dbraw/zinc/21/71/19/459217119.db2.gz ZBYLEQNKKZOVEU-QWHCGFSZSA-N 1 0 332.404 3.095 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H](C)COCC(F)(F)F ZINC000595018036 459217303 /nfs/dbraw/zinc/21/73/03/459217303.db2.gz ZXNAXPLXUOVAQB-NXEZZACHSA-N 1 0 336.310 3.221 20 5 EGBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCCc1ccco1 ZINC000595093972 459243055 /nfs/dbraw/zinc/24/30/55/459243055.db2.gz QPYQVZWFDYWYSS-CYBMUJFWSA-N 1 0 331.372 3.127 20 5 EGBDRO COc1cccc(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1C ZINC000595102290 459245233 /nfs/dbraw/zinc/24/52/33/459245233.db2.gz DXUGEJZUKYMGOP-HZPDHXFCSA-N 1 0 344.415 3.382 20 5 EGBDRO O=[N+]([O-])c1ccc(OCC[NH2+]C2(c3ccccc3)CCOCC2)cc1 ZINC000533517586 459245827 /nfs/dbraw/zinc/24/58/27/459245827.db2.gz NUPWNJUFSRIWNP-UHFFFAOYSA-N 1 0 342.395 3.269 20 5 EGBDRO COc1ccc(NC(=O)C[N@@H+]2CC(C)(C)[C@H]3CCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000559424514 459259615 /nfs/dbraw/zinc/25/96/15/459259615.db2.gz BVYVXQLFPLFQQW-ZFWWWQNUSA-N 1 0 347.415 3.052 20 5 EGBDRO Cc1ccc([C@H](C)NC(=O)C[C@@H]2[NH2+]Cc3ccccc32)cc1[N+](=O)[O-] ZINC000595254983 459262607 /nfs/dbraw/zinc/26/26/07/459262607.db2.gz RENZUTPXMYXBSX-GUYCJALGSA-N 1 0 339.395 3.315 20 5 EGBDRO C[C@@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](C)C1 ZINC000523527984 459312118 /nfs/dbraw/zinc/31/21/18/459312118.db2.gz CMCVBIYFOAWCTM-GJZGRUSLSA-N 1 0 347.459 3.109 20 5 EGBDRO Cc1c(NC(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000591272254 459344563 /nfs/dbraw/zinc/34/45/63/459344563.db2.gz PUURKVZJAIQPKA-HUUCEWRRSA-N 1 0 346.431 3.147 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000591271650 459344847 /nfs/dbraw/zinc/34/48/47/459344847.db2.gz BKKAXTFLFBJJIO-CABCVRRESA-N 1 0 346.431 3.147 20 5 EGBDRO COc1ncc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])cc1Cl ZINC000560488273 459357066 /nfs/dbraw/zinc/35/70/66/459357066.db2.gz CHTAMGWETNXJAH-UHFFFAOYSA-N 1 0 335.791 3.326 20 5 EGBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2C[C@@H]3C[C@H](O)CC[C@@H]3C2)c1 ZINC000595636825 459378750 /nfs/dbraw/zinc/37/87/50/459378750.db2.gz TYFSQHIWEJUFOP-UHIISALHSA-N 1 0 344.333 3.206 20 5 EGBDRO CC[C@H](C)[C@@H]1CCCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000524811732 459396795 /nfs/dbraw/zinc/39/67/95/459396795.db2.gz IJMLJLIRYMBLAM-LESCRADOSA-N 1 0 336.432 3.235 20 5 EGBDRO COc1ccc(OCCOc2ccc([C@@H](C)[NH3+])cc2)c([N+](=O)[O-])c1 ZINC000591687363 459422596 /nfs/dbraw/zinc/42/25/96/459422596.db2.gz SSPWSSUWWLYUSU-GFCCVEGCSA-N 1 0 332.356 3.081 20 5 EGBDRO O=C1CCCC12CC[NH+](CCCOc1ccc([N+](=O)[O-])cc1)CC2 ZINC000595809306 459449034 /nfs/dbraw/zinc/44/90/34/459449034.db2.gz ZTHGBKJPKTXFDY-UHFFFAOYSA-N 1 0 332.400 3.199 20 5 EGBDRO COc1ccc(C[N@@H+]2CC[C@H](N(C)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000595827972 459455864 /nfs/dbraw/zinc/45/58/64/459455864.db2.gz SIIQPYJBCBLGGD-KRWDZBQOSA-N 1 0 341.411 3.314 20 5 EGBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CCCCS1 ZINC000541556451 459466479 /nfs/dbraw/zinc/46/64/79/459466479.db2.gz IZTGUEVLVCHVHW-WFASDCNBSA-N 1 0 337.445 3.187 20 5 EGBDRO C[C@@]1(Cc2cccc(F)c2)CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000583082399 459480226 /nfs/dbraw/zinc/48/02/26/459480226.db2.gz VLXFVWBVPKSEFA-KRWDZBQOSA-N 1 0 332.379 3.028 20 5 EGBDRO CC[NH+](CC)[C@H](CNc1cc[nH]c(=O)c1[N+](=O)[O-])c1ccccc1 ZINC000596052721 459502178 /nfs/dbraw/zinc/50/21/78/459502178.db2.gz IKPIRYFWUIMFPT-OAHLLOKOSA-N 1 0 330.388 3.190 20 5 EGBDRO CC[NH+](CC)Cc1ccc(CNc2cc[nH]c(=O)c2[N+](=O)[O-])cc1 ZINC000596061635 459504846 /nfs/dbraw/zinc/50/48/46/459504846.db2.gz BVQDSMVTVOQHFN-UHFFFAOYSA-N 1 0 330.388 3.149 20 5 EGBDRO CC(C)C[N@@H+]1CCO[C@H](CNc2ccc(C(F)F)cc2[N+](=O)[O-])C1 ZINC000596059250 459505353 /nfs/dbraw/zinc/50/53/53/459505353.db2.gz NTNNKBYYZUEARP-CYBMUJFWSA-N 1 0 343.374 3.301 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCCN3c4ccccc4C[C@H]3C2)cc1 ZINC000562045210 459505955 /nfs/dbraw/zinc/50/59/55/459505955.db2.gz ACPFSPNUMKHRJL-IBGZPJMESA-N 1 0 337.423 3.274 20 5 EGBDRO CC1CC([NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000562071782 459509194 /nfs/dbraw/zinc/50/91/94/459509194.db2.gz RKQVZRNBECYVFP-UHFFFAOYSA-N 1 0 346.168 3.088 20 5 EGBDRO CC[NH+](CC)[C@@H](CNc1cc[nH]c(=O)c1[N+](=O)[O-])Cc1ccccc1 ZINC000596078637 459510968 /nfs/dbraw/zinc/51/09/68/459510968.db2.gz YDUPQYDVXAHFBC-OAHLLOKOSA-N 1 0 344.415 3.060 20 5 EGBDRO CC(C)CC[C@@H]1CCC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000486795570 459521104 /nfs/dbraw/zinc/52/11/04/459521104.db2.gz QGGSSESQOUNTDJ-INIZCTEOSA-N 1 0 333.432 3.458 20 5 EGBDRO COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2CCC(C)C)c([N+](=O)[O-])c1 ZINC000486792818 459521277 /nfs/dbraw/zinc/52/12/77/459521277.db2.gz HFZSSIDWLCMSLY-CQSZACIVSA-N 1 0 349.431 3.443 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](COC(N)=O)Cc1ccccc1 ZINC000497302134 459521372 /nfs/dbraw/zinc/52/13/72/459521372.db2.gz UQXKCNJQGQLDTA-MRXNPFEDSA-N 1 0 343.383 3.113 20 5 EGBDRO C[C@@H](Cc1ccsc1)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000542155436 459529791 /nfs/dbraw/zinc/52/97/91/459529791.db2.gz OSEPAKWBRCDQRY-GXTWGEPZSA-N 1 0 332.429 3.169 20 5 EGBDRO Cc1cc(NCCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c([N+](=O)[O-])s1 ZINC000596156430 459541455 /nfs/dbraw/zinc/54/14/55/459541455.db2.gz QJFNQFHVNYPHNG-VXGBXAGGSA-N 1 0 327.450 3.266 20 5 EGBDRO O=[N+]([O-])c1cnc(N2CCC([NH2+]Cc3ccccc3)CC2)c(Cl)c1 ZINC000596253126 459575470 /nfs/dbraw/zinc/57/54/70/459575470.db2.gz WZGDPFXURKIEEM-UHFFFAOYSA-N 1 0 346.818 3.402 20 5 EGBDRO CC[N@@H+]1C[C@H](C)N(C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000498230763 459575664 /nfs/dbraw/zinc/57/56/64/459575664.db2.gz BLIBYLRJEDJIMU-KKUMJFAQSA-N 1 0 348.447 3.088 20 5 EGBDRO CC[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)NCc1cccs1 ZINC000592396761 459591556 /nfs/dbraw/zinc/59/15/56/459591556.db2.gz QZAJQJQEVAFVOM-LRDDRELGSA-N 1 0 347.440 3.402 20 5 EGBDRO COc1ccc(-c2ccc(CN3CCC(C)([NH3+])CC3)o2)c([N+](=O)[O-])c1 ZINC000592431558 459600342 /nfs/dbraw/zinc/60/03/42/459600342.db2.gz HVTMAORLSQGLAD-UHFFFAOYSA-N 1 0 345.399 3.177 20 5 EGBDRO Cc1cc(N2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000499641268 459643236 /nfs/dbraw/zinc/64/32/36/459643236.db2.gz AZJURUPJHAIUBP-HOTGVXAUSA-N 1 0 340.427 3.397 20 5 EGBDRO C[C@@H](C[NH+]1CCC(C)CC1)Nc1ncnc2cccc([N+](=O)[O-])c21 ZINC000596487304 459654458 /nfs/dbraw/zinc/65/44/58/459654458.db2.gz GHWUDENKOQVKCL-ZDUSSCGKSA-N 1 0 329.404 3.070 20 5 EGBDRO Cc1c(NC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000573384356 459668512 /nfs/dbraw/zinc/66/85/12/459668512.db2.gz XCNKBWPKVMDIEA-INIZCTEOSA-N 1 0 339.395 3.364 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1NC[C@@H]1CCC[N@H+](CC3CC3)C1)CCN2 ZINC000596570008 459679970 /nfs/dbraw/zinc/67/99/70/459679970.db2.gz GLTZXIBCPNBQIN-AWEZNQCLSA-N 1 0 330.432 3.097 20 5 EGBDRO COc1ccc(NC(=O)CC[NH2+]C2[C@@H](C)CCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000584259011 459692352 /nfs/dbraw/zinc/69/23/52/459692352.db2.gz REUDBHBJLLCDLW-STQMWFEESA-N 1 0 349.431 3.346 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000596633827 459706163 /nfs/dbraw/zinc/70/61/63/459706163.db2.gz CXXAZIKGTDFATD-UHFFFAOYSA-N 1 0 346.431 3.147 20 5 EGBDRO CC(C)c1cccc(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000573678035 459716358 /nfs/dbraw/zinc/71/63/58/459716358.db2.gz HTVHIFMMBWTXNX-QGZVFWFLSA-N 1 0 344.411 3.248 20 5 EGBDRO Cc1cc(C(=O)N(CC[NH+](C)C)CC2CCCCC2)cc([N+](=O)[O-])c1 ZINC000501235353 459717947 /nfs/dbraw/zinc/71/79/47/459717947.db2.gz CZZUUPUFLLLGOJ-UHFFFAOYSA-N 1 0 347.459 3.487 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000573767141 459730325 /nfs/dbraw/zinc/73/03/25/459730325.db2.gz TWDMRBNMHUGGDJ-MRXNPFEDSA-N 1 0 346.431 3.249 20 5 EGBDRO CC[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@@H](CC)CO1 ZINC000593058748 459759058 /nfs/dbraw/zinc/75/90/58/459759058.db2.gz NQVGHZFUKVMISY-GOEBONIOSA-N 1 0 349.431 3.121 20 5 EGBDRO CC(C)n1cc([C@@H](C)[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])cn1 ZINC000544467979 459762648 /nfs/dbraw/zinc/76/26/48/459762648.db2.gz HKTBLWFGOQUTJG-CYBMUJFWSA-N 1 0 345.403 3.052 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000596913413 459794253 /nfs/dbraw/zinc/79/42/53/459794253.db2.gz XKMFFMPPOJTTPK-ZDUSSCGKSA-N 1 0 348.447 3.399 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N(C)CC[NH+]1CCCCC1 ZINC000593182023 459799841 /nfs/dbraw/zinc/79/98/41/459799841.db2.gz TVDXXANSGMNQIW-UHFFFAOYSA-N 1 0 334.420 3.161 20 5 EGBDRO CC[N@H+](CCCNC(=O)c1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000593252339 459820720 /nfs/dbraw/zinc/82/07/20/459820720.db2.gz XMKGQYWEBJXRLX-UHFFFAOYSA-N 1 0 333.432 3.369 20 5 EGBDRO CC1CC[NH+](CCCNc2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000587036393 459890832 /nfs/dbraw/zinc/89/08/32/459890832.db2.gz YBSAEXAUIVAWDT-UHFFFAOYSA-N 1 0 335.433 3.133 20 5 EGBDRO CCCN(CC[NH+]1CCCCC1)c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000588073593 459909317 /nfs/dbraw/zinc/90/93/17/459909317.db2.gz DQCYUDVXQXIFOD-UHFFFAOYSA-N 1 0 343.431 3.240 20 5 EGBDRO Cc1ccccc1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602501043 459970510 /nfs/dbraw/zinc/97/05/10/459970510.db2.gz CPTUFZLYZNNGSH-UHFFFAOYSA-N 1 0 326.400 3.057 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[NH2+]CC2(c3ccccc3)CCOCC2)cc1 ZINC000602511937 459976761 /nfs/dbraw/zinc/97/67/61/459976761.db2.gz SFFPFNVXCRRJLA-UHFFFAOYSA-N 1 0 340.423 3.475 20 5 EGBDRO CC[C@H](C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000575495199 459978873 /nfs/dbraw/zinc/97/88/73/459978873.db2.gz HEWSZMQXEPDYAJ-WBVHZDCISA-N 1 0 344.411 3.118 20 5 EGBDRO CC(C)(C)[N@@H+]1CCCN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000609560698 459982679 /nfs/dbraw/zinc/98/26/79/459982679.db2.gz UIBOJYJVFHKPDA-UHFFFAOYSA-N 1 0 328.416 3.454 20 5 EGBDRO C[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@@H]1CO ZINC000598678442 459989619 /nfs/dbraw/zinc/98/96/19/459989619.db2.gz YKDPOMPBJGNMPV-UONOGXRCSA-N 1 0 330.384 3.305 20 5 EGBDRO C[C@H]1C[C@@H](NCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000602563386 459999962 /nfs/dbraw/zinc/99/99/62/459999962.db2.gz ZNFCUYJYFDVAOK-GWCFXTLKSA-N 1 0 331.338 3.186 20 5 EGBDRO CC(C)c1ccc(C(=O)N(C)CC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000593881894 460008284 /nfs/dbraw/zinc/00/82/84/460008284.db2.gz FBAHYBPWBPESQV-UHFFFAOYSA-N 1 0 333.432 3.276 20 5 EGBDRO Cc1csc([C@@H](C)C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)n1 ZINC000602614229 460022534 /nfs/dbraw/zinc/02/25/34/460022534.db2.gz NBNSIBPNDBBYMJ-VIFPVBQESA-N 1 0 332.385 3.394 20 5 EGBDRO O=[N+]([O-])c1sc(C[NH2+][C@@H]2CCC[C@H]2CCO)cc1Br ZINC000602626571 460029716 /nfs/dbraw/zinc/02/97/16/460029716.db2.gz ZQUBMZCIGWTZRZ-GZMMTYOYSA-N 1 0 349.250 3.060 20 5 EGBDRO C[NH+](C)C1(CNc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)CCOCC1 ZINC000589112975 460032858 /nfs/dbraw/zinc/03/28/58/460032858.db2.gz ICTKCKCFIYPBOQ-UHFFFAOYSA-N 1 0 347.337 3.136 20 5 EGBDRO CC(C)[N@H+](C)CC1CCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000609894778 460036990 /nfs/dbraw/zinc/03/69/90/460036990.db2.gz STRUUGSCSBKAEI-UHFFFAOYSA-N 1 0 326.828 3.200 20 5 EGBDRO C[C@H](O)C[C@H]1CCCCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602660614 460051085 /nfs/dbraw/zinc/05/10/85/460051085.db2.gz GMZSZFWGGRWZIB-QWHCGFSZSA-N 1 0 333.388 3.252 20 5 EGBDRO CC(C)C[C@@H](C[NH+]1CCCC1)NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602672043 460058591 /nfs/dbraw/zinc/05/85/91/460058591.db2.gz CPIKPMAITYERPK-AWEZNQCLSA-N 1 0 346.431 3.336 20 5 EGBDRO CC[C@H]1CCC[C@@H]1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602679988 460061179 /nfs/dbraw/zinc/06/11/79/460061179.db2.gz MUNLBLOYEOMDFO-LSDHHAIUSA-N 1 0 332.448 3.375 20 5 EGBDRO CC(C)c1cc(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)on1 ZINC000618568450 460064526 /nfs/dbraw/zinc/06/45/26/460064526.db2.gz UIISMPSAXJAFHL-HIFRSBDPSA-N 1 0 333.392 3.176 20 5 EGBDRO COc1cc(C[N@@H+]2C[C@H](C)C[C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000610133517 460068129 /nfs/dbraw/zinc/06/81/29/460068129.db2.gz ZICHOWIFCZJVRQ-NXEZZACHSA-N 1 0 330.331 3.435 20 5 EGBDRO CC(C)c1ccc(C[NH2+]Cc2ccc(CC(N)=O)cc2)cc1[N+](=O)[O-] ZINC000589320692 460072310 /nfs/dbraw/zinc/07/23/10/460072310.db2.gz DSWVUMVOFJKYLM-UHFFFAOYSA-N 1 0 341.411 3.036 20 5 EGBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000597861915 460084514 /nfs/dbraw/zinc/08/45/14/460084514.db2.gz YBNCYRMAVAGZCS-NSHDSACASA-N 1 0 339.823 3.098 20 5 EGBDRO CCCN(C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CC[NH2+]CC1 ZINC000598915487 460091532 /nfs/dbraw/zinc/09/15/32/460091532.db2.gz MUBWBTSIZMKZHK-UHFFFAOYSA-N 1 0 340.811 3.244 20 5 EGBDRO CCC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])Cc1ccc(OC)cc1 ZINC000602767064 460113351 /nfs/dbraw/zinc/11/33/51/460113351.db2.gz VAMWFVBXYQTANX-UHFFFAOYSA-N 1 0 332.404 3.021 20 5 EGBDRO C=Cc1ccc(CC[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 ZINC000589736933 460133205 /nfs/dbraw/zinc/13/32/05/460133205.db2.gz FZQNLDUREXANGS-UHFFFAOYSA-N 1 0 340.379 3.341 20 5 EGBDRO C[N@@H+]1CCCC[C@H](CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000599140654 460172525 /nfs/dbraw/zinc/17/25/25/460172525.db2.gz XDTRDXHKWLYCEV-LLVKDONJSA-N 1 0 329.347 3.340 20 5 EGBDRO C[C@H](CCc1ccco1)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000576628361 460180661 /nfs/dbraw/zinc/18/06/61/460180661.db2.gz WNQNFEGNDIYOEC-CYBMUJFWSA-N 1 0 331.372 3.127 20 5 EGBDRO Cc1c(C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000598220897 460211705 /nfs/dbraw/zinc/21/17/05/460211705.db2.gz QYEBXVVZXCEKMC-AWEZNQCLSA-N 1 0 331.416 3.040 20 5 EGBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000610718199 460223490 /nfs/dbraw/zinc/22/34/90/460223490.db2.gz PARPTOYGLLZSLU-CQSZACIVSA-N 1 0 334.420 3.208 20 5 EGBDRO COc1ccc(OCC[N@H+]2C[C@@H](C)C(F)(F)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000599511582 460265382 /nfs/dbraw/zinc/26/53/82/460265382.db2.gz ARMSCKDCJDNKDE-TXEJJXNPSA-N 1 0 344.358 3.205 20 5 EGBDRO C[C@H]1CC(F)(F)CC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000599621606 460289175 /nfs/dbraw/zinc/28/91/75/460289175.db2.gz BQGWQODRSIBXBS-NSHDSACASA-N 1 0 327.331 3.043 20 5 EGBDRO CC[C@@H]([NH2+][C@H](C(=O)N1CCCC1)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000611335794 460338280 /nfs/dbraw/zinc/33/82/80/460338280.db2.gz MEBHUGZECCWHGE-SJORKVTESA-N 1 0 333.432 3.283 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](c1ccnn1C)C(C)C ZINC000615943158 460432822 /nfs/dbraw/zinc/43/28/22/460432822.db2.gz LVRWVVOEKNERPW-INIZCTEOSA-N 1 0 346.431 3.256 20 5 EGBDRO C[C@H](C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1)C(C)(C)C ZINC000619843817 460453719 /nfs/dbraw/zinc/45/37/19/460453719.db2.gz NFNQSLDXXCWHJP-GFCCVEGCSA-N 1 0 339.461 3.096 20 5 EGBDRO C[N@@H+]1CCCC[C@@H](CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000600313473 460470738 /nfs/dbraw/zinc/47/07/38/460470738.db2.gz XRPLYKPNEQBXOO-LBPRGKRZSA-N 1 0 347.440 3.271 20 5 EGBDRO C[C@H](C(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000617698833 460958101 /nfs/dbraw/zinc/95/81/01/460958101.db2.gz VEHCQYNAYTYLTR-KKUMJFAQSA-N 1 0 333.432 3.077 20 5 EGBDRO [NH3+]CC1(CC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000184183225 534587701 /nfs/dbraw/zinc/58/77/01/534587701.db2.gz WACLMASVFCCNTI-UHFFFAOYSA-N 1 0 347.459 3.333 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000130503783 534887675 /nfs/dbraw/zinc/88/76/75/534887675.db2.gz UNBAMJXZVSNLPK-ONIAQPFYSA-N 1 0 332.444 3.447 20 5 EGBDRO CC(=O)Nc1cccc(OCC[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000178654084 527076113 /nfs/dbraw/zinc/07/61/13/527076113.db2.gz RYRWDYYLGHSGFL-ZDUSSCGKSA-N 1 0 343.383 3.283 20 5 EGBDRO CC[NH+](CC)[C@H]1CCN(C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)C1 ZINC000191338470 528285293 /nfs/dbraw/zinc/28/52/93/528285293.db2.gz AIXXFELKAWZTRT-AWEZNQCLSA-N 1 0 334.420 3.160 20 5 EGBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2c(C)nn(C)c2C)cc1[N+](=O)[O-] ZINC000153445500 528597058 /nfs/dbraw/zinc/59/70/58/528597058.db2.gz QKYUCGJOPHJWMX-LLVKDONJSA-N 1 0 332.404 3.195 20 5 EGBDRO CC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)[C@H](O)c1c(F)cccc1F ZINC000266274041 535920301 /nfs/dbraw/zinc/92/03/01/535920301.db2.gz CPIBKNIJZMBNCA-RDJZCZTQSA-N 1 0 336.338 3.475 20 5 EGBDRO C[NH+](C)C1CCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 ZINC000120656844 538124291 /nfs/dbraw/zinc/12/42/91/538124291.db2.gz KPKFYDVBSMYUCD-UHFFFAOYSA-N 1 0 333.432 3.059 20 5 EGBDRO CC[C@@H]1C[N@H+](Cc2c([N+](=O)[O-])ncn2C)CC[C@H]1c1ccccc1 ZINC000365852205 547779344 /nfs/dbraw/zinc/77/93/44/547779344.db2.gz JUARIZFDUKEQPR-GDBMZVCRSA-N 1 0 328.416 3.344 20 5 EGBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]Cc2cnc(C3CC3)nc2)cc1 ZINC000459435982 547942491 /nfs/dbraw/zinc/94/24/91/547942491.db2.gz XZFMLXAHGRDBJL-UHFFFAOYSA-N 1 0 326.400 3.375 20 5 EGBDRO O=[N+]([O-])c1ccc(NC(=S)N2CCC[C@@H]2C[NH+]2CCCCC2)cc1 ZINC000727701117 574685643 /nfs/dbraw/zinc/68/56/43/574685643.db2.gz PSEWNPJQMFYEJS-MRXNPFEDSA-N 1 0 348.472 3.242 20 5 EGBDRO C[C@@H]1CCC[C@H](C)[N@H+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C1 ZINC000742156025 576752761 /nfs/dbraw/zinc/75/27/61/576752761.db2.gz VPKICQNWBRXCMA-KGLIPLIRSA-N 1 0 329.404 3.321 20 5 EGBDRO Cc1ccc([C@H](CNc2ccc([N+](=O)[O-])c3nonc32)[NH+](C)C)cc1 ZINC000742564369 576789920 /nfs/dbraw/zinc/78/99/20/576789920.db2.gz DIWHVYYVLQAOBT-HNNXBMFYSA-N 1 0 341.371 3.154 20 5 EGBDRO CC(C)(CNC(=O)c1cc([N+](=O)[O-])ccc1Cl)[NH+]1CCCCC1 ZINC000070729177 1292258351 /nfs/dbraw/zinc/25/83/51/1292258351.db2.gz DYVBIZXEDAECOF-UHFFFAOYSA-N 1 0 339.823 3.243 20 5 EGBDRO C[C@H]1CCC[C@@H]([N@H+](C)Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000075666640 1292405320 /nfs/dbraw/zinc/40/53/20/1292405320.db2.gz GKYOOEWUWMKDEN-XJKSGUPXSA-N 1 0 329.404 3.321 20 5 EGBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000075985229 1292417410 /nfs/dbraw/zinc/41/74/10/1292417410.db2.gz BIQMSWWJONAGHI-NSHDSACASA-N 1 0 340.811 3.244 20 5 EGBDRO C[C@H]([NH2+]C[C@@H]1CN(C2CCCCC2)C(=O)O1)c1cccc([N+](=O)[O-])c1 ZINC000828147388 1292437133 /nfs/dbraw/zinc/43/71/33/1292437133.db2.gz ANRDZCDRHKXXRY-SUMWQHHRSA-N 1 0 347.415 3.399 20 5 EGBDRO CC(C)[N@@H+]1CC[C@H](CNc2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000087834266 1292747173 /nfs/dbraw/zinc/74/71/73/1292747173.db2.gz NRSOBHMDPYJSRL-LLVKDONJSA-N 1 0 342.237 3.500 20 5 EGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@]1(O)CCc2ccccc21 ZINC000090779758 1292806518 /nfs/dbraw/zinc/80/65/18/1292806518.db2.gz WPGTZEFOHLOAPG-YWZLYKJASA-N 1 0 340.423 3.340 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCCCCCCC1 ZINC000831932990 1292937841 /nfs/dbraw/zinc/93/78/41/1292937841.db2.gz PLLPFWHZZZLENK-UHFFFAOYSA-N 1 0 335.404 3.198 20 5 EGBDRO C[C@H](OC(=O)CCC(C)(C)[N+](=O)[O-])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000835287241 1293252843 /nfs/dbraw/zinc/25/28/43/1293252843.db2.gz PUDSDJUPCUUIMF-DOTOQJQBSA-N 1 0 348.443 3.276 20 5 EGBDRO O=C(OC[C@@H]1CCCCS1)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000835414125 1293285985 /nfs/dbraw/zinc/28/59/85/1293285985.db2.gz WIXHYTJTUCMSBT-ZDUSSCGKSA-N 1 0 347.396 3.223 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ncn(C[N@@H+]3CC[C@@H](c4ccccc4)C3)n2)cc1 ZINC000120241577 1293312752 /nfs/dbraw/zinc/31/27/52/1293312752.db2.gz HPGKRUXZPBOOGN-QGZVFWFLSA-N 1 0 349.394 3.300 20 5 EGBDRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000836201568 1293458706 /nfs/dbraw/zinc/45/87/06/1293458706.db2.gz FOABKBXYNYBIMS-GFCCVEGCSA-N 1 0 340.811 3.196 20 5 EGBDRO CCOC(=O)N[C@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)CC(C)C ZINC000125528096 1293509530 /nfs/dbraw/zinc/50/95/30/1293509530.db2.gz VHHUKLURHWQYFE-HIFRSBDPSA-N 1 0 337.420 3.406 20 5 EGBDRO CC(C)c1ccc(C[NH+]2CCC(C3OCCO3)CC2)cc1[N+](=O)[O-] ZINC000130090381 1293644386 /nfs/dbraw/zinc/64/43/86/1293644386.db2.gz DJQSOZJKHORJJO-UHFFFAOYSA-N 1 0 334.416 3.303 20 5 EGBDRO O=[N+]([O-])c1ccc(Br)cc1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000156194566 1294132077 /nfs/dbraw/zinc/13/20/77/1294132077.db2.gz AZYPDCWSUXAXJY-NWDGAFQWSA-N 1 0 340.221 3.396 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@](C)(O)c1ccc(F)cc1 ZINC000157821841 1294188956 /nfs/dbraw/zinc/18/89/56/1294188956.db2.gz GFQJIIWMCRPHKV-SFHVURJKSA-N 1 0 348.374 3.130 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@](C)(O)c1cc(C)oc1C ZINC000174440279 1294501344 /nfs/dbraw/zinc/50/13/44/1294501344.db2.gz SMGWMRMTDZJDKX-GOSISDBHSA-N 1 0 348.399 3.201 20 5 EGBDRO O=[N+]([O-])c1ccc(/C=C\c2nc(C3C[C@H]4CC[C@@H](C3)[NH2+]4)no2)cc1 ZINC000871792470 1296535136 /nfs/dbraw/zinc/53/51/36/1296535136.db2.gz CAZUXOQIRMPNCN-MQJYVVCCSA-N 1 0 326.356 3.146 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCOC[C@H]1CCCO1 ZINC000872036096 1296687308 /nfs/dbraw/zinc/68/73/08/1296687308.db2.gz RTRSZRTWTQJERM-TZMCWYRMSA-N 1 0 340.445 3.163 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCOC[C@@H]1CCCO1 ZINC000872036092 1296688037 /nfs/dbraw/zinc/68/80/37/1296688037.db2.gz RTRSZRTWTQJERM-JSGCOSHPSA-N 1 0 340.445 3.163 20 5 EGBDRO COC1(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2SC)CCOCC1 ZINC000872051686 1296702631 /nfs/dbraw/zinc/70/26/31/1296702631.db2.gz KFNVJFPAQBKFDR-LBPRGKRZSA-N 1 0 340.445 3.163 20 5 EGBDRO Cc1c(C[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000301962871 1296796165 /nfs/dbraw/zinc/79/61/65/1296796165.db2.gz QSCPUYCDWAQMNR-HNNXBMFYSA-N 1 0 349.431 3.392 20 5 EGBDRO Cc1c(C[NH2+]Cc2cccc(OCC[NH+](C)C)c2)cccc1[N+](=O)[O-] ZINC000873014689 1297223283 /nfs/dbraw/zinc/22/32/83/1297223283.db2.gz SLCPQAIZWSRSFG-UHFFFAOYSA-N 1 0 343.427 3.133 20 5 EGBDRO COC(=O)Cc1ccccc1C[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873132724 1297288767 /nfs/dbraw/zinc/28/87/67/1297288767.db2.gz DEPRFSMXGMFNAD-UHFFFAOYSA-N 1 0 342.395 3.217 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000874469475 1297904534 /nfs/dbraw/zinc/90/45/34/1297904534.db2.gz UENXUBLWDURFQN-UHFFFAOYSA-N 1 0 333.432 3.016 20 5 EGBDRO O=[N+]([O-])c1cc(Br)c(F)cc1O[C@@H]1CCC[NH2+]CC1 ZINC000691970274 1298139742 /nfs/dbraw/zinc/13/97/42/1298139742.db2.gz FBVVJAWMVKANAT-MRVPVSSYSA-N 1 0 333.157 3.017 20 5 EGBDRO C[C@H]([NH2+]C[C@@H]1CCN1C(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000724951113 1298351547 /nfs/dbraw/zinc/35/15/47/1298351547.db2.gz AESFQZBDNXURQX-WFASDCNBSA-N 1 0 335.404 3.255 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](CCC(N)=O)Cc1ccccc1 ZINC000876552894 1298822158 /nfs/dbraw/zinc/82/21/58/1298822158.db2.gz HMKDGNYDRJKLAJ-UHFFFAOYSA-N 1 0 341.411 3.089 20 5 EGBDRO Cc1cccc(F)c1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000877068902 1299143884 /nfs/dbraw/zinc/14/38/84/1299143884.db2.gz UXNIDKYNBQTHHH-UHFFFAOYSA-N 1 0 344.390 3.196 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[NH2+]CC2([C@@H](O)c3ccccc3)CC2)cc1 ZINC000877112999 1299161376 /nfs/dbraw/zinc/16/13/76/1299161376.db2.gz XITVOVCQBKJZQV-SFHVURJKSA-N 1 0 326.396 3.241 20 5 EGBDRO CC(C)[N@H+](C)CC1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000749317018 1299191741 /nfs/dbraw/zinc/19/17/41/1299191741.db2.gz NSPBHQGYWHISNH-UHFFFAOYSA-N 1 0 327.375 3.430 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CCC(OC[C@H]2CCOC2)CC1 ZINC000877303111 1299239859 /nfs/dbraw/zinc/23/98/59/1299239859.db2.gz PDPGIKPKRNUIMQ-INIZCTEOSA-N 1 0 348.443 3.229 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC[C@@H]2Cc2ccc(F)cc2)c1 ZINC000749691787 1299256903 /nfs/dbraw/zinc/25/69/03/1299256903.db2.gz RYWQALJUVAMFFX-MJGOQNOKSA-N 1 0 344.386 3.474 20 5 EGBDRO O=C(Nc1ccn(-c2cc[nH+]cc2)n1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000749997336 1299321085 /nfs/dbraw/zinc/32/10/85/1299321085.db2.gz PYSBXRXEMGCDMI-UHFFFAOYSA-N 1 0 343.730 3.081 20 5 EGBDRO C[C@]1([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCCc2ccccc21 ZINC000750096414 1299336793 /nfs/dbraw/zinc/33/67/93/1299336793.db2.gz NXWKZJRRIXKJCA-MOPGFXCFSA-N 1 0 326.396 3.470 20 5 EGBDRO C[C@@H]1CCC[C@H](C)C[N@H+]1CN1CCN(c2ccccc2[N+](=O)[O-])C1=O ZINC000752791422 1299795690 /nfs/dbraw/zinc/79/56/90/1299795690.db2.gz FKSOSNRVIUGQSR-LSDHHAIUSA-N 1 0 346.431 3.305 20 5 EGBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2ccnc(F)c2[N+](=O)[O-])C1 ZINC000881837045 1301737191 /nfs/dbraw/zinc/73/71/91/1301737191.db2.gz NGXPIPWTYWBPOQ-JSGCOSHPSA-N 1 0 330.363 3.376 20 5 EGBDRO CCCN(CC[NH+](CC)CC)C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000763766757 1301959174 /nfs/dbraw/zinc/95/91/74/1301959174.db2.gz CTJSCHAUBNZYER-UHFFFAOYSA-N 1 0 341.839 3.442 20 5 EGBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000765387614 1302259675 /nfs/dbraw/zinc/25/96/75/1302259675.db2.gz XDFZCLMMOHOQRP-DOTOQJQBSA-N 1 0 347.459 3.154 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@H]2COc3c2cccc3Cl)cc1 ZINC000765850263 1302338292 /nfs/dbraw/zinc/33/82/92/1302338292.db2.gz WPZVRHLZYFOQFW-GJZGRUSLSA-N 1 0 334.759 3.005 20 5 EGBDRO COc1cccc([C@@H](O)C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000765910343 1302347810 /nfs/dbraw/zinc/34/78/10/1302347810.db2.gz NFWZCPHHWKKJJW-UGSOOPFHSA-N 1 0 330.384 3.296 20 5 EGBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C[C@H]1C ZINC000766305482 1302427414 /nfs/dbraw/zinc/42/74/14/1302427414.db2.gz AUTGMTSTPIVVBL-GHMZBOCLSA-N 1 0 340.811 3.195 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC000767715276 1302750943 /nfs/dbraw/zinc/75/09/43/1302750943.db2.gz XNJVKOWQTNGDCI-GWCFYCIZSA-N 1 0 330.359 3.460 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)c1C ZINC000884395336 1302839060 /nfs/dbraw/zinc/83/90/60/1302839060.db2.gz ZKMBYFNUYHWDIE-INIZCTEOSA-N 1 0 345.443 3.063 20 5 EGBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2c2nc3ccc([N+](=O)[O-])cc3s2)C1 ZINC000768538812 1302928697 /nfs/dbraw/zinc/92/86/97/1302928697.db2.gz GMTBNZCSZGFHPF-FZMZJTMJSA-N 1 0 332.429 3.125 20 5 EGBDRO CCC[NH+](CCC)CCCNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000768706006 1302964391 /nfs/dbraw/zinc/96/43/91/1302964391.db2.gz FMKBZLVJPNGIAU-UHFFFAOYSA-N 1 0 341.839 3.490 20 5 EGBDRO C[C@H]1CN(c2cc[nH+]cc2)CCN1c1nccc2cc([N+](=O)[O-])ccc21 ZINC000884853786 1303000521 /nfs/dbraw/zinc/00/05/21/1303000521.db2.gz WMOWVALROCUPII-AWEZNQCLSA-N 1 0 349.394 3.253 20 5 EGBDRO CC[N@H+](Cc1cccnc1[N+](=O)[O-])[C@@H](C)Cc1ccc(OC)cc1 ZINC000886003556 1303314912 /nfs/dbraw/zinc/31/49/12/1303314912.db2.gz GDKMLFJZCKHWKZ-AWEZNQCLSA-N 1 0 329.400 3.452 20 5 EGBDRO O=[N+]([O-])c1ncccc1C[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000886064800 1303344528 /nfs/dbraw/zinc/34/45/28/1303344528.db2.gz IYXUAAMMCRUYDW-UHFFFAOYSA-N 1 0 337.383 3.246 20 5 EGBDRO COc1cccc(CC2CC[NH+](Cc3cccnc3[N+](=O)[O-])CC2)c1 ZINC000886122866 1303363274 /nfs/dbraw/zinc/36/32/74/1303363274.db2.gz MDKRLQLUSWTLOJ-UHFFFAOYSA-N 1 0 341.411 3.453 20 5 EGBDRO O=C(Oc1cc(F)cc([N+](=O)[O-])c1)c1cccc(Cn2ccnc2)c1 ZINC000771489875 1303411610 /nfs/dbraw/zinc/41/16/10/1303411610.db2.gz URPLIPJUNJMBOI-UHFFFAOYSA-N 1 0 341.298 3.198 20 5 EGBDRO CCOC(=O)[C@@]1(C(C)C)CC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000773918948 1303753734 /nfs/dbraw/zinc/75/37/34/1303753734.db2.gz DADABPOOGJSLRM-KRWDZBQOSA-N 1 0 338.379 3.145 20 5 EGBDRO COc1ccc([C@@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000774408855 1303806560 /nfs/dbraw/zinc/80/65/60/1303806560.db2.gz JLTISEKOMFICNI-OALUTQOASA-N 1 0 342.395 3.378 20 5 EGBDRO COC(=O)Cc1ccccc1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000775196468 1303923894 /nfs/dbraw/zinc/92/38/94/1303923894.db2.gz ZXLVPNMXBSDVTG-CYBMUJFWSA-N 1 0 328.368 3.161 20 5 EGBDRO CO[C@@H]1[C@@H](C)[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1(C)C ZINC000776168652 1304105699 /nfs/dbraw/zinc/10/56/99/1304105699.db2.gz JOHAUNHFTHVTAP-DOPJRALCSA-N 1 0 347.459 3.213 20 5 EGBDRO COc1ccc(C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000776574031 1304173330 /nfs/dbraw/zinc/17/33/30/1304173330.db2.gz AMYVVBJUKBCGSH-IBGZPJMESA-N 1 0 342.395 3.301 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CC[C@H](c3cccc(F)c3)C2)cc1 ZINC000776581642 1304174506 /nfs/dbraw/zinc/17/45/06/1304174506.db2.gz FQKXCCNMNQDTSR-YJBOKZPZSA-N 1 0 330.359 3.257 20 5 EGBDRO O=[N+]([O-])c1ccnn1C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2CCCC[C@@H]21 ZINC000776773824 1304197442 /nfs/dbraw/zinc/19/74/42/1304197442.db2.gz BKVDHMCENSTOSG-BBWFWOEESA-N 1 0 326.400 3.407 20 5 EGBDRO CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000776822383 1304206266 /nfs/dbraw/zinc/20/62/66/1304206266.db2.gz JQEZIDWFEWJRQP-HOCLYGCPSA-N 1 0 349.431 3.250 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)c1C ZINC000889018520 1304361238 /nfs/dbraw/zinc/36/12/38/1304361238.db2.gz CVYXJPCABCASHE-OAHLLOKOSA-N 1 0 335.448 3.308 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)c(F)c1 ZINC000778105807 1304396892 /nfs/dbraw/zinc/39/68/92/1304396892.db2.gz HZZXWZLMLDSEAV-HZSPNIEDSA-N 1 0 328.434 3.203 20 5 EGBDRO CC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)C1(C(=O)OC)CCC1 ZINC000779410919 1304568046 /nfs/dbraw/zinc/56/80/46/1304568046.db2.gz BUCOSPUIAMMEKS-AWEZNQCLSA-N 1 0 340.807 3.460 20 5 EGBDRO C[C@@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1(C)C ZINC000782543468 1304987225 /nfs/dbraw/zinc/98/72/25/1304987225.db2.gz DGHGPDFSRSIVRI-GFCCVEGCSA-N 1 0 337.395 3.431 20 5 EGBDRO CC(C)(C)[C@@H]1CC[N@H+](CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)C1 ZINC000784030799 1305179403 /nfs/dbraw/zinc/17/94/03/1305179403.db2.gz IIMFYADOIXOSJO-CQSZACIVSA-N 1 0 346.431 3.162 20 5 EGBDRO COc1c(O)ccc(C[NH2+]CCc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000892424057 1305365903 /nfs/dbraw/zinc/36/59/03/1305365903.db2.gz YFSWBMDOHQMFGY-UHFFFAOYSA-N 1 0 336.775 3.295 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](O)c2cc(F)cc(Cl)c2)c(F)c1 ZINC000785615704 1305394212 /nfs/dbraw/zinc/39/42/12/1305394212.db2.gz OMVNQOFQEWDHLW-HNNXBMFYSA-N 1 0 342.729 3.350 20 5 EGBDRO CN(CCC[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])CC(F)(F)F ZINC000892579528 1305450313 /nfs/dbraw/zinc/45/03/13/1305450313.db2.gz QLBAQBJJRDIQTC-UHFFFAOYSA-N 1 0 339.745 3.222 20 5 EGBDRO COc1cccc([C@H](C)[NH2+]Cc2ccc(O)c(OC)c2[N+](=O)[O-])c1 ZINC000892634522 1305481606 /nfs/dbraw/zinc/48/16/06/1305481606.db2.gz XLHSWFUNRMQDNG-NSHDSACASA-N 1 0 332.356 3.168 20 5 EGBDRO Cc1c(C[NH2+][C@@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC000790695286 1308854189 /nfs/dbraw/zinc/85/41/89/1308854189.db2.gz MJKWQSXBIBJILJ-CABCVRRESA-N 1 0 349.431 3.439 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]CCO[C@H]3CCCCO3)o2)c1 ZINC000894801096 1309078370 /nfs/dbraw/zinc/07/83/70/1309078370.db2.gz VWKMQKGFEOCWFA-SFHVURJKSA-N 1 0 346.383 3.488 20 5 EGBDRO CCC[C@H](C)[C@@H]1CCC[N@@H+]1Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000794631870 1309559772 /nfs/dbraw/zinc/55/97/72/1309559772.db2.gz DZDJMHHRSNXWMC-STQMWFEESA-N 1 0 333.388 3.361 20 5 EGBDRO Cc1[nH+]cc2n1C[C@@H](c1nc(-c3cc(C)cc([N+](=O)[O-])c3)no1)CC2 ZINC000896389355 1309835998 /nfs/dbraw/zinc/83/59/98/1309835998.db2.gz YTLLRAOVEKANMK-LBPRGKRZSA-N 1 0 339.355 3.188 20 5 EGBDRO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1OC)C[C@@H](O)c1ccc(C)cc1 ZINC000797518735 1310207691 /nfs/dbraw/zinc/20/76/91/1310207691.db2.gz GHFMOLHVYSOLLB-GOSISDBHSA-N 1 0 344.411 3.467 20 5 EGBDRO CC(C)(C)OC(=O)NC1(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000897420606 1310330044 /nfs/dbraw/zinc/33/00/44/1310330044.db2.gz DMQYRKGXSMCGBC-AWEZNQCLSA-N 1 0 347.415 3.229 20 5 EGBDRO CSc1cccc(C(=O)OCCC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000800204257 1310700637 /nfs/dbraw/zinc/70/06/37/1310700637.db2.gz DZUJJJDKGGBVLY-UHFFFAOYSA-N 1 0 338.429 3.350 20 5 EGBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2cc(N)ccc2[N+](=O)[O-])C1 ZINC000800847592 1310818258 /nfs/dbraw/zinc/81/82/58/1310818258.db2.gz JHZZDVUMBAKDHR-BBRMVZONSA-N 1 0 326.400 3.424 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)c1C ZINC000898782136 1310843412 /nfs/dbraw/zinc/84/34/12/1310843412.db2.gz ILDPLLFUBORORI-OAHLLOKOSA-N 1 0 345.443 3.348 20 5 EGBDRO CCOC(=O)C[C@@](C)([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)C(C)C ZINC000801544653 1310963590 /nfs/dbraw/zinc/96/35/90/1310963590.db2.gz QMKDDGKRGYCZCF-MRXNPFEDSA-N 1 0 326.368 3.191 20 5 EGBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])CCc1cccc([N+](=O)[O-])c1 ZINC000801600187 1310972716 /nfs/dbraw/zinc/97/27/16/1310972716.db2.gz MCSJQRVGIDJNCE-UHFFFAOYSA-N 1 0 345.355 3.056 20 5 EGBDRO CC[N@H+](C)C[C@@H]1CCN(c2cccc(Br)c2[N+](=O)[O-])C1 ZINC000820670428 1319931334 /nfs/dbraw/zinc/93/13/34/1319931334.db2.gz PELWDKYZBXPJIS-NSHDSACASA-N 1 0 342.237 3.135 20 5 EGBDRO Cc1cc(Cl)c(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000826069177 1320381811 /nfs/dbraw/zinc/38/18/11/1320381811.db2.gz SWEPZRCNXUCFJY-NSHDSACASA-N 1 0 341.839 3.263 20 5 EGBDRO C[N@H+](CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C(C1CC1)C1CC1 ZINC000839476373 1320927223 /nfs/dbraw/zinc/92/72/23/1320927223.db2.gz NNRUQQVBLJBSJK-UHFFFAOYSA-N 1 0 337.807 3.307 20 5 EGBDRO [NH3+]CC1(c2ccccc2)CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000900410748 1317285086 /nfs/dbraw/zinc/28/50/86/1317285086.db2.gz HPTMYHOSAHHYDG-UHFFFAOYSA-N 1 0 346.818 3.140 20 5 EGBDRO Cc1sccc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001020130622 1317554243 /nfs/dbraw/zinc/55/42/43/1317554243.db2.gz ATRRBCVILSPEDD-HDJSIYSDSA-N 1 0 345.424 3.015 20 5 EGBDRO CCO[C@@H]1COCC[C@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809980177 1317929594 /nfs/dbraw/zinc/92/95/94/1317929594.db2.gz IJSHKTBYQUTZOF-CHWSQXEVSA-N 1 0 349.214 3.185 20 5 EGBDRO CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@H]2[NH2+]CC[N+](=O)[O-] ZINC000905231120 1317939197 /nfs/dbraw/zinc/93/91/97/1317939197.db2.gz OZDYFZNCKFKHSL-OAHLLOKOSA-N 1 0 335.404 3.277 20 5 EGBDRO C[C@H]1C[C@@H](NCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC[N@@H+]1C ZINC000811482573 1318183347 /nfs/dbraw/zinc/18/33/47/1318183347.db2.gz METXJCCZVQIULO-CABZTGNLSA-N 1 0 332.231 3.474 20 5 EGBDRO C[C@H]1C[C@H](NCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC[N@@H+]1C ZINC000811482574 1318183403 /nfs/dbraw/zinc/18/34/03/1318183403.db2.gz METXJCCZVQIULO-JOYOIKCWSA-N 1 0 332.231 3.474 20 5 EGBDRO Cc1cc(NC2CC[NH+](C[C@H]3CCCO3)CC2)c(F)cc1[N+](=O)[O-] ZINC000812454036 1318395602 /nfs/dbraw/zinc/39/56/02/1318395602.db2.gz BKLLQBPGGJEPRB-CQSZACIVSA-N 1 0 337.395 3.098 20 5 EGBDRO CC(C)[C@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])[C@H](O)C(F)(F)F ZINC000813328769 1318534618 /nfs/dbraw/zinc/53/46/18/1318534618.db2.gz URZUWASIHGVACS-XVMAMZMSSA-N 1 0 332.322 3.145 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCO[C@H]2CCCCO2)o1 ZINC000813334056 1318536775 /nfs/dbraw/zinc/53/67/75/1318536775.db2.gz VQWGAFVXJMECBI-SFHVURJKSA-N 1 0 346.383 3.488 20 5 EGBDRO CC[NH+](CC)C[C@H](C)NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000813452369 1318567278 /nfs/dbraw/zinc/56/72/78/1318567278.db2.gz YOGIBSGYWZONLY-VIFPVBQESA-N 1 0 348.230 3.362 20 5 EGBDRO CC(=O)N(C)c1ccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000858493959 1328779087 /nfs/dbraw/zinc/77/90/87/1328779087.db2.gz BERQQTIEJIPPJW-ZDUSSCGKSA-N 1 0 327.384 3.428 20 5 EGBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)C(F)=C1CCCC1 ZINC001021964077 1318754453 /nfs/dbraw/zinc/75/44/53/1318754453.db2.gz SCLWEVVGSMHTGJ-GASCZTMLSA-N 1 0 347.390 3.129 20 5 EGBDRO CCN(C)c1ccccc1C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815577329 1319019675 /nfs/dbraw/zinc/01/96/75/1319019675.db2.gz NHSBRSIRXDDSDH-CYBMUJFWSA-N 1 0 328.416 3.484 20 5 EGBDRO C[C@@H]([NH2+]CCCCC(=O)OC(C)(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815600372 1319026228 /nfs/dbraw/zinc/02/62/28/1319026228.db2.gz RQMXANQMGXHVSQ-GFCCVEGCSA-N 1 0 337.420 3.340 20 5 EGBDRO C[C@H]([NH2+]CCCNc1cccc(F)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815615112 1319029274 /nfs/dbraw/zinc/02/92/74/1319029274.db2.gz IRGOANQNKVWZQF-LBPRGKRZSA-N 1 0 332.379 3.469 20 5 EGBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)C1(F)CCCCC1 ZINC001022930607 1319174715 /nfs/dbraw/zinc/17/47/15/1319174715.db2.gz GBFSTLBPHCTHGH-GASCZTMLSA-N 1 0 349.406 3.004 20 5 EGBDRO Cc1csc(CCCC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000819006657 1319612078 /nfs/dbraw/zinc/61/20/78/1319612078.db2.gz GUTXGVATOKHGFA-OAHLLOKOSA-N 1 0 335.429 3.006 20 5 EGBDRO CC(C)(C)[C@@H]1OCCC[C@@H]1C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819082279 1319631219 /nfs/dbraw/zinc/63/12/19/1319631219.db2.gz WMXRZJUAUPDARI-DJIMGWMZSA-N 1 0 336.432 3.059 20 5 EGBDRO Cc1cccc2c(CC[NH2+]C[C@@H](O)c3ccc([N+](=O)[O-])cc3)c[nH]c21 ZINC000819101037 1319634031 /nfs/dbraw/zinc/63/40/31/1319634031.db2.gz YUFKHIMBYZYVFV-GOSISDBHSA-N 1 0 339.395 3.250 20 5 EGBDRO CCO[C@H](CC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000819128666 1319643441 /nfs/dbraw/zinc/64/34/41/1319643441.db2.gz PQSLQKSGCMTQTR-QZTJIDSGSA-N 1 0 336.432 3.203 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CC2(Cc3ccccc3)CC2)cc1 ZINC000819180452 1319658610 /nfs/dbraw/zinc/65/86/10/1319658610.db2.gz ULZSUAWTBSGXBK-GOSISDBHSA-N 1 0 326.396 3.241 20 5 EGBDRO Cc1ccc([C@@H](O)C[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000819213816 1319671295 /nfs/dbraw/zinc/67/12/95/1319671295.db2.gz VKEDFAZYXMGEPY-KRWDZBQOSA-N 1 0 334.803 3.422 20 5 EGBDRO CC(C)n1cc2c(n1)[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)CCC2 ZINC000819218369 1319672811 /nfs/dbraw/zinc/67/28/11/1319672811.db2.gz OCBSUEZQWYHTTH-IRXDYDNUSA-N 1 0 344.415 3.073 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)CNC[C@H]2CCC[N@@H+]2C2CCCCC2)cc1 ZINC000819285920 1319689062 /nfs/dbraw/zinc/68/90/62/1319689062.db2.gz JMWDGSZFZMWQMI-RTBURBONSA-N 1 0 347.459 3.015 20 5 EGBDRO CSCc1ccc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000819308090 1319693919 /nfs/dbraw/zinc/69/39/19/1319693919.db2.gz DTONEDAXFXQJHO-QGZVFWFLSA-N 1 0 332.425 3.281 20 5 EGBDRO Nc1ccc(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)cc1[N+](=O)[O-] ZINC000819893518 1319795838 /nfs/dbraw/zinc/79/58/38/1319795838.db2.gz UJEWYLWRVJQXKW-UHFFFAOYSA-N 1 0 340.383 3.025 20 5 EGBDRO CC(C)(C)CC[NH+]1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000917877805 1319884896 /nfs/dbraw/zinc/88/48/96/1319884896.db2.gz VFGNUNRRACEIEM-TWGQIWQCSA-N 1 0 345.443 3.188 20 5 EGBDRO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000821455129 1320014403 /nfs/dbraw/zinc/01/44/03/1320014403.db2.gz NPBZMDWULBXUFL-WMZOPIPTSA-N 1 0 345.443 3.174 20 5 EGBDRO CC(C)(CCc1noc(C(C)(C)[C@H]([NH3+])c2ccccc2)n1)[N+](=O)[O-] ZINC000823235920 1320164268 /nfs/dbraw/zinc/16/42/68/1320164268.db2.gz VWSSTYBWRCNSHH-CQSZACIVSA-N 1 0 332.404 3.035 20 5 EGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@]3(CCSC3)C2)c([N+](=O)[O-])c1 ZINC000825215874 1320319041 /nfs/dbraw/zinc/31/90/41/1320319041.db2.gz ZZFKPHNPEIEVSF-HNNXBMFYSA-N 1 0 337.401 3.222 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C(=O)NCC[NH+](C(C)C)C(C)C)cc1Cl ZINC000836250340 1320465143 /nfs/dbraw/zinc/46/51/43/1320465143.db2.gz VIWLRINZCNRHLS-UHFFFAOYSA-N 1 0 341.839 3.405 20 5 EGBDRO CC[C@H](C)[NH+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000836365986 1320478316 /nfs/dbraw/zinc/47/83/16/1320478316.db2.gz JRJIXDNMLMYDHG-NSHDSACASA-N 1 0 340.811 3.196 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]([NH+](C)C)CC2)cc1Cl ZINC000836786260 1320534482 /nfs/dbraw/zinc/53/44/82/1320534482.db2.gz QVKCPKGVICDICI-GFCCVEGCSA-N 1 0 339.823 3.113 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H]([NH+](C)C)CC2)cc1Cl ZINC000836786261 1320534651 /nfs/dbraw/zinc/53/46/51/1320534651.db2.gz QVKCPKGVICDICI-LBPRGKRZSA-N 1 0 339.823 3.113 20 5 EGBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1cc(Cl)c(C)cc1[N+](=O)[O-] ZINC000836789384 1320535213 /nfs/dbraw/zinc/53/52/13/1320535213.db2.gz KUCPTPHJFKIUKJ-LBPRGKRZSA-N 1 0 341.839 3.407 20 5 EGBDRO C[C@H]([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000839195713 1320892296 /nfs/dbraw/zinc/89/22/96/1320892296.db2.gz FSEIDISYMYZIMB-QPPBUOOMSA-N 1 0 337.807 3.353 20 5 EGBDRO O=[N+]([O-])c1cn(C[NH+]2CCCCCCCC2)nc1-c1ccncc1 ZINC000840135129 1321036358 /nfs/dbraw/zinc/03/63/58/1321036358.db2.gz YZDUUJPMDSFYLL-UHFFFAOYSA-N 1 0 329.404 3.467 20 5 EGBDRO Cc1nn(C[N@@H+]2CCC[C@]3(CCSC3)C2)c2cc([N+](=O)[O-])ccc12 ZINC000840142460 1321037254 /nfs/dbraw/zinc/03/72/54/1321037254.db2.gz GHHDZKISNHOSCN-KRWDZBQOSA-N 1 0 346.456 3.430 20 5 EGBDRO CC(C)(C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)OCC1CC1 ZINC000840874297 1321166465 /nfs/dbraw/zinc/16/64/65/1321166465.db2.gz YSNXTHSZUMUYLO-UHFFFAOYSA-N 1 0 347.459 3.358 20 5 EGBDRO O=[N+]([O-])c1ccc(Cl)c(CNC[C@@H]2[NH2+]CCc3ccccc32)c1 ZINC000841069169 1321213151 /nfs/dbraw/zinc/21/31/51/1321213151.db2.gz PFZBOZYRAFPKTP-KRWDZBQOSA-N 1 0 331.803 3.225 20 5 EGBDRO CN(Cc1ccc(C[NH+](C)C)cc1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000859214860 1328948473 /nfs/dbraw/zinc/94/84/73/1328948473.db2.gz PMBKQTRVSIULOR-UHFFFAOYSA-N 1 0 331.391 3.428 20 5 EGBDRO CC[NH+](CC)Cc1ccc(C(=O)Oc2cc([N+](=O)[O-])ccc2OC)o1 ZINC000842585684 1321404191 /nfs/dbraw/zinc/40/41/91/1321404191.db2.gz DIMHEGPRXPQPFX-UHFFFAOYSA-N 1 0 348.355 3.257 20 5 EGBDRO Cc1nn(C[N@H+]2CC3(C[C@@H]2C)CCOCC3)c2ccc([N+](=O)[O-])cc12 ZINC000842638554 1321411209 /nfs/dbraw/zinc/41/12/09/1321411209.db2.gz LTKFWCGFMSQENW-ZDUSSCGKSA-N 1 0 344.415 3.101 20 5 EGBDRO Cc1ccc(C[N@@H+](C)C[C@]2(O)CCc3ccccc32)cc1[N+](=O)[O-] ZINC000843421620 1321516784 /nfs/dbraw/zinc/51/67/84/1321516784.db2.gz RUDMXVFKWOVWBM-LJQANCHMSA-N 1 0 326.396 3.169 20 5 EGBDRO CC(C)OCCC[N@H+](C)Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000848480930 1321962246 /nfs/dbraw/zinc/96/22/46/1321962246.db2.gz VKBWDRFNSSUAMH-UHFFFAOYSA-N 1 0 332.404 3.163 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1cnn(C[N@@H+]2CCC[C@H]2[C@H]2CCCO2)c1 ZINC000848487848 1321964862 /nfs/dbraw/zinc/96/48/62/1321964862.db2.gz YZSLNGYKLRLXLX-ZWKOTPCHSA-N 1 0 342.399 3.059 20 5 EGBDRO CC(C)[C@@H]1C[N@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)CCCO1 ZINC000848488457 1321965294 /nfs/dbraw/zinc/96/52/94/1321965294.db2.gz FVEXDTHIPFDOJM-SFHVURJKSA-N 1 0 344.415 3.163 20 5 EGBDRO CN(CCC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000848524641 1321968476 /nfs/dbraw/zinc/96/84/76/1321968476.db2.gz JZQLOJZUVIISLU-HNNXBMFYSA-N 1 0 349.431 3.429 20 5 EGBDRO C[C@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])[C@H](O)c1cccc(F)c1 ZINC000848533634 1321971328 /nfs/dbraw/zinc/97/13/28/1321971328.db2.gz MAETUTZFRNQENK-LSKLOWJMSA-N 1 0 330.359 3.433 20 5 EGBDRO COc1cccc(NC(=[NH2+])NCCc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000849077233 1322068134 /nfs/dbraw/zinc/06/81/34/1322068134.db2.gz XKTOZTRVWBUPQI-UHFFFAOYSA-N 1 0 348.790 3.436 20 5 EGBDRO [NH2+]=C(NCCc1ccccc1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000849086573 1322072996 /nfs/dbraw/zinc/07/29/96/1322072996.db2.gz AQQAEELYQKZJBF-UHFFFAOYSA-N 1 0 332.791 3.105 20 5 EGBDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000920471845 1322181630 /nfs/dbraw/zinc/18/16/30/1322181630.db2.gz LUZWFGYRYDRMEM-HMWXGYMHSA-N 1 0 345.443 3.379 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CC3OCCCO3)s2)cc1 ZINC000922276853 1322491522 /nfs/dbraw/zinc/49/15/22/1322491522.db2.gz JUSULVKBHDVTOW-UHFFFAOYSA-N 1 0 334.397 3.176 20 5 EGBDRO COc1c(C)[nH]cc(C[N@H+](C)[C@H](C)c2cc([N+](=O)[O-])ccc2C)c1=O ZINC000931325025 1329093871 /nfs/dbraw/zinc/09/38/71/1329093871.db2.gz OQVMJVZMZYNAJO-CYBMUJFWSA-N 1 0 345.399 3.102 20 5 EGBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000925235412 1325089909 /nfs/dbraw/zinc/08/99/09/1325089909.db2.gz VHIWJEPXQVHSHZ-CABCVRRESA-N 1 0 348.447 3.029 20 5 EGBDRO CC(C)C[C@H]1CCC[N@@H+]1Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853493121 1325103464 /nfs/dbraw/zinc/10/34/64/1325103464.db2.gz JVUJINGDCOBBLY-CQSZACIVSA-N 1 0 329.404 3.321 20 5 EGBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000854650120 1325290069 /nfs/dbraw/zinc/29/00/69/1325290069.db2.gz NFWHJNLDWAEEQL-PRHODGIISA-N 1 0 346.214 3.066 20 5 EGBDRO O=[N+]([O-])c1c(Br)cccc1N1CC[C@H]([NH+]2CCCC2)C1 ZINC000856728657 1325514838 /nfs/dbraw/zinc/51/48/38/1325514838.db2.gz XZAKKEWWGUNCKO-NSHDSACASA-N 1 0 340.221 3.032 20 5 EGBDRO C[C@H]([NH2+]Cc1ccc2c(c1)C[C@@H](C)O2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000926918675 1327776597 /nfs/dbraw/zinc/77/65/97/1327776597.db2.gz JBXJLUDXSNVLNH-NEPJUHHUSA-N 1 0 327.384 3.351 20 5 EGBDRO C[C@H](C[N@H+](C)C/C=C\c1ccccc1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000862541582 1329494922 /nfs/dbraw/zinc/49/49/22/1329494922.db2.gz WYKLMUZWVCIGHS-QQBNSCQMSA-N 1 0 349.431 3.453 20 5 EGBDRO Cc1cc(Cl)c(C(=O)NC[C@H]2CCCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000862793825 1329509713 /nfs/dbraw/zinc/50/97/13/1329509713.db2.gz CFEGYFSWZAOARC-GFCCVEGCSA-N 1 0 339.823 3.018 20 5 EGBDRO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000932181355 1329791584 /nfs/dbraw/zinc/79/15/84/1329791584.db2.gz PFUCMNOFOOCMBB-KGLIPLIRSA-N 1 0 327.384 3.297 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H]1[C@@H](C)c1ccccc1 ZINC000932275564 1329802725 /nfs/dbraw/zinc/80/27/25/1329802725.db2.gz PMPIUVXNKOLJEY-WMLDXEAASA-N 1 0 328.416 3.368 20 5 EGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](Cc2ccccc2)[C@H](O)C1 ZINC000934436966 1329978654 /nfs/dbraw/zinc/97/86/54/1329978654.db2.gz FMKNXFXYHGMHON-ZSZQSSIHSA-N 1 0 326.396 3.191 20 5 EGBDRO O=[N+]([O-])c1cnc(NCCC2CC[NH+](Cc3ccccc3)CC2)nc1 ZINC000866086800 1330064156 /nfs/dbraw/zinc/06/41/56/1330064156.db2.gz CAXSJGBTSXYLKF-UHFFFAOYSA-N 1 0 341.415 3.099 20 5 EGBDRO CC(C)(C)[NH2+]CCC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000935693519 1330072095 /nfs/dbraw/zinc/07/20/95/1330072095.db2.gz HWEPOBKSIZZYNV-UHFFFAOYSA-N 1 0 347.337 3.008 20 5 EGBDRO Cc1nccn1C[C@H](C)C[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866259074 1330086795 /nfs/dbraw/zinc/08/67/95/1330086795.db2.gz GMVJZWNTUJTLNC-CHWSQXEVSA-N 1 0 334.395 3.096 20 5 EGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@](C)(O)c1ccsc1 ZINC000866271891 1330088414 /nfs/dbraw/zinc/08/84/14/1330088414.db2.gz QKNWFICZDFARKP-MEDUHNTESA-N 1 0 338.404 3.224 20 5 EGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000866273339 1330088883 /nfs/dbraw/zinc/08/88/83/1330088883.db2.gz KDNUZQIQOWEWCR-PREXVCJDSA-N 1 0 336.407 3.458 20 5 EGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H](CO)c1ccccc1 ZINC000866281501 1330090076 /nfs/dbraw/zinc/09/00/76/1330090076.db2.gz IVYNIQFSFQBNLS-BBRMVZONSA-N 1 0 332.375 3.031 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H](C)CC1(C)OCCO1 ZINC000866427022 1330110678 /nfs/dbraw/zinc/11/06/78/1330110678.db2.gz GWOPISHZQNTVCN-OLZOCXBDSA-N 1 0 338.404 3.043 20 5 EGBDRO C[C@H](c1ccccc1)[C@H](C)NC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867945500 1330231160 /nfs/dbraw/zinc/23/11/60/1330231160.db2.gz WLVWCVQGLZYECG-CKFHNAJUSA-N 1 0 341.411 3.077 20 5 EGBDRO CC1(C)CC(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC001086077276 1358989259 /nfs/dbraw/zinc/98/92/59/1358989259.db2.gz QQDCBPCZYJOGFT-FZNQNYSPSA-N 1 0 345.443 3.015 20 5 EGBDRO CN(C)c1ncccc1C[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC001323940349 1387498849 /nfs/dbraw/zinc/49/88/49/1387498849.db2.gz JOCMTWLDDMAXDD-UHFFFAOYSA-N 1 0 328.416 3.168 20 5 EGBDRO C=C/C(C)=C\CC(=O)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001202053533 1369677001 /nfs/dbraw/zinc/67/70/01/1369677001.db2.gz DWKQYYFDFYMCDM-TVPGTPATSA-N 1 0 343.427 3.198 20 5 EGBDRO CC(C)(C)[NH+]1CCN(c2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC001116289724 1370879678 /nfs/dbraw/zinc/87/96/78/1370879678.db2.gz ZYRPOXBGHGRRLN-UHFFFAOYSA-N 1 0 342.237 3.278 20 5 EGBDRO Cc1c(C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)ccc2c[nH+]cn21 ZINC001116547554 1370933891 /nfs/dbraw/zinc/93/38/91/1370933891.db2.gz KLVQKYADQTUJOX-UHFFFAOYSA-N 1 0 338.367 3.216 20 5 EGBDRO CC(C)c1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH+](C)C)cc1[N+](=O)[O-] ZINC001116708576 1370960239 /nfs/dbraw/zinc/96/02/39/1370960239.db2.gz CRRYCPCJIUISNJ-HZPDHXFCSA-N 1 0 333.432 3.321 20 5 EGBDRO COC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001116771351 1370970742 /nfs/dbraw/zinc/97/07/42/1370970742.db2.gz PXFNCCWAVVKTPJ-HZPDHXFCSA-N 1 0 344.367 3.286 20 5 EGBDRO CC[NH+](CC)Cc1ccc(CNc2c(C)cncc2[N+](=O)[O-])cc1 ZINC001117279589 1371033200 /nfs/dbraw/zinc/03/32/00/1371033200.db2.gz GUAWASCUZMDPGJ-UHFFFAOYSA-N 1 0 328.416 3.174 20 5 EGBDRO C[C@@H](c1nnc(CC[NH+]2CCC(C)CC2)o1)c1cccc([N+](=O)[O-])c1 ZINC001118371514 1371167945 /nfs/dbraw/zinc/16/79/45/1371167945.db2.gz SDIZLZOHGSTWBX-CQSZACIVSA-N 1 0 344.415 3.404 20 5 EGBDRO CC[C@H]([NH2+]Cc1c(Br)cccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC001119730973 1371395469 /nfs/dbraw/zinc/39/54/69/1371395469.db2.gz AWMUQTNGODSWPV-GXTWGEPZSA-N 1 0 343.221 3.405 20 5 EGBDRO CC(C)(C)[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC001119855215 1371414929 /nfs/dbraw/zinc/41/49/29/1371414929.db2.gz CPBQMRSBEHTHCA-DLBZAZTESA-N 1 0 345.443 3.077 20 5 EGBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@H]([NH3+])C1CCCCC1 ZINC001326277387 1388140569 /nfs/dbraw/zinc/14/05/69/1388140569.db2.gz LPDFCJJQLAOHAR-OAHLLOKOSA-N 1 0 339.823 3.114 20 5 EGBDRO C[NH+](C)[C@H]1CCOc2c(Nc3ccc(N)c([N+](=O)[O-])c3)cccc21 ZINC001209937889 1372237203 /nfs/dbraw/zinc/23/72/03/1372237203.db2.gz CFPBVCFNGKDRCB-HNNXBMFYSA-N 1 0 328.372 3.306 20 5 EGBDRO C[NH+]1CCN(c2ccc(Nc3ccc(F)c([N+](=O)[O-])c3)cc2)CC1 ZINC001211193124 1372497780 /nfs/dbraw/zinc/49/77/80/1372497780.db2.gz ZTBVHAVQPSQTMW-UHFFFAOYSA-N 1 0 330.363 3.229 20 5 EGBDRO Cc1cc(NC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)cc([N+](=O)[O-])c1 ZINC001124126216 1372677368 /nfs/dbraw/zinc/67/73/68/1372677368.db2.gz HBOQCUIATWFTTJ-HNNXBMFYSA-N 1 0 349.456 3.059 20 5 EGBDRO C[C@H](OCCC[C@@H]1CCC[NH2+]C1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001217830393 1373504969 /nfs/dbraw/zinc/50/49/69/1373504969.db2.gz BQMMVPBWMZQDAG-STQMWFEESA-N 1 0 336.388 3.181 20 5 EGBDRO O=[N+]([O-])c1cc(Br)c(F)cc1O[C@@H]1CCCC[NH2+]C1 ZINC001217971595 1373522893 /nfs/dbraw/zinc/52/28/93/1373522893.db2.gz MIGYRYVOEFBXNU-MRVPVSSYSA-N 1 0 333.157 3.017 20 5 EGBDRO Cc1cc(Br)c(O[C@@H]2CCCC[NH2+]C2)cc1[N+](=O)[O-] ZINC001217974097 1373523219 /nfs/dbraw/zinc/52/32/19/1373523219.db2.gz MRHWNSYTNVIQTI-SNVBAGLBSA-N 1 0 329.194 3.187 20 5 EGBDRO Cc1cc(Br)c(O[C@H]2CC[NH2+]CC[C@@H]2F)cc1[N+](=O)[O-] ZINC001218021879 1373539896 /nfs/dbraw/zinc/53/98/96/1373539896.db2.gz YCYQSPAINPFFJC-JQWIXIFHSA-N 1 0 347.184 3.135 20 5 EGBDRO C[C@H]1CC[NH2+]CC[C@@H]1Oc1cc([N+](=O)[O-])cc(F)c1Br ZINC001218031417 1373543224 /nfs/dbraw/zinc/54/32/24/1373543224.db2.gz OAIQTKFLIDYJHF-KWQFWETISA-N 1 0 347.184 3.263 20 5 EGBDRO Cc1c(Cl)cc([N+](=O)[O-])c(O[C@H]2C[NH2+][C@H](C)C2)c1Br ZINC001218039753 1373545656 /nfs/dbraw/zinc/54/56/56/1373545656.db2.gz VDWIOCUUQDXBCZ-HTRCEHHLSA-N 1 0 349.612 3.448 20 5 EGBDRO Oc1c2ccccc2c(OC[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)c2ccccc12 ZINC001218082829 1373557088 /nfs/dbraw/zinc/55/70/88/1373557088.db2.gz CVSSCMDTOSHWRB-MJXNMMHHSA-N 1 0 335.403 3.312 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCCCC2)cc1O[C@H]1CCC[C@@]12CC[NH2+]C2 ZINC001218098737 1373560279 /nfs/dbraw/zinc/56/02/79/1373560279.db2.gz ZCEFOKJVOGYWTM-OALUTQOASA-N 1 0 345.443 3.496 20 5 EGBDRO O=[N+]([O-])c1cc(O[C@@H]2CCC[C@@H]3C[NH2+]C[C@@H]32)ccc1Br ZINC001218144232 1373568489 /nfs/dbraw/zinc/56/84/89/1373568489.db2.gz MFSYSCKQMXEQAJ-OLUVUFQESA-N 1 0 341.205 3.124 20 5 EGBDRO O=[N+]([O-])c1ccc(C(F)(F)F)cc1O[C@@H]1CCC[C@@H]2C[NH2+]C[C@@H]21 ZINC001218144727 1373568626 /nfs/dbraw/zinc/56/86/26/1373568626.db2.gz POUYQYKWTVGNNO-SUZMYJTESA-N 1 0 330.306 3.381 20 5 EGBDRO C[NH2+][C@H]1CC[C@H](Oc2cc([N+](=O)[O-])cc(F)c2Br)CC1 ZINC001218190128 1373574722 /nfs/dbraw/zinc/57/47/22/1373574722.db2.gz WRSJMZCPZSLNNE-CZMCAQCFSA-N 1 0 347.184 3.406 20 5 EGBDRO O=[N+]([O-])c1cc(-c2ccccc2)ccc1OC[C@H]1C[NH2+]CCCO1 ZINC001218300455 1373591212 /nfs/dbraw/zinc/59/12/12/1373591212.db2.gz OCMADKJTOZROFF-MRXNPFEDSA-N 1 0 328.368 3.019 20 5 EGBDRO O=[N+]([O-])c1ccc(O[C@@H]2CC[NH2+]C3(CCC3)C2)cc1Br ZINC001218309458 1373593020 /nfs/dbraw/zinc/59/30/20/1373593020.db2.gz RJPBUTVSXHQUCD-LLVKDONJSA-N 1 0 341.205 3.411 20 5 EGBDRO O=[N+]([O-])c1ccc2nc(O[C@@H]3C=CC[NH2+]C3)cc(C(F)(F)F)c2c1 ZINC001218338303 1373599579 /nfs/dbraw/zinc/59/95/79/1373599579.db2.gz VYCCLSZRUDAZQU-SNVBAGLBSA-N 1 0 339.273 3.069 20 5 EGBDRO C[C@@H]1CC[C@H](Oc2ccc3c(c2)oc2cc(O)ccc2c3=O)C[NH2+]1 ZINC001218400341 1373607311 /nfs/dbraw/zinc/60/73/11/1373607311.db2.gz DLFQVNLSTHOPML-RISCZKNCSA-N 1 0 325.364 3.171 20 5 EGBDRO Cc1cc(O[C@@H]2C[NH2+]CCC23CC3)c([N+](=O)[O-])cc1Br ZINC001218406643 1373608559 /nfs/dbraw/zinc/60/85/59/1373608559.db2.gz VOSXIIDTPCRGHY-CYBMUJFWSA-N 1 0 341.205 3.187 20 5 EGBDRO O=[N+]([O-])c1cc(O[C@H]2C[NH2+]CCC23CC3)c(F)cc1Br ZINC001218406592 1373608765 /nfs/dbraw/zinc/60/87/65/1373608765.db2.gz VDQJBOXRIGMDMD-LBPRGKRZSA-N 1 0 345.168 3.017 20 5 EGBDRO CC1(C)C[C@@H](Oc2ccc([N+](=O)[O-])cc2Br)CC[NH2+]1 ZINC001218471818 1373620198 /nfs/dbraw/zinc/62/01/98/1373620198.db2.gz BRUFQRIAXSLJGC-JTQLQIEISA-N 1 0 329.194 3.267 20 5 EGBDRO [NH3+][C@@H](Cc1c2ccccc2cc2ccccc21)C(=O)Nc1cnoc1 ZINC001218574841 1373633712 /nfs/dbraw/zinc/63/37/12/1373633712.db2.gz VWWLKHXOCNUJMU-IBGZPJMESA-N 1 0 331.375 3.490 20 5 EGBDRO [NH3+][C@@H](Cc1c2ccccc2cc2ccccc21)C(=O)NC[C@@H]1CCOC1 ZINC001220020388 1373746564 /nfs/dbraw/zinc/74/65/64/1373746564.db2.gz HCWZORSSCYRZDK-BTYIYWSLSA-N 1 0 348.446 3.016 20 5 EGBDRO COCC[NH+]1CCC(Oc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC001225919362 1375175628 /nfs/dbraw/zinc/17/56/28/1375175628.db2.gz SGHDGJIIJQCFEG-UHFFFAOYSA-N 1 0 348.321 3.103 20 5 EGBDRO CC[NH+](CC)C[C@H](C)Oc1ccc([N+](=O)[O-])cc1Br ZINC001226040720 1375193637 /nfs/dbraw/zinc/19/36/37/1375193637.db2.gz HPPFRFLVNXASTG-JTQLQIEISA-N 1 0 331.210 3.466 20 5 EGBDRO CCOC(=O)c1ccc(O[C@H](C)C[N+](C)(C)C)c(Br)c1 ZINC001226083322 1375200668 /nfs/dbraw/zinc/20/06/68/1375200668.db2.gz XUKROHSPYWXZFT-LLVKDONJSA-N 1 0 345.257 3.099 20 5 EGBDRO O=[N+]([O-])c1cccc(O)c1O[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001226334510 1375242193 /nfs/dbraw/zinc/24/21/93/1375242193.db2.gz WAVFPAUCHWOPIU-OAHLLOKOSA-N 1 0 328.368 3.344 20 5 EGBDRO O=[N+]([O-])c1ccc(O[C@H]2CC[C@@H]([NH+]3CCOCC3)CC2)c(Cl)c1 ZINC001226760399 1375326794 /nfs/dbraw/zinc/32/67/94/1375326794.db2.gz IGMUSIODUDWDQN-XBXGTLAGSA-N 1 0 340.807 3.270 20 5 EGBDRO COC(=O)c1cccc([N+](=O)[O-])c1OC1CC[NH+](C(C)(C)C)CC1 ZINC001227123430 1375393791 /nfs/dbraw/zinc/39/37/91/1375393791.db2.gz CAXQOARYKGJTFJ-UHFFFAOYSA-N 1 0 336.388 3.023 20 5 EGBDRO C[C@@H](C[N+](C)(C)C)Oc1cc(=O)oc2ccc(Br)cc12 ZINC001227368921 1375423747 /nfs/dbraw/zinc/42/37/47/1375423747.db2.gz LURRBKNILAMWNP-JTQLQIEISA-N 1 0 341.225 3.029 20 5 EGBDRO O=[N+]([O-])c1c(Cl)nccc1OC1CCN(c2cc[nH+]cc2)CC1 ZINC001228057554 1375513762 /nfs/dbraw/zinc/51/37/62/1375513762.db2.gz PDYKBEHPQFPDGP-UHFFFAOYSA-N 1 0 334.763 3.086 20 5 EGBDRO CC[NH+](CC)C[C@@H](C)Oc1nc(C)c([N+](=O)[O-])cc1Br ZINC001228621243 1375618411 /nfs/dbraw/zinc/61/84/11/1375618411.db2.gz NWHFNFMDFVFXOR-SECBINFHSA-N 1 0 346.225 3.170 20 5 EGBDRO O=[N+]([O-])c1ccncc1O[C@@H]1CCN(Cc2ccccc2Cl)C1 ZINC001228881525 1375705129 /nfs/dbraw/zinc/70/51/29/1375705129.db2.gz GIYGSDDLAVFYHM-CYBMUJFWSA-N 1 0 333.775 3.297 20 5 EGBDRO O=[N+]([O-])c1ccc(OC2CCN(c3cc[nH+]cc3)CC2)nc1Cl ZINC001228933045 1375720686 /nfs/dbraw/zinc/72/06/86/1375720686.db2.gz ADZDNRAQNOBNEO-UHFFFAOYSA-N 1 0 334.763 3.086 20 5 EGBDRO CC[N@@H+]1CCC[C@@H](Oc2ccc([N+](=O)[O-])c(Br)c2)C1 ZINC001229085821 1375761128 /nfs/dbraw/zinc/76/11/28/1375761128.db2.gz HTNKUQOBJSDJOM-LLVKDONJSA-N 1 0 329.194 3.220 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(OC[C@H]2CCC3(CC[NH+](C)CC3)O2)cc1F ZINC001229892717 1375914468 /nfs/dbraw/zinc/91/44/68/1375914468.db2.gz PDOWBRWSZMWHKQ-CYBMUJFWSA-N 1 0 338.379 3.065 20 5 EGBDRO CC[NH+]1CCC(Oc2c(F)cc([N+](=O)[O-])cc2Br)CC1 ZINC001229898996 1375915775 /nfs/dbraw/zinc/91/57/75/1375915775.db2.gz OAGYVQQKDPNMDP-UHFFFAOYSA-N 1 0 347.184 3.360 20 5 EGBDRO CC(=O)c1c(F)cc(Br)cc1O[C@H](C)C[N+](C)(C)C ZINC001230597237 1376091840 /nfs/dbraw/zinc/09/18/40/1376091840.db2.gz LYFMKEXFLUJVRF-SECBINFHSA-N 1 0 333.221 3.264 20 5 EGBDRO c1cnc2c(c1)ccc1ccc(CN3CCC([NH+]4CCC4)CC3)nc12 ZINC001232229050 1376419047 /nfs/dbraw/zinc/41/90/47/1376419047.db2.gz YMBKQEAFHSGCLM-UHFFFAOYSA-N 1 0 332.451 3.453 20 5 EGBDRO O=C(CC1CCCCCC1)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001134409982 1376515923 /nfs/dbraw/zinc/51/59/23/1376515923.db2.gz BRIVYXCWBNBIHQ-UHFFFAOYSA-N 1 0 333.432 3.161 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(C[NH2+]C[C@H](O)C2CC2)o1 ZINC001327383969 1388509751 /nfs/dbraw/zinc/50/97/51/1388509751.db2.gz KXULRWMMFPSNDW-HNNXBMFYSA-N 1 0 336.775 3.369 20 5 EGBDRO CC(C)(C)[NH+]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC1 ZINC001327514348 1388545148 /nfs/dbraw/zinc/54/51/48/1388545148.db2.gz WKVQLPAJPDUFNX-UHFFFAOYSA-N 1 0 340.811 3.196 20 5 EGBDRO COc1cnc(N(CC[NH3+])c2cccc3ccccc32)c([N+](=O)[O-])c1 ZINC001154683515 1380331183 /nfs/dbraw/zinc/33/11/83/1380331183.db2.gz NNGVMKWPCBUTLT-UHFFFAOYSA-N 1 0 338.367 3.248 20 5 EGBDRO C[C@@H]1C[NH2+]CCC[C@@H]1CNc1nc(Cl)c(Cl)cc1[N+](=O)[O-] ZINC001155025709 1380393974 /nfs/dbraw/zinc/39/39/74/1380393974.db2.gz PZOVCSAHWAXNTH-RKDXNWHRSA-N 1 0 333.219 3.344 20 5 EGBDRO C[C@H]1C[NH2+]CCC[C@H]1CNc1ccc(-c2ccccc2[N+](=O)[O-])nn1 ZINC001155035040 1380395551 /nfs/dbraw/zinc/39/55/51/1380395551.db2.gz ZYMSVUJANHNNEV-KBPBESRZSA-N 1 0 341.415 3.099 20 5 EGBDRO Cc1nc(Cl)c([N+](=O)[O-])c(-n2ccc3cc([C@@H](C)[NH3+])ccc32)n1 ZINC001155338668 1380438906 /nfs/dbraw/zinc/43/89/06/1380438906.db2.gz MJGFYCUGPDYZHC-MRVPVSSYSA-N 1 0 331.763 3.310 20 5 EGBDRO O=[N+]([O-])c1ccc2ncc(N[C@@H]3CC[NH2+][C@H]3c3ccccc3)nc2c1 ZINC001155550870 1380467102 /nfs/dbraw/zinc/46/71/02/1380467102.db2.gz VYVJUKYLPLPALH-QAPCUYQASA-N 1 0 335.367 3.053 20 5 EGBDRO C[NH+](C)C[C@@]12C[C@@H]1CN(c1ccc3c(ccc(Cl)c3[N+](=O)[O-])n1)C2 ZINC001156385549 1380568930 /nfs/dbraw/zinc/56/89/30/1380568930.db2.gz NXPUTZBWKMZSNV-PIGZYNQJSA-N 1 0 346.818 3.184 20 5 EGBDRO CN(c1nc2ccccc2c(Cl)c1[N+](=O)[O-])[C@@]1(C)CCC[NH2+]C1 ZINC001156955803 1380737651 /nfs/dbraw/zinc/73/76/51/1380737651.db2.gz LVZKDCWIINPQAU-INIZCTEOSA-N 1 0 334.807 3.375 20 5 EGBDRO CC(C)[N@H+](C)[C@@H]1CCN(c2nc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC001157011096 1380751525 /nfs/dbraw/zinc/75/15/25/1380751525.db2.gz WAIZHMJJHYFONI-SECBINFHSA-N 1 0 333.219 3.216 20 5 EGBDRO C[NH2+][C@@H](C)CCNC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC001328221211 1388691653 /nfs/dbraw/zinc/69/16/53/1388691653.db2.gz ORDAZNASNLDFBW-ZDUSSCGKSA-N 1 0 342.399 3.066 20 5 EGBDRO C[NH+](C)[C@H]1CCCC[C@@H]1Nc1ccc(-c2ccc([N+](=O)[O-])cc2)nn1 ZINC001157803897 1381037849 /nfs/dbraw/zinc/03/78/49/1381037849.db2.gz WRCJVJAIHRTDAP-IRXDYDNUSA-N 1 0 341.415 3.337 20 5 EGBDRO [NH3+]CCCc1nc2ccc(Cl)cc2n1-c1ncc(F)cc1[N+](=O)[O-] ZINC001158134730 1381138043 /nfs/dbraw/zinc/13/80/43/1381138043.db2.gz FMZFALSYFZEMNL-UHFFFAOYSA-N 1 0 349.753 3.013 20 5 EGBDRO CCN(c1ccc([N+](=O)[O-])c(-c2ccccc2)n1)[C@@H]1CCC[NH2+]C1 ZINC001158207424 1381158548 /nfs/dbraw/zinc/15/85/48/1381158548.db2.gz KWADLAPKMDTLFJ-OAHLLOKOSA-N 1 0 326.400 3.235 20 5 EGBDRO Cc1ccc(Nc2ccc(OCC3CC[NH2+]CC3)nc2)cc1[N+](=O)[O-] ZINC001159344095 1381771489 /nfs/dbraw/zinc/77/14/89/1381771489.db2.gz MWCPKCAWULBFNF-UHFFFAOYSA-N 1 0 342.399 3.420 20 5 EGBDRO Cc1ccnc(N(CC[NH3+])C23CC4CC(CC(C4)C2)C3)c1[N+](=O)[O-] ZINC001159538498 1381821802 /nfs/dbraw/zinc/82/18/02/1381821802.db2.gz XPIGBLOUTMHKQZ-UHFFFAOYSA-N 1 0 330.432 3.032 20 5 EGBDRO Cc1ccc2c(C[C@H](C)[NH3+])cn(-c3ncc([N+](=O)[O-])cc3F)c2c1 ZINC001160011744 1381967217 /nfs/dbraw/zinc/96/72/17/1381967217.db2.gz PUYBPZZUFXBUFB-NSHDSACASA-N 1 0 328.347 3.271 20 5 EGBDRO COc1ccc(Nc2c(F)cccc2O[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC001160127717 1382006157 /nfs/dbraw/zinc/00/61/57/1382006157.db2.gz AZYDRDKALOZYNT-GFCCVEGCSA-N 1 0 347.346 3.227 20 5 EGBDRO O=[N+]([O-])c1cc(F)cc(Nc2c(F)cccc2O[C@@H]2CC[NH2+]C2)c1 ZINC001160135549 1382011341 /nfs/dbraw/zinc/01/13/41/1382011341.db2.gz VOXHTJQTILKFQV-CYBMUJFWSA-N 1 0 335.310 3.357 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1Nc1cc(F)ccc1O[C@@H]1CC[NH2+]C1 ZINC001160142006 1382013805 /nfs/dbraw/zinc/01/38/05/1382013805.db2.gz YYRWFLFHVFNDSQ-CYBMUJFWSA-N 1 0 347.346 3.227 20 5 EGBDRO O=[N+]([O-])c1cc(O)cc(Nc2cccc(O[C@H]3CCC[NH2+]C3)c2)c1 ZINC001160218310 1382037405 /nfs/dbraw/zinc/03/74/05/1382037405.db2.gz CUDHNSAWYWBGDE-KRWDZBQOSA-N 1 0 329.356 3.175 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)c2ncnc(NCCC[NH+]3CCCC3)c2c1 ZINC001328487128 1388761182 /nfs/dbraw/zinc/76/11/82/1388761182.db2.gz FDEYLCNGOWUULO-UHFFFAOYSA-N 1 0 335.795 3.089 20 5 EGBDRO CN(Cc1c2ccccc2cc2ccccc21)C(=O)[C@@H]1C[NH2+]CCCO1 ZINC001160734979 1382181791 /nfs/dbraw/zinc/18/17/91/1382181791.db2.gz NJBSSHLOECCNDR-NRFANRHFSA-N 1 0 348.446 3.330 20 5 EGBDRO C[N@@H+]1CCC[C@@H]1CCNc1ccc(-c2ccc(F)c([N+](=O)[O-])c2)nn1 ZINC001160968419 1382255230 /nfs/dbraw/zinc/25/52/30/1382255230.db2.gz NAYSEMWNGCTXFT-CYBMUJFWSA-N 1 0 345.378 3.087 20 5 EGBDRO CC(C)(C)C[NH+]1CCC(Nc2ncnc3cc([N+](=O)[O-])ccc32)CC1 ZINC001161207471 1382342175 /nfs/dbraw/zinc/34/21/75/1382342175.db2.gz QNELFSOQCQNUSH-UHFFFAOYSA-N 1 0 343.431 3.460 20 5 EGBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2CCC([NH3+])(CC3CCC3)CC2)n1 ZINC001161571597 1382442651 /nfs/dbraw/zinc/44/26/51/1382442651.db2.gz PNBROEFSHIVDIX-UHFFFAOYSA-N 1 0 338.839 3.440 20 5 EGBDRO [NH3+]Cc1cc(Br)ccc1Nc1ncc([N+](=O)[O-])cc1F ZINC001161852579 1382530287 /nfs/dbraw/zinc/53/02/87/1382530287.db2.gz XTERVMRKNUZQBP-UHFFFAOYSA-N 1 0 341.140 3.094 20 5 EGBDRO O=C(NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CCC2(CC2)CC1 ZINC001162674516 1382829792 /nfs/dbraw/zinc/82/97/92/1382829792.db2.gz VXCRHHMZPKUYQH-UHFFFAOYSA-N 1 0 345.443 3.161 20 5 EGBDRO O=[N+]([O-])c1cccc2c1ccnc2NCc1ccc2c(c1)CC[NH2+]C2 ZINC001162794982 1382874853 /nfs/dbraw/zinc/87/48/53/1382874853.db2.gz CGXWOWMBESMEAV-UHFFFAOYSA-N 1 0 334.379 3.401 20 5 EGBDRO O=[N+]([O-])c1cnc(N[C@H]2C[NH2+]Cc3ccsc32)c(C(F)(F)F)c1 ZINC001163228155 1382999483 /nfs/dbraw/zinc/99/94/83/1382999483.db2.gz IIIMQSMXPXVVQO-JTQLQIEISA-N 1 0 344.318 3.327 20 5 EGBDRO Cc1cc(Cl)nc(NC[C@@H]2Cc3ccccc3C[NH2+]2)c1[N+](=O)[O-] ZINC001163273144 1383009993 /nfs/dbraw/zinc/00/99/93/1383009993.db2.gz WUJSRHXBCALPSP-ZDUSSCGKSA-N 1 0 332.791 3.078 20 5 EGBDRO CCC(CC)C(=O)NCCC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001163510360 1383069662 /nfs/dbraw/zinc/06/96/62/1383069662.db2.gz IKFBGODAVSNKOO-UHFFFAOYSA-N 1 0 347.459 3.407 20 5 EGBDRO [NH3+]Cc1cc2cc(Cl)ccc2n1-c1ncnc(Cl)c1[N+](=O)[O-] ZINC001163898192 1383133789 /nfs/dbraw/zinc/13/37/89/1383133789.db2.gz TXGJGAWTXYVYST-UHFFFAOYSA-N 1 0 338.154 3.094 20 5 EGBDRO C[C@@]1(C[NH3+])CCCN(c2nc(Cl)c(Cl)cc2[N+](=O)[O-])CC1 ZINC001164242829 1383170347 /nfs/dbraw/zinc/17/03/47/1383170347.db2.gz RTCHOVFDNNICDR-CYBMUJFWSA-N 1 0 333.219 3.252 20 5 EGBDRO C[C@@]1(C[NH3+])CCCN(c2nc(Cl)nc3ccc([N+](=O)[O-])cc32)CC1 ZINC001164242500 1383170322 /nfs/dbraw/zinc/17/03/22/1383170322.db2.gz MGJVTIBSZSLNMK-MRXNPFEDSA-N 1 0 349.822 3.147 20 5 EGBDRO C[C@@]1(C[NH3+])CCCN(c2cc3ncnc(Cl)c3cc2[N+](=O)[O-])CC1 ZINC001164242040 1383170547 /nfs/dbraw/zinc/17/05/47/1383170547.db2.gz HMTZYNSDRKCLII-MRXNPFEDSA-N 1 0 349.822 3.147 20 5 EGBDRO CC/C(C)=C/C(=O)NCCC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001164446865 1383187568 /nfs/dbraw/zinc/18/75/68/1383187568.db2.gz GDCRLMDNUDHFCB-RVDMUPIBSA-N 1 0 345.443 3.327 20 5 EGBDRO CC(C)[N@@H+]1CCN(c2nc(Cl)nc3ccc([N+](=O)[O-])cc32)C[C@H]1C ZINC001165198790 1383245319 /nfs/dbraw/zinc/24/53/19/1383245319.db2.gz ANKDFVJAIRSWPW-LLVKDONJSA-N 1 0 349.822 3.110 20 5 EGBDRO O=[N+]([O-])c1cc2nc(Cl)ccc2cc1N1CCC(C2C[NH2+]C2)CC1 ZINC001165411770 1383290180 /nfs/dbraw/zinc/29/01/80/1383290180.db2.gz GRMWVVJBWPKNKJ-UHFFFAOYSA-N 1 0 346.818 3.232 20 5 EGBDRO CC(=O)Nc1ccc(NCC2CC[NH+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC001166623600 1383448872 /nfs/dbraw/zinc/44/88/72/1383448872.db2.gz RCMCINIEBYBNLP-UHFFFAOYSA-N 1 0 334.420 3.086 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)c(Cl)nc1N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC001166902664 1383496831 /nfs/dbraw/zinc/49/68/31/1383496831.db2.gz IEZMZPYHZPARKW-LLVKDONJSA-N 1 0 345.230 3.265 20 5 EGBDRO CC1(C)CC([NH3+])CC(C)(C)N1c1ccc2nsnc2c1[N+](=O)[O-] ZINC001167624660 1383691515 /nfs/dbraw/zinc/69/15/15/1383691515.db2.gz CYKQXLKKSOHNLQ-UHFFFAOYSA-N 1 0 335.433 3.084 20 5 EGBDRO [NH3+]CCc1cn(-c2ccc3ncccc3c2[N+](=O)[O-])c2ccc(O)cc12 ZINC001167985674 1383787915 /nfs/dbraw/zinc/78/79/15/1383787915.db2.gz JXYSKZLQUYNEOE-UHFFFAOYSA-N 1 0 348.362 3.294 20 5 EGBDRO Cc1ncn(-c2c(Cl)cc(C)cc2[N+](=O)[O-])c1CSCC[NH3+] ZINC001168792252 1384006747 /nfs/dbraw/zinc/00/67/47/1384006747.db2.gz UMEJYRLGKBZUMT-UHFFFAOYSA-N 1 0 340.836 3.243 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C2(c3ccccc3Br)CC2)C1 ZINC001168985584 1384079097 /nfs/dbraw/zinc/07/90/97/1384079097.db2.gz TVKGFLLGBSSFAT-VXGBXAGGSA-N 1 0 339.233 3.473 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2cn(Cc3ccc(Cl)cc3)cn2)C1 ZINC001168990068 1384079935 /nfs/dbraw/zinc/07/99/35/1384079935.db2.gz BESVZJWDVHNJTI-ZBFHGGJFSA-N 1 0 348.834 3.120 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CCc2ccsc2Br)C1 ZINC001169001007 1384083786 /nfs/dbraw/zinc/08/37/86/1384083786.db2.gz CEAMJRQIGNDQPN-ONGXEEELSA-N 1 0 333.251 3.088 20 5 EGBDRO CN(C)C[C@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)C12CC3CC(CC(C3)C1)C2 ZINC001169003125 1384085203 /nfs/dbraw/zinc/08/52/03/1384085203.db2.gz NSBRQTXQHIBYBF-DQGUZYCYSA-N 1 0 349.519 3.168 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CCc2cc(Br)cs2)C1 ZINC001169003642 1384085376 /nfs/dbraw/zinc/08/53/76/1384085376.db2.gz OVEUGNMQCZCNJS-MWLCHTKSSA-N 1 0 333.251 3.088 20 5 EGBDRO CCC[N@H+]([C@H](C)C(=O)Nc1ccccc1C)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169035479 1384095418 /nfs/dbraw/zinc/09/54/18/1384095418.db2.gz BKPTYCWPDZTCTH-BRWVUGGUSA-N 1 0 347.459 3.479 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCc3c(Br)cccc3C2)C1 ZINC001169039007 1384098369 /nfs/dbraw/zinc/09/83/69/1384098369.db2.gz MIGKTJCULXVNMK-DGCLKSJQSA-N 1 0 339.233 3.253 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CC3(CC(OCc4ccccc4)C3)C2)C1 ZINC001169039914 1384098588 /nfs/dbraw/zinc/09/85/88/1384098588.db2.gz VTIVMKXJDCGVSU-DLBZAZTESA-N 1 0 330.428 3.113 20 5 EGBDRO CC1(C)C[C@@H](Nc2ccc3c([N+](=O)[O-])c[nH]c3n2)C[C@@](C)(C[NH3+])C1 ZINC001169138598 1384112469 /nfs/dbraw/zinc/11/24/69/1384112469.db2.gz QYQMGVSPGAHOSI-PIGZYNQJSA-N 1 0 331.420 3.427 20 5 EGBDRO CC1(C)C[C@H](Nc2c(Cl)cncc2[N+](=O)[O-])C[C@](C)(C[NH3+])C1 ZINC001169143562 1384113580 /nfs/dbraw/zinc/11/35/80/1384113580.db2.gz KPHNTHJQVPOXKE-BONVTDFDSA-N 1 0 326.828 3.021 20 5 EGBDRO CC1(C)C[C@H](Nc2cccc3ncc([N+](=O)[O-])n32)C[C@@](C)(C[NH3+])C1 ZINC001169148627 1384115137 /nfs/dbraw/zinc/11/51/37/1384115137.db2.gz YNEWIXQWYFWRDI-YVEFUNNKSA-N 1 0 331.420 3.198 20 5 EGBDRO CC1(C)C[C@H](Nc2ccc3nc[nH]c3c2[N+](=O)[O-])C[C@](C)(C[NH3+])C1 ZINC001169152121 1384115820 /nfs/dbraw/zinc/11/58/20/1384115820.db2.gz OTEOIXDRMHSQMZ-GTNSWQLSSA-N 1 0 331.420 3.427 20 5 EGBDRO COc1ccc2c(c1)c(CC[NH3+])c(C)n2-c1nc(C)ccc1[N+](=O)[O-] ZINC001169173773 1384119270 /nfs/dbraw/zinc/11/92/70/1384119270.db2.gz NAJQEUKYRCVFFU-UHFFFAOYSA-N 1 0 340.383 3.060 20 5 EGBDRO CNc1cc([N+](=O)[O-])cnc1N1CCC[C@H]([NH3+])c2cc(C)ccc21 ZINC001169685160 1384173710 /nfs/dbraw/zinc/17/37/10/1384173710.db2.gz OUUSZLZSTWPEOX-AWEZNQCLSA-N 1 0 327.388 3.272 20 5 EGBDRO CCOc1ccccc1OCCNc1cc2c(cc1[N+](=O)[O-])C[NH2+]C2 ZINC001169787330 1384186198 /nfs/dbraw/zinc/18/61/98/1384186198.db2.gz XFCWKAOVFBCPCH-UHFFFAOYSA-N 1 0 343.383 3.088 20 5 EGBDRO O=[N+]([O-])c1ccc(Sc2ccc(NC[C@H]3COCC[NH2+]3)cc2)cc1 ZINC001170042505 1384224199 /nfs/dbraw/zinc/22/41/99/1384224199.db2.gz AFJXHQDOTQFNCA-AWEZNQCLSA-N 1 0 345.424 3.146 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+]CC(=O)c2ccccc2)c([N+](=O)[O-])c1 ZINC001170297913 1384285243 /nfs/dbraw/zinc/28/52/43/1384285243.db2.gz VQLJUXJTPLZYNR-ZDUSSCGKSA-N 1 0 328.368 3.007 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+]Cc2ccc(O)cc2F)c([N+](=O)[O-])c1 ZINC001170317341 1384289265 /nfs/dbraw/zinc/28/92/65/1384289265.db2.gz GGOJXMDOKKMTDP-NSHDSACASA-N 1 0 334.347 3.169 20 5 EGBDRO COc1ccc(C[C@@H](C)[N@@H+]2CCC[C@@H]2c2cnccn2)c([N+](=O)[O-])c1 ZINC001170348036 1384296851 /nfs/dbraw/zinc/29/68/51/1384296851.db2.gz VELSFQVLOHNWKY-CXAGYDPISA-N 1 0 342.399 3.162 20 5 EGBDRO COc1ccc(C[C@@H](C)N2CCn3cccc3[C@@H]2C)c([N+](=O)[O-])c1 ZINC001170352798 1384298245 /nfs/dbraw/zinc/29/82/45/1384298245.db2.gz QPWWUALNXLBIEO-KGLIPLIRSA-N 1 0 329.400 3.413 20 5 EGBDRO CNc1cc([N+](=O)[O-])cnc1-n1cc(C[C@@H](C)[NH3+])c2ccc(C)cc21 ZINC001171163874 1384458595 /nfs/dbraw/zinc/45/85/95/1384458595.db2.gz CLCKRRFZJUUBKM-GFCCVEGCSA-N 1 0 339.399 3.174 20 5 EGBDRO [NH3+]CCc1cc2ccccc2n1-c1ccc2nsnc2c1[N+](=O)[O-] ZINC001171305706 1384490384 /nfs/dbraw/zinc/49/03/84/1384490384.db2.gz WBNJHOYKWUWLHP-UHFFFAOYSA-N 1 0 339.380 3.045 20 5 EGBDRO C[C@](O)(C[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1ccccc1 ZINC001172895317 1384873901 /nfs/dbraw/zinc/87/39/01/1384873901.db2.gz CAYUNKJVSRDHKA-QUCCMNQESA-N 1 0 340.423 3.340 20 5 EGBDRO COc1cc(C[NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)ccc1O ZINC001172899226 1384874336 /nfs/dbraw/zinc/87/43/36/1384874336.db2.gz MMJSOCJKVZNCGH-INIZCTEOSA-N 1 0 342.395 3.346 20 5 EGBDRO C[N@H+](CCc1ccccn1)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172907659 1384875364 /nfs/dbraw/zinc/87/53/64/1384875364.db2.gz HGQZBYAMIDTYIH-SFHVURJKSA-N 1 0 325.412 3.412 20 5 EGBDRO Cc1ccc([C@@H](CO)[NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)cc1 ZINC001172907148 1384875512 /nfs/dbraw/zinc/87/55/12/1384875512.db2.gz PWRRXVRDXRTJSE-AZUAARDMSA-N 1 0 340.423 3.474 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]Cc1nccc(Cl)n1)CC2 ZINC001172913482 1384876704 /nfs/dbraw/zinc/87/67/04/1384876704.db2.gz WCMDRWBBUKDWAX-CYBMUJFWSA-N 1 0 332.791 3.075 20 5 EGBDRO Cc1ncc(C[N@@H+](C)[C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)cn1 ZINC001172921008 1384878881 /nfs/dbraw/zinc/87/88/81/1384878881.db2.gz NUVAQUJCFYAVIX-QGZVFWFLSA-N 1 0 326.400 3.073 20 5 EGBDRO COC(=O)C[C@H]1CCC[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172919624 1384878967 /nfs/dbraw/zinc/87/89/67/1384878967.db2.gz GWZAGGANNHDHIW-RHSMWYFYSA-N 1 0 346.427 3.117 20 5 EGBDRO Cc1noc([C@H]2CC[N@@H+]([C@@H]3CCc4ccc([N+](=O)[O-])cc4CC3)C2)n1 ZINC001172919634 1384879379 /nfs/dbraw/zinc/87/93/79/1384879379.db2.gz GXKCCCOJCIXSGY-JKSUJKDBSA-N 1 0 342.399 3.023 20 5 EGBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH2+][C@@H]3C[C@H]3C3CC3)CC2)c(F)c1 ZINC001173013949 1384897613 /nfs/dbraw/zinc/89/76/13/1384897613.db2.gz IHICDNPSGUQRQT-XJKSGUPXSA-N 1 0 337.370 3.230 20 5 EGBDRO CSCCC[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173012073 1384897739 /nfs/dbraw/zinc/89/77/39/1384897739.db2.gz NGJZHCSRUJGREL-UHFFFAOYSA-N 1 0 345.415 3.185 20 5 EGBDRO CC1([NH2+]C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)CCC1 ZINC001173012174 1384897745 /nfs/dbraw/zinc/89/77/45/1384897745.db2.gz PLMUXSFZCAMUSK-UHFFFAOYSA-N 1 0 325.359 3.374 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]Cc2ccc(C)n2C)c1F ZINC001173180889 1384932702 /nfs/dbraw/zinc/93/27/02/1384932702.db2.gz ZATUPCIRFLYHFW-NSHDSACASA-N 1 0 335.379 3.110 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2CC[C@](C)(CF)C2)c1F ZINC001173182776 1384932748 /nfs/dbraw/zinc/93/27/48/1384932748.db2.gz TZDPNKCUZIWYPB-BDJLRTHQSA-N 1 0 328.359 3.355 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C2CCC(OC)CC2)c1F ZINC001173188066 1384933298 /nfs/dbraw/zinc/93/32/98/1384933298.db2.gz HZFGJGGYNRZQCD-PNESKVBLSA-N 1 0 340.395 3.221 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+](C)CCc2ccncc2)c1F ZINC001173189214 1384933329 /nfs/dbraw/zinc/93/33/29/1384933329.db2.gz JKLYGUZDNYLLSJ-ZDUSSCGKSA-N 1 0 347.390 3.243 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C2(c3ccccn3)CC2)c1F ZINC001173190017 1384933579 /nfs/dbraw/zinc/93/35/79/1384933579.db2.gz UBQKNAQEIMHNDI-GFCCVEGCSA-N 1 0 345.374 3.347 20 5 EGBDRO COC(=O)c1cccc(C[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001173211946 1384937061 /nfs/dbraw/zinc/93/70/61/1384937061.db2.gz VSGTYZLMAMNEMR-CYBMUJFWSA-N 1 0 328.368 3.102 20 5 EGBDRO COc1ccc(C2([NH2+][C@@H](C)Cc3ccc([N+](=O)[O-])cc3)COC2)cc1 ZINC001173218526 1384937680 /nfs/dbraw/zinc/93/76/80/1384937680.db2.gz PSYYBNHGRGEFJI-AWEZNQCLSA-N 1 0 342.395 3.050 20 5 EGBDRO COc1cccc2c1OC[C@H]2[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173223984 1384938853 /nfs/dbraw/zinc/93/88/53/1384938853.db2.gz CSPGRBHPVOUVDZ-MLGOLLRUSA-N 1 0 328.368 3.258 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cn(CC(F)(F)F)cn1 ZINC001173223732 1384939055 /nfs/dbraw/zinc/93/90/55/1384939055.db2.gz LHHQPMZATMKODR-NSHDSACASA-N 1 0 342.321 3.074 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1nccn1CC(F)(F)F ZINC001173223305 1384939119 /nfs/dbraw/zinc/93/91/19/1384939119.db2.gz HVLLSQITIHJHCS-LLVKDONJSA-N 1 0 342.321 3.074 20 5 EGBDRO COC[C@]12CCCO[C@@H]1CC[N@@H+]([C@@H](C)Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001173224861 1384939285 /nfs/dbraw/zinc/93/92/85/1384939285.db2.gz LYOBFEBWKFBNEU-KFKAGJAMSA-N 1 0 348.443 3.043 20 5 EGBDRO COc1ccnc(C(C)(C)C[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001173226574 1384940188 /nfs/dbraw/zinc/94/01/88/1384940188.db2.gz XUXIZSVMNXACNO-CQSZACIVSA-N 1 0 343.427 3.497 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC001173226428 1384940345 /nfs/dbraw/zinc/94/03/45/1384940345.db2.gz KDENFTQOTLDFTQ-RDTXWAMCSA-N 1 0 327.384 3.074 20 5 EGBDRO CCOC(=O)[C@@]1(C)CCC[N@@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173231469 1384940675 /nfs/dbraw/zinc/94/06/75/1384940675.db2.gz LJHSOELWJAIIPI-KSSFIOAISA-N 1 0 334.416 3.191 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](CO)Cc1cccc(Cl)c1 ZINC001173232859 1384941528 /nfs/dbraw/zinc/94/15/28/1384941528.db2.gz GGYDCJYBCYAODP-SUMWQHHRSA-N 1 0 348.830 3.372 20 5 EGBDRO CC(C)CC(=O)N1CCC([NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173236119 1384941953 /nfs/dbraw/zinc/94/19/53/1384941953.db2.gz XBBBQWSFGHJBLN-HNNXBMFYSA-N 1 0 347.459 3.153 20 5 EGBDRO Cc1ccc(O[C@H]2CC[N@@H+]([C@H](C)Cc3ccc([N+](=O)[O-])cc3)C2)nc1 ZINC001173236814 1384942123 /nfs/dbraw/zinc/94/21/23/1384942123.db2.gz FIZGQHLIDUOCLQ-QAPCUYQASA-N 1 0 341.411 3.383 20 5 EGBDRO Cc1cccc(O[C@@H]2CC[N@@H+]([C@H](C)Cc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC001173237746 1384942854 /nfs/dbraw/zinc/94/28/54/1384942854.db2.gz LVKHHLPBMRMOIE-CRAIPNDOSA-N 1 0 341.411 3.383 20 5 EGBDRO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC001319159779 1385986970 /nfs/dbraw/zinc/98/69/70/1385986970.db2.gz JSBPCIIBPAWYEV-HZPDHXFCSA-N 1 0 348.447 3.002 20 5 EGBDRO CC[C@@]1(CO)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Br ZINC001320893859 1386750526 /nfs/dbraw/zinc/75/05/26/1386750526.db2.gz CCIQEJCIYWFLCY-AWEZNQCLSA-N 1 0 343.221 3.094 20 5 EGBDRO CS[C@H]1CC[C@H]([N@H+](C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC001322156339 1387080295 /nfs/dbraw/zinc/08/02/95/1387080295.db2.gz COBGDOOJXSDDDZ-JSGCOSHPSA-N 1 0 348.428 3.361 20 5 EGBDRO O=C(Nc1cc2cccnc2c2ncccc12)[C@@H]1C[NH+]2CCC1CC2 ZINC001182010249 1387093990 /nfs/dbraw/zinc/09/39/90/1387093990.db2.gz JWZZHOOYKBBANN-MRXNPFEDSA-N 1 0 332.407 3.063 20 5 EGBDRO CCC[N@@H+]1CCCC[C@@H]1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC001329395918 1389095333 /nfs/dbraw/zinc/09/53/33/1389095333.db2.gz CZOIKWTYUXXBNX-GOSISDBHSA-N 1 0 347.459 3.298 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1[C@@H]2CCC[NH2+][C@H]2C1(C)C ZINC001337008083 1389235189 /nfs/dbraw/zinc/23/51/89/1389235189.db2.gz RWEIRKNUCKIZAV-KBRIMQKVSA-N 1 0 345.443 3.026 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+]CCC(=O)N2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC001337294688 1389296318 /nfs/dbraw/zinc/29/63/18/1389296318.db2.gz RTLXGSXFZXCPOL-DZGCQCFKSA-N 1 0 333.432 3.202 20 5 EGBDRO CC(C)(C)c1ccc(C(=O)N2CC[NH2+]CCC23CCC3)cc1[N+](=O)[O-] ZINC001330942607 1389572942 /nfs/dbraw/zinc/57/29/42/1389572942.db2.gz VAKKBIFXWMYUPM-UHFFFAOYSA-N 1 0 345.443 3.251 20 5 EGBDRO Cc1c(F)cccc1NC(=O)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001338408752 1389676913 /nfs/dbraw/zinc/67/69/13/1389676913.db2.gz ULELCTNTKHVYHF-UHFFFAOYSA-N 1 0 331.347 3.161 20 5 EGBDRO CC[NH+](CC)C1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC001338729059 1389745715 /nfs/dbraw/zinc/74/57/15/1389745715.db2.gz GWIAXGJLNOCYDX-UHFFFAOYSA-N 1 0 344.415 3.023 20 5 EGBDRO [NH3+]CCCCNC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC001332178687 1390023527 /nfs/dbraw/zinc/02/35/27/1390023527.db2.gz GHOJLKVPYOJJFU-UHFFFAOYSA-N 1 0 337.445 3.098 20 5 EGBDRO CC(C)[N@H+](CCc1ccccc1)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001340765962 1390362196 /nfs/dbraw/zinc/36/21/96/1390362196.db2.gz IENPNBBIEGLWAT-UHFFFAOYSA-N 1 0 341.411 3.486 20 5 EGBDRO CC(C)(C)[C@@H]1CCC[C@@H]1NC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC001340889502 1390397392 /nfs/dbraw/zinc/39/73/92/1390397392.db2.gz SVXSIGXTKVJUAN-RVKKMQEKSA-N 1 0 333.432 3.100 20 5 EGBDRO C[C@@H]([NH2+][C@@H](C)COc1ccccc1F)c1ccc(N)c([N+](=O)[O-])c1 ZINC001343916510 1390744073 /nfs/dbraw/zinc/74/40/73/1390744073.db2.gz MLIPSONOUPJODM-NWDGAFQWSA-N 1 0 333.363 3.434 20 5 EGBDRO CC(C)n1cc2c(n1)[C@@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)CCC2 ZINC001345636740 1390870859 /nfs/dbraw/zinc/87/08/59/1390870859.db2.gz PEBVESJNTWQXBD-IRXDYDNUSA-N 1 0 344.415 3.073 20 5 EGBDRO Cc1ccc([C@H](C)NC(=O)[C@@H]2CC[C@@H]3C[C@@H](C)C[N@@H+]3C2)cc1[N+](=O)[O-] ZINC001346668336 1390968015 /nfs/dbraw/zinc/96/80/15/1390968015.db2.gz LMIVKUNYORQJBZ-JWZBEHFJSA-N 1 0 345.443 3.201 20 5 EGBDRO C[N@@H+]1CCCC[C@@H](CNc2ncnc3c(Cl)cc([N+](=O)[O-])cc23)C1 ZINC001351365792 1391632264 /nfs/dbraw/zinc/63/22/64/1391632264.db2.gz YJVROGFDKMVACM-NSHDSACASA-N 1 0 349.822 3.335 20 5 EGBDRO CC[N@H+](C)C[C@@H]1CCN(c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC001353200684 1391957347 /nfs/dbraw/zinc/95/73/47/1391957347.db2.gz GJLLTUSQMQMASE-NSHDSACASA-N 1 0 331.338 3.392 20 5 EGBDRO O=C(CC[NH2+]CCCc1ccsc1)Nc1ccccc1[N+](=O)[O-] ZINC001353288424 1391983833 /nfs/dbraw/zinc/98/38/33/1391983833.db2.gz YQPOXELGGLXLJD-UHFFFAOYSA-N 1 0 333.413 3.207 20 5 EGBDRO CCC(CC)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001752771536 1440206063 /nfs/dbraw/zinc/20/60/63/1440206063.db2.gz UWVRBKIMZDUFCQ-IYBDPMFKSA-N 1 0 333.432 3.158 20 5 EGBDRO CCC[N@H+](CCNC(=O)c1ccc(C)o1)Cc1cccc([N+](=O)[O-])c1 ZINC001753142077 1440321999 /nfs/dbraw/zinc/32/19/99/1440321999.db2.gz OKTDISWXSGBXIN-UHFFFAOYSA-N 1 0 345.399 3.138 20 5 EGBDRO CCC(C)(C)C(=O)NCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001753159632 1440332969 /nfs/dbraw/zinc/33/29/69/1440332969.db2.gz NVVALFYCDLTNAZ-UHFFFAOYSA-N 1 0 333.432 3.112 20 5 EGBDRO C[C@H]1CC[C@H](C(=O)N(C)CC[NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC001753253473 1440343234 /nfs/dbraw/zinc/34/32/34/1440343234.db2.gz NBFLNSKEJXJPDE-MQMHXKEQSA-N 1 0 339.461 3.031 20 5 EGBDRO CCC1(C(=O)N(C)CCC[N@H+](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001755041216 1440737459 /nfs/dbraw/zinc/73/74/59/1440737459.db2.gz IAGHTXIFDQNUIE-UHFFFAOYSA-N 1 0 333.432 3.065 20 5 EGBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1c1cc2ccc(Cl)nc2cc1[N+](=O)[O-] ZINC001164634531 719253979 /nfs/dbraw/zinc/25/39/79/719253979.db2.gz MTJRFTWDEOBXLZ-GHMZBOCLSA-N 1 0 334.807 3.325 20 5 EGBDRO Cc1cc(N2CC[NH+](CC(C)C)CC2)nc2ccc([N+](=O)[O-])cc12 ZINC001164651229 719331149 /nfs/dbraw/zinc/33/11/49/719331149.db2.gz DPIMNWNNCMDHSN-UHFFFAOYSA-N 1 0 328.416 3.229 20 5 EGBDRO CC[NH+](CC)C1CCN(c2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC001165052869 722004883 /nfs/dbraw/zinc/00/48/83/722004883.db2.gz FWNKJBBIRAJFHV-UHFFFAOYSA-N 1 0 328.416 3.454 20 5 EGBDRO Cc1ncsc1CC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174241943 231158878 /nfs/dbraw/zinc/15/88/78/231158878.db2.gz OHGCXHGTPSZGIQ-UHFFFAOYSA-N 1 0 347.440 3.446 20 5 EGBDRO CC[C@H](NC1CC[NH+](CCCOC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000159176395 529584639 /nfs/dbraw/zinc/58/46/39/529584639.db2.gz GVXBASIMZWUNQV-SFHVURJKSA-N 1 0 335.448 3.136 20 5 EGBDRO CCc1ccc(C(=O)NC2CC[NH+](C(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000174115633 529602091 /nfs/dbraw/zinc/60/20/91/529602091.db2.gz YLHIAVRWBDKSCS-UHFFFAOYSA-N 1 0 333.432 3.150 20 5 EGBDRO CC[NH+](CC)CC1CCN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000049078709 213985074 /nfs/dbraw/zinc/98/50/74/213985074.db2.gz DJUYKPALVKZHLF-UHFFFAOYSA-N 1 0 333.432 3.097 20 5 EGBDRO COc1cc(C[NH2+]C2CC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000101588474 219143325 /nfs/dbraw/zinc/14/33/25/219143325.db2.gz XBKAGYJIKWQGHV-UHFFFAOYSA-N 1 0 328.368 3.434 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)NCc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000181838404 234344803 /nfs/dbraw/zinc/34/48/03/234344803.db2.gz LHXMYULXCCXZAD-CYBMUJFWSA-N 1 0 345.374 3.009 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+]CCC(=O)N2CCCCCC2)cc1[N+](=O)[O-] ZINC000129065649 223016549 /nfs/dbraw/zinc/01/65/49/223016549.db2.gz GJBRUAFCBGPAEE-OAHLLOKOSA-N 1 0 333.432 3.347 20 5 EGBDRO C[C@@](O)(CC[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000189828012 237291518 /nfs/dbraw/zinc/29/15/18/237291518.db2.gz GJNFZABUHWFONH-QRBZPYHOSA-N 1 0 326.396 3.495 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+]CCOCC(F)(F)C(F)F)cc1[N+](=O)[O-] ZINC000189861850 237328349 /nfs/dbraw/zinc/32/83/49/237328349.db2.gz GIGJRFROJVNVKW-SNVBAGLBSA-N 1 0 338.301 3.471 20 5 EGBDRO C[C@H](O)[C@](C)(C[NH2+]Cc1csc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000191709208 239258747 /nfs/dbraw/zinc/25/87/47/239258747.db2.gz DWNBHCZDPGTIFG-GUYCJALGSA-N 1 0 334.441 3.376 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000353922146 241801257 /nfs/dbraw/zinc/80/12/57/241801257.db2.gz OLEAUNPCYBVEHA-GUYCJALGSA-N 1 0 346.431 3.248 20 5 EGBDRO Cc1c(C(=O)N(CC[NH+](C)C)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000247971012 291490640 /nfs/dbraw/zinc/49/06/40/291490640.db2.gz HPUXJTROXPVIKV-UHFFFAOYSA-N 1 0 341.411 3.107 20 5 EGBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](C3CC3)CC2)cc1OC(F)F ZINC000266128345 248115934 /nfs/dbraw/zinc/11/59/34/248115934.db2.gz CEBZUVRCUDWGQG-UHFFFAOYSA-N 1 0 327.331 3.235 20 5 EGBDRO COc1cc(C[N@H+](C)[C@H](C)CCSC)c([N+](=O)[O-])cc1OC ZINC000093558758 218231620 /nfs/dbraw/zinc/23/16/20/218231620.db2.gz BAOXWSRDTIWCMC-LLVKDONJSA-N 1 0 328.434 3.185 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1 ZINC000007378909 210789686 /nfs/dbraw/zinc/78/96/86/210789686.db2.gz KKZHBDXHZAKLDD-STQMWFEESA-N 1 0 343.383 3.281 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCCOC[C@@H]1CCCO1)C1CC1 ZINC000268740250 252190154 /nfs/dbraw/zinc/19/01/54/252190154.db2.gz PQFJSUCXDVAKFN-ROUUACIJSA-N 1 0 348.443 3.091 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1ccc(CN2C[C@H]3CCC[NH2+][C@H]3C2)o1 ZINC000353717849 285159477 /nfs/dbraw/zinc/15/94/77/285159477.db2.gz ZETLCCWCDKWBDW-CJNGLKHVSA-N 1 0 327.384 3.039 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCOC4(CCC4)C3)o2)c1 ZINC000154199308 224217041 /nfs/dbraw/zinc/21/70/41/224217041.db2.gz WOJVORNRROFICU-UHFFFAOYSA-N 1 0 343.383 3.047 20 5 EGBDRO C[C@@H](c1ccncc1)[NH+]1CCC(Nc2ncccc2[N+](=O)[O-])CC1 ZINC000119256019 221277624 /nfs/dbraw/zinc/27/76/24/221277624.db2.gz QPTNNDJEUFBHNP-ZDUSSCGKSA-N 1 0 327.388 3.022 20 5 EGBDRO C[C@@H](NC(=O)c1csc([N+](=O)[O-])c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000187237192 533317361 /nfs/dbraw/zinc/31/73/61/533317361.db2.gz LZLADYVSFGIDPK-ABAIWWIYSA-N 1 0 333.413 3.078 20 5 EGBDRO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])s1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181498589 533292227 /nfs/dbraw/zinc/29/22/27/533292227.db2.gz GLHPCQCELMZUHW-VXGBXAGGSA-N 1 0 337.445 3.039 20 5 EGBDRO C[C@@H]([NH2+]CC(C)(C)N1C[C@@H](C)O[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000246927889 141043795 /nfs/dbraw/zinc/04/37/95/141043795.db2.gz GWWPHUHAEWKJLV-QLFBSQMISA-N 1 0 335.448 3.133 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]Cc1ccccc1Cn1cncn1 ZINC000337818587 141061349 /nfs/dbraw/zinc/06/13/49/141061349.db2.gz QDUXEMRIOMMQPF-WEVVVXLNSA-N 1 0 349.394 3.038 20 5 EGBDRO COc1ccc(C[N@@H+]2CC[C@]3(C2)OCc2ccccc23)cc1[N+](=O)[O-] ZINC000186443654 144134093 /nfs/dbraw/zinc/13/40/93/144134093.db2.gz KHPDHFBENVUQTR-LJQANCHMSA-N 1 0 340.379 3.235 20 5 EGBDRO CN1CCC[C@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1=O ZINC000344620961 144200807 /nfs/dbraw/zinc/20/08/07/144200807.db2.gz ZMQOLEHDVRXWBO-AWEZNQCLSA-N 1 0 345.424 3.034 20 5 EGBDRO CC(C)CC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000351492414 144269453 /nfs/dbraw/zinc/26/94/53/144269453.db2.gz KBWGMOGBEKENJI-CZUORRHYSA-N 1 0 333.432 3.388 20 5 EGBDRO COCC1(CC[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCC1 ZINC000340442558 292230176 /nfs/dbraw/zinc/23/01/76/292230176.db2.gz AYQGDBRNXAVMBH-LSDHHAIUSA-N 1 0 336.436 3.071 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+](CC1CC1)CC1CC1 ZINC000115563340 152018596 /nfs/dbraw/zinc/01/85/96/152018596.db2.gz GMJPHQNPWYSCAS-UHFFFAOYSA-N 1 0 331.416 3.354 20 5 EGBDRO Cc1ccc(C[NH2+]C[C@]2(O)CCC[C@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000189634692 153086504 /nfs/dbraw/zinc/08/65/04/153086504.db2.gz AYMHPIJORPQURC-ZFWWWQNUSA-N 1 0 346.349 3.476 20 5 EGBDRO COc1cc(C[N@@H+]2CCC[C@]2(CO)CC(C)C)c([N+](=O)[O-])cc1F ZINC000191672217 153215064 /nfs/dbraw/zinc/21/50/64/153215064.db2.gz IKPWUGNVPPJADZ-QGZVFWFLSA-N 1 0 340.395 3.116 20 5 EGBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000195334593 153398268 /nfs/dbraw/zinc/39/82/68/153398268.db2.gz DHWWSPGRCVRFDA-MRXNPFEDSA-N 1 0 343.431 3.369 20 5 EGBDRO Cc1cc(C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000195692208 153415386 /nfs/dbraw/zinc/41/53/86/153415386.db2.gz OHDVKNWOOTWFGC-GJZGRUSLSA-N 1 0 333.432 3.001 20 5 EGBDRO C[NH+](C)CCN(Cc1ccc(F)cc1)Cc1cccc([N+](=O)[O-])c1 ZINC000349077831 156344083 /nfs/dbraw/zinc/34/40/83/156344083.db2.gz QHMGJRHMMDBCIZ-UHFFFAOYSA-N 1 0 331.391 3.298 20 5 EGBDRO CC[C@@](C)(O)C[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000111384488 162154474 /nfs/dbraw/zinc/15/44/74/162154474.db2.gz KNYJTEVSEYOKID-QGZVFWFLSA-N 1 0 334.372 3.114 20 5 EGBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC1CC[NH+](C2CCCC2)CC1 ZINC000177440466 162634609 /nfs/dbraw/zinc/63/46/09/162634609.db2.gz MSRRDVLNZAQTME-JXMROGBWSA-N 1 0 343.427 3.131 20 5 EGBDRO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000338343512 163216673 /nfs/dbraw/zinc/21/66/73/163216673.db2.gz BLHLHIOCFWRBBK-UHFFFAOYSA-N 1 0 341.411 3.235 20 5 EGBDRO C[NH+](C)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000338759880 163341232 /nfs/dbraw/zinc/34/12/32/163341232.db2.gz XNEYKPJWSALDNU-MRXNPFEDSA-N 1 0 347.802 3.281 20 5 EGBDRO CCOC(=O)C[C@@H](C)[N@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000339084566 163460766 /nfs/dbraw/zinc/46/07/66/163460766.db2.gz QNIPHVWMRLNKDE-SNVBAGLBSA-N 1 0 348.321 3.387 20 5 EGBDRO C[C@H]([NH2+][C@H](CC(=O)N(C)C)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000343909658 164064271 /nfs/dbraw/zinc/06/42/71/164064271.db2.gz AEOQYKAHHXRADN-KBXCAEBGSA-N 1 0 341.411 3.465 20 5 EGBDRO COc1ccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1NC(C)=O ZINC000343915446 164064961 /nfs/dbraw/zinc/06/49/61/164064961.db2.gz OZLDVFMBRCTRRX-LBPRGKRZSA-N 1 0 343.383 3.413 20 5 EGBDRO Cc1ccc([C@@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)[NH+](C)C)cc1 ZINC000344212819 164128274 /nfs/dbraw/zinc/12/82/74/164128274.db2.gz OAIUETKWOPCMRN-QGZVFWFLSA-N 1 0 345.374 3.075 20 5 EGBDRO COc1ccc(-c2ccc(C[NH2+]C[C@](C)(O)C3CC3)o2)c([N+](=O)[O-])c1 ZINC000344403504 164170749 /nfs/dbraw/zinc/17/07/49/164170749.db2.gz CBGUZZQVAJZCHV-SFHVURJKSA-N 1 0 346.383 3.114 20 5 EGBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000344586283 164193951 /nfs/dbraw/zinc/19/39/51/164193951.db2.gz RLWHWAVHONRMMD-NUJGCVRESA-N 1 0 347.459 3.311 20 5 EGBDRO C[N@H+](CCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000346017197 164318530 /nfs/dbraw/zinc/31/85/30/164318530.db2.gz TWGYVFUMWWEQBA-UHFFFAOYSA-N 1 0 347.802 3.110 20 5 EGBDRO COc1cc(C[N@@H+]2CCC[C@H](c3nccs3)C2)ccc1[N+](=O)[O-] ZINC000352407551 165385236 /nfs/dbraw/zinc/38/52/36/165385236.db2.gz VGRJJDBFNKLPAG-ZDUSSCGKSA-N 1 0 333.413 3.440 20 5 EGBDRO Cn1ccnc1[C@H]([NH2+]C[C@@H]1CC=CCC1)c1cccc([N+](=O)[O-])c1 ZINC000353501999 165784078 /nfs/dbraw/zinc/78/40/78/165784078.db2.gz JZYGLQSKMBAYDU-RHSMWYFYSA-N 1 0 326.400 3.364 20 5 EGBDRO CC(C)[NH+](CCN(C)c1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(C)C ZINC000355578189 166249017 /nfs/dbraw/zinc/24/90/17/166249017.db2.gz AWVHNXYJKVYJIY-UHFFFAOYSA-N 1 0 347.419 3.200 20 5 EGBDRO Cc1c(NC(=O)N(C)CC[NH+](C(C)C)C(C)C)cccc1[N+](=O)[O-] ZINC000356526484 166440876 /nfs/dbraw/zinc/44/08/76/166440876.db2.gz LGWYYDXEDUBIDI-UHFFFAOYSA-N 1 0 336.436 3.486 20 5 EGBDRO CCC1(CC)[C@H]([NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@@H]1OC ZINC000359429674 167154005 /nfs/dbraw/zinc/15/40/05/167154005.db2.gz RBHCZJZQRIVATJ-MAZHCROVSA-N 1 0 349.431 3.105 20 5 EGBDRO CC[C@H](C)[NH2+][C@H](CNC(=O)c1cccc(C)c1[N+](=O)[O-])c1ccco1 ZINC000359550257 167189609 /nfs/dbraw/zinc/18/96/09/167189609.db2.gz XOPMFXRNKUJCKU-DZGCQCFKSA-N 1 0 345.399 3.355 20 5 EGBDRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1C)c1ccco1 ZINC000359555658 167191756 /nfs/dbraw/zinc/19/17/56/167191756.db2.gz KYGWIXAGXKKYEI-CJNGLKHVSA-N 1 0 345.399 3.355 20 5 EGBDRO CO[C@]1(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCOC1 ZINC000359665771 167206114 /nfs/dbraw/zinc/20/61/14/167206114.db2.gz XRPAKGBYZOKFJF-KRWDZBQOSA-N 1 0 348.424 3.218 20 5 EGBDRO Cc1cccc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000362389640 167745834 /nfs/dbraw/zinc/74/58/34/167745834.db2.gz CCWATTUFHTVGJL-UHFFFAOYSA-N 1 0 327.384 3.342 20 5 EGBDRO CCc1ccccc1CC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365126562 168025440 /nfs/dbraw/zinc/02/54/40/168025440.db2.gz SSSYMDCBDMSGMA-UHFFFAOYSA-N 1 0 328.416 3.233 20 5 EGBDRO CCOc1cc(C[NH+]2CCC(c3cn[nH]c3)CC2)ccc1[N+](=O)[O-] ZINC000365190494 168032962 /nfs/dbraw/zinc/03/29/62/168032962.db2.gz OMJMNBFWQDFJIP-UHFFFAOYSA-N 1 0 330.388 3.096 20 5 EGBDRO CC(=O)c1ccc(N[C@H]2CN(C)Cc3ccccc32)c([N+](=O)[O-])c1 ZINC000366755314 168135596 /nfs/dbraw/zinc/13/55/96/168135596.db2.gz AEWKYZKFDHYCIL-KRWDZBQOSA-N 1 0 325.368 3.396 20 5 EGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CO)Cc1ccccc1 ZINC000158210139 224970086 /nfs/dbraw/zinc/97/00/86/224970086.db2.gz GNRCQVMDUVXXCC-CRAIPNDOSA-N 1 0 328.412 3.109 20 5 EGBDRO Cc1ccc([C@@H]2CCCCC[N@@H+]2CCn2cc([N+](=O)[O-])ccc2=O)o1 ZINC000159844017 225288642 /nfs/dbraw/zinc/28/86/42/225288642.db2.gz UFHPVZDABLGGRM-INIZCTEOSA-N 1 0 345.399 3.275 20 5 EGBDRO Cc1cc(C(=O)N(CC(C)C)C2CC[NH+](C)CC2)cc([N+](=O)[O-])c1 ZINC000123186306 222231679 /nfs/dbraw/zinc/23/16/79/222231679.db2.gz VENIYXGRFSPUQK-UHFFFAOYSA-N 1 0 333.432 3.096 20 5 EGBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000175620096 265126373 /nfs/dbraw/zinc/12/63/73/265126373.db2.gz WYIIYDYLEYFJJF-GDBMZVCRSA-N 1 0 348.447 3.002 20 5 EGBDRO Cc1ccc([C@@H](C)NC(=O)N[C@@H](C)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000175787352 265137927 /nfs/dbraw/zinc/13/79/27/265137927.db2.gz UKKFMNOKACKKEX-LSDHHAIUSA-N 1 0 348.447 3.138 20 5 EGBDRO Cc1cc(C(=O)NCC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000195694598 266189598 /nfs/dbraw/zinc/18/95/98/266189598.db2.gz QXKKHWFXOIGOPU-GJZGRUSLSA-N 1 0 347.459 3.390 20 5 EGBDRO Cc1c(CC(=O)Nc2ccc(C[NH+](C)C)cc2)cccc1[N+](=O)[O-] ZINC000269591917 266321903 /nfs/dbraw/zinc/32/19/03/266321903.db2.gz DWCCTAVYYSHRKL-UHFFFAOYSA-N 1 0 327.384 3.146 20 5 EGBDRO CCC[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000269649268 266333961 /nfs/dbraw/zinc/33/39/61/266333961.db2.gz MABMZXQIFWIWFP-XMTFNYHQSA-N 1 0 348.443 3.154 20 5 EGBDRO Cc1ccccc1[C@@H]1CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269672259 266337108 /nfs/dbraw/zinc/33/71/08/266337108.db2.gz VBGBZNSAUAQEIX-VQIMIIECSA-N 1 0 326.396 3.426 20 5 EGBDRO COc1ccc(C)cc1[C@@H](C)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269675836 266339829 /nfs/dbraw/zinc/33/98/29/266339829.db2.gz CCJPDZJAIZKFEP-CXAGYDPISA-N 1 0 330.384 3.296 20 5 EGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCCn1cccn1 ZINC000271061811 266598126 /nfs/dbraw/zinc/59/81/26/266598126.db2.gz CCHLBSAYDLRQGO-CQSZACIVSA-N 1 0 334.445 3.342 20 5 EGBDRO CCOc1cccc(N2CC[C@H](C3CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000273845859 267123614 /nfs/dbraw/zinc/12/36/14/267123614.db2.gz IUUMXRDYMDJJLT-HNNXBMFYSA-N 1 0 333.432 3.162 20 5 EGBDRO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)[C@]12CCCO2 ZINC000274242975 267204093 /nfs/dbraw/zinc/20/40/93/267204093.db2.gz RAADKQMQBDHJFV-BVPBIZIASA-N 1 0 334.416 3.280 20 5 EGBDRO C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)Cc1cccs1 ZINC000275470173 267366095 /nfs/dbraw/zinc/36/60/95/267366095.db2.gz LPIHXPKVQLBJCX-UHFFFAOYSA-N 1 0 337.376 3.256 20 5 EGBDRO C[NH+](C)[C@H]1CCCN(c2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000277226493 267730163 /nfs/dbraw/zinc/73/01/63/267730163.db2.gz SINCYMXJRGZEPS-LBPRGKRZSA-N 1 0 342.237 3.278 20 5 EGBDRO C[NH+]1CCC(CCNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000278381543 268001037 /nfs/dbraw/zinc/00/10/37/268001037.db2.gz LRGYGWOYRSDKEQ-UHFFFAOYSA-N 1 0 332.326 3.152 20 5 EGBDRO COCC1(CNc2ccc([N+](=O)[O-])cc2C(F)(F)F)CC[NH2+]CC1 ZINC000261777633 274018066 /nfs/dbraw/zinc/01/80/66/274018066.db2.gz XNPSMUYGJMBMOT-UHFFFAOYSA-N 1 0 347.337 3.042 20 5 EGBDRO COCc1cc([N+](=O)[O-])ccc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000267003182 274053197 /nfs/dbraw/zinc/05/31/97/274053197.db2.gz GATIMJQWSZIJQE-UHFFFAOYSA-N 1 0 333.432 3.196 20 5 EGBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCCC(F)(F)F ZINC000268923475 274206426 /nfs/dbraw/zinc/20/64/26/274206426.db2.gz KPGGUQUNUURUCX-JTQLQIEISA-N 1 0 333.310 3.244 20 5 EGBDRO O=C([C@@H]1CC[N@@H+](C2CCCCC2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000177612326 275005400 /nfs/dbraw/zinc/00/54/00/275005400.db2.gz RWBUESBQCQBHMD-OAHLLOKOSA-N 1 0 343.427 3.139 20 5 EGBDRO O=C([C@H]1CC[N@@H+](C2CCCCC2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000177612342 275008693 /nfs/dbraw/zinc/00/86/93/275008693.db2.gz RWBUESBQCQBHMD-HNNXBMFYSA-N 1 0 343.427 3.139 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[N@H+](C[C@H]2CCCO2)[C@H]2CCSC2)cc1 ZINC000245861148 275035181 /nfs/dbraw/zinc/03/51/81/275035181.db2.gz KVFFBHHWCBSJAE-DLBZAZTESA-N 1 0 336.457 3.124 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1cccc3c1OCO3)CCC2 ZINC000192713208 275037937 /nfs/dbraw/zinc/03/79/37/275037937.db2.gz RKPSPSSGXBZJTG-INIZCTEOSA-N 1 0 326.352 3.491 20 5 EGBDRO O=[N+]([O-])c1ccccc1OCC[NH+]1CCC(c2ccncc2)CC1 ZINC000191663045 275040206 /nfs/dbraw/zinc/04/02/06/275040206.db2.gz BQUIRGIVYBRHKX-UHFFFAOYSA-N 1 0 327.384 3.248 20 5 EGBDRO Cc1ccc([C@H](CNC(=O)c2ccc(C)c([N+](=O)[O-])c2)[NH+](C)C)cc1 ZINC000010017917 275119213 /nfs/dbraw/zinc/11/92/13/275119213.db2.gz ZMYBLLYRHBWJDM-SFHVURJKSA-N 1 0 341.411 3.244 20 5 EGBDRO CCOc1cc(C[N@@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)ccc1[N+](=O)[O-] ZINC000276898969 275253909 /nfs/dbraw/zinc/25/39/09/275253909.db2.gz LJDVGZPAWZJEQS-WMLDXEAASA-N 1 0 344.415 3.273 20 5 EGBDRO COC[C@H]([NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000278746008 275271008 /nfs/dbraw/zinc/27/10/08/275271008.db2.gz JXWUQOJRZWQBQQ-VYCZESIESA-N 1 0 348.443 3.090 20 5 EGBDRO C[C@@](O)(C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C(F)(F)F ZINC000279086717 275302676 /nfs/dbraw/zinc/30/26/76/275302676.db2.gz NCPBOOSNRVLBKX-TZMCWYRMSA-N 1 0 332.322 3.220 20 5 EGBDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@@H](C)c3cccc([N+](=O)[O-])c3C)[C@H]2C1 ZINC000343925760 275474091 /nfs/dbraw/zinc/47/40/91/275474091.db2.gz IJOSVELCTWNGLR-IKICRFKJSA-N 1 0 345.443 3.201 20 5 EGBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1c1ccc2ncccc2c1[N+](=O)[O-] ZINC000286221296 275966137 /nfs/dbraw/zinc/96/61/37/275966137.db2.gz DAMRSQZNRCSHMQ-UONOGXRCSA-N 1 0 326.400 3.206 20 5 EGBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1c1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000286483172 276006003 /nfs/dbraw/zinc/00/60/03/276006003.db2.gz WURNVNKBUKTJBP-XJKSGUPXSA-N 1 0 326.400 3.206 20 5 EGBDRO CCOc1cc(CN2CC[C@H]([NH+]3CCCC3)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000286785261 276043288 /nfs/dbraw/zinc/04/32/88/276043288.db2.gz HRYOCDDYAHVYRN-HOCLYGCPSA-N 1 0 333.432 3.052 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000287018169 276071444 /nfs/dbraw/zinc/07/14/44/276071444.db2.gz DYLGGASAMJMEPU-YIONKMFJSA-N 1 0 346.431 3.301 20 5 EGBDRO CC(C)c1ccc(C(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000287315298 276107340 /nfs/dbraw/zinc/10/73/40/276107340.db2.gz UUOAUPNBTZREMU-YOEHRIQHSA-N 1 0 345.443 3.417 20 5 EGBDRO O=[N+]([O-])c1cc2c(ncnc2N2CCC[N@@H+](C3CCCC3)CC2)s1 ZINC000287347071 276110637 /nfs/dbraw/zinc/11/06/37/276110637.db2.gz PFMKAPIBJZLUMV-UHFFFAOYSA-N 1 0 347.444 3.054 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000289146167 276296669 /nfs/dbraw/zinc/29/66/69/276296669.db2.gz UVXSARJIZBFDEY-ZBFHGGJFSA-N 1 0 346.431 3.302 20 5 EGBDRO CN(Cc1cnc(Br)s1)Cc1ccccc1[N+](=O)[O-] ZINC000289457253 276341782 /nfs/dbraw/zinc/34/17/82/276341782.db2.gz XWKPQZBXZBLSFX-UHFFFAOYSA-N 1 0 342.218 3.446 20 5 EGBDRO CC(C)C[NH+]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000289528613 276353232 /nfs/dbraw/zinc/35/32/32/276353232.db2.gz CVIOTCZDUWTBLJ-UHFFFAOYSA-N 1 0 340.811 3.054 20 5 EGBDRO CC(C)[C@H]([NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])c1nncn1C ZINC000289569902 276359425 /nfs/dbraw/zinc/35/94/25/276359425.db2.gz SJWLQBOWMRDLCC-BBRMVZONSA-N 1 0 331.420 3.031 20 5 EGBDRO C[C@H]([NH2+]C[C@]1(CO)C[C@@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000289600429 276364469 /nfs/dbraw/zinc/36/44/69/276364469.db2.gz CPPUFKQHUUMCAM-KYNGSXCRSA-N 1 0 326.396 3.412 20 5 EGBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000289629512 276368856 /nfs/dbraw/zinc/36/88/56/276368856.db2.gz RVNXRULYNSZVCG-IAGOWNOFSA-N 1 0 332.400 3.007 20 5 EGBDRO CCc1ccc([C@@H]2C[NH2+]CCN2C(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000261936765 276690624 /nfs/dbraw/zinc/69/06/24/276690624.db2.gz KBCWIPCXENAYRA-AWEZNQCLSA-N 1 0 345.424 3.005 20 5 EGBDRO CC(C)c1ccc(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000190063382 278032010 /nfs/dbraw/zinc/03/20/10/278032010.db2.gz OUVDJAXLWHQWRP-TZMCWYRMSA-N 1 0 331.416 3.073 20 5 EGBDRO Cc1n[nH]cc1CCC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000133032908 533690642 /nfs/dbraw/zinc/69/06/42/533690642.db2.gz FWRHUXNCBYLEQD-KRWDZBQOSA-N 1 0 328.416 3.170 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N(CC[NH+](C)C)c1ccccc1 ZINC000058296543 307348271 /nfs/dbraw/zinc/34/82/71/307348271.db2.gz MKJDLLUHDILCAX-UHFFFAOYSA-N 1 0 327.384 3.112 20 5 EGBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCN(CC(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000125809229 307559962 /nfs/dbraw/zinc/55/99/62/307559962.db2.gz QFCRVSJMOQZVRD-NWDGAFQWSA-N 1 0 331.338 3.190 20 5 EGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccn(CC)n1 ZINC000414211420 309067076 /nfs/dbraw/zinc/06/70/76/309067076.db2.gz QFEWLRHPYQCGMQ-CYBMUJFWSA-N 1 0 334.445 3.472 20 5 EGBDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000255660631 308056937 /nfs/dbraw/zinc/05/69/37/308056937.db2.gz QTKXAAORKBJKDD-WIDZWVOGSA-N 1 0 333.432 3.235 20 5 EGBDRO CCC[C@H](C)C(=O)NCC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000293032473 308091972 /nfs/dbraw/zinc/09/19/72/308091972.db2.gz AEFAGXXDQFWZDK-GUYCJALGSA-N 1 0 333.432 3.114 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[NH+]2CCC(CO)(c3ccccc3)CC2)cc1 ZINC000293183283 308107014 /nfs/dbraw/zinc/10/70/14/308107014.db2.gz DTLPJSDLHQSVOX-UHFFFAOYSA-N 1 0 340.423 3.163 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CCCO[C@H](CF)C3)o2)c1 ZINC000414475168 309082910 /nfs/dbraw/zinc/08/29/10/309082910.db2.gz GBJGRRKRWKBPSJ-MRXNPFEDSA-N 1 0 334.347 3.415 20 5 EGBDRO C[N@H+](CCc1cnccn1)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293685556 308152673 /nfs/dbraw/zinc/15/26/73/308152673.db2.gz BJXCFIBUYKBFGL-UHFFFAOYSA-N 1 0 340.305 3.078 20 5 EGBDRO CCC[C@@H]([NH2+]CC1(COC)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000293725297 308156423 /nfs/dbraw/zinc/15/64/23/308156423.db2.gz PUPGCMHXEFDVDC-QGZVFWFLSA-N 1 0 336.432 3.469 20 5 EGBDRO C[C@@H](CCCNC(=O)OC(C)(C)C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000295179748 308300093 /nfs/dbraw/zinc/30/00/93/308300093.db2.gz VMKCVJQDRRAMLN-NSHDSACASA-N 1 0 343.449 3.439 20 5 EGBDRO O=[N+]([O-])c1cccc(CN(Cc2cnn(CC(F)F)c2)C2CC2)c1 ZINC000295356035 308317711 /nfs/dbraw/zinc/31/77/11/308317711.db2.gz NKTDUYGLMZROMD-UHFFFAOYSA-N 1 0 336.342 3.221 20 5 EGBDRO CCN(CCC[NH+]1CCCC1)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000295583364 308340677 /nfs/dbraw/zinc/34/06/77/308340677.db2.gz ZSWJFELQGCJSFA-UHFFFAOYSA-N 1 0 339.823 3.196 20 5 EGBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000295679463 308350026 /nfs/dbraw/zinc/35/00/26/308350026.db2.gz KUUZSOHPAWHHMJ-ABAIWWIYSA-N 1 0 339.823 3.114 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2ccc(CN3CCC[C@H]4C[NH2+]C[C@H]43)o2)c1 ZINC000414771906 309099954 /nfs/dbraw/zinc/09/99/54/309099954.db2.gz ARXHBYUKMIHCHS-WMLDXEAASA-N 1 0 327.384 3.039 20 5 EGBDRO Cc1cc(NCCOC[C@@H]2CCCO2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302204495 308733305 /nfs/dbraw/zinc/73/33/05/308733305.db2.gz WKAHAQKWOFSSBS-AWEZNQCLSA-N 1 0 331.372 3.059 20 5 EGBDRO C[C@@H]1CCC[C@@H](C)C1[NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000331713314 308815146 /nfs/dbraw/zinc/81/51/46/308815146.db2.gz MAXPFGJXXNSUGO-CHWSQXEVSA-N 1 0 347.415 3.307 20 5 EGBDRO O=C(CC[NH2+]C1(c2ccc(F)cc2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000411364758 308935715 /nfs/dbraw/zinc/93/57/15/308935715.db2.gz GLGNZOWOVXFELW-UHFFFAOYSA-N 1 0 343.358 3.341 20 5 EGBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2c2ccc([N+](=O)[O-])c3ncccc23)C1 ZINC000413192387 309020609 /nfs/dbraw/zinc/02/06/09/309020609.db2.gz IQDMLFFQTKNRDW-UKRRQHHQSA-N 1 0 326.400 3.064 20 5 EGBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1Nc1ncc([N+](=O)[O-])cc1F ZINC000413238341 309023059 /nfs/dbraw/zinc/02/30/59/309023059.db2.gz SSTUPUXSNQVHKJ-BLLLJJGKSA-N 1 0 330.363 3.061 20 5 EGBDRO C[C@@H]1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@H]1C[NH3+] ZINC000415128459 309122353 /nfs/dbraw/zinc/12/23/53/309122353.db2.gz NYJWRSWRLIKHQU-TZMCWYRMSA-N 1 0 346.456 3.135 20 5 EGBDRO CCCN(C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)C1CC[NH2+]CC1 ZINC000415291128 309129986 /nfs/dbraw/zinc/12/99/86/309129986.db2.gz FLIUGQANYDHSJO-UHFFFAOYSA-N 1 0 334.420 3.208 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000415760090 309143283 /nfs/dbraw/zinc/14/32/83/309143283.db2.gz JRTIRTYYGZLURQ-JOCQHMNTSA-N 1 0 334.420 3.044 20 5 EGBDRO [NH3+]Cc1ccc(NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000415973328 309152208 /nfs/dbraw/zinc/15/22/08/309152208.db2.gz JPUGFMRFVZYTBT-UHFFFAOYSA-N 1 0 342.399 3.198 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@H]1CCc3c[nH]nc3C1)CCCC2 ZINC000417308280 309201128 /nfs/dbraw/zinc/20/11/28/309201128.db2.gz HVWOYXDUGWUNAG-YOEHRIQHSA-N 1 0 326.400 3.233 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCCO[C@H]1CCOC1)CCCC2 ZINC000417310203 309201192 /nfs/dbraw/zinc/20/11/92/309201192.db2.gz JRVXLXBVGFXFBA-WMZOPIPTSA-N 1 0 334.416 3.148 20 5 EGBDRO CC(C)c1ccc(C[NH2+][C@@H]2CCN(CC(F)F)C2)cc1[N+](=O)[O-] ZINC000418135479 309237185 /nfs/dbraw/zinc/23/71/85/309237185.db2.gz PLYWQFLHYZKPQU-CYBMUJFWSA-N 1 0 327.375 3.147 20 5 EGBDRO CC[C@@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)[C@H]1CC1(C)C ZINC000419315389 309264379 /nfs/dbraw/zinc/26/43/79/309264379.db2.gz JTBZJWMXRBCHGG-ZIAGYGMSSA-N 1 0 349.431 3.346 20 5 EGBDRO CC[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@H]1CC1(C)C ZINC000419317431 309264382 /nfs/dbraw/zinc/26/43/82/309264382.db2.gz MTYGUGIFFBBLJY-KGLIPLIRSA-N 1 0 349.431 3.346 20 5 EGBDRO [NH3+][C@@H]1CCC[C@@H](CNc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)C1 ZINC000420291961 309279608 /nfs/dbraw/zinc/27/96/08/309279608.db2.gz WASMRXNYUFYXSY-DGCLKSJQSA-N 1 0 332.429 3.070 20 5 EGBDRO CC[C@@H]1C[NH+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@@H](CC)O1 ZINC000420958580 309304250 /nfs/dbraw/zinc/30/42/50/309304250.db2.gz PJXKLNDMUUMUHA-HUUCEWRRSA-N 1 0 349.431 3.121 20 5 EGBDRO CC[C@@H]1C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@H](CC)O1 ZINC000420960096 309304349 /nfs/dbraw/zinc/30/43/49/309304349.db2.gz RAUOFXHROFIBBS-IYBDPMFKSA-N 1 0 349.431 3.121 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000421737169 309337723 /nfs/dbraw/zinc/33/77/23/309337723.db2.gz IKELLVBTNRTEIU-UHFFFAOYSA-N 1 0 333.432 3.206 20 5 EGBDRO CCN(CCC[NH+](CC)CC)C(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000421876009 309344734 /nfs/dbraw/zinc/34/47/34/309344734.db2.gz QXXRDRRORKTDBB-UHFFFAOYSA-N 1 0 335.448 3.406 20 5 EGBDRO CCC[C@H]([NH2+]C[C@H]1CC(=O)N(CCC)C1)c1cccc([N+](=O)[O-])c1 ZINC000421879470 309344808 /nfs/dbraw/zinc/34/48/08/309344808.db2.gz NFDPPHUDUQKREA-PBHICJAKSA-N 1 0 333.432 3.284 20 5 EGBDRO CCc1ccc([C@@H](NC[C@@H]2CCC[NH2+]C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000423205657 309390293 /nfs/dbraw/zinc/39/02/93/309390293.db2.gz FJTOKYXYEWRXOO-KUHUBIRLSA-N 1 0 343.427 3.429 20 5 EGBDRO CCc1ccccc1[C@H](N)C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000423517123 309404298 /nfs/dbraw/zinc/40/42/98/309404298.db2.gz YORNETTVBMTEKO-KBXCAEBGSA-N 1 0 327.428 3.378 20 5 EGBDRO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000430813981 309618322 /nfs/dbraw/zinc/61/83/22/309618322.db2.gz HGAVIHYVPIAXNC-DLBZAZTESA-N 1 0 347.459 3.154 20 5 EGBDRO CC1(C)C[C@H]([NH2+]CCn2cnnc2C2CC2)c2cc([N+](=O)[O-])ccc21 ZINC000433284608 309684744 /nfs/dbraw/zinc/68/47/44/309684744.db2.gz QXQCSIHAAWMSHC-INIZCTEOSA-N 1 0 341.415 3.076 20 5 EGBDRO C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1COc2ccccc21 ZINC000444674018 309925202 /nfs/dbraw/zinc/92/52/02/309925202.db2.gz JHQMJLOCTDGXAK-BXUZGUMPSA-N 1 0 338.367 3.125 20 5 EGBDRO Cc1ccccc1[C@@H](CC(F)(F)F)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000444776745 309929826 /nfs/dbraw/zinc/92/98/26/309929826.db2.gz CZNFSWUKLFAMHD-CQSZACIVSA-N 1 0 342.321 3.383 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H](CC(F)(F)F)C(C)C ZINC000445902677 309951318 /nfs/dbraw/zinc/95/13/18/309951318.db2.gz GDQGQWSTFIORNX-LLVKDONJSA-N 1 0 347.337 3.408 20 5 EGBDRO CN(C)c1cccc(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000447542181 309981520 /nfs/dbraw/zinc/98/15/20/309981520.db2.gz OMXPWAITWZJLBS-IAGOWNOFSA-N 1 0 343.431 3.131 20 5 EGBDRO Cc1csc([C@H](C)C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000447591876 309983545 /nfs/dbraw/zinc/98/35/45/309983545.db2.gz JDRLHDWLKVBNEG-MRVWCRGKSA-N 1 0 349.460 3.433 20 5 EGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](Cc1ccccc1)N(C)C ZINC000449061247 310033857 /nfs/dbraw/zinc/03/38/57/310033857.db2.gz IASXKDPZADYPHQ-LPHOPBHVSA-N 1 0 341.455 3.288 20 5 EGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CN(C)C)c1ccccc1 ZINC000449067914 310034326 /nfs/dbraw/zinc/03/43/26/310034326.db2.gz PBXBRNCQFXMSSC-YJBOKZPZSA-N 1 0 327.428 3.418 20 5 EGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](Cc1ccccc1)CN(C)C ZINC000449087181 310035953 /nfs/dbraw/zinc/03/59/53/310035953.db2.gz UTBIQSNSZGOSAZ-APWZRJJASA-N 1 0 341.455 3.288 20 5 EGBDRO COc1cccc(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])c1OC ZINC000449090399 310036327 /nfs/dbraw/zinc/03/63/27/310036327.db2.gz NRWDXOVHFGQCSK-ZDUSSCGKSA-N 1 0 330.384 3.333 20 5 EGBDRO COc1ccc(CC[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000449104904 310037288 /nfs/dbraw/zinc/03/72/88/310037288.db2.gz GUWMDWJUJAPWSB-CQSZACIVSA-N 1 0 344.411 3.375 20 5 EGBDRO COC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449171424 310042130 /nfs/dbraw/zinc/04/21/30/310042130.db2.gz ADOLOQVGLHZSMR-MAUKXSAKSA-N 1 0 328.412 3.373 20 5 EGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCc1cnc(C2CC2)nc1 ZINC000449208028 310044624 /nfs/dbraw/zinc/04/46/24/310044624.db2.gz OXJPTJBOCSSMEH-ZDUSSCGKSA-N 1 0 326.400 3.026 20 5 EGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)[C@@H](O)Cc1ccccc1 ZINC000449214908 310045202 /nfs/dbraw/zinc/04/52/02/310045202.db2.gz YWCSTZVCPIDEIZ-VCBZYWHSSA-N 1 0 328.412 3.108 20 5 EGBDRO CC(C)n1ncc2c1C[C@@H]([NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])CC2 ZINC000449279883 310049604 /nfs/dbraw/zinc/04/96/04/310049604.db2.gz UIBGLAKCSIUBIV-PBHICJAKSA-N 1 0 342.443 3.450 20 5 EGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCOCC(F)(F)C(F)F ZINC000449286144 310050307 /nfs/dbraw/zinc/05/03/07/310050307.db2.gz UKCMVPORGTXZJT-JTQLQIEISA-N 1 0 338.301 3.032 20 5 EGBDRO COC1(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CCCC1 ZINC000449348726 310055764 /nfs/dbraw/zinc/05/57/64/310055764.db2.gz UYXODSFEWRPLAE-UHFFFAOYSA-N 1 0 330.331 3.245 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](Cc3cnc4cnccn34)C2)cc1 ZINC000449499602 310067218 /nfs/dbraw/zinc/06/72/18/310067218.db2.gz MJGDYVKCXSXHTH-HNNXBMFYSA-N 1 0 337.383 3.017 20 5 EGBDRO Cc1cc(C)c(C[NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)cn1 ZINC000449732916 310083163 /nfs/dbraw/zinc/08/31/63/310083163.db2.gz FHZQRUPDDFAYET-AWEZNQCLSA-N 1 0 342.399 3.114 20 5 EGBDRO CC[NH+]1CCC(Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CC1 ZINC000450224881 310109557 /nfs/dbraw/zinc/10/95/57/310109557.db2.gz DKRYREUVDWCSAC-UHFFFAOYSA-N 1 0 332.429 3.036 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2csc(N[C@H]3CC[N@@H+]4CCC[C@H]4C3)n2)cc1 ZINC000450252656 310111258 /nfs/dbraw/zinc/11/12/58/310111258.db2.gz JJLZIDZZEAXKBS-ZFWWWQNUSA-N 1 0 344.440 3.179 20 5 EGBDRO O=[N+]([O-])c1cccc2c1ccnc2N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000450258750 310111478 /nfs/dbraw/zinc/11/14/78/310111478.db2.gz BZELSAUTBMMJSE-CQSZACIVSA-N 1 0 326.400 3.208 20 5 EGBDRO COc1cc(C[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)c([N+](=O)[O-])cc1F ZINC000451474833 310180185 /nfs/dbraw/zinc/18/01/85/310180185.db2.gz BMGBXGLVTRGKRT-IUIKQTSFSA-N 1 0 338.379 3.036 20 5 EGBDRO CCOc1cc(C[NH2+][C@H]2C[C@@H](OCC)C23CCC3)ccc1[N+](=O)[O-] ZINC000451483370 310180698 /nfs/dbraw/zinc/18/06/98/310180698.db2.gz VNGUVXLRTUTUJD-DLBZAZTESA-N 1 0 334.416 3.431 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000451505204 310181672 /nfs/dbraw/zinc/18/16/72/310181672.db2.gz SPFBPVFUBKZQJD-CGTJXYLNSA-N 1 0 346.427 3.429 20 5 EGBDRO C[C@@H]1CCCN1C(=O)CC[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451546354 310184706 /nfs/dbraw/zinc/18/47/06/310184706.db2.gz IZGSWMKYNQQZIX-WBVHZDCISA-N 1 0 345.443 3.175 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC[C@]2(CCSC2)C1 ZINC000451971616 310206025 /nfs/dbraw/zinc/20/60/25/310206025.db2.gz MBACVFRGQPRSHD-KRWDZBQOSA-N 1 0 349.456 3.061 20 5 EGBDRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000452346997 310224389 /nfs/dbraw/zinc/22/43/89/310224389.db2.gz YHWZJIKUAAZRMB-KRWDZBQOSA-N 1 0 347.459 3.154 20 5 EGBDRO CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452834587 310244501 /nfs/dbraw/zinc/24/45/01/310244501.db2.gz BNBNGFZLYZMFQN-HOCLYGCPSA-N 1 0 347.459 3.468 20 5 EGBDRO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452846641 310245235 /nfs/dbraw/zinc/24/52/35/310245235.db2.gz KHCKPCVBKFUSNG-SJLPKXTDSA-N 1 0 345.443 3.175 20 5 EGBDRO COc1ccc2c(c1)C[C@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])CO2 ZINC000453166514 310261871 /nfs/dbraw/zinc/26/18/71/310261871.db2.gz QRVGYIAZWFZBIP-OCCSQVGLSA-N 1 0 328.368 3.258 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cccnc2C)cc1[N+](=O)[O-] ZINC000453417537 310276025 /nfs/dbraw/zinc/27/60/25/310276025.db2.gz CBIONHBZQWKJEN-OCCSQVGLSA-N 1 0 342.399 3.284 20 5 EGBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CCOC(C)(C)C1 ZINC000453433443 310277039 /nfs/dbraw/zinc/27/70/39/310277039.db2.gz SNCMYFSMFIITMG-ZIAGYGMSSA-N 1 0 349.431 3.107 20 5 EGBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1CCOC(C)(C)C1 ZINC000453445291 310277537 /nfs/dbraw/zinc/27/75/37/310277537.db2.gz YHPRNTSGWUARCN-UONOGXRCSA-N 1 0 349.431 3.107 20 5 EGBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000454350416 310304796 /nfs/dbraw/zinc/30/47/96/310304796.db2.gz CIZUCGSEOIXDNL-GFCCVEGCSA-N 1 0 340.811 3.195 20 5 EGBDRO Cc1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2F)ccc1C[NH+](C)C ZINC000458269129 310495396 /nfs/dbraw/zinc/49/53/96/310495396.db2.gz HCICJUURYGOLMM-UHFFFAOYSA-N 1 0 345.374 3.285 20 5 EGBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H]1CCCCC12CCCC2 ZINC000463449561 310612950 /nfs/dbraw/zinc/61/29/50/310612950.db2.gz LBQOKPNEJMFQIY-QAPCUYQASA-N 1 0 348.443 3.427 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](O)Cc1ccccc1 ZINC000468643784 310691552 /nfs/dbraw/zinc/69/15/52/310691552.db2.gz TWHODYIQGAQVPJ-DQXUBXGMSA-N 1 0 326.396 3.191 20 5 EGBDRO COC(=O)[C@@H]1CC12CC[NH+](C/C(C)=C\c1cccc([N+](=O)[O-])c1)CC2 ZINC000470177647 310719525 /nfs/dbraw/zinc/71/95/25/310719525.db2.gz SSNCRTWLWLLUQH-QXSWTLKVSA-N 1 0 344.411 3.273 20 5 EGBDRO CCOC(=O)C1(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC000473056066 310772019 /nfs/dbraw/zinc/77/20/19/310772019.db2.gz FJWVBHMTBNYTFX-GDBMZVCRSA-N 1 0 346.427 3.239 20 5 EGBDRO CCOC(=O)c1cc(NCC(C)(C)C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000478054638 310854164 /nfs/dbraw/zinc/85/41/64/310854164.db2.gz SSCIUGYWLSZDLO-UHFFFAOYSA-N 1 0 349.431 3.305 20 5 EGBDRO CC[C@H](NC(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000487425806 311022933 /nfs/dbraw/zinc/02/29/33/311022933.db2.gz CMVXQQYWRFJKGZ-DLBZAZTESA-N 1 0 348.447 3.028 20 5 EGBDRO O=[N+]([O-])c1cnc2ccccc2c1N1CCC([NH+]2CCCC2)CC1 ZINC000488044399 311049060 /nfs/dbraw/zinc/04/90/60/311049060.db2.gz BCQMDNQAVVLEMI-UHFFFAOYSA-N 1 0 326.400 3.208 20 5 EGBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(c2ccc3ncccc3c2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488723988 311076738 /nfs/dbraw/zinc/07/67/38/311076738.db2.gz BIZJIXBVBIYWPD-QWQRMKEZSA-N 1 0 340.427 3.310 20 5 EGBDRO CCOc1cccc(N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000488752375 311078388 /nfs/dbraw/zinc/07/83/88/311078388.db2.gz KLCCADDBJJLFQR-IJEWVQPXSA-N 1 0 333.432 3.160 20 5 EGBDRO CCc1ccc(CC[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000489009020 311089135 /nfs/dbraw/zinc/08/91/35/311089135.db2.gz KBPXPZHXMZUOCA-UHFFFAOYSA-N 1 0 328.416 3.233 20 5 EGBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000491334817 311174202 /nfs/dbraw/zinc/17/42/02/311174202.db2.gz MGMDOJUYEKKCAA-TWGQIWQCSA-N 1 0 343.427 3.085 20 5 EGBDRO C[NH+](C)Cc1ccccc1NC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000492882993 311302792 /nfs/dbraw/zinc/30/27/92/311302792.db2.gz AKDJDIXVDANHED-NTMALXAHSA-N 1 0 343.358 3.447 20 5 EGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCc2c[nH]nc2C1 ZINC000504920011 312012315 /nfs/dbraw/zinc/01/23/15/312012315.db2.gz MIUWNYNYNIAHNQ-UONOGXRCSA-N 1 0 346.456 3.336 20 5 EGBDRO CC[C@@H](C)[C@H](O)C[NH2+][C@H](CC)CSc1ccccc1[N+](=O)[O-] ZINC000504911111 312012452 /nfs/dbraw/zinc/01/24/52/312012452.db2.gz ANMKAAYEBOSICC-UMVBOHGHSA-N 1 0 326.462 3.462 20 5 EGBDRO CC(C)(CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000506748369 312053666 /nfs/dbraw/zinc/05/36/66/312053666.db2.gz SJJGSWOAVXZATF-UHFFFAOYSA-N 1 0 347.459 3.111 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@@H](n3ncc4ccccc43)C2)cc1 ZINC000510437043 312140594 /nfs/dbraw/zinc/14/05/94/312140594.db2.gz CLNJIVRVLZFEJH-GOSISDBHSA-N 1 0 336.395 3.434 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(N2CCOC[C@@H]2C)CC1 ZINC000514837219 312248075 /nfs/dbraw/zinc/24/80/75/312248075.db2.gz OAAAQAHFBNMFPQ-JKSUJKDBSA-N 1 0 347.459 3.149 20 5 EGBDRO O=[N+]([O-])c1cccc(N2CC[NH+](CCCOc3ccccc3)CC2)c1 ZINC000515135140 312267471 /nfs/dbraw/zinc/26/74/71/312267471.db2.gz RVKWSIJCMVXHFR-UHFFFAOYSA-N 1 0 341.411 3.186 20 5 EGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]Cc2noc3ccccc32)n1 ZINC000515498097 312286067 /nfs/dbraw/zinc/28/60/67/312286067.db2.gz DSAYBKKOCRVQON-UKRRQHHQSA-N 1 0 341.371 3.206 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCOC3(CCOCC3)C1)CCC2 ZINC000516240190 312316503 /nfs/dbraw/zinc/31/65/03/312316503.db2.gz CQYQVBWWKCKFTM-QAPCUYQASA-N 1 0 346.427 3.290 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H](N3CCCC3=O)C2)cc1[N+](=O)[O-] ZINC000517246684 312371672 /nfs/dbraw/zinc/37/16/72/312371672.db2.gz FBFDYBJXIFNULA-UAGQMJEPSA-N 1 0 345.443 3.487 20 5 EGBDRO CO[C@]1(C)C[C@@H]([NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000531984238 313739741 /nfs/dbraw/zinc/73/97/41/313739741.db2.gz QSNGJAZORXWRKD-CDHAZOANSA-N 1 0 349.431 3.105 20 5 EGBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H](CO)Cc2ccco2)cc1[N+](=O)[O-] ZINC000536625657 314132064 /nfs/dbraw/zinc/13/20/64/314132064.db2.gz LYHGPCDUGRRHPD-KGLIPLIRSA-N 1 0 348.399 3.088 20 5 EGBDRO C[C@H](CCO)C[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000537310118 314173867 /nfs/dbraw/zinc/17/38/67/314173867.db2.gz DLRIFAHYVBZGKU-OAHLLOKOSA-N 1 0 343.427 3.471 20 5 EGBDRO CCC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000548488203 315016267 /nfs/dbraw/zinc/01/62/67/315016267.db2.gz ZPDQASGNNZITDV-UKRRQHHQSA-N 1 0 349.431 3.490 20 5 EGBDRO CCCC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCC[C@@H](C)C1 ZINC000550379835 315126447 /nfs/dbraw/zinc/12/64/47/315126447.db2.gz FJYUIXNPSXFAAB-HZPDHXFCSA-N 1 0 335.448 3.437 20 5 EGBDRO Cc1c(C[NH2+]C2(c3ccc4c(c3)OCO4)CC2)cccc1[N+](=O)[O-] ZINC000553385854 315261229 /nfs/dbraw/zinc/26/12/29/315261229.db2.gz CVDSIZVCFSFDLG-UHFFFAOYSA-N 1 0 326.352 3.411 20 5 EGBDRO CCN(CC[NH+]1CCCCCC1)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000554273557 315306122 /nfs/dbraw/zinc/30/61/22/315306122.db2.gz MXSNZAKGDYOZRJ-UHFFFAOYSA-N 1 0 335.448 3.301 20 5 EGBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC=C(c3ccccn3)C2)cc1 ZINC000563364849 316007943 /nfs/dbraw/zinc/00/79/43/316007943.db2.gz QUEGBPMKAXCLLV-UHFFFAOYSA-N 1 0 325.368 3.158 20 5 EGBDRO C[C@H]1CCC[C@@]1(O)C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000563978781 316100073 /nfs/dbraw/zinc/10/00/73/316100073.db2.gz MRQSWAZKGKDQSK-SCLBCKFNSA-N 1 0 330.384 3.496 20 5 EGBDRO CCCN(CC[NH+]1CCCCCC1)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000564496228 316158886 /nfs/dbraw/zinc/15/88/86/316158886.db2.gz IXEGNYIPKPJIKU-UHFFFAOYSA-N 1 0 347.459 3.252 20 5 EGBDRO COC1(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CCC(C)CC1 ZINC000565358470 316313996 /nfs/dbraw/zinc/31/39/96/316313996.db2.gz CMFPVMDBZNLFMM-UHFFFAOYSA-N 1 0 349.431 3.108 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H](CO)c1cccc(F)c1)CCC2 ZINC000566745179 316521340 /nfs/dbraw/zinc/52/13/40/316521340.db2.gz FUCRSENGTFHYMA-MSOLQXFVSA-N 1 0 330.359 3.435 20 5 EGBDRO CC[NH+]1CCC(CNc2ncc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000571741075 317240088 /nfs/dbraw/zinc/24/00/88/317240088.db2.gz NBIRDIOVYILCEA-UHFFFAOYSA-N 1 0 332.326 3.152 20 5 EGBDRO CC[NH+]1CCC(CNC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000573884728 317538351 /nfs/dbraw/zinc/53/83/51/317538351.db2.gz XTFQVPGDGUJZPG-UHFFFAOYSA-N 1 0 334.420 3.065 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1CCCC[C@@H]1C ZINC000192800452 323826489 /nfs/dbraw/zinc/82/64/89/323826489.db2.gz IUXJKZTWNQSTOW-GXTWGEPZSA-N 1 0 335.404 3.100 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C ZINC000192803721 323826727 /nfs/dbraw/zinc/82/67/27/323826727.db2.gz BZRBOKYDWNRUSJ-UMVBOHGHSA-N 1 0 349.431 3.346 20 5 EGBDRO C[C@@H]1[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCN1Cc1ccccc1 ZINC000380041785 324243213 /nfs/dbraw/zinc/24/32/13/324243213.db2.gz SBIIBTROYVRIFR-DNVCBOLYSA-N 1 0 325.412 3.347 20 5 EGBDRO CC[C@H](C)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000309716919 456576102 /nfs/dbraw/zinc/57/61/02/456576102.db2.gz UEERKBKMNNLAJB-QMMMGPOBSA-N 1 0 334.157 3.088 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]1[C@H]1CCCOC1 ZINC000579118575 325065638 /nfs/dbraw/zinc/06/56/38/325065638.db2.gz CYLPPULIODJJBT-YOEHRIQHSA-N 1 0 334.416 3.385 20 5 EGBDRO C[NH+](C)C[C@@H](CNc1ncccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000579482479 325116470 /nfs/dbraw/zinc/11/64/70/325116470.db2.gz UVVKYXJSHBQSML-CYBMUJFWSA-N 1 0 334.807 3.401 20 5 EGBDRO C[NH+](C)Cc1ccccc1NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000579574472 325129370 /nfs/dbraw/zinc/12/93/70/325129370.db2.gz HDBABCLHFVHRKZ-UHFFFAOYSA-N 1 0 338.367 3.390 20 5 EGBDRO CC(C)(C)[N@@H+]1CCCN(c2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000580035579 325191887 /nfs/dbraw/zinc/19/18/87/325191887.db2.gz PYCUZFRGQYSUQC-UHFFFAOYSA-N 1 0 328.416 3.454 20 5 EGBDRO C[C@H]([NH2+][C@@H]1CCC[C@H](N2CCCC2=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000580659468 325280306 /nfs/dbraw/zinc/28/03/06/325280306.db2.gz JHKKCJOTSNHYCF-IMJJTQAJSA-N 1 0 331.416 3.179 20 5 EGBDRO O=C(CC[NH2+]C1CCC(F)(F)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000581879559 325395600 /nfs/dbraw/zinc/39/56/00/325395600.db2.gz OVDLSSAWFROHSJ-UHFFFAOYSA-N 1 0 327.331 3.091 20 5 EGBDRO C[NH+](C)CCC1CCN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000583038306 325490337 /nfs/dbraw/zinc/49/03/37/325490337.db2.gz MHZYQQXMMTVEPM-UHFFFAOYSA-N 1 0 347.459 3.063 20 5 EGBDRO C[C@@H]([NH2+][C@@H](C)C1CCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000157734314 455225622 /nfs/dbraw/zinc/22/56/22/455225622.db2.gz OCCCWURLTXZYKW-VHSXEESVSA-N 1 0 325.796 3.353 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCn2ccnc2)s1 ZINC000237956107 455237352 /nfs/dbraw/zinc/23/73/52/455237352.db2.gz GHFOAWRBZQPUAY-UHFFFAOYSA-N 1 0 328.397 3.310 20 5 EGBDRO CC[NH+](CC)[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000010448391 453291118 /nfs/dbraw/zinc/29/11/18/453291118.db2.gz CORDFWYIXMLBRO-SFHVURJKSA-N 1 0 341.411 3.408 20 5 EGBDRO C[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1CCCCC1 ZINC000016445622 453607849 /nfs/dbraw/zinc/60/78/49/453607849.db2.gz KSZMKJNRVNKJHW-UHFFFAOYSA-N 1 0 325.796 3.451 20 5 EGBDRO CC[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000030144607 453834085 /nfs/dbraw/zinc/83/40/85/453834085.db2.gz HTUMYLTUQCLBOQ-CYBMUJFWSA-N 1 0 335.404 3.054 20 5 EGBDRO CC(C)C[NH+]1CCC(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000067265333 453915361 /nfs/dbraw/zinc/91/53/61/453915361.db2.gz UXBAUOHBAKASGQ-UHFFFAOYSA-N 1 0 339.823 3.098 20 5 EGBDRO Cc1ccccc1C[N@@H+]1CCCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000075669599 453915843 /nfs/dbraw/zinc/91/58/43/453915843.db2.gz IXNORHBRJGGXSR-UHFFFAOYSA-N 1 0 326.400 3.011 20 5 EGBDRO CC(C)[N@H+](C)Cc1cccc(CNC(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000068271259 454013079 /nfs/dbraw/zinc/01/30/79/454013079.db2.gz DTMFNEPXCBOLJC-UHFFFAOYSA-N 1 0 341.411 3.365 20 5 EGBDRO O=[N+]([O-])c1ccc(OCCCN2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000056494705 454061683 /nfs/dbraw/zinc/06/16/83/454061683.db2.gz AUXOSQJAJRDXEC-UHFFFAOYSA-N 1 0 347.459 3.314 20 5 EGBDRO C[C@@H]1CCC[C@](CNC(=O)CCc2cccc([N+](=O)[O-])c2)([NH+](C)C)C1 ZINC000087167372 454067137 /nfs/dbraw/zinc/06/71/37/454067137.db2.gz YMRDGEJGQIKQTJ-BEFAXECRSA-N 1 0 347.459 3.154 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1CN1CCC[C@H]1C[NH+]1CCCCC1 ZINC000069077830 454077669 /nfs/dbraw/zinc/07/76/69/454077669.db2.gz SQBIGDQZSHDROE-KRWDZBQOSA-N 1 0 333.432 3.054 20 5 EGBDRO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000265876515 455397222 /nfs/dbraw/zinc/39/72/22/455397222.db2.gz XBVLALNUBHKQJD-XJKSGUPXSA-N 1 0 349.431 3.330 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](C)C[C@H]1C ZINC000077319911 454089990 /nfs/dbraw/zinc/08/99/90/454089990.db2.gz YSBROUMTJXZVHC-CHWSQXEVSA-N 1 0 335.404 3.052 20 5 EGBDRO CC(C)[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1CCC1 ZINC000077358850 454096319 /nfs/dbraw/zinc/09/63/19/454096319.db2.gz NQCWLMRYMCZAFR-UHFFFAOYSA-N 1 0 325.796 3.450 20 5 EGBDRO CCOC[C@@H]1CC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000089907907 454231737 /nfs/dbraw/zinc/23/17/37/454231737.db2.gz NSIFHKWLVOSOPI-CYBMUJFWSA-N 1 0 331.372 3.108 20 5 EGBDRO C[C@@H]([NH2+][C@@H](CO)Cc1c[nH]c2ccccc12)c1ccc([N+](=O)[O-])cc1 ZINC000095968082 454242554 /nfs/dbraw/zinc/24/25/54/454242554.db2.gz KLHYEFPMIDSMDH-CZUORRHYSA-N 1 0 339.395 3.330 20 5 EGBDRO CCC[C@@H]([NH2+]CCn1cnnc1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000090031769 454264680 /nfs/dbraw/zinc/26/46/80/454264680.db2.gz YFQUHOVMQNCGIJ-MRXNPFEDSA-N 1 0 329.404 3.195 20 5 EGBDRO CC[NH+](CC)C[C@H]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)C1 ZINC000078559791 454275024 /nfs/dbraw/zinc/27/50/24/454275024.db2.gz VSQSQSQBHLGYJC-CQSZACIVSA-N 1 0 328.416 3.311 20 5 EGBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CC(=O)N(C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000090177974 454289610 /nfs/dbraw/zinc/28/96/10/454289610.db2.gz CGXKRSSOLJNMQN-JSGCOSHPSA-N 1 0 349.431 3.044 20 5 EGBDRO Cc1cnc(N(C)C2CC[NH+](Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000078663328 454294176 /nfs/dbraw/zinc/29/41/76/454294176.db2.gz CMIDOZJTGUHDNO-UHFFFAOYSA-N 1 0 340.427 3.399 20 5 EGBDRO CC(C)(C)[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccccc1 ZINC000090553254 454321109 /nfs/dbraw/zinc/32/11/09/454321109.db2.gz JVXCZLJJQAWIPK-KRWDZBQOSA-N 1 0 329.400 3.134 20 5 EGBDRO Cc1cccc(C(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000047214234 454341124 /nfs/dbraw/zinc/34/11/24/454341124.db2.gz GPXOCGKDSJHWIS-GJZGRUSLSA-N 1 0 347.459 3.391 20 5 EGBDRO O=C(CC[N@@H+]1CCc2ccsc2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000132552861 454347590 /nfs/dbraw/zinc/34/75/90/454347590.db2.gz JNWZAEHKPAOBNJ-UHFFFAOYSA-N 1 0 331.397 3.043 20 5 EGBDRO CC[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CCS1 ZINC000072861513 454352953 /nfs/dbraw/zinc/35/29/53/454352953.db2.gz PEASEWXWFGRYEB-CQSZACIVSA-N 1 0 337.445 3.059 20 5 EGBDRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000047287039 454353500 /nfs/dbraw/zinc/35/35/00/454353500.db2.gz UYFYRJDIJOXEKB-UONOGXRCSA-N 1 0 345.424 3.166 20 5 EGBDRO CCC[C@H]1CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000120995353 454375035 /nfs/dbraw/zinc/37/50/35/454375035.db2.gz IRQJLWLMHDSJNG-AWEZNQCLSA-N 1 0 349.431 3.444 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000132959623 454380736 /nfs/dbraw/zinc/38/07/36/454380736.db2.gz NRRPRLAWJFIVBN-CVEARBPZSA-N 1 0 347.459 3.055 20 5 EGBDRO CC[C@H](CSC)[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000091097411 454383161 /nfs/dbraw/zinc/38/31/61/454383161.db2.gz VUFJCSFLHMGAME-CYBMUJFWSA-N 1 0 339.461 3.305 20 5 EGBDRO CC[C@@H](CSC)[N@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000091097449 454383316 /nfs/dbraw/zinc/38/33/16/454383316.db2.gz VTHHVOGDOXEQRL-NSHDSACASA-N 1 0 345.852 3.260 20 5 EGBDRO CC[C@@H](CSC)[N@H+](C)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000091099148 454385089 /nfs/dbraw/zinc/38/50/89/454385089.db2.gz VZCZSLAIRHRHMM-LBPRGKRZSA-N 1 0 328.434 3.056 20 5 EGBDRO CC[NH+](CC)[C@@H](CNc1ccc([N+](=O)[O-])cn1)c1cccc(OC)c1 ZINC000073109523 454396456 /nfs/dbraw/zinc/39/64/56/454396456.db2.gz FZGSYYFFUJFQMT-KRWDZBQOSA-N 1 0 344.415 3.493 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000063582132 454425415 /nfs/dbraw/zinc/42/54/15/454425415.db2.gz ADJNFFFITGTZBS-UXLLHSPISA-N 1 0 345.443 3.381 20 5 EGBDRO Cc1ccc(CN(CC[NH+](C)C)C(=O)Nc2cccc([N+](=O)[O-])c2)o1 ZINC000048050761 454435500 /nfs/dbraw/zinc/43/55/00/454435500.db2.gz KZZQLVIKCRWIKO-UHFFFAOYSA-N 1 0 346.387 3.092 20 5 EGBDRO C[NH+](C)[C@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000048050739 454435727 /nfs/dbraw/zinc/43/57/27/454435727.db2.gz KJKIVANAISIXKQ-MRXNPFEDSA-N 1 0 346.362 3.158 20 5 EGBDRO CC[NH+](CC)[C@@H](CNc1nc2sccn2c1[N+](=O)[O-])c1ccco1 ZINC000064114339 454467293 /nfs/dbraw/zinc/46/72/93/454467293.db2.gz UDCDCAAQMBMDDA-NSHDSACASA-N 1 0 349.416 3.392 20 5 EGBDRO O=C(Nc1ccc(-n2ccnc2)c(Cl)c1)c1ccc([N+](=O)[O-])o1 ZINC000101821472 454485472 /nfs/dbraw/zinc/48/54/72/454485472.db2.gz PMNJZIKNZRRPCA-UHFFFAOYSA-N 1 0 332.703 3.279 20 5 EGBDRO Cc1ccc(C(=O)N2CCC[C@@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)cc1[N+](=O)[O-] ZINC000064725647 454501062 /nfs/dbraw/zinc/50/10/62/454501062.db2.gz CQCXPXBLGJUPTC-HLLBOEOZSA-N 1 0 345.443 3.381 20 5 EGBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000064725832 454501174 /nfs/dbraw/zinc/50/11/74/454501174.db2.gz NPAIMLYVWNYIRL-QLFBSQMISA-N 1 0 331.416 3.072 20 5 EGBDRO CCC1(O)CC[NH+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000266746953 455447781 /nfs/dbraw/zinc/44/77/81/455447781.db2.gz OXCAKUQPRVTKOJ-UHFFFAOYSA-N 1 0 345.399 3.029 20 5 EGBDRO Cc1cc(NCc2ccccc2OCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000092627303 454597209 /nfs/dbraw/zinc/59/72/09/454597209.db2.gz LGMWTJADZKPAJF-UHFFFAOYSA-N 1 0 329.400 3.456 20 5 EGBDRO Cc1cc(N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000080606025 454605415 /nfs/dbraw/zinc/60/54/15/454605415.db2.gz JDJKINKTQCHQEI-QGZVFWFLSA-N 1 0 340.427 3.257 20 5 EGBDRO CN(C(=O)C[N@@H+]1CC[C@H](c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000123393903 454631983 /nfs/dbraw/zinc/63/19/83/454631983.db2.gz UDTHXBMPQWJFJT-INIZCTEOSA-N 1 0 339.395 3.047 20 5 EGBDRO COc1ccccc1OCC[N@H+](C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000052452598 454674625 /nfs/dbraw/zinc/67/46/25/454674625.db2.gz PHEZANBLZPICNN-UHFFFAOYSA-N 1 0 346.383 3.123 20 5 EGBDRO Cn1ncc2c1CCC[C@@H]2[N@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000135615928 454694708 /nfs/dbraw/zinc/69/47/08/454694708.db2.gz QTEHKPQCZWATDH-KRWDZBQOSA-N 1 0 344.415 3.107 20 5 EGBDRO CC(C)n1cc([C@H](C)[NH2+]CCCOc2ccc([N+](=O)[O-])cc2)cn1 ZINC000612517453 460646212 /nfs/dbraw/zinc/64/62/12/460646212.db2.gz APPQWEOYYZWWQY-AWEZNQCLSA-N 1 0 332.404 3.492 20 5 EGBDRO COc1cc(N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)ccc1[N+](=O)[O-] ZINC000161931471 454738112 /nfs/dbraw/zinc/73/81/12/454738112.db2.gz RKMOIWCNLGKCPA-CJNGLKHVSA-N 1 0 331.416 3.057 20 5 EGBDRO Cc1c(CC(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000162501873 454779276 /nfs/dbraw/zinc/77/92/76/454779276.db2.gz VHWPSGLUCKGWFF-KUHUBIRLSA-N 1 0 347.459 3.072 20 5 EGBDRO CCCC[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C1CCC1 ZINC000184882741 455466102 /nfs/dbraw/zinc/46/61/02/455466102.db2.gz UMULVNPGLBTUGY-HNNXBMFYSA-N 1 0 349.431 3.490 20 5 EGBDRO CCc1ccc(C(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)cc1[N+](=O)[O-] ZINC000163628717 454859254 /nfs/dbraw/zinc/85/92/54/454859254.db2.gz BRCHYUMHLSLULD-HNNXBMFYSA-N 1 0 347.459 3.255 20 5 EGBDRO C[N@H+](CCNC(=O)c1c(Cl)cccc1[N+](=O)[O-])Cc1ccccc1 ZINC000112085328 454880176 /nfs/dbraw/zinc/88/01/76/454880176.db2.gz XDZJRZNDTOXQJS-UHFFFAOYSA-N 1 0 347.802 3.110 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[NH+]2CCC(OC[C@@H]3CCCCO3)CC2)cc1 ZINC000177581605 454880468 /nfs/dbraw/zinc/88/04/68/454880468.db2.gz NXLMHXDZDIBVCS-IBGZPJMESA-N 1 0 348.443 3.187 20 5 EGBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000177645905 454887375 /nfs/dbraw/zinc/88/73/75/454887375.db2.gz JHGXODQYOKYXNV-GFCCVEGCSA-N 1 0 339.823 3.052 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccnc2-n2cccn2)cc1[N+](=O)[O-] ZINC000177904508 454917596 /nfs/dbraw/zinc/91/75/96/454917596.db2.gz IQANLRMRDQMONH-CQSZACIVSA-N 1 0 337.383 3.335 20 5 EGBDRO Cc1c([C@@H](C)[NH2+]Cc2cccnc2-n2cccn2)cccc1[N+](=O)[O-] ZINC000177904912 454917759 /nfs/dbraw/zinc/91/77/59/454917759.db2.gz LKWZRLMQWFDGDV-CQSZACIVSA-N 1 0 337.383 3.335 20 5 EGBDRO CC[C@@H]([NH2+][C@H]1CCN(C(=O)C2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000126986852 454930394 /nfs/dbraw/zinc/93/03/94/454930394.db2.gz YEYMTOWGFGSACJ-FUHWJXTLSA-N 1 0 345.443 3.427 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@H]1CCO[C@]2(CCSC2)C1 ZINC000151352529 454973209 /nfs/dbraw/zinc/97/32/09/454973209.db2.gz XOXHWCPUMDQEAR-VFYPNZCPSA-N 1 0 334.441 3.252 20 5 EGBDRO CC(C)N(CC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000151952033 455053400 /nfs/dbraw/zinc/05/34/00/455053400.db2.gz YPWSNGCEUGHGGK-UHFFFAOYSA-N 1 0 347.337 3.026 20 5 EGBDRO C[C@@H](C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)[NH+]1CCCCCC1 ZINC000129559613 455116124 /nfs/dbraw/zinc/11/61/24/455116124.db2.gz YZMICEPAULUBKT-HNNXBMFYSA-N 1 0 345.443 3.350 20 5 EGBDRO C[NH+](C)[C@H]1CCCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000130152050 455144682 /nfs/dbraw/zinc/14/46/82/455144682.db2.gz HZFFBHZKQCOAQT-INIZCTEOSA-N 1 0 329.400 3.381 20 5 EGBDRO Cc1ccc(NC(=O)N2CCC[N@@H+](C3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000172438400 455154209 /nfs/dbraw/zinc/15/42/09/455154209.db2.gz LUNRXEZZAZCMJH-UHFFFAOYSA-N 1 0 346.431 3.385 20 5 EGBDRO COC(=O)c1cccc(OCC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000180429620 455168365 /nfs/dbraw/zinc/16/83/65/455168365.db2.gz ZTZNJTNMYKBLCL-CYBMUJFWSA-N 1 0 344.367 3.111 20 5 EGBDRO CC1(C)[C@@H]2C[N@@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C[C@@H]21 ZINC000172971782 455215106 /nfs/dbraw/zinc/21/51/06/455215106.db2.gz FTNNIFFZBNXTAM-GASCZTMLSA-N 1 0 327.384 3.380 20 5 EGBDRO CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000190431218 455315379 /nfs/dbraw/zinc/31/53/79/455315379.db2.gz NMHIPYLYKAAYHG-RDJZCZTQSA-N 1 0 344.415 3.130 20 5 EGBDRO CCc1ccc(C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000174177671 455367880 /nfs/dbraw/zinc/36/78/80/455367880.db2.gz IYEBIUHXZTUJHY-KRWDZBQOSA-N 1 0 345.443 3.248 20 5 EGBDRO COc1ccc([C@@H]2CCC[N@@H+]2C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000246272494 455460817 /nfs/dbraw/zinc/46/08/17/455460817.db2.gz MKLSXQTYRQTNBM-RBUKOAKNSA-N 1 0 342.395 3.474 20 5 EGBDRO CC[N@H+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000267172511 455511055 /nfs/dbraw/zinc/51/10/55/455511055.db2.gz ACRWKSOUGJMMBA-NSHDSACASA-N 1 0 331.338 3.392 20 5 EGBDRO C[C@@H]1C[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@H]2CCCC[C@H]12 ZINC000182470224 455520032 /nfs/dbraw/zinc/52/00/32/455520032.db2.gz CQWZDYFXDOFUIX-XYPHTWIQSA-N 1 0 331.416 3.068 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000192118227 455559792 /nfs/dbraw/zinc/55/97/92/455559792.db2.gz JSKKNHBMICNEKI-DOTOQJQBSA-N 1 0 334.322 3.493 20 5 EGBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H](C)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000182704233 455572136 /nfs/dbraw/zinc/57/21/36/455572136.db2.gz INMUWAJZENUWRI-ZDUSSCGKSA-N 1 0 349.431 3.490 20 5 EGBDRO Cc1ccc(C[NH+]2CCC(O)(c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000185636893 455588038 /nfs/dbraw/zinc/58/80/38/455588038.db2.gz KHZYHIIIQNUDIU-UHFFFAOYSA-N 1 0 326.396 3.387 20 5 EGBDRO O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1ccc([N+](=O)[O-])s1 ZINC000247323741 455588441 /nfs/dbraw/zinc/58/84/41/455588441.db2.gz MQWZXVQPYFWLIP-AWEZNQCLSA-N 1 0 345.424 3.223 20 5 EGBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@H]2c2ccccc2)c1 ZINC000247337642 455589203 /nfs/dbraw/zinc/58/92/03/455589203.db2.gz RGLZSROSVYYYIG-MJGOQNOKSA-N 1 0 342.395 3.172 20 5 EGBDRO C[C@@H]1C[N@H+](CCCNc2ccc3ncccc3c2[N+](=O)[O-])CCCO1 ZINC000277566388 455600243 /nfs/dbraw/zinc/60/02/43/455600243.db2.gz AUAVNMWVILFCPY-CQSZACIVSA-N 1 0 344.415 3.056 20 5 EGBDRO C[C@@H](c1cccc(O)c1)N(C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000283932422 455612973 /nfs/dbraw/zinc/61/29/73/455612973.db2.gz CRMPULCZSABTAA-NSHDSACASA-N 1 0 331.328 3.402 20 5 EGBDRO C/C=C/C[C@H](CO)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000185810760 455626657 /nfs/dbraw/zinc/62/66/57/455626657.db2.gz QXESGRJTIIZLIC-YWVDXFKGSA-N 1 0 333.413 3.135 20 5 EGBDRO CC(C)[C@@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CCO1 ZINC000271452772 455642766 /nfs/dbraw/zinc/64/27/66/455642766.db2.gz FBSIVBOQCGVVFL-DOMZBBRYSA-N 1 0 344.358 3.489 20 5 EGBDRO CC(C)(CCCO)C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000271509542 455664238 /nfs/dbraw/zinc/66/42/38/455664238.db2.gz LOUNFALQOZLZRS-UHFFFAOYSA-N 1 0 332.347 3.085 20 5 EGBDRO C[C@](O)(C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000271523337 455671712 /nfs/dbraw/zinc/67/17/12/455671712.db2.gz OSXBIQZWITWZSL-WHOFXGATSA-N 1 0 346.349 3.209 20 5 EGBDRO C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000277814138 455674733 /nfs/dbraw/zinc/67/47/33/455674733.db2.gz KRXGQSUVMDOBBH-BBRMVZONSA-N 1 0 349.431 3.330 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H](O)c1cccc(F)c1)CCC2 ZINC000192745090 455684111 /nfs/dbraw/zinc/68/41/11/455684111.db2.gz DQYSTEFIPDVDLF-MSOLQXFVSA-N 1 0 330.359 3.435 20 5 EGBDRO Cc1nc(N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)ccc1[N+](=O)[O-] ZINC000268535322 455708676 /nfs/dbraw/zinc/70/86/76/455708676.db2.gz YDYQFLBMUITSES-HOCLYGCPSA-N 1 0 332.448 3.389 20 5 EGBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H]1c1cccs1 ZINC000248374563 455708790 /nfs/dbraw/zinc/70/87/90/455708790.db2.gz RNPBVMHWPARIKI-HIFRSBDPSA-N 1 0 348.424 3.233 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)n1 ZINC000268849238 455716031 /nfs/dbraw/zinc/71/60/31/455716031.db2.gz XTSOYUFSJMUGGV-CVEARBPZSA-N 1 0 332.448 3.389 20 5 EGBDRO Nc1ccc([N+](=O)[O-])c(N2CCC(CCC[NH+]3CCCC3)CC2)c1 ZINC000193485715 455761377 /nfs/dbraw/zinc/76/13/77/455761377.db2.gz AVOTULTUIUJFGH-UHFFFAOYSA-N 1 0 332.448 3.269 20 5 EGBDRO C[C@@H](CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)[N@@H+]1CCC[C@@H](C)C1 ZINC000193958985 455788211 /nfs/dbraw/zinc/78/82/11/455788211.db2.gz JJRPWEGEHSJJEG-OLZOCXBDSA-N 1 0 346.431 3.012 20 5 EGBDRO C[C@@H](NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]C1 ZINC000269195026 455808744 /nfs/dbraw/zinc/80/87/44/455808744.db2.gz LJNYZRKLTPHHEW-TZMCWYRMSA-N 1 0 333.432 3.010 20 5 EGBDRO O=C(CC[N@@H+]1CCC=C(c2ccco2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000285385959 455834713 /nfs/dbraw/zinc/83/47/13/455834713.db2.gz SAAVOCVNRJHLTB-UHFFFAOYSA-N 1 0 341.367 3.306 20 5 EGBDRO Cc1ccc(C(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000187180096 455876944 /nfs/dbraw/zinc/87/69/44/455876944.db2.gz CLDZPFTUYNKENE-RDTXWAMCSA-N 1 0 341.411 3.324 20 5 EGBDRO CC1(C)[C@H]([NH2+]Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H]2CCO[C@@H]21 ZINC000296320076 455908997 /nfs/dbraw/zinc/90/89/97/455908997.db2.gz QFWFCTHSCIQBMP-XHSDSOJGSA-N 1 0 343.383 3.153 20 5 EGBDRO Cc1ccc(C(=O)N(C)CCC[N@H+](C)Cc2ccco2)cc1[N+](=O)[O-] ZINC000285798227 455918753 /nfs/dbraw/zinc/91/87/53/455918753.db2.gz MLAJNGZPHSGWRZ-UHFFFAOYSA-N 1 0 345.399 3.090 20 5 EGBDRO C[C@H](CO)CCC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000270319990 455928869 /nfs/dbraw/zinc/92/88/69/455928869.db2.gz XPAAYXJUNWYMGV-LBPRGKRZSA-N 1 0 335.429 3.217 20 5 EGBDRO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000272479682 455964970 /nfs/dbraw/zinc/96/49/70/455964970.db2.gz MBHGWEVUCMMTSR-UKRRQHHQSA-N 1 0 349.431 3.330 20 5 EGBDRO C[C@]1(C(N)=O)CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000280416713 455966830 /nfs/dbraw/zinc/96/68/30/455966830.db2.gz YYIHFNAQEZVBHE-KRWDZBQOSA-N 1 0 345.424 3.021 20 5 EGBDRO CC[C@@H](C)[NH+]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000296658209 456002992 /nfs/dbraw/zinc/00/29/92/456002992.db2.gz GCJZYMRLWYNIPR-LLVKDONJSA-N 1 0 340.811 3.196 20 5 EGBDRO Nc1ccc(NCCC[N@@H+]2CCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000286227012 456003820 /nfs/dbraw/zinc/00/38/20/456003820.db2.gz TWRQPAPWKRZWOL-UHFFFAOYSA-N 1 0 326.400 3.037 20 5 EGBDRO C[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000296682968 456009295 /nfs/dbraw/zinc/00/92/95/456009295.db2.gz IOKLZAQIQPMYFK-XGUBFFRZSA-N 1 0 333.432 3.138 20 5 EGBDRO CCCC[N@@H+]1CCCC[C@H]1CNc1ccc([N+](=O)[O-])cc1C(=O)NC ZINC000217150548 456031299 /nfs/dbraw/zinc/03/12/99/456031299.db2.gz LGFBZQJWVAUURR-HNNXBMFYSA-N 1 0 348.447 3.021 20 5 EGBDRO Cc1nn(C)c(C)c1CNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000272790547 456070898 /nfs/dbraw/zinc/07/08/98/456070898.db2.gz CEBOMXJKPWOIKF-UHFFFAOYSA-N 1 0 325.372 3.414 20 5 EGBDRO Cc1cc(N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000301424045 456112987 /nfs/dbraw/zinc/11/29/87/456112987.db2.gz GJHANTVZLCAGAZ-KRWDZBQOSA-N 1 0 340.427 3.399 20 5 EGBDRO O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000281032596 456114354 /nfs/dbraw/zinc/11/43/54/456114354.db2.gz QMMXEJCTAFTWDE-HNNXBMFYSA-N 1 0 331.416 3.122 20 5 EGBDRO O=C(C[N@@H+]1CCC[C@@H]2CCCC[C@H]21)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000230115479 456132285 /nfs/dbraw/zinc/13/22/85/456132285.db2.gz QPSBPVWORKUNRA-WMLDXEAASA-N 1 0 343.427 3.139 20 5 EGBDRO C[C@@H]([NH2+][C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000297206149 456148828 /nfs/dbraw/zinc/14/88/28/456148828.db2.gz GHPVCLKAASEVKG-FWYOQMDTSA-N 1 0 347.415 3.111 20 5 EGBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000271277616 456203028 /nfs/dbraw/zinc/20/30/28/456203028.db2.gz FRFGECMJERKMET-HZPDHXFCSA-N 1 0 332.448 3.389 20 5 EGBDRO Cc1nc(N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000297398268 456208959 /nfs/dbraw/zinc/20/89/59/456208959.db2.gz FORAFIOWLFHJNR-BBRMVZONSA-N 1 0 341.415 3.158 20 5 EGBDRO COCCC[NH+]1CCC(Nc2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000263782815 456221896 /nfs/dbraw/zinc/22/18/96/456221896.db2.gz MCBLKARWUGWRHM-UHFFFAOYSA-N 1 0 344.415 3.056 20 5 EGBDRO CN(CC[NH+]1CCCC1)c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000301858510 456235307 /nfs/dbraw/zinc/23/53/07/456235307.db2.gz JMXTWKMITKMOIR-UHFFFAOYSA-N 1 0 326.400 3.189 20 5 EGBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000297590163 456258504 /nfs/dbraw/zinc/25/85/04/456258504.db2.gz MQDCEJFOUJUQAX-UONOGXRCSA-N 1 0 348.447 3.028 20 5 EGBDRO O=[N+]([O-])c1ccsc1NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000302028166 456271427 /nfs/dbraw/zinc/27/14/27/456271427.db2.gz AUKOPJKGBBIUNA-OAHLLOKOSA-N 1 0 347.440 3.225 20 5 EGBDRO C[C@H](C[N@H+](C)Cc1ccccc1)Nc1nc2sccn2c1[N+](=O)[O-] ZINC000302041448 456273788 /nfs/dbraw/zinc/27/37/88/456273788.db2.gz WNCVNBGKGRXWOJ-GFCCVEGCSA-N 1 0 345.428 3.236 20 5 EGBDRO C[NH+]1CCC([C@H]2CCN(c3ccnc4ccc([N+](=O)[O-])cc43)C2)CC1 ZINC000601134901 460725377 /nfs/dbraw/zinc/72/53/77/460725377.db2.gz JISDIJAJTONJTO-HNNXBMFYSA-N 1 0 340.427 3.311 20 5 EGBDRO Cc1cc(NC[C@H](C)Cn2cccn2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302136862 456296682 /nfs/dbraw/zinc/29/66/82/456296682.db2.gz DKJAXYSXNJGOKL-LBPRGKRZSA-N 1 0 325.372 3.396 20 5 EGBDRO CC[C@H]1CN(c2ncc([N+](=O)[O-])cc2C)CC[N@@H+]1Cc1ccccc1 ZINC000302142907 456298238 /nfs/dbraw/zinc/29/82/38/456298238.db2.gz FZGSFYKAOSVURK-KRWDZBQOSA-N 1 0 340.427 3.399 20 5 EGBDRO C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@H]1CC[C@H](O)CC1 ZINC000275892905 456343046 /nfs/dbraw/zinc/34/30/46/456343046.db2.gz QLMGNIBNFZRMLT-KOMQPUFPSA-N 1 0 345.399 3.028 20 5 EGBDRO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@H]2C(C)C)c([N+](=O)[O-])c1 ZINC000298047565 456351775 /nfs/dbraw/zinc/35/17/75/456351775.db2.gz HMPJZSRHOCBBSS-HNNXBMFYSA-N 1 0 335.404 3.052 20 5 EGBDRO CCN(CCC[NH+](C)C)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000276185898 456407605 /nfs/dbraw/zinc/40/76/05/456407605.db2.gz HWHUZOSLPOGBSF-UHFFFAOYSA-N 1 0 347.337 3.027 20 5 EGBDRO CCN(CCC[NH+](C)C)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000276215496 456415390 /nfs/dbraw/zinc/41/53/90/456415390.db2.gz LSUZAZYKMNSMLJ-UHFFFAOYSA-N 1 0 335.429 3.223 20 5 EGBDRO C[C@H](CCNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)[NH+]1CCCCC1 ZINC000298542304 456485397 /nfs/dbraw/zinc/48/53/97/456485397.db2.gz YTEPUAZEHCTJDK-CABCVRRESA-N 1 0 348.447 3.220 20 5 EGBDRO O=[N+]([O-])c1ccc(OC2CCN(Cc3ccc(F)cn3)CC2)cc1 ZINC000276312008 456442569 /nfs/dbraw/zinc/44/25/69/456442569.db2.gz YPENIBYVXYTDFT-UHFFFAOYSA-N 1 0 331.347 3.172 20 5 EGBDRO CC[C@H](C)NC(=O)CC[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290849547 456446586 /nfs/dbraw/zinc/44/65/86/456446586.db2.gz JOOUCGIFTXKYGT-VIFPVBQESA-N 1 0 348.230 3.296 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000276414973 456474624 /nfs/dbraw/zinc/47/46/24/456474624.db2.gz MZEFMVSBMMSUPH-HNNXBMFYSA-N 1 0 348.447 3.311 20 5 EGBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000340500251 456495200 /nfs/dbraw/zinc/49/52/00/456495200.db2.gz QBHXTZYAQONJPX-BZPMIXESSA-N 1 0 337.445 3.134 20 5 EGBDRO C[C@@]1(CO)CCC[C@H]1[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000304316167 456505559 /nfs/dbraw/zinc/50/55/59/456505559.db2.gz LFIKBDAGTGHGRB-WBVHZDCISA-N 1 0 347.440 3.359 20 5 EGBDRO CO[C@H](C)c1nc(CN(C)CCc2cccc([N+](=O)[O-])c2)cs1 ZINC000282450334 456517622 /nfs/dbraw/zinc/51/76/22/456517622.db2.gz LSYBCWJSVGHXBH-GFCCVEGCSA-N 1 0 335.429 3.433 20 5 EGBDRO CC1(C)C[C@@H]([NH2+][C@@H]2CCC(=O)NC23CCC3)c2cc([N+](=O)[O-])ccc21 ZINC000282958096 456674833 /nfs/dbraw/zinc/67/48/33/456674833.db2.gz CJLFBJBVMDEOMH-HZPDHXFCSA-N 1 0 343.427 3.108 20 5 EGBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccccc1-n1ccnn1 ZINC000353504576 456720457 /nfs/dbraw/zinc/72/04/57/456720457.db2.gz RYOUNWXIMCDQNA-AWEZNQCLSA-N 1 0 337.383 3.069 20 5 EGBDRO COc1cc([C@@H](C)Nc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)ccn1 ZINC000340899631 456747778 /nfs/dbraw/zinc/74/77/78/456747778.db2.gz NYRJBVMAJXHWGR-GFCCVEGCSA-N 1 0 338.367 3.450 20 5 EGBDRO O=[N+]([O-])c1ccc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1F ZINC000283311514 456756632 /nfs/dbraw/zinc/75/66/32/456756632.db2.gz ZAOMKWDAQBHOGE-RHSMWYFYSA-N 1 0 333.407 3.183 20 5 EGBDRO Cc1cccc(C[N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)n1 ZINC000348551779 456762295 /nfs/dbraw/zinc/76/22/95/456762295.db2.gz IULAAWDZLUJIBC-UHFFFAOYSA-N 1 0 342.399 3.067 20 5 EGBDRO Cc1cc(N[C@@H](C)CC[NH+](C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301109099 456800123 /nfs/dbraw/zinc/80/01/23/456800123.db2.gz MKMMVYSTUCGXCS-LBPRGKRZSA-N 1 0 329.404 3.112 20 5 EGBDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000338420321 456808350 /nfs/dbraw/zinc/80/83/50/456808350.db2.gz DMSMYIDOXUKCOO-LBPRGKRZSA-N 1 0 325.434 3.041 20 5 EGBDRO COc1cc(C[N@H+](C)[C@H]2C[C@](C)(OC)C2(C)C)c([N+](=O)[O-])cc1F ZINC000341274590 456830422 /nfs/dbraw/zinc/83/04/22/456830422.db2.gz GEAHZRWUTMFDMP-RDJZCZTQSA-N 1 0 340.395 3.378 20 5 EGBDRO C[N@@H+]1CCC[C@@]2(CCN(c3ccnc4c3cccc4[N+](=O)[O-])C2)C1 ZINC000338746759 456855548 /nfs/dbraw/zinc/85/55/48/456855548.db2.gz QZABXFICKAHQCT-GOSISDBHSA-N 1 0 326.400 3.065 20 5 EGBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccc(C(=O)N(C)C)cc1 ZINC000292106020 456855752 /nfs/dbraw/zinc/85/57/52/456855752.db2.gz JVLGKGNSHRZDIG-CQSZACIVSA-N 1 0 341.411 3.190 20 5 EGBDRO Cc1ccc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(C)c1 ZINC000353708888 456865290 /nfs/dbraw/zinc/86/52/90/456865290.db2.gz IQKIOCMBUBZGEN-INIZCTEOSA-N 1 0 326.400 3.293 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1ccc(CN2C[C@@H]3[NH2+]CCC[C@H]3C2)o1 ZINC000353717845 456870734 /nfs/dbraw/zinc/87/07/34/456870734.db2.gz ZETLCCWCDKWBDW-BBRMVZONSA-N 1 0 327.384 3.039 20 5 EGBDRO C[C@@H](CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)[N@@H+]1CCCC[C@H]1C ZINC000339004320 456894922 /nfs/dbraw/zinc/89/49/22/456894922.db2.gz RDZLRNTVMOXHPK-OLZOCXBDSA-N 1 0 346.431 3.154 20 5 EGBDRO C[C@@]1(CO)CCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000339106886 456943619 /nfs/dbraw/zinc/94/36/19/456943619.db2.gz BOFRQIORFOWLIH-KBPBESRZSA-N 1 0 332.322 3.254 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CC[NH+](C2CCCC2)CC1 ZINC000349798215 457056409 /nfs/dbraw/zinc/05/64/09/457056409.db2.gz FQODWKFAEVZXAH-UHFFFAOYSA-N 1 0 333.432 3.054 20 5 EGBDRO C/C=C\C[C@@H](CO)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000349852926 457079984 /nfs/dbraw/zinc/07/99/84/457079984.db2.gz QXESGRJTIIZLIC-ZRMMWKCHSA-N 1 0 333.413 3.135 20 5 EGBDRO CCC[C@H]([NH2+]C[C@@H]1CN(CC(C)C)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000359517173 457091285 /nfs/dbraw/zinc/09/12/85/457091285.db2.gz MXVWVLOFACGGOP-MOPGFXCFSA-N 1 0 349.475 3.382 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+]C1[C@@H](C)CCC[C@@H]1C ZINC000330862591 457097051 /nfs/dbraw/zinc/09/70/51/457097051.db2.gz VZPAFVKZDRYFSG-AVGNSLFASA-N 1 0 349.431 3.345 20 5 EGBDRO C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1c1ncccc1[N+](=O)[O-] ZINC000346678180 457107691 /nfs/dbraw/zinc/10/76/91/457107691.db2.gz WUDLEBXWSBMHNF-GJZGRUSLSA-N 1 0 326.400 3.089 20 5 EGBDRO Cc1nccnc1CC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000339529252 457137527 /nfs/dbraw/zinc/13/75/27/457137527.db2.gz PAEJSCJOYJZVFL-UHFFFAOYSA-N 1 0 338.367 3.286 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccccc1CC[NH+](C)C ZINC000354232788 457145917 /nfs/dbraw/zinc/14/59/17/457145917.db2.gz CLPUIUBNWWGOAA-UHFFFAOYSA-N 1 0 327.384 3.260 20 5 EGBDRO C[C@@H](CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC000346782584 457166632 /nfs/dbraw/zinc/16/66/32/457166632.db2.gz HJVRRRQNTVAIIF-NEPJUHHUSA-N 1 0 339.823 3.241 20 5 EGBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CC[C@@H](CC2CC2)C1 ZINC000339673179 457203622 /nfs/dbraw/zinc/20/36/22/457203622.db2.gz DQMYJGIISAYTTF-AWEZNQCLSA-N 1 0 345.399 3.015 20 5 EGBDRO C[C@H]1CCCC[C@@H]1OCC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000331872159 457266583 /nfs/dbraw/zinc/26/65/83/457266583.db2.gz HDZPVLORRSPJDK-HOCLYGCPSA-N 1 0 336.436 3.024 20 5 EGBDRO C[C@@H](C1CCC1)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000357020633 457281193 /nfs/dbraw/zinc/28/11/93/457281193.db2.gz FYOITKCIBDTQBD-JTQLQIEISA-N 1 0 325.796 3.307 20 5 EGBDRO C[C@@H]1CCCC[N@@H+]1CCCCNc1ncnc2cccc([N+](=O)[O-])c21 ZINC000347401480 457402027 /nfs/dbraw/zinc/40/20/27/457402027.db2.gz CJFSDRPOOJCJBF-CQSZACIVSA-N 1 0 343.431 3.026 20 5 EGBDRO C[N@H+](CCC(=O)Nc1cccc(F)c1)CCc1ccccc1[N+](=O)[O-] ZINC000352543828 457454088 /nfs/dbraw/zinc/45/40/88/457454088.db2.gz KIGVYLKNESKFKE-UHFFFAOYSA-N 1 0 345.374 3.237 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(O[C@H]2CCOC2)CC1 ZINC000352546417 457456382 /nfs/dbraw/zinc/45/63/82/457456382.db2.gz UYKVVSLQCKCBKW-PBHICJAKSA-N 1 0 334.416 3.234 20 5 EGBDRO C[N@H+](CCc1ccc2c(c1)OCCO2)CCc1ccccc1[N+](=O)[O-] ZINC000352570217 457474638 /nfs/dbraw/zinc/47/46/38/457474638.db2.gz DQXVAMABGOPAMW-UHFFFAOYSA-N 1 0 342.395 3.083 20 5 EGBDRO COc1ccc(-c2ccc(C[NH2+][C@@H](C)C[C@@H](C)O)o2)c([N+](=O)[O-])c1 ZINC000361045001 457540717 /nfs/dbraw/zinc/54/07/17/457540717.db2.gz VRTKAIMZGOENPW-NWDGAFQWSA-N 1 0 334.372 3.112 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)CCC(F)(F)F ZINC000357472051 457550026 /nfs/dbraw/zinc/55/00/26/457550026.db2.gz PQESQUOEXUUSII-UHFFFAOYSA-N 1 0 333.310 3.116 20 5 EGBDRO C[C@@]1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCN(Cc2ccccc2)C1 ZINC000406031154 457554684 /nfs/dbraw/zinc/55/46/84/457554684.db2.gz NBHNKWMHTQXSKN-LJQANCHMSA-N 1 0 325.412 3.349 20 5 EGBDRO Cc1nc(N2CCC([NH2+]Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000408523047 457579796 /nfs/dbraw/zinc/57/97/96/457579796.db2.gz OIRFGUVPQGQBRI-UHFFFAOYSA-N 1 0 326.400 3.057 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)C[C@H](O)Cc1ccccc1 ZINC000433045476 457651347 /nfs/dbraw/zinc/65/13/47/457651347.db2.gz MDMOFIAMBOXAJZ-CRAIPNDOSA-N 1 0 328.412 3.500 20 5 EGBDRO Cc1c([C@@H](C)[NH2+]Cc2ccc(-n3ccnc3)nc2)cccc1[N+](=O)[O-] ZINC000370669854 457696350 /nfs/dbraw/zinc/69/63/50/457696350.db2.gz RTRHPRFKXDUXHA-CQSZACIVSA-N 1 0 337.383 3.335 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](C)C[C@H]1[C@H](C)O ZINC000443341428 457749772 /nfs/dbraw/zinc/74/97/72/457749772.db2.gz IQISOAVRVGBUTF-KEYYUXOJSA-N 1 0 336.432 3.363 20 5 EGBDRO COc1cccc2c1CC[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)C2 ZINC000426060743 457768087 /nfs/dbraw/zinc/76/80/87/457768087.db2.gz IOPYSDXYJWWXDQ-MRXNPFEDSA-N 1 0 326.396 3.293 20 5 EGBDRO C[C@H](CCN1CCOCC1)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433281110 457797159 /nfs/dbraw/zinc/79/71/59/457797159.db2.gz HJDXZADDTWBSKU-RDTXWAMCSA-N 1 0 347.459 3.018 20 5 EGBDRO COc1ccc(NC(=O)CC[N@H+](CCC(C)C)C2CC2)c([N+](=O)[O-])c1 ZINC000411170203 457818431 /nfs/dbraw/zinc/81/84/31/457818431.db2.gz AJRMITSQMRSMMV-UHFFFAOYSA-N 1 0 349.431 3.443 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H](C)[C@@H]1C ZINC000411318333 457856867 /nfs/dbraw/zinc/85/68/67/457856867.db2.gz ZFCWKJSTQHNQPF-STQMWFEESA-N 1 0 335.404 3.052 20 5 EGBDRO COc1ccc(NC(=O)CC[N@H+](C)[C@H]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000411608641 457928806 /nfs/dbraw/zinc/92/88/06/457928806.db2.gz GRKFIYYCEPNNFH-BBRMVZONSA-N 1 0 349.431 3.443 20 5 EGBDRO CC(C)[C@@H](c1ccc(F)cc1)[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000434620002 458022953 /nfs/dbraw/zinc/02/29/53/458022953.db2.gz WBCVGDGYXXOKHR-SFHVURJKSA-N 1 0 347.390 3.225 20 5 EGBDRO Cc1c([C@H](C)[NH2+]Cc2cccc(-n3cncn3)c2)cccc1[N+](=O)[O-] ZINC000362236966 458044358 /nfs/dbraw/zinc/04/43/58/458044358.db2.gz HVNYSWRRPLDPQU-AWEZNQCLSA-N 1 0 337.383 3.335 20 5 EGBDRO Cc1cc(C(=O)N2CCC[C@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)ccc1[N+](=O)[O-] ZINC000358650205 458128225 /nfs/dbraw/zinc/12/82/25/458128225.db2.gz NHEZCDMCLYXHAJ-UXLLHSPISA-N 1 0 345.443 3.381 20 5 EGBDRO C[NH+](C)CCNC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000428956222 458240910 /nfs/dbraw/zinc/24/09/10/458240910.db2.gz XWNNLTHGWBTKSE-UHFFFAOYSA-N 1 0 345.424 3.037 20 5 EGBDRO CC(C)[N@H+]1C[C@H](Nc2cc(C(F)(F)F)ncc2[N+](=O)[O-])[C@@H](C)C1 ZINC000436415201 458301736 /nfs/dbraw/zinc/30/17/36/458301736.db2.gz WNHRBCWYISFTNV-ONGXEEELSA-N 1 0 332.326 3.149 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1Cc2cccc(O)c2C1 ZINC000429322018 458316831 /nfs/dbraw/zinc/31/68/31/458316831.db2.gz HAZIVCMSDLSFCD-HNNXBMFYSA-N 1 0 342.395 3.345 20 5 EGBDRO C[C@@H]1C[C@H](CC[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCO1 ZINC000447602954 458320334 /nfs/dbraw/zinc/32/03/34/458320334.db2.gz URLZQPCNTQDXLA-KLHDSHLOSA-N 1 0 336.436 3.070 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)CCCNC(=O)C1CCC1 ZINC000429552280 458344333 /nfs/dbraw/zinc/34/43/33/458344333.db2.gz JEUXGSTVGAWYOF-AWEZNQCLSA-N 1 0 333.432 3.202 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000447910779 458365255 /nfs/dbraw/zinc/36/52/55/458365255.db2.gz DHPCLEDIJNFZGC-OAHLLOKOSA-N 1 0 334.420 3.145 20 5 EGBDRO CC(C)[NH+](CCNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])C(C)C ZINC000429912010 458382570 /nfs/dbraw/zinc/38/25/70/458382570.db2.gz VGGYQVXMXNQMID-UHFFFAOYSA-N 1 0 335.448 3.107 20 5 EGBDRO CCC[N@H+](CC(N)=O)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000430140887 458408861 /nfs/dbraw/zinc/40/88/61/458408861.db2.gz VNPUWUDPLFPIMH-UHFFFAOYSA-N 1 0 333.413 3.021 20 5 EGBDRO CCC1CCC([N@H+](CCO)Cc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000430239705 458426793 /nfs/dbraw/zinc/42/67/93/458426793.db2.gz BTAQSEJLNGVORB-UHFFFAOYSA-N 1 0 336.432 3.367 20 5 EGBDRO CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000430826720 458495827 /nfs/dbraw/zinc/49/58/27/458495827.db2.gz XCAXCGBXCUXCOT-NVXWUHKLSA-N 1 0 333.432 3.225 20 5 EGBDRO C[C@@H](C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccc(F)cc1 ZINC000438092283 458530586 /nfs/dbraw/zinc/53/05/86/458530586.db2.gz FXNROJYDKUHFPK-BBRMVZONSA-N 1 0 344.390 3.419 20 5 EGBDRO C[NH2+]CCCN(C)C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000424032055 458540753 /nfs/dbraw/zinc/54/07/53/458540753.db2.gz KMWDYTGXYVWQKS-UHFFFAOYSA-N 1 0 342.399 3.020 20 5 EGBDRO Cc1cc(N2CC[C@@H]([NH+]3CC=CC3)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461933340 458580564 /nfs/dbraw/zinc/58/05/64/458580564.db2.gz FIKDPUNNUQRHFC-GFCCVEGCSA-N 1 0 341.333 3.373 20 5 EGBDRO CC[N@@H+]1CCCN(c2cc(C)c([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000461975717 458585252 /nfs/dbraw/zinc/58/52/52/458585252.db2.gz UZFZDKFUOGWKCK-UHFFFAOYSA-N 1 0 331.338 3.454 20 5 EGBDRO CC(C)CC[NH+]1CCC(CNC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000431645711 458601092 /nfs/dbraw/zinc/60/10/92/458601092.db2.gz RMADPFKTWIIBIH-UHFFFAOYSA-N 1 0 348.447 3.474 20 5 EGBDRO CC(C)(C)[N@H+](Cc1ccccc1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000438595699 458603858 /nfs/dbraw/zinc/60/38/58/458603858.db2.gz HLFHFLIUVNGDIT-UHFFFAOYSA-N 1 0 341.411 3.494 20 5 EGBDRO COC(=O)[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)[C@@H]1C ZINC000470139387 458616003 /nfs/dbraw/zinc/61/60/03/458616003.db2.gz BQCFMHWQLAVIDY-OCCSQVGLSA-N 1 0 344.367 3.238 20 5 EGBDRO COC(=O)[C@H]1CC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)[C@H]1C ZINC000470149751 458616488 /nfs/dbraw/zinc/61/64/88/458616488.db2.gz CRSXRKLGXZCIHU-LRDDRELGSA-N 1 0 344.367 3.238 20 5 EGBDRO CCCNC(=O)[C@H]1CCC[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000470183840 458622955 /nfs/dbraw/zinc/62/29/55/458622955.db2.gz SMIAGUADGRYILZ-HKBKRHGFSA-N 1 0 345.443 3.236 20 5 EGBDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000502448031 458649319 /nfs/dbraw/zinc/64/93/19/458649319.db2.gz VQRDCHVRTNXBGE-MRXNPFEDSA-N 1 0 333.432 3.288 20 5 EGBDRO Cc1cc(NC[C@H]2CCC[N@@H+]2CC2CCCCC2)ncc1[N+](=O)[O-] ZINC000470862913 458656603 /nfs/dbraw/zinc/65/66/03/458656603.db2.gz PPYOVPSODLJWQA-MRXNPFEDSA-N 1 0 332.448 3.177 20 5 EGBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000502862221 458675805 /nfs/dbraw/zinc/67/58/05/458675805.db2.gz NDGMUAHYTXQAGX-GASCZTMLSA-N 1 0 348.447 3.474 20 5 EGBDRO CC[NH+](CC)Cc1ccccc1CNc1ccc([N+](=O)[O-])c(C)n1 ZINC000471627253 458706692 /nfs/dbraw/zinc/70/66/92/458706692.db2.gz LZPIQIIFSCSFMJ-UHFFFAOYSA-N 1 0 328.416 3.174 20 5 EGBDRO CC1(C[N@@H+]2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)CCC1 ZINC000432860703 458802762 /nfs/dbraw/zinc/80/27/62/458802762.db2.gz UCVOWOUOFKCTJV-UHFFFAOYSA-N 1 0 343.431 3.173 20 5 EGBDRO Cc1ccc(NC(=O)NCCC[NH2+]C2CCCCC2)cc1[N+](=O)[O-] ZINC000518384857 458863351 /nfs/dbraw/zinc/86/33/51/458863351.db2.gz IZQIBCJANYIJOK-UHFFFAOYSA-N 1 0 334.420 3.337 20 5 EGBDRO CC[C@H](O)C[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000441079970 458885730 /nfs/dbraw/zinc/88/57/30/458885730.db2.gz OSCBMKFLLXZERY-IBGZPJMESA-N 1 0 328.412 3.410 20 5 EGBDRO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](CC(C)C)C2)c([N+](=O)[O-])c1 ZINC000467177781 458956000 /nfs/dbraw/zinc/95/60/00/458956000.db2.gz XOZOQEVHDUTHCN-KGLIPLIRSA-N 1 0 349.431 3.298 20 5 EGBDRO CCCC[N@H+](C)CC1CCN(c2ccc([N+](=O)[O-])c(N)c2F)CC1 ZINC000476093782 458979103 /nfs/dbraw/zinc/97/91/03/458979103.db2.gz BMFQBIYYVCQZOZ-UHFFFAOYSA-N 1 0 338.427 3.264 20 5 EGBDRO CCCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])c(C(=O)OCC)c2)CC1 ZINC000467782818 458987231 /nfs/dbraw/zinc/98/72/31/458987231.db2.gz BMFFFQYCZRKUJS-UHFFFAOYSA-N 1 0 349.431 3.448 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H](CC(C)C)N1CCOCC1 ZINC000531989178 459012435 /nfs/dbraw/zinc/01/24/35/459012435.db2.gz IFHPKGGMKIJLCZ-AEFFLSMTSA-N 1 0 349.475 3.301 20 5 EGBDRO COc1ccc(OCC[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000594489541 459057414 /nfs/dbraw/zinc/05/74/14/459057414.db2.gz BTAHDCKHQRZXCT-KRWDZBQOSA-N 1 0 328.368 3.259 20 5 EGBDRO CC(C)(C)C(=O)N1CCC([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000594493860 459059169 /nfs/dbraw/zinc/05/91/69/459059169.db2.gz NOYXKEWHKTUSIY-INIZCTEOSA-N 1 0 345.443 3.209 20 5 EGBDRO Cc1c(NC(=O)[C@H](C)[NH+]2CCC(C3CC3)CC2)cccc1[N+](=O)[O-] ZINC000590008129 459066648 /nfs/dbraw/zinc/06/66/48/459066648.db2.gz GBEPKGMGFTXJHN-ZDUSSCGKSA-N 1 0 331.416 3.352 20 5 EGBDRO O=C1Nc2ccccc2CC[C@H]1[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594514421 459073087 /nfs/dbraw/zinc/07/30/87/459073087.db2.gz XLAVNGGWQHSICD-IAGOWNOFSA-N 1 0 337.379 3.125 20 5 EGBDRO C[C@H](Cc1ccccn1)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000594517201 459074666 /nfs/dbraw/zinc/07/46/66/459074666.db2.gz HXSPBWZKGYOHRX-LLVKDONJSA-N 1 0 337.326 3.312 20 5 EGBDRO Cc1cc(N2CC[C@@H](C[NH+]3CCCC3)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000590135995 459091696 /nfs/dbraw/zinc/09/16/96/459091696.db2.gz RLQYBQXHRSEAQQ-HNNXBMFYSA-N 1 0 340.427 3.374 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](CO)C1CCCCC1 ZINC000590194578 459099389 /nfs/dbraw/zinc/09/93/89/459099389.db2.gz KGVWEDFNWYMEKG-MRXNPFEDSA-N 1 0 336.432 3.272 20 5 EGBDRO O=[N+]([O-])c1cc2c(ncnc2N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)s1 ZINC000594597614 459102863 /nfs/dbraw/zinc/10/28/63/459102863.db2.gz DDGKPOZNVXUDPZ-VXGBXAGGSA-N 1 0 333.417 3.028 20 5 EGBDRO C[C@H](C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000567556039 459123609 /nfs/dbraw/zinc/12/36/09/459123609.db2.gz PSPHUMAEGIYPPB-MAUKXSAKSA-N 1 0 345.443 3.175 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+][C@H](CO)CC1CCC1 ZINC000479509959 459144394 /nfs/dbraw/zinc/14/43/94/459144394.db2.gz KFWCKUPTPYVOHW-RYQLBKOJSA-N 1 0 332.444 3.447 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H](C(C)C)CC1 ZINC000532960210 459166607 /nfs/dbraw/zinc/16/66/07/459166607.db2.gz YUWOHAAJZNHCHP-AWEZNQCLSA-N 1 0 349.431 3.300 20 5 EGBDRO CC(C)C[C@@H]1CCCCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000532974132 459168470 /nfs/dbraw/zinc/16/84/70/459168470.db2.gz SRIGVGQKPBUNJX-INIZCTEOSA-N 1 0 333.432 3.484 20 5 EGBDRO CC(C)[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000578316062 459179590 /nfs/dbraw/zinc/17/95/90/459179590.db2.gz LRCOLBQNEUGYSK-OAGGEKHMSA-N 1 0 336.432 3.139 20 5 EGBDRO C[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000496429089 459190528 /nfs/dbraw/zinc/19/05/28/459190528.db2.gz HUBLMKUMJOSFDO-BXUZGUMPSA-N 1 0 335.404 3.085 20 5 EGBDRO C[C@@H](CC[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000578435491 459200928 /nfs/dbraw/zinc/20/09/28/459200928.db2.gz DNCIEFZYSLUGCX-YJBOKZPZSA-N 1 0 344.411 3.118 20 5 EGBDRO C[C@H]([NH3+])c1ccc(C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000567980521 459201729 /nfs/dbraw/zinc/20/17/29/459201729.db2.gz CNIKEOLWWGLEPE-ZDUSSCGKSA-N 1 0 339.395 3.419 20 5 EGBDRO CO[C@@](C)(C[NH2+]Cc1ccccc1[N+](=O)[O-])COCc1ccccc1 ZINC000594976292 459202303 /nfs/dbraw/zinc/20/23/03/459202303.db2.gz YYBIXWYMKFWYLR-IBGZPJMESA-N 1 0 344.411 3.306 20 5 EGBDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000558760241 459209535 /nfs/dbraw/zinc/20/95/35/459209535.db2.gz RABCCCXPAWGPGR-MRXNPFEDSA-N 1 0 333.432 3.288 20 5 EGBDRO CC[N@H+](CCc1cccs1)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000533260739 459210239 /nfs/dbraw/zinc/21/02/39/459210239.db2.gz NJEIZPSLAAVRJG-UHFFFAOYSA-N 1 0 347.440 3.468 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](O)[C@H](C)c1ccccc1 ZINC000594999506 459210290 /nfs/dbraw/zinc/21/02/90/459210290.db2.gz AJJDUFURVRCNGV-RDTXWAMCSA-N 1 0 344.411 3.248 20 5 EGBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2C[C@H](O)C2)ccc1Oc1ccc(F)cc1 ZINC000594999185 459210472 /nfs/dbraw/zinc/21/04/72/459210472.db2.gz PMIQZTHVXTZDPW-HDJSIYSDSA-N 1 0 332.331 3.139 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCCNc1ccccn1 ZINC000595015201 459216705 /nfs/dbraw/zinc/21/67/05/459216705.db2.gz YKPDTLOUAMGULT-ZDUSSCGKSA-N 1 0 330.388 3.151 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCCNc1ccccn1 ZINC000595015199 459217219 /nfs/dbraw/zinc/21/72/19/459217219.db2.gz YKPDTLOUAMGULT-CYBMUJFWSA-N 1 0 330.388 3.151 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H](CO)Cc1ccccc1 ZINC000595016239 459217336 /nfs/dbraw/zinc/21/73/36/459217336.db2.gz JAGWJARCGJKPEX-HOCLYGCPSA-N 1 0 344.411 3.105 20 5 EGBDRO C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000481094517 459233114 /nfs/dbraw/zinc/23/31/14/459233114.db2.gz QHHVIPWETMBSBG-UKPHBRMFSA-N 1 0 336.432 3.139 20 5 EGBDRO C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000481120135 459235224 /nfs/dbraw/zinc/23/52/24/459235224.db2.gz ZXQXCFNZINYDID-BBRMVZONSA-N 1 0 345.443 3.288 20 5 EGBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCCc1ccco1 ZINC000595093539 459243413 /nfs/dbraw/zinc/24/34/13/459243413.db2.gz LGBGZPMJSHZDOV-ZDUSSCGKSA-N 1 0 331.372 3.127 20 5 EGBDRO CC[C@H]([NH2+]C[C@H]1CC(=O)N(C(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000595105269 459246640 /nfs/dbraw/zinc/24/66/40/459246640.db2.gz SAJNPYDVOQEAOG-CJNGLKHVSA-N 1 0 333.432 3.283 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC000481386297 459249436 /nfs/dbraw/zinc/24/94/36/459249436.db2.gz YORBIISUKKPBEY-YOEHRIQHSA-N 1 0 336.432 3.365 20 5 EGBDRO CC[C@H](CC(F)F)C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000595292480 459269174 /nfs/dbraw/zinc/26/91/74/459269174.db2.gz YXZOGZDBJHASLL-CYBMUJFWSA-N 1 0 327.375 3.398 20 5 EGBDRO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](C3CCC3)C2)c([N+](=O)[O-])c1 ZINC000591061952 459302941 /nfs/dbraw/zinc/30/29/41/459302941.db2.gz PEFZSGGNSHVLFW-TZMCWYRMSA-N 1 0 347.415 3.052 20 5 EGBDRO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C3CCC3)C2)cccc1[N+](=O)[O-] ZINC000591063040 459303201 /nfs/dbraw/zinc/30/32/01/459303201.db2.gz HJELWNOGMOMLHV-DZGCQCFKSA-N 1 0 331.416 3.352 20 5 EGBDRO CN(CCC[N@H+](C)Cc1ccco1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595485079 459321137 /nfs/dbraw/zinc/32/11/37/459321137.db2.gz VLSGXAGCGNBIQG-UHFFFAOYSA-N 1 0 335.379 3.281 20 5 EGBDRO O=C(c1ccc2c(c1)C[NH2+]C2)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000569007132 459381955 /nfs/dbraw/zinc/38/19/55/459381955.db2.gz DDIDIDJDMMHODO-UHFFFAOYSA-N 1 0 337.379 3.003 20 5 EGBDRO CCC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000524892785 459401768 /nfs/dbraw/zinc/40/17/68/459401768.db2.gz NAXVGPNXQCBYFQ-KZNAEPCWSA-N 1 0 348.443 3.499 20 5 EGBDRO CCc1ccc([C@@H](NCC[NH2+]C2CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000591577337 459405522 /nfs/dbraw/zinc/40/55/22/459405522.db2.gz SOLGHBHWEPULNY-SFHVURJKSA-N 1 0 329.400 3.181 20 5 EGBDRO CCOc1ccc(NC(=O)C[NH2+]C2(CC(C)C)CC2)c([N+](=O)[O-])c1 ZINC000595830480 459457087 /nfs/dbraw/zinc/45/70/87/459457087.db2.gz FJIVIMGDZROWEW-UHFFFAOYSA-N 1 0 335.404 3.100 20 5 EGBDRO CC1C[C@H]2CC[C@@H](C1)[N@H+]2CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000595857269 459465791 /nfs/dbraw/zinc/46/57/91/459465791.db2.gz IOGMXUDAOKSINB-AGUYFDCRSA-N 1 0 345.399 3.156 20 5 EGBDRO CC[C@@H]1CCC[C@H](C)[N@@H+]1CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000595868245 459468048 /nfs/dbraw/zinc/46/80/48/459468048.db2.gz VDJHGJXPRULCPZ-QWHCGFSZSA-N 1 0 335.404 3.195 20 5 EGBDRO CCCN(C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)[C@H]1CC[N@H+](C)C1 ZINC000591976850 459503455 /nfs/dbraw/zinc/50/34/55/459503455.db2.gz SMPUUJCMWFTJMG-HOCLYGCPSA-N 1 0 348.447 3.090 20 5 EGBDRO CC[N@H+](C)Cc1cccc(CNc2c(Cl)cncc2[N+](=O)[O-])c1 ZINC000596089655 459516496 /nfs/dbraw/zinc/51/64/96/459516496.db2.gz RLRYAUMRXWKVFX-UHFFFAOYSA-N 1 0 334.807 3.129 20 5 EGBDRO CC(C)CC[C@H]1CCC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000486795571 459521773 /nfs/dbraw/zinc/52/17/73/459521773.db2.gz QGGSSESQOUNTDJ-MRXNPFEDSA-N 1 0 333.432 3.458 20 5 EGBDRO C[C@@H]([NH2+]C(C)(C)CNc1cc[nH]c(=O)c1[N+](=O)[O-])c1ccccc1 ZINC000596112241 459525254 /nfs/dbraw/zinc/52/52/54/459525254.db2.gz KXGRRZOMQNSTLU-GFCCVEGCSA-N 1 0 330.388 3.237 20 5 EGBDRO C[N@@H+]1CCC[C@H](CNc2cc[nH]c(=O)c2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000596147138 459537146 /nfs/dbraw/zinc/53/71/46/459537146.db2.gz UOVCXOBHBUFQTE-RISCZKNCSA-N 1 0 348.428 3.252 20 5 EGBDRO CCc1ccc(C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000592254253 459561068 /nfs/dbraw/zinc/56/10/68/459561068.db2.gz ASBKJFSTKLCJCY-DLBZAZTESA-N 1 0 345.443 3.009 20 5 EGBDRO C[C@H]1[NH2+]CC[C@H]1C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000592272770 459566700 /nfs/dbraw/zinc/56/67/00/459566700.db2.gz GBIDJEVPOUXVAF-SJKOYZFVSA-N 1 0 341.367 3.324 20 5 EGBDRO CC[N@@H+]1CCCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)[C@@H](C)C1 ZINC000596268015 459580227 /nfs/dbraw/zinc/58/02/27/459580227.db2.gz BNTCQAUCPDMVTE-NSHDSACASA-N 1 0 329.347 3.117 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000527054882 459583965 /nfs/dbraw/zinc/58/39/65/459583965.db2.gz PMTFHVKIACWOJP-BXUGYJKXSA-N 1 0 340.427 3.296 20 5 EGBDRO CC(C)(C)[N@@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])cc2Br)C1 ZINC000596336651 459600055 /nfs/dbraw/zinc/60/00/55/459600055.db2.gz RFTPNNWPWJROHF-SECBINFHSA-N 1 0 343.225 3.037 20 5 EGBDRO COc1ccc(C[NH2+]CC(C)(C)c2ncccc2C)cc1[N+](=O)[O-] ZINC000583987224 459630260 /nfs/dbraw/zinc/63/02/60/459630260.db2.gz GORHTJMAHSLKND-UHFFFAOYSA-N 1 0 329.400 3.374 20 5 EGBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000592568210 459631200 /nfs/dbraw/zinc/63/12/00/459631200.db2.gz KGTSDYQVHAVONJ-GFCCVEGCSA-N 1 0 349.456 3.111 20 5 EGBDRO O=[N+]([O-])c1ccc(NCC2CC[NH+](Cc3ccncc3)CC2)c(F)c1 ZINC000596439837 459636891 /nfs/dbraw/zinc/63/68/91/459636891.db2.gz HEPURXMSSQMOMA-UHFFFAOYSA-N 1 0 344.390 3.453 20 5 EGBDRO Cc1nc(N2CC[C@@H]([N@H+](C)CCc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000596462840 459645239 /nfs/dbraw/zinc/64/52/39/459645239.db2.gz VCRCHNVNPAMRCV-QGZVFWFLSA-N 1 0 340.427 3.051 20 5 EGBDRO Cc1ccc(NC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)cc1[N+](=O)[O-] ZINC000584061828 459645572 /nfs/dbraw/zinc/64/55/72/459645572.db2.gz WCWKZPFCGHWFDZ-HNNXBMFYSA-N 1 0 349.456 3.059 20 5 EGBDRO O=[N+]([O-])c1c(N[C@H]2CC[N@@H+](C3CCCCC3)C2)nc2sccn21 ZINC000596479026 459650026 /nfs/dbraw/zinc/65/00/26/459650026.db2.gz RXTMFZGMVJOPDN-NSHDSACASA-N 1 0 335.433 3.123 20 5 EGBDRO C[C@@H]1CC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1(C)C ZINC000573292893 459654515 /nfs/dbraw/zinc/65/45/15/459654515.db2.gz UBIGLPGXTSTVQB-CYBMUJFWSA-N 1 0 347.415 3.261 20 5 EGBDRO COC(=O)C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000543463345 459660223 /nfs/dbraw/zinc/66/02/23/459660223.db2.gz KIKPECHCJDCAKN-KRWDZBQOSA-N 1 0 334.416 3.239 20 5 EGBDRO C[C@@H](O)[C@H]1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000543748176 459695086 /nfs/dbraw/zinc/69/50/86/459695086.db2.gz JZXHIGOZZDZTJG-HIFRSBDPSA-N 1 0 330.384 3.448 20 5 EGBDRO O=C(Nc1cccc([N+](=O)[O-])c1)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000596619558 459701396 /nfs/dbraw/zinc/70/13/96/459701396.db2.gz JGSIOTNKLGGKRJ-GOSISDBHSA-N 1 0 339.395 3.413 20 5 EGBDRO Cc1cc(N2CC[C@H]3[NH2+]CC[C@@H]3C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000584460255 459744261 /nfs/dbraw/zinc/74/42/61/459744261.db2.gz OJNGTXKNMGNMOH-ZYHUDNBSSA-N 1 0 329.322 3.110 20 5 EGBDRO CC[C@@H]1C[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)[C@@H](CC)CO1 ZINC000593059634 459760515 /nfs/dbraw/zinc/76/05/15/459760515.db2.gz RLZCNYJDDMEKOX-LSDHHAIUSA-N 1 0 349.431 3.121 20 5 EGBDRO [NH3+]Cc1ccc(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)c(F)c1 ZINC000593320230 459840542 /nfs/dbraw/zinc/84/05/42/459840542.db2.gz BFSDVMQCEDOASA-SFHVURJKSA-N 1 0 329.375 3.360 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCCn3cncn3)s2)cc1 ZINC000608835759 459889214 /nfs/dbraw/zinc/88/92/14/459889214.db2.gz NNEJPFWVLVXLMK-UHFFFAOYSA-N 1 0 343.412 3.095 20 5 EGBDRO C[C@H](CNc1ncnc2sc([N+](=O)[O-])cc21)[N@@H+]1CCC[C@H](C)C1 ZINC000587210582 459891842 /nfs/dbraw/zinc/89/18/42/459891842.db2.gz UAGKUAPCWPXUAC-WDEREUQCSA-N 1 0 335.433 3.132 20 5 EGBDRO C[N@@H+]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])[C@@H](Cc2ccccc2)C1 ZINC000593502952 459908586 /nfs/dbraw/zinc/90/85/86/459908586.db2.gz GCDLZBGZGOIXOO-HNNXBMFYSA-N 1 0 346.818 3.006 20 5 EGBDRO C[C@@H](C[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1)N(C)C ZINC000609223431 459927904 /nfs/dbraw/zinc/92/79/04/459927904.db2.gz QSPOJVHDHPKMQS-HNNXBMFYSA-N 1 0 342.443 3.402 20 5 EGBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[N@H+](C)C[C@H]1CC ZINC000597604236 460005554 /nfs/dbraw/zinc/00/55/54/460005554.db2.gz ICOMMQXFCKUNFA-IAGOWNOFSA-N 1 0 347.459 3.106 20 5 EGBDRO O=C(C[NH+]1CCC2(CCCC2)CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000575837789 460013156 /nfs/dbraw/zinc/01/31/56/460013156.db2.gz OMZJTGKSADRBIZ-UHFFFAOYSA-N 1 0 343.427 3.140 20 5 EGBDRO O=[N+]([O-])c1sc(C[NH2+]CCOCC2CCC2)cc1Br ZINC000602615570 460024944 /nfs/dbraw/zinc/02/49/44/460024944.db2.gz FVFXAIRIZYBKRO-UHFFFAOYSA-N 1 0 349.250 3.325 20 5 EGBDRO O=[N+]([O-])c1cc(F)c(CN2CCC(Nc3ccccn3)CC2)c(F)c1 ZINC000575941185 460037814 /nfs/dbraw/zinc/03/78/14/460037814.db2.gz ISWWVWCYYRNFSD-UHFFFAOYSA-N 1 0 348.353 3.345 20 5 EGBDRO C[C@@H]1COCC[C@@H]1C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602656974 460047197 /nfs/dbraw/zinc/04/71/97/460047197.db2.gz VLZMINOPGUGBSF-RKDXNWHRSA-N 1 0 349.250 3.181 20 5 EGBDRO CCN(CCC[NH+](CC)CC)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602662998 460052706 /nfs/dbraw/zinc/05/27/06/460052706.db2.gz QOMMWWONFSNONJ-UHFFFAOYSA-N 1 0 334.420 3.290 20 5 EGBDRO C[C@@]1(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)OCCc2sccc21 ZINC000602665310 460053942 /nfs/dbraw/zinc/05/39/42/460053942.db2.gz AGLIGKJPLYLFOB-KRWDZBQOSA-N 1 0 332.425 3.277 20 5 EGBDRO CN1CCC([N@H+](CCc2ccc([N+](=O)[O-])cc2)Cc2ccco2)CC1 ZINC000602668847 460056096 /nfs/dbraw/zinc/05/60/96/460056096.db2.gz VCTYBEUCXYBPBJ-UHFFFAOYSA-N 1 0 343.427 3.327 20 5 EGBDRO CC(C)CSCC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000618572311 460067749 /nfs/dbraw/zinc/06/77/49/460067749.db2.gz SFSNTCAUHZLIDD-KGLIPLIRSA-N 1 0 326.466 3.254 20 5 EGBDRO CCN1C[C@H](C[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)Oc2ccccc21 ZINC000610183144 460076510 /nfs/dbraw/zinc/07/65/10/460076510.db2.gz RPAQJRGRMBQSFT-KRWDZBQOSA-N 1 0 341.411 3.314 20 5 EGBDRO [NH3+]C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CCCCC1 ZINC000598914369 460091572 /nfs/dbraw/zinc/09/15/72/460091572.db2.gz BOBCAJSERLBXEZ-CQSZACIVSA-N 1 0 340.811 3.277 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@H](c2ccccc2C)C[C@@H]1C ZINC000602780209 460121041 /nfs/dbraw/zinc/12/10/41/460121041.db2.gz PVUCEQGJKPKDIQ-GOEBONIOSA-N 1 0 328.416 3.286 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000602785490 460123706 /nfs/dbraw/zinc/12/37/06/460123706.db2.gz QANQZDBUZKMDCI-HNNXBMFYSA-N 1 0 346.456 3.214 20 5 EGBDRO Cc1ccc([C@H]2C[C@H](C)CC[N@@H+]2CCn2c(C)ncc2[N+](=O)[O-])o1 ZINC000602788462 460126479 /nfs/dbraw/zinc/12/64/79/460126479.db2.gz XVUDXYYFFBITMD-IUODEOHRSA-N 1 0 332.404 3.474 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](c1ccc(F)cc1)C1CCC1 ZINC000602793058 460127910 /nfs/dbraw/zinc/12/79/10/460127910.db2.gz VEYKWHMSKANQIY-KRWDZBQOSA-N 1 0 332.379 3.370 20 5 EGBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000576409325 460135759 /nfs/dbraw/zinc/13/57/59/460135759.db2.gz PPUDPJDZXBIDKW-UHFFFAOYSA-N 1 0 333.432 3.064 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H]1/C=C/c1ccccc1 ZINC000602808628 460138764 /nfs/dbraw/zinc/13/87/64/460138764.db2.gz YILSDFHFJCMJMT-OAGJVSPASA-N 1 0 326.400 3.278 20 5 EGBDRO Cc1c([C@@H](C)[NH2+][C@H]2Cc3ccccc3NC2=O)cccc1[N+](=O)[O-] ZINC000599073677 460151673 /nfs/dbraw/zinc/15/16/73/460151673.db2.gz HBGPZWAFIQALFX-WBMJQRKESA-N 1 0 325.368 3.117 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2Cc3ccccc3NC2=O)cc1[N+](=O)[O-] ZINC000599073459 460152641 /nfs/dbraw/zinc/15/26/41/460152641.db2.gz DRCOOCQGLOPWAK-BLLLJJGKSA-N 1 0 325.368 3.117 20 5 EGBDRO COc1ccccc1[C@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000610447796 460154333 /nfs/dbraw/zinc/15/43/33/460154333.db2.gz BEBXBKWHSAYONM-MRXNPFEDSA-N 1 0 330.388 3.027 20 5 EGBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@H](c3cc4ccccc4[nH]3)C2)n1 ZINC000610484862 460162463 /nfs/dbraw/zinc/16/24/63/460162463.db2.gz UBTDCRRMBKCACN-HNNXBMFYSA-N 1 0 339.399 3.152 20 5 EGBDRO O=[N+]([O-])c1ccc2oc(CN3CCC[C@H]([NH+]4CCCC4)CC3)nc2c1 ZINC000610582222 460188381 /nfs/dbraw/zinc/18/83/81/460188381.db2.gz LJHXXKDPXOOPAV-AWEZNQCLSA-N 1 0 344.415 3.186 20 5 EGBDRO O=[N+]([O-])c1ccc2oc(CN3CCC[C@@H]([NH+]4CCCC4)CC3)nc2c1 ZINC000610582223 460188798 /nfs/dbraw/zinc/18/87/98/460188798.db2.gz LJHXXKDPXOOPAV-CQSZACIVSA-N 1 0 344.415 3.186 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+]C2CCN(C[C@H]3CCCO3)CC2)cc1[N+](=O)[O-] ZINC000610818830 460242232 /nfs/dbraw/zinc/24/22/32/460242232.db2.gz GQQNVAAQIHRARV-CRAIPNDOSA-N 1 0 347.459 3.197 20 5 EGBDRO COC1(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CCOCC1 ZINC000618986691 460243290 /nfs/dbraw/zinc/24/32/90/460243290.db2.gz PJTKGCYRLYOJNP-MRXNPFEDSA-N 1 0 334.416 3.102 20 5 EGBDRO C[C@H]1CC(F)(F)CCN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000599624690 460290536 /nfs/dbraw/zinc/29/05/36/460290536.db2.gz WJSQUQXBDWCCPL-JTQLQIEISA-N 1 0 338.314 3.264 20 5 EGBDRO CN(CCCC[NH+]1CCCCC1)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000603405669 460298616 /nfs/dbraw/zinc/29/86/16/460298616.db2.gz CHSRPMSHYWRPDG-UHFFFAOYSA-N 1 0 347.459 3.252 20 5 EGBDRO COc1ccc([C@@H]([NH2+]CCOc2ccccc2[N+](=O)[O-])C2CC2)cn1 ZINC000599694554 460313333 /nfs/dbraw/zinc/31/33/33/460313333.db2.gz ADMIZLOGZGMQHZ-SFHVURJKSA-N 1 0 343.383 3.118 20 5 EGBDRO COc1ccc(-c2ccc(C[N@@H+]3CCCOC[C@H]3C)o2)c([N+](=O)[O-])c1 ZINC000611272419 460323898 /nfs/dbraw/zinc/32/38/98/460323898.db2.gz JJNIRJKVJPWYFI-CYBMUJFWSA-N 1 0 346.383 3.474 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](C(=O)N1CCCC1)C(C)C ZINC000611335768 460338590 /nfs/dbraw/zinc/33/85/90/460338590.db2.gz BSXGTFBFQAHTDF-PBHICJAKSA-N 1 0 333.432 3.201 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](c2ccnc(C)n2)C1 ZINC000603834173 460344792 /nfs/dbraw/zinc/34/47/92/460344792.db2.gz JZDDSEKNLNDMRQ-AWEZNQCLSA-N 1 0 342.399 3.081 20 5 EGBDRO C[C@H](CNc1ccc2cc([N+](=O)[O-])ccc2n1)[N@@H+]1CCC[C@H](C)C1 ZINC000603858019 460349923 /nfs/dbraw/zinc/34/99/23/460349923.db2.gz ZFQKBAWLMZMNDU-UONOGXRCSA-N 1 0 328.416 3.097 20 5 EGBDRO CC[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C1CCCCC1 ZINC000611433635 460364581 /nfs/dbraw/zinc/36/45/81/460364581.db2.gz GDIZDHFZTNMJQZ-OAHLLOKOSA-N 1 0 349.431 3.490 20 5 EGBDRO CCOC(=O)c1[nH]c(C)c(CN(C)Cc2ccccc2[N+](=O)[O-])c1C ZINC000600112724 460385584 /nfs/dbraw/zinc/38/55/84/460385584.db2.gz RZTNRZVIMPXSSE-UHFFFAOYSA-N 1 0 345.399 3.348 20 5 EGBDRO O=C(C[NH2+]C1(c2ccc(F)cc2)CCC1)Nc1ccccc1[N+](=O)[O-] ZINC000604564788 460449078 /nfs/dbraw/zinc/44/90/78/460449078.db2.gz FLKSZFOBBKXIAZ-UHFFFAOYSA-N 1 0 343.358 3.341 20 5 EGBDRO C[C@@H](C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)C(C)(C)C ZINC000619844488 460455357 /nfs/dbraw/zinc/45/53/57/460455357.db2.gz ITBSKVRPARVTMG-AWEZNQCLSA-N 1 0 333.432 3.035 20 5 EGBDRO Cc1ccncc1[C@H](C)[NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000611940114 460493641 /nfs/dbraw/zinc/49/36/41/460493641.db2.gz SLHILIRVHAYYJI-AWEZNQCLSA-N 1 0 342.399 3.286 20 5 EGBDRO C[C@@H]1C[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)[C@@H]2CCCC[C@H]21 ZINC000611983691 460501332 /nfs/dbraw/zinc/50/13/32/460501332.db2.gz AGWNVXIWHRTSRW-VHDGCEQUSA-N 1 0 332.400 3.377 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000613302078 460901550 /nfs/dbraw/zinc/90/15/50/460901550.db2.gz XUQMDDWCOWQQQB-CYBMUJFWSA-N 1 0 334.420 3.063 20 5 EGBDRO CC(C)[C@@H]1CN(C(=O)c2cc3ccccc3c3cccnc23)CC[NH2+]1 ZINC000621152246 460917384 /nfs/dbraw/zinc/91/73/84/460917384.db2.gz SKKRULVMTCQULZ-IBGZPJMESA-N 1 0 333.435 3.458 20 5 EGBDRO Cc1c([C@H](C)[NH2+][C@H](C)C(=O)NCc2ccccc2)cccc1[N+](=O)[O-] ZINC000177944576 533955414 /nfs/dbraw/zinc/95/54/14/533955414.db2.gz QCJRISPMSCTAOJ-LSDHHAIUSA-N 1 0 341.411 3.259 20 5 EGBDRO Cc1ccc(CNC(=O)C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000181817779 533989412 /nfs/dbraw/zinc/98/94/12/533989412.db2.gz PPLMYEHNXSEEJP-OAHLLOKOSA-N 1 0 341.411 3.179 20 5 EGBDRO CC(=O)c1cc(NCC[N@@H+](C)Cc2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000342793332 534822490 /nfs/dbraw/zinc/82/24/90/534822490.db2.gz YZCWZWYMSLMBLH-UHFFFAOYSA-N 1 0 345.374 3.480 20 5 EGBDRO CC(C)(C)c1ccc(C(=O)NCC2(C)CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000181280538 526765132 /nfs/dbraw/zinc/76/51/32/526765132.db2.gz XQYIJTNVOWTOII-UHFFFAOYSA-N 1 0 333.432 3.012 20 5 EGBDRO CC(C)([NH2+]CCn1cc([N+](=O)[O-])cn1)c1cccc(Cl)c1F ZINC000186890678 527292871 /nfs/dbraw/zinc/29/28/71/527292871.db2.gz MLCCCJRDJXRWEC-UHFFFAOYSA-N 1 0 326.759 3.109 20 5 EGBDRO CC(C)C(=O)NCC[N@H+](C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000180838540 527498774 /nfs/dbraw/zinc/49/87/74/527498774.db2.gz GJBJJAFKFQOYGS-UHFFFAOYSA-N 1 0 345.399 3.059 20 5 EGBDRO CCC[C@@H]1C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CCO1 ZINC000132257487 527786200 /nfs/dbraw/zinc/78/62/00/527786200.db2.gz BZLIODBCZCSRAA-MRXNPFEDSA-N 1 0 345.399 3.293 20 5 EGBDRO CC[N@H+](C)[C@@H](C(=O)N(C)Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000171477138 527859439 /nfs/dbraw/zinc/85/94/39/527859439.db2.gz UMIKZBLKARVLLQ-GOSISDBHSA-N 1 0 341.411 3.246 20 5 EGBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000187850637 527896386 /nfs/dbraw/zinc/89/63/86/527896386.db2.gz QXRJMPFNQRUANT-CVEARBPZSA-N 1 0 345.443 3.417 20 5 EGBDRO CCOc1ccc([C@@H](C)[NH2+]CCCc2cnn(C)c2)cc1[N+](=O)[O-] ZINC000153507119 528594812 /nfs/dbraw/zinc/59/48/12/528594812.db2.gz MFWCRYUXEBCWRF-CYBMUJFWSA-N 1 0 332.404 3.010 20 5 EGBDRO CCOC[C@H]([NH2+][C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C(C)C ZINC000189818275 528994409 /nfs/dbraw/zinc/99/44/09/528994409.db2.gz PHVUPLFEZGLEOF-WFASDCNBSA-N 1 0 348.403 3.357 20 5 EGBDRO CCC[C@@H]([NH2+]CCNC(=O)c1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000178491208 529007849 /nfs/dbraw/zinc/00/78/49/529007849.db2.gz RNEXVNAYYWKTRT-OAHLLOKOSA-N 1 0 331.372 3.049 20 5 EGBDRO CCC[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000178182462 529014458 /nfs/dbraw/zinc/01/44/58/529014458.db2.gz HBBMVDPQYXNGKN-QGZVFWFLSA-N 1 0 327.384 3.325 20 5 EGBDRO CC(C)c1ccc(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000188119279 535370501 /nfs/dbraw/zinc/37/05/01/535370501.db2.gz LASVFUSFWUMGPF-HNNXBMFYSA-N 1 0 331.416 3.029 20 5 EGBDRO CCOc1ccc(C[N@H+](CCn2cc([N+](=O)[O-])cn2)C(C)C)cc1 ZINC000350682470 535717130 /nfs/dbraw/zinc/71/71/30/535717130.db2.gz CDOVTDJNXVCXOT-UHFFFAOYSA-N 1 0 332.404 3.101 20 5 EGBDRO Cc1c(CC(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000162762605 546967785 /nfs/dbraw/zinc/96/77/85/546967785.db2.gz KQOWHFGDRLMWPA-CQSZACIVSA-N 1 0 347.459 3.072 20 5 EGBDRO C[C@H]([NH2+]CC(=O)N(C)C1CCC(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000180450670 547056597 /nfs/dbraw/zinc/05/65/97/547056597.db2.gz JENNURCDKRVXSQ-BBBYJDLNSA-N 1 0 333.432 3.283 20 5 EGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CCN1CCc2ccccc21 ZINC000740003919 574609219 /nfs/dbraw/zinc/60/92/19/574609219.db2.gz CDCITTSJPAJUEQ-UHFFFAOYSA-N 1 0 331.803 3.401 20 5 EGBDRO Cc1cc(NC(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000352881684 576111849 /nfs/dbraw/zinc/11/18/49/576111849.db2.gz DSTCYROAZWVZEC-TZMCWYRMSA-N 1 0 334.420 3.145 20 5 EGBDRO C[N@H+](CCCNc1nc2ccccn2c1[N+](=O)[O-])Cc1ccccc1 ZINC000743584303 576812624 /nfs/dbraw/zinc/81/26/24/576812624.db2.gz WDHDGOQGSMXHOB-UHFFFAOYSA-N 1 0 339.399 3.177 20 5 EGBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000585089736 1298027511 /nfs/dbraw/zinc/02/75/11/1298027511.db2.gz AUFVXUCRYPZHFT-UHFFFAOYSA-N 1 0 345.374 3.399 20 5 EGBDRO C[NH+](C)Cc1ccccc1CNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000006992401 1291056532 /nfs/dbraw/zinc/05/65/32/1291056532.db2.gz WTPCOPKGEAGYDH-UHFFFAOYSA-N 1 0 347.802 3.240 20 5 EGBDRO C[N@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C(C1CC1)C1CC1 ZINC000050989627 1291661545 /nfs/dbraw/zinc/66/15/45/1291661545.db2.gz ROWZFPDBGYUKKH-UHFFFAOYSA-N 1 0 337.807 3.307 20 5 EGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@]1(O)CCc2ccccc21 ZINC000090779756 1292805966 /nfs/dbraw/zinc/80/59/66/1292805966.db2.gz WPGTZEFOHLOAPG-MGPUTAFESA-N 1 0 340.423 3.340 20 5 EGBDRO COc1ccccc1OCC[N@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000091899831 1292847628 /nfs/dbraw/zinc/84/76/28/1292847628.db2.gz FQOKENMGJVYYHD-UHFFFAOYSA-N 1 0 330.384 3.423 20 5 EGBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000832273092 1292979494 /nfs/dbraw/zinc/97/94/94/1292979494.db2.gz PQJLPENXCHCKFU-NSHDSACASA-N 1 0 327.812 3.098 20 5 EGBDRO O=C(O[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000117094609 1293216527 /nfs/dbraw/zinc/21/65/27/1293216527.db2.gz ABPVCMOJIFQGQP-QGZVFWFLSA-N 1 0 326.352 3.026 20 5 EGBDRO CC(C)CCOCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000119561978 1293277477 /nfs/dbraw/zinc/27/74/77/1293277477.db2.gz HGBIXQYBMGTTFQ-UHFFFAOYSA-N 1 0 335.448 3.216 20 5 EGBDRO CCOCC[N@H+](CC)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000123016054 1293431880 /nfs/dbraw/zinc/43/18/80/1293431880.db2.gz DLNZLCBADBXNFV-UHFFFAOYSA-N 1 0 331.210 3.216 20 5 EGBDRO NC(=O)CC[N@H+](Cc1ccccc1)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000153076178 1293998081 /nfs/dbraw/zinc/99/80/81/1293998081.db2.gz IISQNTFJRVPPML-UHFFFAOYSA-N 1 0 347.802 3.126 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCc2c[nH]nc2C1 ZINC000872043673 1296691863 /nfs/dbraw/zinc/69/18/63/1296691863.db2.gz KHVGRWQSLLFGBS-JQWIXIFHSA-N 1 0 332.429 3.248 20 5 EGBDRO CCO[C@@H]1COCC[C@@H]1[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872062391 1296709379 /nfs/dbraw/zinc/70/93/79/1296709379.db2.gz MKQMWIBPHRYRKM-TUKIKUTGSA-N 1 0 340.445 3.161 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCN(CC(F)F)C1 ZINC000872079566 1296723100 /nfs/dbraw/zinc/72/31/00/1296723100.db2.gz IZOLUWZYHHVPFP-WDEREUQCSA-N 1 0 345.415 3.307 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000873081547 1297263681 /nfs/dbraw/zinc/26/36/81/1297263681.db2.gz JUPAEHBQTQDFND-PBHICJAKSA-N 1 0 336.457 3.356 20 5 EGBDRO CNC(=O)CC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)CCCCC1 ZINC000873138960 1297294211 /nfs/dbraw/zinc/29/42/11/1297294211.db2.gz PLLDODVBAHZPFI-UHFFFAOYSA-N 1 0 333.432 3.079 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000873923560 1297727395 /nfs/dbraw/zinc/72/73/95/1297727395.db2.gz ZILYXSQODLTFQY-UHFFFAOYSA-N 1 0 341.411 3.203 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000874248648 1297832131 /nfs/dbraw/zinc/83/21/31/1297832131.db2.gz DFKIQEKMHFZHLQ-UHFFFAOYSA-N 1 0 333.432 3.158 20 5 EGBDRO CC(C)C[N@H+](Cn1c2cc([N+](=O)[O-])ccc2oc1=O)C1CCCC1 ZINC000746056287 1298521134 /nfs/dbraw/zinc/52/11/34/1298521134.db2.gz YDQQNFWQJGGLMZ-UHFFFAOYSA-N 1 0 333.388 3.361 20 5 EGBDRO C[N@H+](CC1CC1)C[C@H]1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000746668209 1298638458 /nfs/dbraw/zinc/63/84/58/1298638458.db2.gz NTGZREWHGCTSFO-CQSZACIVSA-N 1 0 337.851 3.412 20 5 EGBDRO CCC[N@H+](CC)CCNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000746716021 1298648103 /nfs/dbraw/zinc/64/81/03/1298648103.db2.gz LETKEBHFPIRWPA-UHFFFAOYSA-N 1 0 328.800 3.102 20 5 EGBDRO Cc1cc(NC[C@@]2([NH+](C)C)CCSC2)c(Cl)cc1[N+](=O)[O-] ZINC000748284251 1298975576 /nfs/dbraw/zinc/97/55/76/1298975576.db2.gz XJQAJSYHSFZTTK-AWEZNQCLSA-N 1 0 329.853 3.406 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CCC(N(C)CC(F)F)CC1 ZINC000876776731 1298980500 /nfs/dbraw/zinc/98/05/00/1298980500.db2.gz PVMNZELVNIMXNV-UHFFFAOYSA-N 1 0 341.402 3.373 20 5 EGBDRO COC(=O)Nc1ccc(CC[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000877061733 1299139850 /nfs/dbraw/zinc/13/98/50/1299139850.db2.gz REOMGPUVEQAEFA-UHFFFAOYSA-N 1 0 343.383 3.148 20 5 EGBDRO C[C@](O)(C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccco1 ZINC000877072416 1299144306 /nfs/dbraw/zinc/14/43/06/1299144306.db2.gz LZWWKHJDYOSBAQ-AWEZNQCLSA-N 1 0 344.289 3.204 20 5 EGBDRO CCOc1cc(NC2CC[NH+](C[C@H]3CCCO3)CC2)ccc1[N+](=O)[O-] ZINC000749267920 1299181846 /nfs/dbraw/zinc/18/18/46/1299181846.db2.gz APQDXTCFZKNWRB-MRXNPFEDSA-N 1 0 349.431 3.049 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCOc3ccccc3)CC2)cc1 ZINC000750171127 1299351677 /nfs/dbraw/zinc/35/16/77/1299351677.db2.gz HANQHHAVSPUMCX-UHFFFAOYSA-N 1 0 341.411 3.232 20 5 EGBDRO CCC1(CC)CC[N@H+](CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)C1 ZINC000752794202 1299795978 /nfs/dbraw/zinc/79/59/78/1299795978.db2.gz WTOVTNLRXKUUNB-UHFFFAOYSA-N 1 0 346.431 3.306 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)s1 ZINC000754667725 1300186900 /nfs/dbraw/zinc/18/69/00/1300186900.db2.gz AQLOXEBLPJRHFA-DOMZBBRYSA-N 1 0 345.424 3.421 20 5 EGBDRO CSc1ccc(C(=O)OCC[C@H]2CCCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000759964380 1301198609 /nfs/dbraw/zinc/19/86/09/1301198609.db2.gz XRECHOJDISWYGE-CYBMUJFWSA-N 1 0 338.429 3.348 20 5 EGBDRO COc1ccc2c(c1)OC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)C2 ZINC000761525251 1301490212 /nfs/dbraw/zinc/49/02/12/1301490212.db2.gz DUSRNCUXVGXOIE-CYBMUJFWSA-N 1 0 348.786 3.350 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1-c1noc(CCCC[NH+]2CCCC2)n1 ZINC000762072066 1301608749 /nfs/dbraw/zinc/60/87/49/1301608749.db2.gz SAWZEEBQZDQNNK-UHFFFAOYSA-N 1 0 330.388 3.372 20 5 EGBDRO O=[N+]([O-])c1c(F)nccc1NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000881824934 1301732597 /nfs/dbraw/zinc/73/25/97/1301732597.db2.gz ANLGPGBHEMSBCS-UHFFFAOYSA-N 1 0 348.353 3.345 20 5 EGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCc1ccnn1C ZINC000762779528 1301746518 /nfs/dbraw/zinc/74/65/18/1301746518.db2.gz ZOOQLMKDHQKXGJ-CYBMUJFWSA-N 1 0 334.445 3.031 20 5 EGBDRO O=[N+]([O-])c1c(F)nccc1N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000882126750 1301840529 /nfs/dbraw/zinc/84/05/29/1301840529.db2.gz FQNZDFHEUOHHFB-UHFFFAOYSA-N 1 0 336.411 3.221 20 5 EGBDRO C[NH+](C)CCc1ccc(NC(=O)c2cc(F)c([N+](=O)[O-])cc2F)cc1 ZINC000763449218 1301905845 /nfs/dbraw/zinc/90/58/45/1301905845.db2.gz APDKSNCERYYZCL-UHFFFAOYSA-N 1 0 349.337 3.229 20 5 EGBDRO Cc1nn(CN2CCC[N@@H+](C(C)(C)C)CC2)c2ccc([N+](=O)[O-])cc12 ZINC000764947033 1302173574 /nfs/dbraw/zinc/17/35/74/1302173574.db2.gz NWMOVRNKSYZOFI-UHFFFAOYSA-N 1 0 345.447 3.017 20 5 EGBDRO C[C@@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)N1CCCCC1 ZINC000765254624 1302229307 /nfs/dbraw/zinc/22/93/07/1302229307.db2.gz ZPAIGMLDPCFAAS-INIZCTEOSA-N 1 0 346.475 3.028 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)COc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000765289704 1302239261 /nfs/dbraw/zinc/23/92/61/1302239261.db2.gz NAHTWHGYRLCHGE-CZUORRHYSA-N 1 0 348.374 3.133 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@H](Cc2ccccc2)C2CC2)cc1 ZINC000765845205 1302338213 /nfs/dbraw/zinc/33/82/13/1302338213.db2.gz NNEKMLIAAYIUCJ-MOPGFXCFSA-N 1 0 326.396 3.239 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H]2CCSc3ccccc32)cc1 ZINC000765846175 1302338908 /nfs/dbraw/zinc/33/89/08/1302338908.db2.gz UNZWCWOVXUZXSS-CVEARBPZSA-N 1 0 330.409 3.455 20 5 EGBDRO CC[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(OC)cc1 ZINC000765850298 1302340372 /nfs/dbraw/zinc/34/03/72/1302340372.db2.gz WXLKAGREZSOPAD-ZWKOTPCHSA-N 1 0 330.384 3.378 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C1CCN(C[C@@H]2CCCO2)CC1 ZINC000765977680 1302363776 /nfs/dbraw/zinc/36/37/76/1302363776.db2.gz RWZITGDAQHXARU-QAPCUYQASA-N 1 0 347.459 3.197 20 5 EGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CC2CCC3(CC2)OCCO3)c1 ZINC000766225395 1302413155 /nfs/dbraw/zinc/41/31/55/1302413155.db2.gz OZUFQFCZIOSEKT-UHFFFAOYSA-N 1 0 340.807 3.271 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)OCC[N@@H+](C)Cc2ccc(F)cc2)c1 ZINC000769111591 1303049119 /nfs/dbraw/zinc/04/91/19/1303049119.db2.gz GGYNTIOFDUIXLC-UHFFFAOYSA-N 1 0 346.358 3.331 20 5 EGBDRO O=[N+]([O-])c1ncccc1C[NH2+][C@@H]1c2ccccc2CC12CCOCC2 ZINC000886211150 1303394718 /nfs/dbraw/zinc/39/47/18/1303394718.db2.gz KADRUHMMPKRTBZ-QGZVFWFLSA-N 1 0 339.395 3.174 20 5 EGBDRO O=[N+]([O-])c1ncccc1C[NH2+]C1(Cc2cccc(F)c2)CCOCC1 ZINC000886217613 1303399040 /nfs/dbraw/zinc/39/90/40/1303399040.db2.gz DIADBPSUFXVUBP-UHFFFAOYSA-N 1 0 345.374 3.010 20 5 EGBDRO CC(C)[C@@H]1C[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCO1 ZINC000772472753 1303537768 /nfs/dbraw/zinc/53/77/68/1303537768.db2.gz LZFLIIKIQOIMQG-LPHOPBHVSA-N 1 0 347.459 3.357 20 5 EGBDRO COc1ccc([C@@H]2CCC[N@@H+]2C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000776274009 1304125451 /nfs/dbraw/zinc/12/54/51/1304125451.db2.gz FZGOPGOJPHIOCF-OALUTQOASA-N 1 0 342.395 3.474 20 5 EGBDRO C[N@H+](CCCOc1ccccc1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776275988 1304126651 /nfs/dbraw/zinc/12/66/51/1304126651.db2.gz JJWYHHJZTCYSBE-SFHVURJKSA-N 1 0 330.384 3.029 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC[N@@H+](C)Cc2ccccc2)c1C ZINC000888375245 1304139730 /nfs/dbraw/zinc/13/97/30/1304139730.db2.gz PYLLERNHJNCICK-UHFFFAOYSA-N 1 0 341.411 3.073 20 5 EGBDRO Cc1nc(C)c([C@@H](C)[N@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000776583197 1304174493 /nfs/dbraw/zinc/17/44/93/1304174493.db2.gz ZBHZPLLHBOIUMW-IAQYHMDHSA-N 1 0 335.429 3.395 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CC[C@H](c3cccc(F)c3)C2)cc1 ZINC000776581640 1304175414 /nfs/dbraw/zinc/17/54/14/1304175414.db2.gz FQKXCCNMNQDTSR-MAUKXSAKSA-N 1 0 330.359 3.257 20 5 EGBDRO Cc1cccnc1[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000776592327 1304177884 /nfs/dbraw/zinc/17/78/84/1304177884.db2.gz LCODBRAAZWKSGD-IAGOWNOFSA-N 1 0 329.400 3.319 20 5 EGBDRO CC[C@](C)([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1nc(C)cs1 ZINC000776591921 1304178057 /nfs/dbraw/zinc/17/80/57/1304178057.db2.gz RXXZSFUICNUKDO-HOCLYGCPSA-N 1 0 335.429 3.308 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000777438055 1304296014 /nfs/dbraw/zinc/29/60/14/1304296014.db2.gz KQZHUWOFFVGWMA-SIEMBAAWSA-N 1 0 342.370 3.341 20 5 EGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000777729151 1304340280 /nfs/dbraw/zinc/34/02/80/1304340280.db2.gz FWYFPZAHGHNJNG-FZKQIMNGSA-N 1 0 330.359 3.388 20 5 EGBDRO CC[C@H](CSC)[N@H+](C)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000777957269 1304372621 /nfs/dbraw/zinc/37/26/21/1304372621.db2.gz DWCCHLSVKSWJBC-OAHLLOKOSA-N 1 0 334.445 3.489 20 5 EGBDRO CC(C)(C(=O)N1CCC([NH2+]C2CCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000889833245 1304600673 /nfs/dbraw/zinc/60/06/73/1304600673.db2.gz XZVUGUGZPRDPSD-UHFFFAOYSA-N 1 0 345.443 3.006 20 5 EGBDRO O=C(OCc1ccc(Cl)c([N+](=O)[O-])c1)C1CC[NH+](C2CC2)CC1 ZINC000783585808 1305112127 /nfs/dbraw/zinc/11/21/27/1305112127.db2.gz ZYVDERIIONMISG-UHFFFAOYSA-N 1 0 338.791 3.166 20 5 EGBDRO CC[C@](C)([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000784264723 1305217587 /nfs/dbraw/zinc/21/75/87/1305217587.db2.gz DGPLHYHGBIBPCY-APWZRJJASA-N 1 0 344.411 3.250 20 5 EGBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000892113658 1305253320 /nfs/dbraw/zinc/25/33/20/1305253320.db2.gz ZYWREDYDWCSHOH-GJZGRUSLSA-N 1 0 348.447 3.029 20 5 EGBDRO O=C1CCCCCN1CCC[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000892440862 1305374827 /nfs/dbraw/zinc/37/48/27/1305374827.db2.gz IJDKLZWFHHZUSV-UHFFFAOYSA-N 1 0 339.823 3.131 20 5 EGBDRO COc1c(O)ccc(C[NH2+][C@H]2CCc3c2cccc3C)c1[N+](=O)[O-] ZINC000892921530 1305609750 /nfs/dbraw/zinc/60/97/50/1305609750.db2.gz VKBABPXIXNPROU-HNNXBMFYSA-N 1 0 328.368 3.395 20 5 EGBDRO C[C@@H]1C[C@H](CCNc2c([N+](=O)[O-])cnn2C)C[N@@H+]1Cc1ccccc1 ZINC000892956968 1305626786 /nfs/dbraw/zinc/62/67/86/1305626786.db2.gz ZPRNVFGABBBLED-ZBFHGGJFSA-N 1 0 343.431 3.041 20 5 EGBDRO COc1ccc([C@H](O)C[NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)cc1 ZINC000786807997 1305633583 /nfs/dbraw/zinc/63/35/83/1305633583.db2.gz GVFNEFFBOFMGEE-NRJHKNTJSA-N 1 0 342.395 3.330 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@H]1CCO[C@@]2(CCSC2)C1 ZINC000893133849 1305726254 /nfs/dbraw/zinc/72/62/54/1305726254.db2.gz GINMRDVXNSIUHR-ZFWWWQNUSA-N 1 0 342.848 3.393 20 5 EGBDRO CCOC(=O)N[C@@H]1CCC[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000787406167 1305741312 /nfs/dbraw/zinc/74/13/12/1305741312.db2.gz GKEPSJURKVLCQQ-SCOADAFUSA-N 1 0 347.415 3.209 20 5 EGBDRO COc1ccc(C)cc1CC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788505003 1305959239 /nfs/dbraw/zinc/95/92/39/1305959239.db2.gz IKYDQWQGSYZBCY-ZDUSSCGKSA-N 1 0 329.400 3.387 20 5 EGBDRO C[C@@H](C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)N1CCc2ccccc21 ZINC000788574418 1305973707 /nfs/dbraw/zinc/97/37/07/1305973707.db2.gz TUQGIAQWOHCMAY-KBPBESRZSA-N 1 0 340.427 3.279 20 5 EGBDRO COc1cccc(OCCC[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000788664810 1305992183 /nfs/dbraw/zinc/99/21/83/1305992183.db2.gz LAEZJIYIVCHIRK-CYBMUJFWSA-N 1 0 345.399 3.305 20 5 EGBDRO COc1c(O)ccc(C[NH2+][C@@H](CC(F)(F)F)C(C)C)c1[N+](=O)[O-] ZINC000893895904 1306119607 /nfs/dbraw/zinc/11/96/07/1306119607.db2.gz UDJGFDSYGONGRR-JTQLQIEISA-N 1 0 336.310 3.376 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2cnn(C[N@@H+]3CCC[C@H]3[C@@H]3CCCO3)c2)cc1 ZINC000789507349 1306174132 /nfs/dbraw/zinc/17/41/32/1306174132.db2.gz OSNLLKZRLLICKL-ROUUACIJSA-N 1 0 342.399 3.059 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2cnn(C[N@@H+]3CCC[C@H]3[C@@H]3CCCO3)c2)c1 ZINC000789508692 1306175504 /nfs/dbraw/zinc/17/55/04/1306175504.db2.gz RGJBDDVUNWCJCI-ROUUACIJSA-N 1 0 342.399 3.059 20 5 EGBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000790605370 1306359979 /nfs/dbraw/zinc/35/99/79/1306359979.db2.gz RRTJHXVWCCUCMR-CQSZACIVSA-N 1 0 336.461 3.002 20 5 EGBDRO CCOC(=O)NC1CCC([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000790746768 1308858607 /nfs/dbraw/zinc/85/86/07/1308858607.db2.gz LWGXWHXHCSLGMS-LRVUVFPRSA-N 1 0 335.404 3.303 20 5 EGBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C/C=C/c3cccc(F)c3)CC2)n1 ZINC000894580241 1308964894 /nfs/dbraw/zinc/96/48/94/1308964894.db2.gz RTXUDFGVKZUHAT-DUXPYHPUSA-N 1 0 330.363 3.281 20 5 EGBDRO O=C(OCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc2c[nH+]cn2c1 ZINC000792563847 1309189142 /nfs/dbraw/zinc/18/91/42/1309189142.db2.gz DROCDWDCNBGTRE-UHFFFAOYSA-N 1 0 331.715 3.253 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](c2cccs2)[NH+](C)C)c1C ZINC000895463960 1309351798 /nfs/dbraw/zinc/35/17/98/1309351798.db2.gz JKQMVLZJFSIEMY-CQSZACIVSA-N 1 0 347.440 3.306 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C[C@@H]1CCCN1CC(F)F ZINC000895572631 1309407716 /nfs/dbraw/zinc/40/77/16/1309407716.db2.gz ADGOPKRNBSKAAL-LBPRGKRZSA-N 1 0 333.766 3.067 20 5 EGBDRO CC(C)[N@@H+]1CCCN(c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000798392788 1310353720 /nfs/dbraw/zinc/35/37/20/1310353720.db2.gz VBCKENQAJSKLFF-UHFFFAOYSA-N 1 0 342.237 3.278 20 5 EGBDRO CN(CCC[NH+]1CCCC1)c1cc(Br)ccc1[N+](=O)[O-] ZINC000798404670 1310356444 /nfs/dbraw/zinc/35/64/44/1310356444.db2.gz RGKCKUBLJABBNR-UHFFFAOYSA-N 1 0 342.237 3.279 20 5 EGBDRO CC[NH+](CC)CCCOC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000800200980 1310701259 /nfs/dbraw/zinc/70/12/59/1310701259.db2.gz SLMDWVJOCUAPSL-LBPRGKRZSA-N 1 0 326.368 3.113 20 5 EGBDRO Nc1ccc([N+](=O)[O-])c(N2CCC(C[NH+]3CCCCCC3)CC2)c1 ZINC000800847067 1310818633 /nfs/dbraw/zinc/81/86/33/1310818633.db2.gz KXMYCJFERMEDDP-UHFFFAOYSA-N 1 0 332.448 3.269 20 5 EGBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2cc(N)ccc2[N+](=O)[O-])C1 ZINC000800847596 1310819060 /nfs/dbraw/zinc/81/90/60/1310819060.db2.gz JHZZDVUMBAKDHR-CZUORRHYSA-N 1 0 326.400 3.424 20 5 EGBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000801602246 1310972876 /nfs/dbraw/zinc/97/28/76/1310972876.db2.gz YHVWLEJJOGQTOD-UHFFFAOYSA-N 1 0 333.319 3.317 20 5 EGBDRO CC(C)(CNC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000929350433 1328576894 /nfs/dbraw/zinc/57/68/94/1328576894.db2.gz QRYLPCDDIPIYBA-IAGOWNOFSA-N 1 0 345.443 3.079 20 5 EGBDRO CC(C)(CNC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000929350438 1328577186 /nfs/dbraw/zinc/57/71/86/1328577186.db2.gz QRYLPCDDIPIYBA-SJORKVTESA-N 1 0 345.443 3.079 20 5 EGBDRO Cc1ccc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000802657948 1317023882 /nfs/dbraw/zinc/02/38/82/1317023882.db2.gz GATKQJOJNWWGDW-UHFFFAOYSA-N 1 0 329.356 3.486 20 5 EGBDRO COc1ccc2c(c1)[C@@H](N(CC[N+](=O)[O-])Cc1ccccc1)CCO2 ZINC000929712181 1328675624 /nfs/dbraw/zinc/67/56/24/1328675624.db2.gz UGXKIXLHDYJNHG-SFHVURJKSA-N 1 0 342.395 3.298 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H]2C[C@H]2c2nc(C3C[C@H]4CC[C@@H](C3)[NH2+]4)no2)c1 ZINC000900016931 1317217842 /nfs/dbraw/zinc/21/78/42/1317217842.db2.gz TZLKUMLXUDCXOA-GJRKROPISA-N 1 0 340.383 3.247 20 5 EGBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])C1 ZINC000804357292 1317223062 /nfs/dbraw/zinc/22/30/62/1317223062.db2.gz CQMUOZZNHSOVHF-HZSPNIEDSA-N 1 0 348.403 3.345 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@H]3CCCSC3)CC2)cc1 ZINC000806177491 1317468931 /nfs/dbraw/zinc/46/89/31/1317468931.db2.gz BGQVIHZUBMAYKP-CQSZACIVSA-N 1 0 335.473 3.296 20 5 EGBDRO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])C1(NC(=O)OC(C)(C)C)CC1 ZINC000903112171 1317656267 /nfs/dbraw/zinc/65/62/67/1317656267.db2.gz FOWDAMSLRLIYEW-LBPRGKRZSA-N 1 0 335.404 3.130 20 5 EGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1cnn(CC2CCC2)c1 ZINC000903240071 1317679863 /nfs/dbraw/zinc/67/98/63/1317679863.db2.gz NZBCDJXILDKPQG-CYBMUJFWSA-N 1 0 346.406 3.451 20 5 EGBDRO C[C@@](O)(C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1cccc(F)c1 ZINC000903310149 1317686402 /nfs/dbraw/zinc/68/64/02/1317686402.db2.gz XVQJSFRMFKJTPP-FUHWJXTLSA-N 1 0 330.359 3.219 20 5 EGBDRO CCc1ccc([C@H]([NH2+]C[C@H]2CCN2C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000903319473 1317687287 /nfs/dbraw/zinc/68/72/87/1317687287.db2.gz ZVPAIYXTPPDKMN-CRAIPNDOSA-N 1 0 329.400 3.133 20 5 EGBDRO C[NH+](C)CCN(CCc1ccccc1)Cc1csc([N+](=O)[O-])c1 ZINC000809730955 1317882289 /nfs/dbraw/zinc/88/22/89/1317882289.db2.gz LRPCEVVPVSRBSK-UHFFFAOYSA-N 1 0 333.457 3.263 20 5 EGBDRO C[NH+](C)CCN(Cc1ccco1)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809745878 1317887516 /nfs/dbraw/zinc/88/75/16/1317887516.db2.gz IKUNRJKSIBFKPX-UHFFFAOYSA-N 1 0 337.807 3.405 20 5 EGBDRO CC(C)CN(CC[NH+](C)C)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000809912262 1317916696 /nfs/dbraw/zinc/91/66/96/1317916696.db2.gz BPCJUYHIADCHES-UHFFFAOYSA-N 1 0 342.827 3.300 20 5 EGBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000809921617 1317917979 /nfs/dbraw/zinc/91/79/79/1317917979.db2.gz HWCFQUMAZGKOTF-LLVKDONJSA-N 1 0 340.811 3.100 20 5 EGBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809970122 1317927553 /nfs/dbraw/zinc/92/75/53/1317927553.db2.gz ODAGNZSQDFSRIW-NXEZZACHSA-N 1 0 332.231 3.426 20 5 EGBDRO CC[N@@H+]1CCN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000810016810 1317936421 /nfs/dbraw/zinc/93/64/21/1317936421.db2.gz AWRHHEKJOCPWKK-JTQLQIEISA-N 1 0 332.231 3.428 20 5 EGBDRO O=[N+]([O-])CC[NH2+]C[C@H](OCc1ccccc1)c1ccc(Cl)cc1 ZINC000905263970 1317942668 /nfs/dbraw/zinc/94/26/68/1317942668.db2.gz SRPMRONUCGLASU-KRWDZBQOSA-N 1 0 334.803 3.464 20 5 EGBDRO O=[N+]([O-])CC[NH2+]C[C@@H](OCc1ccccc1)c1ccc(Cl)cc1 ZINC000905263971 1317943044 /nfs/dbraw/zinc/94/30/44/1317943044.db2.gz SRPMRONUCGLASU-QGZVFWFLSA-N 1 0 334.803 3.464 20 5 EGBDRO CC(C)(C(=O)O[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000810845794 1318063659 /nfs/dbraw/zinc/06/36/59/1318063659.db2.gz VSTTUARFWBHSRD-JKSUJKDBSA-N 1 0 332.400 3.042 20 5 EGBDRO C[C@H]1C[C@H](Nc2cc(Br)ccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000811811899 1318272357 /nfs/dbraw/zinc/27/23/57/1318272357.db2.gz HWQUGPDZEGUUNJ-ONGXEEELSA-N 1 0 340.221 3.394 20 5 EGBDRO Cn1ncc2ccc(C[NH2+]Cc3cc(Cl)ccc3[N+](=O)[O-])cc21 ZINC000812771392 1318451380 /nfs/dbraw/zinc/45/13/80/1318451380.db2.gz RUMIVWHOVUQIBM-UHFFFAOYSA-N 1 0 330.775 3.425 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C[NH+](C)C)cc1C ZINC000909616881 1318504200 /nfs/dbraw/zinc/50/42/00/1318504200.db2.gz OXWMASXSKXTTIQ-UHFFFAOYSA-N 1 0 343.383 3.226 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1[C@H](C)C[NH+](C)C ZINC000912812082 1318938350 /nfs/dbraw/zinc/93/83/50/1318938350.db2.gz RHVYBEOLTYNEQX-RHSMWYFYSA-N 1 0 333.432 3.096 20 5 EGBDRO C[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815568679 1319018128 /nfs/dbraw/zinc/01/81/28/1319018128.db2.gz QCKCXGXPLZNCCT-JTQLQIEISA-N 1 0 348.790 3.120 20 5 EGBDRO CCOc1cccc(CC[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000815597497 1319024776 /nfs/dbraw/zinc/02/47/76/1319024776.db2.gz XBPSDZRVMZQKQI-ZDUSSCGKSA-N 1 0 329.400 3.469 20 5 EGBDRO C[C@H]([NH2+][C@H]1CCOc2ccc(F)cc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815592863 1319024831 /nfs/dbraw/zinc/02/48/31/1319024831.db2.gz VAGXQECNQFAJKN-BONVTDFDSA-N 1 0 331.347 3.491 20 5 EGBDRO C[C@H]([NH2+]C[C@H](CO)c1ccc(Cl)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815626896 1319031216 /nfs/dbraw/zinc/03/12/16/1319031216.db2.gz OETIJUCFRVIADD-SMDDNHRTSA-N 1 0 349.818 3.257 20 5 EGBDRO COC(=O)Nc1cccc(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000815626246 1319032006 /nfs/dbraw/zinc/03/20/06/1319032006.db2.gz ZHEVLPQAYIYNOU-NSHDSACASA-N 1 0 344.371 3.206 20 5 EGBDRO C[C@@H]1CC[N@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=O)[C@H]2CCCC[C@@H]12 ZINC000915209359 1319443473 /nfs/dbraw/zinc/44/34/73/1319443473.db2.gz LRFIWHBUDLDVTI-SNPRPXQTSA-N 1 0 345.399 3.361 20 5 EGBDRO C[C@@H]([NH2+][C@H]1CCCc2cc(N)ccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817968747 1319480987 /nfs/dbraw/zinc/48/09/87/1319480987.db2.gz WZXXQVFEGURBCF-DIFFPNOSSA-N 1 0 326.400 3.487 20 5 EGBDRO CCN(CC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1cccc(C)c1 ZINC000818941410 1319582107 /nfs/dbraw/zinc/58/21/07/1319582107.db2.gz UWAQSCSMSIQATJ-LJQANCHMSA-N 1 0 343.427 3.053 20 5 EGBDRO Cc1ccc(C[C@H](C)[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000819042676 1319620159 /nfs/dbraw/zinc/62/01/59/1319620159.db2.gz RABGAXWOWVWIOB-HNAYVOBHSA-N 1 0 328.412 3.466 20 5 EGBDRO CC[C@@H](C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)Oc1cccc(C)c1 ZINC000819136985 1319644342 /nfs/dbraw/zinc/64/43/42/1319644342.db2.gz SDOIESPIJAUOOT-HKUYNNGSSA-N 1 0 344.411 3.384 20 5 EGBDRO CO[C@H](c1ccccc1F)[C@H](C)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819210334 1319669671 /nfs/dbraw/zinc/66/96/71/1319669671.db2.gz UUMKLQYFHIGENR-IGNZVWTISA-N 1 0 348.374 3.133 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2C[C@H]2c2c(F)cccc2F)cc1 ZINC000819281712 1319688074 /nfs/dbraw/zinc/68/80/74/1319688074.db2.gz MKBGHHDWBBHNMV-DAXOMENPSA-N 1 0 334.322 3.052 20 5 EGBDRO C[C@H](CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[N@@H+]1CCCC[C@@H]1C ZINC000918610814 1319979858 /nfs/dbraw/zinc/97/98/58/1319979858.db2.gz MNHPDSRCEKIPKE-NWDGAFQWSA-N 1 0 339.823 3.241 20 5 EGBDRO Cc1ccc(-c2noc([C@@H]3C[C@H]3C3CC[NH2+]CC3)n2)cc1[N+](=O)[O-] ZINC000822723006 1320117929 /nfs/dbraw/zinc/11/79/29/1320117929.db2.gz NGKSIYRVCCKCAT-UONOGXRCSA-N 1 0 328.372 3.056 20 5 EGBDRO CCC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)CC1 ZINC000823850441 1320211044 /nfs/dbraw/zinc/21/10/44/1320211044.db2.gz CRIPUJPFIFEUKZ-UHFFFAOYSA-N 1 0 339.823 3.161 20 5 EGBDRO Cc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2F)[NH+](C)C)cc1 ZINC000824244132 1320241986 /nfs/dbraw/zinc/24/19/86/1320241986.db2.gz DVAIQBSTIDKYGD-KRWDZBQOSA-N 1 0 345.374 3.075 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000824376651 1320252356 /nfs/dbraw/zinc/25/23/56/1320252356.db2.gz SGMFLSVAFSJYKI-HUUCEWRRSA-N 1 0 349.456 3.063 20 5 EGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@]3(CCSC3)C2)c([N+](=O)[O-])c1 ZINC000825215875 1320318774 /nfs/dbraw/zinc/31/87/74/1320318774.db2.gz ZZFKPHNPEIEVSF-OAHLLOKOSA-N 1 0 337.401 3.222 20 5 EGBDRO Cc1cc(Cl)c(C(=O)NC[C@H](CC(C)C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000827489528 1320456853 /nfs/dbraw/zinc/45/68/53/1320456853.db2.gz SBJJHQWZNBIAHL-LBPRGKRZSA-N 1 0 341.839 3.263 20 5 EGBDRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000836600191 1320509884 /nfs/dbraw/zinc/50/98/84/1320509884.db2.gz SQEUPSDTHDIRHU-LLVKDONJSA-N 1 0 340.811 3.196 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[N@@H+](C(C)C)C2)cc1Cl ZINC000836785905 1320534671 /nfs/dbraw/zinc/53/46/71/1320534671.db2.gz ZCHYYMIQJLRDQR-LBPRGKRZSA-N 1 0 339.823 3.159 20 5 EGBDRO CC(C)(C)O[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000839675842 1320958477 /nfs/dbraw/zinc/95/84/77/1320958477.db2.gz SLNORBWLMRRXSE-OWCLPIDISA-N 1 0 336.432 3.200 20 5 EGBDRO Cc1nn(C[N@@H+]2CCC[C@H]2[C@H]2CCCOC2)c2cc([N+](=O)[O-])ccc12 ZINC000842619113 1321406832 /nfs/dbraw/zinc/40/68/32/1321406832.db2.gz UDVYAEDBFJSUKH-YOEHRIQHSA-N 1 0 344.415 3.101 20 5 EGBDRO Cc1nn(C[N@@H+]2CC[C@H](c3cccnc3)C2)c2cc([N+](=O)[O-])ccc12 ZINC000842623387 1321407708 /nfs/dbraw/zinc/40/77/08/1321407708.db2.gz ATIHXWVIAVTLSS-HNNXBMFYSA-N 1 0 337.383 3.095 20 5 EGBDRO CC(C)CCSc1ccc(-c2nc(CC[NH3+])no2)cc1[N+](=O)[O-] ZINC000843130289 1321475158 /nfs/dbraw/zinc/47/51/58/1321475158.db2.gz FAPKHXRLVVOJRI-UHFFFAOYSA-N 1 0 336.417 3.284 20 5 EGBDRO Cc1ccc(-c2noc(C[C@@H](C)[C@@H]3CCC[NH2+]C3)n2)cc1[N+](=O)[O-] ZINC000843179188 1321483146 /nfs/dbraw/zinc/48/31/46/1321483146.db2.gz ZPGFAFYRFOFEEL-TZMCWYRMSA-N 1 0 330.388 3.131 20 5 EGBDRO C[NH2+][C@H](CC(C)(C)C)c1nc(CCNc2ccccc2[N+](=O)[O-])no1 ZINC000843185396 1321483465 /nfs/dbraw/zinc/48/34/65/1321483465.db2.gz RWSNCUGFOXULDR-CYBMUJFWSA-N 1 0 347.419 3.329 20 5 EGBDRO C[NH2+][C@@H](CC(C)(C)C)c1nc(Cc2ccc([N+](=O)[O-])c(OC)c2)no1 ZINC000843192195 1321484942 /nfs/dbraw/zinc/48/49/42/1321484942.db2.gz SXFCWLWVIZJQJX-LBPRGKRZSA-N 1 0 348.403 3.274 20 5 EGBDRO C[C@@H]1CSCC[N@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C1 ZINC000848485145 1321963324 /nfs/dbraw/zinc/96/33/24/1321963324.db2.gz KBPVYEBLOOTCKE-ZDUSSCGKSA-N 1 0 332.429 3.101 20 5 EGBDRO CC(C)(C)[C@H](Cn1ccnc1)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000848522176 1321968666 /nfs/dbraw/zinc/96/86/66/1321968666.db2.gz VETABKKXRNOCPU-RDJZCZTQSA-N 1 0 328.416 3.483 20 5 EGBDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000848530230 1321970478 /nfs/dbraw/zinc/97/04/78/1321970478.db2.gz CHJDECLROPWGMG-IUODEOHRSA-N 1 0 347.415 3.181 20 5 EGBDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000848530229 1321970552 /nfs/dbraw/zinc/97/05/52/1321970552.db2.gz CHJDECLROPWGMG-DOMZBBRYSA-N 1 0 347.415 3.181 20 5 EGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@@H]1COC2(CCCCC2)O1 ZINC000848537841 1321971656 /nfs/dbraw/zinc/97/16/56/1321971656.db2.gz OQKDLJIVWVELEJ-CZUORRHYSA-N 1 0 332.400 3.248 20 5 EGBDRO COC(=O)Cc1ccccc1C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000848571289 1321977981 /nfs/dbraw/zinc/97/79/81/1321977981.db2.gz FHCRKDSBHXAVAK-CQSZACIVSA-N 1 0 342.395 3.470 20 5 EGBDRO O=C(NCCCCCCC[NH+]1CCCC1)c1csc([N+](=O)[O-])c1 ZINC000921088944 1322253829 /nfs/dbraw/zinc/25/38/29/1322253829.db2.gz UBMXPQKTVWBGNF-UHFFFAOYSA-N 1 0 339.461 3.432 20 5 EGBDRO CN(CCCC[NH+]1CCCCC1)C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000922322693 1322500894 /nfs/dbraw/zinc/50/08/94/1322500894.db2.gz PDPWEKNXRHOMNC-UHFFFAOYSA-N 1 0 337.395 3.072 20 5 EGBDRO C[C@@](O)(C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])c1cccc(F)c1 ZINC000922565226 1322557977 /nfs/dbraw/zinc/55/79/77/1322557977.db2.gz ZTEZETRXWHIHJW-MRXNPFEDSA-N 1 0 338.766 3.385 20 5 EGBDRO C[C@](O)(C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])c1cccc(F)c1 ZINC000922565225 1322558194 /nfs/dbraw/zinc/55/81/94/1322558194.db2.gz ZTEZETRXWHIHJW-INIZCTEOSA-N 1 0 338.766 3.385 20 5 EGBDRO O=[N+]([O-])c1ccc(OCCC[NH+]2CCC(c3ncco3)CC2)cc1 ZINC000931443685 1329118751 /nfs/dbraw/zinc/11/87/51/1329118751.db2.gz ZZNZWZVVPVFUOI-UHFFFAOYSA-N 1 0 331.372 3.231 20 5 EGBDRO CCC[NH+]1CCC(N(C)C(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000925231943 1325089478 /nfs/dbraw/zinc/08/94/78/1325089478.db2.gz GTMUIAKTROECQO-CQSZACIVSA-N 1 0 348.447 3.172 20 5 EGBDRO C[N@H+](C[C@@H]1CC=CCC1)Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853507173 1325108285 /nfs/dbraw/zinc/10/82/85/1325108285.db2.gz UZPYFFHVOUOHNN-CQSZACIVSA-N 1 0 327.388 3.099 20 5 EGBDRO C[C@@H]1C[N@H+](Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)[C@@H]2CCCC[C@@H]21 ZINC000853506526 1325109599 /nfs/dbraw/zinc/10/95/99/1325109599.db2.gz NMRYBOAMJBGJJX-IIAWOOMASA-N 1 0 341.415 3.321 20 5 EGBDRO CC[NH+](CC)[C@H]1CCN(c2cccc(Br)c2[N+](=O)[O-])C1 ZINC000856733086 1325515795 /nfs/dbraw/zinc/51/57/95/1325515795.db2.gz NMHPHIZACOLVOC-NSHDSACASA-N 1 0 342.237 3.278 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCNc1ccc(C)cn1 ZINC000927071157 1327841296 /nfs/dbraw/zinc/84/12/96/1327841296.db2.gz PRGUQQSUXSEVST-ZDUSSCGKSA-N 1 0 330.388 3.070 20 5 EGBDRO CCCN(CCC[NH+](C)C)C(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000861239579 1329400978 /nfs/dbraw/zinc/40/09/78/1329400978.db2.gz JRZXURISBQLDTR-UHFFFAOYSA-N 1 0 327.812 3.052 20 5 EGBDRO Cc1ccc([C@H](CNc2cc(F)c([N+](=O)[O-])cc2CO)[NH+](C)C)cc1 ZINC000865475317 1329702751 /nfs/dbraw/zinc/70/27/51/1329702751.db2.gz KOMRXLOSBGGECI-SFHVURJKSA-N 1 0 347.390 3.249 20 5 EGBDRO CC(C)C[N@@H+]1CCC[C@H](CNc2cc(F)c([N+](=O)[O-])cc2CO)C1 ZINC000865627086 1329722313 /nfs/dbraw/zinc/72/23/13/1329722313.db2.gz BATDAZJQPHYTQQ-CYBMUJFWSA-N 1 0 339.411 3.006 20 5 EGBDRO CC(C)(C)OC(=O)NCC[C@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000932699687 1329835101 /nfs/dbraw/zinc/83/51/01/1329835101.db2.gz LYVMDBKGAUIBNA-AWEZNQCLSA-N 1 0 349.431 3.332 20 5 EGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](Cc2ccccc2)[C@H](O)C1 ZINC000934436965 1329978680 /nfs/dbraw/zinc/97/86/80/1329978680.db2.gz FMKNXFXYHGMHON-IDHHARJASA-N 1 0 326.396 3.191 20 5 EGBDRO CC(=O)Nc1cccc(C[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])c1 ZINC000866232215 1330081523 /nfs/dbraw/zinc/08/15/23/1330081523.db2.gz HRNQLUYRIGMFOM-LBPRGKRZSA-N 1 0 345.374 3.413 20 5 EGBDRO Cc1cccc2nc(C[NH2+][C@H](C)Cc3ccc(F)cc3[N+](=O)[O-])cn21 ZINC000866262172 1330087311 /nfs/dbraw/zinc/08/73/11/1330087311.db2.gz JLQPXFYBYCFKHK-GFCCVEGCSA-N 1 0 342.374 3.411 20 5 EGBDRO Cc1cccc(NCC[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])n1 ZINC000866302975 1330092933 /nfs/dbraw/zinc/09/29/33/1330092933.db2.gz NGCXRDKODNUTIM-ZDUSSCGKSA-N 1 0 332.379 3.070 20 5 EGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC1([C@H](C)CCO)CCC1 ZINC000866316303 1330095645 /nfs/dbraw/zinc/09/56/45/1330095645.db2.gz XYLVEKJREHAQKD-ZIAGYGMSSA-N 1 0 338.423 3.443 20 5 EGBDRO Cc1cccc(C[C@H](CO)[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])c1 ZINC000866345895 1330099669 /nfs/dbraw/zinc/09/96/69/1330099669.db2.gz SUADXYLCHXWBBC-KBXCAEBGSA-N 1 0 346.402 3.167 20 5 EGBDRO Cc1ccc(C[C@H](CO)[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])cc1 ZINC000866347043 1330100085 /nfs/dbraw/zinc/10/00/85/1330100085.db2.gz ZJBRBSVNXKKRBW-KBXCAEBGSA-N 1 0 346.402 3.167 20 5 EGBDRO O=C(N[C@H]1CC[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CC1)c1ccoc1 ZINC001034593027 1342637652 /nfs/dbraw/zinc/63/76/52/1342637652.db2.gz IJVIMBMQCNPDFC-WKILWMFISA-N 1 0 343.383 3.019 20 5 EGBDRO C[C@H](Nc1ccc([N+](=O)[O-])c2nonc21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001323620922 1387409346 /nfs/dbraw/zinc/40/93/46/1387409346.db2.gz IODBLJRTQKRNQC-RYUDHWBXSA-N 1 0 345.403 3.196 20 5 EGBDRO C[NH+]1CCC2(CCCN(c3ccnc4c3cccc4[N+](=O)[O-])C2)CC1 ZINC001324173227 1387550467 /nfs/dbraw/zinc/55/04/67/1387550467.db2.gz BRAZUIHYNMVFAD-UHFFFAOYSA-N 1 0 340.427 3.455 20 5 EGBDRO CC(C)=C(C)CC(=O)N1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001202020059 1369669028 /nfs/dbraw/zinc/66/90/28/1369669028.db2.gz MNFJKCUXLDWWNK-UHFFFAOYSA-N 1 0 345.443 3.422 20 5 EGBDRO CC(C)=C(C)CC(=O)N1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001202019290 1369669268 /nfs/dbraw/zinc/66/92/68/1369669268.db2.gz CVDKQIKXKSVRAH-UHFFFAOYSA-N 1 0 345.443 3.422 20 5 EGBDRO CCCC(=O)NCC1([NH2+]Cc2csc([N+](=O)[O-])c2)CCCCC1 ZINC001115381144 1370419690 /nfs/dbraw/zinc/41/96/90/1370419690.db2.gz FZFRXHBYHSSEDD-UHFFFAOYSA-N 1 0 339.461 3.365 20 5 EGBDRO CC/C=C(/C)C(=O)N1CCC(C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001204661869 1370539168 /nfs/dbraw/zinc/53/91/68/1370539168.db2.gz GELULEKKGLFTEH-UUASQNMZSA-N 1 0 345.443 3.279 20 5 EGBDRO C[NH+](C)[C@H]1CCCC[C@H]1Nc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC001116139371 1370845720 /nfs/dbraw/zinc/84/57/20/1370845720.db2.gz PQYGUQYVRQMBBY-NEPJUHHUSA-N 1 0 329.347 3.481 20 5 EGBDRO O=C(c1ccccc1)N1CCC[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001116449126 1370914378 /nfs/dbraw/zinc/91/43/78/1370914378.db2.gz LBTFTPXNNXUIHV-OAHLLOKOSA-N 1 0 345.424 3.051 20 5 EGBDRO C[C@@H]1CCCN(C(=O)CC[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC001116822000 1370981057 /nfs/dbraw/zinc/98/10/57/1370981057.db2.gz SDALLBKIJBNCSO-RDTXWAMCSA-N 1 0 345.443 3.210 20 5 EGBDRO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC001326085465 1388110826 /nfs/dbraw/zinc/11/08/26/1388110826.db2.gz UHUDVNJHZBYPHS-ZBFHGGJFSA-N 1 0 348.447 3.002 20 5 EGBDRO CC[N@@H+]1CCC[C@@H]1CNc1ncnc2c(Cl)cc([N+](=O)[O-])cc12 ZINC001118517215 1371191812 /nfs/dbraw/zinc/19/18/12/1371191812.db2.gz WDHIINGEYXMHRA-SNVBAGLBSA-N 1 0 335.795 3.088 20 5 EGBDRO CC(C)CC(=O)NC1CC2(C1)CC([NH2+]Cc1ccccc1[N+](=O)[O-])C2 ZINC001120540826 1371603861 /nfs/dbraw/zinc/60/38/61/1371603861.db2.gz XEOIDFPXMKNMRG-UHFFFAOYSA-N 1 0 345.443 3.158 20 5 EGBDRO C[NH+]1CCC(Oc2ccc(Nc3ccc(N)c([N+](=O)[O-])c3)cc2)CC1 ZINC001209938269 1372237176 /nfs/dbraw/zinc/23/71/76/1372237176.db2.gz RPEABJXFMPVJIX-UHFFFAOYSA-N 1 0 342.399 3.394 20 5 EGBDRO C[NH2+]Cc1cccc(-n2c3ccccc3cc3c(=O)c(N)ccc2-3)c1 ZINC001211140999 1372489651 /nfs/dbraw/zinc/48/96/51/1372489651.db2.gz SKKAISNDLALHDX-UHFFFAOYSA-N 1 0 329.403 3.397 20 5 EGBDRO N[C@H]1C[NH2+]C[C@@H]1c1nc(-c2cc3ccccc3c3ccccc23)no1 ZINC001211755549 1372612396 /nfs/dbraw/zinc/61/23/96/1372612396.db2.gz SDQXPXBQEIJGJZ-ROUUACIJSA-N 1 0 330.391 3.057 20 5 EGBDRO Cc1ccc(Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1[N+](=O)[O-] ZINC001213665979 1372942335 /nfs/dbraw/zinc/94/23/35/1372942335.db2.gz VTBNOKYSGFIFBD-UHFFFAOYSA-N 1 0 326.400 3.399 20 5 EGBDRO O=[N+]([O-])c1ccccc1N1CC[C@H](OCCCCC2CC[NH2+]CC2)C1 ZINC001217909562 1373511756 /nfs/dbraw/zinc/51/17/56/1373511756.db2.gz KDRAVKQKGHECNW-KRWDZBQOSA-N 1 0 347.459 3.360 20 5 EGBDRO O=c1oc2cc(O[C@H]3CCC[NH2+]C[C@H]3F)ccc2c2ccccc12 ZINC001217943917 1373514406 /nfs/dbraw/zinc/51/44/06/1373514406.db2.gz CHTYWYOEJRHMGZ-SJORKVTESA-N 1 0 327.355 3.415 20 5 EGBDRO Cc1cc(Br)cc([N+](=O)[O-])c1O[C@H]1CCCC[NH2+]C1 ZINC001217974467 1373523539 /nfs/dbraw/zinc/52/35/39/1373523539.db2.gz NEFHPDVIEUUTEK-NSHDSACASA-N 1 0 329.194 3.187 20 5 EGBDRO Cc1cc(Br)c(O[C@H]2CCCC[NH2+]C2)cc1[N+](=O)[O-] ZINC001217974095 1373523587 /nfs/dbraw/zinc/52/35/87/1373523587.db2.gz MRHWNSYTNVIQTI-JTQLQIEISA-N 1 0 329.194 3.187 20 5 EGBDRO C[C@H](Oc1ccc(Br)cc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC001218002015 1373531424 /nfs/dbraw/zinc/53/14/24/1373531424.db2.gz KKXQAXNUMRXEFU-VIFPVBQESA-N 1 0 329.194 3.124 20 5 EGBDRO C[C@H](Oc1ccc2c(c1)oc1cc(O)ccc1c2=O)C1CC[NH2+]CC1 ZINC001218006426 1373533825 /nfs/dbraw/zinc/53/38/25/1373533825.db2.gz QOSSNXBXHHEMNZ-LBPRGKRZSA-N 1 0 339.391 3.419 20 5 EGBDRO C[C@@H]1CC[NH2+]CC[C@@H]1Oc1ccc([N+](=O)[O-])cc1Br ZINC001218026566 1373541120 /nfs/dbraw/zinc/54/11/20/1373541120.db2.gz IWXHHTYADUWYLP-SKDRFNHKSA-N 1 0 329.194 3.124 20 5 EGBDRO C[C@@H]1CC[NH2+]C[C@H]1Oc1c([N+](=O)[O-])cc(C(C)(C)C)cc1[N+](=O)[O-] ZINC001218043361 1373546471 /nfs/dbraw/zinc/54/64/71/1373546471.db2.gz FZYFIPQGGROBRN-QMTHXVAHSA-N 1 0 337.376 3.177 20 5 EGBDRO Cc1cc(O[C@H]2CC[NH2+][C@@H](C)C2)c([N+](=O)[O-])cc1Br ZINC001218054997 1373548651 /nfs/dbraw/zinc/54/86/51/1373548651.db2.gz GTBKLCIMJHOKRB-UWVGGRQHSA-N 1 0 329.194 3.185 20 5 EGBDRO O=[N+]([O-])c1cc(OC(F)(F)F)ccc1O[C@H]1CCC12CC[NH2+]CC2 ZINC001218079423 1373556088 /nfs/dbraw/zinc/55/60/88/1373556088.db2.gz DVPNGEJZKAHPTJ-ZDUSSCGKSA-N 1 0 346.305 3.404 20 5 EGBDRO O=[N+]([O-])c1cc(O[C@@H]2CCC[C@]23CC[NH2+]C3)ccc1Br ZINC001218091348 1373558301 /nfs/dbraw/zinc/55/83/01/1373558301.db2.gz DICHCVUUTXWUAZ-ZIAGYGMSSA-N 1 0 341.205 3.268 20 5 EGBDRO O=[N+]([O-])c1ccc(O[C@H]2CCC[C@@]23CC[NH2+]C3)cc1Br ZINC001218097275 1373560090 /nfs/dbraw/zinc/56/00/90/1373560090.db2.gz WLARBFKFHLYCSU-KBPBESRZSA-N 1 0 341.205 3.268 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1ccc(O[C@H]2CSC3(C[NH2+]C3)C2)cc1 ZINC001218100654 1373560684 /nfs/dbraw/zinc/56/06/84/1373560684.db2.gz VZQKVYFVRJVDCH-OAHLLOKOSA-N 1 0 342.420 3.488 20 5 EGBDRO CC(C)(C)OC(=O)c1ccc(O[C@@H]2CC[C@]23CC[NH2+]C3)c([N+](=O)[O-])c1 ZINC001218121805 1373565012 /nfs/dbraw/zinc/56/50/12/1373565012.db2.gz CFHPONUTACQGLP-CRAIPNDOSA-N 1 0 348.399 3.071 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCCCC2)cc1O[C@H]1CC[C@]12CC[NH2+]C2 ZINC001218121649 1373565064 /nfs/dbraw/zinc/56/50/64/1373565064.db2.gz BQGMLXJTXBTHND-ZWKOTPCHSA-N 1 0 331.416 3.106 20 5 EGBDRO CC(C)(C)OC(=O)c1ccc([N+](=O)[O-])c(O[C@H]2CC[C@@]23CC[NH2+]C3)c1 ZINC001218124026 1373565530 /nfs/dbraw/zinc/56/55/30/1373565530.db2.gz PHXKCEFYQJMJOQ-YJBOKZPZSA-N 1 0 348.399 3.071 20 5 EGBDRO O=[N+]([O-])c1ccc(Br)cc1OC1CCC2(C[NH2+]C2)CC1 ZINC001218262350 1373585565 /nfs/dbraw/zinc/58/55/65/1373585565.db2.gz HMDGFCUXJCSJSS-UHFFFAOYSA-N 1 0 341.205 3.268 20 5 EGBDRO CC(C)C[C@@](C)([NH3+])C(=O)Nc1cc2nc3ccccc3nc2cc1N ZINC001218860361 1373663146 /nfs/dbraw/zinc/66/31/46/1373663146.db2.gz XBOGWDLMRRTVFR-LJQANCHMSA-N 1 0 337.427 3.067 20 5 EGBDRO CC(C)(C)CC(=O)NCC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001222381068 1373830652 /nfs/dbraw/zinc/83/06/52/1373830652.db2.gz FSSORARKCUXXFT-UHFFFAOYSA-N 1 0 347.459 3.359 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[NH+](C(C)(C)C)CC1 ZINC001326711896 1388286986 /nfs/dbraw/zinc/28/69/86/1388286986.db2.gz RMPRQROQXDLVLF-UHFFFAOYSA-N 1 0 335.448 3.298 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1C[C@@H](C)O[C@@H](CC[NH+](C)C)c1ccccc1 ZINC001224134227 1375054512 /nfs/dbraw/zinc/05/45/12/1375054512.db2.gz POEDJOGHNCWHPI-PBHICJAKSA-N 1 0 346.431 3.198 20 5 EGBDRO COc1cc(O[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC001225435837 1375109927 /nfs/dbraw/zinc/10/99/27/1375109927.db2.gz LQNZBWRXEWUGET-MRXNPFEDSA-N 1 0 328.368 3.257 20 5 EGBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1ccc(Br)cc1[N+](=O)[O-])C2 ZINC001225658884 1375140075 /nfs/dbraw/zinc/14/00/75/1375140075.db2.gz MIWVZHLEJMSYOX-ZSBIGDGJSA-N 1 0 341.205 3.361 20 5 EGBDRO CC(=O)c1ccc([N+](=O)[O-])c(OC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC001225803791 1375158425 /nfs/dbraw/zinc/15/84/25/1375158425.db2.gz HRZDNHAUYNFECA-UHFFFAOYSA-N 1 0 341.367 3.240 20 5 EGBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1ncc([N+](=O)[O-])cc1C(F)(F)F)C2 ZINC001225899193 1375171563 /nfs/dbraw/zinc/17/15/63/1375171563.db2.gz VYQGGVYUISWYGW-DOFRTFSJSA-N 1 0 331.294 3.013 20 5 EGBDRO CC(C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ncnc3ccc([N+](=O)[O-])cc31)C2 ZINC001226437351 1375258682 /nfs/dbraw/zinc/25/86/82/1375258682.db2.gz WOMVKOIQAXHFLS-NHAGDIPZSA-N 1 0 342.399 3.321 20 5 EGBDRO O=[N+]([O-])c1cccc(Cl)c1O[C@H]1CC[C@H]([NH+]2CCOCC2)CC1 ZINC001228001010 1375500725 /nfs/dbraw/zinc/50/07/25/1375500725.db2.gz QBYCPWPGCQLNAS-JOCQHMNTSA-N 1 0 340.807 3.270 20 5 EGBDRO Cc1ccc(O[C@@H](C)C[N+](C)(C)C)c(-n2nc3ccccc3n2)c1 ZINC001228109443 1375517804 /nfs/dbraw/zinc/51/78/04/1375517804.db2.gz PZMIBNKRCQCQGT-HNNXBMFYSA-N 1 0 325.436 3.202 20 5 EGBDRO Cc1[nH]c(=O)cc(O[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC001228684881 1375639269 /nfs/dbraw/zinc/63/92/69/1375639269.db2.gz ACCDGJSCCQVQIS-OAHLLOKOSA-N 1 0 343.383 3.047 20 5 EGBDRO C[NH+]1CCC(c2c[nH]c3ccc(O[C@H](C[N+](=O)[O-])C4CC4)cc32)CC1 ZINC001228830987 1375688993 /nfs/dbraw/zinc/68/89/93/1375688993.db2.gz VTFIMZIUEKLUCT-LJQANCHMSA-N 1 0 343.427 3.411 20 5 EGBDRO O=[N+]([O-])c1ccncc1O[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC001228881358 1375705053 /nfs/dbraw/zinc/70/50/53/1375705053.db2.gz DJOFBMKPPBIRLU-JFIYKMOQSA-N 1 0 339.395 3.279 20 5 EGBDRO C[N@@H+]1CCC[C@H](Oc2cc([N+](=O)[O-])c(Br)cc2F)CC1 ZINC001228937932 1375721552 /nfs/dbraw/zinc/72/15/52/1375721552.db2.gz GUYCNUNKYCBVIH-VIFPVBQESA-N 1 0 347.184 3.360 20 5 EGBDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1nccc2ccc([N+](=O)[O-])cc21 ZINC001229009073 1375735421 /nfs/dbraw/zinc/73/54/21/1375735421.db2.gz RNMCGTDRSNWRIQ-HALDLXJZSA-N 1 0 327.384 3.252 20 5 EGBDRO CC(C)[N@@H+]1CC[C@@H](Oc2ccc([N+](=O)[O-])c(Br)c2)C1 ZINC001229084725 1375759954 /nfs/dbraw/zinc/75/99/54/1375759954.db2.gz ASLIZIRZHYKWDP-LLVKDONJSA-N 1 0 329.194 3.219 20 5 EGBDRO O=[N+]([O-])c1ccc(O[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(Cl)n1 ZINC001229913508 1375917384 /nfs/dbraw/zinc/91/73/84/1375917384.db2.gz ZENOCFJAUIULFS-CYBMUJFWSA-N 1 0 333.775 3.297 20 5 EGBDRO C[C@H](c1ccccn1)[N@@H+]1CC[C@@H](Oc2ccc(Cl)nc2[N+](=O)[O-])C1 ZINC001230879141 1376173754 /nfs/dbraw/zinc/17/37/54/1376173754.db2.gz MZKBVCXPTGBJCH-VXGBXAGGSA-N 1 0 348.790 3.253 20 5 EGBDRO C[NH+]1CCC(Oc2cc(C(=O)OC(C)(C)C)ccc2[N+](=O)[O-])CC1 ZINC001233529230 1376662646 /nfs/dbraw/zinc/66/26/46/1376662646.db2.gz UNTJDUMNEKZRKC-UHFFFAOYSA-N 1 0 336.388 3.023 20 5 EGBDRO Cc1oc(C(C)C)cc1C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001146337064 1378819725 /nfs/dbraw/zinc/81/97/25/1378819725.db2.gz CBFHIVFKWBTNDO-UHFFFAOYSA-N 1 0 345.399 3.139 20 5 EGBDRO O=C(CC1=CCCCC1)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001155740740 1380488502 /nfs/dbraw/zinc/48/85/02/1380488502.db2.gz CQQUQWBRKBFMPL-UHFFFAOYSA-N 1 0 331.416 3.081 20 5 EGBDRO C[NH2+]CCNc1cc(Oc2ccnc(Cl)c2)c(F)cc1[N+](=O)[O-] ZINC001156891879 1380719176 /nfs/dbraw/zinc/71/91/76/1380719176.db2.gz FDLOXMPMJKIZJG-UHFFFAOYSA-N 1 0 340.742 3.206 20 5 EGBDRO [NH3+]CCc1cn(-c2ccc3c(cccc3[N+](=O)[O-])n2)c2ccc(O)cc12 ZINC001157218075 1380814183 /nfs/dbraw/zinc/81/41/83/1380814183.db2.gz IQYMZLNEKFTCBH-UHFFFAOYSA-N 1 0 348.362 3.294 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)c(Cl)nc1N1CCCC[C@@]12CCC[NH2+]C2 ZINC001157469325 1380922020 /nfs/dbraw/zinc/92/20/20/1380922020.db2.gz ZEGINNJAZCJFIA-AWEZNQCLSA-N 1 0 345.230 3.409 20 5 EGBDRO Cc1nc(Cl)nc(N[C@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)c1[N+](=O)[O-] ZINC001158265383 1381178136 /nfs/dbraw/zinc/17/81/36/1381178136.db2.gz GSGVPUZNGVLENZ-BONVTDFDSA-N 1 0 341.843 3.302 20 5 EGBDRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1c1cc([N+](=O)[O-])ccn1 ZINC001158524586 1381281710 /nfs/dbraw/zinc/28/17/10/1381281710.db2.gz ZFYWACVNRWSJRE-HUUCEWRRSA-N 1 0 326.400 3.089 20 5 EGBDRO CC[N@@H+]1CCN(C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)C(C)(C)C1 ZINC001158561305 1381299908 /nfs/dbraw/zinc/29/99/08/1381299908.db2.gz NOMOXTOTUOLNRK-UHFFFAOYSA-N 1 0 348.781 3.109 20 5 EGBDRO C[NH+](C)CCC(C)(C)NC(F)(F)c1cc([N+](=O)[O-])cnc1Cl ZINC001158758246 1381385822 /nfs/dbraw/zinc/38/58/22/1381385822.db2.gz WEMIOAHZVBGDDE-UHFFFAOYSA-N 1 0 336.770 3.012 20 5 EGBDRO Cc1ccc(N(CC2CC[NH2+]CC2)c2ncccc2N)c([N+](=O)[O-])c1 ZINC001159336916 1381768774 /nfs/dbraw/zinc/76/87/74/1381768774.db2.gz XLVGMKZLJSWPQN-UHFFFAOYSA-N 1 0 341.415 3.018 20 5 EGBDRO Cc1ccc(Nc2ccc(N3CC[NH2+]CC3)c(F)c2)c([N+](=O)[O-])c1 ZINC001159537696 1381820642 /nfs/dbraw/zinc/82/06/42/1381820642.db2.gz MZNXXBPVSATWQV-UHFFFAOYSA-N 1 0 330.363 3.196 20 5 EGBDRO CCOC(=O)c1cc(Nc2ccc3c(c2)CC[NH2+]C3)cc([N+](=O)[O-])c1 ZINC001159600726 1381843070 /nfs/dbraw/zinc/84/30/70/1381843070.db2.gz NQSGZIYCULJROH-UHFFFAOYSA-N 1 0 341.367 3.161 20 5 EGBDRO O=[N+]([O-])c1cccc(N[C@@H](Cc2ccccc2)C[NH+]2CCCC2)n1 ZINC001159653795 1381859320 /nfs/dbraw/zinc/85/93/20/1381859320.db2.gz MRZQAABMUZQTJK-INIZCTEOSA-N 1 0 326.400 3.109 20 5 EGBDRO COc1ccc(Nc2ccc(O[C@H]3CC[NH2+]C3)cc2)cc1[N+](=O)[O-] ZINC001159921717 1381937112 /nfs/dbraw/zinc/93/71/12/1381937112.db2.gz DKXOILAZECIFIQ-HNNXBMFYSA-N 1 0 329.356 3.088 20 5 EGBDRO [NH3+][C@@H]1CCCN(c2ccc(Nc3cc([N+](=O)[O-])ccc3F)cc2)C1 ZINC001159981704 1381957928 /nfs/dbraw/zinc/95/79/28/1381957928.db2.gz NEMCWGYAJINDBC-GFCCVEGCSA-N 1 0 330.363 3.405 20 5 EGBDRO O=[N+]([O-])c1ccc(F)c(Nc2cccc(F)c2O[C@@H]2CC[NH2+]C2)c1 ZINC001160182160 1382026881 /nfs/dbraw/zinc/02/68/81/1382026881.db2.gz QZKDNGSJBOPXFZ-LLVKDONJSA-N 1 0 335.310 3.357 20 5 EGBDRO O=[N+]([O-])c1cc(F)cc(Nc2cccc(F)c2O[C@@H]2CC[NH2+]C2)c1 ZINC001160185135 1382028141 /nfs/dbraw/zinc/02/81/41/1382028141.db2.gz RDLCQAPHRZXCFP-CYBMUJFWSA-N 1 0 335.310 3.357 20 5 EGBDRO [NH3+]C[C@H]1COc2ccccc2N1c1ccc2ccc([N+](=O)[O-])cc2n1 ZINC001160200004 1382031399 /nfs/dbraw/zinc/03/13/99/1382031399.db2.gz NAATYNUQPJQTIR-AWEZNQCLSA-N 1 0 336.351 3.001 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1Nc1cccc(O[C@H]2CCC[NH2+]C2)c1 ZINC001160219700 1382037335 /nfs/dbraw/zinc/03/73/35/1382037335.db2.gz LUFJVZNMDCCTCE-INIZCTEOSA-N 1 0 343.383 3.478 20 5 EGBDRO Cc1ncc([N+](=O)[O-])cc1Nc1ccccc1O[C@H]1CCC[NH2+]C1 ZINC001160233736 1382042065 /nfs/dbraw/zinc/04/20/65/1382042065.db2.gz LVBAXUQIFABFFA-AWEZNQCLSA-N 1 0 328.372 3.173 20 5 EGBDRO CN(Cc1c2ccccc2cc2ccccc21)C(=O)[C@@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC001160738466 1382183135 /nfs/dbraw/zinc/18/31/35/1382183135.db2.gz MNPMLKBJDAOGKN-CEQLMSFQSA-N 1 0 330.431 3.417 20 5 EGBDRO O=[N+]([O-])c1cc2ccccc2nc1N[C@@H]1CC[NH2+]C[C@@H]1C(F)(F)F ZINC001160741121 1382183393 /nfs/dbraw/zinc/18/33/93/1382183393.db2.gz QISLDHSACSHEQR-CMPLNLGQSA-N 1 0 340.305 3.095 20 5 EGBDRO C[NH+](C)CCCCNc1c(Br)cc(F)cc1[N+](=O)[O-] ZINC001161731252 1382490771 /nfs/dbraw/zinc/49/07/71/1382490771.db2.gz XMHSIZSMLKEZCJ-UHFFFAOYSA-N 1 0 334.189 3.250 20 5 EGBDRO [NH3+]CCN(c1ccc(F)cc1)c1ncc([N+](=O)[O-])c2ccccc21 ZINC001161877415 1382536923 /nfs/dbraw/zinc/53/69/23/1382536923.db2.gz HTGMJCSJONCRFV-UHFFFAOYSA-N 1 0 326.331 3.379 20 5 EGBDRO Cc1cc(Cl)nc(-n2cncc2-c2cccc(C[NH3+])c2)c1[N+](=O)[O-] ZINC001162563578 1382791028 /nfs/dbraw/zinc/79/10/28/1382791028.db2.gz NYEVNRRIECTIMT-UHFFFAOYSA-N 1 0 343.774 3.263 20 5 EGBDRO O=[N+]([O-])c1c(NCc2ccc3c(c2)CC[NH2+]C3)ccc2cnccc21 ZINC001162810716 1382881204 /nfs/dbraw/zinc/88/12/04/1382881204.db2.gz YEKFPAARENJJGQ-UHFFFAOYSA-N 1 0 334.379 3.401 20 5 EGBDRO O=[N+]([O-])c1cc(NC[C@@H]2CCC3(CC[NH2+]CC3)CO2)cc2cc[nH]c21 ZINC001162965649 1382929675 /nfs/dbraw/zinc/92/96/75/1382929675.db2.gz LHIYANDSPHBLNE-HNNXBMFYSA-N 1 0 344.415 3.037 20 5 EGBDRO CC(C)(C)c1ccc(N[C@@H]2CCO[C@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC001163323682 1383022314 /nfs/dbraw/zinc/02/23/14/1383022314.db2.gz PDWMORQHNADFPV-RDTXWAMCSA-N 1 0 333.432 3.215 20 5 EGBDRO CC/C=C(/C)C(=O)NCCC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001163677275 1383104082 /nfs/dbraw/zinc/10/40/82/1383104082.db2.gz XHNDZPIEKNTPMW-TVPGTPATSA-N 1 0 345.443 3.327 20 5 EGBDRO CC(C)(C)C(C)(C)C(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001163977504 1383142468 /nfs/dbraw/zinc/14/24/68/1383142468.db2.gz HRQPPTDPAUIGAV-UHFFFAOYSA-N 1 0 335.448 3.263 20 5 EGBDRO COC(=O)c1ccc([N+](=O)[O-])cc1NCc1cccc(C[NH+](C)C)c1 ZINC001163994177 1383144394 /nfs/dbraw/zinc/14/43/94/1383144394.db2.gz FJXPVKJDJLKBGZ-UHFFFAOYSA-N 1 0 343.383 3.055 20 5 EGBDRO CC(C)=C(F)C(=O)NCCC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001164071480 1383153016 /nfs/dbraw/zinc/15/30/16/1383153016.db2.gz YZOCLUBXMGWECB-UHFFFAOYSA-N 1 0 349.406 3.234 20 5 EGBDRO Cc1c(C)c(N2CCC(C[NH3+])(c3ccccc3)CC2)ncc1[N+](=O)[O-] ZINC001164439200 1383186920 /nfs/dbraw/zinc/18/69/20/1383186920.db2.gz MVXHHWBIFJKIFO-UHFFFAOYSA-N 1 0 340.427 3.104 20 5 EGBDRO C[C@H]1CC[C@@H](C[NH3+])CN1c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC001164474721 1383190254 /nfs/dbraw/zinc/19/02/54/1383190254.db2.gz UEQMBFAUTAAGJW-STQMWFEESA-N 1 0 344.390 3.360 20 5 EGBDRO C[NH+]1CCC(C2CCN(c3cc(Cl)cc([N+](=O)[O-])n3)CC2)CC1 ZINC001165064870 1383220227 /nfs/dbraw/zinc/22/02/27/1383220227.db2.gz BVRNMUQWJKBIPU-UHFFFAOYSA-N 1 0 338.839 3.201 20 5 EGBDRO C[NH+](C)C[C@]12C[C@H]1CN(c1ccc3c(ccc(Cl)c3[N+](=O)[O-])n1)C2 ZINC001165185056 1383243860 /nfs/dbraw/zinc/24/38/60/1383243860.db2.gz NXPUTZBWKMZSNV-GTNSWQLSSA-N 1 0 346.818 3.184 20 5 EGBDRO C[N@@H+]1CCC[C@H](CCNc2nc3cc([N+](=O)[O-])ccc3nc2Cl)C1 ZINC001165260837 1383260728 /nfs/dbraw/zinc/26/07/28/1383260728.db2.gz JPXIMEYGLZDRBI-LLVKDONJSA-N 1 0 349.822 3.335 20 5 EGBDRO C=Cc1ccc(C(=O)NCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1 ZINC001167221720 1383569458 /nfs/dbraw/zinc/56/94/58/1383569458.db2.gz FUARIQXWNNMOCK-UHFFFAOYSA-N 1 0 339.395 3.148 20 5 EGBDRO Cc1cc([N+](=O)[O-])cc(-n2cc(CC[NH3+])c3cc(O)ccc32)c1F ZINC001167987929 1383788639 /nfs/dbraw/zinc/78/86/39/1383788639.db2.gz RDENXNODVPOGQP-UHFFFAOYSA-N 1 0 329.331 3.193 20 5 EGBDRO O=[N+]([O-])c1cc2c(cc1N[C@@H](c1ccccn1)C(F)(F)F)C[NH2+]C2 ZINC001168487495 1383920630 /nfs/dbraw/zinc/92/06/30/1383920630.db2.gz RAKFCKDLKIGOTQ-AWEZNQCLSA-N 1 0 338.289 3.309 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2ccc(F)c(Br)c2)C1 ZINC001168959045 1384070762 /nfs/dbraw/zinc/07/07/62/1384070762.db2.gz SRUMAPDWQWUFLO-WDEREUQCSA-N 1 0 331.185 3.123 20 5 EGBDRO COc1ccc(-c2nc(C[NH2+][C@H]3CC[C@@H](C[N+](=O)[O-])C3)cs2)cc1 ZINC001168970965 1384074413 /nfs/dbraw/zinc/07/44/13/1384074413.db2.gz JIXXRMIKPJOBTM-OCCSQVGLSA-N 1 0 347.440 3.354 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+][C@@H](Cc2ccccc2)c2nccs2)C1 ZINC001168980263 1384077458 /nfs/dbraw/zinc/07/74/58/1384077458.db2.gz CNBJKXYLUFHXDE-JYJNAYRXSA-N 1 0 331.441 3.462 20 5 EGBDRO C[C@H](Cc1cccc(Br)c1)[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168990179 1384079907 /nfs/dbraw/zinc/07/99/07/1384079907.db2.gz YAIYZZIQUFJUBL-KYOSRNDESA-N 1 0 341.249 3.415 20 5 EGBDRO Cc1c(F)cccc1CN1CCC([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168992767 1384081191 /nfs/dbraw/zinc/08/11/91/1384081191.db2.gz KOAUDPPOFGMGMX-CRAIPNDOSA-N 1 0 349.450 3.134 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2ccc(OCC3CCOCC3)cc2)C1 ZINC001168998675 1384082860 /nfs/dbraw/zinc/08/28/60/1384082860.db2.gz PTEXGLVWFFYGFQ-ROUUACIJSA-N 1 0 348.443 3.027 20 5 EGBDRO C[N@H+](Cc1ccccc1Br)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169009094 1384087499 /nfs/dbraw/zinc/08/74/99/1384087499.db2.gz VLJVPYVPUCXBSR-AAEUAGOBSA-N 1 0 327.222 3.326 20 5 EGBDRO Cn1c2ccccc2nc1C1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169039876 1384098323 /nfs/dbraw/zinc/09/83/23/1384098323.db2.gz VECDSYFHLLXFFM-HOCLYGCPSA-N 1 0 342.443 3.198 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCC(n3ncc4ccccc43)CC2)C1 ZINC001169040142 1384098602 /nfs/dbraw/zinc/09/86/02/1384098602.db2.gz YFUVQLSQCYXZPC-PBHICJAKSA-N 1 0 328.416 3.119 20 5 EGBDRO CCOC(=O)C[N@H+]([C@H](C)c1ccccc1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169050014 1384100440 /nfs/dbraw/zinc/10/04/40/1384100440.db2.gz XXPNGUQVSZKZSY-HLLBOEOZSA-N 1 0 334.416 3.058 20 5 EGBDRO COC(=O)c1ccc([N+](=O)[O-])cc1N[C@@H]1CC(C)(C)C[C@@](C)(C[NH3+])C1 ZINC001169142550 1384113248 /nfs/dbraw/zinc/11/32/48/1384113248.db2.gz HEVVSEFSWKGGPD-XIKOKIGWSA-N 1 0 349.431 3.337 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(N2CCC[C@H]([NH3+])c3cc(C)ccc32)n1 ZINC001169682320 1384173408 /nfs/dbraw/zinc/17/34/08/1384173408.db2.gz BCJUSODBOLTAKC-ZDUSSCGKSA-N 1 0 328.372 3.239 20 5 EGBDRO CNc1cc([N+](=O)[O-])cnc1N1CCC[C@@H]([NH3+])c2cc(C)ccc21 ZINC001169685163 1384173704 /nfs/dbraw/zinc/17/37/04/1384173704.db2.gz OUUSZLZSTWPEOX-CQSZACIVSA-N 1 0 327.388 3.272 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+]CCOCc2ccccc2)c([N+](=O)[O-])c1 ZINC001170297901 1384285217 /nfs/dbraw/zinc/28/52/17/1384285217.db2.gz VIKBPAMRUGOQEU-OAHLLOKOSA-N 1 0 344.411 3.341 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+]Cc2ccc(Cl)nc2)c([N+](=O)[O-])c1 ZINC001170299186 1384285242 /nfs/dbraw/zinc/28/52/42/1384285242.db2.gz RTQBNBMBSVJYLV-NSHDSACASA-N 1 0 335.791 3.373 20 5 EGBDRO CCCN(CCC)CC[NH2+][C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170298002 1384285418 /nfs/dbraw/zinc/28/54/18/1384285418.db2.gz YAWUUCNYRMLHPO-HNNXBMFYSA-N 1 0 337.464 3.246 20 5 EGBDRO COc1ccc(C[C@H](C)n2c(C[NH3+])nc3ccccc32)c([N+](=O)[O-])c1 ZINC001170300283 1384285804 /nfs/dbraw/zinc/28/58/04/1384285804.db2.gz YTUSMKFLAMIMBZ-LBPRGKRZSA-N 1 0 340.383 3.216 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+]CC2(c3ccccn3)CC2)c([N+](=O)[O-])c1 ZINC001170313042 1384288506 /nfs/dbraw/zinc/28/85/06/1384288506.db2.gz JKPWCHQBRAASDM-CQSZACIVSA-N 1 0 341.411 3.251 20 5 EGBDRO COc1ccc(C[C@H](C)[N@@H+]2CCC[C@@](C)(O)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC001170334307 1384293920 /nfs/dbraw/zinc/29/39/20/1384293920.db2.gz BYNRYZMIPRCGMB-SUNYJGFJSA-N 1 0 336.432 3.017 20 5 EGBDRO COc1ccc(C[C@@H](C)[N@@H+]2CC[C@]3(CC3(F)F)C2)c([N+](=O)[O-])c1 ZINC001170345461 1384295731 /nfs/dbraw/zinc/29/57/31/1384295731.db2.gz LATIZESUNDFNRL-ABAIWWIYSA-N 1 0 326.343 3.266 20 5 EGBDRO COc1ccc(C[C@@H](C)[N@@H+]2CC[C@@H](c3ccccn3)C2)c([N+](=O)[O-])c1 ZINC001170346556 1384296887 /nfs/dbraw/zinc/29/68/87/1384296887.db2.gz OFVZADBQCPTRLN-GDBMZVCRSA-N 1 0 341.411 3.419 20 5 EGBDRO [NH3+]C[C@H]1COc2ccccc2N1c1ccnc2c1cccc2[N+](=O)[O-] ZINC001171395063 1384511900 /nfs/dbraw/zinc/51/19/00/1384511900.db2.gz XITTVKHYXMJEHA-LBPRGKRZSA-N 1 0 336.351 3.001 20 5 EGBDRO C[C@](O)(C[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1ccccc1 ZINC001172895316 1384873768 /nfs/dbraw/zinc/87/37/68/1384873768.db2.gz CAYUNKJVSRDHKA-ICSRJNTNSA-N 1 0 340.423 3.340 20 5 EGBDRO COC(=O)[C@@H]1CCC[C@H]([NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172899969 1384874161 /nfs/dbraw/zinc/87/41/61/1384874161.db2.gz ARUZFCPKAHNXPK-IKGGRYGDSA-N 1 0 346.427 3.164 20 5 EGBDRO CCOc1ccc(C[NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)cn1 ZINC001172902561 1384874506 /nfs/dbraw/zinc/87/45/06/1384874506.db2.gz ZWYVPZUUQCRDTL-QGZVFWFLSA-N 1 0 341.411 3.426 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]C1(c3ccccc3)COC1)CC2 ZINC001172902105 1384874539 /nfs/dbraw/zinc/87/45/39/1384874539.db2.gz VFOHISXSARBQJK-SFHVURJKSA-N 1 0 338.407 3.358 20 5 EGBDRO C[C@@H]1CC[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC[C@]1(C)O ZINC001172904932 1384875333 /nfs/dbraw/zinc/87/53/33/1384875333.db2.gz BIYJEZNJQOVNCJ-LJHODMEESA-N 1 0 332.444 3.325 20 5 EGBDRO COc1cnccc1CC[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172907169 1384875430 /nfs/dbraw/zinc/87/54/30/1384875430.db2.gz QBSDJHJYLKDFBL-QGZVFWFLSA-N 1 0 341.411 3.078 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CCC[C@H]1c1ncccn1)CC2 ZINC001172913073 1384876960 /nfs/dbraw/zinc/87/69/60/1384876960.db2.gz OQRBNYCGWRKPIY-AEFFLSMTSA-N 1 0 338.411 3.469 20 5 EGBDRO Cc1noc([C@@H]2CC[N@@H+]([C@H]3CCc4ccc([N+](=O)[O-])cc4CC3)C2)n1 ZINC001172919631 1384879235 /nfs/dbraw/zinc/87/92/35/1384879235.db2.gz GXKCCCOJCIXSGY-CVEARBPZSA-N 1 0 342.399 3.023 20 5 EGBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH2+]CC3CCC3)CC2)c(F)c1 ZINC001173007752 1384897834 /nfs/dbraw/zinc/89/78/34/1384897834.db2.gz ZQUPIPRTDUNGBD-UHFFFAOYSA-N 1 0 325.359 3.232 20 5 EGBDRO CSCC[N@H+](C)C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173018854 1384898058 /nfs/dbraw/zinc/89/80/58/1384898058.db2.gz HNNBLPCKYGNWQZ-UHFFFAOYSA-N 1 0 345.415 3.137 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)Nc2ccc(CC[NH3+])cc2)c1F ZINC001173175830 1384931447 /nfs/dbraw/zinc/93/14/47/1384931447.db2.gz DNFFRBWSYOVSLA-GFCCVEGCSA-N 1 0 347.390 3.287 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]Cc2ccc(C)cn2)c1F ZINC001173176880 1384931624 /nfs/dbraw/zinc/93/16/24/1384931624.db2.gz NFBQUXBHYTVVFC-LBPRGKRZSA-N 1 0 333.363 3.167 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@H]2CC[C@@H](OC)CC2)c1F ZINC001173182605 1384932350 /nfs/dbraw/zinc/93/23/50/1384932350.db2.gz HZFGJGGYNRZQCD-UPJWGTAASA-N 1 0 340.395 3.221 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCc1ccc2c(c1)OCO2 ZINC001173211239 1384936239 /nfs/dbraw/zinc/93/62/39/1384936239.db2.gz RECJGMHVSVHQLY-CYBMUJFWSA-N 1 0 328.368 3.087 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H](c1ccccc1)N(C)C ZINC001173214180 1384937291 /nfs/dbraw/zinc/93/72/91/1384937291.db2.gz MQNBQOGADXWWMG-HNAYVOBHSA-N 1 0 327.428 3.418 20 5 EGBDRO COc1ccc(OC)c(C[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001173217610 1384937676 /nfs/dbraw/zinc/93/76/76/1384937676.db2.gz XIXJYPAUKWQMDN-CYBMUJFWSA-N 1 0 330.384 3.333 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCN(C)Cc1ccccc1 ZINC001173217970 1384937733 /nfs/dbraw/zinc/93/77/33/1384937733.db2.gz NUZNOTWFXQBTCA-MRXNPFEDSA-N 1 0 327.428 3.247 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc(-c2ncon2)cc1 ZINC001173215653 1384937834 /nfs/dbraw/zinc/93/78/34/1384937834.db2.gz XTZQKAVSYSNQAY-ZDUSSCGKSA-N 1 0 338.367 3.366 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCc2ccc(O)cc2C1 ZINC001173219587 1384938634 /nfs/dbraw/zinc/93/86/34/1384938634.db2.gz OBYIRFHGLFHNBM-SUMWQHHRSA-N 1 0 326.396 3.379 20 5 EGBDRO COc1cccnc1C1(C[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173223664 1384939263 /nfs/dbraw/zinc/93/92/63/1384939263.db2.gz KLZKHTRDHXJVLM-AWEZNQCLSA-N 1 0 341.411 3.251 20 5 EGBDRO CC(C)C(=O)N[C@H]1CC[C@H]([NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173224997 1384939346 /nfs/dbraw/zinc/93/93/46/1384939346.db2.gz QHKANCPCFZKQQE-DJIMGWMZSA-N 1 0 347.459 3.199 20 5 EGBDRO CC(=O)N1CCCC[C@]12CC[N@@H+]([C@@H](C)Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001173228116 1384939568 /nfs/dbraw/zinc/93/95/68/1384939568.db2.gz TYCSGHTWZYKIJC-HNAYVOBHSA-N 1 0 345.443 3.003 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC(C)(C)C(=O)OC(C)(C)C ZINC001173228884 1384940628 /nfs/dbraw/zinc/94/06/28/1384940628.db2.gz LEFBDRWLWZSDQC-ZDUSSCGKSA-N 1 0 336.432 3.483 20 5 EGBDRO COC(=O)c1ccccc1CC[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173230526 1384940922 /nfs/dbraw/zinc/94/09/22/1384940922.db2.gz RUUOKWAZJDFRSM-CQSZACIVSA-N 1 0 342.395 3.145 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC001173231960 1384941280 /nfs/dbraw/zinc/94/12/80/1384941280.db2.gz DQNTXAHGRKOBLL-KBXCAEBGSA-N 1 0 327.384 3.074 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@]2(C1)CC(F)(F)CO2 ZINC001173232485 1384941367 /nfs/dbraw/zinc/94/13/67/1384941367.db2.gz HDKCPVFUXCCSDR-SWLSCSKDSA-N 1 0 326.343 3.026 20 5 EGBDRO CCOC(=O)[C@H]1CC[C@H]([NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173236174 1384941978 /nfs/dbraw/zinc/94/19/78/1384941978.db2.gz YNIYZBBLDQIDJS-FVQBIDKESA-N 1 0 334.416 3.237 20 5 EGBDRO CCOC(=O)[C@H]1C[C@H](C)CCN1[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173235455 1384942334 /nfs/dbraw/zinc/94/23/34/1384942334.db2.gz XFCZTQOYMIYIHZ-CKEIUWERSA-N 1 0 334.416 3.189 20 5 EGBDRO Cc1cccc(O[C@@H]2CC[N@@H+]([C@@H](C)Cc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC001173237747 1384942772 /nfs/dbraw/zinc/94/27/72/1384942772.db2.gz LVKHHLPBMRMOIE-MAUKXSAKSA-N 1 0 341.411 3.383 20 5 EGBDRO Cc1cc(C(=O)NCCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)sc1C ZINC001175591454 1385343710 /nfs/dbraw/zinc/34/37/10/1385343710.db2.gz AMIRBQUQIXLLAM-UHFFFAOYSA-N 1 0 347.440 3.183 20 5 EGBDRO CCOC(=O)c1cc(N[C@@H]2CCCC[C@H]2[NH+](C)C)ccc1[N+](=O)[O-] ZINC001319091901 1385958204 /nfs/dbraw/zinc/95/82/04/1385958204.db2.gz JQFQMWXOHDSEGG-GDBMZVCRSA-N 1 0 335.404 3.056 20 5 EGBDRO CC(C)[N@H+](CCc1ccccc1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC001319513110 1386154300 /nfs/dbraw/zinc/15/43/00/1386154300.db2.gz LWRFTINWXDDHLI-UHFFFAOYSA-N 1 0 341.411 3.147 20 5 EGBDRO CCC[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC001319851051 1386334184 /nfs/dbraw/zinc/33/41/84/1386334184.db2.gz LMNCZUYNGRXCNL-WNRNVDISSA-N 1 0 348.443 3.154 20 5 EGBDRO Cc1c(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)ccc2c[nH+]cn21 ZINC001320174174 1386547862 /nfs/dbraw/zinc/54/78/62/1386547862.db2.gz LAEDCNXYRWCZHI-UHFFFAOYSA-N 1 0 330.731 3.457 20 5 EGBDRO [NH2+]=c1ccc2nc3c(cc(NC(=O)C4(O)CC4)c4ccccc43)oc-2c1 ZINC001181530269 1387011136 /nfs/dbraw/zinc/01/11/36/1387011136.db2.gz GHGNASFHNGRECU-UHFFFAOYSA-N 1 0 345.358 3.029 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1C ZINC001332739238 1390176427 /nfs/dbraw/zinc/17/64/27/1390176427.db2.gz QRYOXMSUPBUSTF-OKILXGFUSA-N 1 0 347.459 3.309 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)c2ncnc(N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)c2c1 ZINC001333670907 1390370014 /nfs/dbraw/zinc/37/00/14/1390370014.db2.gz ASBAFSPIYNFRKQ-GHMZBOCLSA-N 1 0 347.806 3.230 20 5 EGBDRO CC[NH+](CC)C1CCN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC001341982849 1390557727 /nfs/dbraw/zinc/55/77/27/1390557727.db2.gz BGQMKGXXMHQYOX-ZWKOTPCHSA-N 1 0 345.443 3.031 20 5 EGBDRO CC[C@@]1([NH2+]Cc2cc([N+](=O)[O-])ccc2Br)CCOC1 ZINC001334872213 1390610037 /nfs/dbraw/zinc/61/00/37/1390610037.db2.gz YSXHRJKAZMHZKS-CYBMUJFWSA-N 1 0 329.194 3.016 20 5 EGBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]CCc3ccc(F)cc3F)nc2c1 ZINC001343926301 1390744670 /nfs/dbraw/zinc/74/46/70/1390744670.db2.gz KJAMUEMGHRHKCD-UHFFFAOYSA-N 1 0 332.310 3.082 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H]2C[C@H]2c2nc([C@@H]3C[NH+]4CCC3CC4)no2)c1 ZINC001345148141 1390841555 /nfs/dbraw/zinc/84/15/55/1390841555.db2.gz GLWWQXCETLIIRT-ARFHVFGLSA-N 1 0 340.383 3.058 20 5 EGBDRO C[C@H]1C[C@H](NC(=O)Nc2ccc([N+](=O)[O-])c3ccccc23)CC[N@@H+]1C ZINC001345939226 1390895454 /nfs/dbraw/zinc/89/54/54/1390895454.db2.gz MQTHVJIURBJRGA-QWHCGFSZSA-N 1 0 342.399 3.352 20 5 EGBDRO C[C@@H]1CCc2nc(CN(CC[NH3+])c3ccc([N+](=O)[O-])cc3)sc2C1 ZINC001347212880 1391029690 /nfs/dbraw/zinc/02/96/90/1391029690.db2.gz TYTUJGXIFVDLBM-GFCCVEGCSA-N 1 0 346.456 3.141 20 5 EGBDRO CN(CC(C)(C)C[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)C1CCCC1 ZINC001755278740 1440800092 /nfs/dbraw/zinc/80/00/92/1440800092.db2.gz ONINUJJQCKLAQE-UHFFFAOYSA-N 1 0 347.459 3.359 20 5 EGBDRO O=[N+]([O-])c1cc2ccccc2nc1N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001164771203 721293188 /nfs/dbraw/zinc/29/31/88/721293188.db2.gz YOUHTKYHGIJMIF-UHFFFAOYSA-N 1 0 338.411 3.065 20 5 EGBDRO C[NH+](C)[C@H]1CCCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C1 ZINC000090089495 721898746 /nfs/dbraw/zinc/89/87/46/721898746.db2.gz PFPXPKQIRZRDQY-HNNXBMFYSA-N 1 0 326.400 3.187 20 5 EGBDRO COc1cc(C)nc(N2CCCC[C@@H]2CC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC001165047023 721969403 /nfs/dbraw/zinc/96/94/03/721969403.db2.gz IBWHKWQZPQZMKH-OAHLLOKOSA-N 1 0 348.447 3.152 20 5 EGBDRO Cc1ccccc1C[C@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000786577634 1126110004 /nfs/dbraw/zinc/11/00/04/1126110004.db2.gz AFHGMPVLPGQGSA-OAHLLOKOSA-N 1 0 334.803 3.250 20 5 EGBDRO C[C@@H](Nc1ccc([N+](=O)[O-])cc1Br)[C@@H]1CCC[NH2+]C1 ZINC000050164266 214047670 /nfs/dbraw/zinc/04/76/70/214047670.db2.gz UKCNIXFUAPQTQF-NXEZZACHSA-N 1 0 328.210 3.157 20 5 EGBDRO CCC[NH+]1CCC(NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 ZINC000055201280 214288212 /nfs/dbraw/zinc/28/82/12/214288212.db2.gz FQHMEMHJYBLOJL-UHFFFAOYSA-N 1 0 347.459 3.497 20 5 EGBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](CCc3ccncc3)CC2)cc1 ZINC000174247258 231159542 /nfs/dbraw/zinc/15/95/42/231159542.db2.gz FJJWWCXAYPVITD-UHFFFAOYSA-N 1 0 327.384 3.076 20 5 EGBDRO C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C(C1CC1)C1CC1 ZINC000181665744 529871536 /nfs/dbraw/zinc/87/15/36/529871536.db2.gz VSYVHYWDFOPKAH-UHFFFAOYSA-N 1 0 335.379 3.183 20 5 EGBDRO Cc1ncc2c(n1)CC[C@@H]([NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])C2 ZINC000371986067 168683536 /nfs/dbraw/zinc/68/35/36/168683536.db2.gz XGMYNCNDOSDSHH-SUMWQHHRSA-N 1 0 340.427 3.161 20 5 EGBDRO Cc1ccsc1CNC(=O)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181814284 234333698 /nfs/dbraw/zinc/33/36/98/234333698.db2.gz OMBSPURVKZDLED-ZDUSSCGKSA-N 1 0 347.440 3.240 20 5 EGBDRO C[C@H](NC(=O)c1ccccc1[N+](=O)[O-])[C@@H](c1ccccc1)[NH+](C)C ZINC000187205577 299249807 /nfs/dbraw/zinc/24/98/07/299249807.db2.gz PVHWIAZKASNUCN-GUYCJALGSA-N 1 0 327.384 3.016 20 5 EGBDRO C[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000194005582 240397712 /nfs/dbraw/zinc/39/77/12/240397712.db2.gz ISEWBKIBFRUKGH-ZYHUDNBSSA-N 1 0 325.796 3.355 20 5 EGBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000195621228 241033342 /nfs/dbraw/zinc/03/33/42/241033342.db2.gz XTSAXZMQGWDFGC-NEPJUHHUSA-N 1 0 339.823 3.098 20 5 EGBDRO Cc1c([C@@H](C)NC2CC[NH+](C[C@H]3CCOC3)CC2)cccc1[N+](=O)[O-] ZINC000132961679 223377079 /nfs/dbraw/zinc/37/70/79/223377079.db2.gz SHFABLLCWMPKEU-HZPDHXFCSA-N 1 0 347.459 3.055 20 5 EGBDRO CC(C)CCOCC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000236744408 242342484 /nfs/dbraw/zinc/34/24/84/242342484.db2.gz BUQPSRACMFYXLP-UHFFFAOYSA-N 1 0 346.431 3.148 20 5 EGBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000080160965 217284364 /nfs/dbraw/zinc/28/43/64/217284364.db2.gz UWKPIWAWLURBIA-AWEZNQCLSA-N 1 0 334.420 3.099 20 5 EGBDRO CC[C@@H]1C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H](C)O1 ZINC000111276702 220130576 /nfs/dbraw/zinc/13/05/76/220130576.db2.gz WETDLFTUOVIUFQ-XJKSGUPXSA-N 1 0 345.399 3.292 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CC3(O)CCCC3)cs2)c1 ZINC000264945661 247072389 /nfs/dbraw/zinc/07/23/89/247072389.db2.gz IKYPXFRLPLLXQV-UHFFFAOYSA-N 1 0 333.413 3.113 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CCOCC3CC3)cs2)c1 ZINC000265001673 247125412 /nfs/dbraw/zinc/12/54/12/247125412.db2.gz ZZCIFAFISQSLMN-UHFFFAOYSA-N 1 0 333.413 3.235 20 5 EGBDRO COC1CCC([N@H+](C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000265218249 247307891 /nfs/dbraw/zinc/30/78/91/247307891.db2.gz NRLLYAMYPHUEKO-UHFFFAOYSA-N 1 0 346.387 3.034 20 5 EGBDRO COc1cc(NC[C@@H](c2ccco2)[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000266155047 248135187 /nfs/dbraw/zinc/13/51/87/248135187.db2.gz UZJGXWGWVYEQNX-HNNXBMFYSA-N 1 0 331.372 3.445 20 5 EGBDRO Cn1cc([C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)c2ccccc2)cn1 ZINC000378646727 169152565 /nfs/dbraw/zinc/15/25/65/169152565.db2.gz HMJWBXJFAUPEFI-IBGZPJMESA-N 1 0 336.395 3.250 20 5 EGBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000408258390 169168011 /nfs/dbraw/zinc/16/80/11/169168011.db2.gz WFRIWURHICBTII-GUTXKFCHSA-N 1 0 349.406 3.211 20 5 EGBDRO CC(C)C(=O)NC[C@@H]1CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000092706054 218160028 /nfs/dbraw/zinc/16/00/28/218160028.db2.gz CGIZVHJGUULCTJ-FSNWXROXSA-N 1 0 345.443 3.092 20 5 EGBDRO Cc1c([C@@H](C)[NH2+]C[C@H](O)COc2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000152560072 223983854 /nfs/dbraw/zinc/98/38/54/223983854.db2.gz DRIPDCARUFUHFY-HIFRSBDPSA-N 1 0 348.374 3.133 20 5 EGBDRO COc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)CC2 ZINC000268788743 252239985 /nfs/dbraw/zinc/23/99/85/252239985.db2.gz BCPONCZQLXOZGF-MRXNPFEDSA-N 1 0 328.368 3.389 20 5 EGBDRO C[N@@H+]1CCC[C@H]2CN(c3ccc([N+](=O)[O-])c(OC(F)F)c3)CC[C@H]21 ZINC000268796083 252247385 /nfs/dbraw/zinc/24/73/85/252247385.db2.gz BTUDCPDBFLJMHN-WCQYABFASA-N 1 0 341.358 3.117 20 5 EGBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)C1 ZINC000097380039 219020803 /nfs/dbraw/zinc/02/08/03/219020803.db2.gz QPCSEDDIZDCNEY-CQSZACIVSA-N 1 0 334.420 3.017 20 5 EGBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)C1 ZINC000097380038 219020982 /nfs/dbraw/zinc/02/09/82/219020982.db2.gz QPCSEDDIZDCNEY-AWEZNQCLSA-N 1 0 334.420 3.017 20 5 EGBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2C[C@H](C)N(C3CC3)C2)cc1[N+](=O)[O-] ZINC000154189355 224216486 /nfs/dbraw/zinc/21/64/86/224216486.db2.gz IDYUZBQOMZKJQI-YDHLFZDLSA-N 1 0 333.432 3.269 20 5 EGBDRO C[NH+](C)CC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)C(C)(C)C ZINC000116131357 220934467 /nfs/dbraw/zinc/93/44/67/220934467.db2.gz FRPIHCGOJJHIDZ-CQSZACIVSA-N 1 0 341.839 3.344 20 5 EGBDRO C[C@@H](c1ccncc1)[NH+]1CCC(Nc2ccc([N+](=O)[O-])cn2)CC1 ZINC000119260599 221278529 /nfs/dbraw/zinc/27/85/29/221278529.db2.gz BNGSTDREWSMMIM-ZDUSSCGKSA-N 1 0 327.388 3.022 20 5 EGBDRO CC[C@H](NC(=O)C[C@@H]([NH3+])c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000119358200 221302144 /nfs/dbraw/zinc/30/21/44/221302144.db2.gz GRIOOXCXAVYUTQ-SJORKVTESA-N 1 0 327.384 3.252 20 5 EGBDRO Cc1ccc([C@H](C)NC(=O)C[C@@H]([NH3+])c2ccccc2)cc1[N+](=O)[O-] ZINC000119381760 221308135 /nfs/dbraw/zinc/30/81/35/221308135.db2.gz LISMFASLTQANHD-XJKSGUPXSA-N 1 0 327.384 3.171 20 5 EGBDRO C[C@@H]([NH2+]C1CCN(Cc2ccccn2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000178646540 533340518 /nfs/dbraw/zinc/34/05/18/533340518.db2.gz PCGFEBMTWUZRLJ-OAHLLOKOSA-N 1 0 340.427 3.305 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCC[C@H](C(=O)N(C)C)C1 ZINC000344818616 533384116 /nfs/dbraw/zinc/38/41/16/533384116.db2.gz FKMQERKHFXEUHR-OQDIJTRPSA-N 1 0 345.443 3.235 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](C)Cn1ccnc1C ZINC000344792445 533409265 /nfs/dbraw/zinc/40/92/65/533409265.db2.gz MSIMUQPFQXIPFF-AAWPKVBNSA-N 1 0 328.416 3.429 20 5 EGBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000178640684 533504699 /nfs/dbraw/zinc/50/46/99/533504699.db2.gz FMLCYNAGUJYOGS-QWHCGFSZSA-N 1 0 348.424 3.410 20 5 EGBDRO C[C@@H](CCNC(=O)N(C)Cc1ccccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000182689587 533594879 /nfs/dbraw/zinc/59/48/79/533594879.db2.gz XXKJAFRXEPBWDA-HNNXBMFYSA-N 1 0 348.447 3.001 20 5 EGBDRO C[C@@H](CCNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000182221133 533604608 /nfs/dbraw/zinc/60/46/08/533604608.db2.gz XBKCSKZCVWRMRE-LBPRGKRZSA-N 1 0 339.823 3.243 20 5 EGBDRO Cc1ccc([C@H](C)NC(=O)C[C@H](C)C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000237503029 141005189 /nfs/dbraw/zinc/00/51/89/141005189.db2.gz FFVMBBOXTVRLGX-KBPBESRZSA-N 1 0 333.432 3.106 20 5 EGBDRO O=[N+]([O-])c1ccn(CCN2CC[C@](F)(c3cccc(Cl)c3)C2)n1 ZINC000338370560 141110073 /nfs/dbraw/zinc/11/00/73/141110073.db2.gz WFVPINXFDYTSMC-OAHLLOKOSA-N 1 0 338.770 3.015 20 5 EGBDRO CC[C@@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000341205706 141138605 /nfs/dbraw/zinc/13/86/05/141138605.db2.gz HIYZOJMFZGCQEL-QGZVFWFLSA-N 1 0 339.395 3.225 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H](C(=O)N(C)C)C2)cc1[N+](=O)[O-] ZINC000361494817 141440551 /nfs/dbraw/zinc/44/05/51/141440551.db2.gz ACARLSOCFQCOQF-BPUTZDHNSA-N 1 0 333.432 3.201 20 5 EGBDRO CC(C)[C@@H](C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000171449604 144004387 /nfs/dbraw/zinc/00/43/87/144004387.db2.gz IQRBUZGMPZPQDK-PBHICJAKSA-N 1 0 333.432 3.283 20 5 EGBDRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000185437794 144112466 /nfs/dbraw/zinc/11/24/66/144112466.db2.gz BQVDDBMJBOKZJK-ZDUSSCGKSA-N 1 0 344.415 3.070 20 5 EGBDRO O=[N+]([O-])c1cccc(OCC[NH2+][C@H]2CCCc3c(O)cccc32)c1 ZINC000192364959 144173820 /nfs/dbraw/zinc/17/38/20/144173820.db2.gz XYPZHIMYJPZANF-KRWDZBQOSA-N 1 0 328.368 3.346 20 5 EGBDRO C[C@@H]1CN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H](C)[S@@]1=O ZINC000361654674 144344139 /nfs/dbraw/zinc/34/41/39/144344139.db2.gz LWMXTBWEPNBNJR-AHZSZHTNSA-N 1 0 348.424 3.196 20 5 EGBDRO COc1ccccc1[C@@H](CNc1c(F)cccc1[N+](=O)[O-])[NH+](C)C ZINC000341341173 155242270 /nfs/dbraw/zinc/24/22/70/155242270.db2.gz FRCXYAVYDBCXKP-OAHLLOKOSA-N 1 0 333.363 3.457 20 5 EGBDRO Cc1ccc(C[NH2+]C[C@@]2(O)CCC[C@@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000189634748 153086675 /nfs/dbraw/zinc/08/66/75/153086675.db2.gz AYMHPIJORPQURC-UKRRQHHQSA-N 1 0 346.349 3.476 20 5 EGBDRO Cc1ccc(C[NH2+]C[C@]2(O)CCC[C@@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000189634730 153086762 /nfs/dbraw/zinc/08/67/62/153086762.db2.gz AYMHPIJORPQURC-HIFRSBDPSA-N 1 0 346.349 3.476 20 5 EGBDRO COc1ccccc1[C@@H]1CCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000305184949 154090219 /nfs/dbraw/zinc/09/02/19/154090219.db2.gz PCKLLQZYSAOOQG-ROUUACIJSA-N 1 0 342.395 3.474 20 5 EGBDRO Cc1cc2ncc([C@@H](C)[NH2+]Cc3cccc([N+](=O)[O-])c3C)c(C)n2n1 ZINC000327686671 154188184 /nfs/dbraw/zinc/18/81/84/154188184.db2.gz QNOYZNRXZIQNFD-CYBMUJFWSA-N 1 0 339.399 3.414 20 5 EGBDRO O=C(c1ccc2c[nH+]cn2c1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000339959827 155053069 /nfs/dbraw/zinc/05/30/69/155053069.db2.gz NTGNUQUOVSXMAH-UHFFFAOYSA-N 1 0 336.351 3.047 20 5 EGBDRO C[NH2+]C[C@H]1CCCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000347006419 156242983 /nfs/dbraw/zinc/24/29/83/156242983.db2.gz QDTPCFKJUFDPEO-CQSZACIVSA-N 1 0 329.400 3.286 20 5 EGBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000362081277 157013566 /nfs/dbraw/zinc/01/35/66/157013566.db2.gz VWFSTQACBLLPED-CHWSQXEVSA-N 1 0 349.456 3.063 20 5 EGBDRO O=[N+]([O-])c1cnc(N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC000368590722 157232104 /nfs/dbraw/zinc/23/21/04/157232104.db2.gz DQGXQAAUMYTRLA-LSDHHAIUSA-N 1 0 344.440 3.010 20 5 EGBDRO Cc1ccc(F)c(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000093534238 162015753 /nfs/dbraw/zinc/01/57/53/162015753.db2.gz DPWHLDKBKHGVAZ-CQSZACIVSA-N 1 0 330.363 3.124 20 5 EGBDRO Cn1ncc2c1CCC[C@@H]2[N@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000093863783 162031210 /nfs/dbraw/zinc/03/12/10/162031210.db2.gz FFEGKISHWJLMEU-JKNJVXJCSA-N 1 0 326.400 3.351 20 5 EGBDRO C[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000248436795 163005347 /nfs/dbraw/zinc/00/53/47/163005347.db2.gz AXXQOTVLLQDCLJ-SIXWZSSISA-N 1 0 342.395 3.028 20 5 EGBDRO COc1cccc([C@@H](CNc2c(F)cccc2[N+](=O)[O-])[NH+](C)C)c1 ZINC000336878257 163086081 /nfs/dbraw/zinc/08/60/81/163086081.db2.gz CRFSMYGPBJXOCF-MRXNPFEDSA-N 1 0 333.363 3.457 20 5 EGBDRO CO[C@@]1(C)C[C@H]([N@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])C1(C)C ZINC000337258171 163182845 /nfs/dbraw/zinc/18/28/45/163182845.db2.gz UUQNSHVMGDFQGM-YJBOKZPZSA-N 1 0 349.431 3.059 20 5 EGBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1nc2cccnc2s1 ZINC000338390407 163221673 /nfs/dbraw/zinc/22/16/73/163221673.db2.gz XOELGHQFFXGGOQ-UHFFFAOYSA-N 1 0 328.397 3.274 20 5 EGBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@H](C2CC2)C1 ZINC000343954216 164072641 /nfs/dbraw/zinc/07/26/41/164072641.db2.gz MMHVWNTZSAYNPU-RISCZKNCSA-N 1 0 328.372 3.438 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)CC(=O)OC(C)(C)C ZINC000344216311 164128914 /nfs/dbraw/zinc/12/89/14/164128914.db2.gz INWPBQARFVFEMC-GFCCVEGCSA-N 1 0 338.404 3.203 20 5 EGBDRO C[C@H]1OCC[C@@]1(C)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000344373812 164166174 /nfs/dbraw/zinc/16/61/74/164166174.db2.gz MFFSMQIQRYWYIA-BDJLRTHQSA-N 1 0 333.413 3.375 20 5 EGBDRO C[C@H]1OCC[C@]1(C)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000344373813 164166441 /nfs/dbraw/zinc/16/64/41/164166441.db2.gz MFFSMQIQRYWYIA-BZNIZROVSA-N 1 0 333.413 3.375 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3C[C@@H]4CC[C@H](O)[C@@H]4C3)o2)cc1 ZINC000346334100 164369898 /nfs/dbraw/zinc/36/98/98/164369898.db2.gz NPOSDURZIQZIEJ-XKQJLSEDSA-N 1 0 328.368 3.058 20 5 EGBDRO O=C(c1ccc2c(c1)C[NH2+]C2)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000347547242 164519168 /nfs/dbraw/zinc/51/91/68/164519168.db2.gz GFKOMSKCRKXDFI-UHFFFAOYSA-N 1 0 337.379 3.003 20 5 EGBDRO Cc1cccc(CCC[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000353849418 165905322 /nfs/dbraw/zinc/90/53/22/165905322.db2.gz YHALSULFCWCBEB-DLBZAZTESA-N 1 0 343.431 3.201 20 5 EGBDRO CC[C@@H]1C[N@H+](Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C[C@@H]1O ZINC000355194193 166128107 /nfs/dbraw/zinc/12/81/07/166128107.db2.gz GKCIJXKHUNOPTL-PXAZEXFGSA-N 1 0 346.383 3.066 20 5 EGBDRO COc1cccc(NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000355331782 166165995 /nfs/dbraw/zinc/16/59/95/166165995.db2.gz NCBOGSAXKQLBLG-CQSZACIVSA-N 1 0 341.411 3.462 20 5 EGBDRO C[C@@H]([NH2+][C@@H](C)C(=O)N1Cc2ccccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000359045519 167048520 /nfs/dbraw/zinc/04/85/20/167048520.db2.gz IOZPVACIFGPLRB-KGLIPLIRSA-N 1 0 339.395 3.176 20 5 EGBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000359450851 167160335 /nfs/dbraw/zinc/16/03/35/167160335.db2.gz UXLNYVBGONTJQC-OAHLLOKOSA-N 1 0 337.468 3.288 20 5 EGBDRO CC[C@@H]([NH2+]C[C@@H](CO)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000360340307 167306691 /nfs/dbraw/zinc/30/66/91/167306691.db2.gz YGGOTWXQHNQFGH-QFBILLFUSA-N 1 0 328.412 3.487 20 5 EGBDRO Cc1ccc([C@H](C)NC(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000175459270 265115841 /nfs/dbraw/zinc/11/58/41/265115841.db2.gz CIJBUPIBLZTBBR-XGUBFFRZSA-N 1 0 333.432 3.342 20 5 EGBDRO COC(=O)C(C)(C)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000180037840 265394520 /nfs/dbraw/zinc/39/45/20/265394520.db2.gz OUZFCAKOSOYJLO-UHFFFAOYSA-N 1 0 332.356 3.144 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C)c1nccs1 ZINC000184435800 265465427 /nfs/dbraw/zinc/46/54/27/265465427.db2.gz FZPXGZLSSLCCBN-NSHDSACASA-N 1 0 334.401 3.039 20 5 EGBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192957648 265999556 /nfs/dbraw/zinc/99/95/56/265999556.db2.gz SZOMAXLOXHWBOP-INIZCTEOSA-N 1 0 343.431 3.054 20 5 EGBDRO CCOc1ccc(NC(=O)C[N@H+](CC2CCC2)C(C)C)c([N+](=O)[O-])c1 ZINC000193212890 266016584 /nfs/dbraw/zinc/01/65/84/266016584.db2.gz RWQKBWQBYCOLAW-UHFFFAOYSA-N 1 0 349.431 3.443 20 5 EGBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)Cc1ccccc1 ZINC000193506874 266038854 /nfs/dbraw/zinc/03/88/54/266038854.db2.gz KCOQLJOJMJCFLR-LJQANCHMSA-N 1 0 328.412 3.409 20 5 EGBDRO COC(=O)[C@H]1CC[C@@H]([NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000193872984 266070748 /nfs/dbraw/zinc/07/07/48/266070748.db2.gz XYFJULIHEZIRID-QMCVQRASSA-N 1 0 346.427 3.237 20 5 EGBDRO CC[NH+](CC)[C@@H](CNC(=O)c1c(C)cccc1[N+](=O)[O-])CC(C)C ZINC000194702228 266137695 /nfs/dbraw/zinc/13/76/95/266137695.db2.gz QJOGGQONEIVPNO-OAHLLOKOSA-N 1 0 335.448 3.390 20 5 EGBDRO C[C@H](Cn1ccnc1)[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000270047007 266408134 /nfs/dbraw/zinc/40/81/34/266408134.db2.gz UCVBYYKERUZYBF-INMHGKMJSA-N 1 0 328.416 3.181 20 5 EGBDRO CCOc1ccc([C@@H](C)[NH2+]CCCn2ccnc2C)cc1[N+](=O)[O-] ZINC000271143840 266609030 /nfs/dbraw/zinc/60/90/30/266609030.db2.gz OXMYMSNEYGSQIW-CYBMUJFWSA-N 1 0 332.404 3.239 20 5 EGBDRO CC(C)[C@@H]1C[C@H]([NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)CCO1 ZINC000271607686 266694208 /nfs/dbraw/zinc/69/42/08/266694208.db2.gz WLXGLUZFUSGNGX-UNEWFSDZSA-N 1 0 349.431 3.105 20 5 EGBDRO COc1cc(C[NH2+][C@@H]2CC=CCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272440156 266842669 /nfs/dbraw/zinc/84/26/69/266842669.db2.gz OMMJAWSZOPODMI-GFCCVEGCSA-N 1 0 342.342 3.446 20 5 EGBDRO CCC[NH+]1CCC(N(C)C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000273346277 267024300 /nfs/dbraw/zinc/02/43/00/267024300.db2.gz BTXBRMYKQLFAMD-UHFFFAOYSA-N 1 0 338.383 3.072 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000274232026 267202441 /nfs/dbraw/zinc/20/24/41/267202441.db2.gz FAOQLDVXAFQCDC-CQSZACIVSA-N 1 0 348.447 3.406 20 5 EGBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 ZINC000277088382 267693311 /nfs/dbraw/zinc/69/33/11/267693311.db2.gz BEAAULDWRJBIBJ-CYBMUJFWSA-N 1 0 347.440 3.366 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H]1COC3(CCCC3)O1)CCC2 ZINC000278377174 268000067 /nfs/dbraw/zinc/00/00/67/268000067.db2.gz CQLNEOSFTNOOCR-DOTOQJQBSA-N 1 0 332.400 3.248 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2csc([C@H]3C[N@@H+]4CCC[C@H]4CO3)n2)cc1 ZINC000363447012 275034606 /nfs/dbraw/zinc/03/46/06/275034606.db2.gz RVCIHMAGIYEKMH-DZGCQCFKSA-N 1 0 331.397 3.254 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H](NC1CC[NH+](CC3CC3)CC1)CCC2 ZINC000192700131 275038072 /nfs/dbraw/zinc/03/80/72/275038072.db2.gz OFEZHRUAUYACTL-LJQANCHMSA-N 1 0 329.444 3.436 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1ccc(-n3ccnc3)nc1)CCC2 ZINC000373921241 275038473 /nfs/dbraw/zinc/03/84/73/275038473.db2.gz IHWZCGBDGXWZKI-GOSISDBHSA-N 1 0 349.394 3.343 20 5 EGBDRO Cc1c(C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000045830947 275134895 /nfs/dbraw/zinc/13/48/95/275134895.db2.gz MHLLDDDJXGBURJ-QGZVFWFLSA-N 1 0 333.432 3.144 20 5 EGBDRO CC1(C)C[C@@H]([NH2+]Cc2cccc(C(N)=O)c2)c2cc([N+](=O)[O-])ccc21 ZINC000279167800 275309477 /nfs/dbraw/zinc/30/94/77/275309477.db2.gz UOMJBLBHOGZDKM-QGZVFWFLSA-N 1 0 339.395 3.206 20 5 EGBDRO O=[N+]([O-])c1cc(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc(C(F)(F)F)c1 ZINC000279556969 275339882 /nfs/dbraw/zinc/33/98/82/275339882.db2.gz RKLAQOBEFPLHQX-UONOGXRCSA-N 1 0 343.349 3.330 20 5 EGBDRO CCC(=O)c1ccc(N2CC[C@@H](C[NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000280774536 275494442 /nfs/dbraw/zinc/49/44/42/275494442.db2.gz SDSCXMMVINKKEZ-AWEZNQCLSA-N 1 0 331.416 3.110 20 5 EGBDRO CC(C)[NH+]1CCC(NC(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000284168861 275779375 /nfs/dbraw/zinc/77/93/75/275779375.db2.gz WWLOEXBLGUWIAB-UHFFFAOYSA-N 1 0 340.811 3.243 20 5 EGBDRO CCC[N@H+](C)C[C@H]1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000286442925 276001675 /nfs/dbraw/zinc/00/16/75/276001675.db2.gz NQXRCGWGFHULIF-GFCCVEGCSA-N 1 0 327.375 3.037 20 5 EGBDRO CC(C)c1ccc(C[NH2+][C@@H](C2CC2)[C@@]2(CO)CCCO2)cc1[N+](=O)[O-] ZINC000354724083 276053664 /nfs/dbraw/zinc/05/36/64/276053664.db2.gz RRTAFNOYLGSSHH-OALUTQOASA-N 1 0 348.443 3.128 20 5 EGBDRO CC[NH+](CC)CCOC1CCN(c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000337251444 276099914 /nfs/dbraw/zinc/09/99/14/276099914.db2.gz QZPGEAFPVOYRHT-UHFFFAOYSA-N 1 0 335.448 3.230 20 5 EGBDRO CC[N@@H+]1CCCN(Cc2cc(=O)oc3ccc4ccccc4c23)CC1 ZINC000158211929 276164349 /nfs/dbraw/zinc/16/43/49/276164349.db2.gz KYSMMPUCVIOJNA-UHFFFAOYSA-N 1 0 336.435 3.474 20 5 EGBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H](c1ccco1)[NH+](CC)CC ZINC000288187668 276189433 /nfs/dbraw/zinc/18/94/33/276189433.db2.gz RQJGRZKOEJSSTM-ZDUSSCGKSA-N 1 0 335.408 3.208 20 5 EGBDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(N)cc1[N+](=O)[O-] ZINC000288369109 276206838 /nfs/dbraw/zinc/20/68/38/276206838.db2.gz LDLOAIXHLFVTTL-INIZCTEOSA-N 1 0 340.427 3.135 20 5 EGBDRO Cc1nnc(CC[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])s1 ZINC000289558229 276357660 /nfs/dbraw/zinc/35/76/60/276357660.db2.gz AFGARQRXWKLEIE-HIFRSBDPSA-N 1 0 346.456 3.298 20 5 EGBDRO CCO[C@H]1C[C@@H]([N@H+](C)Cc2cc([N+](=O)[O-])ccc2OC)C12CCC2 ZINC000357785097 276361571 /nfs/dbraw/zinc/36/15/71/276361571.db2.gz HUKVQRGEPIHWDD-SJORKVTESA-N 1 0 334.416 3.383 20 5 EGBDRO Cc1ccc(C[N@@H+]2CCC[C@@](O)(C(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC000289652806 276372655 /nfs/dbraw/zinc/37/26/55/276372655.db2.gz MUELNSSCDAZVSM-AWEZNQCLSA-N 1 0 332.322 3.183 20 5 EGBDRO COCCOCc1ccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000289685681 276378193 /nfs/dbraw/zinc/37/81/93/276378193.db2.gz JTWXEGNVQOBSSA-UHFFFAOYSA-N 1 0 344.411 3.090 20 5 EGBDRO Cc1nnc(CC[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])s1 ZINC000291624866 276667987 /nfs/dbraw/zinc/66/79/87/276667987.db2.gz RXBIGZDOTQUJJC-UHFFFAOYSA-N 1 0 347.227 3.394 20 5 EGBDRO C[N@@H+]1CCCC12CCN(c1ccc3cc([N+](=O)[O-])ccc3n1)CC2 ZINC000364639261 277042562 /nfs/dbraw/zinc/04/25/62/277042562.db2.gz UQGLVCUSGORZKR-UHFFFAOYSA-N 1 0 326.400 3.208 20 5 EGBDRO CC(C)c1ccc(C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000187829235 278032711 /nfs/dbraw/zinc/03/27/11/278032711.db2.gz SYDXXKKUYUMUJU-GJZGRUSLSA-N 1 0 333.432 3.321 20 5 EGBDRO C[C@@H](C[NH+]1CCCCCC1)Nc1ncnc2cccc([N+](=O)[O-])c21 ZINC000355782868 278255855 /nfs/dbraw/zinc/25/58/55/278255855.db2.gz GKDYGLPVPCBPLB-ZDUSSCGKSA-N 1 0 329.404 3.214 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000365306541 280397456 /nfs/dbraw/zinc/39/74/56/280397456.db2.gz GCZHTJWVSVIHIZ-HNNXBMFYSA-N 1 0 333.432 3.076 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000125730388 281009035 /nfs/dbraw/zinc/00/90/35/281009035.db2.gz XUSBIKVHZKUQFQ-OAHLLOKOSA-N 1 0 348.447 3.311 20 5 EGBDRO COC(=O)[C@@]1(C)CCCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000413581580 309038265 /nfs/dbraw/zinc/03/82/65/309038265.db2.gz BKRFGZKSNDHMMW-SFHVURJKSA-N 1 0 343.383 3.231 20 5 EGBDRO CC(C)[NH+](CCNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000057508280 307346946 /nfs/dbraw/zinc/34/69/46/307346946.db2.gz VDDRTLQRCHVCLT-AWEZNQCLSA-N 1 0 336.436 3.074 20 5 EGBDRO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000066474636 307362538 /nfs/dbraw/zinc/36/25/38/307362538.db2.gz SJQSBJDJKMRTTN-WBVHZDCISA-N 1 0 347.459 3.154 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000067595138 307366687 /nfs/dbraw/zinc/36/66/87/307366687.db2.gz LUROGRGZZNWVAQ-UHFFFAOYSA-N 1 0 341.411 3.107 20 5 EGBDRO CCC(CC)(C[NH2+]Cc1c(Cl)cccc1[N+](=O)[O-])C(=O)OC ZINC000119531971 307496751 /nfs/dbraw/zinc/49/67/51/307496751.db2.gz VXOSNDOPWQJBEU-UHFFFAOYSA-N 1 0 328.796 3.317 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC000248418291 308002564 /nfs/dbraw/zinc/00/25/64/308002564.db2.gz KFBLGIYXUCNLQG-NOLJZWGESA-N 1 0 347.415 3.052 20 5 EGBDRO Cc1cc(N2CC[C@H](C[NH+](C)C)C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000292962454 308084650 /nfs/dbraw/zinc/08/46/50/308084650.db2.gz DAOMFMLBOORKFA-LLVKDONJSA-N 1 0 331.338 3.310 20 5 EGBDRO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C[C@@H]1CCCOC1 ZINC000293005636 308089469 /nfs/dbraw/zinc/08/94/69/308089469.db2.gz HBWFKFWFSMISSL-NSHDSACASA-N 1 0 332.322 3.472 20 5 EGBDRO CCC[C@@H](C)C(=O)NCC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000293848028 308167587 /nfs/dbraw/zinc/16/75/87/308167587.db2.gz YEAUMPDMAVPERK-PBHICJAKSA-N 1 0 347.459 3.058 20 5 EGBDRO Cc1nnsc1C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000293896286 308172045 /nfs/dbraw/zinc/17/20/45/308172045.db2.gz ZIVYGJAPESUMQA-TZMCWYRMSA-N 1 0 332.429 3.256 20 5 EGBDRO C[C@H](C[C@@H](O)c1ccccc1)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294776640 308255891 /nfs/dbraw/zinc/25/58/91/308255891.db2.gz NONXHMUCIFZRJS-FHSNZYRGSA-N 1 0 329.400 3.340 20 5 EGBDRO CC(C)(C[C@H]1CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1)C(N)=O ZINC000294909239 308270517 /nfs/dbraw/zinc/27/05/17/308270517.db2.gz XXXCRILBWDBRBC-RZIFZGNASA-N 1 0 345.443 3.222 20 5 EGBDRO C[C@@H]([NH2+]CCc1nc2c(s1)CCCC2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294965713 308276940 /nfs/dbraw/zinc/27/69/40/308276940.db2.gz ZDJBPHFKACHDAP-LLVKDONJSA-N 1 0 346.456 3.406 20 5 EGBDRO C[C@@H](CC(=O)N1CCCCCC1)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296059809 308389433 /nfs/dbraw/zinc/38/94/33/308389433.db2.gz PGZZKZMQIJKDCW-GJZGRUSLSA-N 1 0 333.432 3.427 20 5 EGBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000297243374 308513664 /nfs/dbraw/zinc/51/36/64/308513664.db2.gz ISGKPOSIIYJTIG-WDEREUQCSA-N 1 0 330.344 3.497 20 5 EGBDRO Cc1cc(N(C)C[C@@H]2CCCC[C@@H]2O)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302094560 308729032 /nfs/dbraw/zinc/72/90/32/308729032.db2.gz RGWWKUJKXYWPBV-UGSOOPFHSA-N 1 0 329.400 3.439 20 5 EGBDRO O=C(NCCC[NH+]1CCCCCC1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000411152376 308928796 /nfs/dbraw/zinc/92/87/96/308928796.db2.gz GCLQRFIKXBBNOA-ZWKOTPCHSA-N 1 0 345.443 3.081 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1[C@H](C)CCC[C@H]1C ZINC000411281484 308933371 /nfs/dbraw/zinc/93/33/71/308933371.db2.gz TYJGJHGOMRCGFU-CHWSQXEVSA-N 1 0 335.404 3.195 20 5 EGBDRO COC1([C@H](C)[NH2+]CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CCC1 ZINC000412025197 308963406 /nfs/dbraw/zinc/96/34/06/308963406.db2.gz PJANUXFENIQSRK-ZDUSSCGKSA-N 1 0 345.399 3.340 20 5 EGBDRO C[N@H+](CCNc1ncc([N+](=O)[O-])cc1C(F)(F)F)C1CCCC1 ZINC000413120198 309017070 /nfs/dbraw/zinc/01/70/70/309017070.db2.gz AXMFYSFTEDCTRM-UHFFFAOYSA-N 1 0 332.326 3.295 20 5 EGBDRO C[NH+](C)[C@@H]1CCC[C@@H](Nc2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000413163959 309019039 /nfs/dbraw/zinc/01/90/39/309019039.db2.gz BXUBCNKMHANOEF-NXEZZACHSA-N 1 0 332.326 3.293 20 5 EGBDRO C[C@@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2F)C[N@@H+]1Cc1ccccc1 ZINC000413187013 309020276 /nfs/dbraw/zinc/02/02/76/309020276.db2.gz QPGWATUOHUEUHL-TZMCWYRMSA-N 1 0 330.363 3.204 20 5 EGBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Nc1ncc([N+](=O)[O-])cc1F ZINC000413238343 309023102 /nfs/dbraw/zinc/02/31/02/309023102.db2.gz SSTUPUXSNQVHKJ-LRDDRELGSA-N 1 0 330.363 3.061 20 5 EGBDRO CCC[C@H](C)C(=O)NCCNc1nccc2ccc([N+](=O)[O-])cc21 ZINC000413304906 309025864 /nfs/dbraw/zinc/02/58/64/309025864.db2.gz QPBSSCBELUGTFH-LBPRGKRZSA-N 1 0 330.388 3.107 20 5 EGBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(c2ccc([N+](=O)[O-])c3ncccc23)C[C@@H](C)C1 ZINC000413306192 309026009 /nfs/dbraw/zinc/02/60/09/309026009.db2.gz UTWQSJOKOLCQCV-QWQRMKEZSA-N 1 0 340.427 3.310 20 5 EGBDRO COc1ccc(-c2ccc(CN[C@@H]3CC[NH2+][C@@H](C)C3)o2)c([N+](=O)[O-])c1 ZINC000414954682 309111354 /nfs/dbraw/zinc/11/13/54/309111354.db2.gz SWIUDUYNEBKMNT-QWHCGFSZSA-N 1 0 345.399 3.094 20 5 EGBDRO CCCC[C@H](C[NH3+])NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000415438317 309133378 /nfs/dbraw/zinc/13/33/78/309133378.db2.gz LVPDYQMLBJDQTH-SNVBAGLBSA-N 1 0 348.325 3.253 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000415487710 309134909 /nfs/dbraw/zinc/13/49/09/309134909.db2.gz ULXCHVIBJXMDPR-HNNXBMFYSA-N 1 0 334.420 3.111 20 5 EGBDRO CCNC(=O)C1(C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CCC1 ZINC000417338083 309202234 /nfs/dbraw/zinc/20/22/34/309202234.db2.gz YAXAIHBHPDVRBP-QGZVFWFLSA-N 1 0 345.443 3.258 20 5 EGBDRO COC1(C(F)(F)F)CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000419331101 309264643 /nfs/dbraw/zinc/26/46/43/309264643.db2.gz QLMPAUSAEXPVOC-UHFFFAOYSA-N 1 0 348.321 3.017 20 5 EGBDRO CC(C)(C(=O)NCCC[NH2+]C1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000419901176 309273095 /nfs/dbraw/zinc/27/30/95/309273095.db2.gz SPCFTUOOHDGHHH-UHFFFAOYSA-N 1 0 347.459 3.301 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CC[C@H]3CC[C@@H](C2)[NH2+]3)nc1-c1ccc(F)cc1 ZINC000420196642 309276945 /nfs/dbraw/zinc/27/69/45/309276945.db2.gz INARGROVQAAGHH-CABCVRRESA-N 1 0 342.374 3.127 20 5 EGBDRO C[C@H]1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)[C@H](C[NH3+])C1 ZINC000420261256 309278515 /nfs/dbraw/zinc/27/85/15/309278515.db2.gz PGJQNWOJEZNWKH-FZMZJTMJSA-N 1 0 332.429 3.282 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1N1CCC2(CC[NH2+]C2)CC1 ZINC000420265531 309278626 /nfs/dbraw/zinc/27/86/26/309278626.db2.gz WCGHASIPNNPDEU-UHFFFAOYSA-N 1 0 330.215 3.482 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000421744189 309338110 /nfs/dbraw/zinc/33/81/10/309338110.db2.gz MUFSQZWFMIIOMV-MRXNPFEDSA-N 1 0 347.440 3.306 20 5 EGBDRO CC(C)c1ccc(C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)cc1[N+](=O)[O-] ZINC000423431143 309399989 /nfs/dbraw/zinc/39/99/89/309399989.db2.gz AOEJDSVZVLCQAJ-KRWDZBQOSA-N 1 0 345.443 3.322 20 5 EGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1NCCc2ccccc21 ZINC000423430165 309400122 /nfs/dbraw/zinc/40/01/22/309400122.db2.gz POCIXDQLGHPFJH-KSSFIOAISA-N 1 0 325.412 3.002 20 5 EGBDRO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000430816470 309618350 /nfs/dbraw/zinc/61/83/50/309618350.db2.gz MQXLYPBTPAOVQX-FUHWJXTLSA-N 1 0 347.459 3.154 20 5 EGBDRO CC1(C)C[C@@H]([NH2+][C@H](CO)CC(F)(F)F)c2cc([N+](=O)[O-])ccc21 ZINC000433301524 309685170 /nfs/dbraw/zinc/68/51/70/309685170.db2.gz GLWGCTQCWPIWEG-TVQRCGJNSA-N 1 0 332.322 3.220 20 5 EGBDRO O=[N+]([O-])c1ccccc1CN(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000435614760 309736365 /nfs/dbraw/zinc/73/63/65/309736365.db2.gz FODIEWUSWBUPFO-SFHVURJKSA-N 1 0 340.427 3.134 20 5 EGBDRO CN(C)c1cccc(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000447542185 309981558 /nfs/dbraw/zinc/98/15/58/309981558.db2.gz OMXPWAITWZJLBS-SJORKVTESA-N 1 0 343.431 3.131 20 5 EGBDRO COCc1cccc(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000447544096 309981657 /nfs/dbraw/zinc/98/16/57/309981657.db2.gz NFPKHZSYIAGPOT-SJORKVTESA-N 1 0 344.415 3.211 20 5 EGBDRO CCC(CC)(CCO)C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447564951 309982497 /nfs/dbraw/zinc/98/24/97/309982497.db2.gz ZTIGWNKUZGEWQI-LSDHHAIUSA-N 1 0 338.452 3.053 20 5 EGBDRO C[C@H](C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)Oc1ccccc1 ZINC000447582396 309983160 /nfs/dbraw/zinc/98/31/60/309983160.db2.gz ZMDOOKYCGGSPHR-PVAVHDDUSA-N 1 0 344.415 3.332 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@H](CO)Cc1ccc(F)cc1)CCC2 ZINC000447585608 309983363 /nfs/dbraw/zinc/98/33/63/309983363.db2.gz KWEMLCNLTBNKPO-LPHOPBHVSA-N 1 0 344.386 3.305 20 5 EGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCC[C@H]2CCCCO2)n1 ZINC000447604700 309984260 /nfs/dbraw/zinc/98/42/60/309984260.db2.gz CIGPOTYZZOSWNP-BZUAXINKSA-N 1 0 336.436 3.214 20 5 EGBDRO COc1ccc(OCC[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000449066722 310034266 /nfs/dbraw/zinc/03/42/66/310034266.db2.gz FACSTVKOSUKQIH-AWEZNQCLSA-N 1 0 330.384 3.203 20 5 EGBDRO C[NH2+][C@@H](CC(C)(C)C)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000449165676 310041721 /nfs/dbraw/zinc/04/17/21/310041721.db2.gz WZHANYQUWQZJTL-HNNXBMFYSA-N 1 0 333.432 3.110 20 5 EGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC[C@@H]1COc2ccccc2O1 ZINC000449183697 310042884 /nfs/dbraw/zinc/04/28/84/310042884.db2.gz DXFOFTXGKYUJCV-GDBMZVCRSA-N 1 0 342.395 3.346 20 5 EGBDRO CC(C)c1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449193350 310043655 /nfs/dbraw/zinc/04/36/55/310043655.db2.gz NGOVPFBDSRTBNA-HIFRSBDPSA-N 1 0 343.431 3.365 20 5 EGBDRO COc1cc(C[NH2+]C[C@@H]2CSc3ccccc32)c([N+](=O)[O-])cc1O ZINC000449361866 310056771 /nfs/dbraw/zinc/05/67/71/310056771.db2.gz JWLNEUPHVZCUNA-GFCCVEGCSA-N 1 0 346.408 3.288 20 5 EGBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CCCC1(F)F ZINC000449497362 310066771 /nfs/dbraw/zinc/06/67/71/310066771.db2.gz RCQSVABKUKFEAB-RYUDHWBXSA-N 1 0 341.358 3.337 20 5 EGBDRO NC(=O)c1cccc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000449496871 310066782 /nfs/dbraw/zinc/06/67/82/310066782.db2.gz HWMXZFZMLDFXQF-QGZVFWFLSA-N 1 0 339.395 3.073 20 5 EGBDRO C[C@H](c1ccccc1)[C@H](O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000450483523 310125435 /nfs/dbraw/zinc/12/54/35/310125435.db2.gz IWRWCZMGWZHOTJ-AUUYWEPGSA-N 1 0 326.396 3.118 20 5 EGBDRO Cc1ccnc(N2CC[N@H+](Cc3ccccc3)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000450812685 310143752 /nfs/dbraw/zinc/14/37/52/310143752.db2.gz QPAZBFFVCYCEOE-OAHLLOKOSA-N 1 0 340.427 3.257 20 5 EGBDRO C[C@H]([NH2+]CC(=O)N1c2ccccc2C[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000451100997 310160486 /nfs/dbraw/zinc/16/04/86/310160486.db2.gz ZXQMEVGIEHRPRW-KBPBESRZSA-N 1 0 339.395 3.223 20 5 EGBDRO CCc1cccc(NC(=O)C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000451099940 310160515 /nfs/dbraw/zinc/16/05/15/310160515.db2.gz OBHIIYDRAYBENT-ZDUSSCGKSA-N 1 0 327.384 3.447 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2noc(C[NH2+][C@H]3CCC34CCCC4)n2)cc1 ZINC000451455501 310179241 /nfs/dbraw/zinc/17/92/41/310179241.db2.gz JYNAGRZPGJATSS-AWEZNQCLSA-N 1 0 328.372 3.457 20 5 EGBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2c(F)cc([N+](=O)[O-])cc2F)C12CCC2 ZINC000451477391 310180226 /nfs/dbraw/zinc/18/02/26/310180226.db2.gz HTOJVWHQZGSHBU-LSDHHAIUSA-N 1 0 326.343 3.310 20 5 EGBDRO CCCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451542785 310184160 /nfs/dbraw/zinc/18/41/60/310184160.db2.gz AFJCVPGEWYWVPL-ZBFHGGJFSA-N 1 0 333.432 3.079 20 5 EGBDRO C[C@@H](C(=O)N1CCCCC1)[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451547141 310184996 /nfs/dbraw/zinc/18/49/96/310184996.db2.gz KIKYXZGRPSISAN-DOTOQJQBSA-N 1 0 345.443 3.175 20 5 EGBDRO C[C@@H](C(=O)NC1CCCC1)[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451547650 310185064 /nfs/dbraw/zinc/18/50/64/310185064.db2.gz LIUUQRYSQYDGBS-HOCLYGCPSA-N 1 0 345.443 3.222 20 5 EGBDRO CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451549223 310185252 /nfs/dbraw/zinc/18/52/52/310185252.db2.gz PFIVNMKINDJHKE-ZBFHGGJFSA-N 1 0 333.432 3.030 20 5 EGBDRO O=C(C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)N1CCCCCC1 ZINC000451556904 310186324 /nfs/dbraw/zinc/18/63/24/310186324.db2.gz DUXSICYQMBBZMZ-QGZVFWFLSA-N 1 0 345.443 3.177 20 5 EGBDRO Cc1c(CC(=O)N[C@@H](CC(C)C)C[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000452345076 310224225 /nfs/dbraw/zinc/22/42/25/310224225.db2.gz PYELERDGOSMYAL-KRWDZBQOSA-N 1 0 347.459 3.072 20 5 EGBDRO C[C@@H](CCCc1cccnc1)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000453139388 310260460 /nfs/dbraw/zinc/26/04/60/310260460.db2.gz JSFNIDHAYFEWHT-HNNXBMFYSA-N 1 0 329.400 3.370 20 5 EGBDRO C[C@H](Cc1cnccn1)[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000453214389 310264525 /nfs/dbraw/zinc/26/45/25/310264525.db2.gz JRDRXQONRYYXPN-SNVBAGLBSA-N 1 0 340.305 3.124 20 5 EGBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCO[C@H](c3ccnn3C)C2)cccc1[N+](=O)[O-] ZINC000453339220 310271894 /nfs/dbraw/zinc/27/18/94/310271894.db2.gz KNMZGRGSNIGTGK-IYOUNJFTSA-N 1 0 344.415 3.208 20 5 EGBDRO CC[C@H]1C[N@H+](CC)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000454225028 310298149 /nfs/dbraw/zinc/29/81/49/310298149.db2.gz WLAIPYQKXTUVSS-NSHDSACASA-N 1 0 340.811 3.196 20 5 EGBDRO CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000456196208 310392984 /nfs/dbraw/zinc/39/29/84/310392984.db2.gz WQMYQTOEBJXDQZ-STQMWFEESA-N 1 0 334.420 3.226 20 5 EGBDRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)c3ccccc3[N+](=O)[O-])ccc21 ZINC000456273007 310395950 /nfs/dbraw/zinc/39/59/50/310395950.db2.gz LVPAIMVODXIVTO-MRXNPFEDSA-N 1 0 325.368 3.396 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H](CO)Cc1ccccc1C ZINC000468610661 310691198 /nfs/dbraw/zinc/69/11/98/310691198.db2.gz UBNLFXFYZHIMES-XATQLNLPSA-N 1 0 340.423 3.500 20 5 EGBDRO Cc1nc(N(CC[NH+](C)C)Cc2cccc(F)c2)ccc1[N+](=O)[O-] ZINC000471748062 310745412 /nfs/dbraw/zinc/74/54/12/310745412.db2.gz JDONIPMLPSEOHW-UHFFFAOYSA-N 1 0 332.379 3.006 20 5 EGBDRO CCc1ccc(C(=O)N2CC[NH+](CCC(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000471789147 310747029 /nfs/dbraw/zinc/74/70/29/310747029.db2.gz CRMWUPCUAMJWOF-UHFFFAOYSA-N 1 0 347.459 3.351 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H]1CCCO[C@H]1CC(C)C ZINC000481723420 310920149 /nfs/dbraw/zinc/92/01/49/310920149.db2.gz AZYKMDGOIMAPPY-ZBFHGGJFSA-N 1 0 349.431 3.025 20 5 EGBDRO C[NH+](C)C1(CNC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])CCCC1 ZINC000487529313 311027578 /nfs/dbraw/zinc/02/75/78/311027578.db2.gz WYAXSRLSWQERAB-UHFFFAOYSA-N 1 0 348.447 3.004 20 5 EGBDRO C[NH+](C)[C@@H](CNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC000491026472 311161259 /nfs/dbraw/zinc/16/12/59/311161259.db2.gz UMVGUISZZUGRDG-SBSDFTTDSA-N 1 0 345.424 3.089 20 5 EGBDRO O=C(/C=C\c1ccccc1[N+](=O)[O-])N1CCC([NH+]2CCCCC2)CC1 ZINC000491260806 311170739 /nfs/dbraw/zinc/17/07/39/311170739.db2.gz CGAUKHKYAZATDA-HJWRWDBZSA-N 1 0 343.427 3.085 20 5 EGBDRO CCCC[C@H]1CCC[C@H]1[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000492846900 311298559 /nfs/dbraw/zinc/29/85/59/311298559.db2.gz KNNXMUPNCFIAQH-WMLDXEAASA-N 1 0 345.443 3.432 20 5 EGBDRO COc1ccc2c(c1)OC[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)C2 ZINC000504387618 312005094 /nfs/dbraw/zinc/00/50/94/312005094.db2.gz KOIVCYZAORAFMJ-DOMZBBRYSA-N 1 0 328.368 3.258 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000510363861 312139109 /nfs/dbraw/zinc/13/91/09/312139109.db2.gz NHNLWJNAJOHDMX-VNHYZAJKSA-N 1 0 348.447 3.391 20 5 EGBDRO C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CCN1C ZINC000513831481 312218615 /nfs/dbraw/zinc/21/86/15/312218615.db2.gz SAIGIKPQLVRFAP-ATLSCFEFSA-N 1 0 331.460 3.378 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@@H](CO)Cc1ccco1)CCC2 ZINC000520332986 312501239 /nfs/dbraw/zinc/50/12/39/312501239.db2.gz WNGOOULJFZHMQZ-UGSOOPFHSA-N 1 0 330.384 3.006 20 5 EGBDRO O=C(NCCC[NH2+]C1CCCCC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000522900379 312604128 /nfs/dbraw/zinc/60/41/28/312604128.db2.gz WJTPNRNAXWAMNH-UHFFFAOYSA-N 1 0 339.823 3.290 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1cccc(-n2cncn2)c1 ZINC000531712042 313704455 /nfs/dbraw/zinc/70/44/55/313704455.db2.gz DFENURQJHPTINC-AWEZNQCLSA-N 1 0 337.383 3.335 20 5 EGBDRO CO[C@]1(C)C[C@H]([NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000531984241 313739737 /nfs/dbraw/zinc/73/97/37/313739737.db2.gz QSNGJAZORXWRKD-XLWVJDPXSA-N 1 0 349.431 3.105 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H](CC(C)C)N1CCOCC1 ZINC000531989187 313740256 /nfs/dbraw/zinc/74/02/56/313740256.db2.gz IFHPKGGMKIJLCZ-SJLPKXTDSA-N 1 0 349.475 3.301 20 5 EGBDRO CNC(=O)c1ccc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000532202222 313768644 /nfs/dbraw/zinc/76/86/44/313768644.db2.gz KXPWFUMZRSKNGI-CYBMUJFWSA-N 1 0 327.384 3.114 20 5 EGBDRO CC(C)(C)C1=CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000535375595 314043093 /nfs/dbraw/zinc/04/30/93/314043093.db2.gz PLPAHPFQTQNDTA-INIZCTEOSA-N 1 0 334.416 3.013 20 5 EGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(OC[C@@H]2CCOC2)CC1 ZINC000536372192 314109597 /nfs/dbraw/zinc/10/95/97/314109597.db2.gz VWZDEHOBCHOVIJ-LSDHHAIUSA-N 1 0 334.416 3.173 20 5 EGBDRO CCOc1cc(N2CC[C@@H](C[N@H+](C)CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000536621454 314132002 /nfs/dbraw/zinc/13/20/02/314132002.db2.gz MNEDUDCOACYLCN-HNNXBMFYSA-N 1 0 333.432 3.162 20 5 EGBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000537956374 314219806 /nfs/dbraw/zinc/21/98/06/314219806.db2.gz OELFELPMVOTKKM-HIFRSBDPSA-N 1 0 347.415 3.003 20 5 EGBDRO Cc1ccc(CN2CCO[C@H](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000538494385 314249840 /nfs/dbraw/zinc/24/98/40/314249840.db2.gz REYACXJXWZMXBX-GOSISDBHSA-N 1 0 326.396 3.347 20 5 EGBDRO COC[C@H](Cc1ccccc1)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000539513311 314318696 /nfs/dbraw/zinc/31/86/96/314318696.db2.gz WJELSWOHROIMJJ-DBEXCURXSA-N 1 0 326.396 3.455 20 5 EGBDRO Cc1cccc(CCC[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1 ZINC000539790948 314337946 /nfs/dbraw/zinc/33/79/46/314337946.db2.gz XYFSLZWURBHPFG-UHFFFAOYSA-N 1 0 340.427 3.053 20 5 EGBDRO COc1ccc([C@H](C)[NH2+]CCOc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC000540329920 314374396 /nfs/dbraw/zinc/37/43/96/314374396.db2.gz NGVXPKQRVBWKKN-ZDUSSCGKSA-N 1 0 346.383 3.342 20 5 EGBDRO CCC[N@@H+]1CCC[C@H]1CNc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000553722929 315278200 /nfs/dbraw/zinc/27/82/00/315278200.db2.gz NRRBKERDZAQBNQ-LBPRGKRZSA-N 1 0 329.347 3.483 20 5 EGBDRO C[C@@H](C(=O)NCc1cccc(C[NH+](C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000562390280 315827581 /nfs/dbraw/zinc/82/75/81/315827581.db2.gz OICJUBJKANKMRO-CQSZACIVSA-N 1 0 341.411 3.076 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC([C@H]2NC(=O)C2(C)C)CC1 ZINC000562477678 315839387 /nfs/dbraw/zinc/83/93/87/315839387.db2.gz NFQSMPZVTFZHQX-CXAGYDPISA-N 1 0 345.443 3.201 20 5 EGBDRO CCOc1cccc(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000564845524 316216248 /nfs/dbraw/zinc/21/62/48/316216248.db2.gz ULTJBDSAHSVGQN-UHFFFAOYSA-N 1 0 343.383 3.112 20 5 EGBDRO C[C@H]([NH2+]C[C@@H]1CN(c2ccccc2)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000566417407 316471746 /nfs/dbraw/zinc/47/17/46/316471746.db2.gz XTMFUQOACJPGJR-HNAYVOBHSA-N 1 0 341.411 3.151 20 5 EGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCN1CCc2sccc2C1 ZINC000566475985 316483363 /nfs/dbraw/zinc/48/33/63/316483363.db2.gz RNZJNXADCMFFRH-INIZCTEOSA-N 1 0 343.452 3.292 20 5 EGBDRO Cc1cccc(NCC[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)n1 ZINC000570126582 317010810 /nfs/dbraw/zinc/01/08/10/317010810.db2.gz GOCYKBWUYDYOOH-KRWDZBQOSA-N 1 0 326.400 3.377 20 5 EGBDRO Cc1cccc(NCC[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)n1 ZINC000570126583 317010843 /nfs/dbraw/zinc/01/08/43/317010843.db2.gz GOCYKBWUYDYOOH-QGZVFWFLSA-N 1 0 326.400 3.377 20 5 EGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000571655935 317229884 /nfs/dbraw/zinc/22/98/84/317229884.db2.gz WUHSRODBGHVUPB-OAHLLOKOSA-N 1 0 326.352 3.143 20 5 EGBDRO CC[N@H+](CCNc1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000227347947 456115182 /nfs/dbraw/zinc/11/51/82/456115182.db2.gz JVQIUCDYKPUQLS-UHFFFAOYSA-N 1 0 328.210 3.254 20 5 EGBDRO CC(C)[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000023677990 323213336 /nfs/dbraw/zinc/21/33/36/323213336.db2.gz XNRYITIAGLVBBN-HKUYNNGSSA-N 1 0 344.411 3.321 20 5 EGBDRO CCOCCC[N@@H+]1CC[C@H](N[C@@H](C)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000173420242 323295535 /nfs/dbraw/zinc/29/55/35/323295535.db2.gz AVSXQXSQTZTOES-GJYPPUQNSA-N 1 0 349.475 3.382 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CC[C@@H](CCCO)C3)o2)cc1 ZINC000449792819 324343084 /nfs/dbraw/zinc/34/30/84/324343084.db2.gz UVWVJWJXZXVELG-CQSZACIVSA-N 1 0 330.384 3.449 20 5 EGBDRO Cc1c(C[NH2+][C@H](C[S@@](C)=O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000183089132 455226082 /nfs/dbraw/zinc/22/60/82/455226082.db2.gz YYGWPJWVKBHTEO-WAIKUNEKSA-N 1 0 332.425 3.113 20 5 EGBDRO Cc1ccc([C@@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)N2CCCC2)o1 ZINC000237888205 455229696 /nfs/dbraw/zinc/22/96/96/455229696.db2.gz YRLFGUKDDZWRRM-CQSZACIVSA-N 1 0 335.429 3.484 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000173109232 455232680 /nfs/dbraw/zinc/23/26/80/455232680.db2.gz MMORGGZKTXFTCV-HUUCEWRRSA-N 1 0 333.432 3.001 20 5 EGBDRO Cn1cc(C[NH2+]C[C@@H]2CC=CCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237928740 455234929 /nfs/dbraw/zinc/23/49/29/455234929.db2.gz AOANAJOXGBZPBX-CQSZACIVSA-N 1 0 326.400 3.441 20 5 EGBDRO Cc1ccccc1[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C(C)C ZINC000183203013 455250154 /nfs/dbraw/zinc/25/01/54/455250154.db2.gz YOYCNRYSDYAMTN-SFHVURJKSA-N 1 0 341.411 3.489 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](Cc1ccccc1)[C@H](C)CCO ZINC000180974103 455271952 /nfs/dbraw/zinc/27/19/52/455271952.db2.gz XJLPFOLHGQMLIR-OAHLLOKOSA-N 1 0 344.411 3.377 20 5 EGBDRO CCN(Cc1ccccc1)C(=O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173358948 455272691 /nfs/dbraw/zinc/27/26/91/455272691.db2.gz OFMYIUNLRIFGIW-OAHLLOKOSA-N 1 0 341.411 3.294 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158961602 455341100 /nfs/dbraw/zinc/34/11/00/455341100.db2.gz XRPMQAXQOVAWDM-CRAIPNDOSA-N 1 0 347.459 3.298 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000600722876 460580532 /nfs/dbraw/zinc/58/05/32/460580532.db2.gz RNYFTDPWZIDKFU-HUBLWGQQSA-N 1 0 345.365 3.423 20 5 EGBDRO COC(=O)c1cc(-c2ccc3c(c2)C[NH2+][C@@H](C)C3)cc([N+](=O)[O-])c1 ZINC000600787634 460604123 /nfs/dbraw/zinc/60/41/23/460604123.db2.gz CCPIXQROGXQVQQ-NSHDSACASA-N 1 0 326.352 3.083 20 5 EGBDRO COc1ccccc1[C@H](CNc1ncccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000015128607 453558480 /nfs/dbraw/zinc/55/84/80/453558480.db2.gz FMXMZNBIUSXIKQ-INIZCTEOSA-N 1 0 342.399 3.247 20 5 EGBDRO O=[N+]([O-])c1ccc(NC[C@@H](c2ccco2)[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000015171806 453560913 /nfs/dbraw/zinc/56/09/13/453560913.db2.gz DQBLNEQWTYHSOF-HNNXBMFYSA-N 1 0 346.343 3.345 20 5 EGBDRO CCN1C[C@H](C[N@H+](C)Cc2cccc([N+](=O)[O-])c2)Oc2ccccc21 ZINC000016423451 453606380 /nfs/dbraw/zinc/60/63/80/453606380.db2.gz HFSOWMBGKULXDE-KRWDZBQOSA-N 1 0 341.411 3.314 20 5 EGBDRO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CCCCC1 ZINC000016445627 453607616 /nfs/dbraw/zinc/60/76/16/453607616.db2.gz PHPGDOIHKJLZES-UHFFFAOYSA-N 1 0 325.796 3.451 20 5 EGBDRO Cc1c(NC(=O)CC[N@@H+]2CCc3sccc3C2)cccc1[N+](=O)[O-] ZINC000026343787 453796960 /nfs/dbraw/zinc/79/69/60/453796960.db2.gz YTIAORWUGDOTIX-UHFFFAOYSA-N 1 0 345.424 3.352 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@@H](C)C(C)(C)C ZINC000027136787 453811254 /nfs/dbraw/zinc/81/12/54/453811254.db2.gz GEWJQZRHZWJIPW-LBPRGKRZSA-N 1 0 337.420 3.298 20 5 EGBDRO O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000029177297 453827063 /nfs/dbraw/zinc/82/70/63/453827063.db2.gz FNTKIJJBXOGMMK-SFHVURJKSA-N 1 0 339.395 3.162 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)CC1CCCCC1 ZINC000029523774 453829561 /nfs/dbraw/zinc/82/95/61/453829561.db2.gz KMCJWDCUWXLPHU-UHFFFAOYSA-N 1 0 349.431 3.444 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](CC(C)C)C(C)C ZINC000029724434 453830817 /nfs/dbraw/zinc/83/08/17/453830817.db2.gz MVWBIYXRIKEBQN-UHFFFAOYSA-N 1 0 337.420 3.298 20 5 EGBDRO CC(C)[C@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(C)CC1 ZINC000031093094 453837953 /nfs/dbraw/zinc/83/79/53/453837953.db2.gz RPDCVOVPTLOTPF-KRWDZBQOSA-N 1 0 348.447 3.473 20 5 EGBDRO CCOc1ccc(NC(=O)C[N@H+](CC)C2CCCC2)c([N+](=O)[O-])c1 ZINC000052908429 453849099 /nfs/dbraw/zinc/84/90/99/453849099.db2.gz NDEBIIAFGBOQON-UHFFFAOYSA-N 1 0 335.404 3.197 20 5 EGBDRO C[C@H](C1CC1)[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000031653771 453851069 /nfs/dbraw/zinc/85/10/69/453851069.db2.gz UXSCYUKFKKVRBD-SNVBAGLBSA-N 1 0 337.807 3.450 20 5 EGBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)CCc1ccccc1 ZINC000053047717 453854138 /nfs/dbraw/zinc/85/41/38/453854138.db2.gz WQDZURDCQPLEBT-AWEZNQCLSA-N 1 0 327.384 3.096 20 5 EGBDRO Cc1cc(NC2CC[NH+](Cc3ccccc3)CC2)ncc1[N+](=O)[O-] ZINC000081275214 453854934 /nfs/dbraw/zinc/85/49/34/453854934.db2.gz ALYRLKARJYYVBL-UHFFFAOYSA-N 1 0 326.400 3.375 20 5 EGBDRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000053417314 453877888 /nfs/dbraw/zinc/87/78/88/453877888.db2.gz TZYYMFBVKFZIMA-GJZGRUSLSA-N 1 0 333.432 3.083 20 5 EGBDRO C[C@@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1C ZINC000032731411 453886695 /nfs/dbraw/zinc/88/66/95/453886695.db2.gz COIUYMZYKBZORH-RYUDHWBXSA-N 1 0 339.823 3.241 20 5 EGBDRO C[C@@H](CNC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)[NH+](C)C ZINC000033094016 453904819 /nfs/dbraw/zinc/90/48/19/453904819.db2.gz KNRMHOAUNRLACQ-ZDUSSCGKSA-N 1 0 342.399 3.018 20 5 EGBDRO Cc1ccc(C(=O)N2C[C@H]([NH+](C)C)Cc3ccccc32)cc1[N+](=O)[O-] ZINC000067203686 453911330 /nfs/dbraw/zinc/91/13/30/453911330.db2.gz DTCUYQABCGSXEM-MRXNPFEDSA-N 1 0 339.395 3.036 20 5 EGBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000054226552 453917485 /nfs/dbraw/zinc/91/74/85/453917485.db2.gz BTPOSXAGZKPHKR-PBHICJAKSA-N 1 0 339.395 3.160 20 5 EGBDRO COc1ccc(C[N@@H+]2CCCN(c3ccc([N+](=O)[O-])s3)CC2)cc1 ZINC000054389681 453927364 /nfs/dbraw/zinc/92/73/64/453927364.db2.gz WXJAGXMWULEZRP-UHFFFAOYSA-N 1 0 347.440 3.377 20 5 EGBDRO CC(C)(C)c1ccc(C(=O)NCCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000054460545 453931335 /nfs/dbraw/zinc/93/13/35/453931335.db2.gz BSLLUQRERBZICX-UHFFFAOYSA-N 1 0 333.432 3.108 20 5 EGBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@H](CCO)c1ccccc1 ZINC000075899701 453937331 /nfs/dbraw/zinc/93/73/31/453937331.db2.gz UADJQKNYLZYURF-MRXNPFEDSA-N 1 0 330.384 3.029 20 5 EGBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@H]2c2ccccc2)c1 ZINC000054993496 453955514 /nfs/dbraw/zinc/95/55/14/453955514.db2.gz RGLZSROSVYYYIG-HKUYNNGSSA-N 1 0 342.395 3.172 20 5 EGBDRO CC(C)[C@H](CNC(=O)c1ccccc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000041402405 453965244 /nfs/dbraw/zinc/96/52/44/453965244.db2.gz QWFMRROYFFZDPF-KRWDZBQOSA-N 1 0 333.432 3.081 20 5 EGBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](CC(C)C)[NH+](C)C)c1 ZINC000042586116 454014396 /nfs/dbraw/zinc/01/43/96/454014396.db2.gz NAHWWVRJFWTHGY-GFCCVEGCSA-N 1 0 339.461 3.023 20 5 EGBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000056196937 454043660 /nfs/dbraw/zinc/04/36/60/454043660.db2.gz GEGZNZVIOROEMG-NEPJUHHUSA-N 1 0 331.347 3.412 20 5 EGBDRO Cc1ccc(NC(=O)NCC(C)(C)[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000043148443 454045494 /nfs/dbraw/zinc/04/54/94/454045494.db2.gz IOZVSZSKQFUXHX-UHFFFAOYSA-N 1 0 334.420 3.289 20 5 EGBDRO C[NH+](C)Cc1ccc(CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)cc1 ZINC000076989187 454057271 /nfs/dbraw/zinc/05/72/71/454057271.db2.gz ACGQMTSAEYPADH-UHFFFAOYSA-N 1 0 347.802 3.240 20 5 EGBDRO Cc1c(NC(=O)NC2CC[NH+](CC(C)C)CC2)cccc1[N+](=O)[O-] ZINC000043346659 454057662 /nfs/dbraw/zinc/05/76/62/454057662.db2.gz GDXMVIGIZYYXNM-UHFFFAOYSA-N 1 0 334.420 3.145 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H](C)CC1 ZINC000068838172 454058746 /nfs/dbraw/zinc/05/87/46/454058746.db2.gz UQUMBDJSDQLXCI-CYBMUJFWSA-N 1 0 335.404 3.054 20 5 EGBDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000087170126 454067677 /nfs/dbraw/zinc/06/76/77/454067677.db2.gz QRARQAWEQWYTTB-OAHLLOKOSA-N 1 0 347.459 3.154 20 5 EGBDRO COc1ccc(CN2CCC[C@@H]2C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000069033098 454073269 /nfs/dbraw/zinc/07/32/69/454073269.db2.gz KYXXIGCUUOJLLU-MRXNPFEDSA-N 1 0 333.432 3.054 20 5 EGBDRO Cc1c(NC(=O)N(CC[NH+](C)C)Cc2ccco2)cccc1[N+](=O)[O-] ZINC000088336380 454099425 /nfs/dbraw/zinc/09/94/25/454099425.db2.gz CUXSZJGMVSBHEK-UHFFFAOYSA-N 1 0 346.387 3.092 20 5 EGBDRO C[C@@H](NC(=O)NCCC[NH2+]C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000057466726 454130830 /nfs/dbraw/zinc/13/08/30/454130830.db2.gz SWJLLCMRSBQCMH-CQSZACIVSA-N 1 0 348.447 3.267 20 5 EGBDRO Cc1cn2c(C[NH2+]CCc3ccc([N+](=O)[O-])cc3)c(C)nc2s1 ZINC000058092857 454163678 /nfs/dbraw/zinc/16/36/78/454163678.db2.gz NUJOQOHEDLDVGU-UHFFFAOYSA-N 1 0 330.413 3.253 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1CCCCC1(C)C ZINC000119827301 454224890 /nfs/dbraw/zinc/22/48/90/454224890.db2.gz KDFAJHGNDFKHNP-OAHLLOKOSA-N 1 0 335.404 3.100 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@H+](C[C@@H]3CCOC3)C3CC3)co2)cc1 ZINC000089885886 454225596 /nfs/dbraw/zinc/22/55/96/454225596.db2.gz HNTGEMRZVWTIDN-ZDUSSCGKSA-N 1 0 343.383 3.251 20 5 EGBDRO CN(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C[C@H]1CCC[N@H+](C)C1 ZINC000089903804 454231264 /nfs/dbraw/zinc/23/12/64/454231264.db2.gz QDLSZQCRGUJTGI-AWEZNQCLSA-N 1 0 344.415 3.023 20 5 EGBDRO CC[NH+](CC)CCN(CC(C)C)C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000071894749 454247379 /nfs/dbraw/zinc/24/73/79/454247379.db2.gz QAHMHHLPXVSDRP-UHFFFAOYSA-N 1 0 335.448 3.343 20 5 EGBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000078689297 454300198 /nfs/dbraw/zinc/30/01/98/454300198.db2.gz YMOCXVRVPGHCSV-INIZCTEOSA-N 1 0 340.427 3.399 20 5 EGBDRO CCn1c(SCC[NH+](C)C)nc2cc3ccccc3cc2c1=O ZINC000060721417 454312346 /nfs/dbraw/zinc/31/23/46/454312346.db2.gz VMMCQTFNPNJZEH-UHFFFAOYSA-N 1 0 327.453 3.223 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)c1ccccc1C ZINC000120511826 454312682 /nfs/dbraw/zinc/31/26/82/454312682.db2.gz UHGPSGQPXUVNSI-CYBMUJFWSA-N 1 0 343.383 3.201 20 5 EGBDRO Cc1c(C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000046991242 454313177 /nfs/dbraw/zinc/31/31/77/454313177.db2.gz ZICGAJBLMFVSGC-CQSZACIVSA-N 1 0 333.432 3.145 20 5 EGBDRO O=C(Nc1ccccc1)[C@@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000073049680 454387249 /nfs/dbraw/zinc/38/72/49/454387249.db2.gz ZEFABPYMTMPULG-MRXNPFEDSA-N 1 0 339.395 3.446 20 5 EGBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H](c2ccc(F)cc2)C2CCCC2)c1 ZINC000091399917 454432509 /nfs/dbraw/zinc/43/25/09/454432509.db2.gz YTOCQLNQQIFMFU-QGZVFWFLSA-N 1 0 332.379 3.452 20 5 EGBDRO CCOc1ccc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000122283293 454517829 /nfs/dbraw/zinc/51/78/29/454517829.db2.gz QOQRBAMSGQXZGC-OAHLLOKOSA-N 1 0 342.399 3.075 20 5 EGBDRO CC[NH+](CC)CCN(CC(C)C)C(=O)c1cccc([N+](=O)[O-])c1C ZINC000048964295 454526001 /nfs/dbraw/zinc/52/60/01/454526001.db2.gz VEWBODGMMLPCIT-UHFFFAOYSA-N 1 0 335.448 3.343 20 5 EGBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000080137489 454538957 /nfs/dbraw/zinc/53/89/57/454538957.db2.gz KICTWIYQNCLZKU-MRXNPFEDSA-N 1 0 348.447 3.004 20 5 EGBDRO CCOc1ccc(NC(=O)C[N@H+](C2CC2)C2CCCC2)c([N+](=O)[O-])c1 ZINC000103466522 454558030 /nfs/dbraw/zinc/55/80/30/454558030.db2.gz HBXLOLZYDXSXLY-UHFFFAOYSA-N 1 0 347.415 3.339 20 5 EGBDRO CS[C@H]1CCCC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000134606802 454568309 /nfs/dbraw/zinc/56/83/09/454568309.db2.gz IWXBBIJKKRVKTI-AWEZNQCLSA-N 1 0 348.428 3.362 20 5 EGBDRO C[C@@H]1C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC(C)(C)O1 ZINC000104677211 454595774 /nfs/dbraw/zinc/59/57/74/454595774.db2.gz UPQQAYFCZGIFRV-CYBMUJFWSA-N 1 0 345.399 3.292 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CCC(OC[C@H]2CCCO2)CC1 ZINC000092661438 454604061 /nfs/dbraw/zinc/60/40/61/454604061.db2.gz UHXXEDAVEBEWMC-HNSSHINMSA-N 1 0 346.427 3.268 20 5 EGBDRO C[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C(C1CC1)C1CC1 ZINC000050988809 454604068 /nfs/dbraw/zinc/60/40/68/454604068.db2.gz PJYOOOOLWYSLLH-UHFFFAOYSA-N 1 0 328.372 3.265 20 5 EGBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2c2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000092685961 454610807 /nfs/dbraw/zinc/61/08/07/454610807.db2.gz RBEVBOIMKHUJIB-DGCLKSJQSA-N 1 0 341.358 3.117 20 5 EGBDRO COc1ccc(C[N@H+](C)CCOc2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000051455028 454626528 /nfs/dbraw/zinc/62/65/28/454626528.db2.gz NVBPXGPFNLWPBG-UHFFFAOYSA-N 1 0 346.383 3.123 20 5 EGBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)C1 ZINC000074772728 454632698 /nfs/dbraw/zinc/63/26/98/454632698.db2.gz FCVFYPHTEAWGBG-HNNXBMFYSA-N 1 0 340.427 3.311 20 5 EGBDRO O=[N+]([O-])c1c2cccnc2ccc1N1CC[NH+](C2CCCC2)CC1 ZINC000051822842 454638939 /nfs/dbraw/zinc/63/89/39/454638939.db2.gz LHZCBOOLYFJMDD-UHFFFAOYSA-N 1 0 326.400 3.208 20 5 EGBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+](C)CCC1CC1 ZINC000135287262 454659023 /nfs/dbraw/zinc/65/90/23/454659023.db2.gz FMJVXGQASHOYBA-JTQLQIEISA-N 1 0 325.796 3.307 20 5 EGBDRO C[C@@H]1CCCC[N@@H+]1CCCCNc1nc2sccn2c1[N+](=O)[O-] ZINC000052247449 454664776 /nfs/dbraw/zinc/66/47/76/454664776.db2.gz GEPVMEJBBQYWAP-GFCCVEGCSA-N 1 0 337.449 3.371 20 5 EGBDRO C[C@@H]([NH2+]C[C@@H]1CCN(CC(F)(F)F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000124311801 454717109 /nfs/dbraw/zinc/71/71/09/454717109.db2.gz WDEVKFZMGFCKBL-NEPJUHHUSA-N 1 0 331.338 3.130 20 5 EGBDRO CC(C)(C)c1ccc(C(=O)NCC[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000152824201 454729935 /nfs/dbraw/zinc/72/99/35/454729935.db2.gz UIGJTYOAFBEANG-ZDUSSCGKSA-N 1 0 333.432 3.012 20 5 EGBDRO Cc1cccc(OC[C@@H](O)C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000152886741 454737153 /nfs/dbraw/zinc/73/71/53/454737153.db2.gz IZBSVEHQQMMNSA-RDJZCZTQSA-N 1 0 344.411 3.302 20 5 EGBDRO C[C@@H](O)[C@@H]1CCC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000136844931 454758689 /nfs/dbraw/zinc/75/86/89/454758689.db2.gz IZVBJMLNHMWISC-UKRRQHHQSA-N 1 0 330.384 3.448 20 5 EGBDRO CCn1c(C)cc(C(=O)CN2CCc3c(cccc3[N+](=O)[O-])C2)c1C ZINC000153190154 454768508 /nfs/dbraw/zinc/76/85/08/454768508.db2.gz KDMUJCXPYWECIK-UHFFFAOYSA-N 1 0 341.411 3.274 20 5 EGBDRO Cc1c(CC(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000162502033 454779084 /nfs/dbraw/zinc/77/90/84/454779084.db2.gz VHWPSGLUCKGWFF-AUUYWEPGSA-N 1 0 347.459 3.072 20 5 EGBDRO CCN(Cc1ccoc1)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000153547377 454805199 /nfs/dbraw/zinc/80/51/99/454805199.db2.gz XYLQJCZLXCIADI-CYBMUJFWSA-N 1 0 331.372 3.345 20 5 EGBDRO CC[N@H+](C)Cc1cccc(CNC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000139563688 454808158 /nfs/dbraw/zinc/80/81/58/454808158.db2.gz OZSSHJSHSGKAJS-UHFFFAOYSA-N 1 0 342.399 3.368 20 5 EGBDRO Cc1cc(C(=O)Nc2cc(C[NH+](C)C)ccc2C)c(N)c([N+](=O)[O-])c1 ZINC000177067151 454818756 /nfs/dbraw/zinc/81/87/56/454818756.db2.gz LORAGPWTEBTQAZ-UHFFFAOYSA-N 1 0 342.399 3.108 20 5 EGBDRO CNC(=O)c1ccc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1 ZINC000109004166 454819256 /nfs/dbraw/zinc/81/92/56/454819256.db2.gz FTTHSSNRGYYXHG-UHFFFAOYSA-N 1 0 341.411 3.365 20 5 EGBDRO CC[C@H]([NH2+]CCNC(=O)CC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000153674868 454819406 /nfs/dbraw/zinc/81/94/06/454819406.db2.gz ZTWUMGKSPSBGOP-KRWDZBQOSA-N 1 0 333.432 3.332 20 5 EGBDRO CCOc1ccc([C@@H](C)N[C@H]2CC[N@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000153694860 454821945 /nfs/dbraw/zinc/82/19/45/454821945.db2.gz DRBFSAHVESXNRR-CJNGLKHVSA-N 1 0 333.432 3.128 20 5 EGBDRO O=[N+]([O-])c1cccnc1NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000142815801 454838887 /nfs/dbraw/zinc/83/88/87/454838887.db2.gz RRZIQKGRIHOQAB-ZDUSSCGKSA-N 1 0 332.429 3.375 20 5 EGBDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000177338883 454853367 /nfs/dbraw/zinc/85/33/67/454853367.db2.gz OKZLUGNDFQULOI-UHFFFAOYSA-N 1 0 342.399 3.015 20 5 EGBDRO C[C@H]([NH2+][C@@H]1CCN(C(=O)C2CCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000125957893 454859756 /nfs/dbraw/zinc/85/97/56/454859756.db2.gz ZGYGOLSIALWHPH-XJKSGUPXSA-N 1 0 331.416 3.037 20 5 EGBDRO Cc1cc(C(=O)NC2CC[NH+](C3CCCC3)CC2)cc([N+](=O)[O-])c1 ZINC000177442603 454864239 /nfs/dbraw/zinc/86/42/39/454864239.db2.gz PSUJURYPVFSBEB-UHFFFAOYSA-N 1 0 331.416 3.040 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000191371660 455481308 /nfs/dbraw/zinc/48/13/08/455481308.db2.gz SVXBQQZKDDNZGB-ZDUSSCGKSA-N 1 0 336.436 3.309 20 5 EGBDRO CCC(CC)[N@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C1CC1 ZINC000165332762 454899107 /nfs/dbraw/zinc/89/91/07/454899107.db2.gz YEPDGTDHIDRGEU-UHFFFAOYSA-N 1 0 335.404 3.195 20 5 EGBDRO CO[C@@H]1CCC[C@H]1[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000113329971 454922992 /nfs/dbraw/zinc/92/29/92/454922992.db2.gz ZTFQSWKEOHCYRX-HUUCEWRRSA-N 1 0 333.413 3.375 20 5 EGBDRO C[C@H]([NH2+][C@H]1CCN(C(=O)C2CCCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000151062089 454932333 /nfs/dbraw/zinc/93/23/33/454932333.db2.gz DMBWARSISKHDJT-YOEHRIQHSA-N 1 0 345.443 3.427 20 5 EGBDRO CC(C)OCC[NH+]1CCC(N[C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000267103408 455502209 /nfs/dbraw/zinc/50/22/09/455502209.db2.gz ZXXZMYVSIDVEFF-OAHLLOKOSA-N 1 0 335.448 3.135 20 5 EGBDRO CCC[N@@H+]1CC[C@@H](CNC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000127916060 455009334 /nfs/dbraw/zinc/00/93/34/455009334.db2.gz MVYOIUJPSZTTNY-AWEZNQCLSA-N 1 0 334.420 3.065 20 5 EGBDRO Cc1cc([N+](=O)[O-])cnc1NC1CC[NH+](CCc2ccccc2)CC1 ZINC000170981897 455010354 /nfs/dbraw/zinc/01/03/54/455010354.db2.gz NVVGLOQPSRSJJG-UHFFFAOYSA-N 1 0 340.427 3.417 20 5 EGBDRO CC[C@H]1CCC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1 ZINC000117342801 455083677 /nfs/dbraw/zinc/08/36/77/455083677.db2.gz MFUHUZDULZGPNE-AWEZNQCLSA-N 1 0 347.415 3.405 20 5 EGBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000117337518 455083919 /nfs/dbraw/zinc/08/39/19/455083919.db2.gz RRETZQOXVYVEOG-ZFWWWQNUSA-N 1 0 345.399 3.157 20 5 EGBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H](O)c2ccccc2)cc1[N+](=O)[O-] ZINC000152567304 455137892 /nfs/dbraw/zinc/13/78/92/455137892.db2.gz DVTHOMVMNFZWPR-CXAGYDPISA-N 1 0 330.384 3.378 20 5 EGBDRO C[C@@]1(O)CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000180183527 455145820 /nfs/dbraw/zinc/14/58/20/455145820.db2.gz PNKLNSCUIMSCAQ-MRXNPFEDSA-N 1 0 336.775 3.465 20 5 EGBDRO CC[C@H]1CC[N@H+](Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C1 ZINC000180266507 455153401 /nfs/dbraw/zinc/15/34/01/455153401.db2.gz OEPSYGJGCZCTHY-NSHDSACASA-N 1 0 344.358 3.479 20 5 EGBDRO C[C@H]([NH2+]CCCOc1ccc2c(c1)OCO2)c1cccc([N+](=O)[O-])c1 ZINC000180416307 455165797 /nfs/dbraw/zinc/16/57/97/455165797.db2.gz CEYGJXCGNITTNT-ZDUSSCGKSA-N 1 0 344.367 3.443 20 5 EGBDRO Cc1ccc(OC[C@H](O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000180451818 455173013 /nfs/dbraw/zinc/17/30/13/455173013.db2.gz CSUNZHMZYPLCKZ-CRAIPNDOSA-N 1 0 344.411 3.302 20 5 EGBDRO Cn1cc(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)cn1 ZINC000237670878 455205294 /nfs/dbraw/zinc/20/52/94/455205294.db2.gz XRASPFQAHAVUBB-UHFFFAOYSA-N 1 0 328.397 3.347 20 5 EGBDRO CC(C)c1ccc(C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000189491589 455206417 /nfs/dbraw/zinc/20/64/17/455206417.db2.gz IOUCLENNYLGPEG-MRXNPFEDSA-N 1 0 345.443 3.419 20 5 EGBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](CO)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000158237122 455282471 /nfs/dbraw/zinc/28/24/71/455282471.db2.gz BWJMKZMEWPUIJR-RHSMWYFYSA-N 1 0 344.411 3.248 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1[C@H](C)C[C@@H]2CCCC[C@@H]21 ZINC000245443488 455301965 /nfs/dbraw/zinc/30/19/65/455301965.db2.gz IUBHXQGBCHRQGO-KEYYUXOJSA-N 1 0 331.416 3.495 20 5 EGBDRO Cc1ccnc(N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c1[N+](=O)[O-] ZINC000265152459 455302082 /nfs/dbraw/zinc/30/20/82/455302082.db2.gz BSDFXJCWZMSZLI-MRXNPFEDSA-N 1 0 332.448 3.247 20 5 EGBDRO C[C@H](CO[C@@H]1CCOC1)[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000245520785 455320649 /nfs/dbraw/zinc/32/06/49/455320649.db2.gz BXSLTZGICOQMJQ-AHCXZYCDSA-N 1 0 348.443 3.090 20 5 EGBDRO C[C@H](C[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1nccs1 ZINC000183932827 455340345 /nfs/dbraw/zinc/34/03/45/455340345.db2.gz XTESCRUOVKROSA-GFCCVEGCSA-N 1 0 348.428 3.115 20 5 EGBDRO CC[NH+]1CCN(c2cccc(NCc3csc([N+](=O)[O-])c3)c2)CC1 ZINC000190968558 455416820 /nfs/dbraw/zinc/41/68/20/455416820.db2.gz IMAYVWZWZSYTJA-UHFFFAOYSA-N 1 0 346.456 3.410 20 5 EGBDRO COc1ccc(OCC[NH2+][C@@H](C)c2ncc(C)s2)c([N+](=O)[O-])c1 ZINC000184993142 455482694 /nfs/dbraw/zinc/48/26/94/455482694.db2.gz ALFRXKZUBVFDKJ-NSHDSACASA-N 1 0 337.401 3.098 20 5 EGBDRO Cc1cnc([C@@H](C)[NH2+]CCC(=O)Nc2cccc([N+](=O)[O-])c2C)s1 ZINC000184987662 455483105 /nfs/dbraw/zinc/48/31/05/455483105.db2.gz NZSWEOFVFXVQIC-GFCCVEGCSA-N 1 0 348.428 3.348 20 5 EGBDRO Cc1c(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cccc1[N+](=O)[O-] ZINC000247017194 455544558 /nfs/dbraw/zinc/54/45/58/455544558.db2.gz XTWNZOFQXXOLLZ-LPHOPBHVSA-N 1 0 329.444 3.352 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CCCCCCO)cs2)c1 ZINC000182692235 455569463 /nfs/dbraw/zinc/56/94/63/455569463.db2.gz BYTQVRZRTNKNCR-UHFFFAOYSA-N 1 0 335.429 3.361 20 5 EGBDRO CC[C@H]1Cc2ccccc2C[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000185803003 455625261 /nfs/dbraw/zinc/62/52/61/455625261.db2.gz CPOBHXUZBANOHO-KRWDZBQOSA-N 1 0 339.395 3.031 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H](O)c1ccc(F)cc1)CCC2 ZINC000192637315 455658927 /nfs/dbraw/zinc/65/89/27/455658927.db2.gz BBMOUNRPOLVFEP-QZTJIDSGSA-N 1 0 330.359 3.435 20 5 EGBDRO C[C@H](NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000271553240 455682308 /nfs/dbraw/zinc/68/23/08/455682308.db2.gz VITCAPWANQBMSX-GDIGMMSISA-N 1 0 347.459 3.013 20 5 EGBDRO COc1cccc([C@@H](O)C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000192852891 455707555 /nfs/dbraw/zinc/70/75/55/455707555.db2.gz VQUYXKDBZIDICN-OALUTQOASA-N 1 0 342.395 3.304 20 5 EGBDRO CC[C@H]([NH2+]CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1ccccc1 ZINC000271639807 455708044 /nfs/dbraw/zinc/70/80/44/455708044.db2.gz HDVVHWCMGRZAMS-HNNXBMFYSA-N 1 0 343.383 3.283 20 5 EGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@](C)(O)c1ccsc1 ZINC000269005398 455760382 /nfs/dbraw/zinc/76/03/82/455760382.db2.gz QLPCQIFZLKTPMP-DYVFJYSZSA-N 1 0 334.441 3.475 20 5 EGBDRO CC(C)[NH+]1CCN(CCCSc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000193514003 455762360 /nfs/dbraw/zinc/76/23/60/455762360.db2.gz UCENNTGHVLYHNL-UHFFFAOYSA-N 1 0 341.452 3.242 20 5 EGBDRO O=[N+]([O-])c1ccc(OCCC[NH2+][C@@H](CCO)c2ccccc2)cc1 ZINC000271847665 455784843 /nfs/dbraw/zinc/78/48/43/455784843.db2.gz ZHLJNSKNHQRZMZ-SFHVURJKSA-N 1 0 330.384 3.077 20 5 EGBDRO C[C@H]([NH2+]CC[C@@](C)(O)c1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285325856 455824068 /nfs/dbraw/zinc/82/40/68/455824068.db2.gz UABMCNFQOHHBDT-SCLBCKFNSA-N 1 0 329.400 3.125 20 5 EGBDRO CC(C)[C@H](O)C1(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000272106015 455848394 /nfs/dbraw/zinc/84/83/94/455848394.db2.gz WRPRSUPALRBKRN-AWEZNQCLSA-N 1 0 344.358 3.083 20 5 EGBDRO C[NH+]1CCC([C@H]2CCN(c3c(F)cc([N+](=O)[O-])cc3F)C2)CC1 ZINC000270165651 455892674 /nfs/dbraw/zinc/89/26/74/455892674.db2.gz KJMDIYDBPOKYAO-LBPRGKRZSA-N 1 0 325.359 3.041 20 5 EGBDRO COc1cc(NC[C@H]2[NH2+]CCc3ccccc32)c(F)cc1[N+](=O)[O-] ZINC000261606326 455911369 /nfs/dbraw/zinc/91/13/69/455911369.db2.gz CUHCECJWHHYKHM-OAHLLOKOSA-N 1 0 331.347 3.041 20 5 EGBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C1CC[NH+](C2CC2)CC1 ZINC000195377258 455953063 /nfs/dbraw/zinc/95/30/63/455953063.db2.gz XEEOAEFKWDYYKP-UHFFFAOYSA-N 1 0 345.443 3.206 20 5 EGBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H]2CC=C(c3ccc(F)cc3)CC2)c1 ZINC000272469965 455960856 /nfs/dbraw/zinc/96/08/56/455960856.db2.gz IBOJWYVIGHWHCR-MRXNPFEDSA-N 1 0 330.363 3.156 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ncc(C3CC[NH2+]CC3)s2)c1 ZINC000262034859 455988899 /nfs/dbraw/zinc/98/88/99/455988899.db2.gz KIVRYSHQDHJLHQ-UHFFFAOYSA-N 1 0 346.412 3.079 20 5 EGBDRO Cc1ccccc1N1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000195664041 455993602 /nfs/dbraw/zinc/99/36/02/455993602.db2.gz YICICFWZXLOLFW-UHFFFAOYSA-N 1 0 325.412 3.268 20 5 EGBDRO CCc1ccc([C@@H]2C[NH2+]CCN2C(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000262256457 456017489 /nfs/dbraw/zinc/01/74/89/456017489.db2.gz QSKVIPCRRBHMME-HNNXBMFYSA-N 1 0 345.424 3.005 20 5 EGBDRO COC[C@H](C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)OC ZINC000272684734 456038515 /nfs/dbraw/zinc/03/85/15/456038515.db2.gz NYDYRAQBJXBPME-AWEZNQCLSA-N 1 0 336.413 3.074 20 5 EGBDRO CSCCC[N@H+](C)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000281232349 456172784 /nfs/dbraw/zinc/17/27/84/456172784.db2.gz CIIMRPLFRDFFDE-SNVBAGLBSA-N 1 0 345.852 3.260 20 5 EGBDRO COc1ccc(C[N@H+](C)C[C@@H]2OCCc3ccccc32)cc1[N+](=O)[O-] ZINC000263656835 456184015 /nfs/dbraw/zinc/18/40/15/456184015.db2.gz CUGQRXLNVVYYQP-IBGZPJMESA-N 1 0 342.395 3.349 20 5 EGBDRO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@@H]1CCOC(C)(C)C1 ZINC000289989954 456207352 /nfs/dbraw/zinc/20/73/52/456207352.db2.gz YHZBIDCPNYZTNG-OAHLLOKOSA-N 1 0 349.431 3.121 20 5 EGBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000263764051 456215827 /nfs/dbraw/zinc/21/58/27/456215827.db2.gz DDGNCLDHWQPDJR-OAHLLOKOSA-N 1 0 343.383 3.041 20 5 EGBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2c2nccc3cc([N+](=O)[O-])ccc32)C1 ZINC000297548324 456248154 /nfs/dbraw/zinc/24/81/54/456248154.db2.gz QOSUKCNNKHUPPQ-WMLDXEAASA-N 1 0 326.400 3.064 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCC[C@H]([NH+]3CCCC3)C2)c(OC(F)F)c1 ZINC000302049199 456275455 /nfs/dbraw/zinc/27/54/55/456275455.db2.gz MTYIZZUVJBWLLV-ZDUSSCGKSA-N 1 0 341.358 3.261 20 5 EGBDRO C[C@@H](Nc1nc2sccn2c1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000302050096 456275592 /nfs/dbraw/zinc/27/55/92/456275592.db2.gz NKLYDPGWXQTNEQ-VXGBXAGGSA-N 1 0 349.460 3.369 20 5 EGBDRO C[NH+](C)[C@@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2OC(F)F)C1 ZINC000302166118 456305359 /nfs/dbraw/zinc/30/53/59/456305359.db2.gz RLWZACGTDLCHDG-WDEREUQCSA-N 1 0 329.347 3.481 20 5 EGBDRO CC[C@H]1CN(c2ccc([N+](=O)[O-])cn2)CC[N@@H+]1Cc1ccccc1 ZINC000302180842 456308120 /nfs/dbraw/zinc/30/81/20/456308120.db2.gz ZLKDXQDKNLDOIY-INIZCTEOSA-N 1 0 326.400 3.091 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)n1 ZINC000336703966 456309002 /nfs/dbraw/zinc/30/90/02/456309002.db2.gz LSAIKVXXTQFRIF-GDBMZVCRSA-N 1 0 326.400 3.373 20 5 EGBDRO O=[N+]([O-])c1cc(CNC2CC[NH+](C3CC3)CC2)cc(C(F)(F)F)c1 ZINC000298063920 456356688 /nfs/dbraw/zinc/35/66/88/456356688.db2.gz KISHTFQWFCJXDC-UHFFFAOYSA-N 1 0 343.349 3.330 20 5 EGBDRO CC(C)c1ccc(C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)cc1[N+](=O)[O-] ZINC000276125925 456394127 /nfs/dbraw/zinc/39/41/27/456394127.db2.gz NTFMJUPHARPVCR-CYBMUJFWSA-N 1 0 331.416 3.098 20 5 EGBDRO COc1cc(C[NH2+]Cc2ccc(CSC)cc2)c([N+](=O)[O-])cc1O ZINC000353095093 456485605 /nfs/dbraw/zinc/48/56/05/456485605.db2.gz WSMLOYWYLSDCHD-UHFFFAOYSA-N 1 0 348.424 3.462 20 5 EGBDRO CCC(=O)N1CC[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000290799987 456433624 /nfs/dbraw/zinc/43/36/24/456433624.db2.gz FCHRSVLIJHDXRF-NSHDSACASA-N 1 0 346.214 3.002 20 5 EGBDRO CCC(CC)C[N@H+](CC)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000303666462 456477008 /nfs/dbraw/zinc/47/70/08/456477008.db2.gz XROIHVBUCONRMP-UHFFFAOYSA-N 1 0 333.432 3.242 20 5 EGBDRO CC[C@](C)([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1nccs1 ZINC000298583646 456495311 /nfs/dbraw/zinc/49/53/11/456495311.db2.gz JUHDDVGLSOXLQE-INIZCTEOSA-N 1 0 348.428 3.295 20 5 EGBDRO C[C@@H]([NH2+]Cc1ccccc1Cn1cncn1)c1cccc([N+](=O)[O-])c1 ZINC000337807528 456559756 /nfs/dbraw/zinc/55/97/56/456559756.db2.gz IPYHDDAQMYSYGW-CQSZACIVSA-N 1 0 337.383 3.085 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)c(Cl)c1 ZINC000348310911 456613160 /nfs/dbraw/zinc/61/31/60/456613160.db2.gz SZWWVVVEZJGDOH-BXKDBHETSA-N 1 0 338.713 3.448 20 5 EGBDRO C[C@@H](CNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000291583980 456686272 /nfs/dbraw/zinc/68/62/72/456686272.db2.gz VEKVCCRKDIKFDG-QMMMGPOBSA-N 1 0 346.214 3.114 20 5 EGBDRO CCC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)CC(C)(C)O ZINC000353416555 456687252 /nfs/dbraw/zinc/68/72/52/456687252.db2.gz OAOZEGSQGQXULE-UHFFFAOYSA-N 1 0 332.347 3.179 20 5 EGBDRO C[N@H+](Cc1ccccc1)C1CN(c2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000343617226 456747546 /nfs/dbraw/zinc/74/75/46/456747546.db2.gz VIZXOAVFYNXKNB-UHFFFAOYSA-N 1 0 348.406 3.464 20 5 EGBDRO C[C@H](c1cccc(O)c1)[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283363939 456765733 /nfs/dbraw/zinc/76/57/33/456765733.db2.gz RTTSGACYLXTGCQ-CYBMUJFWSA-N 1 0 343.383 3.322 20 5 EGBDRO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])c(N)c1F)c1ccc(F)cc1 ZINC000348722639 456829922 /nfs/dbraw/zinc/82/99/22/456829922.db2.gz WMVZSEQYFKZTMY-AWEZNQCLSA-N 1 0 336.342 3.170 20 5 EGBDRO COCCOc1ccccc1C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338953571 456873592 /nfs/dbraw/zinc/87/35/92/456873592.db2.gz FXFZFRLHZNFORS-UHFFFAOYSA-N 1 0 344.411 3.295 20 5 EGBDRO C[C@H]([NH2+]Cc1ccc(C[S@@](C)=O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000353809729 456916898 /nfs/dbraw/zinc/91/68/98/456916898.db2.gz BUCVFTFXAFGTMO-ZAMGYDSWSA-N 1 0 332.425 3.324 20 5 EGBDRO C[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@@H]1CCCC[C@H]1O ZINC000339100220 456940504 /nfs/dbraw/zinc/94/05/04/456940504.db2.gz WJXIPEZNFNAIOZ-ZIAGYGMSSA-N 1 0 332.322 3.349 20 5 EGBDRO C[C@H]1CC[N@H+](C)CCN1C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000354001372 456999193 /nfs/dbraw/zinc/99/91/93/456999193.db2.gz OBPFFJYLBFWNGE-ZDUSSCGKSA-N 1 0 333.432 3.059 20 5 EGBDRO C[C@H]1CC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1(C)C ZINC000354043143 457028405 /nfs/dbraw/zinc/02/84/05/457028405.db2.gz VTTKODSCIXTBRF-XJKSGUPXSA-N 1 0 331.416 3.068 20 5 EGBDRO CC(C)[NH+]1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000349797776 457054811 /nfs/dbraw/zinc/05/48/11/457054811.db2.gz CCXHWYJYSMQJIY-UHFFFAOYSA-N 1 0 329.400 3.381 20 5 EGBDRO CCC[C@H]([NH2+]C[C@H]1CN(CC(C)C)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000359517174 457091344 /nfs/dbraw/zinc/09/13/44/457091344.db2.gz MXVWVLOFACGGOP-OALUTQOASA-N 1 0 349.475 3.382 20 5 EGBDRO Cc1c([C@@H](C)[NH2+]Cc2cccc(C(=O)N(C)C)c2)cccc1[N+](=O)[O-] ZINC000359683843 457112740 /nfs/dbraw/zinc/11/27/40/457112740.db2.gz XQWILFBQEDGNIG-CQSZACIVSA-N 1 0 341.411 3.456 20 5 EGBDRO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])c2ncccc12)c1ccco1 ZINC000346696156 457116548 /nfs/dbraw/zinc/11/65/48/457116548.db2.gz MESJGLBZMFMNLW-HNNXBMFYSA-N 1 0 326.356 3.451 20 5 EGBDRO CCn1c(C)nc([N+](=O)[O-])c1N(CC[NH+]1CCCCCC1)C1CCC1 ZINC000359980677 457184405 /nfs/dbraw/zinc/18/44/05/457184405.db2.gz FPQOCYNIOCCVPL-UHFFFAOYSA-N 1 0 349.479 3.355 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](CC2CC2)C1 ZINC000339672987 457203463 /nfs/dbraw/zinc/20/34/63/457203463.db2.gz CQYXFQVWXCFMJH-CQSZACIVSA-N 1 0 347.415 3.054 20 5 EGBDRO O=[N+]([O-])c1ccccc1OCC[NH+]1CCC(Cc2cccnc2)CC1 ZINC000357010814 457274129 /nfs/dbraw/zinc/27/41/29/457274129.db2.gz MQHDENZOVRVOQM-UHFFFAOYSA-N 1 0 341.411 3.323 20 5 EGBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000347259982 457317301 /nfs/dbraw/zinc/31/73/01/457317301.db2.gz XTBFQKZOYLRCGW-JSGCOSHPSA-N 1 0 345.424 3.222 20 5 EGBDRO CC[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000363587694 457373135 /nfs/dbraw/zinc/37/31/35/457373135.db2.gz SYTZBKKUJZHECX-JKSUJKDBSA-N 1 0 328.416 3.487 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]CCN3CC=CCC3)o2)c1 ZINC000355553559 457388000 /nfs/dbraw/zinc/38/80/00/457388000.db2.gz WFIDPROJXNZQPJ-UHFFFAOYSA-N 1 0 327.384 3.206 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(CC(=O)N(C)C)CC1 ZINC000347384980 457393998 /nfs/dbraw/zinc/39/39/98/457393998.db2.gz ZYZZCNMXFKWKRC-RVDMUPIBSA-N 1 0 345.443 3.188 20 5 EGBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)Nc1ncnc2cccc([N+](=O)[O-])c21 ZINC000347428566 457422424 /nfs/dbraw/zinc/42/24/24/457422424.db2.gz KWUGSVZIJJDXOE-CHWSQXEVSA-N 1 0 329.404 3.070 20 5 EGBDRO COC(=O)c1cc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])c(C)s1 ZINC000352544546 457454850 /nfs/dbraw/zinc/45/48/50/457454850.db2.gz RPBBUJDWWHMYIM-UHFFFAOYSA-N 1 0 348.424 3.426 20 5 EGBDRO Cc1cc(NCc2cn3ccccc3n2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000360947801 457455988 /nfs/dbraw/zinc/45/59/88/457455988.db2.gz XQSBOHOTGGLOQV-UHFFFAOYSA-N 1 0 333.351 3.133 20 5 EGBDRO C[N@H+](CCC(=O)Nc1ccc(F)cc1)CCc1ccccc1[N+](=O)[O-] ZINC000352562708 457467407 /nfs/dbraw/zinc/46/74/07/457467407.db2.gz LQULMZPJTIOEMA-UHFFFAOYSA-N 1 0 345.374 3.237 20 5 EGBDRO CCn1c(C)nc([N+](=O)[O-])c1NC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000361043968 457538251 /nfs/dbraw/zinc/53/82/51/457538251.db2.gz QIZSZLWBNJHDIJ-UHFFFAOYSA-N 1 0 345.447 3.442 20 5 EGBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000361044675 457539043 /nfs/dbraw/zinc/53/90/43/457539043.db2.gz JDVZMTLNEPVXGG-JSGCOSHPSA-N 1 0 335.452 3.185 20 5 EGBDRO C[N@H+](C[C@@H](O)COc1ccc(-c2ccccc2)cc1[N+](=O)[O-])C1CC1 ZINC000357457092 457540528 /nfs/dbraw/zinc/54/05/28/457540528.db2.gz VERABISDZMPGFU-QGZVFWFLSA-N 1 0 342.395 3.096 20 5 EGBDRO Cc1ccc(CNc2cccc(C[N@@H+]3CC[C@@H](O)C3)c2)cc1[N+](=O)[O-] ZINC000361082921 457573141 /nfs/dbraw/zinc/57/31/41/457573141.db2.gz OQBUOCQJQSTFMH-GOSISDBHSA-N 1 0 341.411 3.082 20 5 EGBDRO CCC[C@H]([NH2+]CCN1CCOC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000361184066 457635184 /nfs/dbraw/zinc/63/51/84/457635184.db2.gz JWCFGBODXZGGOE-KRWDZBQOSA-N 1 0 335.448 3.136 20 5 EGBDRO Cc1cc(N2CC[C@H]([C@H]3CCOC3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000374664850 457683310 /nfs/dbraw/zinc/68/33/10/457683310.db2.gz QZYUFGVNDCSXEH-KBPBESRZSA-N 1 0 327.384 3.314 20 5 EGBDRO CCn1nccc1C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000370632128 457686309 /nfs/dbraw/zinc/68/63/09/457686309.db2.gz XDLXGLGBIWMAQX-UHFFFAOYSA-N 1 0 344.415 3.199 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CC(=O)N(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000357802718 457695630 /nfs/dbraw/zinc/69/56/30/457695630.db2.gz WCEKNUVPHREFCL-GOEBONIOSA-N 1 0 339.395 3.359 20 5 EGBDRO CC1(C)CCC[N@H+](CCNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000443968723 457831045 /nfs/dbraw/zinc/83/10/45/457831045.db2.gz XBJBQOXAFQUSPI-UHFFFAOYSA-N 1 0 346.431 3.013 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H]1C1CCC1 ZINC000411225741 457834129 /nfs/dbraw/zinc/83/41/29/457834129.db2.gz HRAYWDQLKXBRQD-INIZCTEOSA-N 1 0 347.415 3.197 20 5 EGBDRO CCCC[N@H+](C)CCNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000426469625 457836927 /nfs/dbraw/zinc/83/69/27/457836927.db2.gz NKCVFSMJVQXRLE-UHFFFAOYSA-N 1 0 348.447 3.001 20 5 EGBDRO O=C(CN1CCC[C@@H]2CCC[C@H]21)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000444189505 457865443 /nfs/dbraw/zinc/86/54/43/457865443.db2.gz VIYPILUNDIIYHU-SMDDNHRTSA-N 1 0 337.807 3.451 20 5 EGBDRO Cc1csc(C(C)(C)[NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1 ZINC000411372701 457867333 /nfs/dbraw/zinc/86/73/33/457867333.db2.gz FEVGBAOOQBZCAW-UHFFFAOYSA-N 1 0 348.428 3.213 20 5 EGBDRO COc1ccc(NC(=O)CC[N@H+](C)[C@H](C)C2CCC2)c([N+](=O)[O-])c1 ZINC000411434119 457887008 /nfs/dbraw/zinc/88/70/08/457887008.db2.gz VMVKFMROSMECNO-GFCCVEGCSA-N 1 0 335.404 3.052 20 5 EGBDRO CSc1cccc(C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)c1[N+](=O)[O-] ZINC000434426122 457993679 /nfs/dbraw/zinc/99/36/79/457993679.db2.gz SCFJJBPDWRTLQE-ZDUSSCGKSA-N 1 0 349.456 3.063 20 5 EGBDRO CO[C@@](C)([C@@H](C)[NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000411967264 458025009 /nfs/dbraw/zinc/02/50/09/458025009.db2.gz HXAFHWFOWMYCPI-ACJLOTCBSA-N 1 0 349.431 3.025 20 5 EGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](N2CCCC2=O)CC1 ZINC000412060096 458074139 /nfs/dbraw/zinc/07/41/39/458074139.db2.gz YZGXAAFZHDERBG-GJZGRUSLSA-N 1 0 331.416 3.133 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCCC12CC[NH+](C)CC2 ZINC000362350100 458121760 /nfs/dbraw/zinc/12/17/60/458121760.db2.gz FFPBKZSTBKHZJI-UHFFFAOYSA-N 1 0 346.431 3.304 20 5 EGBDRO [NH3+]C[C@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000435380811 458127779 /nfs/dbraw/zinc/12/77/79/458127779.db2.gz SZSZTSFJFFZNPS-LLVKDONJSA-N 1 0 335.791 3.289 20 5 EGBDRO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000371942801 458132659 /nfs/dbraw/zinc/13/26/59/458132659.db2.gz HTHJCNROHBRMRY-GOSISDBHSA-N 1 0 344.415 3.243 20 5 EGBDRO CC[C@@]1(C)CCC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000362391564 458147419 /nfs/dbraw/zinc/14/74/19/458147419.db2.gz QFRMYAUQGAMEDA-AEFFLSMTSA-N 1 0 331.416 3.212 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCC[N@@H+]1CCCC(C)(C)C1 ZINC000446262200 458168079 /nfs/dbraw/zinc/16/80/79/458168079.db2.gz JTLTUGYTOXGBLB-UHFFFAOYSA-N 1 0 348.447 3.455 20 5 EGBDRO C[C@H](NC(=O)NCC[N@@H+]1CCCC(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000458888560 458205901 /nfs/dbraw/zinc/20/59/01/458205901.db2.gz MEHUYUKIZYFAOZ-AWEZNQCLSA-N 1 0 348.447 3.077 20 5 EGBDRO CCOCCC[N@@H+]1CC[C@@H](Nc2cc(C)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000447080125 458262873 /nfs/dbraw/zinc/26/28/73/458262873.db2.gz YZKKAKORUMTFNJ-HZPDHXFCSA-N 1 0 335.448 3.452 20 5 EGBDRO C[N@H+](CCCNc1c2c(ccc1[N+](=O)[O-])NCC2)Cc1ccccc1 ZINC000436262209 458278366 /nfs/dbraw/zinc/27/83/66/458278366.db2.gz KWYDMJNSONTUKT-UHFFFAOYSA-N 1 0 340.427 3.497 20 5 EGBDRO COc1ccc(CC[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000447515928 458303587 /nfs/dbraw/zinc/30/35/87/458303587.db2.gz DSOLDDOSXOEOAF-IAGOWNOFSA-N 1 0 344.415 3.116 20 5 EGBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000447808649 458345604 /nfs/dbraw/zinc/34/56/04/458345604.db2.gz XVSKBTNKCPEMND-MRXNPFEDSA-N 1 0 346.431 3.012 20 5 EGBDRO Cc1cccc2c1C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC2 ZINC000429573936 458347558 /nfs/dbraw/zinc/34/75/58/458347558.db2.gz OJGAXKIGIFSHCQ-UHFFFAOYSA-N 1 0 339.395 3.290 20 5 EGBDRO C[C@H]1CC[C@H]([N@H+](CCO)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000429765192 458367732 /nfs/dbraw/zinc/36/77/32/458367732.db2.gz AIMLQTKUTJCSAR-GUYCJALGSA-N 1 0 345.399 3.233 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000448065703 458385856 /nfs/dbraw/zinc/38/58/56/458385856.db2.gz XQAACROFKRUSAX-MRXNPFEDSA-N 1 0 348.447 3.454 20 5 EGBDRO CCO[C@@H]1C[C@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2OC)C12CCC2 ZINC000430213986 458422810 /nfs/dbraw/zinc/42/28/10/458422810.db2.gz DINRUMVZBPRJNF-DLBZAZTESA-N 1 0 334.416 3.383 20 5 EGBDRO C[C@@H]1CCCC[C@]1(C)[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000459616854 458429513 /nfs/dbraw/zinc/42/95/13/458429513.db2.gz QMXWYWANZSCZST-ACJLOTCBSA-N 1 0 331.416 3.042 20 5 EGBDRO CC(C)O[C@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000459634588 458432301 /nfs/dbraw/zinc/43/23/01/458432301.db2.gz OKRBYPXQXSOANA-BJHJDKERSA-N 1 0 330.331 3.242 20 5 EGBDRO Cc1cccc(CCC[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000373284598 458451332 /nfs/dbraw/zinc/45/13/32/458451332.db2.gz LXGMKULPVMVJTL-UHFFFAOYSA-N 1 0 328.416 3.369 20 5 EGBDRO CC(C)c1ccc(C(=O)NCc2ccc3c(c2)C[NH2+]C3)cc1[N+](=O)[O-] ZINC000423589486 458460669 /nfs/dbraw/zinc/46/06/69/458460669.db2.gz ICADUVUFUZIKAK-UHFFFAOYSA-N 1 0 339.395 3.251 20 5 EGBDRO CCC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C1CCC1 ZINC000459769382 458474144 /nfs/dbraw/zinc/47/41/44/458474144.db2.gz BUHLEPBFWPLIAO-SWLSCSKDSA-N 1 0 349.431 3.489 20 5 EGBDRO O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000437852392 458502359 /nfs/dbraw/zinc/50/23/59/458502359.db2.gz LSKPQHRCYBAKFC-QGZVFWFLSA-N 1 0 331.416 3.122 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCOC2(CCOCC2)C1 ZINC000469117070 458555288 /nfs/dbraw/zinc/55/52/88/458555288.db2.gz WAFDJGMDDQTIEI-JBXOJTMHSA-N 1 0 346.427 3.316 20 5 EGBDRO [NH3+][C@H](CCC(=O)NCCc1ccccc1[N+](=O)[O-])CC1CCCCC1 ZINC000424119648 458562795 /nfs/dbraw/zinc/56/27/95/458562795.db2.gz FZEWZULYTYFICU-QGZVFWFLSA-N 1 0 347.459 3.331 20 5 EGBDRO CCC1(CC)CC[N@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000438483547 458584355 /nfs/dbraw/zinc/58/43/55/458584355.db2.gz DKRQRUCOLQXUTJ-UHFFFAOYSA-N 1 0 349.431 3.444 20 5 EGBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](CC(C)C)[NH+](C)C ZINC000462769805 458652010 /nfs/dbraw/zinc/65/20/10/458652010.db2.gz ZMDAEKCZOGHJQQ-WMZOPIPTSA-N 1 0 349.475 3.256 20 5 EGBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCC[N@H+](CC)C1 ZINC000462762784 458652313 /nfs/dbraw/zinc/65/23/13/458652313.db2.gz OAKATCBVVZRAMS-IRXDYDNUSA-N 1 0 347.459 3.012 20 5 EGBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]C2CCN(CC(F)F)CC2)cc1 ZINC000463208047 458681822 /nfs/dbraw/zinc/68/18/22/458681822.db2.gz WBEMSTOBGLVXSC-UHFFFAOYSA-N 1 0 341.402 3.237 20 5 EGBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H]2CCCCC23CCCC3)c1 ZINC000463446973 458700939 /nfs/dbraw/zinc/70/09/39/458700939.db2.gz VDTICMDSOAUKMV-AEFFLSMTSA-N 1 0 348.443 3.427 20 5 EGBDRO CC[C@@H](C)[NH+]1CCN(C(=O)[C@H](CC)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000456538912 458706857 /nfs/dbraw/zinc/70/68/57/458706857.db2.gz XYDQPUKAQVZFKP-NVXWUHKLSA-N 1 0 347.459 3.106 20 5 EGBDRO C[N@@H+]1CCC[C@@H]2CN(c3ccnc4c3cccc4[N+](=O)[O-])CC[C@H]21 ZINC000432339633 458720220 /nfs/dbraw/zinc/72/02/20/458720220.db2.gz UGYMSAHSKIMJPZ-UKRRQHHQSA-N 1 0 326.400 3.064 20 5 EGBDRO Cc1cc(NC(=O)N2CC[NH+](CCC(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000473778079 458841943 /nfs/dbraw/zinc/84/19/43/458841943.db2.gz JLHRHRBWJOYSPM-UHFFFAOYSA-N 1 0 348.447 3.489 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000457097482 458865333 /nfs/dbraw/zinc/86/53/33/458865333.db2.gz RYBWCTQQOOSFQJ-OAHLLOKOSA-N 1 0 333.432 3.075 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1COc2c(C)cccc2C1 ZINC000518623429 458881838 /nfs/dbraw/zinc/88/18/38/458881838.db2.gz JTQCRQOIQWNJRR-MRXNPFEDSA-N 1 0 342.395 3.395 20 5 EGBDRO CC(C)(C)[N@@H+]1CCCN(c2ccnc3c2cccc3[N+](=O)[O-])CC1 ZINC000555759222 458909811 /nfs/dbraw/zinc/90/98/11/458909811.db2.gz CESLEVILIXXFJP-UHFFFAOYSA-N 1 0 328.416 3.454 20 5 EGBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000467052619 458948881 /nfs/dbraw/zinc/94/88/81/458948881.db2.gz ATKFXWNXJOTTFM-MLGOLLRUSA-N 1 0 345.443 3.105 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000475643775 458957043 /nfs/dbraw/zinc/95/70/43/458957043.db2.gz XRDLAMBTTCIFFD-DOMZBBRYSA-N 1 0 348.447 3.454 20 5 EGBDRO C[C@H](C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000566656152 458976881 /nfs/dbraw/zinc/97/68/81/458976881.db2.gz XSPFMUGQGSXKSL-HOTGVXAUSA-N 1 0 347.459 3.327 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCc2nc(C)ncc2C1 ZINC000532202765 459045560 /nfs/dbraw/zinc/04/55/60/459045560.db2.gz YDRVHRQJFOBGKD-SWLSCSKDSA-N 1 0 326.400 3.210 20 5 EGBDRO Cc1c([C@H](C)[NH2+][C@H]2CC[C@](O)(C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000589949689 459056117 /nfs/dbraw/zinc/05/61/17/459056117.db2.gz HAXXIKPOLKBTDT-COPLHBTASA-N 1 0 332.322 3.400 20 5 EGBDRO C[C@H](c1ccccc1)[C@@H](CO)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594498237 459061504 /nfs/dbraw/zinc/06/15/04/459061504.db2.gz ICFHUSFKVKDNOB-FSPWUOQZSA-N 1 0 326.396 3.336 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](C)C(=O)OC(C)(C)C ZINC000594517316 459074497 /nfs/dbraw/zinc/07/44/97/459074497.db2.gz ADDLSGWLQYTCNL-GFCCVEGCSA-N 1 0 338.404 3.061 20 5 EGBDRO COc1ccc(-c2ccc(C[N@H+](C[C@@H](C)O)C3CC3)o2)c([N+](=O)[O-])c1 ZINC000594616175 459117244 /nfs/dbraw/zinc/11/72/44/459117244.db2.gz TXQVTKSNKCKIGK-GFCCVEGCSA-N 1 0 346.383 3.209 20 5 EGBDRO CC[N@H+](CCN[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F)C1CC1 ZINC000578076094 459141566 /nfs/dbraw/zinc/14/15/66/459141566.db2.gz YVVBZGBKWUNQNP-AWEZNQCLSA-N 1 0 331.338 3.272 20 5 EGBDRO Cc1ccc(CN[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000594738695 459147639 /nfs/dbraw/zinc/14/76/39/459147639.db2.gz LULYWSFHXCLOJB-QZTJIDSGSA-N 1 0 343.402 3.278 20 5 EGBDRO O=C(CC[NH2+][C@@H]1CCc2cc(F)ccc21)Nc1ccccc1[N+](=O)[O-] ZINC000558579881 459176424 /nfs/dbraw/zinc/17/64/24/459176424.db2.gz PTKIXHMPUDRNAK-OAHLLOKOSA-N 1 0 343.358 3.340 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc(O[C@H]3CCOC3)cc2)cc1 ZINC000594923894 459176789 /nfs/dbraw/zinc/17/67/89/459176789.db2.gz GXOVFBDKSYOZOH-SFHVURJKSA-N 1 0 328.368 3.052 20 5 EGBDRO CCOc1ccc(NC(=O)C[N@H+](CC2CC2)C(C)C)c([N+](=O)[O-])c1 ZINC000533037105 459179357 /nfs/dbraw/zinc/17/93/57/459179357.db2.gz QBMHIYMACZZMRR-UHFFFAOYSA-N 1 0 335.404 3.052 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2csc(NC[C@H]3CC[N@@H+](C4CC4)C3)n2)cc1 ZINC000590685396 459181622 /nfs/dbraw/zinc/18/16/22/459181622.db2.gz INJMGHODCJWINL-GFCCVEGCSA-N 1 0 344.440 3.036 20 5 EGBDRO O=[N+]([O-])c1cccc(CC[NH2+]Cc2ccc(O[C@H]3CCOC3)cc2)c1 ZINC000594939960 459185498 /nfs/dbraw/zinc/18/54/98/459185498.db2.gz WZCXSQZSHBATMJ-IBGZPJMESA-N 1 0 342.395 3.095 20 5 EGBDRO CC(C)c1ccc(C[NH2+][C@@H]2CCC[C@H]([S@](C)=O)C2)cc1[N+](=O)[O-] ZINC000594961951 459194485 /nfs/dbraw/zinc/19/44/85/459194485.db2.gz BLBJLWYNNQMMHT-USGALAMMSA-N 1 0 338.473 3.498 20 5 EGBDRO C[C@@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H]2CCCC[C@@H]12 ZINC000533238757 459205029 /nfs/dbraw/zinc/20/50/29/459205029.db2.gz KDCCVIDTWZNLOQ-KCXAZCMYSA-N 1 0 331.416 3.094 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](C)Cc1c(C)noc1C ZINC000595007054 459213030 /nfs/dbraw/zinc/21/30/30/459213030.db2.gz FJTIHYBBNOCVSU-QWRGUYRKSA-N 1 0 333.388 3.490 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000595009705 459214539 /nfs/dbraw/zinc/21/45/39/459214539.db2.gz CXNOUDRERYLRBS-LSDHHAIUSA-N 1 0 335.448 3.374 20 5 EGBDRO C[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000595062219 459231535 /nfs/dbraw/zinc/23/15/35/459231535.db2.gz SDERWZQWGBMIAX-STWAREBASA-N 1 0 336.457 3.252 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000595230304 459259510 /nfs/dbraw/zinc/25/95/10/459259510.db2.gz PJEUKWIPTXGNKE-HNNXBMFYSA-N 1 0 346.431 3.147 20 5 EGBDRO Cc1noc(CN2CC[C@@H](Oc3ccccc3Cl)C2)c1[N+](=O)[O-] ZINC000595398401 459291446 /nfs/dbraw/zinc/29/14/46/459291446.db2.gz VAFIQZRLRSBPCG-LLVKDONJSA-N 1 0 337.763 3.198 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C2CCC2)C1 ZINC000591061795 459303149 /nfs/dbraw/zinc/30/31/49/459303149.db2.gz IRAQSGKWORYYPV-GXTWGEPZSA-N 1 0 347.415 3.052 20 5 EGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCN1CC[C@H](C)C1 ZINC000534329402 459315791 /nfs/dbraw/zinc/31/57/91/459315791.db2.gz QPRIWOYTEZUGQQ-LSDHHAIUSA-N 1 0 337.489 3.397 20 5 EGBDRO C[N@@H+]1CCC[C@@H]2CN(c3nccc4ccc([N+](=O)[O-])cc43)CC[C@H]21 ZINC000591151128 459322964 /nfs/dbraw/zinc/32/29/64/459322964.db2.gz UMDAPFIOENKNLT-RHSMWYFYSA-N 1 0 326.400 3.064 20 5 EGBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000595489629 459323406 /nfs/dbraw/zinc/32/34/06/459323406.db2.gz NEHMYNBLXJJQMM-QGZVFWFLSA-N 1 0 341.386 3.371 20 5 EGBDRO O=[N+]([O-])c1cccc(CN2CCC([NH2+]Cc3ccccc3)CC2)c1 ZINC000595509988 459330697 /nfs/dbraw/zinc/33/06/97/459330697.db2.gz IMARSDZTGCHCQA-UHFFFAOYSA-N 1 0 325.412 3.349 20 5 EGBDRO Cc1cc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)nc(C)n1 ZINC000595527648 459336128 /nfs/dbraw/zinc/33/61/28/459336128.db2.gz WEOVGQWQFMOWIB-INIZCTEOSA-N 1 0 326.400 3.381 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCOC[C@@H]1CCOC1)CCCC2 ZINC000591347963 459358750 /nfs/dbraw/zinc/35/87/50/459358750.db2.gz LKIZVNBZZROPKA-RDTXWAMCSA-N 1 0 334.416 3.005 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCCN(CC(F)F)CC1 ZINC000568894742 459363165 /nfs/dbraw/zinc/36/31/65/459363165.db2.gz VJMWQDJUTSRRFM-UVTDQMKNSA-N 1 0 339.386 3.271 20 5 EGBDRO CC(C)[C@@H]1CCC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000524484216 459367396 /nfs/dbraw/zinc/36/73/96/459367396.db2.gz NUYDYVJWYZLJRA-NVXWUHKLSA-N 1 0 336.432 3.093 20 5 EGBDRO CC[C@H]1C[N@H+](C)CCN1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000560615709 459381502 /nfs/dbraw/zinc/38/15/02/459381502.db2.gz RGDDPJBVTHFFRA-AWEZNQCLSA-N 1 0 329.400 3.381 20 5 EGBDRO C[C@H](C(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000582583036 459388147 /nfs/dbraw/zinc/38/81/47/459388147.db2.gz OSONGTRYPYWXRX-KSSFIOAISA-N 1 0 341.411 3.117 20 5 EGBDRO CCOc1ccc([C@@H](C)N[C@@H]2CC[NH2+]C3(CCC3)C2)cc1[N+](=O)[O-] ZINC000591582292 459407458 /nfs/dbraw/zinc/40/74/58/459407458.db2.gz FISUIONZBXVKDK-UKRRQHHQSA-N 1 0 333.432 3.319 20 5 EGBDRO COc1ccc(OCCOc2ccc([C@H](C)[NH3+])cc2)c([N+](=O)[O-])c1 ZINC000591687364 459422758 /nfs/dbraw/zinc/42/27/58/459422758.db2.gz SSPWSSUWWLYUSU-LBPRGKRZSA-N 1 0 332.356 3.081 20 5 EGBDRO Cc1ccc(CC[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])c(C)c1 ZINC000591728404 459425678 /nfs/dbraw/zinc/42/56/78/459425678.db2.gz UOOPRXKKEUNTNS-UHFFFAOYSA-N 1 0 341.411 3.373 20 5 EGBDRO C[C@@H](CC[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000591730873 459426017 /nfs/dbraw/zinc/42/60/17/459426017.db2.gz SJHKNOWTFLQINN-DOTOQJQBSA-N 1 0 344.411 3.118 20 5 EGBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000497078524 459430746 /nfs/dbraw/zinc/43/07/46/459430746.db2.gz GRMLWCPWNXOXDG-AWEZNQCLSA-N 1 0 333.432 3.106 20 5 EGBDRO COc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)cc1[N+](=O)[O-] ZINC000595792255 459444508 /nfs/dbraw/zinc/44/45/08/459444508.db2.gz YVWPOQQOAYETAG-RDJZCZTQSA-N 1 0 334.416 3.385 20 5 EGBDRO C[C@H]1CC[N@H+](C)CCN1c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000485396462 459452538 /nfs/dbraw/zinc/45/25/38/459452538.db2.gz WHXADYNTNSZSFT-ZDUSSCGKSA-N 1 0 344.390 3.326 20 5 EGBDRO CC(C)(C)[NH2+]CCNc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000485395049 459452920 /nfs/dbraw/zinc/45/29/20/459452920.db2.gz BYCJSGRVYAEKHA-UHFFFAOYSA-N 1 0 332.379 3.018 20 5 EGBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000595834373 459457948 /nfs/dbraw/zinc/45/79/48/459457948.db2.gz YUMOSSOOGZMFJH-MRXNPFEDSA-N 1 0 328.368 3.127 20 5 EGBDRO COc1ccc(C[NH2+]C2(c3ccccc3)CCOCC2)cc1[N+](=O)[O-] ZINC000525697053 459479719 /nfs/dbraw/zinc/47/97/19/459479719.db2.gz BIWZVULZNDTWET-UHFFFAOYSA-N 1 0 342.395 3.399 20 5 EGBDRO CCCN(C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)[C@H]1CC[N@H+](C)C1 ZINC000591976851 459503281 /nfs/dbraw/zinc/50/32/81/459503281.db2.gz SMPUUJCMWFTJMG-ZBFHGGJFSA-N 1 0 348.447 3.090 20 5 EGBDRO CC(C)C[N@@H+]1CCO[C@@H](CNc2ccc(C(F)F)cc2[N+](=O)[O-])C1 ZINC000596059251 459505060 /nfs/dbraw/zinc/50/50/60/459505060.db2.gz NTNNKBYYZUEARP-ZDUSSCGKSA-N 1 0 343.374 3.301 20 5 EGBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(c2c(Cl)cncc2[N+](=O)[O-])C1 ZINC000596081657 459512073 /nfs/dbraw/zinc/51/20/73/459512073.db2.gz IRGMFIMFHCFZGW-UPJWGTAASA-N 1 0 338.839 3.485 20 5 EGBDRO CCC[C@H](C)[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000486802827 459524031 /nfs/dbraw/zinc/52/40/31/459524031.db2.gz WZRYAKGKCDHNEV-BBRMVZONSA-N 1 0 349.431 3.443 20 5 EGBDRO C[C@H](C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000562300309 459532976 /nfs/dbraw/zinc/53/29/76/459532976.db2.gz QAWBFYWRLKKSAP-XJKSGUPXSA-N 1 0 335.448 3.181 20 5 EGBDRO CC[N@H+](C)C[C@@H]1CCN(c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000596142486 459534246 /nfs/dbraw/zinc/53/42/46/459534246.db2.gz MSOSNQIBLSQQBM-NSHDSACASA-N 1 0 342.237 3.135 20 5 EGBDRO C[C@H](C(=O)NC[C@H](c1ccsc1)[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000583418172 459534768 /nfs/dbraw/zinc/53/47/68/459534768.db2.gz PKSLQVJKGYRREN-BLLLJJGKSA-N 1 0 347.440 3.179 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)CCC(C)(C)C ZINC000592144827 459536053 /nfs/dbraw/zinc/53/60/53/459536053.db2.gz JPRGATSKELOUMW-UHFFFAOYSA-N 1 0 337.420 3.300 20 5 EGBDRO CC[C@@H](NC(=O)NCc1ccc(C[NH3+])cc1)c1cccc([N+](=O)[O-])c1 ZINC000592214494 459552064 /nfs/dbraw/zinc/55/20/64/459552064.db2.gz JXUUFBIMZDPCHF-QGZVFWFLSA-N 1 0 342.399 3.004 20 5 EGBDRO CC(C)n1cc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cn1 ZINC000542572647 459572290 /nfs/dbraw/zinc/57/22/90/459572290.db2.gz BLZHCUIMZORPDK-CHWSQXEVSA-N 1 0 345.403 3.050 20 5 EGBDRO C[NH+](C)C1CCC2(CC1)CCN(c1ncc([N+](=O)[O-])cc1F)CC2 ZINC000596256043 459576489 /nfs/dbraw/zinc/57/64/89/459576489.db2.gz XDYBFOJUEHYHDC-UHFFFAOYSA-N 1 0 336.411 3.220 20 5 EGBDRO Cc1c(C(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC000498355124 459584173 /nfs/dbraw/zinc/58/41/73/459584173.db2.gz TZAGSTJJVJKVIQ-GOSISDBHSA-N 1 0 347.459 3.390 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(CN3CC[C@@H]4CC[NH2+][C@H]4C3)o2)cc1 ZINC000592432368 459599390 /nfs/dbraw/zinc/59/93/90/459599390.db2.gz FXFRHMIEZWFZMW-GUYCJALGSA-N 1 0 327.384 3.039 20 5 EGBDRO C[C@H](CC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)[C@H]1CCC[NH2+]C1 ZINC000573327490 459660624 /nfs/dbraw/zinc/66/06/24/459660624.db2.gz MSXFXKWTALMVFK-ZBFHGGJFSA-N 1 0 345.443 3.112 20 5 EGBDRO CCCN(C(=O)[C@@H](CC)Cc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@H+](C)C1 ZINC000592829557 459700287 /nfs/dbraw/zinc/70/02/87/459700287.db2.gz QNPIIWWLSMLFLN-WMZOPIPTSA-N 1 0 347.459 3.106 20 5 EGBDRO Cc1c(NC(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)cccc1[N+](=O)[O-] ZINC000596635844 459707664 /nfs/dbraw/zinc/70/76/64/459707664.db2.gz QICUBLUBXONONW-HNNXBMFYSA-N 1 0 346.431 3.147 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](Cc3cc4n(n3)CCC4)C2)cc1 ZINC000593030481 459746140 /nfs/dbraw/zinc/74/61/40/459746140.db2.gz OZYPUUSCFOFDEF-HNNXBMFYSA-N 1 0 326.400 3.117 20 5 EGBDRO CC[C@@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@@H](CC)CO1 ZINC000593058820 459759261 /nfs/dbraw/zinc/75/92/61/459759261.db2.gz PBCDVKHDXLWWOQ-GOEBONIOSA-N 1 0 349.431 3.121 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000596787082 459763140 /nfs/dbraw/zinc/76/31/40/459763140.db2.gz CZEYBAGEOWHADJ-AWEZNQCLSA-N 1 0 348.447 3.454 20 5 EGBDRO CC[N@H+](CCCNC(=O)Cc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000593251816 459821062 /nfs/dbraw/zinc/82/10/62/459821062.db2.gz VBADAFCQLQWYTC-UHFFFAOYSA-N 1 0 347.459 3.298 20 5 EGBDRO CN(CC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000574598321 459839021 /nfs/dbraw/zinc/83/90/21/459839021.db2.gz RYODNPPTUZZQFN-IAGOWNOFSA-N 1 0 343.431 3.001 20 5 EGBDRO CC(=O)Nc1cccc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000574770260 459869391 /nfs/dbraw/zinc/86/93/91/459869391.db2.gz HZENMXCTPPDWOG-KRWDZBQOSA-N 1 0 325.368 3.330 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2ccc(-n3ccnc3)c(F)c2)cc1 ZINC000609222596 459927757 /nfs/dbraw/zinc/92/77/57/459927757.db2.gz SRRLWLOJEMQEKS-UHFFFAOYSA-N 1 0 340.358 3.252 20 5 EGBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCCO[C@H](c3ccccc3)C2)c1 ZINC000609234274 459928981 /nfs/dbraw/zinc/92/89/81/459928981.db2.gz OSEVQNWHQGBOCH-IBGZPJMESA-N 1 0 342.395 3.437 20 5 EGBDRO O=C(CC[N@@H+]1CCCc2sccc2C1)Nc1ccccc1[N+](=O)[O-] ZINC000609322918 459943555 /nfs/dbraw/zinc/94/35/55/459943555.db2.gz NRLQLSLHRFRSAN-UHFFFAOYSA-N 1 0 345.424 3.433 20 5 EGBDRO C[C@H](O)C[C@H]1CCC[N@@H+]1Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602474450 459956202 /nfs/dbraw/zinc/95/62/02/459956202.db2.gz OYFBHFZIIMVTIF-GXFFZTMASA-N 1 0 332.322 3.349 20 5 EGBDRO COc1ccc(C[NH+](C)C)cc1NCCc1ccc([N+](=O)[O-])cc1 ZINC000602490436 459966377 /nfs/dbraw/zinc/96/63/77/459966377.db2.gz CRAWFYQPXDQPEX-UHFFFAOYSA-N 1 0 329.400 3.320 20 5 EGBDRO O=[N+]([O-])c1ncccc1NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000609513852 459972671 /nfs/dbraw/zinc/97/26/71/459972671.db2.gz YHZHDOIICQBSGI-UHFFFAOYSA-N 1 0 342.399 3.077 20 5 EGBDRO O=C1CCCN1c1cccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000602512641 459975875 /nfs/dbraw/zinc/97/58/75/459975875.db2.gz XFVVWFPQIBEZBC-UHFFFAOYSA-N 1 0 339.395 3.054 20 5 EGBDRO COc1cc(CCC[NH2+]Cc2ccccc2[N+](=O)[O-])cc(OC)c1O ZINC000598648877 459977044 /nfs/dbraw/zinc/97/70/44/459977044.db2.gz MKJUNMJMPOIAHP-UHFFFAOYSA-N 1 0 346.383 3.040 20 5 EGBDRO C[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@H]1CO ZINC000598678440 459988838 /nfs/dbraw/zinc/98/88/38/459988838.db2.gz YKDPOMPBJGNMPV-KBPBESRZSA-N 1 0 330.384 3.305 20 5 EGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000602551817 459993797 /nfs/dbraw/zinc/99/37/97/459993797.db2.gz JVXOJCSLDBBYPF-RISCZKNCSA-N 1 0 332.322 3.254 20 5 EGBDRO O=[N+]([O-])c1sc(C[NH2+][C@H]2CCCSC2)cc1Br ZINC000602567279 460001786 /nfs/dbraw/zinc/00/17/86/460001786.db2.gz JRSXSWBNMIUMJK-ZETCQYMHSA-N 1 0 337.264 3.404 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCCc3cccs3)CC2)cn1 ZINC000602575395 460004117 /nfs/dbraw/zinc/00/41/17/460004117.db2.gz GVMFAVLNQQKZMI-UHFFFAOYSA-N 1 0 346.456 3.243 20 5 EGBDRO [NH3+][C@@]12CCC[C@H]1CN(C(=O)c1cc3ccccc3c3cccnc13)C2 ZINC000621694709 460011211 /nfs/dbraw/zinc/01/12/11/460011211.db2.gz KYIKAVGERMZFES-YCRPNKLZSA-N 1 0 331.419 3.341 20 5 EGBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1ncc([N+](=O)[O-])cc1Cl ZINC000609892013 460035165 /nfs/dbraw/zinc/03/51/65/460035165.db2.gz AJEHMFWMDGXIBE-IJLUTSLNSA-N 1 0 326.828 3.422 20 5 EGBDRO COCCC1([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CCC1 ZINC000602638594 460036126 /nfs/dbraw/zinc/03/61/26/460036126.db2.gz QTXHASLLRZAKGE-UHFFFAOYSA-N 1 0 349.250 3.468 20 5 EGBDRO C[C@@]1(O)CCC[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602650945 460042971 /nfs/dbraw/zinc/04/29/71/460042971.db2.gz TYIHDQCLXQUCPD-CQSZACIVSA-N 1 0 332.322 3.351 20 5 EGBDRO O=[N+]([O-])c1sc(C[NH2+][C@@H]2CCCCC[C@H]2O)cc1Br ZINC000602661332 460050461 /nfs/dbraw/zinc/05/04/61/460050461.db2.gz DBFHEHVKQQSGRX-GHMZBOCLSA-N 1 0 349.250 3.202 20 5 EGBDRO C[C@@H]1CCC[C@@]1(O)C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602677601 460059213 /nfs/dbraw/zinc/05/92/13/460059213.db2.gz XDYFDZLRETXRIN-QMTHXVAHSA-N 1 0 332.322 3.254 20 5 EGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@H]2CCOc3ccccc32)n1 ZINC000618561691 460061068 /nfs/dbraw/zinc/06/10/68/460061068.db2.gz LXBGNKYARIRZTB-HRCADAONSA-N 1 0 342.399 3.388 20 5 EGBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@@H]3[C@@H]3CCCOC3)nc2c1 ZINC000602703021 460074535 /nfs/dbraw/zinc/07/45/35/460074535.db2.gz XHHMFHQXXNUAQG-IUODEOHRSA-N 1 0 331.372 3.127 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000597861982 460083516 /nfs/dbraw/zinc/08/35/16/460083516.db2.gz YNSGMYBAODCVBP-HNNXBMFYSA-N 1 0 347.459 3.370 20 5 EGBDRO CO[C@@H](C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CCCCC1 ZINC000602722057 460086015 /nfs/dbraw/zinc/08/60/15/460086015.db2.gz LMARQPXNNYUDMG-INIZCTEOSA-N 1 0 333.388 3.421 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594075433 460089907 /nfs/dbraw/zinc/08/99/07/460089907.db2.gz XAAHTRKDOKCIAL-GOEBONIOSA-N 1 0 346.431 3.350 20 5 EGBDRO [NH3+]C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CCCCC1 ZINC000598914368 460092098 /nfs/dbraw/zinc/09/20/98/460092098.db2.gz BOBCAJSERLBXEZ-AWEZNQCLSA-N 1 0 340.811 3.277 20 5 EGBDRO COc1cccc([C@H]2C[C@@H](C)C[N@@H+]2CCn2c(C)ncc2[N+](=O)[O-])c1 ZINC000602801465 460132907 /nfs/dbraw/zinc/13/29/07/460132907.db2.gz DKVRMOXNJRPXKP-CXAGYDPISA-N 1 0 344.415 3.191 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](C)c1ccc(F)cc1Cl ZINC000602804526 460136400 /nfs/dbraw/zinc/13/64/00/460136400.db2.gz HSCRSVQVTQUQJT-SECBINFHSA-N 1 0 326.759 3.243 20 5 EGBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H](c3cc4ccccc4[nH]3)C2)c1 ZINC000610447412 460154201 /nfs/dbraw/zinc/15/42/01/460154201.db2.gz CXPAPGHTEUWQKA-HNNXBMFYSA-N 1 0 339.399 3.152 20 5 EGBDRO CSC1CC[NH+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000602924703 460187393 /nfs/dbraw/zinc/18/73/93/460187393.db2.gz ZNMBKUGKUGDTBK-UHFFFAOYSA-N 1 0 337.445 3.059 20 5 EGBDRO CCC(C)(C)[NH+]1CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000594390701 460203848 /nfs/dbraw/zinc/20/38/48/460203848.db2.gz YUXJKLOKWBXVKU-UHFFFAOYSA-N 1 0 339.823 3.195 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000610661358 460207165 /nfs/dbraw/zinc/20/71/65/460207165.db2.gz ZQWBSCXHOVIDBA-ZDUSSCGKSA-N 1 0 334.420 3.063 20 5 EGBDRO CC[C@@H](C[NH+]1CCCC1)Nc1ccc(C(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000610715942 460224025 /nfs/dbraw/zinc/22/40/25/460224025.db2.gz HYDLZPNYKCIGSF-HNNXBMFYSA-N 1 0 348.447 3.019 20 5 EGBDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000610786838 460236925 /nfs/dbraw/zinc/23/69/25/460236925.db2.gz WYWMCNHGMGMSIN-HNNXBMFYSA-N 1 0 332.448 3.471 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1CN1CCC[C@@](OC)(C(F)(F)F)C1 ZINC000614923414 460245362 /nfs/dbraw/zinc/24/53/62/460245362.db2.gz ACVVGUFROMJOHC-AWEZNQCLSA-N 1 0 348.321 3.147 20 5 EGBDRO Cc1ccc(C[NH2+]C2(c3ccc4c(c3)OCO4)CC2)cc1[N+](=O)[O-] ZINC000610899287 460258211 /nfs/dbraw/zinc/25/82/11/460258211.db2.gz VMSHNQGKMORDQQ-UHFFFAOYSA-N 1 0 326.352 3.411 20 5 EGBDRO C[C@H]1CC(F)(F)CCN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000599624774 460290453 /nfs/dbraw/zinc/29/04/53/460290453.db2.gz YIMOCWPAFDBMME-JTQLQIEISA-N 1 0 338.314 3.264 20 5 EGBDRO C[C@@H](CNc1ccccc1[N+](=O)[O-])[NH+]1CCN(c2ccccc2)CC1 ZINC000603854052 460348433 /nfs/dbraw/zinc/34/84/33/460348433.db2.gz MVANHICXZWDTSE-INIZCTEOSA-N 1 0 340.427 3.217 20 5 EGBDRO CCN(C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000599986778 460367017 /nfs/dbraw/zinc/36/70/17/460367017.db2.gz ZYNUFVMTEJKIHO-UHFFFAOYSA-N 1 0 347.459 3.449 20 5 EGBDRO C[C@H]([NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1ccsc1 ZINC000619783272 460442949 /nfs/dbraw/zinc/44/29/49/460442949.db2.gz PYWVBFLWQOLUJG-NSHDSACASA-N 1 0 347.396 3.305 20 5 EGBDRO C[N@@H+]1CC[C@@H]2CN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])C[C@@H]2C1 ZINC000601185683 460742996 /nfs/dbraw/zinc/74/29/96/460742996.db2.gz YQVCBDQLRMUZDE-MNOVXSKESA-N 1 0 329.322 3.002 20 5 EGBDRO COc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000601267307 460769639 /nfs/dbraw/zinc/76/96/39/460769639.db2.gz JJVVASCXRPTZOZ-KRWDZBQOSA-N 1 0 328.368 3.389 20 5 EGBDRO COc1cc(C[NH+](C)C)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000601620239 460848119 /nfs/dbraw/zinc/84/81/19/460848119.db2.gz ILGZXQOBHFGYTO-UHFFFAOYSA-N 1 0 343.383 3.226 20 5 EGBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000613244707 460881718 /nfs/dbraw/zinc/88/17/18/460881718.db2.gz PCFUQUMVRBLSSS-DLBZAZTESA-N 1 0 347.459 3.153 20 5 EGBDRO Cc1ncc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)s1 ZINC000601936310 460950913 /nfs/dbraw/zinc/95/09/13/460950913.db2.gz RWGMWBQKENEOJZ-MNOVXSKESA-N 1 0 348.428 3.346 20 5 EGBDRO CC(C)[N@@H+]1CCC[C@@H](CNc2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000611707030 469306914 /nfs/dbraw/zinc/30/69/14/469306914.db2.gz CZFZAXQKSARRPH-ZDUSSCGKSA-N 1 0 329.404 3.070 20 5 EGBDRO C[C@H](NC(=O)c1csc([N+](=O)[O-])c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000187237171 533779059 /nfs/dbraw/zinc/77/90/59/533779059.db2.gz LZLADYVSFGIDPK-NHYWBVRUSA-N 1 0 333.413 3.078 20 5 EGBDRO C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1nc(-c2ccccc2)cs1 ZINC000184519522 533876572 /nfs/dbraw/zinc/87/65/72/533876572.db2.gz HILUFMNLWDULHI-LBPRGKRZSA-N 1 0 343.412 3.266 20 5 EGBDRO C[C@@H](CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000136544560 534029391 /nfs/dbraw/zinc/02/93/91/534029391.db2.gz XFKHBIXZEBKVFM-LBPRGKRZSA-N 1 0 339.823 3.100 20 5 EGBDRO Cc1cccc(C(=O)N2CCC(CCC[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000132390244 534586526 /nfs/dbraw/zinc/58/65/26/534586526.db2.gz SBWCVBKDKLMDGO-UHFFFAOYSA-N 1 0 333.432 3.097 20 5 EGBDRO C[C@@H](NC(=O)NC[C@@H](C)[NH+]1CCC(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000067706688 525207140 /nfs/dbraw/zinc/20/71/40/525207140.db2.gz LYWQHKAOJNGJJO-HUUCEWRRSA-N 1 0 348.447 3.075 20 5 EGBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000191333972 527893397 /nfs/dbraw/zinc/89/33/97/527893397.db2.gz UFXTVLHIKDCLNT-CABCVRRESA-N 1 0 346.431 3.302 20 5 EGBDRO CC(C)[NH+]1CCC(Nc2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000160359779 529001730 /nfs/dbraw/zinc/00/17/30/529001730.db2.gz SLKGVQAMNRWGIT-UHFFFAOYSA-N 1 0 343.225 3.037 20 5 EGBDRO CC[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1nc(C)cs1 ZINC000184420611 529159975 /nfs/dbraw/zinc/15/99/75/529159975.db2.gz VYFMACVGORJZNT-GFCCVEGCSA-N 1 0 348.428 3.429 20 5 EGBDRO C[C@@H](CCNC(=O)c1c(Cl)cccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000182250613 574535526 /nfs/dbraw/zinc/53/55/26/574535526.db2.gz UDWSXNMVWJFMDO-LBPRGKRZSA-N 1 0 339.823 3.243 20 5 EGBDRO CC(C)Oc1ccc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000731679132 575199641 /nfs/dbraw/zinc/19/96/41/575199641.db2.gz XOMMDZBEWBBSBN-GOSISDBHSA-N 1 0 330.384 3.205 20 5 EGBDRO CN(C[C@H]1CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000743867834 576817770 /nfs/dbraw/zinc/81/77/70/576817770.db2.gz VEXLKOPVGAZDPK-MRXNPFEDSA-N 1 0 349.431 3.426 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCC(C[NH+]3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000744171254 576822290 /nfs/dbraw/zinc/82/22/90/576822290.db2.gz CFTFXCGAEGCMOE-UHFFFAOYSA-N 1 0 348.403 3.205 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H]1CN(C)Cc2ccccc21 ZINC000873098526 1297271781 /nfs/dbraw/zinc/27/17/81/1297271781.db2.gz RSJOLLXBOFEIOT-GOSISDBHSA-N 1 0 325.412 3.488 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H]1CN(C)Cc2ccccc21 ZINC000873098529 1297272036 /nfs/dbraw/zinc/27/20/36/1297272036.db2.gz RSJOLLXBOFEIOT-SFHVURJKSA-N 1 0 325.412 3.488 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+]C2CCC(O)(c3cccnc3)CC2)c(F)c1 ZINC000769929565 1303194624 /nfs/dbraw/zinc/19/46/24/1303194624.db2.gz CFPQEFUZGPPUIC-UHFFFAOYSA-N 1 0 345.374 3.049 20 5 EGBDRO C[N@@H+]1CC[C@@H]2CN(c3cc(Cl)c(C(F)(F)F)cc3[N+](=O)[O-])C[C@@H]21 ZINC000828988189 1292525443 /nfs/dbraw/zinc/52/54/43/1292525443.db2.gz RUEDLBSUJNDOIV-OQPBUACISA-N 1 0 349.740 3.407 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCCc3ccccc3CC2)c1 ZINC000831920352 1292936745 /nfs/dbraw/zinc/93/67/45/1292936745.db2.gz GPQJRFCAJXJRQN-IBGZPJMESA-N 1 0 326.396 3.119 20 5 EGBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000832187633 1292968372 /nfs/dbraw/zinc/96/83/72/1292968372.db2.gz LRFJPISEZDZWRD-GFCCVEGCSA-N 1 0 341.839 3.407 20 5 EGBDRO Cc1nc(C)c(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)s1 ZINC000119908584 1293293182 /nfs/dbraw/zinc/29/31/82/1293293182.db2.gz OHRRCELEOQFKDD-UHFFFAOYSA-N 1 0 346.456 3.427 20 5 EGBDRO CCN(C)[C@H](C(=O)OCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000121790078 1293389692 /nfs/dbraw/zinc/38/96/92/1293389692.db2.gz LVPDBVVYDHRQSS-KRWDZBQOSA-N 1 0 328.368 3.331 20 5 EGBDRO C[N@@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)CC1CCOCC1 ZINC000123016772 1293431744 /nfs/dbraw/zinc/43/17/44/1293431744.db2.gz UTPIPOWLRWAZGR-UHFFFAOYSA-N 1 0 343.221 3.216 20 5 EGBDRO CC[C@@H](C)[NH+]1CCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000836201926 1293458503 /nfs/dbraw/zinc/45/85/03/1293458503.db2.gz HHLIQOYGFOAYLK-LLVKDONJSA-N 1 0 340.811 3.196 20 5 EGBDRO CC[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(OC)cc1 ZINC000136820078 1293821625 /nfs/dbraw/zinc/82/16/25/1293821625.db2.gz LCKVUAZZXIMXLY-ROUUACIJSA-N 1 0 330.384 3.378 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CC[C@H](Cc3ccc(F)cc3)C2)c1 ZINC000154338649 1294051068 /nfs/dbraw/zinc/05/10/68/1294051068.db2.gz XSCIMGQPAUHBTB-BEFAXECRSA-N 1 0 344.386 3.332 20 5 EGBDRO Cc1cc(F)cc(C(=O)N2CC[NH+](C3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000154677773 1294066229 /nfs/dbraw/zinc/06/62/29/1294066229.db2.gz CFPAQIIVXMQVKU-UHFFFAOYSA-N 1 0 349.406 3.133 20 5 EGBDRO C[NH+](C)CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)C(C)(C)C ZINC000157900283 1294191139 /nfs/dbraw/zinc/19/11/39/1294191139.db2.gz PROPDASTTKNDHT-CQSZACIVSA-N 1 0 341.839 3.344 20 5 EGBDRO CCOc1ccc(NC(=O)CN2CCC3(CCCC3)C2)c([N+](=O)[O-])c1 ZINC000173824955 1294471795 /nfs/dbraw/zinc/47/17/95/1294471795.db2.gz ZVNNBQHFTSFRCT-UHFFFAOYSA-N 1 0 347.415 3.198 20 5 EGBDRO C[C@@](O)(C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccco1 ZINC000174528735 1294506621 /nfs/dbraw/zinc/50/66/21/1294506621.db2.gz VXGDIYZGPKREEK-GOSISDBHSA-N 1 0 342.351 3.445 20 5 EGBDRO Cc1cc(F)cc(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000176165349 1294592943 /nfs/dbraw/zinc/59/29/43/1294592943.db2.gz RFMJORZXFMTSIQ-INIZCTEOSA-N 1 0 345.374 3.075 20 5 EGBDRO O=[N+]([O-])c1ccc2cnn(C[N@@H+]3CCS[C@H]4CCCC[C@H]43)c2c1 ZINC000245917339 1296331294 /nfs/dbraw/zinc/33/12/94/1296331294.db2.gz YRZSZQSDAPPAHL-ZBFHGGJFSA-N 1 0 332.429 3.262 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CC3CC3)CC2)c2ncccc12 ZINC000261779487 1296603731 /nfs/dbraw/zinc/60/37/31/1296603731.db2.gz XUSKKDUEEFCSCX-UHFFFAOYSA-N 1 0 326.400 3.111 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCNc1ncccn1 ZINC000872042592 1296692449 /nfs/dbraw/zinc/69/24/49/1296692449.db2.gz QDDXYVXIOKJHEX-LBPRGKRZSA-N 1 0 347.444 3.260 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)CNC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000310056290 1297085303 /nfs/dbraw/zinc/08/53/03/1297085303.db2.gz KMZNSIQUKDPWIC-QWHCGFSZSA-N 1 0 337.420 3.467 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCc1ccccc1C[NH+](C)C ZINC000873831277 1297700126 /nfs/dbraw/zinc/70/01/26/1297700126.db2.gz AHOZWLRMTNHLBM-UHFFFAOYSA-N 1 0 341.411 3.203 20 5 EGBDRO CCC1(C)CC[NH+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000725778427 1298358586 /nfs/dbraw/zinc/35/85/86/1298358586.db2.gz RKWWBNZXUYYDKS-UHFFFAOYSA-N 1 0 329.404 3.323 20 5 EGBDRO C[NH+](C)CCN(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000746278668 1298562757 /nfs/dbraw/zinc/56/27/57/1298562757.db2.gz QMRWDGQFYLQCFV-JLHYYAGUSA-N 1 0 339.395 3.203 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000876531542 1298807787 /nfs/dbraw/zinc/80/77/87/1298807787.db2.gz JEEIKTAKFXCNDM-UHFFFAOYSA-N 1 0 325.368 3.110 20 5 EGBDRO Cc1nc(C2CC[NH2+]CC2)sc1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000876545189 1298815504 /nfs/dbraw/zinc/81/55/04/1298815504.db2.gz HVVIADQYVCMZGS-UHFFFAOYSA-N 1 0 346.412 3.079 20 5 EGBDRO C[N@H+](CC1CC1)C[C@H]1CCN(c2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000749320864 1299192062 /nfs/dbraw/zinc/19/20/62/1299192062.db2.gz BLMXNBTWVXXNDD-GFCCVEGCSA-N 1 0 325.359 3.041 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCCO[C@@H](c3ccccc3)C2)c1 ZINC000749681863 1299254302 /nfs/dbraw/zinc/25/43/02/1299254302.db2.gz BHSQKSAUNZOSLF-RBUKOAKNSA-N 1 0 342.395 3.092 20 5 EGBDRO CC(C)(C)[N@@H+]1CCCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000749934042 1299302367 /nfs/dbraw/zinc/30/23/67/1299302367.db2.gz NPNBBXMIZWTHQN-UHFFFAOYSA-N 1 0 339.823 3.195 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCC[C@H](c2nccn2C)C1 ZINC000877481222 1299331937 /nfs/dbraw/zinc/33/19/37/1299331937.db2.gz ZBQYSODGADPNCB-HNNXBMFYSA-N 1 0 328.416 3.325 20 5 EGBDRO CCC1(CC)[C@H](OC)C[C@H]1[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750114304 1299339349 /nfs/dbraw/zinc/33/93/49/1299339349.db2.gz JBTAWRCYDGOXBT-GVDBMIGSSA-N 1 0 336.432 3.154 20 5 EGBDRO C[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)CC1(C)OCCO1 ZINC000877670498 1299467139 /nfs/dbraw/zinc/46/71/39/1299467139.db2.gz SKRNVFJZAGOBKL-LLVKDONJSA-N 1 0 328.796 3.127 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1nnc(C[N@@H+]2CCC[C@H]2C2CCC2)o1 ZINC000878047419 1299722847 /nfs/dbraw/zinc/72/28/47/1299722847.db2.gz FNQCXVIFMZAANM-AWEZNQCLSA-N 1 0 328.372 3.409 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)CC2(O)CCCCC2)cc1[N+](=O)[O-] ZINC000878370778 1299951889 /nfs/dbraw/zinc/95/18/89/1299951889.db2.gz AVFHYFFMVUEJRS-HOCLYGCPSA-N 1 0 336.432 3.000 20 5 EGBDRO C[NH+](C)CCN(Cc1ccccc1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000759697252 1301144189 /nfs/dbraw/zinc/14/41/89/1301144189.db2.gz PTTUSXWOCGAZIM-UHFFFAOYSA-N 1 0 344.371 3.071 20 5 EGBDRO COC(=O)CC[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)CC(C)C ZINC000761259531 1301430783 /nfs/dbraw/zinc/43/07/83/1301430783.db2.gz JHYIHLXGTDRCAN-UHFFFAOYSA-N 1 0 328.796 3.269 20 5 EGBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2ccnc(F)c2[N+](=O)[O-])C1 ZINC000881837047 1301737012 /nfs/dbraw/zinc/73/70/12/1301737012.db2.gz NGXPIPWTYWBPOQ-TZMCWYRMSA-N 1 0 330.363 3.376 20 5 EGBDRO O=[N+]([O-])c1c(F)nccc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000881914667 1301756165 /nfs/dbraw/zinc/75/61/65/1301756165.db2.gz AJUIUTHRSFEDJH-AWEZNQCLSA-N 1 0 336.411 3.221 20 5 EGBDRO Cc1cc(NCCC[N@@H+]2CCCO[C@H](C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000763048408 1301811273 /nfs/dbraw/zinc/81/12/73/1301811273.db2.gz HLYYRFJJCAWRAS-CYBMUJFWSA-N 1 0 341.839 3.469 20 5 EGBDRO CC[C@@H]([NH2+]C[C@@H](O)COc1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000765286839 1302237771 /nfs/dbraw/zinc/23/77/71/1302237771.db2.gz GPEBXEKPXJDOEP-SJLPKXTDSA-N 1 0 348.374 3.215 20 5 EGBDRO COc1ccc(C)cc1[C@H](C)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000765848176 1302338651 /nfs/dbraw/zinc/33/86/51/1302338651.db2.gz GZABNFGQCYPZIB-SUMWQHHRSA-N 1 0 330.384 3.296 20 5 EGBDRO COc1ccc(CC[C@@H](C)[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000765845616 1302339228 /nfs/dbraw/zinc/33/92/28/1302339228.db2.gz RHHCODKKFPZIJN-AUUYWEPGSA-N 1 0 344.411 3.248 20 5 EGBDRO NC(C[NH+]1CCCCCC1)=NOCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000768517785 1302921457 /nfs/dbraw/zinc/92/14/57/1302921457.db2.gz TZNLOKULFBFCPW-UHFFFAOYSA-N 1 0 340.811 3.123 20 5 EGBDRO COc1cccc(C[C@H]2CCC[N@@H+]2Cc2cccnc2[N+](=O)[O-])c1 ZINC000885960415 1303298390 /nfs/dbraw/zinc/29/83/90/1303298390.db2.gz KZMAHLJKTDNRCE-MRXNPFEDSA-N 1 0 327.384 3.206 20 5 EGBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(Cc2cccnc2[N+](=O)[O-])C1 ZINC000886010977 1303317597 /nfs/dbraw/zinc/31/75/97/1303317597.db2.gz TZTWIMZATHVHBE-HZPDHXFCSA-N 1 0 332.448 3.076 20 5 EGBDRO C[C@H]1CCN(Cc2cccnc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000886028421 1303324617 /nfs/dbraw/zinc/32/46/17/1303324617.db2.gz QRNSYKGRPFTNKX-INIZCTEOSA-N 1 0 340.427 3.086 20 5 EGBDRO O=[N+]([O-])c1ncccc1C[N@H+]1CCCC[C@H]1[C@@H](O)c1ccccc1 ZINC000886057822 1303340544 /nfs/dbraw/zinc/34/05/44/1303340544.db2.gz XYVQKGVILMPFDW-IRXDYDNUSA-N 1 0 327.384 3.078 20 5 EGBDRO O=[N+]([O-])c1ncccc1C[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000886111664 1303358620 /nfs/dbraw/zinc/35/86/20/1303358620.db2.gz GMCFSAPHDPVTAA-PBHICJAKSA-N 1 0 327.384 3.247 20 5 EGBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)OCC[NH+](CC)CC ZINC000772233042 1303506005 /nfs/dbraw/zinc/50/60/05/1303506005.db2.gz XYEAODLRGZSPMV-UHFFFAOYSA-N 1 0 326.418 3.205 20 5 EGBDRO CC(C)C[N@@H+]1CCC[C@H](CNc2nc3ccccn3c2[N+](=O)[O-])C1 ZINC000772904499 1303593472 /nfs/dbraw/zinc/59/34/72/1303593472.db2.gz PGSWCSRKAQMQIU-CQSZACIVSA-N 1 0 331.420 3.022 20 5 EGBDRO O=[N+]([O-])c1ccc2cnn(C[N@@H+]3CCC[C@@H](C[C@H]4CCOC4)C3)c2c1 ZINC000773262009 1303651279 /nfs/dbraw/zinc/65/12/79/1303651279.db2.gz NSQBDDLNXUILRK-LSDHHAIUSA-N 1 0 344.415 3.041 20 5 EGBDRO CS[C@H]1CN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)C[C@H]1[NH+](C)C ZINC000774535632 1303824244 /nfs/dbraw/zinc/82/42/44/1303824244.db2.gz CDLJOGQLMHVBOH-OLZOCXBDSA-N 1 0 349.378 3.095 20 5 EGBDRO CS[C@@H]1CN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)C[C@@H]1[NH+](C)C ZINC000774535633 1303824411 /nfs/dbraw/zinc/82/44/11/1303824411.db2.gz CDLJOGQLMHVBOH-QWHCGFSZSA-N 1 0 349.378 3.095 20 5 EGBDRO CC(C)(C)OC(=O)NCCC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000774834584 1303864779 /nfs/dbraw/zinc/86/47/79/1303864779.db2.gz XEHSGBCNXIIQHM-UHFFFAOYSA-N 1 0 349.431 3.474 20 5 EGBDRO CCO[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C12CCCCC2 ZINC000776157919 1304103763 /nfs/dbraw/zinc/10/37/63/1304103763.db2.gz ULNXCSLBOPBOOL-RCCFBDPRSA-N 1 0 348.443 3.346 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH+]2CCC(c3ccc(O)cc3)CC2)cc1 ZINC000776279889 1304127822 /nfs/dbraw/zinc/12/78/22/1304127822.db2.gz YNPIZVVHRNUJPL-LJQANCHMSA-N 1 0 342.395 3.213 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCC[C@H]2c2ccc(O)cc2)cc1 ZINC000776588984 1304175974 /nfs/dbraw/zinc/17/59/74/1304175974.db2.gz XZMMRWUTNYWQPJ-ROUUACIJSA-N 1 0 328.368 3.171 20 5 EGBDRO Cc1nc2c(s1)[C@@H]([N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1)CCC2 ZINC000776592379 1304177697 /nfs/dbraw/zinc/17/76/97/1304177697.db2.gz NDJVKMPJDYDQLO-HOTGVXAUSA-N 1 0 347.440 3.403 20 5 EGBDRO O=[N+]([O-])c1cnn(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3CCCC[C@@H]32)c1 ZINC000776770642 1304195953 /nfs/dbraw/zinc/19/59/53/1304195953.db2.gz BFABPYQXSVBBRL-KSZLIROESA-N 1 0 326.400 3.407 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)ON=C(N)C[NH+]1CCCCCC1 ZINC000778592138 1304471699 /nfs/dbraw/zinc/47/16/99/1304471699.db2.gz GKCKLEKZCWHHFE-AWEZNQCLSA-N 1 0 334.420 3.339 20 5 EGBDRO CCC[N@H+](Cn1cc([N+](=O)[O-])c(C)n1)[C@@H]1CCc2ccccc2C1 ZINC000779859859 1304615613 /nfs/dbraw/zinc/61/56/13/1304615613.db2.gz YUEMHJZQQCEWLY-QGZVFWFLSA-N 1 0 328.416 3.327 20 5 EGBDRO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000780386186 1304683712 /nfs/dbraw/zinc/68/37/12/1304683712.db2.gz VLLFUDRHXQFTQZ-MPKXVKKWSA-N 1 0 332.322 3.291 20 5 EGBDRO COc1ccccc1[C@@H](CO)NCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000782066836 1304911071 /nfs/dbraw/zinc/91/10/71/1304911071.db2.gz GYMDFKOUIKWEGK-CQSZACIVSA-N 1 0 336.775 3.080 20 5 EGBDRO NC(C[NH+]1CCCCCC1)=NOCc1ccc([N+](=O)[O-])cc1Cl ZINC000782327847 1304955328 /nfs/dbraw/zinc/95/53/28/1304955328.db2.gz TVJLADWKTDOCMA-UHFFFAOYSA-N 1 0 340.811 3.123 20 5 EGBDRO O=C(CC[NH+]1CCC(C(F)F)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000782512390 1304983020 /nfs/dbraw/zinc/98/30/20/1304983020.db2.gz LAZFZCCTNYRZIX-UHFFFAOYSA-N 1 0 345.321 3.040 20 5 EGBDRO Cn1cc(C[C@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])c(Cl)c3)C2)cn1 ZINC000783571863 1305109828 /nfs/dbraw/zinc/10/98/28/1305109828.db2.gz UKKAARCMECYZHV-CYBMUJFWSA-N 1 0 334.807 3.046 20 5 EGBDRO COC(=O)[C@H]1CCCC[C@]1(C)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783585666 1305112120 /nfs/dbraw/zinc/11/21/20/1305112120.db2.gz VIEGUWCTXANPNX-WBMJQRKESA-N 1 0 340.807 3.460 20 5 EGBDRO CC[C@@](C)([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000784264727 1305218012 /nfs/dbraw/zinc/21/80/12/1305218012.db2.gz DGPLHYHGBIBPCY-QFBILLFUSA-N 1 0 344.411 3.250 20 5 EGBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H](O)c2cc(F)cc(Cl)c2)cs1 ZINC000785610251 1305392382 /nfs/dbraw/zinc/39/23/82/1305392382.db2.gz PYFKJZRTJPJNLP-GFCCVEGCSA-N 1 0 330.768 3.272 20 5 EGBDRO COc1c(O)ccc(C[NH2+][C@@H]2CCC[C@@H](SC)C2)c1[N+](=O)[O-] ZINC000892951080 1305623587 /nfs/dbraw/zinc/62/35/87/1305623587.db2.gz RJFOAHFZVRNUIS-VXGBXAGGSA-N 1 0 326.418 3.073 20 5 EGBDRO O=C(OCc1c(F)cccc1[N+](=O)[O-])[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000786893486 1305650568 /nfs/dbraw/zinc/65/05/68/1305650568.db2.gz WLMCZFDVGFMWKO-INIZCTEOSA-N 1 0 336.363 3.184 20 5 EGBDRO CCOc1cccc(CC[NH2+]Cc2ccc(O)c(OC)c2[N+](=O)[O-])c1 ZINC000893208603 1305763339 /nfs/dbraw/zinc/76/33/39/1305763339.db2.gz JKEHGMKXCNGLGG-UHFFFAOYSA-N 1 0 346.383 3.040 20 5 EGBDRO C[C@H](C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)N1CCc2ccccc21 ZINC000788574421 1305973508 /nfs/dbraw/zinc/97/35/08/1305973508.db2.gz TUQGIAQWOHCMAY-ZIAGYGMSSA-N 1 0 340.427 3.279 20 5 EGBDRO CC(C)(C)OCCCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000789306109 1306137751 /nfs/dbraw/zinc/13/77/51/1306137751.db2.gz NKHXWZALHCPKGP-UHFFFAOYSA-N 1 0 335.448 3.312 20 5 EGBDRO CC1(C)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCS1 ZINC000789763132 1306212180 /nfs/dbraw/zinc/21/21/80/1306212180.db2.gz DQMHKQLFDCSCQC-UHFFFAOYSA-N 1 0 325.390 3.221 20 5 EGBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000791063783 1308919056 /nfs/dbraw/zinc/91/90/56/1308919056.db2.gz YCSJAVCVAAOJKL-CYBMUJFWSA-N 1 0 339.823 3.098 20 5 EGBDRO C[N@@H+]1CCCC[C@@H]1CCOC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000791120028 1308923782 /nfs/dbraw/zinc/92/37/82/1308923782.db2.gz VOGVNIFLZWTRFY-CYBMUJFWSA-N 1 0 338.429 3.105 20 5 EGBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)OCCC[NH+](C)C ZINC000792120724 1309124147 /nfs/dbraw/zinc/12/41/47/1309124147.db2.gz XLFFGRBDMICWNJ-UHFFFAOYSA-N 1 0 326.418 3.205 20 5 EGBDRO C[C@]12CC[N@H+](CCOc3ccc([N+](=O)[O-])cc3)C[C@H]1C2(Cl)Cl ZINC000792905742 1309257074 /nfs/dbraw/zinc/25/70/74/1309257074.db2.gz NILIEQFUOSNBEW-KGLIPLIRSA-N 1 0 345.226 3.489 20 5 EGBDRO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@@H+]1CCC[C@H]1C1CCCC1 ZINC000794620149 1309556804 /nfs/dbraw/zinc/55/68/04/1309556804.db2.gz IGQIFTDSJZEHEG-ZDUSSCGKSA-N 1 0 331.372 3.115 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)c1C ZINC000895855219 1309562379 /nfs/dbraw/zinc/56/23/79/1309562379.db2.gz PSBMEKNIDWMQPE-JSGCOSHPSA-N 1 0 333.432 3.062 20 5 EGBDRO C[C@H](C(=O)N1CCCC2(CC[NH+](C)CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000799030161 1310470131 /nfs/dbraw/zinc/47/01/31/1310470131.db2.gz VQYKINAPERPQFZ-HNNXBMFYSA-N 1 0 345.443 3.033 20 5 EGBDRO O=C(OCCC[NH+]1CCCC1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000800187438 1310695881 /nfs/dbraw/zinc/69/58/81/1310695881.db2.gz VMELYJZZXNAMLC-UHFFFAOYSA-N 1 0 346.305 3.256 20 5 EGBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H]2CCc3ccc(Cl)nc32)cc1 ZINC000857905688 1328620843 /nfs/dbraw/zinc/62/08/43/1328620843.db2.gz MTHNPHPWXJWCJT-CQSZACIVSA-N 1 0 333.775 3.299 20 5 EGBDRO CC(C)[C@H](C(=O)OCc1c(F)cc([N+](=O)[O-])cc1F)[NH+]1CCCC1 ZINC000803361748 1317113783 /nfs/dbraw/zinc/11/37/83/1317113783.db2.gz PFQXGSVDLJNNJQ-OAHLLOKOSA-N 1 0 342.342 3.037 20 5 EGBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2ccc(N)cc2[N+](=O)[O-])C1 ZINC000804372419 1317223844 /nfs/dbraw/zinc/22/38/44/1317223844.db2.gz LWZCRXUHNHYINE-BBRMVZONSA-N 1 0 326.400 3.424 20 5 EGBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)C1=CCCCCC1 ZINC001020102427 1317543949 /nfs/dbraw/zinc/54/39/49/1317543949.db2.gz UTQCZAKEXHHLLL-QAQDUYKDSA-N 1 0 343.427 3.222 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1ccc2c(c1)ncn2C ZINC000903203999 1317673345 /nfs/dbraw/zinc/67/33/45/1317673345.db2.gz ZTBBVVVGRMQEMM-GFCCVEGCSA-N 1 0 340.383 3.341 20 5 EGBDRO [NH3+]CCN(Cc1coc(-c2ccccc2)n1)c1ccc([N+](=O)[O-])cc1 ZINC000809734386 1317882577 /nfs/dbraw/zinc/88/25/77/1317882577.db2.gz CJQJIBCMCHLXNJ-UHFFFAOYSA-N 1 0 338.367 3.215 20 5 EGBDRO CCC[N@H+](CC)CCNC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000809918501 1317917841 /nfs/dbraw/zinc/91/78/41/1317917841.db2.gz ZVELMXXGVFMEHK-UHFFFAOYSA-N 1 0 328.800 3.102 20 5 EGBDRO O=C(O[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000810844542 1318063816 /nfs/dbraw/zinc/06/38/16/1318063816.db2.gz OGDPSVWCNLKJKG-GXTWGEPZSA-N 1 0 330.340 3.125 20 5 EGBDRO C[C@@H]1C[C@@H](Nc2cc(Br)ccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000811811898 1318271851 /nfs/dbraw/zinc/27/18/51/1318271851.db2.gz HWQUGPDZEGUUNJ-MWLCHTKSSA-N 1 0 340.221 3.394 20 5 EGBDRO CSC1(CNc2ccc([N+](=O)[O-])cc2C(C)=O)CC[NH+](C)CC1 ZINC000811853532 1318279527 /nfs/dbraw/zinc/27/95/27/1318279527.db2.gz DGIOGPKECSQTQC-UHFFFAOYSA-N 1 0 337.445 3.037 20 5 EGBDRO C[NH+]1CCC2(CCC(NC(=O)c3ccc([N+](=O)[O-])cc3F)CC2)CC1 ZINC000908499026 1318354825 /nfs/dbraw/zinc/35/48/25/1318354825.db2.gz JABZMLRXOOYDBD-UHFFFAOYSA-N 1 0 349.406 3.118 20 5 EGBDRO Cc1cc(C[NH+](C)C)ccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000909625904 1318505223 /nfs/dbraw/zinc/50/52/23/1318505223.db2.gz NLOZHNPNUNKZTN-UHFFFAOYSA-N 1 0 327.384 3.146 20 5 EGBDRO CCCC[N@H+](C)CCNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000813450067 1318567029 /nfs/dbraw/zinc/56/70/29/1318567029.db2.gz HYHDORKECZKBLE-UHFFFAOYSA-N 1 0 348.230 3.363 20 5 EGBDRO CC1(C)C(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccccc3[N+](=O)[O-])C2)C1(C)C ZINC001021943633 1318739944 /nfs/dbraw/zinc/73/99/44/1318739944.db2.gz AGVMACFTZICYGQ-OKILXGFUSA-N 1 0 345.443 3.014 20 5 EGBDRO Cc1cscc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001021946188 1318741215 /nfs/dbraw/zinc/74/12/15/1318741215.db2.gz IUABJBODXNZWKH-OKILXGFUSA-N 1 0 345.424 3.015 20 5 EGBDRO Cc1c(C(=O)N2CCCC[C@@H]2[C@@H](C)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000912816375 1318941533 /nfs/dbraw/zinc/94/15/33/1318941533.db2.gz YIZSNSMSXPYIIG-XJKSGUPXSA-N 1 0 333.432 3.096 20 5 EGBDRO C[C@@H]([NH2+][C@H](Cn1ccnc1)C(C)(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815562834 1319016272 /nfs/dbraw/zinc/01/62/72/1319016272.db2.gz NLPACURUUCZVPG-MLGOLLRUSA-N 1 0 331.420 3.139 20 5 EGBDRO COc1ccccc1OCCC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815574702 1319017259 /nfs/dbraw/zinc/01/72/59/1319017259.db2.gz AIQFQORMFPEFMM-ZDUSSCGKSA-N 1 0 345.399 3.305 20 5 EGBDRO C[C@@H]([NH2+]C[C@H]1CCOc2ccccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815578714 1319019446 /nfs/dbraw/zinc/01/94/46/1319019446.db2.gz UPUBQUYVLFMGCM-TZMCWYRMSA-N 1 0 327.384 3.394 20 5 EGBDRO COc1ccc([C@H]([NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)C2CC2)cn1 ZINC000858604942 1328807807 /nfs/dbraw/zinc/80/78/07/1328807807.db2.gz QMDJMGHVWPLSKY-ADLMAVQZSA-N 1 0 342.399 3.383 20 5 EGBDRO CCCCCC[N@H+](C)CC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000817038240 1319263210 /nfs/dbraw/zinc/26/32/10/1319263210.db2.gz CGXKLGBSIHPYEJ-UHFFFAOYSA-N 1 0 335.448 3.458 20 5 EGBDRO C[C@@H](NC(=O)NC1CC[NH+](C(C)(C)C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000914275806 1319285386 /nfs/dbraw/zinc/28/53/86/1319285386.db2.gz VKNPWTLGRQLIGO-CYBMUJFWSA-N 1 0 348.447 3.218 20 5 EGBDRO C[C@H]([NH2+][C@@H]1CCCc2cc(N)ccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817968746 1319481480 /nfs/dbraw/zinc/48/14/80/1319481480.db2.gz WZXXQVFEGURBCF-APPDUMDISA-N 1 0 326.400 3.487 20 5 EGBDRO CC(C)[C@H](C[NH+](C)C)NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000915625564 1319509699 /nfs/dbraw/zinc/50/96/99/1319509699.db2.gz TXIGQIPDBFJXMJ-HNNXBMFYSA-N 1 0 335.448 3.208 20 5 EGBDRO CC[C@H](C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)Oc1ccccc1F ZINC000819135727 1319644580 /nfs/dbraw/zinc/64/45/80/1319644580.db2.gz ZADDQKJVFFQDQM-WBVHZDCISA-N 1 0 348.374 3.215 20 5 EGBDRO CC(C)[C@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1cccnc1 ZINC000819139356 1319645871 /nfs/dbraw/zinc/64/58/71/1319645871.db2.gz CTWWEVPBVNQXDK-ROUUACIJSA-N 1 0 329.400 3.053 20 5 EGBDRO CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819204399 1319666995 /nfs/dbraw/zinc/66/69/95/1319666995.db2.gz SOBMBLDIDAELNZ-IGNZVWTISA-N 1 0 348.374 3.133 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2CCCc3ccc(F)cc32)c1 ZINC000819277135 1319686407 /nfs/dbraw/zinc/68/64/07/1319686407.db2.gz AVBMRXDDGZGLAI-ZWKOTPCHSA-N 1 0 330.359 3.435 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@@H]2CCCCC(F)(F)C2)cc1 ZINC000819325480 1319697261 /nfs/dbraw/zinc/69/72/61/1319697261.db2.gz FCJFNEGUTBAOHF-IUODEOHRSA-N 1 0 328.359 3.433 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@H]2CCCCC(F)(F)C2)c1 ZINC000819326164 1319699225 /nfs/dbraw/zinc/69/92/25/1319699225.db2.gz OECDUZPGENUQRB-IUODEOHRSA-N 1 0 328.359 3.433 20 5 EGBDRO CCC(C)(C)[NH+]1CCN(C(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000824292123 1320245429 /nfs/dbraw/zinc/24/54/29/1320245429.db2.gz LUQBHIIPIVAFOX-IRXDYDNUSA-N 1 0 345.443 3.031 20 5 EGBDRO CO[C@@H]1COCC[C@@H]1C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000824708746 1320279359 /nfs/dbraw/zinc/27/93/59/1320279359.db2.gz IUFSPOGCGPZXTB-NOZJJQNGSA-N 1 0 349.214 3.043 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000824776929 1320285150 /nfs/dbraw/zinc/28/51/50/1320285150.db2.gz BHBABMKICWCNRE-MRXNPFEDSA-N 1 0 345.443 3.063 20 5 EGBDRO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000825039951 1320305738 /nfs/dbraw/zinc/30/57/38/1320305738.db2.gz CQSVWZVIVICTQN-OCCSQVGLSA-N 1 0 326.780 3.070 20 5 EGBDRO C[C@H](CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[NH+]1CCC(C)CC1 ZINC000825595844 1320348567 /nfs/dbraw/zinc/34/85/67/1320348567.db2.gz TYZLPBFFKSEPMU-GFCCVEGCSA-N 1 0 339.823 3.098 20 5 EGBDRO CC[NH+](CC)CCOC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000838383164 1320768982 /nfs/dbraw/zinc/76/89/82/1320768982.db2.gz JJXDSOKFFBZHDH-UHFFFAOYSA-N 1 0 343.383 3.155 20 5 EGBDRO C[C@@H](Cc1cccc(F)c1)[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000839195954 1320892780 /nfs/dbraw/zinc/89/27/80/1320892780.db2.gz PVTFGADVLVPOPS-SCLBCKFNSA-N 1 0 332.375 3.330 20 5 EGBDRO CC[NH+]1CCN(c2ccc(Nc3ncc([N+](=O)[O-])cc3F)cc2)CC1 ZINC000840238677 1321057207 /nfs/dbraw/zinc/05/72/07/1321057207.db2.gz HKTVYSFKULXFTA-UHFFFAOYSA-N 1 0 345.378 3.014 20 5 EGBDRO O=[N+]([O-])c1ccc(CNC[C@@H]2[NH2+]CCc3ccccc32)cc1Cl ZINC000841069296 1321212828 /nfs/dbraw/zinc/21/28/28/1321212828.db2.gz SHBGSTJXUSMLIH-INIZCTEOSA-N 1 0 331.803 3.225 20 5 EGBDRO O=[N+]([O-])c1ccc(Cl)cc1CNC[C@@H]1[NH2+]CCc2ccccc21 ZINC000841069089 1321212972 /nfs/dbraw/zinc/21/29/72/1321212972.db2.gz NHJPXGSYMUVLHD-INIZCTEOSA-N 1 0 331.803 3.225 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCc1ccc(CC[NH3+])cc1 ZINC000841209986 1321234644 /nfs/dbraw/zinc/23/46/44/1321234644.db2.gz BIWXAEFYSVNKMJ-UHFFFAOYSA-N 1 0 342.399 3.035 20 5 EGBDRO C[NH2+]CCC1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000841233309 1321237297 /nfs/dbraw/zinc/23/72/97/1321237297.db2.gz QKMMEBCBTVFUCD-UHFFFAOYSA-N 1 0 340.811 3.102 20 5 EGBDRO CC(C)[N@@H+]1CCC[C@H](COC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000842834171 1321438939 /nfs/dbraw/zinc/43/89/39/1321438939.db2.gz RGOQPYIOSOEWCO-CABCVRRESA-N 1 0 334.416 3.362 20 5 EGBDRO CC(C)[C@@H]([NH3+])c1noc(-c2cc([N+](=O)[O-])ccc2N2CCCCC2)n1 ZINC000843154321 1321480084 /nfs/dbraw/zinc/48/00/84/1321480084.db2.gz OYNNZMAJQMHVJQ-OAHLLOKOSA-N 1 0 345.403 3.291 20 5 EGBDRO CC(C)[C@H]([NH3+])c1noc(-c2cc([N+](=O)[O-])ccc2N2CCCCC2)n1 ZINC000843154318 1321480341 /nfs/dbraw/zinc/48/03/41/1321480341.db2.gz OYNNZMAJQMHVJQ-HNNXBMFYSA-N 1 0 345.403 3.291 20 5 EGBDRO C[NH2+][C@H](CC(C)(C)C)c1nc(Cc2ccc([N+](=O)[O-])c(OC)c2)no1 ZINC000843192194 1321484499 /nfs/dbraw/zinc/48/44/99/1321484499.db2.gz SXFCWLWVIZJQJX-GFCCVEGCSA-N 1 0 348.403 3.274 20 5 EGBDRO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C[C@]1(O)CCc2ccccc21 ZINC000843421504 1321516339 /nfs/dbraw/zinc/51/63/39/1321516339.db2.gz QNEAKNQGFXLRJL-AQDCRGGLSA-N 1 0 338.407 3.374 20 5 EGBDRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000843783874 1321547452 /nfs/dbraw/zinc/54/74/52/1321547452.db2.gz BNULFCAKNNGTPJ-UHFFFAOYSA-N 1 0 345.374 3.068 20 5 EGBDRO C[C@H]([NH2+][C@H]1CCC1(C)C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000846961470 1321828295 /nfs/dbraw/zinc/82/82/95/1321828295.db2.gz SKTRBDJZWLNJQA-ZANVPECISA-N 1 0 325.796 3.353 20 5 EGBDRO C[C@@H](COC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH+]1CCCCC1 ZINC000847963854 1321917747 /nfs/dbraw/zinc/91/77/47/1321917747.db2.gz UTPKLZMBHQBGOH-ZDUSSCGKSA-N 1 0 345.399 3.036 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H](O)c1ccccc1F ZINC000850426563 1322246003 /nfs/dbraw/zinc/24/60/03/1322246003.db2.gz WMQQITWSNYJTFH-BZNIZROVSA-N 1 0 334.347 3.127 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H]1CSCCS1 ZINC000850439256 1322249820 /nfs/dbraw/zinc/24/98/20/1322249820.db2.gz GSZFCFZTAQNFDG-JQWIXIFHSA-N 1 0 328.459 3.103 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](C)C[C@H](O)c1ccco1 ZINC000850443450 1322250230 /nfs/dbraw/zinc/25/02/30/1322250230.db2.gz SFZROOMXNPYBEZ-XUJVJEKNSA-N 1 0 334.372 3.359 20 5 EGBDRO C[C@@H]([NH2+]C[C@@H](O)c1cc(F)c(F)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000850581495 1322272632 /nfs/dbraw/zinc/27/26/32/1322272632.db2.gz FSGXVLSEWGJIMN-RFAUZJTJSA-N 1 0 340.301 3.396 20 5 EGBDRO Cc1ccc2c(c1)CN(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CC2 ZINC000852404218 1323187520 /nfs/dbraw/zinc/18/75/20/1323187520.db2.gz LIUMRODMWYGKAU-UHFFFAOYSA-N 1 0 327.340 3.370 20 5 EGBDRO C[NH+](C)CCOC1CCN(c2ccc(C(F)F)cc2[N+](=O)[O-])CC1 ZINC000853321110 1325080954 /nfs/dbraw/zinc/08/09/54/1325080954.db2.gz DZPDFHGJROFKOS-UHFFFAOYSA-N 1 0 343.374 3.079 20 5 EGBDRO C[C@H]1CCC[C@H]([N@H+](C)Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)C1 ZINC000853489121 1325102302 /nfs/dbraw/zinc/10/23/02/1325102302.db2.gz GSEHAUJSHWIQGW-KBPBESRZSA-N 1 0 329.404 3.321 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(N2CCC([NH2+]Cc3ccccc3)CC2)n1 ZINC000853656982 1325142062 /nfs/dbraw/zinc/14/20/62/1325142062.db2.gz IQXHPUDGMOBQLU-UHFFFAOYSA-N 1 0 326.400 3.057 20 5 EGBDRO COCC(C)(C)[NH+]1CCN(c2ccc(C(F)F)cc2[N+](=O)[O-])CC1 ZINC000853700789 1325150161 /nfs/dbraw/zinc/15/01/61/1325150161.db2.gz VESCOXRJOZILQZ-UHFFFAOYSA-N 1 0 343.374 3.079 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]CCO[C@H]2CCOC2)c2ccccc2)c1 ZINC000927080954 1327851221 /nfs/dbraw/zinc/85/12/21/1327851221.db2.gz NXJNCRNKMXRNET-RBUKOAKNSA-N 1 0 342.395 3.079 20 5 EGBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000861410510 1329416769 /nfs/dbraw/zinc/41/67/69/1329416769.db2.gz XTPODOHGUJLRKN-CYBMUJFWSA-N 1 0 339.823 3.098 20 5 EGBDRO Cc1ccc(NC(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc1[N+](=O)[O-] ZINC000929118859 1328510293 /nfs/dbraw/zinc/51/02/93/1328510293.db2.gz UXULOYRDRJCHGK-HNNXBMFYSA-N 1 0 346.431 3.099 20 5 EGBDRO C[C@@H]([NH2+]CC(=O)N1CCC[C@@H]2CCCC[C@@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000932182237 1329791586 /nfs/dbraw/zinc/79/15/86/1329791586.db2.gz KCLCNYCBDMSYNZ-HFTRVMKXSA-N 1 0 345.443 3.427 20 5 EGBDRO C[C@@H](COCC1CCCCC1)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000932420624 1329813322 /nfs/dbraw/zinc/81/33/22/1329813322.db2.gz CMHKMSKTUMADJV-KSSFIOAISA-N 1 0 336.432 3.203 20 5 EGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000866258871 1330086553 /nfs/dbraw/zinc/08/65/53/1330086553.db2.gz CCWDTYDVZHMANF-LBPRGKRZSA-N 1 0 347.346 3.405 20 5 EGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@](C)(O)c1cccs1 ZINC000866270490 1330088475 /nfs/dbraw/zinc/08/84/75/1330088475.db2.gz PIFDLMBODHDKCN-BZNIZROVSA-N 1 0 338.404 3.224 20 5 EGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H](C)[C@@H](O)c1ccccc1 ZINC000866358629 1330102026 /nfs/dbraw/zinc/10/20/26/1330102026.db2.gz KOLIOWPMWNWYJI-SNUQEOBHSA-N 1 0 332.375 3.377 20 5 EGBDRO C[C@H](C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)CC1(C)OCCO1 ZINC000866425230 1330110149 /nfs/dbraw/zinc/11/01/49/1330110149.db2.gz KIVXYBFTKPRUOA-SUMWQHHRSA-N 1 0 334.416 3.351 20 5 EGBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1SC ZINC000936061432 1330111132 /nfs/dbraw/zinc/11/11/32/1330111132.db2.gz ZVNFBDFDSBQLEG-LBPRGKRZSA-N 1 0 339.461 3.167 20 5 EGBDRO CCCC(=O)N1CCC2(CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC001035149074 1342960990 /nfs/dbraw/zinc/96/09/90/1342960990.db2.gz XUUSMTOTJNOFJN-UHFFFAOYSA-N 1 0 345.443 3.209 20 5 EGBDRO Cc1cc(O[C@H]2CC[NH2+]CC[C@H]2F)c([N+](=O)[O-])cc1Br ZINC001218015758 1373538044 /nfs/dbraw/zinc/53/80/44/1373538044.db2.gz MYRSFXWXONDPRV-PWSUYJOCSA-N 1 0 347.184 3.135 20 5 EGBDRO C[C@H]1CC[NH2+]CC[C@H]1Oc1cc(Br)cc([N+](=O)[O-])c1 ZINC001218029053 1373542554 /nfs/dbraw/zinc/54/25/54/1373542554.db2.gz JJTGFEIPBWCSHH-TVQRCGJNSA-N 1 0 329.194 3.124 20 5 EGBDRO Cc1cc(Br)cc([N+](=O)[O-])c1O[C@@H]1CC[C@H]2C[NH2+]C[C@@H]21 ZINC001218466116 1373619654 /nfs/dbraw/zinc/61/96/54/1373619654.db2.gz LHANKJGBXJWLDK-XHVZSJERSA-N 1 0 341.205 3.043 20 5 EGBDRO C[NH+](C)CCOc1cc(F)ccc1Nc1cc(O)cc([N+](=O)[O-])c1 ZINC001201230069 1369500014 /nfs/dbraw/zinc/50/00/14/1369500014.db2.gz WSFDAYXBTRDBAX-UHFFFAOYSA-N 1 0 335.335 3.124 20 5 EGBDRO CC(C)(C)c1ccc(C(=O)NCc2ccccc2C[NH3+])cc1[N+](=O)[O-] ZINC001325855304 1388056285 /nfs/dbraw/zinc/05/62/85/1388056285.db2.gz GHMZUINUFWWJHH-UHFFFAOYSA-N 1 0 341.411 3.281 20 5 EGBDRO CCCCC(=O)N1CCC(C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001204516647 1370500079 /nfs/dbraw/zinc/50/00/79/1370500079.db2.gz DYBMOQMBRYQSNA-UHFFFAOYSA-N 1 0 333.432 3.113 20 5 EGBDRO N[C@@]1(c2nc(-c3cc4ccccc4c4ccccc34)no2)CC[NH2+]C1 ZINC001204880369 1370595938 /nfs/dbraw/zinc/59/59/38/1370595938.db2.gz HLZOYDOBHQYGLU-FQEVSTJZSA-N 1 0 330.391 3.190 20 5 EGBDRO CC(C)c1ccc(C(=O)N[C@H]2CCCC[C@H]2[NH+](C)C)cc1[N+](=O)[O-] ZINC001116708577 1370960450 /nfs/dbraw/zinc/96/04/50/1370960450.db2.gz CRRYCPCJIUISNJ-JKSUJKDBSA-N 1 0 333.432 3.321 20 5 EGBDRO Cc1n[nH]c(=O)c(C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)c1C ZINC001117965948 1371114313 /nfs/dbraw/zinc/11/43/13/1371114313.db2.gz KOERTUJVGROQON-QGZVFWFLSA-N 1 0 342.399 3.265 20 5 EGBDRO CC(C)CC(=O)NC1CC2(C1)CC([NH2+]Cc1cccc([N+](=O)[O-])c1)C2 ZINC001120540125 1371603118 /nfs/dbraw/zinc/60/31/18/1371603118.db2.gz OXPRCCJCDUHUQN-UHFFFAOYSA-N 1 0 345.443 3.158 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)cnc1NC1CCN(c2cc[nH+]cc2)CC1 ZINC001121014034 1371834681 /nfs/dbraw/zinc/83/46/81/1371834681.db2.gz BVYBTTJMBGXKFP-UHFFFAOYSA-N 1 0 333.779 3.119 20 5 EGBDRO Cc1ccccc1Cc1nnc(C[C@@H]([NH3+])c2cccc([N+](=O)[O-])c2)o1 ZINC001217732451 1373496321 /nfs/dbraw/zinc/49/63/21/1373496321.db2.gz AQFHMRGVOXTLDM-MRXNPFEDSA-N 1 0 338.367 3.120 20 5 EGBDRO O=[N+]([O-])c1cc([N+](=O)[O-])c(O[C@@H]2CCC[NH2+]C[C@@H]2F)c2ccccc21 ZINC001217953663 1373518420 /nfs/dbraw/zinc/51/84/20/1373518420.db2.gz YXTZWOPUKPNOQW-SWLSCSKDSA-N 1 0 349.318 3.125 20 5 EGBDRO Cc1cc(O[C@@H]2C[NH2+]CCC[C@H]2F)c([N+](=O)[O-])cc1Br ZINC001217981594 1373524960 /nfs/dbraw/zinc/52/49/60/1373524960.db2.gz QXNLREHRONXDRZ-ZWNOBZJWSA-N 1 0 347.184 3.135 20 5 EGBDRO C[C@H]1C[NH2+]CCC[C@@H]1Oc1ccc2c(c1)oc1cc(O)ccc1c2=O ZINC001217986576 1373527167 /nfs/dbraw/zinc/52/71/67/1373527167.db2.gz GBRVJPIMIYRVOD-SJCJKPOMSA-N 1 0 339.391 3.419 20 5 EGBDRO C[C@@H]1C[NH2+]CCC[C@@H]1Oc1c(Br)cc(F)cc1[N+](=O)[O-] ZINC001217995781 1373530432 /nfs/dbraw/zinc/53/04/32/1373530432.db2.gz YWRNZCNVXJSKOE-PELKAZGASA-N 1 0 347.184 3.263 20 5 EGBDRO C[C@H](Oc1c2ccccc2c([N+](=O)[O-])cc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC001218005243 1373533763 /nfs/dbraw/zinc/53/37/63/1373533763.db2.gz IVFKSHHBBFYJEJ-NSHDSACASA-N 1 0 345.355 3.423 20 5 EGBDRO C[C@@H]1CC[NH2+]CC[C@H]1Oc1ccc(OC(F)(F)F)cc1[N+](=O)[O-] ZINC001218022486 1373540405 /nfs/dbraw/zinc/54/04/05/1373540405.db2.gz FAHUDMZNHRGMRO-BXKDBHETSA-N 1 0 334.294 3.260 20 5 EGBDRO C[C@@H]1CC[NH2+]CC[C@@H]1Oc1ccc(Br)c([N+](=O)[O-])c1 ZINC001218025440 1373541334 /nfs/dbraw/zinc/54/13/34/1373541334.db2.gz FHSNZGGBFICURR-RNCFNFMXSA-N 1 0 329.194 3.124 20 5 EGBDRO C[C@@H]1CC[NH2+]CC[C@H]1Oc1c(Br)c(F)ccc1[N+](=O)[O-] ZINC001218028116 1373542075 /nfs/dbraw/zinc/54/20/75/1373542075.db2.gz CTBYJNYSEZPAMB-LDYMZIIASA-N 1 0 347.184 3.263 20 5 EGBDRO Cc1c(Cl)cc([N+](=O)[O-])c(O[C@@H]2CC[NH2+]C2)c1Br ZINC001218038595 1373545047 /nfs/dbraw/zinc/54/50/47/1373545047.db2.gz NLNGXDVMQHHOQG-SSDOTTSWSA-N 1 0 335.585 3.060 20 5 EGBDRO Cc1cc(O[C@@H]2CC[NH2+][C@H](C)C2)c([N+](=O)[O-])cc1Br ZINC001218054996 1373548731 /nfs/dbraw/zinc/54/87/31/1373548731.db2.gz GTBKLCIMJHOKRB-NXEZZACHSA-N 1 0 329.194 3.185 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCCCC2)cc1O[C@@H]1CCC[C@@]12CC[NH2+]C2 ZINC001218098735 1373560058 /nfs/dbraw/zinc/56/00/58/1373560058.db2.gz ZCEFOKJVOGYWTM-MOPGFXCFSA-N 1 0 345.443 3.496 20 5 EGBDRO CCc1c(Cl)cc([N+](=O)[O-])c(OCCO[C@H]2CC[NH2+]C2)c1Cl ZINC001218389546 1373604956 /nfs/dbraw/zinc/60/49/56/1373604956.db2.gz ZSKUCAJOJSPBPA-VIFPVBQESA-N 1 0 349.214 3.221 20 5 EGBDRO Cc1cc(Br)c(O[C@H]2CC[C@@H](C)[NH2+]C2)cc1[N+](=O)[O-] ZINC001218403964 1373608259 /nfs/dbraw/zinc/60/82/59/1373608259.db2.gz YNRSQRDNQNXHRH-ZJUUUORDSA-N 1 0 329.194 3.185 20 5 EGBDRO Cc1cc(Br)cc([N+](=O)[O-])c1O[C@H]1C[NH2+]CCC12CC2 ZINC001218403438 1373608307 /nfs/dbraw/zinc/60/83/07/1373608307.db2.gz IETFSBMNKOXRGR-LBPRGKRZSA-N 1 0 341.205 3.187 20 5 EGBDRO Cc1cc(Br)c(O[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]23)cc1[N+](=O)[O-] ZINC001218464675 1373619095 /nfs/dbraw/zinc/61/90/95/1373619095.db2.gz HSWSKNRPXCDGCR-GIPNMCIBSA-N 1 0 341.205 3.043 20 5 EGBDRO C[C@@H]1CC[NH2+]C[C@@H]1Oc1c([N+](=O)[O-])cc(C(C)(C)C)cc1[N+](=O)[O-] ZINC001218483828 1373623252 /nfs/dbraw/zinc/62/32/52/1373623252.db2.gz FZYFIPQGGROBRN-YGRLFVJLSA-N 1 0 337.376 3.177 20 5 EGBDRO CCCc1ccccc1C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001131118430 1373645459 /nfs/dbraw/zinc/64/54/59/1373645459.db2.gz DYBUIVMCMQHNBA-UHFFFAOYSA-N 1 0 341.411 3.067 20 5 EGBDRO O=[N+]([O-])c1cccc(O[C@H]2COCCN(Cc3ccccc3)C2)c1F ZINC001225795102 1375156863 /nfs/dbraw/zinc/15/68/63/1375156863.db2.gz COTCLZLHYLTUCB-OAHLLOKOSA-N 1 0 346.358 3.014 20 5 EGBDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2Oc1ncc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001225846996 1375164147 /nfs/dbraw/zinc/16/41/47/1375164147.db2.gz QPCFDPYGEXMSNH-DDFAGTSDSA-N 1 0 345.321 3.118 20 5 EGBDRO C[NH+](C)[C@H]1CC[C@H](Oc2ncc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC001225892630 1375169520 /nfs/dbraw/zinc/16/95/20/1375169520.db2.gz FQCHQXGIUVZHFE-HOMQSWHASA-N 1 0 333.310 3.260 20 5 EGBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(CC(=O)Nc2ccc(F)cc2)cc1 ZINC001226246778 1375226286 /nfs/dbraw/zinc/22/62/86/1375226286.db2.gz QFRSKVDZEMQVAF-HNNXBMFYSA-O 1 0 345.438 3.480 20 5 EGBDRO Cc1cc([N+](=O)[O-])cnc1O[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001226762221 1375327427 /nfs/dbraw/zinc/32/74/27/1375327427.db2.gz QXHJPYKUBBTIOH-KRWDZBQOSA-N 1 0 327.384 3.342 20 5 EGBDRO C[NH+]1CCC2(CC[C@@H](COc3cc([N+](=O)[O-])ccc3Cl)O2)CC1 ZINC001226807497 1375340609 /nfs/dbraw/zinc/34/06/09/1375340609.db2.gz PEOHSHZHVAYYQA-ZDUSSCGKSA-N 1 0 340.807 3.270 20 5 EGBDRO C[C@@H](C[N+](C)(C)C)Oc1cc(C(F)(F)F)nn1-c1ccccc1 ZINC001226914456 1375356582 /nfs/dbraw/zinc/35/65/82/1375356582.db2.gz ZDBVMYBEIZQUNP-LBPRGKRZSA-N 1 0 328.358 3.365 20 5 EGBDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC001227153695 1375398702 /nfs/dbraw/zinc/39/87/02/1375398702.db2.gz BAFRSOWKYFVLNE-RTUWITSCSA-N 1 0 328.771 3.496 20 5 EGBDRO CSc1ccc(C(=O)c2nc(O[C@@H](C)C[N+](C)(C)C)[nH]c2C)cc1 ZINC001230136527 1375949757 /nfs/dbraw/zinc/94/97/57/1375949757.db2.gz HFVJKKKOZRDZFJ-LBPRGKRZSA-O 1 0 348.492 3.145 20 5 EGBDRO Cc1noc([C@H]2CC[N@H+](Cc3ccc4ccc5cccnc5c4n3)C2)n1 ZINC001232226309 1376419389 /nfs/dbraw/zinc/41/93/89/1376419389.db2.gz UJAHNDGSVAWBNV-INIZCTEOSA-N 1 0 345.406 3.464 20 5 EGBDRO CCOC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3ccc4ccc5cccnc5c4n3)C[C@@H]21 ZINC001232226205 1376419952 /nfs/dbraw/zinc/41/99/52/1376419952.db2.gz SSSZHLIBAAOFHD-PIIMJCKOSA-N 1 0 347.418 3.024 20 5 EGBDRO CCCCCC(=O)N1CC2(C1)CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001147009641 1378955421 /nfs/dbraw/zinc/95/54/21/1378955421.db2.gz NLCNTRUIHALQSW-UHFFFAOYSA-N 1 0 345.443 3.209 20 5 EGBDRO O=C(CCC1CCCCC1)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001149786194 1379445756 /nfs/dbraw/zinc/44/57/56/1379445756.db2.gz OMZBKGMOAZCGQS-UHFFFAOYSA-N 1 0 339.461 3.223 20 5 EGBDRO CC(C)Oc1nc(-n2c3ccccc3nc2[C@@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC001155258836 1380429803 /nfs/dbraw/zinc/42/98/03/1380429803.db2.gz SKVWMSBFJCLDJS-LLVKDONJSA-N 1 0 341.371 3.136 20 5 EGBDRO O=C(NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1)C1CCCCCC1 ZINC001155572639 1380469936 /nfs/dbraw/zinc/46/99/36/1380469936.db2.gz IQFIYAJHAANIBZ-UHFFFAOYSA-N 1 0 333.432 3.161 20 5 EGBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)c2ccnc3c2ccc2cccnc23)C1 ZINC001155815520 1380494419 /nfs/dbraw/zinc/49/44/19/1380494419.db2.gz FVJLRYMXQNIJQJ-HNNXBMFYSA-N 1 0 348.450 3.245 20 5 EGBDRO CC[NH+]1CCC(N(C)C(=O)c2ccnc3c2ccc2cccnc23)CC1 ZINC001155812179 1380494448 /nfs/dbraw/zinc/49/44/48/1380494448.db2.gz UZTWXKBTZPNXLP-UHFFFAOYSA-N 1 0 348.450 3.339 20 5 EGBDRO Cc1c(C)n(-c2cc([N+](=O)[O-])c3cc[nH]c3n2)c2ccc(C[NH3+])cc12 ZINC001155901844 1380504074 /nfs/dbraw/zinc/50/40/74/1380504074.db2.gz HXXKEZLOTUAUGG-UHFFFAOYSA-N 1 0 335.367 3.491 20 5 EGBDRO O=[N+]([O-])c1ccc2ccc(N3CC[NH2+]C[C@@H]3c3cccs3)nc2c1 ZINC001156097538 1380525052 /nfs/dbraw/zinc/52/50/52/1380525052.db2.gz JMMWGDQFHVGGBH-OAHLLOKOSA-N 1 0 340.408 3.355 20 5 EGBDRO Cc1cc(Cl)nc(NCC2CC[NH+](C(C)C)CC2)c1[N+](=O)[O-] ZINC001156495780 1380583773 /nfs/dbraw/zinc/58/37/73/1380583773.db2.gz MRHYPOCOEUNFIV-UHFFFAOYSA-N 1 0 326.828 3.484 20 5 EGBDRO Cc1cc(Cl)nc(N2CCC3(CC2)CC[NH+](C)CC3)c1[N+](=O)[O-] ZINC001156576649 1380595916 /nfs/dbraw/zinc/59/59/16/1380595916.db2.gz SOJMQNHPDZCHEJ-UHFFFAOYSA-N 1 0 338.839 3.264 20 5 EGBDRO Cc1cc(Cl)nc(N2C(C)(C)CC([NH3+])CC2(C)C)c1[N+](=O)[O-] ZINC001156771599 1380631775 /nfs/dbraw/zinc/63/17/75/1380631775.db2.gz WCXCGNFRQCPMMZ-UHFFFAOYSA-N 1 0 326.828 3.436 20 5 EGBDRO CC(C)[N@H+](C)[C@H]1CCN(c2cc3ncnc(Cl)c3cc2[N+](=O)[O-])C1 ZINC001157009081 1380750477 /nfs/dbraw/zinc/75/04/77/1380750477.db2.gz DKWWXNPGSHSTJE-NSHDSACASA-N 1 0 349.822 3.110 20 5 EGBDRO Cc1ncn(-c2ccc3ccc4cccnc4c3n2)c1CSCC[NH3+] ZINC001157961842 1381082897 /nfs/dbraw/zinc/08/28/97/1381082897.db2.gz PHEUZXGNGAHUGX-UHFFFAOYSA-N 1 0 349.463 3.469 20 5 EGBDRO Cc1c[nH+]ccc1N1CCN(c2ncc([N+](=O)[O-])c3ccccc32)CC1 ZINC001158105240 1381129439 /nfs/dbraw/zinc/12/94/39/1381129439.db2.gz IJVCJAGJOBIEPR-UHFFFAOYSA-N 1 0 349.394 3.173 20 5 EGBDRO [NH3+][C@H]1CC[C@H](N(Cc2ccccc2F)c2cccc([N+](=O)[O-])n2)CC1 ZINC001158147209 1381141514 /nfs/dbraw/zinc/14/15/14/1381141514.db2.gz SCNQQWQYLVGNKV-SHTZXODSSA-N 1 0 344.390 3.405 20 5 EGBDRO CC1(C)C[C@H](Nc2ncnc3cc([N+](=O)[O-])ccc32)C[C@@](C)(C[NH3+])C1 ZINC001158264509 1381177399 /nfs/dbraw/zinc/17/73/99/1381177399.db2.gz CFRARVIDCRRQSJ-KPZWWZAWSA-N 1 0 343.431 3.494 20 5 EGBDRO CC1(C)C[C@H](Nc2ccc3[nH]cc([N+](=O)[O-])c3n2)C[C@](C)(C[NH3+])C1 ZINC001158267323 1381178609 /nfs/dbraw/zinc/17/86/09/1381178609.db2.gz WNLWBCWWIHVDPZ-GTNSWQLSSA-N 1 0 331.420 3.427 20 5 EGBDRO c1nc(CNc2ccc3ccc4cccnc4c3n2)c2n1CCC[NH2+]C2 ZINC001158356686 1381214681 /nfs/dbraw/zinc/21/46/81/1381214681.db2.gz YYAUDJWFDALZAX-UHFFFAOYSA-N 1 0 344.422 3.085 20 5 EGBDRO CC[N@@H+]1CCN(c2cc(C)c3cc([N+](=O)[O-])ccc3n2)C(C)(C)C1 ZINC001158562975 1381301154 /nfs/dbraw/zinc/30/11/54/1381301154.db2.gz PZGJOZKQONINNU-UHFFFAOYSA-N 1 0 328.416 3.372 20 5 EGBDRO O=[N+]([O-])c1ccc2nc(Cl)nc(NCC34CC[NH+](CC3)CC4)c2c1 ZINC001158824664 1381418415 /nfs/dbraw/zinc/41/84/15/1381418415.db2.gz VDLNEBQBNIRMAN-UHFFFAOYSA-N 1 0 347.806 3.089 20 5 EGBDRO Cc1cc(C)c(C(=O)NCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)s1 ZINC001158945373 1381478508 /nfs/dbraw/zinc/47/85/08/1381478508.db2.gz RYASKVQOXFJLOJ-UHFFFAOYSA-N 1 0 347.440 3.183 20 5 EGBDRO CC(C)=CC(=O)NCCC1=CC[N@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001159187500 1381724913 /nfs/dbraw/zinc/72/49/13/1381724913.db2.gz SEOVYKJRGHYUKS-UHFFFAOYSA-N 1 0 343.427 3.199 20 5 EGBDRO O=[N+]([O-])c1ccccc1Nc1ccc(N2CC[NH2+]CC2)c(Cl)c1 ZINC001159858455 1381922007 /nfs/dbraw/zinc/92/20/07/1381922007.db2.gz GMPCQCAQXFRLND-UHFFFAOYSA-N 1 0 332.791 3.401 20 5 EGBDRO [NH3+][C@@H]1CCCN(c2ccc(Nc3ccc(F)c([N+](=O)[O-])c3)cc2)C1 ZINC001159985963 1381959648 /nfs/dbraw/zinc/95/96/48/1381959648.db2.gz BOQFWVCVTSKGLU-GFCCVEGCSA-N 1 0 330.363 3.405 20 5 EGBDRO Cc1ccc2c(C[C@H](C)[NH3+])cn(-c3nc(Cl)ncc3[N+](=O)[O-])c2c1 ZINC001160004290 1381965209 /nfs/dbraw/zinc/96/52/09/1381965209.db2.gz NNLNXZAFDILHCC-JTQLQIEISA-N 1 0 345.790 3.180 20 5 EGBDRO COc1cnc(Nc2ccc(C[NH3+])cc2C(F)(F)F)c([N+](=O)[O-])c1 ZINC001160418963 1382098976 /nfs/dbraw/zinc/09/89/76/1382098976.db2.gz ICQYAKDFFPHZGL-UHFFFAOYSA-N 1 0 342.277 3.220 20 5 EGBDRO CCOc1nc(NC2CC[NH+](CC(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC001161208825 1382342796 /nfs/dbraw/zinc/34/27/96/1382342796.db2.gz NHBOBNKJYFSUHM-UHFFFAOYSA-N 1 0 336.436 3.311 20 5 EGBDRO [NH3+]C1(CC2CCC2)CCN(c2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC001161576966 1382444421 /nfs/dbraw/zinc/44/44/21/1382444421.db2.gz FEIUPXVNDYDVJL-UHFFFAOYSA-N 1 0 341.415 3.026 20 5 EGBDRO [NH3+]CCN(c1cccc2ccccc21)c1ncnc(Cl)c1[N+](=O)[O-] ZINC001161999901 1382594893 /nfs/dbraw/zinc/59/48/93/1382594893.db2.gz XHKRDYSQLWPTDJ-UHFFFAOYSA-N 1 0 343.774 3.288 20 5 EGBDRO COc1cc(N(CC[NH3+])c2cccc3ccccc32)cnc1[N+](=O)[O-] ZINC001162006550 1382597543 /nfs/dbraw/zinc/59/75/43/1382597543.db2.gz DGCDWNYQVTXKCX-UHFFFAOYSA-N 1 0 338.367 3.248 20 5 EGBDRO O=[N+]([O-])c1c(Cl)nc(Cl)nc1NC[C@]1(CC2CC2)CCC[NH2+]1 ZINC001162349763 1382737028 /nfs/dbraw/zinc/73/70/28/1382737028.db2.gz HYXLLUMLQBHQSB-CYBMUJFWSA-N 1 0 346.218 3.026 20 5 EGBDRO [NH3+]Cc1cccc(-c2cncn2-c2ccc3ccc([N+](=O)[O-])cc3n2)c1 ZINC001162562651 1382791221 /nfs/dbraw/zinc/79/12/21/1382791221.db2.gz FITDYMCHEQLQMG-UHFFFAOYSA-N 1 0 345.362 3.454 20 5 EGBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CC[NH2+]C[C@@H]2F)nc1-c1ccc(F)cc1 ZINC001162808859 1382879525 /nfs/dbraw/zinc/87/95/25/1382879525.db2.gz SIMJWMWHYATRKW-JSGCOSHPSA-N 1 0 348.353 3.155 20 5 EGBDRO c1ccc2c(c1)nc(NCc1nnc3n1CCC[NH2+]C3)c1ccccc21 ZINC001163028332 1382951203 /nfs/dbraw/zinc/95/12/03/1382951203.db2.gz ZVBQAPGBQHVTHY-UHFFFAOYSA-N 1 0 344.422 3.085 20 5 EGBDRO c1ccc2cc3c(cc2c1)ncnc3NCc1noc2c1C[NH2+]CC2 ZINC001163130214 1382972266 /nfs/dbraw/zinc/97/22/66/1382972266.db2.gz VBHPJNAHOVSJHI-UHFFFAOYSA-N 1 0 331.379 3.029 20 5 EGBDRO CC(C)(C)c1ccc(NC[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)c([N+](=O)[O-])c1 ZINC001163283571 1383012679 /nfs/dbraw/zinc/01/26/79/1383012679.db2.gz HLSHXSSUYYORRJ-IFXJQAMLSA-N 1 0 347.459 3.463 20 5 EGBDRO Cc1cc(Cl)nc(N[C@@H]2CC[N@@H+](C(C)C)C[C@H]2C)c1[N+](=O)[O-] ZINC001163361603 1383031149 /nfs/dbraw/zinc/03/11/49/1383031149.db2.gz JLZXNHRVTPWYCU-VXGBXAGGSA-N 1 0 326.828 3.482 20 5 EGBDRO CC(C)Oc1nc(N[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC001163368620 1383034081 /nfs/dbraw/zinc/03/40/81/1383034081.db2.gz AADAPORZSCPDHW-UONOGXRCSA-N 1 0 336.436 3.308 20 5 EGBDRO CCCCC(=O)NCCC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001163464689 1383057146 /nfs/dbraw/zinc/05/71/46/1383057146.db2.gz XHSZOMPTHLKNGE-UHFFFAOYSA-N 1 0 333.432 3.161 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@H]2CCCC[C@@]23C[NH2+]CCO3)c2ccccc21 ZINC001163650074 1383096243 /nfs/dbraw/zinc/09/62/43/1383096243.db2.gz JTHDJIDYVSDQOS-RBUKOAKNSA-N 1 0 341.411 3.461 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)ncc1NCc1cccnc1C1CC[NH2+]CC1 ZINC001163908306 1383134993 /nfs/dbraw/zinc/13/49/93/1383134993.db2.gz LWNSDESZZUOGFX-UHFFFAOYSA-N 1 0 347.806 3.117 20 5 EGBDRO CC(C)c1ccoc1C(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001164492230 1383193077 /nfs/dbraw/zinc/19/30/77/1383193077.db2.gz YGDWDPLHEDJQRE-UHFFFAOYSA-N 1 0 345.399 3.221 20 5 EGBDRO C[NH+]1CCC(C2CCN(c3ncc(Cl)cc3[N+](=O)[O-])CC2)CC1 ZINC001165066300 1383220792 /nfs/dbraw/zinc/22/07/92/1383220792.db2.gz YGUFJMFGFHQTQA-UHFFFAOYSA-N 1 0 338.839 3.201 20 5 EGBDRO C[NH+](C)C[C@]12C[C@H]1CN(c1nc3ccccc3c(Cl)c1[N+](=O)[O-])C2 ZINC001165185127 1383244225 /nfs/dbraw/zinc/24/42/25/1383244225.db2.gz UALJNMOAEFUUFT-GTNSWQLSSA-N 1 0 346.818 3.184 20 5 EGBDRO O=[N+]([O-])c1cc2nc(Cl)ccc2cc1N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001165242595 1383256667 /nfs/dbraw/zinc/25/66/67/1383256667.db2.gz IBPQXZWKRLSEPE-KRWDZBQOSA-N 1 0 346.818 3.376 20 5 EGBDRO C[N@@H+]1CCC[C@@H](CCNc2ccc(-c3cccc([N+](=O)[O-])c3)nn2)C1 ZINC001165273544 1383263927 /nfs/dbraw/zinc/26/39/27/1383263927.db2.gz SVVDTIAOUCMTMS-AWEZNQCLSA-N 1 0 341.415 3.196 20 5 EGBDRO CC(C)[NH+]1CCC(CNc2nc3c(cc2[N+](=O)[O-])CCCC3)CC1 ZINC001166604251 1383445035 /nfs/dbraw/zinc/44/50/35/1383445035.db2.gz WBZZONLHOPOURA-UHFFFAOYSA-N 1 0 332.448 3.401 20 5 EGBDRO O=[N+]([O-])c1cc(N2CC3(CC[NH2+]CC3)c3ccccc32)nc2[nH]ccc21 ZINC001167070988 1383532331 /nfs/dbraw/zinc/53/23/31/1383532331.db2.gz PAPVOXNQPVGIEX-UHFFFAOYSA-N 1 0 349.394 3.244 20 5 EGBDRO CCOC(=O)c1cc(NCCC[N@@H+]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC001167753353 1383731961 /nfs/dbraw/zinc/73/19/61/1383731961.db2.gz HHLYMFUNEXPPOL-CQSZACIVSA-N 1 0 349.431 3.448 20 5 EGBDRO Cc1c(N2C[C@@H](CC[NH3+])c3ccccc32)ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001168548208 1383934594 /nfs/dbraw/zinc/93/45/94/1383934594.db2.gz FMIICQHYYDLMMA-GFCCVEGCSA-N 1 0 342.355 3.396 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H](c2ccccc2)[C@H](O)c2ccccc2)C1 ZINC001168965032 1384072340 /nfs/dbraw/zinc/07/23/40/1384072340.db2.gz XKERKSDGZFXBHR-XFWGSAIBSA-N 1 0 340.423 3.496 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H]2CCc3ccc(Br)cc32)C1 ZINC001168963945 1384072974 /nfs/dbraw/zinc/07/29/74/1384072974.db2.gz QSJXYVFLOOUOBZ-YVLXSGLVSA-N 1 0 339.233 3.471 20 5 EGBDRO Cc1cc(C)n(-c2ccc(C[NH2+][C@@H]3CC[C@@H](C[N+](=O)[O-])C3)cc2)n1 ZINC001168971850 1384074306 /nfs/dbraw/zinc/07/43/06/1384074306.db2.gz LSYADYSCGROLIN-IAGOWNOFSA-N 1 0 328.416 3.024 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H](Cc2ccccc2)c2nccs2)C1 ZINC001168980267 1384077768 /nfs/dbraw/zinc/07/77/68/1384077768.db2.gz CNBJKXYLUFHXDE-PMPSAXMXSA-N 1 0 331.441 3.462 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2ccc(C3(C(F)(F)F)N=N3)cc2)C1 ZINC001168985663 1384079568 /nfs/dbraw/zinc/07/95/68/1384079568.db2.gz UTIRYCXRHMHEPE-WCQYABFASA-N 1 0 342.321 3.403 20 5 EGBDRO COc1ccc2cccc(CC[NH2+][C@H]3CC[C@@H](C[N+](=O)[O-])C3)c2c1 ZINC001168989816 1384079862 /nfs/dbraw/zinc/07/98/62/1384079862.db2.gz WVHQVQNBGZFXEC-PBHICJAKSA-N 1 0 328.412 3.426 20 5 EGBDRO CC(C)(C)OC(=O)c1ccc(CC[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001168989283 1384080279 /nfs/dbraw/zinc/08/02/79/1384080279.db2.gz VOVVBXCNKGTNKR-RDJZCZTQSA-N 1 0 348.443 3.219 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2cn(Cc3cccc(Cl)c3)cn2)C1 ZINC001168997741 1384082716 /nfs/dbraw/zinc/08/27/16/1384082716.db2.gz FHYYHWPPSGGCKW-HOCLYGCPSA-N 1 0 348.834 3.120 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCC3(C[C@H](c4ccccc4)CO3)CC2)C1 ZINC001169025681 1384093839 /nfs/dbraw/zinc/09/38/39/1384093839.db2.gz UCFARFSYXAYJCE-NZSAHSFTSA-N 1 0 344.455 3.471 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+](CCO)Cc2ccc(Cl)c(Cl)c2)C1 ZINC001169036560 1384096390 /nfs/dbraw/zinc/09/63/90/1384096390.db2.gz GPALJLVSJBREQJ-DGCLKSJQSA-N 1 0 347.242 3.233 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2CCc3ccc(OC(F)(F)F)cc3C2)C1 ZINC001169044574 1384099393 /nfs/dbraw/zinc/09/93/93/1384099393.db2.gz IKXFHAVVRRREDS-FZMZJTMJSA-N 1 0 344.333 3.389 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCN(c3cccc4sccc43)CC2)C1 ZINC001169046862 1384100042 /nfs/dbraw/zinc/10/00/42/1384100042.db2.gz NVHSOLDDEJDOCH-GJZGRUSLSA-N 1 0 345.468 3.469 20 5 EGBDRO COc1ccccc1S[C@@H]1CC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169047459 1384100343 /nfs/dbraw/zinc/10/03/43/1384100343.db2.gz RCXKDVVQNDUFSP-RBSFLKMASA-N 1 0 336.457 3.307 20 5 EGBDRO Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1cccc2ncc([N+](=O)[O-])n21 ZINC001169689281 1384173787 /nfs/dbraw/zinc/17/37/87/1384173787.db2.gz HCBBYYZGOVPMGZ-AWEZNQCLSA-N 1 0 337.383 3.483 20 5 EGBDRO COc1ccc(C[NH2+][C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC001170297362 1384285059 /nfs/dbraw/zinc/28/50/59/1384285059.db2.gz NFJALDNGQFUTRP-CYBMUJFWSA-N 1 0 330.384 3.333 20 5 EGBDRO COc1cccc(CC[NH2+][C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])c1 ZINC001170298899 1384285310 /nfs/dbraw/zinc/28/53/10/1384285310.db2.gz ODJGTIPUDWCWAT-CQSZACIVSA-N 1 0 344.411 3.375 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+][C@H](C(C)=O)c2ccccc2)c([N+](=O)[O-])c1 ZINC001170307050 1384286916 /nfs/dbraw/zinc/28/69/16/1384286916.db2.gz CUZUXMYZEKILSL-BFUOFWGJSA-N 1 0 342.395 3.454 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+]Cc2nc(C)ccc2F)c([N+](=O)[O-])c1 ZINC001170306423 1384287134 /nfs/dbraw/zinc/28/71/34/1384287134.db2.gz UVIJMWHMPRFWBM-LBPRGKRZSA-N 1 0 333.363 3.167 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+]CC(=O)c2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC001170312617 1384288641 /nfs/dbraw/zinc/28/86/41/1384288641.db2.gz GFQVPFVPSQKLLH-CQSZACIVSA-N 1 0 342.395 3.315 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2cncn2C(C)C)c([N+](=O)[O-])c1 ZINC001170323394 1384290584 /nfs/dbraw/zinc/29/05/84/1384290584.db2.gz JKKVOXMMEHZIKW-CYBMUJFWSA-N 1 0 332.404 3.102 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+]C[C@H]2CCOC(C)(C)C2)c([N+](=O)[O-])c1 ZINC001170322883 1384290624 /nfs/dbraw/zinc/29/06/24/1384290624.db2.gz IADUKGQKJQPXPO-KGLIPLIRSA-N 1 0 336.432 3.329 20 5 EGBDRO C[NH2+]Cc1ccc(N[C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC001170343135 1384296137 /nfs/dbraw/zinc/29/61/37/1384296137.db2.gz NXCPMZZIURWSAF-ZDUSSCGKSA-N 1 0 329.400 3.366 20 5 EGBDRO COc1ccc(C[C@H](C)[N@@H+]2CC[C@@]3(CC3(F)F)C2)c([N+](=O)[O-])c1 ZINC001170345464 1384296260 /nfs/dbraw/zinc/29/62/60/1384296260.db2.gz LATIZESUNDFNRL-XHDPSFHLSA-N 1 0 326.343 3.266 20 5 EGBDRO CC[NH+](CC)C1CCN([C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC001170347055 1384296827 /nfs/dbraw/zinc/29/68/27/1384296827.db2.gz PUACFWYULOTUMM-OAHLLOKOSA-N 1 0 349.475 3.341 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH+]2CCC(n3cccn3)CC2)c([N+](=O)[O-])c1 ZINC001170352834 1384298481 /nfs/dbraw/zinc/29/84/81/1384298481.db2.gz RIZVYFIWRPRFKV-CQSZACIVSA-N 1 0 344.415 3.068 20 5 EGBDRO C[NH+]1C(C)(C)CC(Nc2cccc3ncc([N+](=O)[O-])n32)CC1(C)C ZINC001170453891 1384323102 /nfs/dbraw/zinc/32/31/02/1384323102.db2.gz OWKPDWOWAZQYTH-UHFFFAOYSA-N 1 0 331.420 3.306 20 5 EGBDRO C[C@H](Nc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1)[C@H]1C[NH2+]CCO1 ZINC001170569059 1384343958 /nfs/dbraw/zinc/34/39/58/1384343958.db2.gz HWALHFRLLYSQJH-SCLBCKFNSA-N 1 0 327.384 3.051 20 5 EGBDRO CCCc1occc1C(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001171106360 1384446746 /nfs/dbraw/zinc/44/67/46/1384446746.db2.gz NGEFKWMEEWZXGQ-UHFFFAOYSA-N 1 0 345.399 3.050 20 5 EGBDRO Cc1ccc2c(C[C@H](C)[NH3+])cn(-c3cccc4ncc([N+](=O)[O-])n43)c2c1 ZINC001171169148 1384459428 /nfs/dbraw/zinc/45/94/28/1384459428.db2.gz YZCCXQZLHSBRMM-ZDUSSCGKSA-N 1 0 349.394 3.385 20 5 EGBDRO Cc1cc(NC[C@@H]2CCCC[NH2+]2)c([N+](=O)[O-])cc1Br ZINC001171335695 1384496781 /nfs/dbraw/zinc/49/67/81/1384496781.db2.gz RFANZAVNRMGKCJ-JTQLQIEISA-N 1 0 328.210 3.220 20 5 EGBDRO Cc1ccc(C)c(C(=O)NCCC[NH2+]Cc2csc([N+](=O)[O-])c2)c1 ZINC001171940509 1384689386 /nfs/dbraw/zinc/68/93/86/1384689386.db2.gz DSIVPUVVLHZFDN-UHFFFAOYSA-N 1 0 347.440 3.183 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]Cc1cn3ccccc3n1)CC2 ZINC001172897575 1384873553 /nfs/dbraw/zinc/87/35/53/1384873553.db2.gz AFRBWUDSCPLGSA-INIZCTEOSA-N 1 0 336.395 3.280 20 5 EGBDRO COC(=O)[C@H]1CC[C@H]([NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172899526 1384874116 /nfs/dbraw/zinc/87/41/16/1384874116.db2.gz AGLFBVSDRUXWJH-XIRDDKMYSA-N 1 0 346.427 3.164 20 5 EGBDRO CC(C)n1cncc1C[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172907009 1384875474 /nfs/dbraw/zinc/87/54/74/1384875474.db2.gz ZVFHESPTSYEUCT-MRXNPFEDSA-N 1 0 328.416 3.409 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1CC[C@H](N3CCCC3)C1)CC2 ZINC001172912599 1384876391 /nfs/dbraw/zinc/87/63/91/1384876391.db2.gz BXCGKHVQNHWOTP-HKUYNNGSSA-N 1 0 329.444 3.012 20 5 EGBDRO CCN1CC[N@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C(C)(C)C1 ZINC001172913011 1384876628 /nfs/dbraw/zinc/87/66/28/1384876628.db2.gz OEGZERATEBUDCV-QGZVFWFLSA-N 1 0 331.460 3.258 20 5 EGBDRO CCOC(=O)[C@@H]1CCC[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172918128 1384878499 /nfs/dbraw/zinc/87/84/99/1384878499.db2.gz YECMDNDHLZTFDK-SJORKVTESA-N 1 0 346.427 3.117 20 5 EGBDRO CC(C)(C)C[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173005253 1384897251 /nfs/dbraw/zinc/89/72/51/1384897251.db2.gz ACRSLFPLPFSLQY-UHFFFAOYSA-N 1 0 327.375 3.478 20 5 EGBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH+]3C4CCC3CC4)CC2)c(F)c1 ZINC001173017016 1384897752 /nfs/dbraw/zinc/89/77/52/1384897752.db2.gz WDVIRQZSXVGGRA-UHFFFAOYSA-N 1 0 337.370 3.469 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CCc2ccc(O)cc2)c1F ZINC001173176200 1384931577 /nfs/dbraw/zinc/93/15/77/1384931577.db2.gz GMCHSOPODAYXER-LBPRGKRZSA-N 1 0 348.374 3.211 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]Cc2cc(C)ccn2)c1F ZINC001173175966 1384932029 /nfs/dbraw/zinc/93/20/29/1384932029.db2.gz WMCYJQQDNJUOLW-GFCCVEGCSA-N 1 0 333.363 3.167 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2CCC[C@@H](CF)C2)c1F ZINC001173190728 1384933441 /nfs/dbraw/zinc/93/34/41/1384933441.db2.gz WGYISDJIVAQKQN-NEPJUHHUSA-N 1 0 328.359 3.355 20 5 EGBDRO CCCO[C@@H]1CC[N@@H+]([C@@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C1 ZINC001173190942 1384934124 /nfs/dbraw/zinc/93/41/24/1384934124.db2.gz XVVSPMOZQQNYIJ-QWHCGFSZSA-N 1 0 340.395 3.174 20 5 EGBDRO Cc1ccc2c(c1)[C@H]([NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)N2 ZINC001173211353 1384937262 /nfs/dbraw/zinc/93/72/62/1384937262.db2.gz RPVFILDSGCIKAV-PXAZEXFGSA-N 1 0 325.368 3.117 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1nnc(-c2ccccc2)o1 ZINC001173215795 1384937608 /nfs/dbraw/zinc/93/76/08/1384937608.db2.gz ZXEAHXSZKGLULZ-CYBMUJFWSA-N 1 0 338.367 3.366 20 5 EGBDRO COc1cccc2c1OC[C@@H]2[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173223985 1384939062 /nfs/dbraw/zinc/93/90/62/1384939062.db2.gz CSPGRBHPVOUVDZ-WBMJQRKESA-N 1 0 328.368 3.258 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC(=O)c1cc(F)ccc1F ZINC001173224145 1384939140 /nfs/dbraw/zinc/93/91/40/1384939140.db2.gz MJKAXLWQYGXXAS-LLVKDONJSA-N 1 0 334.322 3.277 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cncn1CC1CCC1 ZINC001173225665 1384939953 /nfs/dbraw/zinc/93/99/53/1384939953.db2.gz UMPSLXLZJVPXDK-AWEZNQCLSA-N 1 0 328.416 3.312 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC001173227647 1384940240 /nfs/dbraw/zinc/94/02/40/1384940240.db2.gz RQEJOBDVJKCHFV-UKRRQHHQSA-N 1 0 334.416 3.189 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCc2ccccc2NC1=O ZINC001173233575 1384941575 /nfs/dbraw/zinc/94/15/75/1384941575.db2.gz JPALLEJYLCPWJT-SCLBCKFNSA-N 1 0 339.395 3.069 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC1CCC2(CC1)OCCO2 ZINC001173234534 1384942162 /nfs/dbraw/zinc/94/21/62/1384942162.db2.gz PDYMFLRQPWXKFH-CQSZACIVSA-N 1 0 334.416 3.049 20 5 EGBDRO Cc1ccc(C(=O)NCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)c(C)c1 ZINC001175097381 1385194236 /nfs/dbraw/zinc/19/42/36/1385194236.db2.gz CWAHRSDPVIFHAP-UHFFFAOYSA-N 1 0 341.411 3.121 20 5 EGBDRO O=[N+]([O-])c1ccc(F)c(Nc2ccc(CC[NH+]3CCOCC3)cc2)c1 ZINC001175740199 1385391547 /nfs/dbraw/zinc/39/15/47/1385391547.db2.gz XNKUPZZDGANSLB-UHFFFAOYSA-N 1 0 345.374 3.352 20 5 EGBDRO C[NH+](C)CCn1cc(Nc2cc3cccnc3c3ncccc23)cn1 ZINC001176448768 1385590614 /nfs/dbraw/zinc/59/06/14/1385590614.db2.gz AZPZNRUIRRSJQP-UHFFFAOYSA-N 1 0 332.411 3.285 20 5 EGBDRO CC[NH+](CC)C1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC001318619780 1385799292 /nfs/dbraw/zinc/79/92/92/1385799292.db2.gz BLENJDVWKQGPBZ-UHFFFAOYSA-N 1 0 345.399 3.287 20 5 EGBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C[NH+](C)C)ccc1C ZINC001319365640 1386082860 /nfs/dbraw/zinc/08/28/60/1386082860.db2.gz VOOCFZLXQWCPTO-UHFFFAOYSA-N 1 0 342.399 3.259 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001320998342 1386778987 /nfs/dbraw/zinc/77/89/87/1386778987.db2.gz BLNAHEUGGXNQOC-ZFWWWQNUSA-N 1 0 334.420 3.206 20 5 EGBDRO Cc1ccc([C@H](C)NC(=O)N2CC[NH+](C(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC001322385697 1387176358 /nfs/dbraw/zinc/17/63/58/1387176358.db2.gz MLQRIFAXDZKVNG-AWEZNQCLSA-N 1 0 348.447 3.090 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1-c1noc([C@@H]2C[C@@]23CCC[NH2+]C3)n1 ZINC001329950608 1389270216 /nfs/dbraw/zinc/27/02/16/1389270216.db2.gz OLTVGNFBBXJLPE-SUMWQHHRSA-N 1 0 328.372 3.119 20 5 EGBDRO O=[N+]([O-])c1cnc(N2CC[C@H]([NH+]3CCCCC3)C2)c2ccccc21 ZINC001337324672 1389304599 /nfs/dbraw/zinc/30/45/99/1389304599.db2.gz SQXGOTCPKFUWHM-AWEZNQCLSA-N 1 0 326.400 3.208 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1-c1noc(CC[C@H]2CCC[NH2+]C2)n1 ZINC001331393660 1389731890 /nfs/dbraw/zinc/73/18/90/1389731890.db2.gz QLMXRIHWRJACNJ-CYBMUJFWSA-N 1 0 330.388 3.194 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(C[NH2+][C@@H](CO)C2CC2)o1 ZINC001339108649 1389903896 /nfs/dbraw/zinc/90/38/96/1389903896.db2.gz BRNYAHFHYFGTQA-AWEZNQCLSA-N 1 0 336.775 3.369 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(C[NH2+][C@@H](CO)CCF)o1 ZINC001332611779 1390140708 /nfs/dbraw/zinc/14/07/08/1390140708.db2.gz XIRSCIAZAOPOES-LLVKDONJSA-N 1 0 342.754 3.318 20 5 EGBDRO C[C@@H](COc1ccccc1F)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC001343916513 1390744128 /nfs/dbraw/zinc/74/41/28/1390744128.db2.gz MLIPSONOUPJODM-RYUDHWBXSA-N 1 0 333.363 3.434 20 5 EGBDRO Cc1ccccc1C[NH+]1CCC(Nc2c(C)cncc2[N+](=O)[O-])CC1 ZINC001346027554 1390901743 /nfs/dbraw/zinc/90/17/43/1390901743.db2.gz TVMGDQGIQRWNPQ-UHFFFAOYSA-N 1 0 340.427 3.105 20 5 EGBDRO CC[NH+]1CCC(NC(=O)Nc2ccc([N+](=O)[O-])c3ccccc23)CC1 ZINC001346631076 1390964100 /nfs/dbraw/zinc/96/41/00/1390964100.db2.gz VJBIDBXENPDZGZ-UHFFFAOYSA-N 1 0 342.399 3.354 20 5 EGBDRO CC(C(=O)NC/C=C/C[NH2+]Cc1ccccc1[N+](=O)[O-])=C1CCCC1 ZINC001754106645 1440541758 /nfs/dbraw/zinc/54/17/58/1440541758.db2.gz BAPKPCGPDNEVOU-VOTSOKGWSA-N 1 0 343.427 3.247 20 5 EGBDRO C/C=C(\C)C(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001754950522 1440714809 /nfs/dbraw/zinc/71/48/09/1440714809.db2.gz OITYZRBCQALLLF-BFGMFWIQSA-N 1 0 345.443 3.326 20 5 EGBDRO CC(C)CC(=O)N(C)CC(C)(C)C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001755277514 1440799554 /nfs/dbraw/zinc/79/95/54/1440799554.db2.gz JDJPHKBUTSDZPN-UHFFFAOYSA-N 1 0 335.448 3.215 20 5 EGBDRO COc1cc(C)nc(N2CCCC[C@H]2CC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC001165047005 721969433 /nfs/dbraw/zinc/96/94/33/721969433.db2.gz IBWHKWQZPQZMKH-HNNXBMFYSA-N 1 0 348.447 3.152 20 5 EGBDRO Cc1ccccc1C[C@@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000786577633 1126110072 /nfs/dbraw/zinc/11/00/72/1126110072.db2.gz AFHGMPVLPGQGSA-HNNXBMFYSA-N 1 0 334.803 3.250 20 5 EGBDRO C[C@H]([NH2+]CCC(=O)N(C)C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000178291676 232127114 /nfs/dbraw/zinc/12/71/14/232127114.db2.gz FBMHDYJYFICQIE-LBPRGKRZSA-N 1 0 347.440 3.452 20 5 EGBDRO C[C@@H]([NH2+]C1CCN(C(=O)c2ccoc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000178641928 232328064 /nfs/dbraw/zinc/32/80/64/232328064.db2.gz HLKAHYWRIZJMPS-CYBMUJFWSA-N 1 0 343.383 3.143 20 5 EGBDRO Cc1ccccc1CN(C)C(=O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180435782 233863185 /nfs/dbraw/zinc/86/31/85/233863185.db2.gz ZECBYJKGWVTCDR-HNNXBMFYSA-N 1 0 341.411 3.212 20 5 EGBDRO Cc1c(NC(=O)[C@@H](C)[NH2+][C@H](C)c2cccc(O)c2)cccc1[N+](=O)[O-] ZINC000181546789 234226103 /nfs/dbraw/zinc/22/61/03/234226103.db2.gz LIACTHHGUTVYCS-CHWSQXEVSA-N 1 0 343.383 3.287 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)NCc2ccccc2F)cc1[N+](=O)[O-] ZINC000181811971 234332389 /nfs/dbraw/zinc/33/23/89/234332389.db2.gz IKOMYXRSXFMBNB-ZDUSSCGKSA-N 1 0 345.374 3.009 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)NC2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000181817691 234335475 /nfs/dbraw/zinc/33/54/75/234335475.db2.gz HYIQMCCBEJBZMZ-UGWHAMFMSA-N 1 0 333.432 3.249 20 5 EGBDRO C[NH+](C)CC1(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)CCCC1 ZINC000186195040 235844383 /nfs/dbraw/zinc/84/43/83/235844383.db2.gz HMVYHBDDTMVIDV-UHFFFAOYSA-N 1 0 339.823 3.100 20 5 EGBDRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000178161400 283502261 /nfs/dbraw/zinc/50/22/61/283502261.db2.gz RCJFZSHDSCCIPA-MFKMUULPSA-N 1 0 333.413 3.057 20 5 EGBDRO Cc1ccc(C[NH2+]C[C@@H](c2ccco2)N2CCCC2)cc1[N+](=O)[O-] ZINC000072726253 216299619 /nfs/dbraw/zinc/29/96/19/216299619.db2.gz HFWIZUUYSJYTAX-KRWDZBQOSA-N 1 0 329.400 3.423 20 5 EGBDRO C[C@H](O)[C@@](C)(C[NH2+]Cc1csc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000191709234 239258112 /nfs/dbraw/zinc/25/81/12/239258112.db2.gz DWNBHCZDPGTIFG-SUMWQHHRSA-N 1 0 334.441 3.376 20 5 EGBDRO Nc1ccc([N+](=O)[O-])c(NC[C@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000193408873 240151804 /nfs/dbraw/zinc/15/18/04/240151804.db2.gz BIWFIVAVTOUJAA-MRXNPFEDSA-N 1 0 340.427 3.154 20 5 EGBDRO Cc1c(C(=O)N2CCC(CCC[NH+](C)C)CC2)cccc1[N+](=O)[O-] ZINC000133084468 223386785 /nfs/dbraw/zinc/38/67/85/223386785.db2.gz HHEHTCIZUBXUSI-UHFFFAOYSA-N 1 0 333.432 3.097 20 5 EGBDRO Cc1cc(C(=O)N2CCC(CCC[NH+](C)C)CC2)cc([N+](=O)[O-])c1 ZINC000133413036 223413211 /nfs/dbraw/zinc/41/32/11/223413211.db2.gz RBVVCRUFOLGOGM-UHFFFAOYSA-N 1 0 333.432 3.097 20 5 EGBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000363937176 284068188 /nfs/dbraw/zinc/06/81/88/284068188.db2.gz JLPXSOBJZGBPNR-OLZOCXBDSA-N 1 0 345.424 3.166 20 5 EGBDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000247057308 243364470 /nfs/dbraw/zinc/36/44/70/243364470.db2.gz TYQMQRNAVYXBBM-HZPDHXFCSA-N 1 0 345.443 3.321 20 5 EGBDRO C[NH+](C)CCCOc1cccc(NC(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000110491318 220039510 /nfs/dbraw/zinc/03/95/10/220039510.db2.gz RYJTXPHABUAAFZ-UHFFFAOYSA-N 1 0 349.412 3.239 20 5 EGBDRO CC(C)[NH+](CCCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(C)C ZINC000080476185 217306337 /nfs/dbraw/zinc/30/63/37/217306337.db2.gz SIWXIITYTIWVBQ-UHFFFAOYSA-N 1 0 341.839 3.487 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000264171050 246135179 /nfs/dbraw/zinc/13/51/79/246135179.db2.gz HWMWDLNMQGXXCV-AWEZNQCLSA-N 1 0 334.416 3.383 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000085637354 217681259 /nfs/dbraw/zinc/68/12/59/217681259.db2.gz SFAYNUHRPMPJGI-UHFFFAOYSA-N 1 0 346.431 3.304 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000085637514 217681297 /nfs/dbraw/zinc/68/12/97/217681297.db2.gz SPAUMGQEOMULLN-ZDUSSCGKSA-N 1 0 348.447 3.455 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000092230082 218128137 /nfs/dbraw/zinc/12/81/37/218128137.db2.gz SYLVGVBIDQNHIE-GJZGRUSLSA-N 1 0 333.432 3.123 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCCOC[C@H]1CCCO1)C1CC1 ZINC000268740249 252190677 /nfs/dbraw/zinc/19/06/77/252190677.db2.gz PQFJSUCXDVAKFN-QZTJIDSGSA-N 1 0 348.443 3.091 20 5 EGBDRO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])s1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181498622 533292480 /nfs/dbraw/zinc/29/24/80/533292480.db2.gz GLHPCQCELMZUHW-NEPJUHHUSA-N 1 0 337.445 3.039 20 5 EGBDRO COc1cccc(NC(=O)C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000181832085 533604550 /nfs/dbraw/zinc/60/45/50/533604550.db2.gz UGJDGGUMUFTMCJ-CYBMUJFWSA-N 1 0 343.383 3.201 20 5 EGBDRO COc1ccc(C[NH2+][C@H](C)c2ccc([S@](C)=O)cc2)cc1[N+](=O)[O-] ZINC000339499048 141122996 /nfs/dbraw/zinc/12/29/96/141122996.db2.gz BHYLWRLZNRXDOA-YYUOZPCZSA-N 1 0 348.424 3.192 20 5 EGBDRO C[C@H]1C[NH+](CCCNc2ccc([N+](=O)[O-])c3ncccc23)C[C@H](C)O1 ZINC000344483772 141163108 /nfs/dbraw/zinc/16/31/08/141163108.db2.gz NBINHQZYACYWAY-KBPBESRZSA-N 1 0 344.415 3.054 20 5 EGBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCCc2ccccc2C1 ZINC000346220198 141182932 /nfs/dbraw/zinc/18/29/32/141182932.db2.gz WFAOGMOYQFPYGP-CQSZACIVSA-N 1 0 339.395 3.370 20 5 EGBDRO CCCN(CCC[NH+](C)C)C(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000347914237 141216404 /nfs/dbraw/zinc/21/64/04/141216404.db2.gz WEGPCXSEIULALD-UHFFFAOYSA-N 1 0 335.448 3.324 20 5 EGBDRO CC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000348159580 141241328 /nfs/dbraw/zinc/24/13/28/141241328.db2.gz KEEUNCDBERKFNH-SCRDCRAPSA-N 1 0 335.404 3.099 20 5 EGBDRO COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)[C@H]1C ZINC000354603079 141313984 /nfs/dbraw/zinc/31/39/84/141313984.db2.gz NIXUWBNOLNFGJM-PGUXBMHVSA-N 1 0 340.807 3.316 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000173211790 144037691 /nfs/dbraw/zinc/03/76/91/144037691.db2.gz IEGZDODYBIOOBG-GASCZTMLSA-N 1 0 347.459 3.390 20 5 EGBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1cc(Cl)cc(Cl)c1 ZINC000174822913 144052990 /nfs/dbraw/zinc/05/29/90/144052990.db2.gz GRIMYSUFSKDSAO-UHFFFAOYSA-N 1 0 329.187 3.230 20 5 EGBDRO Cc1c(C[N@H+]2CCC[C@H](CC(=O)OC(C)C)C2)cccc1[N+](=O)[O-] ZINC000184479410 144093391 /nfs/dbraw/zinc/09/33/91/144093391.db2.gz SIZDTWAFOCLDMS-OAHLLOKOSA-N 1 0 334.416 3.457 20 5 EGBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)cc1 ZINC000186686759 144140954 /nfs/dbraw/zinc/14/09/54/144140954.db2.gz RAZRBOXQVBBIDB-IBGZPJMESA-N 1 0 340.379 3.105 20 5 EGBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186714110 144141681 /nfs/dbraw/zinc/14/16/81/144141681.db2.gz SXJYGSGKIBWMSC-LJQANCHMSA-N 1 0 340.379 3.105 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2noc(C[N@H+](CC3CC3)C3CCC3)n2)c1 ZINC000361587094 144332589 /nfs/dbraw/zinc/33/25/89/144332589.db2.gz UQJQCHWWTPKGKQ-UHFFFAOYSA-N 1 0 328.372 3.409 20 5 EGBDRO CSc1cccc(C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000363769804 144364512 /nfs/dbraw/zinc/36/45/12/144364512.db2.gz RBQGIMBWQLCUQL-CYBMUJFWSA-N 1 0 349.456 3.017 20 5 EGBDRO O=[N+]([O-])c1ccn(C2CC[NH+](CCSCc3ccccc3)CC2)n1 ZINC000363963584 144380288 /nfs/dbraw/zinc/38/02/88/144380288.db2.gz DEWDZGBMDCVJKB-UHFFFAOYSA-N 1 0 346.456 3.362 20 5 EGBDRO C[NH+](C)CC1(NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCC1 ZINC000341486190 155317736 /nfs/dbraw/zinc/31/77/36/155317736.db2.gz MRCJJCMZYVNTEJ-UHFFFAOYSA-N 1 0 329.400 3.429 20 5 EGBDRO C[S@](=O)c1ccc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000119113898 152174513 /nfs/dbraw/zinc/17/45/13/152174513.db2.gz VIOGIMRLQNGKJW-HSZRJFAPSA-N 1 0 332.425 3.357 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1CC[C@@H](C)C[C@H]1C ZINC000119558814 152214028 /nfs/dbraw/zinc/21/40/28/152214028.db2.gz ZGAXBYAFTGBQFC-UMVBOHGHSA-N 1 0 349.431 3.346 20 5 EGBDRO C[C@@H]1CCC[C@@H](C)[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000125252333 152468641 /nfs/dbraw/zinc/46/86/41/152468641.db2.gz KVNUJGSFRRQJHG-ZIAGYGMSSA-N 1 0 347.415 3.403 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H](O)Cc1ccccc1)CCC2 ZINC000192833799 153262223 /nfs/dbraw/zinc/26/22/23/153262223.db2.gz NURZLUYMCNCSDE-PKOBYXMFSA-N 1 0 326.396 3.165 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000301640378 154024551 /nfs/dbraw/zinc/02/45/51/154024551.db2.gz QZCYLUVGLVFKBO-MRXNPFEDSA-N 1 0 326.400 3.375 20 5 EGBDRO C[C@@H](Nc1ncccc1[N+](=O)[O-])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000336674224 154208996 /nfs/dbraw/zinc/20/89/96/154208996.db2.gz BVRXGFGYHZYDCB-ZBFHGGJFSA-N 1 0 326.400 3.312 20 5 EGBDRO Cc1cc([C@@H]2CCC[N@@H+]2CCC(=O)Nc2ccccc2[N+](=O)[O-])on1 ZINC000337339273 154292391 /nfs/dbraw/zinc/29/23/91/154292391.db2.gz RHPOGRAEMUYDQD-HNNXBMFYSA-N 1 0 344.371 3.057 20 5 EGBDRO COc1cc(C[NH2+][C@H]2CCCC[C@H]2OC(F)F)c([N+](=O)[O-])cc1F ZINC000337394228 154329880 /nfs/dbraw/zinc/32/98/80/154329880.db2.gz IHMWUXBKOGKVFB-WCQYABFASA-N 1 0 348.321 3.383 20 5 EGBDRO COc1cc(C[NH2+][C@@H]2CCCC[C@@H]2OC(F)F)ccc1[N+](=O)[O-] ZINC000337398621 154332730 /nfs/dbraw/zinc/33/27/30/154332730.db2.gz JOUHYZMMBSYMSC-YPMHNXCESA-N 1 0 330.331 3.243 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C3CCC(CO)CC3)o2)c1 ZINC000344962728 155869143 /nfs/dbraw/zinc/86/91/43/155869143.db2.gz XVHGGQDUAVJBQA-UHFFFAOYSA-N 1 0 330.384 3.496 20 5 EGBDRO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](O)Cc1cccc(Cl)c1 ZINC000346839126 156160398 /nfs/dbraw/zinc/16/03/98/156160398.db2.gz GJSCOVOABLEVTD-INIZCTEOSA-N 1 0 334.803 3.284 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@@H]1c1cccnc1 ZINC000346964026 156218540 /nfs/dbraw/zinc/21/85/40/156218540.db2.gz HTJPFSAFFBEITJ-QGZVFWFLSA-N 1 0 340.383 3.074 20 5 EGBDRO CSC1(CNc2cc(C)c([N+](=O)[O-])cc2F)CC[NH+](C)CC1 ZINC000359970302 156859149 /nfs/dbraw/zinc/85/91/49/156859149.db2.gz YSWIOXHCYPQEEP-UHFFFAOYSA-N 1 0 327.425 3.282 20 5 EGBDRO CC(C)(O)C[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000111385883 162154784 /nfs/dbraw/zinc/15/47/84/162154784.db2.gz KGAMGGLJZNHNGT-UHFFFAOYSA-N 1 0 334.347 3.387 20 5 EGBDRO C[C@H](O)C[N@H+](C)Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000130637705 162374583 /nfs/dbraw/zinc/37/45/83/162374583.db2.gz VMSZIEKGLDGBSI-LBPRGKRZSA-N 1 0 334.347 3.339 20 5 EGBDRO C[C@H](c1ccco1)[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000248477237 163009347 /nfs/dbraw/zinc/00/93/47/163009347.db2.gz YQEZHOFNKBPXHB-UKRRQHHQSA-N 1 0 346.383 3.153 20 5 EGBDRO CC[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000248906057 163045168 /nfs/dbraw/zinc/04/51/68/163045168.db2.gz ZZZFUSAAFXPWSF-CHWSQXEVSA-N 1 0 335.404 3.052 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(NC[C@@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000338637012 163300180 /nfs/dbraw/zinc/30/01/80/163300180.db2.gz MCSBRBXGJXBGKQ-INIZCTEOSA-N 1 0 331.372 3.445 20 5 EGBDRO O=[N+]([O-])c1cccc2c(N3CC[C@@H](C[NH+]4CCCC4)C3)ccnc21 ZINC000338673871 163313750 /nfs/dbraw/zinc/31/37/50/163313750.db2.gz OFLWGXDAGZQLJS-AWEZNQCLSA-N 1 0 326.400 3.065 20 5 EGBDRO CN(CCCOc1ccc(F)cc1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000338898126 163378856 /nfs/dbraw/zinc/37/88/56/163378856.db2.gz FQLTZGTWFUPWGA-UHFFFAOYSA-N 1 0 334.347 3.340 20 5 EGBDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000343946282 164071034 /nfs/dbraw/zinc/07/10/34/164071034.db2.gz WUSKRVXHBKLUKK-MGHWNKPDSA-N 1 0 345.443 3.201 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H](C)CC(C)(C)C1 ZINC000344001702 164080090 /nfs/dbraw/zinc/08/00/90/164080090.db2.gz VSSAPTDJYNIEMT-ZDUSSCGKSA-N 1 0 349.431 3.300 20 5 EGBDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1cnc(C(F)(F)F)s1 ZINC000344096911 164102158 /nfs/dbraw/zinc/10/21/58/164102158.db2.gz UYTLBGMXDOYCHK-UHFFFAOYSA-N 1 0 331.319 3.402 20 5 EGBDRO COc1cc(C[NH2+]C[C@@H](SC)C(C)(C)C)c([N+](=O)[O-])cc1O ZINC000344353147 164162445 /nfs/dbraw/zinc/16/24/45/164162445.db2.gz JJVDJOAEIBFTQS-CQSZACIVSA-N 1 0 328.434 3.176 20 5 EGBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000344579752 164191988 /nfs/dbraw/zinc/19/19/88/164191988.db2.gz BNBXWFWJSSCQNI-ZACQAIPSSA-N 1 0 347.459 3.311 20 5 EGBDRO C[N@H+](CCc1cnccn1)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000355374393 166178282 /nfs/dbraw/zinc/17/82/82/166178282.db2.gz YRHWFYWEJWSSSP-UHFFFAOYSA-N 1 0 338.367 3.319 20 5 EGBDRO CCOc1cc(C[N@@H+]2CC[C@@H](C3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000365191166 168032704 /nfs/dbraw/zinc/03/27/04/168032704.db2.gz QVSKRGAAKZBEQJ-MRXNPFEDSA-N 1 0 334.416 3.242 20 5 EGBDRO Cc1c(C[NH+]2CCC(Oc3ncccc3F)CC2)cccc1[N+](=O)[O-] ZINC000365706253 168037836 /nfs/dbraw/zinc/03/78/36/168037836.db2.gz DLFYAIIQKLRYSW-UHFFFAOYSA-N 1 0 345.374 3.481 20 5 EGBDRO CC(=O)c1cc(N2CCC[C@H]([NH+]3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000367339945 168210741 /nfs/dbraw/zinc/21/07/41/168210741.db2.gz RFUQELJBEVGOKD-HNNXBMFYSA-N 1 0 331.416 3.252 20 5 EGBDRO Cc1c([C@H](C)[NH2+]CC2(C(=O)N(C)C)CCCC2)cccc1[N+](=O)[O-] ZINC000165107324 226110553 /nfs/dbraw/zinc/11/05/53/226110553.db2.gz LEDUTSVDUPROJD-AWEZNQCLSA-N 1 0 333.432 3.202 20 5 EGBDRO CC[NH2+]Cc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)c1 ZINC000123218874 222237035 /nfs/dbraw/zinc/23/70/35/222237035.db2.gz VQQHXJRPJAIEFJ-UHFFFAOYSA-N 1 0 342.399 3.023 20 5 EGBDRO Cc1ccc([C@H](C)NC(=O)c2cccc(C[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000177866776 265282712 /nfs/dbraw/zinc/28/27/12/265282712.db2.gz CBWJWQBRSPXGOK-AWEZNQCLSA-N 1 0 341.411 3.456 20 5 EGBDRO C[NH+](C)CC1(CNc2ncnc3sc([N+](=O)[O-])cc32)CCCC1 ZINC000342835823 273794497 /nfs/dbraw/zinc/79/44/97/273794497.db2.gz QREGPLGUYUPYFH-UHFFFAOYSA-N 1 0 335.433 3.133 20 5 EGBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCc1ccccc1 ZINC000119909212 274472408 /nfs/dbraw/zinc/47/24/08/274472408.db2.gz GZQAKUAETFMIGB-CQSZACIVSA-N 1 0 327.384 3.144 20 5 EGBDRO Nc1ccc([N+](=O)[O-])c(NC[C@H](c2ccco2)[NH+]2CCCCC2)c1 ZINC000192763951 274964814 /nfs/dbraw/zinc/96/48/14/274964814.db2.gz WRINGEVBSKJINT-MRXNPFEDSA-N 1 0 330.388 3.409 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1cnc3n1CCCC3)CCC2 ZINC000375323178 275038501 /nfs/dbraw/zinc/03/85/01/275038501.db2.gz YOBAXVXFGNABMP-QGZVFWFLSA-N 1 0 326.400 3.295 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+]C(C)(C)c1nccs1 ZINC000118848479 275189684 /nfs/dbraw/zinc/18/96/84/275189684.db2.gz IBFRIVGVNQWXAA-UHFFFAOYSA-N 1 0 348.428 3.213 20 5 EGBDRO C[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H](C)c1ccccc1 ZINC000181539551 275207934 /nfs/dbraw/zinc/20/79/34/275207934.db2.gz ZAKOGDBLLRXUNA-VKJFTORMSA-N 1 0 344.411 3.116 20 5 EGBDRO Cc1cc([C@@H](C)[NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])c(C)s1 ZINC000182985103 275209740 /nfs/dbraw/zinc/20/97/40/275209740.db2.gz TWMWEFHVCNANIA-SNVBAGLBSA-N 1 0 333.413 3.223 20 5 EGBDRO C[C@@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CN1C1CC1 ZINC000278686563 275265655 /nfs/dbraw/zinc/26/56/55/275265655.db2.gz IMERNNJLMZIOBQ-ZWNOBZJWSA-N 1 0 343.349 3.328 20 5 EGBDRO C[C@H](CO[C@H]1CCOC1)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279124594 275305843 /nfs/dbraw/zinc/30/58/43/275305843.db2.gz QHQVDELHQASHOD-IFIJOSMWSA-N 1 0 334.416 3.101 20 5 EGBDRO CO[C@@]1(C)CCC[N@@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000279291209 275319825 /nfs/dbraw/zinc/31/98/25/275319825.db2.gz LCPCWRWHVPSSHU-PXAZEXFGSA-N 1 0 346.387 3.207 20 5 EGBDRO CCSCCC[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000282742807 275666252 /nfs/dbraw/zinc/66/62/52/275666252.db2.gz NFZGCINWHVYXKN-LBPRGKRZSA-N 1 0 325.434 3.045 20 5 EGBDRO [NH3+]CC[C@H]1CCCCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000285883174 275922766 /nfs/dbraw/zinc/92/27/66/275922766.db2.gz CBKZXCHWUMOROT-GFCCVEGCSA-N 1 0 333.413 3.153 20 5 EGBDRO CCOC[C@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C(C)C ZINC000286083274 275949320 /nfs/dbraw/zinc/94/93/20/275949320.db2.gz KEZJNYRTBQCIBX-INIZCTEOSA-N 1 0 347.415 3.443 20 5 EGBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000286416233 275996913 /nfs/dbraw/zinc/99/69/13/275996913.db2.gz QRCQXWRGGMUDJH-AAEUAGOBSA-N 1 0 341.358 3.259 20 5 EGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1nccc(C(F)F)n1 ZINC000287015676 276071220 /nfs/dbraw/zinc/07/12/20/276071220.db2.gz KWJGTQGQYCZADD-NSHDSACASA-N 1 0 336.342 3.433 20 5 EGBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000288460740 276216508 /nfs/dbraw/zinc/21/65/08/276216508.db2.gz UFIFKTWFDKFNCQ-GOSISDBHSA-N 1 0 345.443 3.003 20 5 EGBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000288884495 276263439 /nfs/dbraw/zinc/26/34/39/276263439.db2.gz MSRJUFAFZMVFBC-CQSZACIVSA-N 1 0 347.419 3.270 20 5 EGBDRO CCc1nnc(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)s1 ZINC000290030721 276437048 /nfs/dbraw/zinc/43/70/48/276437048.db2.gz CWJASNQSDXXECZ-ZDUSSCGKSA-N 1 0 332.429 3.120 20 5 EGBDRO C[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)[C@@H]1OCCc2sccc21 ZINC000292275224 276761088 /nfs/dbraw/zinc/76/10/88/276761088.db2.gz BJSZAOLUAYFRDQ-PXAZEXFGSA-N 1 0 348.424 3.327 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)[C@@H]1OCCc2sccc21 ZINC000292363996 276779629 /nfs/dbraw/zinc/77/96/29/276779629.db2.gz IJKGLEIMRMQJPK-DIFFPNOSSA-N 1 0 348.424 3.457 20 5 EGBDRO CS[C@H]1CN(c2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000349219493 278167996 /nfs/dbraw/zinc/16/79/96/278167996.db2.gz VZAFIWSJXYNWRS-GJZGRUSLSA-N 1 0 341.864 3.264 20 5 EGBDRO CC[NH+](CC)CCN(CCC(F)(F)F)c1ncccc1[N+](=O)[O-] ZINC000161861628 279102775 /nfs/dbraw/zinc/10/27/75/279102775.db2.gz SWBHAIAHHUEJRU-UHFFFAOYSA-N 1 0 334.342 3.090 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)CCc1ccccc1 ZINC000053048280 307334555 /nfs/dbraw/zinc/33/45/55/307334555.db2.gz MQWVNTWMFOCXJE-UHFFFAOYSA-N 1 0 341.411 3.406 20 5 EGBDRO CCOC(=O)N1CCC([NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000120174760 307503889 /nfs/dbraw/zinc/50/38/89/307503889.db2.gz OOLSSRJUIAWIQQ-CYBMUJFWSA-N 1 0 335.404 3.175 20 5 EGBDRO Cc1ccc(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)nc1C ZINC000414161586 309064074 /nfs/dbraw/zinc/06/40/74/309064074.db2.gz FRWAANCTQDLPCF-JKSUJKDBSA-N 1 0 329.404 3.077 20 5 EGBDRO CO[C@@H]1C[C@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C12CCC2 ZINC000414194601 309066118 /nfs/dbraw/zinc/06/61/18/309066118.db2.gz ULAQWGYQYGJIAP-RYQLBKOJSA-N 1 0 330.428 3.463 20 5 EGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](CO)c1ccc(F)cc1 ZINC000414282985 309070596 /nfs/dbraw/zinc/07/05/96/309070596.db2.gz DTYJCODFXMYQLW-XJKSGUPXSA-N 1 0 332.375 3.031 20 5 EGBDRO C[C@@H]1C[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@@H]2CCCC[C@H]21 ZINC000248409535 308002308 /nfs/dbraw/zinc/00/23/08/308002308.db2.gz CQWZDYFXDOFUIX-XOKHGSTOSA-N 1 0 331.416 3.068 20 5 EGBDRO O=C(/C=C\c1ccccc1[N+](=O)[O-])N1CCC[N@@H+](C2CCCC2)CC1 ZINC000255551100 308053581 /nfs/dbraw/zinc/05/35/81/308053581.db2.gz JUBPKEHAUBGSKK-KHPPLWFESA-N 1 0 343.427 3.085 20 5 EGBDRO CC(C)Oc1ccc(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cn1 ZINC000293828969 308165913 /nfs/dbraw/zinc/16/59/13/308165913.db2.gz SHSQNPWAESDJHG-LBPRGKRZSA-N 1 0 330.388 3.210 20 5 EGBDRO CC[C@@H](C[NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-])CC(F)(F)F ZINC000414515631 309085853 /nfs/dbraw/zinc/08/58/53/309085853.db2.gz MLZSMBGFPDELLM-SECBINFHSA-N 1 0 336.310 3.377 20 5 EGBDRO C[C@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccc([S@](C)=O)cc1 ZINC000294678556 308244953 /nfs/dbraw/zinc/24/49/53/308244953.db2.gz IBKKLHROYACTRM-CTRJTCCGSA-N 1 0 347.440 3.326 20 5 EGBDRO CC(C)(C[C@@H]1CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1)C(N)=O ZINC000294909237 308270467 /nfs/dbraw/zinc/27/04/67/308270467.db2.gz XXXCRILBWDBRBC-PPYMECGQSA-N 1 0 345.443 3.222 20 5 EGBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])c3cccnc32)CC[N@@H+](C2CC2)C1 ZINC000295043547 308284991 /nfs/dbraw/zinc/28/49/91/308284991.db2.gz XHVCVQPLFVNYKL-ZDUSSCGKSA-N 1 0 326.400 3.064 20 5 EGBDRO CN(C)C(=O)C1([NH2+]Cc2ccc(Cl)c([N+](=O)[O-])c2)CCCCC1 ZINC000295091240 308290047 /nfs/dbraw/zinc/29/00/47/308290047.db2.gz TVIAJIJLIRGAGK-UHFFFAOYSA-N 1 0 339.823 3.129 20 5 EGBDRO Cc1nc(NCC2CC[NH+](Cc3ccccc3)CC2)ncc1[N+](=O)[O-] ZINC000295616215 308343771 /nfs/dbraw/zinc/34/37/71/308343771.db2.gz VVUJUGIILVOXDS-UHFFFAOYSA-N 1 0 341.415 3.017 20 5 EGBDRO O=[N+]([O-])c1cc2c(ncnc2NC2CC[NH+](C3CCC3)CC2)s1 ZINC000296116752 308395218 /nfs/dbraw/zinc/39/52/18/308395218.db2.gz VRJKRWQDQRTCBL-UHFFFAOYSA-N 1 0 333.417 3.028 20 5 EGBDRO Cc1c(NC(=O)NCC[NH2+]C2CCCCCC2)cccc1[N+](=O)[O-] ZINC000414699208 309096151 /nfs/dbraw/zinc/09/61/51/309096151.db2.gz JOJPHZVTEACUNW-UHFFFAOYSA-N 1 0 334.420 3.337 20 5 EGBDRO Cc1cc(Cl)c(C(=O)N2CCC[C@H]([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000296945422 308482854 /nfs/dbraw/zinc/48/28/54/308482854.db2.gz XQOUUSXDFRXXJQ-LBPRGKRZSA-N 1 0 339.823 3.113 20 5 EGBDRO COc1cc(C[NH2+]C[C@H]2C[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000299667378 308683686 /nfs/dbraw/zinc/68/36/86/308683686.db2.gz XQHYPMJSSAPDAQ-VHSXEESVSA-N 1 0 348.321 3.290 20 5 EGBDRO CC(C)(C)Oc1cc(N2CC[C@@H]([NH+]3CC=CC3)C2)ccc1[N+](=O)[O-] ZINC000301891293 308720331 /nfs/dbraw/zinc/72/03/31/308720331.db2.gz LYHOQFBYYSQUDV-OAHLLOKOSA-N 1 0 331.416 3.223 20 5 EGBDRO CCOc1cc(N2CCC[C@H]2C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000302379851 308736466 /nfs/dbraw/zinc/73/64/66/308736466.db2.gz BLLNWJYKGCBVPT-INIZCTEOSA-N 1 0 333.432 3.448 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000340549878 308879867 /nfs/dbraw/zinc/87/98/67/308879867.db2.gz MRUGDBBAYWVKFE-UGSOOPFHSA-N 1 0 333.432 3.144 20 5 EGBDRO CC[C@@H]1CCCC[C@@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000411557533 308944034 /nfs/dbraw/zinc/94/40/34/308944034.db2.gz ZNPQBCUJEWWRCO-HIFRSBDPSA-N 1 0 349.431 3.490 20 5 EGBDRO CC(C)[C@@H](CC(F)(F)F)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000411623071 308946072 /nfs/dbraw/zinc/94/60/72/308946072.db2.gz ZEJQIFJYPIIWEL-GFCCVEGCSA-N 1 0 347.337 3.490 20 5 EGBDRO C[C@@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2F)C[N@@H+]1Cc1ccccc1 ZINC000413187012 309020331 /nfs/dbraw/zinc/02/03/31/309020331.db2.gz QPGWATUOHUEUHL-OCCSQVGLSA-N 1 0 330.363 3.204 20 5 EGBDRO O=[N+]([O-])c1cnc(NC2CC[NH+](C3CCC3)CC2)c(C(F)(F)F)c1 ZINC000413325181 309026797 /nfs/dbraw/zinc/02/67/97/309026797.db2.gz UMTYXUUQLVRHNE-UHFFFAOYSA-N 1 0 344.337 3.437 20 5 EGBDRO C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2F)CC[N@H+](Cc2ccccc2)C1 ZINC000413330229 309027169 /nfs/dbraw/zinc/02/71/69/309027169.db2.gz ZYMKQYOVVGZSST-AWEZNQCLSA-N 1 0 344.390 3.087 20 5 EGBDRO CN(C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)C(C)(C)C[NH+]1CCCC1 ZINC000416333594 309169035 /nfs/dbraw/zinc/16/90/35/309169035.db2.gz MLHUFRLGYKYRBM-UHFFFAOYSA-N 1 0 344.415 3.023 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]Cc2ccccc2C(=O)N(C)C)cc1[N+](=O)[O-] ZINC000417965069 309229807 /nfs/dbraw/zinc/22/98/07/309229807.db2.gz QZHKOOFBRISGJM-AWEZNQCLSA-N 1 0 341.411 3.456 20 5 EGBDRO COC1(C(F)(F)F)CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000419332354 309264755 /nfs/dbraw/zinc/26/47/55/309264755.db2.gz RCSCAYYYAPDCOH-UHFFFAOYSA-N 1 0 348.321 3.017 20 5 EGBDRO CN(Cc1c(F)cc([N+](=O)[O-])cc1F)C(C)(C)C[NH+]1CCCC1 ZINC000419381556 309266001 /nfs/dbraw/zinc/26/60/01/309266001.db2.gz YJYDBYYYQIBPSU-UHFFFAOYSA-N 1 0 327.375 3.179 20 5 EGBDRO Cc1cc(N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420227145 309277560 /nfs/dbraw/zinc/27/75/60/309277560.db2.gz IMLAMGJGZFNCHN-DMDPSCGWSA-N 1 0 343.349 3.486 20 5 EGBDRO C[C@@H]1CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)[C@H](C[NH3+])C1 ZINC000420268320 309278792 /nfs/dbraw/zinc/27/87/92/309278792.db2.gz YZGOIZLOKIUGAU-HIFRSBDPSA-N 1 0 326.400 3.220 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)C1CC[NH+](C(C)C)CC1 ZINC000421417042 309323859 /nfs/dbraw/zinc/32/38/59/309323859.db2.gz GJMHNRZAGNVOBS-UHFFFAOYSA-N 1 0 333.432 3.156 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000421510919 309327777 /nfs/dbraw/zinc/32/77/77/309327777.db2.gz UODYWEYMHFAUTL-UHFFFAOYSA-N 1 0 333.432 3.063 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000421779203 309339772 /nfs/dbraw/zinc/33/97/72/309339772.db2.gz KXBAMTMOZRULPJ-MRXNPFEDSA-N 1 0 345.443 3.016 20 5 EGBDRO O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)[C@]12C[C@H]1CC[NH2+]2 ZINC000423212750 309390667 /nfs/dbraw/zinc/39/06/67/309390667.db2.gz MHAPYFMSHAUKLN-XIKOKIGWSA-N 1 0 339.351 3.078 20 5 EGBDRO CCc1ccc([C@H](NC[C@@H]([NH3+])C2CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000423330367 309395595 /nfs/dbraw/zinc/39/55/95/309395595.db2.gz UFIQDFRWGNGCCQ-SJLPKXTDSA-N 1 0 329.400 3.167 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](NCC[C@H]2CCC[NH2+]2)c2ccccc2)c1 ZINC000423365740 309397259 /nfs/dbraw/zinc/39/72/59/309397259.db2.gz POPQULUUHXLUNA-IEBWSBKVSA-N 1 0 325.412 3.416 20 5 EGBDRO CSc1cccc(-c2nc(C3([NH3+])CCCCC3)no2)c1[N+](=O)[O-] ZINC000424345691 309439875 /nfs/dbraw/zinc/43/98/75/309439875.db2.gz NFHQRQHORIUECD-UHFFFAOYSA-N 1 0 334.401 3.485 20 5 EGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1Cc2cccc(O)c2C1 ZINC000433040086 309676410 /nfs/dbraw/zinc/67/64/10/309676410.db2.gz PDHNCKGHOUQKBY-CJNGLKHVSA-N 1 0 326.396 3.379 20 5 EGBDRO CC(C)C[C@@H](CNc1cc(C(F)(F)F)ncc1[N+](=O)[O-])[NH+](C)C ZINC000436270272 309751352 /nfs/dbraw/zinc/75/13/52/309751352.db2.gz AEHPOXNVCYDWQB-JTQLQIEISA-N 1 0 334.342 3.397 20 5 EGBDRO CCCC(O)(CCC)C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447538513 309981334 /nfs/dbraw/zinc/98/13/34/309981334.db2.gz CHRUIUQHHPCTTO-CABCVRRESA-N 1 0 338.452 3.196 20 5 EGBDRO COCc1cccc(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000447544094 309981418 /nfs/dbraw/zinc/98/14/18/309981418.db2.gz NFPKHZSYIAGPOT-IAGOWNOFSA-N 1 0 344.415 3.211 20 5 EGBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCOc2cccc(F)c2)n1 ZINC000447544802 309981699 /nfs/dbraw/zinc/98/16/99/309981699.db2.gz WIPZYYWNQFWBTC-CVEARBPZSA-N 1 0 348.378 3.083 20 5 EGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCOc2cccc(F)c2)n1 ZINC000447544804 309981719 /nfs/dbraw/zinc/98/17/19/309981719.db2.gz WIPZYYWNQFWBTC-HZPDHXFCSA-N 1 0 348.378 3.083 20 5 EGBDRO Cc1cnc([C@H](C)C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)s1 ZINC000447607462 309984348 /nfs/dbraw/zinc/98/43/48/309984348.db2.gz SJMWRLLUTXHLQP-MRVWCRGKSA-N 1 0 349.460 3.433 20 5 EGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](Cc1ccccc1)N(C)C ZINC000449061250 310033972 /nfs/dbraw/zinc/03/39/72/310033972.db2.gz IASXKDPZADYPHQ-VQIMIIECSA-N 1 0 341.455 3.288 20 5 EGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](Cc1ccccc1)N(C)C ZINC000449061248 310033977 /nfs/dbraw/zinc/03/39/77/310033977.db2.gz IASXKDPZADYPHQ-QFBILLFUSA-N 1 0 341.455 3.288 20 5 EGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)c1nnc2n1CCCCC2 ZINC000449076909 310035207 /nfs/dbraw/zinc/03/52/07/310035207.db2.gz UUQJOKOPFJRCKO-ZIAGYGMSSA-N 1 0 343.431 3.195 20 5 EGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000449105064 310037387 /nfs/dbraw/zinc/03/73/87/310037387.db2.gz CABVZVFYAYXFNW-GFCCVEGCSA-N 1 0 345.365 3.142 20 5 EGBDRO C[NH2+][C@H](CC(C)(C)C)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000449129022 310039085 /nfs/dbraw/zinc/03/90/85/310039085.db2.gz AXOISOGZCPLDOU-MRXNPFEDSA-N 1 0 335.448 3.058 20 5 EGBDRO CC(=O)Nc1ccc(CC[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000449130199 310039127 /nfs/dbraw/zinc/03/91/27/310039127.db2.gz XXEVOWIHVRCXMT-AWEZNQCLSA-N 1 0 341.411 3.317 20 5 EGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCc1ccc2c(c1)CCO2 ZINC000449140274 310039902 /nfs/dbraw/zinc/03/99/02/310039902.db2.gz INAZCTFGXOQUAH-CQSZACIVSA-N 1 0 326.396 3.293 20 5 EGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1ccc(NC(N)=O)cc1 ZINC000449142192 310039933 /nfs/dbraw/zinc/03/99/33/310039933.db2.gz SFJIOJNFPUEUAP-OLZOCXBDSA-N 1 0 342.399 3.367 20 5 EGBDRO CC(C)NC(=O)[C@@H]1CCC[C@@H]([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449151547 310040684 /nfs/dbraw/zinc/04/06/84/310040684.db2.gz XZESZACTJKXEFQ-DJIMGWMZSA-N 1 0 347.459 3.199 20 5 EGBDRO CC(C)NC(=O)[C@@H]1CCC[C@H]([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449151548 310040713 /nfs/dbraw/zinc/04/07/13/310040713.db2.gz XZESZACTJKXEFQ-OIISXLGYSA-N 1 0 347.459 3.199 20 5 EGBDRO CC(C)c1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449193348 310043583 /nfs/dbraw/zinc/04/35/83/310043583.db2.gz NGOVPFBDSRTBNA-DZGCQCFKSA-N 1 0 343.431 3.365 20 5 EGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](c1cccs1)N(C)C ZINC000449218816 310045369 /nfs/dbraw/zinc/04/53/69/310045369.db2.gz KZZHNPUCUSCROB-CJNGLKHVSA-N 1 0 333.457 3.480 20 5 EGBDRO CC[C@H](COCC(F)(F)F)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449381851 310057868 /nfs/dbraw/zinc/05/78/68/310057868.db2.gz TZNWSFFPWDSYET-DGCLKSJQSA-N 1 0 334.338 3.473 20 5 EGBDRO COc1ncc(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])cc1Cl ZINC000449460626 310063737 /nfs/dbraw/zinc/06/37/37/310063737.db2.gz OAFNBYBZUNFJGN-LLVKDONJSA-N 1 0 335.791 3.373 20 5 EGBDRO Cc1cc(C)c(C[NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)cn1 ZINC000449733763 310083115 /nfs/dbraw/zinc/08/31/15/310083115.db2.gz JRQCCQQHKFEPOP-CQSZACIVSA-N 1 0 342.399 3.114 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2csc(N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)n2)cc1 ZINC000450252655 310111164 /nfs/dbraw/zinc/11/11/64/310111164.db2.gz JJLZIDZZEAXKBS-UKRRQHHQSA-N 1 0 344.440 3.179 20 5 EGBDRO C[N@H+](CC1CC1)C[C@H]1CCN(c2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000450363101 310118056 /nfs/dbraw/zinc/11/80/56/310118056.db2.gz HZEDTVCCTMUYDJ-OAHLLOKOSA-N 1 0 340.427 3.311 20 5 EGBDRO C[C@H]([NH2+][C@H]1CCCN(CC(C)(C)C)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000451103367 310160772 /nfs/dbraw/zinc/16/07/72/310160772.db2.gz NKDJYYDBXGWTII-BBRMVZONSA-N 1 0 333.432 3.283 20 5 EGBDRO COc1cc(C[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)c([N+](=O)[O-])cc1F ZINC000451474837 310180247 /nfs/dbraw/zinc/18/02/47/310180247.db2.gz BMGBXGLVTRGKRT-XZJROXQQSA-N 1 0 338.379 3.036 20 5 EGBDRO CO[C@]1(C)C[C@@H]([NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1(C)C ZINC000451481684 310180531 /nfs/dbraw/zinc/18/05/31/310180531.db2.gz BGJSBHIPNCIPNT-CRAIPNDOSA-N 1 0 349.431 3.025 20 5 EGBDRO CC(C)N(C)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451549219 310185434 /nfs/dbraw/zinc/18/54/34/310185434.db2.gz PFIVNMKINDJHKE-GOEBONIOSA-N 1 0 333.432 3.030 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](CCO[C@@H]3CCCCO3)C2)cc1 ZINC000451551733 310185725 /nfs/dbraw/zinc/18/57/25/310185725.db2.gz UWUGJXZGIXDZNI-SJLPKXTDSA-N 1 0 334.416 3.317 20 5 EGBDRO COC[C@H]1CCCC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000452033869 310208401 /nfs/dbraw/zinc/20/84/01/310208401.db2.gz CUJNLNZXFZQVQV-MRXNPFEDSA-N 1 0 345.399 3.293 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)[C@@H]1CCC[C@@H](C)C1 ZINC000452073758 310210481 /nfs/dbraw/zinc/21/04/81/310210481.db2.gz VYGDQKMYKFZCBP-HZSPNIEDSA-N 1 0 349.431 3.346 20 5 EGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@H]2CCCC2(F)F)n1 ZINC000453323522 310271037 /nfs/dbraw/zinc/27/10/37/310271037.db2.gz ULALIOHOEMBSIR-JHJVBQTASA-N 1 0 328.363 3.300 20 5 EGBDRO CC(C)C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])Cc1cnn(C)c1 ZINC000453620665 310285164 /nfs/dbraw/zinc/28/51/64/310285164.db2.gz MDZQKHQFODYQNP-SOFGYWHQSA-N 1 0 328.416 3.500 20 5 EGBDRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)c3cccc([N+](=O)[O-])c3)ccc21 ZINC000456263035 310395476 /nfs/dbraw/zinc/39/54/76/310395476.db2.gz LYJRJRZPEMHKOI-QGZVFWFLSA-N 1 0 325.368 3.396 20 5 EGBDRO CCC[C@H]([NH2+]CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C1CCC1 ZINC000459803707 310576342 /nfs/dbraw/zinc/57/63/42/310576342.db2.gz OBTBORWVJJWNRA-AWEZNQCLSA-N 1 0 335.404 3.100 20 5 EGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCc1cn2c(n1)SCC2 ZINC000468032483 310681037 /nfs/dbraw/zinc/68/10/37/310681037.db2.gz XUONAIHNHUDRQA-CYBMUJFWSA-N 1 0 346.456 3.050 20 5 EGBDRO CC[NH+](CC)[C@H](CNc1cc(C)c([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000470874291 310728919 /nfs/dbraw/zinc/72/89/19/310728919.db2.gz UQECYPDGHRMLSY-KRWDZBQOSA-N 1 0 342.443 3.085 20 5 EGBDRO C[C@H](C[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000480656650 310898527 /nfs/dbraw/zinc/89/85/27/310898527.db2.gz BLFLDJDDOFEIDV-ZJUUUORDSA-N 1 0 333.310 3.100 20 5 EGBDRO Cc1ccccc1O[C@@H]1CCCC[C@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000484634334 310967588 /nfs/dbraw/zinc/96/75/88/310967588.db2.gz GTLLVRVVIYEPAF-SJLPKXTDSA-N 1 0 344.415 3.080 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@H]1CCO[C@@H]1c1cccnc1 ZINC000486889786 311001365 /nfs/dbraw/zinc/00/13/65/311001365.db2.gz AMWBGFZZBJIYQS-BYVBVCRGSA-N 1 0 325.368 3.123 20 5 EGBDRO Cc1cc(N2CC[N@H+](C)[C@H](C(C)C)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000487082247 311010113 /nfs/dbraw/zinc/01/01/13/311010113.db2.gz GFGBQUFAGBWKJB-KRWDZBQOSA-N 1 0 328.416 3.228 20 5 EGBDRO C[NH+](C)Cc1ccccc1C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000487138676 311012032 /nfs/dbraw/zinc/01/20/32/311012032.db2.gz PDQAPBBOANATSI-UHFFFAOYSA-N 1 0 347.802 3.240 20 5 EGBDRO Cc1cc(N2CC[C@@]3(CC[N@@H+](C)C3)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000488764361 311079036 /nfs/dbraw/zinc/07/90/36/311079036.db2.gz GTHNLNAGZMBPDN-OAHLLOKOSA-N 1 0 343.349 3.454 20 5 EGBDRO CC[NH+](CC)CC1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000491335440 311174378 /nfs/dbraw/zinc/17/43/78/311174378.db2.gz OTJXBBXAJWREFX-JXMROGBWSA-N 1 0 345.443 3.188 20 5 EGBDRO CC[N@H+](CCNc1ncc(Cl)cc1[N+](=O)[O-])CCC(F)(F)F ZINC000491583368 311185630 /nfs/dbraw/zinc/18/56/30/311185630.db2.gz IWKCZBNBRFLQFF-UHFFFAOYSA-N 1 0 340.733 3.329 20 5 EGBDRO CCOC(=O)N(C)C1CC[NH+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000491759805 311188726 /nfs/dbraw/zinc/18/87/26/311188726.db2.gz SUPASFLBARALMU-CYBMUJFWSA-N 1 0 335.404 3.209 20 5 EGBDRO C[NH+](C)C1(CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CCCCC1 ZINC000492265688 311231632 /nfs/dbraw/zinc/23/16/32/311231632.db2.gz HIQYMSRYPOVQPQ-UHFFFAOYSA-N 1 0 344.415 3.070 20 5 EGBDRO CCCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000492817598 311294896 /nfs/dbraw/zinc/29/48/96/311294896.db2.gz LGWNCBQUWLXWQQ-QGPMSJSTSA-N 1 0 336.432 3.283 20 5 EGBDRO CCCC[C@H]1CCC[C@H]1[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000492846298 311298278 /nfs/dbraw/zinc/29/82/78/311298278.db2.gz IADBTBBDOUXIJM-WMLDXEAASA-N 1 0 345.443 3.432 20 5 EGBDRO C[N@H+](CC1CC1)C[C@H]1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000493211665 311343626 /nfs/dbraw/zinc/34/36/26/311343626.db2.gz QUOXIIDNOUCBKS-CQSZACIVSA-N 1 0 337.851 3.412 20 5 EGBDRO Cc1cscc1C[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000494489477 311483064 /nfs/dbraw/zinc/48/30/64/311483064.db2.gz AUVPQHPXXQELQY-GFCCVEGCSA-N 1 0 333.413 3.472 20 5 EGBDRO CC[C@@H](C)[C@@H](O)C[NH2+][C@H](CC)CSc1ccccc1[N+](=O)[O-] ZINC000504911110 312012369 /nfs/dbraw/zinc/01/23/69/312012369.db2.gz ANMKAAYEBOSICC-NFAWXSAZSA-N 1 0 326.462 3.462 20 5 EGBDRO CCOC(=O)C(C)(C)C1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000510106486 312132687 /nfs/dbraw/zinc/13/26/87/312132687.db2.gz SKUOEBMUVHGJNR-UHFFFAOYSA-N 1 0 334.416 3.396 20 5 EGBDRO COc1cccc(C2([NH2+]CCOc3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000510196590 312135196 /nfs/dbraw/zinc/13/51/96/312135196.db2.gz XBFUSKGUZHHVNS-UHFFFAOYSA-N 1 0 328.368 3.261 20 5 EGBDRO Cc1ccc(NC(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000510354100 312138954 /nfs/dbraw/zinc/13/89/54/312138954.db2.gz YUICPEHRSABBDT-KCQAQPDRSA-N 1 0 348.447 3.391 20 5 EGBDRO CC(=O)c1ccccc1OCC[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511139685 312155521 /nfs/dbraw/zinc/15/55/21/312155521.db2.gz RCXOQJNQFWKTJW-UHFFFAOYSA-N 1 0 342.395 3.351 20 5 EGBDRO CC[N@H+](Cc1cc(I)cc([N+](=O)[O-])c1)C(C)C ZINC000515559431 312289490 /nfs/dbraw/zinc/28/94/90/312289490.db2.gz ONHHWBFLBCIUNW-UHFFFAOYSA-N 1 0 348.184 3.430 20 5 EGBDRO CC(C)Oc1nc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000515671787 312293819 /nfs/dbraw/zinc/29/38/19/312293819.db2.gz XNAHDIFHXKYHND-AWEZNQCLSA-N 1 0 348.447 3.088 20 5 EGBDRO CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000516652685 312335687 /nfs/dbraw/zinc/33/56/87/312335687.db2.gz IEAAVOCZMVEYKW-CYBMUJFWSA-N 1 0 346.431 3.230 20 5 EGBDRO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)C(C)(C)C ZINC000517961616 312400023 /nfs/dbraw/zinc/40/00/23/312400023.db2.gz NNASXBRGHRRYLJ-NHYWBVRUSA-N 1 0 337.420 3.345 20 5 EGBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000521438223 312546147 /nfs/dbraw/zinc/54/61/47/312546147.db2.gz XNTBNWGNUPAOML-OLZOCXBDSA-N 1 0 342.399 3.194 20 5 EGBDRO COc1cc(N2CCC[N@@H+](C(C)(C)C)CC2)c(F)cc1[N+](=O)[O-] ZINC000535784214 314074258 /nfs/dbraw/zinc/07/42/58/314074258.db2.gz YFBXPZZHZHHMDV-UHFFFAOYSA-N 1 0 325.384 3.053 20 5 EGBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H](CO)Cc2ccco2)cc1[N+](=O)[O-] ZINC000536625656 314131982 /nfs/dbraw/zinc/13/19/82/314131982.db2.gz LYHGPCDUGRRHPD-KBPBESRZSA-N 1 0 348.399 3.088 20 5 EGBDRO COC(=O)[C@@H](c1ccccc1)N(C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000536683303 314138362 /nfs/dbraw/zinc/13/83/62/314138362.db2.gz VLBIYASHRNWNCH-RXNMKEHESA-N 1 0 340.379 3.454 20 5 EGBDRO Cc1ccc(C(=O)NCC[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000539067770 314294112 /nfs/dbraw/zinc/29/41/12/314294112.db2.gz IMQXOTLORWJKSZ-OAHLLOKOSA-N 1 0 341.411 3.292 20 5 EGBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)CCC(=O)N2 ZINC000540152971 314366066 /nfs/dbraw/zinc/36/60/66/314366066.db2.gz YBSIOFUSAAYWCH-CYBMUJFWSA-N 1 0 339.395 3.373 20 5 EGBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C1CCC(F)(F)CC1 ZINC000540153858 314366419 /nfs/dbraw/zinc/36/64/19/314366419.db2.gz LBNUHIAXTZTRCM-LLVKDONJSA-N 1 0 341.358 3.479 20 5 EGBDRO C[N@H+](CCC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)C1CCCCC1 ZINC000548392372 315003069 /nfs/dbraw/zinc/00/30/69/315003069.db2.gz QPTIQBTWXCAEAO-UHFFFAOYSA-N 1 0 345.443 3.134 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC(C)(C)[C@@H]2CCC[C@H]21 ZINC000550073730 315115340 /nfs/dbraw/zinc/11/53/40/315115340.db2.gz WUUOTQIIIRTRKS-ZIAGYGMSSA-N 1 0 331.416 3.352 20 5 EGBDRO COC(=O)CC1([NH2+]Cc2c(F)cc([N+](=O)[O-])cc2F)CCCCC1 ZINC000551969451 315183430 /nfs/dbraw/zinc/18/34/30/315183430.db2.gz VWJRXBBIAZNTMY-UHFFFAOYSA-N 1 0 342.342 3.229 20 5 EGBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@H](O)Cc1cccc(Cl)c1 ZINC000554251250 315304636 /nfs/dbraw/zinc/30/46/36/315304636.db2.gz MGMWEZMIHBZEKE-QGZVFWFLSA-N 1 0 348.830 3.326 20 5 EGBDRO Cc1ccc(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])cc1F ZINC000554527562 315328270 /nfs/dbraw/zinc/32/82/70/315328270.db2.gz TZASULFWIVCXPT-UHFFFAOYSA-N 1 0 331.347 3.161 20 5 EGBDRO CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000554599987 315337460 /nfs/dbraw/zinc/33/74/60/315337460.db2.gz PTRPCCNDQIPPDK-CQSZACIVSA-N 1 0 344.415 3.023 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCC(=O)N[C@H]1C(C)(C)C ZINC000560558134 315707680 /nfs/dbraw/zinc/70/76/80/315707680.db2.gz ODEZUSUPHJTCGS-XGWLTEMNSA-N 1 0 333.432 3.247 20 5 EGBDRO CC(C)c1ccc(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000561749672 315779829 /nfs/dbraw/zinc/77/98/29/315779829.db2.gz GIZBLNXZZGAEHA-KRWDZBQOSA-N 1 0 344.411 3.248 20 5 EGBDRO C[C@@H](C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000562300306 315815431 /nfs/dbraw/zinc/81/54/31/315815431.db2.gz QAWBFYWRLKKSAP-CJNGLKHVSA-N 1 0 335.448 3.181 20 5 EGBDRO O=C(CC1CCCCC1)NCC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000564667978 316185610 /nfs/dbraw/zinc/18/56/10/316185610.db2.gz OKHKYKBPCWNTFT-QGZVFWFLSA-N 1 0 345.443 3.258 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]Cc1cnn2ccccc12)C1CC1 ZINC000569950639 316988154 /nfs/dbraw/zinc/98/81/54/316988154.db2.gz WRBPXQQZGZISHQ-QGZVFWFLSA-N 1 0 336.395 3.353 20 5 EGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1CCN(Cc2ccccc2)C1 ZINC000570293715 317035414 /nfs/dbraw/zinc/03/54/14/317035414.db2.gz WRJJNVWWFMNSIF-LPHOPBHVSA-N 1 0 337.423 3.446 20 5 EGBDRO C[N@@H+]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])C[C@H]1Cc1ccccc1 ZINC000571174316 317162375 /nfs/dbraw/zinc/16/23/75/317162375.db2.gz MZQXQUMVUAHYBI-OAHLLOKOSA-N 1 0 346.818 3.006 20 5 EGBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@@H]2CCCc3sccc32)c1 ZINC000572632787 317367253 /nfs/dbraw/zinc/36/72/53/317367253.db2.gz SEULDGPWYJZGKZ-XJKSGUPXSA-N 1 0 348.424 3.063 20 5 EGBDRO C[C@@H]([NH2+]CCNC(=O)CC1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000173412915 323295554 /nfs/dbraw/zinc/29/55/54/323295554.db2.gz TUYLQQRUDMDAOS-CQSZACIVSA-N 1 0 333.432 3.332 20 5 EGBDRO C[C@H]([NH2+]CC(=O)Nc1cc(F)ccc1F)c1cccc([N+](=O)[O-])c1 ZINC000180415876 323439013 /nfs/dbraw/zinc/43/90/13/323439013.db2.gz FJEKDGREYVSEPY-JTQLQIEISA-N 1 0 335.310 3.162 20 5 EGBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000290836910 456442133 /nfs/dbraw/zinc/44/21/33/456442133.db2.gz INDBGRIREIJFHB-SNVBAGLBSA-N 1 0 344.242 3.476 20 5 EGBDRO CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000580425151 325248927 /nfs/dbraw/zinc/24/89/27/325248927.db2.gz OMCSGYVMBVCURJ-ZDUSSCGKSA-N 1 0 344.415 3.023 20 5 EGBDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3ccc4c(c3)CCC4)CC2)n1 ZINC000580611515 325272795 /nfs/dbraw/zinc/27/27/95/325272795.db2.gz OKURHIKWJFXVPB-UHFFFAOYSA-N 1 0 326.400 3.117 20 5 EGBDRO CC[N@@H+]1CC[C@H](CN[C@@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)C1 ZINC000580956273 325313996 /nfs/dbraw/zinc/31/39/96/325313996.db2.gz PIAVYQAXTKBWEI-RISCZKNCSA-N 1 0 331.338 3.130 20 5 EGBDRO C[NH2+][C@@H](CC(C)(C)C)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000581887167 325396625 /nfs/dbraw/zinc/39/66/25/325396625.db2.gz HAZQPPJRWZKNDM-INIZCTEOSA-N 1 0 333.432 3.110 20 5 EGBDRO C[C@@H]1CC(CC[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000583139936 325498382 /nfs/dbraw/zinc/49/83/82/325498382.db2.gz GIDNUAVLOAGULB-ZIAGYGMSSA-N 1 0 349.431 3.107 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)c1 ZINC000173012864 455218993 /nfs/dbraw/zinc/21/89/93/455218993.db2.gz HKSFOOFYGPXSRY-OAHLLOKOSA-N 1 0 341.411 3.154 20 5 EGBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000264497065 455224920 /nfs/dbraw/zinc/22/49/20/455224920.db2.gz USRMEGIHPYIDES-UHFFFAOYSA-N 1 0 326.400 3.011 20 5 EGBDRO COc1ccc2c(c1)CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)C2 ZINC000612194022 460563666 /nfs/dbraw/zinc/56/36/66/460563666.db2.gz JRKSCJXANCGGBE-HNNXBMFYSA-N 1 0 330.359 3.390 20 5 EGBDRO CC1(c2cccc(-c3cc([N+](=O)[O-])ccc3CO)c2)CC[NH2+]CC1 ZINC000600780083 460601253 /nfs/dbraw/zinc/60/12/53/460601253.db2.gz IRNYEGPYSWXCNR-UHFFFAOYSA-N 1 0 326.396 3.395 20 5 EGBDRO COC(=O)c1ccc(-c2cccc([C@H]3CCC[NH2+]3)c2)c([N+](=O)[O-])c1 ZINC000600786144 460603009 /nfs/dbraw/zinc/60/30/09/460603009.db2.gz NSPKQWHADKFZHP-MRXNPFEDSA-N 1 0 326.352 3.473 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+](CC(C)C)CC(C)C ZINC000026647000 453803175 /nfs/dbraw/zinc/80/31/75/453803175.db2.gz YVVQJAFVYASAHC-UHFFFAOYSA-N 1 0 337.420 3.156 20 5 EGBDRO CCOc1ccc(NC(=O)C[N@H+](CC(C)C)C2CC2)c([N+](=O)[O-])c1 ZINC000027110336 453811180 /nfs/dbraw/zinc/81/11/80/453811180.db2.gz UROJMKOUTIFDIK-UHFFFAOYSA-N 1 0 335.404 3.052 20 5 EGBDRO CC[NH+](CC)[C@H](CNC(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000029166110 453826875 /nfs/dbraw/zinc/82/68/75/453826875.db2.gz ZVSZJLOGHSNCLJ-CQSZACIVSA-N 1 0 347.440 3.469 20 5 EGBDRO CCC(CC)[C@@H](CNc1nc2sccn2c1[N+](=O)[O-])[NH+](C)C ZINC000029873794 453832308 /nfs/dbraw/zinc/83/23/08/453832308.db2.gz RBJKAVNHRFCJIS-LLVKDONJSA-N 1 0 325.438 3.082 20 5 EGBDRO CC(C)C[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccccc1 ZINC000181790815 455382555 /nfs/dbraw/zinc/38/25/55/455382555.db2.gz DDNWMBBFCWDTTL-KRWDZBQOSA-N 1 0 329.400 3.134 20 5 EGBDRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(C)c1)c1ccco1 ZINC000067276691 453917429 /nfs/dbraw/zinc/91/74/29/453917429.db2.gz HCPRZSVJGYDWIX-INIZCTEOSA-N 1 0 345.399 3.309 20 5 EGBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000265811525 455385126 /nfs/dbraw/zinc/38/51/26/455385126.db2.gz PMSOWRCLEVRZIQ-HNNXBMFYSA-N 1 0 347.459 3.109 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCC[C@@H]4CCC[C@@H]43)n2)c1 ZINC000075769430 453926179 /nfs/dbraw/zinc/92/61/79/453926179.db2.gz UOTROFSSKYPMDG-WFASDCNBSA-N 1 0 328.372 3.409 20 5 EGBDRO O=[N+]([O-])c1ccc2oc(CN3CCC([NH+]4CCCCC4)CC3)nc2c1 ZINC000083169527 453940444 /nfs/dbraw/zinc/94/04/44/453940444.db2.gz TXJSWJOIQFNISZ-UHFFFAOYSA-N 1 0 344.415 3.186 20 5 EGBDRO CC(C)CCO[C@@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000083247023 453946587 /nfs/dbraw/zinc/94/65/87/453946587.db2.gz IXUIVCIUFMYMMC-QGZVFWFLSA-N 1 0 349.431 3.060 20 5 EGBDRO O=C(C[N@@H+]1CCC[C@H]1C1CCCC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000055927614 454026142 /nfs/dbraw/zinc/02/61/42/454026142.db2.gz DOZTUHGJTHSIJY-KRWDZBQOSA-N 1 0 343.427 3.139 20 5 EGBDRO CC1CC[NH+](Cc2ccccc2CNc2c([N+](=O)[O-])ncn2C)CC1 ZINC000076777026 454035676 /nfs/dbraw/zinc/03/56/76/454035676.db2.gz QLZOFEDEBQUHDJ-UHFFFAOYSA-N 1 0 343.431 3.172 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000085636744 454035832 /nfs/dbraw/zinc/03/58/32/454035832.db2.gz PAXGDWHLXFJCOL-OAHLLOKOSA-N 1 0 346.431 3.304 20 5 EGBDRO C[NH+](C)[C@H](CNC(=O)CCc1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000086998145 454055242 /nfs/dbraw/zinc/05/52/42/454055242.db2.gz NLUFMTNZJVFKBF-OAHLLOKOSA-N 1 0 347.440 3.008 20 5 EGBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccc(F)c(F)c1 ZINC000044438857 454101143 /nfs/dbraw/zinc/10/11/43/454101143.db2.gz FDRONMRILDTHBD-UHFFFAOYSA-N 1 0 349.337 3.334 20 5 EGBDRO COc1cccc2c1CC[C@@H]2[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000089580955 454163055 /nfs/dbraw/zinc/16/30/55/454163055.db2.gz FLXHPGPQSJKRBZ-KRWDZBQOSA-N 1 0 328.368 3.259 20 5 EGBDRO C[C@H](CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)[N@@H+]1CCCC[C@H]1C ZINC000058231045 454173344 /nfs/dbraw/zinc/17/33/44/454173344.db2.gz ONIKLFIHZHADFJ-CHWSQXEVSA-N 1 0 344.415 3.069 20 5 EGBDRO CCc1nn(C)c(NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000094153399 454190002 /nfs/dbraw/zinc/19/00/02/454190002.db2.gz BKFYFEOXYIBUCI-CQSZACIVSA-N 1 0 347.419 3.041 20 5 EGBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000058365385 454193685 /nfs/dbraw/zinc/19/36/85/454193685.db2.gz FBHRQYRVTITADV-JKIFEVAISA-N 1 0 331.416 3.072 20 5 EGBDRO Cn1ccnc1C[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000119576591 454205130 /nfs/dbraw/zinc/20/51/30/454205130.db2.gz UWBGKSTWQWVFAM-ZDUSSCGKSA-N 1 0 348.834 3.436 20 5 EGBDRO CCCCC[N@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C(C)C ZINC000046017995 454207628 /nfs/dbraw/zinc/20/76/28/454207628.db2.gz HVRVICLDJDXAAQ-UHFFFAOYSA-N 1 0 337.420 3.443 20 5 EGBDRO CC[NH+](CC)[C@H]1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000089907066 454232086 /nfs/dbraw/zinc/23/20/86/454232086.db2.gz WJFHPDSFQIEWJO-KRWDZBQOSA-N 1 0 344.415 3.166 20 5 EGBDRO C[N@H+](CCOc1ccc(F)cc1)CCOc1cccc([N+](=O)[O-])c1 ZINC000058932491 454245881 /nfs/dbraw/zinc/24/58/81/454245881.db2.gz OKFYXNVPLWTAJS-UHFFFAOYSA-N 1 0 334.347 3.124 20 5 EGBDRO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)NCCc1cccs1 ZINC000071902524 454249118 /nfs/dbraw/zinc/24/91/18/454249118.db2.gz NJNFFEDDUDDCPF-CHWSQXEVSA-N 1 0 347.440 3.054 20 5 EGBDRO Cc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000078429099 454252019 /nfs/dbraw/zinc/25/20/19/454252019.db2.gz XFKKCZQNOYANKZ-UHFFFAOYSA-N 1 0 341.411 3.107 20 5 EGBDRO O=[N+]([O-])c1ccc(NCCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000078601338 454283364 /nfs/dbraw/zinc/28/33/64/454283364.db2.gz SEKZGMMMQDNWCO-UHFFFAOYSA-N 1 0 340.427 3.219 20 5 EGBDRO CCOc1ccc([C@@H](C)[NH2+][C@H]2CC(=O)N(C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000090177973 454289269 /nfs/dbraw/zinc/28/92/69/454289269.db2.gz CGXKRSSOLJNMQN-OCCSQVGLSA-N 1 0 349.431 3.044 20 5 EGBDRO Cc1cnc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)c([N+](=O)[O-])c1 ZINC000078659171 454293362 /nfs/dbraw/zinc/29/33/62/454293362.db2.gz PZAIURAUFROGQM-INIZCTEOSA-N 1 0 332.448 3.391 20 5 EGBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1cccc(Cl)c1Cl ZINC000090539236 454318934 /nfs/dbraw/zinc/31/89/34/454318934.db2.gz HVWDNYAHPNTCAS-VIFPVBQESA-N 1 0 329.187 3.449 20 5 EGBDRO C[C@H]1CCC[N@H+](CCNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000047147932 454333693 /nfs/dbraw/zinc/33/36/93/454333693.db2.gz WDYOEMFIVHXEDQ-LBPRGKRZSA-N 1 0 347.440 3.271 20 5 EGBDRO Cc1cc(C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000047187637 454337489 /nfs/dbraw/zinc/33/74/89/454337489.db2.gz IGFMLAVSWDTTHV-HNNXBMFYSA-N 1 0 333.432 3.288 20 5 EGBDRO Cn1cc(C[NH2+]C[C@]2(C)CCCS2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000133628614 454447313 /nfs/dbraw/zinc/44/73/13/454447313.db2.gz QBOCWARSXKSUNO-KRWDZBQOSA-N 1 0 346.456 3.371 20 5 EGBDRO COc1ccc(NC(=O)[C@H](C)[N@H+](C)CC2CCCC2)c([N+](=O)[O-])c1 ZINC000064020898 454464142 /nfs/dbraw/zinc/46/41/42/454464142.db2.gz IYQWINDVRPCYHL-LBPRGKRZSA-N 1 0 335.404 3.052 20 5 EGBDRO CCOc1ccc([C@H](C)[NH2+]Cc2cn(C)nc2CC)cc1[N+](=O)[O-] ZINC000091742163 454465852 /nfs/dbraw/zinc/46/58/52/454465852.db2.gz LRZOZWQCCIPUEQ-LBPRGKRZSA-N 1 0 332.404 3.140 20 5 EGBDRO Cn1cc(CC[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)cn1 ZINC000102423720 454504326 /nfs/dbraw/zinc/50/43/26/454504326.db2.gz PDNWYTPILAKPBI-UHFFFAOYSA-N 1 0 342.424 3.389 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2csc([C@H]3C[N@@H+]4CCC[C@@H]4CO3)n2)cc1 ZINC000102662724 454515168 /nfs/dbraw/zinc/51/51/68/454515168.db2.gz RVCIHMAGIYEKMH-UKRRQHHQSA-N 1 0 331.397 3.254 20 5 EGBDRO Cc1c(NC(=O)CC[N@@H+](C)Cc2ccsc2)cccc1[N+](=O)[O-] ZINC000122341130 454525372 /nfs/dbraw/zinc/52/53/72/454525372.db2.gz UXDQFLDPZNZZLV-UHFFFAOYSA-N 1 0 333.413 3.425 20 5 EGBDRO CC(C)C1CCC([NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)CC1 ZINC000175504166 455455936 /nfs/dbraw/zinc/45/59/36/455455936.db2.gz MNUUICWBPBIVEY-UHFFFAOYSA-N 1 0 349.431 3.160 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[N@@H+](CCCO)[C@H]1CCc2ccccc21 ZINC000074312643 454561110 /nfs/dbraw/zinc/56/11/10/454561110.db2.gz BINPMCJAGHNEQX-IBGZPJMESA-N 1 0 326.396 3.467 20 5 EGBDRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000122793995 454569845 /nfs/dbraw/zinc/56/98/45/454569845.db2.gz FRMJKHCPULYUHZ-HUUCEWRRSA-N 1 0 335.404 3.130 20 5 EGBDRO COCCC[N@H+](C)Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000092537222 454582597 /nfs/dbraw/zinc/58/25/97/454582597.db2.gz IIEZCQGWSBIMNY-UHFFFAOYSA-N 1 0 334.372 3.332 20 5 EGBDRO C[N@H+](CCNc1ccc([N+](=O)[O-])c(OC(F)F)c1)C1CCCC1 ZINC000092650492 454601016 /nfs/dbraw/zinc/60/10/16/454601016.db2.gz YSKPKILAPMXBII-UHFFFAOYSA-N 1 0 329.347 3.483 20 5 EGBDRO Cc1cc(C(=O)N(CC[NH+](C)C)Cc2ccccc2)cc([N+](=O)[O-])c1 ZINC000123172722 454610323 /nfs/dbraw/zinc/61/03/23/454610323.db2.gz FWIVQLLAKLUATH-UHFFFAOYSA-N 1 0 341.411 3.107 20 5 EGBDRO CN(c1ncccc1[N+](=O)[O-])[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000074775019 454633265 /nfs/dbraw/zinc/63/32/65/454633265.db2.gz APOAATCUTDBQJM-MRXNPFEDSA-N 1 0 326.400 3.091 20 5 EGBDRO O=C(NC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1)C1CCCCC1 ZINC000065963073 454645699 /nfs/dbraw/zinc/64/56/99/454645699.db2.gz TUFILBPXBUWGCD-UHFFFAOYSA-N 1 0 345.443 3.256 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)Cc1cccc(O)c1 ZINC000080920566 454648210 /nfs/dbraw/zinc/64/82/10/454648210.db2.gz GKQWGTQQCYRGJJ-UHFFFAOYSA-N 1 0 343.383 3.069 20 5 EGBDRO CC[C@H](O)CC[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000124365296 454724094 /nfs/dbraw/zinc/72/40/94/454724094.db2.gz FIUNUXOIVWMJIT-LBPRGKRZSA-N 1 0 334.372 3.114 20 5 EGBDRO Cc1cccc(OC[C@H](O)C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000152886843 454737220 /nfs/dbraw/zinc/73/72/20/454737220.db2.gz IZBSVEHQQMMNSA-NVXWUHKLSA-N 1 0 344.411 3.302 20 5 EGBDRO NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000162000866 454744858 /nfs/dbraw/zinc/74/48/58/454744858.db2.gz YNOQWLULNLAYAG-HNNXBMFYSA-N 1 0 345.424 3.163 20 5 EGBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000152983096 454749785 /nfs/dbraw/zinc/74/97/85/454749785.db2.gz ZGIYHALWKCBWCA-VXGBXAGGSA-N 1 0 349.456 3.062 20 5 EGBDRO CCOc1ccc([C@H](C)[NH2+]CCOCC(F)(F)F)cc1[N+](=O)[O-] ZINC000153273382 454776885 /nfs/dbraw/zinc/77/68/85/454776885.db2.gz MJIHAUKWQYJDSB-JTQLQIEISA-N 1 0 336.310 3.223 20 5 EGBDRO Cc1cc(C)c(OC[C@@H](O)C[N@@H+](C)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000153651602 454817463 /nfs/dbraw/zinc/81/74/63/454817463.db2.gz SSBHHFUPLXTFIJ-KRWDZBQOSA-N 1 0 344.411 3.083 20 5 EGBDRO CC[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000163347003 454840947 /nfs/dbraw/zinc/84/09/47/454840947.db2.gz WKCOTZOPSZRPTM-JSGCOSHPSA-N 1 0 335.404 3.100 20 5 EGBDRO Cc1cccc(C(=O)NC2CC[NH+](C3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000177257507 454843232 /nfs/dbraw/zinc/84/32/32/454843232.db2.gz SSHZSTSUTRIVDX-UHFFFAOYSA-N 1 0 345.443 3.430 20 5 EGBDRO C[NH+](C)CCC1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000163420369 454846323 /nfs/dbraw/zinc/84/63/23/454846323.db2.gz MLEQLQGIINAQAC-UHFFFAOYSA-N 1 0 325.840 3.412 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000177419263 454862442 /nfs/dbraw/zinc/86/24/42/454862442.db2.gz RHSNUOYFCLNLRW-UHFFFAOYSA-N 1 0 331.416 3.040 20 5 EGBDRO COc1ccc(CN(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1O ZINC000154309012 454883940 /nfs/dbraw/zinc/88/39/40/454883940.db2.gz RWRPLZQCEABWNM-UHFFFAOYSA-N 1 0 328.368 3.474 20 5 EGBDRO CSCC[C@@H](C)[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000126584753 454904216 /nfs/dbraw/zinc/90/42/16/454904216.db2.gz LBNKIJIFJMUTTA-CYBMUJFWSA-N 1 0 339.461 3.305 20 5 EGBDRO CC[C@@H]([NH2+]C[C@H](O)COc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000177797774 454906639 /nfs/dbraw/zinc/90/66/39/454906639.db2.gz NZXBAIPJDKMXQA-FUHWJXTLSA-N 1 0 330.384 3.075 20 5 EGBDRO CSCC[C@H](C)[N@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000126655921 454908958 /nfs/dbraw/zinc/90/89/58/454908958.db2.gz WPNWUPKWHQITAI-JTQLQIEISA-N 1 0 345.852 3.260 20 5 EGBDRO CC[NH+](CC)CCC[C@H](C)Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000170639207 454946294 /nfs/dbraw/zinc/94/62/94/454946294.db2.gz CSHXYPUYUCASLC-ZDUSSCGKSA-N 1 0 348.447 3.402 20 5 EGBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@](O)(c2ccccc2)C(F)(F)F)c1 ZINC000170790875 454977665 /nfs/dbraw/zinc/97/76/65/454977665.db2.gz ACITZFYITKRTER-OAHLLOKOSA-N 1 0 340.301 3.135 20 5 EGBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@](O)(c2ccccc2)C(F)(F)F)c1 ZINC000170790874 454978146 /nfs/dbraw/zinc/97/81/46/454978146.db2.gz ACITZFYITKRTER-HNNXBMFYSA-N 1 0 340.301 3.135 20 5 EGBDRO O=[N+]([O-])c1cc(F)c(NC2CC[NH+](Cc3ccncc3)CC2)c(F)c1 ZINC000178869701 454986415 /nfs/dbraw/zinc/98/64/15/454986415.db2.gz QFFXQOIICGAGBN-UHFFFAOYSA-N 1 0 348.353 3.345 20 5 EGBDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000115636350 455024066 /nfs/dbraw/zinc/02/40/66/455024066.db2.gz MBEAKRVFAWILLM-NSHDSACASA-N 1 0 340.811 3.054 20 5 EGBDRO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000179701738 455069028 /nfs/dbraw/zinc/06/90/28/455069028.db2.gz YZMCHKYZSDSHCB-OAHLLOKOSA-N 1 0 333.432 3.076 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)cc1 ZINC000152271832 455095528 /nfs/dbraw/zinc/09/55/28/455095528.db2.gz NJLVRRFZCDOUCG-OAHLLOKOSA-N 1 0 341.415 3.012 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000172438483 455154002 /nfs/dbraw/zinc/15/40/02/455154002.db2.gz XGWLQAIKGMMOQZ-UHFFFAOYSA-N 1 0 346.431 3.385 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H]1C1CCC1 ZINC000264029953 455186705 /nfs/dbraw/zinc/18/67/05/455186705.db2.gz ZRMDZSVDULDXCD-MRXNPFEDSA-N 1 0 347.415 3.197 20 5 EGBDRO CCOC(=O)N1CCC([C@H](C)[NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000189371957 455187003 /nfs/dbraw/zinc/18/70/03/455187003.db2.gz OIOQUSDNAWETGD-NSHDSACASA-N 1 0 341.433 3.003 20 5 EGBDRO CCC[N@H+](C)C[C@H]1CCN(c2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000172788127 455187661 /nfs/dbraw/zinc/18/76/61/455187661.db2.gz CDWNYJFYIFZQKA-CQSZACIVSA-N 1 0 328.416 3.311 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1CN1CCC[C@H]1c1c(C)n[nH]c1C ZINC000180527356 455189801 /nfs/dbraw/zinc/18/98/01/455189801.db2.gz JQPJRWIWETYKGX-HNNXBMFYSA-N 1 0 330.388 3.280 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1[C@H](C)C[C@H]2CCCC[C@H]21 ZINC000245443486 455302072 /nfs/dbraw/zinc/30/20/72/455302072.db2.gz IUBHXQGBCHRQGO-CKEIUWERSA-N 1 0 331.416 3.495 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@@H](CNC(=O)C(C)C)C1 ZINC000245518048 455319291 /nfs/dbraw/zinc/31/92/91/455319291.db2.gz HGQSIYDKQMKHSJ-CVEARBPZSA-N 1 0 347.459 3.448 20 5 EGBDRO CC[N@H+](CCO)Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000158670425 455320308 /nfs/dbraw/zinc/32/03/08/455320308.db2.gz BMHKFZKJFPPPIT-UHFFFAOYSA-N 1 0 334.347 3.340 20 5 EGBDRO C[C@H](CO[C@@H]1CCOC1)[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000245520786 455320936 /nfs/dbraw/zinc/32/09/36/455320936.db2.gz BXSLTZGICOQMJQ-ATLSCFEFSA-N 1 0 348.443 3.090 20 5 EGBDRO C[C@@H](C(=O)NCc1ccc([N+](=O)[O-])cc1Cl)[NH+]1[C@H](C)CC[C@H]1C ZINC000183850923 455333436 /nfs/dbraw/zinc/33/34/36/455333436.db2.gz XVZKWBYTGDUXCB-UTUOFQBUSA-N 1 0 339.823 3.126 20 5 EGBDRO Cc1ccc(NC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000174186249 455368291 /nfs/dbraw/zinc/36/82/91/455368291.db2.gz ZZQCQOXYKUNVDP-OAHLLOKOSA-N 1 0 334.420 3.241 20 5 EGBDRO C[C@](O)(C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])c1ccsc1 ZINC000265894753 455401193 /nfs/dbraw/zinc/40/11/93/455401193.db2.gz SJGJGVMGNPECOA-AWEZNQCLSA-N 1 0 326.805 3.307 20 5 EGBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000184685721 455427813 /nfs/dbraw/zinc/42/78/13/455427813.db2.gz PNTRRAUTJKTRFK-DOTOQJQBSA-N 1 0 347.459 3.154 20 5 EGBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC[C@H]1C[NH+](C)C ZINC000184756774 455442645 /nfs/dbraw/zinc/44/26/45/455442645.db2.gz NHZWUVIORSEYOT-AEFFLSMTSA-N 1 0 347.459 3.106 20 5 EGBDRO COc1ccc([C@H]2CCC[N@@H+]2C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000246272504 455461852 /nfs/dbraw/zinc/46/18/52/455461852.db2.gz MKLSXQTYRQTNBM-RTBURBONSA-N 1 0 342.395 3.474 20 5 EGBDRO Cc1cnc([C@@H](C)[NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)s1 ZINC000185014395 455486741 /nfs/dbraw/zinc/48/67/41/455486741.db2.gz KOCRGBSKLPDKDJ-GFCCVEGCSA-N 1 0 348.428 3.348 20 5 EGBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2c1ccc([N+](=O)[O-])c2cnccc21 ZINC000267534814 455553314 /nfs/dbraw/zinc/55/33/14/455553314.db2.gz MREZKCKFGQAYLK-KGLIPLIRSA-N 1 0 326.400 3.206 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000182658900 455561784 /nfs/dbraw/zinc/56/17/84/455561784.db2.gz NLCYSFPBENCQJF-HOCLYGCPSA-N 1 0 345.443 3.202 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000182658882 455561812 /nfs/dbraw/zinc/56/18/12/455561812.db2.gz NLCYSFPBENCQJF-ZBFHGGJFSA-N 1 0 345.443 3.202 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCS[C@@H](C)CC1 ZINC000192176440 455569213 /nfs/dbraw/zinc/56/92/13/455569213.db2.gz BATOFTANYQQHFL-ZDUSSCGKSA-N 1 0 337.445 3.059 20 5 EGBDRO CC(=O)c1ccc(NCCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000267973793 455573148 /nfs/dbraw/zinc/57/31/48/455573148.db2.gz WHKQDTFGQNNQTB-KBPBESRZSA-N 1 0 349.431 3.099 20 5 EGBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H]3CCCC[C@H]3C2)c2c(c1)COCO2 ZINC000247331288 455589034 /nfs/dbraw/zinc/58/90/34/455589034.db2.gz OWNFGBDPRXJRJZ-KGLIPLIRSA-N 1 0 332.400 3.473 20 5 EGBDRO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000247399064 455595828 /nfs/dbraw/zinc/59/58/28/455595828.db2.gz QYKCGLHHTFZBHP-SMDDNHRTSA-N 1 0 347.440 3.268 20 5 EGBDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ncc([N+](=O)[O-])s1 ZINC000192471890 455625234 /nfs/dbraw/zinc/62/52/34/455625234.db2.gz HBNWZUFRDKCWOE-CQSZACIVSA-N 1 0 332.429 3.010 20 5 EGBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(S(C)(=O)=O)cc1 ZINC000192543229 455638857 /nfs/dbraw/zinc/63/88/57/455638857.db2.gz LIGXVPFVXZIHQU-OLZOCXBDSA-N 1 0 348.424 3.410 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)[C@@H]1OCCc2sccc21 ZINC000292363999 455641830 /nfs/dbraw/zinc/64/18/30/455641830.db2.gz IJKGLEIMRMQJPK-GTNSWQLSSA-N 1 0 348.424 3.457 20 5 EGBDRO COc1ccc(OCC[N@@H+]2CCC[C@@H](CSC)C2)c([N+](=O)[O-])c1 ZINC000292502105 455680259 /nfs/dbraw/zinc/68/02/59/455680259.db2.gz USDIZVXVDKBVGX-CYBMUJFWSA-N 1 0 340.445 3.057 20 5 EGBDRO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)[C@H]1OCCc2sccc21 ZINC000292548983 455694525 /nfs/dbraw/zinc/69/45/25/455694525.db2.gz YIYKNHZVCAHMCL-YVEFUNNKSA-N 1 0 348.424 3.327 20 5 EGBDRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000186112736 455695549 /nfs/dbraw/zinc/69/55/49/455695549.db2.gz VVCGOQKKTREMRN-HNNXBMFYSA-N 1 0 348.447 3.001 20 5 EGBDRO Cc1nc(NC2CC[NH+](Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000268518585 455705356 /nfs/dbraw/zinc/70/53/56/455705356.db2.gz UNQPVXNAAMVQPU-UHFFFAOYSA-N 1 0 326.400 3.375 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H]1CCCO[C@@H]1CC(C)C ZINC000186309273 455739803 /nfs/dbraw/zinc/73/98/03/455739803.db2.gz MBSVQTUIPUORTN-DOTOQJQBSA-N 1 0 349.431 3.025 20 5 EGBDRO Cc1ccc(NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c([N+](=O)[O-])c1 ZINC000268953790 455743024 /nfs/dbraw/zinc/74/30/24/455743024.db2.gz JBABCLGULVZUOU-WMZOPIPTSA-N 1 0 333.432 3.083 20 5 EGBDRO C[N@H+]1CC=C(CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000271780033 455757008 /nfs/dbraw/zinc/75/70/08/455757008.db2.gz DHPTVOPQFGSFIC-UHFFFAOYSA-N 1 0 344.440 3.070 20 5 EGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@](C)(O)c1ccsc1 ZINC000269005397 455760229 /nfs/dbraw/zinc/76/02/29/455760229.db2.gz QLPCQIFZLKTPMP-CXAGYDPISA-N 1 0 334.441 3.475 20 5 EGBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@H](O)c1c(F)cccc1F ZINC000285387783 455834929 /nfs/dbraw/zinc/83/49/29/455834929.db2.gz SDDWDEQCVWCIOG-INIZCTEOSA-N 1 0 336.338 3.081 20 5 EGBDRO Cc1c(C(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000187248722 455887050 /nfs/dbraw/zinc/88/70/50/455887050.db2.gz JTDUXLLYKYAOMM-KDOFPFPSSA-N 1 0 341.411 3.324 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000187264151 455889126 /nfs/dbraw/zinc/88/91/26/455889126.db2.gz ANUIHNDNGYOLFW-KSSFIOAISA-N 1 0 341.411 3.324 20 5 EGBDRO COc1cc(C[NH2+][C@H](C)C2CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272391954 455936170 /nfs/dbraw/zinc/93/61/70/455936170.db2.gz IZRHJYRKMFKSPL-SECBINFHSA-N 1 0 330.331 3.135 20 5 EGBDRO Cc1ccc([C@@H](C)[N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)c(C)c1 ZINC000270555092 455982251 /nfs/dbraw/zinc/98/22/51/455982251.db2.gz IIDGHROMNPGIEP-OAHLLOKOSA-N 1 0 329.400 3.066 20 5 EGBDRO CN(c1ccc2cc([N+](=O)[O-])ccc2n1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000286217837 456001891 /nfs/dbraw/zinc/00/18/91/456001891.db2.gz BXHBESGPHSBTNT-MZBDJJRSSA-N 1 0 326.400 3.204 20 5 EGBDRO CO[C@]1(C)CCC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000280582487 456004944 /nfs/dbraw/zinc/00/49/44/456004944.db2.gz SWTMPDFZXWDEAV-QGZVFWFLSA-N 1 0 346.387 3.036 20 5 EGBDRO CC[C@H]1CO[C@H](C)CN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000270672401 456011811 /nfs/dbraw/zinc/01/18/11/456011811.db2.gz XKXAXICKJXKUBN-DOMZBBRYSA-N 1 0 331.372 3.249 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CC[C@@H](COc3ccccc3)C2)c1 ZINC000272608445 456012722 /nfs/dbraw/zinc/01/27/22/456012722.db2.gz RZCGITCEJUEEQP-BEFAXECRSA-N 1 0 342.395 3.029 20 5 EGBDRO CN(CC[C@H]1CCCC[N@@H+]1C)c1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000301424752 456112966 /nfs/dbraw/zinc/11/29/66/456112966.db2.gz DDSLFDXBCFKTIQ-OAHLLOKOSA-N 1 0 328.416 3.454 20 5 EGBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](CO)c2ccccc2)cc1[N+](=O)[O-] ZINC000271110756 456129355 /nfs/dbraw/zinc/12/93/55/456129355.db2.gz HIBWJTDZPYLDJJ-BBRMVZONSA-N 1 0 330.384 3.378 20 5 EGBDRO C[C@@H](C[NH+]1CCCCC1)Nc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000301513489 456133861 /nfs/dbraw/zinc/13/38/61/456133861.db2.gz JENARCXJZJLKPF-NSHDSACASA-N 1 0 329.347 3.483 20 5 EGBDRO C[C@@H]1C[NH+](CCCCNc2ccc([N+](=O)[O-])cc2F)C[C@@H](C)O1 ZINC000301543645 456142522 /nfs/dbraw/zinc/14/25/22/456142522.db2.gz DESXHXNAMREPKY-CHWSQXEVSA-N 1 0 325.384 3.035 20 5 EGBDRO CC(C)(NC(=O)CC[C@H]([NH3+])c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000236656263 456163911 /nfs/dbraw/zinc/16/39/11/456163911.db2.gz ZFPVETNMNYOFRG-KRWDZBQOSA-N 1 0 341.411 3.426 20 5 EGBDRO C[NH+](C)[C@@H]1CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000289882265 456167175 /nfs/dbraw/zinc/16/71/75/456167175.db2.gz ZQCMKJGCMYMFPW-LLVKDONJSA-N 1 0 340.811 3.196 20 5 EGBDRO CC(C)C[C@@H](CNc1ncc(Br)cc1[N+](=O)[O-])[NH+](C)C ZINC000301630820 456168735 /nfs/dbraw/zinc/16/87/35/456168735.db2.gz BIROJOYXAVAEDN-NSHDSACASA-N 1 0 345.241 3.141 20 5 EGBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CN(C3CC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000271203324 456172352 /nfs/dbraw/zinc/17/23/52/456172352.db2.gz ZSHAHOBOKOVLOT-DVOMOZLQSA-N 1 0 333.432 3.127 20 5 EGBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C[C@H](C)C1CC[NH2+]CC1 ZINC000236797009 456185153 /nfs/dbraw/zinc/18/51/53/456185153.db2.gz PXQVFVSZKICRNE-HNNXBMFYSA-N 1 0 347.459 3.358 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@@H](O)C(F)(F)F)s1 ZINC000263800799 456226621 /nfs/dbraw/zinc/22/66/21/456226621.db2.gz JYQHIZKUTUABJO-CYBMUJFWSA-N 1 0 346.330 3.336 20 5 EGBDRO Cc1cc(NC[C@@H]2CCC[N@@H+](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301839006 456230084 /nfs/dbraw/zinc/23/00/84/456230084.db2.gz XFPDOPFROIGQMA-AWEZNQCLSA-N 1 0 341.415 3.114 20 5 EGBDRO Cc1cc(Cc2noc(C3CC[NH+](C4CC4)CC3)n2)ccc1[N+](=O)[O-] ZINC000290073021 456231763 /nfs/dbraw/zinc/23/17/63/456231763.db2.gz LIQSIFNFKHWONP-UHFFFAOYSA-N 1 0 342.399 3.219 20 5 EGBDRO Cc1cc(N[C@H]2CC(=O)N(C(C)(C)C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302209276 456317849 /nfs/dbraw/zinc/31/78/49/456317849.db2.gz XXXJERFOKURXQP-LBPRGKRZSA-N 1 0 342.399 3.263 20 5 EGBDRO C[C@@H](CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)[N@@H+]1CCCC[C@H]1C ZINC000342926023 456318570 /nfs/dbraw/zinc/31/85/70/456318570.db2.gz OIPIJWLBRRBRGG-OLZOCXBDSA-N 1 0 344.415 3.069 20 5 EGBDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342928356 456319691 /nfs/dbraw/zinc/31/96/91/456319691.db2.gz NBCAQTOQOYTMAN-CYBMUJFWSA-N 1 0 344.415 3.023 20 5 EGBDRO CN1CC[NH+](CCC(C)(C)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000302239756 456326727 /nfs/dbraw/zinc/32/67/27/456326727.db2.gz HMKYBSGHOXGPQG-UHFFFAOYSA-N 1 0 340.855 3.076 20 5 EGBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCN(c2ccccn2)CC1 ZINC000302786936 456400007 /nfs/dbraw/zinc/40/00/07/456400007.db2.gz WLNGOHPITHBHQH-UHFFFAOYSA-N 1 0 332.791 3.278 20 5 EGBDRO CO[C@H]1CCN(Cc2ccc(Br)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000282123033 456418465 /nfs/dbraw/zinc/41/84/65/456418465.db2.gz AWTKYGFZYPBOFR-JQWIXIFHSA-N 1 0 343.221 3.357 20 5 EGBDRO CCC(O)(CC)CC[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000276228317 456419585 /nfs/dbraw/zinc/41/95/85/456419585.db2.gz NEQJLKDJHWRGBI-UHFFFAOYSA-N 1 0 332.347 3.227 20 5 EGBDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1ncc([N+](=O)[O-])cn1 ZINC000282140286 456423962 /nfs/dbraw/zinc/42/39/62/456423962.db2.gz ATJIFWOTTCWSQP-INIZCTEOSA-N 1 0 341.415 3.097 20 5 EGBDRO CCOC1(C)CC[NH+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000298357418 456435077 /nfs/dbraw/zinc/43/50/77/456435077.db2.gz UBXFHVLPLIVNDL-UHFFFAOYSA-N 1 0 349.431 3.123 20 5 EGBDRO Cc1cnn([C@H]2CCN(c3cc(C)[nH+]c4ccc([N+](=O)[O-])cc43)C2)c1 ZINC000290901523 456462539 /nfs/dbraw/zinc/46/25/39/456462539.db2.gz VDUWMROLVMYUCO-HNNXBMFYSA-N 1 0 337.383 3.408 20 5 EGBDRO COc1ccc(C[NH2+]Cc2c[nH]nc2-c2ccc(C)o2)cc1[N+](=O)[O-] ZINC000340441709 456465331 /nfs/dbraw/zinc/46/53/31/456465331.db2.gz WAVHRHXSRWAWJM-UHFFFAOYSA-N 1 0 342.355 3.185 20 5 EGBDRO CCC[N@@H+]1CC[C@@H](CNC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)C1 ZINC000276399468 456468757 /nfs/dbraw/zinc/46/87/57/456468757.db2.gz KGHVGTKQUWZBSB-AWEZNQCLSA-N 1 0 334.420 3.065 20 5 EGBDRO C[C@]1(CO)CCC[C@@H]1[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000304316159 456504883 /nfs/dbraw/zinc/50/48/83/456504883.db2.gz LFIKBDAGTGHGRB-DOTOQJQBSA-N 1 0 347.440 3.359 20 5 EGBDRO C[C@H](NC(=O)NCC(C)(C)C[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000276630383 456537171 /nfs/dbraw/zinc/53/71/71/456537171.db2.gz MASYKYNMQKSMRJ-AWEZNQCLSA-N 1 0 348.447 3.077 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CC[C@@H](n3cccn3)C2)o1 ZINC000291236679 456574018 /nfs/dbraw/zinc/57/40/18/456574018.db2.gz KUEDBKIEZMJJGJ-CQSZACIVSA-N 1 0 338.367 3.498 20 5 EGBDRO C[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1ccc2n[nH]cc2c1 ZINC000353264629 456597201 /nfs/dbraw/zinc/59/72/01/456597201.db2.gz VPNBCWYXDGZRJH-GFCCVEGCSA-N 1 0 326.356 3.201 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000299248122 456641513 /nfs/dbraw/zinc/64/15/13/456641513.db2.gz KNZDZBMOFIOTLT-BBRMVZONSA-N 1 0 347.415 3.197 20 5 EGBDRO CCOc1cc(C[NH+]2CCC(n3ccnc3)CC2)ccc1[N+](=O)[O-] ZINC000276987874 456642624 /nfs/dbraw/zinc/64/26/24/456642624.db2.gz ZNGZLBDPEOOKER-UHFFFAOYSA-N 1 0 330.388 3.027 20 5 EGBDRO C[C@H]([NH2+]CCc1ccc2c(c1)OCCO2)c1ccccc1[N+](=O)[O-] ZINC000324044192 456660085 /nfs/dbraw/zinc/66/00/85/456660085.db2.gz SCPBASIKWXMDSU-ZDUSSCGKSA-N 1 0 328.368 3.259 20 5 EGBDRO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000324602081 456670361 /nfs/dbraw/zinc/67/03/61/456670361.db2.gz HZPZCMPJGWEKKI-QWRGUYRKSA-N 1 0 326.356 3.176 20 5 EGBDRO C[C@@H]1CCC[C@@](CNc2ncnc3ccc([N+](=O)[O-])cc32)([NH+](C)C)C1 ZINC000326929327 456702725 /nfs/dbraw/zinc/70/27/25/456702725.db2.gz KDZYTEJEULOSMA-FZKQIMNGSA-N 1 0 343.431 3.460 20 5 EGBDRO CCN(Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCN(c2ccccc2)C1=O ZINC000353554030 456756990 /nfs/dbraw/zinc/75/69/90/456756990.db2.gz HPANNLGVVWEDMT-SFHVURJKSA-N 1 0 339.395 3.222 20 5 EGBDRO CCc1ccc([C@@H](NCc2cncn2C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000353566548 456766309 /nfs/dbraw/zinc/76/63/09/456766309.db2.gz LYJLETYLVRIFGE-SFHVURJKSA-N 1 0 340.383 3.363 20 5 EGBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000344219357 456807665 /nfs/dbraw/zinc/80/76/65/456807665.db2.gz PEXYHLZMQOAGDX-GJZGRUSLSA-N 1 0 333.432 3.205 20 5 EGBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000291982724 456819772 /nfs/dbraw/zinc/81/97/72/456819772.db2.gz JWZZVFAXOCOFNE-LLVKDONJSA-N 1 0 327.812 3.098 20 5 EGBDRO COc1cc(C[N@H+](C)[C@@H]2C[C@](C)(OC)C2(C)C)c([N+](=O)[O-])cc1F ZINC000341274593 456830144 /nfs/dbraw/zinc/83/01/44/456830144.db2.gz GEAHZRWUTMFDMP-WBVHZDCISA-N 1 0 340.395 3.378 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(CN3C[C@@H]4CCC[NH2+][C@@H]4C3)o2)cc1 ZINC000353688364 456855283 /nfs/dbraw/zinc/85/52/83/456855283.db2.gz OFEVFFHXTPQCSQ-WMLDXEAASA-N 1 0 327.384 3.039 20 5 EGBDRO Cc1cc(NC(=O)NC[C@H](C)[NH+]2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000353770912 456899981 /nfs/dbraw/zinc/89/99/81/456899981.db2.gz VLBTWSSDDDPOEX-AWEZNQCLSA-N 1 0 334.420 3.145 20 5 EGBDRO C[N@H+](CCNc1ncnc2sc([N+](=O)[O-])cc21)Cc1ccccc1 ZINC000341827058 456960960 /nfs/dbraw/zinc/96/09/60/456960960.db2.gz UNNNQYIDFGVYRE-UHFFFAOYSA-N 1 0 343.412 3.143 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H](c2ccccc2)c2cncnc2)cc1 ZINC000349463226 456972892 /nfs/dbraw/zinc/97/28/92/456972892.db2.gz STTCMIKSXOGOLH-LJQANCHMSA-N 1 0 334.379 3.307 20 5 EGBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCCC[C@@H]1CCc1ccccc1 ZINC000362729761 457066064 /nfs/dbraw/zinc/06/60/64/457066064.db2.gz DUKRPBOYHYVYOD-MRXNPFEDSA-N 1 0 328.416 3.316 20 5 EGBDRO CCC[C@@H]([NH2+][C@@H](CCO)C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000359413761 457081390 /nfs/dbraw/zinc/08/13/90/457081390.db2.gz HOCOPDOIJYCKJQ-MSOLQXFVSA-N 1 0 336.432 3.203 20 5 EGBDRO C[C@H]([NH2+][C@H]1CCCN(CC(C)(C)C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000330900473 457101751 /nfs/dbraw/zinc/10/17/51/457101751.db2.gz OKKMLITYXQIXBN-BBRMVZONSA-N 1 0 333.432 3.283 20 5 EGBDRO CC[N@@H+]1CC[C@@H](N(C)Cc2cc(OC)c(F)cc2[N+](=O)[O-])C[C@H]1C ZINC000330926564 457105236 /nfs/dbraw/zinc/10/52/36/457105236.db2.gz IWBFBKFXQFNPID-TZMCWYRMSA-N 1 0 339.411 3.047 20 5 EGBDRO CCNC(=O)[C@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(C)C ZINC000339431101 457113231 /nfs/dbraw/zinc/11/32/31/457113231.db2.gz HXVKXPAAYGNSOD-QGZVFWFLSA-N 1 0 345.399 3.105 20 5 EGBDRO Cc1c(CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000331131122 457135844 /nfs/dbraw/zinc/13/58/44/457135844.db2.gz QDBHUVWAPJAOPI-KRWDZBQOSA-N 1 0 333.432 3.030 20 5 EGBDRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000356735096 457141576 /nfs/dbraw/zinc/14/15/76/457141576.db2.gz DLJMOBMFTXPCHS-NSHDSACASA-N 1 0 335.429 3.268 20 5 EGBDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000356785064 457165852 /nfs/dbraw/zinc/16/58/52/457165852.db2.gz VRLCUUHWHHFEDJ-JTQLQIEISA-N 1 0 347.337 3.072 20 5 EGBDRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@H]2[C@H](C)CCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000331352734 457172212 /nfs/dbraw/zinc/17/22/12/457172212.db2.gz ORANCYXODLOIOC-ZHRONYKTSA-N 1 0 349.431 3.345 20 5 EGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1cnc(C)[nH]c1=O ZINC000346796846 457174592 /nfs/dbraw/zinc/17/45/92/457174592.db2.gz OELINFKMRWMOAF-CYBMUJFWSA-N 1 0 348.428 3.059 20 5 EGBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000347041690 457200203 /nfs/dbraw/zinc/20/02/03/457200203.db2.gz LJUCLKUGPIMYKZ-SJORKVTESA-N 1 0 347.459 3.106 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](C[C@H]3CCCCC3(F)F)C2)nc1 ZINC000331581499 457211355 /nfs/dbraw/zinc/21/13/55/457211355.db2.gz XFFPEQWFVPNLJJ-CHWSQXEVSA-N 1 0 340.374 3.302 20 5 EGBDRO CCc1nc(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cs1 ZINC000331686582 457231423 /nfs/dbraw/zinc/23/14/23/457231423.db2.gz XSTZSPDUBFAXSZ-CHWSQXEVSA-N 1 0 335.433 3.084 20 5 EGBDRO Cc1cc(NCC[NH+]2CCSCC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000360066506 457236105 /nfs/dbraw/zinc/23/61/05/457236105.db2.gz QGNFDBBHLQWVFG-UHFFFAOYSA-N 1 0 349.378 3.383 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@H](CO)CC(F)(F)F)o2)c1 ZINC000339790970 457271503 /nfs/dbraw/zinc/27/15/03/457271503.db2.gz CFFBXHODPPTOMA-NSHDSACASA-N 1 0 344.289 3.258 20 5 EGBDRO C[NH+](C)CCN(Cc1cccc(Cl)c1)c1ccc([N+](=O)[O-])cn1 ZINC000347177244 457273859 /nfs/dbraw/zinc/27/38/59/457273859.db2.gz YDLDMPXPQHSALR-UHFFFAOYSA-N 1 0 334.807 3.211 20 5 EGBDRO CC[C@H]1[C@H](C)CC[N@@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000360476804 457312889 /nfs/dbraw/zinc/31/28/89/457312889.db2.gz IWDQTDHBJNUBDE-OCCSQVGLSA-N 1 0 333.388 3.013 20 5 EGBDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000347279241 457326909 /nfs/dbraw/zinc/32/69/09/457326909.db2.gz XDXMPHOSHJWOEW-VXGBXAGGSA-N 1 0 338.383 3.118 20 5 EGBDRO Cc1ccc([C@@H](C)NC(=O)N2CCC[N@@H+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000332392173 457361847 /nfs/dbraw/zinc/36/18/47/457361847.db2.gz XJGKXGCEKWMTNO-OAHLLOKOSA-N 1 0 348.447 3.090 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(N[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000360863503 457390655 /nfs/dbraw/zinc/39/06/55/457390655.db2.gz DALUZMXAJQLNGS-CJNGLKHVSA-N 1 0 326.400 3.231 20 5 EGBDRO CC(C)[NH+](CCCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C(C)C ZINC000347391209 457396321 /nfs/dbraw/zinc/39/63/21/457396321.db2.gz OKPKZBSKTZECQX-UHFFFAOYSA-N 1 0 341.839 3.487 20 5 EGBDRO C[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)CC[C@H]1CCCO1 ZINC000342612952 457402463 /nfs/dbraw/zinc/40/24/63/457402463.db2.gz ZDSALKQVWKCTIM-MRXNPFEDSA-N 1 0 345.399 3.293 20 5 EGBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000360961386 457469258 /nfs/dbraw/zinc/46/92/58/457469258.db2.gz QCJGQJJNBPWRDJ-BBRMVZONSA-N 1 0 343.431 3.367 20 5 EGBDRO COc1ccc(OCC[N@@H+]2CC[C@@H](c3ccco3)C2)c([N+](=O)[O-])c1 ZINC000374141041 457492598 /nfs/dbraw/zinc/49/25/98/457492598.db2.gz KPFYPRDCGYBIRH-CYBMUJFWSA-N 1 0 332.356 3.065 20 5 EGBDRO COc1ccc(-c2ccc(C[NH2+][C@H](C)C[C@H](C)O)o2)c([N+](=O)[O-])c1 ZINC000361044999 457540794 /nfs/dbraw/zinc/54/07/94/457540794.db2.gz VRTKAIMZGOENPW-NEPJUHHUSA-N 1 0 334.372 3.112 20 5 EGBDRO C[C@H]1C[C@H](C(C)(C)C)CC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000347607846 457547176 /nfs/dbraw/zinc/54/71/76/457547176.db2.gz WIICCWGKFQYKPP-SWLSCSKDSA-N 1 0 333.432 3.340 20 5 EGBDRO C[C@@H](C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)[NH+]1[C@H](C)CC[C@H]1C ZINC000352707422 457547505 /nfs/dbraw/zinc/54/75/05/457547505.db2.gz AXUKTXVABLAIMY-OAGGEKHMSA-N 1 0 347.459 3.295 20 5 EGBDRO O=[N+]([O-])c1c[nH]c(-c2nc(-c3cccc(C[NH+]4CCCC4)c3)no2)c1 ZINC000356364637 457587200 /nfs/dbraw/zinc/58/72/00/457587200.db2.gz MEMIAOBMOMIRMQ-UHFFFAOYSA-N 1 0 339.355 3.236 20 5 EGBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)[C@H]1OC ZINC000361164090 457623899 /nfs/dbraw/zinc/62/38/99/457623899.db2.gz DCXQEVXHESCZJD-BMGDILEWSA-N 1 0 346.383 3.137 20 5 EGBDRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000357847841 457710928 /nfs/dbraw/zinc/71/09/28/457710928.db2.gz IKVYUELJQIQKTG-KDOFPFPSSA-N 1 0 341.411 3.324 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@@H]1CCC(C)(C)C1 ZINC000361467530 457741644 /nfs/dbraw/zinc/74/16/44/457741644.db2.gz CKURNGGJRGLUJD-CQSZACIVSA-N 1 0 349.431 3.443 20 5 EGBDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3coc4ccccc34)CC2)n1 ZINC000426001924 457758201 /nfs/dbraw/zinc/75/82/01/457758201.db2.gz ZVULTORUPRLSRH-UHFFFAOYSA-N 1 0 326.356 3.375 20 5 EGBDRO CC1(C)C[C@@H]([NH2+][C@@H]2CCc3c[nH]nc3C2)c2cc([N+](=O)[O-])ccc21 ZINC000433281618 457799206 /nfs/dbraw/zinc/79/92/06/457799206.db2.gz JXRPBDGVKFGOBW-SJKOYZFVSA-N 1 0 326.400 3.187 20 5 EGBDRO C[NH+](C)Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000411286830 457849934 /nfs/dbraw/zinc/84/99/34/457849934.db2.gz XFRNJHKWPOQJHP-ZWKOTPCHSA-N 1 0 339.395 3.399 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1CN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000366605456 457867341 /nfs/dbraw/zinc/86/73/41/457867341.db2.gz CHQALROUMFXTJB-KDOFPFPSSA-N 1 0 345.443 3.052 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1ccc(CN2CC[C@H]3[NH2+]CC[C@@H]3C2)o1 ZINC000427138857 457949124 /nfs/dbraw/zinc/94/91/24/457949124.db2.gz ZNULIDBAUYLQBF-CZUORRHYSA-N 1 0 327.384 3.039 20 5 EGBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000458181922 457959114 /nfs/dbraw/zinc/95/91/14/457959114.db2.gz DQXLNMVFMBGFPH-SJORKVTESA-N 1 0 347.459 3.012 20 5 EGBDRO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000444748411 457965135 /nfs/dbraw/zinc/96/51/35/457965135.db2.gz JGXBARFQKAGSGQ-AWEZNQCLSA-N 1 0 349.431 3.300 20 5 EGBDRO Cc1cc(NC(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])ccc1C[NH+](C)C ZINC000458263220 457992596 /nfs/dbraw/zinc/99/25/96/457992596.db2.gz AODSUSNEGQMMKH-UHFFFAOYSA-N 1 0 345.403 3.064 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(C[NH+](C)C)c(C)c2)c1 ZINC000458287953 458001946 /nfs/dbraw/zinc/00/19/46/458001946.db2.gz PLQYZIQLXBRCPG-UHFFFAOYSA-N 1 0 343.383 3.226 20 5 EGBDRO CCOc1cc(C[N@@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000411916086 458009793 /nfs/dbraw/zinc/00/97/93/458009793.db2.gz ANJLNPXPRRRLPN-FUHWJXTLSA-N 1 0 342.395 3.301 20 5 EGBDRO C[N@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H]1CCC[NH2+]CC1 ZINC000435435460 458145862 /nfs/dbraw/zinc/14/58/62/458145862.db2.gz BJNRRUDDNAMYOJ-OAHLLOKOSA-N 1 0 329.400 3.429 20 5 EGBDRO Cc1ncc2c(n1)CC[C@H]([NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-])C2 ZINC000371986061 458151128 /nfs/dbraw/zinc/15/11/28/458151128.db2.gz XGMYNCNDOSDSHH-DYVFJYSZSA-N 1 0 340.427 3.161 20 5 EGBDRO O=[N+]([O-])c1cccnc1NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000428661669 458187509 /nfs/dbraw/zinc/18/75/09/458187509.db2.gz UXQIAUCQKGAQAS-HNNXBMFYSA-N 1 0 344.440 3.019 20 5 EGBDRO Cc1cccc(C[N@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])c1C ZINC000428756856 458206649 /nfs/dbraw/zinc/20/66/49/458206649.db2.gz HOQWYRHBUYRUEF-QGZVFWFLSA-N 1 0 344.411 3.083 20 5 EGBDRO CCOc1cc(CN2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000429021218 458258891 /nfs/dbraw/zinc/25/88/91/458258891.db2.gz OFMOMNPHYYALFW-RLFYNMQTSA-N 1 0 347.459 3.156 20 5 EGBDRO COCc1cc([N+](=O)[O-])ccc1N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000372298529 458269151 /nfs/dbraw/zinc/26/91/51/458269151.db2.gz PDTNOMLUZRBQFO-GOSISDBHSA-N 1 0 327.384 3.340 20 5 EGBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2CCCC[C@H]21 ZINC000362584117 458284555 /nfs/dbraw/zinc/28/45/55/458284555.db2.gz QUVWYOSPOSMFJI-GVDBMIGSSA-N 1 0 340.427 3.487 20 5 EGBDRO C[NH+](C)[C@@H](CNc1c2c(ccc1[N+](=O)[O-])NCC2)c1ccsc1 ZINC000436321243 458288806 /nfs/dbraw/zinc/28/88/06/458288806.db2.gz YROGEMPTOWBGLE-HNNXBMFYSA-N 1 0 332.429 3.339 20 5 EGBDRO CSc1cccc(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000376409284 458292423 /nfs/dbraw/zinc/29/24/23/458292423.db2.gz RRINFPIHWNSBJE-CHWSQXEVSA-N 1 0 349.456 3.016 20 5 EGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCCc2ccccc2)n1 ZINC000447521305 458304456 /nfs/dbraw/zinc/30/44/56/458304456.db2.gz WCBAYHFCNQRQTJ-DLBZAZTESA-N 1 0 328.416 3.497 20 5 EGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C2CCC(F)(F)CC2)n1 ZINC000447577703 458315048 /nfs/dbraw/zinc/31/50/48/458315048.db2.gz BDFMIVCZTYMUKJ-QWHCGFSZSA-N 1 0 328.363 3.443 20 5 EGBDRO C[C@H](C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)Oc1ccccc1 ZINC000447582393 458316408 /nfs/dbraw/zinc/31/64/08/458316408.db2.gz ZMDOOKYCGGSPHR-DJIMGWMZSA-N 1 0 344.415 3.332 20 5 EGBDRO Cc1ccc(C[C@H](CO)[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000447598545 458319255 /nfs/dbraw/zinc/31/92/55/458319255.db2.gz VMQHKYSXPSZUOI-XLIONFOSSA-N 1 0 340.423 3.474 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000376589685 458346333 /nfs/dbraw/zinc/34/63/33/458346333.db2.gz RRTUBHZLFIAVDC-GJZGRUSLSA-N 1 0 346.431 3.302 20 5 EGBDRO O=c1cc(CN(Cc2ccccc2[N+](=O)[O-])C2CC2)nc(C2CC2)[nH]1 ZINC000459371530 458348337 /nfs/dbraw/zinc/34/83/37/458348337.db2.gz TULDBXJQBFSLMQ-UHFFFAOYSA-N 1 0 340.383 3.132 20 5 EGBDRO C[C@@H](NC(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000447991435 458375746 /nfs/dbraw/zinc/37/57/46/458375746.db2.gz UXUKWCSAKOAQAW-CJNGLKHVSA-N 1 0 348.447 3.075 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)CCCc1cccnc1 ZINC000459641554 458433516 /nfs/dbraw/zinc/43/35/16/458433516.db2.gz RFAPZIMQXMRRMC-AWEZNQCLSA-N 1 0 329.400 3.499 20 5 EGBDRO C[C@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])s2)CC[N@@H+]1Cc1ccccc1 ZINC000377081622 458456763 /nfs/dbraw/zinc/45/67/63/458456763.db2.gz KOQLEVHFFYWHGN-GXTWGEPZSA-N 1 0 345.424 3.049 20 5 EGBDRO C[C@H](C[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1)C(=O)OC(C)(C)C ZINC000459814810 458485034 /nfs/dbraw/zinc/48/50/34/458485034.db2.gz UQOWPDJLNUHJLL-LLVKDONJSA-N 1 0 349.387 3.146 20 5 EGBDRO O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000437861106 458503194 /nfs/dbraw/zinc/50/31/94/458503194.db2.gz AFEUDXOCSFBVCH-INIZCTEOSA-N 1 0 349.406 3.261 20 5 EGBDRO CCCC[N@H+](C)CCNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437985752 458517648 /nfs/dbraw/zinc/51/76/48/458517648.db2.gz MNMUEBLAIDSPGF-UHFFFAOYSA-N 1 0 348.447 3.001 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H](CO)Cc1ccccc1C ZINC000468610660 458528568 /nfs/dbraw/zinc/52/85/68/458528568.db2.gz UBNLFXFYZHIMES-JVVYVMHDSA-N 1 0 340.423 3.500 20 5 EGBDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000460911681 458540628 /nfs/dbraw/zinc/54/06/28/458540628.db2.gz RUODQVSXQUOOLT-OAHLLOKOSA-N 1 0 333.432 3.288 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)[C@@H]1COc2ccccc21 ZINC000373774486 458599962 /nfs/dbraw/zinc/59/99/62/458599962.db2.gz YAZGIATYXJFWKL-LRDDRELGSA-N 1 0 328.368 3.258 20 5 EGBDRO [NH3+]C1(c2noc(/C=C/c3ccc(F)cc3[N+](=O)[O-])n2)CCCCC1 ZINC000424339954 458620540 /nfs/dbraw/zinc/62/05/40/458620540.db2.gz FNJIOUYTPRIAHB-FNORWQNLSA-N 1 0 332.335 3.405 20 5 EGBDRO CCCNC(=O)C[N@H+](CCC)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000470185382 458623208 /nfs/dbraw/zinc/62/32/08/458623208.db2.gz ZWOIQFHPJQHYPS-PTNGSMBKSA-N 1 0 333.432 3.236 20 5 EGBDRO COc1ccc(-c2ccc(CN[C@@H]3CCCC[C@H]3[NH3+])o2)c([N+](=O)[O-])c1 ZINC000424365662 458626823 /nfs/dbraw/zinc/62/68/23/458626823.db2.gz HGSSQNKXCALBAW-HZPDHXFCSA-N 1 0 345.399 3.223 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@@H]3CCn4ccnc4C3)o2)c1 ZINC000494444969 458678259 /nfs/dbraw/zinc/67/82/59/458678259.db2.gz OJXYXLQSKXTIEH-CQSZACIVSA-N 1 0 338.367 3.156 20 5 EGBDRO CCc1ccc(C(=O)N(C)CC[N@H+](C)C2CCCCC2)cc1[N+](=O)[O-] ZINC000471891662 458747083 /nfs/dbraw/zinc/74/70/83/458747083.db2.gz AOALIJXDTMHVKS-UHFFFAOYSA-N 1 0 347.459 3.494 20 5 EGBDRO C[N@@H+]1CC[C@H]2CCN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)[C@@H]2C1 ZINC000495203026 458812102 /nfs/dbraw/zinc/81/21/02/458812102.db2.gz UOTNQQOPKSAIEV-KBXCAEBGSA-N 1 0 341.411 3.381 20 5 EGBDRO CCCN(CC[NH+](CC)CC)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000473777528 458842723 /nfs/dbraw/zinc/84/27/23/458842723.db2.gz HMGYUABDSAYQNX-UHFFFAOYSA-N 1 0 336.436 3.489 20 5 EGBDRO CC(C)C[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000466375948 458895732 /nfs/dbraw/zinc/89/57/32/458895732.db2.gz AZAYDXRFHQQJMG-RDJZCZTQSA-N 1 0 336.432 3.235 20 5 EGBDRO Cc1cc(NC[C@]2(C)CCO[C@H]2C2CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000466640532 458910766 /nfs/dbraw/zinc/91/07/66/458910766.db2.gz QEIXRWGMWALERP-OALUTQOASA-N 1 0 341.411 3.490 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000576911653 458944395 /nfs/dbraw/zinc/94/43/95/458944395.db2.gz LHXOMCYFXPVTJC-CQSZACIVSA-N 1 0 348.447 3.401 20 5 EGBDRO C[C@H](NC(=O)C1C[NH+](C2CCCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000457467438 458966741 /nfs/dbraw/zinc/96/67/41/458966741.db2.gz SSIZRFYCINHFGM-ZDUSSCGKSA-N 1 0 331.416 3.037 20 5 EGBDRO COC1CCN(C(C)(C)C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000531719248 458966895 /nfs/dbraw/zinc/96/68/95/458966895.db2.gz FHEPDOACLRZIIY-OAHLLOKOSA-N 1 0 349.475 3.443 20 5 EGBDRO CCCN1CCC[C@H]1C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000556924308 459033919 /nfs/dbraw/zinc/03/39/19/459033919.db2.gz QROBGEPSYXVTDA-ROUUACIJSA-N 1 0 331.460 3.380 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC(C)(C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000532198340 459046135 /nfs/dbraw/zinc/04/61/35/459046135.db2.gz RNMJXAHYODBFGE-OWCLPIDISA-N 1 0 349.475 3.442 20 5 EGBDRO CC(C)[C@@H](C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccnn1C ZINC000594499804 459062927 /nfs/dbraw/zinc/06/29/27/459062927.db2.gz KHJFAJOYUHNLTL-CVEARBPZSA-N 1 0 328.416 3.345 20 5 EGBDRO CC[C@@H](Cc1ccc(C)cc1)[N@H+](CC)CCn1ccc([N+](=O)[O-])n1 ZINC000478034870 459073694 /nfs/dbraw/zinc/07/36/94/459073694.db2.gz BMSYGEREZWGHLN-KRWDZBQOSA-N 1 0 330.432 3.443 20 5 EGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@]1(CO)C[C@@H]1c1ccccc1 ZINC000594518370 459075554 /nfs/dbraw/zinc/07/55/54/459075554.db2.gz GNNCYIWKMLATNV-HBFSDRIKSA-N 1 0 338.407 3.338 20 5 EGBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)c2c1 ZINC000521107605 459120617 /nfs/dbraw/zinc/12/06/17/459120617.db2.gz ZKVOYYSXUOCPPA-QGTPRVQTSA-N 1 0 341.411 3.166 20 5 EGBDRO CC1(C)C[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)[C@H]2CCC[C@H]21 ZINC000590380155 459121995 /nfs/dbraw/zinc/12/19/95/459121995.db2.gz YRFUPFIHBDVJTP-KGLIPLIRSA-N 1 0 332.400 3.377 20 5 EGBDRO C[C@H](CC(N)=O)[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000479528069 459146138 /nfs/dbraw/zinc/14/61/38/459146138.db2.gz MUJDOKUVNGNXKQ-GHMZBOCLSA-N 1 0 333.413 3.238 20 5 EGBDRO C[N@@H+]1CC[C@H]2CCN(c3ccc(C(F)(F)F)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000590580758 459153472 /nfs/dbraw/zinc/15/34/72/459153472.db2.gz HJRHKKBGAYVXSR-IINYFYTJSA-N 1 0 329.322 3.144 20 5 EGBDRO COC[C@@H](C)Oc1ccc(C[NH2+]Cc2ccccc2[N+](=O)[O-])cc1 ZINC000594925590 459178319 /nfs/dbraw/zinc/17/83/19/459178319.db2.gz OLMJKBUSOIYMFJ-CQSZACIVSA-N 1 0 330.384 3.298 20 5 EGBDRO Cn1nc(C(F)(F)F)cc1C[NH2+]C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000594942633 459186499 /nfs/dbraw/zinc/18/64/99/459186499.db2.gz XUWSPNSCYRYWFH-UHFFFAOYSA-N 1 0 342.321 3.372 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCN1CCCCCC1)C1CC1 ZINC000480266348 459190770 /nfs/dbraw/zinc/19/07/70/459190770.db2.gz OULJHTGDFREAKM-SFHVURJKSA-N 1 0 331.460 3.382 20 5 EGBDRO COc1cc(C[NH2+][C@@H]2CCc3ccccc32)c([N+](=O)[O-])cc1OC ZINC000594972307 459201423 /nfs/dbraw/zinc/20/14/23/459201423.db2.gz CPCIFNJPDSBHGH-OAHLLOKOSA-N 1 0 328.368 3.389 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@@H](CO)CC3CC3)cs2)c1 ZINC000594984375 459205566 /nfs/dbraw/zinc/20/55/66/459205566.db2.gz UHHGRLWOXSTSHP-ZDUSSCGKSA-N 1 0 347.440 3.217 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCc1ccc2c(c1)CCO2 ZINC000595007131 459213365 /nfs/dbraw/zinc/21/33/65/459213365.db2.gz GFJNBAOJDLMXCJ-ZDUSSCGKSA-N 1 0 342.395 3.432 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCCN(C)CC(F)(F)F ZINC000595009417 459213919 /nfs/dbraw/zinc/21/39/19/459213919.db2.gz YQOYNSXLUCSIOY-NSHDSACASA-N 1 0 349.353 3.138 20 5 EGBDRO C[C@H]([NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)C1(CO)CC1 ZINC000595066509 459234997 /nfs/dbraw/zinc/23/49/97/459234997.db2.gz IBDJLTXRFFSDDC-KSSFIOAISA-N 1 0 326.396 3.435 20 5 EGBDRO Cc1c([C@H](C)[NH2+]C[C@H]2CC(=O)N(C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000595104389 459246504 /nfs/dbraw/zinc/24/65/04/459246504.db2.gz PRCVWRMIFJZIMG-UONOGXRCSA-N 1 0 333.432 3.201 20 5 EGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000595104298 459246705 /nfs/dbraw/zinc/24/67/05/459246705.db2.gz OQWPVPGCFVKZPE-HUUCEWRRSA-N 1 0 347.459 3.153 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000595105936 459247134 /nfs/dbraw/zinc/24/71/34/459247134.db2.gz UUCXKKQFKZNMPC-UONOGXRCSA-N 1 0 333.432 3.201 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CNC1(c2ccc(F)cc2)CC1 ZINC000533527195 459247162 /nfs/dbraw/zinc/24/71/62/459247162.db2.gz WASFJYYMUQVHSQ-UHFFFAOYSA-N 1 0 343.358 3.260 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@H]1CCCC[C@@H]1O ZINC000481386294 459250176 /nfs/dbraw/zinc/25/01/76/459250176.db2.gz YORBIISUKKPBEY-PBHICJAKSA-N 1 0 336.432 3.365 20 5 EGBDRO Cc1noc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@H]2O)c1[N+](=O)[O-] ZINC000595467681 459313381 /nfs/dbraw/zinc/31/33/81/459313381.db2.gz SWQFHBBWRAZKGY-SPWCGHHHSA-N 1 0 337.420 3.043 20 5 EGBDRO COc1cc(C[N@H+](C)CCc2ccc([N+](=O)[O-])cc2)cc(OC)c1 ZINC000523702117 459324196 /nfs/dbraw/zinc/32/41/96/459324196.db2.gz JKRKLEKGOUPJGW-UHFFFAOYSA-N 1 0 330.384 3.287 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCCC1CC[NH+](CC)CC1 ZINC000568937185 459368161 /nfs/dbraw/zinc/36/81/61/459368161.db2.gz YSQRKNLZIJOBNI-UHFFFAOYSA-N 1 0 348.447 3.401 20 5 EGBDRO C[C@@H](O)[C@H]1CCCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000540962247 459410933 /nfs/dbraw/zinc/41/09/33/459410933.db2.gz YOYRUEYVWBYREL-OCCSQVGLSA-N 1 0 347.440 3.311 20 5 EGBDRO CC[N@@H+]1CCCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC1 ZINC000485394181 459452282 /nfs/dbraw/zinc/45/22/82/459452282.db2.gz FVVGGALVDGPDNR-UHFFFAOYSA-N 1 0 344.390 3.328 20 5 EGBDRO CCC[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000525410330 459454573 /nfs/dbraw/zinc/45/45/73/459454573.db2.gz CSQLSSYXRUTMRH-BMGDILEWSA-N 1 0 348.443 3.499 20 5 EGBDRO CC(C)CC1([NH2+]CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1 ZINC000595832259 459458026 /nfs/dbraw/zinc/45/80/26/459458026.db2.gz VKGLJCICGHCXLY-UHFFFAOYSA-N 1 0 333.388 3.061 20 5 EGBDRO CC[NH+](CC)[C@@H](CNc1cc[nH]c(=O)c1[N+](=O)[O-])c1ccsc1 ZINC000596073602 459509958 /nfs/dbraw/zinc/50/99/58/459509958.db2.gz JWKLRRAUSCMJAE-ZDUSSCGKSA-N 1 0 336.417 3.252 20 5 EGBDRO Cc1cc(NC2CC[NH+](Cc3ccncc3)CC2)c([N+](=O)[O-])s1 ZINC000596081351 459512057 /nfs/dbraw/zinc/51/20/57/459512057.db2.gz GFOCNTABFPUKLG-UHFFFAOYSA-N 1 0 332.429 3.436 20 5 EGBDRO C[C@@H](C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000562225851 459519644 /nfs/dbraw/zinc/51/96/44/459519644.db2.gz CQBTZHHDYAUQKR-AWEZNQCLSA-N 1 0 327.384 3.317 20 5 EGBDRO C[C@H](Cc1ccsc1)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000542155442 459529244 /nfs/dbraw/zinc/52/92/44/459529244.db2.gz OSEPAKWBRCDQRY-OCCSQVGLSA-N 1 0 332.429 3.169 20 5 EGBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596155201 459541518 /nfs/dbraw/zinc/54/15/18/459541518.db2.gz PXPKHYATSCXBBB-UKRRQHHQSA-N 1 0 342.399 3.018 20 5 EGBDRO CCCN(C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CC[N@H+](C)C1 ZINC000592212162 459550687 /nfs/dbraw/zinc/55/06/87/459550687.db2.gz DDXHZJJDHJAGJA-GFCCVEGCSA-N 1 0 340.811 3.196 20 5 EGBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCC[C@H](N3CCCC3=O)C2)cccc1[N+](=O)[O-] ZINC000583511169 459553252 /nfs/dbraw/zinc/55/32/52/459553252.db2.gz RXZZNZDYQHJEOO-XHSDSOJGSA-N 1 0 345.443 3.487 20 5 EGBDRO CCc1ccc([C@H](NCCC[NH+](C)C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000542477024 459560587 /nfs/dbraw/zinc/56/05/87/459560587.db2.gz BJAQBPPJVZXTTQ-GOSISDBHSA-N 1 0 331.416 3.381 20 5 EGBDRO CC[C@H](C)[NH2+][C@H](CNc1c(Cl)cncc1[N+](=O)[O-])c1ccco1 ZINC000596231275 459568158 /nfs/dbraw/zinc/56/81/58/459568158.db2.gz PCUZGRILFKVRSW-CMPLNLGQSA-N 1 0 338.795 3.199 20 5 EGBDRO CC(C)n1cc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cn1 ZINC000542572659 459573136 /nfs/dbraw/zinc/57/31/36/459573136.db2.gz BLZHCUIMZORPDK-STQMWFEESA-N 1 0 345.403 3.050 20 5 EGBDRO CC(C)(C)c1ccc(C(=O)NCC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000498459730 459590305 /nfs/dbraw/zinc/59/03/05/459590305.db2.gz WDJOTEOHUBERFY-UHFFFAOYSA-N 1 0 333.432 3.108 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1)CCC2 ZINC000584271576 459696208 /nfs/dbraw/zinc/69/62/08/459696208.db2.gz URAXVVSUQHQMTM-DOMZBBRYSA-N 1 0 343.349 3.198 20 5 EGBDRO Cc1c(NC(=O)NCC2CC[NH+](CC3CC3)CC2)cccc1[N+](=O)[O-] ZINC000596636873 459707948 /nfs/dbraw/zinc/70/79/48/459707948.db2.gz XRWRDNHHHRYCJZ-UHFFFAOYSA-N 1 0 346.431 3.147 20 5 EGBDRO CCn1cc(C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C(C)C)cn1 ZINC000593081444 459766728 /nfs/dbraw/zinc/76/67/28/459766728.db2.gz OLLULTJDVPHPDZ-UHFFFAOYSA-N 1 0 346.431 3.491 20 5 EGBDRO C[C@@H]([NH2+]C1(C2CCC2)CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000593083148 459768082 /nfs/dbraw/zinc/76/80/82/459768082.db2.gz ZKQQAXKXDQYTCJ-SNVBAGLBSA-N 1 0 337.807 3.498 20 5 EGBDRO CC(C)Oc1nc(N2CCC([NH+]3CCCCC3)CC2)ccc1[N+](=O)[O-] ZINC000574584924 459837659 /nfs/dbraw/zinc/83/76/59/459837659.db2.gz PZSCFIGBDRCQHQ-UHFFFAOYSA-N 1 0 348.447 3.232 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](Cc3cnc4n3CCC4)C2)cc1 ZINC000597138310 459849312 /nfs/dbraw/zinc/84/93/12/459849312.db2.gz PRCMAYSBQKZFSK-OAHLLOKOSA-N 1 0 326.400 3.117 20 5 EGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000585801379 459851840 /nfs/dbraw/zinc/85/18/40/459851840.db2.gz GPSPJLJTUUIHMS-DGCLKSJQSA-N 1 0 328.372 3.406 20 5 EGBDRO C[N@@H+](Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C[C@H]1CCCOC1 ZINC000602464124 459950475 /nfs/dbraw/zinc/95/04/75/459950475.db2.gz JYAUYIITEQLUOP-LLVKDONJSA-N 1 0 332.322 3.472 20 5 EGBDRO CC(C)[NH2+][C@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000609386471 459956039 /nfs/dbraw/zinc/95/60/39/459956039.db2.gz UPSIXTXCSMRLAY-INIZCTEOSA-N 1 0 335.448 3.344 20 5 EGBDRO COc1cccc(N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000613884244 459959333 /nfs/dbraw/zinc/95/93/33/459959333.db2.gz WHBLZTOIAVPLMP-MRXNPFEDSA-N 1 0 341.411 3.314 20 5 EGBDRO C[C@H](CCc1ccco1)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602505130 459972693 /nfs/dbraw/zinc/97/26/93/459972693.db2.gz SOXJKJVNHAZPNI-CQSZACIVSA-N 1 0 344.415 3.163 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3CCCc4occc43)CC2)cn1 ZINC000602511956 459975886 /nfs/dbraw/zinc/97/58/86/459975886.db2.gz SMMIOVJDXYPMFY-INIZCTEOSA-N 1 0 342.399 3.219 20 5 EGBDRO CC[N@@H+]1CC[C@@H](CNCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602519556 459979549 /nfs/dbraw/zinc/97/95/49/459979549.db2.gz HOECMBJWXUZBQG-NSHDSACASA-N 1 0 331.338 3.045 20 5 EGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]CCCCn1ccnc1 ZINC000602518189 459979627 /nfs/dbraw/zinc/97/96/27/459979627.db2.gz LSDPRHZRYBTPBY-UHFFFAOYSA-N 1 0 342.321 3.380 20 5 EGBDRO C[C@@H]1CC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H]1CO ZINC000598678584 459990034 /nfs/dbraw/zinc/99/00/34/459990034.db2.gz ZGNWMFCEAUHZMJ-UKRRQHHQSA-N 1 0 330.384 3.305 20 5 EGBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000609594393 459990127 /nfs/dbraw/zinc/99/01/27/459990127.db2.gz TUMZWTXFCVLDOZ-ZDUSSCGKSA-N 1 0 344.415 3.070 20 5 EGBDRO O=[N+]([O-])c1sc(C[NH2+]C2CCSCC2)cc1Br ZINC000602543085 459990731 /nfs/dbraw/zinc/99/07/31/459990731.db2.gz HINPCTUHWICZKX-UHFFFAOYSA-N 1 0 337.264 3.404 20 5 EGBDRO COc1ccc(F)c(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000598680058 459991902 /nfs/dbraw/zinc/99/19/02/459991902.db2.gz RXPHMFXJMGFPDX-CVEARBPZSA-N 1 0 348.378 3.213 20 5 EGBDRO COC[C@@H](Cc1ccccc1)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602562523 459999327 /nfs/dbraw/zinc/99/93/27/459999327.db2.gz CJYFQLFAVASXEU-CQSZACIVSA-N 1 0 341.367 3.083 20 5 EGBDRO C[C@@H]([NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)[C@H]1CCCOC1 ZINC000602602850 460018912 /nfs/dbraw/zinc/01/89/12/460018912.db2.gz CPRUWTBTSUMOTE-BDAKNGLRSA-N 1 0 349.250 3.324 20 5 EGBDRO COC(=O)c1csc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000602610682 460020521 /nfs/dbraw/zinc/02/05/21/460020521.db2.gz IPOSTDJCBVNNTC-UHFFFAOYSA-N 1 0 334.397 3.468 20 5 EGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+][C@H]1CCC[C@H]1CCO ZINC000602625938 460030051 /nfs/dbraw/zinc/03/00/51/460030051.db2.gz VSWLNSNGJXQWPB-GWCFXTLKSA-N 1 0 332.322 3.254 20 5 EGBDRO CSC1(C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602640969 460036916 /nfs/dbraw/zinc/03/69/16/460036916.db2.gz SUVYJZSUJMHUHS-UHFFFAOYSA-N 1 0 337.264 3.404 20 5 EGBDRO CC[C@H](COCC(F)(F)F)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602673583 460058033 /nfs/dbraw/zinc/05/80/33/460058033.db2.gz LBABOHUZEDHYRT-SECBINFHSA-N 1 0 347.293 3.183 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCO[C@H](c3ccncc3)C2)cc1 ZINC000602682665 460063012 /nfs/dbraw/zinc/06/30/12/460063012.db2.gz NZNIPZSQODCSEO-WMZOPIPTSA-N 1 0 327.384 3.042 20 5 EGBDRO CO[C@@H](C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)C1CCOCC1 ZINC000602685439 460065616 /nfs/dbraw/zinc/06/56/16/460065616.db2.gz PERCLXPFPUZGLG-MJGOQNOKSA-N 1 0 348.443 3.216 20 5 EGBDRO CC(C)[C@@H]1[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC12CCOCC2 ZINC000602688798 460066560 /nfs/dbraw/zinc/06/65/60/460066560.db2.gz DEJMLQXYUJNDEE-KRWDZBQOSA-N 1 0 345.399 3.373 20 5 EGBDRO C[C@H](COCC1CC1)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602713597 460080043 /nfs/dbraw/zinc/08/00/43/460080043.db2.gz WHYBCEADCZRYCC-MRVPVSSYSA-N 1 0 349.250 3.324 20 5 EGBDRO C[C@@H](COCC1CC1)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602713598 460080062 /nfs/dbraw/zinc/08/00/62/460080062.db2.gz WHYBCEADCZRYCC-QMMMGPOBSA-N 1 0 349.250 3.324 20 5 EGBDRO C[C@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@@]1(C)CO ZINC000602723778 460085922 /nfs/dbraw/zinc/08/59/22/460085922.db2.gz SYAQCNCVODRFJF-HZMBPMFUSA-N 1 0 332.322 3.064 20 5 EGBDRO CCOC(=O)C1CCC([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000602750846 460104468 /nfs/dbraw/zinc/10/44/68/460104468.db2.gz FJCCDAKUHFPVJE-ALCCZGGFSA-N 1 0 332.400 3.320 20 5 EGBDRO COc1ccc2c(c1)C[C@H](C)[N@@H+](CCn1c(C)ncc1[N+](=O)[O-])[C@H]2C ZINC000602807966 460139029 /nfs/dbraw/zinc/13/90/29/460139029.db2.gz XIZPHOUZDHDSGQ-STQMWFEESA-N 1 0 344.415 3.116 20 5 EGBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@@H](C)[NH+](C)C ZINC000597992391 460139818 /nfs/dbraw/zinc/13/98/18/460139818.db2.gz JTAFWFMFUDMTKF-GFCCVEGCSA-N 1 0 339.461 3.167 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594197399 460145603 /nfs/dbraw/zinc/14/56/03/460145603.db2.gz NOEHHKRNWXZSEX-JKSUJKDBSA-N 1 0 345.443 3.267 20 5 EGBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000594360504 460195130 /nfs/dbraw/zinc/19/51/30/460195130.db2.gz JDYBVSIFUGGXKN-GXTWGEPZSA-N 1 0 349.456 3.016 20 5 EGBDRO Cc1ncc([C@H](C)[NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)s1 ZINC000602957910 460201231 /nfs/dbraw/zinc/20/12/31/460201231.db2.gz WDXBQTTYZIHYOW-JTQLQIEISA-N 1 0 334.401 3.039 20 5 EGBDRO Cc1ncc([C@@H](C)[NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)s1 ZINC000602956937 460201622 /nfs/dbraw/zinc/20/16/22/460201622.db2.gz QEGSRJVAWMFTGR-LLVKDONJSA-N 1 0 348.428 3.348 20 5 EGBDRO Cc1cccc(C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)c1[N+](=O)[O-] ZINC000598218076 460208928 /nfs/dbraw/zinc/20/89/28/460208928.db2.gz DZGLUWAJUWBTAZ-CQSZACIVSA-N 1 0 331.416 3.040 20 5 EGBDRO C[C@@H](C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000598219434 460210118 /nfs/dbraw/zinc/21/01/18/460210118.db2.gz LUGORXOCVLKJPH-ZBFHGGJFSA-N 1 0 345.443 3.222 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000598222063 460210902 /nfs/dbraw/zinc/21/09/02/460210902.db2.gz ZOVNPWCIBLXHSQ-AWEZNQCLSA-N 1 0 331.416 3.040 20 5 EGBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000610721051 460225869 /nfs/dbraw/zinc/22/58/69/460225869.db2.gz PCKVMDHQHAAUMP-GOEBONIOSA-N 1 0 348.447 3.138 20 5 EGBDRO Cc1nc(N2CCC(C[NH+]3CCCCCC3)CC2)ccc1[N+](=O)[O-] ZINC000610754669 460231841 /nfs/dbraw/zinc/23/18/41/460231841.db2.gz DXNFZOXQLKOLMC-UHFFFAOYSA-N 1 0 332.448 3.391 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]C2CCN(C[C@@H]3CCCO3)CC2)cc1[N+](=O)[O-] ZINC000610818833 460241959 /nfs/dbraw/zinc/24/19/59/460241959.db2.gz GQQNVAAQIHRARV-YJBOKZPZSA-N 1 0 347.459 3.197 20 5 EGBDRO CC1(C)C[C@@H]([NH2+]CCOC[C@@H]2CCCO2)c2cc([N+](=O)[O-])ccc21 ZINC000618984291 460242187 /nfs/dbraw/zinc/24/21/87/460242187.db2.gz VVKDFIMTBWDMMV-WMLDXEAASA-N 1 0 334.416 3.102 20 5 EGBDRO CC(C)c1ccc(CN2CC[NH+](C[C@H]3CCCO3)CC2)cc1[N+](=O)[O-] ZINC000603633308 460329739 /nfs/dbraw/zinc/32/97/39/460329739.db2.gz VKMHPAGEBPDUTD-QGZVFWFLSA-N 1 0 347.459 3.015 20 5 EGBDRO Cc1ccncc1[C@@H](C)[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000611299718 460332164 /nfs/dbraw/zinc/33/21/64/460332164.db2.gz CKYCCIBUAKITTQ-ZIAGYGMSSA-N 1 0 342.399 3.366 20 5 EGBDRO Cc1nccc([C@@H]2CCC[N@H+](CCc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000603834318 460344865 /nfs/dbraw/zinc/34/48/65/460344865.db2.gz QAWRGYCKFARDGQ-MRXNPFEDSA-N 1 0 326.400 3.115 20 5 EGBDRO CC(C)(CNc1cccnc1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000603849927 460347565 /nfs/dbraw/zinc/34/75/65/460347565.db2.gz ORXINYGTOSZOME-UHFFFAOYSA-N 1 0 326.400 3.239 20 5 EGBDRO CCOc1ccc([C@H](C)[NH2+]CCc2ccc(CO)cc2)cc1[N+](=O)[O-] ZINC000611439375 460365596 /nfs/dbraw/zinc/36/55/96/460365596.db2.gz CCSAHXBZCYDZBM-AWEZNQCLSA-N 1 0 344.411 3.379 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](C)c1cccc(C(F)(F)F)c1 ZINC000611442810 460366212 /nfs/dbraw/zinc/36/62/12/460366212.db2.gz FERCVGNKKKGTQX-SNVBAGLBSA-N 1 0 342.321 3.469 20 5 EGBDRO Cc1cc(N2CCC([NH2+]C(C)C)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000611444610 460367625 /nfs/dbraw/zinc/36/76/25/460367625.db2.gz CNFQOUPODZIDQZ-UHFFFAOYSA-N 1 0 328.416 3.418 20 5 EGBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CCC(F)(F)C1 ZINC000611475892 460372457 /nfs/dbraw/zinc/37/24/57/460372457.db2.gz NWJBVRQURKBNME-PWSUYJOCSA-N 1 0 327.331 3.089 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C1CCN(CC(F)F)CC1 ZINC000615720651 460381600 /nfs/dbraw/zinc/38/16/00/460381600.db2.gz FFFGJISTEOJAQD-UKTHLTGXSA-N 1 0 339.386 3.317 20 5 EGBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611709169 460435585 /nfs/dbraw/zinc/43/55/85/460435585.db2.gz OBUMEUJFLIPPEI-MCIONIFRSA-N 1 0 343.431 3.316 20 5 EGBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000616119274 460476868 /nfs/dbraw/zinc/47/68/68/460476868.db2.gz XTARVDYTTXZQAT-AWEZNQCLSA-N 1 0 334.420 3.208 20 5 EGBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1c1ccnc2ccc([N+](=O)[O-])cc21 ZINC000601164703 460737142 /nfs/dbraw/zinc/73/71/42/460737142.db2.gz FHZBPJCIDLZOEK-ZFWWWQNUSA-N 1 0 326.400 3.206 20 5 EGBDRO CC[C@H]([NH2+]C[C@H](n1cncn1)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000601295368 460779864 /nfs/dbraw/zinc/77/98/64/460779864.db2.gz VBNDKHNLFKPIKW-STQMWFEESA-N 1 0 343.309 3.031 20 5 EGBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000613244708 460881309 /nfs/dbraw/zinc/88/13/09/460881309.db2.gz PCFUQUMVRBLSSS-IAGOWNOFSA-N 1 0 347.459 3.153 20 5 EGBDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000617715344 460960515 /nfs/dbraw/zinc/96/05/15/460960515.db2.gz FUZFPXXMSGWRQI-YJBOKZPZSA-N 1 0 347.459 3.469 20 5 EGBDRO CC(C)[NH+](CCCNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000617742521 460962031 /nfs/dbraw/zinc/96/20/31/460962031.db2.gz WZCFPKWEMRPNHS-HNNXBMFYSA-N 1 0 335.448 3.323 20 5 EGBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000619158296 469539296 /nfs/dbraw/zinc/53/92/96/469539296.db2.gz PERQELONAQPQIF-OAHLLOKOSA-N 1 0 329.404 3.070 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000164191079 534341945 /nfs/dbraw/zinc/34/19/45/534341945.db2.gz JZSNSRQXCHLLBL-AWEZNQCLSA-N 1 0 334.420 3.003 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@@H](O)c1ccsc1)C1CC1 ZINC000154417244 534887936 /nfs/dbraw/zinc/88/79/36/534887936.db2.gz PZAPZUBOZYGVOA-DOTOQJQBSA-N 1 0 332.425 3.301 20 5 EGBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H](C)Cn2ccnc2C)cc1[N+](=O)[O-] ZINC000153585954 528594377 /nfs/dbraw/zinc/59/43/77/528594377.db2.gz NVAFWUCMSOVRLQ-UONOGXRCSA-N 1 0 346.431 3.485 20 5 EGBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H](C)Cn2ccnc2C)cc1[N+](=O)[O-] ZINC000153585839 528606968 /nfs/dbraw/zinc/60/69/68/528606968.db2.gz NVAFWUCMSOVRLQ-KGLIPLIRSA-N 1 0 346.431 3.485 20 5 EGBDRO CC[C@@H]([NH2+]CC(=O)N1C[C@H](C)C[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000181525492 529153741 /nfs/dbraw/zinc/15/37/41/529153741.db2.gz VGGDWMJWMDKCDA-JKIFEVAISA-N 1 0 333.432 3.140 20 5 EGBDRO CCN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000227874321 535737443 /nfs/dbraw/zinc/73/74/43/535737443.db2.gz VOQWXUXDJFAKHQ-UHFFFAOYSA-N 1 0 329.422 3.003 20 5 EGBDRO CC[C@@H](NC(=O)C[C@H](C)C1CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000236911613 535787846 /nfs/dbraw/zinc/78/78/46/535787846.db2.gz PZRMMSARZTWCGE-SUMWQHHRSA-N 1 0 333.432 3.188 20 5 EGBDRO CC[C@@H]1CO[C@H](C)C[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000264145409 535853018 /nfs/dbraw/zinc/85/30/18/535853018.db2.gz BWVDQHAGRDRBTP-UKRRQHHQSA-N 1 0 345.399 3.292 20 5 EGBDRO CC[N@H+](Cn1cc(C)n(-c2ccccc2[N+](=O)[O-])c1=O)[C@H](C)C(C)C ZINC000728706704 574767895 /nfs/dbraw/zinc/76/78/95/574767895.db2.gz CDXXFBFVPGWNJC-OAHLLOKOSA-N 1 0 346.431 3.180 20 5 EGBDRO Cc1nn(C[N@@H+]2CCC[C@@H](Cc3ccccc3)C2)c(C)c1[N+](=O)[O-] ZINC000729985934 574901505 /nfs/dbraw/zinc/90/15/05/574901505.db2.gz SCSISOVKUBLXJC-KRWDZBQOSA-N 1 0 328.416 3.320 20 5 EGBDRO O=[N+]([O-])c1ccc2nc(N3CC[C@H](C[NH+]4CCCC4)C3)sc2c1 ZINC000739897212 576516537 /nfs/dbraw/zinc/51/65/37/576516537.db2.gz BPIZQKLMJKNBIG-GFCCVEGCSA-N 1 0 332.429 3.127 20 5 EGBDRO O=[N+]([O-])c1ccc(NC(=S)N2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000741872612 576729780 /nfs/dbraw/zinc/72/97/80/576729780.db2.gz UJWAHURZGAVFHG-AWEZNQCLSA-N 1 0 348.472 3.099 20 5 EGBDRO CC(C)[NH2+][C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000742399122 576779342 /nfs/dbraw/zinc/77/93/42/576779342.db2.gz APSSKEZFSUEYSU-LLVKDONJSA-N 1 0 342.237 3.324 20 5 EGBDRO C[C@H](CNC(=O)OC(C)(C)C)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000090715566 1292805514 /nfs/dbraw/zinc/80/55/14/1292805514.db2.gz QAMILMXHWOTHOI-QWHCGFSZSA-N 1 0 337.420 3.406 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]C[C@@]2(O)CCc3ccccc32)cc1[N+](=O)[O-] ZINC000090779795 1292806145 /nfs/dbraw/zinc/80/61/45/1292806145.db2.gz ITAKTGSPZLSIPR-LIRRHRJNSA-N 1 0 326.396 3.388 20 5 EGBDRO Cc1c(-c2noc(CCCC[NH+]3CCCC3)n2)cccc1[N+](=O)[O-] ZINC000834842998 1293157058 /nfs/dbraw/zinc/15/70/58/1293157058.db2.gz FPTHEZVISJGDEO-UHFFFAOYSA-N 1 0 330.388 3.372 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)CCNC(=O)OC(C)(C)C ZINC000835076842 1293202541 /nfs/dbraw/zinc/20/25/41/1293202541.db2.gz DZJMYPAYAIATPR-KAMYIIQDSA-N 1 0 349.431 3.455 20 5 EGBDRO CC(C)(CCC(=O)OC[C@H]1CCC[N@H+](Cc2ccccc2)C1)[N+](=O)[O-] ZINC000835165432 1293223655 /nfs/dbraw/zinc/22/36/55/1293223655.db2.gz YPIPKHDZGRGHCH-KRWDZBQOSA-N 1 0 348.443 3.277 20 5 EGBDRO CC[C@H]([NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000119815952 1293289480 /nfs/dbraw/zinc/28/94/80/1293289480.db2.gz VDNRACGFHQLWHA-JSGCOSHPSA-N 1 0 343.221 3.405 20 5 EGBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1OC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000835481797 1293299928 /nfs/dbraw/zinc/29/99/28/1293299928.db2.gz QKZUVXBZPQZATR-WBVHZDCISA-N 1 0 348.443 3.276 20 5 EGBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000154931964 1294076699 /nfs/dbraw/zinc/07/66/99/1294076699.db2.gz WLYJYHWWWDFLES-RYUDHWBXSA-N 1 0 339.823 3.098 20 5 EGBDRO CCN(Cc1ccccc1)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000172891490 1294447720 /nfs/dbraw/zinc/44/77/20/1294447720.db2.gz JGHSNBWJGUPXPY-UHFFFAOYSA-N 1 0 337.383 3.333 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ncn(C[N@@H+]3CCC4(CCCC4)C3)n2)cc1 ZINC000173443035 1294462161 /nfs/dbraw/zinc/46/21/61/1294462161.db2.gz VGVXDWAOGTYIBS-UHFFFAOYSA-N 1 0 327.388 3.077 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC2(CCCC2)C1 ZINC000173821685 1294471332 /nfs/dbraw/zinc/47/13/32/1294471332.db2.gz LFIQEYGNAMBNAQ-UHFFFAOYSA-N 1 0 331.416 3.498 20 5 EGBDRO C[C@@](O)(C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccco1 ZINC000174529581 1294507067 /nfs/dbraw/zinc/50/70/67/1294507067.db2.gz OTPHMPVENJPHOM-GOSISDBHSA-N 1 0 342.351 3.445 20 5 EGBDRO CC1(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)OCCO1 ZINC000179554840 1294803580 /nfs/dbraw/zinc/80/35/80/1294803580.db2.gz VXDNCOYKMPSOSN-UHFFFAOYSA-N 1 0 334.397 3.176 20 5 EGBDRO C[C@]1(O)CCCN(Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000230380204 1296162746 /nfs/dbraw/zinc/16/27/46/1296162746.db2.gz CDZSJIDJGYNPJZ-AWEZNQCLSA-N 1 0 343.221 3.094 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCOC[C@H]1CCOC1 ZINC000872036512 1296687215 /nfs/dbraw/zinc/68/72/15/1296687215.db2.gz SVQGORMUJUTASP-STQMWFEESA-N 1 0 340.445 3.020 20 5 EGBDRO C[C@]1(CNc2ncccc2[N+](=O)[O-])CC[N@H+](Cc2ccccc2)C1 ZINC000310098223 1297088677 /nfs/dbraw/zinc/08/86/77/1297088677.db2.gz WGVPTDLNQOVCJQ-GOSISDBHSA-N 1 0 326.400 3.314 20 5 EGBDRO Cc1c(C[NH2+]Cc2cccc(N3CCOC3=O)c2)cccc1[N+](=O)[O-] ZINC000873020330 1297228968 /nfs/dbraw/zinc/22/89/68/1297228968.db2.gz OCXCFZXRIPJDRH-UHFFFAOYSA-N 1 0 341.367 3.150 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H](O)c1c(F)cccc1F ZINC000873058429 1297251935 /nfs/dbraw/zinc/25/19/35/1297251935.db2.gz FRWZKFSUHFEVOQ-MRXNPFEDSA-N 1 0 336.338 3.313 20 5 EGBDRO COc1cccc([C@@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2C)OC)c1 ZINC000873141017 1297297269 /nfs/dbraw/zinc/29/72/69/1297297269.db2.gz ZGMOHDBRVJSYQM-GOSISDBHSA-N 1 0 330.384 3.389 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000874048702 1297772098 /nfs/dbraw/zinc/77/20/98/1297772098.db2.gz WOZISYICKLGJAU-CQSZACIVSA-N 1 0 347.459 3.454 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000874248828 1297831838 /nfs/dbraw/zinc/83/18/38/1297831838.db2.gz KVMKVZQISBABHA-HNNXBMFYSA-N 1 0 333.432 3.062 20 5 EGBDRO CC(C)[NH+]1CCC(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000875295501 1298286378 /nfs/dbraw/zinc/28/63/78/1298286378.db2.gz MMUQGARYEJPVLH-UHFFFAOYSA-N 1 0 325.796 3.307 20 5 EGBDRO C[C@@H]([NH2+]C[C@H]1CCN1C(=O)OC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000724953547 1298351498 /nfs/dbraw/zinc/35/14/98/1298351498.db2.gz RXBKKPABTSOOLH-IUODEOHRSA-N 1 0 335.404 3.255 20 5 EGBDRO C[N@@H+]1CCCC[C@H]1CCOC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000747575813 1298803123 /nfs/dbraw/zinc/80/31/23/1298803123.db2.gz NTNMSMGTWLKPPU-LBPRGKRZSA-N 1 0 326.780 3.279 20 5 EGBDRO COC(=O)CC[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000877818822 1299580889 /nfs/dbraw/zinc/58/08/89/1299580889.db2.gz PTUODNHWWZRDTQ-GFCCVEGCSA-N 1 0 340.807 3.413 20 5 EGBDRO C[N@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C(C1CC1)C1CC1 ZINC000878017378 1299708478 /nfs/dbraw/zinc/70/84/78/1299708478.db2.gz ABYDUMIQQXFQLB-UHFFFAOYSA-N 1 0 328.372 3.265 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000878134026 1299769246 /nfs/dbraw/zinc/76/92/46/1299769246.db2.gz NZTRDXDRNRDHGT-QGZVFWFLSA-N 1 0 343.431 3.003 20 5 EGBDRO C[C@@H](O)C[C@H]1CCCN1Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000752812290 1299798221 /nfs/dbraw/zinc/79/82/21/1299798221.db2.gz MXFCJAJRWJPAAB-GHMZBOCLSA-N 1 0 337.401 3.065 20 5 EGBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1csc2ccccc21 ZINC000754733429 1300204706 /nfs/dbraw/zinc/20/47/06/1300204706.db2.gz CXJKRGBDDOYTLA-LBPRGKRZSA-N 1 0 343.408 3.322 20 5 EGBDRO CCC1(CC)CC[N@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000755929974 1300418095 /nfs/dbraw/zinc/41/80/95/1300418095.db2.gz FCPZORKIJFCHIF-UHFFFAOYSA-N 1 0 329.404 3.323 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](C)CNC(=O)OC(C)(C)C ZINC000756068788 1300434523 /nfs/dbraw/zinc/43/45/23/1300434523.db2.gz ABZJIXMUKSEHMR-QWHCGFSZSA-N 1 0 337.420 3.467 20 5 EGBDRO CC(C)(C)OC(=O)N1CCC[C@H]1C[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000758610176 1300920971 /nfs/dbraw/zinc/92/09/71/1300920971.db2.gz RNMDBWSGYKLSGJ-INIZCTEOSA-N 1 0 349.431 3.126 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@H](O)c2ccc(Cl)c(F)c2)cc1 ZINC000759044735 1301002538 /nfs/dbraw/zinc/00/25/38/1301002538.db2.gz QIVVSRYAKICOQX-INIZCTEOSA-N 1 0 338.766 3.253 20 5 EGBDRO C[NH+](C)C[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C1 ZINC000761213961 1301421562 /nfs/dbraw/zinc/42/15/62/1301421562.db2.gz VTZLTEYJMCTWOM-HNNXBMFYSA-N 1 0 340.427 3.435 20 5 EGBDRO CN(CC[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)Cc1ccccc1 ZINC000761522911 1301490783 /nfs/dbraw/zinc/49/07/83/1301490783.db2.gz NIFZBLJGFKXNOR-UHFFFAOYSA-N 1 0 333.819 3.470 20 5 EGBDRO C[C@H](c1ccncc1)[NH+]1CCC(Nc2ccnc(F)c2[N+](=O)[O-])CC1 ZINC000882124103 1301839730 /nfs/dbraw/zinc/83/97/30/1301839730.db2.gz NOJVNHNWTUSZBY-GFCCVEGCSA-N 1 0 345.378 3.161 20 5 EGBDRO CN(C)C1(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCCC1 ZINC000764655463 1302111330 /nfs/dbraw/zinc/11/13/30/1302111330.db2.gz WIFHJOSLOWVBMY-UHFFFAOYSA-N 1 0 346.475 3.028 20 5 EGBDRO C[C@@](O)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1ccccc1Cl ZINC000764984347 1302182109 /nfs/dbraw/zinc/18/21/09/1302182109.db2.gz UFRFMRODZUUEEW-MRXNPFEDSA-N 1 0 338.766 3.385 20 5 EGBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000765387616 1302259988 /nfs/dbraw/zinc/25/99/88/1302259988.db2.gz XDFZCLMMOHOQRP-NVXWUHKLSA-N 1 0 347.459 3.154 20 5 EGBDRO COc1ccc(F)cc1[C@@H](C)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000765848657 1302339388 /nfs/dbraw/zinc/33/93/88/1302339388.db2.gz LEJPLPPRFRWXJW-BZNIZROVSA-N 1 0 334.347 3.127 20 5 EGBDRO C[NH+](C)CCCC1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000766443881 1302453857 /nfs/dbraw/zinc/45/38/57/1302453857.db2.gz VGEBPMGHPNVODB-UHFFFAOYSA-N 1 0 336.392 3.061 20 5 EGBDRO C[N@H+](CCOC(=O)c1ccc([N+](=O)[O-])cc1)Cc1ccc(F)cc1 ZINC000769068875 1303041359 /nfs/dbraw/zinc/04/13/59/1303041359.db2.gz URYYZAXGGAEEOQ-UHFFFAOYSA-N 1 0 332.331 3.023 20 5 EGBDRO O=[N+]([O-])c1ccc(CCCC[NH2+][C@@H]2CCOC3(CCOCC3)C2)cc1 ZINC000886000026 1303314071 /nfs/dbraw/zinc/31/40/71/1303314071.db2.gz SIQCQWZTMOSIGF-QGZVFWFLSA-N 1 0 348.443 3.235 20 5 EGBDRO Cc1ccc(-n2cnc3c2CCN(Cc2cccnc2[N+](=O)[O-])C3)cc1 ZINC000886170001 1303386008 /nfs/dbraw/zinc/38/60/08/1303386008.db2.gz NFBQIBRDCXRYSD-UHFFFAOYSA-N 1 0 349.394 3.042 20 5 EGBDRO Cc1ncc(CC[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)s1 ZINC000773084424 1303621810 /nfs/dbraw/zinc/62/18/10/1303621810.db2.gz ZPWRERZYJRTRIF-UHFFFAOYSA-N 1 0 346.456 3.161 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+][C@H](CO)C[C@H](O)c2ccccc2)cc1[N+](=O)[O-] ZINC000773102981 1303624703 /nfs/dbraw/zinc/62/47/03/1303624703.db2.gz ABZUHPVSFHTPBQ-FNHZYXHNSA-N 1 0 344.411 3.038 20 5 EGBDRO CC[C@@H](CSC)[N@H+](C)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000773253472 1303649900 /nfs/dbraw/zinc/64/99/00/1303649900.db2.gz AZJLFOTUSSSYRG-HNNXBMFYSA-N 1 0 334.445 3.489 20 5 EGBDRO COc1cc(NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000774513616 1303818548 /nfs/dbraw/zinc/81/85/48/1303818548.db2.gz DODNXCUFMNKWBE-CHWSQXEVSA-N 1 0 337.420 3.287 20 5 EGBDRO C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000775928770 1304062919 /nfs/dbraw/zinc/06/29/19/1304062919.db2.gz AZKJHFJIDBRWNC-INIZCTEOSA-N 1 0 349.431 3.330 20 5 EGBDRO CCO[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1(CC)CC ZINC000776157619 1304103509 /nfs/dbraw/zinc/10/35/09/1304103509.db2.gz SHMQZUBTWNLZBJ-GVDBMIGSSA-N 1 0 336.432 3.202 20 5 EGBDRO COc1ccc([C@@H](C)[N@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000776277239 1304126604 /nfs/dbraw/zinc/12/66/04/1304126604.db2.gz QBOOHXUMWCJRMO-FZKQIMNGSA-N 1 0 330.384 3.330 20 5 EGBDRO Cc1cc(C)c(CC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000776276575 1304126645 /nfs/dbraw/zinc/12/66/45/1304126645.db2.gz KRBUNBXPKJZVER-IBGZPJMESA-N 1 0 328.412 3.386 20 5 EGBDRO CC(C)COc1ccccc1C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776278822 1304127727 /nfs/dbraw/zinc/12/77/27/1304127727.db2.gz WAHWFCAPORXSFU-SFHVURJKSA-N 1 0 344.411 3.453 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH+]2CCC(OC3CCCCC3)CC2)cc1 ZINC000776579075 1304173208 /nfs/dbraw/zinc/17/32/08/1304173208.db2.gz IQXAOKOSHBJHDK-IBGZPJMESA-N 1 0 348.443 3.442 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CC[C@H](Cc3ccccc3)C2)cc1 ZINC000776583902 1304174559 /nfs/dbraw/zinc/17/45/59/1304174559.db2.gz GYXCYPKYIVJIMO-APWZRJJASA-N 1 0 326.396 3.193 20 5 EGBDRO C[C@@H]1c2c(F)cccc2CC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776584970 1304175049 /nfs/dbraw/zinc/17/50/49/1304175049.db2.gz QBRWYAATZUXYCY-PXAZEXFGSA-N 1 0 330.359 3.387 20 5 EGBDRO Cc1cccc([C@H]2CCC[N@@H+]2C[C@H](O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000776586881 1304176296 /nfs/dbraw/zinc/17/62/96/1304176296.db2.gz RJXPBXFCEYRRAJ-MSOLQXFVSA-N 1 0 327.384 3.169 20 5 EGBDRO CC[C@@](C)([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1nc(C)cs1 ZINC000776591919 1304177591 /nfs/dbraw/zinc/17/75/91/1304177591.db2.gz RXXZSFUICNUKDO-GDBMZVCRSA-N 1 0 335.429 3.308 20 5 EGBDRO Cc1cccnc1[C@@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000776592328 1304177723 /nfs/dbraw/zinc/17/77/23/1304177723.db2.gz LCODBRAAZWKSGD-IRXDYDNUSA-N 1 0 329.400 3.319 20 5 EGBDRO C[NH+](C)Cc1cccc(NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)c1 ZINC000777942876 1304370031 /nfs/dbraw/zinc/37/00/31/1304370031.db2.gz QWQAYZNCLWOICF-UHFFFAOYSA-N 1 0 349.337 3.387 20 5 EGBDRO COCC[N@H+](Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1)C1CCCC1 ZINC000777954885 1304372160 /nfs/dbraw/zinc/37/21/60/1304372160.db2.gz QHBKFOKNQLOKKU-UHFFFAOYSA-N 1 0 344.415 3.307 20 5 EGBDRO CN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)C(C)(C)C[NH+]1CCCCCC1 ZINC000778219357 1304421552 /nfs/dbraw/zinc/42/15/52/1304421552.db2.gz ZTLKKZYXWDYBQP-GOSISDBHSA-N 1 0 349.475 3.215 20 5 EGBDRO CC(C)[C@H](Cc1ccccc1)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000779023316 1304519406 /nfs/dbraw/zinc/51/94/06/1304519406.db2.gz BTMHSSPKVOFGTQ-RBUKOAKNSA-N 1 0 328.412 3.485 20 5 EGBDRO CCS[C@@H]1CC[C@@H]([N@H+](C)Cc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC000892197573 1305279107 /nfs/dbraw/zinc/27/91/07/1305279107.db2.gz RPVMUIABRIBASV-CHWSQXEVSA-N 1 0 340.445 3.415 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@](C)(O)c1ccccc1 ZINC000786811991 1305633320 /nfs/dbraw/zinc/63/33/20/1305633320.db2.gz GCOXNMVNASIQMZ-HVEPWOEZSA-N 1 0 326.396 3.495 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000893133847 1305726522 /nfs/dbraw/zinc/72/65/22/1305726522.db2.gz GINMRDVXNSIUHR-HIFRSBDPSA-N 1 0 342.848 3.393 20 5 EGBDRO CCOC(=O)N[C@H]1CCC[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000787406162 1305742055 /nfs/dbraw/zinc/74/20/55/1305742055.db2.gz GKEPSJURKVLCQQ-DKGMDFAASA-N 1 0 347.415 3.209 20 5 EGBDRO CCOC(=O)c1cc([N+](=O)[O-])c(N2CCC[C@@H]([NH+](C)C)CC2)cc1C ZINC000893492885 1305927399 /nfs/dbraw/zinc/92/73/99/1305927399.db2.gz UIQUODWBRFIDLG-CQSZACIVSA-N 1 0 349.431 3.000 20 5 EGBDRO C[C@H]([NH2+]CCCCNc1ccccn1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788589016 1305975638 /nfs/dbraw/zinc/97/56/38/1305975638.db2.gz POKFZTHSYBTIDT-ZDUSSCGKSA-N 1 0 329.404 3.115 20 5 EGBDRO COCC[N@H+](Cn1nc(C)c2ccc([N+](=O)[O-])cc21)[C@H]1CC[C@@H](C)C1 ZINC000790479566 1306333162 /nfs/dbraw/zinc/33/31/62/1306333162.db2.gz PVUJCZZINQTGBD-HIFRSBDPSA-N 1 0 346.431 3.347 20 5 EGBDRO C[C@@H]1CCSCC[N@@H+]1Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000790477984 1306333603 /nfs/dbraw/zinc/33/36/03/1306333603.db2.gz NHXUBTOGYDRJKQ-CYBMUJFWSA-N 1 0 332.429 3.243 20 5 EGBDRO CSc1ccccc1C[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000791604696 1309032019 /nfs/dbraw/zinc/03/20/19/1309032019.db2.gz YGTVGEDRXLBFNQ-INIZCTEOSA-N 1 0 332.425 3.482 20 5 EGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]CCO[C@H]1CCCCO1 ZINC000894792863 1309073659 /nfs/dbraw/zinc/07/36/59/1309073659.db2.gz DYAFLZSCJYUAMJ-AWEZNQCLSA-N 1 0 348.321 3.246 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H](C)NC(=O)OC(C)(C)C ZINC000794824648 1309601697 /nfs/dbraw/zinc/60/16/97/1309601697.db2.gz LDFBVSDCLHDLII-OLZOCXBDSA-N 1 0 337.420 3.467 20 5 EGBDRO O=C(CC[NH+]1CCC(C2CC2)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000794893581 1309616306 /nfs/dbraw/zinc/61/63/06/1309616306.db2.gz KGQWJVKGNIBHNK-UHFFFAOYSA-N 1 0 335.379 3.185 20 5 EGBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@H](O)c1ccc(F)c(F)c1 ZINC000796114001 1309911735 /nfs/dbraw/zinc/91/17/35/1309911735.db2.gz FNMQZUAOBCYQIY-KRWDZBQOSA-N 1 0 336.338 3.081 20 5 EGBDRO C[C@@](O)(C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)c1cccc(F)c1 ZINC000896565334 1309917787 /nfs/dbraw/zinc/91/77/87/1309917787.db2.gz VUYKEVLPIHOOMN-MRXNPFEDSA-N 1 0 338.766 3.385 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC[C@H](C)[NH+]2CCCCC2)c1C ZINC000897375794 1310312358 /nfs/dbraw/zinc/31/23/58/1310312358.db2.gz DSINNXGNAGFDBE-AWEZNQCLSA-N 1 0 333.432 3.206 20 5 EGBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)c1ccc([N+](=O)[O-])cc1Br ZINC000798395672 1310353667 /nfs/dbraw/zinc/35/36/67/1310353667.db2.gz KNCCTEXPBFUYPN-ZWNOBZJWSA-N 1 0 342.237 3.134 20 5 EGBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)OCCC[NH+]1CCCCC1 ZINC000800221677 1310705631 /nfs/dbraw/zinc/70/56/31/1310705631.db2.gz PIFUBYPMJIIANB-UHFFFAOYSA-N 1 0 336.388 3.026 20 5 EGBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000899150078 1310956701 /nfs/dbraw/zinc/95/67/01/1310956701.db2.gz YMHLXBXKMFERKU-INIZCTEOSA-N 1 0 333.432 3.205 20 5 EGBDRO CC[N@H+](C)Cc1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2F)c1 ZINC000823254220 1320165639 /nfs/dbraw/zinc/16/56/39/1320165639.db2.gz UGRVCDUGMLQUHK-UHFFFAOYSA-N 1 0 345.374 3.116 20 5 EGBDRO CC[NH+](CC)C[C@@H](C)NC(=O)c1cc(Cl)c(C)cc1[N+](=O)[O-] ZINC000836696665 1320522468 /nfs/dbraw/zinc/52/24/68/1320522468.db2.gz AHKCNUNAGBRFDP-LLVKDONJSA-N 1 0 327.812 3.017 20 5 EGBDRO C[N@@H+]1CCC[C@H](CCNC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000838764375 1320813980 /nfs/dbraw/zinc/81/39/80/1320813980.db2.gz DFHJEMKTAWNRNS-LLVKDONJSA-N 1 0 340.811 3.102 20 5 EGBDRO O=C(NCCC[NH+]1CCCCCC1)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000929471941 1328606971 /nfs/dbraw/zinc/60/69/71/1328606971.db2.gz ZXWQYUVMOGPEEX-MSOLQXFVSA-N 1 0 345.443 3.081 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H]2C[C@@H]2c2nc(C3C[C@H]4CC[C@@H](C3)[NH2+]4)no2)c1 ZINC000900016930 1317218060 /nfs/dbraw/zinc/21/80/60/1317218060.db2.gz TZLKUMLXUDCXOA-CNJBTJPRSA-N 1 0 340.383 3.247 20 5 EGBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1c1nc2ccc([N+](=O)[O-])cc2s1 ZINC000804852533 1317294475 /nfs/dbraw/zinc/29/44/75/1317294475.db2.gz KDWMBOZHXGBBTF-BXUZGUMPSA-N 1 0 332.429 3.268 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CCCC3(F)F)CC2)cc1 ZINC000806179555 1317470287 /nfs/dbraw/zinc/47/02/87/1317470287.db2.gz DRRLEWBMBHGWQV-OAHLLOKOSA-N 1 0 325.359 3.341 20 5 EGBDRO O=C(C=C1CCCCC1)N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001020015324 1317501371 /nfs/dbraw/zinc/50/13/71/1317501371.db2.gz ZCSHABFUONTVJT-QAQDUYKDSA-N 1 0 343.427 3.222 20 5 EGBDRO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)CC1CCN(C(=O)C(C)C)CC1 ZINC000957676924 1317549314 /nfs/dbraw/zinc/54/93/14/1317549314.db2.gz IXOLZRFOJMKTJQ-UHFFFAOYSA-N 1 0 347.459 3.311 20 5 EGBDRO Cc1csc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)c1 ZINC001020131603 1317555439 /nfs/dbraw/zinc/55/54/39/1317555439.db2.gz PVQHOGLGGZZLKK-HDJSIYSDSA-N 1 0 345.424 3.015 20 5 EGBDRO CCn1c(C)nc([N+](=O)[O-])c1NC1CCC([NH+]2CCCCC2)CC1 ZINC000807991758 1317608739 /nfs/dbraw/zinc/60/87/39/1317608739.db2.gz SFZBRLZBCSGBOG-UHFFFAOYSA-N 1 0 335.452 3.329 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]Cc2cc(Cl)cc3c2OCC3)cc1 ZINC000809733390 1317882861 /nfs/dbraw/zinc/88/28/61/1317882861.db2.gz VDHNQXLPQZFTTM-INIZCTEOSA-N 1 0 348.786 3.006 20 5 EGBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000809914064 1317916819 /nfs/dbraw/zinc/91/68/19/1317916819.db2.gz ALSALIYVURSGAU-LLVKDONJSA-N 1 0 340.811 3.244 20 5 EGBDRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000905853538 1318008528 /nfs/dbraw/zinc/00/85/28/1318008528.db2.gz SNNYZDNKUOHWPT-CHWSQXEVSA-N 1 0 343.383 3.281 20 5 EGBDRO COC(=O)CC1CCC([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000858380163 1328748316 /nfs/dbraw/zinc/74/83/16/1328748316.db2.gz VWTIJWLXNRBUBN-UHFFFAOYSA-N 1 0 340.807 3.460 20 5 EGBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000811583379 1318205665 /nfs/dbraw/zinc/20/56/65/1318205665.db2.gz CLAXASVWUGDCAD-NSHDSACASA-N 1 0 327.812 3.098 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCCC[C@@H]2[C@H]2CCCC[C@H]2O)cc1 ZINC000812841257 1318469144 /nfs/dbraw/zinc/46/91/44/1318469144.db2.gz OHFONBFZVKNYPJ-NCXUSEDFSA-N 1 0 348.443 3.034 20 5 EGBDRO O=C(CC1=CCCCC1)N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001021900393 1318725318 /nfs/dbraw/zinc/72/53/18/1318725318.db2.gz BESAYWRSUGWTLR-CALCHBBNSA-N 1 0 343.427 3.222 20 5 EGBDRO O=C(NCC[NH2+]C1CCCCCC1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000911841036 1318770827 /nfs/dbraw/zinc/77/08/27/1318770827.db2.gz OMHIIILISYVZRC-ZWKOTPCHSA-N 1 0 345.443 3.127 20 5 EGBDRO O=C(OCc1ccccc1[N+](=O)[O-])[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000815448836 1318989776 /nfs/dbraw/zinc/98/97/76/1318989776.db2.gz VSLWZEBBDNHWAM-QGZVFWFLSA-N 1 0 332.400 3.435 20 5 EGBDRO C[C@H]([NH2+]CCCN(C)c1ccccc1F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815562958 1319016310 /nfs/dbraw/zinc/01/63/10/1319016310.db2.gz QKHPOKAQWSTKHB-ZDUSSCGKSA-N 1 0 346.406 3.493 20 5 EGBDRO COc1cccc(CC[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1OC ZINC000815561346 1319016844 /nfs/dbraw/zinc/01/68/44/1319016844.db2.gz DYNRSSRTFFDVOZ-LBPRGKRZSA-N 1 0 345.399 3.088 20 5 EGBDRO C[C@H]([NH2+]CCN1CCCc2ccccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815570121 1319018231 /nfs/dbraw/zinc/01/82/31/1319018231.db2.gz RQIFTZVTLQJQTJ-AWEZNQCLSA-N 1 0 340.427 3.280 20 5 EGBDRO C[C@@H](C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)Oc1ccc(F)cc1 ZINC000815583292 1319021612 /nfs/dbraw/zinc/02/16/12/1319021612.db2.gz BLAFJAJFCQMEJO-RYUDHWBXSA-N 1 0 333.363 3.434 20 5 EGBDRO C[C@H]([NH2+]C[C@H]1OCCc2ccccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815592477 1319023903 /nfs/dbraw/zinc/02/39/03/1319023903.db2.gz JHMMUWCSQJTWQI-KPZWWZAWSA-N 1 0 327.384 3.142 20 5 EGBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000817494990 1319378558 /nfs/dbraw/zinc/37/85/58/1319378558.db2.gz MEOGAVYZKKHBKT-JTQLQIEISA-N 1 0 346.214 3.068 20 5 EGBDRO C[C@H](CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC000915600692 1319506048 /nfs/dbraw/zinc/50/60/48/1319506048.db2.gz WAUIGFAGDYEBLD-VXGBXAGGSA-N 1 0 339.823 3.241 20 5 EGBDRO Cc1[nH]c2ccccc2c1CC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819005491 1319611286 /nfs/dbraw/zinc/61/12/86/1319611286.db2.gz RMPGCLHDIFFKGL-IBGZPJMESA-N 1 0 339.395 3.250 20 5 EGBDRO CC[C@H]1CCCN(C(C)(C)C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000819047624 1319622651 /nfs/dbraw/zinc/62/26/51/1319622651.db2.gz XGDKJZLIWDHOAZ-MAUKXSAKSA-N 1 0 349.475 3.118 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@H]2SCCc3ccccc32)c1 ZINC000819132656 1319643243 /nfs/dbraw/zinc/64/32/43/1319643243.db2.gz GTYFDVZHRYAFSF-QZTJIDSGSA-N 1 0 344.436 3.248 20 5 EGBDRO CC[C@@H](C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)Oc1cccc(C)c1 ZINC000819136988 1319645168 /nfs/dbraw/zinc/64/51/68/1319645168.db2.gz SDOIESPIJAUOOT-PKOBYXMFSA-N 1 0 344.411 3.384 20 5 EGBDRO Cc1cccc(C)c1C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000819170821 1319656911 /nfs/dbraw/zinc/65/69/11/1319656911.db2.gz AZENFSNQFPCSFU-UHFFFAOYSA-N 1 0 327.384 3.330 20 5 EGBDRO COc1ccc(C[C@@H](C)C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000819189677 1319661710 /nfs/dbraw/zinc/66/17/10/1319661710.db2.gz DPRHVIKIVLZZPR-KUHUBIRLSA-N 1 0 344.411 3.105 20 5 EGBDRO O=[N+]([O-])c1cccc(CC[NH2+]C[C@@H](O)c2ccc(Cl)c(F)c2)c1 ZINC000819189326 1319661806 /nfs/dbraw/zinc/66/18/06/1319661806.db2.gz AKXKCKWBCFFTGX-MRXNPFEDSA-N 1 0 338.766 3.253 20 5 EGBDRO CC(C)(C)c1nc(CC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cs1 ZINC000819196539 1319664641 /nfs/dbraw/zinc/66/46/41/1319664641.db2.gz HLOSTVWDQGGWCE-HNNXBMFYSA-N 1 0 349.456 3.215 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@@H]2CCC3(CCCCC3)O2)cc1 ZINC000819259027 1319681954 /nfs/dbraw/zinc/68/19/54/1319681954.db2.gz DOVNFHVDPFVVLV-IRXDYDNUSA-N 1 0 334.416 3.100 20 5 EGBDRO CSCc1cccc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000819254826 1319682181 /nfs/dbraw/zinc/68/21/81/1319682181.db2.gz YGVWQZDKBLBUFA-KRWDZBQOSA-N 1 0 332.425 3.281 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@@H]2CCC3(CCCCC3)O2)c1 ZINC000819261802 1319683495 /nfs/dbraw/zinc/68/34/95/1319683495.db2.gz NKRVILDSDJMGJH-IRXDYDNUSA-N 1 0 334.416 3.100 20 5 EGBDRO Cc1cc(CC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)ccc1Cl ZINC000819322731 1319697011 /nfs/dbraw/zinc/69/70/11/1319697011.db2.gz HYUSIBXEVKLHTL-QGZVFWFLSA-N 1 0 334.803 3.422 20 5 EGBDRO COc1cccc([C@@H]2C[C@H]2C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000819367513 1319711121 /nfs/dbraw/zinc/71/11/21/1319711121.db2.gz IBWVPNVBLSPOPK-ZYSHUDEJSA-N 1 0 342.395 3.030 20 5 EGBDRO Cc1c(C[NH2+]Cc2ccc(Cn3cccn3)cc2)cccc1[N+](=O)[O-] ZINC000917134662 1319762203 /nfs/dbraw/zinc/76/22/03/1319762203.db2.gz IQHYTCXWZWNZAQ-UHFFFAOYSA-N 1 0 336.395 3.438 20 5 EGBDRO CCC[NH+]1CCC(N(C)C(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000930450399 1328857750 /nfs/dbraw/zinc/85/77/50/1328857750.db2.gz GYMHOLDGQFSDAX-ROUUACIJSA-N 1 0 345.443 3.031 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000821424336 1320012099 /nfs/dbraw/zinc/01/20/99/1320012099.db2.gz HLOBBCBWCFYSIE-CQSZACIVSA-N 1 0 333.432 3.014 20 5 EGBDRO COCC1(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCCC1 ZINC000825244980 1320321481 /nfs/dbraw/zinc/32/14/81/1320321481.db2.gz CGUKNAKVIVEFAK-UHFFFAOYSA-N 1 0 347.459 3.360 20 5 EGBDRO CC[C@H]1C[N@H+](CC)CCN1C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000836600192 1320509714 /nfs/dbraw/zinc/50/97/14/1320509714.db2.gz SQEUPSDTHDIRHU-NSHDSACASA-N 1 0 340.811 3.196 20 5 EGBDRO CC1(c2ccccc2)CC([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000838985675 1320846862 /nfs/dbraw/zinc/84/68/62/1320846862.db2.gz AWZDYKPGNIHCFR-CUYAVPTFSA-N 1 0 326.396 3.338 20 5 EGBDRO OC[C@@H]1C[N@H+](Cc2c3ccccc3c(Cl)c3ccccc32)C[C@H]1O ZINC000839169223 1320883713 /nfs/dbraw/zinc/88/37/13/1320883713.db2.gz GZKBXYCCVZHDKH-ORAYPTAESA-N 1 0 341.838 3.431 20 5 EGBDRO CC[C@@H]1CN(CC)CCN1C(=O)c1cc(Cl)c(C)cc1[N+](=O)[O-] ZINC000839416668 1320916018 /nfs/dbraw/zinc/91/60/18/1320916018.db2.gz NNLPKLWLMBXFKR-GFCCVEGCSA-N 1 0 339.823 3.113 20 5 EGBDRO CO[C@H]1C[C@H]([N@H+](C)Cn2nc(C)c3ccc([N+](=O)[O-])cc32)C12CCC2 ZINC000840143668 1321037968 /nfs/dbraw/zinc/03/79/68/1321037968.db2.gz WKDPDEJYZYWMRC-IRXDYDNUSA-N 1 0 344.415 3.100 20 5 EGBDRO O=C(OCCC[NH+]1CCCCC1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000840656107 1321124198 /nfs/dbraw/zinc/12/41/98/1321124198.db2.gz JTQSGJWRYOGHKD-DLBZAZTESA-N 1 0 332.400 3.118 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1CN(C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859215999 1328949006 /nfs/dbraw/zinc/94/90/06/1328949006.db2.gz VVGJPUOAOZDSEH-UHFFFAOYSA-N 1 0 343.427 3.297 20 5 EGBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000930732817 1328953103 /nfs/dbraw/zinc/95/31/03/1328953103.db2.gz WXEUSAHYWTVBPQ-CQSZACIVSA-N 1 0 334.420 3.099 20 5 EGBDRO CCC[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H](O)c1ccccc1 ZINC000843086530 1321467286 /nfs/dbraw/zinc/46/72/86/1321467286.db2.gz HBVNUYDHSSTGJU-OTWHNJEPSA-N 1 0 344.411 3.120 20 5 EGBDRO Cc1cc(-c2noc(C[C@@H](C)[C@@H]3CCC[NH2+]C3)n2)cc([N+](=O)[O-])c1 ZINC000843239110 1321495291 /nfs/dbraw/zinc/49/52/91/1321495291.db2.gz DHEHDEHKXXQHLP-CHWSQXEVSA-N 1 0 330.388 3.131 20 5 EGBDRO CCN(CCC[NH+](CC)CC)C(=O)c1c(C)c(F)ccc1[N+](=O)[O-] ZINC000843864480 1321553716 /nfs/dbraw/zinc/55/37/16/1321553716.db2.gz XELDISIVACXIJG-UHFFFAOYSA-N 1 0 339.411 3.236 20 5 EGBDRO CC(C)(C)[N@@H+]1CC[C@@H]1COC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000845739492 1321740590 /nfs/dbraw/zinc/74/05/90/1321740590.db2.gz HZDPTYLPGRXBGG-CYBMUJFWSA-N 1 0 338.429 3.103 20 5 EGBDRO C[C@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])[C@H](O)c1cccc(F)c1 ZINC000848533636 1321970763 /nfs/dbraw/zinc/97/07/63/1321970763.db2.gz MAETUTZFRNQENK-PBQZTSCYSA-N 1 0 330.359 3.433 20 5 EGBDRO O=C(OCc1cccc([N+](=O)[O-])c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000848776418 1322008199 /nfs/dbraw/zinc/00/81/99/1322008199.db2.gz ZUXZIDHNEXMPRG-KRWDZBQOSA-N 1 0 340.379 3.160 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000850437275 1322249685 /nfs/dbraw/zinc/24/96/85/1322249685.db2.gz KGOUOUKLBJAREE-LBPRGKRZSA-N 1 0 345.355 3.405 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H](O)c1cccc(C)c1 ZINC000850445875 1322250624 /nfs/dbraw/zinc/25/06/24/1322250624.db2.gz JQKJMIJITCGHSN-DYVFJYSZSA-N 1 0 330.384 3.296 20 5 EGBDRO C[C@H](N[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850537946 1322262583 /nfs/dbraw/zinc/26/25/83/1322262583.db2.gz BKVVQDSFEXVTQR-DZGCQCFKSA-N 1 0 332.448 3.235 20 5 EGBDRO CN(CCCC[NH+]1CCCCC1)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000922329022 1322503264 /nfs/dbraw/zinc/50/32/64/1322503264.db2.gz PAUOXJOXTZAIKL-UHFFFAOYSA-N 1 0 337.395 3.072 20 5 EGBDRO C[C@H]1[C@H]([NH+](C)C)CCN1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000931039035 1329034494 /nfs/dbraw/zinc/03/44/94/1329034494.db2.gz UYAFTKOBRSUBEI-IINYFYTJSA-N 1 0 331.338 3.138 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@H]1CCCN1CC(F)(F)F ZINC000922708730 1322598979 /nfs/dbraw/zinc/59/89/79/1322598979.db2.gz MBFJDQRDQHISLY-JHAQOBCDSA-N 1 0 343.349 3.224 20 5 EGBDRO Cc1ccc(C[NH2+]C[C@H]2CCCN2CC(F)(F)F)cc1[N+](=O)[O-] ZINC000922710392 1322599234 /nfs/dbraw/zinc/59/92/34/1322599234.db2.gz YCYJYTVPUBBEBT-CYBMUJFWSA-N 1 0 331.338 3.020 20 5 EGBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)C1 ZINC000931058417 1329039099 /nfs/dbraw/zinc/03/90/99/1329039099.db2.gz YKLGWMKDXOPZLJ-HNNXBMFYSA-N 1 0 348.447 3.407 20 5 EGBDRO C[N@@H+]1CCCC[C@H](CNC(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000931297741 1329088228 /nfs/dbraw/zinc/08/82/28/1329088228.db2.gz PRVKVOWQCFZQEA-LLVKDONJSA-N 1 0 340.811 3.102 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC([NH2+]C2CCC2)CC1 ZINC000931494793 1329130184 /nfs/dbraw/zinc/13/01/84/1329130184.db2.gz RXEIHTKNNGEPQZ-UHFFFAOYSA-N 1 0 346.431 3.296 20 5 EGBDRO COc1cc(N2CC[C@H](C3CC[NH+](C)CC3)C2)c([N+](=O)[O-])cc1C ZINC000853458144 1325096500 /nfs/dbraw/zinc/09/65/00/1325096500.db2.gz QJLNAVZPKMDRKD-HNNXBMFYSA-N 1 0 333.432 3.080 20 5 EGBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1c(F)c(C)cc([N+](=O)[O-])c1F ZINC000854535380 1325275538 /nfs/dbraw/zinc/27/55/38/1325275538.db2.gz WXCIBDQXCQHRKN-NSHDSACASA-N 1 0 343.374 3.032 20 5 EGBDRO O=[N+]([O-])c1c(Br)cccc1N1CC[NH+](C2CCC2)CC1 ZINC000856730749 1325515102 /nfs/dbraw/zinc/51/51/02/1325515102.db2.gz HHBAZEUTPJPVSG-UHFFFAOYSA-N 1 0 340.221 3.032 20 5 EGBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000929118412 1328508903 /nfs/dbraw/zinc/50/89/03/1328508903.db2.gz PFBIWSKXRAGLHP-CQSZACIVSA-N 1 0 334.420 3.099 20 5 EGBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000929118411 1328509518 /nfs/dbraw/zinc/50/95/18/1328509518.db2.gz PFBIWSKXRAGLHP-AWEZNQCLSA-N 1 0 334.420 3.099 20 5 EGBDRO C[NH+](C)CCc1ccc(NC(=O)Cc2cccc(F)c2[N+](=O)[O-])cc1 ZINC000865145739 1329673148 /nfs/dbraw/zinc/67/31/48/1329673148.db2.gz CYZBDHYVMWMWOZ-UHFFFAOYSA-N 1 0 345.374 3.019 20 5 EGBDRO C[NH+](C)[C@]1(CNc2ccc([N+](=O)[O-])cc2C(F)F)CCSC1 ZINC000865583291 1329716400 /nfs/dbraw/zinc/71/64/00/1329716400.db2.gz UHQFBGKGPZLPBO-AWEZNQCLSA-N 1 0 331.388 3.382 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000932212996 1329796595 /nfs/dbraw/zinc/79/65/95/1329796595.db2.gz MLNXHHUERZUVNE-OAHLLOKOSA-N 1 0 342.399 3.136 20 5 EGBDRO CCCC[NH+]1CCC(NC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000932429356 1329814268 /nfs/dbraw/zinc/81/42/68/1329814268.db2.gz LWQOSLDDIMWFFO-QZTJIDSGSA-N 1 0 345.443 3.079 20 5 EGBDRO CC(C)(C)OC(=O)NCC[C@@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000932699688 1329835287 /nfs/dbraw/zinc/83/52/87/1329835287.db2.gz LYVMDBKGAUIBNA-CQSZACIVSA-N 1 0 349.431 3.332 20 5 EGBDRO COc1cccc(C[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])c1OC ZINC000866237256 1330082875 /nfs/dbraw/zinc/08/28/75/1330082875.db2.gz HAGGVWRTTRSHOU-GFCCVEGCSA-N 1 0 348.374 3.472 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000935979013 1330101882 /nfs/dbraw/zinc/10/18/82/1330101882.db2.gz YFPDCHHRZZVWHZ-DOMZBBRYSA-N 1 0 349.456 3.016 20 5 EGBDRO C[C@H](C[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])CC1(C)OCCO1 ZINC000866424809 1330110079 /nfs/dbraw/zinc/11/00/79/1330110079.db2.gz HIIXXLOKLPDPFJ-GJZGRUSLSA-N 1 0 336.432 3.295 20 5 EGBDRO C[C@@H](C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-])CC1(C)OCCO1 ZINC000866427591 1330110732 /nfs/dbraw/zinc/11/07/32/1330110732.db2.gz MBESLZFQUYBLNJ-OLZOCXBDSA-N 1 0 340.395 3.044 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CC[C@@H](O)C3CCCC3)CC2)cc1 ZINC000866636498 1330136279 /nfs/dbraw/zinc/13/62/79/1330136279.db2.gz LTHDJYQAZDBPNA-LJQANCHMSA-N 1 0 347.459 3.094 20 5 EGBDRO O=C(N[C@H]1CC[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CC1)c1ccco1 ZINC001034580687 1342626375 /nfs/dbraw/zinc/62/63/75/1342626375.db2.gz JODBSGVJJWBYJU-JOCQHMNTSA-N 1 0 349.412 3.080 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1-c1noc(CC2CC[NH+](C)CC2)n1 ZINC001323850078 1387474863 /nfs/dbraw/zinc/47/48/63/1387474863.db2.gz IFHATIYWTVZWGA-UHFFFAOYSA-N 1 0 330.388 3.146 20 5 EGBDRO O=[N+]([O-])c1ccc2oc(=S)n(CN3CC[C@H]4OCCC[C@@H]4C3)c2c1 ZINC001324060198 1387523844 /nfs/dbraw/zinc/52/38/44/1387523844.db2.gz XFCHSZXKMUDMMR-BXUZGUMPSA-N 1 0 349.412 3.330 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+]([C@@H]3CCc4c3cccc4F)C2)nc1 ZINC001324296408 1387586158 /nfs/dbraw/zinc/58/61/58/1387586158.db2.gz CRSYNPUORGCEQD-SJKOYZFVSA-N 1 0 342.374 3.303 20 5 EGBDRO C[N@@H+](Cc1cc2ccccc2[nH]1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001324314818 1387589841 /nfs/dbraw/zinc/58/98/41/1387589841.db2.gz OMRNVAQKSDVRKG-GOSISDBHSA-N 1 0 325.368 3.242 20 5 EGBDRO O=C(CC1CC1)NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCCCC1 ZINC001115378107 1370418220 /nfs/dbraw/zinc/41/82/20/1370418220.db2.gz URTBOKLTCNYELS-UHFFFAOYSA-N 1 0 345.443 3.304 20 5 EGBDRO C/C=C(/C)C(=O)NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CCCCC1 ZINC001115473018 1370478860 /nfs/dbraw/zinc/47/88/60/1370478860.db2.gz KPZWUOGOZBYLDK-CQPUUCJISA-N 1 0 345.443 3.470 20 5 EGBDRO [NH3+][C@H]1C[C@@H](O)CN(Cc2ccc3ccc4cccc5ccc2c3c45)C1 ZINC001204957267 1370614932 /nfs/dbraw/zinc/61/49/32/1370614932.db2.gz QPJJZABVAHGXPQ-RBUKOAKNSA-N 1 0 330.431 3.478 20 5 EGBDRO CC/C(C)=C/C(=O)N1CCC(C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001205204012 1370678383 /nfs/dbraw/zinc/67/83/83/1370678383.db2.gz VYCOGPVQDIAOBV-NTCAYCPXSA-N 1 0 345.443 3.279 20 5 EGBDRO CSc1ccc([C@@H](CNc2c(C)cncc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC001117742586 1371072306 /nfs/dbraw/zinc/07/23/06/1371072306.db2.gz URTIYYFJLXNMEC-OAHLLOKOSA-N 1 0 346.456 3.157 20 5 EGBDRO COc1c(O)ccc(C[N@H+](C)[C@H]2CC[C@@H](SC)C2)c1[N+](=O)[O-] ZINC001120017905 1371457949 /nfs/dbraw/zinc/45/79/49/1371457949.db2.gz JDQQKZXUBDVQQO-NWDGAFQWSA-N 1 0 326.418 3.025 20 5 EGBDRO C[NH+]1CCN(Cc2ccccc2Nc2cccc([N+](=O)[O-])c2F)CC1 ZINC001210379782 1372338086 /nfs/dbraw/zinc/33/80/86/1372338086.db2.gz IZNFJPOXLVFQHQ-UHFFFAOYSA-N 1 0 344.390 3.225 20 5 EGBDRO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2-c1ccncn1 ZINC001211028053 1372473040 /nfs/dbraw/zinc/47/30/40/1372473040.db2.gz ISSBXCGZHBYYEO-UHFFFAOYSA-N 1 0 331.379 3.034 20 5 EGBDRO C[NH+]1CCC(Oc2ccc(Nc3ccc(F)c([N+](=O)[O-])c3)nc2)CC1 ZINC001211192625 1372497740 /nfs/dbraw/zinc/49/77/40/1372497740.db2.gz FOVZMTXNTLVRMY-UHFFFAOYSA-N 1 0 346.362 3.346 20 5 EGBDRO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2-c1cccnc1N ZINC001212405974 1372701169 /nfs/dbraw/zinc/70/11/69/1372701169.db2.gz PWNTUEHXXQAHMR-UHFFFAOYSA-N 1 0 345.406 3.221 20 5 EGBDRO CC(C)(C)OC(=O)c1ccc(O[C@@H]2CCCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001217975672 1373523524 /nfs/dbraw/zinc/52/35/24/1373523524.db2.gz OICNDZWUZULRKU-CYBMUJFWSA-N 1 0 336.388 3.071 20 5 EGBDRO O=c1oc2cc(O[C@@H]3CC[NH2+]CC[C@@H]3F)ccc2c2ccccc12 ZINC001218016093 1373538251 /nfs/dbraw/zinc/53/82/51/1373538251.db2.gz OTZSEAITXUGBNB-DLBZAZTESA-N 1 0 327.355 3.415 20 5 EGBDRO C[C@@H]1CC[NH2+]CC[C@H]1Oc1cc(Br)cc([N+](=O)[O-])c1 ZINC001218029049 1373542366 /nfs/dbraw/zinc/54/23/66/1373542366.db2.gz JJTGFEIPBWCSHH-NOZJJQNGSA-N 1 0 329.194 3.124 20 5 EGBDRO C[C@@H]1CC[NH2+]CC[C@H]1Oc1ccc2c(c1)oc1cc(O)ccc1c2=O ZINC001218030045 1373542768 /nfs/dbraw/zinc/54/27/68/1373542768.db2.gz OVXVIZNQMQUCKN-SJKOYZFVSA-N 1 0 339.391 3.419 20 5 EGBDRO CCC(C)(C)c1cc([N+](=O)[O-])c(O[C@H]2C[NH2+][C@H](C)C2)c([N+](=O)[O-])c1 ZINC001218040014 1373545680 /nfs/dbraw/zinc/54/56/80/1373545680.db2.gz MSYHRHQJZAGITM-ZYHUDNBSSA-N 1 0 337.376 3.320 20 5 EGBDRO Cc1cc(Br)cc([N+](=O)[O-])c1O[C@@H]1CC[NH2+][C@H](C)C1 ZINC001218054504 1373548612 /nfs/dbraw/zinc/54/86/12/1373548612.db2.gz BBELNXRQFZAFCF-MWLCHTKSSA-N 1 0 329.194 3.185 20 5 EGBDRO C[C@@H]1C[C@@H](Oc2ccc(C(=O)OC(C)(C)C)cc2[N+](=O)[O-])CC[NH2+]1 ZINC001218054475 1373548869 /nfs/dbraw/zinc/54/88/69/1373548869.db2.gz ZUBYZQLXUGJDDT-YPMHNXCESA-N 1 0 336.388 3.069 20 5 EGBDRO O=[N+]([O-])c1cc2nc(O[C@H]3CCC34CC[NH2+]CC4)[nH]c2cc1Cl ZINC001218079744 1373556460 /nfs/dbraw/zinc/55/64/60/1373556460.db2.gz IQELVPXSJKNMJY-ZDUSSCGKSA-N 1 0 336.779 3.036 20 5 EGBDRO O=[N+]([O-])c1ccc(Br)cc1O[C@H]1CCC[C@]12CC[NH2+]C2 ZINC001218092063 1373558320 /nfs/dbraw/zinc/55/83/20/1373558320.db2.gz QKDDPCAHZZFJPB-UONOGXRCSA-N 1 0 341.205 3.268 20 5 EGBDRO Cc1cc(Br)c(O[C@H]2CC[C@]23CC[NH2+]C3)cc1[N+](=O)[O-] ZINC001218120056 1373565081 /nfs/dbraw/zinc/56/50/81/1373565081.db2.gz SESZAUSKIIYJNE-UONOGXRCSA-N 1 0 341.205 3.187 20 5 EGBDRO O=[N+]([O-])c1cc(Br)ccc1O[C@@H]1CCC[C@@H]2C[NH2+]C[C@@H]21 ZINC001218143931 1373568413 /nfs/dbraw/zinc/56/84/13/1373568413.db2.gz BLVYVWFYNQAPLL-SUZMYJTESA-N 1 0 341.205 3.124 20 5 EGBDRO C[C@H]1CC[C@@H](Oc2c(F)cc([N+](=O)[O-])cc2Br)C[NH2+]1 ZINC001218399620 1373607111 /nfs/dbraw/zinc/60/71/11/1373607111.db2.gz BLHGXLPNAZULSA-IONNQARKSA-N 1 0 333.157 3.016 20 5 EGBDRO Cc1cc(Br)c(O[C@@H]2CC[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC001218427382 1373610968 /nfs/dbraw/zinc/61/09/68/1373610968.db2.gz ZYFFELDNVKODSE-JOYOIKCWSA-N 1 0 329.194 3.043 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)cc(Br)c1O[C@@H]1[C@@H]2CC[C@H]1[NH2+]C2 ZINC001218446479 1373613753 /nfs/dbraw/zinc/61/37/53/1373613753.db2.gz HGDLXLQTAAIFPW-KNBVPPQFSA-N 1 0 347.596 3.140 20 5 EGBDRO CC1(C)C[C@H](Oc2c(F)cc(Br)cc2[N+](=O)[O-])CC[NH2+]1 ZINC001218471729 1373620226 /nfs/dbraw/zinc/62/02/26/1373620226.db2.gz LLMXHOBPUJXPQL-SECBINFHSA-N 1 0 347.184 3.406 20 5 EGBDRO CC1(C)C[C@@H](Oc2cnc3ccc(=O)n4c5ccccc5c2c34)CC[NH2+]1 ZINC001218479221 1373621991 /nfs/dbraw/zinc/62/19/91/1373621991.db2.gz SRBJNSSRNULCND-ZDUSSCGKSA-N 1 0 347.418 3.348 20 5 EGBDRO CC(=O)c1cc(C)cc([N+](=O)[O-])c1O[C@H]1C[NH2+]Cc2ccccc21 ZINC001218487216 1373623808 /nfs/dbraw/zinc/62/38/08/1373623808.db2.gz NJOMPSIONPDARG-KRWDZBQOSA-N 1 0 326.352 3.329 20 5 EGBDRO Nc1ccc2n(C(=O)[C@@H]([NH3+])C3CCCCC3)c3ccccc3cc-2c1=O ZINC001219254277 1373695864 /nfs/dbraw/zinc/69/58/64/1373695864.db2.gz WPQDTPJOFAVLLS-IBGZPJMESA-N 1 0 349.434 3.236 20 5 EGBDRO CCCCC(=O)NCC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001222399204 1373837068 /nfs/dbraw/zinc/83/70/68/1373837068.db2.gz SUHGMQHOKZATAK-UHFFFAOYSA-N 1 0 333.432 3.113 20 5 EGBDRO CCOC(=O)c1ccc(CO[C@@H](C)C[NH+](CC)CC)c([N+](=O)[O-])c1 ZINC001223967311 1375050722 /nfs/dbraw/zinc/05/07/22/1375050722.db2.gz XZANTCDVFCHHPI-ZDUSSCGKSA-N 1 0 338.404 3.018 20 5 EGBDRO O=[N+]([O-])c1ccnc(Cl)c1O[C@@H]1CCN(Cc2ccccc2)C1 ZINC001225432203 1375109470 /nfs/dbraw/zinc/10/94/70/1375109470.db2.gz FADWAZVRQYOTDR-CYBMUJFWSA-N 1 0 333.775 3.297 20 5 EGBDRO O=[N+]([O-])c1ccc([O-])cc1OC1CC[NH+](Cc2ccccc2)CC1 ZINC001225488468 1375115696 /nfs/dbraw/zinc/11/56/96/1375115696.db2.gz FOWIQKBPLKWQLF-UHFFFAOYSA-N 1 0 328.368 3.344 20 5 EGBDRO O=[N+]([O-])c1cc(F)c(F)cc1OC1CCN(c2cc[nH+]cc2)CC1 ZINC001225778440 1375154270 /nfs/dbraw/zinc/15/42/70/1375154270.db2.gz IYYHLDHYROYORQ-UHFFFAOYSA-N 1 0 335.310 3.316 20 5 EGBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1ncc(C(F)(F)F)cc1[N+](=O)[O-])C2 ZINC001225843607 1375162475 /nfs/dbraw/zinc/16/24/75/1375162475.db2.gz JOTOUWABFPKWPW-JGPRNRPPSA-N 1 0 331.294 3.013 20 5 EGBDRO CC(C)[NH+]1CCC(Oc2ncc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC001225893455 1375170545 /nfs/dbraw/zinc/17/05/45/1375170545.db2.gz RRYZJPRPQWARQI-UHFFFAOYSA-N 1 0 333.310 3.260 20 5 EGBDRO CC(C)CCC(=O)NC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001225994995 1375186757 /nfs/dbraw/zinc/18/67/57/1375186757.db2.gz YWKVPESWHWBDLH-UHFFFAOYSA-N 1 0 333.432 3.112 20 5 EGBDRO Cc1ccnc(O[C@H]2CCC[N@@H+]([C@H](C)c3ccccn3)C2)c1[N+](=O)[O-] ZINC001226118225 1375206399 /nfs/dbraw/zinc/20/63/99/1375206399.db2.gz JAFFZARHVTVAEA-CABCVRRESA-N 1 0 342.399 3.298 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1-c1noc([C@H]2CC23CC[NH2+]CC3)n1 ZINC001327005645 1388363981 /nfs/dbraw/zinc/36/39/81/1388363981.db2.gz TXHYODRCMAEIMO-CYBMUJFWSA-N 1 0 328.372 3.119 20 5 EGBDRO O=[N+]([O-])c1ccc(O[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cn1 ZINC001226712637 1375314708 /nfs/dbraw/zinc/31/47/08/1375314708.db2.gz PMAOYXPMIZQSQF-CGTJXYLNSA-N 1 0 339.395 3.279 20 5 EGBDRO O=[N+]([O-])c1cc(F)cnc1OC1CC[NH+](Cc2ccccc2)CC1 ZINC001226757743 1375326866 /nfs/dbraw/zinc/32/68/66/1375326866.db2.gz XADVXBRRBHRYDX-UHFFFAOYSA-N 1 0 331.347 3.172 20 5 EGBDRO Cc1ccc(O[C@H](C)C[N+](C)(C)C)c(-n2nc3ccccc3n2)c1 ZINC001228109447 1375517826 /nfs/dbraw/zinc/51/78/26/1375517826.db2.gz PZMIBNKRCQCQGT-OAHLLOKOSA-N 1 0 325.436 3.202 20 5 EGBDRO Cc1[nH]c(=O)cc(O[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC001228684880 1375639229 /nfs/dbraw/zinc/63/92/29/1375639229.db2.gz ACCDGJSCCQVQIS-HNNXBMFYSA-N 1 0 343.383 3.047 20 5 EGBDRO CCC(C)(C)C(=O)NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001228934643 1375720607 /nfs/dbraw/zinc/72/06/07/1375720607.db2.gz BUTVKSMLUUDBOI-UHFFFAOYSA-N 1 0 333.432 3.112 20 5 EGBDRO CCOC(=O)c1ccc(OC2CC[NH+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC001230912998 1376182809 /nfs/dbraw/zinc/18/28/09/1376182809.db2.gz ONWOAUHHZAZUFK-UHFFFAOYSA-N 1 0 336.388 3.023 20 5 EGBDRO CC[N@@H+]1CC[C@H](Oc2c(C)cc(Br)cc2[N+](=O)[O-])C1 ZINC001230938152 1376184080 /nfs/dbraw/zinc/18/40/80/1376184080.db2.gz NDYJGIZABYHSJC-NSHDSACASA-N 1 0 329.194 3.139 20 5 EGBDRO C[N@@H+](Cc1c2ccccc2c2cc3ccccc3oc1-2)C[C@H](O)CO ZINC001231819239 1376319450 /nfs/dbraw/zinc/31/94/50/1376319450.db2.gz QLVIPGKPMZGKFS-HNNXBMFYSA-N 1 0 335.403 3.476 20 5 EGBDRO CC(C)[N@H+](C)[C@@H]1CCN(C(=O)c2cccc3nc4ccccc4nc32)C1 ZINC001153866010 1380146441 /nfs/dbraw/zinc/14/64/41/1380146441.db2.gz JUIVWZNELKWULU-OAHLLOKOSA-N 1 0 348.450 3.338 20 5 EGBDRO c1cnc2c(c1)ccc1ccc(NC[C@H]3CO[C@]4(C3)CCC[NH2+]C4)nc12 ZINC001155592902 1380471129 /nfs/dbraw/zinc/47/11/29/1380471129.db2.gz URMHUGPBAFKRPC-BTYIYWSLSA-N 1 0 348.450 3.354 20 5 EGBDRO CC(C)Oc1nc(NCC2CC[NH+](C(C)C)CC2)ccc1[N+](=O)[O-] ZINC001156502789 1380585365 /nfs/dbraw/zinc/58/53/65/1380585365.db2.gz WDZQNXNJDKPQSU-UHFFFAOYSA-N 1 0 336.436 3.309 20 5 EGBDRO CN(c1ccc([N+](=O)[O-])c(-c2ccccc2)n1)[C@@]1(C)CCC[NH2+]C1 ZINC001156976333 1380741338 /nfs/dbraw/zinc/74/13/38/1380741338.db2.gz DKPONQFBVHGOGC-SFHVURJKSA-N 1 0 326.400 3.235 20 5 EGBDRO O=[N+]([O-])c1cnc(N2CCCC[C@@]23CCC[NH2+]C3)c2ccccc21 ZINC001157472281 1380923037 /nfs/dbraw/zinc/92/30/37/1380923037.db2.gz VQTZLSGJPRGLPL-SFHVURJKSA-N 1 0 326.400 3.256 20 5 EGBDRO CN(CC[N@H+](C)Cc1ccccc1)c1ccc2[nH]cc([N+](=O)[O-])c2n1 ZINC001157557169 1380965148 /nfs/dbraw/zinc/96/51/48/1380965148.db2.gz XEKNSETYIHWJDX-UHFFFAOYSA-N 1 0 339.399 3.039 20 5 EGBDRO CC(C)(C)CN(c1ncc(Cl)cc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC001157883554 1381059377 /nfs/dbraw/zinc/05/93/77/1381059377.db2.gz RNFHHXZFFYULMV-UHFFFAOYSA-N 1 0 326.828 3.248 20 5 EGBDRO CC(C)(C)CN(c1cc(Cl)cc([N+](=O)[O-])n1)C1CC[NH2+]CC1 ZINC001157883903 1381059436 /nfs/dbraw/zinc/05/94/36/1381059436.db2.gz GFMDSBWWHKDDFH-UHFFFAOYSA-N 1 0 326.828 3.248 20 5 EGBDRO C[N@@H+]1CCN(c2nccc3cc([N+](=O)[O-])ccc32)C2(CCCC2)C1 ZINC001158409729 1381234220 /nfs/dbraw/zinc/23/42/20/1381234220.db2.gz AULYODOBDKQGLO-UHFFFAOYSA-N 1 0 326.400 3.208 20 5 EGBDRO C[NH+](C)CCC(C)(C)Nc1nc(Cl)nc2ccc([N+](=O)[O-])cc21 ZINC001158757147 1381384748 /nfs/dbraw/zinc/38/47/48/1381384748.db2.gz KGTSFZOZSQPXEM-UHFFFAOYSA-N 1 0 337.811 3.334 20 5 EGBDRO O=[N+]([O-])c1cc(NCC23CC[NH+](CC2)CC3)c2ncnc(Cl)c2c1 ZINC001158833856 1381423670 /nfs/dbraw/zinc/42/36/70/1381423670.db2.gz YGHKQBBKIPDUOO-UHFFFAOYSA-N 1 0 347.806 3.089 20 5 EGBDRO O=C(NCCC1=CC[N@H+](Cc2ccccc2[N+](=O)[O-])CC1)C1CCC1 ZINC001159088541 1381574933 /nfs/dbraw/zinc/57/49/33/1381574933.db2.gz CUAOHNIESXXEQJ-UHFFFAOYSA-N 1 0 343.427 3.033 20 5 EGBDRO O=[N+]([O-])c1ccc(F)c(Nc2ccc(N3CC[NH2+]CC3)c(F)c2)c1 ZINC001159535478 1381819565 /nfs/dbraw/zinc/81/95/65/1381819565.db2.gz IHGKWVBAOGLTKB-UHFFFAOYSA-N 1 0 334.326 3.026 20 5 EGBDRO COc1ccc(Nc2ccc(O[C@H]3CCC[NH2+]C3)cc2)cc1[N+](=O)[O-] ZINC001159948511 1381946295 /nfs/dbraw/zinc/94/62/95/1381946295.db2.gz HFDWUPIXJBIDBG-INIZCTEOSA-N 1 0 343.383 3.478 20 5 EGBDRO [NH3+][C@@H]1CCCN(c2ccccc2Nc2ccc(F)c([N+](=O)[O-])c2)C1 ZINC001159982120 1381958568 /nfs/dbraw/zinc/95/85/68/1381958568.db2.gz JAGJXIIABCJRMM-GFCCVEGCSA-N 1 0 330.363 3.405 20 5 EGBDRO O=[N+]([O-])c1ccc(F)c(Nc2cc(F)ccc2N2CC[NH2+]CC2)c1 ZINC001160046298 1381979409 /nfs/dbraw/zinc/97/94/09/1381979409.db2.gz RZNXYSPRULGVPF-UHFFFAOYSA-N 1 0 334.326 3.026 20 5 EGBDRO O=[N+]([O-])c1cc(-c2ccc(NC[C@@H]3CCCC[NH2+]3)nn2)ccc1Cl ZINC001160151689 1382017540 /nfs/dbraw/zinc/01/75/40/1382017540.db2.gz WZIJPVIARCTTFC-LBPRGKRZSA-N 1 0 347.806 3.259 20 5 EGBDRO C[C@@H](C[NH3+])CN(Cc1ccccc1)c1ccc2[nH]cc([N+](=O)[O-])c2n1 ZINC001160666481 1382165385 /nfs/dbraw/zinc/16/53/85/1382165385.db2.gz YJDVYCYPOLQZJI-ZDUSSCGKSA-N 1 0 339.399 3.073 20 5 EGBDRO O=[N+]([O-])c1cnc(N[C@H]2CC[NH2+]C[C@@H]2C(F)(F)F)c2ccccc21 ZINC001160737794 1382182121 /nfs/dbraw/zinc/18/21/21/1382182121.db2.gz QQDWLXSTWKUVLH-RYUDHWBXSA-N 1 0 340.305 3.095 20 5 EGBDRO CN(Cc1c2ccccc2cc2ccccc21)C(=O)C[C@H]1C[NH2+]CCO1 ZINC001160740209 1382183731 /nfs/dbraw/zinc/18/37/31/1382183731.db2.gz YXLQBLJNOAPSDI-SFHVURJKSA-N 1 0 348.446 3.330 20 5 EGBDRO COC1([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2Br)CCC1 ZINC001328614851 1388789289 /nfs/dbraw/zinc/78/92/89/1388789289.db2.gz AIQIYBFUZUQSOE-SNVBAGLBSA-N 1 0 343.221 3.405 20 5 EGBDRO [NH3+]CCN(c1ccc(F)cc1)c1ccc2cccc([N+](=O)[O-])c2n1 ZINC001161877437 1382537119 /nfs/dbraw/zinc/53/71/19/1382537119.db2.gz JPWFSFNCDGQJTG-UHFFFAOYSA-N 1 0 326.331 3.379 20 5 EGBDRO C[C@@H]1C[NH2+]CCC[C@H]1CNc1ccc2cc(F)cc([N+](=O)[O-])c2n1 ZINC001162455892 1382762026 /nfs/dbraw/zinc/76/20/26/1382762026.db2.gz FYMHJFANGHGMFR-YPMHNXCESA-N 1 0 332.379 3.330 20 5 EGBDRO [NH3+]Cc1cccc(-c2cncn2-c2ncc([N+](=O)[O-])c3ccccc32)c1 ZINC001162564045 1382791789 /nfs/dbraw/zinc/79/17/89/1382791789.db2.gz UEENXDVVLMZWQW-UHFFFAOYSA-N 1 0 345.362 3.454 20 5 EGBDRO COc1c([N+](=O)[O-])cc(Cl)c(C)c1NC[C@@]1(F)CCCC[NH2+]C1 ZINC001162587225 1382800504 /nfs/dbraw/zinc/80/05/04/1382800504.db2.gz ONJJZFABFQZZRC-OAHLLOKOSA-N 1 0 345.802 3.459 20 5 EGBDRO COc1cc(-n2c3ccccc3nc2[C@H](C)[NH3+])cc([N+](=O)[O-])c1C ZINC001162777536 1382869237 /nfs/dbraw/zinc/86/92/37/1382869237.db2.gz TXRPYUUUPCWEIM-NSHDSACASA-N 1 0 326.356 3.270 20 5 EGBDRO COc1cc([N+](=O)[O-])c(NCc2ccc3c(c2)CC[NH2+]C3)cc1F ZINC001162810755 1382880873 /nfs/dbraw/zinc/88/08/73/1382880873.db2.gz ZSHWJCMMJVJBJV-UHFFFAOYSA-N 1 0 331.347 3.000 20 5 EGBDRO Cc1ccc2c(c1)[C@H](Nc1ncccc1[N+](=O)[O-])CC21CC[NH2+]CC1 ZINC001163031933 1382952104 /nfs/dbraw/zinc/95/21/04/1382952104.db2.gz SGKGTGHXEKSTQT-MRXNPFEDSA-N 1 0 338.411 3.476 20 5 EGBDRO Cc1cc([N+](=O)[O-])cnc1-n1c2ccccc2nc1C1CC[NH2+]CC1 ZINC001163758844 1383118708 /nfs/dbraw/zinc/11/87/08/1383118708.db2.gz QOSPXXDSNBTQRA-UHFFFAOYSA-N 1 0 337.383 3.104 20 5 EGBDRO CC[N@@H+]1CCCN(c2nc3ccccc3c(Cl)c2[N+](=O)[O-])CC1 ZINC001163774658 1383121030 /nfs/dbraw/zinc/12/10/30/1383121030.db2.gz NNVAKMIEVCBHOM-UHFFFAOYSA-N 1 0 334.807 3.328 20 5 EGBDRO O=C(CCC1CC1)NCCC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001163899633 1383134181 /nfs/dbraw/zinc/13/41/81/1383134181.db2.gz GXXWQWCVWUYQEV-UHFFFAOYSA-N 1 0 345.443 3.161 20 5 EGBDRO [NH3+][C@H]1CCN(c2ccc3ccc4ccc(Br)nc4c3n2)C1 ZINC001164286345 1383174629 /nfs/dbraw/zinc/17/46/29/1383174629.db2.gz MGRBQAJUQMTLQK-LBPRGKRZSA-N 1 0 343.228 3.083 20 5 EGBDRO Cc1cnc(N2C[C@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001165085208 1383225191 /nfs/dbraw/zinc/22/51/91/1383225191.db2.gz MAZQHYWBXCENNT-SJLPKXTDSA-N 1 0 338.411 3.009 20 5 EGBDRO [NH3+]C1CC2(C1)CCN(c1nc(Cl)c(Cl)cc1[N+](=O)[O-])CC2 ZINC001165242990 1383256514 /nfs/dbraw/zinc/25/65/14/1383256514.db2.gz CYPWYAJFAOKJHN-UHFFFAOYSA-N 1 0 331.203 3.004 20 5 EGBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2CCCC[C@H]2C2CC[NH2+]CC2)n1 ZINC001165319007 1383272198 /nfs/dbraw/zinc/27/21/98/1383272198.db2.gz GEGSRELWECZHQQ-AWEZNQCLSA-N 1 0 338.839 3.310 20 5 EGBDRO COc1c(F)cc(NCC2C[NH+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC001165455466 1383298294 /nfs/dbraw/zinc/29/82/94/1383298294.db2.gz WYHJIXXBJXJOBR-UHFFFAOYSA-N 1 0 345.374 3.286 20 5 EGBDRO O=[N+]([O-])c1c2[nH]cnc2ccc1NCC1C[NH+](Cc2ccccc2)C1 ZINC001165468923 1383299660 /nfs/dbraw/zinc/29/96/60/1383299660.db2.gz KWSZGMMZLSFVMM-UHFFFAOYSA-N 1 0 337.383 3.015 20 5 EGBDRO CCCCC1(C(=O)NCCC[NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC001165895196 1383359309 /nfs/dbraw/zinc/35/93/09/1383359309.db2.gz IBSNGEJEMWWYGR-UHFFFAOYSA-N 1 0 339.461 3.223 20 5 EGBDRO CC(C)(C)C(=O)Oc1ccc(CC[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001168955507 1384070258 /nfs/dbraw/zinc/07/02/58/1384070258.db2.gz BBLZSWSSGNJEQJ-HOTGVXAUSA-N 1 0 348.443 3.216 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2ncc(C(F)(F)F)cc2Cl)C1 ZINC001168968377 1384073570 /nfs/dbraw/zinc/07/35/70/1384073570.db2.gz YILJRGVPBSEADO-PSASIEDQSA-N 1 0 337.729 3.289 20 5 EGBDRO C[C@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C(=O)Nc1ccc2ccccc2c1 ZINC001168978168 1384076840 /nfs/dbraw/zinc/07/68/40/1384076840.db2.gz PFKYPIFCATWAJJ-JJRVBVJISA-N 1 0 341.411 3.202 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2ccc(F)cc2Br)C1 ZINC001168984681 1384079215 /nfs/dbraw/zinc/07/92/15/1384079215.db2.gz PVHBSRSTJDKLRS-SKDRFNHKSA-N 1 0 331.185 3.123 20 5 EGBDRO Cc1cc(F)ccc1CN1CCC([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168990715 1384080041 /nfs/dbraw/zinc/08/00/41/1384080041.db2.gz DRCWPYLLIRDZTI-DNVCBOLYSA-N 1 0 349.450 3.134 20 5 EGBDRO O=C1CCCCCN1c1ccc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001168990841 1384080995 /nfs/dbraw/zinc/08/09/95/1384080995.db2.gz DUZIDSWKAKVSMO-SJORKVTESA-N 1 0 345.443 3.129 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2c(F)cc(Br)cc2F)C1 ZINC001168991329 1384081183 /nfs/dbraw/zinc/08/11/83/1384081183.db2.gz GIEBVPQQQCJOTC-WCBMZHEXSA-N 1 0 349.175 3.262 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2cn(Cc3cccc(Cl)c3)cn2)C1 ZINC001168997739 1384083319 /nfs/dbraw/zinc/08/33/19/1384083319.db2.gz FHYYHWPPSGGCKW-GDBMZVCRSA-N 1 0 348.834 3.120 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CCc2ccc(Oc3ccccc3)nc2)C1 ZINC001169006470 1384086277 /nfs/dbraw/zinc/08/62/77/1384086277.db2.gz XWGYNJOHZZWWLI-IAGOWNOFSA-N 1 0 341.411 3.451 20 5 EGBDRO COc1ccc([C@@H]2CCC[N@@H+]2[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1OC ZINC001169030307 1384094227 /nfs/dbraw/zinc/09/42/27/1384094227.db2.gz YKPWXZZGAJIVHU-BMFZPTHFSA-N 1 0 334.416 3.286 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCC(Oc3cccc(Cl)n3)CC2)C1 ZINC001169035823 1384095082 /nfs/dbraw/zinc/09/50/82/1384095082.db2.gz CPNQPTCZSOCBOG-CHWSQXEVSA-N 1 0 339.823 3.024 20 5 EGBDRO CCOC(=O)C[N@H+]([C@H](C)c1ccccc1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169050013 1384100782 /nfs/dbraw/zinc/10/07/82/1384100782.db2.gz XXPNGUQVSZKZSY-BFYDXBDKSA-N 1 0 334.416 3.058 20 5 EGBDRO COC(=O)c1ccc([C@@H]2CCC[N@@H+]2[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001169057840 1384101907 /nfs/dbraw/zinc/10/19/07/1384101907.db2.gz XYQPAMUROFLCTP-XYPHTWIQSA-N 1 0 332.400 3.056 20 5 EGBDRO CCOc1cnc(N[C@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)c([N+](=O)[O-])c1 ZINC001169139212 1384112476 /nfs/dbraw/zinc/11/24/76/1384112476.db2.gz AQVZJIHBERDTEB-YVEFUNNKSA-N 1 0 336.436 3.344 20 5 EGBDRO COc1cc([N+](=O)[O-])cnc1N1CCC[C@@H]([NH3+])c2cc(C)ccc21 ZINC001169684257 1384173492 /nfs/dbraw/zinc/17/34/92/1384173492.db2.gz SABBLJIXXAVSAW-CQSZACIVSA-N 1 0 328.372 3.239 20 5 EGBDRO Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1cccc2ncc([N+](=O)[O-])n21 ZINC001169689282 1384173872 /nfs/dbraw/zinc/17/38/72/1384173872.db2.gz HCBBYYZGOVPMGZ-CQSZACIVSA-N 1 0 337.383 3.483 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2ccc3ncoc3c2)c([N+](=O)[O-])c1 ZINC001170313003 1384288465 /nfs/dbraw/zinc/28/84/65/1384288465.db2.gz ICNKHAHNDVVDEX-GFCCVEGCSA-N 1 0 341.367 3.465 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2cccc(OC)c2F)c([N+](=O)[O-])c1 ZINC001170317284 1384289331 /nfs/dbraw/zinc/28/93/31/1384289331.db2.gz DVUHULBXUGKUQM-GFCCVEGCSA-N 1 0 348.374 3.472 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+]Cc2noc3ccccc23)c([N+](=O)[O-])c1 ZINC001170317216 1384289371 /nfs/dbraw/zinc/28/93/71/1384289371.db2.gz CEULSGFDNOWBHY-LBPRGKRZSA-N 1 0 341.367 3.465 20 5 EGBDRO CCN(CC[NH+](CC)CC)[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170345220 1384296077 /nfs/dbraw/zinc/29/60/77/1384296077.db2.gz IDXMBHNDRITKTD-OAHLLOKOSA-N 1 0 337.464 3.198 20 5 EGBDRO COc1ccc(C[C@@H](C)N2CCC[C@@H]2C[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC001170348319 1384297254 /nfs/dbraw/zinc/29/72/54/1384297254.db2.gz WUJVJHNHRWVDFF-NVXWUHKLSA-N 1 0 347.459 3.095 20 5 EGBDRO COc1ccc(C[C@H](C)n2ccnc2[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001170353094 1384299055 /nfs/dbraw/zinc/29/90/55/1384299055.db2.gz VQRRDNRIVBPPLI-ZFWWWQNUSA-N 1 0 344.415 3.071 20 5 EGBDRO C[C@H](Nc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1)[C@@H]1C[NH2+]CCO1 ZINC001170569060 1384343973 /nfs/dbraw/zinc/34/39/73/1384343973.db2.gz HWALHFRLLYSQJH-UGSOOPFHSA-N 1 0 327.384 3.051 20 5 EGBDRO Cc1cc(N[C@@H]2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])cc1Br ZINC001170623399 1384351980 /nfs/dbraw/zinc/35/19/80/1384351980.db2.gz WQFDNGYNDVPQEW-VHSXEESVSA-N 1 0 328.210 3.348 20 5 EGBDRO Cc1cc(N(CC[NH3+])C23CC4CC(CC(C4)C2)C3)ncc1[N+](=O)[O-] ZINC001170625426 1384352941 /nfs/dbraw/zinc/35/29/41/1384352941.db2.gz WLMGCLYSXQRMIR-UHFFFAOYSA-N 1 0 330.432 3.032 20 5 EGBDRO Cc1ccc2c(C[C@H](C)[NH3+])cn(-c3cnc(F)c([N+](=O)[O-])c3)c2c1 ZINC001171167514 1384458788 /nfs/dbraw/zinc/45/87/88/1384458788.db2.gz GSAPZIIWKDYMOW-NSHDSACASA-N 1 0 328.347 3.271 20 5 EGBDRO Cc1cc(Cl)c(N2c3ccccc3OC[C@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC001171395308 1384512113 /nfs/dbraw/zinc/51/21/13/1384512113.db2.gz FOVBXNYTOQJWSB-LLVKDONJSA-N 1 0 333.775 3.414 20 5 EGBDRO CCC[NH+]1CCC([NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172898115 1384873572 /nfs/dbraw/zinc/87/35/72/1384873572.db2.gz GPKNFZYYKNBLKE-QGZVFWFLSA-N 1 0 331.460 3.306 20 5 EGBDRO CCOC(=O)CC(C)(C)[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172896327 1384873921 /nfs/dbraw/zinc/87/39/21/1384873921.db2.gz OAZAAOKZOLZVPK-OAHLLOKOSA-N 1 0 334.416 3.164 20 5 EGBDRO COc1ccnc(C[NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)c1 ZINC001172899030 1384874141 /nfs/dbraw/zinc/87/41/41/1384874141.db2.gz KXEFUMFLNNEPLF-OAHLLOKOSA-N 1 0 327.384 3.036 20 5 EGBDRO COC(=O)CCCCC[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172902045 1384874302 /nfs/dbraw/zinc/87/43/02/1384874302.db2.gz UFMKVVXFCVQRGR-INIZCTEOSA-N 1 0 334.416 3.165 20 5 EGBDRO Cc1cccc([C@@H](CO)[NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)c1 ZINC001172899964 1384874345 /nfs/dbraw/zinc/87/43/45/1384874345.db2.gz AQXKBGMAOJDYCO-UYAOXDASSA-N 1 0 340.423 3.474 20 5 EGBDRO CCCc1cc(C[NH3+])nn1[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172903884 1384874676 /nfs/dbraw/zinc/87/46/76/1384874676.db2.gz TUQKLPBYCQWPRC-INIZCTEOSA-N 1 0 328.416 3.323 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@H](CO)c1ccccc1F)CC2 ZINC001172905652 1384875530 /nfs/dbraw/zinc/87/55/30/1384875530.db2.gz TZUZDWNEMTXELB-DNVCBOLYSA-N 1 0 344.386 3.305 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H](N1CCC[N@@H+]3CCC[C@H]3C1)CC2 ZINC001172914488 1384876722 /nfs/dbraw/zinc/87/67/22/1384876722.db2.gz GYPCATPWTHFZEX-HKUYNNGSSA-N 1 0 329.444 3.012 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@@H](CO)c1cccs1)CC2 ZINC001172913254 1384877061 /nfs/dbraw/zinc/87/70/61/1384877061.db2.gz VDCYTYCVJXMDSS-HOCLYGCPSA-N 1 0 332.425 3.227 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1CC[C@H](N3CCCCC3)C1)CC2 ZINC001172915072 1384877499 /nfs/dbraw/zinc/87/74/99/1384877499.db2.gz KZFTYBRXGHBZNB-ICSRJNTNSA-N 1 0 343.471 3.402 20 5 EGBDRO COC(=O)C[C@@H]1CCC[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172919630 1384879383 /nfs/dbraw/zinc/87/93/83/1384879383.db2.gz GWZAGGANNHDHIW-YOEHRIQHSA-N 1 0 346.427 3.117 20 5 EGBDRO C[Si](C)(C)C[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173008276 1384897669 /nfs/dbraw/zinc/89/76/69/1384897669.db2.gz RLHDRRTWVVNUHS-UHFFFAOYSA-N 1 0 343.450 3.309 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CCC[C@@H](F)CC2)c1F ZINC001173178288 1384931566 /nfs/dbraw/zinc/93/15/66/1384931566.db2.gz AEDMUMSEFHKARF-NWDGAFQWSA-N 1 0 328.359 3.498 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CC[C@@](C)(CF)C2)c1F ZINC001173182779 1384932676 /nfs/dbraw/zinc/93/26/76/1384932676.db2.gz TZDPNKCUZIWYPB-ZBEGNZNMSA-N 1 0 328.359 3.355 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+](C)C2CC(F)(F)C2)c1F ZINC001173187105 1384933049 /nfs/dbraw/zinc/93/30/49/1384933049.db2.gz WVWITSVLDFPHEP-SECBINFHSA-N 1 0 332.322 3.403 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CCC[C@H](OC)CC2)c1F ZINC001173197359 1384933927 /nfs/dbraw/zinc/93/39/27/1384933927.db2.gz UKCWBFUIOAIKHQ-STQMWFEESA-N 1 0 340.395 3.174 20 5 EGBDRO COc1cccc([C@@H](CCO)[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001173215726 1384937697 /nfs/dbraw/zinc/93/76/97/1384937697.db2.gz ZAQHSEZCDCSFHG-AUUYWEPGSA-N 1 0 344.411 3.248 20 5 EGBDRO Cc1cccc(C2([NH2+][C@H](C)Cc3ccc([N+](=O)[O-])cc3)COC2)c1 ZINC001173219050 1384938019 /nfs/dbraw/zinc/93/80/19/1384938019.db2.gz VZTZBVIMBINMQY-OAHLLOKOSA-N 1 0 326.396 3.350 20 5 EGBDRO CCOC(=O)[C@@H]1CCC[C@H]([NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173224113 1384939112 /nfs/dbraw/zinc/93/91/12/1384939112.db2.gz MCTNJXVYWKMXKX-BMFZPTHFSA-N 1 0 334.416 3.237 20 5 EGBDRO Cc1ccc(C(=O)NCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1C ZINC001175133824 1385199561 /nfs/dbraw/zinc/19/95/61/1385199561.db2.gz BFIGOVNJCWWMAK-UHFFFAOYSA-N 1 0 341.411 3.121 20 5 EGBDRO C[NH+]1CCN(c2ccccc2Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC001175736731 1385389639 /nfs/dbraw/zinc/38/96/39/1385389639.db2.gz KAUGIZWEKDRBRB-UHFFFAOYSA-N 1 0 330.363 3.229 20 5 EGBDRO COc1ccc(Nc2ccc(F)cc2OCC[NH+](C)C)cc1[N+](=O)[O-] ZINC001176362052 1385564168 /nfs/dbraw/zinc/56/41/68/1385564168.db2.gz QWHKTSWOGQTJCK-UHFFFAOYSA-N 1 0 349.362 3.427 20 5 EGBDRO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001318406293 1385675831 /nfs/dbraw/zinc/67/58/31/1385675831.db2.gz GBYZHURRHHCAMG-OLZOCXBDSA-N 1 0 340.811 3.243 20 5 EGBDRO CC(=O)N(CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)CC1CCCC1 ZINC001177174153 1385844016 /nfs/dbraw/zinc/84/40/16/1385844016.db2.gz CWBNSKVRJAFSDW-UHFFFAOYSA-N 1 0 333.432 3.113 20 5 EGBDRO CC(C)=CC(=O)NCCCCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001177824048 1386057263 /nfs/dbraw/zinc/05/72/63/1386057263.db2.gz CBOZAIFHRWJFMW-UHFFFAOYSA-N 1 0 333.432 3.327 20 5 EGBDRO C/C=C(/C)C(=O)NCCCCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001178143946 1386140799 /nfs/dbraw/zinc/14/07/99/1386140799.db2.gz ALSFQIRNYYSQEB-CQPUUCJISA-N 1 0 333.432 3.327 20 5 EGBDRO CS[C@H]1CC[C@@H]([N@H+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC001319714893 1386265734 /nfs/dbraw/zinc/26/57/34/1386265734.db2.gz FRAXLOLKSRACOO-OLZOCXBDSA-N 1 0 338.429 3.082 20 5 EGBDRO O=C(CC[NH2+][C@H]1C[C@H]1Cc1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC001336800306 1389171836 /nfs/dbraw/zinc/17/18/36/1389171836.db2.gz FLLQNQIIDLVFSJ-WBVHZDCISA-N 1 0 339.395 3.144 20 5 EGBDRO Cc1c(C(=O)OCc2ccc([N+](=O)[O-])c(F)c2)ccc2c[nH+]cn21 ZINC001339323044 1389992552 /nfs/dbraw/zinc/99/25/52/1389992552.db2.gz UEUPGANKAAYSCQ-UHFFFAOYSA-N 1 0 329.287 3.047 20 5 EGBDRO CC(C)(C)[C@H]1CCC[C@H]1NC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC001340889499 1390397514 /nfs/dbraw/zinc/39/75/14/1390397514.db2.gz SVXSIGXTKVJUAN-HDMKZQKVSA-N 1 0 333.432 3.100 20 5 EGBDRO COC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC001335551548 1390701971 /nfs/dbraw/zinc/70/19/71/1390701971.db2.gz GHSCSVJAVRBYTR-KGLIPLIRSA-N 1 0 344.367 3.286 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1-c1noc(C23CCC[NH+]2CCC3)n1 ZINC001345203186 1390847113 /nfs/dbraw/zinc/84/71/13/1390847113.db2.gz BKFZXRDPVPKARC-UHFFFAOYSA-N 1 0 328.372 3.347 20 5 EGBDRO [NH3+]C[C@]12CC[C@@H]1CCCN2C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC001345350566 1390856328 /nfs/dbraw/zinc/85/63/28/1390856328.db2.gz ZBPFSNKDZCVVAN-YVEFUNNKSA-N 1 0 345.424 3.153 20 5 EGBDRO Cc1cc(NC(=O)NC2CC[NH+](C3CCCC3)CC2)cc([N+](=O)[O-])c1 ZINC001345953548 1390896913 /nfs/dbraw/zinc/89/69/13/1390896913.db2.gz LSXZJLUXEALVLX-UHFFFAOYSA-N 1 0 346.431 3.432 20 5 EGBDRO CC(C)[NH+]1CCC(Nc2ncnc3c(Cl)cc([N+](=O)[O-])cc23)CC1 ZINC001347181723 1391020171 /nfs/dbraw/zinc/02/01/71/1391020171.db2.gz MFGCRDOCDYEJBD-UHFFFAOYSA-N 1 0 349.822 3.476 20 5 EGBDRO C[C@H]1CCc2nc(CN(CC[NH3+])c3ccc([N+](=O)[O-])cc3)sc2C1 ZINC001347212882 1391029918 /nfs/dbraw/zinc/02/99/18/1391029918.db2.gz TYTUJGXIFVDLBM-LBPRGKRZSA-N 1 0 346.456 3.141 20 5 EGBDRO O=[N+]([O-])c1cn(C[N@@H+]2CC[C@@H]3CCCC[C@H]3C2)nc1-c1ccccn1 ZINC001350479491 1391469444 /nfs/dbraw/zinc/46/94/44/1391469444.db2.gz HWJINKJHBSILQS-GJZGRUSLSA-N 1 0 341.415 3.323 20 5 EGBDRO O=C(NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1)C(F)=C1CCCC1 ZINC001754510395 1440617441 /nfs/dbraw/zinc/61/74/41/1440617441.db2.gz HMJLWNVNVRYKMN-UHFFFAOYSA-N 1 0 347.390 3.131 20 5 EGBDRO CCC(=CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)CC ZINC001755469417 1440858619 /nfs/dbraw/zinc/85/86/19/1440858619.db2.gz OTXZTNQRMZUQIA-QAQDUYKDSA-N 1 0 345.443 3.326 20 5 EGBDRO C[C@@H](Nc1ccc(Br)cc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000050163928 214048102 /nfs/dbraw/zinc/04/81/02/214048102.db2.gz JOTMVZPVODOONC-ZJUUUORDSA-N 1 0 328.210 3.157 20 5 EGBDRO COc1ccc(NC(=O)CC[NH+]2CCC(C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000368327902 168343036 /nfs/dbraw/zinc/34/30/36/168343036.db2.gz HFSZLZIHWPQOFN-UHFFFAOYSA-N 1 0 347.415 3.054 20 5 EGBDRO C[NH+](C)C[C@@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000007816509 282117646 /nfs/dbraw/zinc/11/76/46/282117646.db2.gz DLBWNTGFRYYFDS-OAHLLOKOSA-N 1 0 347.802 3.281 20 5 EGBDRO CC[C@H]([NH2+][C@H]1CCN(c2ccccn2)C1)c1cccc([N+](=O)[O-])c1 ZINC000181703707 529671967 /nfs/dbraw/zinc/67/19/67/529671967.db2.gz UBEQYVLYEXONLP-RDJZCZTQSA-N 1 0 326.400 3.309 20 5 EGBDRO Cc1ccc(C(=O)NCC[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1F ZINC000178642088 232328350 /nfs/dbraw/zinc/32/83/50/232328350.db2.gz IMMZDXBFPCSVDH-CYBMUJFWSA-N 1 0 345.374 3.123 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)NCc2cccs2)cc1[N+](=O)[O-] ZINC000178687705 232377779 /nfs/dbraw/zinc/37/77/79/232377779.db2.gz KZIVUIGVAUBRNO-STQMWFEESA-N 1 0 347.440 3.320 20 5 EGBDRO C[NH+]1CCC2(CCCN(c3ccc([N+](=O)[O-])c4cnccc43)C2)CC1 ZINC000376133880 282728663 /nfs/dbraw/zinc/72/86/63/282728663.db2.gz OMKSAKRNBBUUDA-UHFFFAOYSA-N 1 0 340.427 3.455 20 5 EGBDRO Cc1cc(N2CCC(C3OCCO3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000181500606 234206774 /nfs/dbraw/zinc/20/67/74/234206774.db2.gz VZOOGVJTMJQIDN-UHFFFAOYSA-N 1 0 343.383 3.041 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)N([C@@H](C)C2CC2)C2CC2)cc1[N+](=O)[O-] ZINC000181809344 234332050 /nfs/dbraw/zinc/33/20/50/234332050.db2.gz OOYLSBFRBBOLLM-KGLIPLIRSA-N 1 0 345.443 3.343 20 5 EGBDRO CN(CC1([NH+](C)C)CCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000187438771 236211156 /nfs/dbraw/zinc/21/11/56/236211156.db2.gz FSBKCVSDNAOYSL-UHFFFAOYSA-N 1 0 340.811 3.196 20 5 EGBDRO CCSCC[C@@H](C)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000072900316 216326321 /nfs/dbraw/zinc/32/63/21/216326321.db2.gz KJDJQQYHJORKKJ-CYBMUJFWSA-N 1 0 339.461 3.305 20 5 EGBDRO CC(C)(C)[NH+]1CCC(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000193609511 240233053 /nfs/dbraw/zinc/23/30/53/240233053.db2.gz KUDFBNFLUBCWNB-UHFFFAOYSA-N 1 0 339.823 3.241 20 5 EGBDRO Cc1cc(NCC[N@@H+](C)C(C)C)c(Br)cc1[N+](=O)[O-] ZINC000232640258 242276026 /nfs/dbraw/zinc/27/60/26/242276026.db2.gz NWOBSWAQJLDTPJ-UHFFFAOYSA-N 1 0 330.226 3.418 20 5 EGBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000266309782 248240110 /nfs/dbraw/zinc/24/01/10/248240110.db2.gz NVNFECVJTKNDIF-CYBMUJFWSA-N 1 0 345.399 3.145 20 5 EGBDRO CCn1cnnc1C1CC[NH+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000266563089 248361422 /nfs/dbraw/zinc/36/14/22/248361422.db2.gz YLBSWRVQOMAHTJ-CYBMUJFWSA-N 1 0 329.404 3.147 20 5 EGBDRO COCc1cc([N+](=O)[O-])ccc1N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000266995259 248541283 /nfs/dbraw/zinc/54/12/83/248541283.db2.gz DEJHMRJXHMFWGQ-INIZCTEOSA-N 1 0 333.432 3.196 20 5 EGBDRO Cc1ccc(C[NH+]2CCC(CC(=O)N3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000092056012 218111641 /nfs/dbraw/zinc/11/16/41/218111641.db2.gz DEGKBQWTCHABBF-UHFFFAOYSA-N 1 0 345.443 3.128 20 5 EGBDRO CCCC(=O)NC[C@H]1CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000092707525 218160396 /nfs/dbraw/zinc/16/03/96/218160396.db2.gz PHMDXSNJFQWDGE-VGZDNEPHSA-N 1 0 345.443 3.236 20 5 EGBDRO Cc1ccc(C[NH+]2CCC(OC[C@H]3CCCCO3)CC2)cc1[N+](=O)[O-] ZINC000093842133 218254963 /nfs/dbraw/zinc/25/49/63/218254963.db2.gz FKAUWPHOPQAZRH-GOSISDBHSA-N 1 0 348.443 3.453 20 5 EGBDRO Cc1nccn1CCC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000268773808 252224105 /nfs/dbraw/zinc/22/41/05/252224105.db2.gz AMYUOQQMANKJNA-QGZVFWFLSA-N 1 0 328.416 3.101 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCc1ccc(O)cc1)C1CC1 ZINC000268833875 252283514 /nfs/dbraw/zinc/28/35/14/252283514.db2.gz XILZSJKODYSIRI-SFHVURJKSA-N 1 0 326.396 3.454 20 5 EGBDRO C[C@H]([NH2+]C1CCN(CC(F)(F)F)CC1)c1cccc([N+](=O)[O-])c1 ZINC000268840541 252288475 /nfs/dbraw/zinc/28/84/75/252288475.db2.gz ZJGFYOZDRIUXEM-NSHDSACASA-N 1 0 331.338 3.272 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]([NH+]3CCCC3)C2)c(C(F)(F)F)c1 ZINC000058308209 285128447 /nfs/dbraw/zinc/12/84/47/285128447.db2.gz BARGJJSBQMFWNT-GFCCVEGCSA-N 1 0 329.322 3.288 20 5 EGBDRO C[NH+](C)CC[C@H](NC(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(C)(C)C ZINC000116126810 220933251 /nfs/dbraw/zinc/93/32/51/220933251.db2.gz ZSYHQQASORIOFJ-AWEZNQCLSA-N 1 0 341.839 3.344 20 5 EGBDRO Cc1cccnc1[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])C(C)C ZINC000118839267 221194445 /nfs/dbraw/zinc/19/44/45/221194445.db2.gz SXQBSIIGQQTRDV-KRWDZBQOSA-N 1 0 342.399 3.224 20 5 EGBDRO CC[C@H]([NH2+]CC(=O)N(C)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000119106338 221245164 /nfs/dbraw/zinc/24/51/64/221245164.db2.gz GZYGCFROEBGIBQ-SFHVURJKSA-N 1 0 341.411 3.294 20 5 EGBDRO C[C@@H](NC(=O)c1csc([N+](=O)[O-])c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181553336 533317686 /nfs/dbraw/zinc/31/76/86/533317686.db2.gz GCOAJVNHIVAECI-NEPJUHHUSA-N 1 0 337.445 3.039 20 5 EGBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000187168224 533298635 /nfs/dbraw/zinc/29/86/35/533298635.db2.gz DTJOLRVGDKVWFG-DYVFJYSZSA-N 1 0 327.384 3.016 20 5 EGBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(OCC2CC2)c(F)c1 ZINC000181569632 533406564 /nfs/dbraw/zinc/40/65/64/533406564.db2.gz YLQOEBLAWBVMHM-GFCCVEGCSA-N 1 0 348.378 3.070 20 5 EGBDRO Cc1ccc(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000237587380 141009526 /nfs/dbraw/zinc/00/95/26/141009526.db2.gz QHAMOXNATMFLOJ-UHFFFAOYSA-N 1 0 347.802 3.076 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]Cc1cn2ccccc2n1 ZINC000337823991 141062551 /nfs/dbraw/zinc/06/25/51/141062551.db2.gz ULVAOOTVZOCUQI-UHFFFAOYSA-N 1 0 330.775 3.228 20 5 EGBDRO C[C@@H]1C[C@@H](CCNc2c([N+](=O)[O-])ncn2C)C[N@@H+]1Cc1ccccc1 ZINC000338041869 141078751 /nfs/dbraw/zinc/07/87/51/141078751.db2.gz ANDRQHNIJCAJPL-GDBMZVCRSA-N 1 0 343.431 3.041 20 5 EGBDRO CC[NH+](CC)CCOC1CCN(c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000342791609 141147843 /nfs/dbraw/zinc/14/78/43/141147843.db2.gz RVXBXYNGCJFFOT-UHFFFAOYSA-N 1 0 339.411 3.061 20 5 EGBDRO C[C@@H]1CCCC[C@@H]1C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000346212195 141181661 /nfs/dbraw/zinc/18/16/61/141181661.db2.gz WSVDBHHJKSFTQG-NVXWUHKLSA-N 1 0 345.443 3.179 20 5 EGBDRO C[C@@H]1CC[N@H+](C)CCN1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000353448664 141298024 /nfs/dbraw/zinc/29/80/24/141298024.db2.gz NZVMACZDJWEMIY-CQSZACIVSA-N 1 0 329.400 3.381 20 5 EGBDRO C[C@@H]1CC[N@H+](C)CCN1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000353457576 141300355 /nfs/dbraw/zinc/30/03/55/141300355.db2.gz ZSCSGCONPYIZSZ-CYBMUJFWSA-N 1 0 346.456 3.244 20 5 EGBDRO CCOc1ccccc1C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173471757 144042808 /nfs/dbraw/zinc/04/28/08/144042808.db2.gz KTCXLMZKLNDDOL-HNNXBMFYSA-N 1 0 342.399 3.075 20 5 EGBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000186714129 144141578 /nfs/dbraw/zinc/14/15/78/144141578.db2.gz SXJYGSGKIBWMSC-IBGZPJMESA-N 1 0 340.379 3.105 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@H]2OCCC[C@H]12 ZINC000187283675 144156222 /nfs/dbraw/zinc/15/62/22/144156222.db2.gz XQPYUAJNMJZVCQ-LNSZTPPCSA-N 1 0 330.428 3.463 20 5 EGBDRO CSc1cccc(C(=O)NCC[NH+](C(C)C)C(C)C)c1[N+](=O)[O-] ZINC000188015605 144167833 /nfs/dbraw/zinc/16/78/33/144167833.db2.gz NWWSEZOLRRLQIM-UHFFFAOYSA-N 1 0 339.461 3.165 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCCOC[C@H]1CCCO1 ZINC000344789430 144224800 /nfs/dbraw/zinc/22/48/00/144224800.db2.gz HOKNEVMQTPXUGQ-VHUCWBOISA-N 1 0 334.416 3.173 20 5 EGBDRO CCCN(CC[NH+](C)C)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000344834749 144228637 /nfs/dbraw/zinc/22/86/37/144228637.db2.gz SHZDKWKPDFOMQC-UHFFFAOYSA-N 1 0 347.337 3.027 20 5 EGBDRO C[C@@H]1[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CCC12CCOCC2 ZINC000363793388 144367698 /nfs/dbraw/zinc/36/76/98/144367698.db2.gz IFOMIRRDTXXWLT-LBPRGKRZSA-N 1 0 331.372 3.127 20 5 EGBDRO CC[C@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccccc1 ZINC000341226927 155213982 /nfs/dbraw/zinc/21/39/82/155213982.db2.gz IBDHSGYIRCRQSX-ZWKOTPCHSA-N 1 0 339.395 3.441 20 5 EGBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)C[NH+](C)C ZINC000341278203 155224598 /nfs/dbraw/zinc/22/45/98/155224598.db2.gz GNGKJPHQUGACSI-LBPRGKRZSA-N 1 0 339.461 3.024 20 5 EGBDRO CC(C)[C@@H](CNc1ncnc2sc([N+](=O)[O-])cc21)[NH+]1CCCC1 ZINC000341429283 155287826 /nfs/dbraw/zinc/28/78/26/155287826.db2.gz JWABYSDHMVPFPT-GFCCVEGCSA-N 1 0 335.433 3.132 20 5 EGBDRO COc1ccc(NC(=O)CC[NH2+][C@@H]2CC[C@@H](C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000119280948 152191977 /nfs/dbraw/zinc/19/19/77/152191977.db2.gz AEMLEUVAELKFJZ-UMVBOHGHSA-N 1 0 349.431 3.346 20 5 EGBDRO CC(C)c1ccc(CNc2ccn(CC[NH+](C)C)n2)cc1[N+](=O)[O-] ZINC000119818903 152231281 /nfs/dbraw/zinc/23/12/81/152231281.db2.gz MLQFTTVSSXGXCD-UHFFFAOYSA-N 1 0 331.420 3.088 20 5 EGBDRO COC(=O)[C@H](C)C[N@H+](C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000120610213 152287724 /nfs/dbraw/zinc/28/77/24/152287724.db2.gz FIISCPALIWSKEE-GFCCVEGCSA-N 1 0 332.356 3.096 20 5 EGBDRO Cc1cc(C(=O)NCc2ccc(C[NH+](C)C)c(F)c2)cc([N+](=O)[O-])c1 ZINC000121988305 152383230 /nfs/dbraw/zinc/38/32/30/152383230.db2.gz DSWAHRKVKLUBRS-UHFFFAOYSA-N 1 0 345.374 3.034 20 5 EGBDRO CC(C)C[NH+]1CCC(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000172510691 152806540 /nfs/dbraw/zinc/80/65/40/152806540.db2.gz SLUFFCWKISHIRZ-UHFFFAOYSA-N 1 0 339.823 3.098 20 5 EGBDRO O=[N+]([O-])c1ccc(OCC[NH+]2CCC(OC3CCCC3)CC2)cc1 ZINC000195329108 153396423 /nfs/dbraw/zinc/39/64/23/153396423.db2.gz FHTQCCKGWHMKHI-UHFFFAOYSA-N 1 0 334.416 3.397 20 5 EGBDRO Cn1cc(C[NH2+]Cc2cccs2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237935779 153543349 /nfs/dbraw/zinc/54/33/49/153543349.db2.gz WIBUXDNNTDWAJM-UHFFFAOYSA-N 1 0 328.397 3.347 20 5 EGBDRO Cc1cc2ncc([C@H](C)[NH2+]Cc3cccc([N+](=O)[O-])c3C)c(C)n2n1 ZINC000327686675 154188679 /nfs/dbraw/zinc/18/86/79/154188679.db2.gz QNOYZNRXZIQNFD-ZDUSSCGKSA-N 1 0 339.399 3.414 20 5 EGBDRO CC[C@H]([NH2+]C[C@@H](CC(C)C)N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000336885285 154229712 /nfs/dbraw/zinc/22/97/12/154229712.db2.gz DCQLFEFPMJLQFX-MOPGFXCFSA-N 1 0 349.475 3.382 20 5 EGBDRO CCC[C@H]([NH2+]C1CCN(C(=O)C2CC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000336893996 154232520 /nfs/dbraw/zinc/23/25/20/154232520.db2.gz VMORMTKDDYVIDC-SFHVURJKSA-N 1 0 345.443 3.427 20 5 EGBDRO COc1ccc(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)cn1 ZINC000126362726 162300969 /nfs/dbraw/zinc/30/09/69/162300969.db2.gz UAKMYCDPJZUCQH-INIZCTEOSA-N 1 0 327.384 3.109 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3cnc4ccccc4c3)C2)nc1 ZINC000337193539 163159432 /nfs/dbraw/zinc/15/94/32/163159432.db2.gz VNFRSXKUHCNWTB-INIZCTEOSA-N 1 0 349.394 3.224 20 5 EGBDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cnc4ccccc4c3)CC2)n1 ZINC000337209391 163162704 /nfs/dbraw/zinc/16/27/04/163162704.db2.gz SBTCRCGOUUPENC-UHFFFAOYSA-N 1 0 337.383 3.177 20 5 EGBDRO Cc1ccc(C(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000342286379 163837077 /nfs/dbraw/zinc/83/70/77/163837077.db2.gz WBSWFGUGYBXLJV-ACJLOTCBSA-N 1 0 333.432 3.144 20 5 EGBDRO CN(CCC[N@H+](C)Cc1ccco1)c1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000343800215 164037739 /nfs/dbraw/zinc/03/77/39/164037739.db2.gz BULTXDRQMOFHGM-UHFFFAOYSA-N 1 0 344.415 3.114 20 5 EGBDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@@H](C)c3cc([N+](=O)[O-])ccc3C)[C@@H]2C1 ZINC000343926455 164068009 /nfs/dbraw/zinc/06/80/09/164068009.db2.gz JBFQQRMDYKDDNC-JOQQVMPUSA-N 1 0 345.443 3.201 20 5 EGBDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000343946285 164071390 /nfs/dbraw/zinc/07/13/90/164071390.db2.gz WUSKRVXHBKLUKK-RUGDWHBFSA-N 1 0 345.443 3.201 20 5 EGBDRO CCO[C@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC)C12CCCC2 ZINC000344105808 164104661 /nfs/dbraw/zinc/10/46/61/164104661.db2.gz QEQNLNWROQAALH-SJORKVTESA-N 1 0 334.416 3.431 20 5 EGBDRO C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCCN1C ZINC000344318299 164155107 /nfs/dbraw/zinc/15/51/07/164155107.db2.gz AMCHKVKSDLLHSD-DYVFJYSZSA-N 1 0 329.400 3.427 20 5 EGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCc1ccn(C)n1 ZINC000355065730 166097810 /nfs/dbraw/zinc/09/78/10/166097810.db2.gz TZOXQJJJQBHGCC-CYBMUJFWSA-N 1 0 334.445 3.031 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCN2CC=CCC2)o1 ZINC000355503745 166223633 /nfs/dbraw/zinc/22/36/33/166223633.db2.gz TXGLGQYJWBSLOY-UHFFFAOYSA-N 1 0 327.384 3.206 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H](CO)CC3CCC3)o2)cc1 ZINC000355533118 166234363 /nfs/dbraw/zinc/23/43/63/166234363.db2.gz OXQHKFHEFHAZBU-OAHLLOKOSA-N 1 0 330.384 3.496 20 5 EGBDRO [NH3+]CCCN(CC1CCCC1)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000357348240 166655240 /nfs/dbraw/zinc/65/52/40/166655240.db2.gz XYIVENKJQJNDBI-UHFFFAOYSA-N 1 0 339.823 3.229 20 5 EGBDRO CC[C@@H](C)[NH2+][C@H](CNC(=O)c1cccc([N+](=O)[O-])c1C)c1ccco1 ZINC000359549430 167189695 /nfs/dbraw/zinc/18/96/95/167189695.db2.gz WDJCSTANXFSSTD-IUODEOHRSA-N 1 0 345.399 3.355 20 5 EGBDRO CC[C@@H](C)[NH2+][C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)c1ccco1 ZINC000359561129 167194070 /nfs/dbraw/zinc/19/40/70/167194070.db2.gz QQHLRPKZUSCZPC-IAQYHMDHSA-N 1 0 349.362 3.186 20 5 EGBDRO CC[C@H](C)[NH2+][C@@H](CNC(=O)c1ccc([N+](=O)[O-])s1)c1ccco1 ZINC000359565405 167195601 /nfs/dbraw/zinc/19/56/01/167195601.db2.gz USEFLCQNTOIHNU-QWRGUYRKSA-N 1 0 337.401 3.109 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(NC[C@H](C)[N@@H+]2CCc3ccccc3C2)n1 ZINC000360674448 167386072 /nfs/dbraw/zinc/38/60/72/167386072.db2.gz GOSCJJOLHDMISA-AWEZNQCLSA-N 1 0 326.400 3.157 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]C1CCN(CC(F)F)CC1 ZINC000361457431 167606722 /nfs/dbraw/zinc/60/67/22/167606722.db2.gz SSCCZHSTGMOIMP-UHFFFAOYSA-N 1 0 347.793 3.110 20 5 EGBDRO C[C@H]1C[C@H](c2ccccc2)CC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000366868046 168150660 /nfs/dbraw/zinc/15/06/60/168150660.db2.gz LKQZFFHHVLWWDO-DOTOQJQBSA-N 1 0 341.411 3.025 20 5 EGBDRO Cc1nccn1CCCC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000164593610 226084920 /nfs/dbraw/zinc/08/49/20/226084920.db2.gz UJCNMALGEGTYIZ-SFHVURJKSA-N 1 0 342.443 3.491 20 5 EGBDRO CC[NH2+]Cc1cccc(NC(=O)CCNc2ccccc2[N+](=O)[O-])c1 ZINC000123048726 222206699 /nfs/dbraw/zinc/20/66/99/222206699.db2.gz KPAGHDVHWANCEC-UHFFFAOYSA-N 1 0 342.399 3.145 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000177515786 265257800 /nfs/dbraw/zinc/25/78/00/265257800.db2.gz MWIDHZPPUCANNN-GASCZTMLSA-N 1 0 331.416 3.354 20 5 EGBDRO Cc1ccc(C(=O)NCC[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000193911419 266073455 /nfs/dbraw/zinc/07/34/55/266073455.db2.gz JVQDAJDXRLLJAK-HNNXBMFYSA-N 1 0 341.411 3.292 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@@H](c3cccc(F)c3)C2)c1 ZINC000269643077 266331675 /nfs/dbraw/zinc/33/16/75/266331675.db2.gz JUASXUHSMLDXHD-CRAIPNDOSA-N 1 0 330.359 3.257 20 5 EGBDRO C[C@@H]1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@H](c2ccccc2)CO1 ZINC000269670483 266337784 /nfs/dbraw/zinc/33/77/84/266337784.db2.gz UJHKUTCWPDFQIY-MDASCCDHSA-N 1 0 342.395 3.090 20 5 EGBDRO COCC[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H](C)c1ccccc1 ZINC000269679013 266340138 /nfs/dbraw/zinc/34/01/38/266340138.db2.gz XTCGKEZSCVOPOE-HNAYVOBHSA-N 1 0 344.411 3.338 20 5 EGBDRO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)Cc1ccncc1 ZINC000271042017 266594575 /nfs/dbraw/zinc/59/45/75/266594575.db2.gz TXUNJAPFOAGSLD-UHFFFAOYSA-N 1 0 342.399 3.149 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@@H]1COC2(CCCC2)O1)C1CC1 ZINC000271726483 266713250 /nfs/dbraw/zinc/71/32/50/266713250.db2.gz OLKXLBBYSMJQQU-SJORKVTESA-N 1 0 346.427 3.191 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(NC(=O)C(C)C)CC1 ZINC000272201316 266790759 /nfs/dbraw/zinc/79/07/59/266790759.db2.gz AMFGQZAIMURDEB-CQSZACIVSA-N 1 0 333.432 3.201 20 5 EGBDRO CCC(C)(C)[NH2+][C@H](C)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000273237209 267003181 /nfs/dbraw/zinc/00/31/81/267003181.db2.gz SVAMQKSUOXYNCP-CYBMUJFWSA-N 1 0 333.432 3.253 20 5 EGBDRO CCC(C)(C)[NH2+][C@@H](C)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000273237211 267003593 /nfs/dbraw/zinc/00/35/93/267003593.db2.gz SVAMQKSUOXYNCP-ZDUSSCGKSA-N 1 0 333.432 3.253 20 5 EGBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1NCc1cn2c(n1)CCCC2 ZINC000278529200 268032333 /nfs/dbraw/zinc/03/23/33/268032333.db2.gz ZXOVMLUKGGORMJ-UHFFFAOYSA-N 1 0 341.293 3.154 20 5 EGBDRO COC[C@H]([NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@H]1CCCO1 ZINC000278557248 268038570 /nfs/dbraw/zinc/03/85/70/268038570.db2.gz CAYNMVHLSMCDEN-FUHWJXTLSA-N 1 0 346.383 3.138 20 5 EGBDRO C[C@H](CCc1ccc(O)cc1)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278562694 268039914 /nfs/dbraw/zinc/03/99/14/268039914.db2.gz AZSHHYOSQCPBSR-GFCCVEGCSA-N 1 0 340.383 3.288 20 5 EGBDRO COc1ccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c(OC)c1OC ZINC000178647281 533688156 /nfs/dbraw/zinc/68/81/56/533688156.db2.gz LLOUYWOWDGTUOY-LBPRGKRZSA-N 1 0 346.383 3.471 20 5 EGBDRO COc1ccc(C[N@H+](CCO)[C@H]2CCc3ccccc32)cc1[N+](=O)[O-] ZINC000265180057 274108848 /nfs/dbraw/zinc/10/88/48/274108848.db2.gz GILJBVKARYZCHG-KRWDZBQOSA-N 1 0 342.395 3.085 20 5 EGBDRO COc1ccc(C[NH2+][C@H]2CCCc3c(O)cccc32)cc1[N+](=O)[O-] ZINC000191665964 274111314 /nfs/dbraw/zinc/11/13/14/274111314.db2.gz BUVFUPLPBWGPLL-HNNXBMFYSA-N 1 0 328.368 3.476 20 5 EGBDRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000262771032 274506819 /nfs/dbraw/zinc/50/68/19/274506819.db2.gz UOBTZDOMNKRRRG-GXFFZTMASA-N 1 0 333.413 3.151 20 5 EGBDRO O=C([C@H]1CC[N@@H+](C2CCCCC2)C1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000176800580 275008715 /nfs/dbraw/zinc/00/87/15/275008715.db2.gz ZCHKETCOKWEMSX-AWEZNQCLSA-N 1 0 343.427 3.139 20 5 EGBDRO O=[N+]([O-])c1cc(Br)ccc1N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000219298547 275032965 /nfs/dbraw/zinc/03/29/65/275032965.db2.gz FJYVZQBSGKICOJ-OLZOCXBDSA-N 1 0 340.221 3.396 20 5 EGBDRO O=[N+]([O-])c1ccccc1N1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000057938041 275040224 /nfs/dbraw/zinc/04/02/24/275040224.db2.gz KCAVLFKWBJLOPA-UHFFFAOYSA-N 1 0 348.406 3.465 20 5 EGBDRO CC(=O)c1ccc(N[C@H]2CC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000007980929 275118550 /nfs/dbraw/zinc/11/85/50/275118550.db2.gz BCJJVZVFCOLQEF-KRWDZBQOSA-N 1 0 339.395 3.484 20 5 EGBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H](Cc2ccccc2)c2ccccc2)c1 ZINC000157574973 275194995 /nfs/dbraw/zinc/19/49/95/275194995.db2.gz BMMYQLNKZIOENF-LJQANCHMSA-N 1 0 336.395 3.365 20 5 EGBDRO COc1ccccc1C[C@@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278745364 275271040 /nfs/dbraw/zinc/27/10/40/275271040.db2.gz RNAVPMLYWBROBO-GFCCVEGCSA-N 1 0 340.383 3.201 20 5 EGBDRO Cn1cc(CCC[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cn1 ZINC000279047988 275299155 /nfs/dbraw/zinc/29/91/55/275299155.db2.gz JVMZSZHXVRLEQP-QGZVFWFLSA-N 1 0 328.416 3.273 20 5 EGBDRO Cc1cccc(CC2(O)CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000279651935 275346936 /nfs/dbraw/zinc/34/69/36/275346936.db2.gz FEVNMBSCESVLTL-UHFFFAOYSA-N 1 0 340.423 3.473 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CCN3CC=CCC3)cs2)c1 ZINC000279830876 275363952 /nfs/dbraw/zinc/36/39/52/275363952.db2.gz QFACRKVXVUJWTR-UHFFFAOYSA-N 1 0 344.440 3.070 20 5 EGBDRO CC(=O)N1CCC[C@@H](C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000281283545 275536452 /nfs/dbraw/zinc/53/64/52/275536452.db2.gz XRABHNKKDLBAEU-KBXCAEBGSA-N 1 0 345.443 3.165 20 5 EGBDRO Cc1ccc(C[NH2+][C@]2(CO)CCCc3ccccc32)cc1[N+](=O)[O-] ZINC000282199464 275610816 /nfs/dbraw/zinc/61/08/16/275610816.db2.gz CMOGQYKFIOKBQY-IBGZPJMESA-N 1 0 326.396 3.217 20 5 EGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCO[C@@H]1c1cccnc1 ZINC000284545347 275808821 /nfs/dbraw/zinc/80/88/21/275808821.db2.gz HCDAYGFAFZURTL-DKSSEZFCSA-N 1 0 341.411 3.431 20 5 EGBDRO CCS[C@H]1CCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000284821323 275828755 /nfs/dbraw/zinc/82/87/55/275828755.db2.gz ABKIKSXWWJBBBB-OCCSQVGLSA-N 1 0 325.390 3.267 20 5 EGBDRO CC(C)(C)[C@@H]1NC(=O)CC[C@H]1[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000285775604 275911070 /nfs/dbraw/zinc/91/10/70/275911070.db2.gz UGIUSUGTTKJSMG-JFIYKMOQSA-N 1 0 345.443 3.255 20 5 EGBDRO Nc1ccc(N2CCC(CCC[NH+]3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000286323485 275982173 /nfs/dbraw/zinc/98/21/73/275982173.db2.gz UUTOSWXZYXHKMI-UHFFFAOYSA-N 1 0 332.448 3.269 20 5 EGBDRO Cn1ccnc1[C@@H]([NH2+]C[C@@H]1CCCSC1)c1ccc([N+](=O)[O-])cc1 ZINC000287079774 276080603 /nfs/dbraw/zinc/08/06/03/276080603.db2.gz OOIGMCZIGNXKIO-BBRMVZONSA-N 1 0 346.456 3.151 20 5 EGBDRO CC[NH+](CC)CCCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000171980388 276095751 /nfs/dbraw/zinc/09/57/51/276095751.db2.gz HWDVBMKBISRDMG-UHFFFAOYSA-N 1 0 327.812 3.100 20 5 EGBDRO CC[NH+](CC)CCCNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000266255164 276097421 /nfs/dbraw/zinc/09/74/21/276097421.db2.gz UKNPHRLHFQXZQX-UHFFFAOYSA-N 1 0 347.337 3.075 20 5 EGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](OCc2ccncc2)C1 ZINC000287669848 276145692 /nfs/dbraw/zinc/14/56/92/276145692.db2.gz HNYSIQSDWYEPQA-GDBMZVCRSA-N 1 0 327.384 3.342 20 5 EGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](OCc2ccncc2)C1 ZINC000287669858 276145698 /nfs/dbraw/zinc/14/56/98/276145698.db2.gz HNYSIQSDWYEPQA-HOCLYGCPSA-N 1 0 327.384 3.342 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000287673747 276145981 /nfs/dbraw/zinc/14/59/81/276145981.db2.gz SGNSCNNBBYBJMP-HUUCEWRRSA-N 1 0 346.431 3.302 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000289098141 276290406 /nfs/dbraw/zinc/29/04/06/276290406.db2.gz PLGMHFJGJLKCDH-UKRRQHHQSA-N 1 0 346.431 3.302 20 5 EGBDRO COC(=O)CCCCC[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000289899086 276415396 /nfs/dbraw/zinc/41/53/96/276415396.db2.gz UGVCTZRGMUCAQZ-UHFFFAOYSA-N 1 0 346.330 3.019 20 5 EGBDRO C[N@@H+]1CCC[C@H]2CN(c3ccc4ncccc4c3[N+](=O)[O-])CC[C@H]21 ZINC000247025861 277084857 /nfs/dbraw/zinc/08/48/57/277084857.db2.gz NFCXDRRWCWAJLB-XJKSGUPXSA-N 1 0 326.400 3.064 20 5 EGBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000175780884 278190234 /nfs/dbraw/zinc/19/02/34/278190234.db2.gz WTRIJCLYTHPGJN-VXGBXAGGSA-N 1 0 339.823 3.098 20 5 EGBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1ncnc2cccc([N+](=O)[O-])c21 ZINC000347425120 278267501 /nfs/dbraw/zinc/26/75/01/278267501.db2.gz ZJSVOIFOAQONTJ-MJBXVCDLSA-N 1 0 343.431 3.316 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000085635113 281009156 /nfs/dbraw/zinc/00/91/56/281009156.db2.gz DMIHZJSOUIVLMD-AWEZNQCLSA-N 1 0 334.420 3.017 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(N2CCCCC2=O)CC1 ZINC000182849412 281019457 /nfs/dbraw/zinc/01/94/57/281019457.db2.gz HDSKOWFPLWLHCL-OAHLLOKOSA-N 1 0 345.443 3.441 20 5 EGBDRO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000063626693 307355216 /nfs/dbraw/zinc/35/52/16/307355216.db2.gz KUNVAWSRVIWROW-HNNXBMFYSA-N 1 0 349.431 3.332 20 5 EGBDRO CC[C@H]([NH2+][C@@H]1CCN(c2ccccc2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000090068873 307457644 /nfs/dbraw/zinc/45/76/44/307457644.db2.gz NJTNAFMFONJKLU-ZWKOTPCHSA-N 1 0 339.395 3.441 20 5 EGBDRO CC[C@H]1CCCC[C@H]1[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000118983936 307489062 /nfs/dbraw/zinc/48/90/62/307489062.db2.gz CGRSPSKXNLBWGW-DZGCQCFKSA-N 1 0 349.431 3.490 20 5 EGBDRO COc1ccc([C@@H](CO)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000414189012 309065828 /nfs/dbraw/zinc/06/58/28/309065828.db2.gz QUOXKYFLHTYIAV-XJKSGUPXSA-N 1 0 330.384 3.030 20 5 EGBDRO COc1ccc([C@@H](CO)C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000414196684 309066306 /nfs/dbraw/zinc/06/63/06/309066306.db2.gz VTKWHRUJRCAKKO-XJKSGUPXSA-N 1 0 330.384 3.030 20 5 EGBDRO Cc1c([C@H](C)[NH2+]CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000247889635 307997901 /nfs/dbraw/zinc/99/79/01/307997901.db2.gz FBNSBFLQNNOSSQ-DZKIICNBSA-N 1 0 349.475 3.442 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1C[C@H](C)[C@@H]2CCCC[C@H]21 ZINC000248412727 308002478 /nfs/dbraw/zinc/00/24/78/308002478.db2.gz FOTHYRCQJUFQOQ-JLJPHGGASA-N 1 0 331.416 3.352 20 5 EGBDRO O=C(/C=C\c1cccc([N+](=O)[O-])c1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000255612508 308055484 /nfs/dbraw/zinc/05/54/84/308055484.db2.gz ZXORWBGZHZAKSI-KTKRTIGZSA-N 1 0 343.427 3.085 20 5 EGBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000255631038 308056161 /nfs/dbraw/zinc/05/61/61/308056161.db2.gz JBDIVOAGDLCWDA-IBWPDUFMSA-N 1 0 343.427 3.085 20 5 EGBDRO O=[N+]([O-])c1cccc(C[NH2+]CCc2cc(C(F)(F)F)ccn2)c1 ZINC000292890006 308076880 /nfs/dbraw/zinc/07/68/80/308076880.db2.gz FTMJNAJFJOCRNW-UHFFFAOYSA-N 1 0 325.290 3.341 20 5 EGBDRO O=C1CCc2cc([N+](=O)[O-])c(NCCCCC[NH+]3CCCC3)cc2N1 ZINC000292909186 308079029 /nfs/dbraw/zinc/07/90/29/308079029.db2.gz XGTVTQJQCAMZNT-UHFFFAOYSA-N 1 0 346.431 3.158 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCCO[C@@H](CF)C3)o2)cc1 ZINC000414473250 309082624 /nfs/dbraw/zinc/08/26/24/309082624.db2.gz AOJCAXKPLMSFAE-INIZCTEOSA-N 1 0 334.347 3.415 20 5 EGBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)[C@@H](O)c1ccc(F)cc1 ZINC000293611501 308146158 /nfs/dbraw/zinc/14/61/58/308146158.db2.gz GOQOVWHYMXTBPW-WVQJBOLRSA-N 1 0 333.363 3.089 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CC2(CCOCC2)[C@@H]1C1CC1 ZINC000293710591 308155015 /nfs/dbraw/zinc/15/50/15/308155015.db2.gz SIKSAWKOJQRIIA-YZTRRJNXSA-N 1 0 328.412 3.499 20 5 EGBDRO CCC[C@H]([NH2+]CC1(COC)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000293725290 308156435 /nfs/dbraw/zinc/15/64/35/308156435.db2.gz PUPGCMHXEFDVDC-KRWDZBQOSA-N 1 0 336.432 3.469 20 5 EGBDRO COc1cccc(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1OC ZINC000293779543 308161205 /nfs/dbraw/zinc/16/12/05/308161205.db2.gz QAYIRQNKCBPWCQ-NSHDSACASA-N 1 0 331.372 3.045 20 5 EGBDRO CC[C@H](C[NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-])CC(F)(F)F ZINC000414515642 309085884 /nfs/dbraw/zinc/08/58/84/309085884.db2.gz MLZSMBGFPDELLM-VIFPVBQESA-N 1 0 336.310 3.377 20 5 EGBDRO C[C@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccc([S@@](C)=O)cc1 ZINC000294678552 308245025 /nfs/dbraw/zinc/24/50/25/308245025.db2.gz IBKKLHROYACTRM-BGBYCUJFSA-N 1 0 347.440 3.326 20 5 EGBDRO CCC(=O)c1ccc(N2CC[N@@H+](C3CC3)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000294885657 308267825 /nfs/dbraw/zinc/26/78/25/308267825.db2.gz GKKCUFKMJKTEHE-CYBMUJFWSA-N 1 0 331.416 3.108 20 5 EGBDRO C[C@H]1[C@@H](CO)CCC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000414587697 309090756 /nfs/dbraw/zinc/09/07/56/309090756.db2.gz VILSAIGSEKCNPK-UONOGXRCSA-N 1 0 330.384 3.448 20 5 EGBDRO [NH3+]C1(c2noc(-c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)n2)CCCC1 ZINC000414617406 309091780 /nfs/dbraw/zinc/09/17/80/309091780.db2.gz LLPUORLPLYKRDX-UHFFFAOYSA-N 1 0 342.277 3.392 20 5 EGBDRO Cn1ccnc1[C@H]1N(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1(C)C ZINC000295915633 308373999 /nfs/dbraw/zinc/37/39/99/308373999.db2.gz OLIIBSLSJNMVPW-CYBMUJFWSA-N 1 0 348.790 3.205 20 5 EGBDRO C[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)N(C)Cc1ccccc1 ZINC000296528428 308437434 /nfs/dbraw/zinc/43/74/34/308437434.db2.gz CSZOXIYQANDQRR-GJZGRUSLSA-N 1 0 341.411 3.293 20 5 EGBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000296787708 308467285 /nfs/dbraw/zinc/46/72/85/308467285.db2.gz SNNYZDNKUOHWPT-STQMWFEESA-N 1 0 343.383 3.281 20 5 EGBDRO C[C@H]([NH2+][C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000297206146 308510051 /nfs/dbraw/zinc/51/00/51/308510051.db2.gz GHPVCLKAASEVKG-DANNLKNASA-N 1 0 347.415 3.111 20 5 EGBDRO COc1ccc(-c2ccc(CN[C@H](C[NH3+])CC(C)C)o2)c([N+](=O)[O-])c1 ZINC000414840648 309104952 /nfs/dbraw/zinc/10/49/52/309104952.db2.gz MPMGONNFNRZUBD-ZDUSSCGKSA-N 1 0 347.415 3.326 20 5 EGBDRO C[NH+](C)[C@@H](CNc1ncc(Cl)cc1[N+](=O)[O-])c1cccc(F)c1 ZINC000301727772 308712759 /nfs/dbraw/zinc/71/27/59/308712759.db2.gz BLFZTPXEWYAEER-AWEZNQCLSA-N 1 0 338.770 3.497 20 5 EGBDRO O=[N+]([O-])c1cc(F)c(N2CCC[C@H]2C[NH+]2CCCCC2)c(F)c1 ZINC000302406391 308736854 /nfs/dbraw/zinc/73/68/54/308736854.db2.gz GSFXLAOSQCLUEW-LBPRGKRZSA-N 1 0 325.359 3.328 20 5 EGBDRO Cc1ccc(OC[C@@H](O)C[NH2+]Cc2cccc([N+](=O)[O-])c2C)c(C)c1 ZINC000327676009 308771572 /nfs/dbraw/zinc/77/15/72/308771572.db2.gz MQZWFILNSJPKME-KRWDZBQOSA-N 1 0 344.411 3.050 20 5 EGBDRO C[C@H]([NH2+][C@@H]1CCCN(CC(C)(C)C)C1=O)c1ccccc1[N+](=O)[O-] ZINC000330901016 308800012 /nfs/dbraw/zinc/80/00/12/308800012.db2.gz OXSKHHZSRTXWGG-DZGCQCFKSA-N 1 0 333.432 3.283 20 5 EGBDRO C[C@H]([NH2+][C@H]1CCCN(CC(C)(C)C)C1=O)c1ccccc1[N+](=O)[O-] ZINC000330901019 308800078 /nfs/dbraw/zinc/80/00/78/308800078.db2.gz OXSKHHZSRTXWGG-ZFWWWQNUSA-N 1 0 333.432 3.283 20 5 EGBDRO Cc1ccc([C@@H](C)NC(=O)[C@H](C)[NH+]2CCCCCC2)cc1[N+](=O)[O-] ZINC000331954577 308822058 /nfs/dbraw/zinc/82/20/58/308822058.db2.gz JOYZAKTWIDDFIT-CABCVRRESA-N 1 0 333.432 3.345 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000332364096 308835312 /nfs/dbraw/zinc/83/53/12/308835312.db2.gz DGMMMHMTLWZBSA-LSDHHAIUSA-N 1 0 346.431 3.065 20 5 EGBDRO O=[N+]([O-])c1ccc2ccnc(N3CC[C@@H](C[NH+]4CCCC4)C3)c2c1 ZINC000413161493 309018998 /nfs/dbraw/zinc/01/89/98/309018998.db2.gz ZAMBUKATQFFXBR-AWEZNQCLSA-N 1 0 326.400 3.065 20 5 EGBDRO O=[N+]([O-])c1ccc2ccnc(NCCCCC[NH+]3CCCC3)c2c1 ZINC000413299861 309025798 /nfs/dbraw/zinc/02/57/98/309025798.db2.gz OZTIOHBKOQUPPD-UHFFFAOYSA-N 1 0 328.416 3.243 20 5 EGBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])c3ncccc23)CC[N@@H+](C2CC2)C1 ZINC000413339999 309027704 /nfs/dbraw/zinc/02/77/04/309027704.db2.gz ZKSUKLXAEHPSDZ-ZDUSSCGKSA-N 1 0 326.400 3.064 20 5 EGBDRO C[N@H+](CCCCNc1ccc([N+](=O)[O-])c(OC(F)F)c1)C1CC1 ZINC000413347536 309028036 /nfs/dbraw/zinc/02/80/36/309028036.db2.gz LHTXGLVMBMGSGO-UHFFFAOYSA-N 1 0 329.347 3.483 20 5 EGBDRO CN(CC[NH3+])Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000415100963 309120449 /nfs/dbraw/zinc/12/04/49/309120449.db2.gz BDCJAEWQMOHHSU-UHFFFAOYSA-N 1 0 335.791 3.431 20 5 EGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2COCc3ccccc32)n1 ZINC000417359265 309202853 /nfs/dbraw/zinc/20/28/53/309202853.db2.gz IJPHBZVIKBBZCC-GVDBMIGSSA-N 1 0 342.399 3.136 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@H]1CCN(CC(F)F)C1)CCCC2 ZINC000417380681 309203698 /nfs/dbraw/zinc/20/36/98/309203698.db2.gz HRIMLPBWRNRTPV-BBRMVZONSA-N 1 0 339.386 3.291 20 5 EGBDRO CO[C@@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)CC(C)C ZINC000418100690 309235471 /nfs/dbraw/zinc/23/54/71/309235471.db2.gz PCBVIOUKGXWCGZ-CYBMUJFWSA-N 1 0 332.347 3.347 20 5 EGBDRO O=C(NCCC[NH2+]C1CCCCC1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000419903769 309273246 /nfs/dbraw/zinc/27/32/46/309273246.db2.gz WWIYGZJHRSQGBC-ZWKOTPCHSA-N 1 0 345.443 3.127 20 5 EGBDRO Cc1cc(N2CC[C@H]3C[NH2+]C[C@H]3CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420260021 309278356 /nfs/dbraw/zinc/27/83/56/309278356.db2.gz MOFVISFOPWISEZ-TXEJJXNPSA-N 1 0 343.349 3.358 20 5 EGBDRO C[C@@H]1CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)[C@@H](C[NH3+])C1 ZINC000420268324 309278784 /nfs/dbraw/zinc/27/87/84/309278784.db2.gz YZGOIZLOKIUGAU-UKRRQHHQSA-N 1 0 326.400 3.220 20 5 EGBDRO CN(Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C[C@@H]1CCC[N@@H+]1C ZINC000420997336 309306444 /nfs/dbraw/zinc/30/64/44/309306444.db2.gz LCHVBBXLSZKPKJ-ZDUSSCGKSA-N 1 0 331.338 3.140 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000421762691 309339057 /nfs/dbraw/zinc/33/90/57/309339057.db2.gz NTVNZKMKKQBYOU-MRXNPFEDSA-N 1 0 345.443 3.302 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000421782934 309339967 /nfs/dbraw/zinc/33/99/67/309339967.db2.gz FDVWDSLDLXXNBH-MRXNPFEDSA-N 1 0 347.459 3.309 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000421886196 309345197 /nfs/dbraw/zinc/34/51/97/309345197.db2.gz GXFALWWUKSHLQS-ISTRZQFTSA-N 1 0 345.443 3.014 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCC1([NH3+])CCCCCC1 ZINC000422739538 309365985 /nfs/dbraw/zinc/36/59/85/309365985.db2.gz LRTOXWSUASDIQO-UHFFFAOYSA-N 1 0 333.432 3.302 20 5 EGBDRO CCc1ccc([C@@H](NC[C@@H](C)C[NH2+]C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000423281091 309393827 /nfs/dbraw/zinc/39/38/27/309393827.db2.gz VKLQJOPWTZRGRT-UGSOOPFHSA-N 1 0 331.416 3.285 20 5 EGBDRO COc1ccc(CC[C@@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)cc1O ZINC000426356416 309504997 /nfs/dbraw/zinc/50/49/97/309504997.db2.gz JXGWMNWYMSQREJ-CQSZACIVSA-N 1 0 344.411 3.462 20 5 EGBDRO Cc1cc(N[C@H]2Cc3cccc(O)c3C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000428678178 309558618 /nfs/dbraw/zinc/55/86/18/309558618.db2.gz GNPDGTMGCMSHNX-ZDUSSCGKSA-N 1 0 335.363 3.158 20 5 EGBDRO Cc1ccccc1OC[C@@H](O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429260321 309575761 /nfs/dbraw/zinc/57/57/61/309575761.db2.gz LVYDHIVGEPRLFB-HNNXBMFYSA-N 1 0 344.411 3.168 20 5 EGBDRO C[NH+](C)C1(CNC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000431868672 309645393 /nfs/dbraw/zinc/64/53/93/309645393.db2.gz OEAOTZYRGRRWML-UHFFFAOYSA-N 1 0 348.447 3.004 20 5 EGBDRO COCc1cccc(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000447544095 309981664 /nfs/dbraw/zinc/98/16/64/309981664.db2.gz NFPKHZSYIAGPOT-IRXDYDNUSA-N 1 0 344.415 3.211 20 5 EGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]Cc2ccc(F)c(F)c2)n1 ZINC000447544495 309981665 /nfs/dbraw/zinc/98/16/65/309981665.db2.gz VSFJODHRVGIBOG-LSDHHAIUSA-N 1 0 336.342 3.343 20 5 EGBDRO Cc1c(C[NH2+][C@H]2CCC[C@H](c3ccnn3C)C2)cccc1[N+](=O)[O-] ZINC000448024833 309996510 /nfs/dbraw/zinc/99/65/10/309996510.db2.gz AXYCUTDSKKVUGX-HOCLYGCPSA-N 1 0 328.416 3.453 20 5 EGBDRO CC(=O)Nc1ccc(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000449069195 310034555 /nfs/dbraw/zinc/03/45/55/310034555.db2.gz FJUGLZVTYRZDSW-ZDUSSCGKSA-N 1 0 327.384 3.274 20 5 EGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCNC(=O)CC1CCCCC1 ZINC000449143899 310040071 /nfs/dbraw/zinc/04/00/71/310040071.db2.gz YDFZNFADWGGPHS-OAHLLOKOSA-N 1 0 347.459 3.202 20 5 EGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CO)c1c(F)cccc1F ZINC000449144241 310040249 /nfs/dbraw/zinc/04/02/49/310040249.db2.gz SEJOAJJLXGJHON-NHYWBVRUSA-N 1 0 336.338 3.127 20 5 EGBDRO CC(C)n1ncc2c1C[C@@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])CC2 ZINC000449279886 310049548 /nfs/dbraw/zinc/04/95/48/310049548.db2.gz UIBGLAKCSIUBIV-YOEHRIQHSA-N 1 0 342.443 3.450 20 5 EGBDRO CC[C@@H](COCC(F)(F)F)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449381850 310057781 /nfs/dbraw/zinc/05/77/81/310057781.db2.gz TZNWSFFPWDSYET-AAEUAGOBSA-N 1 0 334.338 3.473 20 5 EGBDRO CC[C@H](COCC(F)(F)F)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449381852 310057850 /nfs/dbraw/zinc/05/78/50/310057850.db2.gz TZNWSFFPWDSYET-WCQYABFASA-N 1 0 334.338 3.473 20 5 EGBDRO CO[C@H](C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000449394767 310058352 /nfs/dbraw/zinc/05/83/52/310058352.db2.gz RJXCEMUQNCIDSE-YJBOKZPZSA-N 1 0 328.412 3.373 20 5 EGBDRO CC[C@H](C)[C@@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)OC ZINC000449403773 310059228 /nfs/dbraw/zinc/05/92/28/310059228.db2.gz XOOMWTGHGZKVQP-IINYFYTJSA-N 1 0 332.347 3.347 20 5 EGBDRO NC(=O)c1cccc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000449496870 310066884 /nfs/dbraw/zinc/06/68/84/310066884.db2.gz HWMXZFZMLDFXQF-KRWDZBQOSA-N 1 0 339.395 3.073 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000449588012 310074072 /nfs/dbraw/zinc/07/40/72/310074072.db2.gz KAMZPBOUUHVKKZ-QSOKESPWSA-N 1 0 332.444 3.447 20 5 EGBDRO COc1cccnc1C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000449745640 310083801 /nfs/dbraw/zinc/08/38/01/310083801.db2.gz CQHXDTMZZGMNGH-HOCLYGCPSA-N 1 0 341.411 3.499 20 5 EGBDRO CC[NH+](CC)[C@@H]1CCN(c2c3ccc(OC)cc3ncc2[N+](=O)[O-])C1 ZINC000450363211 310118040 /nfs/dbraw/zinc/11/80/40/310118040.db2.gz ULVSTOUSCJBWQV-CYBMUJFWSA-N 1 0 344.415 3.072 20 5 EGBDRO C[NH+](C)C[C@@H]1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)C1 ZINC000450439455 310122676 /nfs/dbraw/zinc/12/26/76/310122676.db2.gz XOEHOZDHLARTFR-LBPRGKRZSA-N 1 0 332.429 3.106 20 5 EGBDRO C[C@H](c1ccccc1)[C@@H](O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000450483525 310125380 /nfs/dbraw/zinc/12/53/80/310125380.db2.gz IWRWCZMGWZHOTJ-KUHUBIRLSA-N 1 0 326.396 3.118 20 5 EGBDRO O=[N+]([O-])c1cccc2c1ccnc2NCCCCC[NH+]1CCCC1 ZINC000450542866 310129028 /nfs/dbraw/zinc/12/90/28/310129028.db2.gz IMJHAZSKYQMTBU-UHFFFAOYSA-N 1 0 328.416 3.243 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(N2CC[N@H+](Cc3ccccc3)C[C@@H](C)C2)n1 ZINC000450811641 310143658 /nfs/dbraw/zinc/14/36/58/310143658.db2.gz OGSPYKCSAVBZLW-OAHLLOKOSA-N 1 0 340.427 3.257 20 5 EGBDRO O=[N+]([O-])c1ccn(C2CC[NH+](CCc3ccc(Cl)cc3)CC2)n1 ZINC000450884736 310147694 /nfs/dbraw/zinc/14/76/94/310147694.db2.gz STNXZRCFPXVJLZ-UHFFFAOYSA-N 1 0 334.807 3.324 20 5 EGBDRO CCN(C(=O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000451098020 310160314 /nfs/dbraw/zinc/16/03/14/310160314.db2.gz GPRIIDYEAWQIQL-AWEZNQCLSA-N 1 0 333.432 3.427 20 5 EGBDRO CC[C@H]1CCCCN1C(=O)[C@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000451099716 310160562 /nfs/dbraw/zinc/16/05/62/310160562.db2.gz NAHHXZBTQPQHTO-DZKIICNBSA-N 1 0 333.432 3.425 20 5 EGBDRO COc1c(C)cnc(C[N@H+](C)CCOc2cccc([N+](=O)[O-])c2)c1C ZINC000451370500 310174650 /nfs/dbraw/zinc/17/46/50/310174650.db2.gz CASYEFPJRGZYFX-UHFFFAOYSA-N 1 0 345.399 3.126 20 5 EGBDRO CCN(CC1CCC1)C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000451373266 310174794 /nfs/dbraw/zinc/17/47/94/310174794.db2.gz ROBHHORRCFRDPW-UHFFFAOYSA-N 1 0 328.372 3.043 20 5 EGBDRO COc1cc(C[NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)c([N+](=O)[O-])cc1F ZINC000451474835 310180144 /nfs/dbraw/zinc/18/01/44/310180144.db2.gz BMGBXGLVTRGKRT-LYRGGWFBSA-N 1 0 338.379 3.036 20 5 EGBDRO CC(C)O[C@H]1C[C@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1(C)C ZINC000451488590 310180945 /nfs/dbraw/zinc/18/09/45/310180945.db2.gz BBILLZSIQMUFSG-HOTGVXAUSA-N 1 0 349.431 3.105 20 5 EGBDRO CO[C@H]1C[C@@H]([NH2+]CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1(C)C ZINC000451502017 310181469 /nfs/dbraw/zinc/18/14/69/310181469.db2.gz PGEABNSGYJIEPM-CVEARBPZSA-N 1 0 345.399 3.195 20 5 EGBDRO CCO[C@H]1CC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]1C ZINC000451545512 310184744 /nfs/dbraw/zinc/18/47/44/310184744.db2.gz RENIXRKYWUIRQH-DYVFJYSZSA-N 1 0 345.399 3.497 20 5 EGBDRO C[C@H](C(=O)NC(C)(C)C)[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451550809 310185463 /nfs/dbraw/zinc/18/54/63/310185463.db2.gz SBBLFVRRNIYPBO-HIFRSBDPSA-N 1 0 333.432 3.077 20 5 EGBDRO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000451771875 310196652 /nfs/dbraw/zinc/19/66/52/310196652.db2.gz ISXAHUREYHARRK-OLZOCXBDSA-N 1 0 326.780 3.070 20 5 EGBDRO C[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H](CO)CC(C)(C)C ZINC000451785182 310197159 /nfs/dbraw/zinc/19/71/59/310197159.db2.gz FPOOWSCQXOZYAD-INIZCTEOSA-N 1 0 347.415 3.479 20 5 EGBDRO Cc1c([C@@H](C)[NH2+]C[C@@H](O)Cc2cccc(F)c2)cccc1[N+](=O)[O-] ZINC000453229163 310265441 /nfs/dbraw/zinc/26/54/41/310265441.db2.gz CAVXMPKSKSHLPE-CJNGLKHVSA-N 1 0 332.375 3.297 20 5 EGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCOCC2CCCC2)n1 ZINC000453384914 310274182 /nfs/dbraw/zinc/27/41/82/310274182.db2.gz CSPMIRLCRNETMA-JKSUJKDBSA-N 1 0 336.436 3.071 20 5 EGBDRO C[C@@H]1C[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2nccn21 ZINC000454212435 310297351 /nfs/dbraw/zinc/29/73/51/310297351.db2.gz KRAHCPDVHURPAC-PELKAZGASA-N 1 0 335.751 3.272 20 5 EGBDRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000456134484 310389999 /nfs/dbraw/zinc/38/99/99/310389999.db2.gz GRWHUFVQZINQBG-UXLLHSPISA-N 1 0 345.443 3.174 20 5 EGBDRO COc1cc(CNc2ccc(C[NH+](C)C)c(C)c2)c([N+](=O)[O-])cc1O ZINC000459737219 310571869 /nfs/dbraw/zinc/57/18/69/310571869.db2.gz HVNQRTOCBLROJB-UHFFFAOYSA-N 1 0 345.399 3.291 20 5 EGBDRO C[NH+](C)CCSc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000462491842 310600627 /nfs/dbraw/zinc/60/06/27/310600627.db2.gz SHDJHMZHCNTUBI-UHFFFAOYSA-N 1 0 333.413 3.223 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000463950027 310616505 /nfs/dbraw/zinc/61/65/05/310616505.db2.gz MSDPEXJZSPNERC-HNNXBMFYSA-N 1 0 348.447 3.454 20 5 EGBDRO COc1cccc2c1CC[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])C2 ZINC000467990477 310680199 /nfs/dbraw/zinc/68/01/99/310680199.db2.gz MGNCNSNJFKRFAQ-INIZCTEOSA-N 1 0 326.396 3.293 20 5 EGBDRO CC(C)C[NH+]1CCC(Nc2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000473507976 310775976 /nfs/dbraw/zinc/77/59/76/310775976.db2.gz NDLPYCSALYYVRY-UHFFFAOYSA-N 1 0 328.416 3.097 20 5 EGBDRO COC1(C[NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000480696079 310899423 /nfs/dbraw/zinc/89/94/23/310899423.db2.gz SZKYHOCDTVMDAT-AWEZNQCLSA-N 1 0 349.431 3.251 20 5 EGBDRO COCC[N@H+](Cc1cc(OC)c(F)cc1[N+](=O)[O-])[C@H]1CCC[C@H]1C ZINC000487950996 311044455 /nfs/dbraw/zinc/04/44/55/311044455.db2.gz BSHWAELUVTYRJB-DOMZBBRYSA-N 1 0 340.395 3.380 20 5 EGBDRO C[C@@H]1CCCC[C@H]1NC(=O)CN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000490197544 311135442 /nfs/dbraw/zinc/13/54/42/311135442.db2.gz BLVJNWLOEACINP-RDTXWAMCSA-N 1 0 345.443 3.254 20 5 EGBDRO C[NH+](C)Cc1cccc(NC(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])c1 ZINC000491291151 311172060 /nfs/dbraw/zinc/17/20/60/311172060.db2.gz MFPDQJANQUSVTO-CLFYSBASSA-N 1 0 343.358 3.447 20 5 EGBDRO CC(C)[N@H+](C)CC1CCN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000491318944 311173295 /nfs/dbraw/zinc/17/32/95/311173295.db2.gz HAYDLTPTLMDASO-HJWRWDBZSA-N 1 0 345.443 3.187 20 5 EGBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000495432129 311563175 /nfs/dbraw/zinc/56/31/75/311563175.db2.gz HADTVYCZLWTOLS-SWLSCSKDSA-N 1 0 349.431 3.248 20 5 EGBDRO COC(=O)N1CCC[C@H]([C@@H](C)[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000495509972 311571631 /nfs/dbraw/zinc/57/16/31/311571631.db2.gz FSIPMSVRBRJNRC-ZTHSPGPESA-N 1 0 347.415 3.065 20 5 EGBDRO COC(=O)N1CCC(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000495755434 311606720 /nfs/dbraw/zinc/60/67/20/311606720.db2.gz VPUILTVELFGGIF-CYBMUJFWSA-N 1 0 335.404 3.032 20 5 EGBDRO COCCN(CCc1ccccc1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000505778250 312034059 /nfs/dbraw/zinc/03/40/59/312034059.db2.gz SZYKMYKEECZESY-UHFFFAOYSA-N 1 0 332.375 3.425 20 5 EGBDRO O=[N+]([O-])c1cccc(F)c1CN1CC[NH+](CC2CCCCC2)CC1 ZINC000505784482 312034249 /nfs/dbraw/zinc/03/42/49/312034249.db2.gz QFWMXXFWNBJEQS-UHFFFAOYSA-N 1 0 335.423 3.432 20 5 EGBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)[C@@H]1CCc2ccccc2C1 ZINC000512318423 312182598 /nfs/dbraw/zinc/18/25/98/312182598.db2.gz OZWHXIIUKWNAAZ-QGZVFWFLSA-N 1 0 326.396 3.463 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCO[C@@H](c2ccnn2C)C1 ZINC000514712386 312240212 /nfs/dbraw/zinc/24/02/12/312240212.db2.gz YXLZBIQCBNOHNB-PMUMKWKESA-N 1 0 344.415 3.208 20 5 EGBDRO C[C@@H](C(=O)NC[C@H](c1cccs1)[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000514770844 312244306 /nfs/dbraw/zinc/24/43/06/312244306.db2.gz RAMHVLYNTXWNHC-IUODEOHRSA-N 1 0 347.440 3.179 20 5 EGBDRO CC[NH+](CC)[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(C)C ZINC000514980893 312258190 /nfs/dbraw/zinc/25/81/90/312258190.db2.gz MHHMHLVNBSRMMZ-INIZCTEOSA-N 1 0 336.436 3.473 20 5 EGBDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000517560442 312383600 /nfs/dbraw/zinc/38/36/00/312383600.db2.gz YNUTUWJWHCLLQV-OKILXGFUSA-N 1 0 348.447 3.473 20 5 EGBDRO COc1ccc(OCC[NH+]2CCc3ccccc3CC2)c([N+](=O)[O-])c1 ZINC000524756142 312677135 /nfs/dbraw/zinc/67/71/35/312677135.db2.gz KDUBKWOMILWQIB-UHFFFAOYSA-N 1 0 342.395 3.083 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(NC[C@H](c2ccc(F)cc2)[NH+](C)C)c1 ZINC000525193412 312703476 /nfs/dbraw/zinc/70/34/76/312703476.db2.gz NVEADXQVGQDNRB-QGZVFWFLSA-N 1 0 333.363 3.457 20 5 EGBDRO COCC1([NH2+]Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)CC1 ZINC000532209324 313768780 /nfs/dbraw/zinc/76/87/80/313768780.db2.gz STMOSCQVMVNCLE-UHFFFAOYSA-N 1 0 332.356 3.132 20 5 EGBDRO COc1cc(NC[C@@H](Cc2ccccc2)[NH+](C)C)c(F)cc1[N+](=O)[O-] ZINC000534917523 314006551 /nfs/dbraw/zinc/00/65/51/314006551.db2.gz WAZWLUQUKURRHX-CQSZACIVSA-N 1 0 347.390 3.327 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@@H](CO)Cc1ccc(F)cc1 ZINC000537273526 314171592 /nfs/dbraw/zinc/17/15/92/314171592.db2.gz NBGSXFRGFOEWTO-IMMZDGJCSA-N 1 0 344.386 3.188 20 5 EGBDRO CC(C)[C@@H]1C[C@@H]([NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000537935571 314217447 /nfs/dbraw/zinc/21/74/47/314217447.db2.gz WENZSIFEYHRPFB-KMFMINBZSA-N 1 0 349.431 3.105 20 5 EGBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC12CCC(CC1)C2 ZINC000539051433 314293259 /nfs/dbraw/zinc/29/32/59/314293259.db2.gz ITNJMJAPYVGMLJ-WRSVWVKZSA-N 1 0 331.416 3.482 20 5 EGBDRO Cc1cc(N[C@H]2CCO[C@H](C(C)C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000542121000 314518860 /nfs/dbraw/zinc/51/88/60/314518860.db2.gz JOWQOBFNWBBTDG-UGSOOPFHSA-N 1 0 329.400 3.489 20 5 EGBDRO CC(C)n1cc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cn1 ZINC000542573324 314559468 /nfs/dbraw/zinc/55/94/68/314559468.db2.gz HJKKJDQHIRVADY-CHWSQXEVSA-N 1 0 345.403 3.050 20 5 EGBDRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000549934139 315111399 /nfs/dbraw/zinc/11/13/99/315111399.db2.gz XYOLQQFJRFGUDD-NXEZZACHSA-N 1 0 348.321 3.291 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC(C)(C)[C@H]2CCC[C@H]21 ZINC000550079880 315115349 /nfs/dbraw/zinc/11/53/49/315115349.db2.gz SQLZGGDBLPUNJE-GOEBONIOSA-N 1 0 331.416 3.352 20 5 EGBDRO CC[C@H]1C[N@H+](C)CCN1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000552138016 315201237 /nfs/dbraw/zinc/20/12/37/315201237.db2.gz YKEKRHCRJPQAHG-HNNXBMFYSA-N 1 0 346.456 3.244 20 5 EGBDRO C[C@H](NC(=O)c1ccc(CC[NH+](C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000553004180 315241303 /nfs/dbraw/zinc/24/13/03/315241303.db2.gz MZMXDVLJFVPBIH-AWEZNQCLSA-N 1 0 341.411 3.190 20 5 EGBDRO CCCN(CC[NH+]1CCCCC1)C(=O)c1ccc(CC)c([N+](=O)[O-])c1 ZINC000553150753 315247892 /nfs/dbraw/zinc/24/78/92/315247892.db2.gz CUCBSNBTFDDTOU-UHFFFAOYSA-N 1 0 347.459 3.495 20 5 EGBDRO COc1ccc(CNC2CC[NH+](C3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC000553877720 315286554 /nfs/dbraw/zinc/28/65/54/315286554.db2.gz QNZIDXBFEAJVOX-UHFFFAOYSA-N 1 0 347.459 3.490 20 5 EGBDRO Cc1ccccc1C[C@@H](C)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000554527576 315328006 /nfs/dbraw/zinc/32/80/06/315328006.db2.gz YORRYNVHGPMMAE-OAHLLOKOSA-N 1 0 341.411 3.453 20 5 EGBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000562106542 315800523 /nfs/dbraw/zinc/80/05/23/315800523.db2.gz GJGFAFGQNRUKCI-QLFBSQMISA-N 1 0 336.432 3.443 20 5 EGBDRO COc1cccc(COCC[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000563419762 316018626 /nfs/dbraw/zinc/01/86/26/316018626.db2.gz YXBBYBFUYYSGEZ-GOSISDBHSA-N 1 0 342.395 3.397 20 5 EGBDRO CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000564239357 316127681 /nfs/dbraw/zinc/12/76/81/316127681.db2.gz RJRJGUBRPBQKGW-AWEZNQCLSA-N 1 0 339.823 3.195 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CN(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000564313561 316134729 /nfs/dbraw/zinc/13/47/29/316134729.db2.gz YPZYZVXGJKYFNL-APEZIOSESA-N 1 0 347.459 3.041 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+]C[C@@H](CO)C2CC2)c2ccccc2)c1 ZINC000569534601 316926869 /nfs/dbraw/zinc/92/68/69/316926869.db2.gz LUIVUWFGCYIXRO-HKUYNNGSSA-N 1 0 326.396 3.292 20 5 EGBDRO CCN(CC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])CCC(F)(F)F ZINC000570816103 317112412 /nfs/dbraw/zinc/11/24/12/317112412.db2.gz KTDNDNXLQZUOJT-CQSZACIVSA-N 1 0 345.365 3.446 20 5 EGBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C1CC(C(F)(F)F)C1 ZINC000571413281 317196792 /nfs/dbraw/zinc/19/67/92/317196792.db2.gz NFBLIDRASZIFDB-BMQDGWLCSA-N 1 0 345.321 3.242 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCC[C@@H](N2CCCC2=O)C1 ZINC000572059899 317285036 /nfs/dbraw/zinc/28/50/36/317285036.db2.gz KTQMGPBXZBSGBC-HRCADAONSA-N 1 0 345.443 3.487 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@H](CO)C2CCCC2)o1 ZINC000574369381 317590128 /nfs/dbraw/zinc/59/01/28/317590128.db2.gz HMMSHKQQRQBFIM-INIZCTEOSA-N 1 0 330.384 3.496 20 5 EGBDRO Cc1cnc([C@H](C)[NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)s1 ZINC000184995117 323684301 /nfs/dbraw/zinc/68/43/01/323684301.db2.gz BTMVWXISFKUTHX-NSHDSACASA-N 1 0 334.401 3.039 20 5 EGBDRO COc1ccc(-c2ccc(C[NH2+]CCCCCO)o2)c([N+](=O)[O-])c1 ZINC000576475247 324622496 /nfs/dbraw/zinc/62/24/96/324622496.db2.gz VUHNMPMXSRGXOZ-UHFFFAOYSA-N 1 0 334.372 3.116 20 5 EGBDRO C[C@](CO)(C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])Cc1ccccc1 ZINC000581143182 325335143 /nfs/dbraw/zinc/33/51/43/325335143.db2.gz UMAFQHOUQUAIPN-AZUAARDMSA-N 1 0 340.423 3.413 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCO[C@@]3(CCOC3)C1)CCCC2 ZINC000581477819 325364857 /nfs/dbraw/zinc/36/48/57/325364857.db2.gz DIROHYLKJUIMEP-LZQZEXGQSA-N 1 0 346.427 3.290 20 5 EGBDRO CNc1ccc(C(=O)Nc2ccc(C[NH+](C)C)c(C)c2)cc1[N+](=O)[O-] ZINC000583068938 325492546 /nfs/dbraw/zinc/49/25/46/325492546.db2.gz NLLZVXQCZJGSDD-UHFFFAOYSA-N 1 0 342.399 3.259 20 5 EGBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000583442017 325524656 /nfs/dbraw/zinc/52/46/56/325524656.db2.gz PEUDKOCTVMPMJP-STQMWFEESA-N 1 0 343.383 3.243 20 5 EGBDRO CCN(CCC[N@H+](C)Cc1ccccc1[N+](=O)[O-])CC(F)(F)F ZINC000354820117 457320894 /nfs/dbraw/zinc/32/08/94/457320894.db2.gz PLDAVVFFNGHTTL-UHFFFAOYSA-N 1 0 333.354 3.301 20 5 EGBDRO O=[N+]([O-])c1cnn(CC[N@H+](C2CC2)[C@H]2CCCc3ccccc32)c1 ZINC000157772919 455230015 /nfs/dbraw/zinc/23/00/15/455230015.db2.gz SRDMDAPGGGFKSJ-SFHVURJKSA-N 1 0 326.400 3.333 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@@H]3CCCOC3)cs2)c1 ZINC000237996398 455242435 /nfs/dbraw/zinc/24/24/35/455242435.db2.gz FFXMUHWLTUNRJT-LBPRGKRZSA-N 1 0 333.413 3.235 20 5 EGBDRO CN1CCN(C)[C@H](C[NH2+]Cc2c3ccccc3cc3ccccc32)C1 ZINC000264732836 455272506 /nfs/dbraw/zinc/27/25/06/455272506.db2.gz HWUABXCOLYGYPQ-LJQANCHMSA-N 1 0 333.479 3.328 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@H](Oc3cccc(F)c3)C2)cc1 ZINC000612174568 460561406 /nfs/dbraw/zinc/56/14/06/460561406.db2.gz IBRMZWFAJOHQMY-SFHVURJKSA-N 1 0 330.359 3.430 20 5 EGBDRO Cc1ccccc1[C@@H]1C[C@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000600760414 460593458 /nfs/dbraw/zinc/59/34/58/460593458.db2.gz SVBIMHJPPCRWSU-DOTOQJQBSA-N 1 0 339.395 3.378 20 5 EGBDRO COc1ccc(NC(=O)C[N@H+](C)[C@@H]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000026468298 453800644 /nfs/dbraw/zinc/80/06/44/453800644.db2.gz NOZQAGBZMBJIOP-CHWSQXEVSA-N 1 0 335.404 3.052 20 5 EGBDRO C[N@H+](CCCNc1nc2sccn2c1[N+](=O)[O-])C1CCCCC1 ZINC000029526835 453829591 /nfs/dbraw/zinc/82/95/91/453829591.db2.gz VPAZDUMXKSZPSV-UHFFFAOYSA-N 1 0 337.449 3.371 20 5 EGBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000054222996 453916899 /nfs/dbraw/zinc/91/68/99/453916899.db2.gz XXTHYOWPUVVNDI-DOMZBBRYSA-N 1 0 345.424 3.222 20 5 EGBDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000054260441 453919828 /nfs/dbraw/zinc/91/98/28/453919828.db2.gz KVFNKHNAGMCYCM-ZIAGYGMSSA-N 1 0 333.432 3.081 20 5 EGBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000055405402 453981975 /nfs/dbraw/zinc/98/19/75/453981975.db2.gz VPOIISNMCDCCAI-NWDGAFQWSA-N 1 0 339.823 3.098 20 5 EGBDRO Cc1nn(C)c(NCc2ccc(C[NH+]3CCCCC3)cc2)c1[N+](=O)[O-] ZINC000076546473 454013975 /nfs/dbraw/zinc/01/39/75/454013975.db2.gz BSCZEERBRXLOQQ-UHFFFAOYSA-N 1 0 343.431 3.235 20 5 EGBDRO CC[NH+](CC)[C@H]1CCN(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000085637892 454035542 /nfs/dbraw/zinc/03/55/42/454035542.db2.gz YFNBFVQMKFPWTJ-AWEZNQCLSA-N 1 0 334.420 3.160 20 5 EGBDRO Cc1ccc(NC(=O)NCc2cccc(C[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000043147475 454044583 /nfs/dbraw/zinc/04/45/83/454044583.db2.gz ZQFZZWCEGVISPJ-UHFFFAOYSA-N 1 0 342.399 3.287 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000043149779 454045508 /nfs/dbraw/zinc/04/55/08/454045508.db2.gz RGZKYOFUCHKQCC-CQSZACIVSA-N 1 0 348.428 3.389 20 5 EGBDRO Cc1c(NC(=O)NC[C@H](c2ccsc2)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000043347024 454057740 /nfs/dbraw/zinc/05/77/40/454057740.db2.gz POEZMJPXDNBBBK-OAHLLOKOSA-N 1 0 348.428 3.389 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](C)CC1 ZINC000068838147 454059025 /nfs/dbraw/zinc/05/90/25/454059025.db2.gz DUKPCAJCNGHQMU-STQMWFEESA-N 1 0 335.404 3.052 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000056520226 454064273 /nfs/dbraw/zinc/06/42/73/454064273.db2.gz MGLITSRLVFSGSK-GXTWGEPZSA-N 1 0 334.420 3.145 20 5 EGBDRO C[NH+](C)CC(C)(C)CNc1ccc([N+](=O)[O-])cc1Br ZINC000043596434 454069494 /nfs/dbraw/zinc/06/94/94/454069494.db2.gz JZCQNONHJLKSNW-UHFFFAOYSA-N 1 0 330.226 3.357 20 5 EGBDRO C[C@@H](C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C[C@H](C)O ZINC000077428757 454105213 /nfs/dbraw/zinc/10/52/13/454105213.db2.gz WIWOHAHQUHFSEU-NEPJUHHUSA-N 1 0 335.429 3.215 20 5 EGBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000058269180 454176810 /nfs/dbraw/zinc/17/68/10/454176810.db2.gz MGMDOJUYEKKCAA-RMKNXTFCSA-N 1 0 343.427 3.085 20 5 EGBDRO Cc1cccc(C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)c1[N+](=O)[O-] ZINC000045775035 454180262 /nfs/dbraw/zinc/18/02/62/454180262.db2.gz ATUVWJUFZUKPCS-MRXNPFEDSA-N 1 0 333.432 3.144 20 5 EGBDRO Cc1cnc(N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)c([N+](=O)[O-])c1 ZINC000266186046 455424899 /nfs/dbraw/zinc/42/48/99/455424899.db2.gz DZUGUEWVUDDJFY-CVEARBPZSA-N 1 0 332.448 3.389 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000045951592 454200348 /nfs/dbraw/zinc/20/03/48/454200348.db2.gz BFHRVKZYOPYPAU-UONOGXRCSA-N 1 0 334.420 3.288 20 5 EGBDRO COc1cccc([C@H](CNc2ccc([N+](=O)[O-])cc2F)[NH+](C)C)c1 ZINC000046072854 454214381 /nfs/dbraw/zinc/21/43/81/454214381.db2.gz PLYHHMNMSSALMC-KRWDZBQOSA-N 1 0 333.363 3.457 20 5 EGBDRO C[C@@H]1CCC[N@H+](CCNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000046381678 454247940 /nfs/dbraw/zinc/24/79/40/454247940.db2.gz DNMYVJPITHOPGC-LLVKDONJSA-N 1 0 340.811 3.102 20 5 EGBDRO CC[C@H]([NH2+][C@@H](C)C(=O)N1CCC(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000090068723 454271204 /nfs/dbraw/zinc/27/12/04/454271204.db2.gz UKNJSONUDYEWPX-YOEHRIQHSA-N 1 0 333.432 3.283 20 5 EGBDRO C[N@@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C1 ZINC000090092119 454278001 /nfs/dbraw/zinc/27/80/01/454278001.db2.gz SFQWBNWDKPZHET-AWEZNQCLSA-N 1 0 326.400 3.411 20 5 EGBDRO CCC[NH+]1CCC(N(C)C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000060404238 454285469 /nfs/dbraw/zinc/28/54/69/454285469.db2.gz YQJMBHMUOSAUCM-UHFFFAOYSA-N 1 0 344.415 3.023 20 5 EGBDRO COc1ccccc1[C@@H](CNc1ncc(C)cc1[N+](=O)[O-])[NH+](C)C ZINC000078625588 454288120 /nfs/dbraw/zinc/28/81/20/454288120.db2.gz OISLAMQXEZGRGT-OAHLLOKOSA-N 1 0 330.388 3.022 20 5 EGBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CC(=O)N(C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000090177972 454289692 /nfs/dbraw/zinc/28/96/92/454289692.db2.gz CGXKRSSOLJNMQN-GXTWGEPZSA-N 1 0 349.431 3.044 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(C3CCCCC3)C2=O)cc1[N+](=O)[O-] ZINC000090464009 454308824 /nfs/dbraw/zinc/30/88/24/454308824.db2.gz CXYZDLMRZJQOJH-WMLDXEAASA-N 1 0 345.443 3.487 20 5 EGBDRO C[C@H](NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000090523380 454315705 /nfs/dbraw/zinc/31/57/05/454315705.db2.gz VITCAPWANQBMSX-JVPBZIDWSA-N 1 0 347.459 3.013 20 5 EGBDRO CCC(CC)(C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])C(=O)OC ZINC000120896702 454361771 /nfs/dbraw/zinc/36/17/71/454361771.db2.gz CQYGJRYYGGCBCP-UHFFFAOYSA-N 1 0 328.796 3.317 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000063272050 454401288 /nfs/dbraw/zinc/40/12/88/454401288.db2.gz UESGLAMQQZULMA-UHFFFAOYSA-N 1 0 345.443 3.288 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H](C)CC1 ZINC000063309334 454404637 /nfs/dbraw/zinc/40/46/37/454404637.db2.gz JYVOQOQCUNBKNG-ZDUSSCGKSA-N 1 0 335.404 3.054 20 5 EGBDRO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](C)CC2)c([N+](=O)[O-])c1 ZINC000063308530 454405027 /nfs/dbraw/zinc/40/50/27/454405027.db2.gz VPOOKWLBELCGFL-CHWSQXEVSA-N 1 0 335.404 3.052 20 5 EGBDRO CC(C)[NH+]1CCC(N(C)C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000073841438 454490573 /nfs/dbraw/zinc/49/05/73/454490573.db2.gz UXPKOMCZNUSVOP-UHFFFAOYSA-N 1 0 339.823 3.193 20 5 EGBDRO COc1ccc(-c2ccc(CNCC[N@H+](C)C(C)C)o2)c([N+](=O)[O-])c1 ZINC000102426644 454504809 /nfs/dbraw/zinc/50/48/09/454504809.db2.gz XXWCPDQQYPEOBM-UHFFFAOYSA-N 1 0 347.415 3.293 20 5 EGBDRO CC(C)CC[NH+]1CCC(CNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000079996302 454513668 /nfs/dbraw/zinc/51/36/68/454513668.db2.gz YTMKMCIHZSSWIM-UHFFFAOYSA-N 1 0 333.432 3.083 20 5 EGBDRO Cc1cc(C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000122480855 454537313 /nfs/dbraw/zinc/53/73/13/454537313.db2.gz SGJNAISDRLLSLQ-HNNXBMFYSA-N 1 0 333.432 3.288 20 5 EGBDRO C[NH+](C)CCC1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000134934590 454612725 /nfs/dbraw/zinc/61/27/25/454612725.db2.gz JQNQEBGHXUBDNV-UHFFFAOYSA-N 1 0 339.823 3.052 20 5 EGBDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)c1ncccc1[N+](=O)[O-] ZINC000092696020 454612990 /nfs/dbraw/zinc/61/29/90/454612990.db2.gz LMUZCGSDFVDRIT-UHFFFAOYSA-N 1 0 341.415 3.128 20 5 EGBDRO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000092730688 454617717 /nfs/dbraw/zinc/61/77/17/454617717.db2.gz OGVNOEVOAWXODF-RDJZCZTQSA-N 1 0 347.459 3.420 20 5 EGBDRO COc1ccc(C[N@H+](CCn2ccc([N+](=O)[O-])n2)[C@H](C)C2CC2)cc1 ZINC000176216176 454713531 /nfs/dbraw/zinc/71/35/31/454713531.db2.gz PSPHMZGGUBKESW-CQSZACIVSA-N 1 0 344.415 3.101 20 5 EGBDRO C[C@@]1(C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCCO1 ZINC000152880930 454736496 /nfs/dbraw/zinc/73/64/96/454736496.db2.gz IQZBMGPAZDPFQP-INIZCTEOSA-N 1 0 333.413 3.377 20 5 EGBDRO Cc1cccc(C(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)c1[N+](=O)[O-] ZINC000124505091 454742067 /nfs/dbraw/zinc/74/20/67/454742067.db2.gz JRTGRJKLVMKNCG-HNNXBMFYSA-N 1 0 333.432 3.001 20 5 EGBDRO COc1cc(C[NH+]2C[C@@H]3CCC[C@H]3C2)c([N+](=O)[O-])cc1OC(F)F ZINC000153174929 454767251 /nfs/dbraw/zinc/76/72/51/454767251.db2.gz DDBFMVOTQGFEOV-QWRGUYRKSA-N 1 0 342.342 3.437 20 5 EGBDRO C[C@H]1CCCC[C@@H]1[NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000162328158 454767465 /nfs/dbraw/zinc/76/74/65/454767465.db2.gz YFGUYMAZEVNUNR-JSGCOSHPSA-N 1 0 333.388 3.061 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000162638241 454789653 /nfs/dbraw/zinc/78/96/53/454789653.db2.gz PDAWFXPIRVAIPQ-AWEZNQCLSA-N 1 0 334.420 3.289 20 5 EGBDRO CCc1cc(NCC[N@H+](C)C2CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000138707204 454796267 /nfs/dbraw/zinc/79/62/67/454796267.db2.gz RPTMSYBZFQDIQU-UHFFFAOYSA-N 1 0 341.415 3.120 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000163130774 454825469 /nfs/dbraw/zinc/82/54/69/454825469.db2.gz HZIDWKOSLLAXJH-UHFFFAOYSA-N 1 0 334.420 3.241 20 5 EGBDRO CC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000163269205 454835769 /nfs/dbraw/zinc/83/57/69/454835769.db2.gz DTBLGGKEVADNDL-CZUORRHYSA-N 1 0 331.416 3.042 20 5 EGBDRO C[C@@H]1CN(CCOc2ccccc2[N+](=O)[O-])C[C@@H](c2ccsc2)O1 ZINC000246289391 455465338 /nfs/dbraw/zinc/46/53/38/455465338.db2.gz BIQRIWJBWYELDN-DYVFJYSZSA-N 1 0 348.424 3.497 20 5 EGBDRO C[NH+](C)C1(CNc2ncc(Br)cc2[N+](=O)[O-])CCCC1 ZINC000125645472 454836864 /nfs/dbraw/zinc/83/68/64/454836864.db2.gz UEMVBXZXOSHWHB-UHFFFAOYSA-N 1 0 343.225 3.039 20 5 EGBDRO Cc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])o2)[NH+]2CCCC2)cc1 ZINC000143263750 454842107 /nfs/dbraw/zinc/84/21/07/454842107.db2.gz ZRECIEZPMLUHEK-HNNXBMFYSA-N 1 0 343.383 3.063 20 5 EGBDRO CCCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000144760932 454850289 /nfs/dbraw/zinc/85/02/89/454850289.db2.gz MISMKMAVYPCVOG-HOCLYGCPSA-N 1 0 333.432 3.112 20 5 EGBDRO C[C@@H](C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)[C@H]([NH3+])c1ccccc1 ZINC000163554152 454855011 /nfs/dbraw/zinc/85/50/11/454855011.db2.gz XPBFZXHHURJIQB-IGCXYCKISA-N 1 0 327.384 3.108 20 5 EGBDRO C[C@H](NC(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000163553950 454855066 /nfs/dbraw/zinc/85/50/66/454855066.db2.gz XPBFZXHHURJIQB-DCGLDWPTSA-N 1 0 327.384 3.108 20 5 EGBDRO CSCC[C@H](C)[N@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000126273218 454882461 /nfs/dbraw/zinc/88/24/61/454882461.db2.gz SXGBWXGSKMBTNH-NSHDSACASA-N 1 0 336.417 3.218 20 5 EGBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000177643292 454887568 /nfs/dbraw/zinc/88/75/68/454887568.db2.gz PQKARZKYYLXBCJ-LBPRGKRZSA-N 1 0 339.823 3.052 20 5 EGBDRO C[C@@H]1CCC[C@H](C)CN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000150780260 454891325 /nfs/dbraw/zinc/89/13/25/454891325.db2.gz IVOVQEBODNCZRL-UONOGXRCSA-N 1 0 342.399 3.431 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150829877 454899072 /nfs/dbraw/zinc/89/90/72/454899072.db2.gz NUWMBGFZZKMHOX-INIZCTEOSA-N 1 0 347.459 3.300 20 5 EGBDRO CC1(C)CCC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1 ZINC000127038745 454934190 /nfs/dbraw/zinc/93/41/90/454934190.db2.gz DKGSRZWCVIJRNI-UHFFFAOYSA-N 1 0 347.415 3.405 20 5 EGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@H]1CCO[C@@]2(CCSC2)C1 ZINC000151391854 454978785 /nfs/dbraw/zinc/97/87/85/454978785.db2.gz TVMQWSBJQQOWCP-ZFWWWQNUSA-N 1 0 342.848 3.393 20 5 EGBDRO CC[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)Cc1ccoc1 ZINC000117338261 455083502 /nfs/dbraw/zinc/08/35/02/455083502.db2.gz QRYQWMFWFUZQDE-UHFFFAOYSA-N 1 0 345.355 3.008 20 5 EGBDRO COc1ccc(C[N@@H+]2CCC[C@@H](c3nccs3)C2)cc1[N+](=O)[O-] ZINC000156989373 455160084 /nfs/dbraw/zinc/16/00/84/455160084.db2.gz WVLCBSXVBUXTKR-CYBMUJFWSA-N 1 0 333.413 3.440 20 5 EGBDRO C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC1(c2ccccc2)CC1 ZINC000189318374 455176324 /nfs/dbraw/zinc/17/63/24/455176324.db2.gz UVHIRXZBEOJUFY-GOSISDBHSA-N 1 0 326.396 3.292 20 5 EGBDRO COc1ccc(OCC[N@H+](C)[C@H](C)CCSC)c([N+](=O)[O-])c1 ZINC000173482293 455290727 /nfs/dbraw/zinc/29/07/27/455290727.db2.gz KKLFZQIATLULQW-GFCCVEGCSA-N 1 0 328.434 3.056 20 5 EGBDRO CSCC[C@H](C)[N@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000173483040 455290846 /nfs/dbraw/zinc/29/08/46/455290846.db2.gz XZXKOBCWGBPVQA-NSHDSACASA-N 1 0 336.417 3.218 20 5 EGBDRO CCOc1ccc([C@H]2CCC[N@@H+]2CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000157456039 455196029 /nfs/dbraw/zinc/19/60/29/455196029.db2.gz LZOQQXICARZQEE-QGZVFWFLSA-N 1 0 330.388 3.027 20 5 EGBDRO COc1ccc(OCC[N@H+](C)Cc2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000173490595 455292055 /nfs/dbraw/zinc/29/20/55/455292055.db2.gz BFTJECMTHZKOCJ-UHFFFAOYSA-N 1 0 334.347 3.253 20 5 EGBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000190086559 455278709 /nfs/dbraw/zinc/27/87/09/455278709.db2.gz PCZSEWLPRBERBB-HNNXBMFYSA-N 1 0 347.459 3.426 20 5 EGBDRO CCCC[NH+]1CCC(NC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000158543255 455311941 /nfs/dbraw/zinc/31/19/41/455311941.db2.gz AIMYLBHTBATKRW-UHFFFAOYSA-N 1 0 334.420 3.289 20 5 EGBDRO O=[N+]([O-])c1ccc(C[N@@H+](C[C@@H](O)c2ccc(F)cc2)C2CC2)cc1 ZINC000265442935 455325269 /nfs/dbraw/zinc/32/52/69/455325269.db2.gz QQZWYOSOCONHDA-GOSISDBHSA-N 1 0 330.359 3.432 20 5 EGBDRO O=[N+]([O-])c1ccccc1Sc1nnc(C2CC[NH2+]CC2)n1C1CC1 ZINC000265443762 455325484 /nfs/dbraw/zinc/32/54/84/455325484.db2.gz IXQAOWPPILIDGR-UHFFFAOYSA-N 1 0 345.428 3.139 20 5 EGBDRO COc1cc(C[N@@H+]2CC[C@H](C)[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000245882061 455391661 /nfs/dbraw/zinc/39/16/61/455391661.db2.gz BESCBFXTBWHFRN-QWRGUYRKSA-N 1 0 344.358 3.478 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@](C)(O)c1ccsc1 ZINC000265905259 455403112 /nfs/dbraw/zinc/40/31/12/455403112.db2.gz WJHKLWHQFHIHHQ-INIZCTEOSA-N 1 0 336.413 3.052 20 5 EGBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000184699653 455431282 /nfs/dbraw/zinc/43/12/82/455431282.db2.gz NYNIMGFQIVRJON-WBVHZDCISA-N 1 0 347.459 3.012 20 5 EGBDRO C[C@@H]([NH2+][C@H]1CCN(Cc2ccccc2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000266921162 455475968 /nfs/dbraw/zinc/47/59/68/455475968.db2.gz YQEPIVNMDNZGCU-KDOFPFPSSA-N 1 0 339.395 3.047 20 5 EGBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000246399090 455482849 /nfs/dbraw/zinc/48/28/49/455482849.db2.gz RKGLCBWIKRQKMT-HUUCEWRRSA-N 1 0 348.447 3.029 20 5 EGBDRO CC(C)OCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000267006725 455491361 /nfs/dbraw/zinc/49/13/61/455491361.db2.gz FIHZGEHLVWGHES-UHFFFAOYSA-N 1 0 325.384 3.035 20 5 EGBDRO CCS(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000182336221 455491760 /nfs/dbraw/zinc/49/17/60/455491760.db2.gz DDPXBNOKCGFDHP-ZDUSSCGKSA-N 1 0 348.424 3.239 20 5 EGBDRO CCOCCC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000246941149 455537365 /nfs/dbraw/zinc/53/73/65/455537365.db2.gz XMUVFZPUCOEKEC-XJKSGUPXSA-N 1 0 339.411 3.283 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1CN[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185674823 455593646 /nfs/dbraw/zinc/59/36/46/455593646.db2.gz JRAODSGCPIJFKM-HUUCEWRRSA-N 1 0 347.459 3.346 20 5 EGBDRO C[C@H](NCc1c(F)cccc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185738035 455610660 /nfs/dbraw/zinc/61/06/60/455610660.db2.gz BXLABLSQRYHUNK-UONOGXRCSA-N 1 0 335.423 3.477 20 5 EGBDRO CN(C)C(=O)c1cccc(CNC(C)(C)c2ccccc2[N+](=O)[O-])c1 ZINC000292274458 455615347 /nfs/dbraw/zinc/61/53/47/455615347.db2.gz ZXNBTNCBSJWUQX-UHFFFAOYSA-N 1 0 341.411 3.322 20 5 EGBDRO C[C@H]([NH2+]Cc1ccc(Cn2cncn2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000192465005 455623869 /nfs/dbraw/zinc/62/38/69/455623869.db2.gz YWKMQVZTWSBBLW-AWEZNQCLSA-N 1 0 337.383 3.085 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CC2(CO)CCCC2)o1 ZINC000185807360 455624917 /nfs/dbraw/zinc/62/49/17/455624917.db2.gz SDDFGTIOMPVAAD-UHFFFAOYSA-N 1 0 330.384 3.497 20 5 EGBDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ncc([N+](=O)[O-])s1 ZINC000192472575 455626585 /nfs/dbraw/zinc/62/65/85/455626585.db2.gz PJSNUZWUCDBSLH-HNNXBMFYSA-N 1 0 346.456 3.400 20 5 EGBDRO C[NH+](C)[C@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000277665381 455628349 /nfs/dbraw/zinc/62/83/49/455628349.db2.gz OLJQFZLYFOGBLD-NSHDSACASA-N 1 0 340.811 3.196 20 5 EGBDRO C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000271419853 455630320 /nfs/dbraw/zinc/63/03/20/455630320.db2.gz BMEHQXKKBUQFGY-KSSFIOAISA-N 1 0 339.395 3.047 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](CO)Cc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000271497630 455660387 /nfs/dbraw/zinc/66/03/87/455660387.db2.gz LRDLXAXCMDGEEE-CXAGYDPISA-N 1 0 332.375 3.297 20 5 EGBDRO CCn1nc(C)c([N+](=O)[O-])c1NC1CC[NH+](C2CCCCC2)CC1 ZINC000192643509 455660401 /nfs/dbraw/zinc/66/04/01/455660401.db2.gz WJILFZMCOBBXQW-UHFFFAOYSA-N 1 0 335.452 3.329 20 5 EGBDRO CC(=O)Nc1ccc(CC[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000284277263 455661602 /nfs/dbraw/zinc/66/16/02/455661602.db2.gz XEHHFQJMQYPGBK-GFCCVEGCSA-N 1 0 342.399 3.029 20 5 EGBDRO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000277814156 455674647 /nfs/dbraw/zinc/67/46/47/455674647.db2.gz KRXGQSUVMDOBBH-CJNGLKHVSA-N 1 0 349.431 3.330 20 5 EGBDRO CC[C@](C)(CCO)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000268510698 455703471 /nfs/dbraw/zinc/70/34/71/455703471.db2.gz CLHQPRYJKDOVMV-MRXNPFEDSA-N 1 0 335.429 3.359 20 5 EGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@](C)(O)c1cccs1 ZINC000268952527 455742490 /nfs/dbraw/zinc/74/24/90/455742490.db2.gz CPJYQYNVCFWTJY-CXAGYDPISA-N 1 0 334.441 3.475 20 5 EGBDRO CCC1(C[NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000269008083 455761079 /nfs/dbraw/zinc/76/10/79/455761079.db2.gz WOLGCDQRYCHBBC-CQSZACIVSA-N 1 0 349.431 3.108 20 5 EGBDRO CC[NH+](CC)C[C@H]1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000278136268 455767671 /nfs/dbraw/zinc/76/76/71/455767671.db2.gz AFJOXRXAXAFENR-LLVKDONJSA-N 1 0 346.353 3.177 20 5 EGBDRO C[C@H](CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)[N@@H+]1CCC[C@H](C)C1 ZINC000249717125 455769570 /nfs/dbraw/zinc/76/95/70/455769570.db2.gz JJRPWEGEHSJJEG-QWHCGFSZSA-N 1 0 346.431 3.012 20 5 EGBDRO C[C@]12CC[N@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C[C@H]1C2(Cl)Cl ZINC000284970993 455770029 /nfs/dbraw/zinc/77/00/29/455770029.db2.gz XPXKZUUSVSNSJM-MJBXVCDLSA-N 1 0 345.226 3.144 20 5 EGBDRO CCC[N@H+](C)C[C@@H]1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000278198855 455784668 /nfs/dbraw/zinc/78/46/68/455784668.db2.gz DXWICYZBQQSICI-NSHDSACASA-N 1 0 346.353 3.177 20 5 EGBDRO CN(C)c1ccc(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cn1 ZINC000278204544 455785386 /nfs/dbraw/zinc/78/53/86/455785386.db2.gz HBKMVJVULQXSOG-QGZVFWFLSA-N 1 0 326.400 3.223 20 5 EGBDRO [NH3+][C@@H]1CC[C@H](C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000269220196 455814607 /nfs/dbraw/zinc/81/46/07/455814607.db2.gz NCFDDCMFQLUGRX-QWHCGFSZSA-N 1 0 341.367 3.453 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1N1CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C1)CCN2 ZINC000278360202 455828836 /nfs/dbraw/zinc/82/88/36/455828836.db2.gz KGKQOOIKNWXJPS-GUYCJALGSA-N 1 0 342.443 3.016 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000194409186 455839229 /nfs/dbraw/zinc/83/92/29/455839229.db2.gz KMDNCGXHRJPHSP-GASCZTMLSA-N 1 0 347.459 3.391 20 5 EGBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000272146511 455858324 /nfs/dbraw/zinc/85/83/24/455858324.db2.gz FNEASELJXJLAKR-NSHDSACASA-N 1 0 339.823 3.051 20 5 EGBDRO C[C@H](Cn1ccnc1)[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000270047003 455864291 /nfs/dbraw/zinc/86/42/91/455864291.db2.gz UCVBYYKERUZYBF-BFYDXBDKSA-N 1 0 328.416 3.181 20 5 EGBDRO C[C@H](Cn1ccnc1)[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000270047008 455864320 /nfs/dbraw/zinc/86/43/20/455864320.db2.gz UCVBYYKERUZYBF-VYDXJSESSA-N 1 0 328.416 3.181 20 5 EGBDRO Cc1nnc([C@H]2CCC[N@@H+]([C@@H](C)c3cc([N+](=O)[O-])ccc3C)C2)[nH]1 ZINC000272203088 455875712 /nfs/dbraw/zinc/87/57/12/455875712.db2.gz AXXWQXWALAUENP-JSGCOSHPSA-N 1 0 329.404 3.270 20 5 EGBDRO COC(=O)[C@H]1CC12CC[NH+]([C@@H](C)c1cc([N+](=O)[O-])ccc1C)CC2 ZINC000272273803 455897918 /nfs/dbraw/zinc/89/79/18/455897918.db2.gz DOLAUVNRHIGKEI-XJKSGUPXSA-N 1 0 332.400 3.239 20 5 EGBDRO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000272373038 455929859 /nfs/dbraw/zinc/92/98/59/455929859.db2.gz AZEKULIIDQWXPM-DZGCQCFKSA-N 1 0 349.431 3.330 20 5 EGBDRO Cc1cccc(C(=O)Nc2ncc(C3CC[NH2+]CC3)s2)c1[N+](=O)[O-] ZINC000262002380 455983988 /nfs/dbraw/zinc/98/39/88/455983988.db2.gz GJUBTDGTAMPFOU-UHFFFAOYSA-N 1 0 346.412 3.079 20 5 EGBDRO CC(C)c1ccc(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000188055056 455987502 /nfs/dbraw/zinc/98/75/02/455987502.db2.gz CGRUCOPKSBMIOI-RDJZCZTQSA-N 1 0 345.443 3.275 20 5 EGBDRO O=C(c1cc2ccccc2c2cccnc12)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262639310 456049815 /nfs/dbraw/zinc/04/98/15/456049815.db2.gz PMZCZRKPNZBWOI-CVEARBPZSA-N 1 0 331.419 3.355 20 5 EGBDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(NC(C)=O)cc2)cc1[N+](=O)[O-] ZINC000272757862 456062042 /nfs/dbraw/zinc/06/20/42/456062042.db2.gz PKNVVRMRYMHMIW-LBPRGKRZSA-N 1 0 343.383 3.413 20 5 EGBDRO Cc1ccnc(NC2CC[NH+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000301273935 456078387 /nfs/dbraw/zinc/07/83/87/456078387.db2.gz IFWUMLILLAQPBP-UHFFFAOYSA-N 1 0 326.400 3.375 20 5 EGBDRO COCc1cc([N+](=O)[O-])ccc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000301355731 456097857 /nfs/dbraw/zinc/09/78/57/456097857.db2.gz OJWGFHXTZFQXDO-UHFFFAOYSA-N 1 0 341.411 3.063 20 5 EGBDRO C[C@H](NC(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000332636095 456103115 /nfs/dbraw/zinc/10/31/15/456103115.db2.gz YBVNPIAZJZLJAC-ILXRZTDVSA-N 1 0 348.447 3.075 20 5 EGBDRO COC(=O)c1cc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)c[nH]1 ZINC000271080277 456120782 /nfs/dbraw/zinc/12/07/82/456120782.db2.gz QTAUIQZJCPDOKI-UHFFFAOYSA-N 1 0 331.372 3.120 20 5 EGBDRO COc1cc(NC[C@H]2CC[N@H+](CC(C)C)C2)c(F)cc1[N+](=O)[O-] ZINC000271096001 456124072 /nfs/dbraw/zinc/12/40/72/456124072.db2.gz MUFBPMGOFZXGJP-GFCCVEGCSA-N 1 0 325.384 3.132 20 5 EGBDRO Cc1c(C[NH2+]Cc2cncc(Br)c2)cccc1[N+](=O)[O-] ZINC000231884385 456144599 /nfs/dbraw/zinc/14/45/99/456144599.db2.gz MACSXMPFROCSJQ-UHFFFAOYSA-N 1 0 336.189 3.351 20 5 EGBDRO Cc1nc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000297359194 456198235 /nfs/dbraw/zinc/19/82/35/456198235.db2.gz BZAUWNGIKNKJBT-XJKSGUPXSA-N 1 0 341.415 3.016 20 5 EGBDRO CN(c1ccc([N+](=O)[O-])c(-c2ccccc2)n1)[C@H]1CCC[N@H+](C)C1 ZINC000301853345 456232735 /nfs/dbraw/zinc/23/27/35/456232735.db2.gz GYPXOJIWXIUBJT-HNNXBMFYSA-N 1 0 326.400 3.187 20 5 EGBDRO Cc1cc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000302036784 456273013 /nfs/dbraw/zinc/27/30/13/456273013.db2.gz UZKOEWKIPGMAPO-GOEBONIOSA-N 1 0 340.427 3.372 20 5 EGBDRO CN(CC[N@H+](C)C1CC1)C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000275501436 456276062 /nfs/dbraw/zinc/27/60/62/456276062.db2.gz OBGOXOIEXIMRGG-UHFFFAOYSA-N 1 0 349.434 3.260 20 5 EGBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)c1 ZINC000601135282 460724967 /nfs/dbraw/zinc/72/49/67/460724967.db2.gz DYDFERAFQIVLSM-SJORKVTESA-N 1 0 334.322 3.493 20 5 EGBDRO CC(=O)NCC[C@H]1CCC[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000347666307 456291397 /nfs/dbraw/zinc/29/13/97/456291397.db2.gz RYCNZZSXBVMJIH-GDBMZVCRSA-N 1 0 333.432 3.202 20 5 EGBDRO CCn1ccnc1[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000281901950 456354200 /nfs/dbraw/zinc/35/42/00/456354200.db2.gz UGQAGAFHTATTIM-OAHLLOKOSA-N 1 0 346.362 3.318 20 5 EGBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000343055247 456375129 /nfs/dbraw/zinc/37/51/29/456375129.db2.gz SJJQCTBAHSNTJI-NSHDSACASA-N 1 0 335.433 3.132 20 5 EGBDRO COc1cc(C[N@@H+]2CCCCC[C@H]2C[C@H](C)O)c([N+](=O)[O-])cc1F ZINC000352886217 456390210 /nfs/dbraw/zinc/39/02/10/456390210.db2.gz PLCVKQGBYDYSCO-JSGCOSHPSA-N 1 0 340.395 3.258 20 5 EGBDRO C[C@@](CO)([NH2+]C[C@@H]1C[C@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000601150079 460732688 /nfs/dbraw/zinc/73/26/88/460732688.db2.gz UEVFJRCOEKPCNW-SNRMKQJTSA-N 1 0 326.396 3.196 20 5 EGBDRO CO[C@@H]1CCN(Cc2ccc(Br)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000282123032 456418929 /nfs/dbraw/zinc/41/89/29/456418929.db2.gz AWTKYGFZYPBOFR-CMPLNLGQSA-N 1 0 343.221 3.357 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1N1CCC[N@@H+](C3CCCC3)CC1)CCN2 ZINC000302905723 456434188 /nfs/dbraw/zinc/43/41/88/456434188.db2.gz WDBPIMCJIFAIIA-UHFFFAOYSA-N 1 0 330.432 3.018 20 5 EGBDRO O=[N+]([O-])c1cnc(NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)nc1 ZINC000290868244 456452546 /nfs/dbraw/zinc/45/25/46/456452546.db2.gz RJKXBQIAVKCVEE-INIZCTEOSA-N 1 0 341.415 3.099 20 5 EGBDRO CC[N@@H+](Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])C[C@H](C)OC ZINC000291048922 456509506 /nfs/dbraw/zinc/50/95/06/456509506.db2.gz HXFVZYSORRKTJE-JTQLQIEISA-N 1 0 348.346 3.062 20 5 EGBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000291059875 456513677 /nfs/dbraw/zinc/51/36/77/456513677.db2.gz XVZXQLDPUFIKGT-LLVKDONJSA-N 1 0 327.812 3.098 20 5 EGBDRO COc1ccc(-c2ccc(C[NH2+]C[C@@H]3CC[C@@H](O)C3)o2)c([N+](=O)[O-])c1 ZINC000353205226 456559005 /nfs/dbraw/zinc/55/90/05/456559005.db2.gz IAPVUFBMZPEQAD-CHWSQXEVSA-N 1 0 346.383 3.114 20 5 EGBDRO CC[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C1CCOCC1 ZINC000343383173 456577427 /nfs/dbraw/zinc/57/74/27/456577427.db2.gz SUHAPHJCYZTGCE-MRXNPFEDSA-N 1 0 349.431 3.027 20 5 EGBDRO CC(C)[N@H+](C)CCCNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000291529037 456669298 /nfs/dbraw/zinc/66/92/98/456669298.db2.gz STXCNCQNXRJNCV-UHFFFAOYSA-N 1 0 348.230 3.362 20 5 EGBDRO COc1cc2c(cc1C[NH2+]CCc1ccc([N+](=O)[O-])cc1)O[C@H](C)C2 ZINC000327388736 456706319 /nfs/dbraw/zinc/70/63/19/456706319.db2.gz QUTNSYHVWUANNU-CYBMUJFWSA-N 1 0 342.395 3.259 20 5 EGBDRO C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)N1c2ccccc2C[C@H]1C ZINC000343561042 456706414 /nfs/dbraw/zinc/70/64/14/456706414.db2.gz HUMKGZSAPCJZSY-KGLIPLIRSA-N 1 0 339.395 3.051 20 5 EGBDRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000299501765 456712034 /nfs/dbraw/zinc/71/20/34/456712034.db2.gz QQPJFGOJYVVIOF-INIZCTEOSA-N 1 0 345.443 3.179 20 5 EGBDRO C[C@H]1C[N@H+](Cc2ccccc2)CCN1Cc1cccc([N+](=O)[O-])c1 ZINC000353573136 456773366 /nfs/dbraw/zinc/77/33/66/456773366.db2.gz WPOQYARYTTXVNI-INIZCTEOSA-N 1 0 325.412 3.301 20 5 EGBDRO C[C@@H]1CCC[C@H]1C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000353600267 456794283 /nfs/dbraw/zinc/79/42/83/456794283.db2.gz YGRFIFXTBTUGMQ-UKPHBRMFSA-N 1 0 328.416 3.444 20 5 EGBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000301144004 456805990 /nfs/dbraw/zinc/80/59/90/456805990.db2.gz DZWOYEJNPOBJDL-UHFFFAOYSA-N 1 0 344.390 3.150 20 5 EGBDRO C[N@@H+]1CC[C@@]2(CCN(Cc3cc(Cl)cc(Cl)c3[N+](=O)[O-])C2)C1 ZINC000292173402 456876104 /nfs/dbraw/zinc/87/61/04/456876104.db2.gz PXAGKKGNIXOFKM-OAHLLOKOSA-N 1 0 344.242 3.429 20 5 EGBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+](CCCCO)C2CC2)c1 ZINC000339005159 456895457 /nfs/dbraw/zinc/89/54/57/456895457.db2.gz NAXVYDOEKZSFSR-UHFFFAOYSA-N 1 0 332.322 3.351 20 5 EGBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CC[C@@]3(CCOC3)C2)c1 ZINC000339013889 456900235 /nfs/dbraw/zinc/90/02/35/456900235.db2.gz MOGFCVMAVGJXNZ-CQSZACIVSA-N 1 0 330.306 3.226 20 5 EGBDRO C[C@H]([NH2+]Cc1ccc(C[S@](C)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000353793465 456909355 /nfs/dbraw/zinc/90/93/55/456909355.db2.gz JLGSNNZDVQADEX-NPMABZOXSA-N 1 0 332.425 3.324 20 5 EGBDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000339064485 456923745 /nfs/dbraw/zinc/92/37/45/456923745.db2.gz HXXYWAKKHNGAPA-GHMZBOCLSA-N 1 0 331.338 3.138 20 5 EGBDRO C[C@@H]([NH2+]Cc1cc([O-])ccc1[N+](=O)[O-])[C@H]1OCCc2sccc21 ZINC000339215339 456995680 /nfs/dbraw/zinc/99/56/80/456995680.db2.gz UYZKPVHMBVWESD-QLJPJBMISA-N 1 0 334.397 3.154 20 5 EGBDRO Cc1ccc([C@H](C)NC(=O)c2ccccc2C[NH+](C)C)cc1[N+](=O)[O-] ZINC000362876845 457138700 /nfs/dbraw/zinc/13/87/00/457138700.db2.gz RHWDJKWNVZSHQO-AWEZNQCLSA-N 1 0 341.411 3.456 20 5 EGBDRO Cc1cccc(C(=O)N2CC[NH+](C3CCC(C)CC3)CC2)c1[N+](=O)[O-] ZINC000359988478 457188508 /nfs/dbraw/zinc/18/85/08/457188508.db2.gz WWVVYMBHLCPONP-UHFFFAOYSA-N 1 0 345.443 3.240 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000331520172 457199166 /nfs/dbraw/zinc/19/91/66/457199166.db2.gz JMDCZISBZHZGAE-UONOGXRCSA-N 1 0 341.415 3.046 20 5 EGBDRO Cc1ccc(C(=O)N2CCC[C@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)cc1[N+](=O)[O-] ZINC000347046425 457202333 /nfs/dbraw/zinc/20/23/33/457202333.db2.gz CQCXPXBLGJUPTC-UXLLHSPISA-N 1 0 345.443 3.381 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](C[C@@H]3CCCCC3(F)F)C2)nc1 ZINC000331581505 457211377 /nfs/dbraw/zinc/21/13/77/457211377.db2.gz XFFPEQWFVPNLJJ-QWHCGFSZSA-N 1 0 340.374 3.302 20 5 EGBDRO CC(C)[C@@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)C1(CO)CCC1 ZINC000339730045 457236227 /nfs/dbraw/zinc/23/62/27/457236227.db2.gz YYYUXRINOJVWOA-OAHLLOKOSA-N 1 0 328.359 3.150 20 5 EGBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000347259984 457318168 /nfs/dbraw/zinc/31/81/68/457318168.db2.gz XTBFQKZOYLRCGW-TZMCWYRMSA-N 1 0 345.424 3.222 20 5 EGBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000332362258 457355438 /nfs/dbraw/zinc/35/54/38/457355438.db2.gz CYHMXYSGPJMCCG-RVKKMQEKSA-N 1 0 345.443 3.001 20 5 EGBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000332362254 457356045 /nfs/dbraw/zinc/35/60/45/457356045.db2.gz CYHMXYSGPJMCCG-IIDMSEBBSA-N 1 0 345.443 3.001 20 5 EGBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000360880699 457403681 /nfs/dbraw/zinc/40/36/81/457403681.db2.gz AMVKXRSKAMNJGJ-MRXNPFEDSA-N 1 0 343.431 3.369 20 5 EGBDRO CCC[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000347509732 457475065 /nfs/dbraw/zinc/47/50/65/457475065.db2.gz AVKNACGQHWSWLW-MJGOQNOKSA-N 1 0 344.411 3.466 20 5 EGBDRO CC(C)[NH+](CCN(C)C(=O)c1c(Cl)cccc1[N+](=O)[O-])C(C)C ZINC000356170192 457503033 /nfs/dbraw/zinc/50/30/33/457503033.db2.gz UJMWHUNFYPOHEH-UHFFFAOYSA-N 1 0 341.839 3.439 20 5 EGBDRO CCC[C@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1)c1cccc([N+](=O)[O-])c1 ZINC000374576223 457664537 /nfs/dbraw/zinc/66/45/37/457664537.db2.gz OXSDKSHQSMYSLB-QAPCUYQASA-N 1 0 343.431 3.038 20 5 EGBDRO COc1ccc(-c2ccc(C[N@H+](C)CC3CC(O)C3)o2)c([N+](=O)[O-])c1 ZINC000443850551 457815725 /nfs/dbraw/zinc/81/57/25/457815725.db2.gz GNRASDMCNZHMSK-UHFFFAOYSA-N 1 0 346.383 3.066 20 5 EGBDRO COc1ccc(NC(=O)CC[NH+](CC2CC2)CC2CC2)c([N+](=O)[O-])c1 ZINC000411374714 457868245 /nfs/dbraw/zinc/86/82/45/457868245.db2.gz NEGFVTAPZLPQPA-UHFFFAOYSA-N 1 0 347.415 3.054 20 5 EGBDRO Cc1c(C[NH2+]C2CCN(Cc3ccccn3)CC2)cccc1[N+](=O)[O-] ZINC000358302981 457921579 /nfs/dbraw/zinc/92/15/79/457921579.db2.gz AFRBWIJBEJMING-UHFFFAOYSA-N 1 0 340.427 3.052 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@H]1CCCC[C@@H]1C ZINC000411618063 457930160 /nfs/dbraw/zinc/93/01/60/457930160.db2.gz VZUSZLVKCUSKPH-BBRMVZONSA-N 1 0 349.431 3.443 20 5 EGBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000411975339 458029089 /nfs/dbraw/zinc/02/90/89/458029089.db2.gz BNGNCFVMSFLCPG-HNNXBMFYSA-N 1 0 326.400 3.098 20 5 EGBDRO CCc1ccc([C@H]2CCC[N@H+](Cc3c([N+](=O)[O-])ncn3C)C2)cc1 ZINC000375802883 458072930 /nfs/dbraw/zinc/07/29/30/458072930.db2.gz XQXIGNIOPHSQJI-INIZCTEOSA-N 1 0 328.416 3.270 20 5 EGBDRO O=[N+]([O-])c1ccc(CN(Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cc1 ZINC000435392029 458135417 /nfs/dbraw/zinc/13/54/17/458135417.db2.gz VKQSUEQYQVVRPQ-SFHVURJKSA-N 1 0 340.427 3.134 20 5 EGBDRO CCOc1cc(C[NH+]2CCC(OCC3CC3)CC2)ccc1[N+](=O)[O-] ZINC000375974689 458146568 /nfs/dbraw/zinc/14/65/68/458146568.db2.gz OOTUBQAENCYFCT-UHFFFAOYSA-N 1 0 334.416 3.385 20 5 EGBDRO CCc1nn(C)c(NC[C@@H]2CCC[N@@H+]2C2CCCCC2)c1[N+](=O)[O-] ZINC000435592734 458168306 /nfs/dbraw/zinc/16/83/06/458168306.db2.gz JCHWUZVEHJAQMV-AWEZNQCLSA-N 1 0 335.452 3.100 20 5 EGBDRO CCOc1cc(CN2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000429021216 458258227 /nfs/dbraw/zinc/25/82/27/458258227.db2.gz OFMOMNPHYYALFW-HDMKZQKVSA-N 1 0 347.459 3.156 20 5 EGBDRO CC[N@@H+]1CCC[C@@H](CNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000436319860 458288850 /nfs/dbraw/zinc/28/88/50/458288850.db2.gz RKKRXOPLJDWESN-JTQLQIEISA-N 1 0 332.326 3.152 20 5 EGBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCOc2ccccc2F)n1 ZINC000447512866 458302184 /nfs/dbraw/zinc/30/21/84/458302184.db2.gz QZFAXGCXZVTCIM-CABCVRRESA-N 1 0 348.378 3.083 20 5 EGBDRO CCOc1ccc(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000447545448 458309172 /nfs/dbraw/zinc/30/91/72/458309172.db2.gz YKEQBWYQAPXBHM-IAGOWNOFSA-N 1 0 344.415 3.464 20 5 EGBDRO CC(C)(C(=O)NCC[NH2+]C1CCCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000429562825 458345687 /nfs/dbraw/zinc/34/56/87/458345687.db2.gz WZYGFOXSATYEAC-UHFFFAOYSA-N 1 0 347.459 3.301 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000423432398 458432145 /nfs/dbraw/zinc/43/21/45/458432145.db2.gz BLAXCUOIFTXNMK-INIZCTEOSA-N 1 0 345.443 3.124 20 5 EGBDRO C[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1nc2c(s1)CCC2 ZINC000459638825 458433633 /nfs/dbraw/zinc/43/36/33/458433633.db2.gz UNCGHUMXAAPNLX-NSHDSACASA-N 1 0 333.413 3.270 20 5 EGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1nnc(C(C)(C)C)[nH]1 ZINC000459669951 458442060 /nfs/dbraw/zinc/44/20/60/458442060.db2.gz GTVSPDSTHDRTDE-LBPRGKRZSA-N 1 0 331.420 3.121 20 5 EGBDRO Cc1cc(C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)ccc1[N+](=O)[O-] ZINC000437836184 458501067 /nfs/dbraw/zinc/50/10/67/458501067.db2.gz GEUIWIVIAVHIHB-QGZVFWFLSA-N 1 0 345.443 3.430 20 5 EGBDRO CCO[C@@H]1C[C@H]([NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)[C@@]12CCCO2 ZINC000468616166 458528394 /nfs/dbraw/zinc/52/83/94/458528394.db2.gz BDPBDJXTCZMQSW-ATCOBHSPSA-N 1 0 346.427 3.314 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H](C)c1nnc2ccccn21 ZINC000468640070 458529701 /nfs/dbraw/zinc/52/97/01/458529701.db2.gz HZSQRJNKWLSRJX-ZVHGMHCTSA-N 1 0 337.383 3.392 20 5 EGBDRO Cc1cc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(F)cc1[N+](=O)[O-] ZINC000461934416 458580621 /nfs/dbraw/zinc/58/06/21/458580621.db2.gz GRQWLTVRYJOXIP-BBRMVZONSA-N 1 0 333.407 3.495 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000470179015 458621075 /nfs/dbraw/zinc/62/10/75/458621075.db2.gz RDYALZYMKDJVMY-FYXHJSOBSA-N 1 0 329.444 3.416 20 5 EGBDRO [NH3+]C1(c2noc(-c3c[nH]c4cc([N+](=O)[O-])ccc34)n2)CCCCC1 ZINC000424344497 458622334 /nfs/dbraw/zinc/62/23/34/458622334.db2.gz LFBOICUGHFMBGQ-UHFFFAOYSA-N 1 0 327.344 3.244 20 5 EGBDRO CCCNC(=O)C[N@H+](CCC)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000470185383 458622798 /nfs/dbraw/zinc/62/27/98/458622798.db2.gz ZWOIQFHPJQHYPS-RVDMUPIBSA-N 1 0 333.432 3.236 20 5 EGBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000462757405 458650596 /nfs/dbraw/zinc/65/05/96/458650596.db2.gz SZLYDKVDRPADLR-INIZCTEOSA-N 1 0 347.459 3.154 20 5 EGBDRO C[C@@H](Nc1nc2sccn2c1[N+](=O)[O-])[C@H](c1ccccc1)[NH+](C)C ZINC000439122017 458657568 /nfs/dbraw/zinc/65/75/68/458657568.db2.gz WMNSSFLUWOBDFG-DGCLKSJQSA-N 1 0 345.428 3.407 20 5 EGBDRO CN(CC[C@H]1CCCC[N@@H+]1C)c1ccnc2c1cccc2[N+](=O)[O-] ZINC000432311672 458712422 /nfs/dbraw/zinc/71/24/22/458712422.db2.gz LPJVNYPGMYUZPX-CQSZACIVSA-N 1 0 328.416 3.454 20 5 EGBDRO CCc1ccc(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000471821175 458738184 /nfs/dbraw/zinc/73/81/84/458738184.db2.gz JPGXUOMBBPUIBM-UONOGXRCSA-N 1 0 333.432 3.007 20 5 EGBDRO CCC[C@@]1(C)CCC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000464842727 458781575 /nfs/dbraw/zinc/78/15/75/458781575.db2.gz KZSZXNWDWFDDGD-AEFFLSMTSA-N 1 0 336.432 3.237 20 5 EGBDRO CC(C)c1ccc(C[N@H+](C)CCCNC(=O)C2CCC2)cc1[N+](=O)[O-] ZINC000432815365 458791655 /nfs/dbraw/zinc/79/16/55/458791655.db2.gz GBGCPJOWJVIMDQ-UHFFFAOYSA-N 1 0 347.459 3.456 20 5 EGBDRO COC(=O)[C@H]1CC[C@@H]([NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000432996752 458824238 /nfs/dbraw/zinc/82/42/38/458824238.db2.gz HXOCZERXPBNVTF-OZVIIMIRSA-N 1 0 332.400 3.249 20 5 EGBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC(C)(C)C[NH+]1CCCC1 ZINC000457051642 458848866 /nfs/dbraw/zinc/84/88/66/458848866.db2.gz NEMDGJHZGCPPSW-INIZCTEOSA-N 1 0 347.459 3.154 20 5 EGBDRO COc1ccc(OCC[N@@H+]2CCC[C@H]2c2ccccn2)c([N+](=O)[O-])c1 ZINC000531201862 458887900 /nfs/dbraw/zinc/88/79/00/458887900.db2.gz QNOKFPYWUICEDA-INIZCTEOSA-N 1 0 343.383 3.214 20 5 EGBDRO CC(C)(C)OC(=O)NC[C@]1(C)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000495590178 458891086 /nfs/dbraw/zinc/89/10/86/458891086.db2.gz RPTGHQVNNOXEKO-SFHVURJKSA-N 1 0 349.431 3.332 20 5 EGBDRO C[N@H+](CCCCNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)C1CC1 ZINC000457194606 458894562 /nfs/dbraw/zinc/89/45/62/458894562.db2.gz FTQGNRLCFHKAFA-UHFFFAOYSA-N 1 0 347.440 3.414 20 5 EGBDRO COc1cc(C[NH2+]CCc2ccc3[nH]ccc3c2)c([N+](=O)[O-])cc1O ZINC000441191147 458896614 /nfs/dbraw/zinc/89/66/14/458896614.db2.gz BBXTWVXIXYPHHF-UHFFFAOYSA-N 1 0 341.367 3.123 20 5 EGBDRO CC(C)C[C@@H]1CCCC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000466664488 458911832 /nfs/dbraw/zinc/91/18/32/458911832.db2.gz LBEWBWVPAVBMOI-KRWDZBQOSA-N 1 0 333.432 3.458 20 5 EGBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000466818064 458924956 /nfs/dbraw/zinc/92/49/56/458924956.db2.gz XQWPVPGGYWBXCX-TVQRCGJNSA-N 1 0 340.221 3.252 20 5 EGBDRO C[C@H](CC(F)(F)F)[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000468053169 458999399 /nfs/dbraw/zinc/99/93/99/458999399.db2.gz WZTYZWSJPRQLEN-VHSXEESVSA-N 1 0 333.310 3.242 20 5 EGBDRO O=[N+]([O-])c1cnc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)c(F)c1 ZINC000577350236 459020186 /nfs/dbraw/zinc/02/01/86/459020186.db2.gz XDLSTCBKKAHSKI-CQSZACIVSA-N 1 0 336.411 3.221 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2N2CCOCC2)cc1[N+](=O)[O-] ZINC000532247999 459053477 /nfs/dbraw/zinc/05/34/77/459053477.db2.gz FXFAZOCDFUUXQW-CGTJXYLNSA-N 1 0 347.459 3.197 20 5 EGBDRO Cc1c([C@H](C)[NH2+][C@H](CO)Cc2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000557274361 459060099 /nfs/dbraw/zinc/06/00/99/459060099.db2.gz SFPOLJVIEZJILP-BBRMVZONSA-N 1 0 332.375 3.297 20 5 EGBDRO C[C@H]([NH2+][C@@H](COC(N)=O)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000496099007 459067203 /nfs/dbraw/zinc/06/72/03/459067203.db2.gz LBSCFUQQXXREEQ-XJKSGUPXSA-N 1 0 343.383 3.366 20 5 EGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](C)C(=O)OC(C)(C)C ZINC000594511650 459069364 /nfs/dbraw/zinc/06/93/64/459069364.db2.gz FUUYXYXYGYNUHZ-ZIAGYGMSSA-N 1 0 336.432 3.483 20 5 EGBDRO Cc1ccc(NC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000520975108 459108969 /nfs/dbraw/zinc/10/89/69/459108969.db2.gz PABUZHWVUIWDED-UHFFFAOYSA-N 1 0 334.420 3.241 20 5 EGBDRO COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2C(C)(C)C)c([N+](=O)[O-])c1 ZINC000533291419 459212679 /nfs/dbraw/zinc/21/26/79/459212679.db2.gz PAAXEIOPJCXASI-OAHLLOKOSA-N 1 0 335.404 3.052 20 5 EGBDRO CC(C)(CNCc1ccc([N+](=O)[O-])cc1Cl)C[NH+]1CCCC1 ZINC000480913390 459223737 /nfs/dbraw/zinc/22/37/37/459223737.db2.gz SVIWUMAHVANYRZ-UHFFFAOYSA-N 1 0 325.840 3.460 20 5 EGBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000522211596 459227317 /nfs/dbraw/zinc/22/73/17/459227317.db2.gz BYNPAJDBVCBNQG-CQSZACIVSA-N 1 0 347.459 3.352 20 5 EGBDRO CC[C@H](C)[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000533426949 459234157 /nfs/dbraw/zinc/23/41/57/459234157.db2.gz PBYZMYQSGCSSJL-XJKSGUPXSA-N 1 0 349.431 3.443 20 5 EGBDRO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000481123712 459234897 /nfs/dbraw/zinc/23/48/97/459234897.db2.gz QRNYFIWDORGHNL-CJNGLKHVSA-N 1 0 345.443 3.288 20 5 EGBDRO Cc1c([C@H](C)[NH2+]C[C@@H](CO)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000481175905 459237862 /nfs/dbraw/zinc/23/78/62/459237862.db2.gz QJWUAUGROIGQNE-RDJZCZTQSA-N 1 0 328.412 3.405 20 5 EGBDRO CO[C@@H](C[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000595093378 459243380 /nfs/dbraw/zinc/24/33/80/459243380.db2.gz APAVRJFOSHDYRA-DYVFJYSZSA-N 1 0 349.431 3.107 20 5 EGBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2CC[C@@H]3CCCC[C@@H]3C2)c1 ZINC000559238910 459243672 /nfs/dbraw/zinc/24/36/72/459243672.db2.gz LETXKEOPPFMMAD-BVIKNXMNSA-N 1 0 348.443 3.283 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+]CC(C)(C)[C@]2(O)CCCOC2)cc1[N+](=O)[O-] ZINC000595100010 459245535 /nfs/dbraw/zinc/24/55/35/459245535.db2.gz IBDGABBOGQYBGI-KDOFPFPSSA-N 1 0 336.432 3.122 20 5 EGBDRO CC[C@@H]([NH2+]CC(C)(C)[C@]1(O)CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000595099966 459245810 /nfs/dbraw/zinc/24/58/10/459245810.db2.gz HMVQXFGIDZJTAC-AEFFLSMTSA-N 1 0 336.432 3.203 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000595105935 459246516 /nfs/dbraw/zinc/24/65/16/459246516.db2.gz UUCXKKQFKZNMPC-KGLIPLIRSA-N 1 0 333.432 3.201 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000595222522 459258449 /nfs/dbraw/zinc/25/84/49/459258449.db2.gz LLTOTSMYYZDQLR-INIZCTEOSA-N 1 0 345.443 3.063 20 5 EGBDRO Cc1ccc([C@H](C)NC(=O)C[C@H]2[NH2+]Cc3ccccc32)cc1[N+](=O)[O-] ZINC000595254984 459263146 /nfs/dbraw/zinc/26/31/46/459263146.db2.gz RENZUTPXMYXBSX-SUMWQHHRSA-N 1 0 339.395 3.315 20 5 EGBDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1C ZINC000522845831 459267474 /nfs/dbraw/zinc/26/74/74/459267474.db2.gz DFRSGZYRHOGUGX-HNNXBMFYSA-N 1 0 333.432 3.288 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(OC(=O)N(C)C)CC1 ZINC000496649469 459273119 /nfs/dbraw/zinc/27/31/19/459273119.db2.gz WHSCAQAQXPNZFF-SDNWHVSQSA-N 1 0 347.415 3.161 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](C2CCC2)C1 ZINC000591062239 459303021 /nfs/dbraw/zinc/30/30/21/459303021.db2.gz ZEGNPEFKXWTPEV-CQSZACIVSA-N 1 0 347.415 3.054 20 5 EGBDRO C[C@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](C)C1 ZINC000523527986 459312168 /nfs/dbraw/zinc/31/21/68/459312168.db2.gz CMCVBIYFOAWCTM-LSDHHAIUSA-N 1 0 347.459 3.109 20 5 EGBDRO C[C@@H](NC(=O)N[C@@H](C)C[NH+]1CCC(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000595482650 459319646 /nfs/dbraw/zinc/31/96/46/459319646.db2.gz SYTBDKWRTKFIHY-LSDHHAIUSA-N 1 0 348.447 3.075 20 5 EGBDRO COc1cc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)sn1 ZINC000595524398 459334400 /nfs/dbraw/zinc/33/44/00/459334400.db2.gz MODDCRPSNPEIPE-CYBMUJFWSA-N 1 0 333.413 3.440 20 5 EGBDRO CCOc1ccc(NC(=O)C[N@H+](C)[C@@H]2CCC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000483117747 459340188 /nfs/dbraw/zinc/34/01/88/459340188.db2.gz YMVAMVVVOZBHBK-CYBMUJFWSA-N 1 0 349.431 3.443 20 5 EGBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+](CC2CC2)C2CCCCC2)c1 ZINC000524367936 459359882 /nfs/dbraw/zinc/35/98/82/459359882.db2.gz XOFZYJGNLBJMGW-SFHVURJKSA-N 1 0 348.443 3.379 20 5 EGBDRO COC[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cccc(OC)c1 ZINC000595684587 459395819 /nfs/dbraw/zinc/39/58/19/459395819.db2.gz PHDDISVWTKHMKK-SFHVURJKSA-N 1 0 330.384 3.123 20 5 EGBDRO CC(C)c1ccc(C(=O)N(C2CC2)C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000591680758 459421752 /nfs/dbraw/zinc/42/17/52/459421752.db2.gz FQUDVRPZXPBDKQ-UHFFFAOYSA-N 1 0 331.416 3.075 20 5 EGBDRO CC(C)CCSc1ccc(C(=O)N(C)CCC[NH3+])cc1[N+](=O)[O-] ZINC000591679414 459421816 /nfs/dbraw/zinc/42/18/16/459421816.db2.gz UEDXYPRJCRAEBQ-UHFFFAOYSA-N 1 0 339.461 3.154 20 5 EGBDRO C[C@H](CC[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000591730874 459425731 /nfs/dbraw/zinc/42/57/31/459425731.db2.gz SJHKNOWTFLQINN-NVXWUHKLSA-N 1 0 344.411 3.118 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC([C@@H]2CCCCO2)CC1 ZINC000595785539 459440419 /nfs/dbraw/zinc/44/04/19/459440419.db2.gz XOWLDGXSTLBSOX-KRWDZBQOSA-N 1 0 334.416 3.385 20 5 EGBDRO C[C@@H]1CCN(CC[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000525288213 459441473 /nfs/dbraw/zinc/44/14/73/459441473.db2.gz FLOGRPXLOFEXSP-CQSZACIVSA-N 1 0 329.400 3.286 20 5 EGBDRO CC[N@@H+](Cc1ccc(Br)cc1[N+](=O)[O-])C[C@@H]1CCOC1 ZINC000591840784 459451855 /nfs/dbraw/zinc/45/18/55/459451855.db2.gz ONNWFUYGDDTWII-NSHDSACASA-N 1 0 343.221 3.216 20 5 EGBDRO C[NH+](C)CC1CCN(c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000596082771 459514302 /nfs/dbraw/zinc/51/43/02/459514302.db2.gz MIJWNSXOVWWAAB-UHFFFAOYSA-N 1 0 342.237 3.135 20 5 EGBDRO CC(C)[C@@H](CO)C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000583404412 459531753 /nfs/dbraw/zinc/53/17/53/459531753.db2.gz RXQNULYHGVOVHC-CYBMUJFWSA-N 1 0 335.429 3.072 20 5 EGBDRO C[C@@H](C(=O)NC1CC[NH+](C2CCCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000562300597 459533033 /nfs/dbraw/zinc/53/30/33/459533033.db2.gz SEXGNGZHUUFJCG-CQSZACIVSA-N 1 0 345.443 3.222 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC2(C[C@@H]1C)CCOCC2 ZINC000592181057 459544855 /nfs/dbraw/zinc/54/48/55/459544855.db2.gz BCYUUVMKBXBTRC-AWEZNQCLSA-N 1 0 334.416 3.385 20 5 EGBDRO CCc1ccc(C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000592254254 459561289 /nfs/dbraw/zinc/56/12/89/459561289.db2.gz ASBKJFSTKLCJCY-IAGOWNOFSA-N 1 0 345.443 3.009 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1ccc(CN2CC[C@H]3CC[NH2+][C@H]3C2)o1 ZINC000592432379 459599628 /nfs/dbraw/zinc/59/96/28/459599628.db2.gz GKPMIMKUOOHATJ-CJNGLKHVSA-N 1 0 327.384 3.039 20 5 EGBDRO C[C@H]1Oc2ccccc2[C@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000573083751 459622730 /nfs/dbraw/zinc/62/27/30/459622730.db2.gz HNVUBSUKBHLCJX-XIKOKIGWSA-N 1 0 341.367 3.035 20 5 EGBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+](CC1CC1)C1CCCCC1 ZINC000543208063 459635351 /nfs/dbraw/zinc/63/53/51/459635351.db2.gz YRLWQHMOJSATLE-QGZVFWFLSA-N 1 0 348.443 3.379 20 5 EGBDRO O=[N+]([O-])c1sccc1NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000596439473 459636799 /nfs/dbraw/zinc/63/67/99/459636799.db2.gz CHUZJEKPENNMIC-UHFFFAOYSA-N 1 0 332.429 3.375 20 5 EGBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCc1ccccc1 ZINC000499963122 459659458 /nfs/dbraw/zinc/65/94/58/459659458.db2.gz MIUULPHJLAINQS-CQSZACIVSA-N 1 0 327.384 3.144 20 5 EGBDRO CC(C)n1cc([C@H](C)[NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)cn1 ZINC000543503408 459665344 /nfs/dbraw/zinc/66/53/44/459665344.db2.gz PBBNBDFOTKBILV-ZDUSSCGKSA-N 1 0 345.403 3.052 20 5 EGBDRO COCc1cc([N+](=O)[O-])ccc1NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000596557778 459676327 /nfs/dbraw/zinc/67/63/27/459676327.db2.gz LBIBQVPAFWCKJS-SFHVURJKSA-N 1 0 341.411 3.428 20 5 EGBDRO Cc1ccccc1CC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000566108862 459806595 /nfs/dbraw/zinc/80/65/95/459806595.db2.gz IFLYOEDIUNFKLH-UHFFFAOYSA-N 1 0 327.384 3.064 20 5 EGBDRO CN(CC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000574598323 459839446 /nfs/dbraw/zinc/83/94/46/459839446.db2.gz RYODNPPTUZZQFN-SJORKVTESA-N 1 0 343.431 3.001 20 5 EGBDRO CCOC(=O)[C@]1(C)CCC[C@H]1[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000597238864 459890212 /nfs/dbraw/zinc/89/02/12/459890212.db2.gz JWTSVEADSFFOTH-XPAKDJPHSA-N 1 0 332.400 3.320 20 5 EGBDRO Cc1cc(N2CCC([C@@H](C)CO)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000593506139 459909291 /nfs/dbraw/zinc/90/92/91/459909291.db2.gz OQKJEYWSORFCIU-LBPRGKRZSA-N 1 0 329.400 3.296 20 5 EGBDRO C[C@H](O)C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000609194310 459921522 /nfs/dbraw/zinc/92/15/22/459921522.db2.gz PTDIIYFWMRZAPZ-HNNXBMFYSA-N 1 0 336.432 3.379 20 5 EGBDRO Cc1cc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)ccn1 ZINC000598594429 459957930 /nfs/dbraw/zinc/95/79/30/459957930.db2.gz HGZHPGXVIBMQNP-UHFFFAOYSA-N 1 0 327.384 3.342 20 5 EGBDRO CCC[C@H]([NH2+]C[C@@H]1CC(=O)N(C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000593718145 459962382 /nfs/dbraw/zinc/96/23/82/459962382.db2.gz LPNOUWONBASYJJ-GUYCJALGSA-N 1 0 331.416 3.037 20 5 EGBDRO Cc1ccc(CC[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1 ZINC000602549997 459992348 /nfs/dbraw/zinc/99/23/48/459992348.db2.gz HJRNQWCNWXQVQY-UHFFFAOYSA-N 1 0 340.427 3.099 20 5 EGBDRO CCC(CC)(CO)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602546396 459992443 /nfs/dbraw/zinc/99/24/43/459992443.db2.gz MFBFVQLJCMXZIK-UHFFFAOYSA-N 1 0 337.239 3.060 20 5 EGBDRO COC[C@H](Cc1ccccc1)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602562521 459998737 /nfs/dbraw/zinc/99/87/37/459998737.db2.gz CJYFQLFAVASXEU-AWEZNQCLSA-N 1 0 341.367 3.083 20 5 EGBDRO CC1(C)C[C@@H]([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CCO1 ZINC000602575750 460005062 /nfs/dbraw/zinc/00/50/62/460005062.db2.gz JGMXKHGVVIJZPW-QMMMGPOBSA-N 1 0 349.250 3.466 20 5 EGBDRO Cc1ccnc(N2CCC(C[NH+]3CCCCCC3)CC2)c1[N+](=O)[O-] ZINC000609669643 460005341 /nfs/dbraw/zinc/00/53/41/460005341.db2.gz NLNSEMNCQHRVGU-UHFFFAOYSA-N 1 0 332.448 3.391 20 5 EGBDRO C[C@H]1C[C@H]([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CCO1 ZINC000602577114 460005741 /nfs/dbraw/zinc/00/57/41/460005741.db2.gz RYSQJLJOCDBMEI-JGVFFNPUSA-N 1 0 335.223 3.076 20 5 EGBDRO CN(C[C@H]1CCC[N@H+](C)C1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000609670912 460005952 /nfs/dbraw/zinc/00/59/52/460005952.db2.gz RTLRJQAABSYGOZ-NSHDSACASA-N 1 0 342.237 3.135 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCCC[N@H+]1CC(C)C ZINC000618468286 460019407 /nfs/dbraw/zinc/01/94/07/460019407.db2.gz KOZXIVFATGAPGO-HNNXBMFYSA-N 1 0 333.432 3.144 20 5 EGBDRO CC(=O)Nc1ccc(-c2ccc(CC[NH+](C)C)cc2)cc1[N+](=O)[O-] ZINC000593954941 460026916 /nfs/dbraw/zinc/02/69/16/460026916.db2.gz UQHIRSLPENIJRV-UHFFFAOYSA-N 1 0 327.384 3.324 20 5 EGBDRO C[N@H+](Cc1ccccc1)[C@@H](CNc1cccnc1[N+](=O)[O-])C1CC1 ZINC000614153761 460029878 /nfs/dbraw/zinc/02/98/78/460029878.db2.gz XAHNUUYBICXLQP-KRWDZBQOSA-N 1 0 326.400 3.312 20 5 EGBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CC[C@@H](c3ccncc3)C2)cc1 ZINC000593989749 460042853 /nfs/dbraw/zinc/04/28/53/460042853.db2.gz UXWDYUPSMROBNM-MRXNPFEDSA-N 1 0 327.384 3.248 20 5 EGBDRO CCOC(=O)[C@]1(C(C)C)CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000618546665 460053994 /nfs/dbraw/zinc/05/39/94/460053994.db2.gz CQFRNNDNBFWNTA-QGZVFWFLSA-N 1 0 338.379 3.145 20 5 EGBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000610062450 460058181 /nfs/dbraw/zinc/05/81/81/460058181.db2.gz UIBGMICKVZOBJZ-GJZGRUSLSA-N 1 0 347.459 3.109 20 5 EGBDRO CO[C@@](C)(C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)C1CC1 ZINC000602674535 460059865 /nfs/dbraw/zinc/05/98/65/460059865.db2.gz DUWSCWONVYFNAV-LBPRGKRZSA-N 1 0 349.250 3.324 20 5 EGBDRO CCC(C)(C)[NH+]1CCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000594021605 460059869 /nfs/dbraw/zinc/05/98/69/460059869.db2.gz WULNVEJIYONMPT-UHFFFAOYSA-N 1 0 335.448 3.170 20 5 EGBDRO COc1cccc2c1CC[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000576056289 460060086 /nfs/dbraw/zinc/06/00/86/460060086.db2.gz NUHOOPUEMSDNJK-HNNXBMFYSA-N 1 0 342.395 3.129 20 5 EGBDRO CC1(C)C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@H]1[C@H]1CCCO1 ZINC000589272899 460066491 /nfs/dbraw/zinc/06/64/91/460066491.db2.gz SCBXWHNZGYQAAA-SJORKVTESA-N 1 0 334.416 3.253 20 5 EGBDRO COc1ccc(C)cc1C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000618571473 460067491 /nfs/dbraw/zinc/06/74/91/460067491.db2.gz UJLPIOJLXCWZLM-HZPDHXFCSA-N 1 0 344.415 3.382 20 5 EGBDRO CC(C)OC(=O)C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)C(C)C ZINC000594039699 460068421 /nfs/dbraw/zinc/06/84/21/460068421.db2.gz HVHOIXHBLUFRFX-HNNXBMFYSA-N 1 0 326.368 3.190 20 5 EGBDRO C[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@@H]1CO ZINC000602716024 460082883 /nfs/dbraw/zinc/08/28/83/460082883.db2.gz QQODYEQCEIMJOH-CMPLNLGQSA-N 1 0 332.322 3.064 20 5 EGBDRO CCC[C@@H](CCO)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602725361 460087473 /nfs/dbraw/zinc/08/74/73/460087473.db2.gz QBFYVWIBAQWKPL-QMMMGPOBSA-N 1 0 337.239 3.060 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594099746 460100762 /nfs/dbraw/zinc/10/07/62/460100762.db2.gz KHHFPHYWUHCGRC-GOEBONIOSA-N 1 0 346.431 3.350 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@H](c2ccccc2C)C[C@H]1C ZINC000602780208 460119566 /nfs/dbraw/zinc/11/95/66/460119566.db2.gz PVUCEQGJKPKDIQ-GDBMZVCRSA-N 1 0 328.416 3.286 20 5 EGBDRO COc1cccc([C@H]2C[C@H](C)C[N@@H+]2CCn2c(C)ncc2[N+](=O)[O-])c1 ZINC000602801470 460132956 /nfs/dbraw/zinc/13/29/56/460132956.db2.gz DKVRMOXNJRPXKP-SUMWQHHRSA-N 1 0 344.415 3.191 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+]C1(Cc2ccccc2)CCCC1 ZINC000602811117 460140816 /nfs/dbraw/zinc/14/08/16/460140816.db2.gz XAJAAYQFYGAROA-UHFFFAOYSA-N 1 0 328.416 3.245 20 5 EGBDRO Cc1ccc(C[C@@H]2CCC[N@H+](CCn3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000576519568 460158675 /nfs/dbraw/zinc/15/86/75/460158675.db2.gz JRODYFMNKYFLHX-KRWDZBQOSA-N 1 0 328.416 3.054 20 5 EGBDRO C[C@@H]1CN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000599106537 460163097 /nfs/dbraw/zinc/16/30/97/460163097.db2.gz VBZNDWFSKGQHGZ-OKILXGFUSA-N 1 0 339.395 3.012 20 5 EGBDRO Cc1ncc([C@H](C)[NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)s1 ZINC000602955238 460200591 /nfs/dbraw/zinc/20/05/91/460200591.db2.gz HDVCBIGIKPCWRP-NSHDSACASA-N 1 0 348.428 3.348 20 5 EGBDRO CC(C)O[C@@H]1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000576751308 460206289 /nfs/dbraw/zinc/20/62/89/460206289.db2.gz UERHBIOVBODQME-MRXNPFEDSA-N 1 0 345.399 3.292 20 5 EGBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000598220457 460210203 /nfs/dbraw/zinc/21/02/03/460210203.db2.gz PJVDYQJFOLIMCN-MRXNPFEDSA-N 1 0 345.443 3.051 20 5 EGBDRO C[C@H](c1ccncc1)[NH+]1CCC(Nc2cccnc2[N+](=O)[O-])CC1 ZINC000610969582 460268486 /nfs/dbraw/zinc/26/84/86/460268486.db2.gz ZZJGJENAPOEBNW-CYBMUJFWSA-N 1 0 327.388 3.022 20 5 EGBDRO C[C@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])CC[C@@H]1C(=O)OC(C)(C)C ZINC000599580187 460278734 /nfs/dbraw/zinc/27/87/34/460278734.db2.gz DRJFRDAQWJBZNN-ZFWWWQNUSA-N 1 0 334.416 3.395 20 5 EGBDRO Cc1cnc(N2CCC(CCC[NH+]3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000611030824 460279310 /nfs/dbraw/zinc/27/93/10/460279310.db2.gz OYNQOAZQXHHRQF-UHFFFAOYSA-N 1 0 332.448 3.391 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[N@H+](Cc1ccccc1-n1cncn1)C1CC1 ZINC000611254787 460317860 /nfs/dbraw/zinc/31/78/60/460317860.db2.gz CSQWOQOERZCJSP-UHFFFAOYSA-N 1 0 349.394 3.340 20 5 EGBDRO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CC[C@@H](c3ccccc3)C1)OCCO2 ZINC000611254918 460318213 /nfs/dbraw/zinc/31/82/13/460318213.db2.gz HFGOGVBVGIHYQX-OAHLLOKOSA-N 1 0 340.379 3.356 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCN(C2CCCCC2)C1=O ZINC000611337122 460339722 /nfs/dbraw/zinc/33/97/22/460339722.db2.gz TVNMZYIJXNEXRX-KBXCAEBGSA-N 1 0 345.443 3.487 20 5 EGBDRO Cc1cc(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])ncn1 ZINC000611337292 460339742 /nfs/dbraw/zinc/33/97/42/460339742.db2.gz VHPKGSPANAGGJG-YOEHRIQHSA-N 1 0 326.400 3.194 20 5 EGBDRO Cc1c(C[N@H+]2C[C@H]3CN(c4ccccc4)C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000603864377 460350621 /nfs/dbraw/zinc/35/06/21/460350621.db2.gz BPUIQROFXQYRKD-HDICACEKSA-N 1 0 337.423 3.471 20 5 EGBDRO Cc1ccccc1C[NH+]1CCC(Nc2cccnc2[N+](=O)[O-])CC1 ZINC000603865339 460351392 /nfs/dbraw/zinc/35/13/92/460351392.db2.gz YWNZQCKXZITCHZ-UHFFFAOYSA-N 1 0 326.400 3.375 20 5 EGBDRO CC[C@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CCCCC1 ZINC000611433748 460364393 /nfs/dbraw/zinc/36/43/93/460364393.db2.gz PCPNZSAXDYIGNY-KRWDZBQOSA-N 1 0 345.443 3.432 20 5 EGBDRO O=C(CC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1)NC1CCCC1 ZINC000604415594 460423216 /nfs/dbraw/zinc/42/32/16/460423216.db2.gz ZXZZBLSCWSQCHY-UHFFFAOYSA-N 1 0 345.443 3.256 20 5 EGBDRO O=C(CC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1)NC1CCCC1 ZINC000604415714 460423951 /nfs/dbraw/zinc/42/39/51/460423951.db2.gz BPPYGQAOEYMWSL-UHFFFAOYSA-N 1 0 345.443 3.256 20 5 EGBDRO C[C@@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccsc1 ZINC000619746426 460429169 /nfs/dbraw/zinc/42/91/69/460429169.db2.gz UPKWWIIGHYUSKQ-ABAIWWIYSA-N 1 0 331.397 3.112 20 5 EGBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000604474200 460431142 /nfs/dbraw/zinc/43/11/42/460431142.db2.gz HJOLCBMMMAVKNQ-LLVKDONJSA-N 1 0 340.811 3.100 20 5 EGBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611709168 460435563 /nfs/dbraw/zinc/43/55/63/460435563.db2.gz OBUMEUJFLIPPEI-HZSPNIEDSA-N 1 0 343.431 3.316 20 5 EGBDRO CCOC(=O)CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)CC1CC1 ZINC000611775544 460459883 /nfs/dbraw/zinc/45/98/83/460459883.db2.gz RHEMCCLSXQHIKM-UHFFFAOYSA-N 1 0 340.807 3.413 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCn1ccc(C(F)(F)F)n1 ZINC000601963023 460963585 /nfs/dbraw/zinc/96/35/85/460963585.db2.gz IUXNAKJLSHEWGK-NSHDSACASA-N 1 0 342.321 3.469 20 5 EGBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000242287967 524577559 /nfs/dbraw/zinc/57/75/59/524577559.db2.gz YJWZLCFGMSIETQ-INMHGKMJSA-N 1 0 345.443 3.001 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3CC[C@H](CO)CC3)o2)cc1 ZINC000153155836 534881373 /nfs/dbraw/zinc/88/13/73/534881373.db2.gz DELPZUJCOVNOOM-OTVXOJSOSA-N 1 0 330.384 3.496 20 5 EGBDRO CCC[C@H]1C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CCO1 ZINC000132257704 528399291 /nfs/dbraw/zinc/39/92/91/528399291.db2.gz BZLIODBCZCSRAA-INIZCTEOSA-N 1 0 345.399 3.293 20 5 EGBDRO CCOC1CC(CC[NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000189259277 528495646 /nfs/dbraw/zinc/49/56/46/528495646.db2.gz ZHLRLXPLBVHZDR-CBCUQQMYSA-N 1 0 349.431 3.107 20 5 EGBDRO CCOc1ccc([C@@H](C)[NH2+]CCCc2c[nH]nc2C)cc1[N+](=O)[O-] ZINC000152819222 528594991 /nfs/dbraw/zinc/59/49/91/528594991.db2.gz HMSCELNJJRXYBD-GFCCVEGCSA-N 1 0 332.404 3.308 20 5 EGBDRO CCN(Cc1ccccc1)C(=O)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000178649957 528822913 /nfs/dbraw/zinc/82/29/13/528822913.db2.gz OUSYPJJOQMYQQQ-OAHLLOKOSA-N 1 0 341.411 3.294 20 5 EGBDRO CCN(Cc1ccccc1)C(=O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000178649936 528823746 /nfs/dbraw/zinc/82/37/46/528823746.db2.gz OUSYPJJOQMYQQQ-HNNXBMFYSA-N 1 0 341.411 3.294 20 5 EGBDRO CCC[C@@H]([NH2+]CC1(N(C)C)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000168310583 529005269 /nfs/dbraw/zinc/00/52/69/529005269.db2.gz WMCXUGLDDLDHBX-QGZVFWFLSA-N 1 0 335.448 3.136 20 5 EGBDRO CC[C@@H]([NH2+][C@@H](C)C(=O)N1CCCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000178675808 529198686 /nfs/dbraw/zinc/19/86/86/529198686.db2.gz HAOHZXXOTOELFW-WMLDXEAASA-N 1 0 333.432 3.427 20 5 EGBDRO C[N@H+](CCC(=O)Nc1ccc(F)cc1)CCc1cccc([N+](=O)[O-])c1 ZINC000338366435 536306830 /nfs/dbraw/zinc/30/68/30/536306830.db2.gz XOVSKHDUMNJUPL-UHFFFAOYSA-N 1 0 345.374 3.237 20 5 EGBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000172843911 536403692 /nfs/dbraw/zinc/40/36/92/536403692.db2.gz IPBUOHGMYMEATO-AWEZNQCLSA-N 1 0 339.823 3.195 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1OC ZINC000237223843 536502639 /nfs/dbraw/zinc/50/26/39/536502639.db2.gz QBZKQJCACRTJCB-CYBMUJFWSA-N 1 0 330.384 3.333 20 5 EGBDRO CC[C@@H]([NH2+]CCC(=O)NC1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000128734572 546781515 /nfs/dbraw/zinc/78/15/15/546781515.db2.gz HDRUNOXTJUZCQH-QGZVFWFLSA-N 1 0 333.432 3.475 20 5 EGBDRO CC[C@@H](C)[C@H]1CCCC[N@@H+]1Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000738059188 574598400 /nfs/dbraw/zinc/59/84/00/574598400.db2.gz WTUUZZWYXCJRFW-TZMCWYRMSA-N 1 0 333.388 3.361 20 5 EGBDRO CC(C)Oc1ccccc1C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000731678058 575199277 /nfs/dbraw/zinc/19/92/77/575199277.db2.gz GAJVCZOOIZKCJG-KRWDZBQOSA-N 1 0 330.384 3.205 20 5 EGBDRO C[NH+](C)C1(CNc2cccc(F)c2[N+](=O)[O-])Cc2ccccc2C1 ZINC000742413308 576781419 /nfs/dbraw/zinc/78/14/19/576781419.db2.gz WGBVWFVVVPMPTN-UHFFFAOYSA-N 1 0 329.375 3.245 20 5 EGBDRO CC[NH+]1CCN(c2ccc(Nc3ncc(C)cc3[N+](=O)[O-])cc2)CC1 ZINC000742428861 576783572 /nfs/dbraw/zinc/78/35/72/576783572.db2.gz SWXZIOAFAGVDQY-UHFFFAOYSA-N 1 0 341.415 3.184 20 5 EGBDRO CCC[C@H]1[C@H](C)CCC[N@@H+]1Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000743379662 576807655 /nfs/dbraw/zinc/80/76/55/576807655.db2.gz AIKJHSIXDUTHQO-OCCSQVGLSA-N 1 0 333.388 3.361 20 5 EGBDRO C[NH+](C)CCN(C(=O)c1cccc(Cl)c1[N+](=O)[O-])C1CCCC1 ZINC000081551921 1292662734 /nfs/dbraw/zinc/66/27/34/1292662734.db2.gz ZCBWDADZZCXQQP-UHFFFAOYSA-N 1 0 339.823 3.195 20 5 EGBDRO COCC[N@H+](Cc1c2ccccc2cc2ccccc21)[C@@H](C)C(N)=O ZINC000093138416 1292909088 /nfs/dbraw/zinc/90/90/88/1292909088.db2.gz FDXZVEKJVLFVIS-HNNXBMFYSA-N 1 0 336.435 3.315 20 5 EGBDRO CO[C@@](C)(C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccccc1 ZINC000834885495 1293163425 /nfs/dbraw/zinc/16/34/25/1293163425.db2.gz WWAANHHFPZVSEH-UGSOOPFHSA-N 1 0 329.400 3.389 20 5 EGBDRO COC(C)(C)C[C@@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000122096678 1293401483 /nfs/dbraw/zinc/40/14/83/1293401483.db2.gz BAEZWFVPFXQWBJ-CQSZACIVSA-N 1 0 335.448 3.357 20 5 EGBDRO CN(Cc1nc2ccccc2s1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000136893653 1293824104 /nfs/dbraw/zinc/82/41/04/1293824104.db2.gz XXGLCWJOBAYWGZ-OAHLLOKOSA-N 1 0 343.408 3.370 20 5 EGBDRO Cc1cc(F)cc(C(=O)NCc2ccccc2C[NH+](C)C)c1[N+](=O)[O-] ZINC000176771711 1294629360 /nfs/dbraw/zinc/62/93/60/1294629360.db2.gz GZJRIICCDARSDL-UHFFFAOYSA-N 1 0 345.374 3.034 20 5 EGBDRO [NH3+][C@H]1C[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)C1 ZINC000870972252 1296161511 /nfs/dbraw/zinc/16/15/11/1296161511.db2.gz BPZQAFASBGBXKQ-HAQNSBGRSA-N 1 0 349.456 3.097 20 5 EGBDRO CSc1ccc(-c2nc(C3C[C@H]4CC[C@@H](C3)[NH2+]4)no2)cc1[N+](=O)[O-] ZINC000871793586 1296534833 /nfs/dbraw/zinc/53/48/33/1296534833.db2.gz WYURLVKUCBIOLI-YOGCLGLASA-N 1 0 346.412 3.365 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000872022699 1296666940 /nfs/dbraw/zinc/66/69/40/1296666940.db2.gz YPFGQZGCSLZPDH-QWHCGFSZSA-N 1 0 335.473 3.452 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](C)Cc1cnn(C)c1 ZINC000872076669 1296721228 /nfs/dbraw/zinc/72/12/28/1296721228.db2.gz PLBCYLJEGUVQHT-VXGBXAGGSA-N 1 0 334.445 3.332 20 5 EGBDRO Cc1c(C[NH2+]C[C@H](c2ccco2)N2CCCC2)cccc1[N+](=O)[O-] ZINC000873007631 1297220113 /nfs/dbraw/zinc/22/01/13/1297220113.db2.gz XMVJGPZDHCIGAC-QGZVFWFLSA-N 1 0 329.400 3.423 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H](O)Cc1cccc(F)c1 ZINC000873130051 1297287132 /nfs/dbraw/zinc/28/71/32/1297287132.db2.gz YHMDEVFMAZWEGW-MRXNPFEDSA-N 1 0 332.375 3.044 20 5 EGBDRO CCCN(Cc1ccc(OC)cc1)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000746039598 1298516286 /nfs/dbraw/zinc/51/62/86/1298516286.db2.gz XXPLUJZCCUGJBR-UHFFFAOYSA-N 1 0 332.404 3.286 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H](O)c3ccco3)o2)cc1 ZINC000747099154 1298726039 /nfs/dbraw/zinc/72/60/39/1298726039.db2.gz UMYRTHPTWFQXDZ-HNNXBMFYSA-N 1 0 328.324 3.271 20 5 EGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]CCc1cccnc1 ZINC000876922492 1299068204 /nfs/dbraw/zinc/06/82/04/1299068204.db2.gz AXRKVKZPVVERAZ-UHFFFAOYSA-N 1 0 325.290 3.341 20 5 EGBDRO C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccc(N2CCOC2=O)cc1 ZINC000748819343 1299085539 /nfs/dbraw/zinc/08/55/39/1299085539.db2.gz FPKWJTIZCYFMPH-ZDUSSCGKSA-N 1 0 341.367 3.402 20 5 EGBDRO O=[N+]([O-])c1c(NC2CC[NH+](C3CCCC3)CC2)nc2ccccn21 ZINC000749104384 1299142182 /nfs/dbraw/zinc/14/21/82/1299142182.db2.gz QFTMDPTZUMFYIV-UHFFFAOYSA-N 1 0 329.404 3.061 20 5 EGBDRO C[C@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])[C@H](O)c1cccc(F)c1 ZINC000749119438 1299146479 /nfs/dbraw/zinc/14/64/79/1299146479.db2.gz SFUNDJLHEONLEG-GJUQAPNCSA-N 1 0 330.359 3.459 20 5 EGBDRO C[C@@H]1CCC[N@@H+]1CCNCc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000877153070 1299185995 /nfs/dbraw/zinc/18/59/95/1299185995.db2.gz FAECTZCCVCKQIW-LLVKDONJSA-N 1 0 331.338 3.188 20 5 EGBDRO Cc1ccc([C@@H](CNC(=O)c2cc(F)ccc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000751380498 1299544580 /nfs/dbraw/zinc/54/45/80/1299544580.db2.gz BWOOHEINUAIMER-QGZVFWFLSA-N 1 0 345.374 3.075 20 5 EGBDRO C[C@@H]1CCC[C@@H]([N@H+](C)CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)C1 ZINC000752787092 1299794565 /nfs/dbraw/zinc/79/45/65/1299794565.db2.gz XVNIARIJKBBJLI-HUUCEWRRSA-N 1 0 346.431 3.305 20 5 EGBDRO CC(C)C[C@H]1CC[N@H+](CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)C1 ZINC000752791455 1299796035 /nfs/dbraw/zinc/79/60/35/1299796035.db2.gz GQOVNCFRWQNNIX-OAHLLOKOSA-N 1 0 346.431 3.162 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000754452665 1300146231 /nfs/dbraw/zinc/14/62/31/1300146231.db2.gz HIZIOTWVLRRZQX-CYBMUJFWSA-N 1 0 334.420 3.208 20 5 EGBDRO C[N@H+](C1CCCC1)C(C)(C)C(=O)OCCc1ccc([N+](=O)[O-])cc1 ZINC000754869433 1300233691 /nfs/dbraw/zinc/23/36/91/1300233691.db2.gz AEGCISIUODGXLU-UHFFFAOYSA-N 1 0 334.416 3.334 20 5 EGBDRO C[C@H](C(=O)NCc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000757423415 1300670191 /nfs/dbraw/zinc/67/01/91/1300670191.db2.gz DJHCNPLUCLFVCI-GRYCIOLGSA-N 1 0 339.823 3.126 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880203847 1300982499 /nfs/dbraw/zinc/98/24/99/1300982499.db2.gz NNVCZHKSXURDRT-WBVHZDCISA-N 1 0 347.459 3.197 20 5 EGBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@H](CF)C1 ZINC000880235061 1300997002 /nfs/dbraw/zinc/99/70/02/1300997002.db2.gz XRKNAURDPQGTRX-VXGBXAGGSA-N 1 0 334.351 3.387 20 5 EGBDRO C[N@H+](Cc1cccc([N+](=O)[O-])c1)CC(C)(C)NC(=O)OC(C)(C)C ZINC000761191886 1301417196 /nfs/dbraw/zinc/41/71/96/1301417196.db2.gz ZJJFSFXTBGPNPF-UHFFFAOYSA-N 1 0 337.420 3.330 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](CO)Cc2ccccc2)cc1Cl ZINC000761521629 1301490778 /nfs/dbraw/zinc/49/07/78/1301490778.db2.gz JJZXWBHNIXYGJD-HNNXBMFYSA-N 1 0 334.803 3.189 20 5 EGBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC(C2CCCCC2)CC1 ZINC000761648896 1301516920 /nfs/dbraw/zinc/51/69/20/1301516920.db2.gz OQVSOGSSHFKOGY-UHFFFAOYSA-N 1 0 333.432 3.049 20 5 EGBDRO C[N@@H+]1CCCC[C@@H]1CCOC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000763719177 1301949930 /nfs/dbraw/zinc/94/99/30/1301949930.db2.gz GSVAWWKCJMEXEA-GFCCVEGCSA-N 1 0 326.780 3.279 20 5 EGBDRO Cc1ccc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC000765039088 1302188281 /nfs/dbraw/zinc/18/82/81/1302188281.db2.gz UVNOWSZBZITYDT-UHFFFAOYSA-N 1 0 326.400 3.057 20 5 EGBDRO CC[NH+](CC)C[C@@H](C)Nc1cc(Cl)c(C(=O)OC)cc1[N+](=O)[O-] ZINC000765475496 1302270633 /nfs/dbraw/zinc/27/06/33/1302270633.db2.gz WGSGISSICWRYML-SNVBAGLBSA-N 1 0 343.811 3.177 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000765661422 1302297293 /nfs/dbraw/zinc/29/72/93/1302297293.db2.gz GMYADZKKSLUUSF-OAHLLOKOSA-N 1 0 332.404 3.042 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H]2CCSc3ccccc32)cc1 ZINC000765846178 1302338449 /nfs/dbraw/zinc/33/84/49/1302338449.db2.gz UNZWCWOVXUZXSS-JKSUJKDBSA-N 1 0 330.409 3.455 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CC3CCSCC3)CC2)cc1 ZINC000765968673 1302358091 /nfs/dbraw/zinc/35/80/91/1302358091.db2.gz IUKVUVCHKUBMQQ-UHFFFAOYSA-N 1 0 335.473 3.296 20 5 EGBDRO CC(C)CNC(=O)C1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000768232507 1302861473 /nfs/dbraw/zinc/86/14/73/1302861473.db2.gz CQIBMNFPUUQXLO-ALCCZGGFSA-N 1 0 345.443 3.092 20 5 EGBDRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1c1nccc2cc([N+](=O)[O-])ccc21 ZINC000884853787 1303000569 /nfs/dbraw/zinc/00/05/69/1303000569.db2.gz WMOWVALROCUPII-CQSZACIVSA-N 1 0 349.394 3.253 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CC[C@H](c3c(F)cccc3F)C2)cc1 ZINC000769225505 1303076227 /nfs/dbraw/zinc/07/62/27/1303076227.db2.gz OVWHDHXVGVHXNZ-GUYCJALGSA-N 1 0 348.349 3.396 20 5 EGBDRO CC[C@@H]([NH2+]Cc1cccnc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 ZINC000886109135 1303357560 /nfs/dbraw/zinc/35/75/60/1303357560.db2.gz CJBHWBRYGMHKEX-CQSZACIVSA-N 1 0 329.356 3.002 20 5 EGBDRO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)CCO2 ZINC000772979137 1303600848 /nfs/dbraw/zinc/60/08/48/1303600848.db2.gz GULXVEPRLVCQPL-CYBMUJFWSA-N 1 0 328.368 3.259 20 5 EGBDRO CC(C)(C)SCC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000774239193 1303789683 /nfs/dbraw/zinc/78/96/83/1303789683.db2.gz KAVPUXMLUUTWAS-CHWSQXEVSA-N 1 0 326.466 3.396 20 5 EGBDRO CS[C@H]1CN(c2cc(C)c([N+](=O)[O-])cc2Cl)C[C@H]1[NH+](C)C ZINC000774536276 1303824060 /nfs/dbraw/zinc/82/40/60/1303824060.db2.gz LVQWQCLGOJXGOM-KGLIPLIRSA-N 1 0 329.853 3.038 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H](O)c2ccc(F)cc2Cl)cc1 ZINC000774610915 1303833533 /nfs/dbraw/zinc/83/35/33/1303833533.db2.gz HGYABMCBPRPHRD-MRXNPFEDSA-N 1 0 338.766 3.253 20 5 EGBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000775930313 1304063033 /nfs/dbraw/zinc/06/30/33/1304063033.db2.gz PXECRFASRPJNIB-INIZCTEOSA-N 1 0 349.431 3.330 20 5 EGBDRO COC(=O)[C@H]1CCCC[C@@]1(C)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000775993258 1304076212 /nfs/dbraw/zinc/07/62/12/1304076212.db2.gz RXWGCCTVRGEAOK-CZUORRHYSA-N 1 0 340.807 3.460 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CC[C@H](c3ccccc3F)C2)cc1 ZINC000776582295 1304174682 /nfs/dbraw/zinc/17/46/82/1304174682.db2.gz OKWGXNVQEXCLQL-KBXCAEBGSA-N 1 0 330.359 3.257 20 5 EGBDRO C[N@H+](CCc1ccc(Cl)cc1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776585626 1304174688 /nfs/dbraw/zinc/17/46/88/1304174688.db2.gz YHZRHJUZXHYXAX-KRWDZBQOSA-N 1 0 334.803 3.456 20 5 EGBDRO COc1ccccc1[C@@H]1CCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776581831 1304174841 /nfs/dbraw/zinc/17/48/41/1304174841.db2.gz MXDWPELDJLJYNF-ROUUACIJSA-N 1 0 342.395 3.474 20 5 EGBDRO Cc1cccnc1[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000776592325 1304177583 /nfs/dbraw/zinc/17/75/83/1304177583.db2.gz LCODBRAAZWKSGD-DLBZAZTESA-N 1 0 329.400 3.319 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC(C)(C)C[NH+]2CCCC2)c1C ZINC000890197644 1304704967 /nfs/dbraw/zinc/70/49/67/1304704967.db2.gz NMFSBKDLZLGKRX-UHFFFAOYSA-N 1 0 333.432 3.063 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)c1C ZINC000890310036 1304746601 /nfs/dbraw/zinc/74/66/01/1304746601.db2.gz SVHKQYILKMMZGH-OAHLLOKOSA-N 1 0 333.432 3.062 20 5 EGBDRO C[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1cncc(F)c1 ZINC000781917429 1304891077 /nfs/dbraw/zinc/89/10/77/1304891077.db2.gz FOSNOWRWZPXQBP-ZDUSSCGKSA-N 1 0 344.390 3.449 20 5 EGBDRO CC(C)(C)OC(=O)NC1(C)CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000781976990 1304898516 /nfs/dbraw/zinc/89/85/16/1304898516.db2.gz PRBWTFXFAYXOCG-UHFFFAOYSA-N 1 0 349.431 3.474 20 5 EGBDRO C[C@H](Cc1ccsc1)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000783378808 1305084454 /nfs/dbraw/zinc/08/44/54/1305084454.db2.gz MZHQVDXESMFRJU-CQSZACIVSA-N 1 0 331.441 3.410 20 5 EGBDRO C[C@@H](Cc1ccsc1)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000783378807 1305085045 /nfs/dbraw/zinc/08/50/45/1305085045.db2.gz MZHQVDXESMFRJU-AWEZNQCLSA-N 1 0 331.441 3.410 20 5 EGBDRO Cn1nccc1[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000783539857 1305104812 /nfs/dbraw/zinc/10/48/12/1305104812.db2.gz MJEIQNWAHUJVMC-ZDUSSCGKSA-N 1 0 334.807 3.361 20 5 EGBDRO C[C@H](CNC(=O)OC(C)(C)C)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783676526 1305127228 /nfs/dbraw/zinc/12/72/28/1305127228.db2.gz LQFGUDLUPKRDCX-SNVBAGLBSA-N 1 0 343.811 3.251 20 5 EGBDRO COc1c(O)ccc(C[NH2+]Cc2ccc(OC(C)C)cc2)c1[N+](=O)[O-] ZINC000892544092 1305433373 /nfs/dbraw/zinc/43/33/73/1305433373.db2.gz CAPVRSWHQIKYJG-UHFFFAOYSA-N 1 0 346.383 3.386 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1COC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000786881482 1305646802 /nfs/dbraw/zinc/64/68/02/1305646802.db2.gz NIPYKFDLWJXZAI-INIZCTEOSA-N 1 0 348.399 3.054 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@@H]1CCOC2(CCOCC2)C1 ZINC000893135615 1305726533 /nfs/dbraw/zinc/72/65/33/1305726533.db2.gz NWPVDEASLIEWAH-CQSZACIVSA-N 1 0 340.807 3.066 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@H]1CCO[C@]2(CCSC2)C1 ZINC000893133846 1305726539 /nfs/dbraw/zinc/72/65/39/1305726539.db2.gz GINMRDVXNSIUHR-DZGCQCFKSA-N 1 0 342.848 3.393 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000787406551 1305742112 /nfs/dbraw/zinc/74/21/12/1305742112.db2.gz PXLAHPKUEKJSCT-HFQYIWAZSA-N 1 0 332.400 3.083 20 5 EGBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OCCC[NH+]1CCCC1 ZINC000787980822 1305837645 /nfs/dbraw/zinc/83/76/45/1305837645.db2.gz RSSCTVLOTIWNOE-ZDUSSCGKSA-N 1 0 338.429 3.105 20 5 EGBDRO CCN(CCC[NH+](CC)CC)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000788539181 1305966038 /nfs/dbraw/zinc/96/60/38/1305966038.db2.gz MQGPRDUCTWRKQT-JLHYYAGUSA-N 1 0 333.432 3.188 20 5 EGBDRO C[C@@H](NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788561128 1305970028 /nfs/dbraw/zinc/97/00/28/1305970028.db2.gz FNVWOPDGMKYCPT-HBUWYVDXSA-N 1 0 334.464 3.338 20 5 EGBDRO Cc1nn(C(C)C)c(C)c1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000894078718 1306205452 /nfs/dbraw/zinc/20/54/52/1306205452.db2.gz LNRNXNQWKBCKTK-UHFFFAOYSA-N 1 0 346.435 3.023 20 5 EGBDRO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)c1F ZINC000790247567 1306281571 /nfs/dbraw/zinc/28/15/71/1306281571.db2.gz TTWRXVZHLPSHCA-CHWSQXEVSA-N 1 0 337.395 3.035 20 5 EGBDRO Cc1ccc(N2CC[C@H]([NH2+]Cc3cccc([N+](=O)[O-])c3C)C2=O)cc1 ZINC000790540979 1306349302 /nfs/dbraw/zinc/34/93/02/1306349302.db2.gz AAVXOZQXJGMGDT-KRWDZBQOSA-N 1 0 339.395 3.107 20 5 EGBDRO CN1CCCC(C)(C)[C@H]1C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000790928947 1308889109 /nfs/dbraw/zinc/88/91/09/1308889109.db2.gz ZKLZUFXZFUDSAI-OAHLLOKOSA-N 1 0 325.840 3.458 20 5 EGBDRO COc1c(O)ccc(C[NH2+]CC[C@]2(C)CC2(Cl)Cl)c1[N+](=O)[O-] ZINC000894741287 1309045954 /nfs/dbraw/zinc/04/59/54/1309045954.db2.gz FJFZDRGRYZZVND-CYBMUJFWSA-N 1 0 349.214 3.373 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C[C@@H](CO)c1ccc(F)cc1 ZINC000894914777 1309126757 /nfs/dbraw/zinc/12/67/57/1309126757.db2.gz YGFLHRCLPCDDIN-ZDUSSCGKSA-N 1 0 338.766 3.253 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)OC(=O)c1ccc2c[nH+]cn2c1 ZINC000792549612 1309183336 /nfs/dbraw/zinc/18/33/36/1309183336.db2.gz LJRDRNLRWXBYIV-GFCCVEGCSA-N 1 0 325.324 3.469 20 5 EGBDRO O=C(NCCC[NH2+]C1CCCCC1)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000895129765 1309202174 /nfs/dbraw/zinc/20/21/74/1309202174.db2.gz FWWOGNFCFQDTRY-ROUUACIJSA-N 1 0 345.443 3.127 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2C[C@@H]3[C@H](O)CC[C@@H]3C2)o1 ZINC000895784358 1309518653 /nfs/dbraw/zinc/51/86/53/1309518653.db2.gz FVBKYPAMNUAZEQ-ISTRZQFTSA-N 1 0 328.368 3.058 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H](C)NC(=O)OC(C)(C)C ZINC000794824650 1309603515 /nfs/dbraw/zinc/60/35/15/1309603515.db2.gz LDFBVSDCLHDLII-STQMWFEESA-N 1 0 337.420 3.467 20 5 EGBDRO CCC(=O)c1ccc(N2CC[C@@H](C[N@H+](C)CC3CC3)C2)c([N+](=O)[O-])c1 ZINC000795106846 1309670242 /nfs/dbraw/zinc/67/02/42/1309670242.db2.gz WAMNYCLSKPNLMM-HNNXBMFYSA-N 1 0 345.443 3.356 20 5 EGBDRO Cc1ccc(N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000795211461 1309697449 /nfs/dbraw/zinc/69/74/49/1309697449.db2.gz YUNHDLLDDXEYHE-HDICACEKSA-N 1 0 337.423 3.471 20 5 EGBDRO Cc1nn(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3CCC[C@@H]32)cc1[N+](=O)[O-] ZINC000795682987 1309806914 /nfs/dbraw/zinc/80/69/14/1309806914.db2.gz ZLRGCUVRUOLZIE-BBWFWOEESA-N 1 0 326.400 3.325 20 5 EGBDRO CC[NH+]1CCC(CCNC(=O)c2c(C)c(C)ccc2[N+](=O)[O-])CC1 ZINC000896679555 1309972364 /nfs/dbraw/zinc/97/23/64/1309972364.db2.gz LWYZEWBZAPFPRP-UHFFFAOYSA-N 1 0 333.432 3.063 20 5 EGBDRO C[N@@H+]1CCCC[C@H]1CCOC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000796442700 1310000376 /nfs/dbraw/zinc/00/03/76/1310000376.db2.gz GWAFNMKXDPAWEG-AWEZNQCLSA-N 1 0 334.416 3.290 20 5 EGBDRO CC[N@@H+](CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])CC1CCC1 ZINC000796532277 1310022696 /nfs/dbraw/zinc/02/26/96/1310022696.db2.gz BYMSKKHVOWIKIQ-UHFFFAOYSA-N 1 0 325.796 3.309 20 5 EGBDRO CC(C)NC(=O)OC[C@@H]1CCCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000796705474 1310068822 /nfs/dbraw/zinc/06/88/22/1310068822.db2.gz SDIDEUCBKBIZEO-KRWDZBQOSA-N 1 0 349.431 3.126 20 5 EGBDRO CC(C)NC(=O)OC[C@H]1CCCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000796705476 1310069131 /nfs/dbraw/zinc/06/91/31/1310069131.db2.gz SDIDEUCBKBIZEO-QGZVFWFLSA-N 1 0 349.431 3.126 20 5 EGBDRO Cc1cc(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc(Cl)n1 ZINC000797589195 1310215695 /nfs/dbraw/zinc/21/56/95/1310215695.db2.gz WNSUHDMKUQQVMB-UHFFFAOYSA-N 1 0 346.818 3.274 20 5 EGBDRO C[C@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C[C@@H]1O ZINC000897684664 1310433942 /nfs/dbraw/zinc/43/39/42/1310433942.db2.gz UVGJVWYFYAXGMS-BONVTDFDSA-N 1 0 336.775 3.321 20 5 EGBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CC[C@@H](c3ccccn3)C2)cc1 ZINC000799195596 1310509339 /nfs/dbraw/zinc/50/93/39/1310509339.db2.gz FCUZRYOICVYSRX-OAHLLOKOSA-N 1 0 327.384 3.248 20 5 EGBDRO O=C(OCCC[NH+]1CCCCC1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000800195017 1310698718 /nfs/dbraw/zinc/69/87/18/1310698718.db2.gz AGCLACUSEBIUAJ-UHFFFAOYSA-N 1 0 342.342 3.106 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+]CCOC2CCSCC2)c(Cl)c1 ZINC000898439644 1310735077 /nfs/dbraw/zinc/73/50/77/1310735077.db2.gz KGANIBMNAUMDKW-UHFFFAOYSA-N 1 0 330.837 3.250 20 5 EGBDRO CC[N@@H+](Cc1cccc([N+](=O)[O-])c1Br)C[C@H]1CCOC1 ZINC000839464144 1320925430 /nfs/dbraw/zinc/92/54/30/1320925430.db2.gz CVFAQDABJAQLAC-LLVKDONJSA-N 1 0 343.221 3.216 20 5 EGBDRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000857303618 1328527132 /nfs/dbraw/zinc/52/71/32/1328527132.db2.gz XZKPYYPYSDXUGA-LLVKDONJSA-N 1 0 339.823 3.098 20 5 EGBDRO Cc1c(NC(=O)N2CCC([NH2+]C3CCC3)CC2)cccc1[N+](=O)[O-] ZINC000929223012 1328541357 /nfs/dbraw/zinc/54/13/57/1328541357.db2.gz NMUMHBMXUUERII-UHFFFAOYSA-N 1 0 332.404 3.042 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)C1CC[NH+](C2CC2)CC1 ZINC000801875714 1316960095 /nfs/dbraw/zinc/96/00/95/1316960095.db2.gz SQJRJEXPZYKXRD-ZDUSSCGKSA-N 1 0 332.400 3.382 20 5 EGBDRO O=[N+]([O-])c1cccc([N+](=O)[O-])c1NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000804324488 1317218530 /nfs/dbraw/zinc/21/85/30/1317218530.db2.gz HDHARKYDGJQOHF-AWEZNQCLSA-N 1 0 346.343 3.345 20 5 EGBDRO C[C@@H](Nc1ccc([N+](=O)[O-])c2nonc21)[C@@H](c1ccccc1)[NH+](C)C ZINC000804680029 1317273683 /nfs/dbraw/zinc/27/36/83/1317273683.db2.gz SYGLDSYCWXYWKJ-DIFFPNOSSA-N 1 0 341.371 3.234 20 5 EGBDRO [NH3+]C[C@@]12CC[C@H]1CCN2c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000900453128 1317290645 /nfs/dbraw/zinc/29/06/45/1317290645.db2.gz XNXWFARZGBFPKR-UGSOOPFHSA-N 1 0 342.374 3.114 20 5 EGBDRO CC[NH+](CC)CCCCNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000900688285 1317324292 /nfs/dbraw/zinc/32/42/92/1317324292.db2.gz FZRQWIXJOIUVIV-UHFFFAOYSA-N 1 0 345.802 3.239 20 5 EGBDRO CCCN(CC[NH+]1CCCC1)C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000807689636 1317578180 /nfs/dbraw/zinc/57/81/80/1317578180.db2.gz JDWRFGIVUBSGSV-UHFFFAOYSA-N 1 0 339.823 3.196 20 5 EGBDRO CCN(C(=O)C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccccc1 ZINC000903195330 1317670886 /nfs/dbraw/zinc/67/08/86/1317670886.db2.gz RXKTYHBZOWFQMK-QGZVFWFLSA-N 1 0 339.395 3.225 20 5 EGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1ccc2c(c1)ncn2C ZINC000903203523 1317674176 /nfs/dbraw/zinc/67/41/76/1317674176.db2.gz UYZHRSQKEXVMFU-LBPRGKRZSA-N 1 0 342.374 3.341 20 5 EGBDRO CC1(C)C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)Cc2ccccc2O1 ZINC000808791240 1317734796 /nfs/dbraw/zinc/73/47/96/1317734796.db2.gz ONCBVRYSOPTBOJ-KRWDZBQOSA-N 1 0 342.395 3.301 20 5 EGBDRO [NH3+]CCN(Cc1ccc(OCC2CC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000809734872 1317882793 /nfs/dbraw/zinc/88/27/93/1317882793.db2.gz MXPORANBMBKDRD-UHFFFAOYSA-N 1 0 341.411 3.349 20 5 EGBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000810235028 1317982673 /nfs/dbraw/zinc/98/26/73/1317982673.db2.gz KHCSSCRRBYJLDG-NSHDSACASA-N 1 0 342.827 3.490 20 5 EGBDRO C[C@@H]([NH2+][C@@H](C)C(=O)NCCc1cccs1)c1ccc([N+](=O)[O-])cc1 ZINC000905854426 1318008783 /nfs/dbraw/zinc/00/87/83/1318008783.db2.gz WJHVWXWFBWDAFJ-OLZOCXBDSA-N 1 0 347.440 3.054 20 5 EGBDRO C[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)NCc1cccs1 ZINC000905855055 1318008826 /nfs/dbraw/zinc/00/88/26/1318008826.db2.gz ZNJVTSNTVZUOJU-VXGBXAGGSA-N 1 0 333.413 3.012 20 5 EGBDRO CC(C)(C(=O)O[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000810845767 1318063339 /nfs/dbraw/zinc/06/33/39/1318063339.db2.gz VSTTUARFWBHSRD-CVEARBPZSA-N 1 0 332.400 3.042 20 5 EGBDRO C[C@H]1CC[N@H+](CCNCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000811487235 1318184119 /nfs/dbraw/zinc/18/41/19/1318184119.db2.gz VCTMGWWCENXNQC-JTQLQIEISA-N 1 0 332.231 3.333 20 5 EGBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])[C@H]1OC ZINC000811491117 1318184580 /nfs/dbraw/zinc/18/45/80/1318184580.db2.gz ZOGFRLXCAFUGSX-YRGRVCCFSA-N 1 0 349.214 3.184 20 5 EGBDRO CC1(CC[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])OCCO1 ZINC000811491032 1318185260 /nfs/dbraw/zinc/18/52/60/1318185260.db2.gz YCHLKFHMUWSUJA-UHFFFAOYSA-N 1 0 335.187 3.144 20 5 EGBDRO C[NH+](C)CCOc1ccccc1CNc1cccc(F)c1[N+](=O)[O-] ZINC000811781536 1318263392 /nfs/dbraw/zinc/26/33/92/1318263392.db2.gz DIYSKWWQAKNELQ-UHFFFAOYSA-N 1 0 333.363 3.286 20 5 EGBDRO CSC1(CNc2cc([N+](=O)[O-])ccc2C(C)=O)CC[NH+](C)CC1 ZINC000811853619 1318279316 /nfs/dbraw/zinc/27/93/16/1318279316.db2.gz GUEWZHZBHWVZHN-UHFFFAOYSA-N 1 0 337.445 3.037 20 5 EGBDRO CCCN(CC[NH+](C)C)C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000813017969 1318489579 /nfs/dbraw/zinc/48/95/79/1318489579.db2.gz SFQBHUHDQOLURG-UHFFFAOYSA-N 1 0 348.230 3.315 20 5 EGBDRO C[N@H+](CCCNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000912927188 1318954184 /nfs/dbraw/zinc/95/41/84/1318954184.db2.gz DLXXWRJUZMLFAX-RAXLEYEMSA-N 1 0 345.443 3.379 20 5 EGBDRO CCC(=O)Nc1cccc(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000815560845 1319015883 /nfs/dbraw/zinc/01/58/83/1319015883.db2.gz RQXDFBUMQIQNNG-GFCCVEGCSA-N 1 0 342.399 3.376 20 5 EGBDRO C[C@@H]([NH2+]CC[C@@H]1COc2ccccc2O1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815597104 1319024197 /nfs/dbraw/zinc/02/41/97/1319024197.db2.gz MKBPFELWRPMSPX-TZMCWYRMSA-N 1 0 343.383 3.058 20 5 EGBDRO COCC[C@@H](Cc1ccco1)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815615588 1319029261 /nfs/dbraw/zinc/02/92/61/1319029261.db2.gz SGZGQQGYTYKVBP-OCCSQVGLSA-N 1 0 333.388 3.068 20 5 EGBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000816925047 1319249448 /nfs/dbraw/zinc/24/94/48/1319249448.db2.gz DRGCDIYARIJYTP-LBPRGKRZSA-N 1 0 339.823 3.243 20 5 EGBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1ccc([C@H](C)[NH3+])cc1)CC2 ZINC000817998812 1319488107 /nfs/dbraw/zinc/48/81/07/1319488107.db2.gz JSTRTQNMQGXVKV-LBPRGKRZSA-N 1 0 325.368 3.126 20 5 EGBDRO COc1ccccc1C(C)(C)C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000818985353 1319604873 /nfs/dbraw/zinc/60/48/73/1319604873.db2.gz RLIZPPYARMZCIO-QGZVFWFLSA-N 1 0 344.411 3.204 20 5 EGBDRO Cc1ccc2c(CC[NH2+]C[C@H](O)c3ccc([N+](=O)[O-])cc3)c[nH]c2c1 ZINC000818989207 1319607714 /nfs/dbraw/zinc/60/77/14/1319607714.db2.gz IRDBEBOQCNUCGV-IBGZPJMESA-N 1 0 339.395 3.250 20 5 EGBDRO CC(C)(C)c1csc(CC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000819017225 1319614174 /nfs/dbraw/zinc/61/41/74/1319614174.db2.gz DXRIEMPDJWDQTC-CQSZACIVSA-N 1 0 349.456 3.215 20 5 EGBDRO CC(C)(C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000819079387 1319629611 /nfs/dbraw/zinc/62/96/11/1319629611.db2.gz DBYQFOCTFXBMTN-KRWDZBQOSA-N 1 0 332.375 3.335 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CC2(c3cccc(F)c3)CC2)cc1 ZINC000819091287 1319632140 /nfs/dbraw/zinc/63/21/40/1319632140.db2.gz CYXLFXIXVASWRK-KRWDZBQOSA-N 1 0 330.359 3.089 20 5 EGBDRO CSc1ccc(F)cc1C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819128493 1319641831 /nfs/dbraw/zinc/64/18/31/1319641831.db2.gz VHBKJHSFRWDUNR-OAHLLOKOSA-N 1 0 336.388 3.279 20 5 EGBDRO CC[C@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)Oc1ccccc1F ZINC000819134043 1319644625 /nfs/dbraw/zinc/64/46/25/1319644625.db2.gz DJEYBTAZCBRTQM-WBVHZDCISA-N 1 0 348.374 3.215 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CC2(Cc3ccc(F)cc3)CC2)c1 ZINC000819203148 1319666867 /nfs/dbraw/zinc/66/68/67/1319666867.db2.gz UVOYTSCZGTXZIF-SFHVURJKSA-N 1 0 344.386 3.380 20 5 EGBDRO C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)c2ccccc2O1 ZINC000819341882 1319703754 /nfs/dbraw/zinc/70/37/54/1319703754.db2.gz MLMSETHZFBWIPS-CSMYWGQOSA-N 1 0 328.368 3.130 20 5 EGBDRO COc1cccc([C@H]2C[C@H]([NH2+]C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)c1 ZINC000819352883 1319706537 /nfs/dbraw/zinc/70/65/37/1319706537.db2.gz SWIXRNUHAMDSJG-BXWFABGCSA-N 1 0 342.395 3.173 20 5 EGBDRO C[C@@H]1CCC[C@@H]([N@H+](C)Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000917427996 1319808913 /nfs/dbraw/zinc/80/89/13/1319808913.db2.gz DQKDSZNEQCMYLG-UKRRQHHQSA-N 1 0 329.404 3.321 20 5 EGBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC(NC(=O)OC(C)(C)C)C1 ZINC000824733246 1320280754 /nfs/dbraw/zinc/28/07/54/1320280754.db2.gz LVKDPJVPHWWMKY-UHFFFAOYSA-N 1 0 335.404 3.082 20 5 EGBDRO CC(C)(C)OC(=O)N1C[C@@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000825290403 1320324186 /nfs/dbraw/zinc/32/41/86/1320324186.db2.gz WMAGKTKGPNGUDI-GOEBONIOSA-N 1 0 347.415 3.036 20 5 EGBDRO Cc1cc(Cl)c(C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)cc1[N+](=O)[O-] ZINC000825669786 1320354395 /nfs/dbraw/zinc/35/43/95/1320354395.db2.gz AJFKPJNOWSZOIH-LBPRGKRZSA-N 1 0 339.823 3.159 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)cc1Cl ZINC000836740666 1320527875 /nfs/dbraw/zinc/52/78/75/1320527875.db2.gz WZIPHTUOECZEMP-RYUDHWBXSA-N 1 0 339.823 3.159 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C(=O)NCCCC[N@@H+](C)C2CC2)cc1Cl ZINC000837224883 1320588054 /nfs/dbraw/zinc/58/80/54/1320588054.db2.gz HBOCAZOEGSGXME-UHFFFAOYSA-N 1 0 339.823 3.161 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C(=O)NC(C)(C)C[NH+]2CCCC2)cc1Cl ZINC000839438750 1320920825 /nfs/dbraw/zinc/92/08/25/1320920825.db2.gz NASOQFPTBKOHOU-UHFFFAOYSA-N 1 0 339.823 3.161 20 5 EGBDRO [NH3+][C@@H]1CN(Cc2ccc([N+](=O)[O-])c(Cl)c2)C[C@H]1c1ccccc1F ZINC000841102947 1321218958 /nfs/dbraw/zinc/21/89/58/1321218958.db2.gz ALUYHLKZTAFMMV-XJKSGUPXSA-N 1 0 349.793 3.314 20 5 EGBDRO CCC[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H](O)c1ccccc1 ZINC000843089715 1321467740 /nfs/dbraw/zinc/46/77/40/1321467740.db2.gz RSZMRTPYQCGOLJ-GBESFXJTSA-N 1 0 344.411 3.120 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCC[C@H]2CC2(Cl)Cl)cc1 ZINC000844276591 1321584204 /nfs/dbraw/zinc/58/42/04/1321584204.db2.gz GWAYUIJEZFFFEM-AAEUAGOBSA-N 1 0 333.215 3.192 20 5 EGBDRO CSc1ccc(C(=O)OC[C@H]2CC[N@@H+]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000845740653 1321740273 /nfs/dbraw/zinc/74/02/73/1321740273.db2.gz QRNIZVPYPSXMQP-GFCCVEGCSA-N 1 0 338.429 3.346 20 5 EGBDRO C[C@H]1CCSCC[N@@H+]1Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000848484654 1321963450 /nfs/dbraw/zinc/96/34/50/1321963450.db2.gz BJXXCQXZMDUWBB-ZDUSSCGKSA-N 1 0 332.429 3.243 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1cnn(C[N@@H+]2CC[C@H](c3cccnc3)C2)c1 ZINC000848488214 1321965182 /nfs/dbraw/zinc/96/51/82/1321965182.db2.gz AAQRNAXCFHOGNC-INIZCTEOSA-N 1 0 349.394 3.300 20 5 EGBDRO CN(CCC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000848524642 1321968569 /nfs/dbraw/zinc/96/85/69/1321968569.db2.gz JZQLOJZUVIISLU-OAHLLOKOSA-N 1 0 349.431 3.429 20 5 EGBDRO COC(=O)Cc1ccccc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000848574057 1321978787 /nfs/dbraw/zinc/97/87/87/1321978787.db2.gz OIRINPVEAWCFRF-AWEZNQCLSA-N 1 0 342.395 3.470 20 5 EGBDRO C[C@@H](CNC(=S)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(C)CC1 ZINC000921268743 1322283175 /nfs/dbraw/zinc/28/31/75/1322283175.db2.gz KMUQDSMVYLDDDY-ZDUSSCGKSA-N 1 0 336.461 3.002 20 5 EGBDRO C[C@@H](NC(=O)NCC[C@H](C)[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000921935629 1322425892 /nfs/dbraw/zinc/42/58/92/1322425892.db2.gz YTEPUAZEHCTJDK-LSDHHAIUSA-N 1 0 348.447 3.220 20 5 EGBDRO CCN(C(=O)C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000922478761 1322537662 /nfs/dbraw/zinc/53/76/62/1322537662.db2.gz VLCOYWBBUAOXAR-UHFFFAOYSA-N 1 0 327.384 3.046 20 5 EGBDRO CCC[C@@H](O)CC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000922825535 1322627360 /nfs/dbraw/zinc/62/73/60/1322627360.db2.gz PJJGRHDKMOHULV-OAHLLOKOSA-N 1 0 335.429 3.359 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cc(C2CC2)nn1C ZINC000922947862 1322656225 /nfs/dbraw/zinc/65/62/25/1322656225.db2.gz LBKVWUHTHBSRNP-MDWZMJQESA-N 1 0 326.400 3.399 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000931188101 1329068667 /nfs/dbraw/zinc/06/86/67/1329068667.db2.gz BJULLWCOIYZFNE-AWEZNQCLSA-N 1 0 349.456 3.017 20 5 EGBDRO COc1ccc(CNC2CC[NH+](CCC(C)C)CC2)cc1[N+](=O)[O-] ZINC000924841498 1323184037 /nfs/dbraw/zinc/18/40/37/1323184037.db2.gz JTZGXHQSABACMT-UHFFFAOYSA-N 1 0 335.448 3.204 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000931493965 1329130165 /nfs/dbraw/zinc/13/01/65/1329130165.db2.gz BKVMAQCUVIAZLF-ZDUSSCGKSA-N 1 0 334.420 3.011 20 5 EGBDRO C[N@H+](Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1)[C@@H]1CCC(C)(C)C1 ZINC000853511737 1325110298 /nfs/dbraw/zinc/11/02/98/1325110298.db2.gz SUQMSLDMFHTRMX-CYBMUJFWSA-N 1 0 329.404 3.321 20 5 EGBDRO COc1cc(NCC2CC[NH+](CC3CC3)CC2)c([N+](=O)[O-])cc1OC ZINC000853984107 1325196943 /nfs/dbraw/zinc/19/69/43/1325196943.db2.gz DGHFFAVFWLHGAW-UHFFFAOYSA-N 1 0 349.431 3.146 20 5 EGBDRO Cc1cc(Cl)c(C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000855286413 1325368409 /nfs/dbraw/zinc/36/84/09/1325368409.db2.gz RFPKMFNXQFPXRY-NSHDSACASA-N 1 0 339.823 3.159 20 5 EGBDRO C[C@@H](NC(=O)Nc1ccc2c(c1)C[NH2+]CC2)c1ccc([N+](=O)[O-])cc1 ZINC000926148733 1325447889 /nfs/dbraw/zinc/44/78/89/1325447889.db2.gz XAXORNDIFFKIAH-GFCCVEGCSA-N 1 0 340.383 3.123 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC1CC2(C1)OCCO2 ZINC000926998555 1327812860 /nfs/dbraw/zinc/81/28/60/1327812860.db2.gz CMSTXBAFXRSADN-NSHDSACASA-N 1 0 338.429 3.120 20 5 EGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1cc(C2CC2)nn1C ZINC000927101089 1327862214 /nfs/dbraw/zinc/86/22/14/1327862214.db2.gz PVWXCLLPLNLWFF-LLVKDONJSA-N 1 0 332.379 3.066 20 5 EGBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000933621337 1329906839 /nfs/dbraw/zinc/90/68/39/1329906839.db2.gz AGCFMYNIXJIWSO-RYQLBKOJSA-N 1 0 345.443 3.031 20 5 EGBDRO Cc1cc(C)n(CCC[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])n1 ZINC000866215557 1330079596 /nfs/dbraw/zinc/07/95/96/1330079596.db2.gz KEJSLUDSSXICNY-LBPRGKRZSA-N 1 0 334.395 3.158 20 5 EGBDRO Cc1noc(C)c1C[C@@H](C)[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866269673 1330088365 /nfs/dbraw/zinc/08/83/65/1330088365.db2.gz YAVBZHPTMDOZBL-WDEREUQCSA-N 1 0 335.379 3.491 20 5 EGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H](CO)[C@H](C)c1ccccc1 ZINC000866296756 1330092138 /nfs/dbraw/zinc/09/21/38/1330092138.db2.gz FEUZARNCKORPJB-LBTNJELSSA-N 1 0 346.402 3.419 20 5 EGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000866311441 1330094525 /nfs/dbraw/zinc/09/45/25/1330094525.db2.gz KYVRZSGWYIPCDL-MDNXKNQGSA-N 1 0 334.391 3.212 20 5 EGBDRO C[C@H](NC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1)[C@@H](C)c1ccccc1 ZINC000867945502 1330231287 /nfs/dbraw/zinc/23/12/87/1330231287.db2.gz WLVWCVQGLZYECG-TYILLQQXSA-N 1 0 341.411 3.077 20 5 EGBDRO C[C@H](Oc1c(F)cc(Br)cc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC001218005671 1373534044 /nfs/dbraw/zinc/53/40/44/1373534044.db2.gz LQSPUDMYVJRDCM-QMMMGPOBSA-N 1 0 347.184 3.263 20 5 EGBDRO O=[N+]([O-])c1ccc2oc(=S)n(CN3CC[C@H]4OCCC[C@H]4C3)c2c1 ZINC001324060208 1387524068 /nfs/dbraw/zinc/52/40/68/1387524068.db2.gz XFCHSZXKMUDMMR-SMDDNHRTSA-N 1 0 349.412 3.330 20 5 EGBDRO Cc1cncc([N+](=O)[O-])c1NC1CC[NH+](CC2CCCCC2)CC1 ZINC001324282272 1387580636 /nfs/dbraw/zinc/58/06/36/1387580636.db2.gz RUZDYNMIODCMRO-UHFFFAOYSA-N 1 0 332.448 3.177 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1-c1nc([C@H]2C[NH+]3CCC2CC3)no1 ZINC001325472333 1387985064 /nfs/dbraw/zinc/98/50/64/1387985064.db2.gz AJTLGSZOEJVRSK-AWEZNQCLSA-N 1 0 328.372 3.071 20 5 EGBDRO C=C/C(C)=C/CC(=O)N1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001202054924 1369677674 /nfs/dbraw/zinc/67/76/74/1369677674.db2.gz XRHZRYKIANEOGR-VIZOYTHASA-N 1 0 343.427 3.198 20 5 EGBDRO NC(=O)[C@@H]1C[N@H+](Cc2ccc3ccc4cccc5ccc2c3c45)CCO1 ZINC001204003883 1370344675 /nfs/dbraw/zinc/34/46/75/1370344675.db2.gz KANSWVCEJZCHNM-IBGZPJMESA-N 1 0 344.414 3.270 20 5 EGBDRO O=[N+]([O-])c1cccc(Nc2ccc(CC[NH+]3CCOCC3)cc2)c1 ZINC001204468450 1370484316 /nfs/dbraw/zinc/48/43/16/1370484316.db2.gz IADAXZOBGGKTNI-UHFFFAOYSA-N 1 0 327.384 3.213 20 5 EGBDRO F[C@H]1C[NH2+]CC[C@@H]1c1nc(-c2ccc3ccc4cccnc4c3n2)no1 ZINC001205220490 1370685284 /nfs/dbraw/zinc/68/52/84/1370685284.db2.gz XWMAOZUWNKPHNF-KBPBESRZSA-N 1 0 349.369 3.248 20 5 EGBDRO Cc1ccc(C[N@@H+]2CCCN(c3cc(N)ccc3[N+](=O)[O-])CC2)cc1 ZINC001116924745 1371001690 /nfs/dbraw/zinc/00/16/90/1371001690.db2.gz ZPMXNUSPIQONDC-UHFFFAOYSA-N 1 0 340.427 3.198 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1-c1noc(C[C@H](C)C2CC[NH2+]CC2)n1 ZINC001118242760 1371153211 /nfs/dbraw/zinc/15/32/11/1371153211.db2.gz IOWIDRXJXHRAIR-NSHDSACASA-N 1 0 344.415 3.440 20 5 EGBDRO CC(C)(C)[NH+]1CCC(NC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC001119855216 1371414548 /nfs/dbraw/zinc/41/45/48/1371414548.db2.gz CPBQMRSBEHTHCA-IAGOWNOFSA-N 1 0 345.443 3.077 20 5 EGBDRO COc1c(O)ccc(C[NH2+]C[C@H]2CCc3ccccc32)c1[N+](=O)[O-] ZINC001120032947 1371463862 /nfs/dbraw/zinc/46/38/62/1371463862.db2.gz LBBFKZDDCKAVQX-CYBMUJFWSA-N 1 0 328.368 3.129 20 5 EGBDRO C[NH2+]Cc1ccc(-n2c3ccccc3cc3c(=O)c(N)ccc2-3)cc1 ZINC001211135119 1372488881 /nfs/dbraw/zinc/48/88/81/1372488881.db2.gz IYQYKRIKGCGYEJ-UHFFFAOYSA-N 1 0 329.403 3.397 20 5 EGBDRO Cc1c(Cl)cc([N+](=O)[O-])c(O[C@@H]2CCC[NH2+]C2)c1Br ZINC001217962823 1373520898 /nfs/dbraw/zinc/52/08/98/1373520898.db2.gz GRNUJVWKJMWTSN-MRVPVSSYSA-N 1 0 349.612 3.450 20 5 EGBDRO O=c1oc2cc(O[C@H]3C[NH2+]CCC[C@@H]3F)ccc2c2ccccc12 ZINC001217974969 1373523374 /nfs/dbraw/zinc/52/33/74/1373523374.db2.gz GVNOPCJKLHKFNB-WMZOPIPTSA-N 1 0 327.355 3.415 20 5 EGBDRO C[C@H]1CC[NH2+]CC[C@@H]1Oc1ccc(Br)cc1[N+](=O)[O-] ZINC001218024471 1373540330 /nfs/dbraw/zinc/54/03/30/1373540330.db2.gz AGZTWVCHQNDIOP-CABZTGNLSA-N 1 0 329.194 3.124 20 5 EGBDRO C[C@@H]1C[C@H](Oc2ccc(C(=O)OC(C)(C)C)cc2[N+](=O)[O-])CC[NH2+]1 ZINC001218054473 1373548796 /nfs/dbraw/zinc/54/87/96/1373548796.db2.gz ZUBYZQLXUGJDDT-DGCLKSJQSA-N 1 0 336.388 3.069 20 5 EGBDRO O=[N+]([O-])c1ccc(O[C@@H]2CCC[C@]23CC[NH2+]C3)c(Br)c1 ZINC001218088585 1373557708 /nfs/dbraw/zinc/55/77/08/1373557708.db2.gz FDWUKXANJHELLI-ZIAGYGMSSA-N 1 0 341.205 3.268 20 5 EGBDRO O=[N+]([O-])c1cc(OC2CC3(C2)CC[NH2+]CC3)ccc1Br ZINC001218103847 1373561602 /nfs/dbraw/zinc/56/16/02/1373561602.db2.gz SSZUEWKSEKKVEB-UHFFFAOYSA-N 1 0 341.205 3.268 20 5 EGBDRO Cc1cc(O[C@H]2CC[C@@]23CC[NH2+]C3)c([N+](=O)[O-])cc1Br ZINC001218118662 1373564127 /nfs/dbraw/zinc/56/41/27/1373564127.db2.gz QEFQPWFFAQJYRF-KBPBESRZSA-N 1 0 341.205 3.187 20 5 EGBDRO CC(C)(C)OC(=O)c1ccc(O[C@H]2CC[C@@]23CC[NH2+]C3)c([N+](=O)[O-])c1 ZINC001218121808 1373565122 /nfs/dbraw/zinc/56/51/22/1373565122.db2.gz CFHPONUTACQGLP-YJBOKZPZSA-N 1 0 348.399 3.071 20 5 EGBDRO Nc1ccc(O[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC001218178375 1373573013 /nfs/dbraw/zinc/57/30/13/1373573013.db2.gz QTPPTGORNLYUCY-MRXNPFEDSA-N 1 0 327.384 3.220 20 5 EGBDRO C[NH2+][C@H]1CC[C@H](Oc2c(F)cc(Br)cc2[N+](=O)[O-])CC1 ZINC001218188288 1373575001 /nfs/dbraw/zinc/57/50/01/1373575001.db2.gz UMTSQEVPBPDKOV-MGCOHNPYSA-N 1 0 347.184 3.406 20 5 EGBDRO O=[N+]([O-])c1cc(O[C@H]2CC[NH2+]C3(CCC3)C2)ccc1Br ZINC001218308081 1373592333 /nfs/dbraw/zinc/59/23/33/1373592333.db2.gz VFBCINNRCCYPRU-NSHDSACASA-N 1 0 341.205 3.411 20 5 EGBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Oc1ccc(N)c([N+](=O)[O-])c1 ZINC001218334418 1373599039 /nfs/dbraw/zinc/59/90/39/1373599039.db2.gz ABZAFEZYILAXLF-AUUYWEPGSA-N 1 0 341.411 3.466 20 5 EGBDRO C[C@@H]1CC[C@@H](Oc2cc([N+](=O)[O-])c(F)cc2Br)C[NH2+]1 ZINC001218395255 1373606431 /nfs/dbraw/zinc/60/64/31/1373606431.db2.gz VFSVSNLJSDUOMS-HTQZYQBOSA-N 1 0 333.157 3.016 20 5 EGBDRO Cc1cc(Br)cc([N+](=O)[O-])c1O[C@H]1CC[C@H](C)[NH2+]C1 ZINC001218399673 1373607171 /nfs/dbraw/zinc/60/71/71/1373607171.db2.gz PXSYVOPDUAQGMZ-ONGXEEELSA-N 1 0 329.194 3.185 20 5 EGBDRO Cc1cc(Br)cc([N+](=O)[O-])c1O[C@@H]1CC[NH2+]C[C@@H]1C ZINC001218424950 1373610861 /nfs/dbraw/zinc/61/08/61/1373610861.db2.gz PGQCPMYURQTXAA-JOYOIKCWSA-N 1 0 329.194 3.043 20 5 EGBDRO O=c1oc2cc(O[C@@H]3C[NH2+]CCC3(F)F)ccc2c2ccccc12 ZINC001218448098 1373614850 /nfs/dbraw/zinc/61/48/50/1373614850.db2.gz LFMLRJCJIDUIIK-MRXNPFEDSA-N 1 0 331.318 3.322 20 5 EGBDRO [NH3+][C@@H](Cc1c2ccccc2cc2ccccc21)C(=O)Nc1c[nH]cn1 ZINC001218631943 1373637812 /nfs/dbraw/zinc/63/78/12/1373637812.db2.gz NEYACTIWKUALEH-SFHVURJKSA-N 1 0 330.391 3.225 20 5 EGBDRO [NH3+][C@H](C(=O)Nc1cc2cccnc2c2ncccc12)c1ccccc1 ZINC001218979294 1373673198 /nfs/dbraw/zinc/67/31/98/1373673198.db2.gz KGEQKTCDJNYKIV-KRWDZBQOSA-N 1 0 328.375 3.422 20 5 EGBDRO C[C@H](c1ccccn1)[N@@H+]1CC[C@@H](OCc2ccccc2[N+](=O)[O-])C1 ZINC001222761372 1373872930 /nfs/dbraw/zinc/87/29/30/1373872930.db2.gz PAQQBNYSWGFIGR-GDBMZVCRSA-N 1 0 327.384 3.342 20 5 EGBDRO C[C@H](C[N+](C)(C)C)Oc1cc(C(F)(F)F)c(Br)cn1 ZINC001226368420 1375248133 /nfs/dbraw/zinc/24/81/33/1375248133.db2.gz XEEGDQRPBYHEAT-MRVPVSSYSA-N 1 0 342.179 3.336 20 5 EGBDRO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1Oc1ccc([N+](=O)[O-])nc1 ZINC001226710471 1375314004 /nfs/dbraw/zinc/31/40/04/1375314004.db2.gz LQXVGIWAYTXQCP-PBHICJAKSA-N 1 0 327.384 3.279 20 5 EGBDRO COC(=O)c1ccc(OC2CC[NH+](C(C)(C)C)CC2)c([N+](=O)[O-])c1 ZINC001227298262 1375417434 /nfs/dbraw/zinc/41/74/34/1375417434.db2.gz NPGQUDUPFRUQMQ-UHFFFAOYSA-N 1 0 336.388 3.023 20 5 EGBDRO C[N@@H+]1CCC[C@H](Oc2ncnc3cc(Cl)c([N+](=O)[O-])cc32)CC1 ZINC001227363842 1375422755 /nfs/dbraw/zinc/42/27/55/1375422755.db2.gz HFHIDIFLIFCQMT-JTQLQIEISA-N 1 0 336.779 3.055 20 5 EGBDRO O=[N+]([O-])c1cc(OC(F)(F)F)ccc1O[C@@H]1CCc2nccn2C1 ZINC001227604199 1375452176 /nfs/dbraw/zinc/45/21/76/1375452176.db2.gz RPLPVQNOQHFCCE-SNVBAGLBSA-N 1 0 343.261 3.084 20 5 EGBDRO CC(C)[N@@H+]1CC[C@H](Oc2ccc(OC(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001227604903 1375452224 /nfs/dbraw/zinc/45/22/24/1375452224.db2.gz ZZLLRJJJNVBZKA-NSHDSACASA-N 1 0 334.294 3.355 20 5 EGBDRO O=[N+]([O-])c1cc(F)c(F)c(OC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC001228015647 1375503539 /nfs/dbraw/zinc/50/35/39/1375503539.db2.gz GIYHNSYFDLNLJS-UHFFFAOYSA-N 1 0 335.310 3.316 20 5 EGBDRO C[NH+]1CCC2(CC[C@@H](COc3ccc([N+](=O)[O-])c(Cl)c3)O2)CC1 ZINC001228757503 1375666813 /nfs/dbraw/zinc/66/68/13/1375666813.db2.gz UYHAOTYQWBEQDP-ZDUSSCGKSA-N 1 0 340.807 3.270 20 5 EGBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(C1CCC1)C1CCC1 ZINC001132964589 1375678556 /nfs/dbraw/zinc/67/85/56/1375678556.db2.gz VYVXIBIZYFLOHR-UHFFFAOYSA-N 1 0 345.443 3.017 20 5 EGBDRO CC[N@@H+]1CCC[C@H](Oc2cc([N+](=O)[O-])c(Br)cc2F)C1 ZINC001228941193 1375723224 /nfs/dbraw/zinc/72/32/24/1375723224.db2.gz IQNYVSAXBIJNLD-VIFPVBQESA-N 1 0 347.184 3.360 20 5 EGBDRO O=[N+]([O-])c1ccc(O)c(OC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC001229397202 1375827678 /nfs/dbraw/zinc/82/76/78/1375827678.db2.gz DJPAJUQIFGCMIZ-UHFFFAOYSA-N 1 0 328.368 3.344 20 5 EGBDRO CC1(CCC(=O)NC2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001229878751 1375909838 /nfs/dbraw/zinc/90/98/38/1375909838.db2.gz MTERTENOSGFFMZ-UHFFFAOYSA-N 1 0 345.443 3.256 20 5 EGBDRO C[N@@H+]1CCC[C@H](Oc2c(Br)c(F)ccc2[N+](=O)[O-])CC1 ZINC001230684483 1376125898 /nfs/dbraw/zinc/12/58/98/1376125898.db2.gz LEFNLLSHXNJMDQ-VIFPVBQESA-N 1 0 347.184 3.360 20 5 EGBDRO COC(=O)c1ccc(OC2CC[NH+](C(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC001234056530 1376760546 /nfs/dbraw/zinc/76/05/46/1376760546.db2.gz FAUMOGHTNURIJS-UHFFFAOYSA-N 1 0 336.388 3.023 20 5 EGBDRO CC(C)[C@@H]([NH3+])Cc1nc(-c2ccc3ccc4cccnc4c3n2)no1 ZINC001248219263 1377067292 /nfs/dbraw/zinc/06/72/92/1377067292.db2.gz IIQWXNMDRCZAQR-AWEZNQCLSA-N 1 0 333.395 3.359 20 5 EGBDRO CC(C)[N@@H+]1CC[C@H](N(C)c2ncnc3c(Cl)cc([N+](=O)[O-])cc32)C1 ZINC001327713267 1388589170 /nfs/dbraw/zinc/58/91/70/1388589170.db2.gz AQYCUPZLMHFEHE-NSHDSACASA-N 1 0 349.822 3.110 20 5 EGBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])C1(C2CCCCC2)CC1 ZINC001149135341 1379330671 /nfs/dbraw/zinc/33/06/71/1379330671.db2.gz WTYPHNHTLMSXNN-UHFFFAOYSA-N 1 0 345.443 3.161 20 5 EGBDRO CC(C)N(CCC[NH3+])c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)nn1 ZINC001156124448 1380528705 /nfs/dbraw/zinc/52/87/05/1380528705.db2.gz JUPOGYIACIJPFJ-UHFFFAOYSA-N 1 0 349.822 3.269 20 5 EGBDRO CC(C)Oc1nc(NCCC[N@@H+]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC001156926320 1380730569 /nfs/dbraw/zinc/73/05/69/1380730569.db2.gz XPNDFRIFAKHAEJ-AWEZNQCLSA-N 1 0 336.436 3.453 20 5 EGBDRO Cc1nc(Cl)c([N+](=O)[O-])c(NCCC[N@H+]2CCCC[C@@H]2C)n1 ZINC001156928395 1380731273 /nfs/dbraw/zinc/73/12/73/1380731273.db2.gz KEEJUKLRRZIKMN-JTQLQIEISA-N 1 0 327.816 3.023 20 5 EGBDRO [NH3+]CCc1cn(-c2ccc3ccc([N+](=O)[O-])cc3n2)c2ccc(O)cc12 ZINC001157218084 1380814571 /nfs/dbraw/zinc/81/45/71/1380814571.db2.gz JAMMTARTHAPYEW-UHFFFAOYSA-N 1 0 348.362 3.294 20 5 EGBDRO C[N@@H+]1CCC[C@@H]2CN(c3cc4ccc(Cl)nc4cc3[N+](=O)[O-])C[C@H]21 ZINC001157282101 1380833110 /nfs/dbraw/zinc/83/31/10/1380833110.db2.gz LYENWNXWBBFDMJ-MLGOLLRUSA-N 1 0 346.818 3.327 20 5 EGBDRO C[N@@H+]1CCC[C@H]2CN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)C[C@H]21 ZINC001157282586 1380833274 /nfs/dbraw/zinc/83/32/74/1380833274.db2.gz OHIAQCWTQBBDPQ-DOTOQJQBSA-N 1 0 338.411 3.187 20 5 EGBDRO O=[N+]([O-])c1ccc2c(ccnc2N2CCCC[C@]23CCC[NH2+]C3)c1 ZINC001157475900 1380926354 /nfs/dbraw/zinc/92/63/54/1380926354.db2.gz NUHJBHJMAOZPBX-GOSISDBHSA-N 1 0 326.400 3.256 20 5 EGBDRO CN(CC[N@H+](C)Cc1ccccc1)c1nccc(Cl)c1[N+](=O)[O-] ZINC001157551885 1380961739 /nfs/dbraw/zinc/96/17/39/1380961739.db2.gz VUVNZTSXBKRLGO-UHFFFAOYSA-N 1 0 334.807 3.211 20 5 EGBDRO CC(C)N(c1ccc2c(ccc(Cl)c2[N+](=O)[O-])n1)[C@@H]1CC[NH2+]C1 ZINC001158025833 1381106495 /nfs/dbraw/zinc/10/64/95/1381106495.db2.gz POSDPEDXDGKETA-LLVKDONJSA-N 1 0 334.807 3.373 20 5 EGBDRO CCN(c1ccc2c(ccc(Cl)c2[N+](=O)[O-])n1)[C@H]1CCC[NH2+]C1 ZINC001158205740 1381157990 /nfs/dbraw/zinc/15/79/90/1381157990.db2.gz UJPAWUBUNOBOJG-NSHDSACASA-N 1 0 334.807 3.375 20 5 EGBDRO CCOc1nc(N[C@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)ccc1[N+](=O)[O-] ZINC001158267273 1381178218 /nfs/dbraw/zinc/17/82/18/1381178218.db2.gz WATADDZEQUTKSR-YVEFUNNKSA-N 1 0 336.436 3.344 20 5 EGBDRO CC1(C)C[C@H](Nc2ncnc3cccc([N+](=O)[O-])c32)C[C@@](C)(C[NH3+])C1 ZINC001158272225 1381181032 /nfs/dbraw/zinc/18/10/32/1381181032.db2.gz VZQHUSIRLOBKDS-KPZWWZAWSA-N 1 0 343.431 3.494 20 5 EGBDRO CC1(C)C[C@@H](Nc2ncnc3cccc([N+](=O)[O-])c32)C[C@](C)(C[NH3+])C1 ZINC001158272228 1381181546 /nfs/dbraw/zinc/18/15/46/1381181546.db2.gz VZQHUSIRLOBKDS-XIKOKIGWSA-N 1 0 343.431 3.494 20 5 EGBDRO CC(C)CC(=O)NCCC1=CC[N@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001159111158 1381597954 /nfs/dbraw/zinc/59/79/54/1381597954.db2.gz FWVAOGGXIDSPAB-UHFFFAOYSA-N 1 0 345.443 3.279 20 5 EGBDRO CC(C)=CC(=O)NCCC1=CC[N@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001159187155 1381723686 /nfs/dbraw/zinc/72/36/86/1381723686.db2.gz CLPYGUNSKSKSID-UHFFFAOYSA-N 1 0 343.427 3.199 20 5 EGBDRO O=[N+]([O-])c1ccc(F)c(Nc2cccnc2OCC2CC[NH2+]CC2)c1 ZINC001159295497 1381755070 /nfs/dbraw/zinc/75/50/70/1381755070.db2.gz WSAYQLQYEHTKCW-UHFFFAOYSA-N 1 0 346.362 3.251 20 5 EGBDRO C[NH+]1C(C)(C)CC(Nc2nc(Cl)ncc2[N+](=O)[O-])CC1(C)C ZINC001159392111 1381784409 /nfs/dbraw/zinc/78/44/09/1381784409.db2.gz XCDCLMXFTJUUNT-UHFFFAOYSA-N 1 0 327.816 3.102 20 5 EGBDRO CC(C)(C(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC001160069556 1381987945 /nfs/dbraw/zinc/98/79/45/1381987945.db2.gz SEMLRLBBEMICJL-UHFFFAOYSA-N 1 0 347.459 3.407 20 5 EGBDRO Nc1cccc(F)c1N(CC1CC[NH2+]CC1)c1ccccc1[N+](=O)[O-] ZINC001160124868 1382005058 /nfs/dbraw/zinc/00/50/58/1382005058.db2.gz WSUJYBILWGVUBU-UHFFFAOYSA-N 1 0 344.390 3.454 20 5 EGBDRO [NH3+]C[C@@H]1COc2ccccc2N1c1ncc([N+](=O)[O-])c2ccccc21 ZINC001160199614 1382031750 /nfs/dbraw/zinc/03/17/50/1382031750.db2.gz LECGNQVDUGJCDG-GFCCVEGCSA-N 1 0 336.351 3.001 20 5 EGBDRO Cc1cc(Nc2ccc(N)c([N+](=O)[O-])c2)ccc1OC1CC[NH2+]CC1 ZINC001160227594 1382040027 /nfs/dbraw/zinc/04/00/27/1382040027.db2.gz RYJZTBGDBZXRLZ-UHFFFAOYSA-N 1 0 342.399 3.360 20 5 EGBDRO CSc1nc(Cl)c([N+](=O)[O-])c(-n2ccc3cccc(C[NH3+])c32)n1 ZINC001160453482 1382107963 /nfs/dbraw/zinc/10/79/63/1382107963.db2.gz NYCBUKYDJIWDJK-UHFFFAOYSA-N 1 0 349.803 3.163 20 5 EGBDRO C[C@H]1CCC[N@@H+]1CCNc1ncnc2c(Cl)cc([N+](=O)[O-])cc12 ZINC001328538631 1388771709 /nfs/dbraw/zinc/77/17/09/1388771709.db2.gz NKNJQTCENGPKNW-JTQLQIEISA-N 1 0 335.795 3.088 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)c(Cl)nc1N[C@H]1CC[N@@H+](C2CCC2)C1 ZINC001161177209 1382325727 /nfs/dbraw/zinc/32/57/27/1382325727.db2.gz JSJVVCRCJKLWPD-QMMMGPOBSA-N 1 0 331.203 3.335 20 5 EGBDRO O=C(NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1)C1CCC2(CC2)CC1 ZINC001162674206 1382830268 /nfs/dbraw/zinc/83/02/68/1382830268.db2.gz KAIFEJBGXMXKJR-UHFFFAOYSA-N 1 0 345.443 3.161 20 5 EGBDRO O=[N+]([O-])c1cc2c(nc1N[C@@H]1C[NH2+]Cc3ccsc31)CCCC2 ZINC001163221229 1382996368 /nfs/dbraw/zinc/99/63/68/1382996368.db2.gz OUYAVECIXSTUMN-CYBMUJFWSA-N 1 0 330.413 3.187 20 5 EGBDRO Cc1cc(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)c([N+](=O)[O-])cc1Br ZINC001163268494 1383009661 /nfs/dbraw/zinc/00/96/61/1383009661.db2.gz JEAACWPRHSCIGP-SCVCMEIPSA-N 1 0 340.221 3.076 20 5 EGBDRO CC(C)[N@@H+]1CC[C@@H](Nc2ncnc3ccc([N+](=O)[O-])cc32)[C@@H](C)C1 ZINC001163360554 1383029880 /nfs/dbraw/zinc/02/98/80/1383029880.db2.gz DWPMWQOLBIKVMW-SWLSCSKDSA-N 1 0 329.404 3.069 20 5 EGBDRO CC(C)[N@@H+]1CC[C@@H](Nc2cnc3ccc([N+](=O)[O-])cc3n2)[C@H](C)C1 ZINC001163361979 1383031243 /nfs/dbraw/zinc/03/12/43/1383031243.db2.gz LPZYDAFPZDDXCS-TZMCWYRMSA-N 1 0 329.404 3.069 20 5 EGBDRO COc1cc(-n2c(C)c(C)c3cc(C[NH3+])ccc32)cnc1[N+](=O)[O-] ZINC001163761970 1383119005 /nfs/dbraw/zinc/11/90/05/1383119005.db2.gz QHYOHLNXEDBORC-UHFFFAOYSA-N 1 0 326.356 3.018 20 5 EGBDRO O=[N+]([O-])c1cccc2nc(N3CCC4(CCCC[NH2+]4)CC3)ccc21 ZINC001165246644 1383257733 /nfs/dbraw/zinc/25/77/33/1383257733.db2.gz LDJVKENTRICREQ-UHFFFAOYSA-N 1 0 326.400 3.256 20 5 EGBDRO O=[N+]([O-])c1ccc2ccnc(N3CCC4(CCCC[NH2+]4)CC3)c2c1 ZINC001165248350 1383257815 /nfs/dbraw/zinc/25/78/15/1383257815.db2.gz KHPICVFYZDKPQR-UHFFFAOYSA-N 1 0 326.400 3.256 20 5 EGBDRO CNc1cc([N+](=O)[O-])cnc1NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC001166890071 1383494671 /nfs/dbraw/zinc/49/46/71/1383494671.db2.gz WSSSIHSJBPWYBU-QGZVFWFLSA-N 1 0 341.415 3.281 20 5 EGBDRO C[NH2+]Cc1cccc(Nc2ncnc3cc(OC)c([N+](=O)[O-])cc32)c1 ZINC001167032927 1383523885 /nfs/dbraw/zinc/52/38/85/1383523885.db2.gz DZQACQSBQMJLKQ-UHFFFAOYSA-N 1 0 339.355 3.010 20 5 EGBDRO Cc1c(C)c(N2CC3(CC[NH2+]CC3)c3ccccc32)ncc1[N+](=O)[O-] ZINC001167071311 1383532640 /nfs/dbraw/zinc/53/26/40/1383532640.db2.gz YAABJPQAZQIPNZ-UHFFFAOYSA-N 1 0 338.411 3.380 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2ncc(Cl)cc2Br)C1 ZINC001168977478 1384077056 /nfs/dbraw/zinc/07/70/56/1384077056.db2.gz KDDDPIGGCCATSO-PSASIEDQSA-N 1 0 348.628 3.033 20 5 EGBDRO COc1ccc2c(c1)c(CC[NH3+])c(C)n2[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168977862 1384077100 /nfs/dbraw/zinc/07/71/00/1384077100.db2.gz NCJNIBYJIWFFAO-KBPBESRZSA-N 1 0 331.416 3.077 20 5 EGBDRO COc1cccc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c1C(F)(F)F ZINC001168978955 1384077282 /nfs/dbraw/zinc/07/72/82/1384077282.db2.gz VVSZFPRGDAVILB-ZYHUDNBSSA-N 1 0 332.322 3.249 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2ccc(F)cc2Br)C1 ZINC001168984680 1384079678 /nfs/dbraw/zinc/07/96/78/1384079678.db2.gz PVHBSRSTJDKLRS-JOYOIKCWSA-N 1 0 331.185 3.123 20 5 EGBDRO CC(C)(C)OC(=O)c1ccc(CC[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001168989281 1384079924 /nfs/dbraw/zinc/07/99/24/1384079924.db2.gz VOVVBXCNKGTNKR-DOTOQJQBSA-N 1 0 348.443 3.219 20 5 EGBDRO Cc1cc(F)ccc1CN1CCC([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168990714 1384080255 /nfs/dbraw/zinc/08/02/55/1384080255.db2.gz DRCWPYLLIRDZTI-BEFAXECRSA-N 1 0 349.450 3.134 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2ccc(Oc3ccccn3)cc2)C1 ZINC001168998390 1384082511 /nfs/dbraw/zinc/08/25/11/1384082511.db2.gz MCVWTTNPUHEWPD-JKSUJKDBSA-N 1 0 327.384 3.409 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+][C@@H]2CCc3ccc(Br)cc32)C1 ZINC001169004379 1384084651 /nfs/dbraw/zinc/08/46/51/1384084651.db2.gz QSJXYVFLOOUOBZ-VZJVUDMVSA-N 1 0 339.233 3.471 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCC(c3nc4ccccc4o3)CC2)C1 ZINC001169007621 1384087093 /nfs/dbraw/zinc/08/70/93/1384087093.db2.gz ORHLQMSHBYQZGE-UKRRQHHQSA-N 1 0 329.400 3.453 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCC3(C[C@@H](c4ccccc4)CO3)CC2)C1 ZINC001169025677 1384092490 /nfs/dbraw/zinc/09/24/90/1384092490.db2.gz UCFARFSYXAYJCE-BHIYHBOVSA-N 1 0 344.455 3.471 20 5 EGBDRO Cn1c2ccccc2nc1C1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169039875 1384098010 /nfs/dbraw/zinc/09/80/10/1384098010.db2.gz VECDSYFHLLXFFM-GOEBONIOSA-N 1 0 342.443 3.198 20 5 EGBDRO Cc1cc(C[N@H+](Cc2ccccc2)[C@H]2CC[C@H](C[N+](=O)[O-])C2)on1 ZINC001169039234 1384098382 /nfs/dbraw/zinc/09/83/82/1384098382.db2.gz OMLFFSLHQWHWID-IRXDYDNUSA-N 1 0 329.400 3.431 20 5 EGBDRO COc1ccccc1OCC1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169042154 1384098556 /nfs/dbraw/zinc/09/85/56/1384098556.db2.gz DEPWRQJJBBDIQD-IRXDYDNUSA-N 1 0 348.443 3.231 20 5 EGBDRO CCOc1cc2c(cc1OCC)C[N@@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169047098 1384100235 /nfs/dbraw/zinc/10/02/35/1384100235.db2.gz QSBVYAXZHUUVAI-RHSMWYFYSA-N 1 0 348.443 3.288 20 5 EGBDRO COc1cccc([C@@H]2CSCC[N@@H+]2[C@@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001169056830 1384101803 /nfs/dbraw/zinc/10/18/03/1384101803.db2.gz SYYIHFMKNLPCOK-LXZKKBNFSA-N 1 0 336.457 3.231 20 5 EGBDRO C[C@@H]1C[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)[C@H](C)CN1Cc1ccccc1 ZINC001169057910 1384101876 /nfs/dbraw/zinc/10/18/76/1384101876.db2.gz YXIDELSPCXKCLP-ZAWLATJESA-N 1 0 331.460 3.027 20 5 EGBDRO CC1(C)C[C@H](Nc2cc([N+](=O)[O-])c3nccn3c2)C[C@](C)(C[NH3+])C1 ZINC001169146474 1384114746 /nfs/dbraw/zinc/11/47/46/1384114746.db2.gz QYAQYQWTMPUHSU-GUYCJALGSA-N 1 0 331.420 3.198 20 5 EGBDRO [NH3+]Cc1ccc2c(n1)N(c1ccc3cnccc3c1[N+](=O)[O-])CCC2 ZINC001169590494 1384162682 /nfs/dbraw/zinc/16/26/82/1384162682.db2.gz GMTYZZLBQIMYPS-UHFFFAOYSA-N 1 0 335.367 3.081 20 5 EGBDRO [NH3+]Cc1ccc2c(n1)N(c1ccc([N+](=O)[O-])c3cnccc31)CCC2 ZINC001169592278 1384163152 /nfs/dbraw/zinc/16/31/52/1384163152.db2.gz KJYQREFGLGRJKC-UHFFFAOYSA-N 1 0 335.367 3.081 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+]CCc2ccccc2O)c([N+](=O)[O-])c1 ZINC001170304883 1384287338 /nfs/dbraw/zinc/28/73/38/1384287338.db2.gz HIKVNJBIRQXHSK-ZDUSSCGKSA-N 1 0 330.384 3.072 20 5 EGBDRO COc1ccc(C[C@H](C)n2cc3cc(C[NH3+])ccc3n2)c([N+](=O)[O-])c1 ZINC001170309224 1384288058 /nfs/dbraw/zinc/28/80/58/1384288058.db2.gz PNHBNKLRGRAQJY-LBPRGKRZSA-N 1 0 340.383 3.216 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+]Cc2cc(F)cc(OC)c2)c([N+](=O)[O-])c1 ZINC001170313534 1384288556 /nfs/dbraw/zinc/28/85/56/1384288556.db2.gz NZQYDPLAFLZVSV-LBPRGKRZSA-N 1 0 348.374 3.472 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+][C@@H]2COCc3ccccc32)c([N+](=O)[O-])c1 ZINC001170312098 1384288782 /nfs/dbraw/zinc/28/87/82/1384288782.db2.gz CSVBXBFCIQIZRB-SCLBCKFNSA-N 1 0 342.395 3.396 20 5 EGBDRO CCCc1cc(C[NH3+])nn1[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170318620 1384289994 /nfs/dbraw/zinc/28/99/94/1384289994.db2.gz QGYFNNVEJWWMKW-GFCCVEGCSA-N 1 0 332.404 3.015 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+][C@H](CO)c2cccc(C)c2)c([N+](=O)[O-])c1 ZINC001170325909 1384291350 /nfs/dbraw/zinc/29/13/50/1384291350.db2.gz BWOYJIQAPKQUBU-RDTXWAMCSA-N 1 0 344.411 3.166 20 5 EGBDRO COc1ccc(C[C@H](C)[N@H+](C)Cc2cccnc2C)c([N+](=O)[O-])c1 ZINC001170355183 1384298938 /nfs/dbraw/zinc/29/89/38/1384298938.db2.gz WYAJNLQNXPLNTF-ZDUSSCGKSA-N 1 0 329.400 3.370 20 5 EGBDRO COc1ccc(C[C@H](C)N2CC[N@H+](C)CC23CCCC3)c([N+](=O)[O-])c1 ZINC001170355415 1384298979 /nfs/dbraw/zinc/29/89/79/1384298979.db2.gz DKFQSXAVHXFTOX-HNNXBMFYSA-N 1 0 347.459 3.095 20 5 EGBDRO [NH3+]C[C@@H]1COc2ccccc2N1c1cc2cccnc2c([N+](=O)[O-])c1 ZINC001171393262 1384511319 /nfs/dbraw/zinc/51/13/19/1384511319.db2.gz JXOZNYQNJBKHGV-CQSZACIVSA-N 1 0 336.351 3.001 20 5 EGBDRO [NH3+][C@@H]1Cc2ccccc2N([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172895544 1384873737 /nfs/dbraw/zinc/87/37/37/1384873737.db2.gz FNFYNQAZLRPZET-MSOLQXFVSA-N 1 0 337.423 3.232 20 5 EGBDRO CN(C)[C@H]1CCCC[C@@H]1[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172901175 1384874154 /nfs/dbraw/zinc/87/41/54/1384874154.db2.gz KJBCWFXPMNENGT-WDSOQIARSA-N 1 0 331.460 3.305 20 5 EGBDRO COC(=O)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172899580 1384874368 /nfs/dbraw/zinc/87/43/68/1384874368.db2.gz ARUZFCPKAHNXPK-IXDOHACOSA-N 1 0 346.427 3.164 20 5 EGBDRO CC(C)CN1CC[C@H]([NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172903483 1384874743 /nfs/dbraw/zinc/87/47/43/1384874743.db2.gz GSGWHGVSDCRETF-MSOLQXFVSA-N 1 0 331.460 3.162 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CC[C@@H]3OCCC[C@H]3C1)CC2 ZINC001172908339 1384875459 /nfs/dbraw/zinc/87/54/59/1384875459.db2.gz LYAJFGCFORERIM-SCTDSRPQSA-N 1 0 330.428 3.343 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]Cc1ncn3ccccc13)CC2 ZINC001172905064 1384875509 /nfs/dbraw/zinc/87/55/09/1384875509.db2.gz PWSREHMFKYCCMA-MRXNPFEDSA-N 1 0 336.395 3.280 20 5 EGBDRO CC[N@H+](CCn1cccn1)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172918583 1384878456 /nfs/dbraw/zinc/87/84/56/1384878456.db2.gz BNDFRUCXAOHMAK-KRWDZBQOSA-N 1 0 328.416 3.061 20 5 EGBDRO O=c1[nH]ccc2c1CC[N@@H+]([C@H]1CCc3ccc([N+](=O)[O-])cc3CC1)C2 ZINC001172921780 1384879906 /nfs/dbraw/zinc/87/99/06/1384879906.db2.gz SZDRTBVPOGRTOW-INIZCTEOSA-N 1 0 339.395 3.001 20 5 EGBDRO C[C@@H]1C[C@H]1C[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173006176 1384896904 /nfs/dbraw/zinc/89/69/04/1384896904.db2.gz OQUQCCCVUDUDQH-MNOVXSKESA-N 1 0 325.359 3.087 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CCCC(C)(C)CO)c1F ZINC001173175389 1384931795 /nfs/dbraw/zinc/93/17/95/1384931795.db2.gz BNXJIEFOEIHQDP-GFCCVEGCSA-N 1 0 342.411 3.062 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]Cc2ccc(C)n2C)c1F ZINC001173180888 1384932207 /nfs/dbraw/zinc/93/22/07/1384932207.db2.gz ZATUPCIRFLYHFW-LLVKDONJSA-N 1 0 335.379 3.110 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1CC(NC(=O)OC(C)(C)C)C1 ZINC001173210347 1384936342 /nfs/dbraw/zinc/93/63/42/1384936342.db2.gz JJJLZBSKMZUSED-LRVUVFPRSA-N 1 0 349.431 3.171 20 5 EGBDRO COC(=O)c1ccc(CC[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001173218497 1384937708 /nfs/dbraw/zinc/93/77/08/1384937708.db2.gz KEEQFGLGULVKAK-CQSZACIVSA-N 1 0 342.395 3.145 20 5 EGBDRO COc1cccc(OC)c1C[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173216796 1384937713 /nfs/dbraw/zinc/93/77/13/1384937713.db2.gz JLASEZPTTWOELH-CYBMUJFWSA-N 1 0 330.384 3.333 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1C[C@@H](CC[NH3+])c2ccccc21 ZINC001173215996 1384937743 /nfs/dbraw/zinc/93/77/43/1384937743.db2.gz GVTUQQSHHCGBTB-GDBMZVCRSA-N 1 0 325.412 3.478 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc(C2OCCO2)cc1 ZINC001173220506 1384938047 /nfs/dbraw/zinc/93/80/47/1384938047.db2.gz FOILGMJGECMYGR-AWEZNQCLSA-N 1 0 342.395 3.361 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cncnc1C(C)(C)F ZINC001173219558 1384938567 /nfs/dbraw/zinc/93/85/67/1384938567.db2.gz NXWLJGGPVGKEAD-GFCCVEGCSA-N 1 0 332.379 3.310 20 5 EGBDRO CC[C@H]1[N@@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)CCC[C@]12CCC(=O)N2 ZINC001173223876 1384939104 /nfs/dbraw/zinc/93/91/04/1384939104.db2.gz IIQZUBLANLOIIB-BJZITVGISA-N 1 0 345.443 3.049 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC[C@](O)(C(F)(F)F)C1 ZINC001173222541 1384939266 /nfs/dbraw/zinc/93/92/66/1384939266.db2.gz SVFIXTFMGDCIJM-IUODEOHRSA-N 1 0 346.349 3.305 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccnn1CC(F)(F)F ZINC001173226172 1384940126 /nfs/dbraw/zinc/94/01/26/1384940126.db2.gz VQXPJIHTZYCYQM-LLVKDONJSA-N 1 0 342.321 3.074 20 5 EGBDRO Cc1cccnc1N1CC[NH+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173225487 1384940329 /nfs/dbraw/zinc/94/03/29/1384940329.db2.gz KDLDJZDFKVDDIL-INIZCTEOSA-N 1 0 340.427 3.051 20 5 EGBDRO Cc1ccc(N2CC[NH+]([C@H](C)Cc3ccc([N+](=O)[O-])cc3)CC2)nc1 ZINC001173228581 1384940562 /nfs/dbraw/zinc/94/05/62/1384940562.db2.gz XWWBKVYWACTJHV-MRXNPFEDSA-N 1 0 340.427 3.051 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC[C@H]1C(=O)N1CCCC1 ZINC001173228435 1384940913 /nfs/dbraw/zinc/94/09/13/1384940913.db2.gz WTCONGSOWIAWEE-QAPCUYQASA-N 1 0 345.443 3.003 20 5 EGBDRO CCOC(=O)N1CCC([N@H+](C)[C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173233737 1384941647 /nfs/dbraw/zinc/94/16/47/1384941647.db2.gz MWPJJPBUQDFLPC-AWEZNQCLSA-N 1 0 349.431 3.079 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCc2ccccc2[C@H]1O ZINC001173234098 1384941651 /nfs/dbraw/zinc/94/16/51/1384941651.db2.gz MMMCOKUCSJYIPR-ZNZDAUKMSA-N 1 0 326.396 3.164 20 5 EGBDRO Cc1ncn([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)c1CSCC[NH3+] ZINC001173235456 1384941945 /nfs/dbraw/zinc/94/19/45/1384941945.db2.gz SWKCKAHFZSSSTN-LBPRGKRZSA-N 1 0 334.445 3.095 20 5 EGBDRO C[NH+]1CCN(c2ccccc2Nc2ccc(/C=C/[N+](=O)[O-])cc2)CC1 ZINC001175901919 1385432865 /nfs/dbraw/zinc/43/28/65/1385432865.db2.gz BNLVBCQKDVYGDQ-ZHACJKMWSA-N 1 0 338.411 3.429 20 5 EGBDRO O=C(CC1CC1)NCCCCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001177742225 1386031618 /nfs/dbraw/zinc/03/16/18/1386031618.db2.gz FPPHTGZESCDWAG-UHFFFAOYSA-N 1 0 339.461 3.223 20 5 EGBDRO CS[C@@H]1CC[C@@H]([N@H+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC001319714891 1386265961 /nfs/dbraw/zinc/26/59/61/1386265961.db2.gz FRAXLOLKSRACOO-CHWSQXEVSA-N 1 0 338.429 3.082 20 5 EGBDRO Cc1c(C(=O)Nc2ccc3cc([N+](=O)[O-])ccc3n2)ccc2c[nH+]cn21 ZINC001320173198 1386547948 /nfs/dbraw/zinc/54/79/48/1386547948.db2.gz FICTZBQLINMLTK-UHFFFAOYSA-N 1 0 347.334 3.351 20 5 EGBDRO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)c1ccc2c[nH+]cn2c1C ZINC001321234619 1386850710 /nfs/dbraw/zinc/85/07/10/1386850710.db2.gz YZVZCLHZZYGWDK-UHFFFAOYSA-N 1 0 328.303 3.251 20 5 EGBDRO CS[C@@H]1CC[C@H]([N@H+](C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC001322156336 1387080125 /nfs/dbraw/zinc/08/01/25/1387080125.db2.gz COBGDOOJXSDDDZ-GXTWGEPZSA-N 1 0 348.428 3.361 20 5 EGBDRO Cc1ccc(C[N@@H+]2CCCN(c3ncc([N+](=O)[O-])cc3C)CC2)cc1 ZINC001322580332 1387208800 /nfs/dbraw/zinc/20/88/00/1387208800.db2.gz DBJDZQZYNSPBKN-UHFFFAOYSA-N 1 0 340.427 3.319 20 5 EGBDRO CC1CC[NH+](CCNc2ncnc3c(Cl)cc([N+](=O)[O-])cc23)CC1 ZINC001329640279 1389196571 /nfs/dbraw/zinc/19/65/71/1389196571.db2.gz VQUTUKRWTFORQR-UHFFFAOYSA-N 1 0 349.822 3.335 20 5 EGBDRO CC[C@@H]1C[N@H+](C)CCCN1c1ncnc2c(Cl)cc([N+](=O)[O-])cc21 ZINC001330336901 1389390866 /nfs/dbraw/zinc/39/08/66/1389390866.db2.gz AMIJDEBGVCNEEZ-LLVKDONJSA-N 1 0 349.822 3.112 20 5 EGBDRO CCC[C@H](CC)C(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001338334359 1389642135 /nfs/dbraw/zinc/64/21/35/1389642135.db2.gz DCGHHZBEFYJHTC-AWEZNQCLSA-N 1 0 348.447 3.111 20 5 EGBDRO CN(C)c1ccc(CC[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)cc1 ZINC001331712641 1389858766 /nfs/dbraw/zinc/85/87/66/1389858766.db2.gz OUULVKRWUVCUTF-UHFFFAOYSA-N 1 0 340.383 3.134 20 5 EGBDRO CSC[C@H](CCO)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC001332229964 1390058229 /nfs/dbraw/zinc/05/82/29/1390058229.db2.gz BIWCKKOOLXYKEH-MNOVXSKESA-N 1 0 330.475 3.081 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1C ZINC001332739225 1390176174 /nfs/dbraw/zinc/17/61/74/1390176174.db2.gz QRYOXMSUPBUSTF-KBPBESRZSA-N 1 0 347.459 3.309 20 5 EGBDRO C[C@@H](NC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC001340991432 1390420875 /nfs/dbraw/zinc/42/08/75/1390420875.db2.gz NYXYPWWOJMIKIE-DYVFJYSZSA-N 1 0 341.411 3.498 20 5 EGBDRO CC[NH+](CC)C1CCN(C(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)CC1 ZINC001341586090 1390506595 /nfs/dbraw/zinc/50/65/95/1390506595.db2.gz GOAJGBBPLXWHEK-UHFFFAOYSA-N 1 0 347.459 3.466 20 5 EGBDRO CCOc1cc(N2CCCN(c3cc[nH+]cc3)CC2)ccc1[N+](=O)[O-] ZINC001334285345 1390511701 /nfs/dbraw/zinc/51/17/01/1390511701.db2.gz JCSOPIFLNCLZDX-UHFFFAOYSA-N 1 0 342.399 3.105 20 5 EGBDRO CCN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)CC1CC(C)(C)C1 ZINC001754063293 1440537197 /nfs/dbraw/zinc/53/71/97/1440537197.db2.gz ILRIOVSEDRHPJL-UHFFFAOYSA-N 1 0 347.459 3.359 20 5 EGBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)[C@@H](C)C[N@@H+]1C ZINC000351508909 719253146 /nfs/dbraw/zinc/25/31/46/719253146.db2.gz JIZDXYCYPBDLOS-KGLIPLIRSA-N 1 0 326.400 3.186 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)N2CCCCCC2)cc1[N+](=O)[O-] ZINC000178687934 232379193 /nfs/dbraw/zinc/37/91/93/232379193.db2.gz BWSIZPHDUBTRTR-GJZGRUSLSA-N 1 0 333.432 3.345 20 5 EGBDRO Cc1c(C[N@@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)cccc1[N+](=O)[O-] ZINC000179514826 233125799 /nfs/dbraw/zinc/12/57/99/233125799.db2.gz IBHJIJOFYMFAMH-OAHLLOKOSA-N 1 0 341.415 3.278 20 5 EGBDRO C[NH+](C)C[C@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000179633029 233252279 /nfs/dbraw/zinc/25/22/79/233252279.db2.gz KJBFWXTWQKJSMM-CQSZACIVSA-N 1 0 329.400 3.238 20 5 EGBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H](C)c2cccc(O)c2)cccc1[N+](=O)[O-] ZINC000181546768 234225926 /nfs/dbraw/zinc/22/59/26/234225926.db2.gz LIACTHHGUTVYCS-STQMWFEESA-N 1 0 343.383 3.287 20 5 EGBDRO CCCN(CC[NH+]1CCCCC1)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000353150654 283251103 /nfs/dbraw/zinc/25/11/03/283251103.db2.gz SJXVBTMLLNLZBN-UHFFFAOYSA-N 1 0 345.447 3.169 20 5 EGBDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000072809715 216309520 /nfs/dbraw/zinc/30/95/20/216309520.db2.gz QLXAJHHCJDKPSE-HOTGVXAUSA-N 1 0 345.443 3.321 20 5 EGBDRO CCSCC[C@H](C)[N@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000072900788 216326073 /nfs/dbraw/zinc/32/60/73/216326073.db2.gz OYQFBBAKBSLRIA-ZDUSSCGKSA-N 1 0 339.461 3.021 20 5 EGBDRO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000023738315 212392683 /nfs/dbraw/zinc/39/26/83/212392683.db2.gz RFBNMOYBLTYIHA-GOSISDBHSA-N 1 0 339.395 3.162 20 5 EGBDRO Nc1ccc([N+](=O)[O-])c(NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000193408887 240152675 /nfs/dbraw/zinc/15/26/75/240152675.db2.gz BIWFIVAVTOUJAA-INIZCTEOSA-N 1 0 340.427 3.154 20 5 EGBDRO CCC[C@H]([NH2+][C@@H]1CCO[C@@]2(CCOC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000364297798 283936463 /nfs/dbraw/zinc/93/64/63/283936463.db2.gz BELYQAKAFYGPMK-NJAFHUGGSA-N 1 0 334.416 3.364 20 5 EGBDRO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000236721971 242334888 /nfs/dbraw/zinc/33/48/88/242334888.db2.gz WUAQKMQYIKEOLS-CQSZACIVSA-N 1 0 335.404 3.084 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(CC[NH+](C)C)cc2)c1 ZINC000266012835 248029182 /nfs/dbraw/zinc/02/91/82/248029182.db2.gz INJKNDNSAYELAJ-UHFFFAOYSA-N 1 0 327.384 3.260 20 5 EGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](c3noc(C4CC4)n3)C2)cc1 ZINC000266142462 248127529 /nfs/dbraw/zinc/12/75/29/248127529.db2.gz UVHFYQCOSDYRDT-CQSZACIVSA-N 1 0 328.372 3.235 20 5 EGBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000263764047 284625668 /nfs/dbraw/zinc/62/56/68/284625668.db2.gz DDGNCLDHWQPDJR-HNNXBMFYSA-N 1 0 343.383 3.041 20 5 EGBDRO CCC[C@@H]1CN(C/C=C/c2ccccc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000091858087 218078417 /nfs/dbraw/zinc/07/84/17/218078417.db2.gz DELODEDGWIPXGY-AHKGRUIUSA-N 1 0 347.459 3.041 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@H]3CC[C@H](CO)CC3)cs2)c1 ZINC000153097284 224058092 /nfs/dbraw/zinc/05/80/92/224058092.db2.gz CQLDGIZJAHHPMB-XBXGTLAGSA-N 1 0 347.440 3.359 20 5 EGBDRO CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000268740439 252189785 /nfs/dbraw/zinc/18/97/85/252189785.db2.gz RSPPKBCZJOYOJP-NWDGAFQWSA-N 1 0 347.440 3.499 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@H]2C=C[C@H](CO)C2)s1 ZINC000268825241 252275293 /nfs/dbraw/zinc/27/52/93/252275293.db2.gz YPPBPGNLNVZJTI-QWHCGFSZSA-N 1 0 330.409 3.350 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)COc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000268852276 252300468 /nfs/dbraw/zinc/30/04/68/252300468.db2.gz PZCQTJKJUHKEGM-BBRMVZONSA-N 1 0 348.374 3.133 20 5 EGBDRO CNC(=O)C(C)(C)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000120258213 221528754 /nfs/dbraw/zinc/52/87/54/221528754.db2.gz OXJYOVAIMACLMU-UHFFFAOYSA-N 1 0 347.440 3.185 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCOc1ncccc1F ZINC000344818796 533409193 /nfs/dbraw/zinc/40/91/93/533409193.db2.gz VDWFRFLROXRGQJ-JLHYYAGUSA-N 1 0 331.347 3.201 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H](C)[C@@H]1C ZINC000246631873 141020666 /nfs/dbraw/zinc/02/06/66/141020666.db2.gz HVILLHFTRWVEFQ-OLZOCXBDSA-N 1 0 335.404 3.052 20 5 EGBDRO Cc1cc(NC(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000338357487 141106250 /nfs/dbraw/zinc/10/62/50/141106250.db2.gz OVLPWNJQDMVFEF-KGLIPLIRSA-N 1 0 334.420 3.288 20 5 EGBDRO Cc1cc(C(=O)N(C)CCC[N@H+](C)Cc2ccco2)ccc1[N+](=O)[O-] ZINC000356833205 141350711 /nfs/dbraw/zinc/35/07/11/141350711.db2.gz AHXHMIITZJWINX-UHFFFAOYSA-N 1 0 345.399 3.090 20 5 EGBDRO C[C@@H]([NH2+]CCNC(=O)c1ccccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000173412599 144041569 /nfs/dbraw/zinc/04/15/69/144041569.db2.gz KIFYPQVDHAXVFP-GFCCVEGCSA-N 1 0 347.802 3.329 20 5 EGBDRO C[C@@H]([NH2+]Cc1ccc(Cn2cncn2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000178641402 144073769 /nfs/dbraw/zinc/07/37/69/144073769.db2.gz KLKBMEQSZADJTN-CQSZACIVSA-N 1 0 337.383 3.085 20 5 EGBDRO CC1CC[NH+](Cc2ccc(NC(=O)c3cc([N+](=O)[O-])c[nH]3)cc2)CC1 ZINC000343216130 144195623 /nfs/dbraw/zinc/19/56/23/144195623.db2.gz DEMAPVMCSAAUCQ-UHFFFAOYSA-N 1 0 342.399 3.407 20 5 EGBDRO COc1ccc(C[NH2+]Cc2ccc(OC(C)(C)C)nc2)cc1[N+](=O)[O-] ZINC000180881932 533674968 /nfs/dbraw/zinc/67/49/68/533674968.db2.gz RQXXMBFDMFXTGC-UHFFFAOYSA-N 1 0 345.399 3.466 20 5 EGBDRO COc1ccc(-c2ccc(C[NH2+]CCC3(O)CCC3)o2)c([N+](=O)[O-])c1 ZINC000341337482 155239000 /nfs/dbraw/zinc/23/90/00/155239000.db2.gz XFWKNQYFUZLEQK-UHFFFAOYSA-N 1 0 346.383 3.258 20 5 EGBDRO C[S@](=O)CCC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000116918281 152081379 /nfs/dbraw/zinc/08/13/79/152081379.db2.gz HDUMCIPTYTXYLG-JOCHJYFZSA-N 1 0 338.454 3.182 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCC[C@@H]1C(C)C ZINC000117347344 152096931 /nfs/dbraw/zinc/09/69/31/152096931.db2.gz ONDILCSIQWSGBF-OAHLLOKOSA-N 1 0 335.404 3.052 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@H](O)Cc1ccccc1)CCC2 ZINC000192833845 153261815 /nfs/dbraw/zinc/26/18/15/153261815.db2.gz NURZLUYMCNCSDE-MJGOQNOKSA-N 1 0 326.396 3.165 20 5 EGBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(NC(N)=O)cc1 ZINC000192846942 153264013 /nfs/dbraw/zinc/26/40/13/153264013.db2.gz IOUXEQLDOVKNBN-NEPJUHHUSA-N 1 0 328.372 3.497 20 5 EGBDRO CC(C)CCSc1ccc(C(=O)NCC(C)(C)[NH3+])cc1[N+](=O)[O-] ZINC000236601181 153453452 /nfs/dbraw/zinc/45/34/52/153453452.db2.gz ZBGLHXJODLKPGB-UHFFFAOYSA-N 1 0 339.461 3.200 20 5 EGBDRO CC(C)[C@](C)(O)C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000304069489 154067143 /nfs/dbraw/zinc/06/71/43/154067143.db2.gz UYSNFSUGCYAKHO-MRXNPFEDSA-N 1 0 335.429 3.215 20 5 EGBDRO C[C@@H]1CCC[C@@](CNc2nc3sccn3c2[N+](=O)[O-])([NH+](C)C)C1 ZINC000319967960 154162789 /nfs/dbraw/zinc/16/27/89/154162789.db2.gz BVVXWJYUZWUTMU-IAQYHMDHSA-N 1 0 337.449 3.226 20 5 EGBDRO COc1cccc(NCC[N@H+](C)Cc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000337285098 154260920 /nfs/dbraw/zinc/26/09/20/154260920.db2.gz LMNQBBJNWDHGQY-UHFFFAOYSA-N 1 0 333.363 3.286 20 5 EGBDRO COc1ccc([C@@H](CNc2ccc([N+](=O)[O-])cc2)[NH+](C)C)cc1OC ZINC000339960996 155053177 /nfs/dbraw/zinc/05/31/77/155053177.db2.gz WDSLHIIOLPRPGV-MRXNPFEDSA-N 1 0 345.399 3.327 20 5 EGBDRO C[NH+](C)CCN(Cc1csc([N+](=O)[O-])c1)Cc1ccc(F)cc1 ZINC000349078929 156346077 /nfs/dbraw/zinc/34/60/77/156346077.db2.gz RJUZQXUPEYICTP-UHFFFAOYSA-N 1 0 337.420 3.359 20 5 EGBDRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000068134799 161602878 /nfs/dbraw/zinc/60/28/78/161602878.db2.gz DNQBSZOXVMGAAV-BBVFFXRHSA-N 1 0 343.427 3.085 20 5 EGBDRO COc1ccc(-c2ccc(C[NH2+][C@H]3CCCC[C@H]3O)o2)c([N+](=O)[O-])c1 ZINC000114215882 162224604 /nfs/dbraw/zinc/22/46/04/162224604.db2.gz RYWZTGWWBFOXPS-DOTOQJQBSA-N 1 0 346.383 3.257 20 5 EGBDRO CCn1nc(C)c([N+](=O)[O-])c1N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000248662065 163027218 /nfs/dbraw/zinc/02/72/18/163027218.db2.gz GEGJMOWCFNIPRE-CZUORRHYSA-N 1 0 343.431 3.052 20 5 EGBDRO C[C@@H](CCO)[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000304284121 163067821 /nfs/dbraw/zinc/06/78/21/163067821.db2.gz LBTYRHINDRYRMI-LBPRGKRZSA-N 1 0 334.347 3.387 20 5 EGBDRO CC[N@@H+]1CC[C@H](N(C)c2ccc([N+](=O)[O-])c3cnccc32)C[C@@H]1C ZINC000354354866 166008454 /nfs/dbraw/zinc/00/84/54/166008454.db2.gz RPLGRVQEODOWLM-KBPBESRZSA-N 1 0 328.416 3.452 20 5 EGBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C[C@H]1C ZINC000354400236 166013424 /nfs/dbraw/zinc/01/34/24/166013424.db2.gz QLIOHIHYRCGUHA-OCCSQVGLSA-N 1 0 345.399 3.286 20 5 EGBDRO CC[C@@]1(C)CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000344211238 164128178 /nfs/dbraw/zinc/12/81/78/164128178.db2.gz BAMPRSAFLUEQBU-KRWDZBQOSA-N 1 0 335.404 3.054 20 5 EGBDRO C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCCN1C ZINC000344370700 164165891 /nfs/dbraw/zinc/16/58/91/164165891.db2.gz YEMXDUUQXLNJIL-DYVFJYSZSA-N 1 0 329.400 3.427 20 5 EGBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000344593601 164195206 /nfs/dbraw/zinc/19/52/06/164195206.db2.gz MADAZZHABURXMH-JZXOWHBKSA-N 1 0 347.459 3.311 20 5 EGBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000346128039 164344402 /nfs/dbraw/zinc/34/44/02/164344402.db2.gz ZWIJQOMZZHULIL-AWEZNQCLSA-N 1 0 339.823 3.243 20 5 EGBDRO C[NH+](C)Cc1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000351655844 165117768 /nfs/dbraw/zinc/11/77/68/165117768.db2.gz OMIBPHQECUNEGT-UHFFFAOYSA-N 1 0 332.335 3.440 20 5 EGBDRO CC(C)[NH+]1CCC(N(C)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000352124016 165247027 /nfs/dbraw/zinc/24/70/27/165247027.db2.gz USBGWXHXQRGHJP-UHFFFAOYSA-N 1 0 327.375 3.178 20 5 EGBDRO COc1ccccc1[C@H]1CC[C@H](C)C[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000352249939 165307525 /nfs/dbraw/zinc/30/75/25/165307525.db2.gz AVULQOUKUAFXOZ-WMLDXEAASA-N 1 0 344.415 3.273 20 5 EGBDRO Cc1cc(NC(=O)N(C)CC[NH+](C(C)C)C(C)C)ccc1[N+](=O)[O-] ZINC000352882392 165549259 /nfs/dbraw/zinc/54/92/59/165549259.db2.gz ICICFDOOSCJKJY-UHFFFAOYSA-N 1 0 336.436 3.486 20 5 EGBDRO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1nc2c(s1)CCC2 ZINC000355130269 166114301 /nfs/dbraw/zinc/11/43/01/166114301.db2.gz YUBZMURHHFNTJD-NSHDSACASA-N 1 0 333.413 3.270 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)ccc1CN[C@H](CO)c1c(F)cccc1F ZINC000359522998 167178406 /nfs/dbraw/zinc/17/84/06/167178406.db2.gz RYYXKMXBHHUKJQ-CYBMUJFWSA-N 1 0 342.729 3.350 20 5 EGBDRO O=[N+]([O-])c1cccc(C[NH+]2CCC(O)(Cc3ccc(F)cc3)CC2)c1 ZINC000360615658 167369820 /nfs/dbraw/zinc/36/98/20/167369820.db2.gz ZZLDKXDREDVKBR-UHFFFAOYSA-N 1 0 344.386 3.304 20 5 EGBDRO Cc1cc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c2cccc([N+](=O)[O-])c2n1 ZINC000364862794 167993272 /nfs/dbraw/zinc/99/32/72/167993272.db2.gz IJCFSOHRSMPNGE-KGLIPLIRSA-N 1 0 326.400 3.490 20 5 EGBDRO C[C@H](C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Cn1ccnc1 ZINC000171051847 226858087 /nfs/dbraw/zinc/85/80/87/226858087.db2.gz DWRIKVJSAJFTER-CQSZACIVSA-N 1 0 340.383 3.477 20 5 EGBDRO COc1cc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC ZINC000122141713 222022726 /nfs/dbraw/zinc/02/27/26/222022726.db2.gz OUUYVSNCISPVGP-GFCCVEGCSA-N 1 0 346.383 3.471 20 5 EGBDRO CC[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)CC[C@@H]1c1ccccc1 ZINC000174888187 265078381 /nfs/dbraw/zinc/07/83/81/265078381.db2.gz SVHGWAAYGGCZOB-QAPCUYQASA-N 1 0 328.416 3.307 20 5 EGBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000175620077 265125900 /nfs/dbraw/zinc/12/59/00/265125900.db2.gz WYIIYDYLEYFJJF-HOCLYGCPSA-N 1 0 348.447 3.002 20 5 EGBDRO Cc1c(NC(=O)N(CC[NH+](C)C)C2CCCC2)cccc1[N+](=O)[O-] ZINC000176404235 265176629 /nfs/dbraw/zinc/17/66/29/265176629.db2.gz RGCKAMLJOLWGMN-UHFFFAOYSA-N 1 0 334.420 3.241 20 5 EGBDRO CCOC(=O)c1cc(NC[C@H](c2ccco2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000177048345 265225661 /nfs/dbraw/zinc/22/56/61/265225661.db2.gz UXPACSAFAJVGMN-OAHLLOKOSA-N 1 0 347.371 3.079 20 5 EGBDRO C[C@H]([NH3+])c1ccc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)cc1 ZINC000178207929 265300196 /nfs/dbraw/zinc/30/01/96/265300196.db2.gz VTZSYPOXTPKOIG-NSHDSACASA-N 1 0 340.383 3.441 20 5 EGBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H]2CCCC2(C)C)c([N+](=O)[O-])c1 ZINC000191856592 265936617 /nfs/dbraw/zinc/93/66/17/265936617.db2.gz JQNUFVVTBWXHCY-NHYWBVRUSA-N 1 0 335.404 3.099 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000269408804 266288758 /nfs/dbraw/zinc/28/87/58/266288758.db2.gz IPASMROVEJRAMV-CZUORRHYSA-N 1 0 331.416 3.057 20 5 EGBDRO C[C@@H]1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@H](c2ccccc2)CO1 ZINC000269670481 266338356 /nfs/dbraw/zinc/33/83/56/266338356.db2.gz UJHKUTCWPDFQIY-CCKFTAQKSA-N 1 0 342.395 3.090 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@@H](c3ccc(F)cc3)C2)c1 ZINC000269673341 266339766 /nfs/dbraw/zinc/33/97/66/266339766.db2.gz VKQSKYKFBHCYLO-CRAIPNDOSA-N 1 0 330.359 3.257 20 5 EGBDRO C[C@@H](NC(=O)c1ccc(F)cc1[N+](=O)[O-])[C@H](c1ccccc1)[NH+](C)C ZINC000274570788 267255494 /nfs/dbraw/zinc/25/54/94/267255494.db2.gz ATEXCLLASSSJSA-SJKOYZFVSA-N 1 0 345.374 3.155 20 5 EGBDRO CC(=O)c1ccc(N2CC[NH+](CCC(C)(C)C)CC2)c([N+](=O)[O-])c1 ZINC000054838762 273496551 /nfs/dbraw/zinc/49/65/51/273496551.db2.gz JOQDHACTAJZECC-UHFFFAOYSA-N 1 0 333.432 3.356 20 5 EGBDRO Cc1nc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)sc1C ZINC000112532132 274843589 /nfs/dbraw/zinc/84/35/89/274843589.db2.gz PTHMJAHVQPTDMI-GHMZBOCLSA-N 1 0 348.428 3.346 20 5 EGBDRO Cc1ccc(C(=O)Nc2ccc(OCC[NH+](C)C)cc2)cc1[N+](=O)[O-] ZINC000046721374 275138447 /nfs/dbraw/zinc/13/84/47/275138447.db2.gz OCXHMDDLEMAIAS-UHFFFAOYSA-N 1 0 343.383 3.096 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCc3nccn3C1)CCC2 ZINC000279025976 275297021 /nfs/dbraw/zinc/29/70/21/275297021.db2.gz VLJOHRFVDUROMQ-DYVFJYSZSA-N 1 0 326.400 3.021 20 5 EGBDRO CC1(C)C[C@@H]([NH2+]CCCO[C@@H]2CCOC2)c2cc([N+](=O)[O-])ccc21 ZINC000279084948 275302618 /nfs/dbraw/zinc/30/26/18/275302618.db2.gz MZFHCHQOYUHOAC-RHSMWYFYSA-N 1 0 334.416 3.102 20 5 EGBDRO C[C@H](CO[C@@H]1CCOC1)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279124595 275305833 /nfs/dbraw/zinc/30/58/33/275305833.db2.gz QHQVDELHQASHOD-MRRJBJDNSA-N 1 0 334.416 3.101 20 5 EGBDRO CC[C@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000279366524 275325715 /nfs/dbraw/zinc/32/57/15/275325715.db2.gz WSTQVCWRCWCKPM-GWCFXTLKSA-N 1 0 325.796 3.355 20 5 EGBDRO C[NH+](C)CC1(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CCC1 ZINC000281027287 275515716 /nfs/dbraw/zinc/51/57/16/275515716.db2.gz HLAHJYLXBYBDDB-UHFFFAOYSA-N 1 0 333.413 3.024 20 5 EGBDRO CC(C)CC(=O)N1CCC([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000178083578 275560969 /nfs/dbraw/zinc/56/09/69/275560969.db2.gz XRESEFPBWMQHAC-AWEZNQCLSA-N 1 0 333.432 3.283 20 5 EGBDRO CN(C(=O)C[N@H+](C)C1CCC(F)(F)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000287023759 276072507 /nfs/dbraw/zinc/07/25/07/276072507.db2.gz RRNJFKYKJPZVKR-UHFFFAOYSA-N 1 0 341.358 3.067 20 5 EGBDRO CSc1ccc(C(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000287202693 276096014 /nfs/dbraw/zinc/09/60/14/276096014.db2.gz PKUQBOSVFYYCNM-JSGCOSHPSA-N 1 0 349.456 3.016 20 5 EGBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000288884492 276263461 /nfs/dbraw/zinc/26/34/61/276263461.db2.gz MSRJUFAFZMVFBC-AWEZNQCLSA-N 1 0 347.419 3.270 20 5 EGBDRO CC(=O)Nc1ccc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000289596202 276363714 /nfs/dbraw/zinc/36/37/14/276363714.db2.gz UYWGGAQTZLFYQO-UHFFFAOYSA-N 1 0 327.384 3.228 20 5 EGBDRO Cn1cc(C[NH2+]CC2CC(F)(F)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000291769618 276688576 /nfs/dbraw/zinc/68/85/76/276688576.db2.gz SSENFWOJAVXWAT-UHFFFAOYSA-N 1 0 336.342 3.130 20 5 EGBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1ncnc2cccc([N+](=O)[O-])c21 ZINC000347425115 278266892 /nfs/dbraw/zinc/26/68/92/278266892.db2.gz ZJSVOIFOAQONTJ-MCIONIFRSA-N 1 0 343.431 3.316 20 5 EGBDRO Cc1cc(C(=O)N2C[C@@H]([NH+](C)C)Cc3ccccc32)ccc1[N+](=O)[O-] ZINC000067203640 278641881 /nfs/dbraw/zinc/64/18/81/278641881.db2.gz AUJXRGFYWWFEGY-INIZCTEOSA-N 1 0 339.395 3.036 20 5 EGBDRO Cc1cc(C(=O)N2C[C@@H]([NH+](C)C)Cc3ccccc32)cc([N+](=O)[O-])c1 ZINC000109112769 280340676 /nfs/dbraw/zinc/34/06/76/280340676.db2.gz GEDVYMNEEHPPJO-KRWDZBQOSA-N 1 0 339.395 3.036 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+][C@H]1CCc2c[nH]nc2C1 ZINC000366827122 280374839 /nfs/dbraw/zinc/37/48/39/280374839.db2.gz WDMYFHHTAPKKHM-RRQGHBQHSA-N 1 0 340.427 3.176 20 5 EGBDRO NC(=O)c1ccc(C[N@@H+]2CCC[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000057463290 303343597 /nfs/dbraw/zinc/34/35/97/303343597.db2.gz DSEVZQVWYGTQTF-INIZCTEOSA-N 1 0 325.368 3.031 20 5 EGBDRO CC(C)[NH+](CCNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000057508284 307346740 /nfs/dbraw/zinc/34/67/40/307346740.db2.gz VDDRTLQRCHVCLT-CQSZACIVSA-N 1 0 336.436 3.074 20 5 EGBDRO C[N@H+](CCCNC(=O)NCc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000067536883 307366168 /nfs/dbraw/zinc/36/61/68/307366168.db2.gz AZAZAOWAWYXBLP-UHFFFAOYSA-N 1 0 348.447 3.049 20 5 EGBDRO CC[NH+](CC)[C@@H]1CCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000127409963 307584468 /nfs/dbraw/zinc/58/44/68/307584468.db2.gz SRVLUUMPDPAIOK-CQSZACIVSA-N 1 0 343.374 3.112 20 5 EGBDRO C[C@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1cc2n(n1)CCC2 ZINC000414108543 309061369 /nfs/dbraw/zinc/06/13/69/309061369.db2.gz LYKJKIKFCXRXPB-NSHDSACASA-N 1 0 334.807 3.284 20 5 EGBDRO CC(C)N(CC[NH+](C)C)C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000151892771 307741205 /nfs/dbraw/zinc/74/12/05/307741205.db2.gz KOIKNJOZISMIDZ-UHFFFAOYSA-N 1 0 335.448 3.305 20 5 EGBDRO CC(C)(C)CC(=O)N1CCC([NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000152201092 307747579 /nfs/dbraw/zinc/74/75/79/307747579.db2.gz LFNUJUURLCJEPO-UHFFFAOYSA-N 1 0 347.459 3.154 20 5 EGBDRO CC(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000152949505 307762604 /nfs/dbraw/zinc/76/26/04/307762604.db2.gz JNMXFEYYGJOFKL-ZDUSSCGKSA-N 1 0 345.424 3.034 20 5 EGBDRO Cc1ccc(CC[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)cn1 ZINC000161546669 307903991 /nfs/dbraw/zinc/90/39/91/307903991.db2.gz OYJCNYMUUCDRCG-SFHVURJKSA-N 1 0 325.412 3.452 20 5 EGBDRO C[N@@H+]1CCC[C@]2(CCN(c3ccc([N+](=O)[O-])c(OC(F)F)c3)C2)C1 ZINC000292830918 308070474 /nfs/dbraw/zinc/07/04/74/308070474.db2.gz PTBXOXPPXNYYOO-INIZCTEOSA-N 1 0 341.358 3.118 20 5 EGBDRO Cc1ccccc1C(C)(C)[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000292968443 308085413 /nfs/dbraw/zinc/08/54/13/308085413.db2.gz MDYLLSIBETZMCK-UHFFFAOYSA-N 1 0 327.384 3.367 20 5 EGBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000293329862 308120841 /nfs/dbraw/zinc/12/08/41/308120841.db2.gz JLFRJHAALSQAEU-UONOGXRCSA-N 1 0 348.447 3.002 20 5 EGBDRO C[C@H]([NH2+]Cc1ccc(OCC2CC2)nc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293648744 308149421 /nfs/dbraw/zinc/14/94/21/308149421.db2.gz ILAINQQNZLIERX-LBPRGKRZSA-N 1 0 342.399 3.212 20 5 EGBDRO C[C@@H]([NH2+]Cc1ccc(OCC2CC2)nc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293648735 308149445 /nfs/dbraw/zinc/14/94/45/308149445.db2.gz ILAINQQNZLIERX-GFCCVEGCSA-N 1 0 342.399 3.212 20 5 EGBDRO COc1ccc(OC)c(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000293667952 308151323 /nfs/dbraw/zinc/15/13/23/308151323.db2.gz JNPFABNVXUJOBH-NSHDSACASA-N 1 0 331.372 3.045 20 5 EGBDRO CCC[C@H](C)C(=O)NCC[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000293802072 308163020 /nfs/dbraw/zinc/16/30/20/308163020.db2.gz VDEZOEXLOLLWTN-GJZGRUSLSA-N 1 0 335.448 3.058 20 5 EGBDRO CC[NH+](CC)[C@@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])c1ccsc1 ZINC000294554843 308231665 /nfs/dbraw/zinc/23/16/65/308231665.db2.gz RGJYZRRJNJSFQA-AWEZNQCLSA-N 1 0 341.477 3.083 20 5 EGBDRO C[N@@H+]1CCC[C@]2(CCN(c3nccc4cc([N+](=O)[O-])ccc43)C2)C1 ZINC000294964452 308276624 /nfs/dbraw/zinc/27/66/24/308276624.db2.gz NRSXCPUIFGXYGZ-SFHVURJKSA-N 1 0 326.400 3.065 20 5 EGBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](CCc3cscn3)CC2)cc1 ZINC000295134638 308295541 /nfs/dbraw/zinc/29/55/41/308295541.db2.gz YQCMGWMHVBPXDK-UHFFFAOYSA-N 1 0 333.413 3.137 20 5 EGBDRO CC(C)[N@H+](Cc1cnn(CC(F)F)c1)Cc1ccc([N+](=O)[O-])cc1 ZINC000295314485 308313705 /nfs/dbraw/zinc/31/37/05/308313705.db2.gz KWPGXZMNXXNRBS-UHFFFAOYSA-N 1 0 338.358 3.467 20 5 EGBDRO C[C@H]1[C@@H](CO)CCC[N@@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000414589273 309091039 /nfs/dbraw/zinc/09/10/39/309091039.db2.gz WPUNRZILZKATRI-GXTWGEPZSA-N 1 0 347.440 3.311 20 5 EGBDRO O=[N+]([O-])c1ccc2c(ccnc2N2CC[C@H]([NH+]3CCCCC3)C2)c1 ZINC000297075760 308496490 /nfs/dbraw/zinc/49/64/90/308496490.db2.gz JQSWNOQYQQVQFL-INIZCTEOSA-N 1 0 326.400 3.208 20 5 EGBDRO O=C(Nc1cccc(C[NH+]2CCCCC2)c1)c1ccc([N+](=O)[O-])[nH]1 ZINC000298946673 308650576 /nfs/dbraw/zinc/65/05/76/308650576.db2.gz JLPQCTKQVDNDMZ-UHFFFAOYSA-N 1 0 328.372 3.161 20 5 EGBDRO C[C@@H]1C[NH+](CCCNc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000301068998 308687011 /nfs/dbraw/zinc/68/70/11/308687011.db2.gz GYCPEWCLOLEJHT-VXGBXAGGSA-N 1 0 327.812 3.159 20 5 EGBDRO CC(C)NC(=O)c1ccc(N[C@H](C)C[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000301530159 308704026 /nfs/dbraw/zinc/70/40/26/308704026.db2.gz PAKFYAPQVHYZIH-CQSZACIVSA-N 1 0 348.447 3.019 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CC[C@H]([NH+]3CC=CC3)C2)nc1-c1ccccc1 ZINC000301853904 308718539 /nfs/dbraw/zinc/71/85/39/308718539.db2.gz HGOWHJFQWQJDEH-INIZCTEOSA-N 1 0 336.395 3.107 20 5 EGBDRO CC(C)C[C@@H](CNc1c(Br)cncc1[N+](=O)[O-])[NH+](C)C ZINC000301857539 308718670 /nfs/dbraw/zinc/71/86/70/308718670.db2.gz CKMWRJBOAOKLTB-JTQLQIEISA-N 1 0 345.241 3.141 20 5 EGBDRO C[NH+](C)C1(CNc2ncc([N+](=O)[O-])cc2C(F)(F)F)CCCC1 ZINC000413097430 309015928 /nfs/dbraw/zinc/01/59/28/309015928.db2.gz RNPJAFSIWWUOTR-UHFFFAOYSA-N 1 0 332.326 3.295 20 5 EGBDRO C[NH+]1CCC([C@@H]2CCN(c3ccc([N+](=O)[O-])c4ncccc34)C2)CC1 ZINC000413208369 309021581 /nfs/dbraw/zinc/02/15/81/309021581.db2.gz SKWWPYBNLLSZDN-OAHLLOKOSA-N 1 0 340.427 3.311 20 5 EGBDRO CN(c1ccccc1)c1ccc(CNCC2([NH3+])CCC2)cc1[N+](=O)[O-] ZINC000414871132 309106518 /nfs/dbraw/zinc/10/65/18/309106518.db2.gz CZJPPZRTCJPCPY-UHFFFAOYSA-N 1 0 340.427 3.334 20 5 EGBDRO CN(c1ccccc1)c1ccc(CNC[C@H]([NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000414892610 309107777 /nfs/dbraw/zinc/10/77/77/309107777.db2.gz QHCJBOPMWRISIS-KRWDZBQOSA-N 1 0 340.427 3.190 20 5 EGBDRO COc1ccc(-c2ccc(CNCCC[NH2+]C3CC3)o2)c([N+](=O)[O-])c1 ZINC000415064017 309117667 /nfs/dbraw/zinc/11/76/67/309117667.db2.gz BJGZGTLJNAXAQR-UHFFFAOYSA-N 1 0 345.399 3.095 20 5 EGBDRO C[NH2+]Cc1cccc(NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000415931106 309149397 /nfs/dbraw/zinc/14/93/97/309149397.db2.gz LQFUILQEFITMDB-UHFFFAOYSA-N 1 0 342.399 3.021 20 5 EGBDRO CC(C)(C)NC(=O)CC[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417310558 309201267 /nfs/dbraw/zinc/20/12/67/309201267.db2.gz LXDCICPVUXLISG-INIZCTEOSA-N 1 0 333.432 3.257 20 5 EGBDRO CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417318905 309201469 /nfs/dbraw/zinc/20/14/69/309201469.db2.gz ZQXNPBPZHIUACP-IEBWSBKVSA-N 1 0 349.475 3.309 20 5 EGBDRO CCNC(=O)C(C)(C)C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417323362 309201540 /nfs/dbraw/zinc/20/15/40/309201540.db2.gz XXZKLTXCWUUXFY-INIZCTEOSA-N 1 0 333.432 3.114 20 5 EGBDRO COCCN1CCC([NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000417346304 309202505 /nfs/dbraw/zinc/20/25/05/309202505.db2.gz VSWGSWIUTHNZCC-LJQANCHMSA-N 1 0 347.459 3.063 20 5 EGBDRO CC[C@H](C)NC(=O)CC[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417346578 309202518 /nfs/dbraw/zinc/20/25/18/309202518.db2.gz VWJGPBNXZQDOQU-SUMWQHHRSA-N 1 0 333.432 3.257 20 5 EGBDRO COCCOCCCC[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417344595 309202523 /nfs/dbraw/zinc/20/25/23/309202523.db2.gz SJUIFULXESOAQK-SFHVURJKSA-N 1 0 336.432 3.395 20 5 EGBDRO Cc1ccc([C@@H](C)NC(=O)NC[C@H]2[NH2+]CCCC2(C)C)cc1[N+](=O)[O-] ZINC000417820175 309223946 /nfs/dbraw/zinc/22/39/46/309223946.db2.gz CMRRMRWAQIQMSV-CZUORRHYSA-N 1 0 348.447 3.042 20 5 EGBDRO Cc1ccc([C@H](C)NC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)cc1[N+](=O)[O-] ZINC000417859645 309225519 /nfs/dbraw/zinc/22/55/19/309225519.db2.gz WVCPWLWQPHZDNW-KKUMJFAQSA-N 1 0 348.447 3.029 20 5 EGBDRO CC[C@@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)[C@@H]1CC1(C)C ZINC000419315386 309264317 /nfs/dbraw/zinc/26/43/17/309264317.db2.gz JTBZJWMXRBCHGG-UONOGXRCSA-N 1 0 349.431 3.346 20 5 EGBDRO CC[C@H]([NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)[C@@H]1CC1(C)C ZINC000419325940 309264416 /nfs/dbraw/zinc/26/44/16/309264416.db2.gz XREMAFAIAVBISZ-KBPBESRZSA-N 1 0 347.415 3.307 20 5 EGBDRO COCC1CCC([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000419811117 309272460 /nfs/dbraw/zinc/27/24/60/309272460.db2.gz FXWRSTHTUMOQHN-UHFFFAOYSA-N 1 0 344.358 3.491 20 5 EGBDRO C[C@H]1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)[C@@H](C[NH3+])C1 ZINC000420261258 309278502 /nfs/dbraw/zinc/27/85/02/309278502.db2.gz PGJQNWOJEZNWKH-SMDDNHRTSA-N 1 0 332.429 3.282 20 5 EGBDRO [NH3+][C@H]1CCC[C@@H](CNc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000420293495 309279619 /nfs/dbraw/zinc/27/96/19/309279619.db2.gz YATMRMGQTLMWSZ-ZJUUUORDSA-N 1 0 328.210 3.287 20 5 EGBDRO COC1([C@@H](C)[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])CCOCC1 ZINC000421404701 309323327 /nfs/dbraw/zinc/32/33/27/309323327.db2.gz PYHRVNQKMGTXNZ-LSDHHAIUSA-N 1 0 336.432 3.090 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000421799609 309340594 /nfs/dbraw/zinc/34/05/94/309340594.db2.gz FGCHDGAYUNBBJB-HNNXBMFYSA-N 1 0 333.432 3.206 20 5 EGBDRO COC1([C@@H](C)[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CCOCC1 ZINC000421866724 309344239 /nfs/dbraw/zinc/34/42/39/309344239.db2.gz NYRGFHXEQBGUJS-CXAGYDPISA-N 1 0 348.443 3.491 20 5 EGBDRO C[C@H]([NH3+])c1ccc(C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000423272313 309393550 /nfs/dbraw/zinc/39/35/50/309393550.db2.gz JUPGRQQBQPOKSK-LBPRGKRZSA-N 1 0 327.384 3.280 20 5 EGBDRO C[NH+](C)C[C@@H]1CCc2ccccc2N1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000425630627 309488739 /nfs/dbraw/zinc/48/87/39/309488739.db2.gz SAFZYDRJMSWBSC-ZDUSSCGKSA-N 1 0 345.424 3.180 20 5 EGBDRO CC1(C)C[C@@H]([NH2+][C@H]2CCc3n[nH]cc3C2)c2cc([N+](=O)[O-])ccc21 ZINC000433222106 309682622 /nfs/dbraw/zinc/68/26/22/309682622.db2.gz SZIABIDOVBDAGZ-YVEFUNNKSA-N 1 0 326.400 3.187 20 5 EGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(Cc2nccn2C)CC1 ZINC000441319363 309867895 /nfs/dbraw/zinc/86/78/95/309867895.db2.gz UTDFKSTYIJPPEC-CQSZACIVSA-N 1 0 328.416 3.344 20 5 EGBDRO CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444680465 309925429 /nfs/dbraw/zinc/92/54/29/309925429.db2.gz PJFWAUKTFDMHED-HOCLYGCPSA-N 1 0 332.404 3.154 20 5 EGBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCc2ccc(F)cc2)n1 ZINC000447514510 309980395 /nfs/dbraw/zinc/98/03/95/309980395.db2.gz FSWUUOXJUHYVOK-CVEARBPZSA-N 1 0 332.379 3.246 20 5 EGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@H]2C[C@@H]2Cc2ccccc2)n1 ZINC000447582007 309983155 /nfs/dbraw/zinc/98/31/55/309983155.db2.gz XBJRPTGVHBWCTF-XLAORIBOSA-N 1 0 340.427 3.496 20 5 EGBDRO C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)Oc1ccccc1 ZINC000447582395 309983220 /nfs/dbraw/zinc/98/32/20/309983220.db2.gz ZMDOOKYCGGSPHR-OIISXLGYSA-N 1 0 344.415 3.332 20 5 EGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCC[C@@H]2CCCCO2)n1 ZINC000447604699 309984144 /nfs/dbraw/zinc/98/41/44/309984144.db2.gz CIGPOTYZZOSWNP-ARFHVFGLSA-N 1 0 336.436 3.214 20 5 EGBDRO COCC[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@H]1CCCSC1 ZINC000448375628 310003416 /nfs/dbraw/zinc/00/34/16/310003416.db2.gz UTVOLTYUQHLXCE-RRGWEWPQSA-N 1 0 336.457 3.452 20 5 EGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000449062018 310033876 /nfs/dbraw/zinc/03/38/76/310033876.db2.gz KHCJCFFWLIMYIM-ZDUSSCGKSA-N 1 0 328.368 3.087 20 5 EGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCN(Cc2ccccc2)C1 ZINC000449063785 310034142 /nfs/dbraw/zinc/03/41/42/310034142.db2.gz NUPRNBNDIGYYLI-APWZRJJASA-N 1 0 339.439 3.390 20 5 EGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](CCO)c1ccccc1 ZINC000449155287 310040889 /nfs/dbraw/zinc/04/08/89/310040889.db2.gz AUUYTCFWFFGOOH-QAPCUYQASA-N 1 0 328.412 3.282 20 5 EGBDRO Cc1cn2c(n1)[C@H](C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])CCC2 ZINC000449166081 310041701 /nfs/dbraw/zinc/04/17/01/310041701.db2.gz BSILXJUIGSJUHE-BBRMVZONSA-N 1 0 328.416 3.198 20 5 EGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCOc1ccc(Cl)cn1 ZINC000449185282 310043086 /nfs/dbraw/zinc/04/30/86/310043086.db2.gz NQBRKJMTVYMEMG-GFCCVEGCSA-N 1 0 335.791 3.243 20 5 EGBDRO COCC[C@@H](Cc1ccco1)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449234166 310046529 /nfs/dbraw/zinc/04/65/29/310046529.db2.gz PADNMODBVYDSNQ-HOCLYGCPSA-N 1 0 332.400 3.356 20 5 EGBDRO COC(=O)C1(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])CCCCC1 ZINC000449238362 310046646 /nfs/dbraw/zinc/04/66/46/310046646.db2.gz GBPSHONZEPZKHB-AWEZNQCLSA-N 1 0 334.416 3.239 20 5 EGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCO[C@@H]1c1cccnc1 ZINC000449313170 310052517 /nfs/dbraw/zinc/05/25/17/310052517.db2.gz VEUJYIAJEGWGTO-RPVQJOFSSA-N 1 0 327.384 3.041 20 5 EGBDRO CC/C=C\C[NH2+]Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000449460315 310063815 /nfs/dbraw/zinc/06/38/15/310063815.db2.gz RHVVMHAUFVJYAT-PLNGDYQASA-N 1 0 330.331 3.303 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](Cc3cnc4cnccn34)C2)cc1 ZINC000449499613 310067226 /nfs/dbraw/zinc/06/72/26/310067226.db2.gz MJGDYVKCXSXHTH-OAHLLOKOSA-N 1 0 337.383 3.017 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000449588009 310074110 /nfs/dbraw/zinc/07/41/10/310074110.db2.gz KAMZPBOUUHVKKZ-NOCIGQNYSA-N 1 0 332.444 3.447 20 5 EGBDRO CC(C)CCSc1ccc(C(=O)N[C@@H](C)[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000449590656 310074221 /nfs/dbraw/zinc/07/42/21/310074221.db2.gz LMGDWHQZUSDKBD-NEPJUHHUSA-N 1 0 339.461 3.199 20 5 EGBDRO COC(=O)[C@@H]1C[N@H+](Cc2csc([N+](=O)[O-])c2)C[C@@H]1c1ccccc1 ZINC000449754491 310084556 /nfs/dbraw/zinc/08/45/56/310084556.db2.gz LRODHCUQSBFQKU-HUUCEWRRSA-N 1 0 346.408 3.045 20 5 EGBDRO C[C@@H]1C[NH+](CCCNc2nccc3cc([N+](=O)[O-])ccc32)C[C@@H](C)O1 ZINC000450241470 310110612 /nfs/dbraw/zinc/11/06/12/310110612.db2.gz JCWSJXGQFSGHAN-ZIAGYGMSSA-N 1 0 344.415 3.054 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2csc(N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)n2)cc1 ZINC000450252654 310111249 /nfs/dbraw/zinc/11/12/49/310111249.db2.gz JJLZIDZZEAXKBS-HIFRSBDPSA-N 1 0 344.440 3.179 20 5 EGBDRO O=[N+]([O-])c1cccc2c1ccnc2N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000450359859 310117731 /nfs/dbraw/zinc/11/77/31/310117731.db2.gz YHXWMXPTHZZEMV-HNNXBMFYSA-N 1 0 340.427 3.455 20 5 EGBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000450415454 310121167 /nfs/dbraw/zinc/12/11/67/310121167.db2.gz BHUJRMCURQVXKM-RYUDHWBXSA-N 1 0 332.429 3.247 20 5 EGBDRO CC(C)[N@@H+]1CCCC[C@H]1CN1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000451051969 310157849 /nfs/dbraw/zinc/15/78/49/310157849.db2.gz WMSJUTIGFISIRE-KRWDZBQOSA-N 1 0 333.432 3.052 20 5 EGBDRO C[C@H](c1ccccc1)N(C)C(=O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000451100968 310160610 /nfs/dbraw/zinc/16/06/10/310160610.db2.gz ZSKORHHBBHIXJU-LSDHHAIUSA-N 1 0 341.411 3.465 20 5 EGBDRO CC(C)n1nccc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000451103681 310160778 /nfs/dbraw/zinc/16/07/78/310160778.db2.gz IVQYDKPGQUDWRD-STQMWFEESA-N 1 0 345.403 3.050 20 5 EGBDRO CO[C@@H]1CC[N@@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]1C ZINC000451560817 310186566 /nfs/dbraw/zinc/18/65/66/310186566.db2.gz IHXZVPWRMGDZGW-YWPYICTPSA-N 1 0 346.387 3.063 20 5 EGBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@]2(CCSC2)C1 ZINC000451982374 310206509 /nfs/dbraw/zinc/20/65/09/310206509.db2.gz TYMIAHDBHJTQKQ-CXAGYDPISA-N 1 0 349.456 3.141 20 5 EGBDRO COc1ccc(NC(=O)C[NH2+][C@@H](C)[C@@H]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000452070061 310210019 /nfs/dbraw/zinc/21/00/19/310210019.db2.gz OPBVECRXXQLIBV-HZSPNIEDSA-N 1 0 349.431 3.346 20 5 EGBDRO CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452846642 310245264 /nfs/dbraw/zinc/24/52/64/310245264.db2.gz KHCKPCVBKFUSNG-WMZOPIPTSA-N 1 0 345.443 3.175 20 5 EGBDRO CCN(C)C(=O)[C@@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)C(C)C ZINC000453283148 310269077 /nfs/dbraw/zinc/26/90/77/310269077.db2.gz MFGBJZDVNPNCAA-SJORKVTESA-N 1 0 333.432 3.065 20 5 EGBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCO[C@@H](c3nccn3C)C2)cccc1[N+](=O)[O-] ZINC000453392349 310274555 /nfs/dbraw/zinc/27/45/55/310274555.db2.gz HWZOHDAHRCKWDB-JJRVBVJISA-N 1 0 344.415 3.208 20 5 EGBDRO Cc1cnc(CC[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])cn1 ZINC000453411444 310275735 /nfs/dbraw/zinc/27/57/35/310275735.db2.gz VNJKDCFOWYJPFP-MAUKXSAKSA-N 1 0 340.427 3.237 20 5 EGBDRO C[C@H](NC(=O)NCC(C)(C)[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000454186265 310296180 /nfs/dbraw/zinc/29/61/80/310296180.db2.gz AWQDUSJUQQWMMA-AWEZNQCLSA-N 1 0 348.447 3.220 20 5 EGBDRO C[C@H](NC(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000454261485 310300010 /nfs/dbraw/zinc/30/00/10/310300010.db2.gz RDHZHCRVLKXXPA-ILXRZTDVSA-N 1 0 348.447 3.218 20 5 EGBDRO CC[C@H](C(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)[NH+](CC)CC ZINC000456140006 310390343 /nfs/dbraw/zinc/39/03/43/310390343.db2.gz LGJZXLRFNUVWKC-FUHWJXTLSA-N 1 0 347.459 3.421 20 5 EGBDRO O=[N+]([O-])c1ccn(C2CC[NH+](CC3CCC(F)(F)CC3)CC2)n1 ZINC000459415645 310551152 /nfs/dbraw/zinc/55/11/52/310551152.db2.gz BIEKQPWCCSGZLQ-UHFFFAOYSA-N 1 0 328.363 3.254 20 5 EGBDRO Cc1cc(N2CCC[C@@H]([NH+](C)C)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461771249 310592536 /nfs/dbraw/zinc/59/25/36/310592536.db2.gz ZFHYXHBYMSQTGD-LLVKDONJSA-N 1 0 331.338 3.452 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H](C)c1nnc2ccccn21 ZINC000468640069 310691436 /nfs/dbraw/zinc/69/14/36/310691436.db2.gz HZSQRJNKWLSRJX-UELRPHRMSA-N 1 0 337.383 3.392 20 5 EGBDRO CCc1ccc(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000471286761 310735877 /nfs/dbraw/zinc/73/58/77/310735877.db2.gz LDFWFVVEAJGRKL-GOSISDBHSA-N 1 0 341.411 3.190 20 5 EGBDRO O=[N+]([O-])c1cc2ccccc2nc1NC1CC[NH+](C2CCCC2)CC1 ZINC000473512346 310776104 /nfs/dbraw/zinc/77/61/04/310776104.db2.gz HGBCGOZUIMZJMI-UHFFFAOYSA-N 1 0 340.427 3.384 20 5 EGBDRO COc1cccc(NC[C@@H](Cc2ccccc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000475454641 310812610 /nfs/dbraw/zinc/81/26/10/310812610.db2.gz YYZZJQKUQRPJIS-OAHLLOKOSA-N 1 0 329.400 3.188 20 5 EGBDRO C[C@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)C(F)(F)F ZINC000479580906 310878339 /nfs/dbraw/zinc/87/83/39/310878339.db2.gz HNDLGSNWBHNZIY-SSDOTTSWSA-N 1 0 328.237 3.484 20 5 EGBDRO CC1CCN(CC[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000480608591 310897551 /nfs/dbraw/zinc/89/75/51/310897551.db2.gz KHSHZHCJCKGOQB-SFHVURJKSA-N 1 0 331.460 3.237 20 5 EGBDRO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])[C@@H]1OC ZINC000482526538 310933746 /nfs/dbraw/zinc/93/37/46/310933746.db2.gz DKYLFVCOWQSWQN-MCLUSKDASA-N 1 0 348.443 3.088 20 5 EGBDRO C[C@](CO)(C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000483657341 310953980 /nfs/dbraw/zinc/95/39/80/310953980.db2.gz HQJFECHMVRRVMB-RVPHRTOXSA-N 1 0 340.423 3.439 20 5 EGBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)C[C@@H](C)C1 ZINC000488752900 311078312 /nfs/dbraw/zinc/07/83/12/311078312.db2.gz YRFFOFZUYFOPGR-PJIJBLCYSA-N 1 0 340.427 3.310 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@@H](Oc3ncccc3F)C2)cc1 ZINC000488975985 311087531 /nfs/dbraw/zinc/08/75/31/311087531.db2.gz HLXSTQZZGUVGOL-MRXNPFEDSA-N 1 0 345.374 3.215 20 5 EGBDRO CCOc1cc(C[N@H+](CCO)Cc2ccc(C)cc2)ccc1[N+](=O)[O-] ZINC000491605549 311186325 /nfs/dbraw/zinc/18/63/25/311186325.db2.gz WRVCHELPUWRUSF-UHFFFAOYSA-N 1 0 344.411 3.296 20 5 EGBDRO CC(C)(C)OC(=O)NC(C)(C)C[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000495306864 311549374 /nfs/dbraw/zinc/54/93/74/311549374.db2.gz JZRDRKJZMODXBN-UHFFFAOYSA-N 1 0 337.420 3.030 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000497705069 311867032 /nfs/dbraw/zinc/86/70/32/311867032.db2.gz LESJTWIHIGNESP-UHFFFAOYSA-N 1 0 333.432 3.288 20 5 EGBDRO CCCC[N@H+](CC(N)=O)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000509536387 312119707 /nfs/dbraw/zinc/11/97/07/312119707.db2.gz BHNHPNXYONDBBU-UHFFFAOYSA-N 1 0 347.440 3.411 20 5 EGBDRO C[C@@H]([NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccncc1F ZINC000511051954 312153828 /nfs/dbraw/zinc/15/38/28/312153828.db2.gz SWZZVDXZBRKQGI-NWDGAFQWSA-N 1 0 346.362 3.197 20 5 EGBDRO CC[C@H]1CCCCN1C(=O)[C@H](C)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000511140138 312155795 /nfs/dbraw/zinc/15/57/95/312155795.db2.gz SIAOOFZJMBNRDD-RDJZCZTQSA-N 1 0 347.459 3.249 20 5 EGBDRO CCc1ccc([C@H]2CCC[N@H+](CCn3ccc([N+](=O)[O-])n3)C2)cc1 ZINC000513400068 312209130 /nfs/dbraw/zinc/20/91/30/312209130.db2.gz AHRZERZDZZNXMQ-KRWDZBQOSA-N 1 0 328.416 3.233 20 5 EGBDRO CCN1CCC[C@H](N[C@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)C1 ZINC000515174045 312269285 /nfs/dbraw/zinc/26/92/85/312269285.db2.gz AZVFBRBHGREVHJ-GXTWGEPZSA-N 1 0 331.338 3.272 20 5 EGBDRO COc1ccc(C[C@](C)([NH3+])CNc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000532853064 313846533 /nfs/dbraw/zinc/84/65/33/313846533.db2.gz BETVQMCUEDNVAH-KRWDZBQOSA-N 1 0 333.363 3.115 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCN(c2ccccn2)C1 ZINC000536831419 314148466 /nfs/dbraw/zinc/14/84/66/314148466.db2.gz HPQZJKKTFXTWKF-LSDHHAIUSA-N 1 0 326.400 3.228 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000537641126 314199154 /nfs/dbraw/zinc/19/91/54/314199154.db2.gz OBGAVVSEBNZVKN-WFASDCNBSA-N 1 0 347.459 3.370 20 5 EGBDRO COc1cccc([C@H](C)[NH2+]CC(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 ZINC000538130030 314228356 /nfs/dbraw/zinc/22/83/56/314228356.db2.gz PZZXGQDFXWXKGS-ZDUSSCGKSA-N 1 0 343.383 3.201 20 5 EGBDRO COc1cccc([C@@H](C)[NH2+]CCOc2ccc(OC)cc2[N+](=O)[O-])c1 ZINC000538129665 314228400 /nfs/dbraw/zinc/22/84/00/314228400.db2.gz KSSDNYSBDLJWQT-CYBMUJFWSA-N 1 0 346.383 3.342 20 5 EGBDRO Cc1ccc(CN2CCO[C@@H](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000538494386 314249706 /nfs/dbraw/zinc/24/97/06/314249706.db2.gz REYACXJXWZMXBX-SFHVURJKSA-N 1 0 326.396 3.347 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)C(=O)NCc1ccccc1 ZINC000539628317 314324899 /nfs/dbraw/zinc/32/48/99/314324899.db2.gz JNPLURRLTWFMOF-GJZGRUSLSA-N 1 0 341.411 3.259 20 5 EGBDRO Cc1ccc(CCC[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1 ZINC000541283522 314446166 /nfs/dbraw/zinc/44/61/66/314446166.db2.gz WSKKICIJVZZHSS-UHFFFAOYSA-N 1 0 340.427 3.053 20 5 EGBDRO CCc1ccc([C@@H]([NH2+]CC2(C)COC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543403718 314626248 /nfs/dbraw/zinc/62/62/48/314626248.db2.gz KLMRSAKGMCMGCA-KRWDZBQOSA-N 1 0 330.384 3.466 20 5 EGBDRO C[C@@H](NC(=O)CC[N@H+](C)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000548715204 315038239 /nfs/dbraw/zinc/03/82/39/315038239.db2.gz GKSWEQKWWPTQRW-CQSZACIVSA-N 1 0 333.432 3.427 20 5 EGBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H](O)CCc1ccccc1 ZINC000548935475 315064234 /nfs/dbraw/zinc/06/42/34/315064234.db2.gz MVCSKGHJWZHJKU-IBGZPJMESA-N 1 0 328.412 3.063 20 5 EGBDRO C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000548933920 315064258 /nfs/dbraw/zinc/06/42/58/315064258.db2.gz LQJIFQHIFWSILF-RKVPGOIHSA-N 1 0 347.459 3.153 20 5 EGBDRO CCCC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CCC[C@@H](C)C1 ZINC000550379833 315126282 /nfs/dbraw/zinc/12/62/82/315126282.db2.gz FJYUIXNPSXFAAB-CVEARBPZSA-N 1 0 335.448 3.437 20 5 EGBDRO O=C(CC[NH2+]Cc1ccccc1Cl)Nc1ccccc1[N+](=O)[O-] ZINC000554527637 315328508 /nfs/dbraw/zinc/32/85/08/315328508.db2.gz CXDCRCUKCPPUGG-UHFFFAOYSA-N 1 0 333.775 3.367 20 5 EGBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2CC[C@@H]3CCCC[C@H]3C2)c1 ZINC000559238913 315622807 /nfs/dbraw/zinc/62/28/07/315622807.db2.gz LETXKEOPPFMMAD-LISAXSMJSA-N 1 0 348.443 3.283 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000562571020 315853048 /nfs/dbraw/zinc/85/30/48/315853048.db2.gz FPHUUISIXVZQCN-CYBMUJFWSA-N 1 0 334.420 3.153 20 5 EGBDRO O=[N+]([O-])c1ccc(CN(Cc2ccccc2)[C@@H]2CCC[NH2+]C2)cc1 ZINC000567865156 316685856 /nfs/dbraw/zinc/68/58/56/316685856.db2.gz IGZBWVOBRKIYQV-LJQANCHMSA-N 1 0 325.412 3.349 20 5 EGBDRO CSCC[C@@H](C)[N@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000126656135 454908672 /nfs/dbraw/zinc/90/86/72/454908672.db2.gz WPNWUPKWHQITAI-SNVBAGLBSA-N 1 0 345.852 3.260 20 5 EGBDRO Cc1cccc(CN(CC[NH+](C)C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000570248005 317027289 /nfs/dbraw/zinc/02/72/89/317027289.db2.gz HMFPWGWSXDNUFD-UHFFFAOYSA-N 1 0 327.428 3.467 20 5 EGBDRO C[C@H](C(=O)NCC1CCCCC1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000570465712 317059922 /nfs/dbraw/zinc/05/99/22/317059922.db2.gz LIFQMPHJFGOXME-OAHLLOKOSA-N 1 0 347.459 3.154 20 5 EGBDRO COC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000570738878 317100518 /nfs/dbraw/zinc/10/05/18/317100518.db2.gz GNMRXRRYXUEUPB-CRAIPNDOSA-N 1 0 326.396 3.429 20 5 EGBDRO CCOC(=O)[C@]1(C(C)C)CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000571030504 317141991 /nfs/dbraw/zinc/14/19/91/317141991.db2.gz PEFYJZCCJXESON-GOSISDBHSA-N 1 0 334.416 3.049 20 5 EGBDRO Cc1cc(N2CC[C@]3(CC[N@@H+](C)C3)C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000571891221 317262667 /nfs/dbraw/zinc/26/26/67/317262667.db2.gz QAIOTMMSGXOYJI-HNNXBMFYSA-N 1 0 343.349 3.454 20 5 EGBDRO COC(=O)c1cccc(C[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000572527143 317351920 /nfs/dbraw/zinc/35/19/20/317351920.db2.gz USIYVPWYYKLVCC-AWEZNQCLSA-N 1 0 342.395 3.492 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCOCC(F)(F)C(F)F ZINC000572588039 317360361 /nfs/dbraw/zinc/36/03/61/317360361.db2.gz NMBWHOWYMZUBBF-SNVBAGLBSA-N 1 0 338.301 3.471 20 5 EGBDRO C[C@@H](CC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)[C@@H]1CCC[NH2+]C1 ZINC000573327488 317469993 /nfs/dbraw/zinc/46/99/93/317469993.db2.gz MSXFXKWTALMVFK-GOEBONIOSA-N 1 0 345.443 3.112 20 5 EGBDRO CN(CC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000574598320 317615787 /nfs/dbraw/zinc/61/57/87/317615787.db2.gz RYODNPPTUZZQFN-DLBZAZTESA-N 1 0 343.431 3.001 20 5 EGBDRO COc1ccc(CC[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])cc1OC ZINC000574704377 317627690 /nfs/dbraw/zinc/62/76/90/317627690.db2.gz VLHHILBBOGCBRB-INIZCTEOSA-N 1 0 342.395 3.432 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)N(C)C2CCCCC2)cc1[N+](=O)[O-] ZINC000178280856 323354600 /nfs/dbraw/zinc/35/46/00/323354600.db2.gz NJFGKJJUHZRSNP-CQSZACIVSA-N 1 0 333.432 3.345 20 5 EGBDRO Cc1cccc(C(C)(C)[NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000179592012 323395071 /nfs/dbraw/zinc/39/50/71/323395071.db2.gz NHLVCZSEJNJUSI-UHFFFAOYSA-N 1 0 341.411 3.391 20 5 EGBDRO C[C@H]([NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])c1cnn(C)c1 ZINC000338225948 323927633 /nfs/dbraw/zinc/92/76/33/323927633.db2.gz KVMKILSHRFDREX-GRDNDAEWSA-N 1 0 328.416 3.390 20 5 EGBDRO CC(C)(C)OC(=O)NC[C@@H]1CC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000382458285 324250880 /nfs/dbraw/zinc/25/08/80/324250880.db2.gz SFWKXOFLGHQIAF-CABCVRRESA-N 1 0 349.431 3.378 20 5 EGBDRO C[C@H]([NH2+]C1CCC(O)(C(F)(F)F)CC1)c1cccc([N+](=O)[O-])c1 ZINC000396345136 324293946 /nfs/dbraw/zinc/29/39/46/324293946.db2.gz CSSPFPSQPOTDBD-JKDOVBDQSA-N 1 0 332.322 3.481 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3CC[C@@H](CCCO)C3)cs2)c1 ZINC000449792175 324343091 /nfs/dbraw/zinc/34/30/91/324343091.db2.gz RZGIURVZMCTZKQ-CYBMUJFWSA-N 1 0 347.440 3.313 20 5 EGBDRO Cc1ccccc1C[C@@H](CO)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000576172622 324561538 /nfs/dbraw/zinc/56/15/38/324561538.db2.gz RSEBIWNNVOHJFU-MAUKXSAKSA-N 1 0 326.396 3.084 20 5 EGBDRO CCC[C@H](C)[C@H](CO)[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000578775575 325017176 /nfs/dbraw/zinc/01/71/76/325017176.db2.gz CCHFUGNWPVUYJG-BBRMVZONSA-N 1 0 347.415 3.179 20 5 EGBDRO CCC[C@@H](C)[C@H](CO)[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000578775576 325017306 /nfs/dbraw/zinc/01/73/06/325017306.db2.gz CCHFUGNWPVUYJG-CJNGLKHVSA-N 1 0 347.415 3.179 20 5 EGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@H](CO)Cc1ccccc1 ZINC000579859589 325169310 /nfs/dbraw/zinc/16/93/10/325169310.db2.gz YHEBQLCQXLEQTE-CRAIPNDOSA-N 1 0 326.396 3.023 20 5 EGBDRO C[C@](CO)(C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])Cc1ccccc1 ZINC000581143357 325334833 /nfs/dbraw/zinc/33/48/33/325334833.db2.gz UMAFQHOUQUAIPN-UYAOXDASSA-N 1 0 340.423 3.413 20 5 EGBDRO COc1ccc(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c(F)c1 ZINC000581290192 325348944 /nfs/dbraw/zinc/34/89/44/325348944.db2.gz KMIOEBAMLZUJDL-HOTGVXAUSA-N 1 0 348.378 3.213 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@]2(O)CCC[C@H](C(F)(F)F)C2)cc1 ZINC000189617913 455223562 /nfs/dbraw/zinc/22/35/62/455223562.db2.gz WADHRADEPLHEQY-JSGCOSHPSA-N 1 0 332.322 3.168 20 5 EGBDRO [NH3+]C[C@@H]1CN(C/C=C\c2ccccc2[N+](=O)[O-])CC[C@H]1C(F)(F)F ZINC000600778210 460599481 /nfs/dbraw/zinc/59/94/81/460599481.db2.gz WSZULTBBCXOUBI-BDSSXFGHSA-N 1 0 343.349 3.067 20 5 EGBDRO [NH3+]C[C@@H]1CN(C/C=C/c2ccccc2[N+](=O)[O-])CC[C@@H]1C(F)(F)F ZINC000600778214 460600123 /nfs/dbraw/zinc/60/01/23/460600123.db2.gz WSZULTBBCXOUBI-JRFBKZHLSA-N 1 0 343.349 3.067 20 5 EGBDRO C[C@@H]1C[NH+](CCCNc2ccc([N+](=O)[O-])c3cnccc23)C[C@@H](C)O1 ZINC000015554537 453577025 /nfs/dbraw/zinc/57/70/25/453577025.db2.gz PSCGLOSEHPFZCJ-ZIAGYGMSSA-N 1 0 344.415 3.054 20 5 EGBDRO O=C(Nc1cccc(C[NH+]2CCCCC2)c1)c1ccc([N+](=O)[O-])o1 ZINC000027143750 453812084 /nfs/dbraw/zinc/81/20/84/453812084.db2.gz IZPCZAQFGPHCSR-UHFFFAOYSA-N 1 0 329.356 3.426 20 5 EGBDRO O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000029177275 453827019 /nfs/dbraw/zinc/82/70/19/453827019.db2.gz FTMMDPPGRTZJHY-SFHVURJKSA-N 1 0 339.395 3.162 20 5 EGBDRO C[C@H](C1CC1)[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CC1 ZINC000029726288 453831135 /nfs/dbraw/zinc/83/11/35/453831135.db2.gz AQMBHVBIGMFXKI-LLVKDONJSA-N 1 0 328.372 3.408 20 5 EGBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CCc1ccccc1 ZINC000053048279 453854117 /nfs/dbraw/zinc/85/41/17/453854117.db2.gz SCBPFWYTKBBNEF-UHFFFAOYSA-N 1 0 327.384 3.098 20 5 EGBDRO Cc1ncc(C[N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)s1 ZINC000053145773 453860903 /nfs/dbraw/zinc/86/09/03/453860903.db2.gz BEHQUISMTHQEIL-UHFFFAOYSA-N 1 0 348.428 3.129 20 5 EGBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCCC[C@H]1C ZINC000032731892 453886309 /nfs/dbraw/zinc/88/63/09/453886309.db2.gz ZCQVFNAHCCVXAG-NEPJUHHUSA-N 1 0 339.823 3.241 20 5 EGBDRO C[C@H](CNC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)[NH+](C)C ZINC000033094017 453905142 /nfs/dbraw/zinc/90/51/42/453905142.db2.gz KNRMHOAUNRLACQ-CYBMUJFWSA-N 1 0 342.399 3.018 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)cc1 ZINC000054370284 453926145 /nfs/dbraw/zinc/92/61/45/453926145.db2.gz VUNOVFNWOVHQRS-UHFFFAOYSA-N 1 0 329.375 3.446 20 5 EGBDRO O=[N+]([O-])c1ccccc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000054370282 453926356 /nfs/dbraw/zinc/92/63/56/453926356.db2.gz VUAVBVLNCXOFQZ-UHFFFAOYSA-N 1 0 329.375 3.446 20 5 EGBDRO O=[N+]([O-])c1cc(Br)ccc1NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000037649781 453938388 /nfs/dbraw/zinc/93/83/88/453938388.db2.gz GLIWQLVWJSDYLI-JTQLQIEISA-N 1 0 340.221 3.254 20 5 EGBDRO CC[N@H+](C)Cc1cccc(CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000067679508 453956268 /nfs/dbraw/zinc/95/62/68/453956268.db2.gz IZTVDLCZILTBPE-UHFFFAOYSA-N 1 0 341.411 3.285 20 5 EGBDRO COC(=O)c1ccc(F)c(CN(C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000181869362 455391474 /nfs/dbraw/zinc/39/14/74/455391474.db2.gz LVENREURXBIOJE-UHFFFAOYSA-N 1 0 332.331 3.153 20 5 EGBDRO Cc1cccc(C(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000041402624 453965195 /nfs/dbraw/zinc/96/51/95/453965195.db2.gz JTZFVAXGSUEVQI-KRWDZBQOSA-N 1 0 347.459 3.390 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@H](C)[C@H]1C ZINC000041863565 453981819 /nfs/dbraw/zinc/98/18/19/453981819.db2.gz GUVQNGYYTSZDKN-SFDCQRBFSA-N 1 0 349.431 3.345 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCC[N@H+](Cc3ccccc3)CC2)c(F)c1 ZINC000042097127 453993630 /nfs/dbraw/zinc/99/36/30/453993630.db2.gz ILQDLQDGCHWEIH-UHFFFAOYSA-N 1 0 329.375 3.446 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000043149856 454045101 /nfs/dbraw/zinc/04/51/01/454045101.db2.gz LEYURGGVSVXTPF-UHFFFAOYSA-N 1 0 334.420 3.334 20 5 EGBDRO O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)c1cc([N+](=O)[O-])c[nH]1 ZINC000056356180 454054301 /nfs/dbraw/zinc/05/43/01/454054301.db2.gz YVLVCLNTXDIHJR-UHFFFAOYSA-N 1 0 342.399 3.204 20 5 EGBDRO C[C@H](NC(=O)NCC1([NH+](C)C)CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000056383286 454055228 /nfs/dbraw/zinc/05/52/28/454055228.db2.gz GTFPNPHBCAOTRD-AWEZNQCLSA-N 1 0 348.447 3.220 20 5 EGBDRO Cc1c(NC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000043347022 454058024 /nfs/dbraw/zinc/05/80/24/454058024.db2.gz POEZMJPXDNBBBK-HNNXBMFYSA-N 1 0 348.428 3.389 20 5 EGBDRO C[NH+](C)[C@@H](CNC(=O)CCc1cccc([N+](=O)[O-])c1)c1ccsc1 ZINC000087081026 454061296 /nfs/dbraw/zinc/06/12/96/454061296.db2.gz LFWNQZRMELEVJT-INIZCTEOSA-N 1 0 347.440 3.008 20 5 EGBDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000087120714 454064156 /nfs/dbraw/zinc/06/41/56/454064156.db2.gz GYVYPNTVPZQCRP-MRXNPFEDSA-N 1 0 347.459 3.298 20 5 EGBDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000056715516 454075622 /nfs/dbraw/zinc/07/56/22/454075622.db2.gz OYFYTBDNABESGB-ZDUSSCGKSA-N 1 0 337.395 3.118 20 5 EGBDRO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000265876512 455397536 /nfs/dbraw/zinc/39/75/36/455397536.db2.gz XBVLALNUBHKQJD-CZUORRHYSA-N 1 0 349.431 3.330 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CC[C@@H]4OCCC[C@H]4C3)co2)cc1 ZINC000245922176 455399558 /nfs/dbraw/zinc/39/95/58/455399558.db2.gz SVOHCVGRGYIEJD-YOEHRIQHSA-N 1 0 343.383 3.251 20 5 EGBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Cl)C[NH+]1CCCCC1 ZINC000077511021 454116220 /nfs/dbraw/zinc/11/62/20/454116220.db2.gz OBFUVAMJGKFCGI-GFCCVEGCSA-N 1 0 339.823 3.100 20 5 EGBDRO C[C@H](NC(=O)NCCC[NH2+]C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000057466724 454130528 /nfs/dbraw/zinc/13/05/28/454130528.db2.gz SWJLLCMRSBQCMH-AWEZNQCLSA-N 1 0 348.447 3.267 20 5 EGBDRO C[NH+](C)[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC000045312066 454151988 /nfs/dbraw/zinc/15/19/88/454151988.db2.gz IENTVNMFEGTVQS-CQSZACIVSA-N 1 0 334.401 3.081 20 5 EGBDRO O=[N+]([O-])c1ccc(NCC2CC[NH+](Cc3cccs3)CC2)nc1 ZINC000057854703 454152821 /nfs/dbraw/zinc/15/28/21/454152821.db2.gz LWGUDTHJCYKBOV-UHFFFAOYSA-N 1 0 332.429 3.375 20 5 EGBDRO Cc1cc(C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000058191476 454170012 /nfs/dbraw/zinc/17/00/12/454170012.db2.gz QJPHEAQYOYIMFS-QGZVFWFLSA-N 1 0 333.432 3.144 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N(C)C1CC[NH+](C(C)C)CC1 ZINC000093913029 454180105 /nfs/dbraw/zinc/18/01/05/454180105.db2.gz IKNXCEFLTKGJGN-UHFFFAOYSA-N 1 0 347.459 3.465 20 5 EGBDRO CCc1nn(C)c(NC2CC[NH+](CC3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000094151218 454190268 /nfs/dbraw/zinc/19/02/68/454190268.db2.gz SOUVPZFOIOVFQP-UHFFFAOYSA-N 1 0 349.479 3.347 20 5 EGBDRO CC[N@@H+]1CC[C@H](N(C)Cc2c(Cl)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC000119454243 454196536 /nfs/dbraw/zinc/19/65/36/454196536.db2.gz HFONLAHLKLWDRZ-DOMZBBRYSA-N 1 0 325.840 3.410 20 5 EGBDRO COc1cc(OC)cc(OCC[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000130926372 454226888 /nfs/dbraw/zinc/22/68/88/454226888.db2.gz NYVJCSBBQPGMLC-CYBMUJFWSA-N 1 0 346.383 3.342 20 5 EGBDRO Cc1cccc(OCC[N@@H+](C)CCOc2ccccc2[N+](=O)[O-])c1 ZINC000059384354 454258173 /nfs/dbraw/zinc/25/81/73/454258173.db2.gz IOECYXJCCXBMSF-UHFFFAOYSA-N 1 0 330.384 3.293 20 5 EGBDRO O=[N+]([O-])c1cccc2ncnc(NC3CC[NH+](C4CCCC4)CC3)c21 ZINC000612446911 460630672 /nfs/dbraw/zinc/63/06/72/460630672.db2.gz GWTMIWDVPNAZOC-UHFFFAOYSA-N 1 0 341.415 3.357 20 5 EGBDRO Cc1ccc(C(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000059982528 454266317 /nfs/dbraw/zinc/26/63/17/454266317.db2.gz ZBZOSGSGIOEVSI-ZIAGYGMSSA-N 1 0 347.459 3.390 20 5 EGBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000078506277 454266900 /nfs/dbraw/zinc/26/69/00/454266900.db2.gz UICZRGKOWLNFFA-INIZCTEOSA-N 1 0 326.400 3.009 20 5 EGBDRO COc1ccc([C@@H](CNc2ccc([N+](=O)[O-])nc2)[NH+]2CCCC2)cc1 ZINC000072521922 454303491 /nfs/dbraw/zinc/30/34/91/454303491.db2.gz DYYPNGHHEGPLLP-QGZVFWFLSA-N 1 0 342.399 3.247 20 5 EGBDRO Cc1ccc(C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C2CC2)cc1C ZINC000090550315 454319851 /nfs/dbraw/zinc/31/98/51/454319851.db2.gz NDWMTDONVYVZFK-UHFFFAOYSA-N 1 0 341.411 3.038 20 5 EGBDRO CC(C)(C)[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccc(F)cc1 ZINC000090553272 454321170 /nfs/dbraw/zinc/32/11/70/454321170.db2.gz OPQIJWUISHVDLB-KRWDZBQOSA-N 1 0 347.390 3.273 20 5 EGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(CN2CCCCC2=O)CC1 ZINC000072663791 454324290 /nfs/dbraw/zinc/32/42/90/454324290.db2.gz BZYYTYIIFGGWLW-HNNXBMFYSA-N 1 0 345.443 3.380 20 5 EGBDRO CCOc1ccc(NC(=O)C[N@@H+]2C[C@@H](C)C[C@H]2CC)c([N+](=O)[O-])c1 ZINC000072697924 454329727 /nfs/dbraw/zinc/32/97/27/454329727.db2.gz MCVCBTDHZWUNHQ-QWHCGFSZSA-N 1 0 335.404 3.052 20 5 EGBDRO Cc1cc(C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000047187791 454337401 /nfs/dbraw/zinc/33/74/01/454337401.db2.gz FRSKKLGQBPYRHG-AWEZNQCLSA-N 1 0 333.432 3.145 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H]1CCC(C)(C)C[C@H]1C ZINC000120802771 454348226 /nfs/dbraw/zinc/34/82/26/454348226.db2.gz LDWKBQMWFAECSY-OCCSQVGLSA-N 1 0 349.431 3.346 20 5 EGBDRO CO[C@@H](C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C(C)C ZINC000072924822 454363503 /nfs/dbraw/zinc/36/35/03/454363503.db2.gz LZLGSVGEDPHQDL-HNNXBMFYSA-N 1 0 335.429 3.479 20 5 EGBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CC2(CCO)CCCC2)c1 ZINC000072925949 454363545 /nfs/dbraw/zinc/36/35/45/454363545.db2.gz YFVNZTBFZLTSIN-UHFFFAOYSA-N 1 0 344.358 3.229 20 5 EGBDRO O=C(NC1CC[NH+](CC2CCCC2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000063272028 454400969 /nfs/dbraw/zinc/40/09/69/454400969.db2.gz QEFIIQBQXHRAPC-UHFFFAOYSA-N 1 0 349.406 3.118 20 5 EGBDRO COCC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C1CCCC1 ZINC000063496311 454419488 /nfs/dbraw/zinc/41/94/88/454419488.db2.gz GHIASGWQUHOADP-UHFFFAOYSA-N 1 0 349.431 3.123 20 5 EGBDRO CS[C@H]1CCCC[N@@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000134584701 454564380 /nfs/dbraw/zinc/56/43/80/454564380.db2.gz ADOYQPXRIRDMHY-OLZOCXBDSA-N 1 0 337.445 3.139 20 5 EGBDRO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H]2CO)ccc1Oc1ccc(F)cc1 ZINC000092470968 454571764 /nfs/dbraw/zinc/57/17/64/454571764.db2.gz FITSUSCMPCCZAY-OAHLLOKOSA-N 1 0 346.358 3.483 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CC[C@@H](C[NH+]3CCCCC3)C2)c2ncccc12 ZINC000092657739 454602780 /nfs/dbraw/zinc/60/27/80/454602780.db2.gz QSHZXDBGEJYFEO-HNNXBMFYSA-N 1 0 340.427 3.455 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCCN(Cc2ccccc2)C1 ZINC000065668048 454609805 /nfs/dbraw/zinc/60/98/05/454609805.db2.gz UAGWYJMRTYMSIM-SFHVURJKSA-N 1 0 325.412 3.349 20 5 EGBDRO COc1ccc(-c2ccc(C[NH2+]C[C@@H](C)C[C@H](C)O)o2)c([N+](=O)[O-])c1 ZINC000123459814 454640339 /nfs/dbraw/zinc/64/03/39/454640339.db2.gz YVHULZMMHLDCJX-STQMWFEESA-N 1 0 348.399 3.360 20 5 EGBDRO Cc1c(NC(=O)CC[N@@H+]2CCn3cccc3[C@H]2C)cccc1[N+](=O)[O-] ZINC000105593943 454645248 /nfs/dbraw/zinc/64/52/48/454645248.db2.gz IYPTYTVHGBLUOC-CQSZACIVSA-N 1 0 342.399 3.110 20 5 EGBDRO CCCC[N@H+](C)CC1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000123576238 454653992 /nfs/dbraw/zinc/65/39/92/454653992.db2.gz AVEMRJTYZRNUDA-UHFFFAOYSA-N 1 0 333.432 3.179 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](C/C=C/c3ccc(F)cc3)C2)nc1 ZINC000093534572 454720603 /nfs/dbraw/zinc/72/06/03/454720603.db2.gz XHFNPAYLMNTLMY-PYKQWIPUSA-N 1 0 342.374 3.329 20 5 EGBDRO C[N@H+](Cc1ccc(Br)cc1[N+](=O)[O-])CC1(O)CCCC1 ZINC000162219895 454760155 /nfs/dbraw/zinc/76/01/55/454760155.db2.gz ICKMWCNMOKAXTD-UHFFFAOYSA-N 1 0 343.221 3.094 20 5 EGBDRO CCOc1ccc([C@@H](C)N[C@@H]2CC[N@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000153694675 454822111 /nfs/dbraw/zinc/82/21/11/454822111.db2.gz DRBFSAHVESXNRR-CZUORRHYSA-N 1 0 333.432 3.128 20 5 EGBDRO CC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000163268975 454835801 /nfs/dbraw/zinc/83/58/01/454835801.db2.gz DTBLGGKEVADNDL-CJNGLKHVSA-N 1 0 331.416 3.042 20 5 EGBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000111420887 454863600 /nfs/dbraw/zinc/86/36/00/454863600.db2.gz FFSUBIMUPLDZKR-GFCCVEGCSA-N 1 0 340.811 3.244 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000177611647 454883548 /nfs/dbraw/zinc/88/35/48/454883548.db2.gz LNUGIGHRMGPLOS-CQSZACIVSA-N 1 0 331.416 3.496 20 5 EGBDRO CC(C)(C)C(=O)NC[C@@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000112699753 454897431 /nfs/dbraw/zinc/89/74/31/454897431.db2.gz YBYKSZFLFNZQMQ-INIZCTEOSA-N 1 0 347.459 3.012 20 5 EGBDRO C[C@@H]([NH2+][C@@H]1CCN(c2ncccc2F)C1)c1cccc([N+](=O)[O-])c1 ZINC000168111401 454925189 /nfs/dbraw/zinc/92/51/89/454925189.db2.gz KDMLMJUCCRBEKC-TZMCWYRMSA-N 1 0 330.363 3.058 20 5 EGBDRO COc1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)cc1[N+](=O)[O-] ZINC000168964175 454928671 /nfs/dbraw/zinc/92/86/71/454928671.db2.gz DCZGCSMRZLVQPY-XYPHTWIQSA-N 1 0 332.400 3.041 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000182330431 455489899 /nfs/dbraw/zinc/48/98/99/455489899.db2.gz CRJARYUYVYYSLI-CQSZACIVSA-N 1 0 339.395 3.143 20 5 EGBDRO CCC[C@H]([NH2+]CC1CCN(C(C)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000151064715 454932004 /nfs/dbraw/zinc/93/20/04/454932004.db2.gz PYSBHXXMQZCPDN-SFHVURJKSA-N 1 0 333.432 3.284 20 5 EGBDRO COc1ccc([C@H](C)NCc2cc([N+](=O)[O-])ccc2OC)c(OC)c1 ZINC000178730210 454969755 /nfs/dbraw/zinc/96/97/55/454969755.db2.gz CCKBCICXHCNQOD-LBPRGKRZSA-N 1 0 346.383 3.471 20 5 EGBDRO C[NH+](C)[C@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1ccccc1 ZINC000128058050 455021813 /nfs/dbraw/zinc/02/18/13/455021813.db2.gz FYYLNJREMUDLHW-MRXNPFEDSA-N 1 0 347.802 3.281 20 5 EGBDRO CC[C@@H](C)[N@H+](C)Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000179933759 455101898 /nfs/dbraw/zinc/10/18/98/455101898.db2.gz PALZUBZDWHUKII-SNVBAGLBSA-N 1 0 332.347 3.478 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1[C@H](C)C[C@@H]2CCCC[C@@H]21 ZINC000118850505 455114831 /nfs/dbraw/zinc/11/48/31/455114831.db2.gz ZUTWOJZLNAXEMK-WWGRRREGSA-N 1 0 347.415 3.195 20 5 EGBDRO CCN(CC)C(=O)C1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000118847357 455115291 /nfs/dbraw/zinc/11/52/91/455115291.db2.gz FWWHUWJSRGSYIM-UHFFFAOYSA-N 1 0 333.432 3.256 20 5 EGBDRO C[C@H]([NH2+]CCC(=O)Nc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000180410476 455165066 /nfs/dbraw/zinc/16/50/66/455165066.db2.gz UGUIZHQKJGDHKX-LBPRGKRZSA-N 1 0 331.347 3.413 20 5 EGBDRO Cc1ccc(C)c(OC[C@H](O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000180414310 455165583 /nfs/dbraw/zinc/16/55/83/455165583.db2.gz FPTASTZIBVFGET-CRAIPNDOSA-N 1 0 344.411 3.302 20 5 EGBDRO COc1ccc(-c2ccc(CN[C@@H](C)CC[NH+](C)C)o2)c([N+](=O)[O-])c1 ZINC000237288566 455168522 /nfs/dbraw/zinc/16/85/22/455168522.db2.gz OUAVZAMQYAAGAX-ZDUSSCGKSA-N 1 0 347.415 3.293 20 5 EGBDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000237475969 455187611 /nfs/dbraw/zinc/18/76/11/455187611.db2.gz GBUZRTXHAWHJJC-GXTWGEPZSA-N 1 0 333.432 3.092 20 5 EGBDRO O=[N+]([O-])c1cccc(C[NH2+]CCc2cc(Cl)c3c(c2)OCCO3)c1 ZINC000237692741 455208083 /nfs/dbraw/zinc/20/80/83/455208083.db2.gz VMBMMKVTYAYPFB-UHFFFAOYSA-N 1 0 348.786 3.352 20 5 EGBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000245498772 455314866 /nfs/dbraw/zinc/31/48/66/455314866.db2.gz WWMWXDGZUBYOJN-IINYFYTJSA-N 1 0 340.811 3.052 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)NCC2CCCCC2)cc1[N+](=O)[O-] ZINC000181816728 455385836 /nfs/dbraw/zinc/38/58/36/455385836.db2.gz KZSLOAFNIVPYNO-CQSZACIVSA-N 1 0 333.432 3.250 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](C[NH+](CC)CC)C1 ZINC000175280820 455433756 /nfs/dbraw/zinc/43/37/56/455433756.db2.gz GRYXSATVYNCKEF-HNNXBMFYSA-N 1 0 335.448 3.157 20 5 EGBDRO Cc1cc(N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)ncc1[N+](=O)[O-] ZINC000266856846 455462844 /nfs/dbraw/zinc/46/28/44/455462844.db2.gz UMLVWXNKUJXIFI-HZPDHXFCSA-N 1 0 332.448 3.389 20 5 EGBDRO CC[N@H+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000267172508 455511080 /nfs/dbraw/zinc/51/10/80/455511080.db2.gz ACRWKSOUGJMMBA-LLVKDONJSA-N 1 0 331.338 3.392 20 5 EGBDRO COC(=O)c1ccccc1OCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000182428398 455512118 /nfs/dbraw/zinc/51/21/18/455512118.db2.gz JTWBUKRRBAIIMF-CYBMUJFWSA-N 1 0 344.367 3.111 20 5 EGBDRO CC(C)NC(=O)c1ccc(N[C@@H]2CCC[C@H]([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000267277635 455529567 /nfs/dbraw/zinc/52/95/67/455529567.db2.gz ODOKGTHRCUGCEQ-CABCVRRESA-N 1 0 348.447 3.018 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)C1CCCCC1 ZINC000182691141 455569558 /nfs/dbraw/zinc/56/95/58/455569558.db2.gz YTSQNSLYVQDPRM-GFCCVEGCSA-N 1 0 335.404 3.100 20 5 EGBDRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000182698255 455571095 /nfs/dbraw/zinc/57/10/95/455571095.db2.gz AKZNMBZYJRRLDP-QWHCGFSZSA-N 1 0 349.431 3.489 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C)C1CCCCC1 ZINC000182707577 455572892 /nfs/dbraw/zinc/57/28/92/455572892.db2.gz PHAFXLVKFFVLHL-CYBMUJFWSA-N 1 0 349.431 3.490 20 5 EGBDRO O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)c1ccc([N+](=O)[O-])s1 ZINC000247323750 455588376 /nfs/dbraw/zinc/58/83/76/455588376.db2.gz MQWZXVQPYFWLIP-CQSZACIVSA-N 1 0 345.424 3.223 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCC[C@@H]4CCC[C@H]43)o2)cc1 ZINC000247565100 455626072 /nfs/dbraw/zinc/62/60/72/455626072.db2.gz RDZCVJUSFGMMIR-SWLSCSKDSA-N 1 0 328.372 3.409 20 5 EGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@](C)(O)c1ccsc1 ZINC000269005399 455760069 /nfs/dbraw/zinc/76/00/69/455760069.db2.gz QLPCQIFZLKTPMP-GUYCJALGSA-N 1 0 334.441 3.475 20 5 EGBDRO C[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1ccc([S@](C)=O)cc1 ZINC000271796128 455763209 /nfs/dbraw/zinc/76/32/09/455763209.db2.gz KBGRGPAFSQNYFX-OZAJXLCCSA-N 1 0 348.424 3.062 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000249774071 455775401 /nfs/dbraw/zinc/77/54/01/455775401.db2.gz MGLITSRLVFSGSK-TZMCWYRMSA-N 1 0 334.420 3.145 20 5 EGBDRO Cc1ccccc1NC(=O)CN(C)CCc1ccccc1[N+](=O)[O-] ZINC000285396988 455836343 /nfs/dbraw/zinc/83/63/43/455836343.db2.gz SYIMAZYLJKBSIO-UHFFFAOYSA-N 1 0 327.384 3.016 20 5 EGBDRO Cc1noc([C@@H]2CCC[N@H+](C/C=C\c3ccccc3[N+](=O)[O-])C2)n1 ZINC000255378435 455866211 /nfs/dbraw/zinc/86/62/11/455866211.db2.gz FCNOMNCONLJIFK-IJVDHGTGSA-N 1 0 328.372 3.179 20 5 EGBDRO Cc1cc(C(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000187251367 455888339 /nfs/dbraw/zinc/88/83/39/455888339.db2.gz GPBSARQUYKPDHM-RDTXWAMCSA-N 1 0 341.411 3.324 20 5 EGBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000272241080 455889233 /nfs/dbraw/zinc/88/92/33/455889233.db2.gz XLJHCJUYLGBRPW-GFCCVEGCSA-N 1 0 345.399 3.143 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000194934810 455902615 /nfs/dbraw/zinc/90/26/15/455902615.db2.gz HXQVXMBGHWSNMX-OAHLLOKOSA-N 1 0 333.432 3.001 20 5 EGBDRO CCCC[NH+]1CCC(NC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000194959122 455905629 /nfs/dbraw/zinc/90/56/29/455905629.db2.gz OCOFUVMVFLKINY-CQSZACIVSA-N 1 0 348.447 3.220 20 5 EGBDRO CC(C)c1nnc([C@@H]2CN([C@H](C)c3cccc([N+](=O)[O-])c3)CCO2)o1 ZINC000280232314 455922630 /nfs/dbraw/zinc/92/26/30/455922630.db2.gz WDVUMSZNRXSEMC-DOMZBBRYSA-N 1 0 346.387 3.236 20 5 EGBDRO COc1cc(C[N@@H+]2CCC[C@@](C)(OC)CC2)c([N+](=O)[O-])cc1OC ZINC000280257900 455929172 /nfs/dbraw/zinc/92/91/72/455929172.db2.gz LPELHJFEMLVBJN-QGZVFWFLSA-N 1 0 338.404 3.003 20 5 EGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC000296435343 455938192 /nfs/dbraw/zinc/93/81/92/455938192.db2.gz MAPKCCUWVJOFFH-GFCCVEGCSA-N 1 0 347.444 3.251 20 5 EGBDRO C[N@@H+]1CC[C@H](CSc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000187692007 455939353 /nfs/dbraw/zinc/93/93/53/455939353.db2.gz HCAVSOWBKWMLKX-VIFPVBQESA-N 1 0 331.235 3.401 20 5 EGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1nnc(C(C)C)[nH]1 ZINC000296553097 455970957 /nfs/dbraw/zinc/97/09/57/455970957.db2.gz RRNOENCLIALCNF-GFCCVEGCSA-N 1 0 349.460 3.497 20 5 EGBDRO CCS[C@@H]1CCC[C@H]1[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000286078375 455973659 /nfs/dbraw/zinc/97/36/59/455973659.db2.gz JYNPFPOQUHAIDR-ZIAGYGMSSA-N 1 0 348.428 3.409 20 5 EGBDRO CC[C@H]1CCC[C@H]1[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000286148657 455988555 /nfs/dbraw/zinc/98/85/55/455988555.db2.gz NLAZQSYYXLFFHB-GXTWGEPZSA-N 1 0 335.404 3.100 20 5 EGBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1ccc([N+](=O)[O-])c2cccnc21 ZINC000286186419 455996180 /nfs/dbraw/zinc/99/61/80/455996180.db2.gz AUTWHCFYXVNXAS-KGLIPLIRSA-N 1 0 326.400 3.206 20 5 EGBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1c1ccc2ncccc2c1[N+](=O)[O-] ZINC000286221286 456003226 /nfs/dbraw/zinc/00/32/26/456003226.db2.gz DAMRSQZNRCSHMQ-KBPBESRZSA-N 1 0 326.400 3.206 20 5 EGBDRO COC[C@]1(C)CC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000296658755 456003870 /nfs/dbraw/zinc/00/38/70/456003870.db2.gz JRPZQYMCDFJCLQ-QGZVFWFLSA-N 1 0 331.372 3.108 20 5 EGBDRO CO[C@@]1(C)CCC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000280639498 456019982 /nfs/dbraw/zinc/01/99/82/456019982.db2.gz YDWGPZAVYOUHJN-KRWDZBQOSA-N 1 0 346.387 3.036 20 5 EGBDRO C[NH+](C)[C@@H](CNC(=O)/C=C\c1ccccc1[N+](=O)[O-])c1ccsc1 ZINC000213353513 456024377 /nfs/dbraw/zinc/02/43/77/456024377.db2.gz XLOFFXPKTPKVPL-PTZVLDCSSA-N 1 0 345.424 3.089 20 5 EGBDRO CCC(=O)c1ccc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c([N+](=O)[O-])c1 ZINC000280683282 456029552 /nfs/dbraw/zinc/02/95/52/456029552.db2.gz IRHSYZLADNPHIN-LSDHHAIUSA-N 1 0 331.416 3.108 20 5 EGBDRO COC[C@@H](C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)OC ZINC000272684735 456038821 /nfs/dbraw/zinc/03/88/21/456038821.db2.gz NYDYRAQBJXBPME-CQSZACIVSA-N 1 0 336.413 3.074 20 5 EGBDRO COc1ccccc1[C@@H]1CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000221949122 456044948 /nfs/dbraw/zinc/04/49/48/456044948.db2.gz RGARDTOEAQGRNH-CRAIPNDOSA-N 1 0 342.395 3.126 20 5 EGBDRO Cc1cc(NCCNC(=O)C(C)(C)C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272880095 456098131 /nfs/dbraw/zinc/09/81/31/456098131.db2.gz VJQGVZKBRIRXLJ-UHFFFAOYSA-N 1 0 330.388 3.026 20 5 EGBDRO Cc1cc(N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000301424047 456112279 /nfs/dbraw/zinc/11/22/79/456112279.db2.gz GJHANTVZLCAGAZ-QGZVFWFLSA-N 1 0 340.427 3.399 20 5 EGBDRO C[C@@H]1CCC[N@H+](CCNc2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000301557605 456145772 /nfs/dbraw/zinc/14/57/72/456145772.db2.gz XCMMXFOIKIVVQY-LLVKDONJSA-N 1 0 329.347 3.340 20 5 EGBDRO Cc1cc(NCC[N@@H+](C)C(C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301562192 456147531 /nfs/dbraw/zinc/14/75/31/456147531.db2.gz OYZWRCTVPUDSBL-UHFFFAOYSA-N 1 0 329.404 3.112 20 5 EGBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1ccc([N+](=O)[O-])cn1 ZINC000301604569 456159755 /nfs/dbraw/zinc/15/97/55/456159755.db2.gz XSJMYYKYZXACBW-WMLDXEAASA-N 1 0 326.400 3.312 20 5 EGBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CN(C3CC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000271203327 456171562 /nfs/dbraw/zinc/17/15/62/456171562.db2.gz ZSHAHOBOKOVLOT-XEZPLFJOSA-N 1 0 333.432 3.127 20 5 EGBDRO Cc1nc(N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000301671130 456180311 /nfs/dbraw/zinc/18/03/11/456180311.db2.gz QJHVACZSUVCBDM-AWEZNQCLSA-N 1 0 326.400 3.009 20 5 EGBDRO CC(C)C[N@@H+]1CCC[C@H](CNc2nc3sccn3c2[N+](=O)[O-])C1 ZINC000301769500 456208885 /nfs/dbraw/zinc/20/88/85/456208885.db2.gz INWGDBLIDYSQBZ-GFCCVEGCSA-N 1 0 337.449 3.084 20 5 EGBDRO CC(C)C[N@@H+]1CCC[C@@H](CNc2nc3sccn3c2[N+](=O)[O-])C1 ZINC000301769502 456209161 /nfs/dbraw/zinc/20/91/61/456209161.db2.gz INWGDBLIDYSQBZ-LBPRGKRZSA-N 1 0 337.449 3.084 20 5 EGBDRO O=[N+]([O-])c1cc(F)c(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(F)c1 ZINC000301782710 456213993 /nfs/dbraw/zinc/21/39/93/456213993.db2.gz JZDJAEAJGMDOOL-MEDUHNTESA-N 1 0 337.370 3.326 20 5 EGBDRO CSCCC[N@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000281578183 456269549 /nfs/dbraw/zinc/26/95/49/456269549.db2.gz ZPTQDZRVUFDKBS-UHFFFAOYSA-N 1 0 335.429 3.477 20 5 EGBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000336790703 456309072 /nfs/dbraw/zinc/30/90/72/456309072.db2.gz LUYKATLLKTZWPJ-XJKSGUPXSA-N 1 0 343.431 3.195 20 5 EGBDRO Cc1ccnc(N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000302186696 456311290 /nfs/dbraw/zinc/31/12/90/456311290.db2.gz VQGAHBHYHZDZIQ-GDBMZVCRSA-N 1 0 326.400 3.231 20 5 EGBDRO CN(CCC[NH+]1CCCC1)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000281773918 456317068 /nfs/dbraw/zinc/31/70/68/456317068.db2.gz RDEKLGZUSXQWTK-UHFFFAOYSA-N 1 0 347.440 3.367 20 5 EGBDRO O=C(CC[N@@H+]1CCS[C@@H]2CCCC[C@@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000281861689 456342269 /nfs/dbraw/zinc/34/22/69/456342269.db2.gz AORRVSSTXGWZQP-JKSUJKDBSA-N 1 0 349.456 3.283 20 5 EGBDRO Cc1c(C(=O)N[C@H](C[NH+](C)C)c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000290498868 456344862 /nfs/dbraw/zinc/34/48/62/456344862.db2.gz MVIRONKSEXZJPY-MRXNPFEDSA-N 1 0 345.374 3.075 20 5 EGBDRO C[C@@H](Nc1ncc([N+](=O)[O-])s1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000281913222 456359402 /nfs/dbraw/zinc/35/94/02/456359402.db2.gz NNOBBKLHYPDGIA-OCCSQVGLSA-N 1 0 332.429 3.374 20 5 EGBDRO O=[N+]([O-])c1ccc(NCC23CCC[NH+]2CCC3)c(Br)c1 ZINC000343056306 456376280 /nfs/dbraw/zinc/37/62/80/456376280.db2.gz WXSBDRXOCYPIHQ-UHFFFAOYSA-N 1 0 340.221 3.398 20 5 EGBDRO O=C1[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCN1C1CCCCC1 ZINC000276164542 456403258 /nfs/dbraw/zinc/40/32/58/456403258.db2.gz HOKMAEVFXXMBBS-QGZVFWFLSA-N 1 0 331.416 3.008 20 5 EGBDRO CCCN(CCC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000276475906 456493054 /nfs/dbraw/zinc/49/30/54/456493054.db2.gz ZEZDDSBIJAMJIK-UHFFFAOYSA-N 1 0 327.812 3.052 20 5 EGBDRO O=C(CN1CCC[C@H]1c1ccc[nH]1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000298759033 456532952 /nfs/dbraw/zinc/53/29/52/456532952.db2.gz JUEWPHAJEZCAIF-AWEZNQCLSA-N 1 0 348.790 3.352 20 5 EGBDRO CCO[C@H]1COCC[C@H]1[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000353174062 456539066 /nfs/dbraw/zinc/53/90/66/456539066.db2.gz DSZUHKYTEHISHX-AEFFLSMTSA-N 1 0 346.383 3.138 20 5 EGBDRO O=[N+]([O-])c1cc2ccccc2nc1N1CCC[C@H]1C[NH+]1CCCC1 ZINC000276650809 456543109 /nfs/dbraw/zinc/54/31/09/456543109.db2.gz QSJXQYAPXAVELT-HNNXBMFYSA-N 1 0 326.400 3.208 20 5 EGBDRO CC[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C[C@@H](C)OC ZINC000291286257 456591812 /nfs/dbraw/zinc/59/18/12/456591812.db2.gz QSGUPNDRYLUAFG-CYBMUJFWSA-N 1 0 333.388 3.149 20 5 EGBDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1csc([N+](=O)[O-])c1 ZINC000299087863 456601807 /nfs/dbraw/zinc/60/18/07/456601807.db2.gz ZBQHJWKSBSPBCF-LBPRGKRZSA-N 1 0 325.434 3.041 20 5 EGBDRO CCN(Cc1ccc(C[NH+](C)C)cc1)c1ccc([N+](=O)[O-])c(C)n1 ZINC000348351224 456641909 /nfs/dbraw/zinc/64/19/09/456641909.db2.gz KQJPTSODCITZFS-UHFFFAOYSA-N 1 0 328.416 3.386 20 5 EGBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000291546596 456675185 /nfs/dbraw/zinc/67/51/85/456675185.db2.gz MIWFGLPJAFKHMC-LLVKDONJSA-N 1 0 327.812 3.098 20 5 EGBDRO C[C@H](CNc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-])[NH+](C)C ZINC000340782563 456682740 /nfs/dbraw/zinc/68/27/40/456682740.db2.gz RADHNMMFCCRVDA-CYBMUJFWSA-N 1 0 327.384 3.188 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000277164037 456704239 /nfs/dbraw/zinc/70/42/39/456704239.db2.gz YMVQQOHPKINPLU-CQSZACIVSA-N 1 0 334.420 3.160 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](CC(C)C)N2CCOCC2)cc1[N+](=O)[O-] ZINC000327296908 456704696 /nfs/dbraw/zinc/70/46/96/456704696.db2.gz LRGBLUCOMITATL-SJLPKXTDSA-N 1 0 349.475 3.301 20 5 EGBDRO Cn1ccnc1[C@@H]([NH2+]C[C@@H]1CC=CCC1)c1cccc([N+](=O)[O-])c1 ZINC000353501998 456718873 /nfs/dbraw/zinc/71/88/73/456718873.db2.gz JZYGLQSKMBAYDU-PBHICJAKSA-N 1 0 326.400 3.364 20 5 EGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@](CO)(c2ccccc2)C1 ZINC000291708375 456728649 /nfs/dbraw/zinc/72/86/49/456728649.db2.gz IJKDTRMRNNIWDR-HNAYVOBHSA-N 1 0 326.396 3.292 20 5 EGBDRO Cc1nc(CC[N@@H+](C)Cc2cc(=O)oc3ccc4ccccc4c23)no1 ZINC000299577330 456733183 /nfs/dbraw/zinc/73/31/83/456733183.db2.gz IBTYMDCIUUWRGG-UHFFFAOYSA-N 1 0 349.390 3.312 20 5 EGBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000340902036 456750173 /nfs/dbraw/zinc/75/01/73/456750173.db2.gz LSCIRZCIZJIWOE-DOMZBBRYSA-N 1 0 331.420 3.223 20 5 EGBDRO O=C(CC[N@@H+]1CCC[C@@H]1c1ccc[nH]1)Nc1ccccc1[N+](=O)[O-] ZINC000283279115 456750515 /nfs/dbraw/zinc/75/05/15/456750515.db2.gz LXDRYZKTNDEXFZ-OAHLLOKOSA-N 1 0 328.372 3.089 20 5 EGBDRO CC[C@@H]1CC[C@@H](C)[N@@H+]1CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000299726474 456775288 /nfs/dbraw/zinc/77/52/88/456775288.db2.gz UXOBYXVHJMHFMC-CHWSQXEVSA-N 1 0 335.404 3.195 20 5 EGBDRO C[C@H]([NH2+]CC(=O)N1CCC[C@H]2CCCC[C@@H]21)c1cccc([N+](=O)[O-])c1 ZINC000299733961 456777207 /nfs/dbraw/zinc/77/72/07/456777207.db2.gz ZEDGTVAGYRWVMQ-DAYGRLMNSA-N 1 0 345.443 3.427 20 5 EGBDRO CCOC(=O)c1coc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000348678617 456813850 /nfs/dbraw/zinc/81/38/50/456813850.db2.gz XIMQCESOVXPXTA-UHFFFAOYSA-N 1 0 332.356 3.039 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1NC1CC[NH+](Cc2ccccn2)CC1 ZINC000301182196 456816253 /nfs/dbraw/zinc/81/62/53/456816253.db2.gz NKOJVXJNHRTSOY-UHFFFAOYSA-N 1 0 326.400 3.375 20 5 EGBDRO CC[N@@H+](Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1)C[C@H](C)O ZINC000348710635 456824796 /nfs/dbraw/zinc/82/47/96/456824796.db2.gz PBACOOCCHACWAP-LBPRGKRZSA-N 1 0 334.372 3.066 20 5 EGBDRO CCc1ccc([C@@H](COC)N[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)o1 ZINC000283692656 456825754 /nfs/dbraw/zinc/82/57/54/456825754.db2.gz AKHOLZHYPVCETD-XHDPSFHLSA-N 1 0 333.388 3.371 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@@H](O)C(F)F)s1 ZINC000344777371 456858110 /nfs/dbraw/zinc/85/81/10/456858110.db2.gz QNFVOHUDFSYXPC-GFCCVEGCSA-N 1 0 328.340 3.039 20 5 EGBDRO COc1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)cc1[N+](=O)[O-] ZINC000339051106 456916905 /nfs/dbraw/zinc/91/69/05/456916905.db2.gz DCZGCSMRZLVQPY-IAOVAPTHSA-N 1 0 332.400 3.041 20 5 EGBDRO CCC[NH+](CCC)CCCNc1nc2sccn2c1[N+](=O)[O-] ZINC000341816273 456956791 /nfs/dbraw/zinc/95/67/91/456956791.db2.gz MJQIPWKBHRUCNB-UHFFFAOYSA-N 1 0 325.438 3.228 20 5 EGBDRO COc1ccc(-c2ccc(C[N@@H+]3CC[C@@H](C)[C@H](O)C3)o2)c([N+](=O)[O-])c1 ZINC000349407270 456962974 /nfs/dbraw/zinc/96/29/74/456962974.db2.gz NDLGYEWLDILTOZ-SJKOYZFVSA-N 1 0 346.383 3.066 20 5 EGBDRO CC[NH+](CC)[C@@H](CNc1c([N+](=O)[O-])c(C)nn1C)Cc1ccccc1 ZINC000358868272 457013252 /nfs/dbraw/zinc/01/32/52/457013252.db2.gz GWVBFQQKDQEROI-MRXNPFEDSA-N 1 0 345.447 3.002 20 5 EGBDRO C[C@@]1(O)CC[N@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000354026228 457019255 /nfs/dbraw/zinc/01/92/55/457019255.db2.gz PRDMFTXSQVDWPC-GOSISDBHSA-N 1 0 346.358 3.483 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)o1 ZINC000346323216 457033371 /nfs/dbraw/zinc/03/33/71/457033371.db2.gz FVBKYPAMNUAZEQ-MJEQTWJJSA-N 1 0 328.368 3.058 20 5 EGBDRO Cc1cc(C(=O)N(C)CC[N@H+](C)C2CCCCC2)cc([N+](=O)[O-])c1 ZINC000330514589 457052195 /nfs/dbraw/zinc/05/21/95/457052195.db2.gz UUMDWMAHMDBXAY-UHFFFAOYSA-N 1 0 333.432 3.240 20 5 EGBDRO COc1ccc(NC(=O)[C@H](C)[NH2+]C2[C@H](C)CCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000331352733 457172563 /nfs/dbraw/zinc/17/25/63/457172563.db2.gz ORANCYXODLOIOC-UPJWGTAASA-N 1 0 349.431 3.345 20 5 EGBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H](c1cccc(F)c1)C1CCCC1 ZINC000342245150 457188859 /nfs/dbraw/zinc/18/88/59/457188859.db2.gz PRZMEZCKDYSCKS-INIZCTEOSA-N 1 0 332.379 3.489 20 5 EGBDRO COC(=O)CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)CC(C)C ZINC000360005844 457197758 /nfs/dbraw/zinc/19/77/58/457197758.db2.gz VOWDJROBZHEVCA-UHFFFAOYSA-N 1 0 328.796 3.269 20 5 EGBDRO C[C@H]1CN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H](C)[NH+]1C ZINC000354447442 457228393 /nfs/dbraw/zinc/22/83/93/457228393.db2.gz NUQWTMVRBMIZKU-KBPBESRZSA-N 1 0 329.400 3.379 20 5 EGBDRO C[C@H]1CCC[C@H](C)C1[NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000331713316 457236268 /nfs/dbraw/zinc/23/62/68/457236268.db2.gz MAXPFGJXXNSUGO-STQMWFEESA-N 1 0 347.415 3.307 20 5 EGBDRO CC[C@@H]([NH2+]CCNC(=O)c1cccc(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000360139406 457271146 /nfs/dbraw/zinc/27/11/46/457271146.db2.gz KYCRMCMHQSJOJS-GOSISDBHSA-N 1 0 341.411 3.374 20 5 EGBDRO C[C@@H]1CC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC12CCC2 ZINC000357028332 457285482 /nfs/dbraw/zinc/28/54/82/457285482.db2.gz UNIMAVZMDIDDFU-PBHICJAKSA-N 1 0 343.427 3.212 20 5 EGBDRO C[C@H](CCNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000347222635 457295740 /nfs/dbraw/zinc/29/57/40/457295740.db2.gz FDDOBQDMWWDBMV-GFCCVEGCSA-N 1 0 338.383 3.120 20 5 EGBDRO CC(C)c1ccc(C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)cc1[N+](=O)[O-] ZINC000347363244 457376129 /nfs/dbraw/zinc/37/61/29/457376129.db2.gz RPWCTGDPFPTVOT-MRXNPFEDSA-N 1 0 345.443 3.465 20 5 EGBDRO Cc1nc(S[C@@H]2CCC[N@H+](Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000425280517 457480958 /nfs/dbraw/zinc/48/09/58/457480958.db2.gz KGRKWMCKFAASRE-OAHLLOKOSA-N 1 0 344.440 3.450 20 5 EGBDRO Cc1nn(C)c(S[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000425286763 457482874 /nfs/dbraw/zinc/48/28/74/457482874.db2.gz UYUZNHOOMJWBMN-HNNXBMFYSA-N 1 0 346.456 3.393 20 5 EGBDRO CC(C)C[N@@H+]1CCC[C@@H](CNc2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000342777638 457520552 /nfs/dbraw/zinc/52/05/52/457520552.db2.gz JIJVJLKQGJBYDG-LBPRGKRZSA-N 1 0 349.460 3.379 20 5 EGBDRO CCCC[N@H+](CCCO)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425457616 457561385 /nfs/dbraw/zinc/56/13/85/457561385.db2.gz LLAJDJSOWJJQCF-UHFFFAOYSA-N 1 0 345.237 3.342 20 5 EGBDRO C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@@H](O)Cc1ccccc1 ZINC000433056480 457656073 /nfs/dbraw/zinc/65/60/73/457656073.db2.gz YXKWZRHKCOUREN-INIZCTEOSA-N 1 0 334.803 3.284 20 5 EGBDRO CC1(C)C[C@@H]([NH2+][C@@H]2CCn3ccnc3C2)c2cc([N+](=O)[O-])ccc21 ZINC000433064481 457657592 /nfs/dbraw/zinc/65/75/92/457657592.db2.gz AZBPHBANXRKJGL-MLGOLLRUSA-N 1 0 326.400 3.118 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CCCC(C)(C)CC1 ZINC000357787305 457689782 /nfs/dbraw/zinc/68/97/82/457689782.db2.gz VDDJWKFSAAEIIN-ZDUSSCGKSA-N 1 0 349.431 3.443 20 5 EGBDRO CCC[N@H+](CC)C[C@H](C)Nc1ncc([N+](=O)[O-])cc1Br ZINC000357789244 457690865 /nfs/dbraw/zinc/69/08/65/457690865.db2.gz WYZZUNDXYBMVTL-JTQLQIEISA-N 1 0 345.241 3.285 20 5 EGBDRO C[C@@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)[N@@H+]1CCC[C@@H](C)C1 ZINC000357838495 457706962 /nfs/dbraw/zinc/70/69/62/457706962.db2.gz LEPKNJXWSRMYID-OLZOCXBDSA-N 1 0 345.399 3.191 20 5 EGBDRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1csc([N+](=O)[O-])c1)[NH+](C)C ZINC000357875114 457720490 /nfs/dbraw/zinc/72/04/90/457720490.db2.gz RRJVPRKJONIGNJ-WBMJQRKESA-N 1 0 347.440 3.386 20 5 EGBDRO C[N@@H+]1CCCC12CCN(c1ccc([N+](=O)[O-])c3cnccc31)CC2 ZINC000374988801 457745958 /nfs/dbraw/zinc/74/59/58/457745958.db2.gz OQCVYPZUAAMECG-UHFFFAOYSA-N 1 0 326.400 3.208 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCS[C@@H](c3ccccc3)C2)c1 ZINC000370999368 457755342 /nfs/dbraw/zinc/75/53/42/457755342.db2.gz QCWQJPQJVISZIK-QZTJIDSGSA-N 1 0 344.436 3.418 20 5 EGBDRO CCC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)CC(C)C ZINC000411204866 457829651 /nfs/dbraw/zinc/82/96/51/457829651.db2.gz YFMFSUCMILXSTA-UHFFFAOYSA-N 1 0 337.420 3.300 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)[C@H]1OCCc2sccc21 ZINC000366537357 457844167 /nfs/dbraw/zinc/84/41/67/457844167.db2.gz WZCHVKYAQYYUGS-APPDUMDISA-N 1 0 348.424 3.457 20 5 EGBDRO CC[C@@H]1C[C@H](C)C[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000411306873 457854523 /nfs/dbraw/zinc/85/45/23/457854523.db2.gz WSMMEMJHKIQLJC-QWHCGFSZSA-N 1 0 335.404 3.052 20 5 EGBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)c1 ZINC000371312350 457859615 /nfs/dbraw/zinc/85/96/15/457859615.db2.gz CAFODELGHZSAHK-VXGBXAGGSA-N 1 0 342.342 3.055 20 5 EGBDRO CC[C@@H]([NH2+]CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C(C)(C)C ZINC000411486623 457900396 /nfs/dbraw/zinc/90/03/96/457900396.db2.gz HSLUOYNEDMCTJK-OAHLLOKOSA-N 1 0 337.420 3.346 20 5 EGBDRO CC[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCC[C@H]1C ZINC000444660131 457929827 /nfs/dbraw/zinc/92/98/27/457929827.db2.gz RMMNXJWUWMBXRP-PBHICJAKSA-N 1 0 333.432 3.458 20 5 EGBDRO CC[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H]1CCCC[C@H]1C ZINC000444674119 457935884 /nfs/dbraw/zinc/93/58/84/457935884.db2.gz JLLOPJXPRSFPLW-RHSMWYFYSA-N 1 0 345.443 3.385 20 5 EGBDRO CC[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCCC[C@H]1C ZINC000444677414 457937539 /nfs/dbraw/zinc/93/75/39/457937539.db2.gz PPQBHLZJZDUBQN-UWWQBHOKSA-N 1 0 336.432 3.235 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2ccc(CN3CC[C@@H]4[NH2+]CC[C@@H]4C3)o2)c1 ZINC000427132939 457947025 /nfs/dbraw/zinc/94/70/25/457947025.db2.gz IVBSJFBHQYDPNG-PBHICJAKSA-N 1 0 327.384 3.039 20 5 EGBDRO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)CC(C)(C)C ZINC000411743623 457968463 /nfs/dbraw/zinc/96/84/63/457968463.db2.gz IJGNOJGTVLBFPD-UHFFFAOYSA-N 1 0 337.420 3.300 20 5 EGBDRO CCc1ccc([C@@H]2CCC[N@H+](Cc3c([N+](=O)[O-])ncn3C)C2)cc1 ZINC000375802884 458072681 /nfs/dbraw/zinc/07/26/81/458072681.db2.gz XQXIGNIOPHSQJI-MRXNPFEDSA-N 1 0 328.416 3.270 20 5 EGBDRO COc1ccc(-c2ccc(CN3CC[C@H]([NH3+])[C@H](C)C3)o2)c([N+](=O)[O-])c1 ZINC000435375914 458126069 /nfs/dbraw/zinc/12/60/69/458126069.db2.gz OWGVZRHYBLQJBZ-WBMJQRKESA-N 1 0 345.399 3.033 20 5 EGBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000435387618 458132860 /nfs/dbraw/zinc/13/28/60/458132860.db2.gz BLHPWSCYHYHNKS-WBMJQRKESA-N 1 0 346.456 3.420 20 5 EGBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000435591428 458168351 /nfs/dbraw/zinc/16/83/51/458168351.db2.gz FGOUULVURPQTDA-OAHLLOKOSA-N 1 0 335.452 3.329 20 5 EGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCc2ccc(F)cc2)n1 ZINC000447514512 458303757 /nfs/dbraw/zinc/30/37/57/458303757.db2.gz FSWUUOXJUHYVOK-HZPDHXFCSA-N 1 0 332.379 3.246 20 5 EGBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000436512759 458319433 /nfs/dbraw/zinc/31/94/33/458319433.db2.gz SCKADRJIQRURSX-AWEZNQCLSA-N 1 0 334.420 3.208 20 5 EGBDRO CC[NH+](CC)CCN(Cc1ccccc1)c1ncccc1[N+](=O)[O-] ZINC000447644134 458325798 /nfs/dbraw/zinc/32/57/98/458325798.db2.gz PXJFHTWDMOZWSP-UHFFFAOYSA-N 1 0 328.416 3.338 20 5 EGBDRO C[N@@H+]1CCCC12CCN(c1nc3ccccc3cc1[N+](=O)[O-])CC2 ZINC000372755448 458329260 /nfs/dbraw/zinc/32/92/60/458329260.db2.gz BSBXUVFEGIEOFN-UHFFFAOYSA-N 1 0 326.400 3.208 20 5 EGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CO)CC(F)F ZINC000429461693 458335034 /nfs/dbraw/zinc/33/50/34/458335034.db2.gz LWDFJVMLOUSEOK-GHMZBOCLSA-N 1 0 334.388 3.071 20 5 EGBDRO C[N@@H+]1CC[C@@]2(CCN(Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2)C1 ZINC000430133384 458408103 /nfs/dbraw/zinc/40/81/03/458408103.db2.gz NOJYKFMBUNXOTH-LJQANCHMSA-N 1 0 341.411 3.382 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000459578754 458417439 /nfs/dbraw/zinc/41/74/39/458417439.db2.gz JADKLZSZDSDPRQ-ZDUSSCGKSA-N 1 0 334.420 3.011 20 5 EGBDRO CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000430813982 458493973 /nfs/dbraw/zinc/49/39/73/458493973.db2.gz HGAVIHYVPIAXNC-IAGOWNOFSA-N 1 0 347.459 3.154 20 5 EGBDRO O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000437850924 458502392 /nfs/dbraw/zinc/50/23/92/458502392.db2.gz JODDWPWCTXYIQP-HNNXBMFYSA-N 1 0 349.406 3.261 20 5 EGBDRO COc1ccc(NC(=O)C[N@H+](C)C2CCC(C)(C)CC2)c([N+](=O)[O-])c1 ZINC000438508021 458587609 /nfs/dbraw/zinc/58/76/09/458587609.db2.gz XIHGZXHVANSGSD-UHFFFAOYSA-N 1 0 349.431 3.443 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000470170700 458621822 /nfs/dbraw/zinc/62/18/22/458621822.db2.gz ZFIGHXAIUJNREK-YBCWHDTPSA-N 1 0 329.444 3.414 20 5 EGBDRO O=[N+]([O-])c1cccc2c(N3CCC[C@@H]([NH+]4CCCC4)C3)ccnc21 ZINC000432313475 458712820 /nfs/dbraw/zinc/71/28/20/458712820.db2.gz RNZDKKZJABASMG-CQSZACIVSA-N 1 0 326.400 3.208 20 5 EGBDRO Cc1c([C@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)cnn1C(C)C ZINC000530330124 458749401 /nfs/dbraw/zinc/74/94/01/458749401.db2.gz HTVRDSISAWJNOV-ZDUSSCGKSA-N 1 0 332.404 3.410 20 5 EGBDRO C[N@@H+]1CC[C@@H]2CCN(Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)[C@H]2C1 ZINC000495087709 458796454 /nfs/dbraw/zinc/79/64/54/458796454.db2.gz KXWMKZNMUWQWEB-KDOFPFPSSA-N 1 0 341.411 3.381 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]CCOC(F)(F)F ZINC000474029989 458856320 /nfs/dbraw/zinc/85/63/20/458856320.db2.gz JBXDHWHHHKFQLN-DGCLKSJQSA-N 1 0 332.322 3.432 20 5 EGBDRO CCOc1ccc2c(c1)CCN(CCOc1ccccc1[N+](=O)[O-])C2 ZINC000441066047 458883254 /nfs/dbraw/zinc/88/32/54/458883254.db2.gz KVPOAFDAPLJJEO-UHFFFAOYSA-N 1 0 342.395 3.431 20 5 EGBDRO CCC[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000466486462 458902030 /nfs/dbraw/zinc/90/20/30/458902030.db2.gz MPRWACYYZFZIQZ-KBPBESRZSA-N 1 0 349.431 3.443 20 5 EGBDRO CC(C)(O)C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C1CCOCC1 ZINC000531415844 458915160 /nfs/dbraw/zinc/91/51/60/458915160.db2.gz SETGHRLALXZOHK-UHFFFAOYSA-N 1 0 342.823 3.000 20 5 EGBDRO CC(C)[N@@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000531535029 458930772 /nfs/dbraw/zinc/93/07/72/458930772.db2.gz ZQVHQDLGTHJWCH-LLVKDONJSA-N 1 0 329.347 3.338 20 5 EGBDRO CC[C@@H](CO)[N@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000467187499 458955553 /nfs/dbraw/zinc/95/55/53/458955553.db2.gz RYYQAFOCOZYKPL-KRWDZBQOSA-N 1 0 344.411 3.247 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCCCn1ccnc1)C1CC1 ZINC000531684708 458960196 /nfs/dbraw/zinc/96/01/96/458960196.db2.gz RRYVQDVGBGHNOQ-KRWDZBQOSA-N 1 0 328.416 3.182 20 5 EGBDRO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C[C@@H](O)Cc1ccccc1 ZINC000556895590 459029966 /nfs/dbraw/zinc/02/99/66/459029966.db2.gz VAFSQTFJHAMVHW-VTSXBNNFSA-N 1 0 326.396 3.143 20 5 EGBDRO CC[C@H]([NH2+]Cc1ccc(OCCOC)nc1)c1cccc([N+](=O)[O-])c1 ZINC000532192507 459044865 /nfs/dbraw/zinc/04/48/65/459044865.db2.gz PAFHLJQBVLMWIX-KRWDZBQOSA-N 1 0 345.399 3.256 20 5 EGBDRO O=C(CC[NH2+][C@H]1CCOC2(CCCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000577603006 459059755 /nfs/dbraw/zinc/05/97/55/459059755.db2.gz XNNFJPATEOXVSO-AWEZNQCLSA-N 1 0 347.415 3.005 20 5 EGBDRO Cc1cccc(C(=O)NCC[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000532447797 459089682 /nfs/dbraw/zinc/08/96/82/459089682.db2.gz PIWAIMJQIZKOOA-HNNXBMFYSA-N 1 0 341.411 3.292 20 5 EGBDRO O=[N+]([O-])c1cc2c(ncnc2N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)s1 ZINC000594597610 459103331 /nfs/dbraw/zinc/10/33/31/459103331.db2.gz DDGKPOZNVXUDPZ-NEPJUHHUSA-N 1 0 333.417 3.028 20 5 EGBDRO CO[C@]1(C)C[C@H]([NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000532530527 459105903 /nfs/dbraw/zinc/10/59/03/459105903.db2.gz YZQRZMJJFUEOHI-HNJNHCNJSA-N 1 0 349.431 3.105 20 5 EGBDRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000590566669 459149963 /nfs/dbraw/zinc/14/99/63/459149963.db2.gz OUFVSRVAEOTLGW-SWLSCSKDSA-N 1 0 333.432 3.057 20 5 EGBDRO COc1ccc(-c2ccc(CN(C)CCC[NH+](C)C)o2)c([N+](=O)[O-])c1 ZINC000558415959 459154994 /nfs/dbraw/zinc/15/49/94/459154994.db2.gz FRYNSBRPSIIZCK-UHFFFAOYSA-N 1 0 347.415 3.247 20 5 EGBDRO O=C(CC[NH2+][C@@H]1C[C@H]1c1cccc(F)c1)Nc1ccccc1[N+](=O)[O-] ZINC000521994580 459201822 /nfs/dbraw/zinc/20/18/22/459201822.db2.gz FLVJBOQMURABJE-GOEBONIOSA-N 1 0 343.358 3.208 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cc(COC)cs1 ZINC000594987059 459206528 /nfs/dbraw/zinc/20/65/28/459206528.db2.gz WAXCWLUTZJOBIM-UHFFFAOYSA-N 1 0 336.413 3.491 20 5 EGBDRO CCSC1(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000594987136 459206636 /nfs/dbraw/zinc/20/66/36/459206636.db2.gz SONODJCJUFNBIJ-UHFFFAOYSA-N 1 0 346.456 3.371 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC(C)(C)[C@]1(O)CCCOC1 ZINC000594993896 459208996 /nfs/dbraw/zinc/20/89/96/459208996.db2.gz ADWCLFLMXWOUON-XZGNNNQISA-N 1 0 348.443 3.155 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CC[C@](O)(C(F)(F)F)C1 ZINC000595037089 459224211 /nfs/dbraw/zinc/22/42/11/459224211.db2.gz BKUVUEGERZBYAE-IMSIIYSGSA-N 1 0 348.321 3.100 20 5 EGBDRO CSCC1(CC[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000595066005 459234887 /nfs/dbraw/zinc/23/48/87/459234887.db2.gz ICVWMSDEGAYBCU-KGLIPLIRSA-N 1 0 338.477 3.398 20 5 EGBDRO CCOc1ccc([C@H](C)[NH2+]Cc2c(C3CC3)cnn2C)cc1[N+](=O)[O-] ZINC000595078060 459238675 /nfs/dbraw/zinc/23/86/75/459238675.db2.gz SIQUYFSOWGAWRP-LBPRGKRZSA-N 1 0 344.415 3.455 20 5 EGBDRO Cc1c([C@H](C)[NH2+]CC(C)(C)[C@]2(O)CCCOC2)cccc1[N+](=O)[O-] ZINC000595099952 459246093 /nfs/dbraw/zinc/24/60/93/459246093.db2.gz HHKWPJGEXPMANA-KSSFIOAISA-N 1 0 336.432 3.122 20 5 EGBDRO Cc1ccccc1C(C)(C)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000559326166 459251761 /nfs/dbraw/zinc/25/17/61/459251761.db2.gz HSPBNVNQRMXZDZ-INIZCTEOSA-N 1 0 344.411 3.168 20 5 EGBDRO C[C@@H]1CCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)[C@@H]1CCC[NH3+] ZINC000595258948 459263625 /nfs/dbraw/zinc/26/36/25/459263625.db2.gz WWWWMTSZBLBBJE-IUODEOHRSA-N 1 0 345.399 3.321 20 5 EGBDRO CC(C)C1CCC([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000581998817 459289605 /nfs/dbraw/zinc/28/96/05/459289605.db2.gz XTRMXVZIPMYWTH-UYSNPLJNSA-N 1 0 336.432 3.139 20 5 EGBDRO C[N@@H+]1CCCC12CCN(c1nccc3ccc([N+](=O)[O-])cc31)CC2 ZINC000591153434 459323855 /nfs/dbraw/zinc/32/38/55/459323855.db2.gz NJRDUEPXXDWWJD-UHFFFAOYSA-N 1 0 326.400 3.208 20 5 EGBDRO C[C@@H](C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2)CC(F)(F)F ZINC000591265412 459343488 /nfs/dbraw/zinc/34/34/88/459343488.db2.gz ZPZQLOHLZHCACB-SECBINFHSA-N 1 0 334.294 3.044 20 5 EGBDRO COCC[N@H+](CCc1ccccc1)CCc1ccc([N+](=O)[O-])cc1 ZINC000524425153 459362569 /nfs/dbraw/zinc/36/25/69/459362569.db2.gz WTNAKZALFZAHJS-UHFFFAOYSA-N 1 0 328.412 3.328 20 5 EGBDRO COC(=O)[C@H]1CCCC[C@@]1(C)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000541119981 459429631 /nfs/dbraw/zinc/42/96/31/459429631.db2.gz NILYQVHHRBYJTN-CZUORRHYSA-N 1 0 340.807 3.460 20 5 EGBDRO CC[C@H]([NH2+]Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])C1CC1 ZINC000595766481 459432379 /nfs/dbraw/zinc/43/23/79/459432379.db2.gz WICHXYPTANATLX-NSHDSACASA-N 1 0 330.331 3.483 20 5 EGBDRO Cc1cc(NC[C@H](CCO)CC(C)C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000541189980 459433491 /nfs/dbraw/zinc/43/34/91/459433491.db2.gz NCZOEZCSBNYQHW-CQSZACIVSA-N 1 0 331.416 3.330 20 5 EGBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H]1C1CCCCC1 ZINC000541282772 459439445 /nfs/dbraw/zinc/43/94/45/459439445.db2.gz UUQJLODSYCZNRQ-IAGOWNOFSA-N 1 0 348.443 3.379 20 5 EGBDRO CC[N@@H+](Cc1ccc(C)cc1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000541282554 459439952 /nfs/dbraw/zinc/43/99/52/459439952.db2.gz NSLWHRIUGNVSID-KRWDZBQOSA-N 1 0 344.411 3.165 20 5 EGBDRO COCC[N@H+](CCOc1ccccc1[N+](=O)[O-])C[C@H]1CC=CCC1 ZINC000485104874 459441559 /nfs/dbraw/zinc/44/15/59/459441559.db2.gz KQIWYINWQOQFAB-INIZCTEOSA-N 1 0 334.416 3.278 20 5 EGBDRO CN(CC[N@H+](C)C1CC1)c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000485416715 459453723 /nfs/dbraw/zinc/45/37/23/459453723.db2.gz OVSMUHVWIZYZDB-UHFFFAOYSA-N 1 0 344.390 3.326 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+]C1(CC(C)C)CC1 ZINC000595831404 459456605 /nfs/dbraw/zinc/45/66/05/459456605.db2.gz MYXNJBBXNFTRKG-UHFFFAOYSA-N 1 0 335.404 3.100 20 5 EGBDRO COc1ccc(NC(=O)CC[NH2+]C2(CC(C)C)CC2)c([N+](=O)[O-])c1 ZINC000595831748 459458217 /nfs/dbraw/zinc/45/82/17/459458217.db2.gz RFZIJXROYONFJM-UHFFFAOYSA-N 1 0 335.404 3.100 20 5 EGBDRO COc1ccc(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])c(C)c1 ZINC000569568162 459472779 /nfs/dbraw/zinc/47/27/79/459472779.db2.gz GDLCFRAPSAHELH-UHFFFAOYSA-N 1 0 343.383 3.030 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000595900352 459481207 /nfs/dbraw/zinc/48/12/07/459481207.db2.gz CYVUYKNKNAABHA-AWEZNQCLSA-N 1 0 337.851 3.460 20 5 EGBDRO CC[NH+]1CCC(Nc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000596063092 459506193 /nfs/dbraw/zinc/50/61/93/459506193.db2.gz RBSDZMUIIXFMSZ-UHFFFAOYSA-N 1 0 328.210 3.254 20 5 EGBDRO CCC(CC)[C@@H](CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])[NH+](C)C ZINC000596072202 459508846 /nfs/dbraw/zinc/50/88/46/459508846.db2.gz ZLTANGRMAJOEMQ-MRXNPFEDSA-N 1 0 347.419 3.022 20 5 EGBDRO C[N@@H+]1CCC[C@@H](CNc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000596121241 459527592 /nfs/dbraw/zinc/52/75/92/459527592.db2.gz YIWWVWIHYCTJNM-JTQLQIEISA-N 1 0 328.210 3.111 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](C(C)(C)C)C1 ZINC000542320096 459547596 /nfs/dbraw/zinc/54/75/96/459547596.db2.gz PPAQMPIBVKKWJG-ZDUSSCGKSA-N 1 0 349.431 3.300 20 5 EGBDRO CC1CC[NH+](C2CCC(Nc3cc[nH]c(=O)c3[N+](=O)[O-])CC2)CC1 ZINC000596173609 459548291 /nfs/dbraw/zinc/54/82/91/459548291.db2.gz YFKQFNXKDGWLDM-UHFFFAOYSA-N 1 0 334.420 3.150 20 5 EGBDRO Cc1c([C@H](C)[NH2+][C@H]2CCC[C@@H](N3CCCC3=O)C2)cccc1[N+](=O)[O-] ZINC000583511167 459552230 /nfs/dbraw/zinc/55/22/30/459552230.db2.gz RXZZNZDYQHJEOO-HRCADAONSA-N 1 0 345.443 3.487 20 5 EGBDRO C[C@H]1C[N@H+](CCCNc2ccc(C(F)F)cc2[N+](=O)[O-])CCCO1 ZINC000596207833 459560861 /nfs/dbraw/zinc/56/08/61/459560861.db2.gz GJDSGHPFWUWJQN-LBPRGKRZSA-N 1 0 343.374 3.445 20 5 EGBDRO CSc1ccc([C@@H](CNc2cc[nH]c(=O)c2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000596247701 459573805 /nfs/dbraw/zinc/57/38/05/459573805.db2.gz KZJGPXHELARTAV-CQSZACIVSA-N 1 0 348.428 3.132 20 5 EGBDRO Cc1cc(C(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000498406638 459589460 /nfs/dbraw/zinc/58/94/60/459589460.db2.gz RHXGPNCECYFHSC-HOTGVXAUSA-N 1 0 347.459 3.391 20 5 EGBDRO CC[C@H]1CN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[C@@H]1[NH3+] ZINC000592427765 459598291 /nfs/dbraw/zinc/59/82/91/459598291.db2.gz ZPVAIOXJHSZGAC-LRDDRELGSA-N 1 0 346.456 3.278 20 5 EGBDRO CC[C@H]1CN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000592544678 459629485 /nfs/dbraw/zinc/62/94/85/459629485.db2.gz GKKRYUYMJPEHCC-WFASDCNBSA-N 1 0 333.432 3.092 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1)CCC2 ZINC000584271578 459695343 /nfs/dbraw/zinc/69/53/43/459695343.db2.gz URAXVVSUQHQMTM-SWLSCSKDSA-N 1 0 343.349 3.198 20 5 EGBDRO C[C@@H]1CC[N@H+](CCOc2ccc(-c3ccc([N+](=O)[O-])nc3)cc2)C1 ZINC000596637347 459708653 /nfs/dbraw/zinc/70/86/53/459708653.db2.gz HSYIKWUFPMXGCI-CQSZACIVSA-N 1 0 327.384 3.377 20 5 EGBDRO COC(=O)c1ccc(OC[C@@H]2CCCC[N@@H+]2C(C)C)c([N+](=O)[O-])c1 ZINC000573666111 459713541 /nfs/dbraw/zinc/71/35/41/459713541.db2.gz WKAGFRZZTAEHKF-AWEZNQCLSA-N 1 0 336.388 3.023 20 5 EGBDRO O=C(CC[N@@H+]1CC[C@@H](c2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000501132675 459714084 /nfs/dbraw/zinc/71/40/84/459714084.db2.gz HROAIWIGTXRNPM-MRXNPFEDSA-N 1 0 339.395 3.413 20 5 EGBDRO CCC[C@@H]1[C@H](C)CCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000544070713 459724141 /nfs/dbraw/zinc/72/41/41/459724141.db2.gz KJLJAKKIBYLVND-BZUAXINKSA-N 1 0 336.432 3.235 20 5 EGBDRO CCC[C@@H]1[C@@H](C)CCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000544070712 459724498 /nfs/dbraw/zinc/72/44/98/459724498.db2.gz KJLJAKKIBYLVND-ARFHVFGLSA-N 1 0 336.432 3.235 20 5 EGBDRO CCCCC[C@H]1CCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000544145283 459733897 /nfs/dbraw/zinc/73/38/97/459733897.db2.gz HLMRTFHEOFJYET-JKSUJKDBSA-N 1 0 336.432 3.379 20 5 EGBDRO CC(C)(C)c1ccc(C(=O)NCc2ccc(C[NH3+])cc2)cc1[N+](=O)[O-] ZINC000584471010 459748422 /nfs/dbraw/zinc/74/84/22/459748422.db2.gz SRFYQGIZNJSSGD-UHFFFAOYSA-N 1 0 341.411 3.281 20 5 EGBDRO CC[C@@H]1CO[C@@H](CC)C[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000593058822 459759578 /nfs/dbraw/zinc/75/95/78/459759578.db2.gz PBCDVKHDXLWWOQ-ZBFHGGJFSA-N 1 0 349.431 3.121 20 5 EGBDRO CC(C)CC(C)(C)C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000566113404 459807656 /nfs/dbraw/zinc/80/76/56/459807656.db2.gz YYMDAOZZKGNDBJ-UHFFFAOYSA-N 1 0 342.461 3.030 20 5 EGBDRO [NH3+]Cc1ccc(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c(F)c1 ZINC000593320229 459840554 /nfs/dbraw/zinc/84/05/54/459840554.db2.gz BFSDVMQCEDOASA-GOSISDBHSA-N 1 0 329.375 3.360 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC000598262887 459842925 /nfs/dbraw/zinc/84/29/25/459842925.db2.gz NHXAEQMJKDBDLF-OAHLLOKOSA-N 1 0 333.432 3.062 20 5 EGBDRO C[C@H](c1ccccc1)[C@@H](CO)[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000586769582 459868063 /nfs/dbraw/zinc/86/80/63/459868063.db2.gz DEJNFUQKOUEBLD-PIGZYNQJSA-N 1 0 336.338 3.127 20 5 EGBDRO C[C@@H](O)C[C@H]1CCCCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000586779756 459870257 /nfs/dbraw/zinc/87/02/57/459870257.db2.gz YGCGHNSNSCCJRT-NVXWUHKLSA-N 1 0 336.432 3.379 20 5 EGBDRO O=[N+]([O-])c1ncccc1N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000608779502 459881893 /nfs/dbraw/zinc/88/18/93/459881893.db2.gz WRWWAKWQZQLOGU-UHFFFAOYSA-N 1 0 340.427 3.135 20 5 EGBDRO C[C@H]1C[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@]1(C)CO ZINC000597236313 459888612 /nfs/dbraw/zinc/88/86/12/459888612.db2.gz PRJZWRWPCAGTCS-YVEFUNNKSA-N 1 0 347.440 3.169 20 5 EGBDRO O=[N+]([O-])c1ncccc1N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000588072503 459908245 /nfs/dbraw/zinc/90/82/45/459908245.db2.gz UAXMVXJQVFZRQE-IBGZPJMESA-N 1 0 338.411 3.092 20 5 EGBDRO C[C@H](CN[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F)[N@H+](C)C1CC1 ZINC000593705130 459958345 /nfs/dbraw/zinc/95/83/45/459958345.db2.gz NPJCNNNHQBRXJG-QMTHXVAHSA-N 1 0 331.338 3.271 20 5 EGBDRO CO[C@](C)(C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC000602477003 459958607 /nfs/dbraw/zinc/95/86/07/459958607.db2.gz PESDQKIZUUBBLX-GOSISDBHSA-N 1 0 334.416 3.253 20 5 EGBDRO CC[N@H+](C)C[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602480863 459959318 /nfs/dbraw/zinc/95/93/18/459959318.db2.gz ZPXLWBITOJYJJN-GFCCVEGCSA-N 1 0 345.365 3.387 20 5 EGBDRO O=C(CC[N@@H+]1CC[C@H](c2ccco2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000609540363 459977893 /nfs/dbraw/zinc/97/78/93/459977893.db2.gz UEPSSVCUUPESBG-ZDUSSCGKSA-N 1 0 329.356 3.006 20 5 EGBDRO C[NH+]1CCC(N(C(=O)c2ccccc2[N+](=O)[O-])c2ccccc2)CC1 ZINC000609566648 459984222 /nfs/dbraw/zinc/98/42/22/459984222.db2.gz AEYWFNKTIIBBPP-UHFFFAOYSA-N 1 0 339.395 3.336 20 5 EGBDRO C[C@H]1CCC[C@H](C)C1[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602531618 459985000 /nfs/dbraw/zinc/98/50/00/459985000.db2.gz YPCPPUWEBZSSQH-KBPBESRZSA-N 1 0 332.448 3.373 20 5 EGBDRO O=[N+]([O-])c1sc(C[NH2+]CCc2cscn2)cc1Br ZINC000602556531 459995342 /nfs/dbraw/zinc/99/53/42/459995342.db2.gz RMNCAPUNEZCOBC-UHFFFAOYSA-N 1 0 348.247 3.208 20 5 EGBDRO COCCC1(C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602569183 460001305 /nfs/dbraw/zinc/00/13/05/460001305.db2.gz OTPSLPFVPONKHL-UHFFFAOYSA-N 1 0 349.250 3.325 20 5 EGBDRO C[NH+](C)[C@H](CNCc1nc2cc([N+](=O)[O-])ccc2o1)c1ccccc1 ZINC000602586661 460012167 /nfs/dbraw/zinc/01/21/67/460012167.db2.gz LZAUWECSNBJQQI-MRXNPFEDSA-N 1 0 340.383 3.129 20 5 EGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1CNCCC[NH+]1CCCC1 ZINC000602593175 460014754 /nfs/dbraw/zinc/01/47/54/460014754.db2.gz MXNQUKGIFIHVLU-UHFFFAOYSA-N 1 0 331.338 3.189 20 5 EGBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000609877658 460032598 /nfs/dbraw/zinc/03/25/98/460032598.db2.gz OETMHFUGTIEEKI-HNNXBMFYSA-N 1 0 347.459 3.497 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000597710113 460035017 /nfs/dbraw/zinc/03/50/17/460035017.db2.gz HAISDBBBHKSTHD-LJQANCHMSA-N 1 0 345.443 3.078 20 5 EGBDRO CO[C@@H](c1ccccc1)[C@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000602637207 460035605 /nfs/dbraw/zinc/03/56/05/460035605.db2.gz MUNJGKDFTUTIKY-KPZWWZAWSA-N 1 0 340.383 3.337 20 5 EGBDRO O=[N+]([O-])c1sc(C[NH2+]CCCOC(F)F)cc1Br ZINC000602658057 460046777 /nfs/dbraw/zinc/04/67/77/460046777.db2.gz HYUAYPJLZPTASF-UHFFFAOYSA-N 1 0 345.165 3.138 20 5 EGBDRO C[C@@H]1CCC[C@@]1(O)C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602677083 460059952 /nfs/dbraw/zinc/05/99/52/460059952.db2.gz RXNOJFZIOZTVOE-PRHODGIISA-N 1 0 349.250 3.060 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@H]2CCN(c3ccccc3F)C2)cc1 ZINC000602676949 460060135 /nfs/dbraw/zinc/06/01/35/460060135.db2.gz NQKUBXQHOAGZDW-MRXNPFEDSA-N 1 0 343.402 3.393 20 5 EGBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000589280502 460066170 /nfs/dbraw/zinc/06/61/70/460066170.db2.gz DRTVLWUFEIOIGH-OAHLLOKOSA-N 1 0 341.386 3.371 20 5 EGBDRO C[C@@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)CC(F)(F)F ZINC000602690078 460067408 /nfs/dbraw/zinc/06/74/08/460067408.db2.gz KYCDYMXCXSWUDR-LLVKDONJSA-N 1 0 346.353 3.137 20 5 EGBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@@H]3[C@H]3CCCOC3)nc2c1 ZINC000602703022 460074646 /nfs/dbraw/zinc/07/46/46/460074646.db2.gz XHHMFHQXXNUAQG-SWLSCSKDSA-N 1 0 331.372 3.127 20 5 EGBDRO Cc1cc(C)cc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1 ZINC000602706770 460076004 /nfs/dbraw/zinc/07/60/04/460076004.db2.gz FBLRLKXTIJYKAY-UHFFFAOYSA-N 1 0 340.427 3.365 20 5 EGBDRO CCC[C@@H]([NH2+]Cc1ccc(CC(N)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000589344902 460077039 /nfs/dbraw/zinc/07/70/39/460077039.db2.gz ZBSUYLSEXPUIHA-GOSISDBHSA-N 1 0 341.411 3.254 20 5 EGBDRO Cc1c(NC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cccc1[N+](=O)[O-] ZINC000594056437 460077711 /nfs/dbraw/zinc/07/77/11/460077711.db2.gz CLPYKNLHVTVQJP-GDBMZVCRSA-N 1 0 332.404 3.042 20 5 EGBDRO COc1cccc([C@H](C[NH2+]CCc2ccc([N+](=O)[O-])cc2)OC)c1 ZINC000602721568 460085944 /nfs/dbraw/zinc/08/59/44/460085944.db2.gz URWQOSOPTSRRSW-SFHVURJKSA-N 1 0 330.384 3.123 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594075432 460089853 /nfs/dbraw/zinc/08/98/53/460089853.db2.gz XAAHTRKDOKCIAL-GDBMZVCRSA-N 1 0 346.431 3.350 20 5 EGBDRO CC(C)C[C@@](C)(C[NH3+])NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000598914421 460091459 /nfs/dbraw/zinc/09/14/59/460091459.db2.gz CYHRCRYHILEVIQ-AWEZNQCLSA-N 1 0 328.800 3.133 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H]3C[C@@H](O)C3)o2)c(Cl)c1 ZINC000599008250 460125699 /nfs/dbraw/zinc/12/56/99/460125699.db2.gz XFJFQVXCCPELIC-KLPPZKSPSA-N 1 0 336.775 3.369 20 5 EGBDRO C[C@H](Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)C1CC[NH+](C)CC1 ZINC000599044368 460137990 /nfs/dbraw/zinc/13/79/90/460137990.db2.gz PVPPTROFIDOERE-LBPRGKRZSA-N 1 0 346.456 3.282 20 5 EGBDRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000594199301 460147026 /nfs/dbraw/zinc/14/70/26/460147026.db2.gz JKPJJDILEPNAPI-CABCVRRESA-N 1 0 343.383 3.088 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000602826487 460147186 /nfs/dbraw/zinc/14/71/86/460147186.db2.gz BLVRAUQFNJJECA-KURKYZTESA-N 1 0 340.427 3.368 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH+]2C[C@H]3CN(c4ccccc4)C[C@@H]3C2)c(F)c1 ZINC000610476257 460160099 /nfs/dbraw/zinc/16/00/99/460160099.db2.gz RNHZDXMUXLLQOY-HOTGVXAUSA-N 1 0 341.386 3.302 20 5 EGBDRO COc1ccccc1[C@H]1CCCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000610485077 460163133 /nfs/dbraw/zinc/16/31/33/460163133.db2.gz LKJLYHNVUQSJEV-OAHLLOKOSA-N 1 0 330.388 3.027 20 5 EGBDRO O=C1Nc2ccccc2[C@@]12CC[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C2 ZINC000614660638 460196568 /nfs/dbraw/zinc/19/65/68/460196568.db2.gz YTJROTHCFOGJBW-BPJPHKDRSA-N 1 0 349.390 3.204 20 5 EGBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCCC(F)(F)CC1 ZINC000599552223 460273085 /nfs/dbraw/zinc/27/30/85/460273085.db2.gz YFPRUDCBBARPAF-NSHDSACASA-N 1 0 327.331 3.043 20 5 EGBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCCC(F)(F)CC1 ZINC000599552222 460273200 /nfs/dbraw/zinc/27/32/00/460273200.db2.gz YFPRUDCBBARPAF-LLVKDONJSA-N 1 0 327.331 3.043 20 5 EGBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000615243504 460298629 /nfs/dbraw/zinc/29/86/29/460298629.db2.gz YNJXUJQASOMHCK-HNNXBMFYSA-N 1 0 333.432 3.322 20 5 EGBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](C3CCOCC3)CC2)c(Cl)c1 ZINC000603407917 460299514 /nfs/dbraw/zinc/29/95/14/460299514.db2.gz JDMHZTWLIUKLAO-UHFFFAOYSA-N 1 0 339.823 3.304 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CC1(CO)CCCCC1)C1CC1 ZINC000611336552 460338494 /nfs/dbraw/zinc/33/84/94/460338494.db2.gz QQJBNBJSTIHUJT-KRWDZBQOSA-N 1 0 332.444 3.448 20 5 EGBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)c1 ZINC000611350473 460342812 /nfs/dbraw/zinc/34/28/12/460342812.db2.gz NMLMXFBJMBKJQU-JKSUJKDBSA-N 1 0 334.416 3.112 20 5 EGBDRO C[N@H+](CCOc1ccc(F)cc1)CCOc1ccccc1[N+](=O)[O-] ZINC000603836701 460344923 /nfs/dbraw/zinc/34/49/23/460344923.db2.gz GFNZVHDOJXFQNC-UHFFFAOYSA-N 1 0 334.347 3.124 20 5 EGBDRO COc1ccc([C@H](CNc2cccnc2[N+](=O)[O-])[NH+]2CCCC2)cc1 ZINC000603837347 460345876 /nfs/dbraw/zinc/34/58/76/460345876.db2.gz LCCTULJTLQNUSI-KRWDZBQOSA-N 1 0 342.399 3.247 20 5 EGBDRO Cc1ccccc1C[N@@H+]1CCCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000603850471 460347589 /nfs/dbraw/zinc/34/75/89/460347589.db2.gz INZDBEGQJGRSMP-UHFFFAOYSA-N 1 0 326.400 3.011 20 5 EGBDRO Cc1c(C[NH+]2C[C@H]3CN(c4ccccc4)C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000603864379 460350637 /nfs/dbraw/zinc/35/06/37/460350637.db2.gz BPUIQROFXQYRKD-ROUUACIJSA-N 1 0 337.423 3.471 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C1CCN(CC(F)F)CC1 ZINC000615720650 460381297 /nfs/dbraw/zinc/38/12/97/460381297.db2.gz FFFGJISTEOJAQD-LCYFTJDESA-N 1 0 339.386 3.317 20 5 EGBDRO CN(c1ccccc1)c1ccc(C[NH2+]C[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000604419103 460424352 /nfs/dbraw/zinc/42/43/52/460424352.db2.gz HLCOWDYFDCKAQK-MRXNPFEDSA-N 1 0 341.411 3.489 20 5 EGBDRO C[C@@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccsc1 ZINC000619746427 460429577 /nfs/dbraw/zinc/42/95/77/460429577.db2.gz UPKWWIIGHYUSKQ-IAQYHMDHSA-N 1 0 331.397 3.112 20 5 EGBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)Nc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611708259 460435059 /nfs/dbraw/zinc/43/50/59/460435059.db2.gz LSDHCODUXWNTLN-STQMWFEESA-N 1 0 329.404 3.070 20 5 EGBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000616119280 460477161 /nfs/dbraw/zinc/47/71/61/460477161.db2.gz XTARVDYTTXZQAT-CQSZACIVSA-N 1 0 334.420 3.208 20 5 EGBDRO C[C@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@H](O)C(F)(F)F ZINC000601151155 460733394 /nfs/dbraw/zinc/73/33/94/460733394.db2.gz QKLTULZEVUMSDG-XPTSAGLGSA-N 1 0 344.289 3.256 20 5 EGBDRO CCOc1cc(C[NH2+][C@H](CO)[C@@H](C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000617221172 460778309 /nfs/dbraw/zinc/77/83/09/460778309.db2.gz CTFJNUTUZCASAQ-WMLDXEAASA-N 1 0 344.411 3.248 20 5 EGBDRO Cc1ncc([C@H](C)[NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)s1 ZINC000601298351 460779618 /nfs/dbraw/zinc/77/96/18/460779618.db2.gz MWFASDHKVNOPOU-QWRGUYRKSA-N 1 0 348.428 3.428 20 5 EGBDRO C[C@H](C(=O)N1CC[NH+](C2CCCCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000617750215 460965546 /nfs/dbraw/zinc/96/55/46/460965546.db2.gz NIEOMSVITKCFKO-HNNXBMFYSA-N 1 0 345.443 3.175 20 5 EGBDRO COc1cc(C[N@H+](C)C(C)C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000158719564 533781529 /nfs/dbraw/zinc/78/15/29/533781529.db2.gz QKZOHNVNQPORLZ-UHFFFAOYSA-N 1 0 336.310 3.385 20 5 EGBDRO C[C@H](CNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)[NH+]1CCC(C)CC1 ZINC000067706686 524422110 /nfs/dbraw/zinc/42/21/10/524422110.db2.gz LYWQHKAOJNGJJO-CABCVRRESA-N 1 0 348.447 3.075 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@@H](O)c1ccccc1F)C1CC1 ZINC000130309975 534887970 /nfs/dbraw/zinc/88/79/70/534887970.db2.gz PCICEOFJIAGHJG-PKOBYXMFSA-N 1 0 344.386 3.378 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@@H]1c2ccccc2C[C@@H]1O)C1CC1 ZINC000178569242 534887701 /nfs/dbraw/zinc/88/77/01/534887701.db2.gz HINMKLVXMMOXSN-YSIASYRMSA-N 1 0 338.407 3.164 20 5 EGBDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000134885323 527870945 /nfs/dbraw/zinc/87/09/45/527870945.db2.gz AQDUBCDAXRRPFW-JLJPHGGASA-N 1 0 334.416 3.095 20 5 EGBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H](O)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000153626203 528595858 /nfs/dbraw/zinc/59/58/58/528595858.db2.gz XJQCEHYOCDZTDA-RHSMWYFYSA-N 1 0 344.411 3.248 20 5 EGBDRO CCOc1ccc([C@H](C)[NH2+]CC[S@@](=O)C(C)(C)C)cc1[N+](=O)[O-] ZINC000153845068 528606987 /nfs/dbraw/zinc/60/69/87/528606987.db2.gz MLLQDTPSRAMLPV-MYODQAERSA-N 1 0 342.461 3.191 20 5 EGBDRO CC(C)[NH+](CCNC(=O)c1cccc(Cl)c1[N+](=O)[O-])C(C)C ZINC000175085089 528905885 /nfs/dbraw/zinc/90/58/85/528905885.db2.gz GAMLKYNUBURHBI-UHFFFAOYSA-N 1 0 327.812 3.097 20 5 EGBDRO CC[C@@H]([NH2+][C@H](C)C(=O)NCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000178669615 529204913 /nfs/dbraw/zinc/20/49/13/529204913.db2.gz FSJGWEWQMPIPKJ-RDTXWAMCSA-N 1 0 341.411 3.340 20 5 EGBDRO C[C@@H]([NH2+]CC(=O)N(C)C1CCC(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000180450685 547056682 /nfs/dbraw/zinc/05/66/82/547056682.db2.gz JENNURCDKRVXSQ-NPCAHTBFSA-N 1 0 333.432 3.283 20 5 EGBDRO O=C(Nc1cnccc1-n1cccn1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000730088886 574919038 /nfs/dbraw/zinc/91/90/38/574919038.db2.gz KYYFVBFKRNNZJQ-UHFFFAOYSA-N 1 0 343.730 3.081 20 5 EGBDRO CC(C)Oc1ccccc1C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000731678060 575199448 /nfs/dbraw/zinc/19/94/48/575199448.db2.gz GAJVCZOOIZKCJG-QGZVFWFLSA-N 1 0 330.384 3.205 20 5 EGBDRO O=[N+]([O-])c1cc(C[NH2+][C@H](CO)C2CC2)ccc1Oc1ccc(F)cc1 ZINC000734160439 575449596 /nfs/dbraw/zinc/44/95/96/575449596.db2.gz AEFGGNCDFCUPDJ-MRXNPFEDSA-N 1 0 346.358 3.387 20 5 EGBDRO CC[C@H](C(=O)OCc1ccc(Cl)cc1[N+](=O)[O-])[NH+](CC)CC ZINC000741032469 576650364 /nfs/dbraw/zinc/65/03/64/576650364.db2.gz KMRZNRNSTYIBGK-CYBMUJFWSA-N 1 0 328.796 3.412 20 5 EGBDRO CN(C)c1ccc(N2CCC(Nc3cccnc3[N+](=O)[O-])CC2)cc1 ZINC000742417825 576781946 /nfs/dbraw/zinc/78/19/46/576781946.db2.gz VTPXYYAEWKIYKJ-UHFFFAOYSA-N 1 0 341.415 3.137 20 5 EGBDRO COc1ccc(OCC[N@@H+]2CCc3c(C)cccc3C2)c([N+](=O)[O-])c1 ZINC000743846817 576816831 /nfs/dbraw/zinc/81/68/31/576816831.db2.gz QSUVZWMQALUNTD-UHFFFAOYSA-N 1 0 342.395 3.349 20 5 EGBDRO C[C@@H]1CN(c2ncc([N+](=O)[O-])c3ccccc32)CC[N@@H+](C2CC2)C1 ZINC000884517066 1302894196 /nfs/dbraw/zinc/89/41/96/1302894196.db2.gz BRDCKLIIBPVBKM-ZDUSSCGKSA-N 1 0 326.400 3.064 20 5 EGBDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000830585489 1292736873 /nfs/dbraw/zinc/73/68/73/1292736873.db2.gz FSEIDISYMYZIMB-HEQLZXTPSA-N 1 0 337.807 3.353 20 5 EGBDRO C[C@H](CNC(=O)OC(C)(C)C)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000090715554 1292805472 /nfs/dbraw/zinc/80/54/72/1292805472.db2.gz QAMILMXHWOTHOI-STQMWFEESA-N 1 0 337.420 3.406 20 5 EGBDRO Cc1ccc(C[C@@H](CO)[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1C ZINC000834912663 1293175335 /nfs/dbraw/zinc/17/53/35/1293175335.db2.gz SXVMGZIGWFKRJV-PBHICJAKSA-N 1 0 343.427 3.048 20 5 EGBDRO CC(=O)OC1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000127028411 1293550772 /nfs/dbraw/zinc/55/07/72/1293550772.db2.gz XUAAPTYIVDBNQD-UHFFFAOYSA-N 1 0 344.367 3.382 20 5 EGBDRO CC(C)C[C@@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000128764678 1293604423 /nfs/dbraw/zinc/60/44/23/1293604423.db2.gz KHLSYUFBXMQDLC-ZDUSSCGKSA-N 1 0 337.395 3.431 20 5 EGBDRO C[C@@H]1CC[C@@H]([NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@H](C)C1 ZINC000132038002 1293706998 /nfs/dbraw/zinc/70/69/98/1293706998.db2.gz PCUGCXCTYCJJSS-LALPHHSUSA-N 1 0 337.395 3.477 20 5 EGBDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000152536690 1293972809 /nfs/dbraw/zinc/97/28/09/1293972809.db2.gz FBDYQBGMWGTUCE-GFCCVEGCSA-N 1 0 339.823 3.243 20 5 EGBDRO CCOC(=O)CCCC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000172620045 1294440341 /nfs/dbraw/zinc/44/03/41/1294440341.db2.gz QBEFSEYQPUHLGF-UHFFFAOYSA-N 1 0 328.796 3.413 20 5 EGBDRO CC(C)(CNC(=O)c1cccc(Cl)c1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000175014229 1294535282 /nfs/dbraw/zinc/53/52/82/1294535282.db2.gz ANJNRNXGWFXQRB-UHFFFAOYSA-N 1 0 339.823 3.243 20 5 EGBDRO CCOC(=O)N[C@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)CC(C)C ZINC000178643773 1294748849 /nfs/dbraw/zinc/74/88/49/1294748849.db2.gz MXJNERSYNMNZSF-ZFWWWQNUSA-N 1 0 337.420 3.406 20 5 EGBDRO O=[N+]([O-])c1ccc(Br)c(OCCC2CC[NH2+]CC2)c1 ZINC000230804416 1296167992 /nfs/dbraw/zinc/16/79/92/1296167992.db2.gz BQXBLLJQDOKJQI-UHFFFAOYSA-N 1 0 329.194 3.126 20 5 EGBDRO Cc1nn(C[N@@H+]2CC[C@@H](c3ccccc3)[C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000247224715 1296385283 /nfs/dbraw/zinc/38/52/83/1296385283.db2.gz WMRMQJMEESJRHU-SUMWQHHRSA-N 1 0 328.416 3.491 20 5 EGBDRO CC[C@H](C)NC(=O)CC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872029650 1296676068 /nfs/dbraw/zinc/67/60/68/1296676068.db2.gz YXEOFYKJRITPKZ-RYUDHWBXSA-N 1 0 339.461 3.272 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCOC[C@H]1CCOC1 ZINC000872036510 1296687997 /nfs/dbraw/zinc/68/79/97/1296687997.db2.gz SVQGORMUJUTASP-OLZOCXBDSA-N 1 0 340.445 3.020 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)[C@@H](CO)SC ZINC000872038457 1296690159 /nfs/dbraw/zinc/69/01/59/1296690159.db2.gz NUZMVSNHMUREPW-IMSIIYSGSA-N 1 0 330.475 3.080 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCC(=O)NC(C)(C)C ZINC000872046913 1296696064 /nfs/dbraw/zinc/69/60/64/1296696064.db2.gz OAZWLFKVNLFQDW-LLVKDONJSA-N 1 0 339.461 3.272 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)Cc1cnn(C)c1 ZINC000872076666 1296721478 /nfs/dbraw/zinc/72/14/78/1296721478.db2.gz PLBCYLJEGUVQHT-NEPJUHHUSA-N 1 0 334.445 3.332 20 5 EGBDRO CC(C)(C)OC(=O)NC[C@@](C)([NH2+]Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000305217137 1296999517 /nfs/dbraw/zinc/99/95/17/1296999517.db2.gz SABGYXGRLIIQME-GOSISDBHSA-N 1 0 349.431 3.378 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)CNC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000310056289 1297085684 /nfs/dbraw/zinc/08/56/84/1297085684.db2.gz KMZNSIQUKDPWIC-OLZOCXBDSA-N 1 0 337.420 3.467 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H]1CCN(C(=O)C2CCCC2)C1 ZINC000873077663 1297263256 /nfs/dbraw/zinc/26/32/56/1297263256.db2.gz CPIUFIRUEWQUQN-MRXNPFEDSA-N 1 0 345.443 3.092 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]Cc1ccnc(OC(F)F)c1 ZINC000873124838 1297282106 /nfs/dbraw/zinc/28/21/06/1297282106.db2.gz VGDPYUDPKWBCMA-UHFFFAOYSA-N 1 0 337.326 3.498 20 5 EGBDRO CC(C)(CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000874832431 1298114649 /nfs/dbraw/zinc/11/46/49/1298114649.db2.gz FMXCLSPVBGOGOK-UHFFFAOYSA-N 1 0 339.823 3.243 20 5 EGBDRO C[C@@H](CN(C)C(=O)OC(C)(C)C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000701899218 1298190850 /nfs/dbraw/zinc/19/08/50/1298190850.db2.gz PNSLMVFHQPFPSW-JTQLQIEISA-N 1 0 329.422 3.001 20 5 EGBDRO O=[N+]([O-])c1ccc(CCNc2ccc(N3CCC(O)CC3)cc2)cc1 ZINC000876821876 1299014635 /nfs/dbraw/zinc/01/46/35/1299014635.db2.gz QTDAQPHWTIJFLO-UHFFFAOYSA-N 1 0 341.411 3.211 20 5 EGBDRO C[C@H]1CCC[N@@H+]1CCNCc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000877153073 1299185737 /nfs/dbraw/zinc/18/57/37/1299185737.db2.gz FAECTZCCVCKQIW-NSHDSACASA-N 1 0 331.338 3.188 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]Cc2cccc(C(F)(F)F)c2)c1 ZINC000749646821 1299252685 /nfs/dbraw/zinc/25/26/85/1299252685.db2.gz MGBNCDGYXFXUAG-OAHLLOKOSA-N 1 0 340.301 3.437 20 5 EGBDRO Cc1c(C[N@H+]2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000749807520 1299277803 /nfs/dbraw/zinc/27/78/03/1299277803.db2.gz VQJCXQUQTBJSTH-HNNXBMFYSA-N 1 0 349.431 3.344 20 5 EGBDRO Cc1nn(C[N@@H+](C)C[C@H](C)c2ccccc2)c2ncc([N+](=O)[O-])cc12 ZINC000749945289 1299309044 /nfs/dbraw/zinc/30/90/44/1299309044.db2.gz HDMVVFGLHDZVGU-ZDUSSCGKSA-N 1 0 339.399 3.341 20 5 EGBDRO COc1ccc2c(c1)CCC[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000750054896 1299332421 /nfs/dbraw/zinc/33/24/21/1299332421.db2.gz YVYMINZRRDYDFU-LJQANCHMSA-N 1 0 342.395 3.085 20 5 EGBDRO CO[C@@]1(C)C[C@H]([N@H+](C)Cn2ncc3cc([N+](=O)[O-])ccc32)C1(C)C ZINC000751934224 1299656907 /nfs/dbraw/zinc/65/69/07/1299656907.db2.gz OZVFIXHOISAXSA-RDJZCZTQSA-N 1 0 332.404 3.037 20 5 EGBDRO CC[C@H](C)C[N@H+](CC)CN1CCN(c2ccccc2[N+](=O)[O-])C1=O ZINC000752792245 1299795523 /nfs/dbraw/zinc/79/55/23/1299795523.db2.gz LMETXPZHGKYMGH-AWEZNQCLSA-N 1 0 334.420 3.162 20 5 EGBDRO Cc1ccc(C[N@H+]2CCC[C@H](c3nncn3C(C)C)C2)cc1[N+](=O)[O-] ZINC000878280033 1299887565 /nfs/dbraw/zinc/88/75/65/1299887565.db2.gz NGJKWUMNGDCGGX-INIZCTEOSA-N 1 0 343.431 3.455 20 5 EGBDRO CC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878991917 1300305732 /nfs/dbraw/zinc/30/57/32/1300305732.db2.gz GSVCHRIZVZVDKH-YHWZYXNKSA-N 1 0 328.372 3.408 20 5 EGBDRO C[NH+]1CCC([C@H]2CCN(c3nc4ccc([N+](=O)[O-])cc4s3)C2)CC1 ZINC000755918828 1300417193 /nfs/dbraw/zinc/41/71/93/1300417193.db2.gz BNOVDEONAWJLGB-ZDUSSCGKSA-N 1 0 346.456 3.373 20 5 EGBDRO Cc1c([C@@H](C)[NH2+][C@@H](C)CNC(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC000756076230 1300435222 /nfs/dbraw/zinc/43/52/22/1300435222.db2.gz FAYOYPMQSUNFGD-WCQYABFASA-N 1 0 337.420 3.467 20 5 EGBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000879529031 1300583885 /nfs/dbraw/zinc/58/38/85/1300583885.db2.gz GYDSHWYRHMRKRM-RWMBFGLXSA-N 1 0 349.818 3.473 20 5 EGBDRO Cc1c(NC(=O)[C@H](C)[N@H+]2C[C@@H]3CC=CC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000879529005 1300584303 /nfs/dbraw/zinc/58/43/03/1300584303.db2.gz GFAJDZAQJGYJCH-SOUVJXGZSA-N 1 0 329.400 3.128 20 5 EGBDRO C[C@@H](C(=O)NCc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000757423423 1300670351 /nfs/dbraw/zinc/67/03/51/1300670351.db2.gz DJHCNPLUCLFVCI-TUAOUCFPSA-N 1 0 339.823 3.126 20 5 EGBDRO C[C@@H]1CC[N@H+](CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)CC1(C)C ZINC000758994490 1300994299 /nfs/dbraw/zinc/99/42/99/1300994299.db2.gz VCDXQCIJFQQRGY-CQSZACIVSA-N 1 0 346.431 3.162 20 5 EGBDRO CC[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)[C@@H](CO)c1ccccc1 ZINC000880459088 1301126062 /nfs/dbraw/zinc/12/60/62/1301126062.db2.gz CHEUQKSIYMUERX-KRWDZBQOSA-N 1 0 330.384 3.159 20 5 EGBDRO CCC1(CC)[C@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@H](C)[C@@H]1OC ZINC000759610969 1301128926 /nfs/dbraw/zinc/12/89/26/1301128926.db2.gz JPPPPALHECSVAW-SJWGOKEGSA-N 1 0 336.432 3.058 20 5 EGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCc1ccnn1C ZINC000762779531 1301746453 /nfs/dbraw/zinc/74/64/53/1301746453.db2.gz ZOOQLMKDHQKXGJ-ZDUSSCGKSA-N 1 0 334.445 3.031 20 5 EGBDRO CC(C)(CCC(=O)Nc1ccc(C[NH+]2CCCCC2)cc1)[N+](=O)[O-] ZINC000882951828 1302180957 /nfs/dbraw/zinc/18/09/57/1302180957.db2.gz WOEPBBBBNGIDLB-UHFFFAOYSA-N 1 0 333.432 3.447 20 5 EGBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000765387620 1302259777 /nfs/dbraw/zinc/25/97/77/1302259777.db2.gz XDFZCLMMOHOQRP-WBVHZDCISA-N 1 0 347.459 3.154 20 5 EGBDRO CC(C)[NH2+][C@H]1CCCN(c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000765484165 1302271913 /nfs/dbraw/zinc/27/19/13/1302271913.db2.gz YAUGIEFSPISUNG-LBPRGKRZSA-N 1 0 342.237 3.324 20 5 EGBDRO O=[N+]([O-])c1ccc(Br)cc1N1CC[NH+](C2CCC2)CC1 ZINC000765502856 1302274084 /nfs/dbraw/zinc/27/40/84/1302274084.db2.gz HNMMPFYJGGAVNJ-UHFFFAOYSA-N 1 0 340.221 3.032 20 5 EGBDRO CNc1c(C(=O)Nc2ccc(C[NH+](C)C)c(F)c2)cccc1[N+](=O)[O-] ZINC000765580289 1302286109 /nfs/dbraw/zinc/28/61/09/1302286109.db2.gz PSIQWJNPXKKPOW-UHFFFAOYSA-N 1 0 346.362 3.090 20 5 EGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](O)c1ccco1 ZINC000768092420 1302821368 /nfs/dbraw/zinc/82/13/68/1302821368.db2.gz YBMXYQQEHOVUTD-GXTWGEPZSA-N 1 0 336.413 3.382 20 5 EGBDRO CC(C)[NH2+]C1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000770011044 1303206363 /nfs/dbraw/zinc/20/63/63/1303206363.db2.gz ZPBMNXXNJWWKIF-UHFFFAOYSA-N 1 0 340.811 3.243 20 5 EGBDRO CC(C)[C@H]([NH2+]Cc1cccnc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 ZINC000886104856 1303356341 /nfs/dbraw/zinc/35/63/41/1303356341.db2.gz MHPBAHAZKMZORV-KRWDZBQOSA-N 1 0 343.383 3.248 20 5 EGBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)NC(C)(C)C[NH+](C)C ZINC000888280941 1304097763 /nfs/dbraw/zinc/09/77/63/1304097763.db2.gz HMIQUKPCGKJAMT-UHFFFAOYSA-N 1 0 328.800 3.018 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CC=C(c3ccc(O)cc3)CC2)cc1 ZINC000776274390 1304125219 /nfs/dbraw/zinc/12/52/19/1304125219.db2.gz HIKUFTRXAVZGOG-IBGZPJMESA-N 1 0 340.379 3.123 20 5 EGBDRO C[N@@H+](Cc1ccc(Cl)s1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776272457 1304125648 /nfs/dbraw/zinc/12/56/48/1304125648.db2.gz UARDGVBIDJZJFX-CYBMUJFWSA-N 1 0 326.805 3.475 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCC[C@H]2Cc2ccccc2)cc1 ZINC000776280460 1304127770 /nfs/dbraw/zinc/12/77/70/1304127770.db2.gz ZVVLXANZWTZPLP-OALUTQOASA-N 1 0 326.396 3.335 20 5 EGBDRO COc1ccc([C@H]2CC[N@H+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000776582478 1304175407 /nfs/dbraw/zinc/17/54/07/1304175407.db2.gz UUKVBIFRRYWEGJ-LPHOPBHVSA-N 1 0 342.395 3.126 20 5 EGBDRO COc1ccccc1C[C@H](C)[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776588589 1304176105 /nfs/dbraw/zinc/17/61/05/1304176105.db2.gz MICUMDXGJXDYCJ-KSSFIOAISA-N 1 0 344.411 3.200 20 5 EGBDRO CO[C@@H](C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)C(F)(F)F ZINC000777013799 1304232154 /nfs/dbraw/zinc/23/21/54/1304232154.db2.gz XJYICZLPLKQYPC-JSGCOSHPSA-N 1 0 332.322 3.083 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CCC(F)(F)C3)CC2)cc1 ZINC000777243773 1304274247 /nfs/dbraw/zinc/27/42/47/1304274247.db2.gz YITMZZWWNIBYJL-CYBMUJFWSA-N 1 0 325.359 3.341 20 5 EGBDRO CSC[C@H]1CCC[N@@H+]1Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000777964538 1304374119 /nfs/dbraw/zinc/37/41/19/1304374119.db2.gz RQACWYMGMOPRNM-MRXNPFEDSA-N 1 0 332.429 3.243 20 5 EGBDRO COC(=O)C1=C(C)O[C@H](C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)C1 ZINC000778213864 1304420347 /nfs/dbraw/zinc/42/03/47/1304420347.db2.gz HYDLWAWXBKUKCX-INIZCTEOSA-N 1 0 348.399 3.041 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)c1C ZINC000889766209 1304584871 /nfs/dbraw/zinc/58/48/71/1304584871.db2.gz QDDUDDGZHOSHCF-CQSZACIVSA-N 1 0 333.432 3.014 20 5 EGBDRO CC(C)[C@H]1CCC[N@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000780498192 1304700164 /nfs/dbraw/zinc/70/01/64/1304700164.db2.gz NPRIEQWLCRQQHW-HNNXBMFYSA-N 1 0 329.404 3.179 20 5 EGBDRO Cc1nn(C[N@H+]2C[C@H](C)[C@H]3CCCC[C@@H]32)c2ncc([N+](=O)[O-])cc12 ZINC000782278089 1304946309 /nfs/dbraw/zinc/94/63/09/1304946309.db2.gz SYTIQZRNZMTTGV-PEYYIBSZSA-N 1 0 329.404 3.116 20 5 EGBDRO C[NH+](C)CCc1ccccc1NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000782928234 1305024470 /nfs/dbraw/zinc/02/44/70/1305024470.db2.gz IICQCBSUXZOANF-UHFFFAOYSA-N 1 0 349.337 3.229 20 5 EGBDRO Cc1ccncc1[C@H](C)[NH2+]CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000783003449 1305036030 /nfs/dbraw/zinc/03/60/30/1305036030.db2.gz OMROWGBAQGWBBC-NSHDSACASA-N 1 0 348.790 3.241 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](O)c2cc(F)cc(Cl)c2)c(F)c1 ZINC000785615705 1305394004 /nfs/dbraw/zinc/39/40/04/1305394004.db2.gz OMVNQOFQEWDHLW-OAHLLOKOSA-N 1 0 342.729 3.350 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)ccc1CNc1ccc(N2CCOCC2)cn1 ZINC000892641716 1305485320 /nfs/dbraw/zinc/48/53/20/1305485320.db2.gz UWWJNUDQKCQFIT-UHFFFAOYSA-N 1 0 348.790 3.092 20 5 EGBDRO O=C(OCc1c(F)cccc1[N+](=O)[O-])[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000786893487 1305650414 /nfs/dbraw/zinc/65/04/14/1305650414.db2.gz WLMCZFDVGFMWKO-MRXNPFEDSA-N 1 0 336.363 3.184 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@H](C2OCCO2)C1 ZINC000787406548 1305741909 /nfs/dbraw/zinc/74/19/09/1305741909.db2.gz PXLAHPKUEKJSCT-DKGMDFAASA-N 1 0 332.400 3.083 20 5 EGBDRO COc1ccc(OC)c(CC[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000788567731 1305972212 /nfs/dbraw/zinc/97/22/12/1305972212.db2.gz ARSDQPQPVSYXQX-GFCCVEGCSA-N 1 0 345.399 3.088 20 5 EGBDRO CCO[C@@H](C[NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-])c1ccccc1 ZINC000894069216 1306200731 /nfs/dbraw/zinc/20/07/31/1306200731.db2.gz YGOQDNNWLNJTEF-INIZCTEOSA-N 1 0 346.383 3.176 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@H](CCO)Cc1ccccc1 ZINC000894254407 1306303585 /nfs/dbraw/zinc/30/35/85/1306303585.db2.gz HCKUIMYJBWPCFQ-MRXNPFEDSA-N 1 0 334.803 3.332 20 5 EGBDRO COc1c(O)ccc(CN2CCC[C@H]2c2cccnc2)c1[N+](=O)[O-] ZINC000894447793 1308894368 /nfs/dbraw/zinc/89/43/68/1308894368.db2.gz HGNWTLOEDYRSEF-AWEZNQCLSA-N 1 0 329.356 3.041 20 5 EGBDRO C[S@](=O)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000895327068 1309285058 /nfs/dbraw/zinc/28/50/58/1309285058.db2.gz BPNGYDAIIOYQBG-QRQYBIJMSA-N 1 0 330.837 3.028 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)c1C ZINC000895646770 1309446949 /nfs/dbraw/zinc/44/69/49/1309446949.db2.gz KHQSVRNZLPSLQG-OAHLLOKOSA-N 1 0 347.440 3.306 20 5 EGBDRO C[N@H+](CN1CCN(c2ccccc2[N+](=O)[O-])C1=O)[C@@H]1CCC(C)(C)C1 ZINC000794686778 1309575011 /nfs/dbraw/zinc/57/50/11/1309575011.db2.gz QUNMQTSCOBWOQP-CQSZACIVSA-N 1 0 346.431 3.305 20 5 EGBDRO CC(C)(C(=O)O[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000797233933 1310160121 /nfs/dbraw/zinc/16/01/21/1310160121.db2.gz OILWTZKZVKAEQF-KGLIPLIRSA-N 1 0 332.400 3.042 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](CCO)Cc2ccccc2)c(Cl)c1 ZINC000799348992 1310533577 /nfs/dbraw/zinc/53/35/77/1310533577.db2.gz AWUUHJWSYPKUTR-OAHLLOKOSA-N 1 0 334.803 3.332 20 5 EGBDRO CN(c1cc(N)ccc1[N+](=O)[O-])[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000800856285 1310820313 /nfs/dbraw/zinc/82/03/13/1310820313.db2.gz YTMYOHYLBLJHRG-KRWDZBQOSA-N 1 0 340.427 3.278 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000900382486 1317283622 /nfs/dbraw/zinc/28/36/22/1317283622.db2.gz TZRPCNAWQNWJBN-LBPRGKRZSA-N 1 0 338.839 3.249 20 5 EGBDRO CCCNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000805772513 1317422890 /nfs/dbraw/zinc/42/28/90/1317422890.db2.gz HLIQXWMBZLQHGN-INIZCTEOSA-N 1 0 349.431 3.394 20 5 EGBDRO N[C@@H]1c2ccccc2C[C@H]1[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000902438876 1317579167 /nfs/dbraw/zinc/57/91/67/1317579167.db2.gz OABAQVYIAZSIDE-NLWGTHIKSA-N 1 0 337.423 3.130 20 5 EGBDRO Cc1cc(C(F)(F)F)nn1CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000903163903 1317666327 /nfs/dbraw/zinc/66/63/27/1317666327.db2.gz JGFMQSYEEKFYTM-NSHDSACASA-N 1 0 342.321 3.469 20 5 EGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1nc2c(s1)CCC2 ZINC000903191331 1317670399 /nfs/dbraw/zinc/67/03/99/1317670399.db2.gz TXUDQNMTFQMYSR-JTQLQIEISA-N 1 0 335.404 3.400 20 5 EGBDRO [NH3+]CCN(Cc1cc2cc(F)ccc2o1)c1ccc([N+](=O)[O-])cc1 ZINC000809734781 1317882669 /nfs/dbraw/zinc/88/26/69/1317882669.db2.gz LIULLMOGEAGACT-UHFFFAOYSA-N 1 0 329.331 3.445 20 5 EGBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(Cl)cn1)c1ccc([N+](=O)[O-])cc1 ZINC000905851752 1318006770 /nfs/dbraw/zinc/00/67/70/1318006770.db2.gz COOBPNWMTUGKML-MNOVXSKESA-N 1 0 348.790 3.321 20 5 EGBDRO CC[N@@H+]1CCCN(C(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000910284540 1318595639 /nfs/dbraw/zinc/59/56/39/1318595639.db2.gz QKIMMWOUQCVCRK-AWEZNQCLSA-N 1 0 333.432 3.076 20 5 EGBDRO O=C(CC1=CCCCC1)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001021902299 1318726369 /nfs/dbraw/zinc/72/63/69/1318726369.db2.gz RAIINHKSPUHHAO-CALCHBBNSA-N 1 0 343.427 3.222 20 5 EGBDRO Cc1cscc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001021946856 1318741857 /nfs/dbraw/zinc/74/18/57/1318741857.db2.gz VHLYDXJOHFDFRG-OKILXGFUSA-N 1 0 345.424 3.015 20 5 EGBDRO Cc1cc(C(=O)N2CCCC[C@H]2[C@H](C)C[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000912812788 1318938933 /nfs/dbraw/zinc/93/89/33/1318938933.db2.gz AYHJMXHZDZYZAX-PBHICJAKSA-N 1 0 333.432 3.096 20 5 EGBDRO O=C(OCC[NH+]1CCCCC1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000815510724 1319008024 /nfs/dbraw/zinc/00/80/24/1319008024.db2.gz ITQYAJSXZLLBDO-UHFFFAOYSA-N 1 0 346.305 3.256 20 5 EGBDRO Cc1ncc2c(n1)CCC[C@@H]2[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815581443 1319020702 /nfs/dbraw/zinc/02/07/02/1319020702.db2.gz GLAATWXILBANKN-BONVTDFDSA-N 1 0 327.388 3.004 20 5 EGBDRO C[C@H]([NH2+]CC[C@@H]1COc2ccccc2O1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815597101 1319024297 /nfs/dbraw/zinc/02/42/97/1319024297.db2.gz MKBPFELWRPMSPX-GXTWGEPZSA-N 1 0 343.383 3.058 20 5 EGBDRO C[C@H]([NH2+]C1(c2ccc3c(c2)OCO3)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815608359 1319027361 /nfs/dbraw/zinc/02/73/61/1319027361.db2.gz YPFSAAQNTIKQOU-NSHDSACASA-N 1 0 341.367 3.246 20 5 EGBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)C1CCC=CCC1 ZINC001023099983 1319260637 /nfs/dbraw/zinc/26/06/37/1319260637.db2.gz AGJKMYVNRNFEFL-CALCHBBNSA-N 1 0 343.427 3.078 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC000930316836 1328832331 /nfs/dbraw/zinc/83/23/31/1328832331.db2.gz PIYBMLPEILUATG-UHFFFAOYSA-N 1 0 334.420 3.065 20 5 EGBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000916067473 1319597957 /nfs/dbraw/zinc/59/79/57/1319597957.db2.gz QXQRUEICNNNEPV-OFVOXDDOSA-N 1 0 345.443 3.092 20 5 EGBDRO CCNc1ccc(C(=O)OCC[C@@H]2CCCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000916113763 1319604079 /nfs/dbraw/zinc/60/40/79/1319604079.db2.gz UWANLEWPJMUXIK-AWEZNQCLSA-N 1 0 335.404 3.058 20 5 EGBDRO CC(C)[C@@H](CNC[C@@H](O)c1cccc([N+](=O)[O-])c1)[NH+]1CCCCCC1 ZINC000819018502 1319616883 /nfs/dbraw/zinc/61/68/83/1319616883.db2.gz YPOMSZCQHXEMKY-RTBURBONSA-N 1 0 349.475 3.118 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCCc2c[nH]c3ccccc23)cc1 ZINC000819035315 1319619435 /nfs/dbraw/zinc/61/94/35/1319619435.db2.gz VDHJVWUINTUZKT-LJQANCHMSA-N 1 0 339.395 3.332 20 5 EGBDRO CC[C@@H]1CCCN(C(C)(C)C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819046365 1319622494 /nfs/dbraw/zinc/62/24/94/1319622494.db2.gz MAGHKUOPUNPONF-QAPCUYQASA-N 1 0 349.475 3.118 20 5 EGBDRO CCO[C@@H](CC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000819128758 1319643834 /nfs/dbraw/zinc/64/38/34/1319643834.db2.gz RPWXAVVJVHYUEO-MSOLQXFVSA-N 1 0 336.432 3.203 20 5 EGBDRO CC[C@@H](C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)Oc1ccccc1C ZINC000819135383 1319644616 /nfs/dbraw/zinc/64/46/16/1319644616.db2.gz CJGGFDBQKCDUQK-ZWKOTPCHSA-N 1 0 344.411 3.384 20 5 EGBDRO CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819203757 1319666761 /nfs/dbraw/zinc/66/67/61/1319666761.db2.gz LZKPKJXWRRHYAN-IGNZVWTISA-N 1 0 348.374 3.133 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2CCCOc3c(F)cccc32)cc1 ZINC000819215300 1319671117 /nfs/dbraw/zinc/67/11/17/1319671117.db2.gz XNXXDQMEQPRGBN-IAGOWNOFSA-N 1 0 346.358 3.271 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H]2CCO[C@@H](c3ccccc3)C2)cc1 ZINC000819236127 1319676250 /nfs/dbraw/zinc/67/62/50/1319676250.db2.gz QIPKPNOMBJTVCS-QXAKKESOSA-N 1 0 342.395 3.138 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@H]2CCC3(CCCCC3)O2)cc1 ZINC000819259026 1319681209 /nfs/dbraw/zinc/68/12/09/1319681209.db2.gz DOVNFHVDPFVVLV-IAGOWNOFSA-N 1 0 334.416 3.100 20 5 EGBDRO CCOc1cccc([C@@H]2C[C@H]2[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000819281565 1319688311 /nfs/dbraw/zinc/68/83/11/1319688311.db2.gz KISHYPAVKPBVSO-OTWHNJEPSA-N 1 0 342.395 3.173 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CC[C@@H]2CCc3ccccc32)cc1 ZINC000819339823 1319702205 /nfs/dbraw/zinc/70/22/05/1319702205.db2.gz SUGACEAHTUAOPT-KXBFYZLASA-N 1 0 326.396 3.338 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CC[C@H]2CCc3ccccc32)c1 ZINC000819339206 1319703009 /nfs/dbraw/zinc/70/30/09/1319703009.db2.gz LTEHISJAHOHIDM-BEFAXECRSA-N 1 0 326.396 3.338 20 5 EGBDRO CCCNc1ccc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000819387390 1319715152 /nfs/dbraw/zinc/71/51/52/1319715152.db2.gz KSCFQJUKAPGRHG-SFHVURJKSA-N 1 0 329.400 3.240 20 5 EGBDRO C[C@H]1C[C@H](C)C[NH+](CCCNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000917075254 1319750878 /nfs/dbraw/zinc/75/08/78/1319750878.db2.gz JTJKORCYWRLBRU-STQMWFEESA-N 1 0 336.392 3.283 20 5 EGBDRO Cc1c(C[NH2+]Cc2ccccc2Cn2cccn2)cccc1[N+](=O)[O-] ZINC000917134953 1319761924 /nfs/dbraw/zinc/76/19/24/1319761924.db2.gz LXMXQQBVPBLCCA-UHFFFAOYSA-N 1 0 336.395 3.438 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000820609765 1319921664 /nfs/dbraw/zinc/92/16/64/1319921664.db2.gz UZOFTJYFSLBJLU-UHFFFAOYSA-N 1 0 345.443 3.348 20 5 EGBDRO Cn1cc([C@@H]2C[N@H+](Cc3cc(F)ccc3[N+](=O)[O-])CC2(C)C)cn1 ZINC000821337485 1320007488 /nfs/dbraw/zinc/00/74/88/1320007488.db2.gz VLTLCVAZKRKZFH-HNNXBMFYSA-N 1 0 332.379 3.093 20 5 EGBDRO Cc1c(CC(=O)N2CCCC[C@@H]2[C@@H](C)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000823678329 1320198040 /nfs/dbraw/zinc/19/80/40/1320198040.db2.gz JQFPQAHFUMUSAW-WMLDXEAASA-N 1 0 347.459 3.025 20 5 EGBDRO CCC(C)(C)[NH+]1CCN(C(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000824292124 1320245082 /nfs/dbraw/zinc/24/50/82/1320245082.db2.gz LUQBHIIPIVAFOX-SJORKVTESA-N 1 0 345.443 3.031 20 5 EGBDRO C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC(NC(=O)OC(C)(C)C)C1 ZINC000824733827 1320281557 /nfs/dbraw/zinc/28/15/57/1320281557.db2.gz ZVLSWAIARONGBR-UHFFFAOYSA-N 1 0 335.404 3.082 20 5 EGBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)C[C@@H]1C ZINC000827573652 1320460711 /nfs/dbraw/zinc/46/07/11/1320460711.db2.gz MYVPDMISZRGOKS-RYUDHWBXSA-N 1 0 339.823 3.111 20 5 EGBDRO CC[C@@H](C)[NH+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000836365984 1320478581 /nfs/dbraw/zinc/47/85/81/1320478581.db2.gz JRJIXDNMLMYDHG-LLVKDONJSA-N 1 0 340.811 3.196 20 5 EGBDRO CS[C@@H]1CCN(Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000930609179 1328913337 /nfs/dbraw/zinc/91/33/37/1328913337.db2.gz CJBUEZABKWEWHE-LLVKDONJSA-N 1 0 331.235 3.295 20 5 EGBDRO CC(C)[C@H]1CCC[N@@H+]1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839472880 1320926308 /nfs/dbraw/zinc/92/63/08/1320926308.db2.gz WAVXGIGYMKCCAK-CYBMUJFWSA-N 1 0 325.796 3.307 20 5 EGBDRO CC[C@H]1CCC[C@H]1[NH2+]CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839581832 1320941165 /nfs/dbraw/zinc/94/11/65/1320941165.db2.gz UWLAVWGPDYKTHU-CMPLNLGQSA-N 1 0 325.796 3.355 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](CO)c2ccc(F)cc2)cc1Cl ZINC000840963441 1321188596 /nfs/dbraw/zinc/18/85/96/1321188596.db2.gz NKVJPUIEUWBJPA-CYBMUJFWSA-N 1 0 338.766 3.253 20 5 EGBDRO CCCN(C(=O)Nc1cccc([N+](=O)[O-])c1Cl)C1CC[NH2+]CC1 ZINC000841233255 1321236982 /nfs/dbraw/zinc/23/69/82/1321236982.db2.gz PIBQSZAUXQYWBT-UHFFFAOYSA-N 1 0 340.811 3.244 20 5 EGBDRO CN(C(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(C)(C)C[NH+]1CCCC1 ZINC000841367579 1321265547 /nfs/dbraw/zinc/26/55/47/1321265547.db2.gz VIPCYXAKFOBWHC-UHFFFAOYSA-N 1 0 339.823 3.195 20 5 EGBDRO CC(C)(C)[S@](=O)CC[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000841765216 1321308904 /nfs/dbraw/zinc/30/89/04/1321308904.db2.gz VKNVOHWAMVBPQP-QMHKHESXSA-N 1 0 338.473 3.499 20 5 EGBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)c1nc([C@@H]2CCC[NH2+]C2)no1 ZINC000842663978 1321414744 /nfs/dbraw/zinc/41/47/44/1321414744.db2.gz PTDLPBXSIDENQV-WDEREUQCSA-N 1 0 334.401 3.298 20 5 EGBDRO Cc1c(-c2noc(C[C@H](C)C3CC[NH2+]CC3)n2)cccc1[N+](=O)[O-] ZINC000843238244 1321494370 /nfs/dbraw/zinc/49/43/70/1321494370.db2.gz LSLGDOKUOAZXCL-NSHDSACASA-N 1 0 330.388 3.131 20 5 EGBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000843766348 1321545418 /nfs/dbraw/zinc/54/54/18/1321545418.db2.gz OYHXCJPZCOFUJE-RYUDHWBXSA-N 1 0 337.395 3.035 20 5 EGBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000843766035 1321545462 /nfs/dbraw/zinc/54/54/62/1321545462.db2.gz OYHXCJPZCOFUJE-NEPJUHHUSA-N 1 0 337.395 3.035 20 5 EGBDRO CSC[C@H]1CCC[N@@H+]1Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000848482848 1321964208 /nfs/dbraw/zinc/96/42/08/1321964208.db2.gz WGPKJDQDZOJGRV-CQSZACIVSA-N 1 0 332.429 3.243 20 5 EGBDRO C[C@H]1CCCN(C(=[NH2+])NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000849109501 1322082252 /nfs/dbraw/zinc/08/22/52/1322082252.db2.gz VAGHIDWAFXHBOG-JTQLQIEISA-N 1 0 344.337 3.370 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H](O)c1cccc(F)c1 ZINC000850430289 1322247972 /nfs/dbraw/zinc/24/79/72/1322247972.db2.gz YGAPLCORXOQFDP-BZNIZROVSA-N 1 0 334.347 3.127 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](C)[C@H](O)c1ccccc1 ZINC000850469533 1322254305 /nfs/dbraw/zinc/25/43/05/1322254305.db2.gz RXELHDFCMKFKMB-LXIYXOSZSA-N 1 0 330.384 3.376 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](CCO)Cc1ccccc1 ZINC000850466064 1322254436 /nfs/dbraw/zinc/25/44/36/1322254436.db2.gz BZHBYNXDYUNTOH-GOEBONIOSA-N 1 0 344.411 3.248 20 5 EGBDRO C[C@H]([NH2+]C[C@@H]1CCN1Cc1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850578912 1322272347 /nfs/dbraw/zinc/27/23/47/1322272347.db2.gz QZTSKNOGVWRJER-YOEHRIQHSA-N 1 0 340.427 3.102 20 5 EGBDRO C[C@@H](NC(=O)NCC(C)(C)C[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000922178815 1322472907 /nfs/dbraw/zinc/47/29/07/1322472907.db2.gz RQGNKSOGBAFUKA-CQSZACIVSA-N 1 0 348.447 3.077 20 5 EGBDRO Cc1noc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)c1[N+](=O)[O-] ZINC000851859998 1323104229 /nfs/dbraw/zinc/10/42/29/1323104229.db2.gz DMUJQPNZDSUPTK-GJZGRUSLSA-N 1 0 349.362 3.118 20 5 EGBDRO CC1(C)OC[C@H](CC[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)O1 ZINC000852136350 1323153743 /nfs/dbraw/zinc/15/37/43/1323153743.db2.gz WVSUZYUGGUDOLI-WBVHZDCISA-N 1 0 334.416 3.316 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000931493984 1329130307 /nfs/dbraw/zinc/13/03/07/1329130307.db2.gz BQHXSLQJIRATNW-HNNXBMFYSA-N 1 0 334.420 3.104 20 5 EGBDRO CCCN(CCC[NH+](C)C)C(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000925241211 1325092898 /nfs/dbraw/zinc/09/28/98/1325092898.db2.gz NQQRKSSCBWCGSH-CQSZACIVSA-N 1 0 336.436 3.029 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[NH2+]C1CCN(OCc2ccccc2)CC1 ZINC000925310030 1325120458 /nfs/dbraw/zinc/12/04/58/1325120458.db2.gz JWKXVLAMSUVMQC-UHFFFAOYSA-N 1 0 341.411 3.281 20 5 EGBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000860492057 1329323983 /nfs/dbraw/zinc/32/39/83/1329323983.db2.gz WDFKIWUPFGGOSM-LLVKDONJSA-N 1 0 339.823 3.051 20 5 EGBDRO C[C@@H]([NH2+]Cc1ccc2c(c1)C[C@H](C)O2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000926918676 1327776271 /nfs/dbraw/zinc/77/62/71/1327776271.db2.gz JBXJLUDXSNVLNH-NWDGAFQWSA-N 1 0 327.384 3.351 20 5 EGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@@H]1CCCN1CC(F)(F)F ZINC000926921673 1327777307 /nfs/dbraw/zinc/77/73/07/1327777307.db2.gz GCUSLAFKADSYHH-SMDDNHRTSA-N 1 0 343.349 3.198 20 5 EGBDRO C[NH+](C)[C@@H](CNc1cc(F)c([N+](=O)[O-])cc1CO)c1cccs1 ZINC000865407502 1329692815 /nfs/dbraw/zinc/69/28/15/1329692815.db2.gz YEZRJLRUGWHECJ-AWEZNQCLSA-N 1 0 339.392 3.003 20 5 EGBDRO C[C@H]1CCCC[N@@H+]1CCCCNc1cc(F)c([N+](=O)[O-])cc1CO ZINC000865445148 1329698218 /nfs/dbraw/zinc/69/82/18/1329698218.db2.gz KWAACUWVBDSOPX-ZDUSSCGKSA-N 1 0 339.411 3.293 20 5 EGBDRO O=[N+]([O-])c1ccc(NC2CC[NH+]([C@H]3CCOC3)CC2)c(C(F)F)c1 ZINC000865624681 1329722050 /nfs/dbraw/zinc/72/20/50/1329722050.db2.gz OLPLDZJELGXTFQ-ZDUSSCGKSA-N 1 0 341.358 3.198 20 5 EGBDRO COc1ccc(C)cc1NC(=O)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000932181601 1329791646 /nfs/dbraw/zinc/79/16/46/1329791646.db2.gz WYPYKGVYWWEYMU-CYBMUJFWSA-N 1 0 343.383 3.201 20 5 EGBDRO C[C@@H]([NH2+]CC(=O)N1CCC[C@H]2CCCC[C@@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000932182238 1329791758 /nfs/dbraw/zinc/79/17/58/1329791758.db2.gz KCLCNYCBDMSYNZ-KYJSFNMBSA-N 1 0 345.443 3.427 20 5 EGBDRO Cc1noc(C[C@H]2CCC[N@@H+]([C@@H](C)c3ccccc3[N+](=O)[O-])C2)n1 ZINC000933575886 1329902830 /nfs/dbraw/zinc/90/28/30/1329902830.db2.gz ODFZEMHAFGZGGC-GXTWGEPZSA-N 1 0 330.388 3.302 20 5 EGBDRO O=C(CC[NH2+][C@H](c1ccncc1)C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000934691603 1330000228 /nfs/dbraw/zinc/00/02/28/1330000228.db2.gz LIVJEEBRTSVLKR-SFHVURJKSA-N 1 0 340.383 3.059 20 5 EGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H](CCO)c1ccccc1 ZINC000866271730 1330088492 /nfs/dbraw/zinc/08/84/92/1330088492.db2.gz PAZSADSDKHEVSE-PBHICJAKSA-N 1 0 346.402 3.421 20 5 EGBDRO Cc1nccn1CCCC[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866272024 1330088606 /nfs/dbraw/zinc/08/86/06/1330088606.db2.gz IKFGOZFCPKJPII-CYBMUJFWSA-N 1 0 334.395 3.240 20 5 EGBDRO Cc1ccccc1[C@@H](CO)[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866278375 1330089523 /nfs/dbraw/zinc/08/95/23/1330089523.db2.gz YKCZPJITSXHXLQ-CXAGYDPISA-N 1 0 332.375 3.297 20 5 EGBDRO CC(C)C[C@H](CCO)C[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866275719 1330089660 /nfs/dbraw/zinc/08/96/60/1330089660.db2.gz FQBHWTQIIXGBHU-KGLIPLIRSA-N 1 0 326.412 3.299 20 5 EGBDRO Cc1cccc([C@H](O)C[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])c1 ZINC000866307323 1330093961 /nfs/dbraw/zinc/09/39/61/1330093961.db2.gz YAFMLGQWFXJDIO-SCLBCKFNSA-N 1 0 332.375 3.297 20 5 EGBDRO CC(C)c1nnc([C@H](C)[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])[nH]1 ZINC000866312593 1330094873 /nfs/dbraw/zinc/09/48/73/1330094873.db2.gz OTRGMWXOBDCWPJ-QWRGUYRKSA-N 1 0 335.383 3.257 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000935979016 1330101875 /nfs/dbraw/zinc/10/18/75/1330101875.db2.gz YFPDCHHRZZVWHZ-WFASDCNBSA-N 1 0 349.456 3.016 20 5 EGBDRO C[C@@H](C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)CC1(C)OCCO1 ZINC000866425778 1330110384 /nfs/dbraw/zinc/11/03/84/1330110384.db2.gz NXYKZQMGAIHRHE-RHSMWYFYSA-N 1 0 348.443 3.295 20 5 EGBDRO Cc1cc([C@H](C)NC(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)c(C)s1 ZINC000867957431 1330233343 /nfs/dbraw/zinc/23/33/43/1330233343.db2.gz MMBCBCNIPLPWDD-APPDUMDISA-N 1 0 347.440 3.324 20 5 EGBDRO CN(C(=O)C(C)(C)C)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001006327792 1336490024 /nfs/dbraw/zinc/49/00/24/1336490024.db2.gz XXEKXFZPJHDIJF-UHFFFAOYSA-N 1 0 333.432 3.064 20 5 EGBDRO CCc1c(Cl)cc([N+](=O)[O-])c(O[C@@H]2C[C@H]3C[NH2+]C[C@H]32)c1Cl ZINC001218325974 1373596841 /nfs/dbraw/zinc/59/68/41/1373596841.db2.gz NKJCIVZIHIHVMT-LPBBDHJYSA-N 1 0 331.199 3.451 20 5 EGBDRO Cc1cncc([N+](=O)[O-])c1N1CCN(C/C=C/c2ccccc2)CC1 ZINC001323058722 1387278015 /nfs/dbraw/zinc/27/80/15/1387278015.db2.gz ACQLZYQCUKZSJS-VMPITWQZSA-N 1 0 338.411 3.134 20 5 EGBDRO Cc1c(C(=O)OCc2ccc([N+](=O)[O-])cc2F)ccc2c[nH+]cn21 ZINC001323878485 1387488863 /nfs/dbraw/zinc/48/88/63/1387488863.db2.gz VEUDECITSXEQOU-UHFFFAOYSA-N 1 0 329.287 3.047 20 5 EGBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001325531493 1387998343 /nfs/dbraw/zinc/99/83/43/1387998343.db2.gz XEUBEKCLTOKUOY-NJAFHUGGSA-N 1 0 347.459 3.153 20 5 EGBDRO Cc1ccc(CC2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC001116541068 1370933066 /nfs/dbraw/zinc/93/30/66/1370933066.db2.gz WQMHFUVJRBTJGG-UHFFFAOYSA-N 1 0 328.416 3.054 20 5 EGBDRO CC(C)(C)[N@@H+]1CC[C@H](Nc2ncnc3c(Cl)cc([N+](=O)[O-])cc23)C1 ZINC001118597555 1371204379 /nfs/dbraw/zinc/20/43/79/1371204379.db2.gz OIZTYFARLXXAJU-JTQLQIEISA-N 1 0 349.822 3.476 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(-c2nc([C@H]3C[NH+]4CCC3CC4)no2)c1C ZINC001119519642 1371361137 /nfs/dbraw/zinc/36/11/37/1371361137.db2.gz RGORGUQRBRDYES-ZDUSSCGKSA-N 1 0 328.372 3.071 20 5 EGBDRO C[NH+]1CCN(Cc2cccc(Nc3cccc([N+](=O)[O-])c3F)c2)CC1 ZINC001210384266 1372339158 /nfs/dbraw/zinc/33/91/58/1372339158.db2.gz JTQGIIHUETXHNR-UHFFFAOYSA-N 1 0 344.390 3.225 20 5 EGBDRO C[NH+](C)Cc1ccc(-c2noc(-c3csc([N+](=O)[O-])c3)n2)cc1 ZINC001212970567 1372808055 /nfs/dbraw/zinc/80/80/55/1372808055.db2.gz WMAZZCJTPCXWTI-UHFFFAOYSA-N 1 0 330.369 3.435 20 5 EGBDRO Cc1c(Cl)cccc1C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001127876268 1373194145 /nfs/dbraw/zinc/19/41/45/1373194145.db2.gz XLBYSYPHSQSXBB-UHFFFAOYSA-N 1 0 347.802 3.076 20 5 EGBDRO CC(C)c1ccccc1C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001128865153 1373317812 /nfs/dbraw/zinc/31/78/12/1373317812.db2.gz UMDRDAVOVQQCPK-UHFFFAOYSA-N 1 0 341.411 3.238 20 5 EGBDRO Cc1cc(O[C@@H]2CCC[NH2+]C[C@@H]2F)c([N+](=O)[O-])cc1Br ZINC001217950109 1373516987 /nfs/dbraw/zinc/51/69/87/1373516987.db2.gz OYJVMPULOFUYDR-CMPLNLGQSA-N 1 0 347.184 3.135 20 5 EGBDRO O=c1c2ccc(O)cc2oc2cc(O[C@@H]3CCC[NH2+]C[C@@H]3F)ccc12 ZINC001217952622 1373517513 /nfs/dbraw/zinc/51/75/13/1373517513.db2.gz VHUDVMKGIZRAHM-JKSUJKDBSA-N 1 0 343.354 3.121 20 5 EGBDRO CC(C)(C)OC(=O)c1ccc([N+](=O)[O-])c(O[C@@H]2CCCC[NH2+]C2)c1 ZINC001217978045 1373524251 /nfs/dbraw/zinc/52/42/51/1373524251.db2.gz XWYYZMBXBVNZAW-CYBMUJFWSA-N 1 0 336.388 3.071 20 5 EGBDRO C[C@H]1C[NH2+]CCC[C@H]1Oc1c(Br)cccc1[N+](=O)[O-] ZINC001217988147 1373527880 /nfs/dbraw/zinc/52/78/80/1373527880.db2.gz OYUJUVFYTDDCLH-JOYOIKCWSA-N 1 0 329.194 3.124 20 5 EGBDRO O=[N+]([O-])c1cc(F)c(Br)c(O[C@@H]2CCC[NH2+]CC2)c1 ZINC001218001831 1373531446 /nfs/dbraw/zinc/53/14/46/1373531446.db2.gz YODAKUXOEZMEJB-SECBINFHSA-N 1 0 333.157 3.017 20 5 EGBDRO C[C@H]1CC[NH2+]CC[C@H]1Oc1c(Br)c(F)ccc1[N+](=O)[O-] ZINC001218028113 1373542184 /nfs/dbraw/zinc/54/21/84/1373542184.db2.gz CTBYJNYSEZPAMB-GZMMTYOYSA-N 1 0 347.184 3.263 20 5 EGBDRO C[C@@H]1CC[NH2+]CC[C@H]1Oc1cnc2ccc(=O)n3c4ccccc4c1c23 ZINC001218035607 1373544131 /nfs/dbraw/zinc/54/41/31/1373544131.db2.gz ZRLURIPNWMVSJU-CXAGYDPISA-N 1 0 347.418 3.206 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2cccc(OC[C@H]3CCC4(C[NH2+]C4)O3)c2)c1 ZINC001218073532 1373555304 /nfs/dbraw/zinc/55/53/04/1373555304.db2.gz LIQRSZMFLZMZNM-GOSISDBHSA-N 1 0 340.379 3.162 20 5 EGBDRO O=[N+]([O-])c1cc(Br)ccc1O[C@@H]1CCC12CC[NH2+]CC2 ZINC001218079675 1373556499 /nfs/dbraw/zinc/55/64/99/1373556499.db2.gz HVRMXTFCGBTLTO-CYBMUJFWSA-N 1 0 341.205 3.268 20 5 EGBDRO O=[N+]([O-])c1c(Br)cccc1O[C@H]1CCC[C@@]12CC[NH2+]C2 ZINC001218089918 1373557384 /nfs/dbraw/zinc/55/73/84/1373557384.db2.gz HEMFGWQTFIOYNK-JSGCOSHPSA-N 1 0 341.205 3.268 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2cccc(O[C@@H]3CSC4(C[NH2+]C4)C3)c2)c1 ZINC001218100363 1373560517 /nfs/dbraw/zinc/56/05/17/1373560517.db2.gz OSGJVDTZXTXNSK-KRWDZBQOSA-N 1 0 342.420 3.488 20 5 EGBDRO O=[N+]([O-])c1ccc(O[C@@H]2CCC[C@@H]3C[NH2+]C[C@@H]32)c(Br)c1 ZINC001218144462 1373568567 /nfs/dbraw/zinc/56/85/67/1373568567.db2.gz SYCGYNMBONHTBR-SUZMYJTESA-N 1 0 341.205 3.124 20 5 EGBDRO CCC(C)(C)c1cc([N+](=O)[O-])c(O[C@H]2C[C@H]3C[C@@H]2C[NH2+]3)c([N+](=O)[O-])c1 ZINC001218143768 1373568721 /nfs/dbraw/zinc/56/87/21/1373568721.db2.gz XDKIHFNWCRKWFY-HCKVZZMMSA-N 1 0 349.387 3.320 20 5 EGBDRO Cc1cc(Br)c(O[C@@H]2CCC3(C[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC001218239943 1373581886 /nfs/dbraw/zinc/58/18/86/1373581886.db2.gz XLJSNEONKKIZSJ-SNVBAGLBSA-N 1 0 341.205 3.187 20 5 EGBDRO Cc1cc(Br)c(O[C@H]2C[C@H]3[NH2+]CC[C@H]3C2)cc1[N+](=O)[O-] ZINC001218248136 1373583038 /nfs/dbraw/zinc/58/30/38/1373583038.db2.gz DJNZNCVHYWTSKP-HOSYDEDBSA-N 1 0 341.205 3.185 20 5 EGBDRO CCc1c(Cl)cc([N+](=O)[O-])c(OC[C@H]2C[NH2+]CCCO2)c1Cl ZINC001218299560 1373590314 /nfs/dbraw/zinc/59/03/14/1373590314.db2.gz JBLKXWKGHHRRAM-SECBINFHSA-N 1 0 349.214 3.221 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(OC[C@@H]3C[NH2+]CCCO3)cc2)cc1 ZINC001218299381 1373590451 /nfs/dbraw/zinc/59/04/51/1373590451.db2.gz CPKJSGADPZCRDJ-SFHVURJKSA-N 1 0 328.368 3.019 20 5 EGBDRO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1Oc1cccnc1[N+](=O)[O-] ZINC001225628262 1375134705 /nfs/dbraw/zinc/13/47/05/1375134705.db2.gz GDZISIJOJZIDHK-PBHICJAKSA-N 1 0 327.384 3.279 20 5 EGBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Oc1ncc(F)cc1[N+](=O)[O-] ZINC001226752823 1375325735 /nfs/dbraw/zinc/32/57/35/1375325735.db2.gz BMFVQJGKWPEDGB-LRDDRELGSA-N 1 0 331.347 3.028 20 5 EGBDRO O=[N+]([O-])c1cccc2oc(O[C@H]3CC[N@H+](Cc4ccccc4)C3)nc21 ZINC001227237349 1375410453 /nfs/dbraw/zinc/41/04/53/1375410453.db2.gz TZXACNPAFFRQFC-AWEZNQCLSA-N 1 0 339.351 3.389 20 5 EGBDRO O=[N+]([O-])c1cc2c(cc1Cl)ncnc2OC1CC[NH+](C2CC2)CC1 ZINC001227363980 1375422740 /nfs/dbraw/zinc/42/27/40/1375422740.db2.gz KCONMUXCRDTMNQ-UHFFFAOYSA-N 1 0 348.790 3.197 20 5 EGBDRO CC(C)[N@@H+]1CC[C@@H](Oc2ccc(OC(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001227604900 1375451898 /nfs/dbraw/zinc/45/18/98/1375451898.db2.gz ZZLLRJJJNVBZKA-LLVKDONJSA-N 1 0 334.294 3.355 20 5 EGBDRO O=[N+]([O-])c1cncc(O[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC001227990739 1375499546 /nfs/dbraw/zinc/49/95/46/1375499546.db2.gz PSYMJHYREPFUTC-KFKAGJAMSA-N 1 0 339.395 3.279 20 5 EGBDRO Cc1cc(F)cc([N+](=O)[O-])c1OC1CCN(c2cc[nH+]cc2)CC1 ZINC001229197207 1375784952 /nfs/dbraw/zinc/78/49/52/1375784952.db2.gz DFETYELNWTVBHF-UHFFFAOYSA-N 1 0 331.347 3.485 20 5 EGBDRO OC[C@@H]1C[N@H+](Cc2c3ccccc3c3cc4ccccc4oc2-3)C[C@H]1O ZINC001231817967 1376320036 /nfs/dbraw/zinc/32/00/36/1376320036.db2.gz JOWJZYGSUWMSMG-MGPUTAFESA-N 1 0 347.414 3.476 20 5 EGBDRO COC(=O)CC[N@H+](Cc1ccc2ccc3cccnc3c2n1)C1CC1 ZINC001232228982 1376419492 /nfs/dbraw/zinc/41/94/92/1376419492.db2.gz WQUXDBVKZBKRGK-UHFFFAOYSA-N 1 0 335.407 3.311 20 5 EGBDRO CC[N@@H+]1CC[C@@H](Oc2cc(C(=O)OC(C)(C)C)ccc2[N+](=O)[O-])C1 ZINC001233529440 1376661867 /nfs/dbraw/zinc/66/18/67/1376661867.db2.gz WNMXCKWHYHVIFH-CYBMUJFWSA-N 1 0 336.388 3.023 20 5 EGBDRO Cc1cc(OC(=O)C[C@@H](O)C[N+](C)(C)C)cc(C)c1-c1ccccc1 ZINC001234292558 1376801466 /nfs/dbraw/zinc/80/14/66/1376801466.db2.gz BLOXDIDXDAVIAA-GOSISDBHSA-N 1 0 342.459 3.333 20 5 EGBDRO CC1(C)C2CCC1(C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-])CC2 ZINC001134987188 1376829389 /nfs/dbraw/zinc/82/93/89/1376829389.db2.gz IRUWYIWAFRBPGE-UHFFFAOYSA-N 1 0 345.443 3.017 20 5 EGBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C)cc(C[NH+](C)C)c1 ZINC001253719487 1377098828 /nfs/dbraw/zinc/09/88/28/1377098828.db2.gz YEMGTGQFCVETFN-UHFFFAOYSA-N 1 0 342.399 3.259 20 5 EGBDRO CCCCCC(=O)N1CC2(C1)CC[N@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC001147010245 1378955820 /nfs/dbraw/zinc/95/58/20/1378955820.db2.gz YAUCWIBFKPFULI-UHFFFAOYSA-N 1 0 345.443 3.209 20 5 EGBDRO O=C(CCCC1CCCC1)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001152684388 1379970306 /nfs/dbraw/zinc/97/03/06/1379970306.db2.gz NKTIQTVBDOYHDL-UHFFFAOYSA-N 1 0 333.432 3.161 20 5 EGBDRO C[C@H]1C[NH2+]CCC[C@@H]1CNc1ccc(-c2ccc([N+](=O)[O-])cc2)nn1 ZINC001155028463 1380394392 /nfs/dbraw/zinc/39/43/92/1380394392.db2.gz ADYOGDLAMBWQKR-DZGCQCFKSA-N 1 0 341.415 3.099 20 5 EGBDRO O=[N+]([O-])c1cccc2ccc(N3CC[NH2+]C[C@@H]3c3cccs3)nc21 ZINC001156097014 1380524637 /nfs/dbraw/zinc/52/46/37/1380524637.db2.gz FDNDFAIWHNQMEY-CQSZACIVSA-N 1 0 340.408 3.355 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)cc(-n2cncc2C[NH2+]Cc2ccccc2)n1 ZINC001156481975 1380581999 /nfs/dbraw/zinc/58/19/99/1380581999.db2.gz BBBZKCQNUPNWJS-UHFFFAOYSA-N 1 0 343.774 3.119 20 5 EGBDRO O=[N+]([O-])c1cnc(-n2cncc2C[NH2+]Cc2ccccc2)c(Cl)c1 ZINC001156482499 1380582036 /nfs/dbraw/zinc/58/20/36/1380582036.db2.gz OIBNHMOYZNZBTJ-UHFFFAOYSA-N 1 0 343.774 3.119 20 5 EGBDRO CCC[NH+]1C[C@H]2CN(c3nc(Cl)c(Cl)cc3[N+](=O)[O-])C[C@@H]2C1 ZINC001157689662 1381002666 /nfs/dbraw/zinc/00/26/66/1381002666.db2.gz IHNYUECWLGOIMF-UWVGGRQHSA-N 1 0 345.230 3.075 20 5 EGBDRO [NH3+]CCN(c1cccnc1)c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC001158008002 1381101679 /nfs/dbraw/zinc/10/16/79/1381101679.db2.gz YCJSWDTWMBAETA-UHFFFAOYSA-N 1 0 335.367 3.149 20 5 EGBDRO CC(C)N(c1ccc([N+](=O)[O-])c(-c2ccccc2)n1)[C@H]1CC[NH2+]C1 ZINC001158035735 1381109006 /nfs/dbraw/zinc/10/90/06/1381109006.db2.gz XOOHIHWDSCBQBF-HNNXBMFYSA-N 1 0 326.400 3.234 20 5 EGBDRO C[C@@]1(C[NH3+])CCCN(c2ccc3c(ccc(Cl)c3[N+](=O)[O-])n2)C1 ZINC001158678727 1381348221 /nfs/dbraw/zinc/34/82/21/1381348221.db2.gz MQEFVSJYBHOTNU-INIZCTEOSA-N 1 0 334.807 3.362 20 5 EGBDRO Cc1cc(C)c(C(=O)NCCC[NH2+]Cc2ccccc2[N+](=O)[O-])s1 ZINC001158945165 1381478635 /nfs/dbraw/zinc/47/86/35/1381478635.db2.gz JEDNAYLQTUYPGU-UHFFFAOYSA-N 1 0 347.440 3.183 20 5 EGBDRO CCOC(=O)c1c2c(sc1Nc1cccc([N+](=O)[O-])c1)C[NH2+]CC2 ZINC001159208130 1381730874 /nfs/dbraw/zinc/73/08/74/1381730874.db2.gz FIJHIRKZEDTWNT-UHFFFAOYSA-N 1 0 347.396 3.222 20 5 EGBDRO O=[N+]([O-])c1cc(F)cc(Nc2cccnc2OC2CC[NH2+]CC2)c1 ZINC001159248682 1381743198 /nfs/dbraw/zinc/74/31/98/1381743198.db2.gz UKXLPMOSYUIXQU-UHFFFAOYSA-N 1 0 332.335 3.003 20 5 EGBDRO CCOC(=O)c1cc(Nc2cccc3c2CC[NH2+]C3)cc([N+](=O)[O-])c1 ZINC001159547998 1381825728 /nfs/dbraw/zinc/82/57/28/1381825728.db2.gz PICRKZPVGMNKHN-UHFFFAOYSA-N 1 0 341.367 3.161 20 5 EGBDRO [NH3+][C@H]1CCCN(c2ccccc2Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC001159983710 1381958355 /nfs/dbraw/zinc/95/83/55/1381958355.db2.gz ZWVZZGYBBFRFGW-ZDUSSCGKSA-N 1 0 330.363 3.405 20 5 EGBDRO O=[N+]([O-])c1cc(Nc2cc(F)ccc2N2CC[NH2+]CC2)ccc1F ZINC001160046676 1381979610 /nfs/dbraw/zinc/97/96/10/1381979610.db2.gz UZYHKOFSEAPTNG-UHFFFAOYSA-N 1 0 334.326 3.026 20 5 EGBDRO Nc1cc(F)ccc1N(CC1CC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1 ZINC001160092190 1381994738 /nfs/dbraw/zinc/99/47/38/1381994738.db2.gz KOPPDVRAMDAQKP-UHFFFAOYSA-N 1 0 344.390 3.454 20 5 EGBDRO Nc1cccc(F)c1N(CC1CC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1 ZINC001160121930 1382004176 /nfs/dbraw/zinc/00/41/76/1382004176.db2.gz YDYCSXWZQMVMKS-UHFFFAOYSA-N 1 0 344.390 3.454 20 5 EGBDRO COc1ccc(Nc2cc(F)ccc2O[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001160141651 1382013421 /nfs/dbraw/zinc/01/34/21/1382013421.db2.gz JYDIJWSOSRVSSM-CYBMUJFWSA-N 1 0 347.346 3.227 20 5 EGBDRO Cc1cc(Cl)ccc1[C@@H](C)Nc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001161001107 1382267363 /nfs/dbraw/zinc/26/73/63/1382267363.db2.gz NHLOSFXVLKIZAN-SNVBAGLBSA-N 1 0 347.806 3.207 20 5 EGBDRO CSc1nc(Cl)c([N+](=O)[O-])c(Nc2cccc(CC[NH3+])c2)n1 ZINC001161079123 1382292080 /nfs/dbraw/zinc/29/20/80/1382292080.db2.gz VYLSBFNIMPSRAS-UHFFFAOYSA-N 1 0 339.808 3.005 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)ncnc2N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001161186813 1382332516 /nfs/dbraw/zinc/33/25/16/1382332516.db2.gz UNOGKRDYPYKESC-AWEZNQCLSA-N 1 0 341.415 3.214 20 5 EGBDRO C[NH+](C)CCCCNc1ccc(C(=O)OC(C)(C)C)c([N+](=O)[O-])c1 ZINC001161731056 1382490599 /nfs/dbraw/zinc/49/05/99/1382490599.db2.gz YZAWGASHJRXJEY-UHFFFAOYSA-N 1 0 337.420 3.304 20 5 EGBDRO Cc1ccc(-c2ccc(NC3C[NH+](C(C)(C)C)C3)nn2)cc1[N+](=O)[O-] ZINC001162226145 1382661274 /nfs/dbraw/zinc/66/12/74/1382661274.db2.gz PRIWHHPINIFLPY-UHFFFAOYSA-N 1 0 341.415 3.255 20 5 EGBDRO CC[N+](C)(C)Cc1ccccc1NCc1nc(C(=O)OC)cs1 ZINC001162488947 1382771887 /nfs/dbraw/zinc/77/18/87/1382771887.db2.gz HTSIDNIYLVQEQJ-UHFFFAOYSA-N 1 0 334.465 3.138 20 5 EGBDRO [NH3+]Cc1ccc(Nc2ccc(-c3ccccc3[N+](=O)[O-])nn2)cc1F ZINC001162528964 1382781703 /nfs/dbraw/zinc/78/17/03/1382781703.db2.gz RDVTUZWBPOSLEV-UHFFFAOYSA-N 1 0 339.330 3.393 20 5 EGBDRO Cc1c(F)cc([N+](=O)[O-])cc1NCC[C@@H]1C[NH2+]Cc2cccn2C1 ZINC001163066064 1382959452 /nfs/dbraw/zinc/95/94/52/1382959452.db2.gz RLIXOYOGXPLLHE-CYBMUJFWSA-N 1 0 332.379 3.065 20 5 EGBDRO O=C(NCCC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1)C1CCCC1 ZINC001163128267 1382971219 /nfs/dbraw/zinc/97/12/19/1382971219.db2.gz PZDQTAJVYXDLQB-UHFFFAOYSA-N 1 0 345.443 3.161 20 5 EGBDRO CCOC(=O)c1cc(N[C@@H]2C[NH2+]Cc3ccsc32)ccc1[N+](=O)[O-] ZINC001163229135 1383000008 /nfs/dbraw/zinc/00/00/08/1383000008.db2.gz GHDKUVSFFVIJFW-CYBMUJFWSA-N 1 0 347.396 3.089 20 5 EGBDRO O=[N+]([O-])c1cnc(NC[C@@H]2Cc3ccccc3C[NH2+]2)c2ccccc21 ZINC001163272354 1383010035 /nfs/dbraw/zinc/01/00/35/1383010035.db2.gz OHZDQHGDAAGLRN-HNNXBMFYSA-N 1 0 334.379 3.269 20 5 EGBDRO COc1cccc([C@@H](C[NH3+])Nc2nccc3cc([N+](=O)[O-])ccc32)c1 ZINC001163314586 1383019491 /nfs/dbraw/zinc/01/94/91/1383019491.db2.gz WEBGKGDBKWCRFV-QGZVFWFLSA-N 1 0 338.367 3.264 20 5 EGBDRO COc1cccc([C@H](C[NH3+])Nc2nccc3cc([N+](=O)[O-])ccc32)c1 ZINC001163314580 1383019681 /nfs/dbraw/zinc/01/96/81/1383019681.db2.gz WEBGKGDBKWCRFV-KRWDZBQOSA-N 1 0 338.367 3.264 20 5 EGBDRO CC(C)CCC(=O)NCCC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001163324209 1383022454 /nfs/dbraw/zinc/02/24/54/1383022454.db2.gz DIYBJCRMRAQSAD-UHFFFAOYSA-N 1 0 347.459 3.407 20 5 EGBDRO CC(C)[N@@H+]1CC[C@H](Nc2cnc3ccc([N+](=O)[O-])cc3n2)[C@H](C)C1 ZINC001163361978 1383030897 /nfs/dbraw/zinc/03/08/97/1383030897.db2.gz LPZYDAFPZDDXCS-OCCSQVGLSA-N 1 0 329.404 3.069 20 5 EGBDRO CC(C)[N@@H+]1CC[C@@H](Nc2cnc3ccc([N+](=O)[O-])cc3n2)[C@@H](C)C1 ZINC001163361974 1383030958 /nfs/dbraw/zinc/03/09/58/1383030958.db2.gz LPZYDAFPZDDXCS-GXTWGEPZSA-N 1 0 329.404 3.069 20 5 EGBDRO CC[N+](C)(C)Cc1ccccc1NC[C@H](O)COc1ccccc1 ZINC001163812831 1383124926 /nfs/dbraw/zinc/12/49/26/1383124926.db2.gz RBAKVYMXFCZTCK-SFHVURJKSA-N 1 0 329.464 3.135 20 5 EGBDRO C[C@H]1CC[C@H](C[NH3+])N(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)C1 ZINC001164077878 1383153681 /nfs/dbraw/zinc/15/36/81/1383153681.db2.gz KXYZJJTVQAWEKP-SWLSCSKDSA-N 1 0 344.390 3.360 20 5 EGBDRO Cc1cc(N2CCN(c3cc([N+](=O)[O-])ccn3)CC2)c2ccccc2[nH+]1 ZINC001164199985 1383165528 /nfs/dbraw/zinc/16/55/28/1383165528.db2.gz ZBEIZERZSPAUNC-UHFFFAOYSA-N 1 0 349.394 3.173 20 5 EGBDRO CC(C)c1ccoc1C(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001164492199 1383193176 /nfs/dbraw/zinc/19/31/76/1383193176.db2.gz WPOKYBDPHMYUPG-UHFFFAOYSA-N 1 0 345.399 3.221 20 5 EGBDRO O=[N+]([O-])c1cc2ccccc2nc1N1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001164611204 1383208717 /nfs/dbraw/zinc/20/87/17/1383208717.db2.gz CDCNDLOZZLTDNJ-QGZVFWFLSA-N 1 0 348.406 3.164 20 5 EGBDRO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1N(C)c1cc([N+](=O)[O-])ccn1 ZINC001165181512 1383242872 /nfs/dbraw/zinc/24/28/72/1383242872.db2.gz IUJFOWKOWQWVOT-MAUKXSAKSA-N 1 0 340.427 3.337 20 5 EGBDRO C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1c1ncc([N+](=O)[O-])cc1F ZINC001165200807 1383246804 /nfs/dbraw/zinc/24/68/04/1383246804.db2.gz HWOVPEYFYOGJAP-KBPBESRZSA-N 1 0 344.390 3.228 20 5 EGBDRO C[C@@H]1CN(c2ncc(F)cc2[N+](=O)[O-])[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC001165201992 1383247348 /nfs/dbraw/zinc/24/73/48/1383247348.db2.gz QBGNOGPJLUWGFQ-KGLIPLIRSA-N 1 0 344.390 3.228 20 5 EGBDRO C[N@@H+]1CCC[C@@H](CCNc2ncc(F)c3cc([N+](=O)[O-])ccc32)C1 ZINC001165273804 1383264050 /nfs/dbraw/zinc/26/40/50/1383264050.db2.gz WJYLSSXXPAGVOM-LBPRGKRZSA-N 1 0 332.379 3.426 20 5 EGBDRO O=[N+]([O-])c1ccnc(Cl)c1NCC1C[NH+](Cc2ccccc2)C1 ZINC001165426807 1383294077 /nfs/dbraw/zinc/29/40/77/1383294077.db2.gz BZRSKVMBXJQFAB-UHFFFAOYSA-N 1 0 332.791 3.187 20 5 EGBDRO CCCCC1(C(=O)NCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001165896148 1383360388 /nfs/dbraw/zinc/36/03/88/1383360388.db2.gz ZNLPIHWQAZMFQO-UHFFFAOYSA-N 1 0 333.432 3.161 20 5 EGBDRO COc1ncc([N+](=O)[O-])cc1NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC001166901786 1383496755 /nfs/dbraw/zinc/49/67/55/1383496755.db2.gz SPEKOVOYIYCOIJ-QGZVFWFLSA-N 1 0 342.399 3.247 20 5 EGBDRO C[NH2+]Cc1cccc(Nc2nc(Cl)nc(SC)c2[N+](=O)[O-])c1 ZINC001167033828 1383524664 /nfs/dbraw/zinc/52/46/64/1383524664.db2.gz VWJOJUWGPHAYBK-UHFFFAOYSA-N 1 0 339.808 3.223 20 5 EGBDRO Cc1c(C)c(-n2c3ccc(F)cc3c3c2CC[NH2+]C3)ncc1[N+](=O)[O-] ZINC001167087615 1383537450 /nfs/dbraw/zinc/53/74/50/1383537450.db2.gz YWAAGYPUIJANJC-UHFFFAOYSA-N 1 0 340.358 3.335 20 5 EGBDRO Cc1c([N+](=O)[O-])cc(F)cc1-n1cc(CC[NH3+])c2cc(O)ccc21 ZINC001167983474 1383786598 /nfs/dbraw/zinc/78/65/98/1383786598.db2.gz QREOOWPZMCWWIU-UHFFFAOYSA-N 1 0 329.331 3.193 20 5 EGBDRO Cc1ncn(-c2ncnc3cc4ccccc4cc32)c1CSCC[NH3+] ZINC001168787030 1384004594 /nfs/dbraw/zinc/00/45/94/1384004594.db2.gz YWTIXBMOZBHCON-UHFFFAOYSA-N 1 0 349.463 3.469 20 5 EGBDRO N[C@H](c1ccccc1)[C@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccccc1 ZINC001168956862 1384070294 /nfs/dbraw/zinc/07/02/94/1384070294.db2.gz CEUGXWKMYRNYNX-XWPNQZOQSA-N 1 0 339.439 3.463 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2cc(OC(F)(F)F)ccc2F)C1 ZINC001168968806 1384073374 /nfs/dbraw/zinc/07/33/74/1384073374.db2.gz AKYYSPOTQPBUMF-MWLCHTKSSA-N 1 0 336.285 3.259 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2ncc(C(F)(F)F)cc2Cl)C1 ZINC001168968378 1384073657 /nfs/dbraw/zinc/07/36/57/1384073657.db2.gz YILJRGVPBSEADO-SCZZXKLOSA-N 1 0 337.729 3.289 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2ccc(OC(F)(F)F)c(F)c2)C1 ZINC001168974982 1384076219 /nfs/dbraw/zinc/07/62/19/1384076219.db2.gz UDTNUSGGBDNWFZ-QWRGUYRKSA-N 1 0 336.285 3.259 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2ncc(Cl)cc2Br)C1 ZINC001168977479 1384077072 /nfs/dbraw/zinc/07/70/72/1384077072.db2.gz KDDDPIGGCCATSO-SCZZXKLOSA-N 1 0 348.628 3.033 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]C2(c3cccc(Br)c3)CC2)C1 ZINC001168980712 1384077371 /nfs/dbraw/zinc/07/73/71/1384077371.db2.gz FXDRTVQCJAEQLB-SMDDNHRTSA-N 1 0 339.233 3.473 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H](c2ccccc2F)C2CCOCC2)C1 ZINC001168981144 1384077706 /nfs/dbraw/zinc/07/77/06/1384077706.db2.gz GKJQVOLVBBMYFX-DDUZABMNSA-N 1 0 336.407 3.328 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C2(c3ccccc3Br)CC2)C1 ZINC001168985581 1384079084 /nfs/dbraw/zinc/07/90/84/1384079084.db2.gz TVKGFLLGBSSFAT-NEPJUHHUSA-N 1 0 339.233 3.473 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2cn(Cc3ccc(Cl)cc3)cn2)C1 ZINC001168990066 1384079954 /nfs/dbraw/zinc/07/99/54/1384079954.db2.gz BESVZJWDVHNJTI-GOEBONIOSA-N 1 0 348.834 3.120 20 5 EGBDRO COc1ccc2cccc(CC[NH2+][C@@H]3CC[C@@H](C[N+](=O)[O-])C3)c2c1 ZINC001168989819 1384080397 /nfs/dbraw/zinc/08/03/97/1384080397.db2.gz WVHQVQNBGZFXEC-RHSMWYFYSA-N 1 0 328.412 3.426 20 5 EGBDRO Cc1ccc(F)cc1CN1CCC([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168997106 1384081636 /nfs/dbraw/zinc/08/16/36/1384081636.db2.gz XSZVTYUGSZEPRS-KXBFYZLASA-N 1 0 349.450 3.134 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CC2(Cc3ccccc3)CCOCC2)C1 ZINC001168998195 1384083069 /nfs/dbraw/zinc/08/30/69/1384083069.db2.gz JMPYNLAQRCLCSE-MSOLQXFVSA-N 1 0 332.444 3.061 20 5 EGBDRO CC(C)(C)OC(=O)C1(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CCCCC1 ZINC001169002298 1384084026 /nfs/dbraw/zinc/08/40/26/1384084026.db2.gz KHQIGBZIPWZHNR-GJZGRUSLSA-N 1 0 340.464 3.314 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H](N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC001169011272 1384088104 /nfs/dbraw/zinc/08/81/04/1384088104.db2.gz JCPHGMMGSFQYRC-WTGUMLROSA-N 1 0 343.471 3.028 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCN([C@@H]3CCCc4ccccc43)CC2)C1 ZINC001169039981 1384097994 /nfs/dbraw/zinc/09/79/94/1384097994.db2.gz WNQLSJNJFDXYEQ-YVWKXTFCSA-N 1 0 343.471 3.127 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCN(c3cccc4sccc43)CC2)C1 ZINC001169046861 1384100007 /nfs/dbraw/zinc/10/00/07/1384100007.db2.gz NVHSOLDDEJDOCH-CABCVRRESA-N 1 0 345.468 3.469 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2Cc3cnc(-c4ccc(F)cc4)nc3C2)C1 ZINC001169046953 1384100105 /nfs/dbraw/zinc/10/01/05/1384100105.db2.gz PDDQJWBZRAOLNU-BLLLJJGKSA-N 1 0 342.374 3.044 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2Cl)C1 ZINC001169051958 1384101038 /nfs/dbraw/zinc/10/10/38/1384101038.db2.gz DRDSUKDVCMPKCU-XGUBFFRZSA-N 1 0 335.835 3.048 20 5 EGBDRO COC(=O)c1ccc([C@@H]2CCC[N@@H+]2[C@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001169057838 1384101780 /nfs/dbraw/zinc/10/17/80/1384101780.db2.gz XYQPAMUROFLCTP-JQFCIGGWSA-N 1 0 332.400 3.056 20 5 EGBDRO CCC(CC)(CC)C(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001169313866 1384135178 /nfs/dbraw/zinc/13/51/78/1384135178.db2.gz JWTNXXIVLYGUIV-UHFFFAOYSA-N 1 0 335.448 3.407 20 5 EGBDRO COc1cnc(N2CCC[C@@H]([NH3+])c3cc(C)ccc32)cc1[N+](=O)[O-] ZINC001169684436 1384173712 /nfs/dbraw/zinc/17/37/12/1384173712.db2.gz IZILQGANQNLYQH-CYBMUJFWSA-N 1 0 328.372 3.239 20 5 EGBDRO O=[N+]([O-])c1ccc(Sc2ccc(NC[C@@H]3COCC[NH2+]3)cc2)cc1 ZINC001170042506 1384223766 /nfs/dbraw/zinc/22/37/66/1384223766.db2.gz AFJXHQDOTQFNCA-CQSZACIVSA-N 1 0 345.424 3.146 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H]2CCc3cccnc32)c([N+](=O)[O-])c1 ZINC001170305459 1384287141 /nfs/dbraw/zinc/28/71/41/1384287141.db2.gz LGCDUDXKVLCXNT-MLGOLLRUSA-N 1 0 327.384 3.207 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+]CCCc2cccnc2)c([N+](=O)[O-])c1 ZINC001170305535 1384287312 /nfs/dbraw/zinc/28/73/12/1384287312.db2.gz MUVURFOYHRQHJF-AWEZNQCLSA-N 1 0 329.400 3.152 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+][C@H]2COc3ccc(F)cc32)c([N+](=O)[O-])c1 ZINC001170311361 1384287821 /nfs/dbraw/zinc/28/78/21/1384287821.db2.gz AYJXHOMWRLJTFB-BZNIZROVSA-N 1 0 346.358 3.397 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+]CC(=O)c2ccccc2F)c([N+](=O)[O-])c1 ZINC001170311035 1384287874 /nfs/dbraw/zinc/28/78/74/1384287874.db2.gz YSPSZKGGIZQQCX-GFCCVEGCSA-N 1 0 346.358 3.146 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+]C2(C3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC001170309206 1384287962 /nfs/dbraw/zinc/28/79/62/1384287962.db2.gz PHXGJOQYDUKZOR-ZDUSSCGKSA-N 1 0 334.416 3.083 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+][C@](C)(CO)c2ccccc2)c([N+](=O)[O-])c1 ZINC001170317716 1384290031 /nfs/dbraw/zinc/29/00/31/1384290031.db2.gz KDTNNPAMLAYXLE-AUUYWEPGSA-N 1 0 344.411 3.032 20 5 EGBDRO COc1ccc(C[C@@H](C)[N@H+](C)CCc2ccccn2)c([N+](=O)[O-])c1 ZINC001170329053 1384292538 /nfs/dbraw/zinc/29/25/38/1384292538.db2.gz NQZHERNHCUQPQV-CQSZACIVSA-N 1 0 329.400 3.104 20 5 EGBDRO COc1ccc(C[C@H](C)[N@@H+]2CCC[C@](C)(O)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC001170334132 1384293630 /nfs/dbraw/zinc/29/36/30/1384293630.db2.gz BYNRYZMIPRCGMB-GLJUWKHASA-N 1 0 336.432 3.017 20 5 EGBDRO COCC[C@H]1CCCC[N@@H+]1[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170345467 1384295813 /nfs/dbraw/zinc/29/58/13/1384295813.db2.gz LDVMSTBOYGFUIF-GDBMZVCRSA-N 1 0 336.432 3.425 20 5 EGBDRO COc1ccc(C[C@@H](C)[N@@H+]2CCC[C@H]2C(C)(C)OC)c([N+](=O)[O-])c1 ZINC001170348528 1384297274 /nfs/dbraw/zinc/29/72/74/1384297274.db2.gz YBVMOQZKJDFZGF-DYVFJYSZSA-N 1 0 336.432 3.424 20 5 EGBDRO CCN(CC[NH+]1CCCCC1)[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170351035 1384298002 /nfs/dbraw/zinc/29/80/02/1384298002.db2.gz DILYKPYATFKMCO-INIZCTEOSA-N 1 0 349.475 3.342 20 5 EGBDRO CCC[N@H+]([C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])C1CCOCC1 ZINC001170354912 1384299552 /nfs/dbraw/zinc/29/95/52/1384299552.db2.gz RSIMSMAJBCNDRJ-CQSZACIVSA-N 1 0 336.432 3.425 20 5 EGBDRO [NH3+]Cc1nccnc1Nc1nc2c(ccc3ccccc32)nc1Cl ZINC001171449431 1384527477 /nfs/dbraw/zinc/52/74/77/1384527477.db2.gz FGESDICUDZFITO-UHFFFAOYSA-N 1 0 336.786 3.429 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@H](CO)c1ccccc1)CC2 ZINC001172895706 1384873908 /nfs/dbraw/zinc/87/39/08/1384873908.db2.gz HTORIZHXJIMYIJ-IEBWSBKVSA-N 1 0 326.396 3.165 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@H](CO)c1cccc(F)c1)CC2 ZINC001172900449 1384874170 /nfs/dbraw/zinc/87/41/70/1384874170.db2.gz DVVHHVUKJOTPGS-PKOBYXMFSA-N 1 0 344.386 3.305 20 5 EGBDRO CCOC(=O)[C@H]1CCC[C@@H]1[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172901388 1384874231 /nfs/dbraw/zinc/87/42/31/1384874231.db2.gz IALPISDKCFVYJD-NJAFHUGGSA-N 1 0 346.427 3.164 20 5 EGBDRO [NH3+]C[C@@H]1CN([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)c2ccccc21 ZINC001172903621 1384874968 /nfs/dbraw/zinc/87/49/68/1384874968.db2.gz RWUCTMMURUNWGG-IAGOWNOFSA-N 1 0 337.423 3.405 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]Cc1cncn1CC1CC1)CC2 ZINC001172906298 1384875511 /nfs/dbraw/zinc/87/55/11/1384875511.db2.gz NWJLDRIINOAVDM-QGZVFWFLSA-N 1 0 340.427 3.239 20 5 EGBDRO CC1(C)C[N@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)[C@](C)(CO)C1 ZINC001172905391 1384875568 /nfs/dbraw/zinc/87/55/68/1384875568.db2.gz RRYVNFUGKPKQIS-APWZRJJASA-N 1 0 332.444 3.325 20 5 EGBDRO COc1ccc(CC[NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)nc1 ZINC001172910832 1384876332 /nfs/dbraw/zinc/87/63/32/1384876332.db2.gz DKGLGCRWVLLWIV-MRXNPFEDSA-N 1 0 341.411 3.078 20 5 EGBDRO COC(=O)[C@@H]1CCC[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172911741 1384876370 /nfs/dbraw/zinc/87/63/70/1384876370.db2.gz FNXGTSRHZIIOCP-NVXWUHKLSA-N 1 0 346.427 3.117 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@H](CO)c1cccs1)CC2 ZINC001172913252 1384876784 /nfs/dbraw/zinc/87/67/84/1384876784.db2.gz VDCYTYCVJXMDSS-GDBMZVCRSA-N 1 0 332.425 3.227 20 5 EGBDRO O=C1CCC[C@@H]2C[N@@H+]([C@@H]3CCc4ccc([N+](=O)[O-])cc4CC3)C[C@@H]12 ZINC001172914130 1384877252 /nfs/dbraw/zinc/87/72/52/1384877252.db2.gz ZTJLFFBIIQMWPJ-JFIYKMOQSA-N 1 0 328.412 3.143 20 5 EGBDRO COC1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172918650 1384878597 /nfs/dbraw/zinc/87/85/97/1384878597.db2.gz BZZNRWGABGUNCQ-VLFFPSDRSA-N 1 0 330.428 3.484 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH+]1CCC3(C[C@H](F)CO3)CC1)CC2 ZINC001172921834 1384879936 /nfs/dbraw/zinc/87/99/36/1384879936.db2.gz UONZPPPDYYQIJF-IRXDYDNUSA-N 1 0 348.418 3.435 20 5 EGBDRO O=[N+]([O-])c1ccc(C(F)(F)F)cc1N1CCC([NH2+]C2CC2)CC1 ZINC001335844915 1388950426 /nfs/dbraw/zinc/95/04/26/1388950426.db2.gz YWXLVONNHIGFJR-UHFFFAOYSA-N 1 0 329.322 3.334 20 5 EGBDRO O=[N+]([O-])c1cc(F)c(N2CCC([N@@H+]3C[C@H]4CC[C@@H]3C4)CC2)c(F)c1 ZINC001173014786 1384898151 /nfs/dbraw/zinc/89/81/51/1384898151.db2.gz BQDNFMYUDNJSSQ-WCQYABFASA-N 1 0 337.370 3.326 20 5 EGBDRO CCC1([NH2+][C@@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])CCOCC1 ZINC001173177342 1384931744 /nfs/dbraw/zinc/93/17/44/1384931744.db2.gz AYVPIVFTPMUWMW-LBPRGKRZSA-N 1 0 340.395 3.222 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CCCc2ccncc2)c1F ZINC001173176580 1384932046 /nfs/dbraw/zinc/93/20/46/1384932046.db2.gz IVNWARFPBKOMPW-CYBMUJFWSA-N 1 0 347.390 3.291 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2CC[C@@](C)(CF)C2)c1F ZINC001173182777 1384932683 /nfs/dbraw/zinc/93/26/83/1384932683.db2.gz TZDPNKCUZIWYPB-BZNIZROVSA-N 1 0 328.359 3.355 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CC[C@]3(CC3(F)F)C2)c1F ZINC001173188519 1384933384 /nfs/dbraw/zinc/93/33/84/1384933384.db2.gz GIFOLCYOKFYYAY-BONVTDFDSA-N 1 0 344.333 3.405 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+](C)C[C@H]2CCCCO2)c1F ZINC001173190484 1384933430 /nfs/dbraw/zinc/93/34/30/1384933430.db2.gz TVXBNUFEDFORQJ-CHWSQXEVSA-N 1 0 340.395 3.174 20 5 EGBDRO Cc1ccc2c(c1)[C@@H]([NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)N2 ZINC001173211376 1384937123 /nfs/dbraw/zinc/93/71/23/1384937123.db2.gz RPVFILDSGCIKAV-SJKOYZFVSA-N 1 0 325.368 3.117 20 5 EGBDRO COC(=O)Cc1ccc(C[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001173217760 1384937699 /nfs/dbraw/zinc/93/76/99/1384937699.db2.gz LZHCIZANJNQUJY-CQSZACIVSA-N 1 0 342.395 3.031 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC001173220433 1384938149 /nfs/dbraw/zinc/93/81/49/1384938149.db2.gz ADKWLXDQNPSQGH-SWLSCSKDSA-N 1 0 346.349 3.305 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1CCN(C(=O)C(C)(C)C)CC1 ZINC001173221888 1384938445 /nfs/dbraw/zinc/93/84/45/1384938445.db2.gz QQFREPVTTBUQJZ-CQSZACIVSA-N 1 0 347.459 3.153 20 5 EGBDRO CC(C)c1nc(CC[N@H+](C)[C@@H](C)Cc2ccc([N+](=O)[O-])cc2)no1 ZINC001173221502 1384938449 /nfs/dbraw/zinc/93/84/49/1384938449.db2.gz IZZJNDKFABDUGK-ZDUSSCGKSA-N 1 0 332.404 3.207 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC(=O)Cc1ccc(F)cc1 ZINC001173221129 1384938530 /nfs/dbraw/zinc/93/85/30/1384938530.db2.gz JVGLTRHATCHETM-CYBMUJFWSA-N 1 0 330.359 3.066 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2cc3c(cc2C1)OCO3 ZINC001173221079 1384938665 /nfs/dbraw/zinc/93/86/65/1384938665.db2.gz GAVBWWCJGCJXST-ZDUSSCGKSA-N 1 0 340.379 3.313 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC[C@@](O)(C(F)(F)F)C1 ZINC001173222543 1384939308 /nfs/dbraw/zinc/93/93/08/1384939308.db2.gz SVFIXTFMGDCIJM-WFASDCNBSA-N 1 0 346.349 3.305 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC001173226426 1384939626 /nfs/dbraw/zinc/93/96/26/1384939626.db2.gz KDENFTQOTLDFTQ-KDOFPFPSSA-N 1 0 327.384 3.074 20 5 EGBDRO COc1ccc(C(C)(C)C[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)nc1 ZINC001173225661 1384940370 /nfs/dbraw/zinc/94/03/70/1384940370.db2.gz UIPOUNUCUMYYES-AWEZNQCLSA-N 1 0 343.427 3.497 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc2oc(=O)[nH]c2c1 ZINC001173230825 1384940733 /nfs/dbraw/zinc/94/07/33/1384940733.db2.gz UTVVEOWLKUETJN-LLVKDONJSA-N 1 0 327.340 3.162 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1c2ccccc2CC[C@H]1O ZINC001173232024 1384941630 /nfs/dbraw/zinc/94/16/30/1384941630.db2.gz CIRPPQVSAMAUEB-UPRAQXHNSA-N 1 0 326.396 3.164 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(NC(=O)C(C)(C)C)CC1 ZINC001173232308 1384941720 /nfs/dbraw/zinc/94/17/20/1384941720.db2.gz QPCCTHFUDZRNQG-CQSZACIVSA-N 1 0 347.459 3.153 20 5 EGBDRO Cc1cccnc1O[C@@H]1CC[N@@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173238357 1384943071 /nfs/dbraw/zinc/94/30/71/1384943071.db2.gz QLONOXSLFANDER-MAUKXSAKSA-N 1 0 341.411 3.383 20 5 EGBDRO COc1cc(N2CC[NH+](C)CC2)ccc1Nc1ccc([N+](=O)[O-])cc1 ZINC001174478142 1385112770 /nfs/dbraw/zinc/11/27/70/1385112770.db2.gz PKSWPCKCCCMISN-UHFFFAOYSA-N 1 0 342.399 3.099 20 5 EGBDRO C[NH+]1CCN(c2ccc(Nc3ccc(/C=C/[N+](=O)[O-])cc3)cc2)CC1 ZINC001175902947 1385432717 /nfs/dbraw/zinc/43/27/17/1385432717.db2.gz XZODTDKAKCLFMO-ZHACJKMWSA-N 1 0 338.411 3.429 20 5 EGBDRO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2-c1ccc(=O)[nH]c1 ZINC001176131421 1385492099 /nfs/dbraw/zinc/49/20/99/1385492099.db2.gz TZIXAQKANMRDJX-UHFFFAOYSA-N 1 0 346.390 3.345 20 5 EGBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@H]3CCCC[C@H]3C2)c1 ZINC001329583004 1389166551 /nfs/dbraw/zinc/16/65/51/1389166551.db2.gz LJLFRSZAOVASQK-HIFRSBDPSA-N 1 0 332.400 3.394 20 5 EGBDRO CN1CC[C@H]([NH2+]Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC001334807791 1390595242 /nfs/dbraw/zinc/59/52/42/1390595242.db2.gz JSSPUWOUNLIXET-LBPRGKRZSA-N 1 0 335.791 3.302 20 5 EGBDRO COc1c(O)ccc(C[NH2+]C[C@@H](C)c2ccc(F)cc2)c1[N+](=O)[O-] ZINC001334951364 1390625425 /nfs/dbraw/zinc/62/54/25/1390625425.db2.gz JVBBWNAAIABUEO-LLVKDONJSA-N 1 0 334.347 3.341 20 5 EGBDRO CN(Cc1cc(F)cc(F)c1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC001343771267 1390735893 /nfs/dbraw/zinc/73/58/93/1390735893.db2.gz HNEGSLXTWYNJNW-UHFFFAOYSA-N 1 0 332.310 3.312 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1-c1noc([C@@H]2C[C@H]2C2CC[NH2+]CC2)n1 ZINC001345669522 1390874399 /nfs/dbraw/zinc/87/43/99/1390874399.db2.gz LDWUZDXUPGRYGQ-LSDHHAIUSA-N 1 0 342.399 3.365 20 5 EGBDRO CC[NH+](CC)CC[C@@H](C)NC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC001347682041 1391110480 /nfs/dbraw/zinc/11/04/80/1391110480.db2.gz NVEMNQDHMCKAHR-CYBMUJFWSA-N 1 0 336.436 3.454 20 5 EGBDRO O=[N+]([O-])c1ccc2ccnc(N3CCCN(c4cc[nH+]cc4)CC3)c2c1 ZINC001352065600 1391754311 /nfs/dbraw/zinc/75/43/11/1391754311.db2.gz CIOSNOQLVRNVEN-UHFFFAOYSA-N 1 0 349.394 3.255 20 5 EGBDRO CC[N@H+](CCCNC(=O)c1cocc1C)Cc1ccc([N+](=O)[O-])cc1 ZINC001752204078 1440153912 /nfs/dbraw/zinc/15/39/12/1440153912.db2.gz DOQBRLHORUVWFN-UHFFFAOYSA-N 1 0 345.399 3.138 20 5 EGBDRO CC(C)(C)/C=C/C(=O)NCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001753152866 1440329281 /nfs/dbraw/zinc/32/92/81/1440329281.db2.gz QGQDJLUFVTWFAU-ZHACJKMWSA-N 1 0 345.443 3.278 20 5 EGBDRO O=C(CC1CCC1)NC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CCCC1 ZINC001753501269 1440423365 /nfs/dbraw/zinc/42/33/65/1440423365.db2.gz XRFPMOCWFLHSPO-UHFFFAOYSA-N 1 0 345.443 3.304 20 5 EGBDRO CN(CCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1)C(=O)C1(C)CCCC1 ZINC001755041063 1440737364 /nfs/dbraw/zinc/73/73/64/1440737364.db2.gz KROOXSBYPBRMTB-UHFFFAOYSA-N 1 0 347.459 3.455 20 5 EGBDRO C[NH+](C)[C@H]1CCCN(c2cc3ccc(Cl)nc3cc2[N+](=O)[O-])C1 ZINC001165037951 721898963 /nfs/dbraw/zinc/89/89/63/721898963.db2.gz OVHLIRSFZVUMGL-LBPRGKRZSA-N 1 0 334.807 3.327 20 5 EGBDRO C[C@@H](Nc1ccc([N+](=O)[O-])cc1Br)[C@H]1CCC[NH2+]C1 ZINC000050164270 214048141 /nfs/dbraw/zinc/04/81/41/214048141.db2.gz UKCNIXFUAPQTQF-ZJUUUORDSA-N 1 0 328.210 3.157 20 5 EGBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H]2CCN(c3ccccc3F)C2)cs1 ZINC000368297312 168340426 /nfs/dbraw/zinc/34/04/26/168340426.db2.gz WJAQOGPRBZUCEK-GFCCVEGCSA-N 1 0 335.404 3.412 20 5 EGBDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000053304042 214176839 /nfs/dbraw/zinc/17/68/39/214176839.db2.gz IIGPVEYWUZGQEJ-GASCZTMLSA-N 1 0 347.459 3.010 20 5 EGBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000055400759 214319292 /nfs/dbraw/zinc/31/92/92/214319292.db2.gz XTSAXZMQGWDFGC-NWDGAFQWSA-N 1 0 339.823 3.098 20 5 EGBDRO C[NH+](C)CC[C@H](NC(=O)c1cccc(Cl)c1[N+](=O)[O-])C(C)(C)C ZINC000175885330 231529775 /nfs/dbraw/zinc/52/97/75/231529775.db2.gz HYCGIHLCLRVGCC-ZDUSSCGKSA-N 1 0 341.839 3.344 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2nccs2)cc1[N+](=O)[O-] ZINC000178685952 232375725 /nfs/dbraw/zinc/37/57/25/232375725.db2.gz KXDKGWSBVIRFLT-MNOVXSKESA-N 1 0 334.401 3.038 20 5 EGBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)c2cn(C)nc2C)cc1[N+](=O)[O-] ZINC000179419478 233013159 /nfs/dbraw/zinc/01/31/59/233013159.db2.gz KJWFRNLLSRNFTI-RYUDHWBXSA-N 1 0 332.404 3.447 20 5 EGBDRO Cc1ccc(NC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000040095628 213263748 /nfs/dbraw/zinc/26/37/48/213263748.db2.gz MLXMALDWOXKKGD-HNNXBMFYSA-N 1 0 348.428 3.389 20 5 EGBDRO Cc1c(C(=O)NCC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000072017779 215994155 /nfs/dbraw/zinc/99/41/55/215994155.db2.gz WPRVLDMWUXUWTJ-KBPBESRZSA-N 1 0 347.459 3.390 20 5 EGBDRO O=C(NCCCCC[NH+]1CCCCC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000130000681 223111860 /nfs/dbraw/zinc/11/18/60/223111860.db2.gz MPIJHGVWMLCOJU-UHFFFAOYSA-N 1 0 337.395 3.120 20 5 EGBDRO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000072663409 216289943 /nfs/dbraw/zinc/28/99/43/216289943.db2.gz JAXOQFKOJDUQFC-CPUCHLNUSA-N 1 0 331.416 3.211 20 5 EGBDRO CCSCC[C@@H](C)[N@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000072900328 216325821 /nfs/dbraw/zinc/32/58/21/216325821.db2.gz TXHBZZYPVWMGQT-GFCCVEGCSA-N 1 0 340.445 3.425 20 5 EGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](O)Cc1ccccc1 ZINC000132204731 223310266 /nfs/dbraw/zinc/31/02/66/223310266.db2.gz WCXBDWVLUSVBFX-CRAIPNDOSA-N 1 0 328.412 3.109 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCc2ccsc2C1 ZINC000132718120 223356702 /nfs/dbraw/zinc/35/67/02/223356702.db2.gz XOMJTUUHSNKVHR-UHFFFAOYSA-N 1 0 345.424 3.352 20 5 EGBDRO C[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])[C@H](c1ccccc1)[NH+](C)C ZINC000187205632 296106352 /nfs/dbraw/zinc/10/63/52/296106352.db2.gz PVHWIAZKASNUCN-CXAGYDPISA-N 1 0 327.384 3.016 20 5 EGBDRO O=C(NCCCCC[NH+]1CCCCC1)c1cc(F)ccc1[N+](=O)[O-] ZINC000110436504 220036715 /nfs/dbraw/zinc/03/67/15/220036715.db2.gz XEAQOFFERSRCOB-UHFFFAOYSA-N 1 0 337.395 3.120 20 5 EGBDRO Cc1nccn1CC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000264999305 247124302 /nfs/dbraw/zinc/12/43/02/247124302.db2.gz YXSRCVHILAOROK-UHFFFAOYSA-N 1 0 343.412 3.013 20 5 EGBDRO COC1CCC([N@H+](C)Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000265167811 247264823 /nfs/dbraw/zinc/26/48/23/247264823.db2.gz ANLPYSIKYZPIOB-UHFFFAOYSA-N 1 0 346.387 3.034 20 5 EGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000266523863 248344741 /nfs/dbraw/zinc/34/47/41/248344741.db2.gz JKUNSTORXSQYPC-KBPBESRZSA-N 1 0 341.415 3.073 20 5 EGBDRO CC[NH+]1CCC(CCNC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)CC1 ZINC000091679172 218047089 /nfs/dbraw/zinc/04/70/89/218047089.db2.gz CMZYCFNTUKCRCD-UHFFFAOYSA-N 1 0 347.459 3.372 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000094169876 218267271 /nfs/dbraw/zinc/26/72/71/218267271.db2.gz SEAJLBCPVREECZ-INIZCTEOSA-N 1 0 345.443 3.078 20 5 EGBDRO Cc1cc(NC(=O)N2CCC(CCC[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000153671748 224139223 /nfs/dbraw/zinc/13/92/23/224139223.db2.gz YJIMSABUDPOXNU-UHFFFAOYSA-N 1 0 348.447 3.489 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCSC[C@H]2c2ccccc2)c1 ZINC000154310774 224235660 /nfs/dbraw/zinc/23/56/60/224235660.db2.gz DSAJYAYKVBYTBF-ROUUACIJSA-N 1 0 344.436 3.418 20 5 EGBDRO COCCOc1ccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000178644161 533244055 /nfs/dbraw/zinc/24/40/55/533244055.db2.gz OCHWDDUHEXGMFI-CQSZACIVSA-N 1 0 330.384 3.471 20 5 EGBDRO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)[C@@H](c1ccccc1)[NH+](C)C ZINC000187194406 533292530 /nfs/dbraw/zinc/29/25/30/533292530.db2.gz HDZGYWQQUALHFZ-PXAZEXFGSA-N 1 0 345.374 3.155 20 5 EGBDRO C[C@H]([NH2+]CCCNC(=O)c1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000178654869 144073637 /nfs/dbraw/zinc/07/36/37/144073637.db2.gz KQQZAQVSLISULX-ZDUSSCGKSA-N 1 0 345.374 3.205 20 5 EGBDRO CCOC(=O)C[C@](C)([NH2+]Cc1c(F)cccc1[N+](=O)[O-])C(C)C ZINC000186693938 144141022 /nfs/dbraw/zinc/14/10/22/144141022.db2.gz JIEFFRQVGPSBPH-INIZCTEOSA-N 1 0 326.368 3.191 20 5 EGBDRO C[C@H]1C[C@@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[N@@H+]1C ZINC000344634197 144202964 /nfs/dbraw/zinc/20/29/64/144202964.db2.gz RQUTVSXNEPGKME-JSGCOSHPSA-N 1 0 346.456 3.291 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCCOC[C@@H]1CCOC1 ZINC000344790444 144224771 /nfs/dbraw/zinc/22/47/71/144224771.db2.gz IZBTXPGCQCRKIE-OBHPCNEJSA-N 1 0 334.416 3.031 20 5 EGBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCOC2)ccc1Oc1ccc(F)cc1 ZINC000344846233 144230072 /nfs/dbraw/zinc/23/00/72/144230072.db2.gz KOXGEJNCJALRQP-CQSZACIVSA-N 1 0 332.331 3.405 20 5 EGBDRO Cc1noc([C@H](C)[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])n1 ZINC000361600092 144335541 /nfs/dbraw/zinc/33/55/41/144335541.db2.gz BCTKAAPJAXAYGE-WHOFXGATSA-N 1 0 330.388 3.348 20 5 EGBDRO C[C@H]1CN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H](C)S1=O ZINC000361654675 144343768 /nfs/dbraw/zinc/34/37/68/144343768.db2.gz LWMXTBWEPNBNJR-STQMWFEESA-N 1 0 348.424 3.196 20 5 EGBDRO CCC(CC)[C@H](CNc1cccc(C(N)=O)c1[N+](=O)[O-])[NH+]1CCCC1 ZINC000341416847 155281240 /nfs/dbraw/zinc/28/12/40/155281240.db2.gz JAXKIYXMVPNPHQ-INIZCTEOSA-N 1 0 348.447 3.006 20 5 EGBDRO C[N@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C(C1CC1)C1CC1 ZINC000117337249 152094202 /nfs/dbraw/zinc/09/42/02/152094202.db2.gz OAFCELZUVPIOMH-UHFFFAOYSA-N 1 0 345.399 3.013 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3cccc(Cl)c3)C2)nc1 ZINC000118866818 152158148 /nfs/dbraw/zinc/15/81/48/152158148.db2.gz DBLGOHBFSUCVHS-CQSZACIVSA-N 1 0 332.791 3.330 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1NCCC[NH+]1CCC(O)CC1 ZINC000341593240 155372890 /nfs/dbraw/zinc/37/28/90/155372890.db2.gz ZLNAZXHDDQFPCC-UHFFFAOYSA-N 1 0 348.230 3.160 20 5 EGBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000311013476 154145179 /nfs/dbraw/zinc/14/51/79/154145179.db2.gz AURFUHWOFIDRMP-MRXNPFEDSA-N 1 0 343.431 3.196 20 5 EGBDRO C[NH+](C)CC1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000336973306 154250606 /nfs/dbraw/zinc/25/06/06/154250606.db2.gz MLSSQAXFXKFADI-UHFFFAOYSA-N 1 0 340.811 3.054 20 5 EGBDRO COCC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CC[C@@H](C)C1 ZINC000337483675 154376250 /nfs/dbraw/zinc/37/62/50/154376250.db2.gz XGOBLEZVGFIJNT-HUUCEWRRSA-N 1 0 349.431 3.060 20 5 EGBDRO [NH3+]CCN(C/C=C/c1ccc(F)cc1F)c1ccccc1[N+](=O)[O-] ZINC000348894685 156279167 /nfs/dbraw/zinc/27/91/67/156279167.db2.gz ORQZRKPRNAZFEO-ONEGZZNKSA-N 1 0 333.338 3.352 20 5 EGBDRO [NH3+]CCN(Cc1cnc(C(F)(F)F)s1)c1ccccc1[N+](=O)[O-] ZINC000348923097 156290196 /nfs/dbraw/zinc/29/01/96/156290196.db2.gz SCPFMZNQTUUORI-UHFFFAOYSA-N 1 0 346.334 3.035 20 5 EGBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC[C@@H]2C2CCOCC2)cc1 ZINC000348949701 156297487 /nfs/dbraw/zinc/29/74/87/156297487.db2.gz OBLCNGNRXKNDNU-GOSISDBHSA-N 1 0 334.416 3.255 20 5 EGBDRO COc1cc(C[N@@H+]2C[C@H](C)[C@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000352628170 156388916 /nfs/dbraw/zinc/38/89/16/156388916.db2.gz JUFRWCMDEKXQOA-PHIMTYICSA-N 1 0 344.358 3.335 20 5 EGBDRO CCOc1cc(C[N@@H+]2CCC[C@@H](c3ccnn3C)C2)ccc1[N+](=O)[O-] ZINC000372805898 157387364 /nfs/dbraw/zinc/38/73/64/157387364.db2.gz HTNRPNFKYCHYLC-OAHLLOKOSA-N 1 0 344.415 3.107 20 5 EGBDRO COC(=O)[C@@]1(C)CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000093813715 162029886 /nfs/dbraw/zinc/02/98/86/162029886.db2.gz OSDYUMSXBFCLLY-SFHVURJKSA-N 1 0 344.367 3.240 20 5 EGBDRO COc1ccc(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)cn1 ZINC000126362984 162301388 /nfs/dbraw/zinc/30/13/88/162301388.db2.gz UAKMYCDPJZUCQH-MRXNPFEDSA-N 1 0 327.384 3.109 20 5 EGBDRO COc1cc(N(C)CCC[N@H+](C)Cc2ccco2)ccc1[N+](=O)[O-] ZINC000343808818 164039584 /nfs/dbraw/zinc/03/95/84/164039584.db2.gz NDWXBCBKAOFLKP-UHFFFAOYSA-N 1 0 333.388 3.155 20 5 EGBDRO CCC[N@@H+]1CCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1Br ZINC000343920384 164066310 /nfs/dbraw/zinc/06/63/10/164066310.db2.gz SNMNADFVKPQMSP-SNVBAGLBSA-N 1 0 343.225 3.039 20 5 EGBDRO CC[C@H]([NH2+][C@@H]1CCC[C@@H]2CN(C(C)=O)C[C@@H]21)c1cccc([N+](=O)[O-])c1 ZINC000343989921 164078225 /nfs/dbraw/zinc/07/82/25/164078225.db2.gz PQBKMHVVXOLXGN-XGXHKWSGSA-N 1 0 345.443 3.283 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H](C2CC2)C1 ZINC000344130733 164111201 /nfs/dbraw/zinc/11/12/01/164111201.db2.gz YIWSEVPNEOCPHB-OAHLLOKOSA-N 1 0 331.416 3.354 20 5 EGBDRO CC(C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])s1)[NH+]1CCC(C)CC1 ZINC000345828295 164274207 /nfs/dbraw/zinc/27/42/07/164274207.db2.gz JAPDMLZMMSFABP-CYBMUJFWSA-N 1 0 339.461 3.143 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3C[C@@H]4CC[C@H](O)[C@H]4C3)o2)cc1 ZINC000346334097 164370256 /nfs/dbraw/zinc/37/02/56/164370256.db2.gz NPOSDURZIQZIEJ-JQFCIGGWSA-N 1 0 328.368 3.058 20 5 EGBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)C[C@@H]1C ZINC000355256061 166148779 /nfs/dbraw/zinc/14/87/79/166148779.db2.gz QJRTZCZJCAVPEZ-UONOGXRCSA-N 1 0 333.432 3.075 20 5 EGBDRO COc1cccc(N2CCC[C@H]([NH+]3[C@H](C)CC[C@H]3C)C2)c1[N+](=O)[O-] ZINC000355338985 166168711 /nfs/dbraw/zinc/16/87/11/166168711.db2.gz HMZGTKWNSQCQER-KFWWJZLASA-N 1 0 333.432 3.445 20 5 EGBDRO CC[C@@H](C)[NH2+][C@H](CNC(=O)c1cc(C)cc([N+](=O)[O-])c1)c1ccco1 ZINC000359567019 167196542 /nfs/dbraw/zinc/19/65/42/167196542.db2.gz WGGRWWJJDMHFFG-CZUORRHYSA-N 1 0 345.399 3.355 20 5 EGBDRO Cc1ccnc(OC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000360210240 167272344 /nfs/dbraw/zinc/27/23/44/167272344.db2.gz VWSJEGDAZHZCMP-UHFFFAOYSA-N 1 0 341.411 3.384 20 5 EGBDRO CC(C)CC[C@@H](O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000360685289 167388173 /nfs/dbraw/zinc/38/81/73/167388173.db2.gz KGRBWFVNCFHPSA-MRXNPFEDSA-N 1 0 336.432 3.235 20 5 EGBDRO CC[NH2+]Cc1cccc(NC(=O)CCOc2ccccc2[N+](=O)[O-])c1 ZINC000123484899 222285500 /nfs/dbraw/zinc/28/55/00/222285500.db2.gz OZFLUNNTPPGEGQ-UHFFFAOYSA-N 1 0 343.383 3.112 20 5 EGBDRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000357852222 292645058 /nfs/dbraw/zinc/64/50/58/292645058.db2.gz NIXIBTRTHYYDHX-RDTXWAMCSA-N 1 0 341.411 3.324 20 5 EGBDRO COc1ccc(NC(=O)CC[N@H+]2C[C@@H]3CCCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000177523319 265260653 /nfs/dbraw/zinc/26/06/53/265260653.db2.gz BKTAWTRMNPSCNY-OKILXGFUSA-N 1 0 347.415 3.054 20 5 EGBDRO C[C@@H]([NH3+])c1ccc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)cc1 ZINC000178207939 265300243 /nfs/dbraw/zinc/30/02/43/265300243.db2.gz VTZSYPOXTPKOIG-LLVKDONJSA-N 1 0 340.383 3.441 20 5 EGBDRO Cc1nc(C)c([C@@H](C)[N@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)s1 ZINC000269629443 266329858 /nfs/dbraw/zinc/32/98/58/266329858.db2.gz DZLPFPINDCLGKV-ABAIWWIYSA-N 1 0 335.429 3.395 20 5 EGBDRO C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCc2ccccc2C1 ZINC000269626882 266330203 /nfs/dbraw/zinc/33/02/03/266330203.db2.gz CVJJDGURBDXCCT-IEBWSBKVSA-N 1 0 326.396 3.118 20 5 EGBDRO C[C@H](NC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000273522478 267053233 /nfs/dbraw/zinc/05/32/33/267053233.db2.gz YWTWCSWYRVERLD-KBPBESRZSA-N 1 0 348.447 3.028 20 5 EGBDRO Cc1nccn1CCC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000274362495 267224623 /nfs/dbraw/zinc/22/46/23/267224623.db2.gz NVGSZGFTPFRRKH-SJLPKXTDSA-N 1 0 342.443 3.491 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000275527896 267375128 /nfs/dbraw/zinc/37/51/28/267375128.db2.gz LSSVCTHLJMWIIM-HNNXBMFYSA-N 1 0 348.428 3.389 20 5 EGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC000278395065 268002957 /nfs/dbraw/zinc/00/29/57/268002957.db2.gz GFJLCHKRRRGZOC-UGSOOPFHSA-N 1 0 332.375 3.378 20 5 EGBDRO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000342622970 274212880 /nfs/dbraw/zinc/21/28/80/274212880.db2.gz SXEGUVHEVXLFRM-AWEZNQCLSA-N 1 0 342.399 3.237 20 5 EGBDRO Cc1ncc2c(n1)CC[C@@H]([NH2+][C@@H]1CCCc3ccc([N+](=O)[O-])cc31)C2 ZINC000375712505 274857538 /nfs/dbraw/zinc/85/75/38/274857538.db2.gz SGZCODMXIKGWES-DNVCBOLYSA-N 1 0 338.411 3.218 20 5 EGBDRO O=C([C@@H]1CC[N@@H+](C2CCCCC2)C1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000176800567 275005426 /nfs/dbraw/zinc/00/54/26/275005426.db2.gz ZCHKETCOKWEMSX-CQSZACIVSA-N 1 0 343.427 3.139 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1ccc3c(c1)OCO3)CCC2 ZINC000192593401 275038454 /nfs/dbraw/zinc/03/84/54/275038454.db2.gz LBYVNMIVJDVPRU-MRXNPFEDSA-N 1 0 326.352 3.491 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1CCN(c3ccccn3)C1)CCC2 ZINC000193048208 275038476 /nfs/dbraw/zinc/03/84/76/275038476.db2.gz VOUGHZZBIGJZMI-MAUKXSAKSA-N 1 0 338.411 3.236 20 5 EGBDRO O=[N+]([O-])c1cnc2ccccc2c1N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000261777721 275041793 /nfs/dbraw/zinc/04/17/93/275041793.db2.gz XPDIOGMTGHIZPX-OAHLLOKOSA-N 1 0 326.400 3.111 20 5 EGBDRO COC[C@H]([NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000278746003 275271039 /nfs/dbraw/zinc/27/10/39/275271039.db2.gz JXWUQOJRZWQBQQ-RUENVJTFSA-N 1 0 348.443 3.090 20 5 EGBDRO CCn1nccc1C1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000278770242 275273220 /nfs/dbraw/zinc/27/32/20/275273220.db2.gz CJGSYGWDSYJLRK-UHFFFAOYSA-N 1 0 328.416 3.233 20 5 EGBDRO CC(=O)Nc1ccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)cn1 ZINC000278987539 275293741 /nfs/dbraw/zinc/29/37/41/275293741.db2.gz DNLCRYMMCYKEIX-LBPRGKRZSA-N 1 0 328.372 3.107 20 5 EGBDRO CO[C@@]1(C)CCC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000279279729 275318709 /nfs/dbraw/zinc/31/87/09/275318709.db2.gz KARLPONTSBXSTK-KRWDZBQOSA-N 1 0 331.372 3.251 20 5 EGBDRO C[C@@H]1C[C@H](NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC[N@@H+]1C ZINC000279616039 275344196 /nfs/dbraw/zinc/34/41/96/275344196.db2.gz XTVOJSBKMPCBPV-ZWNOBZJWSA-N 1 0 331.338 3.186 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000280007927 275390003 /nfs/dbraw/zinc/39/00/03/275390003.db2.gz LQLHELXDUTWVCB-KDOFPFPSSA-N 1 0 341.411 3.324 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](c1ccco1)N(C)C ZINC000344884437 275398548 /nfs/dbraw/zinc/39/85/48/275398548.db2.gz TVTWUIWBDZACTN-QXSWTLKVSA-N 1 0 329.400 3.484 20 5 EGBDRO CCC(=O)c1ccc(N2CC[C@H](C[NH+]3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000280679151 275481606 /nfs/dbraw/zinc/48/16/06/275481606.db2.gz IEGHIXPBHWWFEI-OAHLLOKOSA-N 1 0 345.443 3.500 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(C)CCC[NH+]1CCCC1 ZINC000281413061 275547453 /nfs/dbraw/zinc/54/74/53/275547453.db2.gz PSRLWHCDLSURBX-UHFFFAOYSA-N 1 0 334.420 3.161 20 5 EGBDRO C[C@@H]([NH2+][C@H](CCCO)c1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283842863 275756144 /nfs/dbraw/zinc/75/61/44/275756144.db2.gz AYJTTXOTYQUQLD-CXAGYDPISA-N 1 0 329.400 3.341 20 5 EGBDRO CCS[C@@H]1CCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000284821326 275828861 /nfs/dbraw/zinc/82/88/61/275828861.db2.gz ABKIKSXWWJBBBB-TZMCWYRMSA-N 1 0 325.390 3.267 20 5 EGBDRO CCOc1cc(CN2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000285498172 275882604 /nfs/dbraw/zinc/88/26/04/275882604.db2.gz JBCYUEDEZZWMCA-HOCLYGCPSA-N 1 0 333.432 3.052 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000286594324 276020695 /nfs/dbraw/zinc/02/06/95/276020695.db2.gz QTMZIQHWJYZUEN-HUBLWGQQSA-N 1 0 346.349 3.457 20 5 EGBDRO CC(C)[C@H](c1ccccc1)[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090549044 276025402 /nfs/dbraw/zinc/02/54/02/276025402.db2.gz QAMYJRHMVOOHSU-GOSISDBHSA-N 1 0 329.400 3.086 20 5 EGBDRO C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C1CCC(F)(F)CC1 ZINC000287058868 276077562 /nfs/dbraw/zinc/07/75/62/276077562.db2.gz UVMDUZPONNZOAO-UHFFFAOYSA-N 1 0 327.331 3.043 20 5 EGBDRO CCn1c(C)nc([N+](=O)[O-])c1NCc1cccc(C[NH+]2CCCC2)c1 ZINC000288125804 276184942 /nfs/dbraw/zinc/18/49/42/276184942.db2.gz MBBSRMPTGGYKTF-UHFFFAOYSA-N 1 0 343.431 3.328 20 5 EGBDRO C[C@H]1[C@@H](NC(=O)c2csc([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000288370982 276207224 /nfs/dbraw/zinc/20/72/24/276207224.db2.gz UVYLBHQALAEIRO-WFASDCNBSA-N 1 0 345.424 3.049 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000289098138 276290456 /nfs/dbraw/zinc/29/04/56/276290456.db2.gz PLGMHFJGJLKCDH-HIFRSBDPSA-N 1 0 346.431 3.302 20 5 EGBDRO CN(CCC[NH+]1CCCC1)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000289522076 276352229 /nfs/dbraw/zinc/35/22/29/276352229.db2.gz CJXDEPBPFJHRFH-UHFFFAOYSA-N 1 0 340.811 3.198 20 5 EGBDRO COCCOCc1ccc(C[NH2+]CCc2ccccc2[N+](=O)[O-])cc1 ZINC000289909123 276417353 /nfs/dbraw/zinc/41/73/53/276417353.db2.gz YWTDGAYJWJYFLM-UHFFFAOYSA-N 1 0 344.411 3.090 20 5 EGBDRO C[C@@H](CC[S@@](C)=O)[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290935637 276562835 /nfs/dbraw/zinc/56/28/35/276562835.db2.gz SNPZOCAIXNNDJG-FFVOIRBGSA-N 1 0 339.244 3.148 20 5 EGBDRO COc1ccc(C[NH2+][C@H](C)[C@@H]2OCCc3sccc32)cc1[N+](=O)[O-] ZINC000291648488 276671359 /nfs/dbraw/zinc/67/13/59/276671359.db2.gz CMAQGNOFFXVJKB-DIFFPNOSSA-N 1 0 348.424 3.457 20 5 EGBDRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000262771031 279404502 /nfs/dbraw/zinc/40/45/02/279404502.db2.gz UOBTZDOMNKRRRG-GWCFXTLKSA-N 1 0 333.413 3.151 20 5 EGBDRO O=[N+]([O-])c1ccn(CC[N@H+](Cc2cccc(F)c2)C2CCCC2)n1 ZINC000358281191 280376709 /nfs/dbraw/zinc/37/67/09/280376709.db2.gz ZTRGDFVVGFCATR-UHFFFAOYSA-N 1 0 332.379 3.375 20 5 EGBDRO C[NH+](C)CCN(Cc1ccc(F)cc1F)Cc1ccccc1[N+](=O)[O-] ZINC000349062761 289145803 /nfs/dbraw/zinc/14/58/03/289145803.db2.gz NZOZSZOMAUVWDS-UHFFFAOYSA-N 1 0 349.381 3.437 20 5 EGBDRO COc1ccc(C[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])cc1O ZINC000178411936 533694627 /nfs/dbraw/zinc/69/46/27/533694627.db2.gz WDFGIIQSZTZARA-CYBMUJFWSA-N 1 0 330.384 3.420 20 5 EGBDRO CCCCNC(=O)[C@H]1CC[C@H](C)[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000066474634 307362546 /nfs/dbraw/zinc/36/25/46/307362546.db2.gz SJQSBJDJKMRTTN-RDJZCZTQSA-N 1 0 347.459 3.154 20 5 EGBDRO C[C@H]([NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])c1ccn(C)n1 ZINC000414197403 309066395 /nfs/dbraw/zinc/06/63/95/309066395.db2.gz WKJSFLMLFFRQAI-GRDNDAEWSA-N 1 0 328.416 3.390 20 5 EGBDRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cn1 ZINC000414237919 309068215 /nfs/dbraw/zinc/06/82/15/309068215.db2.gz BNSSEIQCTVHCCY-QIIPPGSGSA-N 1 0 344.415 3.240 20 5 EGBDRO Cc1c([C@H](C)[NH2+]C[C@H](CO)c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000414301533 309071422 /nfs/dbraw/zinc/07/14/22/309071422.db2.gz VPWXQZWVXWTJMW-DZGCQCFKSA-N 1 0 332.375 3.469 20 5 EGBDRO Cc1c([C@@H](C)[NH2+]C[C@H](CO)c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000414301539 309071439 /nfs/dbraw/zinc/07/14/39/309071439.db2.gz VPWXQZWVXWTJMW-UKRRQHHQSA-N 1 0 332.375 3.469 20 5 EGBDRO CN(c1ccccc1)c1ccc(C[NH+]2CCC(O)CC2)cc1[N+](=O)[O-] ZINC000162240633 307911000 /nfs/dbraw/zinc/91/10/00/307911000.db2.gz TXHNIHICJSRWMM-UHFFFAOYSA-N 1 0 341.411 3.319 20 5 EGBDRO C[C@H]([NH2+]C1CCN(Cc2cccnc2)CC1)c1ccccc1[N+](=O)[O-] ZINC000414362635 309075348 /nfs/dbraw/zinc/07/53/48/309075348.db2.gz FKQAVPAFVAPEEO-HNNXBMFYSA-N 1 0 340.427 3.305 20 5 EGBDRO C[C@@H]1C[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@@H]2CCCC[C@@H]21 ZINC000248409533 308002313 /nfs/dbraw/zinc/00/23/13/308002313.db2.gz CQWZDYFXDOFUIX-KBRIMQKVSA-N 1 0 331.416 3.068 20 5 EGBDRO C[C@H](C(=O)NCc1ccc([N+](=O)[O-])cc1Cl)[NH+]1[C@H](C)CC[C@H]1C ZINC000249057415 308018097 /nfs/dbraw/zinc/01/80/97/308018097.db2.gz XVZKWBYTGDUXCB-IJLUTSLNSA-N 1 0 339.823 3.126 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000249338639 308022770 /nfs/dbraw/zinc/02/27/70/308022770.db2.gz RRYDKDVEONGIEF-VNHYZAJKSA-N 1 0 349.431 3.346 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[C@@H]1CCO ZINC000249880046 308029226 /nfs/dbraw/zinc/02/92/26/308029226.db2.gz HLGFFLRBAAPAJD-FZCLSBEQSA-N 1 0 332.444 3.447 20 5 EGBDRO C[C@@H]1CN(C/C=C\c2ccccc2[N+](=O)[O-])CCN1CC(F)(F)F ZINC000255455077 308051059 /nfs/dbraw/zinc/05/10/59/308051059.db2.gz FYYYENQWILMEDL-RYWCDNDXSA-N 1 0 343.349 3.176 20 5 EGBDRO COCC1(CC[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CCC1 ZINC000293093622 308098793 /nfs/dbraw/zinc/09/87/93/308098793.db2.gz XFFYZYWYQMPHET-UHFFFAOYSA-N 1 0 344.358 3.493 20 5 EGBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2CC[C@H](O)C23CCCC3)c1 ZINC000293533509 308139549 /nfs/dbraw/zinc/13/95/49/308139549.db2.gz JPJRVELOPYMACA-AWEZNQCLSA-N 1 0 344.333 3.493 20 5 EGBDRO C[C@H]([NH2+]CC1([C@H](O)c2ccccc2)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294922655 308271889 /nfs/dbraw/zinc/27/18/89/308271889.db2.gz XCGFSTLKVAHVSQ-SCLBCKFNSA-N 1 0 341.411 3.341 20 5 EGBDRO Cc1nccnc1CC[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000295002989 308280469 /nfs/dbraw/zinc/28/04/69/308280469.db2.gz MCOFCOLSLUQGSG-MAUKXSAKSA-N 1 0 340.427 3.237 20 5 EGBDRO C[C@H]1[C@H](CO)CCC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000414587689 309090860 /nfs/dbraw/zinc/09/08/60/309090860.db2.gz VILSAIGSEKCNPK-KBPBESRZSA-N 1 0 330.384 3.448 20 5 EGBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000295679474 308349879 /nfs/dbraw/zinc/34/98/79/308349879.db2.gz KUUZSOHPAWHHMJ-XHDPSFHLSA-N 1 0 339.823 3.114 20 5 EGBDRO Cc1nc(NC[C@H](c2cccs2)[NH+]2CCCC2)ncc1[N+](=O)[O-] ZINC000296193972 308402901 /nfs/dbraw/zinc/40/29/01/308402901.db2.gz BQHDDSCJAIHMLY-CYBMUJFWSA-N 1 0 333.417 3.004 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1ccc(CN2CCC[C@H]3C[NH2+]C[C@H]32)o1 ZINC000414772922 309099893 /nfs/dbraw/zinc/09/98/93/309099893.db2.gz CSSCPWHRIQQRRN-SUMWQHHRSA-N 1 0 327.384 3.039 20 5 EGBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCC([NH+]2CCCCC2)CC1 ZINC000299187689 308665653 /nfs/dbraw/zinc/66/56/53/308665653.db2.gz CGAUKHKYAZATDA-CMDGGOBGSA-N 1 0 343.427 3.085 20 5 EGBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000330722181 308797915 /nfs/dbraw/zinc/79/79/15/308797915.db2.gz CHGRKALWHOGUQY-NSHDSACASA-N 1 0 339.823 3.051 20 5 EGBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000332362255 308835298 /nfs/dbraw/zinc/83/52/98/308835298.db2.gz CYHMXYSGPJMCCG-RKVPGOIHSA-N 1 0 345.443 3.001 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000332409412 308836752 /nfs/dbraw/zinc/83/67/52/308836752.db2.gz NANXMOULGGHNJJ-LSDHHAIUSA-N 1 0 346.431 3.065 20 5 EGBDRO C[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)N(C)c1ccccc1 ZINC000411771835 308952264 /nfs/dbraw/zinc/95/22/64/308952264.db2.gz PFUCMNOFOOCMBB-KBPBESRZSA-N 1 0 327.384 3.297 20 5 EGBDRO Cc1c([N+](=O)[O-])ccc(=O)n1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000413005989 309011771 /nfs/dbraw/zinc/01/17/71/309011771.db2.gz XUCZDHAIAPXYSJ-UHFFFAOYSA-N 1 0 341.411 3.099 20 5 EGBDRO Cc1c([N+](=O)[O-])ccc(=O)n1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000413006189 309011788 /nfs/dbraw/zinc/01/17/88/309011788.db2.gz YHFMWEQQJQVUPU-UHFFFAOYSA-N 1 0 341.411 3.099 20 5 EGBDRO Cc1cccc(CN(CC[NH+](C)C)c2ncc([N+](=O)[O-])cc2F)c1 ZINC000413194752 309020755 /nfs/dbraw/zinc/02/07/55/309020755.db2.gz PVZORBZJQWRIQK-UHFFFAOYSA-N 1 0 332.379 3.006 20 5 EGBDRO Cc1cc(N2CCCc3c(cnn3C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000413478272 309033844 /nfs/dbraw/zinc/03/38/44/309033844.db2.gz HGZQZBVIMUHKJE-UHFFFAOYSA-N 1 0 337.383 3.138 20 5 EGBDRO COc1ccc(CN2C[C@H](C)[NH2+]Cc3ccc(F)cc32)cc1[N+](=O)[O-] ZINC000414870918 309106617 /nfs/dbraw/zinc/10/66/17/309106617.db2.gz MXXXGCSZRYPVPL-LBPRGKRZSA-N 1 0 345.374 3.241 20 5 EGBDRO CC1(C)C[NH2+]CC[C@H]1NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000414982670 309112789 /nfs/dbraw/zinc/11/27/89/309112789.db2.gz YUWBGJJMWKNDGS-QGZVFWFLSA-N 1 0 329.400 3.333 20 5 EGBDRO CCc1ccccc1[C@H](N)C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000415063981 309117657 /nfs/dbraw/zinc/11/76/57/309117657.db2.gz JMQBOGPNBNZOPT-RUJXFNLJSA-N 1 0 325.412 3.460 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N(CC[NH3+])Cc1ccccc1 ZINC000415767259 309143482 /nfs/dbraw/zinc/14/34/82/309143482.db2.gz UAGJNIUYBXABSF-UHFFFAOYSA-N 1 0 342.399 3.150 20 5 EGBDRO CN(C)c1nccc(C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)n1 ZINC000417307143 309201042 /nfs/dbraw/zinc/20/10/42/309201042.db2.gz FKAMIXXTWQVLBM-QGZVFWFLSA-N 1 0 341.415 3.008 20 5 EGBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000418395231 309244925 /nfs/dbraw/zinc/24/49/25/309244925.db2.gz AFOJSAOFOHWARR-NVXWUHKLSA-N 1 0 348.447 3.032 20 5 EGBDRO O=C(CC[N@@H+]1CCSC[C@@H]1C1CCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000419363486 309265384 /nfs/dbraw/zinc/26/53/84/309265384.db2.gz CUFROSNQZJHQEU-MRXNPFEDSA-N 1 0 349.456 3.141 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NCCC[NH2+]C2CCCCC2)c1 ZINC000419901810 309273109 /nfs/dbraw/zinc/27/31/09/309273109.db2.gz UQXRUSILZRDTRH-UHFFFAOYSA-N 1 0 349.431 3.036 20 5 EGBDRO COC[C@]1(CNc2cc(C)c([N+](=O)[O-])cc2C(F)(F)F)CCC[NH2+]1 ZINC000420251376 309278125 /nfs/dbraw/zinc/27/81/25/309278125.db2.gz LLCHXGABNQSMGJ-CQSZACIVSA-N 1 0 347.337 3.103 20 5 EGBDRO C[NH+](C)C1CCC(Nc2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000420620925 309290550 /nfs/dbraw/zinc/29/05/50/309290550.db2.gz CEFDAWCSQWQKIM-UHFFFAOYSA-N 1 0 332.326 3.293 20 5 EGBDRO C[C@@]1(Cc2ccc(F)cc2)CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000420931751 309302102 /nfs/dbraw/zinc/30/21/02/309302102.db2.gz UECBWWXEILJFJV-KRWDZBQOSA-N 1 0 332.379 3.028 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000421740038 309337778 /nfs/dbraw/zinc/33/77/78/309337778.db2.gz GRJDJERRDUUGHY-UHFFFAOYSA-N 1 0 333.432 3.063 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000421746622 309338147 /nfs/dbraw/zinc/33/81/47/309338147.db2.gz DUATUJRQSZLDCD-DOMZBBRYSA-N 1 0 333.432 3.062 20 5 EGBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)Nc1ccc2c(c1)CCN2 ZINC000423204874 309390321 /nfs/dbraw/zinc/39/03/21/309390321.db2.gz ASBHJPGRLCOIEC-GFCCVEGCSA-N 1 0 340.383 3.392 20 5 EGBDRO [NH3+]CCC[C@@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000423973676 309423132 /nfs/dbraw/zinc/42/31/32/309423132.db2.gz RFSCKAGFMRUVPF-GOSISDBHSA-N 1 0 341.411 3.124 20 5 EGBDRO Cc1c(CC(=O)N[C@H](CCC[NH3+])c2ccccc2)cccc1[N+](=O)[O-] ZINC000423973630 309423207 /nfs/dbraw/zinc/42/32/07/309423207.db2.gz RACPJAFRGSUWMZ-QGZVFWFLSA-N 1 0 341.411 3.042 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(C2CC[NH2+]CC2)cs1 ZINC000423976896 309423379 /nfs/dbraw/zinc/42/33/79/309423379.db2.gz HAAYVBLYCCLKTL-UHFFFAOYSA-N 1 0 346.412 3.079 20 5 EGBDRO C[NH+](C)CCc1ccccc1NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000437915268 309803177 /nfs/dbraw/zinc/80/31/77/309803177.db2.gz LXNNLLORTVUELF-UHFFFAOYSA-N 1 0 328.372 3.343 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]Cc1ccncc1OCC(F)F ZINC000441355092 309869179 /nfs/dbraw/zinc/86/91/79/309869179.db2.gz XYAITCGFRRFAOT-HWKANZROSA-N 1 0 349.337 3.437 20 5 EGBDRO CCC1(CC)[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1OC ZINC000444697453 309926301 /nfs/dbraw/zinc/92/63/01/309926301.db2.gz KJXJYIMHVAGFRP-CABCVRRESA-N 1 0 332.404 3.154 20 5 EGBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CC2Cc3ccccc3C2)n1 ZINC000447579648 309983080 /nfs/dbraw/zinc/98/30/80/309983080.db2.gz LAEWENOGTWVSHG-ROUUACIJSA-N 1 0 340.427 3.280 20 5 EGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCC[C@@H]2CCCCO2)n1 ZINC000447604701 309984252 /nfs/dbraw/zinc/98/42/52/309984252.db2.gz CIGPOTYZZOSWNP-HRCADAONSA-N 1 0 336.436 3.214 20 5 EGBDRO COc1ccc(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])cc1OC ZINC000449061822 310033835 /nfs/dbraw/zinc/03/38/35/310033835.db2.gz HMTXEGALMWOOLZ-ZDUSSCGKSA-N 1 0 330.384 3.333 20 5 EGBDRO C[NH2+][C@H](CC(C)(C)C)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000449168523 310041862 /nfs/dbraw/zinc/04/18/62/310041862.db2.gz AYPZMZYAFUDOLW-MRXNPFEDSA-N 1 0 333.432 3.110 20 5 EGBDRO CCc1nn(C)c(CC)c1C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449207573 310044570 /nfs/dbraw/zinc/04/45/70/310044570.db2.gz NBKVYYMLKXAVEE-ZDUSSCGKSA-N 1 0 330.432 3.174 20 5 EGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)[C@@H](O)Cc1ccccc1 ZINC000449214906 310045102 /nfs/dbraw/zinc/04/51/02/310045102.db2.gz YWCSTZVCPIDEIZ-CLCXKQKWSA-N 1 0 328.412 3.108 20 5 EGBDRO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])C12CCOCC2 ZINC000449251968 310047531 /nfs/dbraw/zinc/04/75/31/310047531.db2.gz TUEDWFSNLVIKTQ-JCGIZDLHSA-N 1 0 348.443 3.090 20 5 EGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1COc2ccc(F)cc2C1 ZINC000449329409 310053986 /nfs/dbraw/zinc/05/39/86/310053986.db2.gz OCYVBNRLBJKZHK-LRDDRELGSA-N 1 0 330.359 3.258 20 5 EGBDRO C[C@H]([NH2+]Cc1cnn(CC(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000449348690 310055960 /nfs/dbraw/zinc/05/59/60/310055960.db2.gz NGQGHOVWMSLRST-JTQLQIEISA-N 1 0 328.294 3.204 20 5 EGBDRO Cn1cc(Cl)c(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])n1 ZINC000449476104 310065226 /nfs/dbraw/zinc/06/52/26/310065226.db2.gz GDLJGOLDBJMNSH-SWLSCSKDSA-N 1 0 348.834 3.483 20 5 EGBDRO COc1cccc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000449495120 310066612 /nfs/dbraw/zinc/06/66/12/310066612.db2.gz CEENCDQKEZCLCW-OAHLLOKOSA-N 1 0 327.384 3.378 20 5 EGBDRO CC[C@@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H](O)CC ZINC000449637273 310076605 /nfs/dbraw/zinc/07/66/05/310076605.db2.gz GFRKKTSTUGGFEE-CABCVRRESA-N 1 0 335.429 3.357 20 5 EGBDRO CC(C)(C)c1ccc(C(=O)NCCC[C@@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000449680474 310080519 /nfs/dbraw/zinc/08/05/19/310080519.db2.gz BSHZJGHGSODDEK-AWEZNQCLSA-N 1 0 333.432 3.154 20 5 EGBDRO CCCN(CC[NH+](C)C)C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000449973343 310096904 /nfs/dbraw/zinc/09/69/04/310096904.db2.gz QOMIKLSQMGUQMM-UHFFFAOYSA-N 1 0 347.337 3.027 20 5 EGBDRO CC(C)(C)[NH+]1CCC(Nc2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000450264901 310111826 /nfs/dbraw/zinc/11/18/26/310111826.db2.gz HMHGRCAQMOCBJX-UHFFFAOYSA-N 1 0 328.416 3.240 20 5 EGBDRO CCOc1cc(C[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)ccc1[N+](=O)[O-] ZINC000451418296 310177360 /nfs/dbraw/zinc/17/73/60/310177360.db2.gz IZVWDTVUGYCKER-INMHGKMJSA-N 1 0 334.416 3.119 20 5 EGBDRO CCO[C@H]1C[C@H]([NH2+]Cc2cc(OC)c(F)cc2[N+](=O)[O-])C12CCC2 ZINC000451474075 310180009 /nfs/dbraw/zinc/18/00/09/310180009.db2.gz ALTCLZJYFYNQSH-HOTGVXAUSA-N 1 0 338.379 3.180 20 5 EGBDRO C[C@@](O)(C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)C(F)(F)F ZINC000451545442 310184876 /nfs/dbraw/zinc/18/48/76/310184876.db2.gz HJSIZIDLFDBEHC-GXTWGEPZSA-N 1 0 332.322 3.088 20 5 EGBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCOCC1CCCC1 ZINC000453383241 310273993 /nfs/dbraw/zinc/27/39/93/310273993.db2.gz CFXPJNRZOPOGBF-AWEZNQCLSA-N 1 0 349.431 3.108 20 5 EGBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1CCOC(C)(C)C1 ZINC000453445293 310277534 /nfs/dbraw/zinc/27/75/34/310277534.db2.gz YHPRNTSGWUARCN-ZIAGYGMSSA-N 1 0 349.431 3.107 20 5 EGBDRO COC(=O)COc1ccc(C[NH2+][C@H](C)CC(C)(C)C)cc1[N+](=O)[O-] ZINC000453598900 310283577 /nfs/dbraw/zinc/28/35/77/310283577.db2.gz KDHFOIJSPHYZGH-GFCCVEGCSA-N 1 0 338.404 3.061 20 5 EGBDRO CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC000456175831 310392095 /nfs/dbraw/zinc/39/20/95/310392095.db2.gz IKEKPTDQYVAGDX-UHFFFAOYSA-N 1 0 348.447 3.474 20 5 EGBDRO CO[C@H]1C[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C[C@@H]1OC ZINC000488547955 311070853 /nfs/dbraw/zinc/07/08/53/311070853.db2.gz TVVABJAWFWLULS-HOTGVXAUSA-N 1 0 348.424 3.169 20 5 EGBDRO CCOc1cc(N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000488722045 311076357 /nfs/dbraw/zinc/07/63/57/311076357.db2.gz NFTYUNIQNHPTIL-GRDNDAEWSA-N 1 0 333.432 3.160 20 5 EGBDRO CC(C)(C)[NH+]1CCC(NC(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000491321801 311173394 /nfs/dbraw/zinc/17/33/94/311173394.db2.gz RDECXJBWSZOPJU-ALCCZGGFSA-N 1 0 349.406 3.126 20 5 EGBDRO COc1ccc(-c2ccc(CNC[C@@H](C)C[NH+](C)C)o2)c([N+](=O)[O-])c1 ZINC000491548733 311184177 /nfs/dbraw/zinc/18/41/77/311184177.db2.gz SSXCRAOPDQXWMJ-CYBMUJFWSA-N 1 0 347.415 3.151 20 5 EGBDRO C[NH+](C)C/C=C\C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000491887816 311195592 /nfs/dbraw/zinc/19/55/92/311195592.db2.gz UACUNXIHCAHIQG-DAXSKMNVSA-N 1 0 341.367 3.443 20 5 EGBDRO Cc1ccc(C[NH2+][C@@H]2CCN(c3ccccc3F)C2)cc1[N+](=O)[O-] ZINC000492133135 311219706 /nfs/dbraw/zinc/21/97/06/311219706.db2.gz RAYBCVSQMJXGOG-OAHLLOKOSA-N 1 0 329.375 3.411 20 5 EGBDRO COc1ccc(C[C@@](C)([NH3+])CNc2cc(C)ccc2[N+](=O)[O-])cc1 ZINC000500292249 311922909 /nfs/dbraw/zinc/92/29/09/311922909.db2.gz MWKMZBFHDFUFRR-GOSISDBHSA-N 1 0 329.400 3.284 20 5 EGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@](C)(O)C(C)C ZINC000504906308 312012037 /nfs/dbraw/zinc/01/20/37/312012037.db2.gz WGWCTHBWQKHBPF-CJNGLKHVSA-N 1 0 326.462 3.462 20 5 EGBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC000514927577 312254493 /nfs/dbraw/zinc/25/44/93/312254493.db2.gz PYBYECVEHISHOL-UHFFFAOYSA-N 1 0 333.432 3.356 20 5 EGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCCN3c4ccccc4C[C@H]3C2)c(F)c1 ZINC000515714431 312295121 /nfs/dbraw/zinc/29/51/21/312295121.db2.gz TUHBHQXCJNTZGW-KRWDZBQOSA-N 1 0 341.386 3.371 20 5 EGBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@@H]3[C@H]4CCO[C@@H]4C34CCC4)c2c1 ZINC000521107604 312532299 /nfs/dbraw/zinc/53/22/99/312532299.db2.gz ZKVOYYSXUOCPPA-OLMNPRSZSA-N 1 0 341.411 3.166 20 5 EGBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)CCCc1ccccc1 ZINC000535328546 314040455 /nfs/dbraw/zinc/04/04/55/314040455.db2.gz AHGUOFDOSGLBHP-OAHLLOKOSA-N 1 0 341.411 3.486 20 5 EGBDRO CCc1nn(C)c(NC[C@H](C(CC)CC)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000536685192 314138016 /nfs/dbraw/zinc/13/80/16/314138016.db2.gz SJHFPNOEJRKDSD-OAHLLOKOSA-N 1 0 337.468 3.203 20 5 EGBDRO COC[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccc(F)c(F)c1 ZINC000537095930 314161148 /nfs/dbraw/zinc/16/11/48/314161148.db2.gz XPDZCSSJOPGGOL-QGZVFWFLSA-N 1 0 336.338 3.393 20 5 EGBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC[C@H]1CCO[C@H](C)C1 ZINC000543409836 314626506 /nfs/dbraw/zinc/62/65/06/314626506.db2.gz HCQNPSQJGRXNAM-KFWWJZLASA-N 1 0 349.431 3.107 20 5 EGBDRO CCCc1cccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1 ZINC000547845170 314947308 /nfs/dbraw/zinc/94/73/08/314947308.db2.gz CZWNEDVCZDYTDT-UHFFFAOYSA-N 1 0 340.427 3.265 20 5 EGBDRO CCOc1ccc(NC(=O)C[N@H+](C)[C@@H]2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000548730526 315041160 /nfs/dbraw/zinc/04/11/60/315041160.db2.gz HIDPPXURAYZVTM-CZUORRHYSA-N 1 0 349.431 3.443 20 5 EGBDRO COCC[N@H+](C)CCCC1CCN(c2cccc(C)c2[N+](=O)[O-])CC1 ZINC000549142669 315078178 /nfs/dbraw/zinc/07/81/78/315078178.db2.gz WUALOZSOCGYBOV-UHFFFAOYSA-N 1 0 349.475 3.478 20 5 EGBDRO CC[C@@H](C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000551888087 315174972 /nfs/dbraw/zinc/17/49/72/315174972.db2.gz IVBNMAMRLAXCSG-MAUKXSAKSA-N 1 0 344.411 3.118 20 5 EGBDRO COc1ccc(OCC[N@H+](C)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000554849154 315352148 /nfs/dbraw/zinc/35/21/48/315352148.db2.gz VZLVZPPPDLOAJJ-UHFFFAOYSA-N 1 0 330.384 3.157 20 5 EGBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC1CC[NH+](CC)CC1 ZINC000562281546 315811837 /nfs/dbraw/zinc/81/18/37/315811837.db2.gz AAQWJUNBCHUGQT-QGZVFWFLSA-N 1 0 347.459 3.012 20 5 EGBDRO C[C@@H](C(=O)N1CC[N@H+](C)CC12CCCCC2)c1cccc([N+](=O)[O-])c1 ZINC000564030968 316104134 /nfs/dbraw/zinc/10/41/34/316104134.db2.gz DAZSVNDCHVPZBF-OAHLLOKOSA-N 1 0 345.443 3.175 20 5 EGBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCCc2ccccc21 ZINC000564066749 316108801 /nfs/dbraw/zinc/10/88/01/316108801.db2.gz DBBNLTJOULCNCD-NVXWUHKLSA-N 1 0 342.395 3.002 20 5 EGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]Cc2cc(F)ccc2F)n1 ZINC000564813369 316210305 /nfs/dbraw/zinc/21/03/05/316210305.db2.gz HXZKDLUCSRBLSC-HUUCEWRRSA-N 1 0 336.342 3.343 20 5 EGBDRO O=C(CC[NH2+][C@@H]1C[C@H]1C1CCCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000564862605 316221518 /nfs/dbraw/zinc/22/15/18/316221518.db2.gz FBQNVXSDYZNWEO-GOEBONIOSA-N 1 0 331.416 3.482 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](NC[C@H]2CC[N@@H+](C3CC3)C2)C(F)(F)F)cc1 ZINC000570638395 317085580 /nfs/dbraw/zinc/08/55/80/317085580.db2.gz XWLDHEVAJVQXLE-ABAIWWIYSA-N 1 0 343.349 3.272 20 5 EGBDRO COC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000570738879 317100154 /nfs/dbraw/zinc/10/01/54/317100154.db2.gz GNMRXRRYXUEUPB-MAUKXSAKSA-N 1 0 326.396 3.429 20 5 EGBDRO C[C@@H]1C[C@H](N[C@@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)CC[N@@H+]1C ZINC000571171709 317161801 /nfs/dbraw/zinc/16/18/01/317161801.db2.gz URKNIHABDDWZDL-QKCSRTOESA-N 1 0 331.338 3.271 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccc2cnn(C)c2c1 ZINC000571255669 317172048 /nfs/dbraw/zinc/17/20/48/317172048.db2.gz RRWFRSKGYSLOCK-UHFFFAOYSA-N 1 0 340.383 3.170 20 5 EGBDRO Cc1c(C[NH2+]C[C@@H](O)Cc2cccc(Cl)c2)cccc1[N+](=O)[O-] ZINC000571910319 317264604 /nfs/dbraw/zinc/26/46/04/317264604.db2.gz PZQKJJJESYSCNH-INIZCTEOSA-N 1 0 334.803 3.250 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCOCC(F)(F)C(F)F ZINC000572588038 317360316 /nfs/dbraw/zinc/36/03/16/317360316.db2.gz NMBWHOWYMZUBBF-JTQLQIEISA-N 1 0 338.301 3.471 20 5 EGBDRO O=[N+]([O-])c1cnc(N2CCC(CCC[NH+]3CCCC3)CC2)c(F)c1 ZINC000572610162 317364832 /nfs/dbraw/zinc/36/48/32/317364832.db2.gz HMSZABBYIIMXCM-UHFFFAOYSA-N 1 0 336.411 3.221 20 5 EGBDRO C[NH+](C)CCN(Cc1ccccn1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000573218063 317454234 /nfs/dbraw/zinc/45/42/34/317454234.db2.gz YUJSGKTUUVBTTA-UHFFFAOYSA-N 1 0 348.834 3.207 20 5 EGBDRO CCOC1(C[NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)CCCC1 ZINC000573621381 317509706 /nfs/dbraw/zinc/50/97/06/317509706.db2.gz XIZIHGQBGPVQJP-CQSZACIVSA-N 1 0 349.431 3.251 20 5 EGBDRO Cc1cccc(C)c1OC[C@H](O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173350403 323294893 /nfs/dbraw/zinc/29/48/93/323294893.db2.gz YYSXYMWYDNKIRR-CRAIPNDOSA-N 1 0 344.411 3.302 20 5 EGBDRO CCc1nn(C)c(NCC(C)(C)[NH2+][C@H](C)c2ccccc2)c1[N+](=O)[O-] ZINC000575086948 324413990 /nfs/dbraw/zinc/41/39/90/324413990.db2.gz DSLGGMKJPJSDEY-CYBMUJFWSA-N 1 0 345.447 3.432 20 5 EGBDRO CC1(C)C[C@H]([NH2+][C@H]2CCO[C@@]3(CCOC3)C2)c2cc([N+](=O)[O-])ccc21 ZINC000576094339 324544538 /nfs/dbraw/zinc/54/45/38/324544538.db2.gz QMOJLGKUPOXJMV-IXDGSTSKSA-N 1 0 346.427 3.245 20 5 EGBDRO Cc1c(NC(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)cccc1[N+](=O)[O-] ZINC000576959850 324717064 /nfs/dbraw/zinc/71/70/64/324717064.db2.gz WLHSORFHFGWZPB-MRXNPFEDSA-N 1 0 346.431 3.145 20 5 EGBDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000578944905 325038956 /nfs/dbraw/zinc/03/89/56/325038956.db2.gz BUPBIWDAFFPZJX-ZDUSSCGKSA-N 1 0 335.448 3.351 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](N[C@H]2CCN(C3CC3)C2)C(F)(F)F)cc1 ZINC000580439974 325251369 /nfs/dbraw/zinc/25/13/69/325251369.db2.gz ZFIQAEXXUCYQSU-SMDDNHRTSA-N 1 0 329.322 3.025 20 5 EGBDRO Cc1c(NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)cccc1[N+](=O)[O-] ZINC000581080790 325328153 /nfs/dbraw/zinc/32/81/53/325328153.db2.gz UYSIFUXPWCBTGW-CQSZACIVSA-N 1 0 349.456 3.059 20 5 EGBDRO COc1ccccc1OCC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000582496392 325446591 /nfs/dbraw/zinc/44/65/91/325446591.db2.gz CWSPYOXXFZQWLG-OAHLLOKOSA-N 1 0 328.368 3.259 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3CCC[C@@H]3CCO)o2)cc1 ZINC000189978108 455264832 /nfs/dbraw/zinc/26/48/32/455264832.db2.gz CPRRZANJKPCGNP-CXAGYDPISA-N 1 0 330.384 3.496 20 5 EGBDRO C[C@H]([NH2+]CCN1CCc2sccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000173344129 455269830 /nfs/dbraw/zinc/26/98/30/455269830.db2.gz OMKVJVVROUPKKU-ZDUSSCGKSA-N 1 0 331.441 3.365 20 5 EGBDRO C[NH+](C)Cc1ccccc1CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000006992416 453016664 /nfs/dbraw/zinc/01/66/64/453016664.db2.gz CEMACPPNMVEYKK-UHFFFAOYSA-N 1 0 347.802 3.240 20 5 EGBDRO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000012993651 453433971 /nfs/dbraw/zinc/43/39/71/453433971.db2.gz ISWMOUXYYFVQIB-OAHLLOKOSA-N 1 0 344.371 3.146 20 5 EGBDRO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)Nc1cccc([N+](=O)[O-])c1 ZINC000018177154 453645992 /nfs/dbraw/zinc/64/59/92/453645992.db2.gz AVMBHXPWDPJUDR-OAHLLOKOSA-N 1 0 344.371 3.146 20 5 EGBDRO C[NH+](C)[C@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000018177674 453646015 /nfs/dbraw/zinc/64/60/15/453646015.db2.gz IOYRLRRKRBIXRM-MRXNPFEDSA-N 1 0 328.372 3.019 20 5 EGBDRO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cccc(F)c1 ZINC000024107769 453725699 /nfs/dbraw/zinc/72/56/99/453725699.db2.gz XORBZTKQPPIEPJ-INIZCTEOSA-N 1 0 348.334 3.357 20 5 EGBDRO Cc1ccc(C(=O)NCC2([NH+](C)C)CCCCCC2)cc1[N+](=O)[O-] ZINC000025998892 453791200 /nfs/dbraw/zinc/79/12/00/453791200.db2.gz VRHJCYAKQRKLDV-UHFFFAOYSA-N 1 0 333.432 3.288 20 5 EGBDRO CC[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CCCCC1 ZINC000027286881 453814363 /nfs/dbraw/zinc/81/43/63/453814363.db2.gz FCFSHBCHMMCEDY-UHFFFAOYSA-N 1 0 331.416 3.139 20 5 EGBDRO COCC[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CCCC1 ZINC000052607540 453839469 /nfs/dbraw/zinc/83/94/69/453839469.db2.gz MPMOQTTYQHOZDU-UHFFFAOYSA-N 1 0 346.387 3.036 20 5 EGBDRO Cc1ccc(C[NH2+]Cc2ccnc(N3CCCC3)c2)cc1[N+](=O)[O-] ZINC000075761209 453925112 /nfs/dbraw/zinc/92/51/12/453925112.db2.gz YGBKHNMJOOTFJK-UHFFFAOYSA-N 1 0 326.400 3.188 20 5 EGBDRO COc1cc(C[NH+]2C[C@@H](C)[C@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000076110844 453965097 /nfs/dbraw/zinc/96/50/97/453965097.db2.gz LWGXWAOSEKWVTG-NXEZZACHSA-N 1 0 330.331 3.293 20 5 EGBDRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000068134797 454000637 /nfs/dbraw/zinc/00/06/37/454000637.db2.gz DNQBSZOXVMGAAV-QZEKMECESA-N 1 0 343.427 3.085 20 5 EGBDRO CC(C)[N@H+](C)Cc1cccc(CNC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000068271233 454012881 /nfs/dbraw/zinc/01/28/81/454012881.db2.gz XIJISCGAOMZCEV-UHFFFAOYSA-N 1 0 341.411 3.365 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000043149320 454045124 /nfs/dbraw/zinc/04/51/24/454045124.db2.gz BGWMPXAYDPCTJX-OAHLLOKOSA-N 1 0 348.428 3.389 20 5 EGBDRO C[C@H](NC(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000056400008 454056614 /nfs/dbraw/zinc/05/66/14/454056614.db2.gz AWNQPVCAEFDPQA-KKUMJFAQSA-N 1 0 348.447 3.218 20 5 EGBDRO Cc1c(NC(=O)NCC(C)(C)[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000043348366 454057849 /nfs/dbraw/zinc/05/78/49/454057849.db2.gz SMRDWDREYDGTJL-UHFFFAOYSA-N 1 0 334.420 3.289 20 5 EGBDRO C[NH+](C)[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1 ZINC000043467434 454063039 /nfs/dbraw/zinc/06/30/39/454063039.db2.gz CEVTUWPKGRQIHF-INIZCTEOSA-N 1 0 346.362 3.158 20 5 EGBDRO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1csc([N+](=O)[O-])c1 ZINC000044314688 454096585 /nfs/dbraw/zinc/09/65/85/454096585.db2.gz HDGPDZQFHGQMDR-HNNXBMFYSA-N 1 0 345.424 3.223 20 5 EGBDRO CCOc1ccc(NC(=O)C[N@H+](C(C)C)C2CCC2)c([N+](=O)[O-])c1 ZINC000077359147 454096768 /nfs/dbraw/zinc/09/67/68/454096768.db2.gz CEKCHVQJDKLXGF-UHFFFAOYSA-N 1 0 335.404 3.195 20 5 EGBDRO C[C@@H](NC(=O)NC[C@H](C)C[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000057039101 454097975 /nfs/dbraw/zinc/09/79/75/454097975.db2.gz PYYGDVFRKIECHH-LSDHHAIUSA-N 1 0 348.447 3.077 20 5 EGBDRO CC(C)[C@H](CNC(=O)c1csc([N+](=O)[O-])c1)[NH+]1CCC(C)CC1 ZINC000044520907 454104499 /nfs/dbraw/zinc/10/44/99/454104499.db2.gz YOZVJVVUNSBIGN-AWEZNQCLSA-N 1 0 339.461 3.143 20 5 EGBDRO O=[N+]([O-])c1c(F)cccc1NC1CC[NH+](Cc2ccccn2)CC1 ZINC000057139226 454104975 /nfs/dbraw/zinc/10/49/75/454104975.db2.gz UQBJPHJKPCMRJK-UHFFFAOYSA-N 1 0 330.363 3.205 20 5 EGBDRO CC(C)[N@@H+]1CCCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000069615002 454124717 /nfs/dbraw/zinc/12/47/17/454124717.db2.gz DFMOLHBEDKOYRC-UHFFFAOYSA-N 1 0 340.811 3.196 20 5 EGBDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000045950957 454200250 /nfs/dbraw/zinc/20/02/50/454200250.db2.gz CXWJUIOTULBCAJ-AWEZNQCLSA-N 1 0 334.420 3.371 20 5 EGBDRO CCCCC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C(C)C ZINC000046017991 454207573 /nfs/dbraw/zinc/20/75/73/454207573.db2.gz DWEPQYJKUGNUFO-UHFFFAOYSA-N 1 0 337.420 3.443 20 5 EGBDRO Cc1cccc(OCC[N@@H+](C)CCOc2cccc([N+](=O)[O-])c2)c1 ZINC000058563468 454214979 /nfs/dbraw/zinc/21/49/79/454214979.db2.gz YMZHTWWNKBNMND-UHFFFAOYSA-N 1 0 330.384 3.293 20 5 EGBDRO C[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H](CO)C(C)(C)C ZINC000089924769 454236090 /nfs/dbraw/zinc/23/60/90/454236090.db2.gz VEALDHCYSLSQGS-HNNXBMFYSA-N 1 0 333.388 3.089 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000119926529 454236330 /nfs/dbraw/zinc/23/63/30/454236330.db2.gz JQKIGEUPMKZHCV-UHFFFAOYSA-N 1 0 334.420 3.206 20 5 EGBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000046426974 454251222 /nfs/dbraw/zinc/25/12/22/454251222.db2.gz HJIGCCIPJIWYIJ-ZIAGYGMSSA-N 1 0 334.420 3.084 20 5 EGBDRO Cc1ccoc1C(=O)NCCC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000090060966 454270520 /nfs/dbraw/zinc/27/05/20/454270520.db2.gz GISUCNNILZEIBU-CQSZACIVSA-N 1 0 345.399 3.275 20 5 EGBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+](CC2CC2)C2CCCCC2)c1 ZINC000060563770 454302521 /nfs/dbraw/zinc/30/25/21/454302521.db2.gz XOFZYJGNLBJMGW-GOSISDBHSA-N 1 0 348.443 3.379 20 5 EGBDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000060624372 454307943 /nfs/dbraw/zinc/30/79/43/454307943.db2.gz AFZXWVQKCPNRLR-GFCCVEGCSA-N 1 0 341.839 3.489 20 5 EGBDRO COC1(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CCOCC1 ZINC000090651411 454332353 /nfs/dbraw/zinc/33/23/53/454332353.db2.gz MVGITIRMSWDHEY-RDJZCZTQSA-N 1 0 348.443 3.091 20 5 EGBDRO CC[C@H](NC(=O)N1CCC[N@@H+](C(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000090686700 454335604 /nfs/dbraw/zinc/33/56/04/454335604.db2.gz ZHLGIXZHGUFJMW-KRWDZBQOSA-N 1 0 348.447 3.172 20 5 EGBDRO Cc1c(NC(=O)N2CCC([NH+]3CCCCC3)CC2)cccc1[N+](=O)[O-] ZINC000047345837 454361121 /nfs/dbraw/zinc/36/11/21/454361121.db2.gz DKCAGADEBKLBFM-UHFFFAOYSA-N 1 0 346.431 3.385 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000097145768 454417079 /nfs/dbraw/zinc/41/70/79/454417079.db2.gz SYWSMZRROFKDSP-ZBFHGGJFSA-N 1 0 346.431 3.160 20 5 EGBDRO O=[N+]([O-])c1cccc(OCC[N@@H+](Cc2ccco2)C[C@@H]2CCCO2)c1 ZINC000064483051 454486731 /nfs/dbraw/zinc/48/67/31/454486731.db2.gz DXEFASBPWUURDG-SFHVURJKSA-N 1 0 346.383 3.248 20 5 EGBDRO CCCC[N@H+](C)CCNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000080223453 454552466 /nfs/dbraw/zinc/55/24/66/454552466.db2.gz YZFRRHHJELOEHU-UHFFFAOYSA-N 1 0 347.337 3.075 20 5 EGBDRO CS[C@H]1CCCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000134586947 454564495 /nfs/dbraw/zinc/56/44/95/454564495.db2.gz UGCLEMZJDHBGKS-HNNXBMFYSA-N 1 0 337.445 3.141 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000092598604 454592019 /nfs/dbraw/zinc/59/20/19/454592019.db2.gz UFNIGNKVWRUENA-INIZCTEOSA-N 1 0 347.459 3.228 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCC[C@H]([NH+]3CCCC3)C2)cc1OC(F)F ZINC000092612290 454594314 /nfs/dbraw/zinc/59/43/14/454594314.db2.gz FNPCGUUIJWRASI-ZDUSSCGKSA-N 1 0 341.358 3.261 20 5 EGBDRO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000051050737 454606473 /nfs/dbraw/zinc/60/64/73/454606473.db2.gz KRRPEVCQKAOUAH-RHSMWYFYSA-N 1 0 347.459 3.420 20 5 EGBDRO Cc1ccc(CN(CC[NH+](C)C)C(=O)c2cc(C)cc([N+](=O)[O-])c2)o1 ZINC000123185329 454611307 /nfs/dbraw/zinc/61/13/07/454611307.db2.gz GQGRYHRODMSJKM-UHFFFAOYSA-N 1 0 345.399 3.009 20 5 EGBDRO C[C@@H]1C[N@@H+](CCCNc2ccc3ncccc3c2[N+](=O)[O-])C[C@H](C)O1 ZINC000051649978 454633466 /nfs/dbraw/zinc/63/34/66/454633466.db2.gz WSQQXCSBHSILFZ-OKILXGFUSA-N 1 0 344.415 3.054 20 5 EGBDRO CCc1nn(C)c(NC[C@@H](c2ccco2)[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000092826880 454643471 /nfs/dbraw/zinc/64/34/71/454643471.db2.gz KABWJZHECGQREF-AWEZNQCLSA-N 1 0 347.419 3.123 20 5 EGBDRO CCCC[N@H+](C)CC1CCN(C(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000123650052 454660944 /nfs/dbraw/zinc/66/09/44/454660944.db2.gz MZWXMOAJVGMLSS-UHFFFAOYSA-N 1 0 347.459 3.487 20 5 EGBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)CCC1CC1 ZINC000135310876 454661133 /nfs/dbraw/zinc/66/11/33/454661133.db2.gz AHJIMMCBCIUFRY-JTQLQIEISA-N 1 0 325.796 3.307 20 5 EGBDRO CC[NH+](CC)CCOc1ccccc1CNc1ncccc1[N+](=O)[O-] ZINC000052212805 454661335 /nfs/dbraw/zinc/66/13/35/454661335.db2.gz JZHSPBHMHLPQBT-UHFFFAOYSA-N 1 0 344.415 3.323 20 5 EGBDRO CSC[C@H]1CCC[N@@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000135420491 454674238 /nfs/dbraw/zinc/67/42/38/454674238.db2.gz DUQYVNJSXLONJI-CYBMUJFWSA-N 1 0 337.445 3.059 20 5 EGBDRO O=[N+]([O-])c1ccn(CC[N@H+]2Cc3ccccc3[C@H](c3ccccc3)C2)n1 ZINC000176202751 454711412 /nfs/dbraw/zinc/71/14/12/454711412.db2.gz UUPRNJIHBMSRKC-IBGZPJMESA-N 1 0 348.406 3.439 20 5 EGBDRO CC(C)[N@H+](CC(N)=O)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000161674014 454713045 /nfs/dbraw/zinc/71/30/45/454713045.db2.gz OPYUSFWFDDZOLF-UHFFFAOYSA-N 1 0 333.413 3.019 20 5 EGBDRO COc1ccc(-c2ccc(C[N@H+](C)CC[C@@H](C)O)o2)c([N+](=O)[O-])c1 ZINC000093481532 454718378 /nfs/dbraw/zinc/71/83/78/454718378.db2.gz MTWGGBVIBZHOKY-GFCCVEGCSA-N 1 0 334.372 3.066 20 5 EGBDRO O=[N+]([O-])c1cc(Br)ccc1C[NH2+]C1(CO)CCCCC1 ZINC000162169154 454755684 /nfs/dbraw/zinc/75/56/84/454755684.db2.gz LHTTUBWMOYSTEX-UHFFFAOYSA-N 1 0 343.221 3.142 20 5 EGBDRO COc1ccc(CCC[N@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000136987474 454764270 /nfs/dbraw/zinc/76/42/70/454764270.db2.gz BSZFMBKXNQXPEX-IBGZPJMESA-N 1 0 344.411 3.201 20 5 EGBDRO C[C@H]1CCCC[C@H]1[NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000162328431 454767305 /nfs/dbraw/zinc/76/73/05/454767305.db2.gz YFGUYMAZEVNUNR-GXTWGEPZSA-N 1 0 333.388 3.061 20 5 EGBDRO CC[C@H]([NH2+]C[C@@H](O)c1ccc(OC)cc1)c1cccc([N+](=O)[O-])c1 ZINC000125445996 454822763 /nfs/dbraw/zinc/82/27/63/454822763.db2.gz FVIDTROFYXUGGL-ZWKOTPCHSA-N 1 0 330.384 3.378 20 5 EGBDRO CC[C@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000163165936 454827555 /nfs/dbraw/zinc/82/75/55/454827555.db2.gz HUXZFQPPAZDKRX-XJKSGUPXSA-N 1 0 331.416 3.042 20 5 EGBDRO CC[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000163265170 454834859 /nfs/dbraw/zinc/83/48/59/454834859.db2.gz WMLFDWCGANZDCS-JSGCOSHPSA-N 1 0 335.404 3.100 20 5 EGBDRO C[C@H](C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)[NH+]1CCCCCC1 ZINC000153979998 454853966 /nfs/dbraw/zinc/85/39/66/454853966.db2.gz DGEWKXLBWRROLW-OAHLLOKOSA-N 1 0 345.443 3.350 20 5 EGBDRO Cc1cc(C(=O)NCCC[N@@H+](C)Cc2ccccc2)cc([N+](=O)[O-])c1 ZINC000147418346 454864183 /nfs/dbraw/zinc/86/41/83/454864183.db2.gz LKSDBPTWQOPXJM-UHFFFAOYSA-N 1 0 341.411 3.155 20 5 EGBDRO CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000191369942 455481323 /nfs/dbraw/zinc/48/13/23/455481323.db2.gz VZGSVWGYILBBHL-JKSUJKDBSA-N 1 0 349.431 3.025 20 5 EGBDRO COCC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C1CCCC1 ZINC000164700602 454888243 /nfs/dbraw/zinc/88/82/43/454888243.db2.gz ZJZQHPOLTHGXNY-UHFFFAOYSA-N 1 0 349.431 3.123 20 5 EGBDRO COC[C@H]1CCC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000112988424 454909399 /nfs/dbraw/zinc/90/93/99/454909399.db2.gz KIOUMUWRVDKXPG-AWEZNQCLSA-N 1 0 345.399 3.151 20 5 EGBDRO CC[C@H]([NH2+][C@@H]1CCN(c2ncccc2F)C1)c1cccc([N+](=O)[O-])c1 ZINC000168198393 454926046 /nfs/dbraw/zinc/92/60/46/454926046.db2.gz KHKDWWCGXWFYAF-PBHICJAKSA-N 1 0 344.390 3.449 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000182330450 455489622 /nfs/dbraw/zinc/48/96/22/455489622.db2.gz CRJARYUYVYYSLI-AWEZNQCLSA-N 1 0 339.395 3.143 20 5 EGBDRO Cc1c(CC(=O)NCCC[NH+](C(C)C)C(C)C)cccc1[N+](=O)[O-] ZINC000127006853 454932156 /nfs/dbraw/zinc/93/21/56/454932156.db2.gz LUQNCEFPIHORSF-UHFFFAOYSA-N 1 0 335.448 3.071 20 5 EGBDRO Cc1ccc(NC(=O)CNc2ccccc2[N+](=O)[O-])c(C[NH+](C)C)c1 ZINC000113912052 454938218 /nfs/dbraw/zinc/93/82/18/454938218.db2.gz YPIHKSIPVZEMCH-UHFFFAOYSA-N 1 0 342.399 3.015 20 5 EGBDRO C[C@@H](C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)Cn1ccnc1 ZINC000171051837 455021995 /nfs/dbraw/zinc/02/19/95/455021995.db2.gz HAMXRDLHXXTGLD-AWEZNQCLSA-N 1 0 340.383 3.477 20 5 EGBDRO C[C@H](C1CC1)[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C1CC1 ZINC000128284618 455042931 /nfs/dbraw/zinc/04/29/31/455042931.db2.gz VMTBCIHCSSJTSL-LLVKDONJSA-N 1 0 335.379 3.325 20 5 EGBDRO COc1cc(C[N@H+](C)[C@H](C)C2CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000179936001 455102040 /nfs/dbraw/zinc/10/20/40/455102040.db2.gz NXYXVQVSURBUHT-SNVBAGLBSA-N 1 0 344.358 3.478 20 5 EGBDRO CC[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)C(C)(C)c1ccccc1 ZINC000180013137 455116390 /nfs/dbraw/zinc/11/63/90/455116390.db2.gz ACPYWZFJSDOFPO-QGZVFWFLSA-N 1 0 343.427 3.103 20 5 EGBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@@H]2CCCC[C@@H]2Cc2ccccc2)n1 ZINC000119035355 455121233 /nfs/dbraw/zinc/12/12/33/455121233.db2.gz STSXXFHVRKPSGI-IAGOWNOFSA-N 1 0 328.416 3.182 20 5 EGBDRO COc1cc(C[N@@H+]2CCC[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000180137373 455138672 /nfs/dbraw/zinc/13/86/72/455138672.db2.gz ZYIZUAMUSRLEIM-JTQLQIEISA-N 1 0 330.331 3.232 20 5 EGBDRO Cn1cc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c(-c2ccccc2)n1 ZINC000180233388 455150649 /nfs/dbraw/zinc/15/06/49/455150649.db2.gz GKJNSRNZXFBWKA-UHFFFAOYSA-N 1 0 336.395 3.328 20 5 EGBDRO O=[N+]([O-])c1ccc(OCCCN2CCC[N@@H+](C3CCCC3)CC2)cc1 ZINC000172585076 455163184 /nfs/dbraw/zinc/16/31/84/455163184.db2.gz UWCZYJWJROAEET-UHFFFAOYSA-N 1 0 347.459 3.314 20 5 EGBDRO Cc1ccc(OC[C@@H](O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000180451801 455172925 /nfs/dbraw/zinc/17/29/25/455172925.db2.gz CSUNZHMZYPLCKZ-YJBOKZPZSA-N 1 0 344.411 3.302 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H](C)[C@H]1C ZINC000172860807 455198221 /nfs/dbraw/zinc/19/82/21/455198221.db2.gz HVILLHFTRWVEFQ-CHWSQXEVSA-N 1 0 335.404 3.052 20 5 EGBDRO C[C@H](NC(=O)c1ccc(F)cc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181631496 455364984 /nfs/dbraw/zinc/36/49/84/455364984.db2.gz QERZNVDRTJYZNI-QWHCGFSZSA-N 1 0 349.406 3.117 20 5 EGBDRO CCOc1cccc2cc([C@H](C)[NH2+]CCn3cc([N+](=O)[O-])cn3)oc21 ZINC000182036175 455421505 /nfs/dbraw/zinc/42/15/05/455421505.db2.gz VIUNLRQHIKDSHY-LBPRGKRZSA-N 1 0 344.371 3.287 20 5 EGBDRO C[C@@H](CNC(=O)c1cccc(Cl)c1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000175500232 455454856 /nfs/dbraw/zinc/45/48/56/455454856.db2.gz KCQXXUJXWNOBKM-NEPJUHHUSA-N 1 0 339.823 3.098 20 5 EGBDRO COc1cccc([C@H](CNc2ccc([N+](=O)[O-])c(N)c2F)[NH+](C)C)c1 ZINC000266831059 455459561 /nfs/dbraw/zinc/45/95/61/455459561.db2.gz CQOMEVMOJIICDI-HNNXBMFYSA-N 1 0 348.378 3.040 20 5 EGBDRO Cc1ccc([C@@H](C)[N@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000182212880 455462748 /nfs/dbraw/zinc/46/27/48/455462748.db2.gz DTWCDIJSTSGGTN-WBVHZDCISA-N 1 0 344.411 3.336 20 5 EGBDRO COc1ccc(CN2CC[N@H+](C)C[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000246338429 455473016 /nfs/dbraw/zinc/47/30/16/455473016.db2.gz VESQGEPTNZELNA-GOSISDBHSA-N 1 0 341.411 3.092 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000182335206 455491687 /nfs/dbraw/zinc/49/16/87/455491687.db2.gz XAPRDAPTAJDMDR-CQSZACIVSA-N 1 0 327.384 3.217 20 5 EGBDRO COc1ccc(NC(=O)C[NH2+][C@H](C)c2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000182349739 455494658 /nfs/dbraw/zinc/49/46/58/455494658.db2.gz AUFJTHWWEVFSAK-CYBMUJFWSA-N 1 0 343.383 3.201 20 5 EGBDRO COc1cc(C[N@@H+]2CCC[C@@]2(CO)CC(C)C)c([N+](=O)[O-])cc1F ZINC000191672200 455508121 /nfs/dbraw/zinc/50/81/21/455508121.db2.gz IKPWUGNVPPJADZ-KRWDZBQOSA-N 1 0 340.395 3.116 20 5 EGBDRO Cc1cc(C)cc([C@H](C)[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000182416670 455509363 /nfs/dbraw/zinc/50/93/63/455509363.db2.gz FDCCAGCWKAKMKZ-DOTOQJQBSA-N 1 0 344.411 3.302 20 5 EGBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000191960369 455535578 /nfs/dbraw/zinc/53/55/78/455535578.db2.gz HMFKUXUUOPWKIE-INIZCTEOSA-N 1 0 332.400 3.291 20 5 EGBDRO CCCC(=O)N[C@H]1CCC[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000182735164 455577652 /nfs/dbraw/zinc/57/76/52/455577652.db2.gz MKQSZKQIOGLOAG-GJZGRUSLSA-N 1 0 333.432 3.345 20 5 EGBDRO CCCC(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000182735147 455578129 /nfs/dbraw/zinc/57/81/29/455578129.db2.gz MKQSZKQIOGLOAG-LSDHHAIUSA-N 1 0 333.432 3.345 20 5 EGBDRO Cc1cc(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])n(C)n1 ZINC000284119933 455638761 /nfs/dbraw/zinc/63/87/61/455638761.db2.gz CMXIPDASGWPLTB-PBHICJAKSA-N 1 0 328.416 3.138 20 5 EGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](CO)Cc1ccc(F)cc1 ZINC000271451603 455642657 /nfs/dbraw/zinc/64/26/57/455642657.db2.gz GEXOXYIADAFJCZ-KDOFPFPSSA-N 1 0 346.402 3.248 20 5 EGBDRO CSC[C@H]1CCC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000292368625 455643679 /nfs/dbraw/zinc/64/36/79/455643679.db2.gz ISBQYSYPFFRYPP-LBPRGKRZSA-N 1 0 348.428 3.220 20 5 EGBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)C1CC[NH+](C2CC2)CC1 ZINC000192569818 455643854 /nfs/dbraw/zinc/64/38/54/455643854.db2.gz GIRMYPJAVILJSN-UHFFFAOYSA-N 1 0 338.791 3.336 20 5 EGBDRO CCOc1cccc([C@@H](C)[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000271614955 455701287 /nfs/dbraw/zinc/70/12/87/455701287.db2.gz AKCKLPXAICLTSE-ACJLOTCBSA-N 1 0 330.384 3.378 20 5 EGBDRO C[N@@H+]1CCC[C@@]2(CCN(c3ccc4ncccc4c3[N+](=O)[O-])C2)C1 ZINC000292802914 455761672 /nfs/dbraw/zinc/76/16/72/455761672.db2.gz NLHQSORBJLVGSR-GOSISDBHSA-N 1 0 326.400 3.065 20 5 EGBDRO C[C@H](CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)C[NH+](C)C ZINC000293900747 455800527 /nfs/dbraw/zinc/80/05/27/455800527.db2.gz REMWZRJFWDQEBD-CYBMUJFWSA-N 1 0 337.423 3.021 20 5 EGBDRO Cn1cc(C[N@@H+]2CCCC3(CC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000186607894 455804622 /nfs/dbraw/zinc/80/46/22/455804622.db2.gz TXTTZJOCYGBWPR-UHFFFAOYSA-N 1 0 326.400 3.371 20 5 EGBDRO C[NH+](C)[C@H](CNc1cc(C(F)(F)F)ncc1[N+](=O)[O-])c1ccco1 ZINC000278297418 455810771 /nfs/dbraw/zinc/81/07/71/455810771.db2.gz GMUJIZHHLTZMKR-LLVKDONJSA-N 1 0 344.293 3.316 20 5 EGBDRO CNC(=O)c1ccc(C[N@H+](C)C/C=C\c2ccccc2[N+](=O)[O-])cc1 ZINC000255374530 455866464 /nfs/dbraw/zinc/86/64/64/455866464.db2.gz WPPSFKIEAKAQJT-ALCCZGGFSA-N 1 0 339.395 3.100 20 5 EGBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2C[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)n1 ZINC000285549462 455868118 /nfs/dbraw/zinc/86/81/18/455868118.db2.gz UNHUQYNTLMHNEA-GVDBMIGSSA-N 1 0 326.400 3.059 20 5 EGBDRO Nc1ccc(NC[C@@H](c2ccco2)[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000285557770 455869859 /nfs/dbraw/zinc/86/98/59/455869859.db2.gz IZOWEOOBEDMVMI-INIZCTEOSA-N 1 0 330.388 3.409 20 5 EGBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000272435606 455951343 /nfs/dbraw/zinc/95/13/43/455951343.db2.gz IBKALZZXWJUMGO-SUMWQHHRSA-N 1 0 345.443 3.059 20 5 EGBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000286043226 455966537 /nfs/dbraw/zinc/96/65/37/455966537.db2.gz AHCCCBBGOBSANQ-KSSFIOAISA-N 1 0 343.427 3.251 20 5 EGBDRO CC(C)c1ccc(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000188055127 455987032 /nfs/dbraw/zinc/98/70/32/455987032.db2.gz CGRUCOPKSBMIOI-NVXWUHKLSA-N 1 0 345.443 3.275 20 5 EGBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000286179262 455994602 /nfs/dbraw/zinc/99/46/02/455994602.db2.gz AJHZSRIKJDEQLP-GHMZBOCLSA-N 1 0 344.337 3.072 20 5 EGBDRO COc1ccc(NC(=O)C[N@H+](C)C2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000198202478 456000699 /nfs/dbraw/zinc/00/06/99/456000699.db2.gz MJCWTKFNQHUAHH-UHFFFAOYSA-N 1 0 335.404 3.052 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCSCC[C@@H]1C ZINC000286350140 456030205 /nfs/dbraw/zinc/03/02/05/456030205.db2.gz XTGKXXCTGRUTTQ-ZDUSSCGKSA-N 1 0 337.445 3.059 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCC[C@H](O)C3)o2)c(Cl)c1 ZINC000270995924 456091009 /nfs/dbraw/zinc/09/10/09/456091009.db2.gz JSUHJFYFRKYZNR-LBPRGKRZSA-N 1 0 336.775 3.465 20 5 EGBDRO C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1=CC[N@H+](C)CC1 ZINC000272916453 456111565 /nfs/dbraw/zinc/11/15/65/456111565.db2.gz FUHUYRULPLGNIE-SNVBAGLBSA-N 1 0 338.795 3.020 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(c2cc(C)n[nH]2)CC1 ZINC000272975832 456131118 /nfs/dbraw/zinc/13/11/18/456131118.db2.gz PRNHEXXPDMXNNK-UHFFFAOYSA-N 1 0 330.388 3.015 20 5 EGBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H](O)c2ccc(C)o2)cc1[N+](=O)[O-] ZINC000271133998 456136678 /nfs/dbraw/zinc/13/66/78/456136678.db2.gz MMIUMVTXEAUMIJ-IUODEOHRSA-N 1 0 334.372 3.279 20 5 EGBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)c1ccc(Br)cc1[N+](=O)[O-] ZINC000301519518 456136756 /nfs/dbraw/zinc/13/67/56/456136756.db2.gz FBHYDMJICHKFHW-CMPLNLGQSA-N 1 0 342.237 3.134 20 5 EGBDRO C[C@@H]1C[NH+](CCCCNc2ccc(F)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000301543614 456142191 /nfs/dbraw/zinc/14/21/91/456142191.db2.gz DEALPMOKYLHQMX-CHWSQXEVSA-N 1 0 325.384 3.035 20 5 EGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC(C)(C)CCO ZINC000271178411 456156355 /nfs/dbraw/zinc/15/63/55/456156355.db2.gz VLYRKTVTLNDDQH-CYBMUJFWSA-N 1 0 326.462 3.464 20 5 EGBDRO Cc1ccc(NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000273065927 456165990 /nfs/dbraw/zinc/16/59/90/456165990.db2.gz DSBMGXZLIZXVGK-QGZVFWFLSA-N 1 0 341.411 3.082 20 5 EGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC[C@@H](C)CCO ZINC000297388510 456206586 /nfs/dbraw/zinc/20/65/86/456206586.db2.gz RQLPXFQEQIBQOW-KGLIPLIRSA-N 1 0 326.462 3.464 20 5 EGBDRO COCCOc1ccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000237152292 456239176 /nfs/dbraw/zinc/23/91/76/456239176.db2.gz YYZLOGFTXCUYLW-UHFFFAOYSA-N 1 0 330.384 3.218 20 5 EGBDRO CC(C)[NH+]1CCN(c2cccc(Nc3ncccc3[N+](=O)[O-])c2)CC1 ZINC000301925017 456252275 /nfs/dbraw/zinc/25/22/75/456252275.db2.gz GRRQRMCXHZUPDH-UHFFFAOYSA-N 1 0 341.415 3.264 20 5 EGBDRO Cc1cc(N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000302036785 456273265 /nfs/dbraw/zinc/27/32/65/456273265.db2.gz UZKOEWKIPGMAPO-HOCLYGCPSA-N 1 0 340.427 3.372 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H]1C(C)C ZINC000297741637 456284823 /nfs/dbraw/zinc/28/48/23/456284823.db2.gz CMYTYGDWRJMNOR-HNNXBMFYSA-N 1 0 335.404 3.052 20 5 EGBDRO CCc1nn(C)cc1CNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000302108241 456289890 /nfs/dbraw/zinc/28/98/90/456289890.db2.gz YHEIPMKHFCMZJE-UHFFFAOYSA-N 1 0 325.372 3.359 20 5 EGBDRO Cc1cc([N+](=O)[O-])cnc1N[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000302152976 456300158 /nfs/dbraw/zinc/30/01/58/456300158.db2.gz CLHAYQRECCZDNB-YOEHRIQHSA-N 1 0 326.400 3.231 20 5 EGBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342943371 456328783 /nfs/dbraw/zinc/32/87/83/456328783.db2.gz CEHGDCFDQRPADR-ZDUSSCGKSA-N 1 0 344.415 3.070 20 5 EGBDRO O=[N+]([O-])c1ccc(NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000302784692 456399499 /nfs/dbraw/zinc/39/94/99/456399499.db2.gz MAGGQUXCYZHTPZ-LJQANCHMSA-N 1 0 341.411 3.298 20 5 EGBDRO C[N@@H+]1CC[C@H]2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)[C@H]2C1 ZINC000352985823 456428619 /nfs/dbraw/zinc/42/86/19/456428619.db2.gz LLLRZEDGVBWMFJ-KSSFIOAISA-N 1 0 341.411 3.381 20 5 EGBDRO C[N@H+](CCC(=O)Nc1ccccc1F)CCc1cccc([N+](=O)[O-])c1 ZINC000282341261 456483130 /nfs/dbraw/zinc/48/31/30/456483130.db2.gz BVQBMKFGXVXIIH-UHFFFAOYSA-N 1 0 345.374 3.237 20 5 EGBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000290901189 456462630 /nfs/dbraw/zinc/46/26/30/456462630.db2.gz HUVSENRFVAPQLN-GFCCVEGCSA-N 1 0 339.461 3.167 20 5 EGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CC[C@@](CO)(c2ccccc2)C1 ZINC000291182757 456557558 /nfs/dbraw/zinc/55/75/58/456557558.db2.gz FVHVARXLODVIRF-GOSISDBHSA-N 1 0 346.814 3.384 20 5 EGBDRO Cc1ccncc1N1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000340598843 456558043 /nfs/dbraw/zinc/55/80/43/456558043.db2.gz BCJNGQBUUBTFIF-UHFFFAOYSA-N 1 0 346.818 3.274 20 5 EGBDRO Cc1nc(N[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)ccc1[N+](=O)[O-] ZINC000310372894 456580957 /nfs/dbraw/zinc/58/09/57/456580957.db2.gz OJOMLFHIASSPPF-HOCLYGCPSA-N 1 0 326.400 3.373 20 5 EGBDRO COC(=O)C[C@@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000314970324 456604048 /nfs/dbraw/zinc/60/40/48/456604048.db2.gz CPSAUPJKWJYOJK-LBPRGKRZSA-N 1 0 326.780 3.166 20 5 EGBDRO O=C(Nc1ccccc1)N1CC[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000282881764 456654082 /nfs/dbraw/zinc/65/40/82/456654082.db2.gz CSEKEDGMNXJQEN-CQSZACIVSA-N 1 0 346.412 3.052 20 5 EGBDRO CC(C)C[C@H]1OCCC[C@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000299313782 456655426 /nfs/dbraw/zinc/65/54/26/456655426.db2.gz NNRXHONUYSQMIP-NVXWUHKLSA-N 1 0 349.431 3.107 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]C2CCN(c3cccnn3)CC2)cc1[N+](=O)[O-] ZINC000277063388 456668675 /nfs/dbraw/zinc/66/86/75/456668675.db2.gz IEPMBFUFMYSOCC-AWEZNQCLSA-N 1 0 341.415 3.013 20 5 EGBDRO CC[NH+]1CCC(Nc2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000299395940 456679767 /nfs/dbraw/zinc/67/97/67/456679767.db2.gz UIPWGGGPFKWLPX-UHFFFAOYSA-N 1 0 341.415 3.256 20 5 EGBDRO CC[NH+](CC)CCC[C@H](C)Nc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000325567458 456685476 /nfs/dbraw/zinc/68/54/76/456685476.db2.gz UZHFAOMFJYPJEF-ZDUSSCGKSA-N 1 0 331.420 3.460 20 5 EGBDRO CC1CC[NH+](C[C@H]2CCCN(C(=O)c3ccccc3[N+](=O)[O-])C2)CC1 ZINC000299464259 456701711 /nfs/dbraw/zinc/70/17/11/456701711.db2.gz DPESKQMUOWQCAN-MRXNPFEDSA-N 1 0 345.443 3.179 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](C[C@@H]3CCCC(F)(F)C3)C2)nc1 ZINC000338272455 456742694 /nfs/dbraw/zinc/74/26/94/456742694.db2.gz CNBLGSIVYRMYNE-CHWSQXEVSA-N 1 0 340.374 3.302 20 5 EGBDRO C[N@H+](Cc1ccccc1)C1CN(c2ccc([N+](=O)[O-])c3cnccc32)C1 ZINC000343617988 456747949 /nfs/dbraw/zinc/74/79/49/456747949.db2.gz BNTAOONVMJFXTK-UHFFFAOYSA-N 1 0 348.406 3.464 20 5 EGBDRO CC(C)CC[N@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C1CC1 ZINC000343681880 456766442 /nfs/dbraw/zinc/76/64/42/456766442.db2.gz GRCLSMZARWYQTM-UHFFFAOYSA-N 1 0 347.415 3.403 20 5 EGBDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000283419918 456777423 /nfs/dbraw/zinc/77/74/23/456777423.db2.gz GOYAGDUESTUKIX-OUJBWJOFSA-N 1 0 325.796 3.353 20 5 EGBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C1Cc2ccccc2C1 ZINC000283494435 456791538 /nfs/dbraw/zinc/79/15/38/456791538.db2.gz LDSDRENOICNTAA-UHFFFAOYSA-N 1 0 339.395 3.023 20 5 EGBDRO Cc1c(C[N@@H+]2CC[C@@](CO)(c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000291900761 456793774 /nfs/dbraw/zinc/79/37/74/456793774.db2.gz RDRXUQXLSXZBOC-LJQANCHMSA-N 1 0 326.396 3.039 20 5 EGBDRO COc1ccccc1[C@@H](CNc1ccc([N+](=O)[O-])c(N)c1F)[NH+](C)C ZINC000348740427 456835696 /nfs/dbraw/zinc/83/56/96/456835696.db2.gz FGUUGOJXWVKZHG-CQSZACIVSA-N 1 0 348.378 3.040 20 5 EGBDRO COCCOc1ccc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000338959575 456878146 /nfs/dbraw/zinc/87/81/46/456878146.db2.gz FDHUBMLGAZPEKX-UHFFFAOYSA-N 1 0 344.411 3.295 20 5 EGBDRO Cc1cc(NC[C@]2([NH+](C)C)CCSC2)c2cccc([N+](=O)[O-])c2n1 ZINC000345085098 456920537 /nfs/dbraw/zinc/92/05/37/456920537.db2.gz ZTZRVHROMLWSQU-QGZVFWFLSA-N 1 0 346.456 3.301 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC000353903809 456959331 /nfs/dbraw/zinc/95/93/31/456959331.db2.gz HUZCRZUZEGMQGH-OLZOCXBDSA-N 1 0 334.420 3.104 20 5 EGBDRO CC(C)c1ccc(C[NH+]2CCC(O[C@@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000354007806 457003337 /nfs/dbraw/zinc/00/33/37/457003337.db2.gz ANOVUMKHQFTFBV-QGZVFWFLSA-N 1 0 348.443 3.488 20 5 EGBDRO C[N@@H+]1CCN(Cc2c(F)cccc2[N+](=O)[O-])C[C@H]1Cc1ccccc1 ZINC000341957766 457024938 /nfs/dbraw/zinc/02/49/38/457024938.db2.gz CBMDQQIMOXANHI-MRXNPFEDSA-N 1 0 343.402 3.093 20 5 EGBDRO CC[N@@H+]1CC[C@H](N(C)Cc2cc(OC)c(F)cc2[N+](=O)[O-])C[C@H]1C ZINC000330926563 457105555 /nfs/dbraw/zinc/10/55/55/457105555.db2.gz IWBFBKFXQFNPID-OCCSQVGLSA-N 1 0 339.411 3.047 20 5 EGBDRO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])c2ncccc12)c1ccco1 ZINC000346696157 457116303 /nfs/dbraw/zinc/11/63/03/457116303.db2.gz MESJGLBZMFMNLW-OAHLLOKOSA-N 1 0 326.356 3.451 20 5 EGBDRO C[C@@](CO)(C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000342209654 457170243 /nfs/dbraw/zinc/17/02/43/457170243.db2.gz LPKVIRGXMVJNAG-XSBJJCPUSA-N 1 0 326.396 3.148 20 5 EGBDRO Cc1ccc(NC(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000331428679 457183391 /nfs/dbraw/zinc/18/33/91/457183391.db2.gz RBFJIHOKPJZPKR-GOEBONIOSA-N 1 0 346.431 3.289 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CC[C@@H](CC4CC4)C3)n2)cc1 ZINC000339686022 457213460 /nfs/dbraw/zinc/21/34/60/457213460.db2.gz KCZQSFUDPLBXDR-ZDUSSCGKSA-N 1 0 328.372 3.267 20 5 EGBDRO C[NH+](C)Cc1ccc(CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000351667932 457310829 /nfs/dbraw/zinc/31/08/29/457310829.db2.gz OIRXNTIPGHQZSX-UHFFFAOYSA-N 1 0 346.362 3.117 20 5 EGBDRO CC(C)(C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000347354257 457370470 /nfs/dbraw/zinc/37/04/70/457370470.db2.gz GFGHZRRBFCVNSX-KRWDZBQOSA-N 1 0 345.443 3.006 20 5 EGBDRO COc1cc(NCc2ccccc2OCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000357224778 457383835 /nfs/dbraw/zinc/38/38/35/457383835.db2.gz AYINYARNUNMGDU-UHFFFAOYSA-N 1 0 345.399 3.156 20 5 EGBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000352471774 457394376 /nfs/dbraw/zinc/39/43/76/457394376.db2.gz XWIWXPJAJRLJJM-AWEZNQCLSA-N 1 0 333.432 3.180 20 5 EGBDRO CC[NH+](CC)CCC[C@@H](C)Nc1ncnc2cccc([N+](=O)[O-])c21 ZINC000347401996 457404295 /nfs/dbraw/zinc/40/42/95/457404295.db2.gz FMVRADVGHXAOLD-CYBMUJFWSA-N 1 0 331.420 3.460 20 5 EGBDRO CN(CCc1ccccc1[N+](=O)[O-])Cc1nc2cccnc2s1 ZINC000352563105 457469114 /nfs/dbraw/zinc/46/91/14/457469114.db2.gz OOHPTURGUQOOAY-UHFFFAOYSA-N 1 0 328.397 3.274 20 5 EGBDRO CC1CCC(N(C)C(=O)CN(C)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000352570297 457473274 /nfs/dbraw/zinc/47/32/74/457473274.db2.gz FSWZJTBBHIDUJC-UHFFFAOYSA-N 1 0 347.459 3.106 20 5 EGBDRO O=[N+]([O-])c1cccc(C[NH+]2CCC(CCCn3ccnc3)CC2)c1 ZINC000361045971 457539766 /nfs/dbraw/zinc/53/97/66/457539766.db2.gz NASBUYDECKMXLI-UHFFFAOYSA-N 1 0 328.416 3.484 20 5 EGBDRO C[N@H+](Cc1ccc(Br)cc1[N+](=O)[O-])[C@H]1CCSC1 ZINC000425424473 457547967 /nfs/dbraw/zinc/54/79/67/457547967.db2.gz SEOITXAAUDSAQF-NSHDSACASA-N 1 0 331.235 3.295 20 5 EGBDRO CCOc1ccc(NC(=O)C[N@@H+]2[C@@H](C)CC[C@@H]2CC)c([N+](=O)[O-])c1 ZINC000357526903 457579621 /nfs/dbraw/zinc/57/96/21/457579621.db2.gz GXUSVQGMTXNTCZ-STQMWFEESA-N 1 0 335.404 3.195 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)cc1 ZINC000425558910 457600073 /nfs/dbraw/zinc/60/00/73/457600073.db2.gz YISXIOFLKTYNGI-SFHVURJKSA-N 1 0 330.428 3.418 20 5 EGBDRO CCc1cnccc1[C@H](C)[NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000361134615 457605149 /nfs/dbraw/zinc/60/51/49/457605149.db2.gz HJMXDGGBSGVYHF-STQMWFEESA-N 1 0 342.399 3.230 20 5 EGBDRO C[C@@H]([NH2+][C@H]1CC(=O)N(c2ccccc2F)C1)c1cccc([N+](=O)[O-])c1 ZINC000361185818 457636476 /nfs/dbraw/zinc/63/64/76/457636476.db2.gz IRQCQDNMRGQGSM-OCCSQVGLSA-N 1 0 343.358 3.190 20 5 EGBDRO O=[N+]([O-])c1cccc(N2CC[NH+](CCCCC3CCOCC3)CC2)c1 ZINC000410320003 457637263 /nfs/dbraw/zinc/63/72/63/457637263.db2.gz POMOAMDIUBSKKJ-UHFFFAOYSA-N 1 0 347.459 3.314 20 5 EGBDRO COC1CCN(C(C)(C)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000361215740 457649539 /nfs/dbraw/zinc/64/95/39/457649539.db2.gz JZYHLWIYRQNBDD-HNNXBMFYSA-N 1 0 349.475 3.443 20 5 EGBDRO CC1(C)C[C@H]([NH2+][C@@H]2CCn3ccnc3C2)c2cc([N+](=O)[O-])ccc21 ZINC000433064482 457657615 /nfs/dbraw/zinc/65/76/15/457657615.db2.gz AZBPHBANXRKJGL-WBMJQRKESA-N 1 0 326.400 3.118 20 5 EGBDRO COc1cc(CNc2cc3c(c[nH+]2)CCCC3)c([N+](=O)[O-])cc1OC ZINC000361251060 457667238 /nfs/dbraw/zinc/66/72/38/457667238.db2.gz LFENVIZAKKXCFB-UHFFFAOYSA-N 1 0 343.383 3.498 20 5 EGBDRO COc1ccc(NC(=O)C[N@@H+]2C[C@H](C)CCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000357746198 457676317 /nfs/dbraw/zinc/67/63/17/457676317.db2.gz OZWNKJYODWFTBF-OLZOCXBDSA-N 1 0 335.404 3.052 20 5 EGBDRO CCO[C@@H]1COCC[C@@H]1[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433235132 457787206 /nfs/dbraw/zinc/78/72/06/457787206.db2.gz MJFKOLVRBWNQTB-YESZJQIVSA-N 1 0 334.416 3.101 20 5 EGBDRO CC(C)O[C@@H]1C[C@H]([NH2+][C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1(C)C ZINC000361553841 457793614 /nfs/dbraw/zinc/79/36/14/457793614.db2.gz YCTKUASMUYJRAH-UHOFOFEASA-N 1 0 349.431 3.104 20 5 EGBDRO C[C@H](CCN1CCOCC1)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433281106 457797129 /nfs/dbraw/zinc/79/71/29/457797129.db2.gz HJDXZADDTWBSKU-KDOFPFPSSA-N 1 0 347.459 3.018 20 5 EGBDRO CC1(C)C[C@H]([NH2+][C@@H]2CCc3c[nH]nc3C2)c2cc([N+](=O)[O-])ccc21 ZINC000433281616 457799232 /nfs/dbraw/zinc/79/92/32/457799232.db2.gz JXRPBDGVKFGOBW-PXAZEXFGSA-N 1 0 326.400 3.187 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N(CC[NH+](C)C)Cc2ccsc2)c1 ZINC000411116769 457805451 /nfs/dbraw/zinc/80/54/51/457805451.db2.gz XCSVUHDMIALLLW-UHFFFAOYSA-N 1 0 347.440 3.169 20 5 EGBDRO CCC(=O)c1ccc(N2CCC[C@@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000366430143 457811934 /nfs/dbraw/zinc/81/19/34/457811934.db2.gz HPMCZPVDXGSMDJ-OAHLLOKOSA-N 1 0 331.416 3.252 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@@H]1CCC[C@H](C)C1 ZINC000411175321 457820789 /nfs/dbraw/zinc/82/07/89/457820789.db2.gz QIBDEDMUBFUFEU-UONOGXRCSA-N 1 0 349.431 3.443 20 5 EGBDRO Cc1c(CNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cccc1[N+](=O)[O-] ZINC000358285246 457911156 /nfs/dbraw/zinc/91/11/56/457911156.db2.gz CUDKYMBNEZLVQM-UHFFFAOYSA-N 1 0 348.447 3.012 20 5 EGBDRO Cc1c([C@@H](C)[NH2+][C@@H]2CCOC3(CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000358312796 457926146 /nfs/dbraw/zinc/92/61/46/457926146.db2.gz CJQOOUVRPILZRE-HUUCEWRRSA-N 1 0 334.416 3.282 20 5 EGBDRO CC[C@@H]1CCCC[C@H]1[N@H+](C)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000444666640 457933247 /nfs/dbraw/zinc/93/32/47/457933247.db2.gz AGYUHELLDHKZLZ-CZUORRHYSA-N 1 0 349.431 3.443 20 5 EGBDRO C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1COc2ccccc21 ZINC000444674022 457935726 /nfs/dbraw/zinc/93/57/26/457935726.db2.gz JHQMJLOCTDGXAK-SMDDNHRTSA-N 1 0 338.367 3.125 20 5 EGBDRO COCC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1CC[C@@H](C)C1 ZINC000444713773 457952330 /nfs/dbraw/zinc/95/23/30/457952330.db2.gz ZTXZZZWUZUJENK-OLZOCXBDSA-N 1 0 332.404 3.108 20 5 EGBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000358378086 457964131 /nfs/dbraw/zinc/96/41/31/457964131.db2.gz NHNYNWYOMNQADQ-GFCCVEGCSA-N 1 0 349.456 3.087 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(-c2ncc[nH]2)cc1 ZINC000427455639 457989458 /nfs/dbraw/zinc/98/94/58/457989458.db2.gz DEQRFPICQLQMOY-UHFFFAOYSA-N 1 0 338.323 3.246 20 5 EGBDRO C[C@@H]([NH3+])[C@@H]1CCCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000435381924 458131207 /nfs/dbraw/zinc/13/12/07/458131207.db2.gz YQQBUZUJYNOARS-TZMCWYRMSA-N 1 0 346.456 3.278 20 5 EGBDRO C[C@@H]1C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H](C)[C@H](C)O1 ZINC000446077234 458141751 /nfs/dbraw/zinc/14/17/51/458141751.db2.gz DHNRLQWCWCXSNJ-RDBSUJKOSA-N 1 0 345.399 3.290 20 5 EGBDRO CCN(CCC[NH+](CC)CC)C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412280074 458152911 /nfs/dbraw/zinc/15/29/11/458152911.db2.gz LGZFELIWGLYFNJ-ZWKOTPCHSA-N 1 0 347.459 3.279 20 5 EGBDRO Cc1cc(N(C)CCC[NH+]2CCCC2)c2cccc([N+](=O)[O-])c2n1 ZINC000358692648 458154965 /nfs/dbraw/zinc/15/49/65/458154965.db2.gz YHDAZEZKSOWONV-UHFFFAOYSA-N 1 0 328.416 3.374 20 5 EGBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000428500118 458158635 /nfs/dbraw/zinc/15/86/35/458158635.db2.gz KSMUQOAYLVNGJS-AWEZNQCLSA-N 1 0 335.448 3.370 20 5 EGBDRO Cc1cccc(NC[C@@H]2CCCN2C(=O)c2csc([N+](=O)[O-])c2)n1 ZINC000369496083 458236986 /nfs/dbraw/zinc/23/69/86/458236986.db2.gz IFXMINQWIGJAKV-ZDUSSCGKSA-N 1 0 346.412 3.076 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2c[nH]nc2-c2ccsc2)cc1 ZINC000436227562 458272596 /nfs/dbraw/zinc/27/25/96/458272596.db2.gz MFYLVHFDEAKXSU-UHFFFAOYSA-N 1 0 328.397 3.379 20 5 EGBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000436382751 458297667 /nfs/dbraw/zinc/29/76/67/458297667.db2.gz CMCZXMUZUSZJMB-JTQLQIEISA-N 1 0 344.337 3.437 20 5 EGBDRO CC(C)[N@@H+]1C[C@@H](C)[C@H](Nc2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000436415200 458302109 /nfs/dbraw/zinc/30/21/09/458302109.db2.gz WNHRBCWYISFTNV-MWLCHTKSSA-N 1 0 332.326 3.149 20 5 EGBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000436435753 458304647 /nfs/dbraw/zinc/30/46/47/458304647.db2.gz YLEGMXXHDAAORM-LLVKDONJSA-N 1 0 344.337 3.437 20 5 EGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCCOc2ccccc2)n1 ZINC000447532988 458306608 /nfs/dbraw/zinc/30/66/08/458306608.db2.gz YFMULLMVBKNMOT-IAGOWNOFSA-N 1 0 344.415 3.334 20 5 EGBDRO CCOCCC1(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000447590020 458317488 /nfs/dbraw/zinc/31/74/88/458317488.db2.gz ZSONOKBIUJXWKS-LSDHHAIUSA-N 1 0 336.436 3.071 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000376589686 458346058 /nfs/dbraw/zinc/34/60/58/458346058.db2.gz RRTUBHZLFIAVDC-HUUCEWRRSA-N 1 0 346.431 3.302 20 5 EGBDRO Cc1nc(N(C)C2CC[NH+](CCC(F)(F)F)CC2)ccc1[N+](=O)[O-] ZINC000450948775 458460526 /nfs/dbraw/zinc/46/05/26/458460526.db2.gz HNQMJVDKGQESFK-UHFFFAOYSA-N 1 0 346.353 3.151 20 5 EGBDRO CO[C@H]1C[C@H]([NH2+]Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C12CCC2 ZINC000459738276 458464013 /nfs/dbraw/zinc/46/40/13/458464013.db2.gz AFSXDESBKJIOJX-HOTGVXAUSA-N 1 0 343.383 3.297 20 5 EGBDRO CC[NH2+]CC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)CC1 ZINC000430585339 458466773 /nfs/dbraw/zinc/46/67/73/458466773.db2.gz RVDWPLVTBPBNQC-UHFFFAOYSA-N 1 0 335.448 3.204 20 5 EGBDRO CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000430825015 458495543 /nfs/dbraw/zinc/49/55/43/458495543.db2.gz YKGZTIWMVNMGOK-TZMCWYRMSA-N 1 0 339.461 3.287 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H](CO)Cc1ccc(C)cc1 ZINC000468610029 458528321 /nfs/dbraw/zinc/52/83/21/458528321.db2.gz RSMYNXWSCKQHPU-OUQXZNHLSA-N 1 0 340.423 3.500 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC(=O)N(C)C1CCCCC1 ZINC000468740319 458533316 /nfs/dbraw/zinc/53/33/16/458533316.db2.gz WFVBQYORYAQYMO-PTNGSMBKSA-N 1 0 345.443 3.379 20 5 EGBDRO C[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CCC(C)(C)CC1 ZINC000438485221 458584406 /nfs/dbraw/zinc/58/44/06/458584406.db2.gz KTOWGUXMPQJIRE-UHFFFAOYSA-N 1 0 345.443 3.385 20 5 EGBDRO CCC1(CC)CC[N@@H+]([C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000438486671 458585982 /nfs/dbraw/zinc/58/59/82/458585982.db2.gz QIGJWOWINKMBRG-CYBMUJFWSA-N 1 0 349.431 3.443 20 5 EGBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)c1ccnc2c1cccc2[N+](=O)[O-] ZINC000432311671 458712560 /nfs/dbraw/zinc/71/25/60/458712560.db2.gz LPJVNYPGMYUZPX-AWEZNQCLSA-N 1 0 328.416 3.454 20 5 EGBDRO CCc1ccc(C(=O)NCCC[NH+](C(C)C)C(C)C)cc1[N+](=O)[O-] ZINC000471758952 458725577 /nfs/dbraw/zinc/72/55/77/458725577.db2.gz MJNGORLAMAHHCI-UHFFFAOYSA-N 1 0 335.448 3.396 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCCC[NH+]1CCC(C)CC1 ZINC000463961098 458726037 /nfs/dbraw/zinc/72/60/37/458726037.db2.gz ZPYDUGBVISLQSQ-UHFFFAOYSA-N 1 0 348.447 3.455 20 5 EGBDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cn1 ZINC000439689404 458739729 /nfs/dbraw/zinc/73/97/29/458739729.db2.gz BSRXOBRJIRGJLV-KRWDZBQOSA-N 1 0 340.427 3.338 20 5 EGBDRO CCC[C@H]1[C@@H](C)CCC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000464734932 458767620 /nfs/dbraw/zinc/76/76/20/458767620.db2.gz KTHJOKQELQTZKG-YOEHRIQHSA-N 1 0 333.432 3.458 20 5 EGBDRO CC(C)c1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000457082810 458858803 /nfs/dbraw/zinc/85/88/03/458858803.db2.gz FBBQIIPVGQXEON-OAHLLOKOSA-N 1 0 333.432 3.273 20 5 EGBDRO C[C@H]1C[C@@H](NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC000440909532 458862908 /nfs/dbraw/zinc/86/29/08/458862908.db2.gz GDMXSTHHYIMXLQ-GXTWGEPZSA-N 1 0 345.443 3.247 20 5 EGBDRO COC(=O)N1CCC[C@H]([C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000495559983 458883345 /nfs/dbraw/zinc/88/33/45/458883345.db2.gz PHTXXQSKOQYANS-YDHLFZDLSA-N 1 0 335.404 3.112 20 5 EGBDRO COc1cccc(C[N@H+](C)CCOc2ccc(OC)cc2[N+](=O)[O-])c1 ZINC000441201273 458899625 /nfs/dbraw/zinc/89/96/25/458899625.db2.gz RHUYXIPCFTVCTB-UHFFFAOYSA-N 1 0 346.383 3.123 20 5 EGBDRO CCOC(=O)c1cc(N2CCC[N@@H+](C(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000531569573 458937868 /nfs/dbraw/zinc/93/78/68/458937868.db2.gz YTUVZYHWPRFQNN-UHFFFAOYSA-N 1 0 349.431 3.082 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000475563419 458951841 /nfs/dbraw/zinc/95/18/41/458951841.db2.gz FYTURDFJHODWBV-SWLSCSKDSA-N 1 0 348.447 3.454 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000475543261 458952075 /nfs/dbraw/zinc/95/20/75/458952075.db2.gz BWRIGRSAIHLDAI-CYBMUJFWSA-N 1 0 348.447 3.455 20 5 EGBDRO CCOC(=O)c1cc(N(C)CC[C@H]2CCCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000467784089 458987373 /nfs/dbraw/zinc/98/73/73/458987373.db2.gz GZKZWUWMKHSIOO-CQSZACIVSA-N 1 0 349.431 3.082 20 5 EGBDRO C[C@H](CC(F)(F)F)[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000468033778 458997817 /nfs/dbraw/zinc/99/78/17/458997817.db2.gz OHCYOWCWVUOJNE-VHSXEESVSA-N 1 0 333.310 3.242 20 5 EGBDRO C[C@@H](C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)C(=O)OC(C)(C)C ZINC000594515142 459072908 /nfs/dbraw/zinc/07/29/08/459072908.db2.gz QSHIHZWDQIWCSX-XJKSGUPXSA-N 1 0 348.443 3.483 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](C)C(=O)OC(C)(C)C ZINC000594517317 459073747 /nfs/dbraw/zinc/07/37/47/459073747.db2.gz ADDLSGWLQYTCNL-LBPRGKRZSA-N 1 0 338.404 3.061 20 5 EGBDRO CSc1ccc([C@@H](CNc2cccnc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000590150793 459093786 /nfs/dbraw/zinc/09/37/86/459093786.db2.gz GYJXUGOJFZMWHA-OAHLLOKOSA-N 1 0 332.429 3.427 20 5 EGBDRO C[C@H](CCNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000567535604 459121301 /nfs/dbraw/zinc/12/13/01/459121301.db2.gz MMWAOODXPIBGGO-CABCVRRESA-N 1 0 333.432 3.079 20 5 EGBDRO C[C@@H](C(=O)N1CCC[C@H]1C[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000567556040 459123559 /nfs/dbraw/zinc/12/35/59/459123559.db2.gz PSPHUMAEGIYPPB-QAPCUYQASA-N 1 0 345.443 3.175 20 5 EGBDRO C[C@@H](C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])CC(F)(F)F ZINC000567693402 459147032 /nfs/dbraw/zinc/14/70/32/459147032.db2.gz RGNCTMCALRIUTK-SNVBAGLBSA-N 1 0 333.310 3.102 20 5 EGBDRO CC[C@H](C)[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000532968213 459168148 /nfs/dbraw/zinc/16/81/48/459168148.db2.gz YAKSCINQUJDVGI-XJKSGUPXSA-N 1 0 349.431 3.443 20 5 EGBDRO O=C(NCCc1ccccc1[N+](=O)[O-])[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000590672034 459178025 /nfs/dbraw/zinc/17/80/25/459178025.db2.gz XXRMFHOKYRFKFH-SFHVURJKSA-N 1 0 345.443 3.051 20 5 EGBDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1ccc(O[C@H]2CCOC2)cc1 ZINC000594929428 459179951 /nfs/dbraw/zinc/17/99/51/459179951.db2.gz JPDSQLXDKZWRDU-SFHVURJKSA-N 1 0 342.395 3.095 20 5 EGBDRO O=[N+]([O-])c1ccc(CN(Cc2ccccc2)[C@H]2CCC[NH2+]C2)cc1 ZINC000567865155 459181117 /nfs/dbraw/zinc/18/11/17/459181117.db2.gz IGZBWVOBRKIYQV-IBGZPJMESA-N 1 0 325.412 3.349 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2csc(NC[C@@H]3CC[N@@H+](C4CC4)C3)n2)cc1 ZINC000590685397 459181239 /nfs/dbraw/zinc/18/12/39/459181239.db2.gz INJMGHODCJWINL-LBPRGKRZSA-N 1 0 344.440 3.036 20 5 EGBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000590687390 459182634 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EGBDRO CC(C)(C)[N@@H+]1CCCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000559626433 459268768 /nfs/dbraw/zinc/26/87/68/459268768.db2.gz QFUSRCUKLCJKCP-UHFFFAOYSA-N 1 0 346.353 3.319 20 5 EGBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000523332799 459290373 /nfs/dbraw/zinc/29/03/73/459290373.db2.gz ISIUFPPZEFMXAO-GFCCVEGCSA-N 1 0 347.440 3.270 20 5 EGBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CC[C@H](C2CCC2)C1 ZINC000591063403 459302809 /nfs/dbraw/zinc/30/28/09/459302809.db2.gz WMUUTWPVBCWMMJ-AWEZNQCLSA-N 1 0 345.399 3.015 20 5 EGBDRO C[C@@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000523527983 459311711 /nfs/dbraw/zinc/31/17/11/459311711.db2.gz CMCVBIYFOAWCTM-CABCVRRESA-N 1 0 347.459 3.109 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000591271653 459344974 /nfs/dbraw/zinc/34/49/74/459344974.db2.gz BKKAXTFLFBJJIO-LSDHHAIUSA-N 1 0 346.431 3.147 20 5 EGBDRO CC(C)(C)[C@H]1CCC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000483248207 459353814 /nfs/dbraw/zinc/35/38/14/459353814.db2.gz DRDWWMRZXPNNCL-HNNXBMFYSA-N 1 0 345.443 3.242 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000591534463 459396330 /nfs/dbraw/zinc/39/63/30/459396330.db2.gz NRYDWCIAOBLBSW-CYBMUJFWSA-N 1 0 345.443 3.158 20 5 EGBDRO Cc1ccc(C)c(OC[C@H](O)C[NH2+]Cc2cccc([N+](=O)[O-])c2)c1C ZINC000582780524 459426428 /nfs/dbraw/zinc/42/64/28/459426428.db2.gz VKECFHGHLHCKTA-GOSISDBHSA-N 1 0 344.411 3.050 20 5 EGBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H]1C1CCCCC1 ZINC000541282771 459439393 /nfs/dbraw/zinc/43/93/93/459439393.db2.gz UUQJLODSYCZNRQ-DLBZAZTESA-N 1 0 348.443 3.379 20 5 EGBDRO COc1ccc(C[NH+]2CCC([C@H]3CCCCO3)CC2)cc1[N+](=O)[O-] ZINC000595785608 459439546 /nfs/dbraw/zinc/43/95/46/459439546.db2.gz FRHXQQOOZRMRMO-QGZVFWFLSA-N 1 0 334.416 3.385 20 5 EGBDRO C[C@@H]1CCN(CC[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000525288351 459441171 /nfs/dbraw/zinc/44/11/71/459441171.db2.gz ZRNBXZGWFUCALL-CQSZACIVSA-N 1 0 329.400 3.286 20 5 EGBDRO CC(C)(C)C1=CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000541325298 459444524 /nfs/dbraw/zinc/44/45/24/459444524.db2.gz FHSISUUELGRSCP-HNNXBMFYSA-N 1 0 334.416 3.013 20 5 EGBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2C[C@H](c3ccccc3)[C@H]3CCCC[C@@H]32)n1 ZINC000485881965 459474706 /nfs/dbraw/zinc/47/47/06/459474706.db2.gz HMILBLRKTJVBMQ-KURKYZTESA-N 1 0 340.427 3.450 20 5 EGBDRO CC(C)c1ccc(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000561749674 459479094 /nfs/dbraw/zinc/47/90/94/459479094.db2.gz GIZBLNXZZGAEHA-QGZVFWFLSA-N 1 0 344.411 3.248 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@@H]4OCC[C@@H]4C3)o2)cc1 ZINC000569606648 459479806 /nfs/dbraw/zinc/47/98/06/459479806.db2.gz GUSXJAAJYKNFQV-PBHICJAKSA-N 1 0 328.368 3.466 20 5 EGBDRO CC(C)C[C@H](C[NH3+])CC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000595925627 459488986 /nfs/dbraw/zinc/48/89/86/459488986.db2.gz AGAALFZTDIWPCB-AWEZNQCLSA-N 1 0 333.432 3.097 20 5 EGBDRO C[NH+](C)CC1CCN(c2ccc(C(F)(F)F)c([N+](=O)[O-])c2)CC1 ZINC000596083968 459513378 /nfs/dbraw/zinc/51/33/78/459513378.db2.gz ZNTTXBZHCNACCI-UHFFFAOYSA-N 1 0 331.338 3.392 20 5 EGBDRO O=c1[nH]ccc(Nc2ccc(CC[NH+]3CCCCC3)cc2)c1[N+](=O)[O-] ZINC000596089180 459516530 /nfs/dbraw/zinc/51/65/30/459516530.db2.gz WCCZQKONPZNBEP-UHFFFAOYSA-N 1 0 342.399 3.467 20 5 EGBDRO CC(C)[NH2+][C@H]1CCCN(c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000596099259 459519682 /nfs/dbraw/zinc/51/96/82/459519682.db2.gz QSGNTMOKQXBKMM-NSHDSACASA-N 1 0 342.237 3.324 20 5 EGBDRO CCC[C@@H](C)[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000486802828 459522576 /nfs/dbraw/zinc/52/25/76/459522576.db2.gz WZRYAKGKCDHNEV-CJNGLKHVSA-N 1 0 349.431 3.443 20 5 EGBDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596163583 459544406 /nfs/dbraw/zinc/54/44/06/459544406.db2.gz XMSAFMZHDVHNEX-AWEZNQCLSA-N 1 0 348.447 3.176 20 5 EGBDRO O=[N+]([O-])c1cncc(Cl)c1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000596170701 459546984 /nfs/dbraw/zinc/54/69/84/459546984.db2.gz VUBKRZDSXVYZTM-SMDDNHRTSA-N 1 0 336.823 3.096 20 5 EGBDRO CC[N@H+](CCSC)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000592201360 459549127 /nfs/dbraw/zinc/54/91/27/459549127.db2.gz RQHAEOGIMLLDGJ-NSHDSACASA-N 1 0 336.417 3.391 20 5 EGBDRO O=C(N[C@@H]1CCC[NH2+]C1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000592289761 459571995 /nfs/dbraw/zinc/57/19/95/459571995.db2.gz OQNRFXJCKOIIDI-GFCCVEGCSA-N 1 0 349.456 3.111 20 5 EGBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc([C@@H]2CCC[NH2+]2)no1 ZINC000592357310 459579151 /nfs/dbraw/zinc/57/91/51/459579151.db2.gz VYACODWQKYNRPJ-SCZZXKLOSA-N 1 0 338.751 3.196 20 5 EGBDRO CC[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)NCc1cccs1 ZINC000592396766 459591409 /nfs/dbraw/zinc/59/14/09/459591409.db2.gz RAOTXPNOMMYJEI-MLGOLLRUSA-N 1 0 347.440 3.402 20 5 EGBDRO Cc1ccnc(N2CC[C@H]([N@H+](C)CCc3ccccc3)C2)c1[N+](=O)[O-] ZINC000596467190 459646086 /nfs/dbraw/zinc/64/60/86/459646086.db2.gz ODZUWLYYVKFEDA-KRWDZBQOSA-N 1 0 340.427 3.051 20 5 EGBDRO CC[NH+](CC)Cc1ccc(C(=O)N(C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000592630431 459650568 /nfs/dbraw/zinc/65/05/68/459650568.db2.gz MAFQFUMYFGAOSI-UHFFFAOYSA-N 1 0 331.372 3.306 20 5 EGBDRO CCCC[C@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CCC1 ZINC000543454897 459658969 /nfs/dbraw/zinc/65/89/69/459658969.db2.gz MXSDNOPVJOAQBO-KRWDZBQOSA-N 1 0 345.443 3.432 20 5 EGBDRO COCc1cc([N+](=O)[O-])ccc1NCC1CC[NH+](CC2CC2)CC1 ZINC000596562395 459677009 /nfs/dbraw/zinc/67/70/09/459677009.db2.gz MSSXWWCQUCDIEN-UHFFFAOYSA-N 1 0 333.432 3.275 20 5 EGBDRO O=[N+]([O-])c1ccc2nc(NC[C@H]3CCC[N@H+](CC4CC4)C3)ccc2c1 ZINC000596570839 459680303 /nfs/dbraw/zinc/68/03/03/459680303.db2.gz OLTFFXDVBFWDFK-OAHLLOKOSA-N 1 0 340.427 3.099 20 5 EGBDRO COc1ccc(NC(=O)CC[NH2+]C2[C@H](C)CCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000584259009 459692571 /nfs/dbraw/zinc/69/25/71/459692571.db2.gz REUDBHBJLLCDLW-CHWSQXEVSA-N 1 0 349.431 3.346 20 5 EGBDRO CCOc1ccc([C@@H](C)[NH2+][C@H]2CCN(C(C)(C)C)C2=O)cc1[N+](=O)[O-] ZINC000563127419 459722573 /nfs/dbraw/zinc/72/25/73/459722573.db2.gz XEFYEJCOOXCXOU-OCCSQVGLSA-N 1 0 349.431 3.044 20 5 EGBDRO CCC[C@@H]1CN([C@H](C)c2ccccc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000501802208 459745549 /nfs/dbraw/zinc/74/55/49/459745549.db2.gz DWXHUZCBSJVVNE-HZPDHXFCSA-N 1 0 335.448 3.089 20 5 EGBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1CCCCS1 ZINC000544383647 459753050 /nfs/dbraw/zinc/75/30/50/459753050.db2.gz DPSFDDMEYKMOFU-SWLSCSKDSA-N 1 0 337.445 3.187 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@@H](CO)C2CC2)s1 ZINC000584499341 459754932 /nfs/dbraw/zinc/75/49/32/459754932.db2.gz HIGFIQNBZBJOSN-ZDUSSCGKSA-N 1 0 332.425 3.431 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000585718688 459836813 /nfs/dbraw/zinc/83/68/13/459836813.db2.gz SYODIWYHFWZRAZ-IAGOWNOFSA-N 1 0 347.459 3.151 20 5 EGBDRO COc1cc(F)c(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)cc1OC ZINC000566337492 459845609 /nfs/dbraw/zinc/84/56/09/459845609.db2.gz FUSUBXURGHNMSA-UHFFFAOYSA-N 1 0 348.374 3.426 20 5 EGBDRO C[C@]1(NC(=O)c2ccc([N+](=O)[O-])s2)CC[N@H+](Cc2ccccc2)C1 ZINC000593342764 459853913 /nfs/dbraw/zinc/85/39/13/459853913.db2.gz YFBVASJVMZTORX-KRWDZBQOSA-N 1 0 345.424 3.051 20 5 EGBDRO COc1cc(C[N@H+](C)[C@@H](C)C2CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000602320188 459893774 /nfs/dbraw/zinc/89/37/74/459893774.db2.gz NGAUCDCXZUCITA-VIFPVBQESA-N 1 0 330.331 3.435 20 5 EGBDRO Cc1nc2ccccc2n1CCC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602502168 459970458 /nfs/dbraw/zinc/97/04/58/459970458.db2.gz FBBWCGMCSBFGRR-UHFFFAOYSA-N 1 0 338.411 3.475 20 5 EGBDRO Cc1c(NC(=O)CC[N@@H+]2CC[C@H](c3ccco3)C2)cccc1[N+](=O)[O-] ZINC000609539867 459977255 /nfs/dbraw/zinc/97/72/55/459977255.db2.gz FZDJSZYNEDVOLZ-AWEZNQCLSA-N 1 0 343.383 3.314 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CC[C@H](c4ccco4)C3)n2)cc1 ZINC000609540108 459978462 /nfs/dbraw/zinc/97/84/62/459978462.db2.gz QCGWZIFNMQCIFC-ZDUSSCGKSA-N 1 0 340.339 3.227 20 5 EGBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602522849 459981946 /nfs/dbraw/zinc/98/19/46/459981946.db2.gz YONDJIFOPLQCBR-MJBXVCDLSA-N 1 0 346.431 3.192 20 5 EGBDRO C[C@@H]1CC[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)[C@H](C)C1 ZINC000602549493 459992643 /nfs/dbraw/zinc/99/26/43/459992643.db2.gz CTHBUYYGFKHQLC-CPUCHLNUSA-N 1 0 332.448 3.373 20 5 EGBDRO C[C@@H]1C[C@@H](NCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000602569129 460000788 /nfs/dbraw/zinc/00/07/88/460000788.db2.gz NQEBYTMYCRFXKJ-ZWNOBZJWSA-N 1 0 343.349 3.328 20 5 EGBDRO Cc1nc(CC[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)sc1C ZINC000602577406 460005409 /nfs/dbraw/zinc/00/54/09/460005409.db2.gz SPSJSXJQZKKBDA-UHFFFAOYSA-N 1 0 332.385 3.142 20 5 EGBDRO C[C@H]1C[C@H](C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CCO1 ZINC000602581407 460006904 /nfs/dbraw/zinc/00/69/04/460006904.db2.gz JRIGSMKOYFBVMU-DTWKUNHWSA-N 1 0 349.250 3.324 20 5 EGBDRO CCC1([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CCOCC1 ZINC000602593435 460014400 /nfs/dbraw/zinc/01/44/00/460014400.db2.gz KUCJGIFIEBYMFW-UHFFFAOYSA-N 1 0 349.250 3.468 20 5 EGBDRO CC[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000609766769 460015378 /nfs/dbraw/zinc/01/53/78/460015378.db2.gz PCIDCYQBHUBPKW-KGLIPLIRSA-N 1 0 349.431 3.443 20 5 EGBDRO Cc1cnc([C@H](C)C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)s1 ZINC000602613067 460022717 /nfs/dbraw/zinc/02/27/17/460022717.db2.gz MXICLFBKXGMQHT-SECBINFHSA-N 1 0 332.385 3.394 20 5 EGBDRO C[NH+](C)CCN(Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CCCC1 ZINC000602624705 460030122 /nfs/dbraw/zinc/03/01/22/460030122.db2.gz QCOIFWKQDDAOFC-UHFFFAOYSA-N 1 0 332.404 3.042 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@@]2(O)CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000602628771 460031756 /nfs/dbraw/zinc/03/17/56/460031756.db2.gz KVGYWRORYVEKLQ-UKRRQHHQSA-N 1 0 346.349 3.211 20 5 EGBDRO O=[N+]([O-])c1cc(C[NH2+]Cc2ccc(CO)cc2)cc(C(F)(F)F)c1 ZINC000602641588 460036981 /nfs/dbraw/zinc/03/69/81/460036981.db2.gz TWHUMJZYEOVDPQ-UHFFFAOYSA-N 1 0 340.301 3.396 20 5 EGBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000610062451 460057883 /nfs/dbraw/zinc/05/78/83/460057883.db2.gz UIBGMICKVZOBJZ-HUUCEWRRSA-N 1 0 347.459 3.109 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2ccnc(C(F)(F)F)c2)cc1 ZINC000602680688 460062317 /nfs/dbraw/zinc/06/23/17/460062317.db2.gz RGDPXYCYFLSYAB-UHFFFAOYSA-N 1 0 325.290 3.341 20 5 EGBDRO CC(C)CSCC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000618572312 460067683 /nfs/dbraw/zinc/06/76/83/460067683.db2.gz SFSNTCAUHZLIDD-UONOGXRCSA-N 1 0 326.466 3.254 20 5 EGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]Cc1ccc(CO)cc1 ZINC000602700689 460073311 /nfs/dbraw/zinc/07/33/11/460073311.db2.gz NOSWOSWPPNUXKV-UHFFFAOYSA-N 1 0 340.301 3.396 20 5 EGBDRO Cc1cnc(CC[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)c(C)c1 ZINC000602703810 460074831 /nfs/dbraw/zinc/07/48/31/460074831.db2.gz CBWAVEMKOBSJRD-UHFFFAOYSA-N 1 0 326.356 3.080 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NCc1ccccc1OCC[NH+](C)C ZINC000589567706 460103592 /nfs/dbraw/zinc/10/35/92/460103592.db2.gz KCTGXNMTARPDFT-UHFFFAOYSA-N 1 0 329.400 3.456 20 5 EGBDRO C[C@@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000602756818 460108692 /nfs/dbraw/zinc/10/86/92/460108692.db2.gz REWBJVKZHXZPAG-BBRMVZONSA-N 1 0 334.420 3.179 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@@H](c2ccccc2C)C[C@@H]1C ZINC000602780210 460120540 /nfs/dbraw/zinc/12/05/40/460120540.db2.gz PVUCEQGJKPKDIQ-HOCLYGCPSA-N 1 0 328.416 3.286 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@@H](C)C[C@@H]1c1ccccc1F ZINC000602785504 460123786 /nfs/dbraw/zinc/12/37/86/460123786.db2.gz UPQIYMXVCWEPLS-BLLLJJGKSA-N 1 0 332.379 3.322 20 5 EGBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H]2C[C@@H](O)C2)ccc1Oc1ccc(F)cc1 ZINC000599006311 460124601 /nfs/dbraw/zinc/12/46/01/460124601.db2.gz GVFJDFZNZXFUGG-OTVXOJSOSA-N 1 0 346.358 3.387 20 5 EGBDRO CSc1ccc(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000594203847 460148985 /nfs/dbraw/zinc/14/89/85/460148985.db2.gz USRMGVAZCSUXAM-UONOGXRCSA-N 1 0 349.456 3.063 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH+]2C[C@@H]3CN(c4ccccc4)C[C@H]3C2)c(F)c1 ZINC000610476258 460159465 /nfs/dbraw/zinc/15/94/65/460159465.db2.gz RNHZDXMUXLLQOY-HZPDHXFCSA-N 1 0 341.386 3.302 20 5 EGBDRO Cc1cc(C)cc(OCC[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000618762113 460159949 /nfs/dbraw/zinc/15/99/49/460159949.db2.gz KLQFECZASHOIST-UHFFFAOYSA-N 1 0 344.415 3.124 20 5 EGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@]2(C1)C(=O)Nc1ccccc12 ZINC000614584908 460177356 /nfs/dbraw/zinc/17/73/56/460177356.db2.gz CTYKNNNKHADZEV-YJYMSZOUSA-N 1 0 337.379 3.252 20 5 EGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@]2(C1)C(=O)Nc1ccccc12 ZINC000614584907 460177727 /nfs/dbraw/zinc/17/77/27/460177727.db2.gz CTYKNNNKHADZEV-ORAYPTAESA-N 1 0 337.379 3.252 20 5 EGBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CC2(CO)CCCCC2)c1 ZINC000610583452 460191044 /nfs/dbraw/zinc/19/10/44/460191044.db2.gz MEMNBUFKZILUMU-UHFFFAOYSA-N 1 0 344.358 3.229 20 5 EGBDRO CCC[C@H]([NH3+])c1cn(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)nn1 ZINC000603230501 460268569 /nfs/dbraw/zinc/26/85/69/460268569.db2.gz AIRUYRISSDNXGJ-LBPRGKRZSA-N 1 0 343.309 3.053 20 5 EGBDRO COc1ccc([C@@H]([NH2+]CCOc2cccc([N+](=O)[O-])c2)C2CC2)cn1 ZINC000599700850 460315624 /nfs/dbraw/zinc/31/56/24/460315624.db2.gz QMYPSIPZCJIJOY-SFHVURJKSA-N 1 0 343.383 3.118 20 5 EGBDRO C[C@@H](CNc1ccc2cc([N+](=O)[O-])ccc2n1)[N@@H+]1CCC[C@H](C)C1 ZINC000603858017 460349441 /nfs/dbraw/zinc/34/94/41/460349441.db2.gz ZFQKBAWLMZMNDU-KBPBESRZSA-N 1 0 328.416 3.097 20 5 EGBDRO CC(C)(C)OC(=O)CCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000611498482 460377204 /nfs/dbraw/zinc/37/72/04/460377204.db2.gz ITNCJDLGAUZNHL-UHFFFAOYSA-N 1 0 326.368 3.336 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]Cc1[nH]nc2ccccc21 ZINC000611498960 460377465 /nfs/dbraw/zinc/37/74/65/460377465.db2.gz RGSGYWXGSZAQGQ-UHFFFAOYSA-N 1 0 330.775 3.457 20 5 EGBDRO O=[N+]([O-])c1ccc(OCCC[NH2+][C@H](CCO)C2CCCCC2)cc1 ZINC000612824274 460741651 /nfs/dbraw/zinc/74/16/51/460741651.db2.gz OEZWSTJZXMYTMJ-GOSISDBHSA-N 1 0 336.432 3.285 20 5 EGBDRO CNc1ccc(-c2nc(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)no2)cc1[N+](=O)[O-] ZINC000612955081 460783119 /nfs/dbraw/zinc/78/31/19/460783119.db2.gz RNJZAHZYDCBDAB-YHWZYXNKSA-N 1 0 343.387 3.027 20 5 EGBDRO C[C@@H](CNc1ncnc2ccc([N+](=O)[O-])cc21)[N@@H+]1CCC[C@@H](C)C1 ZINC000611701885 469305806 /nfs/dbraw/zinc/30/58/06/469305806.db2.gz RNBMZDJWGDWEFS-OLZOCXBDSA-N 1 0 329.404 3.070 20 5 EGBDRO C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1cccc(Cl)c1Cl ZINC000183751803 533876270 /nfs/dbraw/zinc/87/62/70/533876270.db2.gz PQRPUPTXUZZPPL-VIFPVBQESA-N 1 0 329.187 3.449 20 5 EGBDRO C[C@@H]1CCSCC[N@@H+]1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000191813637 534123042 /nfs/dbraw/zinc/12/30/42/534123042.db2.gz DEOAYDFRFQSEAZ-CYBMUJFWSA-N 1 0 346.456 3.323 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000176225115 534321688 /nfs/dbraw/zinc/32/16/88/534321688.db2.gz ZGFOXXFTWJCVSN-UHFFFAOYSA-N 1 0 346.431 3.208 20 5 EGBDRO O=C(c1cc2ccccc2c2cccnc12)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000158654421 534673032 /nfs/dbraw/zinc/67/30/32/534673032.db2.gz NSBUDOZTPAXWCP-NRFANRHFSA-N 1 0 331.419 3.214 20 5 EGBDRO CC(C)CCSc1ccc(C(=O)NCC[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000178652001 534909793 /nfs/dbraw/zinc/90/97/93/534909793.db2.gz JYPVFUZEJXUXGQ-LBPRGKRZSA-N 1 0 339.461 3.200 20 5 EGBDRO CC(C)(C)[C@@H](CCO)[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000183674213 526617725 /nfs/dbraw/zinc/61/77/25/526617725.db2.gz ZPVKFTDWBVITSL-OAHLLOKOSA-N 1 0 333.388 3.137 20 5 EGBDRO CC(C)c1ccc(C(=O)N2CC[C@@H]3CC[C@H](C2)[N@@H+]3C)cc1[N+](=O)[O-] ZINC000187808573 528065304 /nfs/dbraw/zinc/06/53/04/528065304.db2.gz DWLJYBPRPHKCKZ-LSDHHAIUSA-N 1 0 331.416 3.027 20 5 EGBDRO CC[NH+](CC)CCSCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000174024524 528162562 /nfs/dbraw/zinc/16/25/62/528162562.db2.gz MCCZIXYFCCCBIE-UHFFFAOYSA-N 1 0 345.852 3.262 20 5 EGBDRO CCN(CCC[NH+]1CCCC1)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000189765291 528449063 /nfs/dbraw/zinc/44/90/63/528449063.db2.gz STTOQFGUXRDANI-UHFFFAOYSA-N 1 0 334.420 3.243 20 5 EGBDRO CCCCNC(=O)C1CC[NH+](Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000154708645 528495763 /nfs/dbraw/zinc/49/57/63/528495763.db2.gz IFXSYCAIZRXOHN-UHFFFAOYSA-N 1 0 333.432 3.032 20 5 EGBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](CO)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000130345563 528597719 /nfs/dbraw/zinc/59/77/19/528597719.db2.gz BWJMKZMEWPUIJR-PBHICJAKSA-N 1 0 344.411 3.248 20 5 EGBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000152877560 528942008 /nfs/dbraw/zinc/94/20/08/528942008.db2.gz LVOPVRXXONYJPH-ALOPSCKCSA-N 1 0 345.443 3.253 20 5 EGBDRO COC(=O)c1ccc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)cc1F ZINC000338381497 536659118 /nfs/dbraw/zinc/65/91/18/536659118.db2.gz MXDWBPGXZFMHRT-UHFFFAOYSA-N 1 0 346.358 3.195 20 5 EGBDRO C[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H](C)C1CCCCC1 ZINC000185511154 547118346 /nfs/dbraw/zinc/11/83/46/547118346.db2.gz XFQNKHGRNRSUBV-CHWSQXEVSA-N 1 0 333.432 3.388 20 5 EGBDRO Cc1ccc(C(=O)O[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000735221578 575618340 /nfs/dbraw/zinc/61/83/40/575618340.db2.gz SOHZJILEJIXOLG-KRWDZBQOSA-N 1 0 340.379 3.335 20 5 EGBDRO CC[C@H](C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl)[NH+](CC)CC ZINC000735994143 575749122 /nfs/dbraw/zinc/74/91/22/575749122.db2.gz CFACWQXSUGXKJC-OAHLLOKOSA-N 1 0 341.839 3.327 20 5 EGBDRO CC(C)[C@H](C(=O)OCc1cc([N+](=O)[O-])ccc1Cl)[NH+]1CCCC1 ZINC000741014648 576646164 /nfs/dbraw/zinc/64/61/64/576646164.db2.gz OJWPFUNRJAKUCR-OAHLLOKOSA-N 1 0 340.807 3.412 20 5 EGBDRO C[C@@H]1CCC[N@@H+]1CCNc1ccc(Br)cc1[N+](=O)[O-] ZINC000742427212 576783255 /nfs/dbraw/zinc/78/32/55/576783255.db2.gz FVOAMWPFLNOOIF-SNVBAGLBSA-N 1 0 328.210 3.254 20 5 EGBDRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1c(C)ccc([N+](=O)[O-])c1C ZINC000874123250 1297793477 /nfs/dbraw/zinc/79/34/77/1297793477.db2.gz LWAVZCXBAYSPGA-AWEZNQCLSA-N 1 0 335.448 3.452 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCC[C@H](N2CCCC2=O)CC1 ZINC000877590088 1299418664 /nfs/dbraw/zinc/41/86/64/1299418664.db2.gz QAFWUKVXCGIPSE-INIZCTEOSA-N 1 0 345.443 3.189 20 5 EGBDRO C[C@H]1CN(c2ncc([N+](=O)[O-])c3ccccc32)CC[N@@H+](C2CC2)C1 ZINC000884517065 1302894504 /nfs/dbraw/zinc/89/45/04/1302894504.db2.gz BRDCKLIIBPVBKM-CYBMUJFWSA-N 1 0 326.400 3.064 20 5 EGBDRO C[C@H]1C[C@H](C)C[NH+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000009997414 1291111137 /nfs/dbraw/zinc/11/11/37/1291111137.db2.gz SXNJASKNEYAMEV-QWRGUYRKSA-N 1 0 325.796 3.165 20 5 EGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@]1(O)CCc2ccccc21 ZINC000090779757 1292805857 /nfs/dbraw/zinc/80/58/57/1292805857.db2.gz WPGTZEFOHLOAPG-FOIQADDNSA-N 1 0 340.423 3.340 20 5 EGBDRO CCCN(C(=O)Nc1cccc([N+](=O)[O-])c1Cl)[C@H]1CC[N@H+](C)C1 ZINC000831786439 1292919469 /nfs/dbraw/zinc/91/94/69/1292919469.db2.gz CMFHKMBOWCTMKV-NSHDSACASA-N 1 0 340.811 3.196 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCCc3ccccc3CC2)cc1 ZINC000831920761 1292937176 /nfs/dbraw/zinc/93/71/76/1292937176.db2.gz VCYVWCHXFVNFMB-LJQANCHMSA-N 1 0 326.396 3.119 20 5 EGBDRO C[C@H](CCCc1cccnc1)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000834570087 1293118756 /nfs/dbraw/zinc/11/87/56/1293118756.db2.gz CQKDUXKZDLBKAE-KDOFPFPSSA-N 1 0 329.400 3.024 20 5 EGBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1OC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000835481786 1293300505 /nfs/dbraw/zinc/30/05/05/1293300505.db2.gz QKZUVXBZPQZATR-DOTOQJQBSA-N 1 0 348.443 3.276 20 5 EGBDRO Cc1c(C[N@H+](C)CCCNC(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC000125246789 1293501419 /nfs/dbraw/zinc/50/14/19/1293501419.db2.gz ZOMUPKOLTTWTBG-UHFFFAOYSA-N 1 0 337.420 3.250 20 5 EGBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)[NH+]1CCC(C)CC1 ZINC000136690033 1293820850 /nfs/dbraw/zinc/82/08/50/1293820850.db2.gz JMZXTZCHNZTARM-LBPRGKRZSA-N 1 0 339.823 3.098 20 5 EGBDRO CC(C)[C@@H]([NH3+])CCN(C)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000157913087 1294191182 /nfs/dbraw/zinc/19/11/82/1294191182.db2.gz CEQDPUFBVCABSP-ZDUSSCGKSA-N 1 0 344.253 3.163 20 5 EGBDRO CC(C)(C)OC(=O)NC[C@H]1CCC[C@@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000173348026 1294460384 /nfs/dbraw/zinc/46/03/84/1294460384.db2.gz VCXISSFAUMCSRL-HIFRSBDPSA-N 1 0 349.431 3.378 20 5 EGBDRO CC[C@]1(C)CCC[N@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000173425313 1294461758 /nfs/dbraw/zinc/46/17/58/1294461758.db2.gz UCWXOFJDBPVTAO-QGZVFWFLSA-N 1 0 329.404 3.323 20 5 EGBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc(F)cc(C)c1[N+](=O)[O-] ZINC000176236479 1294596164 /nfs/dbraw/zinc/59/61/64/1294596164.db2.gz AYWDDSFNFDQDDN-CQSZACIVSA-N 1 0 337.395 3.037 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCCC2CC[NH+](C(C)C)CC2)c1 ZINC000870958218 1296154875 /nfs/dbraw/zinc/15/48/75/1296154875.db2.gz MVBXEZURIWSRJX-UHFFFAOYSA-N 1 0 333.432 3.144 20 5 EGBDRO COC[C@]1(CNc2c(Cl)cc([N+](=O)[O-])cc2Cl)CCC[NH2+]1 ZINC000261757021 1296601272 /nfs/dbraw/zinc/60/12/72/1296601272.db2.gz UOOMTWLFYYBCEA-CYBMUJFWSA-N 1 0 334.203 3.082 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000872036025 1296686648 /nfs/dbraw/zinc/68/66/48/1296686648.db2.gz PEWRLZFUXGLERT-JSGCOSHPSA-N 1 0 335.473 3.452 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCc2n[nH]cc2C1 ZINC000872047367 1296697466 /nfs/dbraw/zinc/69/74/66/1296697466.db2.gz AQNMYRNYEVSGLE-JQWIXIFHSA-N 1 0 332.429 3.248 20 5 EGBDRO C[C@H]([NH2+]C1CC(NC(=O)OC(C)(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000310065759 1297088305 /nfs/dbraw/zinc/08/83/05/1297088305.db2.gz CRQXXIIJMULQIW-XGNXJENSSA-N 1 0 335.404 3.301 20 5 EGBDRO Cc1c(C[NH2+]C[C@@H]2CCCN2C(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC000310599554 1297096752 /nfs/dbraw/zinc/09/67/52/1297096752.db2.gz AJLGXHBQHUXIJI-HNNXBMFYSA-N 1 0 349.431 3.392 20 5 EGBDRO CCN(Cc1ccccc1)C(=O)C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000873028671 1297233303 /nfs/dbraw/zinc/23/33/03/1297233303.db2.gz XNUIRNFPYOHUTF-UHFFFAOYSA-N 1 0 341.411 3.042 20 5 EGBDRO Cc1c(C[NH2+]C[C@]2(CO)C[C@@H]2c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000873114602 1297276692 /nfs/dbraw/zinc/27/66/92/1297276692.db2.gz MHRFPMLYBLFYIG-MJGOQNOKSA-N 1 0 344.386 3.298 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C1CCN(c2nccs2)CC1 ZINC000873120756 1297281063 /nfs/dbraw/zinc/28/10/63/1297281063.db2.gz ZBMOETALMKZBFI-UHFFFAOYSA-N 1 0 346.456 3.427 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000873976075 1297742382 /nfs/dbraw/zinc/74/23/82/1297742382.db2.gz PAJMEKNPJPKRQP-HNNXBMFYSA-N 1 0 347.440 3.306 20 5 EGBDRO CC(C)(O)[C@@H]1CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1Br ZINC000707145095 1298227333 /nfs/dbraw/zinc/22/73/33/1298227333.db2.gz BWAJHZVTOOZLFV-LBPRGKRZSA-N 1 0 343.221 3.093 20 5 EGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]CCc1ccncc1 ZINC000877090272 1299153795 /nfs/dbraw/zinc/15/37/95/1299153795.db2.gz QQIYTTRJWXPLER-UHFFFAOYSA-N 1 0 325.290 3.341 20 5 EGBDRO CN(CCCC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000749684333 1299255191 /nfs/dbraw/zinc/25/51/91/1299255191.db2.gz BHDISZJBQVINAC-IBGZPJMESA-N 1 0 343.427 3.134 20 5 EGBDRO C[C@]1(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1(Cl)Cl ZINC000877564881 1299402106 /nfs/dbraw/zinc/40/21/06/1299402106.db2.gz OFRDRVRMNWERMF-GFCCVEGCSA-N 1 0 330.171 3.410 20 5 EGBDRO COC1CCC([N@H+](C)Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000878109158 1299752889 /nfs/dbraw/zinc/75/28/89/1299752889.db2.gz NBMJCPRTGZWSHK-UHFFFAOYSA-N 1 0 346.387 3.034 20 5 EGBDRO C[N@H+](CCc1cccs1)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878141601 1299775939 /nfs/dbraw/zinc/77/59/39/1299775939.db2.gz KRFAOAQYJIVCDO-UHFFFAOYSA-N 1 0 344.396 3.381 20 5 EGBDRO CC[N@H+](CN1CCN(c2ccccc2[N+](=O)[O-])C1=O)[C@@H](C)C(C)C ZINC000752789036 1299794767 /nfs/dbraw/zinc/79/47/67/1299794767.db2.gz LGOQMLUCXBLOAN-AWEZNQCLSA-N 1 0 334.420 3.161 20 5 EGBDRO CSCC[C@H](C)[N@H+](C)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878250176 1299863972 /nfs/dbraw/zinc/86/39/72/1299863972.db2.gz DSWGZROZICYARK-NSHDSACASA-N 1 0 336.417 3.218 20 5 EGBDRO C[N@@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C[C@H]1CC=CCC1 ZINC000878403934 1299975816 /nfs/dbraw/zinc/97/58/16/1299975816.db2.gz JVKLMDHEHNRWKZ-ZDUSSCGKSA-N 1 0 328.372 3.433 20 5 EGBDRO CCC1(CC)CC[N@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000755933445 1300418528 /nfs/dbraw/zinc/41/85/28/1300418528.db2.gz WHNSFAFCQGLLOM-UHFFFAOYSA-N 1 0 329.404 3.323 20 5 EGBDRO CC1(C)C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)Cc2ccccc21 ZINC000759307984 1301062150 /nfs/dbraw/zinc/06/21/50/1301062150.db2.gz ZJSROCOLAIQPFZ-SFHVURJKSA-N 1 0 326.396 3.422 20 5 EGBDRO CC(C)[NH2+][C@H]1CCCN(c2ccc([N+](=O)[O-])cc2OC(F)F)C1 ZINC000760512398 1301286204 /nfs/dbraw/zinc/28/62/04/1301286204.db2.gz OPNUIGPNSKPZME-NSHDSACASA-N 1 0 329.347 3.163 20 5 EGBDRO O=[N+]([O-])c1c(F)nccc1NCc1cccc(C[NH+]2CCCC2)c1 ZINC000881796315 1301724925 /nfs/dbraw/zinc/72/49/25/1301724925.db2.gz WOAMYTCXJOPWBN-UHFFFAOYSA-N 1 0 330.363 3.337 20 5 EGBDRO O=[N+]([O-])c1c(F)nccc1NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000881915876 1301755361 /nfs/dbraw/zinc/75/53/61/1301755361.db2.gz FBEXTQFFSFKEHV-OAHLLOKOSA-N 1 0 344.390 3.105 20 5 EGBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)[N@@H+]1CCCC[C@H]1C ZINC000764191171 1302027142 /nfs/dbraw/zinc/02/71/42/1302027142.db2.gz DZOGJTYTSARXFH-VXGBXAGGSA-N 1 0 339.823 3.241 20 5 EGBDRO C[C@H](Cc1ccco1)[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000764773413 1302132363 /nfs/dbraw/zinc/13/23/63/1302132363.db2.gz HVQYICQRPRXIAF-OLZOCXBDSA-N 1 0 331.372 3.126 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H]2CCOc3c(Cl)cccc32)cc1 ZINC000765850354 1302341120 /nfs/dbraw/zinc/34/11/20/1302341120.db2.gz XNKADTPGEFCPEB-CVEARBPZSA-N 1 0 348.786 3.395 20 5 EGBDRO Cc1c([C@@H](C)[NH2+]C2CCN(C[C@H]3CCCO3)CC2)cccc1[N+](=O)[O-] ZINC000765976378 1302361556 /nfs/dbraw/zinc/36/15/56/1302361556.db2.gz OEOOBJLBKNFFNS-NVXWUHKLSA-N 1 0 347.459 3.197 20 5 EGBDRO CCC1(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCOCC1 ZINC000766380690 1302442159 /nfs/dbraw/zinc/44/21/59/1302442159.db2.gz GMSBMBYKUVPQNC-UHFFFAOYSA-N 1 0 347.459 3.360 20 5 EGBDRO C[C@H]1CCCC[N@@H+]1CC(N)=NOCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000768517259 1302921486 /nfs/dbraw/zinc/92/14/86/1302921486.db2.gz LKLVEYJSOBQPBS-NSHDSACASA-N 1 0 340.811 3.121 20 5 EGBDRO C[C@H](CNC(=O)OC(C)(C)C)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000768950925 1303019580 /nfs/dbraw/zinc/01/95/80/1303019580.db2.gz NMCYYYKADXTABX-SNVBAGLBSA-N 1 0 343.811 3.251 20 5 EGBDRO CCC[N@@H+]1CC[C@H](CNC(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000770004811 1303205445 /nfs/dbraw/zinc/20/54/45/1303205445.db2.gz XSPGOCKISICGLB-LLVKDONJSA-N 1 0 340.811 3.102 20 5 EGBDRO CC(C)(C(=O)OCC[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000770417112 1303265702 /nfs/dbraw/zinc/26/57/02/1303265702.db2.gz FNZAFXLYNQTBEX-UHFFFAOYSA-N 1 0 338.379 3.041 20 5 EGBDRO COc1ccc(C2CC[NH+](Cc3cccnc3[N+](=O)[O-])CC2)cc1 ZINC000886028822 1303324690 /nfs/dbraw/zinc/32/46/90/1303324690.db2.gz YATNUDHWDJMENR-UHFFFAOYSA-N 1 0 327.384 3.378 20 5 EGBDRO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000886081799 1303349661 /nfs/dbraw/zinc/34/96/61/1303349661.db2.gz XYGIGBUNYWOZGM-IRXDYDNUSA-N 1 0 345.374 3.217 20 5 EGBDRO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000886081800 1303349692 /nfs/dbraw/zinc/34/96/92/1303349692.db2.gz XYGIGBUNYWOZGM-SJORKVTESA-N 1 0 345.374 3.217 20 5 EGBDRO C[N@H+](Cc1cccnc1[N+](=O)[O-])[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000886134511 1303368644 /nfs/dbraw/zinc/36/86/44/1303368644.db2.gz VEADXNHAXFCIEG-SJORKVTESA-N 1 0 345.374 3.481 20 5 EGBDRO O=[N+]([O-])c1ncccc1C[NH+]1CCC2(CC1)OCCc1ccccc12 ZINC000886239428 1303410133 /nfs/dbraw/zinc/41/01/33/1303410133.db2.gz WTUXYKZFAKJBKY-UHFFFAOYSA-N 1 0 339.395 3.054 20 5 EGBDRO CC[NH+](CC)Cc1ccc(C(=O)Oc2cc(F)cc([N+](=O)[O-])c2)o1 ZINC000771481680 1303410560 /nfs/dbraw/zinc/41/05/60/1303410560.db2.gz RUBVGAUXPZNXEW-UHFFFAOYSA-N 1 0 336.319 3.388 20 5 EGBDRO CC(C)[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000886424013 1303462341 /nfs/dbraw/zinc/46/23/41/1303462341.db2.gz WMIISBJDRCWOKC-QGZVFWFLSA-N 1 0 341.411 3.051 20 5 EGBDRO O=[N+]([O-])c1ccc2c(cnn2C[N@@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)c1 ZINC000773262196 1303650832 /nfs/dbraw/zinc/65/08/32/1303650832.db2.gz OGPHGPIOYYBTIV-GJZGRUSLSA-N 1 0 344.415 3.041 20 5 EGBDRO CS[C@@H]1CN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)C[C@H]1[NH+](C)C ZINC000774535631 1303823982 /nfs/dbraw/zinc/82/39/82/1303823982.db2.gz CDLJOGQLMHVBOH-CHWSQXEVSA-N 1 0 349.378 3.095 20 5 EGBDRO CC(C)(C)OC(=O)NCCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000774833226 1303865196 /nfs/dbraw/zinc/86/51/96/1303865196.db2.gz MIBNYBWMVOMGGF-UHFFFAOYSA-N 1 0 349.431 3.474 20 5 EGBDRO COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000775993259 1304076041 /nfs/dbraw/zinc/07/60/41/1304076041.db2.gz RXWGCCTVRGEAOK-XJKSGUPXSA-N 1 0 340.807 3.460 20 5 EGBDRO COCC[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@H](C)c1ccccc1 ZINC000776580268 1304174144 /nfs/dbraw/zinc/17/41/44/1304174144.db2.gz RUVHYNWHUUFTEU-DNVCBOLYSA-N 1 0 344.411 3.338 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CC[C@H](Cc3ccccc3)C2)cc1 ZINC000776583915 1304175381 /nfs/dbraw/zinc/17/53/81/1304175381.db2.gz GYXCYPKYIVJIMO-VQIMIIECSA-N 1 0 326.396 3.193 20 5 EGBDRO O=[N+]([O-])c1cnn(C[N@@H+]2C[C@H](c3ccccc3)[C@H]3CCCC[C@@H]32)c1 ZINC000776770643 1304196155 /nfs/dbraw/zinc/19/61/55/1304196155.db2.gz BFABPYQXSVBBRL-KURKYZTESA-N 1 0 326.400 3.407 20 5 EGBDRO Cc1oc2ccccc2c1C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000777446109 1304297905 /nfs/dbraw/zinc/29/79/05/1304297905.db2.gz UPARJCHDQXAKEL-KRWDZBQOSA-N 1 0 326.352 3.473 20 5 EGBDRO O=[N+]([O-])c1ccc2nc(N3CCC[C@H]3C[NH+]3CCCC3)sc2c1 ZINC000777784829 1304346272 /nfs/dbraw/zinc/34/62/72/1304346272.db2.gz PPILCZCSFCUODH-ZDUSSCGKSA-N 1 0 332.429 3.269 20 5 EGBDRO C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1)C1=CC[N@H+](C)CC1 ZINC000781441007 1304828462 /nfs/dbraw/zinc/82/84/62/1304828462.db2.gz OEZYFSOMCKLGBQ-JTQLQIEISA-N 1 0 338.795 3.020 20 5 EGBDRO CCC(N)=[NH+]OCc1cc(OC)c(OC[C@H](C)CC)cc1[N+](=O)[O-] ZINC000781612771 1304848254 /nfs/dbraw/zinc/84/82/54/1304848254.db2.gz OTBLBGJIRKNLBL-LLVKDONJSA-N 1 0 339.392 3.437 20 5 EGBDRO Cc1ccncc1[C@H](C)[NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000782997778 1305034987 /nfs/dbraw/zinc/03/49/87/1305034987.db2.gz CKMOZIYXXKRECP-NSHDSACASA-N 1 0 348.790 3.241 20 5 EGBDRO COc1c(O)ccc(C[N@@H+]2CC[C@@H](c3ccccc3)C2)c1[N+](=O)[O-] ZINC000891629556 1305117639 /nfs/dbraw/zinc/11/76/39/1305117639.db2.gz GGZNIIQMZGSMQV-CQSZACIVSA-N 1 0 328.368 3.299 20 5 EGBDRO C[C@@H]1C[N@H+](CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)CC(C)(C)C1 ZINC000784008422 1305175211 /nfs/dbraw/zinc/17/52/11/1305175211.db2.gz SDSXRJMOPOWTDC-AWEZNQCLSA-N 1 0 346.431 3.162 20 5 EGBDRO CC(C)CC1CC[NH+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000784165716 1305200715 /nfs/dbraw/zinc/20/07/15/1305200715.db2.gz UCVQRAVRLIYMNL-INIZCTEOSA-N 1 0 336.432 3.093 20 5 EGBDRO COc1c(O)ccc(C[NH2+][C@H]2CCC[C@@H](SC)C2)c1[N+](=O)[O-] ZINC000892951078 1305624018 /nfs/dbraw/zinc/62/40/18/1305624018.db2.gz RJFOAHFZVRNUIS-NWDGAFQWSA-N 1 0 326.418 3.073 20 5 EGBDRO C[C@@H]1C[C@@H](CCNc2c([N+](=O)[O-])cnn2C)C[N@@H+]1Cc1ccccc1 ZINC000892956965 1305626859 /nfs/dbraw/zinc/62/68/59/1305626859.db2.gz ZPRNVFGABBBLED-GDBMZVCRSA-N 1 0 343.431 3.041 20 5 EGBDRO COc1c(O)ccc(C[NH2+]C[C@@H](c2cccnc2)C(C)C)c1[N+](=O)[O-] ZINC000893102345 1305707927 /nfs/dbraw/zinc/70/79/27/1305707927.db2.gz RWDCVIZYCPKNKR-OAHLLOKOSA-N 1 0 345.399 3.233 20 5 EGBDRO COc1c(O)ccc(C[NH2+]CCc2ccc(F)cc2C)c1[N+](=O)[O-] ZINC000893163489 1305739561 /nfs/dbraw/zinc/73/95/61/1305739561.db2.gz VHVYVJCCLMZUCB-UHFFFAOYSA-N 1 0 334.347 3.089 20 5 EGBDRO C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788502813 1305956587 /nfs/dbraw/zinc/95/65/87/1305956587.db2.gz LBFIPUXYDIAELB-YOEHRIQHSA-N 1 0 340.427 3.102 20 5 EGBDRO C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788502812 1305957292 /nfs/dbraw/zinc/95/72/92/1305957292.db2.gz LBFIPUXYDIAELB-WMLDXEAASA-N 1 0 340.427 3.102 20 5 EGBDRO C[C@@H](C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)Oc1ccccc1F ZINC000788607082 1305981007 /nfs/dbraw/zinc/98/10/07/1305981007.db2.gz COPWUXKPZGOSGL-RYUDHWBXSA-N 1 0 333.363 3.434 20 5 EGBDRO COc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)CCO2 ZINC000788749067 1306008888 /nfs/dbraw/zinc/00/88/88/1306008888.db2.gz BWWIMYWEPGLDQR-ZBEGNZNMSA-N 1 0 343.383 3.360 20 5 EGBDRO CCOC[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C(C)C ZINC000788985756 1306057471 /nfs/dbraw/zinc/05/74/71/1306057471.db2.gz QYZLZYAOUJNOEM-GOSISDBHSA-N 1 0 335.448 3.214 20 5 EGBDRO Cc1c(C[NH2+]Cc2ccc3c(c2)CCC(=O)N3C)cccc1[N+](=O)[O-] ZINC000791000012 1308906729 /nfs/dbraw/zinc/90/67/29/1308906729.db2.gz QVHYFLALCLYPKN-UHFFFAOYSA-N 1 0 339.395 3.102 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]CCO[C@H]1CCCCO1 ZINC000894798231 1309077906 /nfs/dbraw/zinc/07/79/06/1309077906.db2.gz ZMWOJSSMTMDZQL-IEZWGBDMSA-N 1 0 348.443 3.439 20 5 EGBDRO CCOC(=O)C1(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CCCC1 ZINC000792196966 1309142866 /nfs/dbraw/zinc/14/28/66/1309142866.db2.gz YKQHKQAZYYGJOR-UHFFFAOYSA-N 1 0 340.807 3.461 20 5 EGBDRO C[N@H+](Cn1cc(Br)c([N+](=O)[O-])n1)[C@H]1CCC(C)(C)C1 ZINC000794683903 1309575125 /nfs/dbraw/zinc/57/51/25/1309575125.db2.gz GQOXLVFHSSBZFM-VIFPVBQESA-N 1 0 331.214 3.022 20 5 EGBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)CCc1ccccc1[N+](=O)[O-] ZINC000796114489 1309911642 /nfs/dbraw/zinc/91/16/42/1309911642.db2.gz SPGLFQBXFJJSNT-UHFFFAOYSA-N 1 0 345.355 3.056 20 5 EGBDRO CC[NH+](CC)CC1CCN(C(=O)c2c(C)c(C)ccc2[N+](=O)[O-])CC1 ZINC000896626351 1309943534 /nfs/dbraw/zinc/94/35/34/1309943534.db2.gz RKKBEQTUXWBRCD-UHFFFAOYSA-N 1 0 347.459 3.406 20 5 EGBDRO C[C@@H](C(=O)N1CCCC2(CC[NH+](C)CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000799030162 1310470642 /nfs/dbraw/zinc/47/06/42/1310470642.db2.gz VQYKINAPERPQFZ-OAHLLOKOSA-N 1 0 345.443 3.033 20 5 EGBDRO CSCCC[N@H+](C)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000799159700 1310494619 /nfs/dbraw/zinc/49/46/19/1310494619.db2.gz KISIXHMRPFPMQM-UHFFFAOYSA-N 1 0 328.825 3.240 20 5 EGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](CCO)Cc1ccccc1 ZINC000799731032 1310607698 /nfs/dbraw/zinc/60/76/98/1310607698.db2.gz KVJOWSLYXMZFFQ-VQIMIIECSA-N 1 0 342.439 3.499 20 5 EGBDRO COC(=O)[C@@H](C)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1ccccc1 ZINC000801523140 1310952617 /nfs/dbraw/zinc/95/26/17/1310952617.db2.gz CKTSMGOVPMLRIA-SJCJKPOMSA-N 1 0 346.358 3.374 20 5 EGBDRO CC(C)([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)C(=O)Nc1ccccc1 ZINC000801524081 1310953246 /nfs/dbraw/zinc/95/32/46/1310953246.db2.gz OEPBIFWIPYXBIS-UHFFFAOYSA-N 1 0 331.347 3.241 20 5 EGBDRO CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1Br)C[C@@H]1CCOC1 ZINC000929287939 1328557149 /nfs/dbraw/zinc/55/71/49/1328557149.db2.gz QOESZPQEOKOYGV-NSHDSACASA-N 1 0 343.221 3.216 20 5 EGBDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000929399800 1328588297 /nfs/dbraw/zinc/58/82/97/1328588297.db2.gz VCIALMAWVNJNOY-ZTFGCOKTSA-N 1 0 345.443 3.079 20 5 EGBDRO CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000929601029 1328643369 /nfs/dbraw/zinc/64/33/69/1328643369.db2.gz LOJXDTGLUYLKAD-HNNXBMFYSA-N 1 0 339.823 3.079 20 5 EGBDRO C[C@@H](Nc1nc2ccccn2c1[N+](=O)[O-])[C@H](c1ccccc1)[NH+](C)C ZINC000804678084 1317273735 /nfs/dbraw/zinc/27/37/35/1317273735.db2.gz DBBCVJYXFRNXFF-CZUORRHYSA-N 1 0 339.399 3.346 20 5 EGBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)C(F)=C1CCCC1 ZINC001020071742 1317532786 /nfs/dbraw/zinc/53/27/86/1317532786.db2.gz SCLWEVVGSMHTGJ-SHTZXODSSA-N 1 0 347.390 3.129 20 5 EGBDRO C[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000903287249 1317683350 /nfs/dbraw/zinc/68/33/50/1317683350.db2.gz LXHGCQMVIBLRMR-ZIAGYGMSSA-N 1 0 348.424 3.108 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+]CC[C@@H](O)C2CC2)c2ccccc2)c1 ZINC000903407037 1317698104 /nfs/dbraw/zinc/69/81/04/1317698104.db2.gz MAHQZMHWKHDRAK-MOPGFXCFSA-N 1 0 326.396 3.435 20 5 EGBDRO O=C(C[N@@H+]1CCC[C@@H](C2CC2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000808776115 1317731904 /nfs/dbraw/zinc/73/19/04/1317731904.db2.gz CHVYHMFECCFVSL-GFCCVEGCSA-N 1 0 337.807 3.309 20 5 EGBDRO C[NH+](C)CCN(CCc1ccccc1)Cc1ccc([N+](=O)[O-])cc1F ZINC000809731314 1317882294 /nfs/dbraw/zinc/88/22/94/1317882294.db2.gz TTWVFDQFOOKCJE-UHFFFAOYSA-N 1 0 345.418 3.340 20 5 EGBDRO CC(C)(C)c1ncc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)s1 ZINC000809734372 1317883262 /nfs/dbraw/zinc/88/32/62/1317883262.db2.gz BXWKEYSGOJARJM-UHFFFAOYSA-N 1 0 334.445 3.314 20 5 EGBDRO CC[N@@H+]1C[C@H](C)N(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C[C@H]1C ZINC000809913628 1317916844 /nfs/dbraw/zinc/91/68/44/1317916844.db2.gz PVEBWRUJYGBLGT-MNOVXSKESA-N 1 0 340.811 3.195 20 5 EGBDRO CC(C)[N@@H+](Cc1ccc(NCC[N+](=O)[O-])cc1)C[C@H]1CCCCO1 ZINC000905328237 1317949227 /nfs/dbraw/zinc/94/92/27/1317949227.db2.gz GLWRYKACVOWDLX-GOSISDBHSA-N 1 0 335.448 3.155 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000810317234 1317997854 /nfs/dbraw/zinc/99/78/54/1317997854.db2.gz KSCMVSGQOFKDBJ-ZDUSSCGKSA-N 1 0 334.420 3.153 20 5 EGBDRO COc1ccccc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000905855064 1318008694 /nfs/dbraw/zinc/00/86/94/1318008694.db2.gz ZYYAHQQABAQURZ-CHWSQXEVSA-N 1 0 343.383 3.281 20 5 EGBDRO CC(C)(C(=O)O[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000810845793 1318063381 /nfs/dbraw/zinc/06/33/81/1318063381.db2.gz VSTTUARFWBHSRD-HZPDHXFCSA-N 1 0 332.400 3.042 20 5 EGBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1CCc2n[nH]cc2C1 ZINC000811481100 1318181653 /nfs/dbraw/zinc/18/16/53/1318181653.db2.gz ODHMBKCICQEIRT-LLVKDONJSA-N 1 0 341.198 3.272 20 5 EGBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]CCOc1cccnc1 ZINC000811479602 1318182311 /nfs/dbraw/zinc/18/23/11/1318182311.db2.gz JNIXJMLEKIJFLK-UHFFFAOYSA-N 1 0 342.182 3.465 20 5 EGBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1CCc2c[nH]nc2C1 ZINC000811483985 1318183250 /nfs/dbraw/zinc/18/32/50/1318183250.db2.gz SYCCHPLHAKSUSE-LLVKDONJSA-N 1 0 341.198 3.272 20 5 EGBDRO Cc1cc(C[NH+](C)C)ccc1NC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000909606118 1318500241 /nfs/dbraw/zinc/50/02/41/1318500241.db2.gz MHOKPIQFDORBMF-UHFFFAOYSA-N 1 0 341.411 3.454 20 5 EGBDRO CCc1nc(C)c(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)o1 ZINC000813887936 1318651581 /nfs/dbraw/zinc/65/15/81/1318651581.db2.gz WGKMQEWSKCJNKF-UHFFFAOYSA-N 1 0 344.415 3.212 20 5 EGBDRO C[NH2+]Cc1ccccc1NC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000911681876 1318758581 /nfs/dbraw/zinc/75/85/81/1318758581.db2.gz DLHDBRAZCLYGAU-HZPDHXFCSA-N 1 0 325.368 3.056 20 5 EGBDRO COc1ccc(CC[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)c(OC)c1 ZINC000815571860 1319018008 /nfs/dbraw/zinc/01/80/08/1319018008.db2.gz OFCZIWMIPGUTDW-GFCCVEGCSA-N 1 0 345.399 3.088 20 5 EGBDRO C[C@@H]([NH2+]C[C@H](O)c1ccccc1Cl)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815594320 1319024643 /nfs/dbraw/zinc/02/46/43/1319024643.db2.gz MABATMIJTBYCHF-HWPZZCPQSA-N 1 0 335.791 3.215 20 5 EGBDRO CC(C)[C@@H](C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccnn1C ZINC000815619258 1319029861 /nfs/dbraw/zinc/02/98/61/1319029861.db2.gz HYLOKHALOKOSKN-GXTWGEPZSA-N 1 0 331.420 3.001 20 5 EGBDRO C[NH+](C)Cc1cccc(CNC(=O)c2cccc([N+](=O)[O-])c2Cl)c1 ZINC000816860353 1319235326 /nfs/dbraw/zinc/23/53/26/1319235326.db2.gz IERZFIRTOVEVLN-UHFFFAOYSA-N 1 0 347.802 3.240 20 5 EGBDRO C[C@@H]1CC[N@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=O)[C@@H]2CCCC[C@@H]12 ZINC000915209361 1319442310 /nfs/dbraw/zinc/44/23/10/1319442310.db2.gz LRFIWHBUDLDVTI-VHDGCEQUSA-N 1 0 345.399 3.361 20 5 EGBDRO COC(OC)c1ccc(F)c(C[NH2+]CCc2ccccc2[N+](=O)[O-])c1 ZINC000818192571 1319515023 /nfs/dbraw/zinc/51/50/23/1319515023.db2.gz GJBCXALUFOFYBV-UHFFFAOYSA-N 1 0 348.374 3.358 20 5 EGBDRO Cc1cccc(C)c1OC[C@H](C)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818975264 1319600671 /nfs/dbraw/zinc/60/06/71/1319600671.db2.gz VJVAEXBXLGINPU-MAUKXSAKSA-N 1 0 344.411 3.302 20 5 EGBDRO CCC(CC)c1cc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)on1 ZINC000819107092 1319636922 /nfs/dbraw/zinc/63/69/22/1319636922.db2.gz UIDZQDUYCFQASF-KRWDZBQOSA-N 1 0 333.388 3.310 20 5 EGBDRO CC[C@H](C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)Oc1ccccc1C ZINC000819135380 1319645089 /nfs/dbraw/zinc/64/50/89/1319645089.db2.gz CJGGFDBQKCDUQK-MSOLQXFVSA-N 1 0 344.411 3.384 20 5 EGBDRO CCOc1cc(C)ccc1C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819149416 1319648957 /nfs/dbraw/zinc/64/89/57/1319648957.db2.gz JDABEFPAUXUJGQ-QGZVFWFLSA-N 1 0 330.384 3.125 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2CCOC3(CCCCC3)C2)cc1 ZINC000819175093 1319657793 /nfs/dbraw/zinc/65/77/93/1319657793.db2.gz UGAFNNSTYUMFQD-NVXWUHKLSA-N 1 0 334.416 3.100 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCC2Cc3ccccc3C2)c1 ZINC000819190119 1319661281 /nfs/dbraw/zinc/66/12/81/1319661281.db2.gz FFMLGZUUDMHNPH-IBGZPJMESA-N 1 0 326.396 3.023 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]Cc2cc(Cl)cc3c2OCC3)c1 ZINC000819230450 1319675723 /nfs/dbraw/zinc/67/57/23/1319675723.db2.gz YMTJCDVQUNBDST-INIZCTEOSA-N 1 0 348.786 3.006 20 5 EGBDRO COCCC1(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000819242643 1319679773 /nfs/dbraw/zinc/67/97/73/1319679773.db2.gz MCTRKCGUSWEVJH-QGZVFWFLSA-N 1 0 336.432 3.205 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H]2CCCc3ccc(F)cc32)cc1 ZINC000819277227 1319687254 /nfs/dbraw/zinc/68/72/54/1319687254.db2.gz DYQFXPDLRDQFIO-ZWKOTPCHSA-N 1 0 330.359 3.435 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)CNC[C@@H]2CCC[N@@H+]2C2CCCCC2)c1 ZINC000819286634 1319690126 /nfs/dbraw/zinc/69/01/26/1319690126.db2.gz PYSDWPYHXIKDBB-RBUKOAKNSA-N 1 0 347.459 3.015 20 5 EGBDRO O=[N+]([O-])c1ccc(F)cc1C[NH+]1C[C@H]2CN(c3ccccc3)C[C@@H]2C1 ZINC000917082201 1319751626 /nfs/dbraw/zinc/75/16/26/1319751626.db2.gz KNUHCKFBRQUGFK-HOTGVXAUSA-N 1 0 341.386 3.302 20 5 EGBDRO O=[N+]([O-])c1ccc(F)cc1C[NH+]1C[C@@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000917082202 1319752212 /nfs/dbraw/zinc/75/22/12/1319752212.db2.gz KNUHCKFBRQUGFK-HZPDHXFCSA-N 1 0 341.386 3.302 20 5 EGBDRO Cc1c(C[NH2+]Cc2ccc(N3CCCC3=O)cc2)cccc1[N+](=O)[O-] ZINC000917134035 1319761132 /nfs/dbraw/zinc/76/11/32/1319761132.db2.gz ICGPPIRQYQCRSU-UHFFFAOYSA-N 1 0 339.395 3.320 20 5 EGBDRO CC(C)[NH2+]C1CCN(c2cccc(Br)c2[N+](=O)[O-])CC1 ZINC000820651252 1319927176 /nfs/dbraw/zinc/92/71/76/1319927176.db2.gz CWYOGSSKLUZMCF-UHFFFAOYSA-N 1 0 342.237 3.324 20 5 EGBDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000822156731 1320058329 /nfs/dbraw/zinc/05/83/29/1320058329.db2.gz WEHRXMGJCILYKI-ZDUSSCGKSA-N 1 0 337.395 3.118 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCCC1CC[NH+](C(C)C)CC1 ZINC000825328765 1320328466 /nfs/dbraw/zinc/32/84/66/1320328466.db2.gz POPJNAPKUAUTPE-UHFFFAOYSA-N 1 0 347.459 3.452 20 5 EGBDRO Cc1cc(Cl)c(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000826069176 1320381454 /nfs/dbraw/zinc/38/14/54/1320381454.db2.gz SWEPZRCNXUCFJY-LLVKDONJSA-N 1 0 341.839 3.263 20 5 EGBDRO CC[NH+](CC)CCCCNC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000827515284 1320458264 /nfs/dbraw/zinc/45/82/64/1320458264.db2.gz AGBFPYZTVNKIBT-UHFFFAOYSA-N 1 0 341.839 3.408 20 5 EGBDRO CC[C@@H]1OCC[C@H]1[NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000839192272 1320891321 /nfs/dbraw/zinc/89/13/21/1320891321.db2.gz NXQXBUKOMASQPX-YPMHNXCESA-N 1 0 329.194 3.014 20 5 EGBDRO C[C@H](C1CC1)[N@H+](CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC000839463174 1320925186 /nfs/dbraw/zinc/92/51/86/1320925186.db2.gz APWSHMOITCRPBH-SNVBAGLBSA-N 1 0 337.807 3.450 20 5 EGBDRO CC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1Br)[C@@H]1CCCO1 ZINC000839552655 1320936638 /nfs/dbraw/zinc/93/66/38/1320936638.db2.gz SECQRZJHFNZJPS-YPMHNXCESA-N 1 0 343.221 3.405 20 5 EGBDRO CC(C)[C@@H]1C[N@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)CCCO1 ZINC000840093648 1321028071 /nfs/dbraw/zinc/02/80/71/1321028071.db2.gz CDEPDSZRDOUOPA-SFHVURJKSA-N 1 0 344.415 3.163 20 5 EGBDRO CN(C(=O)c1ccc([N+](=O)[O-])c(Cl)c1)C(C)(C)C[NH+]1CCCC1 ZINC000841370661 1321266038 /nfs/dbraw/zinc/26/60/38/1321266038.db2.gz QFJASJAWOZPPNG-UHFFFAOYSA-N 1 0 339.823 3.195 20 5 EGBDRO Cc1cc(NC(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000930732569 1328952837 /nfs/dbraw/zinc/95/28/37/1328952837.db2.gz NEDCMXGEEYKGLT-OAHLLOKOSA-N 1 0 346.431 3.099 20 5 EGBDRO Cc1c(CC(=O)OC[C@@H]2CCC[N@@H+](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000842833859 1321438879 /nfs/dbraw/zinc/43/88/79/1321438879.db2.gz PFJPSBYMHCDGMI-OAHLLOKOSA-N 1 0 334.416 3.109 20 5 EGBDRO CC(C)[N@@H+]1CCC[C@@H](COC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000842836553 1321440126 /nfs/dbraw/zinc/44/01/26/1321440126.db2.gz PSBHQVHHGBZDKL-CYBMUJFWSA-N 1 0 345.399 3.353 20 5 EGBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000845544265 1321717267 /nfs/dbraw/zinc/71/72/67/1321717267.db2.gz IUYUCLWIKNFEEK-QWRGUYRKSA-N 1 0 327.787 3.450 20 5 EGBDRO C[N@@H+]1CCC[C@]2(CCN(c3cc(Cl)c(F)cc3[N+](=O)[O-])C2)C1 ZINC000845553478 1321717824 /nfs/dbraw/zinc/71/78/24/1321717824.db2.gz VAOOPPJVIWQFIH-HNNXBMFYSA-N 1 0 327.787 3.309 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1cnn(C[N@@H+]2CC[C@@H](c3cccnc3)C2)c1 ZINC000848488220 1321965304 /nfs/dbraw/zinc/96/53/04/1321965304.db2.gz AAQRNAXCFHOGNC-MRXNPFEDSA-N 1 0 349.394 3.300 20 5 EGBDRO COc1ccc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1[N+](=O)[O-] ZINC000848525596 1321969284 /nfs/dbraw/zinc/96/92/84/1321969284.db2.gz OGRIRHXHAJGCBU-CQSZACIVSA-N 1 0 343.339 3.289 20 5 EGBDRO Cc1cc(C)cc(NC(=[NH2+])NCCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000849100325 1322078619 /nfs/dbraw/zinc/07/86/19/1322078619.db2.gz NHTGTYNVKJCQRD-UHFFFAOYSA-N 1 0 328.372 3.227 20 5 EGBDRO CC(C)CCNC(=[NH2+])NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000849109401 1322082013 /nfs/dbraw/zinc/08/20/13/1322082013.db2.gz OIGYGNVNWSKHSH-UHFFFAOYSA-N 1 0 332.326 3.274 20 5 EGBDRO C[S@](=O)[C@H]1CCC[C@@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000850357052 1322233422 /nfs/dbraw/zinc/23/34/22/1322233422.db2.gz XCFWDFDLZKHCRQ-BHVCSQLQSA-N 1 0 330.837 3.028 20 5 EGBDRO C[C@H](CN(C)C(=O)OC(C)(C)C)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000850578474 1322272322 /nfs/dbraw/zinc/27/23/22/1322272322.db2.gz LMHGJVZHGYXWNV-IUODEOHRSA-N 1 0 349.431 3.427 20 5 EGBDRO CN(CCCC[NH+]1CCCCC1)C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000922335297 1322504493 /nfs/dbraw/zinc/50/44/93/1322504493.db2.gz OWWWXOKKOOGRGY-UHFFFAOYSA-N 1 0 337.395 3.072 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@H]1CCCN1CC(F)(F)F ZINC000922708728 1322599031 /nfs/dbraw/zinc/59/90/31/1322599031.db2.gz MBFJDQRDQHISLY-BOTMBNHJSA-N 1 0 343.349 3.224 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCO[C@@H]2CCOC2)s1 ZINC000922940325 1322654464 /nfs/dbraw/zinc/65/44/64/1322654464.db2.gz YAUWNNZYLIFBLJ-CYBMUJFWSA-N 1 0 348.424 3.218 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CO)c2ccccc2C(F)(F)F)cc1 ZINC000922983620 1322669106 /nfs/dbraw/zinc/66/91/06/1322669106.db2.gz BHVPVHPFFISVKL-HNNXBMFYSA-N 1 0 340.301 3.437 20 5 EGBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2Cl)C1 ZINC000859707959 1329060131 /nfs/dbraw/zinc/06/01/31/1329060131.db2.gz YNOGVBTYIYQKPK-LBPRGKRZSA-N 1 0 339.823 3.052 20 5 EGBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2Cl)C1 ZINC000859707958 1329060461 /nfs/dbraw/zinc/06/04/61/1329060461.db2.gz YNOGVBTYIYQKPK-GFCCVEGCSA-N 1 0 339.823 3.052 20 5 EGBDRO C[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])[C@H](CO)Cc1ccccc1 ZINC000852288972 1323174691 /nfs/dbraw/zinc/17/46/91/1323174691.db2.gz HDLLDTLYASUUTO-INIZCTEOSA-N 1 0 334.803 3.284 20 5 EGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)c([N+](=O)[O-])c1 ZINC000852595867 1323214199 /nfs/dbraw/zinc/21/41/99/1323214199.db2.gz JHCJBPCLVBPKMA-YOEHRIQHSA-N 1 0 349.387 3.284 20 5 EGBDRO CN(c1ccccc1)[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000852654051 1323221809 /nfs/dbraw/zinc/22/18/09/1323221809.db2.gz FDGJHCGUYHNRRJ-MRXNPFEDSA-N 1 0 329.375 3.445 20 5 EGBDRO C[C@@H]1C[N@H+](Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)[C@H]2CCCC[C@@H]12 ZINC000853506528 1325108851 /nfs/dbraw/zinc/10/88/51/1325108851.db2.gz NMRYBOAMJBGJJX-YCPHGPKFSA-N 1 0 341.415 3.321 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(N2CCC3(CCC([NH+](C)C)CC3)CC2)n1 ZINC000853651024 1325141406 /nfs/dbraw/zinc/14/14/06/1325141406.db2.gz ZRMURNPFAMSERE-UHFFFAOYSA-N 1 0 332.448 3.389 20 5 EGBDRO COc1cc(N[C@@H]2CC[N@@H+](C3CCCCC3)C2)c([N+](=O)[O-])cc1OC ZINC000853849686 1325171142 /nfs/dbraw/zinc/17/11/42/1325171142.db2.gz CNPGXGVOWSKEGP-CYBMUJFWSA-N 1 0 349.431 3.431 20 5 EGBDRO Cc1ccc(-c2noc(-c3cc4c(s3)CC[NH2+]C4)n2)cc1[N+](=O)[O-] ZINC000854137441 1325216934 /nfs/dbraw/zinc/21/69/34/1325216934.db2.gz WGAHWASWOVEHET-UHFFFAOYSA-N 1 0 342.380 3.327 20 5 EGBDRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000855161126 1325358502 /nfs/dbraw/zinc/35/85/02/1325358502.db2.gz LJRWMUGNPUYZBN-LLVKDONJSA-N 1 0 339.823 3.098 20 5 EGBDRO Cc1cc(F)cc(C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)c1[N+](=O)[O-] ZINC000855810407 1325419720 /nfs/dbraw/zinc/41/97/20/1325419720.db2.gz YGJZFQYWCMROEP-AWEZNQCLSA-N 1 0 349.406 3.179 20 5 EGBDRO Cn1nc(C2CC2)cc1C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000927103088 1327863693 /nfs/dbraw/zinc/86/36/93/1327863693.db2.gz XQWQXKFSRBKAMD-QGZVFWFLSA-N 1 0 326.400 3.373 20 5 EGBDRO C[C@@H](NC(=O)c1sccc1C[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000928250164 1328256136 /nfs/dbraw/zinc/25/61/36/1328256136.db2.gz YXUPMFYXXULEOU-LLVKDONJSA-N 1 0 333.413 3.209 20 5 EGBDRO C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000928249996 1328256401 /nfs/dbraw/zinc/25/64/01/1328256401.db2.gz YCVZRUXQPNGNMJ-DYVFJYSZSA-N 1 0 331.416 3.179 20 5 EGBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000929119169 1328510820 /nfs/dbraw/zinc/51/08/20/1328510820.db2.gz AYMOPZCMDMEBGG-CQSZACIVSA-N 1 0 334.420 3.099 20 5 EGBDRO C[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000932182077 1329791600 /nfs/dbraw/zinc/79/16/00/1329791600.db2.gz IOKLZAQIQPMYFK-LXTVHRRPSA-N 1 0 333.432 3.138 20 5 EGBDRO Cc1nc(CC2CC[NH+](Cc3cccc([N+](=O)[O-])c3C)CC2)no1 ZINC000932247513 1329800110 /nfs/dbraw/zinc/80/01/10/1329800110.db2.gz OOWORSRUOLDKNS-UHFFFAOYSA-N 1 0 330.388 3.049 20 5 EGBDRO C[C@H](COCC1CCCCC1)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000932420867 1329813351 /nfs/dbraw/zinc/81/33/51/1329813351.db2.gz JBOJNCMSNABVIU-KDOFPFPSSA-N 1 0 336.432 3.203 20 5 EGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@](C)(O)c1cccs1 ZINC000866270491 1330088577 /nfs/dbraw/zinc/08/85/77/1330088577.db2.gz PIFDLMBODHDKCN-MEDUHNTESA-N 1 0 338.404 3.224 20 5 EGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000866311442 1330094536 /nfs/dbraw/zinc/09/45/36/1330094536.db2.gz KYVRZSGWYIPCDL-PREXVCJDSA-N 1 0 334.391 3.212 20 5 EGBDRO Cc1cccc(C[C@@H](CO)[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])c1 ZINC000866345896 1330100086 /nfs/dbraw/zinc/10/00/86/1330100086.db2.gz SUADXYLCHXWBBC-KDOFPFPSSA-N 1 0 346.402 3.167 20 5 EGBDRO C[C@@H]1C[NH2+]CCC[C@H]1Oc1ccc([N+](=O)[O-])cc1Br ZINC001217988507 1373528301 /nfs/dbraw/zinc/52/83/01/1373528301.db2.gz QLXCDDMENCVMJE-BXKDBHETSA-N 1 0 329.194 3.124 20 5 EGBDRO CC(C)CC(=O)N1CC2(C1)CC[NH+](Cc1cccc([N+](=O)[O-])c1)CC2 ZINC001050412243 1348256196 /nfs/dbraw/zinc/25/61/96/1348256196.db2.gz YKTCDANMHWTSPJ-UHFFFAOYSA-N 1 0 345.443 3.065 20 5 EGBDRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)C1CCCCC1 ZINC001086016706 1358966279 /nfs/dbraw/zinc/96/62/79/1358966279.db2.gz DMSFQMOKCBTMLH-WOVMCDHWSA-N 1 0 345.443 3.160 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)cc(-c2nc([C@@H]3C[NH+]4CCC3CC4)no2)c1 ZINC001323913604 1387495067 /nfs/dbraw/zinc/49/50/67/1387495067.db2.gz BGGBQSSHNDFNNQ-CYBMUJFWSA-N 1 0 334.763 3.107 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)Cc1ccc(C(N)=O)cc1 ZINC001324014008 1387508889 /nfs/dbraw/zinc/50/88/89/1387508889.db2.gz GHPOSJDGDCJQLJ-GXDHUFHOSA-N 1 0 339.395 3.229 20 5 EGBDRO CCCC1CC[NH+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1 ZINC001324198785 1387555184 /nfs/dbraw/zinc/55/51/84/1387555184.db2.gz QPLUYPVNXNADHB-UHFFFAOYSA-N 1 0 347.415 3.405 20 5 EGBDRO Cc1cc(N2CC[NH+](C(C)(C)C)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC001324926754 1387827011 /nfs/dbraw/zinc/82/70/11/1387827011.db2.gz GHIGCALWOQCIIX-UHFFFAOYSA-N 1 0 328.416 3.372 20 5 EGBDRO CC/C=C(\C)C(=O)N1CCC([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC001199575897 1369239202 /nfs/dbraw/zinc/23/92/02/1369239202.db2.gz BXRROZVRANYXFQ-UUILKARUSA-N 1 0 337.445 3.093 20 5 EGBDRO CC/C=C(\C)C(=O)N1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001199586251 1369241323 /nfs/dbraw/zinc/24/13/23/1369241323.db2.gz SUUZZAAYEVXWCY-MKMNVTDBSA-N 1 0 331.416 3.032 20 5 EGBDRO CC/C(C)=C\C(=O)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001200406461 1369362068 /nfs/dbraw/zinc/36/20/68/1369362068.db2.gz SZQGJHLXWBIIIZ-OWBHPGMISA-N 1 0 331.416 3.032 20 5 EGBDRO [NH3+][C@@H]1C[C@@H](O)CN(Cc2ccc3ccc4cccc5ccc2c3c45)C1 ZINC001204957268 1370614710 /nfs/dbraw/zinc/61/47/10/1370614710.db2.gz QPJJZABVAHGXPQ-RTBURBONSA-N 1 0 330.431 3.478 20 5 EGBDRO Cc1ccc([C@H](C)NC(=O)N[C@H]2CCCC[C@H]2[NH+](C)C)cc1[N+](=O)[O-] ZINC001116225521 1370862812 /nfs/dbraw/zinc/86/28/12/1370862812.db2.gz LSKOGHINDVLXHL-CWRNSKLLSA-N 1 0 348.447 3.136 20 5 EGBDRO CC[NH+]1CCN(Cc2ccc(Nc3ccccc3[N+](=O)[O-])cc2)CC1 ZINC001206164417 1370977066 /nfs/dbraw/zinc/97/70/66/1370977066.db2.gz KDQFVZLEZPXZEM-UHFFFAOYSA-N 1 0 340.427 3.476 20 5 EGBDRO C[C@@H]1CCCN(C(=O)CC[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC001116821998 1370981319 /nfs/dbraw/zinc/98/13/19/1370981319.db2.gz SDALLBKIJBNCSO-KDOFPFPSSA-N 1 0 345.443 3.210 20 5 EGBDRO Cc1noc(C[N@@H+]2CCC[C@H](c3nc4ccccc4[nH]3)C2)c1[N+](=O)[O-] ZINC001118496128 1371189197 /nfs/dbraw/zinc/18/91/97/1371189197.db2.gz OINXIKREZBHQPF-LBPRGKRZSA-N 1 0 341.371 3.147 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)c2ncnc(N[C@H]3CC[N@@H+]4CCCC[C@@H]34)c2c1 ZINC001118579019 1371201743 /nfs/dbraw/zinc/20/17/43/1371201743.db2.gz SXZANNLGAJYRIV-KBPBESRZSA-N 1 0 347.806 3.230 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](C)c1ccc(Cl)c(F)c1 ZINC001119252740 1371290609 /nfs/dbraw/zinc/29/06/09/1371290609.db2.gz NXYIXJULAYLVPW-SECBINFHSA-N 1 0 326.759 3.243 20 5 EGBDRO Cc1nccc(-c2nc(-c3ccc(C[NH+](C)C)cc3)no2)c1[N+](=O)[O-] ZINC001214099737 1373008833 /nfs/dbraw/zinc/00/88/33/1373008833.db2.gz UWPOPMCMCOJERU-UHFFFAOYSA-N 1 0 339.355 3.077 20 5 EGBDRO C[NH2+][C@H]1C[C@@H](Oc2cc(C(F)(F)F)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC001217957297 1373519525 /nfs/dbraw/zinc/51/95/25/1373519525.db2.gz WPRNLFJLFAURLV-WAAGHKOSSA-N 1 0 341.289 3.291 20 5 EGBDRO C[C@@H]1C[NH2+]CCC[C@@H]1Oc1ccc2c(c1)oc1cc(O)ccc1c2=O ZINC001217986575 1373527595 /nfs/dbraw/zinc/52/75/95/1373527595.db2.gz GBRVJPIMIYRVOD-PXAZEXFGSA-N 1 0 339.391 3.419 20 5 EGBDRO C[C@@H]1C[NH2+]CCC[C@@H]1Oc1c(Br)c(F)ccc1[N+](=O)[O-] ZINC001217994743 1373529585 /nfs/dbraw/zinc/52/95/85/1373529585.db2.gz UXNQSSFSCPYZHC-KCJUWKMLSA-N 1 0 347.184 3.263 20 5 EGBDRO C[C@H]1CC[NH2+]CC[C@H]1Oc1cc(N2CCCCC2)ccc1[N+](=O)[O-] ZINC001218032429 1373544165 /nfs/dbraw/zinc/54/41/65/1373544165.db2.gz ZPJMZWZQLOFFJT-WMLDXEAASA-N 1 0 333.432 3.352 20 5 EGBDRO CCC(C)(C)c1cc([N+](=O)[O-])c(O[C@@H]2C[NH2+][C@H](C)C2)c([N+](=O)[O-])c1 ZINC001218047956 1373547520 /nfs/dbraw/zinc/54/75/20/1373547520.db2.gz MSYHRHQJZAGITM-PWSUYJOCSA-N 1 0 337.376 3.320 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1ccc(OC[C@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC001218073179 1373554919 /nfs/dbraw/zinc/55/49/19/1373554919.db2.gz JSEAKVWACYNLGO-MRXNPFEDSA-N 1 0 340.379 3.162 20 5 EGBDRO O=[N+]([O-])c1cccc(Br)c1O[C@H]1CCC[C@]12CC[NH2+]C2 ZINC001218092607 1373558620 /nfs/dbraw/zinc/55/86/20/1373558620.db2.gz ILSBAYYAWOSZAT-GXTWGEPZSA-N 1 0 341.205 3.268 20 5 EGBDRO O=[N+]([O-])c1cc(Br)cc(O[C@H]2CCC[C@@]23CC[NH2+]C3)c1 ZINC001218098876 1373560098 /nfs/dbraw/zinc/56/00/98/1373560098.db2.gz XACNHNDHOGKCSO-KBPBESRZSA-N 1 0 341.205 3.268 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCCCC2)cc1OC1CC2(C1)CCC[NH2+]C2 ZINC001218254579 1373584656 /nfs/dbraw/zinc/58/46/56/1373584656.db2.gz COOOCPATWYFBMC-UHFFFAOYSA-N 1 0 345.443 3.496 20 5 EGBDRO O=[N+]([O-])c1ccc2nc(O[C@H]3CCC[NH2+]C3)cc(C(F)(F)F)c2c1 ZINC001218285004 1373588601 /nfs/dbraw/zinc/58/86/01/1373588601.db2.gz AIDMEQQCEIOSCL-JTQLQIEISA-N 1 0 341.289 3.293 20 5 EGBDRO O=[N+]([O-])c1cc(Br)cc(O[C@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC001218309461 1373593096 /nfs/dbraw/zinc/59/30/96/1373593096.db2.gz RLXWZCOOLGPBKE-LBPRGKRZSA-N 1 0 341.205 3.411 20 5 EGBDRO Cc1cc(Br)cc([N+](=O)[O-])c1O[C@H]1CC[NH2+]CC1(C)C ZINC001218316205 1373594436 /nfs/dbraw/zinc/59/44/36/1373594436.db2.gz MPBBPKYANZSGDI-LBPRGKRZSA-N 1 0 343.221 3.433 20 5 EGBDRO CC1(CC(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)CCCCC1 ZINC001131140275 1373650237 /nfs/dbraw/zinc/65/02/37/1373650237.db2.gz JHDCYRDPNAEBCS-UHFFFAOYSA-N 1 0 339.461 3.223 20 5 EGBDRO O=C(NC1CC2(C1)CC[NH2+]CC2)c1cccc2nc3ccccc3nc21 ZINC001219784619 1373732685 /nfs/dbraw/zinc/73/26/85/1373732685.db2.gz GLLHASMDJPEIJA-UHFFFAOYSA-N 1 0 346.434 3.045 20 5 EGBDRO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1Oc1ncccc1[N+](=O)[O-] ZINC001225589829 1375127549 /nfs/dbraw/zinc/12/75/49/1375127549.db2.gz FRAOKBPTNJVJSK-PBHICJAKSA-N 1 0 327.384 3.279 20 5 EGBDRO CC[NH+](CC)C[C@H](C)Oc1ccc(Br)cc1[N+](=O)[O-] ZINC001225658238 1375140166 /nfs/dbraw/zinc/14/01/66/1375140166.db2.gz BROWDDJIPBIVQP-JTQLQIEISA-N 1 0 331.210 3.466 20 5 EGBDRO Cc1ccnc(N2CCC(Oc3ccc(F)cc3[N+](=O)[O-])CC2)c1 ZINC001225907026 1375173636 /nfs/dbraw/zinc/17/36/36/1375173636.db2.gz HYDKENYWFVPDDY-UHFFFAOYSA-N 1 0 331.347 3.485 20 5 EGBDRO CC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC001226040777 1375193629 /nfs/dbraw/zinc/19/36/29/1375193629.db2.gz ILKXAJIMOSQAAA-UHFFFAOYSA-N 1 0 329.194 3.220 20 5 EGBDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1cc([N+](=O)[O-])c(F)cc1Cl ZINC001226197961 1375219146 /nfs/dbraw/zinc/21/91/46/1375219146.db2.gz JOLDOCKYDPGICW-RTUWITSCSA-N 1 0 328.771 3.496 20 5 EGBDRO CC[N@@H+]1CCC[C@@H](Oc2ncnc3cc(Cl)c([N+](=O)[O-])cc32)C1 ZINC001227364181 1375422863 /nfs/dbraw/zinc/42/28/63/1375422863.db2.gz MYPPYHJAYUKDQY-SNVBAGLBSA-N 1 0 336.779 3.055 20 5 EGBDRO O=[N+]([O-])c1cc(OC(F)(F)F)ccc1O[C@H]1CCc2nccn2C1 ZINC001227604195 1375452115 /nfs/dbraw/zinc/45/21/15/1375452115.db2.gz RPLPVQNOQHFCCE-JTQLQIEISA-N 1 0 343.261 3.084 20 5 EGBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Oc1cncc([N+](=O)[O-])c1 ZINC001227990025 1375499477 /nfs/dbraw/zinc/49/94/77/1375499477.db2.gz DNXYYJJELAEPNC-KBXCAEBGSA-N 1 0 327.384 3.279 20 5 EGBDRO C[C@H](C[N+](C)(C)C)Oc1nc(=S)[nH]c2sc3c(c21)CCCC3 ZINC001229287210 1375801292 /nfs/dbraw/zinc/80/12/92/1375801292.db2.gz GRISGOWKSFJBDD-SNVBAGLBSA-O 1 0 338.522 3.332 20 5 EGBDRO CC[N@@H+]1CC[C@H](Oc2ccc3c(c2)oc2cc(O)ccc2c3=O)C1 ZINC001229516196 1375849795 /nfs/dbraw/zinc/84/97/95/1375849795.db2.gz ILEIGAOZTCIHOP-AWEZNQCLSA-N 1 0 325.364 3.125 20 5 EGBDRO C[N@H+](C1CC1)[C@H]1CCN(Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232226641 1376419245 /nfs/dbraw/zinc/41/92/45/1376419245.db2.gz VOMWPHZYRSHEEB-IBGZPJMESA-N 1 0 332.451 3.452 20 5 EGBDRO C[C@@H](C[N+](C)(C)C)Oc1cc(C(=O)OC(C)(C)C)ccc1[N+](=O)[O-] ZINC001233531290 1376661838 /nfs/dbraw/zinc/66/18/38/1376661838.db2.gz MNWLSVJQUBTZIR-LBPRGKRZSA-N 1 0 339.412 3.024 20 5 EGBDRO CC(C)[NH+]1CCC(Oc2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC001233744768 1376710303 /nfs/dbraw/zinc/71/03/03/1376710303.db2.gz DGTHVRJVBMNFHP-UHFFFAOYSA-N 1 0 333.310 3.260 20 5 EGBDRO CC[N@@H+]1CCC[C@@H](Oc2cc(N3CCCCC3)ccc2[N+](=O)[O-])C1 ZINC001234368812 1376821325 /nfs/dbraw/zinc/82/13/25/1376821325.db2.gz OJIHMMCRLSQLJN-MRXNPFEDSA-N 1 0 333.432 3.448 20 5 EGBDRO CC(C)(O)C(=O)Nc1cc2oc3cc(=[NH2+])ccc-3nc2c2ccccc12 ZINC001142904056 1378506990 /nfs/dbraw/zinc/50/69/90/1378506990.db2.gz IJSDBRXUUVWOLC-UHFFFAOYSA-N 1 0 347.374 3.275 20 5 EGBDRO CC(C)c1ccsc1C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001152127456 1379867627 /nfs/dbraw/zinc/86/76/27/1379867627.db2.gz XNBJDKYEIVFBJU-UHFFFAOYSA-N 1 0 347.440 3.299 20 5 EGBDRO CC(C)(C)C12CC(C(=O)NCC[NH2+]Cc3cccc([N+](=O)[O-])c3)(C1)C2 ZINC001152970027 1380000728 /nfs/dbraw/zinc/00/07/28/1380000728.db2.gz OYAXJFGXPXZPHJ-UHFFFAOYSA-N 1 0 345.443 3.017 20 5 EGBDRO Cc1cc(Cl)c([N+](=O)[O-])c(-n2c3ccccc3nc2[C@@H](C)[NH3+])n1 ZINC001155247504 1380428817 /nfs/dbraw/zinc/42/88/17/1380428817.db2.gz JNEQPOXAZUERLJ-SECBINFHSA-N 1 0 331.763 3.310 20 5 EGBDRO Cc1cc(N2C[C@@H]([NH3+])Cc3ccccc32)nc2ccc([N+](=O)[O-])cc12 ZINC001155298741 1380434763 /nfs/dbraw/zinc/43/47/63/1380434763.db2.gz WYEQCVICHLIARN-AWEZNQCLSA-N 1 0 334.379 3.473 20 5 EGBDRO O=C(C=C1CCCCC1)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001155324294 1380437091 /nfs/dbraw/zinc/43/70/91/1380437091.db2.gz MNQAQVUFACFWNW-UHFFFAOYSA-N 1 0 331.416 3.081 20 5 EGBDRO Cc1nc(Cl)nc(-n2ccc3cc([C@@H](C)[NH3+])ccc32)c1[N+](=O)[O-] ZINC001155340222 1380438902 /nfs/dbraw/zinc/43/89/02/1380438902.db2.gz MNMLFEZWYIHLEN-MRVPVSSYSA-N 1 0 331.763 3.310 20 5 EGBDRO O=[N+]([O-])c1cc2ccccc2nc1N[C@H]1C[NH2+]Cc2ccsc21 ZINC001155563033 1380469238 /nfs/dbraw/zinc/46/92/38/1380469238.db2.gz ZQLKWVSDJIOALH-ZDUSSCGKSA-N 1 0 326.381 3.461 20 5 EGBDRO C[C@@H](C[NH+](C)C)NC(=O)c1cc(=S)cc2[nH]c3ccccc3nc1-2 ZINC001155997023 1380511959 /nfs/dbraw/zinc/51/19/59/1380511959.db2.gz KLKKUCMRZXDONN-NSHDSACASA-N 1 0 340.452 3.077 20 5 EGBDRO Cc1nc(Cl)nc(NCc2cccc(C[NH+](C)C)c2)c1[N+](=O)[O-] ZINC001156044902 1380516814 /nfs/dbraw/zinc/51/68/14/1380516814.db2.gz VFGCPFQCXFRSTC-UHFFFAOYSA-N 1 0 335.795 3.020 20 5 EGBDRO C[N@@H+]1CCC[C@@H](CCNc2cc([N+](=O)[O-])cc3c(Cl)ncnc23)C1 ZINC001156386059 1380568840 /nfs/dbraw/zinc/56/88/40/1380568840.db2.gz NTWRGQPFCYWWQC-NSHDSACASA-N 1 0 349.822 3.335 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(NCC2CC[NH+](C(C)C)CC2)nc1Cl ZINC001156495995 1380583908 /nfs/dbraw/zinc/58/39/08/1380583908.db2.gz SLIWAVJJFXJSBP-UHFFFAOYSA-N 1 0 326.828 3.484 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)cnc1N(Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC001157425558 1380882848 /nfs/dbraw/zinc/88/28/48/1380882848.db2.gz AJOHVIAGJIVDHV-HNNXBMFYSA-N 1 0 346.818 3.402 20 5 EGBDRO O=[N+]([O-])c1c(Cl)c2ccccc2nc1-n1ccc2c1CC[NH2+]C2 ZINC001157444327 1380898779 /nfs/dbraw/zinc/89/87/79/1380898779.db2.gz KKUYYBSCFZBYND-UHFFFAOYSA-N 1 0 328.759 3.233 20 5 EGBDRO C[NH2+]CCN(c1cc([N+](=O)[O-])cc2c(Cl)ncnc21)C(C)(C)C ZINC001157835385 1381047610 /nfs/dbraw/zinc/04/76/10/1381047610.db2.gz ARGKAWWHPKAHBO-UHFFFAOYSA-N 1 0 337.811 3.016 20 5 EGBDRO [NH3+][C@@H]1CCc2nn(-c3ccc4ccc5ccc(Cl)nc5c4n3)cc2C1 ZINC001157990729 1381095238 /nfs/dbraw/zinc/09/52/38/1381095238.db2.gz WOCXJXWOQBTSSV-CQSZACIVSA-N 1 0 349.825 3.438 20 5 EGBDRO CC(C)N(c1cc(Cl)nc2ccc([N+](=O)[O-])cc21)[C@H]1CC[NH2+]C1 ZINC001158032484 1381108015 /nfs/dbraw/zinc/10/80/15/1381108015.db2.gz GAQBFWJJOCLUFT-LBPRGKRZSA-N 1 0 334.807 3.373 20 5 EGBDRO CC(C)N(c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1)[C@@H]1CC[NH2+]C1 ZINC001158035264 1381108992 /nfs/dbraw/zinc/10/89/92/1381108992.db2.gz QXZCLGLWFCFAHX-OAHLLOKOSA-N 1 0 344.390 3.373 20 5 EGBDRO COc1ccc2c(c1)c(CC[NH3+])c(C)n2-c1ncc([N+](=O)[O-])cc1C ZINC001158291669 1381187748 /nfs/dbraw/zinc/18/77/48/1381187748.db2.gz AGHWPABDYMUIPO-UHFFFAOYSA-N 1 0 340.383 3.060 20 5 EGBDRO C[C@@]1(C[NH3+])CCCN(c2cc(Cl)nc3ccc([N+](=O)[O-])cc32)C1 ZINC001158684251 1381352142 /nfs/dbraw/zinc/35/21/42/1381352142.db2.gz MUSVSUFANBPRER-INIZCTEOSA-N 1 0 334.807 3.362 20 5 EGBDRO C[C@]1(C[NH3+])CCCN(c2cc(Cl)nc3ccc([N+](=O)[O-])cc32)C1 ZINC001158684252 1381352280 /nfs/dbraw/zinc/35/22/80/1381352280.db2.gz MUSVSUFANBPRER-MRXNPFEDSA-N 1 0 334.807 3.362 20 5 EGBDRO O=[N+]([O-])/C=C/c1ccc(Nc2cccc(CN3CC[NH2+]CC3)c2)cc1 ZINC001159631916 1381854612 /nfs/dbraw/zinc/85/46/12/1381854612.db2.gz XHDNDWDBBUUVKA-DHZHZOJOSA-N 1 0 338.411 3.083 20 5 EGBDRO COc1ccc(Nc2ccc(O[C@@H]3CCC[NH2+]C3)cc2)cc1[N+](=O)[O-] ZINC001159948512 1381946452 /nfs/dbraw/zinc/94/64/52/1381946452.db2.gz HFDWUPIXJBIDBG-MRXNPFEDSA-N 1 0 343.383 3.478 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1Nc1ccccc1N1CCC[C@H]([NH3+])C1 ZINC001159977863 1381957125 /nfs/dbraw/zinc/95/71/25/1381957125.db2.gz GKOOOJFXMIYHIA-ZDUSSCGKSA-N 1 0 342.399 3.275 20 5 EGBDRO [NH3+]C[C@H]1COc2ccccc2N1c1ccc2c(cccc2[N+](=O)[O-])n1 ZINC001160201108 1382031682 /nfs/dbraw/zinc/03/16/82/1382031682.db2.gz UWDYNVBIAMFXBU-LBPRGKRZSA-N 1 0 336.351 3.001 20 5 EGBDRO COc1ncc(Nc2ccc(C[C@H]3CCC[NH2+]C3)cc2)cc1[N+](=O)[O-] ZINC001160264806 1382055554 /nfs/dbraw/zinc/05/55/54/1382055554.db2.gz BJJDVXQXXNBUPD-CQSZACIVSA-N 1 0 342.399 3.284 20 5 EGBDRO [NH3+]Cc1ccc(Nc2ccc(-c3ccc([N+](=O)[O-])cc3)nn2)cc1F ZINC001162528804 1382781432 /nfs/dbraw/zinc/78/14/32/1382781432.db2.gz NQQVTWALDALBKU-UHFFFAOYSA-N 1 0 339.330 3.393 20 5 EGBDRO COc1cc(C)c([N+](=O)[O-])cc1-n1c2ccccc2nc1[C@@H](C)[NH3+] ZINC001162765759 1382865311 /nfs/dbraw/zinc/86/53/11/1382865311.db2.gz JFEUDIDBEYNOPI-LLVKDONJSA-N 1 0 326.356 3.270 20 5 EGBDRO [NH3+][C@H]1Cc2ccccc2N(c2ccc(-c3cccc([N+](=O)[O-])c3)nn2)C1 ZINC001162847066 1382893281 /nfs/dbraw/zinc/89/32/81/1382893281.db2.gz HDHUAADDJRSVDE-HNNXBMFYSA-N 1 0 347.378 3.073 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(N[C@@H]3COCCC34C[NH2+]C4)cc2)cc1 ZINC001163080872 1382961608 /nfs/dbraw/zinc/96/16/08/1382961608.db2.gz VFHKJOGEYUGARU-GOSISDBHSA-N 1 0 339.395 3.052 20 5 EGBDRO CC(C)N(c1ccc(-c2ccccc2[N+](=O)[O-])nn1)C(C)(C)C[NH3+] ZINC001163189370 1382988573 /nfs/dbraw/zinc/98/85/73/1382988573.db2.gz QILJELNPWLYWHW-UHFFFAOYSA-N 1 0 329.404 3.004 20 5 EGBDRO CC(C)(C)c1ccc(NC[C@H]2CO[C@]3(C2)CCC[NH2+]C3)c([N+](=O)[O-])c1 ZINC001163283573 1383012950 /nfs/dbraw/zinc/01/29/50/1383012950.db2.gz HLSHXSSUYYORRJ-LIRRHRJNSA-N 1 0 347.459 3.463 20 5 EGBDRO CC(C)[N@@H+]1CC[C@@H](Nc2ncnc3cc([N+](=O)[O-])ccc32)[C@H](C)C1 ZINC001163362861 1383032410 /nfs/dbraw/zinc/03/24/10/1383032410.db2.gz OMVZFHVQDNQILP-IUODEOHRSA-N 1 0 329.404 3.069 20 5 EGBDRO CC(C)Oc1nc(N[C@H]2CC[N@@H+](C(C)C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC001163368618 1383033298 /nfs/dbraw/zinc/03/32/98/1383033298.db2.gz AADAPORZSCPDHW-KBPBESRZSA-N 1 0 336.436 3.308 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(N2CCN(C)C[C@@H]2c2ccccc2)nc1Cl ZINC001163668946 1383099819 /nfs/dbraw/zinc/09/98/19/1383099819.db2.gz GQSQYJIAFVKRHT-OAHLLOKOSA-N 1 0 346.818 3.445 20 5 EGBDRO Cc1c(C)n(-c2ccc3ncc([N+](=O)[O-])n3c2)c2ccc(C[NH3+])cc12 ZINC001163761895 1383119174 /nfs/dbraw/zinc/11/91/74/1383119174.db2.gz YKIHQQROVOVVET-UHFFFAOYSA-N 1 0 335.367 3.262 20 5 EGBDRO CC(C)(C)C(C)(C)C(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001163977905 1383142735 /nfs/dbraw/zinc/14/27/35/1383142735.db2.gz XMBMJHDJEIFRCG-UHFFFAOYSA-N 1 0 335.448 3.263 20 5 EGBDRO Clc1ccc2ccc3ccc(-n4cnc5c4C[NH2+]CC5)nc3c2n1 ZINC001164313269 1383176762 /nfs/dbraw/zinc/17/67/62/1383176762.db2.gz CYTXSAQXGQRQBF-UHFFFAOYSA-N 1 0 335.798 3.268 20 5 EGBDRO C[C@H]1CC[C@@H](C[NH3+])CN1c1ccc2c(ccc(Cl)c2[N+](=O)[O-])n1 ZINC001164468528 1383189870 /nfs/dbraw/zinc/18/98/70/1383189870.db2.gz RYKNERIXIPAPFR-QWRGUYRKSA-N 1 0 334.807 3.360 20 5 EGBDRO O=[N+]([O-])c1cnc(N2CC[NH2+][C@@H](Cc3ccccc3)C2)c2ccccc21 ZINC001164608951 1383207519 /nfs/dbraw/zinc/20/75/19/1383207519.db2.gz YQMQNTFYRMVQNP-INIZCTEOSA-N 1 0 348.406 3.164 20 5 EGBDRO Cc1ccnc(N2C[C@H]3[C@@H](CC[N@@H+]3Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC001165083521 1383224116 /nfs/dbraw/zinc/22/41/16/1383224116.db2.gz GSMTVBKQKBGAKN-IRXDYDNUSA-N 1 0 338.411 3.009 20 5 EGBDRO O=[N+]([O-])c1cccc2nc(N3C[C@H]4c5ccccc5C[NH2+][C@@H]4C3)ccc21 ZINC001165351608 1383279494 /nfs/dbraw/zinc/27/94/94/1383279494.db2.gz IBXKNZKEUZHYML-FUHWJXTLSA-N 1 0 346.390 3.219 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC3(CC[NH2+]CC3)c3ccccc32)n1 ZINC001167068951 1383532487 /nfs/dbraw/zinc/53/24/87/1383532487.db2.gz FPYMHLVVDDOYKZ-UHFFFAOYSA-N 1 0 338.411 3.380 20 5 EGBDRO C=Cc1ccc(C(=O)NCCC[NH2+]Cc2csc([N+](=O)[O-])c2)cc1 ZINC001167223290 1383570183 /nfs/dbraw/zinc/57/01/83/1383570183.db2.gz USCCBVBQLTUCCK-UHFFFAOYSA-N 1 0 345.424 3.209 20 5 EGBDRO C[C@H]1CCCC[N@@H+]1CCCNc1ncc2cccc([N+](=O)[O-])c2n1 ZINC001167752208 1383730789 /nfs/dbraw/zinc/73/07/89/1383730789.db2.gz RIJFKQNQXCVZNC-ZDUSSCGKSA-N 1 0 329.404 3.214 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(OC(C)C)cc1N(CC[NH3+])c1cccnc1 ZINC001168838363 1384028258 /nfs/dbraw/zinc/02/82/58/1384028258.db2.gz IUQZYTSTAXFJDT-UHFFFAOYSA-N 1 0 330.388 3.182 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(OC(F)(F)F)c(F)c2)C1 ZINC001168974977 1384075765 /nfs/dbraw/zinc/07/57/65/1384075765.db2.gz UDTNUSGGBDNWFZ-GHMZBOCLSA-N 1 0 336.285 3.259 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2ncc(Cl)cc2Br)C1 ZINC001168977481 1384076871 /nfs/dbraw/zinc/07/68/71/1384076871.db2.gz KDDDPIGGCCATSO-WPRPVWTQSA-N 1 0 348.628 3.033 20 5 EGBDRO O=C(C[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccc(Cl)c(Cl)c1 ZINC001168983649 1384079341 /nfs/dbraw/zinc/07/93/41/1384079341.db2.gz KHCRKZJCWQISQT-KOLCDFICSA-N 1 0 331.199 3.211 20 5 EGBDRO C[N@H+](CCc1cccc(C(F)(F)F)n1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169009064 1384086908 /nfs/dbraw/zinc/08/69/08/1384086908.db2.gz UUAIJOZINIXBEU-WCQYABFASA-N 1 0 331.338 3.020 20 5 EGBDRO COc1cccc(C(=O)C2CC[NH+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)c1 ZINC001169012697 1384089024 /nfs/dbraw/zinc/08/90/24/1384089024.db2.gz RSSPQKJJCYKJOJ-PBHICJAKSA-N 1 0 346.427 3.035 20 5 EGBDRO CC[C@H]1CN(Cc2ccccc2)CC[N@@H+]1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169046824 1384100227 /nfs/dbraw/zinc/10/02/27/1384100227.db2.gz NMTNFRXBWHEYGT-QYZOEREBSA-N 1 0 331.460 3.028 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2Cl)C1 ZINC001169051955 1384100921 /nfs/dbraw/zinc/10/09/21/1384100921.db2.gz DRDSUKDVCMPKCU-AJNGGQMLSA-N 1 0 335.835 3.048 20 5 EGBDRO O=C1CC2(CC[NH+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)c2ccccc21 ZINC001169056351 1384101891 /nfs/dbraw/zinc/10/18/91/1384101891.db2.gz SJGXPFIHVOHWOW-HUUCEWRRSA-N 1 0 328.412 3.052 20 5 EGBDRO [NH3+]Cc1cccc2c1cnn2-c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001169191842 1384121241 /nfs/dbraw/zinc/12/12/41/1384121241.db2.gz FZWUACVHFVQCLV-UHFFFAOYSA-N 1 0 336.273 3.411 20 5 EGBDRO COc1ccc(N2CCC[C@@H]([NH3+])c3cc(C)ccc32)nc1[N+](=O)[O-] ZINC001169684394 1384173597 /nfs/dbraw/zinc/17/35/97/1384173597.db2.gz UQGSJWSQMUQODB-CYBMUJFWSA-N 1 0 328.372 3.239 20 5 EGBDRO Cc1ccc2c(ccnc2-n2cc(CC[NH3+])c3ncccc32)c1[N+](=O)[O-] ZINC001169702519 1384175092 /nfs/dbraw/zinc/17/50/92/1384175092.db2.gz FCEKUGREBSMWLJ-UHFFFAOYSA-N 1 0 347.378 3.292 20 5 EGBDRO [NH3+]Cc1ccn(-c2cc([N+](=O)[O-])cc3cc(Br)cnc32)c1 ZINC001169726343 1384178872 /nfs/dbraw/zinc/17/88/72/1384178872.db2.gz SXBMMZBGXOSLMK-UHFFFAOYSA-N 1 0 347.172 3.155 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+]CCC2(O)CCCCC2)c([N+](=O)[O-])c1 ZINC001170297009 1384285392 /nfs/dbraw/zinc/28/53/92/1384285392.db2.gz JPRVAHFVEIISLD-CQSZACIVSA-N 1 0 336.432 3.209 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+][C@H]2CCc3ncccc32)c([N+](=O)[O-])c1 ZINC001170313822 1384288437 /nfs/dbraw/zinc/28/84/37/1384288437.db2.gz RPOJMGKOQAPWNW-SJCJKPOMSA-N 1 0 327.384 3.207 20 5 EGBDRO COc1ccc(F)c(C[NH2+][C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])c1 ZINC001170319635 1384289896 /nfs/dbraw/zinc/28/98/96/1384289896.db2.gz XQPBUSMFPMCSKR-LBPRGKRZSA-N 1 0 348.374 3.472 20 5 EGBDRO CCC1(C[NH2+][C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CCOCC1 ZINC001170327928 1384292100 /nfs/dbraw/zinc/29/21/00/1384292100.db2.gz SNZWLGBVLDGCRU-CQSZACIVSA-N 1 0 336.432 3.331 20 5 EGBDRO CCN(CC[NH+]1CCCCC1)[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170351040 1384298218 /nfs/dbraw/zinc/29/82/18/1384298218.db2.gz DILYKPYATFKMCO-MRXNPFEDSA-N 1 0 349.475 3.342 20 5 EGBDRO Cc1ccc(C)c(C(=O)NCCC[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC001171946617 1384691996 /nfs/dbraw/zinc/69/19/96/1384691996.db2.gz GKBBNFTUZBOPKM-UHFFFAOYSA-N 1 0 341.411 3.121 20 5 EGBDRO COc1cc(C[NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)ccn1 ZINC001172896239 1384873952 /nfs/dbraw/zinc/87/39/52/1384873952.db2.gz NMOFWEYWJNEPRL-INIZCTEOSA-N 1 0 327.384 3.036 20 5 EGBDRO [NH3+][C@H]1Cc2ccccc2N([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172895558 1384874007 /nfs/dbraw/zinc/87/40/07/1384874007.db2.gz FNFYNQAZLRPZET-ROUUACIJSA-N 1 0 337.423 3.232 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@H](CO)c1cccc(F)c1)CC2 ZINC001172900448 1384874261 /nfs/dbraw/zinc/87/42/61/1384874261.db2.gz DVVHHVUKJOTPGS-IEBWSBKVSA-N 1 0 344.386 3.305 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]Cc1ccc(CO)cc1)CC2 ZINC001172899689 1384874330 /nfs/dbraw/zinc/87/43/30/1384874330.db2.gz OUVADDZXSUJEOW-GOSISDBHSA-N 1 0 326.396 3.124 20 5 EGBDRO COC(=O)[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172905326 1384875357 /nfs/dbraw/zinc/87/53/57/1384875357.db2.gz IYTMYLGEZIGNNB-NJAFHUGGSA-N 1 0 346.427 3.164 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@H]1CCCc3nccnc31)CC2 ZINC001172905149 1384875565 /nfs/dbraw/zinc/87/55/65/1384875565.db2.gz QREXYQCQVJOBFR-YJBOKZPZSA-N 1 0 338.411 3.299 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]C1CCC3(CC1)OCCO3)CC2 ZINC001172913240 1384876577 /nfs/dbraw/zinc/87/65/77/1384876577.db2.gz UYVYPANQFUYAQY-INIZCTEOSA-N 1 0 346.427 3.118 20 5 EGBDRO COc1ccc(CC[NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)cn1 ZINC001172913428 1384876594 /nfs/dbraw/zinc/87/65/94/1384876594.db2.gz VSUYLQKSLXEOOA-QGZVFWFLSA-N 1 0 341.411 3.078 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C2Cc3ccccc3C2)c1F ZINC001173174661 1384930780 /nfs/dbraw/zinc/93/07/80/1384930780.db2.gz AFMWWEVVJXCPMJ-GFCCVEGCSA-N 1 0 344.386 3.431 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]Cc2ccncc2C)c1F ZINC001173177373 1384931600 /nfs/dbraw/zinc/93/16/00/1384931600.db2.gz TVDLFQSXCTUBCG-GFCCVEGCSA-N 1 0 333.363 3.167 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]Cc2ccnc(C)c2)c1F ZINC001173175748 1384931766 /nfs/dbraw/zinc/93/17/66/1384931766.db2.gz CQAJYJPGPJHWNT-GFCCVEGCSA-N 1 0 333.363 3.167 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2CCC[C@H](F)CC2)c1F ZINC001173178287 1384931838 /nfs/dbraw/zinc/93/18/38/1384931838.db2.gz AEDMUMSEFHKARF-NEPJUHHUSA-N 1 0 328.359 3.498 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@H]2CCc3ncccc32)c1F ZINC001173184609 1384932619 /nfs/dbraw/zinc/93/26/19/1384932619.db2.gz RWWHLNLKDFEQDJ-ABAIWWIYSA-N 1 0 345.374 3.346 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CCc2ccccc2O)c1F ZINC001173190695 1384933105 /nfs/dbraw/zinc/93/31/05/1384933105.db2.gz GYUMREWJCRUWHS-GFCCVEGCSA-N 1 0 348.374 3.211 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1[C@@H]2C[C@@H]3C[C@H]1C[C@](O)(C2)C3 ZINC001173210695 1384936681 /nfs/dbraw/zinc/93/66/81/1384936681.db2.gz MMMVMGOWAWYSRF-XNKFDOAOSA-N 1 0 330.428 3.055 20 5 EGBDRO COc1cccc(OCC[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001173213243 1384937156 /nfs/dbraw/zinc/93/71/56/1384937156.db2.gz HDMGTWBHSMDQFF-AWEZNQCLSA-N 1 0 330.384 3.203 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](CO)c1cc(F)cc(F)c1 ZINC001173218211 1384937690 /nfs/dbraw/zinc/93/76/90/1384937690.db2.gz CAQHLUNVGJINPL-GTNSWQLSSA-N 1 0 336.338 3.127 20 5 EGBDRO CC(C)[C@H]([NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)NC(C)(C)C ZINC001173224484 1384939230 /nfs/dbraw/zinc/93/92/30/1384939230.db2.gz NKKDSJVNPRASSZ-CJNGLKHVSA-N 1 0 335.448 3.055 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C/C=C/CNC(=O)OC(C)(C)C ZINC001173222601 1384939233 /nfs/dbraw/zinc/93/92/33/1384939233.db2.gz XHUAWBJIZZZDAJ-VBROQKIQSA-N 1 0 349.431 3.196 20 5 EGBDRO Cc1cccc(N2CC[NH+]([C@@H](C)Cc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC001173223910 1384939325 /nfs/dbraw/zinc/93/93/25/1384939325.db2.gz BMBAGQGWEUQZHI-INIZCTEOSA-N 1 0 340.427 3.051 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[NH+](C2CCCCC2)CC1 ZINC001173229966 1384940494 /nfs/dbraw/zinc/94/04/94/1384940494.db2.gz WQRPVYXEIPARIK-INIZCTEOSA-N 1 0 331.460 3.476 20 5 EGBDRO CCOC(=O)[C@@]1(C)CCC[N@@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173231468 1384940735 /nfs/dbraw/zinc/94/07/35/1384940735.db2.gz LJHSOELWJAIIPI-KDOFPFPSSA-N 1 0 334.416 3.191 20 5 EGBDRO COc1ccc2c(c1)c(C[NH3+])nn2[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173229192 1384941007 /nfs/dbraw/zinc/94/10/07/1384941007.db2.gz LVWNTGJACHLNIP-GFCCVEGCSA-N 1 0 340.383 3.216 20 5 EGBDRO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2-c1cncnc1 ZINC001174387349 1385104010 /nfs/dbraw/zinc/10/40/10/1385104010.db2.gz VMORLBQWPUNEGK-UHFFFAOYSA-N 1 0 331.379 3.034 20 5 EGBDRO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2-c1cc(C)nn1C ZINC001174831696 1385156008 /nfs/dbraw/zinc/15/60/08/1385156008.db2.gz WDWTVNQQGIIUEZ-UHFFFAOYSA-N 1 0 347.422 3.286 20 5 EGBDRO CC(C)c1occc1C(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001177228223 1385876459 /nfs/dbraw/zinc/87/64/59/1385876459.db2.gz CVCZOMJYVKCICV-UHFFFAOYSA-N 1 0 345.399 3.221 20 5 EGBDRO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC001319159778 1385986890 /nfs/dbraw/zinc/98/68/90/1385986890.db2.gz JSBPCIIBPAWYEV-HOTGVXAUSA-N 1 0 348.447 3.002 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)ccc1-c1nc([C@H]2C[NH+]3CCC2CC3)no1 ZINC001320496330 1386628067 /nfs/dbraw/zinc/62/80/67/1386628067.db2.gz AGMDAQNQVQVMTO-LBPRGKRZSA-N 1 0 334.763 3.107 20 5 EGBDRO Cc1cncc([N+](=O)[O-])c1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC001320575345 1386655960 /nfs/dbraw/zinc/65/59/60/1386655960.db2.gz AOUYESDLRIUACC-UHFFFAOYSA-N 1 0 344.390 3.150 20 5 EGBDRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2cc3nc4ccccc4nc3cc2N)C1 ZINC001181976403 1387085663 /nfs/dbraw/zinc/08/56/63/1387085663.db2.gz HTDWPQPPCWDKJJ-CYBMUJFWSA-N 1 0 349.438 3.034 20 5 EGBDRO COc1ccc(CCC[NH2+]Cc2ccc(O)c(OC)c2[N+](=O)[O-])cc1 ZINC001336707916 1389141885 /nfs/dbraw/zinc/14/18/85/1389141885.db2.gz WMYJIZVKBYDNEW-UHFFFAOYSA-N 1 0 346.383 3.040 20 5 EGBDRO C[C@@H]1C[C@H](C)N(c2ncnc3c(Cl)cc([N+](=O)[O-])cc32)C[C@H]1C[NH3+] ZINC001329674206 1389200518 /nfs/dbraw/zinc/20/05/18/1389200518.db2.gz XJYXKEQDSVNPLY-OUAUKWLOSA-N 1 0 349.822 3.001 20 5 EGBDRO CSC[C@@H](CCO)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC001332229963 1390058129 /nfs/dbraw/zinc/05/81/29/1390058129.db2.gz BIWCKKOOLXYKEH-GHMZBOCLSA-N 1 0 330.475 3.081 20 5 EGBDRO COc1cc([N+](=O)[O-])cnc1N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001339660429 1390100709 /nfs/dbraw/zinc/10/07/09/1390100709.db2.gz MVNMOQDVQMIMID-QWHCGFSZSA-N 1 0 334.420 3.063 20 5 EGBDRO CC(C)n1cc2c(n1)[C@@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CCC2 ZINC001345636736 1390870992 /nfs/dbraw/zinc/87/09/92/1390870992.db2.gz PEBVESJNTWQXBD-DLBZAZTESA-N 1 0 344.415 3.073 20 5 EGBDRO Cc1ccc(C[N@@H+]2CCCN(Cc3cccnc3[N+](=O)[O-])CC2)cc1 ZINC001350084885 1391408560 /nfs/dbraw/zinc/40/85/60/1391408560.db2.gz HQLPLRWNMLXDKF-UHFFFAOYSA-N 1 0 340.427 3.006 20 5 EGBDRO C[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)[C@@H]1CCC[NH3+] ZINC001354298354 1392136829 /nfs/dbraw/zinc/13/68/29/1392136829.db2.gz RIRSGLJBNZNOTB-XFKAJCMBSA-N 1 0 345.443 3.064 20 5 EGBDRO CC(C)N(CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccco1 ZINC001755809865 1440919472 /nfs/dbraw/zinc/91/94/72/1440919472.db2.gz OTAXUWWVYQMKMO-UHFFFAOYSA-N 1 0 345.399 3.170 20 5 EGBDRO C[NH+](C)[C@H]1CCCN(c2nc3ccccc3c(Cl)c2[N+](=O)[O-])C1 ZINC001165037325 721890213 /nfs/dbraw/zinc/89/02/13/721890213.db2.gz BHPUVQOHEKNWQB-NSHDSACASA-N 1 0 334.807 3.327 20 5 EGBDRO CC[NH+](CC)C1CCN(c2nc(Cl)nc(Cl)c2[N+](=O)[O-])CC1 ZINC001165052649 722001661 /nfs/dbraw/zinc/00/16/61/722001661.db2.gz BCXXJFWDTWVJAI-UHFFFAOYSA-N 1 0 348.234 3.002 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](CO)Cc2ccc(F)cc2)cc1Cl ZINC000783648587 1126109647 /nfs/dbraw/zinc/10/96/47/1126109647.db2.gz NLICWPPQNVRYRI-AWEZNQCLSA-N 1 0 338.766 3.081 20 5 EGBDRO Cc1ccc(C[C@@H](CO)[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000786163162 1126109905 /nfs/dbraw/zinc/10/99/05/1126109905.db2.gz IYMPJICDWDTEDP-INIZCTEOSA-N 1 0 334.803 3.250 20 5 EGBDRO CC[C@@H](NC1CC[NH+](CCCOC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000159176514 529681758 /nfs/dbraw/zinc/68/17/58/529681758.db2.gz GVXBASIMZWUNQV-GOSISDBHSA-N 1 0 335.448 3.136 20 5 EGBDRO CC[C@H]1C[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CCS1 ZINC000072861749 216321339 /nfs/dbraw/zinc/32/13/39/216321339.db2.gz VYIJDIJLEUQRNG-ZDUSSCGKSA-N 1 0 337.445 3.059 20 5 EGBDRO C[C@H]([NH2+][C@@H](CC(=O)N(C)C)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000360580496 299347615 /nfs/dbraw/zinc/34/76/15/299347615.db2.gz MOFGCWMKIZSBCL-KSSFIOAISA-N 1 0 341.411 3.465 20 5 EGBDRO CC(C)(C)[NH+]1CCC(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000194290983 240513020 /nfs/dbraw/zinc/51/30/20/240513020.db2.gz LSMASKDPMWPRIF-UHFFFAOYSA-N 1 0 339.823 3.241 20 5 EGBDRO CC[NH+](CC)CCC[C@H](C)NC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000075475954 216621621 /nfs/dbraw/zinc/62/16/21/216621621.db2.gz QTKXAAORKBJKDD-LHNRBYRGSA-N 1 0 333.432 3.235 20 5 EGBDRO Cc1ccc(C(=O)N[C@@H](CCC[NH3+])c2ccccc2)cc1[N+](=O)[O-] ZINC000326850044 241600301 /nfs/dbraw/zinc/60/03/01/241600301.db2.gz NSFNPWPQTJYXOW-INIZCTEOSA-N 1 0 327.384 3.113 20 5 EGBDRO Cc1c(NC(=O)CC[N@H+]2CCS[C@@H](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000246433514 243252320 /nfs/dbraw/zinc/25/23/20/243252320.db2.gz TYOXFVRRUHTFIW-OLZOCXBDSA-N 1 0 337.445 3.058 20 5 EGBDRO Cc1ccc([C@@H]([NH3+])C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000262692951 245124419 /nfs/dbraw/zinc/12/44/19/245124419.db2.gz ZZZHKLQWAUHXMG-GOSISDBHSA-N 1 0 341.411 3.042 20 5 EGBDRO CC(C)c1ccc(C[NH2+][C@@H](C)C(=O)NCc2ccco2)cc1[N+](=O)[O-] ZINC000111399196 220149537 /nfs/dbraw/zinc/14/95/37/220149537.db2.gz NGQLNZPKMLNQNI-ZDUSSCGKSA-N 1 0 345.399 3.106 20 5 EGBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000408258393 169168031 /nfs/dbraw/zinc/16/80/31/169168031.db2.gz WFRIWURHICBTII-VNHYZAJKSA-N 1 0 349.406 3.211 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000091744817 218057525 /nfs/dbraw/zinc/05/75/25/218057525.db2.gz VNDYZPXXMSPEPE-AWEZNQCLSA-N 1 0 335.448 3.226 20 5 EGBDRO Cc1cccc(C(=O)NCCC[N@@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000009981201 211138185 /nfs/dbraw/zinc/13/81/85/211138185.db2.gz DSMAXIDLTWLVAJ-UHFFFAOYSA-N 1 0 341.411 3.155 20 5 EGBDRO COc1cc(C[N@H+](C)[C@@H](C)CCSC)c([N+](=O)[O-])cc1OC ZINC000093558757 218231898 /nfs/dbraw/zinc/23/18/98/218231898.db2.gz BAOXWSRDTIWCMC-NSHDSACASA-N 1 0 328.434 3.185 20 5 EGBDRO COCCOc1ccccc1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000267460890 251077348 /nfs/dbraw/zinc/07/73/48/251077348.db2.gz VBWLIRCKNCHDLH-AWEZNQCLSA-N 1 0 330.384 3.471 20 5 EGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(N2CCCCC2=O)CC1 ZINC000268653095 252105188 /nfs/dbraw/zinc/10/51/88/252105188.db2.gz KCHJFRQUDPXAQA-CQSZACIVSA-N 1 0 331.416 3.133 20 5 EGBDRO C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2F)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000112366810 220315135 /nfs/dbraw/zinc/31/51/35/220315135.db2.gz WMZDFLMEWFYGNI-MLGOLLRUSA-N 1 0 343.358 3.190 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](C)c1ccccc1 ZINC000181347763 533137723 /nfs/dbraw/zinc/13/77/23/533137723.db2.gz MDHKNQDRIJDTCA-CYBMUJFWSA-N 1 0 343.383 3.283 20 5 EGBDRO CC1(C)CCC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000117341556 221054764 /nfs/dbraw/zinc/05/47/64/221054764.db2.gz ODWYAAAPOUWAPB-UHFFFAOYSA-N 1 0 333.388 3.015 20 5 EGBDRO Cc1c([C@@H](C)[NH2+]CC(=O)N(C)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000119100489 221244285 /nfs/dbraw/zinc/24/42/85/221244285.db2.gz PLEAHJBWHUTSII-OAHLLOKOSA-N 1 0 341.411 3.212 20 5 EGBDRO COc1ccc([C@@H](C[NH+](C)C)NCc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000341215484 141139773 /nfs/dbraw/zinc/13/97/73/141139773.db2.gz SVVDMNGCSMBVMC-GOSISDBHSA-N 1 0 347.390 3.135 20 5 EGBDRO COc1cccc([C@@H](C)[NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000341219383 141140368 /nfs/dbraw/zinc/14/03/68/141140368.db2.gz LFHFLGXQFHLILG-CYBMUJFWSA-N 1 0 343.383 3.283 20 5 EGBDRO O=C1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CN1c1ccccc1Cl ZINC000342976871 141154953 /nfs/dbraw/zinc/15/49/53/141154953.db2.gz FQIAAGXXEHTNFJ-CYBMUJFWSA-N 1 0 345.786 3.143 20 5 EGBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H](Cc1ccccc1)c1cccs1 ZINC000347921629 141217544 /nfs/dbraw/zinc/21/75/44/141217544.db2.gz QYOUTCZYYZSCOT-AWEZNQCLSA-N 1 0 342.424 3.463 20 5 EGBDRO CC(C)(CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)C[NH+]1CCCC1 ZINC000357969526 141370401 /nfs/dbraw/zinc/37/04/01/141370401.db2.gz ZKOKAJBAWVGBME-UHFFFAOYSA-N 1 0 346.431 3.013 20 5 EGBDRO C[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000357977099 141372368 /nfs/dbraw/zinc/37/23/68/141372368.db2.gz AHKFZYNMWGXGBX-QWHCGFSZSA-N 1 0 349.406 3.117 20 5 EGBDRO C[C@H]([NH2+]CCCNC(=O)c1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000173405962 144041232 /nfs/dbraw/zinc/04/12/32/144041232.db2.gz NSPSWURDBDTZHP-ZDUSSCGKSA-N 1 0 345.374 3.205 20 5 EGBDRO CCS[C@@H]1CC[C@@H]([N@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000173869984 144050025 /nfs/dbraw/zinc/05/00/25/144050025.db2.gz DFWLNVCGPPEYQZ-CHWSQXEVSA-N 1 0 337.445 3.139 20 5 EGBDRO CCC1(CC)[C@H]([NH2+][C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1OC ZINC000178365611 144069865 /nfs/dbraw/zinc/06/98/65/144069865.db2.gz FQEPVUSABIZGML-MAZHCROVSA-N 1 0 349.431 3.105 20 5 EGBDRO Cc1cc(C(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000187199542 144154433 /nfs/dbraw/zinc/15/44/33/144154433.db2.gz FBIWZJDBRVVLOD-KBXCAEBGSA-N 1 0 341.411 3.324 20 5 EGBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H](c1ccc(F)cc1)C1CCCC1 ZINC000341451229 155299394 /nfs/dbraw/zinc/29/93/94/155299394.db2.gz GQCDSZGEXDGDHQ-INIZCTEOSA-N 1 0 332.379 3.489 20 5 EGBDRO C[NH+](C)CC1(NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCC1 ZINC000341464037 155306549 /nfs/dbraw/zinc/30/65/49/155306549.db2.gz BCJOZPYOVDTEEQ-UHFFFAOYSA-N 1 0 329.400 3.429 20 5 EGBDRO C[C@@H](CNc1ncnc2sc([N+](=O)[O-])cc21)[N@@H+]1CCCC[C@@H]1C ZINC000341528190 155337045 /nfs/dbraw/zinc/33/70/45/155337045.db2.gz FHOWBOOEGVPMCH-QWRGUYRKSA-N 1 0 335.433 3.274 20 5 EGBDRO CC[N@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C1CCCC1 ZINC000117335665 152094282 /nfs/dbraw/zinc/09/42/82/152094282.db2.gz QYOHHEUNSZXONY-UHFFFAOYSA-N 1 0 333.388 3.157 20 5 EGBDRO Cc1cc(C(=O)N[C@@H](CCC[NH3+])c2ccccc2)ccc1[N+](=O)[O-] ZINC000326565309 154184233 /nfs/dbraw/zinc/18/42/33/154184233.db2.gz DYCDDNJYZZJKDM-INIZCTEOSA-N 1 0 327.384 3.113 20 5 EGBDRO CC[C@@H]([NH2+]C[C@H](CC(C)C)N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000336885289 154230307 /nfs/dbraw/zinc/23/03/07/154230307.db2.gz DCQLFEFPMJLQFX-RBUKOAKNSA-N 1 0 349.475 3.382 20 5 EGBDRO COc1cc(C[NH2+]CC2CCC(F)(F)CC2)c([N+](=O)[O-])cc1O ZINC000337297094 154267231 /nfs/dbraw/zinc/26/72/31/154267231.db2.gz OOWQZKFMUIGJEZ-UHFFFAOYSA-N 1 0 330.331 3.224 20 5 EGBDRO COCC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CC[C@H](C)C1 ZINC000337483676 154375888 /nfs/dbraw/zinc/37/58/88/154375888.db2.gz XGOBLEZVGFIJNT-LSDHHAIUSA-N 1 0 349.431 3.060 20 5 EGBDRO COCC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](C)C1 ZINC000337483674 154376026 /nfs/dbraw/zinc/37/60/26/154376026.db2.gz XGOBLEZVGFIJNT-GJZGRUSLSA-N 1 0 349.431 3.060 20 5 EGBDRO O=C(CC[N@H+](CC1CC1)CC1CCC1)Nc1ccccc1[N+](=O)[O-] ZINC000337486300 154377583 /nfs/dbraw/zinc/37/75/83/154377583.db2.gz YZFPBZKLYPQZLU-UHFFFAOYSA-N 1 0 331.416 3.436 20 5 EGBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[NH2+][C@H]2CCO[C@@H]2C2CC2)c1 ZINC000339125421 154709278 /nfs/dbraw/zinc/70/92/78/154709278.db2.gz VNDFKAJMWBRGFM-UONOGXRCSA-N 1 0 330.306 3.271 20 5 EGBDRO CCCN(CC[NH+]1CCCCCC1)C(=O)c1csc([N+](=O)[O-])c1 ZINC000345349988 156064185 /nfs/dbraw/zinc/06/41/85/156064185.db2.gz USVLYEWEQMZGNX-UHFFFAOYSA-N 1 0 339.461 3.385 20 5 EGBDRO COc1cccc(NCc2ccc(C[NH+](C)C)c(F)c2)c1[N+](=O)[O-] ZINC000345349736 156064488 /nfs/dbraw/zinc/06/44/88/156064488.db2.gz QFGWVDLSRXTNLL-UHFFFAOYSA-N 1 0 333.363 3.416 20 5 EGBDRO CC(C)(C)c1ncc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])s1 ZINC000348918089 156287575 /nfs/dbraw/zinc/28/75/75/156287575.db2.gz BKRLUFMVAALVQM-UHFFFAOYSA-N 1 0 334.445 3.314 20 5 EGBDRO O=C(CC[N@@H+]1CC[C@@H](c2ccco2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000372601892 157366729 /nfs/dbraw/zinc/36/67/29/157366729.db2.gz UOAPQWMMUOQFAS-GFCCVEGCSA-N 1 0 347.346 3.145 20 5 EGBDRO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)o1 ZINC000093534467 162015037 /nfs/dbraw/zinc/01/50/37/162015037.db2.gz FFQLMUCBRQIKBC-WWGRRREGSA-N 1 0 342.399 3.393 20 5 EGBDRO O=[N+]([O-])c1cccc(C[N@@H+](CCO)[C@@H]2CCCc3ccccc32)c1 ZINC000114468824 162233754 /nfs/dbraw/zinc/23/37/54/162233754.db2.gz RVHQQQBADAUNEJ-LJQANCHMSA-N 1 0 326.396 3.467 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3ccc4ncccc4c3)C2)nc1 ZINC000128904763 162340575 /nfs/dbraw/zinc/34/05/75/162340575.db2.gz FPZUFTRUKHEEQL-MRXNPFEDSA-N 1 0 349.394 3.224 20 5 EGBDRO C[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338349710 163219216 /nfs/dbraw/zinc/21/92/16/163219216.db2.gz GGZMLAMBSHCLRE-HRCADAONSA-N 1 0 347.459 3.247 20 5 EGBDRO C[C@@H]([NH2+]CC1(N2CCCCC2)CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000089595155 287018720 /nfs/dbraw/zinc/01/87/20/287018720.db2.gz FJXQTHQXNOKTHA-MRXNPFEDSA-N 1 0 347.459 3.281 20 5 EGBDRO C[C@@H]([NH2+][C@H](CC(=O)N(C)C)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000343909664 164064279 /nfs/dbraw/zinc/06/42/79/164064279.db2.gz AEOQYKAHHXRADN-RDTXWAMCSA-N 1 0 341.411 3.465 20 5 EGBDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@H](C)c3cccc([N+](=O)[O-])c3C)[C@H]2C1 ZINC000343925763 164068368 /nfs/dbraw/zinc/06/83/68/164068368.db2.gz IJOSVELCTWNGLR-KCMWZYNZSA-N 1 0 345.443 3.201 20 5 EGBDRO CCO[C@H]1C[C@H]([NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])C1(CC)CC ZINC000344109514 164104747 /nfs/dbraw/zinc/10/47/47/164104747.db2.gz SKPYEWDTAAKLNO-HOTGVXAUSA-N 1 0 349.431 3.107 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCOC3(CCOCC3)C2)c(Cl)c1 ZINC000344298470 164149911 /nfs/dbraw/zinc/14/99/11/164149911.db2.gz DUVGWCQWAMVPBU-ZDUSSCGKSA-N 1 0 340.807 3.066 20 5 EGBDRO CN(c1ccccc1)c1ccc(C[NH2+]CC2(O)CCC2)cc1[N+](=O)[O-] ZINC000344372777 164166288 /nfs/dbraw/zinc/16/62/88/164166288.db2.gz GKDXBSUISBERMM-UHFFFAOYSA-N 1 0 341.411 3.367 20 5 EGBDRO CC(C)[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1)[NH+]1CCC(C)CC1 ZINC000345819404 164271299 /nfs/dbraw/zinc/27/12/99/164271299.db2.gz PUYIGMKXIUCYBI-KRWDZBQOSA-N 1 0 333.432 3.081 20 5 EGBDRO C[C@@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[NH+]1CCC(C)CC1 ZINC000346181925 164358332 /nfs/dbraw/zinc/35/83/32/164358332.db2.gz VSLNPRZINNKIEU-LBPRGKRZSA-N 1 0 339.823 3.098 20 5 EGBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@]2(CO)Cc2ccccc2)c(F)c1 ZINC000355335206 166168076 /nfs/dbraw/zinc/16/80/76/166168076.db2.gz ASOPLXPBMZQSQK-IBGZPJMESA-N 1 0 344.386 3.304 20 5 EGBDRO Cc1c(NC(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000358984372 167027084 /nfs/dbraw/zinc/02/70/84/167027084.db2.gz TWPLLDHTDAOPTH-OLZOCXBDSA-N 1 0 334.420 3.145 20 5 EGBDRO CCC[C@H]([NH2+][C@@H](CCO)C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000359413767 167149395 /nfs/dbraw/zinc/14/93/95/167149395.db2.gz HOCOPDOIJYCKJQ-ROUUACIJSA-N 1 0 336.432 3.203 20 5 EGBDRO CCC(CC)[C@H](CNc1c([N+](=O)[O-])c(C)nn1CC)[NH+]1CCCC1 ZINC000359451451 167159861 /nfs/dbraw/zinc/15/98/61/167159861.db2.gz ZESMFVLTUXDKGK-HNNXBMFYSA-N 1 0 337.468 3.432 20 5 EGBDRO CC[C@H](C)[NH2+][C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000359548955 167188741 /nfs/dbraw/zinc/18/87/41/167188741.db2.gz VIBSCYKSLYXKFN-SWLSCSKDSA-N 1 0 331.372 3.047 20 5 EGBDRO CC[C@H](C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)[NH+](CC)CC ZINC000359664811 167205256 /nfs/dbraw/zinc/20/52/56/167205256.db2.gz DCYWFIVWPLTBTL-MRXNPFEDSA-N 1 0 333.432 3.206 20 5 EGBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2ccc(-c3cccc(F)c3F)o2)c1 ZINC000359685727 167208974 /nfs/dbraw/zinc/20/89/74/167208974.db2.gz KXFBTJPUFCEWMS-UHFFFAOYSA-N 1 0 348.309 3.119 20 5 EGBDRO CCC[C@H]([NH2+]C[C@@H](C(C)C)N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000359686974 167209363 /nfs/dbraw/zinc/20/93/63/167209363.db2.gz PDUQYWGUVZJVER-OALUTQOASA-N 1 0 349.475 3.382 20 5 EGBDRO CCCN(CC[NH+](CC)CC)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000359855937 167251022 /nfs/dbraw/zinc/25/10/22/167251022.db2.gz YSFVUWAHJOKVES-UHFFFAOYSA-N 1 0 346.431 3.270 20 5 EGBDRO O=C1CC[C@H](NCc2ccccc2[N+](=O)[O-])c2cc(F)ccc2N1 ZINC000360578566 167362658 /nfs/dbraw/zinc/36/26/58/167362658.db2.gz FNNLLAORLZZBRG-AWEZNQCLSA-N 1 0 329.331 3.297 20 5 EGBDRO CCc1cnccc1[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000361134302 167532567 /nfs/dbraw/zinc/53/25/67/167532567.db2.gz DLTXVAMQVVMZHO-OLZOCXBDSA-N 1 0 342.399 3.230 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000177523439 265261293 /nfs/dbraw/zinc/26/12/93/265261293.db2.gz UOHQMMAMOFPNRY-OKILXGFUSA-N 1 0 347.415 3.054 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@@H](c3ccccc3F)C2)c1 ZINC000269659419 266336523 /nfs/dbraw/zinc/33/65/23/266336523.db2.gz PQMXBTMMTSPYDB-RDTXWAMCSA-N 1 0 330.359 3.257 20 5 EGBDRO C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000269741431 266352232 /nfs/dbraw/zinc/35/22/32/266352232.db2.gz XCYBKFXIDGCKPK-DYVFJYSZSA-N 1 0 331.416 3.179 20 5 EGBDRO COc1cc(N2CCC[C@H]([NH+]3CCCC3)CC2)c(F)cc1[N+](=O)[O-] ZINC000271055586 266596599 /nfs/dbraw/zinc/59/65/99/266596599.db2.gz AHLLDZYGYIIDBT-ZDUSSCGKSA-N 1 0 337.395 3.197 20 5 EGBDRO Cc1c([C@@H](C)[NH2+]CCc2cn3c(n2)SCC3)cccc1[N+](=O)[O-] ZINC000274420759 267234310 /nfs/dbraw/zinc/23/43/10/267234310.db2.gz TZFPVZNEHBBRGX-GFCCVEGCSA-N 1 0 332.429 3.099 20 5 EGBDRO C[C@H](NC(=O)c1ccc(F)cc1[N+](=O)[O-])[C@H](c1ccccc1)[NH+](C)C ZINC000274570789 267255591 /nfs/dbraw/zinc/25/55/91/267255591.db2.gz ATEXCLLASSSJSA-YVEFUNNKSA-N 1 0 345.374 3.155 20 5 EGBDRO Cc1cc(NC(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000274813399 267291868 /nfs/dbraw/zinc/29/18/68/267291868.db2.gz NFUCMYQLMDGFQT-ZDUSSCGKSA-N 1 0 334.420 3.097 20 5 EGBDRO CO[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000275209730 267330631 /nfs/dbraw/zinc/33/06/31/267330631.db2.gz JMQCTPXTBGKAPF-TUKIKUTGSA-N 1 0 346.387 3.253 20 5 EGBDRO Cc1cccc(NC2CC[NH+](Cc3ccccn3)CC2)c1[N+](=O)[O-] ZINC000275403062 267355905 /nfs/dbraw/zinc/35/59/05/267355905.db2.gz FDUDZJHWVKDEQH-UHFFFAOYSA-N 1 0 326.400 3.375 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000275528054 267375259 /nfs/dbraw/zinc/37/52/59/267375259.db2.gz MBMFVLYAYVRDTQ-ZDUSSCGKSA-N 1 0 334.420 3.097 20 5 EGBDRO C[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CCN1C(=O)OC(C)(C)C ZINC000278534932 268033148 /nfs/dbraw/zinc/03/31/48/268033148.db2.gz VVAKFECKLNUCJQ-ZFWWWQNUSA-N 1 0 349.431 3.472 20 5 EGBDRO CC(C)(C)[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000104073923 275163881 /nfs/dbraw/zinc/16/38/81/275163881.db2.gz FMCAAYWDDSNNJR-LSDHHAIUSA-N 1 0 333.432 3.388 20 5 EGBDRO CC[C@H](C)[C@H](C)[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C1CC1 ZINC000106439639 275168642 /nfs/dbraw/zinc/16/86/42/275168642.db2.gz XWDGGERPWHHFAX-STQMWFEESA-N 1 0 349.431 3.441 20 5 EGBDRO CCOc1ccc([C@H](C)[NH2+]CC2([C@@H](O)C(C)C)CC2)cc1[N+](=O)[O-] ZINC000271919224 275241482 /nfs/dbraw/zinc/24/14/82/275241482.db2.gz ZPMDWKONPVVXTQ-GUYCJALGSA-N 1 0 336.432 3.441 20 5 EGBDRO CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000278820922 275277888 /nfs/dbraw/zinc/27/78/88/275277888.db2.gz SMSRFCKITPQRKW-VKJFTORMSA-N 1 0 345.443 3.209 20 5 EGBDRO CC(=O)N1CCC(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000279132217 275306653 /nfs/dbraw/zinc/30/66/53/275306653.db2.gz RDGWANXDPSUMBC-SFHVURJKSA-N 1 0 345.443 3.165 20 5 EGBDRO COc1ccc(C[NH2+][C@H](c2cncc(F)c2)C2CC2)cc1[N+](=O)[O-] ZINC000281251910 275533877 /nfs/dbraw/zinc/53/38/77/275533877.db2.gz NYVYMZDEHAVWSR-KRWDZBQOSA-N 1 0 331.347 3.378 20 5 EGBDRO CC(=O)N1CCC[C@H](C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000281283554 275536450 /nfs/dbraw/zinc/53/64/50/275536450.db2.gz XRABHNKKDLBAEU-KDOFPFPSSA-N 1 0 345.443 3.165 20 5 EGBDRO CC(C)C[C@](C)(C[NH3+])NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000179228387 275603085 /nfs/dbraw/zinc/60/30/85/275603085.db2.gz CALOKZDZLBUYBJ-MRXNPFEDSA-N 1 0 335.429 3.303 20 5 EGBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000283987738 275766037 /nfs/dbraw/zinc/76/60/37/275766037.db2.gz MQRXNOFQJNGOOV-LLVKDONJSA-N 1 0 340.811 3.196 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@H]1CCO[C@@H]1c1cccnc1 ZINC000284395723 275797512 /nfs/dbraw/zinc/79/75/12/275797512.db2.gz AMWBGFZZBJIYQS-VFQYTZJCSA-N 1 0 325.368 3.123 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC2(CCOCC2)CC1 ZINC000284960079 275838359 /nfs/dbraw/zinc/83/83/59/275838359.db2.gz ZSLJADDOKDMFBU-UHFFFAOYSA-N 1 0 334.416 3.386 20 5 EGBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000286580816 276019214 /nfs/dbraw/zinc/01/92/14/276019214.db2.gz YILRWVFRWARFRV-YPMHNXCESA-N 1 0 341.358 3.259 20 5 EGBDRO C[NH+](C)[C@H](CNc1ncnc2sc([N+](=O)[O-])cc21)c1cccs1 ZINC000286727616 276037410 /nfs/dbraw/zinc/03/74/10/276037410.db2.gz DKZOFURTEYSYNB-SNVBAGLBSA-N 1 0 349.441 3.376 20 5 EGBDRO COc1ccncc1COC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000286940335 276060549 /nfs/dbraw/zinc/06/05/49/276060549.db2.gz JXHPQVNESLFPKD-UHFFFAOYSA-N 1 0 348.330 3.159 20 5 EGBDRO O=[N+]([O-])c1ccc(Cl)cc1NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000287183647 276093796 /nfs/dbraw/zinc/09/37/96/276093796.db2.gz GUWUHPUBUPJDON-GFCCVEGCSA-N 1 0 339.823 3.161 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000287774604 276155898 /nfs/dbraw/zinc/15/58/98/276155898.db2.gz YJAQGJRZEYISKE-ZBFHGGJFSA-N 1 0 346.431 3.302 20 5 EGBDRO O=C(CC[N@@H+]1CCCc2occc2C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000288817437 276256190 /nfs/dbraw/zinc/25/61/90/276256190.db2.gz MXHPPOJIXPRUNT-UHFFFAOYSA-N 1 0 347.346 3.104 20 5 EGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCCN3c4ccccc4C[C@H]3C2)cc1F ZINC000289511817 276350608 /nfs/dbraw/zinc/35/06/08/276350608.db2.gz RBNXCEIRVWDZEB-INIZCTEOSA-N 1 0 341.386 3.371 20 5 EGBDRO CCN(CCC[NH+](C)C)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000289807009 276398244 /nfs/dbraw/zinc/39/82/44/276398244.db2.gz VJZCLOQTXUXZGU-UHFFFAOYSA-N 1 0 328.800 3.054 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2COc3ccccc3[C@H]2O)cc1[N+](=O)[O-] ZINC000290211335 276464378 /nfs/dbraw/zinc/46/43/78/276464378.db2.gz HHEGBGGCVXQLEG-WBHUJUFNSA-N 1 0 328.368 3.048 20 5 EGBDRO CC(C)([NH2+]C[C@H](O)c1c(F)cccc1F)c1ccccc1[N+](=O)[O-] ZINC000292241870 276755280 /nfs/dbraw/zinc/75/52/80/276755280.db2.gz WWLGRKFJJOHUHX-HNNXBMFYSA-N 1 0 336.338 3.431 20 5 EGBDRO C[NH2+]CCC1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000261627343 277266177 /nfs/dbraw/zinc/26/61/77/277266177.db2.gz BPHNOWYLPQIJOR-UHFFFAOYSA-N 1 0 331.338 3.440 20 5 EGBDRO CC(C)c1ccc(C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000363878712 278023536 /nfs/dbraw/zinc/02/35/36/278023536.db2.gz ARLZQCIAVVECDO-MRXNPFEDSA-N 1 0 345.443 3.419 20 5 EGBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000266327710 279134552 /nfs/dbraw/zinc/13/45/52/279134552.db2.gz VVWSHTUIFQDWNH-OAHLLOKOSA-N 1 0 347.459 3.063 20 5 EGBDRO Cc1ccnc(N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)c1[N+](=O)[O-] ZINC000265188656 302270424 /nfs/dbraw/zinc/27/04/24/302270424.db2.gz KKQLTNYQXXXHQN-HOTGVXAUSA-N 1 0 332.448 3.389 20 5 EGBDRO CC(C)(C)CC(C)(C)[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000053123715 307334746 /nfs/dbraw/zinc/33/47/46/307334746.db2.gz FFUNNHQEIHXUIA-UHFFFAOYSA-N 1 0 333.432 3.288 20 5 EGBDRO C[C@H]([NH2+]C[C@H](Cc1ccccc1)N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000132967525 307665316 /nfs/dbraw/zinc/66/53/16/307665316.db2.gz DTTHRPZFFBVBFP-KXBFYZLASA-N 1 0 327.428 3.418 20 5 EGBDRO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCCC[NH+](C)C ZINC000154217334 307790087 /nfs/dbraw/zinc/79/00/87/307790087.db2.gz MRSSIZYDXXTGNC-UHFFFAOYSA-N 1 0 339.461 3.024 20 5 EGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](CO)c1ccc(F)cc1 ZINC000414282979 309070375 /nfs/dbraw/zinc/07/03/75/309070375.db2.gz DTYJCODFXMYQLW-BBRMVZONSA-N 1 0 332.375 3.031 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](CO)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000414312656 309072335 /nfs/dbraw/zinc/07/23/35/309072335.db2.gz NXVLVOSWWHPYQX-BBRMVZONSA-N 1 0 332.375 3.469 20 5 EGBDRO CC(C)(C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)c1cccnc1 ZINC000414325914 309073107 /nfs/dbraw/zinc/07/31/07/309073107.db2.gz DIFMBKIXJIEBMB-HZPDHXFCSA-N 1 0 343.431 3.237 20 5 EGBDRO CC(C)[C@@H](CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)[NH+]1CCCC1 ZINC000170639454 307932935 /nfs/dbraw/zinc/93/29/35/307932935.db2.gz VSAZNWBMPYMIFO-QGZVFWFLSA-N 1 0 346.431 3.012 20 5 EGBDRO CCCCNC(=O)C1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255153770 308042207 /nfs/dbraw/zinc/04/22/07/308042207.db2.gz NENZWPRHMRFFNT-VURMDHGXSA-N 1 0 345.443 3.236 20 5 EGBDRO Cc1nccnc1CC[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000293712329 308155266 /nfs/dbraw/zinc/15/52/66/308155266.db2.gz SLQUKIJTEDPOMP-UHFFFAOYSA-N 1 0 341.198 3.332 20 5 EGBDRO CC(C)c1ccc(C[NH2+][C@@H]2CCCC(F)(F)[C@H]2O)cc1[N+](=O)[O-] ZINC000414541463 309087562 /nfs/dbraw/zinc/08/75/62/309087562.db2.gz WBLFCBVCVDIOFZ-HIFRSBDPSA-N 1 0 328.359 3.357 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[NH+]3CCC(CF)CC3)o2)c1 ZINC000295127681 308294679 /nfs/dbraw/zinc/29/46/79/308294679.db2.gz KQAIXMGNMRGRQG-UHFFFAOYSA-N 1 0 333.363 3.474 20 5 EGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](O)Cc1cccc(F)c1 ZINC000295137020 308295785 /nfs/dbraw/zinc/29/57/85/308295785.db2.gz PGZZDQKBHJSYHH-KSSFIOAISA-N 1 0 346.402 3.248 20 5 EGBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCC(CF)CC1 ZINC000295193340 308301538 /nfs/dbraw/zinc/30/15/38/308301538.db2.gz UBOFHGJMYNHYCF-LLVKDONJSA-N 1 0 334.351 3.387 20 5 EGBDRO C[C@H](CCC[NH3+])NC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000295221592 308304482 /nfs/dbraw/zinc/30/44/82/308304482.db2.gz MTMFVYUBTPDYQH-CYBMUJFWSA-N 1 0 343.383 3.244 20 5 EGBDRO Cc1c(C[N@@H+]2CCC[C@H](CC(C)(C)C(N)=O)C2)cccc1[N+](=O)[O-] ZINC000295484278 308331473 /nfs/dbraw/zinc/33/14/73/308331473.db2.gz GRIWRGZJZUMSMK-CQSZACIVSA-N 1 0 333.432 3.017 20 5 EGBDRO C[C@H](NC(=O)NCCCCC[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000296208689 308404406 /nfs/dbraw/zinc/40/44/06/308404406.db2.gz FAJZAKQAJOZYDU-HNNXBMFYSA-N 1 0 348.447 3.221 20 5 EGBDRO [NH3+]C[C@H]1CCCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000414668019 309094754 /nfs/dbraw/zinc/09/47/54/309094754.db2.gz YKFVFJYDYFEXGS-GFCCVEGCSA-N 1 0 335.791 3.431 20 5 EGBDRO C[C@H]([NH2+][C@@H]1CCc2ccccc2NC1=O)c1cccc([N+](=O)[O-])c1 ZINC000299700460 308684880 /nfs/dbraw/zinc/68/48/80/308684880.db2.gz OYKJSGKKNVWHHT-YVEFUNNKSA-N 1 0 325.368 3.199 20 5 EGBDRO Cc1ccc(NC(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000331428683 308806612 /nfs/dbraw/zinc/80/66/12/308806612.db2.gz RBFJIHOKPJZPKR-HOCLYGCPSA-N 1 0 346.431 3.289 20 5 EGBDRO Cc1nc(C)c(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)s1 ZINC000331608256 308811964 /nfs/dbraw/zinc/81/19/64/308811964.db2.gz MBTBQRCOEMELAN-STQMWFEESA-N 1 0 335.433 3.138 20 5 EGBDRO C[C@@H]1CC[C@@H]([NH2+]CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)[C@@H](C)C1 ZINC000331697550 308814613 /nfs/dbraw/zinc/81/46/13/308814613.db2.gz DENGOKHZHAIWLH-VNHYZAJKSA-N 1 0 347.415 3.307 20 5 EGBDRO Cc1c(C[NH2+][C@@H]2CC[C@H](C)C[C@H]2n2cncn2)cccc1[N+](=O)[O-] ZINC000331988800 308823120 /nfs/dbraw/zinc/82/31/20/308823120.db2.gz AMJPHMGKGNZDDF-XGWLTEMNSA-N 1 0 329.404 3.014 20 5 EGBDRO COC(=O)[C@]1(C)CN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)C[C@H]1C ZINC000409525364 308909838 /nfs/dbraw/zinc/90/98/38/308909838.db2.gz KYNITECNQKINKB-ADLMAVQZSA-N 1 0 343.383 3.087 20 5 EGBDRO CC(C)([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000411221348 308931451 /nfs/dbraw/zinc/93/14/51/308931451.db2.gz ABVUHXYPKNVRAU-UHFFFAOYSA-N 1 0 327.384 3.448 20 5 EGBDRO COc1ccc(C[NH2+][C@@H]2Cc3ccccc3[C@@H]2OC)cc1[N+](=O)[O-] ZINC000411893951 308956962 /nfs/dbraw/zinc/95/69/62/308956962.db2.gz QGYIFHFYFFEARW-QAPCUYQASA-N 1 0 328.368 3.005 20 5 EGBDRO O=[N+]([O-])c1cnc(N[C@H]2CC[N@@H+]3CCCC[C@H]23)c(C(F)(F)F)c1 ZINC000413062228 309013993 /nfs/dbraw/zinc/01/39/93/309013993.db2.gz RADBQLLHPBJUFC-NWDGAFQWSA-N 1 0 330.310 3.047 20 5 EGBDRO C[NH+]1CCC(CCNc2ncc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000413108624 309016496 /nfs/dbraw/zinc/01/64/96/309016496.db2.gz PKEVJCOONILHAU-UHFFFAOYSA-N 1 0 332.326 3.152 20 5 EGBDRO [NH3+][C@H](CNCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C1CC1 ZINC000414882742 309107157 /nfs/dbraw/zinc/10/71/57/309107157.db2.gz CGYLTNLSLNYYRQ-OAHLLOKOSA-N 1 0 335.791 3.335 20 5 EGBDRO CC(C)(CCC[NH3+])NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000415431020 309133210 /nfs/dbraw/zinc/13/32/10/309133210.db2.gz DGJVCYMXDZAFHG-UHFFFAOYSA-N 1 0 348.325 3.253 20 5 EGBDRO CC(C)C[C@H](C[NH3+])NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000415432096 309133223 /nfs/dbraw/zinc/13/32/23/309133223.db2.gz FLTGMCIQWQAFQS-SNVBAGLBSA-N 1 0 348.325 3.109 20 5 EGBDRO [NH3+]C1CCC(NC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000415440719 309133510 /nfs/dbraw/zinc/13/35/10/309133510.db2.gz OPRHTTIDUJVZRS-UHFFFAOYSA-N 1 0 346.309 3.005 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000415742319 309142855 /nfs/dbraw/zinc/14/28/55/309142855.db2.gz BDVGUKZWEZLRJE-UHFFFAOYSA-N 1 0 340.383 3.082 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2noc(C3C[NH+](C4CCCCC4)C3)n2)cc1 ZINC000417242409 309198682 /nfs/dbraw/zinc/19/86/82/309198682.db2.gz UGASXSYJGFLRJC-UHFFFAOYSA-N 1 0 328.372 3.377 20 5 EGBDRO O=C1CCCCN1CCC[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417304478 309201144 /nfs/dbraw/zinc/20/11/44/309201144.db2.gz FLLYHLOJTCBSEM-SFHVURJKSA-N 1 0 345.443 3.355 20 5 EGBDRO CC[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@H]1CC1(C)C ZINC000419317433 309264321 /nfs/dbraw/zinc/26/43/21/309264321.db2.gz MTYGUGIFFBBLJY-ZIAGYGMSSA-N 1 0 349.431 3.346 20 5 EGBDRO CCc1ccccc1[C@H]([NH3+])CNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000420282970 309279232 /nfs/dbraw/zinc/27/92/32/309279232.db2.gz SOWZPRTUVRDALO-CYBMUJFWSA-N 1 0 343.412 3.274 20 5 EGBDRO CCc1ccccc1[C@@H]([NH3+])CNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000420282985 309279253 /nfs/dbraw/zinc/27/92/53/309279253.db2.gz SOWZPRTUVRDALO-ZDUSSCGKSA-N 1 0 343.412 3.274 20 5 EGBDRO [NH3+][C@H]1CCC[C@@H](CNc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)C1 ZINC000420291964 309279678 /nfs/dbraw/zinc/27/96/78/309279678.db2.gz WASMRXNYUFYXSY-YPMHNXCESA-N 1 0 332.429 3.070 20 5 EGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000420392583 309286197 /nfs/dbraw/zinc/28/61/97/309286197.db2.gz VSEYLELJLWOHPA-YLQAJVPDSA-N 1 0 329.375 3.222 20 5 EGBDRO Cc1cc(C[NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)cc(C)n1 ZINC000421376234 309321367 /nfs/dbraw/zinc/32/13/67/309321367.db2.gz JCSOVOMOQZZATQ-GFCCVEGCSA-N 1 0 342.399 3.114 20 5 EGBDRO C[NH+](C)C1CCC(NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 ZINC000421682866 309334476 /nfs/dbraw/zinc/33/44/76/309334476.db2.gz BDXCOUALXXAHPK-UHFFFAOYSA-N 1 0 347.459 3.495 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000422081023 309354343 /nfs/dbraw/zinc/35/43/43/309354343.db2.gz BMCXSUPEIVAWLS-UHFFFAOYSA-N 1 0 333.432 3.251 20 5 EGBDRO CC[C@@H](O)C[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000422093365 309354654 /nfs/dbraw/zinc/35/46/54/309354654.db2.gz YORWHRKMKCQEHO-MRXNPFEDSA-N 1 0 329.400 3.223 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000422798642 309368988 /nfs/dbraw/zinc/36/89/88/309368988.db2.gz SDTBRKMBUPBPNX-MRXNPFEDSA-N 1 0 341.411 3.456 20 5 EGBDRO C[C@@H](NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H]1CCCC[NH2+]1 ZINC000423085960 309385187 /nfs/dbraw/zinc/38/51/87/309385187.db2.gz LAASQCJPFSXGMA-YGRLFVJLSA-N 1 0 331.338 3.234 20 5 EGBDRO C[C@@H](NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H]1CCCC[NH2+]1 ZINC000423085959 309385239 /nfs/dbraw/zinc/38/52/39/309385239.db2.gz LAASQCJPFSXGMA-QMTHXVAHSA-N 1 0 331.338 3.234 20 5 EGBDRO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000430824594 309618570 /nfs/dbraw/zinc/61/85/70/309618570.db2.gz QLYSYIJUYNWTDY-FUHWJXTLSA-N 1 0 347.459 3.154 20 5 EGBDRO COc1cc(C)cc(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000447585130 309983300 /nfs/dbraw/zinc/98/33/00/309983300.db2.gz IJBLCMVURCPMAU-SJORKVTESA-N 1 0 344.415 3.382 20 5 EGBDRO COC1(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCCCC1 ZINC000447597835 309983794 /nfs/dbraw/zinc/98/37/94/309983794.db2.gz TXCQMXLLKGNTAN-CABCVRRESA-N 1 0 336.436 3.214 20 5 EGBDRO COc1ccc(CC[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])cc1OC ZINC000449064061 310034098 /nfs/dbraw/zinc/03/40/98/310034098.db2.gz SKYRHBBHGUHXEO-CQSZACIVSA-N 1 0 344.411 3.375 20 5 EGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 ZINC000449068408 310034354 /nfs/dbraw/zinc/03/43/54/310034354.db2.gz BKMWRGGABBYJPV-PMPSAXMXSA-N 1 0 349.475 3.003 20 5 EGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)C(=O)Nc1ccccc1 ZINC000449149597 310040490 /nfs/dbraw/zinc/04/04/90/310040490.db2.gz XLDXYOHNIVKINL-KGLIPLIRSA-N 1 0 327.384 3.143 20 5 EGBDRO Cc1nn(C)c(C)c1CCC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449202937 310044329 /nfs/dbraw/zinc/04/43/29/310044329.db2.gz JJKHADSNAUOUGG-ZDUSSCGKSA-N 1 0 330.432 3.099 20 5 EGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)[C@H](O)Cc1ccccc1 ZINC000449214909 310045212 /nfs/dbraw/zinc/04/52/12/310045212.db2.gz YWCSTZVCPIDEIZ-ZRGWGRIASA-N 1 0 328.412 3.108 20 5 EGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CCN(c2nccs2)CC1 ZINC000449304700 310051761 /nfs/dbraw/zinc/05/17/61/310051761.db2.gz PKYUJFPEVSNUIR-ZDUSSCGKSA-N 1 0 346.456 3.241 20 5 EGBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CCCC1(F)F ZINC000449497361 310066795 /nfs/dbraw/zinc/06/67/95/310066795.db2.gz RCQSVABKUKFEAB-NWDGAFQWSA-N 1 0 341.358 3.337 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](Cc3c[nH]c4nccnc34)C2)cc1 ZINC000449500534 310067230 /nfs/dbraw/zinc/06/72/30/310067230.db2.gz NTAVYKNICPOKRE-CQSZACIVSA-N 1 0 337.383 3.197 20 5 EGBDRO Cc1ccc(C[NH2+][C@H]2CCO[C@@H](c3ccncc3)C2)cc1[N+](=O)[O-] ZINC000449545788 310070422 /nfs/dbraw/zinc/07/04/22/310070422.db2.gz ZMWCUVDCIJYJAK-FUHWJXTLSA-N 1 0 327.384 3.308 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000449557585 310071754 /nfs/dbraw/zinc/07/17/54/310071754.db2.gz VAKVJVLJSSMYNT-IACGBUOMSA-N 1 0 330.428 3.481 20 5 EGBDRO CCC1([NH2+]CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CCCC1 ZINC000451270103 310169102 /nfs/dbraw/zinc/16/91/02/310169102.db2.gz BKBZFWIJCCPINE-UHFFFAOYSA-N 1 0 325.796 3.499 20 5 EGBDRO C[C@@H](C(=O)NC1CCCC1)[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451547649 310185162 /nfs/dbraw/zinc/18/51/62/310185162.db2.gz LIUUQRYSQYDGBS-GOEBONIOSA-N 1 0 345.443 3.222 20 5 EGBDRO C[C@@H](C(=O)NC(C)(C)C)[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451550808 310185621 /nfs/dbraw/zinc/18/56/21/310185621.db2.gz SBBLFVRRNIYPBO-DZGCQCFKSA-N 1 0 333.432 3.077 20 5 EGBDRO CO[C@@H]1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H]1C ZINC000451557868 310186223 /nfs/dbraw/zinc/18/62/23/310186223.db2.gz FOJMFTNHSRCQGN-XJKSGUPXSA-N 1 0 345.399 3.149 20 5 EGBDRO O=C(CC[N@@H+]1CCC[C@@]2(CCSC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000451972278 310206133 /nfs/dbraw/zinc/20/61/33/310206133.db2.gz MSLGHCJVYHFTOG-QGZVFWFLSA-N 1 0 349.456 3.143 20 5 EGBDRO Cc1ccc(C[N@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1C ZINC000452040112 310208983 /nfs/dbraw/zinc/20/89/83/310208983.db2.gz FQMJNDABMULHPM-QGZVFWFLSA-N 1 0 344.411 3.083 20 5 EGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@@H]2CCOC3(CCC3)C2)n1 ZINC000453322975 310270998 /nfs/dbraw/zinc/27/09/98/310270998.db2.gz RJQIKBRBIQYMDB-BZUAXINKSA-N 1 0 348.447 3.214 20 5 EGBDRO Cc1c([C@H](C)[NH2+][C@H]2CCO[C@H](c3ccnn3C)C2)cccc1[N+](=O)[O-] ZINC000453339212 310271868 /nfs/dbraw/zinc/27/18/68/310271868.db2.gz KNMZGRGSNIGTGK-DEYYWGMASA-N 1 0 344.415 3.208 20 5 EGBDRO C[C@H]1CC[C@@H](C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)O1 ZINC000453628417 310285606 /nfs/dbraw/zinc/28/56/06/310285606.db2.gz JIKADEQNDNBRFA-NHYWBVRUSA-N 1 0 333.413 3.375 20 5 EGBDRO C[C@H](CCc1ccccc1)[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000459496733 310556591 /nfs/dbraw/zinc/55/65/91/310556591.db2.gz PTFMMGQUCRDHDC-MRXNPFEDSA-N 1 0 340.427 3.133 20 5 EGBDRO COCC1(C)C[NH+](Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C1 ZINC000459619795 310564670 /nfs/dbraw/zinc/56/46/70/310564670.db2.gz HFBPNYDLUUJMHJ-UHFFFAOYSA-N 1 0 346.383 3.332 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC(=O)Nc1cccc(F)c1 ZINC000468653909 310691645 /nfs/dbraw/zinc/69/16/45/310691645.db2.gz ZAJRBJWZFAYAHL-MDWZMJQESA-N 1 0 343.358 3.366 20 5 EGBDRO CCC[C@@H]([NH2+]CC1(C(=O)NCC)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000488488456 311068179 /nfs/dbraw/zinc/06/81/79/311068179.db2.gz QYKNBYULYXTOHB-MRXNPFEDSA-N 1 0 333.432 3.332 20 5 EGBDRO C[C@H]1CCCC[C@H]1NC(=O)CN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000490197541 311135447 /nfs/dbraw/zinc/13/54/47/311135447.db2.gz BLVJNWLOEACINP-KBXCAEBGSA-N 1 0 345.443 3.254 20 5 EGBDRO CCOc1cc(CN2CCC[C@@H]2C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000492775645 311289622 /nfs/dbraw/zinc/28/96/22/311289622.db2.gz SIKYKWRXNSFZAC-QGZVFWFLSA-N 1 0 347.459 3.444 20 5 EGBDRO C[NH+](C)CC(C)(C)CNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000494110369 311457129 /nfs/dbraw/zinc/45/71/29/311457129.db2.gz FKZLGSDUZLBHAJ-UHFFFAOYSA-N 1 0 335.448 3.210 20 5 EGBDRO CCOC(=O)N(C)C1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000494554230 311488518 /nfs/dbraw/zinc/48/85/18/311488518.db2.gz JJVQFQAJUDRVJJ-VURMDHGXSA-N 1 0 347.415 3.161 20 5 EGBDRO Cc1c(C[NH2+][C@H](C)C2CN(C(=O)OC(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000495803288 311613707 /nfs/dbraw/zinc/61/37/07/311613707.db2.gz JIFDMIRZTURMTB-CYBMUJFWSA-N 1 0 349.431 3.248 20 5 EGBDRO COC(=O)N1CCC(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000497127511 311821716 /nfs/dbraw/zinc/82/17/16/311821716.db2.gz HWQZZKIZOFPFPI-QGZVFWFLSA-N 1 0 347.415 3.040 20 5 EGBDRO COc1ccc([C@H]2CC[N@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000504522176 312007349 /nfs/dbraw/zinc/00/73/49/312007349.db2.gz SDMDMIFPCFBHNZ-INIZCTEOSA-N 1 0 342.395 3.472 20 5 EGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC(C)(C)N(C)C ZINC000504930986 312012984 /nfs/dbraw/zinc/01/29/84/312012984.db2.gz VCAFPCNOCURUCJ-ZDUSSCGKSA-N 1 0 325.478 3.395 20 5 EGBDRO CC[C@@H]1CN(Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)CCO1 ZINC000506340260 312047793 /nfs/dbraw/zinc/04/77/93/312047793.db2.gz HFWRCYBCISDCFW-CYBMUJFWSA-N 1 0 346.383 3.474 20 5 EGBDRO CCOC(=O)C(C)(C)C1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000510093138 312132552 /nfs/dbraw/zinc/13/25/52/312132552.db2.gz WTDXZTPKBSZWDX-UHFFFAOYSA-N 1 0 334.416 3.396 20 5 EGBDRO C[C@@H](C(=O)Nc1ccc(CC[NH+](C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000514834703 312247840 /nfs/dbraw/zinc/24/78/40/312247840.db2.gz ZWDBHVPWUDESMI-CQSZACIVSA-N 1 0 341.411 3.441 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000515425578 312282280 /nfs/dbraw/zinc/28/22/80/312282280.db2.gz CYEFAWGAAZQYGN-GOSISDBHSA-N 1 0 346.431 3.161 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CCc2nc(C)ncc2C1 ZINC000526047037 312786370 /nfs/dbraw/zinc/78/63/70/312786370.db2.gz AOYXIBGFGOVNAC-YJJOXIQCSA-N 1 0 338.411 3.244 20 5 EGBDRO CC[C@@H]([NH2+]Cc1ccc(OCCOC)nc1)c1cccc([N+](=O)[O-])c1 ZINC000532192508 313767092 /nfs/dbraw/zinc/76/70/92/313767092.db2.gz PAFHLJQBVLMWIX-QGZVFWFLSA-N 1 0 345.399 3.256 20 5 EGBDRO CCOc1ccc([C@H](C)[NH2+]CCCCn2ccnc2)cc1[N+](=O)[O-] ZINC000535777308 314072957 /nfs/dbraw/zinc/07/29/57/314072957.db2.gz AGJSFOXTZVOBCL-AWEZNQCLSA-N 1 0 332.404 3.321 20 5 EGBDRO COC(=O)CC1([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCCCC1 ZINC000541772990 314487364 /nfs/dbraw/zinc/48/73/64/314487364.db2.gz LZNRZNBRISSLBC-CLFYSBASSA-N 1 0 332.400 3.464 20 5 EGBDRO CC(C)[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000544070235 314671019 /nfs/dbraw/zinc/67/10/19/314671019.db2.gz MNXVYMIFOHLFBH-APWZRJJASA-N 1 0 344.411 3.321 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC(C)(C)[C@@H]2CCC[C@@H]21 ZINC000550079882 315115293 /nfs/dbraw/zinc/11/52/93/315115293.db2.gz SQLZGGDBLPUNJE-ZBFHGGJFSA-N 1 0 331.416 3.352 20 5 EGBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CCN(C(C)(C)C)C2=O)cc1[N+](=O)[O-] ZINC000563127418 315962640 /nfs/dbraw/zinc/96/26/40/315962640.db2.gz XEFYEJCOOXCXOU-JSGCOSHPSA-N 1 0 349.431 3.044 20 5 EGBDRO O=C(CC[NH2+]C[C@H]1CCC[C@@H]1C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000564857887 316219965 /nfs/dbraw/zinc/21/99/65/316219965.db2.gz QMFXTMRLDGPGTM-HUUCEWRRSA-N 1 0 331.416 3.339 20 5 EGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@H]1CCN(CC(F)(F)F)C1 ZINC000565430280 316323919 /nfs/dbraw/zinc/32/39/19/316323919.db2.gz DBHBTXOHELZEDE-BXUZGUMPSA-N 1 0 343.349 3.056 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000565510911 316332983 /nfs/dbraw/zinc/33/29/83/316332983.db2.gz KFTIOKSLCNCBRC-UONOGXRCSA-N 1 0 348.447 3.399 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](NC[C@H]2CC[N@@H+](C3CC3)C2)C(F)(F)F)cc1 ZINC000570638396 317085451 /nfs/dbraw/zinc/08/54/51/317085451.db2.gz XWLDHEVAJVQXLE-IAQYHMDHSA-N 1 0 343.349 3.272 20 5 EGBDRO COc1ccc(-c2ccc(CN3CC[C@H]([NH3+])C[C@@H]3C)o2)c([N+](=O)[O-])c1 ZINC000571578020 317218722 /nfs/dbraw/zinc/21/87/22/317218722.db2.gz DCXXQXDGAUPFJW-STQMWFEESA-N 1 0 345.399 3.175 20 5 EGBDRO COc1ccc(COCC[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000574414066 317596346 /nfs/dbraw/zinc/59/63/46/317596346.db2.gz KKEPOXLAXHVHFF-SFHVURJKSA-N 1 0 342.395 3.397 20 5 EGBDRO O=[N+]([O-])c1ccc(CN2CCC[C@@H]2[C@H](O)C(F)(F)F)c(Cl)c1 ZINC000272757488 456062258 /nfs/dbraw/zinc/06/22/58/456062258.db2.gz BQVMKIBBOJAABY-NEPJUHHUSA-N 1 0 338.713 3.136 20 5 EGBDRO Cc1cccc(C)c1OC[C@@H](O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173350387 323295200 /nfs/dbraw/zinc/29/52/00/323295200.db2.gz YYSXYMWYDNKIRR-YJBOKZPZSA-N 1 0 344.411 3.302 20 5 EGBDRO C[C@@H]([NH2+]CC(=O)NCc1cccc(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000180403922 323439178 /nfs/dbraw/zinc/43/91/78/323439178.db2.gz ONIIULJTOBORNZ-GFCCVEGCSA-N 1 0 347.802 3.215 20 5 EGBDRO C[C@@H]([NH2+]CC(=O)N1c2ccccc2C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000180427093 323440051 /nfs/dbraw/zinc/44/00/51/323440051.db2.gz PCDHJYPZUXPHIF-ZIAGYGMSSA-N 1 0 339.395 3.223 20 5 EGBDRO CC1(C)C[C@H]([NH2+][C@@H]2C[C@@H]3CCCCN3C2=O)c2cc([N+](=O)[O-])ccc21 ZINC000578847207 325027044 /nfs/dbraw/zinc/02/70/44/325027044.db2.gz UIJAYTDGGSXPNB-VUCTXSBTSA-N 1 0 343.427 3.060 20 5 EGBDRO CC(C)(C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1=CCCC1 ZINC000579464959 325113859 /nfs/dbraw/zinc/11/38/59/325113859.db2.gz CAAHDKDPJGMVDJ-OAHLLOKOSA-N 1 0 334.416 3.061 20 5 EGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@@H](CO)Cc1ccccc1 ZINC000579859590 325169365 /nfs/dbraw/zinc/16/93/65/325169365.db2.gz YHEBQLCQXLEQTE-MAUKXSAKSA-N 1 0 326.396 3.023 20 5 EGBDRO COc1cc(C)ccc1C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000581126345 325332966 /nfs/dbraw/zinc/33/29/66/325332966.db2.gz FOFOUXVJQUUWGV-UHFFFAOYSA-N 1 0 343.383 3.030 20 5 EGBDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000581344694 325352995 /nfs/dbraw/zinc/35/29/95/325352995.db2.gz NJBBIKAEAJQSSR-MAUKXSAKSA-N 1 0 347.459 3.325 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000173108260 455232831 /nfs/dbraw/zinc/23/28/31/455232831.db2.gz KQPDVRNDOVXRAF-HOTGVXAUSA-N 1 0 347.459 3.391 20 5 EGBDRO CC(C)C(=O)NCC[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000180837665 455253759 /nfs/dbraw/zinc/25/37/59/455253759.db2.gz HDVKVMARMAAASR-UHFFFAOYSA-N 1 0 345.399 3.059 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@H]2CCC[C@@H]2CCO)o1 ZINC000189941264 455257692 /nfs/dbraw/zinc/25/76/92/455257692.db2.gz AMTQOOAEOLSWJW-CZUORRHYSA-N 1 0 330.384 3.496 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@H]3CCC[C@@H]3CCO)o2)c1 ZINC000189978020 455265192 /nfs/dbraw/zinc/26/51/92/455265192.db2.gz GGFKJNWOOINKKU-DYVFJYSZSA-N 1 0 330.384 3.496 20 5 EGBDRO C[N@@H+]1CCCC[C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000600682364 460567082 /nfs/dbraw/zinc/56/70/82/460567082.db2.gz MMPYWOASVDKBFF-NSHDSACASA-N 1 0 340.811 3.102 20 5 EGBDRO Cc1cccc([C@@H](C)[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1C ZINC000183722352 455323624 /nfs/dbraw/zinc/32/36/24/455323624.db2.gz RSLXGSRZHOAWRH-NVXWUHKLSA-N 1 0 344.411 3.302 20 5 EGBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000008118432 453163029 /nfs/dbraw/zinc/16/30/29/453163029.db2.gz UYYZQLDFRCVQQQ-OLZOCXBDSA-N 1 0 343.383 3.281 20 5 EGBDRO C[C@H]1C[NH+](CCCNc2ccc([N+](=O)[O-])c3cnccc23)C[C@H](C)O1 ZINC000015554545 453577379 /nfs/dbraw/zinc/57/73/79/453577379.db2.gz PSCGLOSEHPFZCJ-KBPBESRZSA-N 1 0 344.415 3.054 20 5 EGBDRO CCn1ccc(C[N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)c1 ZINC000616786303 460619440 /nfs/dbraw/zinc/61/94/40/460619440.db2.gz SXHAAKHPDDXXNW-UHFFFAOYSA-N 1 0 344.415 3.185 20 5 EGBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccc(F)cc1F ZINC000025071141 453756963 /nfs/dbraw/zinc/75/69/63/453756963.db2.gz UECODJXOMYKBSS-UHFFFAOYSA-N 1 0 349.337 3.334 20 5 EGBDRO CC1CC[NH+]([C@@H](CNc2c([N+](=O)[O-])ncn2C)c2cccs2)CC1 ZINC000029845878 453832082 /nfs/dbraw/zinc/83/20/82/453832082.db2.gz JPVWPKYXJVBUQH-ZDUSSCGKSA-N 1 0 349.460 3.275 20 5 EGBDRO CC(C)[C@@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(C)CC1 ZINC000031093096 453837976 /nfs/dbraw/zinc/83/79/76/453837976.db2.gz RPDCVOVPTLOTPF-QGZVFWFLSA-N 1 0 348.447 3.473 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)Cc1cccs1 ZINC000030921953 453841436 /nfs/dbraw/zinc/84/14/36/453841436.db2.gz PAFFVRKBLQXAIY-UHFFFAOYSA-N 1 0 349.412 3.126 20 5 EGBDRO CC[NH+](CC)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC000031987830 453860348 /nfs/dbraw/zinc/86/03/48/453860348.db2.gz XDXYQIRLBQEWST-MRXNPFEDSA-N 1 0 347.440 3.469 20 5 EGBDRO C[C@H](C[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000066854649 453881283 /nfs/dbraw/zinc/88/12/83/453881283.db2.gz WNWYTIOJHHJFJU-CQSZACIVSA-N 1 0 327.384 3.269 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000067140077 453905717 /nfs/dbraw/zinc/90/57/17/453905717.db2.gz JGVNHQVOSVYTMX-KRWDZBQOSA-N 1 0 345.374 3.075 20 5 EGBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@H](CCO)c1ccccc1 ZINC000075897900 453937729 /nfs/dbraw/zinc/93/77/29/453937729.db2.gz RNPKDWWSLGXKLR-GOSISDBHSA-N 1 0 330.384 3.029 20 5 EGBDRO O=[N+]([O-])c1ccc2oc(CN3CC[C@H](C[NH+]4CCCCC4)C3)nc2c1 ZINC000083213548 453943303 /nfs/dbraw/zinc/94/33/03/453943303.db2.gz CPTPUOIEHWVXKD-CQSZACIVSA-N 1 0 344.415 3.044 20 5 EGBDRO CC[NH+]1CCC(CCNC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000085635938 454035898 /nfs/dbraw/zinc/03/58/98/454035898.db2.gz PQPREYKYLRFCLP-UHFFFAOYSA-N 1 0 348.447 3.455 20 5 EGBDRO Cc1ccccc1C[NH+]1CCC(Nc2ccc([N+](=O)[O-])nc2)CC1 ZINC000076836128 454041794 /nfs/dbraw/zinc/04/17/94/454041794.db2.gz AJLNDFVUTKKDBL-UHFFFAOYSA-N 1 0 326.400 3.375 20 5 EGBDRO Cc1c(NC(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000056530757 454065570 /nfs/dbraw/zinc/06/55/70/454065570.db2.gz BFZPEKIINMDCTN-MELADBBJSA-N 1 0 348.447 3.391 20 5 EGBDRO CC[N@@H+]1CCC[C@H]1CNc1ccc([N+](=O)[O-])cc1Br ZINC000043596467 454069475 /nfs/dbraw/zinc/06/94/75/454069475.db2.gz BRQVSFYFESZPFQ-NSHDSACASA-N 1 0 328.210 3.254 20 5 EGBDRO C[N@@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000044537855 454105338 /nfs/dbraw/zinc/10/53/38/454105338.db2.gz FKKWCDDHPUEYKP-JTQLQIEISA-N 1 0 328.210 3.111 20 5 EGBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Cl)C[NH+]1CCCCC1 ZINC000077511018 454116162 /nfs/dbraw/zinc/11/61/62/454116162.db2.gz OBFUVAMJGKFCGI-LBPRGKRZSA-N 1 0 339.823 3.100 20 5 EGBDRO COCCOc1ccc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000089513302 454157224 /nfs/dbraw/zinc/15/72/24/454157224.db2.gz YMIFXPNNSDMFCM-AWEZNQCLSA-N 1 0 330.384 3.471 20 5 EGBDRO C[NH+](C)[C@@H](CNC(=O)/C=C/c1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000058075443 454162951 /nfs/dbraw/zinc/16/29/51/454162951.db2.gz SQHZNFFBVUIUGU-HVHJFMEUSA-N 1 0 345.424 3.089 20 5 EGBDRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000046427582 454251492 /nfs/dbraw/zinc/25/14/92/454251492.db2.gz YZJWERAMHIKIEL-KBPBESRZSA-N 1 0 334.420 3.084 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCCSCC3)o2)c1 ZINC000089980541 454252048 /nfs/dbraw/zinc/25/20/48/454252048.db2.gz NOAXJFGBDSHTKN-UHFFFAOYSA-N 1 0 333.413 3.231 20 5 EGBDRO CC[C@H]([NH2+][C@H](C)C(=O)NCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000090068530 454271586 /nfs/dbraw/zinc/27/15/86/454271586.db2.gz FSJGWEWQMPIPKJ-KDOFPFPSSA-N 1 0 341.411 3.340 20 5 EGBDRO COc1ccc([C@H](CCO)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000120382924 454294426 /nfs/dbraw/zinc/29/44/26/454294426.db2.gz ARKSOLMLCXCLNY-UGSOOPFHSA-N 1 0 330.384 3.378 20 5 EGBDRO C[C@@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000047119427 454331235 /nfs/dbraw/zinc/33/12/35/454331235.db2.gz ZOUBVIRYNKDYMW-NEPJUHHUSA-N 1 0 339.823 3.098 20 5 EGBDRO CN(C)c1cccc(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000090851243 454346122 /nfs/dbraw/zinc/34/61/22/454346122.db2.gz LJQWVOJKTPNTBQ-QGZVFWFLSA-N 1 0 340.427 3.167 20 5 EGBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 ZINC000090910027 454350045 /nfs/dbraw/zinc/35/00/45/454350045.db2.gz IBZBRZIFUXHLFX-CYBMUJFWSA-N 1 0 328.368 3.259 20 5 EGBDRO C[C@@H]1CC[C@H](C)[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000072897202 454360032 /nfs/dbraw/zinc/36/00/32/454360032.db2.gz DSWJCOCTNAKBQJ-OLZOCXBDSA-N 1 0 333.388 3.013 20 5 EGBDRO Cc1c(NC(=O)NCc2ccc(C[NH+](C)C)cc2)cccc1[N+](=O)[O-] ZINC000079085456 454365738 /nfs/dbraw/zinc/36/57/38/454365738.db2.gz MYVFMDVZOXUWDO-UHFFFAOYSA-N 1 0 342.399 3.287 20 5 EGBDRO C[C@@]1(c2ccccc2)CN(Cc2c(F)cccc2[N+](=O)[O-])CCO1 ZINC000121373373 454427580 /nfs/dbraw/zinc/42/75/80/454427580.db2.gz WDYIGQVXBYOGOB-SFHVURJKSA-N 1 0 330.359 3.482 20 5 EGBDRO NC(=O)c1ccc(C[NH2+][C@H]2CCC[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000133457961 454427992 /nfs/dbraw/zinc/42/79/92/454427992.db2.gz DCFWHTILLAAXSZ-SJORKVTESA-N 1 0 339.395 3.120 20 5 EGBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000063695153 454437195 /nfs/dbraw/zinc/43/71/95/454437195.db2.gz RRZDGTFHNWXPRH-LBPRGKRZSA-N 1 0 339.823 3.098 20 5 EGBDRO CC[N@H+](C)Cc1cccc(CNC(=O)c2ccc(F)cc2[N+](=O)[O-])c1 ZINC000133655622 454450993 /nfs/dbraw/zinc/45/09/93/454450993.db2.gz CKIWJGSCSPWTMU-UHFFFAOYSA-N 1 0 345.374 3.116 20 5 EGBDRO COCC[C@H](C)[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000102426357 454505185 /nfs/dbraw/zinc/50/51/85/454505185.db2.gz LLSQHKSUBZAOBJ-LBPRGKRZSA-N 1 0 334.372 3.378 20 5 EGBDRO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000064995704 454522398 /nfs/dbraw/zinc/52/23/98/454522398.db2.gz SUUIXDDBFXBTQZ-RHSMWYFYSA-N 1 0 347.459 3.420 20 5 EGBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000065140798 454532385 /nfs/dbraw/zinc/53/23/85/454532385.db2.gz XTBFQKZOYLRCGW-GXTWGEPZSA-N 1 0 345.424 3.222 20 5 EGBDRO C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cn2)CC[N@@H+]1Cc1ccccc1 ZINC000080230851 454553033 /nfs/dbraw/zinc/55/30/33/454553033.db2.gz WNAAKHMDPUUQCH-ZBFHGGJFSA-N 1 0 326.400 3.455 20 5 EGBDRO COC1CC[NH+](CCNc2cc(C)c([N+](=O)[O-])cc2Cl)CC1 ZINC000080250145 454556823 /nfs/dbraw/zinc/55/68/23/454556823.db2.gz CDCLZKGRBUULLQ-UHFFFAOYSA-N 1 0 327.812 3.079 20 5 EGBDRO CS[C@@H]1CCCC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000134541658 454558161 /nfs/dbraw/zinc/55/81/61/454558161.db2.gz WRJDFWCAWBFFHI-CQSZACIVSA-N 1 0 348.428 3.362 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[N@@H+](CCCO)[C@@H]1CCc2ccccc21 ZINC000074312644 454560864 /nfs/dbraw/zinc/56/08/64/454560864.db2.gz BINPMCJAGHNEQX-LJQANCHMSA-N 1 0 326.396 3.467 20 5 EGBDRO C[C@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC[NH2+]1 ZINC000092454724 454568649 /nfs/dbraw/zinc/56/86/49/454568649.db2.gz KXNOFHSWLQHAPI-NSHDSACASA-N 1 0 335.791 3.302 20 5 EGBDRO CC[NH+](CC)C[C@@H]1CCN(c2ccc([N+](=O)[O-])c3cccnc32)C1 ZINC000092658488 454604327 /nfs/dbraw/zinc/60/43/27/454604327.db2.gz SFAFMHLAJANSNQ-AWEZNQCLSA-N 1 0 328.416 3.311 20 5 EGBDRO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000051050742 454606495 /nfs/dbraw/zinc/60/64/95/454606495.db2.gz KRRPEVCQKAOUAH-PBHICJAKSA-N 1 0 347.459 3.420 20 5 EGBDRO CN(c1ncccc1[N+](=O)[O-])[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000074775021 454633099 /nfs/dbraw/zinc/63/30/99/454633099.db2.gz APOAATCUTDBQJM-INIZCTEOSA-N 1 0 326.400 3.091 20 5 EGBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000105326987 454633323 /nfs/dbraw/zinc/63/33/23/454633323.db2.gz YQARDQRVKAMXSV-AWEZNQCLSA-N 1 0 333.432 3.059 20 5 EGBDRO Cn1cc(C[NH2+]C[C@@H]2Cc3ccccc32)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000105444539 454639079 /nfs/dbraw/zinc/63/90/79/454639079.db2.gz DPJNIVQLOLCGJI-INIZCTEOSA-N 1 0 348.406 3.425 20 5 EGBDRO C[C@@H]1CCC[N@H+](CCCCNc2nc3sccn3c2[N+](=O)[O-])C1 ZINC000052247767 454665074 /nfs/dbraw/zinc/66/50/74/454665074.db2.gz SDAQIVIWPADITO-GFCCVEGCSA-N 1 0 337.449 3.228 20 5 EGBDRO Cc1ccc([C@@H](CNc2nc(C)ccc2[N+](=O)[O-])[NH+]2CCCC2)o1 ZINC000124009479 454693485 /nfs/dbraw/zinc/69/34/85/454693485.db2.gz LFDRYNGTOTYBNX-OAHLLOKOSA-N 1 0 330.388 3.449 20 5 EGBDRO CC[C@@H]([NH2+]CCc1cn2c(n1)CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000152786459 454725548 /nfs/dbraw/zinc/72/55/48/454725548.db2.gz AEXDYKRRINKJJG-QGZVFWFLSA-N 1 0 328.416 3.411 20 5 EGBDRO CCOc1ccc([C@H](C)NC[C@H](C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000153037951 454755182 /nfs/dbraw/zinc/75/51/82/454755182.db2.gz DFNVFSLILITDQQ-GJZGRUSLSA-N 1 0 335.448 3.376 20 5 EGBDRO C[C@@H]([NH2+][C@H]1CCN(C(=O)C2CCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000125958550 454859373 /nfs/dbraw/zinc/85/93/73/454859373.db2.gz ZGYGOLSIALWHPH-CJNGLKHVSA-N 1 0 331.416 3.037 20 5 EGBDRO CCc1ccc(C(=O)NC2CC[NH+](C3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000177411523 454861764 /nfs/dbraw/zinc/86/17/64/454861764.db2.gz FJYAORCUBPYWTA-UHFFFAOYSA-N 1 0 345.443 3.294 20 5 EGBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000111420890 454863507 /nfs/dbraw/zinc/86/35/07/454863507.db2.gz FFSUBIMUPLDZKR-LBPRGKRZSA-N 1 0 340.811 3.244 20 5 EGBDRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000150809405 454895916 /nfs/dbraw/zinc/89/59/16/454895916.db2.gz YSQVKLPRWGZSJK-IJDCCNJMSA-N 1 0 343.427 3.085 20 5 EGBDRO CCCC[N@H+](C)CC1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000112918694 454906071 /nfs/dbraw/zinc/90/60/71/454906071.db2.gz YGRZNZJTISIWPT-UHFFFAOYSA-N 1 0 333.432 3.179 20 5 EGBDRO C[NH+](C)CC(C)(C)CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000113311074 454922319 /nfs/dbraw/zinc/92/23/19/454922319.db2.gz GCPYOTNVASROOQ-UHFFFAOYSA-N 1 0 348.472 3.396 20 5 EGBDRO CC(C)OCC[NH+]1CCC(Nc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000266991040 455489619 /nfs/dbraw/zinc/48/96/19/455489619.db2.gz AIMNVOFLWPXVGM-UHFFFAOYSA-N 1 0 325.384 3.035 20 5 EGBDRO CC[C@H]([NH2+][C@@H]1CCN(C(=O)C2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000126986128 454930852 /nfs/dbraw/zinc/93/08/52/454930852.db2.gz YEYMTOWGFGSACJ-AEFFLSMTSA-N 1 0 345.443 3.427 20 5 EGBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000178116255 454935927 /nfs/dbraw/zinc/93/59/27/454935927.db2.gz SMPVUOVROIJUBA-MRXNPFEDSA-N 1 0 345.443 3.208 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC2(CCOCC2)C1 ZINC000266998203 455490489 /nfs/dbraw/zinc/49/04/89/455490489.db2.gz BSFNVONPYYQZRS-UHFFFAOYSA-N 1 0 334.416 3.386 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@](O)(c2ccccc2)C(F)(F)F)cc1 ZINC000170790876 454978402 /nfs/dbraw/zinc/97/84/02/454978402.db2.gz VFTUOXYJUQATOV-HNNXBMFYSA-N 1 0 340.301 3.135 20 5 EGBDRO Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])s2)c(OCC[NH+](C)C)c1 ZINC000151392003 454978732 /nfs/dbraw/zinc/97/87/32/454978732.db2.gz PDNPHPNMJLRCPU-UHFFFAOYSA-N 1 0 349.412 3.157 20 5 EGBDRO C[C@H](c1ccccn1)N(C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000128032049 455019638 /nfs/dbraw/zinc/01/96/38/455019638.db2.gz DPXZTBJDAODDEV-GFCCVEGCSA-N 1 0 329.356 3.049 20 5 EGBDRO C[NH+](C)CCCC1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000179288153 455029070 /nfs/dbraw/zinc/02/90/70/455029070.db2.gz IRIPGLAPXFMNID-UHFFFAOYSA-N 1 0 334.420 3.181 20 5 EGBDRO O=[N+]([O-])c1cccc(C[N@@H+](C[C@@H](O)Cc2ccccc2)C2CC2)c1 ZINC000155719053 455035826 /nfs/dbraw/zinc/03/58/26/455035826.db2.gz ZFBOIZYLSRMWKV-IBGZPJMESA-N 1 0 326.396 3.163 20 5 EGBDRO CCOc1ccc([C@@H](C)[NH2+]CCC(=O)N2CCCCC2)cc1[N+](=O)[O-] ZINC000179402669 455045690 /nfs/dbraw/zinc/04/56/90/455045690.db2.gz OYZMPMNEOBPKPD-CQSZACIVSA-N 1 0 349.431 3.047 20 5 EGBDRO C[NH+](C)CC[C@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(C)(C)C ZINC000116232271 455048812 /nfs/dbraw/zinc/04/88/12/455048812.db2.gz CVAVRVZMZAAMNV-AWEZNQCLSA-N 1 0 341.839 3.344 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)cc1 ZINC000152271746 455095569 /nfs/dbraw/zinc/09/55/69/455095569.db2.gz NJLVRRFZCDOUCG-HNNXBMFYSA-N 1 0 341.415 3.012 20 5 EGBDRO COc1ccc(NC(=O)C[N@@H+]2[C@H](C)C[C@H]3CCCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000118850005 455115016 /nfs/dbraw/zinc/11/50/16/455115016.db2.gz GGDIXWUJSJQVHN-IOASZLSFSA-N 1 0 347.415 3.195 20 5 EGBDRO COc1cc(NCC2CCN(c3cc[nH+]cc3)CC2)ccc1[N+](=O)[O-] ZINC000180043175 455121685 /nfs/dbraw/zinc/12/16/85/455121685.db2.gz BDWLWXCGCCGYTO-UHFFFAOYSA-N 1 0 342.399 3.327 20 5 EGBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2C[C@H]3CCCC[C@@]32c2ccccc2)n1 ZINC000152508082 455129157 /nfs/dbraw/zinc/12/91/57/455129157.db2.gz SNMUTGRGIQEPHW-SJLPKXTDSA-N 1 0 326.400 3.193 20 5 EGBDRO COc1cccc([C@@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)N(C)C)c1 ZINC000237312251 455171472 /nfs/dbraw/zinc/17/14/72/455171472.db2.gz JOOOSCVJLDLZCD-OAHLLOKOSA-N 1 0 335.429 3.057 20 5 EGBDRO C[C@H]([NH2+]Cc1cnn(C)c1C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000180455889 455173203 /nfs/dbraw/zinc/17/32/03/455173203.db2.gz XPFRIPJVBUOOPX-VIFPVBQESA-N 1 0 328.294 3.198 20 5 EGBDRO CCn1nc(C)c([N+](=O)[O-])c1NC1CC[NH+](Cc2ccccc2)CC1 ZINC000172823562 455192933 /nfs/dbraw/zinc/19/29/33/455192933.db2.gz RQZKQTRUBLERTK-UHFFFAOYSA-N 1 0 343.431 3.196 20 5 EGBDRO COc1cc(C[NH2+]Cc2cccc(CSC)c2)c([N+](=O)[O-])cc1O ZINC000189485819 455205432 /nfs/dbraw/zinc/20/54/32/455205432.db2.gz ORKCZDRSTXZUOR-UHFFFAOYSA-N 1 0 348.424 3.462 20 5 EGBDRO C[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000245441504 455300004 /nfs/dbraw/zinc/30/00/04/455300004.db2.gz HJWZCWFSNRFEAJ-CKEIUWERSA-N 1 0 343.427 3.137 20 5 EGBDRO CC(C)[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccccc1Cl ZINC000183691667 455322290 /nfs/dbraw/zinc/32/22/90/455322290.db2.gz KMSUSXGWGPVUFR-QGZVFWFLSA-N 1 0 349.818 3.397 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)ccc1NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000265486864 455333943 /nfs/dbraw/zinc/33/39/43/455333943.db2.gz JJGWUSDRSOCSHS-GFCCVEGCSA-N 1 0 339.823 3.161 20 5 EGBDRO C[C@@](O)(C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])c1ccsc1 ZINC000265894755 455400918 /nfs/dbraw/zinc/40/09/18/455400918.db2.gz SJGJGVMGNPECOA-CQSZACIVSA-N 1 0 326.805 3.307 20 5 EGBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H](c2ccccc2)c2ccc(F)cc2)c1 ZINC000174855600 455417133 /nfs/dbraw/zinc/41/71/33/455417133.db2.gz CVUVVXASZBFZLR-GOSISDBHSA-N 1 0 340.358 3.310 20 5 EGBDRO C[C@@H](c1ccco1)[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000246094174 455425393 /nfs/dbraw/zinc/42/53/93/455425393.db2.gz NUSCWAQNNXTZRR-XJKSGUPXSA-N 1 0 346.383 3.153 20 5 EGBDRO CCCC[C@H]([NH2+]CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C1CCC1 ZINC000184869971 455464172 /nfs/dbraw/zinc/46/41/72/455464172.db2.gz JRSRUJDOTCCJAL-HNNXBMFYSA-N 1 0 349.431 3.490 20 5 EGBDRO CCOC(=O)[C@@](C)(C[NH2+]Cc1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000191642180 455506592 /nfs/dbraw/zinc/50/65/92/455506592.db2.gz IFXJFYLVCPSJGM-KRWDZBQOSA-N 1 0 348.424 3.267 20 5 EGBDRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3cc4ccccc4c4cccnc34)C[C@@H]12 ZINC000185188020 455517781 /nfs/dbraw/zinc/51/77/81/455517781.db2.gz MIBXCVADRFEGQU-GDIGMMSISA-N 1 0 331.419 3.197 20 5 EGBDRO Cc1c(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cccc1[N+](=O)[O-] ZINC000247017215 455545048 /nfs/dbraw/zinc/54/50/48/455545048.db2.gz XTWNZOFQXXOLLZ-QFBILLFUSA-N 1 0 329.444 3.352 20 5 EGBDRO Cc1ccc([C@H](CNC(=O)c2c(F)cccc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000601020434 460677690 /nfs/dbraw/zinc/67/76/90/460677690.db2.gz PIVPICARGHOXSR-INIZCTEOSA-N 1 0 345.374 3.075 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185674805 455593589 /nfs/dbraw/zinc/59/35/89/455593589.db2.gz JRAODSGCPIJFKM-LSDHHAIUSA-N 1 0 347.459 3.346 20 5 EGBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@H](c2nnc[nH]2)C2CCCCC2)c1 ZINC000292202071 455594757 /nfs/dbraw/zinc/59/47/57/455594757.db2.gz PPUHMDBADIIYOI-INIZCTEOSA-N 1 0 329.404 3.167 20 5 EGBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000268128707 455596352 /nfs/dbraw/zinc/59/63/52/455596352.db2.gz DEWXCUIPTISPGP-ZDUSSCGKSA-N 1 0 345.399 3.049 20 5 EGBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185694374 455598578 /nfs/dbraw/zinc/59/85/78/455598578.db2.gz WRWMVJQZFFWTNS-DOTOQJQBSA-N 1 0 331.460 3.380 20 5 EGBDRO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185692906 455598708 /nfs/dbraw/zinc/59/87/08/455598708.db2.gz YOPNAVZWRRSZGT-HOTGVXAUSA-N 1 0 347.459 3.216 20 5 EGBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000247561147 455624511 /nfs/dbraw/zinc/62/45/11/455624511.db2.gz ZPONADMPCYLFEN-SMDDNHRTSA-N 1 0 347.440 3.222 20 5 EGBDRO CC(C)[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H](C)c1ccccc1 ZINC000292330555 455630527 /nfs/dbraw/zinc/63/05/27/455630527.db2.gz WHNKWXFUQOMWJN-HNNXBMFYSA-N 1 0 329.400 3.228 20 5 EGBDRO C[C@H](C[C@@H](C)[NH2+]Cc1ccccc1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000271424912 455632100 /nfs/dbraw/zinc/63/21/00/455632100.db2.gz CKFWBYKXJJAVQH-CHWSQXEVSA-N 1 0 337.420 3.376 20 5 EGBDRO CC(C)C[C@H]1OCCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000284089525 455635634 /nfs/dbraw/zinc/63/56/34/455635634.db2.gz LUTLTQLCVAXAHV-GOEBONIOSA-N 1 0 337.376 3.186 20 5 EGBDRO CC[NH+](CC)CCCC1CCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000192527395 455636875 /nfs/dbraw/zinc/63/68/75/455636875.db2.gz MQQVTMSBZDNHDB-UHFFFAOYSA-N 1 0 326.466 3.390 20 5 EGBDRO CCCC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](C)c1ccccc1 ZINC000247685139 455637300 /nfs/dbraw/zinc/63/73/00/455637300.db2.gz UWSZSPJQANKCLU-QAPCUYQASA-N 1 0 346.431 3.016 20 5 EGBDRO CCCC[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](C)c1ccccc1 ZINC000247685135 455637750 /nfs/dbraw/zinc/63/77/50/455637750.db2.gz UWSZSPJQANKCLU-CRAIPNDOSA-N 1 0 346.431 3.016 20 5 EGBDRO COc1ccc([C@@H](OC)[C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000271452725 455642940 /nfs/dbraw/zinc/64/29/40/455642940.db2.gz FANKGVUFFMVRNN-ACJLOTCBSA-N 1 0 330.384 3.469 20 5 EGBDRO CCOC(=O)N1CCC([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000192638862 455659094 /nfs/dbraw/zinc/65/90/94/455659094.db2.gz XHECWCMXKOUDCR-QGZVFWFLSA-N 1 0 347.415 3.183 20 5 EGBDRO CCn1cc(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])cn1 ZINC000271553952 455681803 /nfs/dbraw/zinc/68/18/03/455681803.db2.gz WFVBVOZSTBOOID-RDJZCZTQSA-N 1 0 328.416 3.312 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248197949 455697169 /nfs/dbraw/zinc/69/71/69/455697169.db2.gz XRPMQAXQOVAWDM-YJBOKZPZSA-N 1 0 347.459 3.298 20 5 EGBDRO CCOc1cccc([C@H](C)[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000271614957 455700647 /nfs/dbraw/zinc/70/06/47/455700647.db2.gz AKCKLPXAICLTSE-SCLBCKFNSA-N 1 0 330.384 3.378 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCCOC[C@H]1CCOC1)CCC2 ZINC000192889384 455713068 /nfs/dbraw/zinc/71/30/68/455713068.db2.gz DLPTXWGQDYBTNE-KDOFPFPSSA-N 1 0 334.416 3.005 20 5 EGBDRO C[NH+](C)CCCC1CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000278205079 455785916 /nfs/dbraw/zinc/78/59/16/455785916.db2.gz FHDOOYOZFHTOBM-UHFFFAOYSA-N 1 0 332.448 3.121 20 5 EGBDRO CN(CCc1ccccc1[N+](=O)[O-])Cc1nc(-c2ccsc2)no1 ZINC000285219449 455806328 /nfs/dbraw/zinc/80/63/28/455806328.db2.gz FEERWFCETUAGMW-UHFFFAOYSA-N 1 0 344.396 3.381 20 5 EGBDRO Cc1cc(C(=O)NC2CC[NH+](CC3CCCC3)CC2)cc([N+](=O)[O-])c1 ZINC000194522932 455854261 /nfs/dbraw/zinc/85/42/61/455854261.db2.gz IAJMTGBZIGWYNM-UHFFFAOYSA-N 1 0 345.443 3.288 20 5 EGBDRO C[C@@H](Nc1ccc([N+](=O)[O-])cn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272340594 455919880 /nfs/dbraw/zinc/91/98/80/455919880.db2.gz WXBZPYZLJOGNCO-GDBMZVCRSA-N 1 0 326.400 3.312 20 5 EGBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc(C2([NH3+])CCC2)no1 ZINC000261864450 455961360 /nfs/dbraw/zinc/96/13/60/455961360.db2.gz UQIVDRWCKHKNKY-QMMMGPOBSA-N 1 0 338.751 3.109 20 5 EGBDRO CC(C)OCCC[N@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000270524270 455975791 /nfs/dbraw/zinc/97/57/91/455975791.db2.gz DGOJVFLRUGWZHN-UHFFFAOYSA-N 1 0 333.388 3.497 20 5 EGBDRO C[C@H](O)C[C@H]1CCCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000286136110 455985354 /nfs/dbraw/zinc/98/53/54/455985354.db2.gz VIZRKQZQNWHUFP-GXTWGEPZSA-N 1 0 337.376 3.019 20 5 EGBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1c1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000286179268 455994253 /nfs/dbraw/zinc/99/42/53/455994253.db2.gz AJHZSRIKJDEQLP-QWRGUYRKSA-N 1 0 344.337 3.072 20 5 EGBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1c1ccc([N+](=O)[O-])c2cnccc21 ZINC000286299146 456019238 /nfs/dbraw/zinc/01/92/38/456019238.db2.gz GAVYXLPOLYVFPA-CJNGLKHVSA-N 1 0 326.400 3.206 20 5 EGBDRO CC(C)(C)c1ccc(C(=O)N2CCCC[C@@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC000286341754 456027533 /nfs/dbraw/zinc/02/75/33/456027533.db2.gz ZLMXBRWEJSLNFN-CQSZACIVSA-N 1 0 333.432 3.236 20 5 EGBDRO Cc1cnc(NC[C@H](C)[N@@H+]2CCc3sccc3C2)c([N+](=O)[O-])c1 ZINC000301455422 456119954 /nfs/dbraw/zinc/11/99/54/456119954.db2.gz RUWRQPVWQYQOCK-LBPRGKRZSA-N 1 0 332.429 3.218 20 5 EGBDRO CN(CC[NH+](C)C)c1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000301455214 456120768 /nfs/dbraw/zinc/12/07/68/456120768.db2.gz BOKGHPZKAJZLIF-UHFFFAOYSA-N 1 0 325.718 3.265 20 5 EGBDRO O=C(c1cc2ccccc2c2cccnc12)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000289719366 456137894 /nfs/dbraw/zinc/13/78/94/456137894.db2.gz CBJWPKNXSYEJOH-CVEARBPZSA-N 1 0 331.419 3.070 20 5 EGBDRO C[C@@H]1C[N@@H+](CCCCNc2ccc(F)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000301543612 456142256 /nfs/dbraw/zinc/14/22/56/456142256.db2.gz DEALPMOKYLHQMX-BETUJISGSA-N 1 0 325.384 3.035 20 5 EGBDRO Cc1nnc(CC[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)s1 ZINC000289834308 456149559 /nfs/dbraw/zinc/14/95/59/456149559.db2.gz MWWNJGWTBDGXQR-UHFFFAOYSA-N 1 0 344.396 3.347 20 5 EGBDRO O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000281154901 456149920 /nfs/dbraw/zinc/14/99/20/456149920.db2.gz ZHCLNOLPUWGQOQ-HNNXBMFYSA-N 1 0 349.406 3.261 20 5 EGBDRO CN(C(=O)C[NH2+]C(C)(C)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000263645239 456179938 /nfs/dbraw/zinc/17/99/38/456179938.db2.gz AJJGSXIIJSKIHT-UHFFFAOYSA-N 1 0 327.384 3.083 20 5 EGBDRO CC[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000273113837 456181319 /nfs/dbraw/zinc/18/13/19/456181319.db2.gz GORVMUSNGMPSOF-QGZVFWFLSA-N 1 0 348.424 3.109 20 5 EGBDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000301672428 456182341 /nfs/dbraw/zinc/18/23/41/456182341.db2.gz OXNOKLWIXGFRMM-HNNXBMFYSA-N 1 0 332.448 3.471 20 5 EGBDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000236774434 456182871 /nfs/dbraw/zinc/18/28/71/456182871.db2.gz ICYBTYKBELOPNA-LBPRGKRZSA-N 1 0 347.337 3.059 20 5 EGBDRO CC1([C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3[N+](=O)[O-])C2)OCCO1 ZINC000273155588 456195353 /nfs/dbraw/zinc/19/53/53/456195353.db2.gz YRFHKSDXBUOMCJ-CYBMUJFWSA-N 1 0 340.807 3.223 20 5 EGBDRO CN(CCC[NH+]1CCCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000281397282 456222750 /nfs/dbraw/zinc/22/27/50/456222750.db2.gz QFRQIKZOKAOCIH-UHFFFAOYSA-N 1 0 340.811 3.198 20 5 EGBDRO CC[C@H]1CN([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCCO1 ZINC000281566626 456267143 /nfs/dbraw/zinc/26/71/43/456267143.db2.gz YQPOKKHFIUGZCP-DOMZBBRYSA-N 1 0 346.387 3.207 20 5 EGBDRO Cc1cc(N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000302036786 456273052 /nfs/dbraw/zinc/27/30/52/456273052.db2.gz UZKOEWKIPGMAPO-ZBFHGGJFSA-N 1 0 340.427 3.372 20 5 EGBDRO C[NH+](C)C1(CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CCCCC1 ZINC000342869522 456285113 /nfs/dbraw/zinc/28/51/13/456285113.db2.gz ZMPPDGVGNVKAIS-UHFFFAOYSA-N 1 0 344.415 3.070 20 5 EGBDRO C[NH+](C)C1(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CCC1 ZINC000275706203 456291319 /nfs/dbraw/zinc/29/13/19/456291319.db2.gz BYWSMCMLGAOOMP-UHFFFAOYSA-N 1 0 333.413 3.024 20 5 EGBDRO C[NH+](C)[C@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2OC(F)F)C1 ZINC000302166116 456305335 /nfs/dbraw/zinc/30/53/35/456305335.db2.gz RLWZACGTDLCHDG-MNOVXSKESA-N 1 0 329.347 3.481 20 5 EGBDRO Cc1cc(N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)ncc1[N+](=O)[O-] ZINC000336696956 456307787 /nfs/dbraw/zinc/30/77/87/456307787.db2.gz JDSAJIGENOGJKT-GDBMZVCRSA-N 1 0 326.400 3.373 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(N[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)n1 ZINC000336703974 456308573 /nfs/dbraw/zinc/30/85/73/456308573.db2.gz LSAIKVXXTQFRIF-HOCLYGCPSA-N 1 0 326.400 3.373 20 5 EGBDRO O=[N+]([O-])c1ccc(CNC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(F)c1 ZINC000336791740 456310259 /nfs/dbraw/zinc/31/02/59/456310259.db2.gz OTIRFPBJCDGLDQ-INIZCTEOSA-N 1 0 343.402 3.346 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000352802144 456321693 /nfs/dbraw/zinc/32/16/93/456321693.db2.gz LQOQDLNWOXJGFS-YJBOKZPZSA-N 1 0 347.459 3.441 20 5 EGBDRO C[C@H](Nc1ncc([N+](=O)[O-])s1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000281913218 456358523 /nfs/dbraw/zinc/35/85/23/456358523.db2.gz NNOBBKLHYPDGIA-GXTWGEPZSA-N 1 0 332.429 3.374 20 5 EGBDRO C[C@H](Nc1ncc([N+](=O)[O-])s1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000281913220 456358699 /nfs/dbraw/zinc/35/86/99/456358699.db2.gz NNOBBKLHYPDGIA-JSGCOSHPSA-N 1 0 332.429 3.374 20 5 EGBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCCC[C@H]1C ZINC000343069665 456384810 /nfs/dbraw/zinc/38/48/10/456384810.db2.gz ZCQVFNAHCCVXAG-VXGBXAGGSA-N 1 0 339.823 3.241 20 5 EGBDRO Cc1cc(N2CCC[C@H]3C[N@H+](C)CC[C@H]32)c2cccc([N+](=O)[O-])c2n1 ZINC000302762957 456393879 /nfs/dbraw/zinc/39/38/79/456393879.db2.gz XUAXNMVCRFOCLZ-GOEBONIOSA-N 1 0 340.427 3.372 20 5 EGBDRO Cc1cnn([C@@H]2CCN(c3cc(C)[nH+]c4ccc([N+](=O)[O-])cc43)C2)c1 ZINC000290901525 456463643 /nfs/dbraw/zinc/46/36/43/456463643.db2.gz VDUWMROLVMYUCO-OAHLLOKOSA-N 1 0 337.383 3.408 20 5 EGBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000290927663 456469874 /nfs/dbraw/zinc/46/98/74/456469874.db2.gz NDHPMGAVVLNTKI-NSHDSACASA-N 1 0 327.812 3.098 20 5 EGBDRO COCCOCCC[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290951342 456476850 /nfs/dbraw/zinc/47/68/50/456476850.db2.gz VDHLYGAILJEGAE-UHFFFAOYSA-N 1 0 337.203 3.044 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCC1(C)CC[NH+](C)CC1 ZINC000276468017 456490987 /nfs/dbraw/zinc/49/09/87/456490987.db2.gz XXLATVORGYLEDY-UHFFFAOYSA-N 1 0 334.420 3.065 20 5 EGBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000340500252 456494732 /nfs/dbraw/zinc/49/47/32/456494732.db2.gz QBHXTZYAQONJPX-MBNYWOFBSA-N 1 0 337.445 3.134 20 5 EGBDRO CC[C@@H](CO)[N@H+](Cc1ccccc1)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000348183444 456521832 /nfs/dbraw/zinc/52/18/32/456521832.db2.gz CEPTXXOKSOMWLK-KRWDZBQOSA-N 1 0 344.411 3.377 20 5 EGBDRO CN(C(=O)CC[N@H+](C)CCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000282537249 456545104 /nfs/dbraw/zinc/54/51/04/456545104.db2.gz VSRRKUXSTOWBJU-UHFFFAOYSA-N 1 0 341.411 3.122 20 5 EGBDRO COc1ccc(C[NH2+]Cc2ccc(N(C)C(C)C)nc2)cc1[N+](=O)[O-] ZINC000276955880 456632004 /nfs/dbraw/zinc/63/20/04/456632004.db2.gz KVJJMMNEJQHATF-UHFFFAOYSA-N 1 0 344.415 3.133 20 5 EGBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000324602082 456670573 /nfs/dbraw/zinc/67/05/73/456670573.db2.gz HZPZCMPJGWEKKI-WDEREUQCSA-N 1 0 326.356 3.176 20 5 EGBDRO CCOc1cc(C[NH2+][C@@H]2CCC[C@@H]2OC(F)F)ccc1[N+](=O)[O-] ZINC000348458028 456694925 /nfs/dbraw/zinc/69/49/25/456694925.db2.gz QAPAHHAUWZRDOW-YPMHNXCESA-N 1 0 330.331 3.243 20 5 EGBDRO C[C@H]1CCC[C@@](CNc2ncnc3ccc([N+](=O)[O-])cc32)([NH+](C)C)C1 ZINC000326929329 456702610 /nfs/dbraw/zinc/70/26/10/456702610.db2.gz KDZYTEJEULOSMA-SCLBCKFNSA-N 1 0 343.431 3.460 20 5 EGBDRO COc1cc(C[NH2+]C[C@@H]2C[C@H]2C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000299667379 456759695 /nfs/dbraw/zinc/75/96/95/456759695.db2.gz XQHYPMJSSAPDAQ-ZJUUUORDSA-N 1 0 348.321 3.290 20 5 EGBDRO CC(C)c1ccc(C[N@@H+]2C[C@@H](N3CCOCC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000348556008 456765180 /nfs/dbraw/zinc/76/51/80/456765180.db2.gz OBELJRRWMMFYFF-WBVHZDCISA-N 1 0 347.459 3.013 20 5 EGBDRO C[NH+](C)[C@@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000277497906 456845632 /nfs/dbraw/zinc/84/56/32/456845632.db2.gz NTYLKCXAUNDOSP-CYBMUJFWSA-N 1 0 343.374 3.112 20 5 EGBDRO C[C@@H](O)C[C@@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000339050955 456916967 /nfs/dbraw/zinc/91/69/67/456916967.db2.gz BQAXPZXBQCVDLG-PWSUYJOCSA-N 1 0 332.322 3.349 20 5 EGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCN(C2CC2)C1 ZINC000349249434 456923938 /nfs/dbraw/zinc/92/39/38/456923938.db2.gz VJJMHBGVFHWVNT-KGLIPLIRSA-N 1 0 335.473 3.292 20 5 EGBDRO CCn1nccc1CN(C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000339129852 456953279 /nfs/dbraw/zinc/95/32/79/456953279.db2.gz FKUUUMXRIZVFDR-UHFFFAOYSA-N 1 0 342.321 3.462 20 5 EGBDRO CC[N@@H+]1C[C@@H](C)N(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C[C@@H]1C ZINC000345188914 456960449 /nfs/dbraw/zinc/96/04/49/456960449.db2.gz ITWVOCDUYXYUCG-WDEREUQCSA-N 1 0 329.347 3.115 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(NCc2ccc(C[NH+](C)C)c(F)c2)n1 ZINC000359099877 457053608 /nfs/dbraw/zinc/05/36/08/457053608.db2.gz OUBRSUUVDBAFTD-UHFFFAOYSA-N 1 0 332.379 3.419 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(C(F)F)CC1 ZINC000362737581 457070381 /nfs/dbraw/zinc/07/03/81/457070381.db2.gz YOTNWVZFCCOTGB-UHFFFAOYSA-N 1 0 341.358 3.209 20 5 EGBDRO COCC[N@H+](CCc1ccccc1)Cc1cc([N+](=O)[O-])ccc1OC ZINC000346755066 457152000 /nfs/dbraw/zinc/15/20/00/457152000.db2.gz YDQFHQIYQGZTMC-UHFFFAOYSA-N 1 0 344.411 3.295 20 5 EGBDRO Cc1ccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)c(C[NH+](C)C)c1 ZINC000346781751 457166939 /nfs/dbraw/zinc/16/69/39/457166939.db2.gz SXPTVKFWXHMKGA-UHFFFAOYSA-N 1 0 331.347 3.356 20 5 EGBDRO Cc1c(C(=O)N2CCC[C@H]([NH+]3[C@H](C)CC[C@H]3C)C2)cccc1[N+](=O)[O-] ZINC000347054225 457205869 /nfs/dbraw/zinc/20/58/69/457205869.db2.gz KIESCOYSXOSQLL-FMKPAKJESA-N 1 0 345.443 3.381 20 5 EGBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000347072552 457216149 /nfs/dbraw/zinc/21/61/49/457216149.db2.gz XXTHYOWPUVVNDI-IUODEOHRSA-N 1 0 345.424 3.222 20 5 EGBDRO CC[N@H+](Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1)[C@@H](C)CO ZINC000354434209 457219836 /nfs/dbraw/zinc/21/98/36/457219836.db2.gz PJLYITXEPNWIOH-LBPRGKRZSA-N 1 0 334.372 3.066 20 5 EGBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000360840673 457378491 /nfs/dbraw/zinc/37/84/91/457378491.db2.gz BUOMUPNAYDVTNX-INIZCTEOSA-N 1 0 343.431 3.369 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CCCc3ccsc3)C2)nc1 ZINC000360970526 457477692 /nfs/dbraw/zinc/47/76/92/457477692.db2.gz RIXLCYJFWWKIBC-AWEZNQCLSA-N 1 0 332.429 3.170 20 5 EGBDRO CC[N@H+](C)Cc1cccc(CNc2ccc([N+](=O)[O-])c(N)c2F)c1 ZINC000356169376 457503180 /nfs/dbraw/zinc/50/31/80/457503180.db2.gz ILPAIBPROHOEOP-UHFFFAOYSA-N 1 0 332.379 3.380 20 5 EGBDRO CC[N@@H+](Cc1ccc(Br)cc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000425403662 457535935 /nfs/dbraw/zinc/53/59/35/457535935.db2.gz UWAKNRBTZKNJFI-ZDUSSCGKSA-N 1 0 343.221 3.358 20 5 EGBDRO C[C@@H]1C[C@H](C(C)(C)C)CC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000347607845 457546731 /nfs/dbraw/zinc/54/67/31/457546731.db2.gz WIICCWGKFQYKPP-IUODEOHRSA-N 1 0 333.432 3.340 20 5 EGBDRO CCOc1ccc(NC(=O)C[N@@H+]2[C@H](C)CC[C@H]2CC)c([N+](=O)[O-])c1 ZINC000357526890 457579658 /nfs/dbraw/zinc/57/96/58/457579658.db2.gz GXUSVQGMTXNTCZ-CHWSQXEVSA-N 1 0 335.404 3.195 20 5 EGBDRO COc1cc(C[NH2+]CC(C)(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000352757001 457585741 /nfs/dbraw/zinc/58/57/41/457585741.db2.gz HJKISZIBBJWIIH-UHFFFAOYSA-N 1 0 332.347 3.383 20 5 EGBDRO CCc1cnccc1[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000361134613 457605263 /nfs/dbraw/zinc/60/52/63/457605263.db2.gz HJMXDGGBSGVYHF-OLZOCXBDSA-N 1 0 342.399 3.230 20 5 EGBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000356413461 457613628 /nfs/dbraw/zinc/61/36/28/457613628.db2.gz OFQSKXYXNQXVGD-LBPRGKRZSA-N 1 0 349.456 3.063 20 5 EGBDRO C[C@H]1C[C@H](CCNc2ncc([N+](=O)[O-])s2)C[N@@H+]1Cc1ccccc1 ZINC000409730068 457615653 /nfs/dbraw/zinc/61/56/53/457615653.db2.gz GHIAEGIWPFNSSE-ZFWWWQNUSA-N 1 0 346.456 3.186 20 5 EGBDRO CC[C@@H]1CN(CC[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CCO1 ZINC000433064727 457657653 /nfs/dbraw/zinc/65/76/53/457657653.db2.gz CEZRCZIESHBPPY-QAPCUYQASA-N 1 0 347.459 3.018 20 5 EGBDRO Cc1cc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c2cccc([N+](=O)[O-])c2n1 ZINC000364862796 457708730 /nfs/dbraw/zinc/70/87/30/457708730.db2.gz IJCFSOHRSMPNGE-ZIAGYGMSSA-N 1 0 326.400 3.490 20 5 EGBDRO CC(C)(C)c1ccc2c(c1)C[N@@H+](CCn1cc([N+](=O)[O-])cn1)CC2 ZINC000358074417 457767547 /nfs/dbraw/zinc/76/75/47/457767547.db2.gz GPNKELGKBHMCJN-UHFFFAOYSA-N 1 0 328.416 3.147 20 5 EGBDRO C[C@@H]1CN(C2CC2)C[C@H]1[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433288041 457798762 /nfs/dbraw/zinc/79/87/62/457798762.db2.gz XYULPKKJTRRWMZ-NXOUGTEYSA-N 1 0 329.444 3.390 20 5 EGBDRO C[C@H]([NH2+][C@H]1CCC(=O)NC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000358127475 457802268 /nfs/dbraw/zinc/80/22/68/457802268.db2.gz JVMYLISKVOYORR-RYUDHWBXSA-N 1 0 345.424 3.253 20 5 EGBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000426772463 457898135 /nfs/dbraw/zinc/89/81/35/457898135.db2.gz KAKMOHXSGLSKGA-CQSZACIVSA-N 1 0 335.448 3.370 20 5 EGBDRO CC[C@H]([NH2+]CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C(C)(C)C ZINC000411486621 457901377 /nfs/dbraw/zinc/90/13/77/457901377.db2.gz HSLUOYNEDMCTJK-HNNXBMFYSA-N 1 0 337.420 3.346 20 5 EGBDRO COc1ccc(NC(=O)CC[N@H+](C)[C@H]2CC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000411632283 457933000 /nfs/dbraw/zinc/93/30/00/457933000.db2.gz POVLZERKXYFMLS-OLZOCXBDSA-N 1 0 335.404 3.052 20 5 EGBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@H](CCCO)c3ccccc3)nc2c1 ZINC000444688749 457939144 /nfs/dbraw/zinc/93/91/44/457939144.db2.gz KVAGRFHGJAJLOG-OAHLLOKOSA-N 1 0 340.383 3.075 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2ccc(CN3CC[C@@H]4[NH2+]CC[C@H]4C3)o2)c1 ZINC000427132942 457946144 /nfs/dbraw/zinc/94/61/44/457946144.db2.gz IVBSJFBHQYDPNG-YOEHRIQHSA-N 1 0 327.384 3.039 20 5 EGBDRO CCOc1ccc([C@@H](C)[NH2+]CCNc2cccc(C)n2)cc1[N+](=O)[O-] ZINC000358384292 457968407 /nfs/dbraw/zinc/96/84/07/457968407.db2.gz PZBFTMAOZZTNAH-CQSZACIVSA-N 1 0 344.415 3.460 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H](C(C)C)C1 ZINC000444765321 457968738 /nfs/dbraw/zinc/96/87/38/457968738.db2.gz DPXYWPPSMIGDRS-CQSZACIVSA-N 1 0 349.431 3.300 20 5 EGBDRO COCC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC)C[C@H]1CC=CCC1 ZINC000362239662 458045594 /nfs/dbraw/zinc/04/55/94/458045594.db2.gz UYCIANXUTHMCRV-HNNXBMFYSA-N 1 0 334.416 3.408 20 5 EGBDRO Cc1cccc(C(=O)N2CCC[C@H]([NH+]3[C@@H](C)CC[C@@H]3C)C2)c1[N+](=O)[O-] ZINC000358647885 458128151 /nfs/dbraw/zinc/12/81/51/458128151.db2.gz GRXRJFQGBFXLJW-JYJNAYRXSA-N 1 0 345.443 3.381 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+]C(C)(C)c1ccccc1 ZINC000436097794 458251654 /nfs/dbraw/zinc/25/16/54/458251654.db2.gz INMKDKWVHWGOTK-UHFFFAOYSA-N 1 0 327.384 3.367 20 5 EGBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000429041749 458264695 /nfs/dbraw/zinc/26/46/95/458264695.db2.gz QDPXJYJCKYVGLG-IOASZLSFSA-N 1 0 337.851 3.410 20 5 EGBDRO C[C@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)Cc2ccccc2O1 ZINC000429139278 458279083 /nfs/dbraw/zinc/27/90/83/458279083.db2.gz XIVFRLGGDJMZJW-AWEZNQCLSA-N 1 0 328.368 3.257 20 5 EGBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCCOC2CCCC2)n1 ZINC000447529878 458305901 /nfs/dbraw/zinc/30/59/01/458305901.db2.gz LIVPSSIDGAMJDD-HOTGVXAUSA-N 1 0 336.436 3.214 20 5 EGBDRO CCc1noc(CC)c1C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447578967 458315012 /nfs/dbraw/zinc/31/50/12/458315012.db2.gz IHLUTFKZXZHBLC-GJZGRUSLSA-N 1 0 347.419 3.178 20 5 EGBDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cccc4[nH]ccc43)CC2)n1 ZINC000369685153 458315832 /nfs/dbraw/zinc/31/58/32/458315832.db2.gz ZZWXHDVTJOQSCP-UHFFFAOYSA-N 1 0 325.372 3.110 20 5 EGBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]Cc2ccc3c(c2)COC3)n1 ZINC000447586102 458316625 /nfs/dbraw/zinc/31/66/25/458316625.db2.gz LOOYEKMFOLLYFA-SJORKVTESA-N 1 0 342.399 3.095 20 5 EGBDRO CSc1cc(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)ccn1 ZINC000447586986 458318209 /nfs/dbraw/zinc/31/82/09/458318209.db2.gz PMRVMUXOOIPWAH-KGLIPLIRSA-N 1 0 347.444 3.182 20 5 EGBDRO COC(=O)[C@H]1CC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])[C@H]1C(C)C ZINC000429366906 458323473 /nfs/dbraw/zinc/32/34/73/458323473.db2.gz RZICVFNSMNNWFJ-NHYWBVRUSA-N 1 0 340.807 3.268 20 5 EGBDRO O=[N+]([O-])c1cccc(/C=C\c2nc(-c3ccn4c[nH+]cc4c3)no2)c1 ZINC000447966507 458372263 /nfs/dbraw/zinc/37/22/63/458372263.db2.gz WMPJRNYDQGWVFP-PLNGDYQASA-N 1 0 333.307 3.463 20 5 EGBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000430128993 458406640 /nfs/dbraw/zinc/40/66/40/458406640.db2.gz HZYHPENNDJKTNK-MVVQUZEJSA-N 1 0 329.444 3.270 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](Cc1ccccc1)[C@H](C)CCO ZINC000430211163 458421900 /nfs/dbraw/zinc/42/19/00/458421900.db2.gz HLPBSMUUMTVQKS-OAHLLOKOSA-N 1 0 344.411 3.377 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccc(N(C)C)nc1 ZINC000468628467 458527907 /nfs/dbraw/zinc/52/79/07/458527907.db2.gz QGHIAQFIFALXQS-ZROIWOOFSA-N 1 0 326.400 3.249 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](CO)Cc1ccccc1 ZINC000468627352 458528274 /nfs/dbraw/zinc/52/82/74/458528274.db2.gz FIDOTRHFYIZTOB-OUQXZNHLSA-N 1 0 340.423 3.439 20 5 EGBDRO C[C@@H]1C[C@H](c2cccnc2)[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000373582944 458540745 /nfs/dbraw/zinc/54/07/45/458540745.db2.gz LVYDKMXKUGJKGS-FSPWUOQZSA-N 1 0 327.384 3.106 20 5 EGBDRO Cc1cc(N(C)C[C@@H]2CC[N@H+](C)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461774427 458571945 /nfs/dbraw/zinc/57/19/45/458571945.db2.gz KSTJOCNOSPEJCH-LLVKDONJSA-N 1 0 331.338 3.310 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccccc2CC[NH+](C)C)c1 ZINC000438573062 458601475 /nfs/dbraw/zinc/60/14/75/458601475.db2.gz VVAULHIUXOIRSV-UHFFFAOYSA-N 1 0 327.384 3.260 20 5 EGBDRO CC(C)[N@H+](CCC(=O)N1CCC[C@@H]1C)Cc1ccc([N+](=O)[O-])cc1 ZINC000438834418 458619347 /nfs/dbraw/zinc/61/93/47/458619347.db2.gz SOMGRVOZMLKLJB-HNNXBMFYSA-N 1 0 333.432 3.206 20 5 EGBDRO O=[N+]([O-])c1cccc(CN2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000470994460 458674953 /nfs/dbraw/zinc/67/49/53/458674953.db2.gz MVVDMQICKZHDGJ-KDURUIRLSA-N 1 0 337.423 3.159 20 5 EGBDRO CCc1ccc(C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)cc1[N+](=O)[O-] ZINC000471438373 458694350 /nfs/dbraw/zinc/69/43/50/458694350.db2.gz YONQNQGZGKZXBX-KRWDZBQOSA-N 1 0 345.443 3.152 20 5 EGBDRO CC(C)c1ccc(C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000439412165 458697254 /nfs/dbraw/zinc/69/72/54/458697254.db2.gz PPGWOENTCUPGKD-CQSZACIVSA-N 1 0 333.432 3.180 20 5 EGBDRO CCc1ccc(C(=O)NCC(C)(C)[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000471583903 458700425 /nfs/dbraw/zinc/70/04/25/458700425.db2.gz CLDDXAMHJMCUEO-UHFFFAOYSA-N 1 0 333.432 3.152 20 5 EGBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000547321040 458719663 /nfs/dbraw/zinc/71/96/63/458719663.db2.gz QBDUSDPRXDHNGL-IAGOWNOFSA-N 1 0 347.459 3.010 20 5 EGBDRO C[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000471806875 458734869 /nfs/dbraw/zinc/73/48/69/458734869.db2.gz ZQCIIFQQFOOTFU-SWLSCSKDSA-N 1 0 346.358 3.481 20 5 EGBDRO C[C@H]1C[C@H](O)C[N@@H+]1Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000471806876 458734899 /nfs/dbraw/zinc/73/48/99/458734899.db2.gz ZQCIIFQQFOOTFU-WFASDCNBSA-N 1 0 346.358 3.481 20 5 EGBDRO CCC[C@]1(C)CCC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000464842728 458781884 /nfs/dbraw/zinc/78/18/84/458781884.db2.gz KZSZXNWDWFDDGD-FUHWJXTLSA-N 1 0 336.432 3.237 20 5 EGBDRO Cc1ccc([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)cc1[N+](=O)[O-] ZINC000440262407 458798968 /nfs/dbraw/zinc/79/89/68/458798968.db2.gz WYEYEHPZPAZFKH-YOEHRIQHSA-N 1 0 345.443 3.487 20 5 EGBDRO CC(C)([NH2+]Cc1cc(C(F)(F)F)n[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000440615971 458833691 /nfs/dbraw/zinc/83/36/91/458833691.db2.gz INALQADIFKPBIM-UHFFFAOYSA-N 1 0 328.294 3.362 20 5 EGBDRO CC[C@@H](O)C[N@H+](CCOc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000441083444 458886271 /nfs/dbraw/zinc/88/62/71/458886271.db2.gz DVPMCMUXZVGFCV-QGZVFWFLSA-N 1 0 344.411 3.247 20 5 EGBDRO C[N@H+](CCCCNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)C1CC1 ZINC000457211357 458898876 /nfs/dbraw/zinc/89/88/76/458898876.db2.gz WCKOCNHEJFBMCQ-UHFFFAOYSA-N 1 0 347.459 3.497 20 5 EGBDRO COc1ccc(OCC[N@@H+]2Cc3ccccc3C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000441479579 458951175 /nfs/dbraw/zinc/95/11/75/458951175.db2.gz QPXAQZUUJGQLKZ-AWEZNQCLSA-N 1 0 342.395 3.429 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000519680130 458985123 /nfs/dbraw/zinc/98/51/23/458985123.db2.gz XDZDLXFKSXLQOX-INIZCTEOSA-N 1 0 334.416 3.242 20 5 EGBDRO O=[N+]([O-])c1ccn(CCS[C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000567110600 459048936 /nfs/dbraw/zinc/04/89/36/459048936.db2.gz OEDRWJNDRVTMOD-MRXNPFEDSA-N 1 0 346.456 3.189 20 5 EGBDRO COc1nc(C)cc(C)c1C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594495288 459061023 /nfs/dbraw/zinc/06/10/23/459061023.db2.gz POFMAKPDMBZHAX-INIZCTEOSA-N 1 0 327.384 3.392 20 5 EGBDRO C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)N1CCCC[C@H]1C ZINC000520499957 459064841 /nfs/dbraw/zinc/06/48/41/459064841.db2.gz UAUICFHBATYIID-VQHPVUNQSA-N 1 0 349.479 3.128 20 5 EGBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](CC3CC3)CC2)c(OC(F)F)c1 ZINC000577667855 459069665 /nfs/dbraw/zinc/06/96/65/459069665.db2.gz LBXGBJPKRRAJDT-UHFFFAOYSA-N 1 0 341.358 3.483 20 5 EGBDRO O=C1Nc2ccccc2CC[C@H]1[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594514420 459073240 /nfs/dbraw/zinc/07/32/40/459073240.db2.gz XLAVNGGWQHSICD-DLBZAZTESA-N 1 0 337.379 3.125 20 5 EGBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000532698776 459131158 /nfs/dbraw/zinc/13/11/58/459131158.db2.gz JWGRDQQTIZYUQL-GPMSIDNRSA-N 1 0 331.460 3.475 20 5 EGBDRO C[C@@H]1CC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@@H]2CCCC[C@H]12 ZINC000532918045 459160177 /nfs/dbraw/zinc/16/01/77/459160177.db2.gz VLPLMOOLWRCACS-ZTFGCOKTSA-N 1 0 345.443 3.458 20 5 EGBDRO CC[C@H](C)[C@@H](C)[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CC1 ZINC000532963209 459166675 /nfs/dbraw/zinc/16/66/75/459166675.db2.gz VTSLOFAXYNMRGL-UONOGXRCSA-N 1 0 345.443 3.383 20 5 EGBDRO CCc1nn(C)cc1C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000590659607 459173909 /nfs/dbraw/zinc/17/39/09/459173909.db2.gz WOZAVLSYDHVPEY-HNNXBMFYSA-N 1 0 328.416 3.270 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]Cc1ccnn1CC1CC1 ZINC000594944739 459188129 /nfs/dbraw/zinc/18/81/29/459188129.db2.gz VUSMRRMHUFYGGX-UHFFFAOYSA-N 1 0 334.807 3.187 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000480266945 459191168 /nfs/dbraw/zinc/19/11/68/459191168.db2.gz QXKWDDYTEOGDAD-JYJNAYRXSA-N 1 0 349.475 3.442 20 5 EGBDRO C[N@H+](CCC(=O)NCC1CCCCC1)CCc1cccc([N+](=O)[O-])c1 ZINC000558742206 459205904 /nfs/dbraw/zinc/20/59/04/459205904.db2.gz XPVJPSNSVXSMGL-UHFFFAOYSA-N 1 0 347.459 3.156 20 5 EGBDRO CCCN1CC[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000594991849 459206030 /nfs/dbraw/zinc/20/60/30/459206030.db2.gz LHRAMHHSKIEXLT-HNNXBMFYSA-N 1 0 329.400 3.429 20 5 EGBDRO COc1cccc2c1CN(Cc1nc3cc([N+](=O)[O-])ccc3o1)CC2 ZINC000590759813 459208260 /nfs/dbraw/zinc/20/82/60/459208260.db2.gz QGBSHYDPNMCMSM-UHFFFAOYSA-N 1 0 339.351 3.303 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H]1COc2ccccc2C1 ZINC000595017429 459216348 /nfs/dbraw/zinc/21/63/48/459216348.db2.gz VHTVHUDCWYGLLR-TZMCWYRMSA-N 1 0 328.368 3.258 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC1([C@@H](C)CCO)CCC1 ZINC000595029266 459222023 /nfs/dbraw/zinc/22/20/23/459222023.db2.gz YFKFJZVFOFHRLD-UONOGXRCSA-N 1 0 336.432 3.443 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CCCN2CCCC[C@H]12 ZINC000595047770 459227650 /nfs/dbraw/zinc/22/76/50/459227650.db2.gz SWKNPXAXUNBJMK-RRQGHBQHSA-N 1 0 333.432 3.271 20 5 EGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1c(C2CC2)cnn1C ZINC000595075416 459238396 /nfs/dbraw/zinc/23/83/96/459238396.db2.gz BIDVAXWEDPERFT-CYBMUJFWSA-N 1 0 328.416 3.317 20 5 EGBDRO Cc1ccc(NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)cc1[N+](=O)[O-] ZINC000522608278 459250535 /nfs/dbraw/zinc/25/05/35/459250535.db2.gz SUCXMYNIMIDNHV-HNNXBMFYSA-N 1 0 336.436 3.391 20 5 EGBDRO C[C@H](NC(=O)C[C@H]1[NH2+]Cc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000595250467 459262391 /nfs/dbraw/zinc/26/23/91/459262391.db2.gz STKVBPXPOPLXKY-YVEFUNNKSA-N 1 0 325.368 3.007 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[NH+]2CCC(Nc3ccccn3)CC2)cc1 ZINC000534127655 459292959 /nfs/dbraw/zinc/29/29/59/459292959.db2.gz CYQLPVAXZISAOT-UHFFFAOYSA-N 1 0 326.400 3.109 20 5 EGBDRO Cc1noc(CN[C@H](C[NH+]2CCCCC2)c2ccccc2)c1[N+](=O)[O-] ZINC000595424858 459296379 /nfs/dbraw/zinc/29/63/79/459296379.db2.gz HYJLBIUPWYNIIH-MRXNPFEDSA-N 1 0 344.415 3.208 20 5 EGBDRO O=C(c1csc([N+](=O)[O-])c1)N(CC[NH+]1CCCC1)c1ccccc1 ZINC000523544194 459313262 /nfs/dbraw/zinc/31/32/62/459313262.db2.gz TXLFYWZYCMUOMX-UHFFFAOYSA-N 1 0 345.424 3.399 20 5 EGBDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000595482644 459319627 /nfs/dbraw/zinc/31/96/27/459319627.db2.gz SYTBDKWRTKFIHY-CABCVRRESA-N 1 0 348.447 3.075 20 5 EGBDRO O=[N+]([O-])c1cnc(N2CCC(C[NH+]3CCCCCC3)CC2)c(F)c1 ZINC000591139812 459320592 /nfs/dbraw/zinc/32/05/92/459320592.db2.gz KQZWTFDDMHKGMY-UHFFFAOYSA-N 1 0 336.411 3.221 20 5 EGBDRO CCOC1CC([N@H+](C)Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000582208942 459325854 /nfs/dbraw/zinc/32/58/54/459325854.db2.gz UCMBLPRMVZJYAH-UHFFFAOYSA-N 1 0 330.331 3.196 20 5 EGBDRO C[C@@H]1CC[N@H+](CCN[C@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)C1 ZINC000582246045 459333497 /nfs/dbraw/zinc/33/34/97/459333497.db2.gz JNTVFVIDLYLZKA-BXUZGUMPSA-N 1 0 331.338 3.130 20 5 EGBDRO COc1ccc([C@H](CO)C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000591245111 459340588 /nfs/dbraw/zinc/34/05/88/459340588.db2.gz KAXBNLPTCFYRDJ-HOCLYGCPSA-N 1 0 344.411 3.339 20 5 EGBDRO COC1(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)CCCCC1 ZINC000483270468 459355207 /nfs/dbraw/zinc/35/52/07/459355207.db2.gz URDYJHJQGSSGND-UHFFFAOYSA-N 1 0 333.432 3.066 20 5 EGBDRO C[C@H](CO)[C@H]1CCCC[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000595679410 459393566 /nfs/dbraw/zinc/39/35/66/459393566.db2.gz VZCNJOCLRXOXSD-CXAGYDPISA-N 1 0 345.399 3.233 20 5 EGBDRO COC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)c1cccc(OC)c1 ZINC000595684297 459396261 /nfs/dbraw/zinc/39/62/61/459396261.db2.gz NXZCILLMPVJDNP-QGZVFWFLSA-N 1 0 330.384 3.389 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](N[C@@H]2CCC[NH2+]CC2)c2ccccc2)c1 ZINC000591578268 459406128 /nfs/dbraw/zinc/40/61/28/459406128.db2.gz JCGZNGJXYMQISE-MJGOQNOKSA-N 1 0 325.412 3.416 20 5 EGBDRO C[C@H](C(=O)NCCC[N@H+](C)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000569181861 459408448 /nfs/dbraw/zinc/40/84/48/459408448.db2.gz WKLUSDLWUMQTND-HNNXBMFYSA-N 1 0 347.459 3.469 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](NCCC[NH+]2CCCC2)C(F)(F)F)cc1 ZINC000582729912 459418505 /nfs/dbraw/zinc/41/85/05/459418505.db2.gz OPPVPIJWDUZGRC-CQSZACIVSA-N 1 0 331.338 3.274 20 5 EGBDRO CN(C(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1)[C@@H]1CC[NH2+]C1 ZINC000591681131 459421580 /nfs/dbraw/zinc/42/15/80/459421580.db2.gz SVYAONDBSHHZHO-CYBMUJFWSA-N 1 0 349.456 3.063 20 5 EGBDRO C[NH2+][C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)C1 ZINC000591680941 459421685 /nfs/dbraw/zinc/42/16/85/459421685.db2.gz ILKAZCVGUNORHG-GFCCVEGCSA-N 1 0 349.456 3.063 20 5 EGBDRO CC(C)OC1CCC([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000591757067 459429456 /nfs/dbraw/zinc/42/94/56/459429456.db2.gz WNYOQUTVMNDDSB-UHFFFAOYSA-N 1 0 349.431 3.249 20 5 EGBDRO COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000541120140 459429824 /nfs/dbraw/zinc/42/98/24/459429824.db2.gz NILYQVHHRBYJTN-XJKSGUPXSA-N 1 0 340.807 3.460 20 5 EGBDRO C[C@H](C[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000541350424 459448608 /nfs/dbraw/zinc/44/86/08/459448608.db2.gz ZEIPSQLNEPAPOO-WBVHZDCISA-N 1 0 344.411 3.070 20 5 EGBDRO CC[C@H](C)[C@@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000541347853 459448665 /nfs/dbraw/zinc/44/86/65/459448665.db2.gz TWRZJTYYWQACEN-XHSDSOJGSA-N 1 0 336.432 3.235 20 5 EGBDRO CCc1ccc([C@@H]([NH2+]C[C@H](C)CCO)c2ccc([N+](=O)[O-])cc2)o1 ZINC000541543432 459464389 /nfs/dbraw/zinc/46/43/89/459464389.db2.gz MRKCMTAAZPSZFB-ACJLOTCBSA-N 1 0 332.400 3.448 20 5 EGBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000561814295 459485462 /nfs/dbraw/zinc/48/54/62/459485462.db2.gz ZKDXSMNNHHIGIG-AWEZNQCLSA-N 1 0 336.436 3.454 20 5 EGBDRO Cc1ccc([C@@H](C)NC(=O)c2cccc3c2CC[NH2+]C3)cc1[N+](=O)[O-] ZINC000595940518 459488310 /nfs/dbraw/zinc/48/83/10/459488310.db2.gz FRBLGKULTUVSBK-CYBMUJFWSA-N 1 0 339.395 3.040 20 5 EGBDRO CC(C)[C@@H](CNc1ccc([N+](=O)[O-])c(C(N)=O)c1)[NH+]1CCCCCC1 ZINC000596068920 459507568 /nfs/dbraw/zinc/50/75/68/459507568.db2.gz ASFWNEDLMUXHHW-QGZVFWFLSA-N 1 0 348.447 3.006 20 5 EGBDRO CCC(CC)[C@H](CNc1ccc([N+](=O)[O-])c(C(N)=O)c1)[NH+]1CCCC1 ZINC000596070494 459508803 /nfs/dbraw/zinc/50/88/03/459508803.db2.gz PNVBQCJQIAWFIQ-KRWDZBQOSA-N 1 0 348.447 3.006 20 5 EGBDRO CCC(CC)(CC(=O)OC)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000541999006 459519282 /nfs/dbraw/zinc/51/92/82/459519282.db2.gz MIDLIMVSTTUSKJ-UHFFFAOYSA-N 1 0 328.796 3.460 20 5 EGBDRO O=c1[nH]ccc(NC[C@H]2CCC[N@H+](Cc3cccs3)C2)c1[N+](=O)[O-] ZINC000596100975 459521171 /nfs/dbraw/zinc/52/11/71/459521171.db2.gz FXBGFDXGIOVHNG-GFCCVEGCSA-N 1 0 348.428 3.081 20 5 EGBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000583442016 459538475 /nfs/dbraw/zinc/53/84/75/459538475.db2.gz PEUDKOCTVMPMJP-QWHCGFSZSA-N 1 0 343.383 3.243 20 5 EGBDRO C[C@@H]1C[C@@H]1c1ccc(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])o1 ZINC000583494953 459548566 /nfs/dbraw/zinc/54/85/66/459548566.db2.gz LLIQILKOJRASQL-OCCSQVGLSA-N 1 0 343.383 3.430 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCc3cnccn3)s2)cc1 ZINC000526994538 459573898 /nfs/dbraw/zinc/57/38/98/459573898.db2.gz PDUWXVUPONSMFS-UHFFFAOYSA-N 1 0 340.408 3.446 20 5 EGBDRO Cc1nc(N2CCC3(CCC([NH+](C)C)CC3)CC2)ccc1[N+](=O)[O-] ZINC000596255210 459575514 /nfs/dbraw/zinc/57/55/14/459575514.db2.gz MFHNFFGVEJADNG-UHFFFAOYSA-N 1 0 332.448 3.389 20 5 EGBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCC2(CCC([NH+](C)C)CC2)CC1 ZINC000596256056 459576982 /nfs/dbraw/zinc/57/69/82/459576982.db2.gz XKAQGMWMAYWLOF-UHFFFAOYSA-N 1 0 349.479 3.210 20 5 EGBDRO CC(C)[N@@H+]1CCCC[C@H]1Cn1ccc2ccc([N+](=O)[O-])cc2c1=O ZINC000596299750 459589122 /nfs/dbraw/zinc/58/91/22/459589122.db2.gz NTBVNBKGMNEPLJ-INIZCTEOSA-N 1 0 329.400 3.173 20 5 EGBDRO Cc1nc(NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)ncc1[N+](=O)[O-] ZINC000562692321 459624321 /nfs/dbraw/zinc/62/43/21/459624321.db2.gz YJDQQIVPKHBFPW-CQSZACIVSA-N 1 0 335.795 3.061 20 5 EGBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000596470142 459647987 /nfs/dbraw/zinc/64/79/87/459647987.db2.gz IFXYYTLCNLGLNY-CQSZACIVSA-N 1 0 332.404 3.123 20 5 EGBDRO O=[N+]([O-])c1ccc2nc(NCC3CC[NH+](CC4CC4)CC3)ccc2c1 ZINC000596563904 459678281 /nfs/dbraw/zinc/67/82/81/459678281.db2.gz WIKZOIBCJNTGCM-UHFFFAOYSA-N 1 0 340.427 3.099 20 5 EGBDRO CC[C@@H]1CCCC[N@@H+]1CCNc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000500404859 459678509 /nfs/dbraw/zinc/67/85/09/459678509.db2.gz FYEKJHYVOGCNQC-OAHLLOKOSA-N 1 0 328.416 3.241 20 5 EGBDRO CCCN(C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C)C1 ZINC000592833285 459701638 /nfs/dbraw/zinc/70/16/38/459701638.db2.gz YDHWQKGGJSACTG-OAHLLOKOSA-N 1 0 347.459 3.449 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000563069267 459710502 /nfs/dbraw/zinc/71/05/02/459710502.db2.gz VJCOLEDTYGBYRH-BBRMVZONSA-N 1 0 347.415 3.197 20 5 EGBDRO C[C@@H](NC(=O)Nc1cccc2c1CC[NH2+]C2)c1cccc([N+](=O)[O-])c1 ZINC000574503061 459827157 /nfs/dbraw/zinc/82/71/57/459827157.db2.gz UITVBDIXWYHYFY-GFCCVEGCSA-N 1 0 340.383 3.123 20 5 EGBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000575184680 459943495 /nfs/dbraw/zinc/94/34/95/459943495.db2.gz ZXSKTPHSLXSUPU-AWEZNQCLSA-N 1 0 347.459 3.061 20 5 EGBDRO Cc1ccc(C[NH2+]C(C)(C)C(=O)Nc2ccccc2)cc1[N+](=O)[O-] ZINC000609393114 459958751 /nfs/dbraw/zinc/95/87/51/459958751.db2.gz YHDAHHZGDLWPEC-UHFFFAOYSA-N 1 0 327.384 3.410 20 5 EGBDRO C[C@H]1CCCC[N@@H+]1CCCNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602504052 459972189 /nfs/dbraw/zinc/97/21/89/459972189.db2.gz RKNDLHLJRQKUTD-ZDUSSCGKSA-N 1 0 332.404 3.090 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2ccc(N3CCCCC3)nc2)cc1 ZINC000602514615 459979125 /nfs/dbraw/zinc/97/91/25/459979125.db2.gz OJVCVBVBOAHDPU-UHFFFAOYSA-N 1 0 340.427 3.312 20 5 EGBDRO C[NH+]1CCC(N(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)CC1 ZINC000609566929 459984017 /nfs/dbraw/zinc/98/40/17/459984017.db2.gz YFNRZIREAHRHHF-UHFFFAOYSA-N 1 0 339.395 3.336 20 5 EGBDRO COC[C@@H]([NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)C(C)C ZINC000602549284 459991672 /nfs/dbraw/zinc/99/16/72/459991672.db2.gz ZYCWCYXCAJFQOD-SNVBAGLBSA-N 1 0 337.239 3.179 20 5 EGBDRO Cc1cc(NC[C@H]2COc3ccccc32)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000588861181 459994200 /nfs/dbraw/zinc/99/42/00/459994200.db2.gz PBZDVSNZLRZDQX-ZDUSSCGKSA-N 1 0 335.363 3.461 20 5 EGBDRO O=[N+]([O-])c1ccc2oc(CNC3CC[NH+](C4CCCC4)CC3)nc2c1 ZINC000602564722 459999541 /nfs/dbraw/zinc/99/95/41/459999541.db2.gz CGAOMYQXQXCKKH-UHFFFAOYSA-N 1 0 344.415 3.233 20 5 EGBDRO CC1(C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CCOCC1 ZINC000602563785 459999614 /nfs/dbraw/zinc/99/96/14/459999614.db2.gz NVXCHSAVSSEHGG-UHFFFAOYSA-N 1 0 349.250 3.325 20 5 EGBDRO CC(C)C[C@H]1C[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CCO1 ZINC000602585426 460010643 /nfs/dbraw/zinc/01/06/43/460010643.db2.gz QSUWTCLACIGJEB-OCCSQVGLSA-N 1 0 333.388 3.419 20 5 EGBDRO CO[C@@H]1CCC[C@@H]1C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602584220 460010902 /nfs/dbraw/zinc/01/09/02/460010902.db2.gz YIJAXFGMRJTIPM-LDYMZIIASA-N 1 0 349.250 3.324 20 5 EGBDRO C[NH+](C)C1(CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CCCCC1 ZINC000609853286 460029099 /nfs/dbraw/zinc/02/90/99/460029099.db2.gz KKIATKWZEACEJC-UHFFFAOYSA-N 1 0 339.823 3.243 20 5 EGBDRO CC[N@H+](C)C[C@@H]1CCN(c2ccc(C(F)(F)F)c([N+](=O)[O-])c2)C1 ZINC000589112040 460033006 /nfs/dbraw/zinc/03/30/06/460033006.db2.gz RDQQCMGGPFIMAX-NSHDSACASA-N 1 0 331.338 3.392 20 5 EGBDRO CC(C)c1ccc(C(=O)N2CCC[C@@]3(CC[N@H+](C)C3)C2)cc1[N+](=O)[O-] ZINC000597709792 460035046 /nfs/dbraw/zinc/03/50/46/460035046.db2.gz CGRDKFDLRAPQHE-IBGZPJMESA-N 1 0 345.443 3.276 20 5 EGBDRO Cc1ccc(CN(CC[NH+](C)C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000589190870 460049784 /nfs/dbraw/zinc/04/97/84/460049784.db2.gz LLBJGQWDYQUAMW-UHFFFAOYSA-N 1 0 327.428 3.467 20 5 EGBDRO CC1(C)CCC[C@H]1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602677110 460059265 /nfs/dbraw/zinc/05/92/65/460059265.db2.gz SXNNQWXVWJAJEH-AWEZNQCLSA-N 1 0 332.448 3.375 20 5 EGBDRO C[C@H]1CCC[C@@]1(O)C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602677599 460059930 /nfs/dbraw/zinc/05/99/30/460059930.db2.gz XDYFDZLRETXRIN-IINYFYTJSA-N 1 0 332.322 3.254 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCc1ccc(CO)cc1)CCC2 ZINC000618572132 460067735 /nfs/dbraw/zinc/06/77/35/460067735.db2.gz FRQHVVQXBVQEOL-LJQANCHMSA-N 1 0 326.396 3.297 20 5 EGBDRO CN(c1ccccc1)c1ccc(CNCc2ncc[nH]2)cc1[N+](=O)[O-] ZINC000610150954 460072740 /nfs/dbraw/zinc/07/27/40/460072740.db2.gz UBCKTIJUHHNCQY-UHFFFAOYSA-N 1 0 337.383 3.376 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CC[C@@H](OCc2ccccn2)C1 ZINC000602715010 460081437 /nfs/dbraw/zinc/08/14/37/460081437.db2.gz LHDJAECWJGGQLP-SUQGKYDKSA-N 1 0 339.395 3.294 20 5 EGBDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000598913534 460092038 /nfs/dbraw/zinc/09/20/38/460092038.db2.gz KQWGRIQCEZVINL-GFCCVEGCSA-N 1 0 328.800 3.085 20 5 EGBDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000610281730 460106280 /nfs/dbraw/zinc/10/62/80/460106280.db2.gz CITMQWMKTVWBBU-CQSZACIVSA-N 1 0 346.818 3.354 20 5 EGBDRO COc1cc(N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000610281833 460107719 /nfs/dbraw/zinc/10/77/19/460107719.db2.gz QBORIDKSPZCYRO-QGZVFWFLSA-N 1 0 341.411 3.314 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H]1Cc1ccccc1C ZINC000602782965 460122718 /nfs/dbraw/zinc/12/27/18/460122718.db2.gz CUSNDGNBCRMDBN-KRWDZBQOSA-N 1 0 328.416 3.115 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(=Cc2ccccc2F)CC1 ZINC000602787917 460125902 /nfs/dbraw/zinc/12/59/02/460125902.db2.gz LYGDSNJUBKKNJA-UHFFFAOYSA-N 1 0 344.390 3.418 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](Cc1ccc(F)cc1)C(C)C ZINC000602802272 460135094 /nfs/dbraw/zinc/13/50/94/460135094.db2.gz PVXNBXDCONWUHJ-MRXNPFEDSA-N 1 0 334.395 3.096 20 5 EGBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@H](C)[NH+](C)C ZINC000597992392 460139574 /nfs/dbraw/zinc/13/95/74/460139574.db2.gz JTAFWFMFUDMTKF-LBPRGKRZSA-N 1 0 339.461 3.167 20 5 EGBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCC[C@H]2CCC[C@H]21 ZINC000610392400 460141047 /nfs/dbraw/zinc/14/10/47/460141047.db2.gz HOHZJRCZFWCFMG-UKRRQHHQSA-N 1 0 345.399 3.157 20 5 EGBDRO CSc1cccc(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000594197469 460145993 /nfs/dbraw/zinc/14/59/93/460145993.db2.gz OJZHCFFCHMSDMX-UONOGXRCSA-N 1 0 349.456 3.063 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1Cc2ccccc2NC1=O ZINC000599075104 460154297 /nfs/dbraw/zinc/15/42/97/460154297.db2.gz SXKIYPIFJLSPTF-YVEFUNNKSA-N 1 0 325.368 3.117 20 5 EGBDRO CC(C)C[N@@H+](CCc1ccc(F)cc1)CCn1cc([N+](=O)[O-])cn1 ZINC000610447555 460154401 /nfs/dbraw/zinc/15/44/01/460154401.db2.gz UHCMBTAIHILSIR-UHFFFAOYSA-N 1 0 334.395 3.131 20 5 EGBDRO C[N@H+](CCc1ccc2c(c1)CCO2)CCc1cccc([N+](=O)[O-])c1 ZINC000576600947 460177622 /nfs/dbraw/zinc/17/76/22/460177622.db2.gz PYFBDNBENLTWGE-UHFFFAOYSA-N 1 0 326.396 3.247 20 5 EGBDRO C[C@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000602958790 460201226 /nfs/dbraw/zinc/20/12/26/460201226.db2.gz HVCJOTAGGRRDKX-CZUORRHYSA-N 1 0 334.420 3.179 20 5 EGBDRO O=[N+]([O-])c1cccc(C[N@H+](C[C@@H]2COc3ccccc3O2)C2CC2)c1 ZINC000610864873 460251578 /nfs/dbraw/zinc/25/15/78/460251578.db2.gz SASCFMLHADAIHL-QGZVFWFLSA-N 1 0 340.379 3.399 20 5 EGBDRO CC[N@H+](CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])Cc1ccoc1 ZINC000610944026 460264514 /nfs/dbraw/zinc/26/45/14/460264514.db2.gz XEPBIDWNBWZOPK-UHFFFAOYSA-N 1 0 347.371 3.047 20 5 EGBDRO C[C@@H]1C[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1(F)F ZINC000599514139 460265482 /nfs/dbraw/zinc/26/54/82/460265482.db2.gz UQUDYFPYSDXNQW-VXGBXAGGSA-N 1 0 341.358 3.147 20 5 EGBDRO CC[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C[C@@H]1C ZINC000611182405 460303606 /nfs/dbraw/zinc/30/36/06/460303606.db2.gz ABHQHFYUGNQUKR-AWEZNQCLSA-N 1 0 326.400 3.187 20 5 EGBDRO CC[N@H+](C[C@@H]1CCOC1)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000611204925 460307975 /nfs/dbraw/zinc/30/79/75/460307975.db2.gz AXXNXFBCELXFQL-OLZOCXBDSA-N 1 0 346.387 3.064 20 5 EGBDRO C[C@@H]1CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@H]2CCCC[C@@H]12 ZINC000603632979 460329491 /nfs/dbraw/zinc/32/94/91/460329491.db2.gz XBJRJSZLOGDGJJ-XIVBQZFQSA-N 1 0 348.443 3.235 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1ccc([S@](C)=O)cc1 ZINC000611336466 460338771 /nfs/dbraw/zinc/33/87/71/460338771.db2.gz PMNRVSJVKMXSQY-NPMABZOXSA-N 1 0 332.425 3.491 20 5 EGBDRO Cc1nccc([C@H]2CCC[N@H+](Cc3cccc([N+](=O)[O-])c3C)C2)n1 ZINC000603834359 460344888 /nfs/dbraw/zinc/34/48/88/460344888.db2.gz SATYLJLHLCYJHK-INIZCTEOSA-N 1 0 326.400 3.381 20 5 EGBDRO COc1cc(N2CCC[C@H]([NH+]3[C@H](C)CC[C@H]3C)C2)ccc1[N+](=O)[O-] ZINC000611370329 460346610 /nfs/dbraw/zinc/34/66/10/460346610.db2.gz CCGZOIZECGOHGZ-FMKPAKJESA-N 1 0 333.432 3.445 20 5 EGBDRO CCOC(=O)CC[N@H+](C/C(C)=C\c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000615836077 460403550 /nfs/dbraw/zinc/40/35/50/460403550.db2.gz OPUZKRUMTGBPAR-KAMYIIQDSA-N 1 0 332.400 3.416 20 5 EGBDRO CC1(C)CC(Nc2ncnc3ccc([N+](=O)[O-])cc32)CC(C)(C)[NH2+]1 ZINC000611702732 460432639 /nfs/dbraw/zinc/43/26/39/460432639.db2.gz QTARVDDJRMJSNU-UHFFFAOYSA-N 1 0 329.404 3.259 20 5 EGBDRO C[C@@H]1C[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)[C@@H]2CCCC[C@@H]21 ZINC000611983687 460500517 /nfs/dbraw/zinc/50/05/17/460500517.db2.gz AGWNVXIWHRTSRW-BPLDGKMQSA-N 1 0 332.400 3.377 20 5 EGBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]Cc2cccc(F)c2F)n1 ZINC000601302094 460781759 /nfs/dbraw/zinc/78/17/59/460781759.db2.gz GCWICUDBXMWARZ-KBPBESRZSA-N 1 0 336.342 3.343 20 5 EGBDRO C[C@H]([NH2+][C@@H]1COCC[C@H]1O)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000601303377 460782352 /nfs/dbraw/zinc/78/23/52/460782352.db2.gz CAGDWSILIIYREE-NJZAAPMLSA-N 1 0 348.424 3.124 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000601564237 460834379 /nfs/dbraw/zinc/83/43/79/460834379.db2.gz JEWFVAMCRZTSGO-ZDUSSCGKSA-N 1 0 334.420 3.111 20 5 EGBDRO COc1cc(C[NH+](C)C)ccc1NC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000601620751 460848995 /nfs/dbraw/zinc/84/89/95/460848995.db2.gz KLFMYGHIFTZWGB-UHFFFAOYSA-N 1 0 343.383 3.226 20 5 EGBDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000617715341 460960378 /nfs/dbraw/zinc/96/03/78/460960378.db2.gz FUZFPXXMSGWRQI-CRAIPNDOSA-N 1 0 347.459 3.469 20 5 EGBDRO Cc1nc2c(s1)[C@@H]([N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1)CCC2 ZINC000154536952 534634139 /nfs/dbraw/zinc/63/41/39/534634139.db2.gz QYSYWMRKZZADGF-HOTGVXAUSA-N 1 0 347.440 3.403 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@H](O)c1cccc(F)c1)C1CC1 ZINC000157593952 534887505 /nfs/dbraw/zinc/88/75/05/534887505.db2.gz HKNGPWFRKZQCRV-HKUYNNGSSA-N 1 0 344.386 3.378 20 5 EGBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000174132563 528255885 /nfs/dbraw/zinc/25/58/85/528255885.db2.gz GQLRCUVDSIXROU-CQSZACIVSA-N 1 0 347.440 3.366 20 5 EGBDRO CC(C)[NH+](CCN(C)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)C(C)C ZINC000356851528 535061126 /nfs/dbraw/zinc/06/11/26/535061126.db2.gz PLXFXRCAOPUQEB-UHFFFAOYSA-N 1 0 346.431 3.267 20 5 EGBDRO CC(C)[C@@H](CCO)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000266124353 535182771 /nfs/dbraw/zinc/18/27/71/535182771.db2.gz BCHOFUMSQHRMOL-OAHLLOKOSA-N 1 0 335.429 3.215 20 5 EGBDRO CC[C@@H](C)[C@@H]1CCCC[N@@H+]1Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000738059186 574598490 /nfs/dbraw/zinc/59/84/90/574598490.db2.gz WTUUZZWYXCJRFW-OCCSQVGLSA-N 1 0 333.388 3.361 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]Cc2ccccc2N2CCCC2)cc1 ZINC000731678169 575199258 /nfs/dbraw/zinc/19/92/58/575199258.db2.gz HNMQRXQFIVFNIQ-LJQANCHMSA-N 1 0 341.411 3.018 20 5 EGBDRO CC[NH+](CC)[C@H](CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)CC(C)C ZINC000733156149 575311682 /nfs/dbraw/zinc/31/16/82/575311682.db2.gz BFQZWXADYRXYBW-PEKVBPLLSA-N 1 0 347.459 3.481 20 5 EGBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H](CO)C2CC2)ccc1Oc1ccc(F)cc1 ZINC000734160438 575449691 /nfs/dbraw/zinc/44/96/91/575449691.db2.gz AEFGGNCDFCUPDJ-INIZCTEOSA-N 1 0 346.358 3.387 20 5 EGBDRO O=C(C[NH+](CC1CC1)CC1CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000734487158 575493483 /nfs/dbraw/zinc/49/34/83/575493483.db2.gz GFNFLWIKKVNAOG-UHFFFAOYSA-N 1 0 337.807 3.309 20 5 EGBDRO CC[N@@H+]1CC[C@@H](N(C)C(=S)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000740631652 576609157 /nfs/dbraw/zinc/60/91/57/576609157.db2.gz FDFCDRMQBLXFIB-SWLSCSKDSA-N 1 0 336.461 3.096 20 5 EGBDRO CCO[C@H]1C[C@@H]([N@H+](C)Cn2ncc3cc([N+](=O)[O-])ccc32)C1(C)C ZINC000740862961 576631406 /nfs/dbraw/zinc/63/14/06/576631406.db2.gz IYHSDEUREJRFLJ-CVEARBPZSA-N 1 0 332.404 3.037 20 5 EGBDRO C[C@@H]1CCC[C@H](C)C[N@H+]1Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000742156026 576752833 /nfs/dbraw/zinc/75/28/33/576752833.db2.gz VPKICQNWBRXCMA-UONOGXRCSA-N 1 0 329.404 3.321 20 5 EGBDRO C[C@@H]1CCC[N@@H+]1CCNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000742387697 576777889 /nfs/dbraw/zinc/77/78/89/576777889.db2.gz UKBRYGYJPUFFMC-CYBMUJFWSA-N 1 0 346.456 3.292 20 5 EGBDRO C[NH+](C)CC1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000742393947 576778934 /nfs/dbraw/zinc/77/89/34/576778934.db2.gz WBTDHLFDQGAILT-UHFFFAOYSA-N 1 0 331.338 3.392 20 5 EGBDRO CC[N@H+](Cn1nccc1[N+](=O)[O-])[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000743399865 576808466 /nfs/dbraw/zinc/80/84/66/576808466.db2.gz OEXWBQOBMAWEMS-INIZCTEOSA-N 1 0 334.395 3.477 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCCNC(=O)c1cccs1 ZINC000873049952 1297247342 /nfs/dbraw/zinc/24/73/42/1297247342.db2.gz NJIVKBFNULRRBJ-UHFFFAOYSA-N 1 0 347.440 3.183 20 5 EGBDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000007370126 1291069771 /nfs/dbraw/zinc/06/97/71/1291069771.db2.gz PYRZKRKDMFWEQY-CYBMUJFWSA-N 1 0 336.461 3.146 20 5 EGBDRO O=[N+]([O-])c1c(NC[C@H](c2ccco2)[NH+]2CCCC2)nc2ccccn21 ZINC000029847926 1291337282 /nfs/dbraw/zinc/33/72/82/1291337282.db2.gz MVMUABIIOYAXRJ-CYBMUJFWSA-N 1 0 341.371 3.085 20 5 EGBDRO Cc1c([C@@H](C)[NH2+]C[C@]2(O)CCc3ccccc32)cccc1[N+](=O)[O-] ZINC000090779912 1292806158 /nfs/dbraw/zinc/80/61/58/1292806158.db2.gz QRJVFGMIJXXOBH-AUUYWEPGSA-N 1 0 326.396 3.388 20 5 EGBDRO O=C1O[C@@H](C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CC12CCC2 ZINC000831538787 1292881652 /nfs/dbraw/zinc/88/16/52/1292881652.db2.gz ISECBOAQAXWCAO-NVXWUHKLSA-N 1 0 344.411 3.260 20 5 EGBDRO C[NH+](C)CC[C@@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000116129306 1293200437 /nfs/dbraw/zinc/20/04/37/1293200437.db2.gz VZEYGGDXBXVLNT-YCABEKBOSA-N 1 0 333.432 3.091 20 5 EGBDRO CC(C)(C)OC(=O)NC[C@H]1CCC[C@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000173348053 1294459964 /nfs/dbraw/zinc/45/99/64/1294459964.db2.gz VCXISSFAUMCSRL-UKRRQHHQSA-N 1 0 349.431 3.378 20 5 EGBDRO Cc1ccc(N2CC[C@H]([NH2+][C@@H](C)c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000173964577 1294474497 /nfs/dbraw/zinc/47/44/97/1294474497.db2.gz LUJRSRZEBLKMNL-KSSFIOAISA-N 1 0 339.395 3.359 20 5 EGBDRO CC(C)CN(CC[NH+](C)C)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000176542683 1294613682 /nfs/dbraw/zinc/61/36/82/1294613682.db2.gz OZZOSLJMXOSRQU-UHFFFAOYSA-N 1 0 342.827 3.300 20 5 EGBDRO CC(C)(C)OC(=O)N[C@@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000190728232 1295608745 /nfs/dbraw/zinc/60/87/45/1295608745.db2.gz OMCRUQOITBOUNS-OAHLLOKOSA-N 1 0 349.431 3.126 20 5 EGBDRO C[C@H]1OCC[C@@]1(C)[NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000230155756 1296160886 /nfs/dbraw/zinc/16/08/86/1296160886.db2.gz TYZGUNGTUSLNMZ-NOZJJQNGSA-N 1 0 329.194 3.014 20 5 EGBDRO CC[C@H](NC(=O)C[C@H](C)[C@H]1CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000262615986 1296642064 /nfs/dbraw/zinc/64/20/64/1296642064.db2.gz DAVODGJIYWVCGN-QRTARXTBSA-N 1 0 333.432 3.188 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CCc2c[nH]nc2C1 ZINC000872043674 1296692489 /nfs/dbraw/zinc/69/24/89/1296692489.db2.gz KHVGRWQSLLFGBS-PWSUYJOCSA-N 1 0 332.429 3.248 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCn2ccnc2C1 ZINC000872063692 1296710402 /nfs/dbraw/zinc/71/04/02/1296710402.db2.gz RZPKKRCBVVZUGK-RYUDHWBXSA-N 1 0 332.429 3.179 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](C)Cc1cnn(C)c1 ZINC000872076667 1296721074 /nfs/dbraw/zinc/72/10/74/1296721074.db2.gz PLBCYLJEGUVQHT-NWDGAFQWSA-N 1 0 334.445 3.332 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H]1CCN(c2ncccc2F)C1 ZINC000873075344 1297261724 /nfs/dbraw/zinc/26/17/24/1297261724.db2.gz XULRIBHCELSSQT-CQSZACIVSA-N 1 0 344.390 3.114 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H](c1ccnn1C)C(C)C ZINC000873113100 1297276419 /nfs/dbraw/zinc/27/64/19/1297276419.db2.gz PWOKMJGWDDETFV-HNNXBMFYSA-N 1 0 330.432 3.475 20 5 EGBDRO Cn1ccnc1C[C@H]1CCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000588458036 1298067497 /nfs/dbraw/zinc/06/74/97/1298067497.db2.gz UOZGWCGUFRWUIU-KQQSKNTNSA-N 1 0 340.427 3.296 20 5 EGBDRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000746108232 1298534138 /nfs/dbraw/zinc/53/41/38/1298534138.db2.gz JSZMDRPDXMNLFS-TXEJJXNPSA-N 1 0 339.823 3.079 20 5 EGBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)C1 ZINC000746391447 1298578829 /nfs/dbraw/zinc/57/88/29/1298578829.db2.gz ODHJFDWUQFGGAC-ZDUSSCGKSA-N 1 0 346.456 3.373 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C[C@@H](O)c3ccco3)o2)c1 ZINC000747098675 1298727107 /nfs/dbraw/zinc/72/71/07/1298727107.db2.gz RLOIUEHFVBXQRV-OAHLLOKOSA-N 1 0 328.324 3.271 20 5 EGBDRO C[C@@](O)(C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccco1 ZINC000877072417 1299144161 /nfs/dbraw/zinc/14/41/61/1299144161.db2.gz LZWWKHJDYOSBAQ-CQSZACIVSA-N 1 0 344.289 3.204 20 5 EGBDRO C[C@@H](C[C@@H](O)c1ccc(F)cc1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000877130311 1299172267 /nfs/dbraw/zinc/17/22/67/1299172267.db2.gz QJEPLTUTVCOIOF-SCLBCKFNSA-N 1 0 332.375 3.378 20 5 EGBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(c2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000749320865 1299191798 /nfs/dbraw/zinc/19/17/98/1299191798.db2.gz BLMXNBTWVXXNDD-LBPRGKRZSA-N 1 0 325.359 3.041 20 5 EGBDRO C[NH+](C)CCN(Cc1ccco1)c1c(F)cc([N+](=O)[O-])cc1F ZINC000749321307 1299191935 /nfs/dbraw/zinc/19/19/35/1299191935.db2.gz KGVYNGHCMIRWMF-UHFFFAOYSA-N 1 0 325.315 3.034 20 5 EGBDRO CCS[C@@H]1CC[C@H]([N@H+](C)Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1 ZINC000749962531 1299315431 /nfs/dbraw/zinc/31/54/31/1299315431.db2.gz XNJIUENSTLUARV-GXTWGEPZSA-N 1 0 349.460 3.211 20 5 EGBDRO CCC1(CC)[C@H](OC)C[C@H]1[N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750114303 1299339099 /nfs/dbraw/zinc/33/90/99/1299339099.db2.gz JBTAWRCYDGOXBT-BRWVUGGUSA-N 1 0 336.432 3.154 20 5 EGBDRO CO[C@H]1C[C@H]([NH2+]Cc2c(Br)cccc2[N+](=O)[O-])C1(C)C ZINC000753374308 1299923539 /nfs/dbraw/zinc/92/35/39/1299923539.db2.gz SXCPILGSXULALO-STQMWFEESA-N 1 0 343.221 3.260 20 5 EGBDRO C[C@H](Cc1cnccn1)[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000753946509 1300051595 /nfs/dbraw/zinc/05/15/95/1300051595.db2.gz IBNPNCJMBQLPMA-RVKKMQEKSA-N 1 0 340.427 3.317 20 5 EGBDRO CC(C)COC[C@@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000754304450 1300119729 /nfs/dbraw/zinc/11/97/29/1300119729.db2.gz ZHTNFEHZAMPRIK-SJORKVTESA-N 1 0 348.399 3.225 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3C[C@@H]4CC=CC[C@@H]4C3)n2)c1 ZINC000879528304 1300582847 /nfs/dbraw/zinc/58/28/47/1300582847.db2.gz SOLDOUCZDBWPKA-OKILXGFUSA-N 1 0 326.356 3.043 20 5 EGBDRO C[NH+](C)CC1(CNC(=S)Nc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000758942770 1300986311 /nfs/dbraw/zinc/98/63/11/1300986311.db2.gz ZHRDVHKMHUTMDK-UHFFFAOYSA-N 1 0 336.461 3.003 20 5 EGBDRO Cc1cccc(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)c1 ZINC000761524213 1301490259 /nfs/dbraw/zinc/49/02/59/1301490259.db2.gz YTPYUPXJYJJFIC-UHFFFAOYSA-N 1 0 347.802 3.076 20 5 EGBDRO O=[N+]([O-])c1c(F)nccc1NCc1ccccc1C[NH+]1CCCC1 ZINC000881776660 1301717057 /nfs/dbraw/zinc/71/70/57/1301717057.db2.gz SMLLPAUPFYOYKT-UHFFFAOYSA-N 1 0 330.363 3.337 20 5 EGBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000882810289 1302113519 /nfs/dbraw/zinc/11/35/19/1302113519.db2.gz CNWNVJGCZMGBGS-AWEZNQCLSA-N 1 0 343.431 3.003 20 5 EGBDRO CC[C@@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(OC)cc1 ZINC000765850294 1302340872 /nfs/dbraw/zinc/34/08/72/1302340872.db2.gz WXLKAGREZSOPAD-MSOLQXFVSA-N 1 0 330.384 3.378 20 5 EGBDRO Cc1c([C@@H](C)[NH2+][C@H](C)CNC(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC000769413754 1303109260 /nfs/dbraw/zinc/10/92/60/1303109260.db2.gz FAYOYPMQSUNFGD-DGCLKSJQSA-N 1 0 337.420 3.467 20 5 EGBDRO CNC(=O)N1CC[NH+](Cc2c3ccccc3cc3ccccc32)CC1 ZINC000769499970 1303128133 /nfs/dbraw/zinc/12/81/33/1303128133.db2.gz YJLOKCCBQGOFGR-UHFFFAOYSA-N 1 0 333.435 3.450 20 5 EGBDRO Cc1nc(C2CC[NH+](CCOc3cccc([N+](=O)[O-])c3)CC2)[nH]c1C ZINC000886667539 1303547766 /nfs/dbraw/zinc/54/77/66/1303547766.db2.gz CIFDCSVSKQGYSX-UHFFFAOYSA-N 1 0 344.415 3.193 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC1CN(C(=O)OC(C)(C)C)C1 ZINC000773122055 1303628091 /nfs/dbraw/zinc/62/80/91/1303628091.db2.gz RXTYTDVXCTZABU-ZDUSSCGKSA-N 1 0 349.431 3.421 20 5 EGBDRO CC[N@H+](C[C@@H]1CCCO1)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000774636663 1303837440 /nfs/dbraw/zinc/83/74/40/1303837440.db2.gz VZQTXBSWDCNMFD-ZDUSSCGKSA-N 1 0 338.795 3.056 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)c1C ZINC000888185543 1304063919 /nfs/dbraw/zinc/06/39/19/1304063919.db2.gz OIRNTNICQXRKFY-KGLIPLIRSA-N 1 0 333.432 3.204 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH+]2CCC(c3ccc(O)cc3)CC2)cc1 ZINC000776279866 1304127633 /nfs/dbraw/zinc/12/76/33/1304127633.db2.gz YNPIZVVHRNUJPL-IBGZPJMESA-N 1 0 342.395 3.213 20 5 EGBDRO Cc1nc(C)c([C@H](C)[N@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000776583206 1304175286 /nfs/dbraw/zinc/17/52/86/1304175286.db2.gz ZBHZPLLHBOIUMW-XHDPSFHLSA-N 1 0 335.429 3.395 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC[C@@H](Nc3ccccc3)C2)cc1 ZINC000776591901 1304177624 /nfs/dbraw/zinc/17/76/24/1304177624.db2.gz RAHPWAPLZOXFFS-IEBWSBKVSA-N 1 0 341.411 3.205 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCC[C@@H](Nc3ccccc3)C2)cc1 ZINC000776591902 1304177710 /nfs/dbraw/zinc/17/77/10/1304177710.db2.gz RAHPWAPLZOXFFS-MJGOQNOKSA-N 1 0 341.411 3.205 20 5 EGBDRO C[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1cncc(F)c1 ZINC000781917428 1304890881 /nfs/dbraw/zinc/89/08/81/1304890881.db2.gz FOSNOWRWZPXQBP-CYBMUJFWSA-N 1 0 344.390 3.449 20 5 EGBDRO C[C@H]1C[N@H+](CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)CC(C)(C)C1 ZINC000784008423 1305175041 /nfs/dbraw/zinc/17/50/41/1305175041.db2.gz SDSXRJMOPOWTDC-CQSZACIVSA-N 1 0 346.431 3.162 20 5 EGBDRO Cc1cccc([C@@H]2CC[N@H+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000784478462 1305248494 /nfs/dbraw/zinc/24/84/94/1305248494.db2.gz CESJHLOAXUGFIN-IEBWSBKVSA-N 1 0 326.396 3.426 20 5 EGBDRO COc1ccc(C[NH2+]Cc2c(C)nn(C(C)C)c2C)cc1[N+](=O)[O-] ZINC000892714485 1305520277 /nfs/dbraw/zinc/52/02/77/1305520277.db2.gz PLGFZZBEPZARGD-UHFFFAOYSA-N 1 0 332.404 3.287 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](O)c1ccccc1F ZINC000786813464 1305634040 /nfs/dbraw/zinc/63/40/40/1305634040.db2.gz WWUGSNMDXSFSSO-YVJSUPCUSA-N 1 0 330.359 3.460 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@]1(O)CCc2ccccc21 ZINC000786819362 1305634784 /nfs/dbraw/zinc/63/47/84/1305634784.db2.gz BMXATYZZBXTZHS-HFZJLKNISA-N 1 0 338.407 3.422 20 5 EGBDRO C[C@](O)(C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])c1cccs1 ZINC000892992881 1305644356 /nfs/dbraw/zinc/64/43/56/1305644356.db2.gz MHRJYZPWTBMTPW-AWEZNQCLSA-N 1 0 326.805 3.307 20 5 EGBDRO C[C@@H]([NH2+]CCCOCCc1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788558103 1305970658 /nfs/dbraw/zinc/97/06/58/1305970658.db2.gz SLYDSCJMUFKVLT-OAHLLOKOSA-N 1 0 343.427 3.477 20 5 EGBDRO C[C@H]([NH2+]C[C@](C)(O)c1cccc(Cl)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788750389 1306007917 /nfs/dbraw/zinc/00/79/17/1306007917.db2.gz NHURRRBPBQOLQU-GTNSWQLSSA-N 1 0 349.818 3.389 20 5 EGBDRO O=c1oc2ccc(CN(Cc3cccc([N+](=O)[O-])c3)C3CC3)cc2o1 ZINC000893945976 1306140080 /nfs/dbraw/zinc/14/00/80/1306140080.db2.gz SBLLSTPFTDUUKD-UHFFFAOYSA-N 1 0 340.335 3.459 20 5 EGBDRO CC(C)CC[NH+]1CCC(NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000894056371 1306194730 /nfs/dbraw/zinc/19/47/30/1306194730.db2.gz FXLJAFMGCZEUAJ-UHFFFAOYSA-N 1 0 345.447 3.071 20 5 EGBDRO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)c1F ZINC000790247568 1306281322 /nfs/dbraw/zinc/28/13/22/1306281322.db2.gz TTWRXVZHLPSHCA-OLZOCXBDSA-N 1 0 337.395 3.035 20 5 EGBDRO C[C@H](C[NH+](C)C)[C@H]1CCCCN1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000895378532 1309307480 /nfs/dbraw/zinc/30/74/80/1309307480.db2.gz IMAMGLCJWHJNRU-CZUORRHYSA-N 1 0 346.431 3.288 20 5 EGBDRO CCC(=O)c1ccc(N(CC[NH+](C)C)Cc2ccco2)c([N+](=O)[O-])c1 ZINC000795111811 1309671511 /nfs/dbraw/zinc/67/15/11/1309671511.db2.gz KYTXGEPPFVWMAP-UHFFFAOYSA-N 1 0 345.399 3.349 20 5 EGBDRO Cc1nn2c(nc(C)c2C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000896511676 1309893466 /nfs/dbraw/zinc/89/34/66/1309893466.db2.gz JKFSWZWNJJKLOR-SECBINFHSA-N 1 0 331.401 3.167 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1COC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000797476971 1310197816 /nfs/dbraw/zinc/19/78/16/1310197816.db2.gz BJNGNPLHXUHNOD-INIZCTEOSA-N 1 0 348.399 3.054 20 5 EGBDRO CC(C)(C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CCOCC1 ZINC000897442057 1310338317 /nfs/dbraw/zinc/33/83/17/1310338317.db2.gz PMPBMFBCIKKWCR-UHFFFAOYSA-N 1 0 333.388 3.278 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@H](CCO)Cc1ccccc1 ZINC000799351430 1310534566 /nfs/dbraw/zinc/53/45/66/1310534566.db2.gz PBVTUMZJEVEYRX-OEPRFQHASA-N 1 0 326.396 3.191 20 5 EGBDRO COc1cccc(C[NH+]2CCC(Nc3ncc([N+](=O)[O-])s3)CC2)c1 ZINC000799931087 1310639892 /nfs/dbraw/zinc/63/98/92/1310639892.db2.gz GDNGMCMCAIUMNB-UHFFFAOYSA-N 1 0 348.428 3.136 20 5 EGBDRO O=C(OCCC[NH+]1CCCCC1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000800087038 1310670035 /nfs/dbraw/zinc/67/00/35/1310670035.db2.gz RCCZWLNPOVYIIQ-UHFFFAOYSA-N 1 0 326.780 3.281 20 5 EGBDRO Cc1cc(F)cc2c1C[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000800471742 1310764636 /nfs/dbraw/zinc/76/46/36/1310764636.db2.gz DKEGAQKDANHKLD-GOSISDBHSA-N 1 0 330.359 3.134 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000823112532 1320155532 /nfs/dbraw/zinc/15/55/32/1320155532.db2.gz OMXKZKPNEDRKOV-CYBMUJFWSA-N 1 0 345.443 3.158 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@@H](OC(=O)N(C)C)C1 ZINC000824616229 1320271178 /nfs/dbraw/zinc/27/11/78/1320271178.db2.gz TYRQDLLSNXHIRG-OOXMNIKJSA-N 1 0 347.415 3.161 20 5 EGBDRO Cc1cc(NCc2ccc([N+](=O)[O-])cc2)ccc1OCC[NH+](C)C ZINC000839185431 1320889253 /nfs/dbraw/zinc/88/92/53/1320889253.db2.gz YXGOEUNRYLRALR-UHFFFAOYSA-N 1 0 329.400 3.456 20 5 EGBDRO CCC(CC)[NH2+]CCNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000929217059 1328539594 /nfs/dbraw/zinc/53/95/94/1328539594.db2.gz IGYZOOLZCJWFOH-UHFFFAOYSA-N 1 0 328.800 3.148 20 5 EGBDRO O=C(NCCC[NH+]1CCCCCC1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000929471944 1328606229 /nfs/dbraw/zinc/60/62/29/1328606229.db2.gz ZXWQYUVMOGPEEX-ZWKOTPCHSA-N 1 0 345.443 3.081 20 5 EGBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1ccc([N+](=O)[O-])cc1OC(F)F ZINC000804812615 1317286815 /nfs/dbraw/zinc/28/68/15/1317286815.db2.gz JYAMKWOLPPULKH-DGCLKSJQSA-N 1 0 341.358 3.259 20 5 EGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)c1 ZINC000806146553 1317465451 /nfs/dbraw/zinc/46/54/51/1317465451.db2.gz BYYOSMCYJOUKLN-CABZTGNLSA-N 1 0 338.713 3.448 20 5 EGBDRO O=C(CC1CCCCC1)N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001019974759 1317482203 /nfs/dbraw/zinc/48/22/03/1317482203.db2.gz IBBCLCVIUYTRJA-QAQDUYKDSA-N 1 0 345.443 3.302 20 5 EGBDRO CCCC(=O)N1CCC(C[N@H+](CC)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000957665019 1317536102 /nfs/dbraw/zinc/53/61/02/1317536102.db2.gz ZYKLWKHVMJXCQL-UHFFFAOYSA-N 1 0 347.459 3.455 20 5 EGBDRO Cc1nn(C)c2ncc(C[NH2+][C@H](C)c3ccc([N+](=O)[O-])cc3)cc12 ZINC000903287927 1317683122 /nfs/dbraw/zinc/68/31/22/1317683122.db2.gz TWIJKNOCSAYUBT-LLVKDONJSA-N 1 0 325.372 3.036 20 5 EGBDRO CC1(C)CC(CC(=O)N[C@H]2C[C@H]([NH2+]Cc3ccccc3[N+](=O)[O-])C2)C1 ZINC001020503442 1317731952 /nfs/dbraw/zinc/73/19/52/1317731952.db2.gz FFHXKSOOUWUTLF-WKILWMFISA-N 1 0 345.443 3.158 20 5 EGBDRO [NH3+]CCN(Cc1cccc(OC(F)F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000809734796 1317882816 /nfs/dbraw/zinc/88/28/16/1317882816.db2.gz LTJYPFPAUZYEAP-UHFFFAOYSA-N 1 0 337.326 3.162 20 5 EGBDRO CC(C)Oc1cccc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)c1 ZINC000809735237 1317883611 /nfs/dbraw/zinc/88/36/11/1317883611.db2.gz WTEGQRKPUARCGL-UHFFFAOYSA-N 1 0 329.400 3.347 20 5 EGBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+][C@H]1CCc2n[nH]cc2C1 ZINC000811481101 1318181699 /nfs/dbraw/zinc/18/16/99/1318181699.db2.gz ODHMBKCICQEIRT-NSHDSACASA-N 1 0 341.198 3.272 20 5 EGBDRO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2ccnc(Cl)c2Cl)cc1 ZINC000811477851 1318182702 /nfs/dbraw/zinc/18/27/02/1318182702.db2.gz GSNDMFZDUSULDK-UHFFFAOYSA-N 1 0 342.182 3.465 20 5 EGBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1CCn2ccnc2C1 ZINC000811492233 1318185059 /nfs/dbraw/zinc/18/50/59/1318185059.db2.gz YTESBRFGVPNPEW-LLVKDONJSA-N 1 0 341.198 3.203 20 5 EGBDRO C[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1Cl)[N@@H+]1CCCC[C@@H]1C ZINC000858478610 1328774092 /nfs/dbraw/zinc/77/40/92/1328774092.db2.gz VVOHJYAVAMVRSJ-NWDGAFQWSA-N 1 0 339.823 3.241 20 5 EGBDRO C[C@@H](O)C[C@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Br ZINC000930081618 1328780729 /nfs/dbraw/zinc/78/07/29/1328780729.db2.gz NNVPWGGPAQUYOA-ZYHUDNBSSA-N 1 0 343.221 3.093 20 5 EGBDRO C[C@H](O)C[C@@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Br ZINC000930081614 1328780870 /nfs/dbraw/zinc/78/08/70/1328780870.db2.gz NNVPWGGPAQUYOA-JQWIXIFHSA-N 1 0 343.221 3.093 20 5 EGBDRO C[C@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000912809066 1318935865 /nfs/dbraw/zinc/93/58/65/1318935865.db2.gz CNLCRYIOWNTTAX-QAPCUYQASA-N 1 0 347.459 3.106 20 5 EGBDRO C[C@H]([NH2+]CCCc1nc2ccccc2[nH]1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815565896 1319017858 /nfs/dbraw/zinc/01/78/58/1319017858.db2.gz CYRCIXOHGACQRI-LBPRGKRZSA-N 1 0 339.399 3.337 20 5 EGBDRO C[C@@H]([NH2+]C[C@H]1COC2(CCC(C)CC2)O1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815609900 1319027339 /nfs/dbraw/zinc/02/73/39/1319027339.db2.gz WEJYTUOFUGBBHV-WFGSVCOBSA-N 1 0 349.431 3.149 20 5 EGBDRO c1ccc2c(c1)cc1ccccc1c2C[NH2+][C@H]1CCc2nnnn2CC1 ZINC000817418979 1319356752 /nfs/dbraw/zinc/35/67/52/1319356752.db2.gz NFVZBPDPABZSQV-KRWDZBQOSA-N 1 0 343.434 3.474 20 5 EGBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)c1ccc(C[NH+]2CCCCC2)o1 ZINC000930277028 1328824987 /nfs/dbraw/zinc/82/49/87/1328824987.db2.gz WAWHHCOKFGFMRJ-UHFFFAOYSA-N 1 0 343.383 3.104 20 5 EGBDRO Cc1cc(F)cc(C(=O)N2CCCc3cc(C[NH3+])ccc32)c1[N+](=O)[O-] ZINC000818552626 1319558300 /nfs/dbraw/zinc/55/83/00/1319558300.db2.gz GTOZCGSJOFPKGM-UHFFFAOYSA-N 1 0 343.358 3.094 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]Cc2ccccc2C(F)(F)F)c1 ZINC000818952334 1319588026 /nfs/dbraw/zinc/58/80/26/1319588026.db2.gz ZFCDTSVOGNWXOM-HNNXBMFYSA-N 1 0 340.301 3.437 20 5 EGBDRO CC[C@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)Oc1cccc(F)c1 ZINC000819141924 1319648160 /nfs/dbraw/zinc/64/81/60/1319648160.db2.gz MHXSIHUNMTVDMW-SJLPKXTDSA-N 1 0 348.374 3.215 20 5 EGBDRO CSCc1cccc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000819254827 1319681769 /nfs/dbraw/zinc/68/17/69/1319681769.db2.gz YGVWQZDKBLBUFA-QGZVFWFLSA-N 1 0 332.425 3.281 20 5 EGBDRO COc1cccc(Cl)c1C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819262038 1319683394 /nfs/dbraw/zinc/68/33/94/1319683394.db2.gz PQPAHAHCZPIXQL-HNNXBMFYSA-N 1 0 336.775 3.080 20 5 EGBDRO COc1cccc([C@H]2C[C@H]([NH2+]C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)c1 ZINC000819352884 1319707059 /nfs/dbraw/zinc/70/70/59/1319707059.db2.gz SWIXRNUHAMDSJG-GPMSIDNRSA-N 1 0 342.395 3.173 20 5 EGBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](C[C@@H]3CCCO3)CC2)c(Cl)c1 ZINC000917064300 1319747976 /nfs/dbraw/zinc/74/79/76/1319747976.db2.gz NPXFKIZCEQPREW-AWEZNQCLSA-N 1 0 339.823 3.304 20 5 EGBDRO CC[NH+](CC)CC1CCN(c2ccc(C(C)=O)cc2[N+](=O)[O-])CC1 ZINC000917078486 1319750467 /nfs/dbraw/zinc/75/04/67/1319750467.db2.gz HXRILIUBXCSAER-UHFFFAOYSA-N 1 0 333.432 3.356 20 5 EGBDRO C[C@H]1CCC[C@H]([N@H+](C)Cn2cc(Br)c([N+](=O)[O-])n2)C1 ZINC000917615772 1319851205 /nfs/dbraw/zinc/85/12/05/1319851205.db2.gz UAESYPDRBXHANS-UWVGGRQHSA-N 1 0 331.214 3.022 20 5 EGBDRO [NH3+][C@H](CCc1nc(-c2ccc([N+](=O)[O-])o2)no1)CC1CCCCC1 ZINC000823269983 1320166835 /nfs/dbraw/zinc/16/68/35/1320166835.db2.gz MOWPQNRBTFOIMG-GFCCVEGCSA-N 1 0 334.376 3.468 20 5 EGBDRO CCOc1cc(C[N@H+](C)C[C@@](C)(O)c2ccccc2)ccc1[N+](=O)[O-] ZINC000823607118 1320192073 /nfs/dbraw/zinc/19/20/73/1320192073.db2.gz YVPJUOIKXNGFHE-LJQANCHMSA-N 1 0 344.411 3.333 20 5 EGBDRO CCCN(C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000841011396 1321199822 /nfs/dbraw/zinc/19/98/22/1321199822.db2.gz PQNRNKBTJKCEEJ-UHFFFAOYSA-N 1 0 340.811 3.244 20 5 EGBDRO O=[N+]([O-])c1ccc(CNc2ccc3c(c2)C[NH2+]CCO3)cc1Cl ZINC000841082593 1321215163 /nfs/dbraw/zinc/21/51/63/1321215163.db2.gz LTLSCSDMQPIXGY-UHFFFAOYSA-N 1 0 333.775 3.342 20 5 EGBDRO CC[C@@H]1OCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Br ZINC000930704964 1328943054 /nfs/dbraw/zinc/94/30/54/1328943054.db2.gz NIBLYIUXWCCIAP-OLZOCXBDSA-N 1 0 329.194 3.014 20 5 EGBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000930732816 1328952880 /nfs/dbraw/zinc/95/28/80/1328952880.db2.gz WXEUSAHYWTVBPQ-AWEZNQCLSA-N 1 0 334.420 3.099 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1-c1noc(C[C@H](C)[C@@H]2CCC[NH2+]C2)n1 ZINC000843187666 1321484080 /nfs/dbraw/zinc/48/40/80/1321484080.db2.gz SGOARTPOAGCWHT-WCQYABFASA-N 1 0 330.388 3.131 20 5 EGBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@H](C)[C@@H]([NH3+])c1ccccc1)CC2 ZINC000843495898 1321522705 /nfs/dbraw/zinc/52/27/05/1321522705.db2.gz XDACZONRJXFBKI-FZKQIMNGSA-N 1 0 339.395 3.128 20 5 EGBDRO C[C@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])[C@H](O)c1ccc(F)cc1 ZINC000848531193 1321970401 /nfs/dbraw/zinc/97/04/01/1321970401.db2.gz OSTBPMBNDYXLFO-LSKLOWJMSA-N 1 0 330.359 3.433 20 5 EGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@@H](O)c1c(F)cccc1F ZINC000848532502 1321970826 /nfs/dbraw/zinc/97/08/26/1321970826.db2.gz AWWBFCOKFDRCID-GDBMZVCRSA-N 1 0 334.322 3.184 20 5 EGBDRO C[C@](O)(C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc(F)cc1 ZINC000848537114 1321972147 /nfs/dbraw/zinc/97/21/47/1321972147.db2.gz ZYIGHBXALHHIDY-AEFFLSMTSA-N 1 0 330.359 3.219 20 5 EGBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1nc2ccccn2c1[N+](=O)[O-] ZINC000919965361 1322122931 /nfs/dbraw/zinc/12/29/31/1322122931.db2.gz XBVSLKURPWRMOI-HZSPNIEDSA-N 1 0 331.420 3.021 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@](C)(O)c1ccsc1 ZINC000850437429 1322249397 /nfs/dbraw/zinc/24/93/97/1322249397.db2.gz PBNRXMIXZNYYGU-ZBEGNZNMSA-N 1 0 336.413 3.223 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](C)C[C@H](O)c1ccco1 ZINC000850443436 1322250641 /nfs/dbraw/zinc/25/06/41/1322250641.db2.gz SFZROOMXNPYBEZ-HUBLWGQQSA-N 1 0 334.372 3.359 20 5 EGBDRO C[C@@H]([NH2+]C[C@H](O)c1cc(F)c(F)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000850581494 1322273074 /nfs/dbraw/zinc/27/30/74/1322273074.db2.gz FSGXVLSEWGJIMN-PSLIRLAXSA-N 1 0 340.301 3.396 20 5 EGBDRO O=[N+]([O-])c1cc(CN[C@H](c2ccccn2)C2CC2)c2c(c1)COCO2 ZINC000922586106 1322563872 /nfs/dbraw/zinc/56/38/72/1322563872.db2.gz KOVJRWSRVPCYRX-KRWDZBQOSA-N 1 0 341.367 3.097 20 5 EGBDRO Cc1ccc(C[NH2+]C[C@@H]2CCCN2CC(F)(F)F)cc1[N+](=O)[O-] ZINC000922710394 1322600136 /nfs/dbraw/zinc/60/01/36/1322600136.db2.gz YCYJYTVPUBBEBT-ZDUSSCGKSA-N 1 0 331.338 3.020 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3C[C@H](CO)C3)o2)c(Cl)c1 ZINC000923006859 1322672963 /nfs/dbraw/zinc/67/29/63/1322672963.db2.gz GRQOSEUQOGHKKV-XYPYZODXSA-N 1 0 336.775 3.369 20 5 EGBDRO CCOc1ccc(C(=O)OCC[C@H]2CCCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000924430492 1323022186 /nfs/dbraw/zinc/02/21/86/1323022186.db2.gz QJYARKGZBNGVCV-CQSZACIVSA-N 1 0 336.388 3.025 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC(C)([NH+](C)C)CC1 ZINC000931349960 1329100231 /nfs/dbraw/zinc/10/02/31/1329100231.db2.gz CEHMKBNEOAGWRS-UHFFFAOYSA-N 1 0 335.448 3.298 20 5 EGBDRO CC(C)C[C@H]1CC[N@H+](Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)C1 ZINC000853499256 1325104701 /nfs/dbraw/zinc/10/47/01/1325104701.db2.gz IYDAXADVCHOQTE-CQSZACIVSA-N 1 0 329.404 3.179 20 5 EGBDRO CC(C)[C@H]1CCC[N@H+](Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)C1 ZINC000853508053 1325108565 /nfs/dbraw/zinc/10/85/65/1325108565.db2.gz IVJAAOFOBGMGRG-AWEZNQCLSA-N 1 0 329.404 3.179 20 5 EGBDRO C[C@@H]1C[N@H+](Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)[C@@H]2CCCC[C@H]21 ZINC000853506527 1325109485 /nfs/dbraw/zinc/10/94/85/1325109485.db2.gz NMRYBOAMJBGJJX-IJEWVQPXSA-N 1 0 341.415 3.321 20 5 EGBDRO CC(C)n1cc([C@H](C)[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)nn1 ZINC000925468006 1325164337 /nfs/dbraw/zinc/16/43/37/1325164337.db2.gz XZHSAVNAMIZORD-AWEZNQCLSA-N 1 0 331.420 3.441 20 5 EGBDRO COc1cc(N[C@H]2CC[N@@H+](C3CCCCC3)C2)c([N+](=O)[O-])cc1OC ZINC000853849687 1325171322 /nfs/dbraw/zinc/17/13/22/1325171322.db2.gz CNPGXGVOWSKEGP-ZDUSSCGKSA-N 1 0 349.431 3.431 20 5 EGBDRO COc1cc(NC[C@H]2CCC[N@H+](CC3CC3)C2)c([N+](=O)[O-])cc1OC ZINC000854000308 1325200412 /nfs/dbraw/zinc/20/04/12/1325200412.db2.gz UDHOTKSJSPBRDY-CQSZACIVSA-N 1 0 349.431 3.146 20 5 EGBDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000854314466 1325242619 /nfs/dbraw/zinc/24/26/19/1325242619.db2.gz NBYKZKINSBMAPO-LLVKDONJSA-N 1 0 340.811 3.243 20 5 EGBDRO COc1cc([C@H](C)[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])on1 ZINC000926113169 1325434128 /nfs/dbraw/zinc/43/41/28/1325434128.db2.gz MTADXIYWGPVOIB-VIFPVBQESA-N 1 0 325.752 3.138 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]CC1CC2(C1)OCCO2 ZINC000927003310 1327815049 /nfs/dbraw/zinc/81/50/49/1327815049.db2.gz MAXMVUMLIKOVTN-DOTOQJQBSA-N 1 0 346.427 3.049 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H](c1cnn(C)c1)C(C)C ZINC000927065554 1327837558 /nfs/dbraw/zinc/83/75/58/1327837558.db2.gz GCEICICSILYFBF-SJKOYZFVSA-N 1 0 332.404 3.385 20 5 EGBDRO Cc1ccc(NC(=O)Cc2cccc(F)c2[N+](=O)[O-])c(C[NH+](C)C)c1 ZINC000865865411 1329746826 /nfs/dbraw/zinc/74/68/26/1329746826.db2.gz ZNNZDCLQYMBXKF-UHFFFAOYSA-N 1 0 345.374 3.285 20 5 EGBDRO C[C@@H]([NH2+][C@@H](C)C(=O)N1C[C@H](C)C[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000932182075 1329791709 /nfs/dbraw/zinc/79/17/09/1329791709.db2.gz IOKLZAQIQPMYFK-BARDWOONSA-N 1 0 333.432 3.138 20 5 EGBDRO C[C@H]([NH2+][C@@H](c1ccccn1)C1CC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000932375893 1329809437 /nfs/dbraw/zinc/80/94/37/1329809437.db2.gz AGUURYNOLAHKOV-YVEFUNNKSA-N 1 0 340.383 3.058 20 5 EGBDRO C[C@@H](COCC1CCCCC1)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000932420868 1329813262 /nfs/dbraw/zinc/81/32/62/1329813262.db2.gz JBOJNCMSNABVIU-KSSFIOAISA-N 1 0 336.432 3.203 20 5 EGBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000933372140 1329883901 /nfs/dbraw/zinc/88/39/01/1329883901.db2.gz SWSTVSZJAGHXHW-AETAKHFUSA-N 1 0 345.443 3.030 20 5 EGBDRO CCN(CCC[NH+]1CCCC1)C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000935591948 1330062663 /nfs/dbraw/zinc/06/26/63/1330062663.db2.gz SNKGZZSZBINAKN-ZWKOTPCHSA-N 1 0 345.443 3.033 20 5 EGBDRO Cc1ccc(C[C@H](CO)[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])cc1 ZINC000866347049 1330100082 /nfs/dbraw/zinc/10/00/82/1330100082.db2.gz ZJBRBSVNXKKRBW-RDTXWAMCSA-N 1 0 346.402 3.167 20 5 EGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H](C)[C@H](O)c1ccccc1 ZINC000866358630 1330101956 /nfs/dbraw/zinc/10/19/56/1330101956.db2.gz KOLIOWPMWNWYJI-VBHSOAQHSA-N 1 0 332.375 3.377 20 5 EGBDRO O=C(N[C@H]1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1)C1CCCC1 ZINC001034580280 1342626808 /nfs/dbraw/zinc/62/68/08/1342626808.db2.gz IJEJIERFLWYCQG-QAQDUYKDSA-N 1 0 345.443 3.302 20 5 EGBDRO O=C(N[C@H]1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1)c1ccoc1 ZINC001034592575 1342637134 /nfs/dbraw/zinc/63/71/34/1342637134.db2.gz AHSYLZDEXQPLRH-WKILWMFISA-N 1 0 343.383 3.019 20 5 EGBDRO CC1(C(=O)N[C@H]2CC[C@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)CC2)CCC1 ZINC001034709995 1342706202 /nfs/dbraw/zinc/70/62/02/1342706202.db2.gz WUDPYRXZXNMUGF-WKILWMFISA-N 1 0 345.443 3.302 20 5 EGBDRO CC(C)C(=O)N1CCC2(CC[N@H+](Cc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC001035159116 1342975779 /nfs/dbraw/zinc/97/57/79/1342975779.db2.gz ZSYQGEMXSDXYLL-UHFFFAOYSA-N 1 0 345.443 3.065 20 5 EGBDRO CC[NH+](CC)C[C@H](C)Oc1ncc([N+](=O)[O-])c(C)c1Br ZINC001231092023 1376202617 /nfs/dbraw/zinc/20/26/17/1376202617.db2.gz AJKRNFJLRNAYGJ-VIFPVBQESA-N 1 0 346.225 3.170 20 5 EGBDRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)C1CCCCC1 ZINC001086017312 1358966760 /nfs/dbraw/zinc/96/67/60/1358966760.db2.gz VOUVWOGVPSQGAC-WOVMCDHWSA-N 1 0 345.443 3.160 20 5 EGBDRO CC[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC001325227636 1387917961 /nfs/dbraw/zinc/91/79/61/1387917961.db2.gz HUNPYQHYOCFQJI-HNNXBMFYSA-N 1 0 331.347 3.074 20 5 EGBDRO CCCC1(C(=O)N2CCC([NH2+]Cc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC001202398527 1369761089 /nfs/dbraw/zinc/76/10/89/1369761089.db2.gz NICACUREFOORRD-UHFFFAOYSA-N 1 0 345.443 3.256 20 5 EGBDRO CNC(=O)c1ccc(Nc2ccc3cc4ccc(N)cc4[nH+]c3c2)cn1 ZINC001203637056 1370196094 /nfs/dbraw/zinc/19/60/94/1370196094.db2.gz LPFDOIAMYYOORF-UHFFFAOYSA-N 1 0 343.390 3.468 20 5 EGBDRO CCCC(=O)NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCCCC1 ZINC001115381159 1370419345 /nfs/dbraw/zinc/41/93/45/1370419345.db2.gz GQRPBLLWAPDGCF-UHFFFAOYSA-N 1 0 333.432 3.304 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ncn(C[N@@H+]3CC[C@@H]4CCCC[C@@H]4C3)n2)cc1 ZINC001116018008 1370820975 /nfs/dbraw/zinc/82/09/75/1370820975.db2.gz SWYKMCQDAJFJNK-GOEBONIOSA-N 1 0 341.415 3.323 20 5 EGBDRO CC[N@@H+]1CCC[C@H](CNC(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC001117667783 1371059863 /nfs/dbraw/zinc/05/98/63/1371059863.db2.gz OEYBERFBALJBSG-LLVKDONJSA-N 1 0 340.811 3.102 20 5 EGBDRO O=[N+]([O-])c1ccc2c(cnn2C[N@@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)c1 ZINC001118594877 1371203741 /nfs/dbraw/zinc/20/37/41/1371203741.db2.gz DUYDEWHLWLNPAQ-RDTXWAMCSA-N 1 0 344.415 3.183 20 5 EGBDRO Cc1cncc([N+](=O)[O-])c1N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001326420456 1388183485 /nfs/dbraw/zinc/18/34/85/1388183485.db2.gz HVPITQZWNTYPIG-NVXWUHKLSA-N 1 0 340.427 3.185 20 5 EGBDRO C[NH+]1CCN(c2cccc(F)c2Nc2cccc([N+](=O)[O-])c2F)CC1 ZINC001210386672 1372339603 /nfs/dbraw/zinc/33/96/03/1372339603.db2.gz XCRSHCOVCHXIJV-UHFFFAOYSA-N 1 0 348.353 3.368 20 5 EGBDRO Nc1ccc2cc3ccc(NC4=CCS(=O)(=O)CC4)cc3[nH+]c2c1 ZINC001216568249 1373317228 /nfs/dbraw/zinc/31/72/28/1373317228.db2.gz ZRBSOORBRMSSMU-UHFFFAOYSA-N 1 0 339.420 3.085 20 5 EGBDRO Cc1cc(Br)c(O[C@H]2CCC[NH2+]C[C@@H]2F)cc1[N+](=O)[O-] ZINC001217946353 1373515209 /nfs/dbraw/zinc/51/52/09/1373515209.db2.gz HCICYJFTIGSHKL-JQWIXIFHSA-N 1 0 347.184 3.135 20 5 EGBDRO C[C@H]1C[NH2+]CCC[C@@H]1Oc1ccc(Br)c([N+](=O)[O-])c1 ZINC001217984569 1373526630 /nfs/dbraw/zinc/52/66/30/1373526630.db2.gz FVCUXMXXVYTSBO-ZANVPECISA-N 1 0 329.194 3.124 20 5 EGBDRO C[C@@H]1C[NH2+]CCC[C@H]1Oc1c(Br)cccc1[N+](=O)[O-] ZINC001217988144 1373528174 /nfs/dbraw/zinc/52/81/74/1373528174.db2.gz OYUJUVFYTDDCLH-BXKDBHETSA-N 1 0 329.194 3.124 20 5 EGBDRO C[C@@H](Oc1ccc([N+](=O)[O-])cc1Br)C1CC[NH2+]CC1 ZINC001218002601 1373531619 /nfs/dbraw/zinc/53/16/19/1373531619.db2.gz QVEPYSVIQWTCBT-SECBINFHSA-N 1 0 329.194 3.124 20 5 EGBDRO C[C@H]1CC[NH2+]CC[C@H]1Oc1ccc(Br)cc1[N+](=O)[O-] ZINC001218024472 1373540392 /nfs/dbraw/zinc/54/03/92/1373540392.db2.gz AGZTWVCHQNDIOP-JOYOIKCWSA-N 1 0 329.194 3.124 20 5 EGBDRO C[C@@H]1CC[NH2+]CC[C@H]1Oc1cc(N2CCCCC2)ccc1[N+](=O)[O-] ZINC001218032428 1373544318 /nfs/dbraw/zinc/54/43/18/1373544318.db2.gz ZPJMZWZQLOFFJT-RHSMWYFYSA-N 1 0 333.432 3.352 20 5 EGBDRO C[C@@H]1CC[NH2+]CC[C@@H]1Oc1cnc2ccc(=O)n3c4ccccc4c1c23 ZINC001218035609 1373544342 /nfs/dbraw/zinc/54/43/42/1373544342.db2.gz ZRLURIPNWMVSJU-DYVFJYSZSA-N 1 0 347.418 3.206 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1ccc(OC[C@@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC001218073177 1373554887 /nfs/dbraw/zinc/55/48/87/1373554887.db2.gz JSEAKVWACYNLGO-INIZCTEOSA-N 1 0 340.379 3.162 20 5 EGBDRO O=[N+]([O-])c1ccc(O[C@@H]2CCC[C@@H]3C[NH2+]C[C@@H]32)c(C(F)(F)F)c1 ZINC001218144754 1373568667 /nfs/dbraw/zinc/56/86/67/1373568667.db2.gz QZAYTYOCKMNVAA-SUZMYJTESA-N 1 0 330.306 3.381 20 5 EGBDRO O=[N+]([O-])c1cc(-c2ccccc2)ccc1O[C@H]1CC[C@@H]2[NH2+]CCO[C@H]21 ZINC001218150869 1373570691 /nfs/dbraw/zinc/57/06/91/1373570691.db2.gz YUCYNSBWNBZPBP-ZYSHUDEJSA-N 1 0 340.379 3.160 20 5 EGBDRO Cc1cc(Br)cc([N+](=O)[O-])c1O[C@@H]1CC[NH2+]CC1(C)C ZINC001218316204 1373594206 /nfs/dbraw/zinc/59/42/06/1373594206.db2.gz MPBBPKYANZSGDI-GFCCVEGCSA-N 1 0 343.221 3.433 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)c(O[C@H]2C[NH2+]CCC2(F)F)c(Cl)c1 ZINC001218446247 1373614119 /nfs/dbraw/zinc/61/41/19/1373614119.db2.gz CCYWMFWCYNXULJ-VIFPVBQESA-N 1 0 327.114 3.278 20 5 EGBDRO O=[N+]([O-])c1cc([N+](=O)[O-])c(O[C@@H]2CC[C@H]3C[NH2+]C[C@H]32)c2ccccc21 ZINC001218460908 1373618682 /nfs/dbraw/zinc/61/86/82/1373618682.db2.gz OSDQMLBCWMQRMP-OWRWGESLSA-N 1 0 343.339 3.033 20 5 EGBDRO CC1(C)C[C@@H](Oc2cc(Br)ccc2[N+](=O)[O-])CC[NH2+]1 ZINC001218477422 1373621711 /nfs/dbraw/zinc/62/17/11/1373621711.db2.gz YESHWXGFHHCDKS-JTQLQIEISA-N 1 0 329.194 3.267 20 5 EGBDRO CC1(C)C[C@H](Oc2cc(Br)ccc2[N+](=O)[O-])CC[NH2+]1 ZINC001218477423 1373621873 /nfs/dbraw/zinc/62/18/73/1373621873.db2.gz YESHWXGFHHCDKS-SNVBAGLBSA-N 1 0 329.194 3.267 20 5 EGBDRO CC1(C)C[C@@H](Oc2c(Br)cc(F)cc2[N+](=O)[O-])CC[NH2+]1 ZINC001218478469 1373622007 /nfs/dbraw/zinc/62/20/07/1373622007.db2.gz YOPIDLASFGONMN-VIFPVBQESA-N 1 0 347.184 3.406 20 5 EGBDRO CC1(CC(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])CCCCC1 ZINC001131139853 1373650119 /nfs/dbraw/zinc/65/01/19/1373650119.db2.gz BGCVOCNURGDPLY-UHFFFAOYSA-N 1 0 333.432 3.161 20 5 EGBDRO Cc1cc(Cl)cc(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001131363203 1373683931 /nfs/dbraw/zinc/68/39/31/1373683931.db2.gz ZIYXQUMEJNVQCI-UHFFFAOYSA-N 1 0 347.802 3.076 20 5 EGBDRO C[N@@H+]1CCC[C@H](Oc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC001225658384 1375139808 /nfs/dbraw/zinc/13/98/08/1375139808.db2.gz GZLGARUGIXKZDP-NSHDSACASA-N 1 0 329.194 3.220 20 5 EGBDRO Cc1ccnc(O[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC001226115303 1375205268 /nfs/dbraw/zinc/20/52/68/1375205268.db2.gz AUAKBSYOJCUUQY-INIZCTEOSA-N 1 0 327.384 3.342 20 5 EGBDRO O=[N+]([O-])c1ccc(O[C@@H]2CC[N@H+](Cc3ccccc3Cl)C2)cn1 ZINC001226711784 1375315522 /nfs/dbraw/zinc/31/55/22/1375315522.db2.gz GGDRIHGVAJXHCY-CQSZACIVSA-N 1 0 333.775 3.297 20 5 EGBDRO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1Oc1ncc(F)cc1[N+](=O)[O-] ZINC001226755949 1375325619 /nfs/dbraw/zinc/32/56/19/1375325619.db2.gz NHRZLKJEMSTTRF-SUMWQHHRSA-N 1 0 345.374 3.418 20 5 EGBDRO O=[N+]([O-])c1cc(F)cnc1O[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001226755847 1375325678 /nfs/dbraw/zinc/32/56/78/1375325678.db2.gz MSYDTOQLSKHXDL-HNNXBMFYSA-N 1 0 331.347 3.172 20 5 EGBDRO C[C@H](C[N+](C)(C)C)Oc1ncc(Br)cc1C(F)(F)F ZINC001226815924 1375342007 /nfs/dbraw/zinc/34/20/07/1375342007.db2.gz CKTFJIAZNLBUIQ-MRVPVSSYSA-N 1 0 342.179 3.336 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(OC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC001227066311 1375383895 /nfs/dbraw/zinc/38/38/95/1375383895.db2.gz HRYYSSQXYSLFQB-UHFFFAOYSA-N 1 0 327.384 3.342 20 5 EGBDRO CCOC(=O)c1ccc(O[C@@H]2CCC[N@@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC001227296863 1375417613 /nfs/dbraw/zinc/41/76/13/1375417613.db2.gz GZCVFOWTYHESAX-CQSZACIVSA-N 1 0 336.388 3.023 20 5 EGBDRO COC(=O)c1cc(O[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)cc([N+](=O)[O-])c1 ZINC001228771654 1375671673 /nfs/dbraw/zinc/67/16/73/1375671673.db2.gz QLSNTXPZQDRMMJ-HALDLXJZSA-N 1 0 348.399 3.164 20 5 EGBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2 ZINC001229014781 1375737695 /nfs/dbraw/zinc/73/76/95/1375737695.db2.gz AROHTJILJVBAQP-AWEZNQCLSA-N 1 0 335.468 3.411 20 5 EGBDRO Cc1c(C)c([N+](=O)[O-])ccc1OC[C@@H]1CCC2(CC[NH+](C)CC2)O1 ZINC001229883168 1375910689 /nfs/dbraw/zinc/91/06/89/1375910689.db2.gz SWJJYKHQRWVJRB-HNNXBMFYSA-N 1 0 334.416 3.234 20 5 EGBDRO Cc1c(C)c([N+](=O)[O-])ccc1O[C@H]1CC[C@H]([NH+]2CCOCC2)CC1 ZINC001229880600 1375911290 /nfs/dbraw/zinc/91/12/90/1375911290.db2.gz HBSOQAIJMZBDIQ-WKILWMFISA-N 1 0 334.416 3.234 20 5 EGBDRO CCCCCc1cc(F)c(OC(=O)C[C@@H](O)C[N+](C)(C)C)c(F)c1 ZINC001229971244 1375923882 /nfs/dbraw/zinc/92/38/82/1375923882.db2.gz LTIJWEZHKVIQCV-CQSZACIVSA-N 1 0 344.422 3.060 20 5 EGBDRO Cc1ccc(I)cc1O[C@@H](C)C[N+](C)(C)C ZINC001234248213 1376792216 /nfs/dbraw/zinc/79/22/16/1376792216.db2.gz BQAHLPPMGYFKQK-NSHDSACASA-N 1 0 334.221 3.073 20 5 EGBDRO C[C@@H](C[N+](C)(C)C)Oc1cccc(CC(=O)OCc2ccccc2)c1 ZINC001234362368 1376820267 /nfs/dbraw/zinc/82/02/67/1376820267.db2.gz OUDHEPSVZIRJAK-KRWDZBQOSA-N 1 0 342.459 3.446 20 5 EGBDRO C[N@H+](CCCNC(=O)CC1=CCCCC1)Cc1cccc([N+](=O)[O-])c1 ZINC001235766575 1376891065 /nfs/dbraw/zinc/89/10/65/1376891065.db2.gz LRQXZSKBNZQUDK-UHFFFAOYSA-N 1 0 345.443 3.423 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC001327438937 1388519884 /nfs/dbraw/zinc/51/98/84/1388519884.db2.gz IQORQLXDJGEGJG-UHFFFAOYSA-N 1 0 346.431 3.209 20 5 EGBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cccc(C(F)F)c1 ZINC001148564129 1379212051 /nfs/dbraw/zinc/21/20/51/1379212051.db2.gz DGQWHPUCTHOUPO-UHFFFAOYSA-N 1 0 349.337 3.052 20 5 EGBDRO O=C(CCC1CCCCC1)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001149786037 1379445924 /nfs/dbraw/zinc/44/59/24/1379445924.db2.gz KNWQDXVRMIFICZ-UHFFFAOYSA-N 1 0 333.432 3.161 20 5 EGBDRO COc1cc(N(CC[NH3+])c2cccc3ccccc32)ncc1[N+](=O)[O-] ZINC001154683142 1380331344 /nfs/dbraw/zinc/33/13/44/1380331344.db2.gz HKGLORKFDIAXRW-UHFFFAOYSA-N 1 0 338.367 3.248 20 5 EGBDRO c1cnc2c(c1)ccc1ccc(NC[C@@H]3CO[C@]4(C3)CCC[NH2+]C4)nc12 ZINC001155592904 1380471126 /nfs/dbraw/zinc/47/11/26/1380471126.db2.gz URMHUGPBAFKRPC-VFNWGFHPSA-N 1 0 348.450 3.354 20 5 EGBDRO C[NH+](C)CC(C)(C)CNc1cc2ncnc(Cl)c2cc1[N+](=O)[O-] ZINC001157941895 1381076341 /nfs/dbraw/zinc/07/63/41/1381076341.db2.gz GKNKYXFADMFCDJ-UHFFFAOYSA-N 1 0 337.811 3.191 20 5 EGBDRO [NH3+]Cc1ccc2ncn(-c3nc(Cl)cc(Cl)c3[N+](=O)[O-])c2c1 ZINC001158005548 1381100422 /nfs/dbraw/zinc/10/04/22/1381100422.db2.gz ATJGADZZOKOMQL-UHFFFAOYSA-N 1 0 338.154 3.094 20 5 EGBDRO Cc1cc([N+](=O)[O-])cnc1-n1c(CCC[NH3+])nc2ccc(Cl)cc21 ZINC001158134694 1381137959 /nfs/dbraw/zinc/13/79/59/1381137959.db2.gz CMAMHFZETPUOGV-UHFFFAOYSA-N 1 0 345.790 3.182 20 5 EGBDRO CC(C)[N@@H+]1CCN(c2nc(Cl)nc3ccc([N+](=O)[O-])cc32)C[C@@H]1C ZINC001158494088 1381267310 /nfs/dbraw/zinc/26/73/10/1381267310.db2.gz ANKDFVJAIRSWPW-NSHDSACASA-N 1 0 349.822 3.110 20 5 EGBDRO [NH3+]Cc1ccc2c(n1)N(c1nc3ccccc3cc1[N+](=O)[O-])CCC2 ZINC001158651490 1381337081 /nfs/dbraw/zinc/33/70/81/1381337081.db2.gz CCTNFYLNCVBESJ-UHFFFAOYSA-N 1 0 335.367 3.081 20 5 EGBDRO O=[N+]([O-])c1cccc(Nc2cccnc2OCC2CC[NH2+]CC2)c1 ZINC001159295508 1381755354 /nfs/dbraw/zinc/75/53/54/1381755354.db2.gz XCZWZOJDBABGPF-UHFFFAOYSA-N 1 0 328.372 3.112 20 5 EGBDRO Cc1c(C)c(-n2c(-c3ccccc3)cnc2[C@H](C)[NH3+])ncc1[N+](=O)[O-] ZINC001159594855 1381841348 /nfs/dbraw/zinc/84/13/48/1381841348.db2.gz HLKKTWQMLJMSOU-ZDUSSCGKSA-N 1 0 337.383 3.479 20 5 EGBDRO O=[N+]([O-])c1ccc(Nc2ccc(N3CC[NH2+]CC3)c(Cl)c2)cc1 ZINC001159859204 1381921863 /nfs/dbraw/zinc/92/18/63/1381921863.db2.gz QRKKRVBKDFQRPU-UHFFFAOYSA-N 1 0 332.791 3.401 20 5 EGBDRO [NH3+][C@@H]1CCN(c2ccc(F)cc2Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC001160057714 1381985051 /nfs/dbraw/zinc/98/50/51/1381985051.db2.gz XWZRQRGEIUTPJB-GFCCVEGCSA-N 1 0 334.326 3.154 20 5 EGBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CCCC[NH2+]2)nc1-c1ccc(F)cc1 ZINC001160154765 1382017906 /nfs/dbraw/zinc/01/79/06/1382017906.db2.gz NIDRMZPLPSXSFI-AWEZNQCLSA-N 1 0 330.363 3.350 20 5 EGBDRO COc1ccc(Nc2ccccc2O[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC001160167144 1382023670 /nfs/dbraw/zinc/02/36/70/1382023670.db2.gz MTKARXMGGKKAFT-CYBMUJFWSA-N 1 0 329.356 3.088 20 5 EGBDRO COc1ccc(Nc2cccc(O[C@@H]3CCC[NH2+]C3)c2)c([N+](=O)[O-])c1 ZINC001160217016 1382037111 /nfs/dbraw/zinc/03/71/11/1382037111.db2.gz HJZIRBWSEUFXGU-MRXNPFEDSA-N 1 0 343.383 3.478 20 5 EGBDRO COc1ccc(Nc2ccccc2O[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC001160232885 1382042415 /nfs/dbraw/zinc/04/24/15/1382042415.db2.gz IQGBNPGHZGDECF-AWEZNQCLSA-N 1 0 343.383 3.478 20 5 EGBDRO [NH3+]Cc1ccc(Nc2cc3ccc(Cl)nc3cc2[N+](=O)[O-])cn1 ZINC001160405762 1382095759 /nfs/dbraw/zinc/09/57/59/1382095759.db2.gz MLEIGFWMLDPPDQ-UHFFFAOYSA-N 1 0 329.747 3.394 20 5 EGBDRO [NH3+]CCc1cccc(Nc2nc(Cl)nc3ccc([N+](=O)[O-])cc32)c1 ZINC001161079299 1382292147 /nfs/dbraw/zinc/29/21/47/1382292147.db2.gz SEHOEPJGTYCVPU-UHFFFAOYSA-N 1 0 343.774 3.436 20 5 EGBDRO Cc1nc(NCC2CC[NH+](Cc3ccccn3)CC2)ccc1[N+](=O)[O-] ZINC001161241131 1382351687 /nfs/dbraw/zinc/35/16/87/1382351687.db2.gz USNUGRRADQQONP-UHFFFAOYSA-N 1 0 341.415 3.017 20 5 EGBDRO O=[N+]([O-])c1ccnc(N[C@@H](c2cccc(F)c2)C2CC[NH2+]CC2)c1 ZINC001161820600 1382520291 /nfs/dbraw/zinc/52/02/91/1382520291.db2.gz MMIIZRXVWFNZLV-QGZVFWFLSA-N 1 0 330.363 3.282 20 5 EGBDRO COc1cnc(N(CC[NH3+])c2cccc3ccccc32)cc1[N+](=O)[O-] ZINC001162004999 1382596762 /nfs/dbraw/zinc/59/67/62/1382596762.db2.gz PQWYWSPNXOIKGF-UHFFFAOYSA-N 1 0 338.367 3.248 20 5 EGBDRO C[C@@H]1C[NH2+]CCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC001162455470 1382762001 /nfs/dbraw/zinc/76/20/01/1382762001.db2.gz DEYHZPPXIGMYOV-NXEZZACHSA-N 1 0 332.326 3.056 20 5 EGBDRO COc1cc(-n2cc(CC[NH3+])c3c2cccc3Cl)ncc1[N+](=O)[O-] ZINC001162653989 1382822621 /nfs/dbraw/zinc/82/26/21/1382822621.db2.gz KNIWZGZIZPGCII-UHFFFAOYSA-N 1 0 346.774 3.097 20 5 EGBDRO O=[N+]([O-])c1cc2c(Cl)ncnc2cc1NC1CC2(C1)CCC[NH2+]C2 ZINC001162981881 1382936481 /nfs/dbraw/zinc/93/64/81/1382936481.db2.gz UDGUWUDNQNUSQY-UHFFFAOYSA-N 1 0 347.806 3.136 20 5 EGBDRO CC(C)(C)c1ccc(NCC[C@@H]2CCOC23C[NH2+]C3)c([N+](=O)[O-])c1 ZINC001163095737 1382963496 /nfs/dbraw/zinc/96/34/96/1382963496.db2.gz WUUQPCNLQMFUBM-CYBMUJFWSA-N 1 0 333.432 3.073 20 5 EGBDRO COc1cccc([C@@H](C[NH3+])Nc2nccc3ccc([N+](=O)[O-])cc32)c1 ZINC001163309613 1383018377 /nfs/dbraw/zinc/01/83/77/1383018377.db2.gz NDPUEQQAJILREE-QGZVFWFLSA-N 1 0 338.367 3.264 20 5 EGBDRO CNc1cc([N+](=O)[O-])cnc1-n1c(C)c(C)c2cc(C[NH3+])ccc21 ZINC001163757639 1383118568 /nfs/dbraw/zinc/11/85/68/1383118568.db2.gz ZOJZUQZZFQKDFI-UHFFFAOYSA-N 1 0 325.372 3.051 20 5 EGBDRO Cc1c(NCc2cccc(C[NH+](C)C)c2)ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001163994616 1383144162 /nfs/dbraw/zinc/14/41/62/1383144162.db2.gz KZTIUNGRQZCVPZ-UHFFFAOYSA-N 1 0 344.371 3.485 20 5 EGBDRO C[C@H]1CC[C@H](C[NH3+])CN1c1nc2ccccc2c(Cl)c1[N+](=O)[O-] ZINC001164462846 1383189335 /nfs/dbraw/zinc/18/93/35/1383189335.db2.gz VBQUNGDTISYVSK-WDEREUQCSA-N 1 0 334.807 3.360 20 5 EGBDRO Cc1cc([N+](=O)[O-])cnc1N1C[C@H]2[C@@H](CC[N@@H+]2Cc2ccccc2)C1 ZINC001165083496 1383224068 /nfs/dbraw/zinc/22/40/68/1383224068.db2.gz GNPFVJVNFHMYCK-WMZOPIPTSA-N 1 0 338.411 3.009 20 5 EGBDRO Cc1cc([N+](=O)[O-])cnc1N1C[C@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001165200772 1383247168 /nfs/dbraw/zinc/24/71/68/1383247168.db2.gz GOLNBDMQSDFBEU-JKSUJKDBSA-N 1 0 340.427 3.397 20 5 EGBDRO Cc1cc(N2CC[C@@]3(C2)CCC[NH2+]C3)nc2ccc([N+](=O)[O-])cc12 ZINC001165236223 1383255565 /nfs/dbraw/zinc/25/55/65/1383255565.db2.gz HFDNGTDJEYMTKP-SFHVURJKSA-N 1 0 326.400 3.031 20 5 EGBDRO CCc1ccccc1C(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001165327074 1383273339 /nfs/dbraw/zinc/27/33/39/1383273339.db2.gz AOETUVBPDADFGH-UHFFFAOYSA-N 1 0 341.411 3.067 20 5 EGBDRO C[NH2+]Cc1cn(-c2nc(C)nc(Cl)c2[N+](=O)[O-])c2ccc(C)cc12 ZINC001167121623 1383544829 /nfs/dbraw/zinc/54/48/29/1383544829.db2.gz QUYAMUNAAJRXQA-UHFFFAOYSA-N 1 0 345.790 3.318 20 5 EGBDRO COC(=O)c1ccc([N+](=O)[O-])cc1NCCC[N@@H+]1CCCC[C@H]1C ZINC001167752049 1383730346 /nfs/dbraw/zinc/73/03/46/1383730346.db2.gz CCWYSTSORGVALV-CYBMUJFWSA-N 1 0 335.404 3.058 20 5 EGBDRO C[C@H]1CCCC[N@@H+]1CCCNc1ccc([N+](=O)[O-])c2c1CCN(C)C2 ZINC001167754900 1383732519 /nfs/dbraw/zinc/73/25/19/1383732519.db2.gz XHNLRRIZIKZUFG-HNNXBMFYSA-N 1 0 346.475 3.259 20 5 EGBDRO Cc1ccc([C@@H](C)Nc2ccc([N+](=O)[O-])c(OCC[NH+](C)C)c2)nc1 ZINC001168856874 1384036190 /nfs/dbraw/zinc/03/61/90/1384036190.db2.gz DCHNMQSZVMNAMX-CQSZACIVSA-N 1 0 344.415 3.412 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2cc(OC(F)(F)F)ccc2F)C1 ZINC001168968808 1384073723 /nfs/dbraw/zinc/07/37/23/1384073723.db2.gz AKYYSPOTQPBUMF-ONGXEEELSA-N 1 0 336.285 3.259 20 5 EGBDRO N[C@@H](c1ccccc1)[C@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccccc1 ZINC001168985030 1384079150 /nfs/dbraw/zinc/07/91/50/1384079150.db2.gz CEUGXWKMYRNYNX-JOCLIGHLSA-N 1 0 339.439 3.463 20 5 EGBDRO COc1ccccc1CC1(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CCC1 ZINC001168998066 1384082840 /nfs/dbraw/zinc/08/28/40/1384082840.db2.gz HUXWFAVOOXXCDR-WBVHZDCISA-N 1 0 332.444 3.443 20 5 EGBDRO COCCC1(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCC(F)(F)CC1 ZINC001168998178 1384082973 /nfs/dbraw/zinc/08/29/73/1384082973.db2.gz JDSIDDHUDMVDPH-ZIAGYGMSSA-N 1 0 334.407 3.254 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CCc2cc(Br)cs2)C1 ZINC001169003641 1384085223 /nfs/dbraw/zinc/08/52/23/1384085223.db2.gz OVEUGNMQCZCNJS-KOLCDFICSA-N 1 0 333.251 3.088 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2Cc3ccc(Br)cc3C2)C1 ZINC001169009110 1384087008 /nfs/dbraw/zinc/08/70/08/1384087008.db2.gz VOWFPROVHQVXCO-HZMBPMFUSA-N 1 0 325.206 3.210 20 5 EGBDRO C[N@H+](Cc1ccc(Br)cc1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169023883 1384092215 /nfs/dbraw/zinc/09/22/15/1384092215.db2.gz GDRDITBJKAFMSH-OCCSQVGLSA-N 1 0 327.222 3.326 20 5 EGBDRO CC[C@H]1CN(Cc2ccccc2)CC[N@@H+]1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169046823 1384099976 /nfs/dbraw/zinc/09/99/76/1384099976.db2.gz NMTNFRXBWHEYGT-GBESFXJTSA-N 1 0 331.460 3.028 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+](CCCCCCO)Cc2ccccc2)C1 ZINC001169046948 1384100196 /nfs/dbraw/zinc/10/01/96/1384100196.db2.gz PBJBARTXAHAGHB-RTBURBONSA-N 1 0 334.460 3.487 20 5 EGBDRO O=C(c1ccccc1F)C1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169057449 1384102019 /nfs/dbraw/zinc/10/20/19/1384102019.db2.gz VJPBUKBXAGSMDC-ZFWWWQNUSA-N 1 0 334.391 3.166 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+]CCc2ccccc2OC)c([N+](=O)[O-])c1 ZINC001170299219 1384284976 /nfs/dbraw/zinc/28/49/76/1384284976.db2.gz SQMGJZRNPBRABV-AWEZNQCLSA-N 1 0 344.411 3.375 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2ccc(Cl)nc2)c([N+](=O)[O-])c1 ZINC001170299185 1384285264 /nfs/dbraw/zinc/28/52/64/1384285264.db2.gz RTQBNBMBSVJYLV-LLVKDONJSA-N 1 0 335.791 3.373 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+]CCOCc2ccccc2)c([N+](=O)[O-])c1 ZINC001170297900 1384285357 /nfs/dbraw/zinc/28/53/57/1384285357.db2.gz VIKBPAMRUGOQEU-HNNXBMFYSA-N 1 0 344.411 3.341 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+]Cc2cn(CC(C)C)cn2)c([N+](=O)[O-])c1 ZINC001170323392 1384290746 /nfs/dbraw/zinc/29/07/46/1384290746.db2.gz JIZBDAVSGQVVSK-AWEZNQCLSA-N 1 0 346.431 3.177 20 5 EGBDRO COc1ccc(C[C@@H](C)[N@H+]2C[C@H]3[C@@H](C2)CCC[C@@H]3OC)c([N+](=O)[O-])c1 ZINC001170341543 1384295066 /nfs/dbraw/zinc/29/50/66/1384295066.db2.gz KIQGLUYASRUFIO-OVLVRJBISA-N 1 0 348.443 3.281 20 5 EGBDRO C[NH2+]Cc1ccc(N[C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC001170343133 1384295840 /nfs/dbraw/zinc/29/58/40/1384295840.db2.gz NXCPMZZIURWSAF-CYBMUJFWSA-N 1 0 329.400 3.366 20 5 EGBDRO COc1ccc(C[C@H](C)N2CCn3cccc3[C@H]2C)c([N+](=O)[O-])c1 ZINC001170352799 1384297944 /nfs/dbraw/zinc/29/79/44/1384297944.db2.gz QPWWUALNXLBIEO-UONOGXRCSA-N 1 0 329.400 3.413 20 5 EGBDRO COc1cccc(-n2c(-c3ccccc3)cnc2[C@H](C)[NH3+])c1[N+](=O)[O-] ZINC001170681455 1384364411 /nfs/dbraw/zinc/36/44/11/1384364411.db2.gz GCGHCBLCCOYHON-LBPRGKRZSA-N 1 0 338.367 3.476 20 5 EGBDRO [NH3+][C@@H]1CCc2c3ccccc3n(-c3ccc4nc[nH]c4c3[N+](=O)[O-])c2C1 ZINC001171101403 1384445947 /nfs/dbraw/zinc/44/59/47/1384445947.db2.gz ZORPYGGXGFDLPJ-LLVKDONJSA-N 1 0 347.378 3.231 20 5 EGBDRO COc1ncccc1C[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172898765 1384873533 /nfs/dbraw/zinc/87/35/33/1384873533.db2.gz JDFYHWOVNMGZGV-INIZCTEOSA-N 1 0 327.384 3.036 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@@H]1COc3ccccc3C1)CC2 ZINC001172895292 1384873609 /nfs/dbraw/zinc/87/36/09/1384873609.db2.gz BSSVWGGBOGHXEH-ROUUACIJSA-N 1 0 338.407 3.436 20 5 EGBDRO COc1ncccc1C[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172898767 1384873875 /nfs/dbraw/zinc/87/38/75/1384873875.db2.gz JDFYHWOVNMGZGV-MRXNPFEDSA-N 1 0 327.384 3.036 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]C1CCC(CCO)CC1)CC2 ZINC001172904024 1384874671 /nfs/dbraw/zinc/87/46/71/1384874671.db2.gz VEMSAPDMDGMFHL-UYJHFMRCSA-N 1 0 332.444 3.373 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]Cc1cccc(CCO)c1)CC2 ZINC001172904003 1384874686 /nfs/dbraw/zinc/87/46/86/1384874686.db2.gz UTRBYEDDLAPVGX-IBGZPJMESA-N 1 0 340.423 3.167 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@H+](CCO)Cc1cccs1)CC2 ZINC001172909885 1384876438 /nfs/dbraw/zinc/87/64/38/1384876438.db2.gz JWBQDZMMULMHCL-INIZCTEOSA-N 1 0 346.452 3.398 20 5 EGBDRO COC(=O)C[C@H]1CCC[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172919623 1384879313 /nfs/dbraw/zinc/87/93/13/1384879313.db2.gz GWZAGGANNHDHIW-PBHICJAKSA-N 1 0 346.427 3.117 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]Cc2nc(C)oc2C)c1F ZINC001173174949 1384931138 /nfs/dbraw/zinc/93/11/38/1384931138.db2.gz HGQKNDUXRSRPBL-SECBINFHSA-N 1 0 337.351 3.068 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CCCc2ccncc2)c1F ZINC001173176581 1384931699 /nfs/dbraw/zinc/93/16/99/1384931699.db2.gz IVNWARFPBKOMPW-ZDUSSCGKSA-N 1 0 347.390 3.291 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]COc2ccccc2)c1F ZINC001173185643 1384932394 /nfs/dbraw/zinc/93/23/94/1384932394.db2.gz BSCBFELKMIMIBR-GFCCVEGCSA-N 1 0 334.347 3.300 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2CC[C@@]3(CC3(F)F)C2)c1F ZINC001173188520 1384933690 /nfs/dbraw/zinc/93/36/90/1384933690.db2.gz GIFOLCYOKFYYAY-MEBBXXQBSA-N 1 0 344.333 3.405 20 5 EGBDRO COC(=O)C12CCC([NH2+][C@H](C)Cc3ccc([N+](=O)[O-])cc3)(CC1)CC2 ZINC001173209278 1384936658 /nfs/dbraw/zinc/93/66/58/1384936658.db2.gz AYIUOTUAZJCWPK-FTXHTYHOSA-N 1 0 346.427 3.381 20 5 EGBDRO CC(=O)N(C)c1cccc(C[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001173213118 1384937009 /nfs/dbraw/zinc/93/70/09/1384937009.db2.gz FNKWBTUTQBBCJF-AWEZNQCLSA-N 1 0 341.411 3.298 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)CNC(=O)OC(C)(C)C ZINC001173214677 1384937065 /nfs/dbraw/zinc/93/70/65/1384937065.db2.gz DPJYTUMVMUUUCM-OLZOCXBDSA-N 1 0 337.420 3.029 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cc(Br)no1 ZINC001173213279 1384937276 /nfs/dbraw/zinc/93/72/76/1384937276.db2.gz HNODZAKCBIOEAH-SECBINFHSA-N 1 0 340.177 3.066 20 5 EGBDRO CSCC[C@@H]([NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1)C(C)(C)O ZINC001173215854 1384937512 /nfs/dbraw/zinc/93/75/12/1384937512.db2.gz FOXBCOCUMIKYOC-SWLSCSKDSA-N 1 0 326.462 3.008 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCN(C)Cc1ccccc1 ZINC001173217967 1384937516 /nfs/dbraw/zinc/93/75/16/1384937516.db2.gz NUZNOTWFXQBTCA-INIZCTEOSA-N 1 0 327.428 3.247 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1nnc(-c2ccccc2)o1 ZINC001173215797 1384937526 /nfs/dbraw/zinc/93/75/26/1384937526.db2.gz ZXEAHXSZKGLULZ-ZDUSSCGKSA-N 1 0 338.367 3.366 20 5 EGBDRO CC(C)[C@H]1[NH2+]CCc2ncn([C@@H](C)Cc3ccc([N+](=O)[O-])cc3)c21 ZINC001173231041 1384940631 /nfs/dbraw/zinc/94/06/31/1384940631.db2.gz JBEDAUBODIRYGJ-SUMWQHHRSA-N 1 0 328.416 3.438 20 5 EGBDRO COC(=O)Cc1cccc(C[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001173229732 1384940832 /nfs/dbraw/zinc/94/08/32/1384940832.db2.gz PVQVWAQZKYOVGK-CQSZACIVSA-N 1 0 342.395 3.031 20 5 EGBDRO Cc1ccnc(N2CC[NH+]([C@@H](C)Cc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC001173233310 1384941703 /nfs/dbraw/zinc/94/17/03/1384941703.db2.gz KSDOXVCUSKNWAO-INIZCTEOSA-N 1 0 340.427 3.051 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](Oc2ccncc2)C1 ZINC001173231961 1384941671 /nfs/dbraw/zinc/94/16/71/1384941671.db2.gz DQNTXAHGRKOBLL-KDOFPFPSSA-N 1 0 327.384 3.074 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[C@H]([NH+]2CCCCC2)[C@@H](F)C1 ZINC001173238973 1384942562 /nfs/dbraw/zinc/94/25/62/1384942562.db2.gz YWTKNEICWFYSQY-SNRMKQJTSA-N 1 0 349.450 3.424 20 5 EGBDRO O=C(NCCC[NH2+]Cc1ccccc1[N+](=O)[O-])C12CCC(CC1)CC2 ZINC001176698458 1385663000 /nfs/dbraw/zinc/66/30/00/1385663000.db2.gz RDYLMTRKWBRGDZ-UHFFFAOYSA-N 1 0 345.443 3.161 20 5 EGBDRO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC001318399010 1385671144 /nfs/dbraw/zinc/67/11/44/1385671144.db2.gz WMUZAWJCCRKNES-UONOGXRCSA-N 1 0 347.440 3.412 20 5 EGBDRO C/C=C(\C)C(=O)NCCCCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001178144948 1386142351 /nfs/dbraw/zinc/14/23/51/1386142351.db2.gz ZUYZSXPCGMWRKI-QLKAYGNNSA-N 1 0 339.461 3.389 20 5 EGBDRO C[C@H](C[NH+]1CCC(C)CC1)c1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001322293940 1387144976 /nfs/dbraw/zinc/14/49/76/1387144976.db2.gz HTTWPEYMHDUTED-CYBMUJFWSA-N 1 0 330.388 3.480 20 5 EGBDRO CCO[C@@H]1CCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Br ZINC001330607952 1389468121 /nfs/dbraw/zinc/46/81/21/1389468121.db2.gz RIPPELPHUCLKTA-ZIAGYGMSSA-N 1 0 343.221 3.405 20 5 EGBDRO C[C@@]1(CO)CCC[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001331043875 1389607865 /nfs/dbraw/zinc/60/78/65/1389607865.db2.gz XVRNLRIHKSQPJL-CQSZACIVSA-N 1 0 332.322 3.208 20 5 EGBDRO C[NH+](C)C[C@H]1CCCN(c2cccc(C(F)(F)F)c2[N+](=O)[O-])C1 ZINC001331540894 1389790374 /nfs/dbraw/zinc/79/03/74/1389790374.db2.gz GDTICUMGUHXZNE-LLVKDONJSA-N 1 0 331.338 3.392 20 5 EGBDRO CC[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001335412711 1390681467 /nfs/dbraw/zinc/68/14/67/1390681467.db2.gz JUQVSTSBQAWVGP-FUHWJXTLSA-N 1 0 332.375 3.378 20 5 EGBDRO C[NH+](C)C[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c3ccccc23)C1 ZINC001344853052 1390819420 /nfs/dbraw/zinc/81/94/20/1390819420.db2.gz GRMOOALKTCHSSF-ZDUSSCGKSA-N 1 0 342.399 3.163 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H]2C[C@@H]2c2nc([C@@H]3C[NH+]4CCC3CC4)no2)c1 ZINC001345148142 1390841534 /nfs/dbraw/zinc/84/15/34/1390841534.db2.gz GLWWQXCETLIIRT-HRCADAONSA-N 1 0 340.383 3.058 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC(CCC[NH+](C)C)CC2)c1C ZINC001350362767 1391453496 /nfs/dbraw/zinc/45/34/96/1391453496.db2.gz QRTIHUINNUNVNR-UHFFFAOYSA-N 1 0 347.459 3.406 20 5 EGBDRO CC[N@H+](CCCNC(=O)c1ccoc1C)Cc1cccc([N+](=O)[O-])c1 ZINC001752167368 1440149434 /nfs/dbraw/zinc/14/94/34/1440149434.db2.gz WLFAKKFWCKVSNI-UHFFFAOYSA-N 1 0 345.399 3.138 20 5 EGBDRO CC[C@H]1CC[C@H](C(=O)N(C)CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001753253475 1440343418 /nfs/dbraw/zinc/34/34/18/1440343418.db2.gz NBOSQAURADFCRE-JCNLHEQBSA-N 1 0 347.459 3.359 20 5 EGBDRO CC/C=C(/C)C(=O)NC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CCCC1 ZINC001753501544 1440423502 /nfs/dbraw/zinc/42/35/02/1440423502.db2.gz PLDCYELXPNGNSC-NVNXTCNLSA-N 1 0 345.443 3.470 20 5 EGBDRO CC[C@@](C)([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1nc(C)cs1 ZINC000154599355 529506259 /nfs/dbraw/zinc/50/62/59/529506259.db2.gz ZGKRCSZWEINCLN-GOEBONIOSA-N 1 0 335.429 3.308 20 5 EGBDRO C[N@H+](CCCNC(=O)c1ccc(F)cc1[N+](=O)[O-])C1CCCCC1 ZINC000132612109 529891666 /nfs/dbraw/zinc/89/16/66/529891666.db2.gz HNZFZEYLIAANPY-UHFFFAOYSA-N 1 0 337.395 3.118 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)NC2CCCCC2)cc1[N+](=O)[O-] ZINC000178690980 232383271 /nfs/dbraw/zinc/38/32/71/232383271.db2.gz UDUHVCJZAAFBRE-UONOGXRCSA-N 1 0 333.432 3.391 20 5 EGBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000068134314 215281014 /nfs/dbraw/zinc/28/10/14/215281014.db2.gz JBDIVOAGDLCWDA-VEGGFIAOSA-N 1 0 343.427 3.085 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H](Cc2ccccc2)C2CC2)c1 ZINC000183419174 235062491 /nfs/dbraw/zinc/06/24/91/235062491.db2.gz MJRQAXCNEKQJCW-RTBURBONSA-N 1 0 326.396 3.239 20 5 EGBDRO CC[NH+]1CCC(Nc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000035014098 213003227 /nfs/dbraw/zinc/00/32/27/213003227.db2.gz LBPMOIDITJVMIT-UHFFFAOYSA-N 1 0 328.210 3.254 20 5 EGBDRO C[C@H]1CCSCC[N@@H+]1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000191813652 239313532 /nfs/dbraw/zinc/31/35/32/239313532.db2.gz DEOAYDFRFQSEAZ-ZDUSSCGKSA-N 1 0 346.456 3.323 20 5 EGBDRO C[C@H](NC(=O)NC1CC[NH+](C(C)(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000193831841 240326845 /nfs/dbraw/zinc/32/68/45/240326845.db2.gz RZCNMKIVJLJOPB-ZDUSSCGKSA-N 1 0 348.447 3.218 20 5 EGBDRO CC(C)c1ccc([C@@H]([NH3+])CNC(=O)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000236721070 242333793 /nfs/dbraw/zinc/33/37/93/242333793.db2.gz TYEXJALRPTZAQH-KRWDZBQOSA-N 1 0 341.411 3.077 20 5 EGBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C[C@H]([NH3+])c1ccccc1 ZINC000236797074 242359381 /nfs/dbraw/zinc/35/93/81/242359381.db2.gz NZFWVEUPVADMLC-SFHVURJKSA-N 1 0 341.411 3.422 20 5 EGBDRO CC[NH+](CC)CC1CCN(C(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000049075771 213985491 /nfs/dbraw/zinc/98/54/91/213985491.db2.gz OTFOXWCFUHMZKM-UHFFFAOYSA-N 1 0 333.432 3.097 20 5 EGBDRO C[C@@H](CC[NH+](C)C)NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000264937947 247063053 /nfs/dbraw/zinc/06/30/53/247063053.db2.gz DXZNPGGUSRLXTN-LBPRGKRZSA-N 1 0 334.445 3.148 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCO[C@@H]4CCC[C@H]43)o2)c1 ZINC000265120826 247222344 /nfs/dbraw/zinc/22/23/44/247222344.db2.gz JXUSLBUHQPDDKL-HZPDHXFCSA-N 1 0 343.383 3.046 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)c1 ZINC000266018290 248033886 /nfs/dbraw/zinc/03/38/86/248033886.db2.gz BGTXOGKGUSGTRC-OAHLLOKOSA-N 1 0 333.432 3.145 20 5 EGBDRO COc1ccc(C[N@@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000378401833 169115134 /nfs/dbraw/zinc/11/51/34/169115134.db2.gz LDZNQGBJBHABIU-HOCLYGCPSA-N 1 0 334.416 3.242 20 5 EGBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(c2c3c(ccc2[N+](=O)[O-])NCC3)C1 ZINC000408406057 169175055 /nfs/dbraw/zinc/17/50/55/169175055.db2.gz PIFFXHQYXKYVMD-RBSFLKMASA-N 1 0 344.459 3.404 20 5 EGBDRO Cc1noc([C@@H]2CCC[N@H+](C/C=C/c3ccccc3[N+](=O)[O-])C2)n1 ZINC000091832314 218072475 /nfs/dbraw/zinc/07/24/75/218072475.db2.gz FCNOMNCONLJIFK-NFBGWVBBSA-N 1 0 328.372 3.179 20 5 EGBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)C1 ZINC000091984098 218098313 /nfs/dbraw/zinc/09/83/13/218098313.db2.gz OADZIUSXQVCUKF-INIZCTEOSA-N 1 0 347.459 3.324 20 5 EGBDRO O=[N+]([O-])c1cnc(NCC[NH+]2CCCCCC2)c(Br)c1 ZINC000093433938 218226015 /nfs/dbraw/zinc/22/60/15/218226015.db2.gz CKCQXPMKMVVSGE-UHFFFAOYSA-N 1 0 343.225 3.040 20 5 EGBDRO Cc1ccc(C[NH+]2CCC(OC[C@@H]3CCCCO3)CC2)cc1[N+](=O)[O-] ZINC000093842132 218254126 /nfs/dbraw/zinc/25/41/26/218254126.db2.gz FKAUWPHOPQAZRH-SFHVURJKSA-N 1 0 348.443 3.453 20 5 EGBDRO Cc1cc(NC(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)ccc1[N+](=O)[O-] ZINC000153631330 224133936 /nfs/dbraw/zinc/13/39/36/224133936.db2.gz GDNVEXYQGLIIMD-CQSZACIVSA-N 1 0 334.420 3.003 20 5 EGBDRO Cc1c(C[N@@H+]2CCC[C@H](CNC(=O)C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000112700707 220377357 /nfs/dbraw/zinc/37/73/57/220377357.db2.gz QGQUWGKEBDQQRW-OAHLLOKOSA-N 1 0 347.459 3.278 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000130503554 285162456 /nfs/dbraw/zinc/16/24/56/285162456.db2.gz UNBAMJXZVSNLPK-LMSBXDPUSA-N 1 0 332.444 3.447 20 5 EGBDRO O=[N+]([O-])c1ccc(NCC[C@@H]2CCC[NH2+]C2)c(Br)c1 ZINC000113254297 220498674 /nfs/dbraw/zinc/49/86/74/220498674.db2.gz VPJLDTKGZPAAPC-JTQLQIEISA-N 1 0 328.210 3.159 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCS[C@H](C)[C@@H]1C ZINC000118419401 221147855 /nfs/dbraw/zinc/14/78/55/221147855.db2.gz XIFFKVSOWDWCHY-QWHCGFSZSA-N 1 0 337.445 3.058 20 5 EGBDRO CC(C)n1cnnc1[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000118861623 221199081 /nfs/dbraw/zinc/19/90/81/221199081.db2.gz XOPVGNKUBBNEJA-OAHLLOKOSA-N 1 0 329.404 3.147 20 5 EGBDRO Cc1ccc([C@H](C)NC(=O)C[C@H]([NH3+])c2ccccc2)cc1[N+](=O)[O-] ZINC000119381548 221308511 /nfs/dbraw/zinc/30/85/11/221308511.db2.gz LISMFASLTQANHD-BBRMVZONSA-N 1 0 327.384 3.171 20 5 EGBDRO COC(=O)C1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000159202459 533295889 /nfs/dbraw/zinc/29/58/89/533295889.db2.gz ZRQQASZKCSUPOZ-UHFFFAOYSA-N 1 0 344.367 3.240 20 5 EGBDRO C[C@@H]([NH2+][C@H](C)C1CCOCC1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000179857507 533532311 /nfs/dbraw/zinc/53/23/11/533532311.db2.gz TXJAXKJNQAWVEC-VXGBXAGGSA-N 1 0 346.387 3.111 20 5 EGBDRO COc1ccc(C[NH2+][C@H](C)c2ccc([S@@](C)=O)cc2)cc1[N+](=O)[O-] ZINC000339499046 141123268 /nfs/dbraw/zinc/12/32/68/141123268.db2.gz BHYLWRLZNRXDOA-OIRASMEMSA-N 1 0 348.424 3.192 20 5 EGBDRO CC[C@@H]1CCC[C@H]1[NH2+][C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000348159581 141241327 /nfs/dbraw/zinc/24/13/27/141241327.db2.gz KEEUNCDBERKFNH-YRGRVCCFSA-N 1 0 335.404 3.099 20 5 EGBDRO CCC[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H](C)c1ccccc1OC ZINC000350724279 141263322 /nfs/dbraw/zinc/26/33/22/141263322.db2.gz JRCNGQSRLSIWEW-AWEZNQCLSA-N 1 0 332.404 3.273 20 5 EGBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000172481110 144021845 /nfs/dbraw/zinc/02/18/45/144021845.db2.gz ZJJXBOKUTSNGGA-MBNYWOFBSA-N 1 0 335.404 3.099 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000175253421 144061193 /nfs/dbraw/zinc/06/11/93/144061193.db2.gz UUPJQSSZKWRWPY-QGZVFWFLSA-N 1 0 347.459 3.444 20 5 EGBDRO C[C@H]([NH2+][C@H]1CC(=O)N(c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000178651010 144073653 /nfs/dbraw/zinc/07/36/53/144073653.db2.gz BIVKTKVCJXHFNZ-ZFWWWQNUSA-N 1 0 325.368 3.051 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CC[C@H](c3c(F)cccc3F)C2)c1 ZINC000185331964 144111005 /nfs/dbraw/zinc/11/10/05/144111005.db2.gz JHDNTFQEEQOZLY-GUYCJALGSA-N 1 0 348.349 3.396 20 5 EGBDRO CCn1nc(C)c([N+](=O)[O-])c1NCC1CC[NH+](CCC(C)C)CC1 ZINC000192670710 144177469 /nfs/dbraw/zinc/17/74/69/144177469.db2.gz MPCMCUZVVAITSR-UHFFFAOYSA-N 1 0 337.468 3.290 20 5 EGBDRO C[C@H]1[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CCC12CCOCC2 ZINC000363793386 144368151 /nfs/dbraw/zinc/36/81/51/144368151.db2.gz IFOMIRRDTXXWLT-GFCCVEGCSA-N 1 0 331.372 3.127 20 5 EGBDRO CC[C@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccccc1 ZINC000341226925 155213901 /nfs/dbraw/zinc/21/39/01/155213901.db2.gz IBDHSGYIRCRQSX-ROUUACIJSA-N 1 0 339.395 3.441 20 5 EGBDRO COc1ccc(NC(=O)C[N@@H+]2CCCC[C@H]2C(C)C)c([N+](=O)[O-])c1 ZINC000117347332 152096791 /nfs/dbraw/zinc/09/67/91/152096791.db2.gz WVXSDRRTZCMVJX-HNNXBMFYSA-N 1 0 335.404 3.052 20 5 EGBDRO COc1ccc(-c2ccc(C[NH2+][C@]3(C)CCOC3)o2)c([N+](=O)[O-])c1 ZINC000120207532 152260065 /nfs/dbraw/zinc/26/00/65/152260065.db2.gz GNLMXGAIKQEODI-QGZVFWFLSA-N 1 0 332.356 3.132 20 5 EGBDRO Cc1cc(NCC[C@H]2CC[NH2+]C2)c(Br)cc1[N+](=O)[O-] ZINC000235886302 153450239 /nfs/dbraw/zinc/45/02/39/153450239.db2.gz KBDITPDKEVFBNK-SNVBAGLBSA-N 1 0 328.210 3.077 20 5 EGBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000302999032 154034021 /nfs/dbraw/zinc/03/40/21/154034021.db2.gz MMDNZJJLRZEQLS-MGPQQGTHSA-N 1 0 334.420 3.083 20 5 EGBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000310423408 154141384 /nfs/dbraw/zinc/14/13/84/154141384.db2.gz LKLJDIQPQRJWHN-CYBMUJFWSA-N 1 0 331.420 3.052 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc3c(c2)oc(=O)n3C)cc1[N+](=O)[O-] ZINC000352643175 156395597 /nfs/dbraw/zinc/39/55/97/156395597.db2.gz LKSDBLANMNTSET-GFCCVEGCSA-N 1 0 341.367 3.199 20 5 EGBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000362081278 157014040 /nfs/dbraw/zinc/01/40/40/157014040.db2.gz VWFSTQACBLLPED-OLZOCXBDSA-N 1 0 349.456 3.063 20 5 EGBDRO CCOc1ccc([C@H](C)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000372449963 157333357 /nfs/dbraw/zinc/33/33/57/157333357.db2.gz OBAYXWJYPLNRFM-BPUTZDHNSA-N 1 0 333.432 3.271 20 5 EGBDRO C[C@@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccccc1 ZINC000109146841 162095271 /nfs/dbraw/zinc/09/52/71/162095271.db2.gz VTMKLSHDCXEGRS-CXAGYDPISA-N 1 0 325.368 3.051 20 5 EGBDRO COc1ccc(-c2ccc(C[NH2+][C@H]3CCCC[C@@H]3O)o2)c([N+](=O)[O-])c1 ZINC000114215877 162224854 /nfs/dbraw/zinc/22/48/54/162224854.db2.gz RYWZTGWWBFOXPS-RDJZCZTQSA-N 1 0 346.383 3.257 20 5 EGBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(OC(F)(F)F)cc1 ZINC000130984919 162386445 /nfs/dbraw/zinc/38/64/45/162386445.db2.gz SFEMWCQSPLAVBM-SNVBAGLBSA-N 1 0 344.293 3.041 20 5 EGBDRO O=[N+]([O-])c1ccccc1OCCN1CCOc2cccc(F)c2C1 ZINC000338328385 163213146 /nfs/dbraw/zinc/21/31/46/163213146.db2.gz RTLHXPJGWXABLR-UHFFFAOYSA-N 1 0 332.331 3.007 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]Cc1ccc(Cn2cncn2)cc1 ZINC000338711866 163327750 /nfs/dbraw/zinc/32/77/50/163327750.db2.gz CSILXOMXBNVAMF-HWKANZROSA-N 1 0 349.394 3.038 20 5 EGBDRO CN(CCC[N@H+](C)Cc1ccco1)c1ncc([N+](=O)[O-])cc1Cl ZINC000343806438 164039965 /nfs/dbraw/zinc/03/99/65/164039965.db2.gz JXJSFRAOMQOXEX-UHFFFAOYSA-N 1 0 338.795 3.195 20 5 EGBDRO Cc1c(C(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000344151123 164114832 /nfs/dbraw/zinc/11/48/32/164114832.db2.gz MYYSELWPLHTYHN-FZKQIMNGSA-N 1 0 333.432 3.144 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)CC(=O)OC(C)(C)C ZINC000344216313 164128730 /nfs/dbraw/zinc/12/87/30/164128730.db2.gz INWPBQARFVFEMC-LBPRGKRZSA-N 1 0 338.404 3.203 20 5 EGBDRO C[C@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@H]1CCCOC1 ZINC000348135586 164645181 /nfs/dbraw/zinc/64/51/81/164645181.db2.gz JPHCLNOSPVDCJG-ZFWWWQNUSA-N 1 0 345.399 3.197 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(Oc2ccccn2)CC1 ZINC000349970914 164983983 /nfs/dbraw/zinc/98/39/83/164983983.db2.gz RGHWKEIPSWVDQH-UHFFFAOYSA-N 1 0 327.384 3.342 20 5 EGBDRO C[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1F)[N@@H+]1CCCC[C@@H]1C ZINC000351653873 165117922 /nfs/dbraw/zinc/11/79/22/165117922.db2.gz DAZPLHGLTGJEOX-NWDGAFQWSA-N 1 0 338.383 3.118 20 5 EGBDRO O=[N+]([O-])c1cccc(OC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c1 ZINC000351904912 165143849 /nfs/dbraw/zinc/14/38/49/165143849.db2.gz RCYPPMKILQKWNZ-IBGZPJMESA-N 1 0 342.395 3.265 20 5 EGBDRO O=[N+]([O-])c1cc(F)c(CN2CC[C@H](C[NH+]3CCCCC3)C2)c(F)c1 ZINC000352050633 165211427 /nfs/dbraw/zinc/21/14/27/165211427.db2.gz SSHWVBYEVHSELR-CYBMUJFWSA-N 1 0 339.386 3.181 20 5 EGBDRO CC(C)(C)[C@H]1NC(=O)CC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000353145707 165647050 /nfs/dbraw/zinc/64/70/50/165647050.db2.gz XJNOSIQDQXTVKZ-HIFRSBDPSA-N 1 0 339.823 3.031 20 5 EGBDRO C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C1CC(O)C1 ZINC000355369414 166176873 /nfs/dbraw/zinc/17/68/73/166176873.db2.gz QTTJTLKKTZWJLK-UHFFFAOYSA-N 1 0 336.775 3.463 20 5 EGBDRO C[C@H](C[NH+]1CCCCCC1)NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000359323179 167124978 /nfs/dbraw/zinc/12/49/78/167124978.db2.gz PVFHEZLQYVEMEK-CYBMUJFWSA-N 1 0 344.415 3.070 20 5 EGBDRO CC[C@H](C)[NH2+][C@H](CNC(=O)c1cc(C)cc([N+](=O)[O-])c1)c1ccco1 ZINC000359567022 167197009 /nfs/dbraw/zinc/19/70/09/167197009.db2.gz WGGRWWJJDMHFFG-XJKSGUPXSA-N 1 0 345.399 3.355 20 5 EGBDRO C[C@@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC12CCCCC2 ZINC000360630454 167373858 /nfs/dbraw/zinc/37/38/58/167373858.db2.gz WGMXBVJMYGHUCM-CQSZACIVSA-N 1 0 345.443 3.486 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2noc(C[NH+]3CCC4(CCC4)CC3)n2)c1 ZINC000367585127 168245409 /nfs/dbraw/zinc/24/54/09/168245409.db2.gz LPQUSEJACLVIQS-UHFFFAOYSA-N 1 0 328.372 3.411 20 5 EGBDRO C[C@@](O)(C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccccc1 ZINC000169129868 226233155 /nfs/dbraw/zinc/23/31/55/226233155.db2.gz WAIJULKKDGGZSG-AZUAARDMSA-N 1 0 340.423 3.413 20 5 EGBDRO COc1ccc(OCC[N@H+](C)Cc2ccc(C)s2)c([N+](=O)[O-])c1 ZINC000173640287 264993429 /nfs/dbraw/zinc/99/34/29/264993429.db2.gz UVGYKKPLFCQWQS-UHFFFAOYSA-N 1 0 336.413 3.484 20 5 EGBDRO COc1ccc([C@H]2CCCCC[N@@H+]2CCn2ccc([N+](=O)[O-])n2)cc1 ZINC000176199039 265162643 /nfs/dbraw/zinc/16/26/43/265162643.db2.gz KIOMENGJGFVTNK-QGZVFWFLSA-N 1 0 344.415 3.417 20 5 EGBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)c1 ZINC000189313111 265752071 /nfs/dbraw/zinc/75/20/71/265752071.db2.gz MWODITGPTSMNAZ-UHFFFAOYSA-N 1 0 348.712 3.253 20 5 EGBDRO CCOC(=O)[C@](C)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000191636102 265922951 /nfs/dbraw/zinc/92/29/51/265922951.db2.gz TVSLGBWYPDQKLO-LJQANCHMSA-N 1 0 342.395 3.205 20 5 EGBDRO CSC1(C[NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)CCC1 ZINC000193804461 266062693 /nfs/dbraw/zinc/06/26/93/266062693.db2.gz HEMHHLFYPMYACB-LBPRGKRZSA-N 1 0 337.445 3.187 20 5 EGBDRO Cc1cccnc1[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000269621958 266327930 /nfs/dbraw/zinc/32/79/30/266327930.db2.gz BKCBVEMOAMXCQZ-DLBZAZTESA-N 1 0 329.400 3.319 20 5 EGBDRO CC[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H](C)c1cccc(O)c1 ZINC000269628090 266329141 /nfs/dbraw/zinc/32/91/41/266329141.db2.gz DGFHNKYNYCUUTF-ACJLOTCBSA-N 1 0 330.384 3.417 20 5 EGBDRO COc1ccccc1C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000269662272 266336090 /nfs/dbraw/zinc/33/60/90/266336090.db2.gz KBVWLKMCMDUSOV-GOSISDBHSA-N 1 0 342.395 3.301 20 5 EGBDRO COc1ccc([C@H](C)[N@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000269684132 266340887 /nfs/dbraw/zinc/34/08/87/266340887.db2.gz SBTITPCELZWKHU-SCLBCKFNSA-N 1 0 330.384 3.330 20 5 EGBDRO CC(C)C[N@@H+]1Cc2cccc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)c2C1 ZINC000271136134 266608362 /nfs/dbraw/zinc/60/83/62/266608362.db2.gz MQYWHYGZBGBZGW-UHFFFAOYSA-N 1 0 328.372 3.147 20 5 EGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCCOCCOC ZINC000271178283 266614961 /nfs/dbraw/zinc/61/49/61/266614961.db2.gz VJBKKILXAXUGBQ-AWEZNQCLSA-N 1 0 342.461 3.108 20 5 EGBDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000273499425 267048765 /nfs/dbraw/zinc/04/87/65/267048765.db2.gz UVPQJPYJZBSSSZ-GFCCVEGCSA-N 1 0 338.383 3.120 20 5 EGBDRO C[NH+](C)CCc1ccc(CNC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000276027419 267466282 /nfs/dbraw/zinc/46/62/82/267466282.db2.gz DKRZTBPMHMDYQF-UHFFFAOYSA-N 1 0 342.399 3.021 20 5 EGBDRO CC(C)(CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)C[NH+]1CCCC1 ZINC000276901615 267650417 /nfs/dbraw/zinc/65/04/17/267650417.db2.gz SLONGLAVYMAZIR-UHFFFAOYSA-N 1 0 339.823 3.100 20 5 EGBDRO CN(CC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)CC(F)(F)F ZINC000278847958 275280496 /nfs/dbraw/zinc/28/04/96/275280496.db2.gz VINKVEBINVYTQK-CQSZACIVSA-N 1 0 331.338 3.056 20 5 EGBDRO C[C@@](O)(C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C(F)(F)F ZINC000279086695 275302668 /nfs/dbraw/zinc/30/26/68/275302668.db2.gz NCPBOOSNRVLBKX-GXTWGEPZSA-N 1 0 332.322 3.220 20 5 EGBDRO Cc1cc(NCC2([S@@](C)=O)CCC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000280502856 275458121 /nfs/dbraw/zinc/45/81/21/275458121.db2.gz CHHNILGXQPXYGZ-HSZRJFAPSA-N 1 0 333.413 3.165 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N(C)CCC[NH+]1CCCC1 ZINC000281581144 275560480 /nfs/dbraw/zinc/56/04/80/275560480.db2.gz BKSRWSBJEVOEGH-UHFFFAOYSA-N 1 0 333.432 3.078 20 5 EGBDRO CC(C)(C)c1ccc(C(=O)N2CCC[C@@H](CC[NH3+])C2)cc1[N+](=O)[O-] ZINC000281901014 275586938 /nfs/dbraw/zinc/58/69/38/275586938.db2.gz HWNJICRLRQVWOB-ZDUSSCGKSA-N 1 0 333.432 3.093 20 5 EGBDRO [NH3+]CC[C@@H]1CCCCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000285883193 275922799 /nfs/dbraw/zinc/92/27/99/275922799.db2.gz CBKZXCHWUMOROT-LBPRGKRZSA-N 1 0 333.413 3.153 20 5 EGBDRO CNC(=O)CC[C@@H]1CCCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000286467453 276004426 /nfs/dbraw/zinc/00/44/26/276004426.db2.gz NKMYYAAJLULYCL-ZDUSSCGKSA-N 1 0 339.823 3.129 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000286594353 276020632 /nfs/dbraw/zinc/02/06/32/276020632.db2.gz QTMZIQHWJYZUEN-YWPYICTPSA-N 1 0 346.349 3.457 20 5 EGBDRO CCOc1cc(CN2CC[C@@H]([NH+]3CCCC3)[C@H]2C)ccc1[N+](=O)[O-] ZINC000286785255 276043195 /nfs/dbraw/zinc/04/31/95/276043195.db2.gz HRYOCDDYAHVYRN-GDBMZVCRSA-N 1 0 333.432 3.052 20 5 EGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](OCc2ccncc2)C1 ZINC000287669853 276145695 /nfs/dbraw/zinc/14/56/95/276145695.db2.gz HNYSIQSDWYEPQA-GOEBONIOSA-N 1 0 327.384 3.342 20 5 EGBDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(N)cc1[N+](=O)[O-] ZINC000288369113 276207131 /nfs/dbraw/zinc/20/71/31/276207131.db2.gz LDLOAIXHLFVTTL-MRXNPFEDSA-N 1 0 340.427 3.135 20 5 EGBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]C[C@H]2CCCSC2)c1 ZINC000288411105 276211205 /nfs/dbraw/zinc/21/12/05/276211205.db2.gz IWSOIXGFVDKAMM-SNVBAGLBSA-N 1 0 332.372 3.429 20 5 EGBDRO COc1ccc(OCC[N@@H+]2CCCc3occc3C2)c([N+](=O)[O-])c1 ZINC000288746022 276248076 /nfs/dbraw/zinc/24/80/76/276248076.db2.gz HSEYYESOVCSUQZ-UHFFFAOYSA-N 1 0 332.356 3.024 20 5 EGBDRO C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000290730151 276534148 /nfs/dbraw/zinc/53/41/48/276534148.db2.gz PHHTXMMVXVIFJL-CYBMUJFWSA-N 1 0 337.420 3.378 20 5 EGBDRO CCc1nnc(CNc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)s1 ZINC000290767941 276538906 /nfs/dbraw/zinc/53/89/06/276538906.db2.gz VCYHHLPUYZIZHF-UHFFFAOYSA-N 1 0 329.385 3.477 20 5 EGBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000266327709 279123508 /nfs/dbraw/zinc/12/35/08/279123508.db2.gz VVWSHTUIFQDWNH-HNNXBMFYSA-N 1 0 347.459 3.063 20 5 EGBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1c1nc2ccccc2cc1[N+](=O)[O-] ZINC000376174054 280102291 /nfs/dbraw/zinc/10/22/91/280102291.db2.gz OPGKXWLPOOJOST-BBRMVZONSA-N 1 0 326.400 3.206 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000195066170 281257779 /nfs/dbraw/zinc/25/77/79/281257779.db2.gz YKQPYJCNHANLMD-HNNXBMFYSA-N 1 0 341.411 3.154 20 5 EGBDRO CC(C)CN(C(=O)/C=C/c1ccccc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000074139445 307391228 /nfs/dbraw/zinc/39/12/28/307391228.db2.gz PEMIHWOUISYSEK-CMDGGOBGSA-N 1 0 345.443 3.187 20 5 EGBDRO C[C@@H]([NH2+]C[C@@H](Cc1ccccc1)N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000132967331 307665527 /nfs/dbraw/zinc/66/55/27/307665527.db2.gz DTTHRPZFFBVBFP-DNVCBOLYSA-N 1 0 327.428 3.418 20 5 EGBDRO CO[C@@H]([C@H](C)[NH2+][C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CC1 ZINC000414194440 309066014 /nfs/dbraw/zinc/06/60/14/309066014.db2.gz VLRMMCRMXLFDEH-PGUXBMHVSA-N 1 0 346.387 3.109 20 5 EGBDRO C[C@H]([NH2+]C[C@H]1CNC(=O)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 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ZINC000414579768 309090325 /nfs/dbraw/zinc/09/03/25/309090325.db2.gz QAKQAHJRNWSLOO-DZGCQCFKSA-N 1 0 330.384 3.448 20 5 EGBDRO CC[C@](C[NH2+]Cc1ccc([N+](=O)[O-])cc1)(C(=O)OC)c1ccccc1 ZINC000414594546 309091122 /nfs/dbraw/zinc/09/11/22/309091122.db2.gz YLYDSQGFWZWZTP-LJQANCHMSA-N 1 0 342.395 3.205 20 5 EGBDRO CC(C)C[C@H]([NH3+])c1noc(-c2ccc(OC(F)F)c([N+](=O)[O-])c2)n1 ZINC000414612213 309091488 /nfs/dbraw/zinc/09/14/88/309091488.db2.gz DBWUHVBMHNEUPY-VIFPVBQESA-N 1 0 342.302 3.292 20 5 EGBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000295679468 308349953 /nfs/dbraw/zinc/34/99/53/308349953.db2.gz KUUZSOHPAWHHMJ-IAQYHMDHSA-N 1 0 339.823 3.114 20 5 EGBDRO [NH3+]C1(c2noc(-c3cc([N+](=O)[O-])ccc3C(F)(F)F)n2)CCCC1 ZINC000414624292 309092284 /nfs/dbraw/zinc/09/22/84/309092284.db2.gz GCOMDQJSWVBHFL-UHFFFAOYSA-N 1 0 342.277 3.392 20 5 EGBDRO CC[C@@H](COCC(F)(F)F)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000297181306 308507373 /nfs/dbraw/zinc/50/73/73/308507373.db2.gz DXLVXCHJBAYPCN-KOLCDFICSA-N 1 0 335.326 3.185 20 5 EGBDRO CCC[NH+]1CCC(N(C)C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000297509851 308540948 /nfs/dbraw/zinc/54/09/48/308540948.db2.gz GTMUIAKTROECQO-AWEZNQCLSA-N 1 0 348.447 3.172 20 5 EGBDRO CC[NH2+]CCNCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000414829384 309104330 /nfs/dbraw/zinc/10/43/30/309104330.db2.gz MOHALCLHSWVUGU-UHFFFAOYSA-N 1 0 328.416 3.062 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)N(C)Cc2cccs2)cc1[N+](=O)[O-] ZINC000299099813 308660760 /nfs/dbraw/zinc/66/07/60/308660760.db2.gz UVFNBTDAMDTNDL-CYBMUJFWSA-N 1 0 347.440 3.274 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CC3CC3)CC2)c(C(F)(F)F)c1 ZINC000301064101 308686845 /nfs/dbraw/zinc/68/68/45/308686845.db2.gz CVYZPMLRGSMODB-UHFFFAOYSA-N 1 0 329.322 3.146 20 5 EGBDRO COc1cccc([C@H](C)[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000301188515 308691181 /nfs/dbraw/zinc/69/11/81/308691181.db2.gz KSEYBNWXYAXSCH-HNNXBMFYSA-N 1 0 341.411 3.487 20 5 EGBDRO C[C@H]1C[NH+](CCC2CCN(c3ccccc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000301596325 308706735 /nfs/dbraw/zinc/70/67/35/308706735.db2.gz ZILRADMKSXZNMB-HOTGVXAUSA-N 1 0 347.459 3.311 20 5 EGBDRO Cc1cc(NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)ccc1[N+](=O)[O-] ZINC000301675668 308710430 /nfs/dbraw/zinc/71/04/30/308710430.db2.gz CDOMWUQDHBDTLG-ROUUACIJSA-N 1 0 333.432 3.083 20 5 EGBDRO Cc1cc(N2CC[C@@H]3OCCC[C@@H]3C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302065986 308727819 /nfs/dbraw/zinc/72/78/19/308727819.db2.gz FCJBNAGZZKSXMP-ACJLOTCBSA-N 1 0 327.384 3.457 20 5 EGBDRO Cc1cccc(N2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c1[N+](=O)[O-] ZINC000302519036 308738682 /nfs/dbraw/zinc/73/86/82/308738682.db2.gz WNXWYZJEMAARAY-HOTGVXAUSA-N 1 0 347.459 3.229 20 5 EGBDRO COc1ccc(NC(=O)[C@H](C)[NH2+]C2[C@@H](C)CCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000331352731 308804761 /nfs/dbraw/zinc/80/47/61/308804761.db2.gz ORANCYXODLOIOC-AVGNSLFASA-N 1 0 349.431 3.345 20 5 EGBDRO Cc1c(C[NH2+][C@H](C)CC(=O)N2CCCCCC2)cccc1[N+](=O)[O-] ZINC000331526687 308809546 /nfs/dbraw/zinc/80/95/46/308809546.db2.gz OIJXAGKEBYSSAJ-CQSZACIVSA-N 1 0 333.432 3.174 20 5 EGBDRO CC(C)C[C@@H]1OCCC[C@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411555493 308944035 /nfs/dbraw/zinc/94/40/35/308944035.db2.gz HAVSRVMPBCQAPK-SJORKVTESA-N 1 0 349.431 3.107 20 5 EGBDRO O=[N+]([O-])c1cnc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(C(F)(F)F)c1 ZINC000413060020 309013959 /nfs/dbraw/zinc/01/39/59/309013959.db2.gz IELZNQYTGLZDJJ-VHSXEESVSA-N 1 0 330.310 3.047 20 5 EGBDRO O=[N+]([O-])c1ccc2ccnc(N3CCC[C@@H]([NH+]4CCCC4)C3)c2c1 ZINC000413069192 309014480 /nfs/dbraw/zinc/01/44/80/309014480.db2.gz YPOSCMLQQJLWDE-MRXNPFEDSA-N 1 0 326.400 3.208 20 5 EGBDRO CC[NH+](CC)C[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000413166054 309019270 /nfs/dbraw/zinc/01/92/70/309019270.db2.gz IBYPNSYJCUXBRL-NSHDSACASA-N 1 0 346.353 3.177 20 5 EGBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)c1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413174709 309019663 /nfs/dbraw/zinc/01/96/63/309019663.db2.gz QBQXWBYCSUGHLL-NSHDSACASA-N 1 0 346.353 3.319 20 5 EGBDRO C[C@H]1CCN(c2ncc([N+](=O)[O-])cc2F)CC[N@@H+]1Cc1ccccc1 ZINC000413172738 309019716 /nfs/dbraw/zinc/01/97/16/309019716.db2.gz PZCXALIKHKICTC-AWEZNQCLSA-N 1 0 344.390 3.230 20 5 EGBDRO C[C@]1(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCC[NH2+]C1 ZINC000414915247 309109034 /nfs/dbraw/zinc/10/90/34/309109034.db2.gz ZLIXRUUWSYIBFW-SFHVURJKSA-N 1 0 329.400 3.334 20 5 EGBDRO CC[C@H]([NH3+])CNCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000414973448 309112394 /nfs/dbraw/zinc/11/23/94/309112394.db2.gz CCLYGVCABPIGPF-AWEZNQCLSA-N 1 0 333.363 3.353 20 5 EGBDRO C[C@@H]([NH3+])[C@H](C)NCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000415019172 309114737 /nfs/dbraw/zinc/11/47/37/309114737.db2.gz RPULTQNCJGRMNR-KGLIPLIRSA-N 1 0 328.416 3.188 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(CC[NH3+])Cc1ccccc1 ZINC000415298654 309130445 /nfs/dbraw/zinc/13/04/45/309130445.db2.gz PKJHUEWXSDRUMS-UHFFFAOYSA-N 1 0 342.399 3.204 20 5 EGBDRO C[NH2+]Cc1ccc(NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])cc1 ZINC000415979580 309152575 /nfs/dbraw/zinc/15/25/75/309152575.db2.gz DNRVYZWQHCEVHF-UHFFFAOYSA-N 1 0 342.399 3.371 20 5 EGBDRO CC(=O)N1CCC(C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000417313648 309201352 /nfs/dbraw/zinc/20/13/52/309201352.db2.gz PQPLBJOLSZVXDS-IBGZPJMESA-N 1 0 345.443 3.210 20 5 EGBDRO Cc1nnc(CC[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)s1 ZINC000417352200 309202797 /nfs/dbraw/zinc/20/27/97/309202797.db2.gz UTVAQUQNQRSLRZ-OAHLLOKOSA-N 1 0 332.429 3.355 20 5 EGBDRO Cc1ccc([C@H](C)NC(=O)N[C@@H](C[NH3+])C2CCCCC2)cc1[N+](=O)[O-] ZINC000417819707 309223917 /nfs/dbraw/zinc/22/39/17/309223917.db2.gz CACPEQIZFCPLRL-BBRMVZONSA-N 1 0 348.447 3.171 20 5 EGBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000418755073 309256177 /nfs/dbraw/zinc/25/61/77/309256177.db2.gz XCQJHILTXRWHHD-MRXNPFEDSA-N 1 0 348.447 3.047 20 5 EGBDRO CC[C@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)[C@@H]1CC1(C)C ZINC000419315379 309264309 /nfs/dbraw/zinc/26/43/09/309264309.db2.gz JTBZJWMXRBCHGG-KBPBESRZSA-N 1 0 349.431 3.346 20 5 EGBDRO CC[C@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)[C@H]1CC1(C)C ZINC000419315383 309264336 /nfs/dbraw/zinc/26/43/36/309264336.db2.gz JTBZJWMXRBCHGG-KGLIPLIRSA-N 1 0 349.431 3.346 20 5 EGBDRO COCCCC[N@H+](C)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000419382374 309266209 /nfs/dbraw/zinc/26/62/09/309266209.db2.gz JIAWDIBICCNIGL-LBPRGKRZSA-N 1 0 334.376 3.064 20 5 EGBDRO CC[C@H](C)C[NH2+]Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000421392627 309322443 /nfs/dbraw/zinc/32/24/43/309322443.db2.gz XVGQNMIFCKDFID-JTQLQIEISA-N 1 0 332.347 3.383 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000421514645 309327911 /nfs/dbraw/zinc/32/79/11/309327911.db2.gz FXJAWSKZZZBJIT-UHFFFAOYSA-N 1 0 345.399 3.009 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000421778606 309339695 /nfs/dbraw/zinc/33/96/95/309339695.db2.gz HLAUNUUEBPAQQE-UHFFFAOYSA-N 1 0 345.443 3.348 20 5 EGBDRO COc1ccc(C[NH2+][C@H]2CCc3cccnc3CC2)cc1[N+](=O)[O-] ZINC000421825266 309341775 /nfs/dbraw/zinc/34/17/75/309341775.db2.gz MQWJZCHIDDYWSB-HNNXBMFYSA-N 1 0 327.384 3.036 20 5 EGBDRO CC[NH2+]Cc1cccc(NC(=O)c2c(OCC)cccc2[N+](=O)[O-])c1 ZINC000422728557 309365527 /nfs/dbraw/zinc/36/55/27/309365527.db2.gz AGYHMQQPIMXJPD-UHFFFAOYSA-N 1 0 343.383 3.355 20 5 EGBDRO CC[NH2+]Cc1ccccc1NC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000422739403 309366104 /nfs/dbraw/zinc/36/61/04/309366104.db2.gz LLQROHRGWBEEEQ-UHFFFAOYSA-N 1 0 327.384 3.194 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000422841910 309371591 /nfs/dbraw/zinc/37/15/91/309371591.db2.gz XEPDIJATKANPQC-UHFFFAOYSA-N 1 0 339.395 3.418 20 5 EGBDRO Cc1ccc([C@@H](C)NC(=O)[C@@H]([NH3+])CC2CCCCC2)cc1[N+](=O)[O-] ZINC000423270153 309393378 /nfs/dbraw/zinc/39/33/78/309393378.db2.gz GFKKMASBANABLN-CJNGLKHVSA-N 1 0 333.432 3.378 20 5 EGBDRO COc1ccc(NC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)cc1[N+](=O)[O-] ZINC000423723278 309410816 /nfs/dbraw/zinc/41/08/16/309410816.db2.gz LJLKXWRWJAONFD-INIZCTEOSA-N 1 0 343.383 3.268 20 5 EGBDRO [NH3+][C@@H]1CCCCCC[C@H]1C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423835821 309415651 /nfs/dbraw/zinc/41/56/51/309415651.db2.gz DXHZQOQWVCKEML-UKRRQHHQSA-N 1 0 339.823 3.162 20 5 EGBDRO CC(C)([NH2+]CCc1ccc2c(c1)OCCO2)c1ccccc1[N+](=O)[O-] ZINC000429247414 309575169 /nfs/dbraw/zinc/57/51/69/309575169.db2.gz JJANYPLENSYKLC-UHFFFAOYSA-N 1 0 342.395 3.433 20 5 EGBDRO CCOC(=O)C[C@@](C)([NH2+]Cc1ccc([N+](=O)[O-])cc1OC)C(C)C ZINC000430206449 309601373 /nfs/dbraw/zinc/60/13/73/309601373.db2.gz WANPSHUTYLCQQW-QGZVFWFLSA-N 1 0 338.404 3.061 20 5 EGBDRO CO[C@]1(C)C[C@H]([NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1(C)C ZINC000447534492 309981210 /nfs/dbraw/zinc/98/12/10/309981210.db2.gz XSAJFHNFMKUVHA-QDEZUTFSSA-N 1 0 336.436 3.068 20 5 EGBDRO CN(C(=O)C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)C1CCCCC1 ZINC000447585257 309983367 /nfs/dbraw/zinc/98/33/67/309983367.db2.gz ILOPCPOTVAPZJX-GOSISDBHSA-N 1 0 345.443 3.353 20 5 EGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CN(C)C)c1ccccc1 ZINC000449067913 310034309 /nfs/dbraw/zinc/03/43/09/310034309.db2.gz PBXBRNCQFXMSSC-QAPCUYQASA-N 1 0 327.428 3.418 20 5 EGBDRO COc1ccc(OC)c(CC[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000449102104 310037242 /nfs/dbraw/zinc/03/72/42/310037242.db2.gz WZBLIHIUIPZKBD-AWEZNQCLSA-N 1 0 344.411 3.375 20 5 EGBDRO CC(C)n1cc2c(n1)C[C@@H]([NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])CC2 ZINC000449195717 310043762 /nfs/dbraw/zinc/04/37/62/310043762.db2.gz VMKSSLKBRRCOMX-PBHICJAKSA-N 1 0 342.443 3.450 20 5 EGBDRO COCC[C@@H](Cc1ccco1)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449234167 310046577 /nfs/dbraw/zinc/04/65/77/310046577.db2.gz PADNMODBVYDSNQ-ZBFHGGJFSA-N 1 0 332.400 3.356 20 5 EGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1Cc2ccccc2N(C)C1 ZINC000449265440 310048651 /nfs/dbraw/zinc/04/86/51/310048651.db2.gz QFPZTIQVMAAPJK-HZPDHXFCSA-N 1 0 339.439 3.424 20 5 EGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCO[C@@H]1c1cccnc1 ZINC000449313169 310052591 /nfs/dbraw/zinc/05/25/91/310052591.db2.gz VEUJYIAJEGWGTO-QANKJYHBSA-N 1 0 327.384 3.041 20 5 EGBDRO COc1ccc(-c2ccc(C[NH2+]C[C@H](C)CCCO)o2)c([N+](=O)[O-])c1 ZINC000449406783 310059358 /nfs/dbraw/zinc/05/93/58/310059358.db2.gz CKIBWBWPOBJYBM-CYBMUJFWSA-N 1 0 348.399 3.362 20 5 EGBDRO CC(C)(C[C@@H]1CCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1)C(N)=O ZINC000449410587 310059798 /nfs/dbraw/zinc/05/97/98/310059798.db2.gz XXXCRILBWDBRBC-AJHXJQRKSA-N 1 0 345.443 3.222 20 5 EGBDRO COC(=O)c1ccc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)[nH]1 ZINC000449500875 310067179 /nfs/dbraw/zinc/06/71/79/310067179.db2.gz ONVMZBGCFSHQCX-AWEZNQCLSA-N 1 0 343.383 3.089 20 5 EGBDRO COCC1(C[NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000449743105 310083714 /nfs/dbraw/zinc/08/37/14/310083714.db2.gz USTQISSEKHYEQE-CQSZACIVSA-N 1 0 349.431 3.108 20 5 EGBDRO CC[N@@H+]1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)[C@H](C)C1 ZINC000450531193 310128405 /nfs/dbraw/zinc/12/84/05/310128405.db2.gz RRFCRRGZKIAVDG-GFCCVEGCSA-N 1 0 332.429 3.249 20 5 EGBDRO C[C@@H]1CN(c2nccc3c2cccc3[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000450537223 310128864 /nfs/dbraw/zinc/12/88/64/310128864.db2.gz CCWWPYDWZLRMSW-AWEZNQCLSA-N 1 0 340.427 3.454 20 5 EGBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC1CC[NH+](C2CCC2)CC1 ZINC000450879222 310147441 /nfs/dbraw/zinc/14/74/41/310147441.db2.gz NJFXDCSWLPCXKW-UHFFFAOYSA-N 1 0 347.415 3.119 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2noc(C[NH2+][C@@H]3CCC34CCCC4)n2)cc1 ZINC000451455502 310179236 /nfs/dbraw/zinc/17/92/36/310179236.db2.gz JYNAGRZPGJATSS-CQSZACIVSA-N 1 0 328.372 3.457 20 5 EGBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(OC)c(F)cc2[N+](=O)[O-])C12CCC2 ZINC000451474079 310180014 /nfs/dbraw/zinc/18/00/14/310180014.db2.gz ALTCLZJYFYNQSH-JKSUJKDBSA-N 1 0 338.379 3.180 20 5 EGBDRO CCO[C@H]1C[C@H]([NH2+]Cc2c(F)cc([N+](=O)[O-])cc2F)C12CCC2 ZINC000451477389 310180133 /nfs/dbraw/zinc/18/01/33/310180133.db2.gz HTOJVWHQZGSHBU-GJZGRUSLSA-N 1 0 326.343 3.310 20 5 EGBDRO CCOc1cc(C[NH2+][C@@H]2C[C@@H](OCC)C23CCC3)ccc1[N+](=O)[O-] ZINC000451483371 310180682 /nfs/dbraw/zinc/18/06/82/310180682.db2.gz VNGUVXLRTUTUJD-IAGOWNOFSA-N 1 0 334.416 3.431 20 5 EGBDRO CC[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451546421 310184703 /nfs/dbraw/zinc/18/47/03/310184703.db2.gz JGZGZMFHPOQFFH-LZWOXQAQSA-N 1 0 333.432 3.077 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](C[C@H](O)Cc3ccccc3)C2)cc1 ZINC000451550874 310185603 /nfs/dbraw/zinc/18/56/03/310185603.db2.gz SSOHVUBQTPPZET-AZUAARDMSA-N 1 0 340.423 3.378 20 5 EGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@H]2CCOC3(CCC3)C2)n1 ZINC000453322974 310271031 /nfs/dbraw/zinc/27/10/31/310271031.db2.gz RJQIKBRBIQYMDB-ARFHVFGLSA-N 1 0 348.447 3.214 20 5 EGBDRO Cc1cc(C)c(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cn1 ZINC000453345707 310272255 /nfs/dbraw/zinc/27/22/55/310272255.db2.gz FMRFCIYTLBMNPJ-HOTGVXAUSA-N 1 0 329.404 3.077 20 5 EGBDRO C[C@H](CNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000454513795 310314078 /nfs/dbraw/zinc/31/40/78/310314078.db2.gz RGXSHEPNIGDOPA-KFWWJZLASA-N 1 0 348.447 3.075 20 5 EGBDRO Cc1ccc([C@@H](C)NC(=O)NCCCC[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000454607801 310319728 /nfs/dbraw/zinc/31/97/28/310319728.db2.gz KQMNEJICMBRPTB-CQSZACIVSA-N 1 0 348.447 3.138 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCCCC[N@@H+](C)C1CC1 ZINC000455148309 310347179 /nfs/dbraw/zinc/34/71/79/310347179.db2.gz WGMAVAFEJSPERI-UHFFFAOYSA-N 1 0 334.420 3.208 20 5 EGBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC(C)(C)CCC[NH+](C)C ZINC000456166232 310391549 /nfs/dbraw/zinc/39/15/49/310391549.db2.gz JEMHYYLNUQXJEM-MRXNPFEDSA-N 1 0 349.475 3.400 20 5 EGBDRO COC(=O)CC1([NH2+]Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CCC1 ZINC000459387408 310549295 /nfs/dbraw/zinc/54/92/95/310549295.db2.gz JIUIYXZVTDHKGB-UHFFFAOYSA-N 1 0 346.305 3.189 20 5 EGBDRO Cc1cc(NC[C@]2(C)CCO[C@@H]2C2CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000466640531 310656130 /nfs/dbraw/zinc/65/61/30/310656130.db2.gz QEIXRWGMWALERP-MOPGFXCFSA-N 1 0 341.411 3.490 20 5 EGBDRO Cc1cccc(C[C@@H](CO)[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])c1 ZINC000466891652 310662511 /nfs/dbraw/zinc/66/25/11/310662511.db2.gz SRXLCANGVVZNQP-ZETNRXDVSA-N 1 0 326.396 3.110 20 5 EGBDRO Cc1cc(NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000473775887 310779570 /nfs/dbraw/zinc/77/95/70/310779570.db2.gz NZROQIPTKXYMGN-OAHLLOKOSA-N 1 0 336.436 3.391 20 5 EGBDRO Cc1ccc([C@H]([NH2+]CCn2ccc([N+](=O)[O-])n2)c2ccccc2)cc1 ZINC000478424705 310858922 /nfs/dbraw/zinc/85/89/22/310858922.db2.gz DZINQFYIPUTBCG-LJQANCHMSA-N 1 0 336.395 3.479 20 5 EGBDRO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000481125691 310906780 /nfs/dbraw/zinc/90/67/80/310906780.db2.gz LMKTYXFVSFXHAL-ILXRZTDVSA-N 1 0 336.432 3.139 20 5 EGBDRO Cc1ccc([C@@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000488040267 311048814 /nfs/dbraw/zinc/04/88/14/311048814.db2.gz FPVXMFAVASOKCR-CQSZACIVSA-N 1 0 333.432 3.201 20 5 EGBDRO O=[N+]([O-])c1ccc(CCCC[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)cc1 ZINC000488120837 311052117 /nfs/dbraw/zinc/05/21/17/311052117.db2.gz RFVUZKKJCMXSAR-KZNAEPCWSA-N 1 0 330.428 3.465 20 5 EGBDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cc4ccccc4o3)CC2)n1 ZINC000489013325 311089437 /nfs/dbraw/zinc/08/94/37/311089437.db2.gz NUFRPRBCTBTYPZ-UHFFFAOYSA-N 1 0 326.356 3.375 20 5 EGBDRO COc1cc(C[N@@H+]2C[C@H](C)C[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000490545671 311144479 /nfs/dbraw/zinc/14/44/79/311144479.db2.gz OCNYTGCEYPHTEA-MNOVXSKESA-N 1 0 344.358 3.478 20 5 EGBDRO C[NH+](C)Cc1ccccc1NC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000492836658 311297300 /nfs/dbraw/zinc/29/73/00/311297300.db2.gz KCQWCEQOHJSTKR-KHPPLWFESA-N 1 0 325.368 3.308 20 5 EGBDRO C[C@@H](C[C@H](C)[NH2+]Cc1csc([N+](=O)[O-])c1)NC(=O)OC(C)(C)C ZINC000496201188 311677474 /nfs/dbraw/zinc/67/74/74/311677474.db2.gz SWYNIPPEABOFCE-QWRGUYRKSA-N 1 0 343.449 3.438 20 5 EGBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C[C@@H]1OCCc2ccccc21 ZINC000507253335 312065403 /nfs/dbraw/zinc/06/54/03/312065403.db2.gz NYBLKNYBNCNXMV-IBGZPJMESA-N 1 0 342.395 3.219 20 5 EGBDRO COc1cc(NCC2([NH+](C)C)CCCCC2)c(F)cc1[N+](=O)[O-] ZINC000508261575 312091512 /nfs/dbraw/zinc/09/15/12/312091512.db2.gz BUHROQNLSDHWES-UHFFFAOYSA-N 1 0 325.384 3.419 20 5 EGBDRO CCCC[N@H+](CC(N)=O)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000509521134 312119549 /nfs/dbraw/zinc/11/95/49/312119549.db2.gz QPGWZUMRZHHEJO-UHFFFAOYSA-N 1 0 347.440 3.411 20 5 EGBDRO C[C@H](Nc1ccc(Br)cc1[N+](=O)[O-])C1=CC[N@H+](C)CC1 ZINC000511370654 312159123 /nfs/dbraw/zinc/15/91/23/312159123.db2.gz UVHQFZJYZIJNJA-JTQLQIEISA-N 1 0 340.221 3.420 20 5 EGBDRO C[NH+](C)Cc1ccc(NCCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000515054224 312263056 /nfs/dbraw/zinc/26/30/56/312263056.db2.gz CKCVIWVFDZUURC-UHFFFAOYSA-N 1 0 342.399 3.097 20 5 EGBDRO CC(=O)Nc1ccc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)cn1 ZINC000516841009 312344077 /nfs/dbraw/zinc/34/40/77/312344077.db2.gz QFTTVNZRSPYUIB-LBPRGKRZSA-N 1 0 328.372 3.107 20 5 EGBDRO CC(C)C[C@@H]1C[C@@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000516966618 312355193 /nfs/dbraw/zinc/35/51/93/312355193.db2.gz WBTNYOXHNAVFOW-LSDHHAIUSA-N 1 0 349.431 3.107 20 5 EGBDRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000517560441 312383738 /nfs/dbraw/zinc/38/37/38/312383738.db2.gz YNUTUWJWHCLLQV-KBPBESRZSA-N 1 0 348.447 3.473 20 5 EGBDRO C[NH+](C)CCN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000520163242 312493728 /nfs/dbraw/zinc/49/37/28/312493728.db2.gz DVISKYFIGNNCAH-UHFFFAOYSA-N 1 0 347.802 3.457 20 5 EGBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCCC23CCCCC3)c1 ZINC000535378928 314044105 /nfs/dbraw/zinc/04/41/05/314044105.db2.gz HMQPEAVVZGJVIF-INIZCTEOSA-N 1 0 334.416 3.133 20 5 EGBDRO CN1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@@H](c2ccccc2)C1 ZINC000536452550 314114734 /nfs/dbraw/zinc/11/47/34/314114734.db2.gz FAUHMIQVYJUKSE-LJQANCHMSA-N 1 0 325.412 3.126 20 5 EGBDRO C[C@H](O)C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000536649126 314134145 /nfs/dbraw/zinc/13/41/45/314134145.db2.gz GAQVOVMPAVOBKV-BPLPYTOXSA-N 1 0 326.396 3.491 20 5 EGBDRO O=[N+]([O-])c1cc(CN[C@H](CO)c2ccc(C(F)(F)F)cc2)cs1 ZINC000537317740 314174240 /nfs/dbraw/zinc/17/42/40/314174240.db2.gz KHHGZQOVVKQHON-GFCCVEGCSA-N 1 0 346.330 3.498 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000538277172 314236954 /nfs/dbraw/zinc/23/69/54/314236954.db2.gz XXMOZWYLFXGSMO-VWNJHIHFSA-N 1 0 347.459 3.495 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1ccc(-n2cncn2)cc1 ZINC000539088881 314295715 /nfs/dbraw/zinc/29/57/15/314295715.db2.gz CAWBUXUKHPSARK-CQSZACIVSA-N 1 0 337.383 3.335 20 5 EGBDRO CC(C)c1ccc(C[NH2+]C[C@@H](CO)Cc2ccco2)cc1[N+](=O)[O-] ZINC000540619477 314392904 /nfs/dbraw/zinc/39/29/04/314392904.db2.gz ALABSEZBZMAXKM-HNNXBMFYSA-N 1 0 332.400 3.252 20 5 EGBDRO COc1cc(C[NH2+]C2(C3CC3)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000541595612 314472893 /nfs/dbraw/zinc/47/28/93/314472893.db2.gz VFIPYLNTTKALBJ-UHFFFAOYSA-N 1 0 328.315 3.237 20 5 EGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](O)CCc1ccccc1 ZINC000542488200 314550797 /nfs/dbraw/zinc/55/07/97/314550797.db2.gz NJGCMZGLPBKXRP-VQIMIIECSA-N 1 0 342.439 3.499 20 5 EGBDRO CC(=O)c1ccccc1OCC[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000549170935 315079439 /nfs/dbraw/zinc/07/94/39/315079439.db2.gz GEUFWWPKJCKCOR-UHFFFAOYSA-N 1 0 342.395 3.351 20 5 EGBDRO CCCN(CC[NH+]1CCCC1)C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000553398579 315261554 /nfs/dbraw/zinc/26/15/54/315261554.db2.gz HAJOBJCZHYMEKW-HNNXBMFYSA-N 1 0 333.432 3.033 20 5 EGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](CO)C(C)C ZINC000554085744 315296993 /nfs/dbraw/zinc/29/69/93/315296993.db2.gz PSYAQAFAKMNUMB-UONOGXRCSA-N 1 0 326.462 3.320 20 5 EGBDRO O=C(CC[NH2+]CCCc1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000554527577 315328025 /nfs/dbraw/zinc/32/80/25/315328025.db2.gz YQWXTVJBRREMQP-UHFFFAOYSA-N 1 0 327.384 3.146 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000555190715 315371719 /nfs/dbraw/zinc/37/17/19/315371719.db2.gz PEYKMGHLBJVYBZ-HYXAFXHYSA-N 1 0 343.349 3.224 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC([C@H]2NC(=O)C2(C)C)CC1 ZINC000562477681 315839307 /nfs/dbraw/zinc/83/93/07/315839307.db2.gz NFQSMPZVTFZHQX-SUMWQHHRSA-N 1 0 345.443 3.201 20 5 EGBDRO C[NH+](C)CC(C)(C)CN[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000563264781 315987216 /nfs/dbraw/zinc/98/72/16/315987216.db2.gz SISCBAFEFNAOIY-ZDUSSCGKSA-N 1 0 333.354 3.376 20 5 EGBDRO COCC[C@@H](Cc1ccco1)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000564226492 316126034 /nfs/dbraw/zinc/12/60/34/316126034.db2.gz YSZDAUFTFBHHMK-GUYCJALGSA-N 1 0 330.384 3.413 20 5 EGBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]C[C@H](O)Cc2ccccc2)cc1 ZINC000567691226 316656488 /nfs/dbraw/zinc/65/64/88/316656488.db2.gz RZWFJTWACRDIOL-LJQANCHMSA-N 1 0 328.412 3.111 20 5 EGBDRO CC(C)CC(=O)N1CCC([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000568531481 316788492 /nfs/dbraw/zinc/78/84/92/316788492.db2.gz FHVJOFYPVQJTLC-KRWDZBQOSA-N 1 0 345.443 3.209 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCC[C@H](N2CCCC2=O)C1 ZINC000572059900 317285024 /nfs/dbraw/zinc/28/50/24/317285024.db2.gz KTQMGPBXZBSGBC-JYJNAYRXSA-N 1 0 345.443 3.487 20 5 EGBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H]2CCCc3sccc32)c1 ZINC000572632785 317367210 /nfs/dbraw/zinc/36/72/10/317367210.db2.gz SEULDGPWYJZGKZ-CJNGLKHVSA-N 1 0 348.424 3.063 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@H](CO)C2CCCC2)o1 ZINC000574369382 317590245 /nfs/dbraw/zinc/59/02/45/317590245.db2.gz HMMSHKQQRQBFIM-MRXNPFEDSA-N 1 0 330.384 3.496 20 5 EGBDRO O=C(C[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F)Nc1ccccc1[N+](=O)[O-] ZINC000574914860 317651590 /nfs/dbraw/zinc/65/15/90/317651590.db2.gz NMDKXBOKDLQHAB-WDEREUQCSA-N 1 0 345.321 3.244 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCN(c3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000178687288 323359242 /nfs/dbraw/zinc/35/92/42/323359242.db2.gz AJKWVBROFNFFAA-PBHICJAKSA-N 1 0 339.395 3.359 20 5 EGBDRO C[C@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000381711559 324247737 /nfs/dbraw/zinc/24/77/37/324247737.db2.gz IOCYPQDDEFXODP-UWVGGRQHSA-N 1 0 329.422 3.048 20 5 EGBDRO C[NH+](C)[C@@H](CNc1ncc([N+](=O)[O-])cc1F)c1ccc(Cl)cc1 ZINC000577480523 324813772 /nfs/dbraw/zinc/81/37/72/324813772.db2.gz UQBNTNIQAJNQJS-AWEZNQCLSA-N 1 0 338.770 3.497 20 5 EGBDRO Cc1c(NC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)cccc1[N+](=O)[O-] ZINC000581080785 325328150 /nfs/dbraw/zinc/32/81/50/325328150.db2.gz UYSIFUXPWCBTGW-AWEZNQCLSA-N 1 0 349.456 3.059 20 5 EGBDRO CC(C)Oc1nc(N2CCC[C@H]([NH+]3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000581082337 325328686 /nfs/dbraw/zinc/32/86/86/325328686.db2.gz LXQONYVRLNHTKI-HNNXBMFYSA-N 1 0 348.447 3.232 20 5 EGBDRO C[C@H](C(=O)NCCC[NH2+]C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000581181457 325338569 /nfs/dbraw/zinc/33/85/69/325338569.db2.gz DVCMRZUHKJLEJL-AWEZNQCLSA-N 1 0 333.432 3.127 20 5 EGBDRO CC[C@H](CC(F)(F)F)[NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000354539397 457277820 /nfs/dbraw/zinc/27/78/20/457277820.db2.gz GUBZIZZZMVBJJM-VHSXEESVSA-N 1 0 333.310 3.242 20 5 EGBDRO C[C@H]1C[C@H](C)C[NH+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000157987787 455257277 /nfs/dbraw/zinc/25/72/77/455257277.db2.gz VGTLRXZWUXYVQQ-KBPBESRZSA-N 1 0 328.416 3.473 20 5 EGBDRO CCNC(=O)c1cccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000173338859 455268811 /nfs/dbraw/zinc/26/88/11/455268811.db2.gz ATTJJYYARLZZEU-CYBMUJFWSA-N 1 0 327.384 3.195 20 5 EGBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+](C)C(C)C ZINC000181358084 455322578 /nfs/dbraw/zinc/32/25/78/455322578.db2.gz DMGCMWKRQGUFDV-UHFFFAOYSA-N 1 0 339.461 3.165 20 5 EGBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000600725801 460580812 /nfs/dbraw/zinc/58/08/12/460580812.db2.gz KFIBQPZZSKMNAI-NTZNESFSSA-N 1 0 331.338 3.115 20 5 EGBDRO CC[NH+](CC)[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000010448393 453291138 /nfs/dbraw/zinc/29/11/38/453291138.db2.gz CORDFWYIXMLBRO-GOSISDBHSA-N 1 0 341.411 3.408 20 5 EGBDRO CC(C)c1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cn3)CC2)cc1 ZINC000012623499 453386198 /nfs/dbraw/zinc/38/61/98/453386198.db2.gz APHRZNBIHQZPRG-UHFFFAOYSA-N 1 0 340.427 3.435 20 5 EGBDRO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000024537969 453736818 /nfs/dbraw/zinc/73/68/18/453736818.db2.gz GIQJCOXNOQJLNK-HNNXBMFYSA-N 1 0 345.424 3.223 20 5 EGBDRO Cc1c(C(=O)NCC2([NH+](C)C)CCCCCC2)cccc1[N+](=O)[O-] ZINC000024582657 453738887 /nfs/dbraw/zinc/73/88/87/453738887.db2.gz WEHHFGBQYBBPLJ-UHFFFAOYSA-N 1 0 333.432 3.288 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@@H]1CCC[C@@H](C)C1 ZINC000026478493 453801288 /nfs/dbraw/zinc/80/12/88/453801288.db2.gz XCAFXVKPLAUEOP-ZIAGYGMSSA-N 1 0 349.431 3.443 20 5 EGBDRO Cc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 ZINC000030003481 453833210 /nfs/dbraw/zinc/83/32/10/453833210.db2.gz KAPUBDSENFMIOJ-KRWDZBQOSA-N 1 0 339.395 3.339 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C)c1nccs1 ZINC000184419952 455378413 /nfs/dbraw/zinc/37/84/13/455378413.db2.gz GPCBOBMZSVMZLJ-NSHDSACASA-N 1 0 334.401 3.039 20 5 EGBDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000081533652 453883588 /nfs/dbraw/zinc/88/35/88/453883588.db2.gz MXVMJFXCKMPBPP-LJQANCHMSA-N 1 0 325.412 3.301 20 5 EGBDRO COc1cc(C[N@@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000053778451 453895674 /nfs/dbraw/zinc/89/56/74/453895674.db2.gz SHXBKNYLRLAQIM-SNVBAGLBSA-N 1 0 330.331 3.437 20 5 EGBDRO CC1(C)CC(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC(C)(C)[NH2+]1 ZINC000053791908 453896677 /nfs/dbraw/zinc/89/66/77/453896677.db2.gz ZVVWDZMMJFTYHW-UHFFFAOYSA-N 1 0 344.415 3.115 20 5 EGBDRO Cc1c(C(=O)NCCC[N@@H+](C)C2CCCCC2)cccc1[N+](=O)[O-] ZINC000033006435 453901042 /nfs/dbraw/zinc/90/10/42/453901042.db2.gz BJWRXNPYGABQLT-UHFFFAOYSA-N 1 0 333.432 3.288 20 5 EGBDRO CC[NH+](CC)[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1C)c1ccco1 ZINC000067276607 453917543 /nfs/dbraw/zinc/91/75/43/453917543.db2.gz RIVZFBILHIEWGJ-INIZCTEOSA-N 1 0 345.399 3.309 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000159582433 455387615 /nfs/dbraw/zinc/38/76/15/455387615.db2.gz UROJDWMMVALQQZ-BBRMVZONSA-N 1 0 347.415 3.197 20 5 EGBDRO O=[N+]([O-])c1ccc2oc(CN3CCC[C@H]3C[NH+]3CCCCC3)nc2c1 ZINC000083170545 453941669 /nfs/dbraw/zinc/94/16/69/453941669.db2.gz FDHDNRUNJNTIMJ-HNNXBMFYSA-N 1 0 344.415 3.186 20 5 EGBDRO CN(CC[C@H]1CCCC[N@@H+]1C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083213713 453943863 /nfs/dbraw/zinc/94/38/63/453943863.db2.gz WOEXDTBQPOSOQD-CYBMUJFWSA-N 1 0 332.404 3.042 20 5 EGBDRO Cc1c(NC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000075987043 453945431 /nfs/dbraw/zinc/94/54/31/453945431.db2.gz WKFHHOAEPAMLRM-KRWDZBQOSA-N 1 0 342.399 3.328 20 5 EGBDRO O=C(C[N@@H+]1CCC[C@@H]1C1CCCC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000055927613 454026229 /nfs/dbraw/zinc/02/62/29/454026229.db2.gz DOZTUHGJTHSIJY-QGZVFWFLSA-N 1 0 343.427 3.139 20 5 EGBDRO CC[C@H](NC(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000085417979 454028324 /nfs/dbraw/zinc/02/83/24/454028324.db2.gz WXKZYEWNLCYTFB-JQFCIGGWSA-N 1 0 348.447 3.028 20 5 EGBDRO Cc1c(NC(=O)NCCC[NH+]2CCCCCC2)cccc1[N+](=O)[O-] ZINC000043348364 454057492 /nfs/dbraw/zinc/05/74/92/454057492.db2.gz ZEKILDGMCIFBNT-UHFFFAOYSA-N 1 0 334.420 3.291 20 5 EGBDRO Cc1ccc(-c2n[nH]cc2C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)o1 ZINC000068989368 454071044 /nfs/dbraw/zinc/07/10/44/454071044.db2.gz BOXMKCUFHUBGFQ-UHFFFAOYSA-N 1 0 342.355 3.055 20 5 EGBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1c1ncccc1[N+](=O)[O-] ZINC000077236649 454080485 /nfs/dbraw/zinc/08/04/85/454080485.db2.gz IXGIFYQAXPJKGF-OAHLLOKOSA-N 1 0 326.400 3.091 20 5 EGBDRO O=[N+]([O-])c1c(F)cccc1N1CC[NH+](CCc2ccccc2)CC1 ZINC000057136810 454104844 /nfs/dbraw/zinc/10/48/44/454104844.db2.gz GNFSXOQOZWISJC-UHFFFAOYSA-N 1 0 329.375 3.099 20 5 EGBDRO C[C@H]([NH2+]CC1(N2CCCCC2)CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000089595153 454165003 /nfs/dbraw/zinc/16/50/03/454165003.db2.gz FJXQTHQXNOKTHA-INIZCTEOSA-N 1 0 347.459 3.281 20 5 EGBDRO CCc1nn(C)c(NCc2ccc(C[NH+](CC)CC)cc2)c1[N+](=O)[O-] ZINC000094132674 454188161 /nfs/dbraw/zinc/18/81/61/454188161.db2.gz VJNVRMHLSBNSJA-UHFFFAOYSA-N 1 0 345.447 3.345 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@H]1CCCC[C@H]1C ZINC000078270548 454221227 /nfs/dbraw/zinc/22/12/27/454221227.db2.gz WFTMMXSXTRUISO-DYEKYZERSA-N 1 0 335.404 3.099 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CC[C@@H]4OCCC[C@@H]4C3)co2)cc1 ZINC000089910263 454232285 /nfs/dbraw/zinc/23/22/85/454232285.db2.gz SVOHCVGRGYIEJD-PBHICJAKSA-N 1 0 343.383 3.251 20 5 EGBDRO COc1cc(C[N@H+](C)[C@@H]2CCSC2)c([N+](=O)[O-])cc1OC(F)F ZINC000089936363 454240773 /nfs/dbraw/zinc/24/07/73/454240773.db2.gz QINRBKMHZOBBDF-SNVBAGLBSA-N 1 0 348.371 3.142 20 5 EGBDRO CC(=O)c1ccc(N2CC[C@H](C[NH+]3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000078424938 454251060 /nfs/dbraw/zinc/25/10/60/454251060.db2.gz JMINOVRSMRHXQS-OAHLLOKOSA-N 1 0 331.416 3.110 20 5 EGBDRO CC[NH+](CC)[C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000078635892 454289823 /nfs/dbraw/zinc/28/98/23/454289823.db2.gz IWBJPDLRUFGWNE-LLVKDONJSA-N 1 0 348.428 3.387 20 5 EGBDRO CC(C)C[C@@H]1CC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000072492371 454298291 /nfs/dbraw/zinc/29/82/91/454298291.db2.gz UFQUMRKEFYXQFV-AWEZNQCLSA-N 1 0 347.415 3.261 20 5 EGBDRO CC(C)C[C@H]1CC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000072492378 454298434 /nfs/dbraw/zinc/29/84/34/454298434.db2.gz UFQUMRKEFYXQFV-CQSZACIVSA-N 1 0 347.415 3.261 20 5 EGBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@@H](c1ccccc1)C1CCCC1 ZINC000090554268 454321611 /nfs/dbraw/zinc/32/16/11/454321611.db2.gz UYJRZWNRWQHHAK-IBGZPJMESA-N 1 0 341.411 3.278 20 5 EGBDRO COc1cccc([C@H](CNc2ccc([N+](=O)[O-])cn2)[NH+]2CCCC2)c1 ZINC000072672742 454325886 /nfs/dbraw/zinc/32/58/86/454325886.db2.gz AXJHFKWIUQVXSM-KRWDZBQOSA-N 1 0 342.399 3.247 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H](C)CC1 ZINC000063309332 454405135 /nfs/dbraw/zinc/40/51/35/454405135.db2.gz UQUMBDJSDQLXCI-ZDUSSCGKSA-N 1 0 335.404 3.054 20 5 EGBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000121274669 454414365 /nfs/dbraw/zinc/41/43/65/454414365.db2.gz YXKJUUHJACROHO-OAHLLOKOSA-N 1 0 332.404 3.077 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000048050860 454437257 /nfs/dbraw/zinc/43/72/57/454437257.db2.gz QDRLPVQXHWYZKW-UHFFFAOYSA-N 1 0 348.447 3.487 20 5 EGBDRO COc1ccc(-c2ccc(C[N@H+]3CCC[C@@H](OC)C3)o2)c([N+](=O)[O-])c1 ZINC000091772581 454469383 /nfs/dbraw/zinc/46/93/83/454469383.db2.gz DKQJLZXMBJIAKN-CQSZACIVSA-N 1 0 346.383 3.474 20 5 EGBDRO COC(=O)[C@H](C)[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000079937828 454501650 /nfs/dbraw/zinc/50/16/50/454501650.db2.gz CZKWYUUEUYKFKB-RDTXWAMCSA-N 1 0 342.395 3.277 20 5 EGBDRO CCC[C@H]([NH2+][C@H](C)[C@@H](C)N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000134148911 454508309 /nfs/dbraw/zinc/50/83/09/454508309.db2.gz DFLPXEDNJCILFP-RKVPGOIHSA-N 1 0 335.448 3.135 20 5 EGBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@H](Nc3ccccc3)C2)c1 ZINC000102845861 454523131 /nfs/dbraw/zinc/52/31/31/454523131.db2.gz SKFWVRNDMMNZFT-INIZCTEOSA-N 1 0 327.384 3.160 20 5 EGBDRO CCC[N@H+](CC(=O)NC)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000092381507 454558412 /nfs/dbraw/zinc/55/84/12/454558412.db2.gz OKZBOJNPRXSOGY-UHFFFAOYSA-N 1 0 347.440 3.281 20 5 EGBDRO CC(C)[NH+](CCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(C)C ZINC000074329284 454566807 /nfs/dbraw/zinc/56/68/07/454566807.db2.gz SIXKYTJEFWWRSJ-UHFFFAOYSA-N 1 0 341.839 3.487 20 5 EGBDRO CCCC[N@H+](CCCO)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000182146052 455446424 /nfs/dbraw/zinc/44/64/24/455446424.db2.gz AEGYWSOURFQTRY-ZDUSSCGKSA-N 1 0 348.403 3.190 20 5 EGBDRO C[C@@H]1C[NH+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H](C)S1 ZINC000092540260 454583092 /nfs/dbraw/zinc/58/30/92/454583092.db2.gz XFQKNZYEBCBNOM-CHWSQXEVSA-N 1 0 346.456 3.321 20 5 EGBDRO Cc1cc(NCC2([NH+](C)C)CCOCC2)c(Cl)cc1[N+](=O)[O-] ZINC000080639803 454610023 /nfs/dbraw/zinc/61/00/23/454610023.db2.gz WHTWCLDTTVFGPN-UHFFFAOYSA-N 1 0 327.812 3.079 20 5 EGBDRO C[NH+](C)C1CN(C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)C1 ZINC000135005859 454623158 /nfs/dbraw/zinc/62/31/58/454623158.db2.gz XURKNMRUUFPVHA-UHFFFAOYSA-N 1 0 349.456 3.016 20 5 EGBDRO COc1ccc(-c2ccc(C[NH2+]C[C@H](C)C[C@@H](C)O)o2)c([N+](=O)[O-])c1 ZINC000123459541 454640386 /nfs/dbraw/zinc/64/03/86/454640386.db2.gz YVHULZMMHLDCJX-CHWSQXEVSA-N 1 0 348.399 3.360 20 5 EGBDRO COCC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@H]1CC[C@@H](C)C1 ZINC000616873169 460650527 /nfs/dbraw/zinc/65/05/27/460650527.db2.gz WUDXPUQMMPYHKC-OLZOCXBDSA-N 1 0 333.388 3.373 20 5 EGBDRO Cc1cc(C(=O)N2CCC[C@@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)cc([N+](=O)[O-])c1 ZINC000139786812 454812111 /nfs/dbraw/zinc/81/21/11/454812111.db2.gz GAMKFHWYWQSTOM-HLLBOEOZSA-N 1 0 345.443 3.381 20 5 EGBDRO CC(C)[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000140423987 454820957 /nfs/dbraw/zinc/82/09/57/454820957.db2.gz ZSSSTIXYFGNJDO-ZDUSSCGKSA-N 1 0 325.796 3.307 20 5 EGBDRO CC[C@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000163269327 454835426 /nfs/dbraw/zinc/83/54/26/454835426.db2.gz DTBLGGKEVADNDL-XJKSGUPXSA-N 1 0 331.416 3.042 20 5 EGBDRO C[C@H]1C[C@H](NC(=O)c2csc([N+](=O)[O-])c2)C[N@@H+]1Cc1ccccc1 ZINC000177448145 454864827 /nfs/dbraw/zinc/86/48/27/454864827.db2.gz UEWMYFYZKVCROL-WFASDCNBSA-N 1 0 345.424 3.049 20 5 EGBDRO CSCC[C@H](C)[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000126392037 454890791 /nfs/dbraw/zinc/89/07/91/454890791.db2.gz JYLMXAUQBMNQGA-ZDUSSCGKSA-N 1 0 339.461 3.305 20 5 EGBDRO Cc1c([C@H](C)[NH2+]CCc2nnc3n2CCCCC3)cccc1[N+](=O)[O-] ZINC000126628747 454906432 /nfs/dbraw/zinc/90/64/32/454906432.db2.gz DXMOLSLIOAMNPT-AWEZNQCLSA-N 1 0 343.431 3.114 20 5 EGBDRO CC[C@@H]([NH2+]Cc1cccnc1-n1cccn1)c1cccc([N+](=O)[O-])c1 ZINC000177905467 454918274 /nfs/dbraw/zinc/91/82/74/454918274.db2.gz TVVBXUDBVMYPLU-QGZVFWFLSA-N 1 0 337.383 3.416 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCN(c3ncccc3F)C2)cc1[N+](=O)[O-] ZINC000168158126 454925278 /nfs/dbraw/zinc/92/52/78/454925278.db2.gz NHUZSKJEXPVZMX-UKRRQHHQSA-N 1 0 344.390 3.367 20 5 EGBDRO CC(C)[NH+]1CCC(C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CC1 ZINC000178305160 454947809 /nfs/dbraw/zinc/94/78/09/454947809.db2.gz ZHXZHYZMJRANST-UHFFFAOYSA-N 1 0 345.443 3.206 20 5 EGBDRO Cc1ccc(NC2CC[NH+](Cc3ccncc3)CC2)c([N+](=O)[O-])c1 ZINC000179285874 455028181 /nfs/dbraw/zinc/02/81/81/455028181.db2.gz WQKUUFHPQJDYTK-UHFFFAOYSA-N 1 0 326.400 3.375 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000128294810 455043336 /nfs/dbraw/zinc/04/33/36/455043336.db2.gz PWTGSLJBZLIXIJ-UHFFFAOYSA-N 1 0 346.387 3.092 20 5 EGBDRO C[C@@H](c1ccncc1)[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000129528216 455115432 /nfs/dbraw/zinc/11/54/32/455115432.db2.gz VLBJQQJVHXYNET-LBPRGKRZSA-N 1 0 346.362 3.151 20 5 EGBDRO CNC(=O)[C@H](CC(C)C)[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000129961045 455135238 /nfs/dbraw/zinc/13/52/38/455135238.db2.gz NVJKUHXTPSAWAS-OIISXLGYSA-N 1 0 347.459 3.056 20 5 EGBDRO Cc1ccc([C@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)N2CCCC2)o1 ZINC000237636323 455200802 /nfs/dbraw/zinc/20/08/02/455200802.db2.gz YRLFGUKDDZWRRM-AWEZNQCLSA-N 1 0 335.429 3.484 20 5 EGBDRO C[C@H](C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000245440835 455300291 /nfs/dbraw/zinc/30/02/91/455300291.db2.gz GUQCYPBYAWZVFV-GDBMZVCRSA-N 1 0 326.400 3.280 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCC[C@@H]4CCC[C@H]43)n2)cc1 ZINC000245465697 455308681 /nfs/dbraw/zinc/30/86/81/455308681.db2.gz YPKXUQNICOGEDR-SWLSCSKDSA-N 1 0 328.372 3.409 20 5 EGBDRO C[C@@H](CCNC(=O)c1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1ccccc1 ZINC000173602098 455315134 /nfs/dbraw/zinc/31/51/34/455315134.db2.gz QMJPBLFMWQYPNE-HNNXBMFYSA-N 1 0 341.411 3.235 20 5 EGBDRO CCCC(=O)N[C@@H]1CCC[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000245522955 455321061 /nfs/dbraw/zinc/32/10/61/455321061.db2.gz MKQSZKQIOGLOAG-HUUCEWRRSA-N 1 0 333.432 3.345 20 5 EGBDRO C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@H]1CCC[C@H]1O ZINC000245744784 455370748 /nfs/dbraw/zinc/37/07/48/455370748.db2.gz GOPHDWWIMWALMF-RHSMWYFYSA-N 1 0 330.384 3.448 20 5 EGBDRO C[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C(C)(C)c1ccccc1 ZINC000181771370 455381309 /nfs/dbraw/zinc/38/13/09/455381309.db2.gz NFVKXLOQWKKGNM-ZDUSSCGKSA-N 1 0 341.411 3.150 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CC[C@@H]4CCCC[C@@H]43)n2)c1 ZINC000159689281 455396701 /nfs/dbraw/zinc/39/67/01/455396701.db2.gz ODDRSQWGVGCLJW-WFASDCNBSA-N 1 0 328.372 3.409 20 5 EGBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCC[NH+]1CCCCC1 ZINC000184652880 455421092 /nfs/dbraw/zinc/42/10/92/455421092.db2.gz LHDLXCFJBAEPDB-QGZVFWFLSA-N 1 0 347.459 3.156 20 5 EGBDRO CC[C@@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(C)cc1 ZINC000182177634 455453806 /nfs/dbraw/zinc/45/38/06/455453806.db2.gz HGEHSZMUGAIOTH-DLBZAZTESA-N 1 0 344.411 3.384 20 5 EGBDRO C[C@@H]([NH2+]Cc1ccnc(N2CCCC2)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283897193 455609469 /nfs/dbraw/zinc/60/94/69/455609469.db2.gz CSDMGQGCPNQEOL-CYBMUJFWSA-N 1 0 341.415 3.023 20 5 EGBDRO C[C@@H]([NH2+]C[C@@H]1CCN(c2ccccc2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283995629 455621915 /nfs/dbraw/zinc/62/19/15/455621915.db2.gz HNRCYTFGIGVCMF-CABCVRRESA-N 1 0 340.427 3.354 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]CCCN2C[C@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000247890573 455652046 /nfs/dbraw/zinc/65/20/46/455652046.db2.gz FFNHNMHOSCKPIV-JYJNAYRXSA-N 1 0 335.448 3.053 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCCOC[C@H]1CCCO1)CCC2 ZINC000192620503 455655887 /nfs/dbraw/zinc/65/58/87/455655887.db2.gz VXTWIXAFLYPGKN-AEFFLSMTSA-N 1 0 334.416 3.148 20 5 EGBDRO COC(=O)N1CCC([C@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000186048872 455684692 /nfs/dbraw/zinc/68/46/92/455684692.db2.gz WBDKSNNCPIVRIZ-STQMWFEESA-N 1 0 335.404 3.112 20 5 EGBDRO COc1ccc(NC(=O)CC[NH2+][C@@H]2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000192800497 455696420 /nfs/dbraw/zinc/69/64/20/455696420.db2.gz XSCHOTXCKWQFQN-TZMCWYRMSA-N 1 0 335.404 3.100 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000192930671 455720563 /nfs/dbraw/zinc/72/05/63/455720563.db2.gz AIKNDNDBZJIEML-UHFFFAOYSA-N 1 0 341.411 3.155 20 5 EGBDRO COC1(C)CC[NH+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000271681677 455720952 /nfs/dbraw/zinc/72/09/52/455720952.db2.gz CNWUPFFDXKJDCM-LBPRGKRZSA-N 1 0 346.387 3.207 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CC1(CCO)CCCC1)C1CC1 ZINC000268911172 455728338 /nfs/dbraw/zinc/72/83/38/455728338.db2.gz HSQIVOASKHYRID-KRWDZBQOSA-N 1 0 332.444 3.448 20 5 EGBDRO Cc1c(C[NH2+][C@H](C)c2ccc([S@@](C)=O)cc2)cccc1[N+](=O)[O-] ZINC000271768179 455752726 /nfs/dbraw/zinc/75/27/26/455752726.db2.gz DSMOARKMQZGWFG-JCQPUDPBSA-N 1 0 332.425 3.491 20 5 EGBDRO COC(=O)N1CCC([C@@H](C)[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000186414598 455762955 /nfs/dbraw/zinc/76/29/55/455762955.db2.gz OQRDYFTVJXCVRU-ZIAGYGMSSA-N 1 0 349.431 3.421 20 5 EGBDRO COc1cc2c(cc1OC)[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)CC2 ZINC000280005656 455880544 /nfs/dbraw/zinc/88/05/44/455880544.db2.gz GHWMEOBIXDAYMY-KRWDZBQOSA-N 1 0 342.395 3.432 20 5 EGBDRO Cc1cc(C(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000187251346 455886972 /nfs/dbraw/zinc/88/69/72/455886972.db2.gz GPBSARQUYKPDHM-KBXCAEBGSA-N 1 0 341.411 3.324 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000187249938 455887252 /nfs/dbraw/zinc/88/72/52/455887252.db2.gz NKXJYLUMLZFURD-KSSFIOAISA-N 1 0 341.411 3.324 20 5 EGBDRO Cc1sc(C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)cc1[N+](=O)[O-] ZINC000261820088 455953980 /nfs/dbraw/zinc/95/39/80/455953980.db2.gz XUNOBITYLPIQGT-UHFFFAOYSA-N 1 0 335.360 3.002 20 5 EGBDRO COc1ccc([C@H](CNc2ncc([N+](=O)[O-])s2)[NH+]2CCCC2)cc1 ZINC000195505696 455972399 /nfs/dbraw/zinc/97/23/99/455972399.db2.gz POZXEPKKXOILEN-AWEZNQCLSA-N 1 0 348.428 3.309 20 5 EGBDRO COc1cc(C[NH2+]CC2CCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272504511 455973927 /nfs/dbraw/zinc/97/39/27/455973927.db2.gz WBKFUNYASIPUTJ-UHFFFAOYSA-N 1 0 330.331 3.137 20 5 EGBDRO C[C@H]([NH2+]Cc1ccnc(C(F)(F)F)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000296590445 455981800 /nfs/dbraw/zinc/98/18/00/455981800.db2.gz UXYVAYZNARVWTO-VIFPVBQESA-N 1 0 340.305 3.442 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000272633336 456020643 /nfs/dbraw/zinc/02/06/43/456020643.db2.gz XHOCLMOGGPVKHQ-AWEZNQCLSA-N 1 0 348.447 3.406 20 5 EGBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccnc1Cl ZINC000296829447 456047902 /nfs/dbraw/zinc/04/79/02/456047902.db2.gz WIYHYQCTSJIQJP-WDEREUQCSA-N 1 0 348.790 3.321 20 5 EGBDRO CC[NH+](CC)Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N)cc1 ZINC000188369865 456052680 /nfs/dbraw/zinc/05/26/80/456052680.db2.gz WGQLLBBQYODRPH-UHFFFAOYSA-N 1 0 342.399 3.271 20 5 EGBDRO Cc1cc(NCCCOC2CCOCC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272817768 456078108 /nfs/dbraw/zinc/07/81/08/456078108.db2.gz IHSDDFPGKCNQHQ-UHFFFAOYSA-N 1 0 345.399 3.449 20 5 EGBDRO COc1ccccc1[C@@H](CNc1nccc(C)c1[N+](=O)[O-])[NH+](C)C ZINC000301290738 456083747 /nfs/dbraw/zinc/08/37/47/456083747.db2.gz NKRWVBAVZRTNPL-CQSZACIVSA-N 1 0 330.388 3.022 20 5 EGBDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000332525381 456086969 /nfs/dbraw/zinc/08/69/69/456086969.db2.gz UXBTUBUNUUOQIR-AWEZNQCLSA-N 1 0 348.447 3.040 20 5 EGBDRO COc1cc(NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000301359521 456098878 /nfs/dbraw/zinc/09/88/78/456098878.db2.gz LMADBUPOAXVXKE-CQSZACIVSA-N 1 0 341.411 3.462 20 5 EGBDRO COCc1cc([N+](=O)[O-])ccc1NCC[N@@H+]1CCc2ccccc2C1 ZINC000301445342 456118227 /nfs/dbraw/zinc/11/82/27/456118227.db2.gz PNIYDWXHUIXKNE-UHFFFAOYSA-N 1 0 341.411 3.211 20 5 EGBDRO C[C@H](NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1=CC[N@H+](C)CC1 ZINC000272955017 456123680 /nfs/dbraw/zinc/12/36/80/456123680.db2.gz NATPUZVKVRYPHG-JTQLQIEISA-N 1 0 338.795 3.020 20 5 EGBDRO Cc1nc(N2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000301648917 456173214 /nfs/dbraw/zinc/17/32/14/456173214.db2.gz IVZDMXFPOOAUSD-OAHLLOKOSA-N 1 0 340.427 3.399 20 5 EGBDRO Cc1nc(NCCC[N@@H+]2CCc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000301663624 456178588 /nfs/dbraw/zinc/17/85/88/456178588.db2.gz VOSXQDHWFRBDIS-UHFFFAOYSA-N 1 0 326.400 3.159 20 5 EGBDRO CCC[N@@H+]1CC[C@@H](CNC(=O)Nc2cc([N+](=O)[O-])ccc2CC)C1 ZINC000289923363 456183764 /nfs/dbraw/zinc/18/37/64/456183764.db2.gz VYTQLIHZMJSRNL-ZDUSSCGKSA-N 1 0 334.420 3.011 20 5 EGBDRO C[C@H](NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000297447503 456223430 /nfs/dbraw/zinc/22/34/30/456223430.db2.gz LXQSTORUHDVGCT-LBPRGKRZSA-N 1 0 348.447 3.264 20 5 EGBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000275450785 456275110 /nfs/dbraw/zinc/27/51/10/456275110.db2.gz IVTLHGMWVVJKNM-HNNXBMFYSA-N 1 0 349.434 3.308 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H]1C(C)C ZINC000297741640 456284468 /nfs/dbraw/zinc/28/44/68/456284468.db2.gz CMYTYGDWRJMNOR-OAHLLOKOSA-N 1 0 335.404 3.052 20 5 EGBDRO O=[N+]([O-])c1cccc(F)c1NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000342917347 456312598 /nfs/dbraw/zinc/31/25/98/456312598.db2.gz MYVNDQGEBBIPRY-UHFFFAOYSA-N 1 0 330.363 3.457 20 5 EGBDRO Cc1cc(N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)ncc1[N+](=O)[O-] ZINC000302191811 456313045 /nfs/dbraw/zinc/31/30/45/456313045.db2.gz ZLTOPNMQJZXANL-GDBMZVCRSA-N 1 0 326.400 3.231 20 5 EGBDRO CC[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)[C@@H]1CCNC1=O ZINC000281776984 456316357 /nfs/dbraw/zinc/31/63/57/456316357.db2.gz MSIYUHAYVYEGHA-OAHLLOKOSA-N 1 0 345.424 3.034 20 5 EGBDRO CC1(C)CC(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC(C)(C)[NH2+]1 ZINC000298074396 456357216 /nfs/dbraw/zinc/35/72/16/456357216.db2.gz HQYCKUGDWRIXAL-UHFFFAOYSA-N 1 0 344.415 3.115 20 5 EGBDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000347829762 456389835 /nfs/dbraw/zinc/38/98/35/456389835.db2.gz ZGENEKWZBBPMAV-LBPRGKRZSA-N 1 0 339.461 3.287 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1N[C@@H]1CC[N@H+](CC3CCCC3)C1)CCN2 ZINC000302882951 456425933 /nfs/dbraw/zinc/42/59/33/456425933.db2.gz KKWCEVKPFVMXTN-CQSZACIVSA-N 1 0 330.432 3.239 20 5 EGBDRO O=C(C[N@@H+]1CCC[C@@H]2CCCC[C@@H]21)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000302914131 456436205 /nfs/dbraw/zinc/43/62/05/456436205.db2.gz UVFZYYROAAFLMJ-YOEHRIQHSA-N 1 0 343.427 3.139 20 5 EGBDRO COc1ccncc1C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000340402409 456439084 /nfs/dbraw/zinc/43/90/84/456439084.db2.gz FSDLVVFEIVUEAF-PBHICJAKSA-N 1 0 341.411 3.499 20 5 EGBDRO O=[N+]([O-])c1ccccc1CC[NH2+]C1CCN(CCC(F)(F)F)CC1 ZINC000291105854 456530012 /nfs/dbraw/zinc/53/00/12/456530012.db2.gz JVKOMUBQAHZDOZ-UHFFFAOYSA-N 1 0 345.365 3.144 20 5 EGBDRO CCO[C@H]1COCC[C@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000353158547 456530368 /nfs/dbraw/zinc/53/03/68/456530368.db2.gz WKFFIMSRNCDYJL-AEFFLSMTSA-N 1 0 346.383 3.138 20 5 EGBDRO C[N@@H+]1CCC[C@@H]2CN(c3nc4ccccc4cc3[N+](=O)[O-])CC[C@H]21 ZINC000276646944 456541403 /nfs/dbraw/zinc/54/14/03/456541403.db2.gz QEJZNLGGWLZAJY-GDBMZVCRSA-N 1 0 326.400 3.064 20 5 EGBDRO C[C@H](Cn1cccn1)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000337900585 456592337 /nfs/dbraw/zinc/59/23/37/456592337.db2.gz PTDMCEACOSYMDT-CYBMUJFWSA-N 1 0 326.356 3.230 20 5 EGBDRO C[C@@H]1C[C@H]1[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1ccc(Cl)cc1 ZINC000343400645 456594030 /nfs/dbraw/zinc/59/40/30/456594030.db2.gz IFBLMXKKVXSZFC-WDBKCZKBSA-N 1 0 334.807 3.469 20 5 EGBDRO COc1ccc(C[NH2+][C@@H]2CCCc3ccc(O)cc32)cc1[N+](=O)[O-] ZINC000291338910 456611545 /nfs/dbraw/zinc/61/15/45/456611545.db2.gz WGQBMWDJSWWTKQ-MRXNPFEDSA-N 1 0 328.368 3.476 20 5 EGBDRO C[C@@H]1CC[N@H+](C)CCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000353433298 456695255 /nfs/dbraw/zinc/69/52/55/456695255.db2.gz FNAUVHSPWPYMFR-CQSZACIVSA-N 1 0 329.400 3.381 20 5 EGBDRO C[C@H]([NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])c1cnn(C)c1 ZINC000338225949 456716432 /nfs/dbraw/zinc/71/64/32/456716432.db2.gz KVMKILSHRFDREX-ZQIUZPCESA-N 1 0 328.416 3.390 20 5 EGBDRO CC[C@@H]([NH2+]C1CCN(c2cccnn2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000277240604 456739271 /nfs/dbraw/zinc/73/92/71/456739271.db2.gz ZUAQVUBFGYIAGW-QGZVFWFLSA-N 1 0 341.415 3.095 20 5 EGBDRO CC[C@H]([NH2+]C1CCN(c2cccnn2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000277240601 456739350 /nfs/dbraw/zinc/73/93/50/456739350.db2.gz ZUAQVUBFGYIAGW-KRWDZBQOSA-N 1 0 341.415 3.095 20 5 EGBDRO C[C@H](NCc1ccc([N+](=O)[O-])c(F)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000283278386 456750557 /nfs/dbraw/zinc/75/05/57/456750557.db2.gz WZQAONPYUPQOFK-ZFWWWQNUSA-N 1 0 335.423 3.477 20 5 EGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCCN(c3ccccc3)CC2)cc1F ZINC000283609796 456811354 /nfs/dbraw/zinc/81/13/54/456811354.db2.gz QZVZCELXRZGXMC-UHFFFAOYSA-N 1 0 329.375 3.446 20 5 EGBDRO Cc1cc([N+](=O)[O-])cnc1NCC1([NH+]2CCSCC2)CCCC1 ZINC000301165897 456811733 /nfs/dbraw/zinc/81/17/33/456811733.db2.gz CANUFBATYMXUGM-UHFFFAOYSA-N 1 0 336.461 3.072 20 5 EGBDRO Cc1ccc(C[NH2+][C@H](CC(=O)N(C)C)c2ccccc2)cc1[N+](=O)[O-] ZINC000353756577 456893166 /nfs/dbraw/zinc/89/31/66/456893166.db2.gz WDXHFJGGHCWFKK-QGZVFWFLSA-N 1 0 341.411 3.212 20 5 EGBDRO C[C@H](CO)[N@H+](C)Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000349299825 456936689 /nfs/dbraw/zinc/93/66/89/456936689.db2.gz RHPBPEJHDDGHGM-GFCCVEGCSA-N 1 0 334.347 3.339 20 5 EGBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2cnn3ccccc23)cc1[N+](=O)[O-] ZINC000353918103 456964954 /nfs/dbraw/zinc/96/49/54/456964954.db2.gz IFCPJVPLACHFBD-CYBMUJFWSA-N 1 0 340.383 3.492 20 5 EGBDRO Cc1c([C@@H](C)[NH2+]Cc2ccc3c(c2)C(=O)NCC3)cccc1[N+](=O)[O-] ZINC000349682298 457014799 /nfs/dbraw/zinc/01/47/99/457014799.db2.gz AIAAGIJTUBOQQH-CYBMUJFWSA-N 1 0 339.395 3.040 20 5 EGBDRO C[C@H]([NH2+][C@@H]1CCCN(CC(C)(C)C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000330900476 457101475 /nfs/dbraw/zinc/10/14/75/457101475.db2.gz OKKMLITYXQIXBN-XJKSGUPXSA-N 1 0 333.432 3.283 20 5 EGBDRO Cc1c(CC(=O)Nc2ccccc2CC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000354212163 457134576 /nfs/dbraw/zinc/13/45/76/457134576.db2.gz PLMBWHXOPURGKN-UHFFFAOYSA-N 1 0 341.411 3.189 20 5 EGBDRO C[C@@H]1[C@H](C)N(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC[N@H+]1C ZINC000356788838 457167406 /nfs/dbraw/zinc/16/74/06/457167406.db2.gz DRJWKAGBMQCNMU-KGLIPLIRSA-N 1 0 326.400 3.186 20 5 EGBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]C[C@H]2CCC[C@@H](CO)C2)c1 ZINC000342239839 457186476 /nfs/dbraw/zinc/18/64/76/457186476.db2.gz GPKLQJUSTZETBP-NWDGAFQWSA-N 1 0 344.358 3.085 20 5 EGBDRO C[NH2+]C[C@@H]1CCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000347049096 457203185 /nfs/dbraw/zinc/20/31/85/457203185.db2.gz PZDPVAWNIPHKMH-AWEZNQCLSA-N 1 0 329.400 3.286 20 5 EGBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC000354417749 457209506 /nfs/dbraw/zinc/20/95/06/457209506.db2.gz CNWIWCXNZKZFOU-AAEUAGOBSA-N 1 0 339.823 3.193 20 5 EGBDRO COc1cc(C[NH2+]Cc2cccc3cc[nH]c32)c([N+](=O)[O-])cc1O ZINC000342304871 457226578 /nfs/dbraw/zinc/22/65/78/457226578.db2.gz HIWFGOFMRBRSID-UHFFFAOYSA-N 1 0 327.340 3.080 20 5 EGBDRO CC(C)c1ccc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000332247982 457334565 /nfs/dbraw/zinc/33/45/65/457334565.db2.gz BDXCTCFKSAWEQS-CVEARBPZSA-N 1 0 331.416 3.075 20 5 EGBDRO C[NH+](C)Cc1cccc(CNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)c1 ZINC000347296663 457338661 /nfs/dbraw/zinc/33/86/61/457338661.db2.gz FZWINCSCXKLLGY-UHFFFAOYSA-N 1 0 346.362 3.117 20 5 EGBDRO CC(=Cc1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@H](c2nnc(C)[nH]2)C1 ZINC000347350408 457368283 /nfs/dbraw/zinc/36/82/83/457368283.db2.gz AVVQNCATRHUUMH-LRFDDAOPSA-N 1 0 341.415 3.304 20 5 EGBDRO O=[N+]([O-])c1cccc2ncnc(N[C@@H]3CC[N@H+](Cc4ccccc4)C3)c21 ZINC000347404494 457404544 /nfs/dbraw/zinc/40/45/44/457404544.db2.gz XGDXUIVDRXAASO-OAHLLOKOSA-N 1 0 349.394 3.224 20 5 EGBDRO Cc1cc([N+](=O)[O-])cnc1N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425272542 457477225 /nfs/dbraw/zinc/47/72/25/457477225.db2.gz GNPFVJVNFHMYCK-FUHWJXTLSA-N 1 0 338.411 3.009 20 5 EGBDRO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+](C)CC ZINC000347580702 457523724 /nfs/dbraw/zinc/52/37/24/457523724.db2.gz AMUUPGKINMVXMK-UHFFFAOYSA-N 1 0 339.461 3.169 20 5 EGBDRO CCc1nn(C)c(Nc2ccc3c(c2)nc(C2CC2)n3C)c1[N+](=O)[O-] ZINC000361041481 457535625 /nfs/dbraw/zinc/53/56/25/457535625.db2.gz FPHCHJMNEZZKRG-UHFFFAOYSA-N 1 0 340.387 3.398 20 5 EGBDRO CNc1c(C(=O)NCCC[N@H+](C)C2CCCCC2)cccc1[N+](=O)[O-] ZINC000361117001 457592388 /nfs/dbraw/zinc/59/23/88/457592388.db2.gz HFDYOORYYMUACE-UHFFFAOYSA-N 1 0 348.447 3.021 20 5 EGBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000361170276 457627080 /nfs/dbraw/zinc/62/70/80/457627080.db2.gz YHHWCGFXTPYFLE-KBPBESRZSA-N 1 0 329.400 3.379 20 5 EGBDRO CCO[C@@H]1C[C@H]([N@H+](C)CCOc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000357802031 457695162 /nfs/dbraw/zinc/69/51/62/457695162.db2.gz LDOFTRZKEZPOOX-DLBZAZTESA-N 1 0 334.416 3.253 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](CC(C)C)C(C)C ZINC000411178463 457821743 /nfs/dbraw/zinc/82/17/43/457821743.db2.gz YFKJCWRPKDXBNX-UHFFFAOYSA-N 1 0 337.420 3.298 20 5 EGBDRO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@@H](C)C(C)C ZINC000411196689 457826423 /nfs/dbraw/zinc/82/64/23/457826423.db2.gz JVTVTUSHRACYKJ-ZDUSSCGKSA-N 1 0 337.420 3.298 20 5 EGBDRO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1CCc2ccccc2C1 ZINC000444646469 457927783 /nfs/dbraw/zinc/92/77/83/457927783.db2.gz BHEXFEPVBPLUCO-HNNXBMFYSA-N 1 0 336.395 3.460 20 5 EGBDRO CC[C@H]1CCCC[C@H]1[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000444667063 457932845 /nfs/dbraw/zinc/93/28/45/457932845.db2.gz XZGQXMMNWITMFA-XJKSGUPXSA-N 1 0 349.431 3.443 20 5 EGBDRO CC[C@@H]1CCCC[C@@H]1[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000444668588 457933424 /nfs/dbraw/zinc/93/34/24/457933424.db2.gz VUZXVYAJQUEDRZ-OAGGEKHMSA-N 1 0 336.432 3.235 20 5 EGBDRO CC[C@@H]1CCCC[C@@H]1[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000444667061 457933710 /nfs/dbraw/zinc/93/37/10/457933710.db2.gz XZGQXMMNWITMFA-CJNGLKHVSA-N 1 0 349.431 3.443 20 5 EGBDRO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@H]1CCCC[C@@H]1C ZINC000444671257 457933924 /nfs/dbraw/zinc/93/39/24/457933924.db2.gz ZONOPGVSKVOBOE-BBRMVZONSA-N 1 0 349.431 3.443 20 5 EGBDRO CC[C@@H]1CCCC[C@@H]1[N@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000444675657 457934893 /nfs/dbraw/zinc/93/48/93/457934893.db2.gz MIEQCYLPDPPYCL-PBHICJAKSA-N 1 0 345.443 3.385 20 5 EGBDRO COCC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1CCC[C@@H]1C ZINC000444696185 457943818 /nfs/dbraw/zinc/94/38/18/457943818.db2.gz VDOCKFBYLIFLPW-BLLLJJGKSA-N 1 0 332.404 3.108 20 5 EGBDRO COc1ccc(NC(=O)CC[NH2+][C@@]2(C)CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000411815607 457985707 /nfs/dbraw/zinc/98/57/07/457985707.db2.gz JYGKCTYGJLBNNP-UGSOOPFHSA-N 1 0 349.431 3.490 20 5 EGBDRO CC1(C)CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCS1 ZINC000434688824 458035147 /nfs/dbraw/zinc/03/51/47/458035147.db2.gz QBNVXMGLADKLQW-UHFFFAOYSA-N 1 0 337.445 3.141 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCn2ccnc2C1 ZINC000427880542 458047009 /nfs/dbraw/zinc/04/70/09/458047009.db2.gz WNSSZRCBEKCGCH-UAGQMJEPSA-N 1 0 340.427 3.107 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@@H](N2CCCC2=O)CC1 ZINC000412054413 458071056 /nfs/dbraw/zinc/07/10/56/458071056.db2.gz IIECMCJKCBBNCE-HZPDHXFCSA-N 1 0 345.443 3.441 20 5 EGBDRO C[NH2+][C@H]1CCN(Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000435398476 458137977 /nfs/dbraw/zinc/13/79/77/458137977.db2.gz PHYVSBCSMHERLT-HNNXBMFYSA-N 1 0 345.374 3.320 20 5 EGBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@H]1C ZINC000446493065 458192578 /nfs/dbraw/zinc/19/25/78/458192578.db2.gz DMDIFNYZRKLSNM-ZIAGYGMSSA-N 1 0 334.420 3.240 20 5 EGBDRO Cc1cccc(NC[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)n1 ZINC000369496984 458237915 /nfs/dbraw/zinc/23/79/15/458237915.db2.gz RZPKPTHDAXQRLN-GFCCVEGCSA-N 1 0 346.412 3.076 20 5 EGBDRO CCC1(CC)[C@@H]([NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1OC ZINC000429287448 458308790 /nfs/dbraw/zinc/30/87/90/458308790.db2.gz UHUJYLANYWKWFC-HOTGVXAUSA-N 1 0 349.431 3.107 20 5 EGBDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1F ZINC000447559873 458311330 /nfs/dbraw/zinc/31/13/30/458311330.db2.gz BKRQQBJMKHVTII-CABCVRRESA-N 1 0 348.378 3.213 20 5 EGBDRO CCOc1cccc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000369683168 458315082 /nfs/dbraw/zinc/31/50/82/458315082.db2.gz JQGFUPAYNKBRRC-UHFFFAOYSA-N 1 0 330.388 3.027 20 5 EGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1NCCc2ccccc21 ZINC000423430161 458431370 /nfs/dbraw/zinc/43/13/70/458431370.db2.gz POCIXDQLGHPFJH-KBXCAEBGSA-N 1 0 325.412 3.002 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1NCCc3ccccc31)CCC2 ZINC000423445534 458434781 /nfs/dbraw/zinc/43/47/81/458434781.db2.gz YJCSXJBVPPFVPE-UXHICEINSA-N 1 0 337.423 3.449 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H](N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)CCC2 ZINC000423535802 458453777 /nfs/dbraw/zinc/45/37/77/458453777.db2.gz YJQKWUWESHRWNA-SLFFLAALSA-N 1 0 337.423 3.317 20 5 EGBDRO CC(C)c1ccc(C(=O)N2CCC3(CC[NH2+]CC3)CC2)cc1[N+](=O)[O-] ZINC000423615044 458464059 /nfs/dbraw/zinc/46/40/59/458464059.db2.gz TYTVTEKRCRTPEL-UHFFFAOYSA-N 1 0 345.443 3.324 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H](CO)Cc1cccc(C)c1 ZINC000468611091 458528028 /nfs/dbraw/zinc/52/80/28/458528028.db2.gz UTDOTUFULDAXEI-OUQXZNHLSA-N 1 0 340.423 3.500 20 5 EGBDRO Cn1c2ccccc2nc1CC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000438533419 458592210 /nfs/dbraw/zinc/59/22/10/458592210.db2.gz YXNSMROKAMNSFJ-UHFFFAOYSA-N 1 0 336.395 3.082 20 5 EGBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@H+](CC)C(C)C ZINC000462998373 458669089 /nfs/dbraw/zinc/66/90/89/458669089.db2.gz VWFZGQXPSVLMCU-MRXNPFEDSA-N 1 0 335.448 3.010 20 5 EGBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(c2ccnc3c2cccc3[N+](=O)[O-])C[C@@H](C)C1 ZINC000432146986 458690349 /nfs/dbraw/zinc/69/03/49/458690349.db2.gz DOGNTBOLOVPUFU-LBTNJELSSA-N 1 0 340.427 3.310 20 5 EGBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@H]2CCCCC23CCCC3)c1 ZINC000463446976 458700833 /nfs/dbraw/zinc/70/08/33/458700833.db2.gz VDTICMDSOAUKMV-WMZOPIPTSA-N 1 0 348.443 3.427 20 5 EGBDRO O=[N+]([O-])c1cccc2c(N3CCC[C@H]([NH+]4CCCC4)C3)ccnc21 ZINC000432313474 458712637 /nfs/dbraw/zinc/71/26/37/458712637.db2.gz RNZDKKZJABASMG-AWEZNQCLSA-N 1 0 326.400 3.208 20 5 EGBDRO C[C@H]1C[C@H](O)C[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000471809590 458734151 /nfs/dbraw/zinc/73/41/51/458734151.db2.gz IMYJPALCMIOGMG-JQWIXIFHSA-N 1 0 336.775 3.463 20 5 EGBDRO CCC[C@H]1[C@H](C)CCC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000464734929 458766359 /nfs/dbraw/zinc/76/63/59/458766359.db2.gz KTHJOKQELQTZKG-PBHICJAKSA-N 1 0 333.432 3.458 20 5 EGBDRO COC(=O)COc1ccc(C[N@H+](C)[C@H](C)C(C)(C)C)cc1[N+](=O)[O-] ZINC000530553333 458790226 /nfs/dbraw/zinc/79/02/26/458790226.db2.gz MIZCRPYSPCWCHK-GFCCVEGCSA-N 1 0 338.404 3.013 20 5 EGBDRO COC(=O)N1CCC[C@H]([C@H](C)[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000495555445 458881677 /nfs/dbraw/zinc/88/16/77/458881677.db2.gz FZHPTBDZDOPETD-IHRRRGAJSA-N 1 0 335.404 3.112 20 5 EGBDRO CCC[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000466486667 458901690 /nfs/dbraw/zinc/90/16/90/458901690.db2.gz PIWUAJARVGXRGM-UONOGXRCSA-N 1 0 349.431 3.443 20 5 EGBDRO Cc1ccccc1C[C@@H](CO)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000466900038 458929770 /nfs/dbraw/zinc/92/97/70/458929770.db2.gz OSRAWIGZPOXSKB-TWVNLXSWSA-N 1 0 326.396 3.110 20 5 EGBDRO Cc1c(NC(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)cccc1[N+](=O)[O-] ZINC000576959849 458957196 /nfs/dbraw/zinc/95/71/96/458957196.db2.gz WLHSORFHFGWZPB-INIZCTEOSA-N 1 0 346.431 3.145 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H](CO)Cc1ccccc1 ZINC000531953172 459007065 /nfs/dbraw/zinc/00/70/65/459007065.db2.gz WQUMLZFCLNIGGU-DOTOQJQBSA-N 1 0 328.412 3.405 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCC[C@@H](C(=O)N(C)C)C1 ZINC000531967169 459010084 /nfs/dbraw/zinc/01/00/84/459010084.db2.gz CNKBDQDZLRMJCY-ZNMIVQPWSA-N 1 0 333.432 3.201 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC(C)(C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000532198341 459046613 /nfs/dbraw/zinc/04/66/13/459046613.db2.gz RNMJXAHYODBFGE-XHSDSOJGSA-N 1 0 349.475 3.442 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CC[C@](O)(C(F)(F)F)C1 ZINC000589949553 459056425 /nfs/dbraw/zinc/05/64/25/459056425.db2.gz CADYCUFYORZALK-MISXGVKJSA-N 1 0 332.322 3.400 20 5 EGBDRO Cc1c([C@@H](C)[NH2+][C@H](CO)Cc2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000557274362 459060524 /nfs/dbraw/zinc/06/05/24/459060524.db2.gz SFPOLJVIEZJILP-CJNGLKHVSA-N 1 0 332.375 3.297 20 5 EGBDRO COc1ccc([C@H](CCO)[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000594500878 459063090 /nfs/dbraw/zinc/06/30/90/459063090.db2.gz BWJDCGRTPUREGR-ROUUACIJSA-N 1 0 342.395 3.304 20 5 EGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@@H](CO)Cc1ccc(F)cc1 ZINC000594503371 459065526 /nfs/dbraw/zinc/06/55/26/459065526.db2.gz LMLFLSJOJGBUQS-KBXCAEBGSA-N 1 0 344.386 3.162 20 5 EGBDRO CCN(CC[NH+]1CCCCCC1)C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000558051940 459129171 /nfs/dbraw/zinc/12/91/71/459129171.db2.gz IRDLEPRCAWCEIU-INIZCTEOSA-N 1 0 347.459 3.423 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(CN3C[C@H]4C[NH2+]C[C@H]4C3)o2)c(Cl)c1 ZINC000479965334 459175166 /nfs/dbraw/zinc/17/51/66/459175166.db2.gz PKVUXWYJZONPIQ-TXEJJXNPSA-N 1 0 347.802 3.159 20 5 EGBDRO CC1(C)[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@@H]2CCCO[C@@H]21 ZINC000590756331 459206440 /nfs/dbraw/zinc/20/64/40/459206440.db2.gz OJZNKOGQWPFWHW-XZJROXQQSA-N 1 0 331.372 3.029 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)NC1CC[NH+](C2CCC2)CC1 ZINC000595015467 459216405 /nfs/dbraw/zinc/21/64/05/459216405.db2.gz NSYKRWGXTHBRNL-ZDUSSCGKSA-N 1 0 333.432 3.271 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC1(SC)CCOCC1 ZINC000595030267 459221809 /nfs/dbraw/zinc/22/18/09/459221809.db2.gz ZVTCGNQCNPSKSZ-GFCCVEGCSA-N 1 0 340.445 3.166 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H](CO)Cc1ccc(C)cc1 ZINC000595041343 459225499 /nfs/dbraw/zinc/22/54/99/459225499.db2.gz PEKWYHBIGWZACV-ZBFHGGJFSA-N 1 0 344.411 3.166 20 5 EGBDRO CC[C@H](C)[C@H](C)[N@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C1CC1 ZINC000533422405 459231414 /nfs/dbraw/zinc/23/14/14/459231414.db2.gz KFZQLSBWGFWBTJ-STQMWFEESA-N 1 0 349.431 3.441 20 5 EGBDRO CSCC1(CC[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000595067401 459234852 /nfs/dbraw/zinc/23/48/52/459234852.db2.gz ICVWMSDEGAYBCU-ZIAGYGMSSA-N 1 0 338.477 3.398 20 5 EGBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCCOC(C)(C)C ZINC000595078050 459238685 /nfs/dbraw/zinc/23/86/85/459238685.db2.gz XHBCKDPLUZHGMX-CYBMUJFWSA-N 1 0 337.420 3.107 20 5 EGBDRO Cn1ncc(C2CC2)c1C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000595079311 459239524 /nfs/dbraw/zinc/23/95/24/459239524.db2.gz VYGUKEWIEKZYOI-KRWDZBQOSA-N 1 0 326.400 3.373 20 5 EGBDRO CC[C@H]([NH2+]CC(C)(C)[C@]1(O)CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000595099969 459245956 /nfs/dbraw/zinc/24/59/56/459245956.db2.gz HMVQXFGIDZJTAC-WMZOPIPTSA-N 1 0 336.432 3.203 20 5 EGBDRO COc1ccc(OCCN(C)Cc2ccc(F)cc2[N+](=O)[O-])cc1 ZINC000595286484 459266409 /nfs/dbraw/zinc/26/64/09/459266409.db2.gz JCSKDBVYUQMVIH-UHFFFAOYSA-N 1 0 334.347 3.253 20 5 EGBDRO CC(C)[N@@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C1 ZINC000534148415 459293863 /nfs/dbraw/zinc/29/38/63/459293863.db2.gz RRHIMDNEYPRQBM-HNNXBMFYSA-N 1 0 340.427 3.221 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000482240565 459298315 /nfs/dbraw/zinc/29/83/15/459298315.db2.gz GXHRBEUQPOATSG-UHFFFAOYSA-N 1 0 342.395 3.261 20 5 EGBDRO CCOCCC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])c(C)c2)[C@H](C)C1 ZINC000523753232 459330118 /nfs/dbraw/zinc/33/01/18/459330118.db2.gz QIYIUPCPUUQPPZ-NVXWUHKLSA-N 1 0 335.448 3.452 20 5 EGBDRO COc1ccc([C@@H](CO)C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000591245109 459339933 /nfs/dbraw/zinc/33/99/33/459339933.db2.gz KAXBNLPTCFYRDJ-GDBMZVCRSA-N 1 0 344.411 3.339 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1ccc(CNC[C@@H]2C[C@H](F)C[NH2+]2)s1 ZINC000591281842 459347461 /nfs/dbraw/zinc/34/74/61/459347461.db2.gz OMUXIRJNVSTIBQ-RYUDHWBXSA-N 1 0 335.404 3.113 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H](C(C)(C)C)C1 ZINC000483256204 459354745 /nfs/dbraw/zinc/35/47/45/459354745.db2.gz RUSJHTOPBMKYFT-CYBMUJFWSA-N 1 0 349.431 3.300 20 5 EGBDRO C[N@H+](CCOc1ccccc1C(C)(C)C)CCn1ccc([N+](=O)[O-])n1 ZINC000483318669 459359479 /nfs/dbraw/zinc/35/94/79/459359479.db2.gz YZTSAEKPVKKFTC-UHFFFAOYSA-N 1 0 346.431 3.100 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[C@H](Oc2ccccc2)C1 ZINC000569099900 459395811 /nfs/dbraw/zinc/39/58/11/459395811.db2.gz SAOSMIWQHOPDTN-KRWDZBQOSA-N 1 0 328.368 3.257 20 5 EGBDRO Cc1ccc([C@H](C)NC(=O)C[C@@H]([NH3+])Cc2ccccc2)cc1[N+](=O)[O-] ZINC000569109859 459397350 /nfs/dbraw/zinc/39/73/50/459397350.db2.gz RWUKSDBSBMTYTO-YOEHRIQHSA-N 1 0 341.411 3.041 20 5 EGBDRO CCC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000524892784 459402330 /nfs/dbraw/zinc/40/23/30/459402330.db2.gz NAXVGPNXQCBYFQ-KURKYZTESA-N 1 0 348.443 3.499 20 5 EGBDRO CC(C)C[C@](C)(C[NH3+])NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000591676302 459420477 /nfs/dbraw/zinc/42/04/77/459420477.db2.gz KNIYLBCXYAMZFF-CQSZACIVSA-N 1 0 347.337 3.107 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2nc(C[NH2+][C@H](CO)C3CCCCC3)co2)cc1 ZINC000541052788 459421318 /nfs/dbraw/zinc/42/13/18/459421318.db2.gz JVHUCBFKOOTBST-QGZVFWFLSA-N 1 0 345.399 3.281 20 5 EGBDRO CC[C@@H](c1ccccc1)[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)C ZINC000595848619 459463812 /nfs/dbraw/zinc/46/38/12/459463812.db2.gz BHAQJGIFLXMGBL-ROUUACIJSA-N 1 0 346.431 3.014 20 5 EGBDRO COc1ccc(NC(=O)C[NH2+]C(C)(C)c2cccs2)c([N+](=O)[O-])c1 ZINC000541644773 459477082 /nfs/dbraw/zinc/47/70/82/459477082.db2.gz SYQWUUKRLYIAJD-UHFFFAOYSA-N 1 0 349.412 3.128 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1CNC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000596060018 459505206 /nfs/dbraw/zinc/50/52/06/459505206.db2.gz XQKFCMQRDFVAGG-MRXNPFEDSA-N 1 0 347.459 3.205 20 5 EGBDRO CSCCCCC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000569792270 459510661 /nfs/dbraw/zinc/51/06/61/459510661.db2.gz WLTOIJBDABGMRD-KGLIPLIRSA-N 1 0 326.466 3.398 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](NCCN2CCCCC2)C(F)(F)F)cc1 ZINC000569817528 459515000 /nfs/dbraw/zinc/51/50/00/459515000.db2.gz OPDITGKKSGCCQS-AWEZNQCLSA-N 1 0 331.338 3.274 20 5 EGBDRO COCC[NH+]1CCC(Nc2ccc(C(F)F)cc2[N+](=O)[O-])CC1 ZINC000596090704 459515724 /nfs/dbraw/zinc/51/57/24/459515724.db2.gz TVEAEBDYQDQHLZ-UHFFFAOYSA-N 1 0 329.347 3.055 20 5 EGBDRO O=c1[nH]ccc(NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000596091808 459517708 /nfs/dbraw/zinc/51/77/08/459517708.db2.gz DDYXFYYRVZEUDS-HNNXBMFYSA-N 1 0 342.399 3.020 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000596094377 459518527 /nfs/dbraw/zinc/51/85/27/459518527.db2.gz LRRHAQZIPTZROK-GOEBONIOSA-N 1 0 347.459 3.376 20 5 EGBDRO C[C@H](c1ccccc1)[NH+]1CCC(Nc2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596132418 459531574 /nfs/dbraw/zinc/53/15/74/459531574.db2.gz KOLHPPMTNYDDFH-CYBMUJFWSA-N 1 0 342.399 3.333 20 5 EGBDRO O=[N+]([O-])c1ccc(OCCC[NH2+][C@H](CCO)c2ccccc2F)cc1 ZINC000592162392 459541348 /nfs/dbraw/zinc/54/13/48/459541348.db2.gz ZVJSIWWCYGYWHP-GOSISDBHSA-N 1 0 348.374 3.216 20 5 EGBDRO Cc1cc(NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)c([N+](=O)[O-])s1 ZINC000596189537 459554784 /nfs/dbraw/zinc/55/47/84/459554784.db2.gz JPIOLPZIXHBMKS-HNNXBMFYSA-N 1 0 347.440 3.143 20 5 EGBDRO CC[NH+](CC)[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1C)CC(C)C ZINC000498034392 459565646 /nfs/dbraw/zinc/56/56/46/459565646.db2.gz SMYVJVCGRFBVLL-OAHLLOKOSA-N 1 0 335.448 3.390 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](O)COc1ccccc1 ZINC000527038634 459580315 /nfs/dbraw/zinc/58/03/15/459580315.db2.gz LFUNKOMXAOOPII-BXBOZWQASA-N 1 0 342.395 3.028 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000498353250 459584071 /nfs/dbraw/zinc/58/40/71/459584071.db2.gz KGBXSLZGIITXCN-KRWDZBQOSA-N 1 0 333.432 3.144 20 5 EGBDRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(C)c1)CC(C)C ZINC000498457701 459590745 /nfs/dbraw/zinc/59/07/45/459590745.db2.gz ORFHCGSXASFLJU-MRXNPFEDSA-N 1 0 335.448 3.390 20 5 EGBDRO CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000562702359 459626668 /nfs/dbraw/zinc/62/66/68/459626668.db2.gz PCCJQQJMALTTCY-HNNXBMFYSA-N 1 0 347.459 3.205 20 5 EGBDRO O=[N+]([O-])c1ccsc1NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000596441143 459636618 /nfs/dbraw/zinc/63/66/18/459636618.db2.gz OUYHZUQIWRAFTA-UHFFFAOYSA-N 1 0 332.429 3.375 20 5 EGBDRO CC[NH+](CC)Cc1ccc(C(=O)N2CCc3cc([N+](=O)[O-])ccc32)o1 ZINC000592619565 459647567 /nfs/dbraw/zinc/64/75/67/459647567.db2.gz CKSNIMHQBVSVTI-UHFFFAOYSA-N 1 0 343.383 3.233 20 5 EGBDRO C[C@@H](C[NH+]1CCC(C)CC1)Nc1ncnc2sc([N+](=O)[O-])cc21 ZINC000596487323 459654119 /nfs/dbraw/zinc/65/41/19/459654119.db2.gz GMDXYVARKKWDGJ-NSHDSACASA-N 1 0 335.433 3.132 20 5 EGBDRO C[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]2CCCC[C@H]12 ZINC000501005017 459705212 /nfs/dbraw/zinc/70/52/12/459705212.db2.gz CSXVPNJEIQDTHN-FMKPAKJESA-N 1 0 331.416 3.434 20 5 EGBDRO C[N@@H+]1CCC[C@H]2CN(c3nccc4c3cccc4[N+](=O)[O-])CC[C@@H]21 ZINC000584391508 459725413 /nfs/dbraw/zinc/72/54/13/459725413.db2.gz PFVCVWVYNSCUFE-BBRMVZONSA-N 1 0 326.400 3.064 20 5 EGBDRO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@@H](C(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000544186180 459737914 /nfs/dbraw/zinc/73/79/14/459737914.db2.gz QPSSQIATMSRZRG-CYBMUJFWSA-N 1 0 349.431 3.300 20 5 EGBDRO CC[C@H]1COC(C)(C)C[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000593056325 459757730 /nfs/dbraw/zinc/75/77/30/459757730.db2.gz GATWFOOYOPHPAU-AWEZNQCLSA-N 1 0 349.431 3.121 20 5 EGBDRO CC[C@@H]1COC(C)(C)C[N@@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000593056385 459757780 /nfs/dbraw/zinc/75/77/80/459757780.db2.gz HSCWUQOAQWQAQE-CQSZACIVSA-N 1 0 349.431 3.121 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H](OC(C)C)C1 ZINC000593055899 459758058 /nfs/dbraw/zinc/75/80/58/459758058.db2.gz UBOKPKOABPRGND-MRXNPFEDSA-N 1 0 349.431 3.121 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000573967828 459763323 /nfs/dbraw/zinc/76/33/23/459763323.db2.gz TXMUNNBGMAZZEA-UHFFFAOYSA-N 1 0 348.447 3.495 20 5 EGBDRO Cc1cc(NC(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000596824984 459772352 /nfs/dbraw/zinc/77/23/52/459772352.db2.gz SMFSBYSYDBKPOS-OAHLLOKOSA-N 1 0 346.431 3.147 20 5 EGBDRO CC(C)[NH+]1CCC(N(C)C(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000574689986 459854946 /nfs/dbraw/zinc/85/49/46/459854946.db2.gz PYQHPBHWTBDYCO-CQSZACIVSA-N 1 0 333.432 3.030 20 5 EGBDRO CCC[N@@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])cc2OC(F)F)C1 ZINC000546190842 459903140 /nfs/dbraw/zinc/90/31/40/459903140.db2.gz CPEUZPUZCLVJDO-LLVKDONJSA-N 1 0 329.347 3.340 20 5 EGBDRO CC(C)(CNCc1nc2cc([N+](=O)[O-])ccc2o1)[NH+]1CCCCC1 ZINC000602501128 459971231 /nfs/dbraw/zinc/97/12/31/459971231.db2.gz ALTLCEBLAVIRRS-UHFFFAOYSA-N 1 0 332.404 3.090 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@H]2CCN(c3ccc(F)cc3)C2)cc1 ZINC000602520461 459979792 /nfs/dbraw/zinc/97/97/92/459979792.db2.gz GEBRKLVRPNCSJT-MRXNPFEDSA-N 1 0 343.402 3.393 20 5 EGBDRO CCOCCCC[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602519713 459980257 /nfs/dbraw/zinc/98/02/57/459980257.db2.gz INHBOVJCTAFHRN-UHFFFAOYSA-N 1 0 337.239 3.325 20 5 EGBDRO CC(=O)N1CC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)c2ccccc21 ZINC000598679709 459991237 /nfs/dbraw/zinc/99/12/37/459991237.db2.gz LHFNMQXAXKDIQQ-KRWDZBQOSA-N 1 0 339.395 3.491 20 5 EGBDRO C[C@@H]1CC[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)[C@@H](C)C1 ZINC000602549495 459992806 /nfs/dbraw/zinc/99/28/06/459992806.db2.gz CTHBUYYGFKHQLC-JKIFEVAISA-N 1 0 332.448 3.373 20 5 EGBDRO Cc1c(NC(=O)CC[N@@H+]2CC(C)(C)OCC2(C)C)cccc1[N+](=O)[O-] ZINC000609672081 460006132 /nfs/dbraw/zinc/00/61/32/460006132.db2.gz YAOMMIXSUPJOKM-UHFFFAOYSA-N 1 0 349.431 3.121 20 5 EGBDRO C[C@@H](O)[C@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602590824 460014289 /nfs/dbraw/zinc/01/42/89/460014289.db2.gz JCVNOQYWURFZRH-MNOVXSKESA-N 1 0 332.322 3.206 20 5 EGBDRO CC[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000609766770 460014943 /nfs/dbraw/zinc/01/49/43/460014943.db2.gz PCIDCYQBHUBPKW-UONOGXRCSA-N 1 0 349.431 3.443 20 5 EGBDRO Cn1c2ccccc2nc1CCC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602595569 460016477 /nfs/dbraw/zinc/01/64/77/460016477.db2.gz YXOVKCTWXZLBPC-UHFFFAOYSA-N 1 0 338.411 3.246 20 5 EGBDRO Cc1cnc([C@@H](C)C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)s1 ZINC000602613068 460022831 /nfs/dbraw/zinc/02/28/31/460022831.db2.gz MXICLFBKXGMQHT-VIFPVBQESA-N 1 0 332.385 3.394 20 5 EGBDRO COC(=O)c1cc([N+](=O)[O-])cc(-c2ccc(CC[NH+](C)C)cc2)c1C ZINC000593952697 460025208 /nfs/dbraw/zinc/02/52/08/460025208.db2.gz MRSZSQRKTDRERM-UHFFFAOYSA-N 1 0 342.395 3.461 20 5 EGBDRO C[C@@H]1C[NH+](CCCNc2ccc(C(F)F)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000589103205 460029908 /nfs/dbraw/zinc/02/99/08/460029908.db2.gz KTCQGYFSXZNAJI-VXGBXAGGSA-N 1 0 343.374 3.444 20 5 EGBDRO Cc1nccnc1CC[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602673988 460058505 /nfs/dbraw/zinc/05/85/05/460058505.db2.gz BCUBNQFVLHANQK-UHFFFAOYSA-N 1 0 340.305 3.044 20 5 EGBDRO C[C@H]1CCC[C@@]1(O)C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602677085 460060289 /nfs/dbraw/zinc/06/02/89/460060289.db2.gz RXNOJFZIOZTVOE-QPUJVOFHSA-N 1 0 349.250 3.060 20 5 EGBDRO COc1cc(C[N@@H+]2C[C@H](C)C[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000610133520 460070132 /nfs/dbraw/zinc/07/01/32/460070132.db2.gz ZICHOWIFCZJVRQ-ZJUUUORDSA-N 1 0 330.331 3.435 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H](CO)C3CC3)s2)cc1 ZINC000589326783 460073864 /nfs/dbraw/zinc/07/38/64/460073864.db2.gz GZAGBXASBRYBGU-AWEZNQCLSA-N 1 0 332.425 3.431 20 5 EGBDRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000597856010 460080200 /nfs/dbraw/zinc/08/02/00/460080200.db2.gz URUFHHAEUVUTOO-LLVKDONJSA-N 1 0 339.823 3.098 20 5 EGBDRO Cc1ccc(C[N@@H+]2CC[C@@H](OCc3ccccn3)C2)cc1[N+](=O)[O-] ZINC000602714450 460081821 /nfs/dbraw/zinc/08/18/21/460081821.db2.gz JHVKRVYLDCKLFG-QGZVFWFLSA-N 1 0 327.384 3.089 20 5 EGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]C[C@@H](CO)CC1CC1 ZINC000602715364 460082481 /nfs/dbraw/zinc/08/24/81/460082481.db2.gz GFQHAIFKVYHTBX-NSHDSACASA-N 1 0 332.322 3.112 20 5 EGBDRO CC(C)C[C@](C)(C[NH3+])NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000598914422 460092185 /nfs/dbraw/zinc/09/21/85/460092185.db2.gz CYHRCRYHILEVIQ-CQSZACIVSA-N 1 0 328.800 3.133 20 5 EGBDRO Cn1cc(C[NH+]2CCC(C)(F)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000602741188 460101537 /nfs/dbraw/zinc/10/15/37/460101537.db2.gz DZLBXJXPQSLLHE-UHFFFAOYSA-N 1 0 332.379 3.319 20 5 EGBDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000610281729 460105912 /nfs/dbraw/zinc/10/59/12/460105912.db2.gz CITMQWMKTVWBBU-AWEZNQCLSA-N 1 0 346.818 3.354 20 5 EGBDRO CCCC[N@H+](C)C[C@@H](C)Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000589598953 460107393 /nfs/dbraw/zinc/10/73/93/460107393.db2.gz RHAKIDWVTDQUKC-GFCCVEGCSA-N 1 0 334.420 3.012 20 5 EGBDRO CC(C)c1ccc(C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000597921912 460112682 /nfs/dbraw/zinc/11/26/82/460112682.db2.gz HTCKQCALGSKYNP-CQSZACIVSA-N 1 0 333.432 3.321 20 5 EGBDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000597922995 460114380 /nfs/dbraw/zinc/11/43/80/460114380.db2.gz ICXBGQAMDRHHPC-GFCCVEGCSA-N 1 0 347.440 3.412 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+]C(C)(C)c1cccc(Cl)c1F ZINC000602812880 460142093 /nfs/dbraw/zinc/14/20/93/460142093.db2.gz SDPBCUOATWTSKI-UHFFFAOYSA-N 1 0 340.786 3.417 20 5 EGBDRO C[S@](=O)c1ccc(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])cc1 ZINC000610575191 460187353 /nfs/dbraw/zinc/18/73/53/460187353.db2.gz MOLMZIKRWOCZJM-DOHLAZSCSA-N 1 0 330.409 3.135 20 5 EGBDRO Cc1ccc([C@@H](C)NC(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)cc1[N+](=O)[O-] ZINC000610644680 460204674 /nfs/dbraw/zinc/20/46/74/460204674.db2.gz IQBSWGPLZJEMHK-GDBMZVCRSA-N 1 0 348.447 3.136 20 5 EGBDRO Cc1c([C@H](C)[NH2+]C2CCN(CC(F)F)CC2)cccc1[N+](=O)[O-] ZINC000610806983 460240322 /nfs/dbraw/zinc/24/03/22/460240322.db2.gz NIBCULDWUKJPAK-LBPRGKRZSA-N 1 0 327.375 3.283 20 5 EGBDRO CO[C@]1(C(F)(F)F)CCCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000614923404 460245263 /nfs/dbraw/zinc/24/52/63/460245263.db2.gz AAYOKTZBYHAGLU-CQSZACIVSA-N 1 0 348.321 3.017 20 5 EGBDRO CC(C)(C)C[N@H+](CCO)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000611170788 460300289 /nfs/dbraw/zinc/30/02/89/460300289.db2.gz YZSNBKPSTHFTKB-UHFFFAOYSA-N 1 0 333.388 3.090 20 5 EGBDRO CC(C)[NH2+][C@H]1CCCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000611171900 460300314 /nfs/dbraw/zinc/30/03/14/460300314.db2.gz SLXAEDNREVFVEW-HNNXBMFYSA-N 1 0 344.415 3.212 20 5 EGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000611209198 460308182 /nfs/dbraw/zinc/30/81/82/460308182.db2.gz NBMXEDFGBJAMLJ-KEYYUXOJSA-N 1 0 343.427 3.131 20 5 EGBDRO Cc1ccc(C(=O)NCCC[N@@H+](C)C2CCCCC2)cc1[N+](=O)[O-] ZINC000603477901 460309750 /nfs/dbraw/zinc/30/97/50/460309750.db2.gz IUAAPOAJINWHJJ-UHFFFAOYSA-N 1 0 333.432 3.288 20 5 EGBDRO O=[N+]([O-])c1cc(CNc2ccc(C[NH+]3CCC(O)CC3)cc2)cs1 ZINC000611287944 460330330 /nfs/dbraw/zinc/33/03/30/460330330.db2.gz RACNWSPCZHURET-UHFFFAOYSA-N 1 0 347.440 3.225 20 5 EGBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@H](C[C@H]3CCOC3)C2)cc1 ZINC000611350104 460343289 /nfs/dbraw/zinc/34/32/89/460343289.db2.gz BGZRVSUULOUWTO-HZPDHXFCSA-N 1 0 334.416 3.112 20 5 EGBDRO CC[NH+](CC)[C@@H](CNc1cccnc1[N+](=O)[O-])Cc1ccccc1 ZINC000603848751 460347872 /nfs/dbraw/zinc/34/78/72/460347872.db2.gz KTJOGFJQXUFLNU-MRXNPFEDSA-N 1 0 328.416 3.355 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](c2ccnc(C)n2)C1 ZINC000619531133 460376092 /nfs/dbraw/zinc/37/60/92/460376092.db2.gz QGTMFTQECKAXRD-CQSZACIVSA-N 1 0 342.399 3.081 20 5 EGBDRO COC(=O)C(C)(C)[C@@H]1CCC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000611531823 460390014 /nfs/dbraw/zinc/39/00/14/460390014.db2.gz DOOUBLQMXUVKSS-OAHLLOKOSA-N 1 0 334.416 3.314 20 5 EGBDRO O=[N+]([O-])c1ccc2oc(C[NH2+][C@@H](CCO)C3CCCCC3)nc2c1 ZINC000612824268 460742294 /nfs/dbraw/zinc/74/22/94/460742294.db2.gz LWFYTMJXQUBSCM-AWEZNQCLSA-N 1 0 333.388 3.157 20 5 EGBDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000617715343 460960587 /nfs/dbraw/zinc/96/05/87/460960587.db2.gz FUZFPXXMSGWRQI-QAPCUYQASA-N 1 0 347.459 3.469 20 5 EGBDRO C[C@@H](C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000617831907 460989474 /nfs/dbraw/zinc/98/94/74/460989474.db2.gz SYGDFVMERBUZLL-GFCCVEGCSA-N 1 0 333.432 3.124 20 5 EGBDRO C[C@H](CNc1ncnc2ccc([N+](=O)[O-])cc21)[N@@H+]1CCC[C@@H](C)C1 ZINC000611701884 469305829 /nfs/dbraw/zinc/30/58/29/469305829.db2.gz RNBMZDJWGDWEFS-CHWSQXEVSA-N 1 0 329.404 3.070 20 5 EGBDRO C[C@H](NC(=O)c1csc([N+](=O)[O-])c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181553320 533780184 /nfs/dbraw/zinc/78/01/84/533780184.db2.gz GCOAJVNHIVAECI-RYUDHWBXSA-N 1 0 337.445 3.039 20 5 EGBDRO C[C@H]([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000459792965 518183655 /nfs/dbraw/zinc/18/36/55/518183655.db2.gz VCPDUWYFIPRQHL-FDEJFUCISA-N 1 0 328.372 3.484 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@@H](O)c1ccsc1)C1CC1 ZINC000154417356 534887866 /nfs/dbraw/zinc/88/78/66/534887866.db2.gz PZAPZUBOZYGVOA-NVXWUHKLSA-N 1 0 332.425 3.301 20 5 EGBDRO CCC[N@H+](C)C[C@H]1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000154072051 527849752 /nfs/dbraw/zinc/84/97/52/527849752.db2.gz XDAMCZRRPMXWRI-CQSZACIVSA-N 1 0 325.840 3.412 20 5 EGBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2C[C@H](C)N(C3CC3)C2)cc1[N+](=O)[O-] ZINC000154189050 528596288 /nfs/dbraw/zinc/59/62/88/528596288.db2.gz IDYUZBQOMZKJQI-GZBFAFLISA-N 1 0 333.432 3.269 20 5 EGBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CSCCS2)cc1[N+](=O)[O-] ZINC000154181754 528597343 /nfs/dbraw/zinc/59/73/43/528597343.db2.gz KEMKEFSLVCWPOA-YPMHNXCESA-N 1 0 342.486 3.493 20 5 EGBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H](C)Cn2ccnc2C)cc1[N+](=O)[O-] ZINC000153586062 528607297 /nfs/dbraw/zinc/60/72/97/528607297.db2.gz NVAFWUCMSOVRLQ-KBPBESRZSA-N 1 0 346.431 3.485 20 5 EGBDRO CC1(C)C[C@@H]([NH2+]Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C(C)(C)O1 ZINC000132681450 529140105 /nfs/dbraw/zinc/14/01/05/529140105.db2.gz WZAZJXBCULERJJ-CYBMUJFWSA-N 1 0 346.387 3.081 20 5 EGBDRO CC[C@H](C)[NH2+][C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000353348553 536173335 /nfs/dbraw/zinc/17/33/35/536173335.db2.gz HPCBQDZCBUFPHX-WFASDCNBSA-N 1 0 346.387 3.439 20 5 EGBDRO CCN(CC)C(=O)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000726607461 574563550 /nfs/dbraw/zinc/56/35/50/574563550.db2.gz WMJFPSGYRZCGSR-UHFFFAOYSA-N 1 0 347.440 3.281 20 5 EGBDRO O=C(C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])Nc1ccc(Cl)cc1 ZINC000726606365 574563622 /nfs/dbraw/zinc/56/36/22/574563622.db2.gz HZNPXCHRJASXBI-HWKANZROSA-N 1 0 345.786 3.490 20 5 EGBDRO CC(C)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000727438111 574667427 /nfs/dbraw/zinc/66/74/27/574667427.db2.gz PIBIFAOLAAFNHO-UHFFFAOYSA-N 1 0 331.338 3.392 20 5 EGBDRO CCCC[N@H+](C)CCNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000732891692 575294929 /nfs/dbraw/zinc/29/49/29/575294929.db2.gz DQAAJPNCMOLWNO-UHFFFAOYSA-N 1 0 328.800 3.102 20 5 EGBDRO CC1CCC([NH+]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3F)CC2)CC1 ZINC000734400621 575480081 /nfs/dbraw/zinc/48/00/81/575480081.db2.gz BVNWLSOEMJDUPH-UHFFFAOYSA-N 1 0 349.406 3.070 20 5 EGBDRO CN(C[C@H]1CCC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1Br ZINC000742407801 576780784 /nfs/dbraw/zinc/78/07/84/576780784.db2.gz MNHOCUCGIYOKIN-NSHDSACASA-N 1 0 342.237 3.135 20 5 EGBDRO CCC[N@H+](C)C[C@H]1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)C1 ZINC000742425148 576783069 /nfs/dbraw/zinc/78/30/69/576783069.db2.gz AVGDEDSZWKVNNQ-GFCCVEGCSA-N 1 0 334.445 3.373 20 5 EGBDRO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820413630 599367827 /nfs/dbraw/zinc/36/78/27/599367827.db2.gz SRFHYYFLBOSFAG-VXGBXAGGSA-N 1 0 338.371 3.187 20 5 EGBDRO Cc1c(C[N@@H+](C)C[C@@]2(O)CCc3ccccc32)cccc1[N+](=O)[O-] ZINC000829327550 1292562540 /nfs/dbraw/zinc/56/25/40/1292562540.db2.gz RAVHLJQOYRJLGO-IBGZPJMESA-N 1 0 326.396 3.169 20 5 EGBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000832264513 1292977923 /nfs/dbraw/zinc/97/79/23/1292977923.db2.gz CAWJVKWBNRHYIY-GFCCVEGCSA-N 1 0 341.839 3.407 20 5 EGBDRO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000122449371 1293413030 /nfs/dbraw/zinc/41/30/30/1293413030.db2.gz RSLZZBWYTPRQNU-LBPRGKRZSA-N 1 0 341.433 3.145 20 5 EGBDRO C[C@@H]1CCC[C@H]([NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@@H]1C ZINC000132034293 1293706759 /nfs/dbraw/zinc/70/67/59/1293706759.db2.gz LSPQOBKTQQALTK-JMSVASOKSA-N 1 0 337.395 3.477 20 5 EGBDRO C[C@H]([NH2+][C@@H](C)c1cccnc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000194721011 1296001943 /nfs/dbraw/zinc/00/19/43/1296001943.db2.gz CUTLQCQJTSOOID-QWRGUYRKSA-N 1 0 348.790 3.321 20 5 EGBDRO Cc1ccc(C(=O)NCCC2CC[NH+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000870960910 1296156059 /nfs/dbraw/zinc/15/60/59/1296156059.db2.gz RRBWZUZRHXLLFR-UHFFFAOYSA-N 1 0 333.432 3.144 20 5 EGBDRO Cc1nn(C[N@H+]2C[C@@H](c3ccc(F)cc3)C[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000246908284 1296375786 /nfs/dbraw/zinc/37/57/86/1296375786.db2.gz MTPMRZIXSRNRHR-ABAIWWIYSA-N 1 0 332.379 3.383 20 5 EGBDRO O=[N+]([O-])c1ccc(Br)cc1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250848764 1296457850 /nfs/dbraw/zinc/45/78/50/1296457850.db2.gz AZYPDCWSUXAXJY-NEPJUHHUSA-N 1 0 340.221 3.396 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCc2c[nH]nc2C1 ZINC000872043672 1296691580 /nfs/dbraw/zinc/69/15/80/1296691580.db2.gz KHVGRWQSLLFGBS-CMPLNLGQSA-N 1 0 332.429 3.248 20 5 EGBDRO CN(Cc1cccc([N+](=O)[O-])c1Br)[C@@H]1CCCC[C@H]1O ZINC000300487701 1296782509 /nfs/dbraw/zinc/78/25/09/1296782509.db2.gz NCTZVOGJPIRQPT-DGCLKSJQSA-N 1 0 343.221 3.093 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+]C2CN(C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000305256452 1297006047 /nfs/dbraw/zinc/00/60/47/1297006047.db2.gz SBURGAGKZQAJCT-GFCCVEGCSA-N 1 0 335.404 3.173 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]Cc1ccc(C[S@@](C)=O)cc1 ZINC000873126695 1297284304 /nfs/dbraw/zinc/28/43/04/1297284304.db2.gz JVLXKXSEBKBKDV-XMMPIXPASA-N 1 0 346.452 3.380 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]Cc1cccnc1N1CCCC1 ZINC000873134686 1297290301 /nfs/dbraw/zinc/29/03/01/1297290301.db2.gz BXFKVAVTEPTGCL-UHFFFAOYSA-N 1 0 340.427 3.497 20 5 EGBDRO Cn1ccnc1C[C@@H]1CCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000588458037 1298067288 /nfs/dbraw/zinc/06/72/88/1298067288.db2.gz UOZGWCGUFRWUIU-SBSDFTTDSA-N 1 0 340.427 3.296 20 5 EGBDRO Cc1nn(C[N@H+]2CC[C@H](Cc3ccccc3)[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000747467698 1298785817 /nfs/dbraw/zinc/78/58/17/1298785817.db2.gz LPBYXHSIJZSICK-WMLDXEAASA-N 1 0 328.416 3.319 20 5 EGBDRO CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000876655474 1298900200 /nfs/dbraw/zinc/90/02/00/1298900200.db2.gz LECWCGRFPBDMIO-INIZCTEOSA-N 1 0 347.459 3.340 20 5 EGBDRO COCCCOC1CC[NH+](Cc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000876754446 1298962820 /nfs/dbraw/zinc/96/28/20/1298962820.db2.gz CVTNWXSIZCXTDZ-UHFFFAOYSA-N 1 0 336.432 3.229 20 5 EGBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H](O)c2ccccc2C(F)(F)F)c1 ZINC000748819589 1299086785 /nfs/dbraw/zinc/08/67/85/1299086785.db2.gz IYHHYFDQLPMRBQ-OAHLLOKOSA-N 1 0 340.301 3.437 20 5 EGBDRO Cc1cccc(C)c1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000877112731 1299160524 /nfs/dbraw/zinc/16/05/24/1299160524.db2.gz YAJCFHPARWVPLL-UHFFFAOYSA-N 1 0 340.427 3.365 20 5 EGBDRO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000749564567 1299238170 /nfs/dbraw/zinc/23/81/70/1299238170.db2.gz FOASZSCTVBNZED-OAHLLOKOSA-N 1 0 339.823 3.081 20 5 EGBDRO CN(CCCC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000749684335 1299255142 /nfs/dbraw/zinc/25/51/42/1299255142.db2.gz BHDISZJBQVINAC-LJQANCHMSA-N 1 0 343.427 3.134 20 5 EGBDRO Cc1nn(C[N@@H+]2CCC[C@H]2C2CCCC2)c2ncc([N+](=O)[O-])cc12 ZINC000749944993 1299308568 /nfs/dbraw/zinc/30/85/68/1299308568.db2.gz NEWUUNMMUZUMJA-INIZCTEOSA-N 1 0 329.404 3.260 20 5 EGBDRO CCS[C@@H]1CC[C@@H]([N@H+](C)Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1 ZINC000749962535 1299315357 /nfs/dbraw/zinc/31/53/57/1299315357.db2.gz XNJIUENSTLUARV-TZMCWYRMSA-N 1 0 349.460 3.211 20 5 EGBDRO C[C@@]1(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1(Cl)Cl ZINC000877564882 1299402174 /nfs/dbraw/zinc/40/21/74/1299402174.db2.gz OFRDRVRMNWERMF-LBPRGKRZSA-N 1 0 330.171 3.410 20 5 EGBDRO Cc1ccc(C(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)cc1[N+](=O)[O-] ZINC000750580999 1299430222 /nfs/dbraw/zinc/43/02/22/1299430222.db2.gz KGXAKJLZXDFRKC-UHFFFAOYSA-N 1 0 341.411 3.237 20 5 EGBDRO Cc1ccc([C@@H](C)NC(=O)CCCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000752748727 1299787775 /nfs/dbraw/zinc/78/77/75/1299787775.db2.gz YEYRPNIFOIUSBM-OAHLLOKOSA-N 1 0 333.432 3.347 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(c2cccc(F)c2)CC1 ZINC000878167599 1299792122 /nfs/dbraw/zinc/79/21/22/1299792122.db2.gz GPJFMFZZIBATCV-UHFFFAOYSA-N 1 0 332.379 3.118 20 5 EGBDRO O=[N+]([O-])c1ccc(C[N@@H+](C[C@H](O)CC2(O)CCCCC2)C2CC2)cc1 ZINC000878326944 1299920852 /nfs/dbraw/zinc/92/08/52/1299920852.db2.gz UTDDSNXECSHWGE-GOSISDBHSA-N 1 0 348.443 3.005 20 5 EGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCC1(C)OCCO1 ZINC000760891502 1301358814 /nfs/dbraw/zinc/35/88/14/1301358814.db2.gz KITQARSSFSUTHO-ZDUSSCGKSA-N 1 0 340.445 3.208 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@]2(CO)CCc3ccccc32)cc1Cl ZINC000761528618 1301491276 /nfs/dbraw/zinc/49/12/76/1301491276.db2.gz YMHQYCKKFFBOAW-QGZVFWFLSA-N 1 0 332.787 3.172 20 5 EGBDRO O=[N+]([O-])c1ccc(Cl)cc1NC1CC[NH+](C2CCOCC2)CC1 ZINC000882592069 1302030621 /nfs/dbraw/zinc/03/06/21/1302030621.db2.gz XEWVDXIWGTYEDA-UHFFFAOYSA-N 1 0 339.823 3.304 20 5 EGBDRO Cc1nn(C[NH+]2CCc3ccccc3CC2)c2ccc([N+](=O)[O-])cc12 ZINC000765013996 1302185045 /nfs/dbraw/zinc/18/50/45/1302185045.db2.gz PACFWTAIURKTLD-UHFFFAOYSA-N 1 0 336.395 3.311 20 5 EGBDRO CC[NH+]1CCN(c2ccc(Nc3nc(C)ccc3[N+](=O)[O-])cc2)CC1 ZINC000765454014 1302267088 /nfs/dbraw/zinc/26/70/88/1302267088.db2.gz WLNUYPRSAWDABW-UHFFFAOYSA-N 1 0 341.415 3.184 20 5 EGBDRO COc1ccc(C)cc1[C@@H](C)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000765848174 1302338996 /nfs/dbraw/zinc/33/89/96/1302338996.db2.gz GZABNFGQCYPZIB-DYVFJYSZSA-N 1 0 330.384 3.296 20 5 EGBDRO COCc1ccc([C@@H]2CCC[N@@H+]2C[C@H](O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000767936157 1302788693 /nfs/dbraw/zinc/78/86/93/1302788693.db2.gz ZYKADNKXDQHMKG-IRXDYDNUSA-N 1 0 346.383 3.205 20 5 EGBDRO C[C@H](CC(F)(F)F)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000768273491 1302871619 /nfs/dbraw/zinc/87/16/19/1302871619.db2.gz ZWRZSIVWQRYXTN-LLVKDONJSA-N 1 0 331.338 3.494 20 5 EGBDRO COC(=O)[C@@H]1C[N@H+](Cc2c3ccccc3cc3ccccc32)CCO1 ZINC000769332238 1303093575 /nfs/dbraw/zinc/09/35/75/1303093575.db2.gz LEUXRBFPRARJQT-FQEVSTJZSA-N 1 0 335.403 3.367 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+][C@H](CO)C[C@@H](O)c2ccccc2)cc1[N+](=O)[O-] ZINC000773102983 1303624962 /nfs/dbraw/zinc/62/49/62/1303624962.db2.gz ABZUHPVSFHTPBQ-UCLAIMLFSA-N 1 0 344.411 3.038 20 5 EGBDRO O=[N+]([O-])c1ccc2c(cnn2C[N@@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)c1 ZINC000773262200 1303652628 /nfs/dbraw/zinc/65/26/28/1303652628.db2.gz OGPHGPIOYYBTIV-LSDHHAIUSA-N 1 0 344.415 3.041 20 5 EGBDRO CC[C@@](C)([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccccc1 ZINC000775388762 1303954091 /nfs/dbraw/zinc/95/40/91/1303954091.db2.gz SVBKMRIOKJICNC-GOSISDBHSA-N 1 0 327.384 3.109 20 5 EGBDRO COC(=O)Cc1ccccc1C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000775549639 1303982206 /nfs/dbraw/zinc/98/22/06/1303982206.db2.gz NFTCKBODBPNGOH-AWEZNQCLSA-N 1 0 342.395 3.470 20 5 EGBDRO CCC1(CC)[C@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@H](C)[C@@H]1OC ZINC000776154524 1304102595 /nfs/dbraw/zinc/10/25/95/1304102595.db2.gz ADQXJAAWWBJLPG-SJWGOKEGSA-N 1 0 336.432 3.058 20 5 EGBDRO COc1ccc([C@H]2CCC[N@@H+]2C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000776274015 1304125109 /nfs/dbraw/zinc/12/51/09/1304125109.db2.gz FZGOPGOJPHIOCF-RTBURBONSA-N 1 0 342.395 3.474 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@@H]2CCCc3ccccc32)cc1 ZINC000776273433 1304125552 /nfs/dbraw/zinc/12/55/52/1304125552.db2.gz BDOGSMNABCFAAD-LPHOPBHVSA-N 1 0 326.396 3.338 20 5 EGBDRO CC(C)[C@H]1CCC[N@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000780499089 1304700342 /nfs/dbraw/zinc/70/03/42/1304700342.db2.gz RJHNECBWGOIGIG-HNNXBMFYSA-N 1 0 329.404 3.179 20 5 EGBDRO CC(C)(C)[C@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000782530864 1304986290 /nfs/dbraw/zinc/98/62/90/1304986290.db2.gz ODPDFCHFBJLRJO-LBPRGKRZSA-N 1 0 337.395 3.431 20 5 EGBDRO COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783585663 1305111667 /nfs/dbraw/zinc/11/16/67/1305111667.db2.gz VIEGUWCTXANPNX-BLLLJJGKSA-N 1 0 340.807 3.460 20 5 EGBDRO CCn1cc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c(C)n1 ZINC000892110846 1305253324 /nfs/dbraw/zinc/25/33/24/1305253324.db2.gz QDXVHSZRMUIODI-UHFFFAOYSA-N 1 0 344.415 3.163 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C1CN(C(=O)OC(C)(C)C)C1 ZINC000786818448 1305634932 /nfs/dbraw/zinc/63/49/32/1305634932.db2.gz YHPITIJQPYHFQN-MDWZMJQESA-N 1 0 347.415 3.207 20 5 EGBDRO COc1c(O)ccc(C[NH2+]CCCSCC(C)C)c1[N+](=O)[O-] ZINC000893245256 1305781805 /nfs/dbraw/zinc/78/18/05/1305781805.db2.gz KKYOBALNGZSLGU-UHFFFAOYSA-N 1 0 328.434 3.178 20 5 EGBDRO COc1ccc(CCC[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000788564068 1305972172 /nfs/dbraw/zinc/97/21/72/1305972172.db2.gz RWLOXBQAXLUMNG-ZDUSSCGKSA-N 1 0 329.400 3.469 20 5 EGBDRO CC(C)(C)OC(=O)NCC[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000788577094 1305973220 /nfs/dbraw/zinc/97/32/20/1305973220.db2.gz LTCHMGQGNQFNNB-OAHLLOKOSA-N 1 0 349.431 3.432 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2cnn(C[N@@H+]3CCC[C@@H]3[C@H]3CCCO3)c2)cc1 ZINC000789507347 1306174453 /nfs/dbraw/zinc/17/44/53/1306174453.db2.gz OSNLLKZRLLICKL-QZTJIDSGSA-N 1 0 342.399 3.059 20 5 EGBDRO O=C(OCc1ccc([N+](=O)[O-])cc1Cl)c1ccc2c[nH+]cn2c1 ZINC000790921845 1308886754 /nfs/dbraw/zinc/88/67/54/1308886754.db2.gz PQNMHAVVQBKZEM-UHFFFAOYSA-N 1 0 331.715 3.253 20 5 EGBDRO CC(C)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@H](O)C(F)(F)F ZINC000894681537 1309019566 /nfs/dbraw/zinc/01/95/66/1309019566.db2.gz XFNGKLHOFVZVHZ-RYUDHWBXSA-N 1 0 340.729 3.286 20 5 EGBDRO COc1c(O)ccc(CN2CCC[C@H](CC(F)(F)F)C2)c1[N+](=O)[O-] ZINC000894976809 1309140959 /nfs/dbraw/zinc/14/09/59/1309140959.db2.gz SBWSUWGBPAQOOD-SNVBAGLBSA-N 1 0 348.321 3.473 20 5 EGBDRO CCOC(=O)C1(C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CCCC1 ZINC000792194666 1309141717 /nfs/dbraw/zinc/14/17/17/1309141717.db2.gz FPHIQBJAIJKXGO-UHFFFAOYSA-N 1 0 340.807 3.461 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3C[C@@H]4[C@H](O)CC[C@@H]4C3)o2)cc1 ZINC000895784826 1309518639 /nfs/dbraw/zinc/51/86/39/1309518639.db2.gz NPOSDURZIQZIEJ-XOKHGSTOSA-N 1 0 328.368 3.058 20 5 EGBDRO C[C@@H]1CC[N@H+](Cn2c(=O)oc3cccc([N+](=O)[O-])c32)[C@H]2CCCC[C@@H]12 ZINC000794619322 1309556105 /nfs/dbraw/zinc/55/61/05/1309556105.db2.gz IAIBDJUGJAOVKY-RDBSUJKOSA-N 1 0 345.399 3.361 20 5 EGBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H](O)c1ccc(F)c(F)c1 ZINC000796114003 1309910852 /nfs/dbraw/zinc/91/08/52/1309910852.db2.gz FNMQZUAOBCYQIY-QGZVFWFLSA-N 1 0 336.338 3.081 20 5 EGBDRO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1OC)C[C@H](O)c1ccc(C)cc1 ZINC000797518741 1310207174 /nfs/dbraw/zinc/20/71/74/1310207174.db2.gz GHFMOLHVYSOLLB-SFHVURJKSA-N 1 0 344.411 3.467 20 5 EGBDRO C[NH+](C)C[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000798390829 1310352336 /nfs/dbraw/zinc/35/23/36/1310352336.db2.gz WZCHCIOWHOHQNQ-NSHDSACASA-N 1 0 342.237 3.135 20 5 EGBDRO C[C@@H]1CCC[N@@H+]1CCNc1ccc([N+](=O)[O-])cc1Br ZINC000798393760 1310353927 /nfs/dbraw/zinc/35/39/27/1310353927.db2.gz YTTOQROUCQHVAD-SNVBAGLBSA-N 1 0 328.210 3.254 20 5 EGBDRO CC[NH+](CC)CCCOC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000800103211 1310671562 /nfs/dbraw/zinc/67/15/62/1310671562.db2.gz KTGGEEWPYDACQG-UHFFFAOYSA-N 1 0 326.418 3.205 20 5 EGBDRO COC1CC[NH+](C2(CNc3cc(N)ccc3[N+](=O)[O-])CCCC2)CC1 ZINC000800849723 1310818523 /nfs/dbraw/zinc/81/85/23/1310818523.db2.gz DOQYBFOBNDEAOM-UHFFFAOYSA-N 1 0 348.447 3.013 20 5 EGBDRO CCOC(=O)[C@]1(C(C)C)CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000801551404 1310964654 /nfs/dbraw/zinc/96/46/54/1310964654.db2.gz RZXZKJSBOLPKTO-QGZVFWFLSA-N 1 0 338.379 3.145 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@H](OC(=O)N(C)C)C1 ZINC000824616231 1320271085 /nfs/dbraw/zinc/27/10/85/1320271085.db2.gz TYRQDLLSNXHIRG-SHRNQRGKSA-N 1 0 347.415 3.161 20 5 EGBDRO Cc1cc(Cl)c(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000826677698 1320397586 /nfs/dbraw/zinc/39/75/86/1320397586.db2.gz MAILFMPYKVUMML-VXGBXAGGSA-N 1 0 339.823 3.159 20 5 EGBDRO C[NH+](C)CCOc1ccc(NCc2cccc([N+](=O)[O-])c2)cc1F ZINC000839188179 1320889978 /nfs/dbraw/zinc/88/99/78/1320889978.db2.gz CJAKNWDLNODELV-UHFFFAOYSA-N 1 0 333.363 3.286 20 5 EGBDRO Cc1cc(Cl)c(C(=O)NCC[C@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000839796408 1320977778 /nfs/dbraw/zinc/97/77/78/1320977778.db2.gz BCLYBXMQSZYDFA-GFCCVEGCSA-N 1 0 339.823 3.018 20 5 EGBDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000929399795 1328588377 /nfs/dbraw/zinc/58/83/77/1328588377.db2.gz VCIALMAWVNJNOY-JLSDUUJJSA-N 1 0 345.443 3.079 20 5 EGBDRO O=[N+]([O-])c1ccc(Cl)cc1NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000804349226 1317221764 /nfs/dbraw/zinc/22/17/64/1317221764.db2.gz KYPJDWRMXIQLSC-CQSZACIVSA-N 1 0 339.823 3.304 20 5 EGBDRO C[N@H+](CCNc1c([N+](=O)[O-])cccc1[N+](=O)[O-])Cc1ccccc1 ZINC000804373282 1317224271 /nfs/dbraw/zinc/22/42/71/1317224271.db2.gz XBQRHMKAFZIINK-UHFFFAOYSA-N 1 0 330.344 3.047 20 5 EGBDRO CC[C@@H](C)[NH2+][C@@H](CNc1nc2ccccn2c1[N+](=O)[O-])c1ccco1 ZINC000804780446 1317280404 /nfs/dbraw/zinc/28/04/04/1317280404.db2.gz BVYMBAKYMALZOY-OLZOCXBDSA-N 1 0 343.387 3.377 20 5 EGBDRO C[N@H+](Cc1cc(-c2cc3c(cc2[N+](=O)[O-])OCO3)no1)C(C)(C)C ZINC000901398381 1317419221 /nfs/dbraw/zinc/41/92/21/1317419221.db2.gz RGZOVUDYOIOIPQ-UHFFFAOYSA-N 1 0 333.344 3.209 20 5 EGBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)C(F)=C1CCCC1 ZINC001020071849 1317532793 /nfs/dbraw/zinc/53/27/93/1317532793.db2.gz XUDLGMYWPLEQFH-SHTZXODSSA-N 1 0 347.390 3.129 20 5 EGBDRO Cc1csc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccccc3[N+](=O)[O-])C2)c1 ZINC001020131379 1317554176 /nfs/dbraw/zinc/55/41/76/1317554176.db2.gz FDCLDYUZBIUPPP-HDJSIYSDSA-N 1 0 345.424 3.015 20 5 EGBDRO COCC[C@]1([NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCOC1 ZINC000809990830 1317932170 /nfs/dbraw/zinc/93/21/70/1317932170.db2.gz IXYDFSMLTPROAO-AWEZNQCLSA-N 1 0 349.214 3.187 20 5 EGBDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000810177022 1317969192 /nfs/dbraw/zinc/96/91/92/1317969192.db2.gz HMIHBRUGHSZFTB-SNVBAGLBSA-N 1 0 328.800 3.098 20 5 EGBDRO CC[NH2+]Cc1cccc(NC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC000906627843 1318130104 /nfs/dbraw/zinc/13/01/04/1318130104.db2.gz PEHYOGGWPHIVAX-ROUUACIJSA-N 1 0 339.395 3.447 20 5 EGBDRO CC[N@H+](CCNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C1CC1 ZINC000811477413 1318182426 /nfs/dbraw/zinc/18/24/26/1318182426.db2.gz QQTXJNSVKICZOO-UHFFFAOYSA-N 1 0 332.231 3.476 20 5 EGBDRO CC[C@@H](C)[N@H+](C)CCNc1cc(Cl)c(C(=O)OC)cc1[N+](=O)[O-] ZINC000811802998 1318270295 /nfs/dbraw/zinc/27/02/95/1318270295.db2.gz GEAVGDCWCVNAOT-SNVBAGLBSA-N 1 0 343.811 3.177 20 5 EGBDRO CCCC[N@H+](C)C[C@@H](C)Nc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1 ZINC000811848609 1318278138 /nfs/dbraw/zinc/27/81/38/1318278138.db2.gz MGPWFBSSSVRZQT-CYBMUJFWSA-N 1 0 348.447 3.019 20 5 EGBDRO Cc1cc(C[NH+](C)C)ccc1NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000909599480 1318498077 /nfs/dbraw/zinc/49/80/77/1318498077.db2.gz GJZJTHCOKWDYOD-UHFFFAOYSA-N 1 0 345.374 3.285 20 5 EGBDRO CC(C)[C@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])[C@H](O)C(F)(F)F ZINC000813328767 1318535317 /nfs/dbraw/zinc/53/53/17/1318535317.db2.gz URZUWASIHGVACS-MPCGPATOSA-N 1 0 332.322 3.145 20 5 EGBDRO CC(C)(O)[C@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Br ZINC000930060097 1328775285 /nfs/dbraw/zinc/77/52/85/1328775285.db2.gz CAHTZTDQLVGQID-CYBMUJFWSA-N 1 0 343.221 3.093 20 5 EGBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[N@H+](CC)C[C@@H]1C ZINC000910282279 1318595915 /nfs/dbraw/zinc/59/59/15/1318595915.db2.gz GUGXJZZIYLONMC-RDJZCZTQSA-N 1 0 347.459 3.106 20 5 EGBDRO C[C@@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000912809067 1318936324 /nfs/dbraw/zinc/93/63/24/1318936324.db2.gz CNLCRYIOWNTTAX-YJBOKZPZSA-N 1 0 347.459 3.106 20 5 EGBDRO C[C@H]([NH2+][C@@H]1CN(C)Cc2ccccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815599022 1319024852 /nfs/dbraw/zinc/02/48/52/1319024852.db2.gz IYPDDEWUXFWGNE-YVEFUNNKSA-N 1 0 326.400 3.014 20 5 EGBDRO C[C@H]([NH2+][C@@H]1CCN(c2ccccc2F)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815629143 1319031567 /nfs/dbraw/zinc/03/15/67/1319031567.db2.gz VLWAUMZQWPQHSY-GXTWGEPZSA-N 1 0 344.390 3.246 20 5 EGBDRO CC1(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccccc3[N+](=O)[O-])C2)CCCCC1 ZINC001022644633 1319037742 /nfs/dbraw/zinc/03/77/42/1319037742.db2.gz TVJONBNQJAXRLR-IYBDPMFKSA-N 1 0 345.443 3.302 20 5 EGBDRO Cc1cc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccccc3[N+](=O)[O-])C2)cs1 ZINC001022853932 1319137332 /nfs/dbraw/zinc/13/73/32/1319137332.db2.gz UYIXYTGFKBQJDA-GASCZTMLSA-N 1 0 345.424 3.015 20 5 EGBDRO C[C@H]([NH2+]Cc1c(Br)cccc1[N+](=O)[O-])C1CCOCC1 ZINC000930226370 1328816269 /nfs/dbraw/zinc/81/62/69/1328816269.db2.gz UDAWZTWHHIYTSK-JTQLQIEISA-N 1 0 343.221 3.262 20 5 EGBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1)C1CCC=CCC1 ZINC001023100658 1319261192 /nfs/dbraw/zinc/26/11/92/1319261192.db2.gz VAZPPLRWKGCCCV-GASCZTMLSA-N 1 0 349.456 3.140 20 5 EGBDRO C[C@H]([NH2+]Cc1cccc2c1CCCN2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817974575 1319483006 /nfs/dbraw/zinc/48/30/06/1319483006.db2.gz DVBFCHGMHXGRIN-LBPRGKRZSA-N 1 0 326.400 3.386 20 5 EGBDRO CC(C)c1ccc(C(=O)NCc2ccc(CC[NH3+])cc2)cc1[N+](=O)[O-] ZINC000818534601 1319552700 /nfs/dbraw/zinc/55/27/00/1319552700.db2.gz IVEOCSQEYRTSQR-UHFFFAOYSA-N 1 0 341.411 3.149 20 5 EGBDRO COc1cccc(CN(C)CC[N+](=O)[O-])c1OCc1ccccc1F ZINC000930351003 1328839329 /nfs/dbraw/zinc/83/93/29/1328839329.db2.gz LVMHTRCSEZIAOJ-UHFFFAOYSA-N 1 0 348.374 3.122 20 5 EGBDRO CC(C)(C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1F ZINC000818994883 1319610239 /nfs/dbraw/zinc/61/02/39/1319610239.db2.gz RFMXQYQNWMBKOY-QGZVFWFLSA-N 1 0 332.375 3.335 20 5 EGBDRO CCO[C@H](CC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000819128760 1319643216 /nfs/dbraw/zinc/64/32/16/1319643216.db2.gz RPWXAVVJVHYUEO-QZTJIDSGSA-N 1 0 336.432 3.203 20 5 EGBDRO COc1ccc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000819172627 1319656029 /nfs/dbraw/zinc/65/60/29/1319656029.db2.gz DBDNXBPEZDLBAV-OAHLLOKOSA-N 1 0 336.775 3.080 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2CCO[C@@H](c3ccccc3)C2)cc1 ZINC000819236125 1319677008 /nfs/dbraw/zinc/67/70/08/1319677008.db2.gz QIPKPNOMBJTVCS-BHIYHBOVSA-N 1 0 342.395 3.138 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@H]2CCC3(CCCCC3)O2)c1 ZINC000819261800 1319682603 /nfs/dbraw/zinc/68/26/03/1319682603.db2.gz NKRVILDSDJMGJH-DLBZAZTESA-N 1 0 334.416 3.100 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@H]2CCC3(CCCCC3)O2)c1 ZINC000819261803 1319683431 /nfs/dbraw/zinc/68/34/31/1319683431.db2.gz NKRVILDSDJMGJH-SJORKVTESA-N 1 0 334.416 3.100 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@H](c2ccccc2)C2CC2)cc1 ZINC000819329633 1319700001 /nfs/dbraw/zinc/70/00/01/1319700001.db2.gz JRJWADGTONPRRQ-RTBURBONSA-N 1 0 326.396 3.412 20 5 EGBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000916874253 1319719276 /nfs/dbraw/zinc/71/92/76/1319719276.db2.gz UESGPVAHXXBRHS-CABCVRRESA-N 1 0 348.447 3.075 20 5 EGBDRO O=[N+]([O-])c1ccc(F)cc1CN1CC[NH+](CCc2ccccc2)CC1 ZINC000917007097 1319735926 /nfs/dbraw/zinc/73/59/26/1319735926.db2.gz XOPFKPAKBURBNA-UHFFFAOYSA-N 1 0 343.402 3.094 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000822531660 1320095073 /nfs/dbraw/zinc/09/50/73/1320095073.db2.gz IIBGHNCGNYRMPW-AWEZNQCLSA-N 1 0 346.431 3.432 20 5 EGBDRO Cc1c(-c2noc(CC3(C[NH3+])CCCCC3)n2)cccc1[N+](=O)[O-] ZINC000823270204 1320166515 /nfs/dbraw/zinc/16/65/15/1320166515.db2.gz PCROFNWOWMECSD-UHFFFAOYSA-N 1 0 330.388 3.405 20 5 EGBDRO CC[NH+](CC)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1F)c1ccco1 ZINC000824244383 1320242009 /nfs/dbraw/zinc/24/20/09/1320242009.db2.gz HLBVNUXIFZOZER-OAHLLOKOSA-N 1 0 349.362 3.140 20 5 EGBDRO CC(C)[C@@H]1C[N@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)CCCO1 ZINC000840095809 1321027479 /nfs/dbraw/zinc/02/74/79/1321027479.db2.gz LIFXLIJZEBDZOI-SFHVURJKSA-N 1 0 344.415 3.163 20 5 EGBDRO CC1(C)CCC(=O)N1C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000840127197 1321034422 /nfs/dbraw/zinc/03/44/22/1321034422.db2.gz XLGVUBBVDVDHMD-HNNXBMFYSA-N 1 0 331.416 3.133 20 5 EGBDRO Cc1nn(C[N@@H+]2CC[C@@H](c3cccnc3)C2)c2cc([N+](=O)[O-])ccc12 ZINC000842623389 1321408000 /nfs/dbraw/zinc/40/80/00/1321408000.db2.gz ATIHXWVIAVTLSS-OAHLLOKOSA-N 1 0 337.383 3.095 20 5 EGBDRO CO[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1Br ZINC000844411197 1321602311 /nfs/dbraw/zinc/60/23/11/1321602311.db2.gz ZCSAQJGTWPWNIA-DGCLKSJQSA-N 1 0 343.221 3.405 20 5 EGBDRO CC[C@H](CSC)[N@H+](C)Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000848483805 1321963718 /nfs/dbraw/zinc/96/37/18/1321963718.db2.gz RPZICIOGXAGYGM-CQSZACIVSA-N 1 0 334.445 3.489 20 5 EGBDRO C[C@H](C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000848549853 1321974668 /nfs/dbraw/zinc/97/46/68/1321974668.db2.gz WATFITWPHWXTBH-BXUZGUMPSA-N 1 0 335.404 3.085 20 5 EGBDRO COC(=O)Cc1ccccc1C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000848573116 1321978748 /nfs/dbraw/zinc/97/87/48/1321978748.db2.gz QGWHVSDBCYSKPP-KRWDZBQOSA-N 1 0 340.379 3.087 20 5 EGBDRO COC(=O)/C=C/c1ccc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)o1 ZINC000848909158 1322041058 /nfs/dbraw/zinc/04/10/58/1322041058.db2.gz MFDCTROCFARDFC-CMDGGOBGSA-N 1 0 344.367 3.049 20 5 EGBDRO O=C(NCCCCCCC[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000920249648 1322154480 /nfs/dbraw/zinc/15/44/80/1322154480.db2.gz GMYVYWJMTPWKKC-UHFFFAOYSA-N 1 0 333.432 3.371 20 5 EGBDRO CC(C)[N@@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)CC1CC1 ZINC000920406011 1322173690 /nfs/dbraw/zinc/17/36/90/1322173690.db2.gz HPNVYHVGCOLXQS-UHFFFAOYSA-N 1 0 325.796 3.307 20 5 EGBDRO CC[N@H+](CCNC(=O)OC(C)(C)C)Cc1cccc([N+](=O)[O-])c1C ZINC000859531641 1329010561 /nfs/dbraw/zinc/01/05/61/1329010561.db2.gz LSDXWUQSBMSJIA-UHFFFAOYSA-N 1 0 337.420 3.250 20 5 EGBDRO C[S@](=O)[C@H]1CCC[C@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000850357053 1322233890 /nfs/dbraw/zinc/23/38/90/1322233890.db2.gz XCFWDFDLZKHCRQ-BYVOGVQKSA-N 1 0 330.837 3.028 20 5 EGBDRO C[C@H]([NH2+]Cc1cccnc1N1CCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850500776 1322258076 /nfs/dbraw/zinc/25/80/76/1322258076.db2.gz JQBDWUBONONNMN-ZDUSSCGKSA-N 1 0 341.415 3.023 20 5 EGBDRO Cc1cc(C(F)(F)F)nn1CC[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000922427185 1322527093 /nfs/dbraw/zinc/52/70/93/1322527093.db2.gz BNNFCDHLXZOECG-UHFFFAOYSA-N 1 0 346.284 3.047 20 5 EGBDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000852359926 1323182590 /nfs/dbraw/zinc/18/25/90/1323182590.db2.gz ZPPJBADGJZPWLL-GJZGRUSLSA-N 1 0 348.447 3.075 20 5 EGBDRO CC1C[C@H]2CC[C@@H](C1)[N@H+]2CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000852700500 1323228074 /nfs/dbraw/zinc/22/80/74/1323228074.db2.gz OBQZZTCYKFITIO-YHWZYXNKSA-N 1 0 335.379 3.325 20 5 EGBDRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000865084914 1329668033 /nfs/dbraw/zinc/66/80/33/1329668033.db2.gz IGLNXRCBMDDBLW-UHFFFAOYSA-N 1 0 345.374 3.068 20 5 EGBDRO C[C@H](CCNC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000935358788 1330047351 /nfs/dbraw/zinc/04/73/51/1330047351.db2.gz BNIUJEVSUAHXKW-JLSDUUJJSA-N 1 0 345.443 3.079 20 5 EGBDRO Cc1nccn1C[C@H](C)C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866259075 1330086753 /nfs/dbraw/zinc/08/67/53/1330086753.db2.gz GMVJZWNTUJTLNC-OLZOCXBDSA-N 1 0 334.395 3.096 20 5 EGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@](C)(O)c1cccs1 ZINC000866270492 1330088471 /nfs/dbraw/zinc/08/84/71/1330088471.db2.gz PIFDLMBODHDKCN-ZBEGNZNMSA-N 1 0 338.404 3.224 20 5 EGBDRO CC(C)(C)C(=O)N[C@H]1CC[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC001034782616 1342758281 /nfs/dbraw/zinc/75/82/81/1342758281.db2.gz OLCGPXIGAJZTCJ-JOCQHMNTSA-N 1 0 339.461 3.219 20 5 EGBDRO C[C@@H]1C[NH2+]CCC[C@H]1Oc1c(Br)c(F)ccc1[N+](=O)[O-] ZINC001217994745 1373529521 /nfs/dbraw/zinc/52/95/21/1373529521.db2.gz UXNQSSFSCPYZHC-LDYMZIIASA-N 1 0 347.184 3.263 20 5 EGBDRO O=[N+]([O-])c1ccc(Br)cc1O[C@@H]1CCC12CC[NH2+]CC2 ZINC001218078899 1373555452 /nfs/dbraw/zinc/55/54/52/1373555452.db2.gz DMXRRDIPFFMLPS-CYBMUJFWSA-N 1 0 341.205 3.268 20 5 EGBDRO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1Br)C[C@H]1CCOC1 ZINC001324151483 1387548545 /nfs/dbraw/zinc/54/85/45/1387548545.db2.gz YVKQHPZQIXURBM-LLVKDONJSA-N 1 0 343.221 3.216 20 5 EGBDRO C=C/C(C)=C/CC(=O)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001202053531 1369676843 /nfs/dbraw/zinc/67/68/43/1369676843.db2.gz DWKQYYFDFYMCDM-SYZQJQIISA-N 1 0 343.427 3.198 20 5 EGBDRO COc1ncc(Nc2ccc(CC[NH+]3CCCC3)cc2)cc1[N+](=O)[O-] ZINC001210138224 1372279376 /nfs/dbraw/zinc/27/93/76/1372279376.db2.gz PHIDEVLAJBTWRB-UHFFFAOYSA-N 1 0 342.399 3.380 20 5 EGBDRO O[C@H]1C[NH2+]CCN(Cc2c3ccccc3c(Cl)c3ccccc32)C1 ZINC001210475812 1372362391 /nfs/dbraw/zinc/36/23/91/1372362391.db2.gz PFSPTQZLZMUZQG-AWEZNQCLSA-N 1 0 340.854 3.413 20 5 EGBDRO C[NH+]1CCN(Cc2cccc(Nc3ccc(F)c([N+](=O)[O-])c3)c2)CC1 ZINC001211192065 1372497109 /nfs/dbraw/zinc/49/71/09/1372497109.db2.gz CGNJCTAQIWLJIH-UHFFFAOYSA-N 1 0 344.390 3.225 20 5 EGBDRO CC(C)(C)c1cc([N+](=O)[O-])c(O[C@@H]2CCC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC001217998641 1373531015 /nfs/dbraw/zinc/53/10/15/1373531015.db2.gz BZPNCQKWUKVVKL-GFCCVEGCSA-N 1 0 337.376 3.321 20 5 EGBDRO CC(C)(C)OC(=O)c1ccc(O[C@H]2CCC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC001217999070 1373531097 /nfs/dbraw/zinc/53/10/97/1373531097.db2.gz FPFNGRJYBMBIIT-ZDUSSCGKSA-N 1 0 336.388 3.071 20 5 EGBDRO Cc1cc(Br)c(O[C@H]2CC[NH2+]CC[C@H]2F)cc1[N+](=O)[O-] ZINC001218021881 1373539690 /nfs/dbraw/zinc/53/96/90/1373539690.db2.gz YCYQSPAINPFFJC-PWSUYJOCSA-N 1 0 347.184 3.135 20 5 EGBDRO C[C@@H]1CC[NH2+]CC[C@@H]1Oc1cc([N+](=O)[O-])c(F)cc1Br ZINC001218026303 1373541217 /nfs/dbraw/zinc/54/12/17/1373541217.db2.gz IDKDNMUHLJRWIU-PELKAZGASA-N 1 0 347.184 3.263 20 5 EGBDRO C[C@@H]1CC[NH2+]CC[C@@H]1Oc1c(Br)c(F)ccc1[N+](=O)[O-] ZINC001218028114 1373542089 /nfs/dbraw/zinc/54/20/89/1373542089.db2.gz CTBYJNYSEZPAMB-KCJUWKMLSA-N 1 0 347.184 3.263 20 5 EGBDRO C[C@H]1CC[NH2+]CC[C@H]1Oc1ccc2c(c1)oc1cc(O)ccc1c2=O ZINC001218030046 1373542369 /nfs/dbraw/zinc/54/23/69/1373542369.db2.gz OVXVIZNQMQUCKN-YVEFUNNKSA-N 1 0 339.391 3.419 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCCCC2)cc1O[C@H]1CCC[C@]12CC[NH2+]C2 ZINC001218098738 1373560067 /nfs/dbraw/zinc/56/00/67/1373560067.db2.gz ZCEFOKJVOGYWTM-RBUKOAKNSA-N 1 0 345.443 3.496 20 5 EGBDRO Cc1cc(Br)c(O[C@H]2C[C@H]3C[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC001218133353 1373566720 /nfs/dbraw/zinc/56/67/20/1373566720.db2.gz BLCMQMCPGPQEME-JGPRNRPPSA-N 1 0 341.205 3.043 20 5 EGBDRO CC(C)(C)c1cc([N+](=O)[O-])c(O[C@@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)c([N+](=O)[O-])c1 ZINC001218187776 1373575071 /nfs/dbraw/zinc/57/50/71/1373575071.db2.gz ZJGJLUGSHVPNNS-CLLJXQQHSA-N 1 0 349.387 3.462 20 5 EGBDRO O=[N+]([O-])c1cc(Br)ccc1OC1CC2(C1)CCC[NH2+]C2 ZINC001218252075 1373584200 /nfs/dbraw/zinc/58/42/00/1373584200.db2.gz MBAAFYBVCMLTBI-UHFFFAOYSA-N 1 0 341.205 3.268 20 5 EGBDRO O=[N+]([O-])c1ccc(OC2CCC3(C[NH2+]C3)CC2)c(Br)c1 ZINC001218262734 1373585395 /nfs/dbraw/zinc/58/53/95/1373585395.db2.gz SWZNRMWOVLMSFW-UHFFFAOYSA-N 1 0 341.205 3.268 20 5 EGBDRO O=[N+]([O-])c1cc(Br)cc(OC2CCC3(C[NH2+]C3)CC2)c1 ZINC001218264478 1373586060 /nfs/dbraw/zinc/58/60/60/1373586060.db2.gz XBSOTLYUMQJMEN-UHFFFAOYSA-N 1 0 341.205 3.268 20 5 EGBDRO CC1(C)C[NH2+]CC[C@H]1Oc1c2ccccc2c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001218315364 1373593889 /nfs/dbraw/zinc/59/38/89/1373593889.db2.gz LJPVHHYNCMSPDW-OAHLLOKOSA-N 1 0 345.355 3.423 20 5 EGBDRO CCC(C)(C)c1cc([N+](=O)[O-])c(O[C@@H]2C[C@H]3C[NH2+]C[C@H]32)c([N+](=O)[O-])c1 ZINC001218332807 1373597993 /nfs/dbraw/zinc/59/79/93/1373597993.db2.gz WMOFUCCADJRQHC-JVLSTEMRSA-N 1 0 349.387 3.177 20 5 EGBDRO Cn1cncc1NC(=O)[C@@H]([NH3+])Cc1c2ccccc2cc2ccccc21 ZINC001218622634 1373636725 /nfs/dbraw/zinc/63/67/25/1373636725.db2.gz VPFWROAINDLANO-IBGZPJMESA-N 1 0 344.418 3.235 20 5 EGBDRO Nc1cc2nc3ccccc3nc2cc1NC(=O)[C@H]([NH3+])c1ccccc1 ZINC001218856575 1373661871 /nfs/dbraw/zinc/66/18/71/1373661871.db2.gz DUFCLUATZACDLM-LJQANCHMSA-N 1 0 343.390 3.004 20 5 EGBDRO [NH3+][C@@H](Cc1ccsc1)C(=O)Nc1cc2cccnc2c2ncccc12 ZINC001218979567 1373673575 /nfs/dbraw/zinc/67/35/75/1373673575.db2.gz OWQGIJNKAMTEFT-HNNXBMFYSA-N 1 0 348.431 3.353 20 5 EGBDRO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1Oc1ncccc1[N+](=O)[O-] ZINC001225589833 1375127315 /nfs/dbraw/zinc/12/73/15/1375127315.db2.gz FRAOKBPTNJVJSK-YOEHRIQHSA-N 1 0 327.384 3.279 20 5 EGBDRO CC[NH+](CC)C[C@@H](C)Oc1ccc(Br)cc1[N+](=O)[O-] ZINC001225658239 1375139936 /nfs/dbraw/zinc/13/99/36/1375139936.db2.gz BROWDDJIPBIVQP-SNVBAGLBSA-N 1 0 331.210 3.466 20 5 EGBDRO O=[N+]([O-])c1cnc(OC2CC[NH+](C3CC3)CC2)c(C(F)(F)F)c1 ZINC001225893535 1375170355 /nfs/dbraw/zinc/17/03/55/1375170355.db2.gz UBANSNDNBXKCNV-UHFFFAOYSA-N 1 0 331.294 3.014 20 5 EGBDRO C[C@@H](c1ccccn1)[N@@H+]1CC[C@@H](Oc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC001225917072 1375175341 /nfs/dbraw/zinc/17/53/41/1375175341.db2.gz YZHYNPDJHCDYNT-GXTWGEPZSA-N 1 0 331.347 3.343 20 5 EGBDRO CC(=O)c1ccc(OC2CCN(c3cc[nH+]cc3)CC2)c([N+](=O)[O-])c1 ZINC001226291125 1375233473 /nfs/dbraw/zinc/23/34/73/1375233473.db2.gz CINQBNDWVKOECX-UHFFFAOYSA-N 1 0 341.367 3.240 20 5 EGBDRO O=[N+]([O-])c1ccc(O[C@H]2CC[N@H+](Cc3ccc(Cl)cc3)C2)cn1 ZINC001226712184 1375314746 /nfs/dbraw/zinc/31/47/46/1375314746.db2.gz JAYPFAQYNMOCNG-HNNXBMFYSA-N 1 0 333.775 3.297 20 5 EGBDRO CC/C(C)=C/C(=O)NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001227210907 1375407025 /nfs/dbraw/zinc/40/70/25/1375407025.db2.gz HOBMNOVDFVCJFV-WYMLVPIESA-N 1 0 331.416 3.032 20 5 EGBDRO CC[N@@H+]1CCC[C@H](Oc2cc(F)c(Br)cc2[N+](=O)[O-])C1 ZINC001227284926 1375416254 /nfs/dbraw/zinc/41/62/54/1375416254.db2.gz RRDZTFHVMJSCQV-VIFPVBQESA-N 1 0 347.184 3.360 20 5 EGBDRO O=[N+]([O-])c1cncc(O[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)c1 ZINC001227990737 1375499448 /nfs/dbraw/zinc/49/94/48/1375499448.db2.gz PSYMJHYREPFUTC-ATZDWAIDSA-N 1 0 339.395 3.279 20 5 EGBDRO O=[N+]([O-])c1ccncc1O[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001228881370 1375704610 /nfs/dbraw/zinc/70/46/10/1375704610.db2.gz DJOFBMKPPBIRLU-XYJFISCASA-N 1 0 339.395 3.279 20 5 EGBDRO C[C@H](C[N+](C)(C)C)Oc1nc2ccccc2n1C(=O)OC(C)(C)C ZINC001229753114 1375886434 /nfs/dbraw/zinc/88/64/34/1375886434.db2.gz YUUJFTYOTSAVPB-CYBMUJFWSA-N 1 0 334.440 3.293 20 5 EGBDRO O=C(CC1CCCCCC1)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001134410455 1376515670 /nfs/dbraw/zinc/51/56/70/1376515670.db2.gz QWXJSLRLSMWFFU-UHFFFAOYSA-N 1 0 333.432 3.161 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCCC[C@H]1[NH+](C)C ZINC001327536720 1388554979 /nfs/dbraw/zinc/55/49/79/1388554979.db2.gz AJXUDNVFHOAANH-GDBMZVCRSA-N 1 0 334.420 3.152 20 5 EGBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1Nc1ncnc2c(Cl)cc([N+](=O)[O-])cc12 ZINC001327658450 1388573941 /nfs/dbraw/zinc/57/39/41/1388573941.db2.gz IUHIELGSCXDNCL-YMTOWFKASA-N 1 0 347.806 3.086 20 5 EGBDRO CC(C)c1ccsc1C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001152125751 1379866874 /nfs/dbraw/zinc/86/68/74/1379866874.db2.gz HQBQSDLSALNTRJ-UHFFFAOYSA-N 1 0 347.440 3.299 20 5 EGBDRO C[N@@H+]1CCC[C@H](CCNC(=O)c2ccnc3c2ccc2cccnc23)C1 ZINC001155815521 1380494398 /nfs/dbraw/zinc/49/43/98/1380494398.db2.gz FVJLRYMXQNIJQJ-OAHLLOKOSA-N 1 0 348.450 3.245 20 5 EGBDRO COc1cc(NC[C@H](c2ccccc2)[NH+]2CCCC2)ncc1[N+](=O)[O-] ZINC001156531951 1380589446 /nfs/dbraw/zinc/58/94/46/1380589446.db2.gz RNOLXAVZXYFAJV-OAHLLOKOSA-N 1 0 342.399 3.247 20 5 EGBDRO CC1(Nc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC[NH2+]CC1 ZINC001157406033 1380871530 /nfs/dbraw/zinc/87/15/30/1380871530.db2.gz VWCUQMCEBYBQBL-UHFFFAOYSA-N 1 0 330.363 3.350 20 5 EGBDRO CC(C)(C)CN(c1ccc2[nH]cc([N+](=O)[O-])c2n1)C1CC[NH2+]CC1 ZINC001157891608 1381061932 /nfs/dbraw/zinc/06/19/32/1381061932.db2.gz IFOZUFQNNFVMBM-UHFFFAOYSA-N 1 0 331.420 3.076 20 5 EGBDRO Cc1ccc(-c2ccc(NCC(C)(C)C[NH+](C)C)nn2)cc1[N+](=O)[O-] ZINC001157945006 1381077543 /nfs/dbraw/zinc/07/75/43/1381077543.db2.gz UAMBFOVYEAHSJM-UHFFFAOYSA-N 1 0 343.431 3.360 20 5 EGBDRO C[C@]1(C[NH3+])CCCN(c2ccc3c(ccc(Cl)c3[N+](=O)[O-])n2)C1 ZINC001158678728 1381348014 /nfs/dbraw/zinc/34/80/14/1381348014.db2.gz MQEFVSJYBHOTNU-MRXNPFEDSA-N 1 0 334.807 3.362 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCC3(CC2)[NH2+]Cc2ccccc23)n1 ZINC001159031414 1381522998 /nfs/dbraw/zinc/52/29/98/1381522998.db2.gz IBWAIXANEAJAEA-UHFFFAOYSA-N 1 0 338.411 3.206 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)cc(N2CCC3(CC2)[NH2+]Cc2ccccc23)n1 ZINC001159031849 1381525312 /nfs/dbraw/zinc/52/53/12/1381525312.db2.gz MTKABPJYPRZNDW-UHFFFAOYSA-N 1 0 344.802 3.242 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1N(CC1CC[NH2+]CC1)c1ncccc1N ZINC001159334557 1381767921 /nfs/dbraw/zinc/76/79/21/1381767921.db2.gz VHJOUQWDZZWLGH-UHFFFAOYSA-N 1 0 341.415 3.018 20 5 EGBDRO Cc1c(C)c(-n2c3ccccc3c3c2C[C@@H]([NH3+])CC3)ncc1[N+](=O)[O-] ZINC001159948958 1381946990 /nfs/dbraw/zinc/94/69/90/1381946990.db2.gz LZGWRVFSEDYRDV-ZDUSSCGKSA-N 1 0 336.395 3.367 20 5 EGBDRO [NH3+][C@H]1CCCN(c2ccc(Nc3ccc(F)c([N+](=O)[O-])c3)cc2)C1 ZINC001159985964 1381959622 /nfs/dbraw/zinc/95/96/22/1381959622.db2.gz BOQFWVCVTSKGLU-LBPRGKRZSA-N 1 0 330.363 3.405 20 5 EGBDRO COc1ccc(Nc2ccccc2O[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001160233432 1382042073 /nfs/dbraw/zinc/04/20/73/1382042073.db2.gz KAQOAJNAHOFFSL-CQSZACIVSA-N 1 0 343.383 3.478 20 5 EGBDRO Nc1ccc(Nc2ccc(C[C@H]3CCC[NH2+]C3)cc2)cc1[N+](=O)[O-] ZINC001160265562 1382055438 /nfs/dbraw/zinc/05/54/38/1382055438.db2.gz PFEMUWAEXOXAAP-CQSZACIVSA-N 1 0 326.400 3.463 20 5 EGBDRO [NH3+]Cc1ccc(Nc2nc3ccccc3c(Cl)c2[N+](=O)[O-])cn1 ZINC001160401983 1382094719 /nfs/dbraw/zinc/09/47/19/1382094719.db2.gz HCVNYJYWRJZNBL-UHFFFAOYSA-N 1 0 329.747 3.394 20 5 EGBDRO O=[N+]([O-])c1cccc2nc(N[C@@H]3CC[NH2+]C[C@@H]3C(F)(F)F)ccc21 ZINC001160736369 1382181440 /nfs/dbraw/zinc/18/14/40/1382181440.db2.gz CJJBFTNOBBCURW-CMPLNLGQSA-N 1 0 340.305 3.095 20 5 EGBDRO COc1nc(NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC001161884960 1382539520 /nfs/dbraw/zinc/53/95/20/1382539520.db2.gz CVZGHEYNTJKMHZ-HNNXBMFYSA-N 1 0 342.399 3.075 20 5 EGBDRO C[C@H]([NH3+])c1nc2ccccc2n1-c1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC001162762470 1382863068 /nfs/dbraw/zinc/86/30/68/1382863068.db2.gz HZHNZQFNBMVNNV-NSHDSACASA-N 1 0 337.383 3.227 20 5 EGBDRO Cc1c(-n2c3ccccc3nc2[C@H](C)[NH3+])ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001162766350 1382865734 /nfs/dbraw/zinc/86/57/34/1382865734.db2.gz MXSYFBSDCFBFLE-JTQLQIEISA-N 1 0 341.327 3.170 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1NC[C@@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001162966271 1382930245 /nfs/dbraw/zinc/93/02/45/1382930245.db2.gz SGCHHIHHVIVWBW-INIZCTEOSA-N 1 0 347.459 3.481 20 5 EGBDRO CC(C)N(C(C)(C)C[NH3+])C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1 ZINC001163186400 1382987585 /nfs/dbraw/zinc/98/75/85/1382987585.db2.gz CJRBVLLCRBZSDW-UHFFFAOYSA-N 1 0 336.770 3.140 20 5 EGBDRO COc1cccc([C@H](C[NH3+])Nc2nc(Cl)c(C)cc2[N+](=O)[O-])c1 ZINC001163307153 1383017377 /nfs/dbraw/zinc/01/73/77/1383017377.db2.gz WVMVTGKHFMUUFE-LBPRGKRZSA-N 1 0 336.779 3.072 20 5 EGBDRO c1cnc2c(c1)cc(N[C@H]1CCCC[C@@]13C[NH2+]CCO3)c1cccnc12 ZINC001163650174 1383096144 /nfs/dbraw/zinc/09/61/44/1383096144.db2.gz LSKINUOBPNWZFE-GHTZIAJQSA-N 1 0 348.450 3.496 20 5 EGBDRO CC/C=C(/C)C(=O)NCCC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001163676919 1383103607 /nfs/dbraw/zinc/10/36/07/1383103607.db2.gz ONYGMOARBDFWAZ-UUASQNMZSA-N 1 0 345.443 3.327 20 5 EGBDRO Cc1cnc(N2C[C@H]3CC[N@H+](Cc4ccccc4)[C@H]3C2)c([N+](=O)[O-])c1 ZINC001165085207 1383225019 /nfs/dbraw/zinc/22/50/19/1383225019.db2.gz MAZQHYWBXCENNT-AEFFLSMTSA-N 1 0 338.411 3.009 20 5 EGBDRO C[NH+](C)C[C@]12C[C@H]1CN(c1cc3ccc(Cl)nc3cc1[N+](=O)[O-])C2 ZINC001165182707 1383243195 /nfs/dbraw/zinc/24/31/95/1383243195.db2.gz NHCDKLPCPUPDNL-SJCJKPOMSA-N 1 0 346.818 3.184 20 5 EGBDRO CC(C)[N@@H+]1CCN(c2nc(Cl)cc(Cl)c2[N+](=O)[O-])C[C@H]1C ZINC001165199470 1383245215 /nfs/dbraw/zinc/24/52/15/1383245215.db2.gz WURWFOYOZOSIDP-SECBINFHSA-N 1 0 333.219 3.216 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(OC(C)C)cc1-n1ccc2cc(C[NH3+])cnc21 ZINC001167316210 1383594789 /nfs/dbraw/zinc/59/47/89/1383594789.db2.gz KCTCIEKAIDOGQC-UHFFFAOYSA-N 1 0 340.383 3.488 20 5 EGBDRO CCOC(=O)c1cccc([N+](=O)[O-])c1N1C(C)(C)CC([NH3+])CC1(C)C ZINC001167625373 1383692108 /nfs/dbraw/zinc/69/21/08/1383692108.db2.gz RGPHNQJVOLSXGW-UHFFFAOYSA-N 1 0 349.431 3.256 20 5 EGBDRO CC(C)(C)C(=O)NCCC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001167820977 1383748720 /nfs/dbraw/zinc/74/87/20/1383748720.db2.gz ZLNWOVUCTWQMCE-UHFFFAOYSA-N 1 0 333.432 3.017 20 5 EGBDRO CCCSc1nc(Cl)c([N+](=O)[O-])c(NC2(C)CC[NH2+]CC2)n1 ZINC001168182692 1383836513 /nfs/dbraw/zinc/83/65/13/1383836513.db2.gz XOPPUUKOOLNOJL-UHFFFAOYSA-N 1 0 345.856 3.094 20 5 EGBDRO CC(C)CCCCC(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001168715035 1383978719 /nfs/dbraw/zinc/97/87/19/1383978719.db2.gz BTMRYLAYZHBHQD-UHFFFAOYSA-N 1 0 335.448 3.407 20 5 EGBDRO COC(=O)c1cc([N+](=O)[O-])c(Cl)cc1NCC(C)(C)C[NH+](C)C ZINC001168768622 1383996933 /nfs/dbraw/zinc/99/69/33/1383996933.db2.gz CRLYATSWCSUCQO-UHFFFAOYSA-N 1 0 343.811 3.035 20 5 EGBDRO [NH3+]CCN(c1cccnc1)c1ccc(C(F)(F)F)c([N+](=O)[O-])c1 ZINC001168836351 1384027201 /nfs/dbraw/zinc/02/72/01/1384027201.db2.gz JPWHQSPMJUSZKA-UHFFFAOYSA-N 1 0 326.278 3.105 20 5 EGBDRO CC(C)(C)OC(=O)c1cccc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001168965817 1384072527 /nfs/dbraw/zinc/07/25/27/1384072527.db2.gz COFHWNQKJPHHNB-GDBMZVCRSA-N 1 0 334.416 3.177 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2ccc(C3(C(F)(F)F)N=N3)cc2)C1 ZINC001168985661 1384079670 /nfs/dbraw/zinc/07/96/70/1384079670.db2.gz UTIRYCXRHMHEPE-AAEUAGOBSA-N 1 0 342.321 3.403 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H](c2cccc(F)c2)C2CCOCC2)C1 ZINC001168986110 1384079736 /nfs/dbraw/zinc/07/97/36/1384079736.db2.gz VXCCPUZIZPACAS-BVGQSLNGSA-N 1 0 336.407 3.328 20 5 EGBDRO COc1ccc2cccc(CC[NH2+][C@H]3CC[C@H](C[N+](=O)[O-])C3)c2c1 ZINC001168989823 1384080399 /nfs/dbraw/zinc/08/03/99/1384080399.db2.gz WVHQVQNBGZFXEC-YOEHRIQHSA-N 1 0 328.412 3.426 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2cncn2Cc2ccc(Cl)cc2)C1 ZINC001168996103 1384081921 /nfs/dbraw/zinc/08/19/21/1384081921.db2.gz VGTODPBHXKAEDB-GOEBONIOSA-N 1 0 348.834 3.120 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C2(c3cccc(Cl)c3)CCOCC2)C1 ZINC001168997944 1384082955 /nfs/dbraw/zinc/08/29/55/1384082955.db2.gz GSROOLFFFYHYJG-CJNGLKHVSA-N 1 0 338.835 3.381 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@@H]2c2ccc(Br)cc2)C1 ZINC001169006156 1384086180 /nfs/dbraw/zinc/08/61/80/1384086180.db2.gz FMSJLLGXSUITAK-AQNFWKISSA-N 1 0 339.233 3.340 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@H](N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC001169011274 1384088884 /nfs/dbraw/zinc/08/88/84/1384088884.db2.gz JCPHGMMGSFQYRC-ZRNYENFQSA-N 1 0 343.471 3.028 20 5 EGBDRO C[C@H]1C[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC[C@@]1(C)c1cccc(O)c1 ZINC001169034016 1384094257 /nfs/dbraw/zinc/09/42/57/1384094257.db2.gz FENWXRGYKCMTIT-RIVXBTQJSA-N 1 0 332.444 3.437 20 5 EGBDRO C[N@H+](Cc1cccc(Br)c1F)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169036653 1384096540 /nfs/dbraw/zinc/09/65/40/1384096540.db2.gz PJRFCENIJJWIJC-ZYHUDNBSSA-N 1 0 345.212 3.465 20 5 EGBDRO CC(=O)C1(c2ccccc2)CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169038006 1384097421 /nfs/dbraw/zinc/09/74/21/1384097421.db2.gz UZXBJKZLYKZBQL-SJLPKXTDSA-N 1 0 330.428 3.055 20 5 EGBDRO CCOC(=O)C[N@H+]([C@H](C)c1ccccc1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169050016 1384100634 /nfs/dbraw/zinc/10/06/34/1384100634.db2.gz XXPNGUQVSZKZSY-VYDXJSESSA-N 1 0 334.416 3.058 20 5 EGBDRO CCOC(=O)C1([N@H+](Cc2ccccc2)[C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169050589 1384100728 /nfs/dbraw/zinc/10/07/28/1384100728.db2.gz BRKHDTNRTHPCLS-DLBZAZTESA-N 1 0 346.427 3.030 20 5 EGBDRO COC(=O)c1cccc([C@@H]2CCC[N@@H+]2[C@@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001169056313 1384101374 /nfs/dbraw/zinc/10/13/74/1384101374.db2.gz RMUDJPHSQDFMCU-XKQJLSEDSA-N 1 0 332.400 3.056 20 5 EGBDRO CN1CCC([N@H+](Cc2ccc(F)cc2)[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169055826 1384101387 /nfs/dbraw/zinc/10/13/87/1384101387.db2.gz QQZOHDLLBDNWKU-VQIMIIECSA-N 1 0 349.450 3.167 20 5 EGBDRO CCOc1cnc(N[C@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)c([N+](=O)[O-])c1 ZINC001169139210 1384112314 /nfs/dbraw/zinc/11/23/14/1384112314.db2.gz AQVZJIHBERDTEB-SJCJKPOMSA-N 1 0 336.436 3.344 20 5 EGBDRO Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1ccc2ncc([N+](=O)[O-])n2c1 ZINC001169699288 1384175023 /nfs/dbraw/zinc/17/50/23/1384175023.db2.gz WSRDNCKJPVRFOH-OAHLLOKOSA-N 1 0 337.383 3.483 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+]Cc2ccc3c(c2)OCO3)c([N+](=O)[O-])c1 ZINC001170295589 1384284739 /nfs/dbraw/zinc/28/47/39/1384284739.db2.gz VRTHNKKWZILKDI-LBPRGKRZSA-N 1 0 344.367 3.053 20 5 EGBDRO COc1ccc(C[C@@H](C)Nc2ccc(CC[NH3+])cc2)c([N+](=O)[O-])c1 ZINC001170297525 1384284993 /nfs/dbraw/zinc/28/49/93/1384284993.db2.gz OORUPMHLXDFVJO-CYBMUJFWSA-N 1 0 329.400 3.148 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+]CCc2ccccc2OC)c([N+](=O)[O-])c1 ZINC001170299220 1384285396 /nfs/dbraw/zinc/28/53/96/1384285396.db2.gz SQMGJZRNPBRABV-CQSZACIVSA-N 1 0 344.411 3.375 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+]CC(=O)c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC001170297175 1384285449 /nfs/dbraw/zinc/28/54/49/1384285449.db2.gz LOGWPUJMYHBCHP-LBPRGKRZSA-N 1 0 346.358 3.146 20 5 EGBDRO COc1ccc(CC[NH2+][C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC001170306499 1384286904 /nfs/dbraw/zinc/28/69/04/1384286904.db2.gz WEXDJYWBBMIQCF-CQSZACIVSA-N 1 0 344.411 3.375 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+][C@H]2CCc3cccnc32)c([N+](=O)[O-])c1 ZINC001170305461 1384287054 /nfs/dbraw/zinc/28/70/54/1384287054.db2.gz LGCDUDXKVLCXNT-WBMJQRKESA-N 1 0 327.384 3.207 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+][C@H](C)CN2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC001170306401 1384287267 /nfs/dbraw/zinc/28/72/67/1384287267.db2.gz UOILWNUKQGQDNJ-JKSUJKDBSA-N 1 0 349.475 3.244 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+]Cc2cccc3ncoc32)c([N+](=O)[O-])c1 ZINC001170312234 1384288241 /nfs/dbraw/zinc/28/82/41/1384288241.db2.gz FJHUIMACXWYURY-LBPRGKRZSA-N 1 0 341.367 3.465 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+][C@H](C)c2ccc(N)cc2)c([N+](=O)[O-])c1 ZINC001170314414 1384288442 /nfs/dbraw/zinc/28/84/42/1384288442.db2.gz VIOIRNACQQIVFG-CHWSQXEVSA-N 1 0 329.400 3.467 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+]CCC2CCC(O)CC2)c([N+](=O)[O-])c1 ZINC001170316976 1384289160 /nfs/dbraw/zinc/28/91/60/1384289160.db2.gz AXLPNGQOJWDGQE-VQCLRJIVSA-N 1 0 336.432 3.065 20 5 EGBDRO COc1ccc(C[C@H](C)[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001170327766 1384292185 /nfs/dbraw/zinc/29/21/85/1384292185.db2.gz HQVYQIHDIYEHLH-JOQOYGCGSA-N 1 0 334.416 3.035 20 5 EGBDRO COc1ccc(C[C@@H](C)[N@@H+]2CC[C@@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC001170347108 1384296644 /nfs/dbraw/zinc/29/66/44/1384296644.db2.gz QFLJNVLOZLOIGJ-ZYHUDNBSSA-N 1 0 332.322 3.419 20 5 EGBDRO COc1ccc(C[C@@H](C)[N@@H+]2CC[C@@]3(C2)CCCOC3)c([N+](=O)[O-])c1 ZINC001170351402 1384298119 /nfs/dbraw/zinc/29/81/19/1384298119.db2.gz GAHBNBBLCONBPI-RDTXWAMCSA-N 1 0 334.416 3.037 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH+]2CC3(C2)C[C@H](F)CS3)c([N+](=O)[O-])c1 ZINC001170353116 1384299217 /nfs/dbraw/zinc/29/92/17/1384299217.db2.gz VXOSCAVSVMATMS-YPMHNXCESA-N 1 0 340.420 3.064 20 5 EGBDRO C[C@H](Nc1nc2c(ccc3ccccc32)nc1Cl)[C@@H]1C[NH2+]CCO1 ZINC001170568449 1384343965 /nfs/dbraw/zinc/34/39/65/1384343965.db2.gz HYYQKTBXKMWUEI-NHYWBVRUSA-N 1 0 342.830 3.225 20 5 EGBDRO [NH3+]Cc1ccc2cn(-c3nc(-c4ccccc4)ccc3[N+](=O)[O-])nc2c1 ZINC001171319777 1384494099 /nfs/dbraw/zinc/49/40/99/1384494099.db2.gz BBKLOGVGADQIHI-UHFFFAOYSA-N 1 0 345.362 3.454 20 5 EGBDRO [NH3+]C[C@@H]1COc2ccccc2N1c1nccc2c1cccc2[N+](=O)[O-] ZINC001171388922 1384510311 /nfs/dbraw/zinc/51/03/11/1384510311.db2.gz DAYKKCPMRBYGCT-GFCCVEGCSA-N 1 0 336.351 3.001 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](CO)CC(F)(F)F ZINC001335836582 1388947593 /nfs/dbraw/zinc/94/75/93/1388947593.db2.gz COGSKTBCOUIIKX-RKDXNWHRSA-N 1 0 338.351 3.281 20 5 EGBDRO COc1ccc(C[NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)cn1 ZINC001172901233 1384874178 /nfs/dbraw/zinc/87/41/78/1384874178.db2.gz LPEPWYMPDQJTFR-MRXNPFEDSA-N 1 0 327.384 3.036 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]CCc1ccc(CO)cc1)CC2 ZINC001172902569 1384874831 /nfs/dbraw/zinc/87/48/31/1384874831.db2.gz FBXATDJUQYTVSD-LJQANCHMSA-N 1 0 340.423 3.167 20 5 EGBDRO C[C@]1(CO)CCC[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172903684 1384874983 /nfs/dbraw/zinc/87/49/83/1384874983.db2.gz INZXJFUIPXSSPF-HKUYNNGSSA-N 1 0 332.444 3.327 20 5 EGBDRO C[C@@H]1C[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCC[C@@]1(C)O ZINC001172902939 1384875006 /nfs/dbraw/zinc/87/50/06/1384875006.db2.gz DGMSYGSCPLQFRY-LSBZLQRGSA-N 1 0 332.444 3.325 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CC[C@@H]3CCCO[C@@H]3C1)CC2 ZINC001172905606 1384875347 /nfs/dbraw/zinc/87/53/47/1384875347.db2.gz SRFMRDDWQVUZLV-KVSKMBFKSA-N 1 0 330.428 3.343 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@@H]1CCCc3nccnc31)CC2 ZINC001172905147 1384875467 /nfs/dbraw/zinc/87/54/67/1384875467.db2.gz QREXYQCQVJOBFR-MAUKXSAKSA-N 1 0 338.411 3.299 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CCC[C@](O)(CF)CC1)CC2 ZINC001172908828 1384875916 /nfs/dbraw/zinc/87/59/16/1384875916.db2.gz OUJNBLFWNYSYMV-SJLPKXTDSA-N 1 0 336.407 3.029 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH+]1CCN(C3CCC3)CC1)CC2 ZINC001172909635 1384876349 /nfs/dbraw/zinc/87/63/49/1384876349.db2.gz UJVQUYGIUZEVRI-GOSISDBHSA-N 1 0 329.444 3.012 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]C13CCC(O)(CC1)CC3)CC2 ZINC001172912421 1384876403 /nfs/dbraw/zinc/87/64/03/1384876403.db2.gz OGVXWJDAHGAHFI-IVMQYODDSA-N 1 0 330.428 3.270 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]Cc1nccc(Cl)n1)CC2 ZINC001172913484 1384877067 /nfs/dbraw/zinc/87/70/67/1384877067.db2.gz WCMDRWBBUKDWAX-ZDUSSCGKSA-N 1 0 332.791 3.075 20 5 EGBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH2+]C3CC(F)(F)C3)CC2)c(F)c1 ZINC001173007715 1384897659 /nfs/dbraw/zinc/89/76/59/1384897659.db2.gz YVNNUXUREHTXEL-UHFFFAOYSA-N 1 0 347.312 3.229 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]Cc2cnc(C)s2)c1F ZINC001173175540 1384931816 /nfs/dbraw/zinc/93/18/16/1384931816.db2.gz PEGNZNIDWSMOLY-VIFPVBQESA-N 1 0 339.392 3.228 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CC2CC(F)(F)C2)c1F ZINC001173176815 1384931849 /nfs/dbraw/zinc/93/18/49/1384931849.db2.gz LZQFPYUSAAODAA-SECBINFHSA-N 1 0 332.322 3.308 20 5 EGBDRO CC(C)COc1cc(C[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)ncn1 ZINC001173218129 1384937719 /nfs/dbraw/zinc/93/77/19/1384937719.db2.gz BHLCJLAXSDCGIC-CQSZACIVSA-N 1 0 344.415 3.140 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(Oc2ccccn2)CC1 ZINC001173228129 1384940266 /nfs/dbraw/zinc/94/02/66/1384940266.db2.gz TZQXQMCAAJNKAG-HNNXBMFYSA-N 1 0 341.411 3.464 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@]2(C1)CC(F)(F)CO2 ZINC001173232486 1384941192 /nfs/dbraw/zinc/94/11/92/1384941192.db2.gz HDKCPVFUXCCSDR-WFASDCNBSA-N 1 0 326.343 3.026 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2nc(C3CC3)ncc2C1 ZINC001173233699 1384941761 /nfs/dbraw/zinc/94/17/61/1384941761.db2.gz MFAUCEXNCQHPLV-CYBMUJFWSA-N 1 0 338.411 3.252 20 5 EGBDRO CC[NH+](CC)Cc1ccc(C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)o1 ZINC001319122802 1385967144 /nfs/dbraw/zinc/96/71/44/1385967144.db2.gz DJRLTVVYXYRKEX-UHFFFAOYSA-N 1 0 343.383 3.186 20 5 EGBDRO O=C(CC1CC1)NCCCCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001177742455 1386031610 /nfs/dbraw/zinc/03/16/10/1386031610.db2.gz IFTXGPIOPAIKQN-UHFFFAOYSA-N 1 0 333.432 3.161 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CCc3ccc(F)cc3)CC2)cc1 ZINC001320174141 1386547974 /nfs/dbraw/zinc/54/79/74/1386547974.db2.gz KLJPUAAMQSEUNU-UHFFFAOYSA-N 1 0 329.375 3.099 20 5 EGBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@@H]3CCCC[C@H]3C2)c1 ZINC001329583006 1389166521 /nfs/dbraw/zinc/16/65/21/1389166521.db2.gz LJLFRSZAOVASQK-ZFWWWQNUSA-N 1 0 332.400 3.394 20 5 EGBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)C[C@H]1C ZINC001337680944 1389416107 /nfs/dbraw/zinc/41/61/07/1389416107.db2.gz YGZBONDGLBCMKB-YPMHNXCESA-N 1 0 338.383 3.070 20 5 EGBDRO C[N@@H+]1CCC[C@H]2CN(c3ncc([N+](=O)[O-])c4ccccc43)CC[C@@H]21 ZINC001331120361 1389632219 /nfs/dbraw/zinc/63/22/19/1389632219.db2.gz TUTWQIFGJYOGIF-BBRMVZONSA-N 1 0 326.400 3.064 20 5 EGBDRO C[C@@H]1OCC[C@]1(C)[NH2+]Cc1cc([N+](=O)[O-])ccc1Br ZINC001332990312 1390231440 /nfs/dbraw/zinc/23/14/40/1390231440.db2.gz KBTDWPWRTLQQCP-ZANVPECISA-N 1 0 329.194 3.014 20 5 EGBDRO Cc1ccc([C@H](C)NC(=O)[C@@H]2CC[C@@H]3C[C@H](C)C[N@@H+]3C2)cc1[N+](=O)[O-] ZINC001346668335 1390968148 /nfs/dbraw/zinc/96/81/48/1390968148.db2.gz LMIVKUNYORQJBZ-GUDXXQAFSA-N 1 0 345.443 3.201 20 5 EGBDRO O=[N+]([O-])c1ccc2nccc(NC3CCN(c4cc[nH+]cc4)CC3)c2c1 ZINC001348594678 1391242940 /nfs/dbraw/zinc/24/29/40/1391242940.db2.gz CYODSZMLRMOSMF-UHFFFAOYSA-N 1 0 349.394 3.041 20 5 EGBDRO CN(CCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1)C(=O)CC1CCC1 ZINC001755037355 1440735260 /nfs/dbraw/zinc/73/52/60/1440735260.db2.gz PLJZVDHPDHHTEN-UHFFFAOYSA-N 1 0 333.432 3.065 20 5 EGBDRO CCC(C)(C)C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001755477224 1440859533 /nfs/dbraw/zinc/85/95/33/1440859533.db2.gz NEIFVXDCNNLKTH-CTYIDZIISA-N 1 0 333.432 3.015 20 5 EGBDRO O=[N+]([O-])c1cnc(N2CC3(C2)CC[N@H+](CC2CC2)C3)c2ccccc21 ZINC001164773646 721286734 /nfs/dbraw/zinc/28/67/34/721286734.db2.gz SMHCHYPOZMIMRT-UHFFFAOYSA-N 1 0 338.411 3.065 20 5 EGBDRO CCCCN(C)C(=O)C1CC[NH+](Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000052187149 214120617 /nfs/dbraw/zinc/12/06/17/214120617.db2.gz ZATYOGYANSYJLU-UHFFFAOYSA-N 1 0 347.459 3.374 20 5 EGBDRO Nc1ccc(NC[C@H]2CC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000368552493 168371999 /nfs/dbraw/zinc/37/19/99/168371999.db2.gz YWLYCZAIKZDUFG-OAHLLOKOSA-N 1 0 326.400 3.111 20 5 EGBDRO CC(C)[NH+]1CCC(NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 ZINC000054460606 214239095 /nfs/dbraw/zinc/23/90/95/214239095.db2.gz DDZWNCXYOWLHHA-UHFFFAOYSA-N 1 0 347.459 3.495 20 5 EGBDRO CC(C)c1ccc(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000368933894 168382715 /nfs/dbraw/zinc/38/27/15/168382715.db2.gz RFWRGOGWLHDGQD-HUUCEWRRSA-N 1 0 331.416 3.075 20 5 EGBDRO C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2F)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000178655779 232343080 /nfs/dbraw/zinc/34/30/80/232343080.db2.gz ZJBDPZXCTPVRMS-MLGOLLRUSA-N 1 0 343.358 3.190 20 5 EGBDRO Cc1nccn1C[C@H](C)C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000178696317 232386891 /nfs/dbraw/zinc/38/68/91/232386891.db2.gz SFXUOVJFCZTSGK-RDTXWAMCSA-N 1 0 342.443 3.347 20 5 EGBDRO Cc1cc(C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)ccc1[N+](=O)[O-] ZINC000181632299 234260131 /nfs/dbraw/zinc/26/01/31/234260131.db2.gz DDHFKRCTYVHFKZ-GDBMZVCRSA-N 1 0 345.443 3.286 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)NCc2ccccc2F)cc1[N+](=O)[O-] ZINC000181811951 234332925 /nfs/dbraw/zinc/33/29/25/234332925.db2.gz IKOMYXRSXFMBNB-CYBMUJFWSA-N 1 0 345.374 3.009 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)N[C@@H](C)c2cccs2)cc1[N+](=O)[O-] ZINC000181816392 234333998 /nfs/dbraw/zinc/33/39/98/234333998.db2.gz UFGDAWQHVFJFKM-STQMWFEESA-N 1 0 347.440 3.493 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC(Oc3ccc(F)nc3)CC2)cc1 ZINC000191681391 239247145 /nfs/dbraw/zinc/24/71/45/239247145.db2.gz VPCXCJZGKWTLSI-UHFFFAOYSA-N 1 0 331.347 3.172 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000355759943 241832729 /nfs/dbraw/zinc/83/27/29/241832729.db2.gz YOCULUYSNJLCSE-GOSISDBHSA-N 1 0 347.459 3.442 20 5 EGBDRO C[N@H+](CCNc1ncc(Br)cc1[N+](=O)[O-])C1CCCC1 ZINC000110513621 220042009 /nfs/dbraw/zinc/04/20/09/220042009.db2.gz RDOYPXIXVHQXKG-UHFFFAOYSA-N 1 0 343.225 3.039 20 5 EGBDRO Cc1cc([N+](=O)[O-])cnc1N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000111176503 220105300 /nfs/dbraw/zinc/10/53/00/220105300.db2.gz UPQBXQLHXGYSLK-MRXNPFEDSA-N 1 0 326.400 3.375 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(NC2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000266411032 248287049 /nfs/dbraw/zinc/28/70/49/248287049.db2.gz QOLVYTQGOGFBNG-UHFFFAOYSA-N 1 0 342.399 3.075 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H]([NH+]3[C@H](C)CC[C@H]3C)C2)c1 ZINC000408232152 169166353 /nfs/dbraw/zinc/16/63/53/169166353.db2.gz RQPXBGXGKGPFFK-OAGGEKHMSA-N 1 0 345.443 3.381 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccccc3)CC2)c2ccncc21 ZINC000012514810 211396812 /nfs/dbraw/zinc/39/68/12/211396812.db2.gz VPOCSHYHESIWFF-UHFFFAOYSA-N 1 0 348.406 3.465 20 5 EGBDRO Cc1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000093281286 218210990 /nfs/dbraw/zinc/21/09/90/218210990.db2.gz ZHFCBFREJATJPB-INIZCTEOSA-N 1 0 347.459 3.278 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000094068626 218263664 /nfs/dbraw/zinc/26/36/64/218263664.db2.gz IQNFIQHYGCQJKX-INIZCTEOSA-N 1 0 347.459 3.370 20 5 EGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[C@H]([NH+]2CCCC2)C1 ZINC000072089525 285085928 /nfs/dbraw/zinc/08/59/28/285085928.db2.gz NHEQGYIONVCBRR-LBPRGKRZSA-N 1 0 329.322 3.288 20 5 EGBDRO CC[NH+](CC)CCCCNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000112919539 220421865 /nfs/dbraw/zinc/42/18/65/220421865.db2.gz VLXZYDIMAOUEPG-UHFFFAOYSA-N 1 0 327.812 3.100 20 5 EGBDRO COc1ccc([C@@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000178569337 533133708 /nfs/dbraw/zinc/13/37/08/533133708.db2.gz LZNVPGSDKUHGGR-OALUTQOASA-N 1 0 342.395 3.378 20 5 EGBDRO CC(C)[C@@H]1CCCC[N@@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000117347287 221055906 /nfs/dbraw/zinc/05/59/06/221055906.db2.gz GYNQSWLZBQBVPF-HNNXBMFYSA-N 1 0 347.415 3.403 20 5 EGBDRO CCN(CCC[NH+]1CCCC1)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000350725232 141262790 /nfs/dbraw/zinc/26/27/90/141262790.db2.gz UQXRCHOUZQAUBQ-UHFFFAOYSA-N 1 0 328.416 3.455 20 5 EGBDRO Cc1cc(NC(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000338352298 142624013 /nfs/dbraw/zinc/62/40/13/142624013.db2.gz GMQUZKCKSIUPDJ-GXTWGEPZSA-N 1 0 334.420 3.145 20 5 EGBDRO C[C@@H](NC(=O)c1cccc(C[NH+](C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000172616576 144024289 /nfs/dbraw/zinc/02/42/89/144024289.db2.gz YLQTWZKUCGOJBY-CYBMUJFWSA-N 1 0 327.384 3.147 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CCC2(CCCC2)C1 ZINC000173829528 144049366 /nfs/dbraw/zinc/04/93/66/144049366.db2.gz DEQRLRARJCIYNZ-CYBMUJFWSA-N 1 0 347.415 3.197 20 5 EGBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000192539328 144176365 /nfs/dbraw/zinc/17/63/65/144176365.db2.gz DUXYJGAUPYWADP-OAHLLOKOSA-N 1 0 331.420 3.143 20 5 EGBDRO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)C12CCCC2 ZINC000344625677 144201334 /nfs/dbraw/zinc/20/13/34/144201334.db2.gz JOFYQUSSWJFABH-SJORKVTESA-N 1 0 334.416 3.431 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H](O)C(F)F)s2)cc1 ZINC000344765343 144221688 /nfs/dbraw/zinc/22/16/88/144221688.db2.gz WLCLAIXBLDNRDB-LBPRGKRZSA-N 1 0 328.340 3.039 20 5 EGBDRO Cc1nc(C)c(CC[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)s1 ZINC000351498642 144270048 /nfs/dbraw/zinc/27/00/48/144270048.db2.gz BZJKOFLONOYKHP-KGLIPLIRSA-N 1 0 349.460 3.181 20 5 EGBDRO C[C@H]1CCC[C@H]([N@H+](C)CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000117335277 152094188 /nfs/dbraw/zinc/09/41/88/152094188.db2.gz WUEWNWJBQZWVGH-KBPBESRZSA-N 1 0 347.415 3.403 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1CC[C@@H](C)C[C@H]1C ZINC000119216545 152185442 /nfs/dbraw/zinc/18/54/42/152185442.db2.gz SXWJJYXLFRMLKL-UMVBOHGHSA-N 1 0 349.431 3.346 20 5 EGBDRO CN(CC(=O)NC1CC1)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000120338574 152269320 /nfs/dbraw/zinc/26/93/20/152269320.db2.gz KKFAKDCIHFGCQS-UHFFFAOYSA-N 1 0 345.424 3.034 20 5 EGBDRO C[C@@H]([NH2+]CC(=O)N(C)[C@@H](C)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000341595633 155374583 /nfs/dbraw/zinc/37/45/83/155374583.db2.gz OKNGSXJUZYTXDR-CABCVRRESA-N 1 0 341.411 3.465 20 5 EGBDRO Cc1cc(NC(=O)NC2CC[NH+](C3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000193653073 153299540 /nfs/dbraw/zinc/29/95/40/153299540.db2.gz ONDQNHXAHTVUIL-UHFFFAOYSA-N 1 0 346.431 3.432 20 5 EGBDRO C[C@H]([NH2+][C@@H](C)c1cccnc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000194720653 153354016 /nfs/dbraw/zinc/35/40/16/153354016.db2.gz WCADRRUIFVQYAO-QWRGUYRKSA-N 1 0 348.790 3.321 20 5 EGBDRO CSC[C@](C)(O)C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000245526137 153591569 /nfs/dbraw/zinc/59/15/69/153591569.db2.gz FIJBCUAWNKLXTM-JLJPHGGASA-N 1 0 338.473 3.010 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCC(C)(C)CC1 ZINC000303923868 154061357 /nfs/dbraw/zinc/06/13/57/154061357.db2.gz PIAANBWVOBPGIG-UHFFFAOYSA-N 1 0 349.431 3.444 20 5 EGBDRO COc1ccc(-c2ccc(C[N@@H+]3CC[C@H]([C@@H](C)O)C3)o2)c([N+](=O)[O-])c1 ZINC000305840311 154134728 /nfs/dbraw/zinc/13/47/28/154134728.db2.gz GXZODDNJABITKX-OLZOCXBDSA-N 1 0 346.383 3.066 20 5 EGBDRO Cc1cc([N+](=O)[O-])cnc1N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000310285046 154141093 /nfs/dbraw/zinc/14/10/93/154141093.db2.gz LZCIYLVQUPLRLO-WMLDXEAASA-N 1 0 326.400 3.373 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000326614353 154184353 /nfs/dbraw/zinc/18/43/53/154184353.db2.gz PMJBQQYTGUOWIW-QGZVFWFLSA-N 1 0 327.384 3.113 20 5 EGBDRO Cc1ccc(NC(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000337364804 154310721 /nfs/dbraw/zinc/31/07/21/154310721.db2.gz KLYUHVPFVWGIFY-OCCSQVGLSA-N 1 0 334.420 3.145 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000337385545 154325125 /nfs/dbraw/zinc/32/51/25/154325125.db2.gz WYSBWADOVCXLRP-OCCSQVGLSA-N 1 0 334.420 3.145 20 5 EGBDRO [NH3+]CCN(Cc1cnc(-c2ccco2)s1)c1ccccc1[N+](=O)[O-] ZINC000348907594 156284234 /nfs/dbraw/zinc/28/42/34/156284234.db2.gz XPDBMURBKGBKDX-UHFFFAOYSA-N 1 0 344.396 3.277 20 5 EGBDRO CCOc1cccc(N2CCCC3(CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000369863495 286572651 /nfs/dbraw/zinc/57/26/51/286572651.db2.gz LXNHHGGKNMDLHA-UHFFFAOYSA-N 1 0 333.432 3.306 20 5 EGBDRO O=C(NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1)C1CCCCC1 ZINC000065963095 161574210 /nfs/dbraw/zinc/57/42/10/161574210.db2.gz XNLIADJJMWGIRS-UHFFFAOYSA-N 1 0 345.443 3.256 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000093961371 162033597 /nfs/dbraw/zinc/03/35/97/162033597.db2.gz KKUSZPUZCDHAAQ-AWEZNQCLSA-N 1 0 333.432 3.124 20 5 EGBDRO COc1ccc(CSCC(=O)Nc2ccnc(C)c2)cc1[N+](=O)[O-] ZINC000112298664 162171047 /nfs/dbraw/zinc/17/10/47/162171047.db2.gz ZAJKMLBEORQPRT-UHFFFAOYSA-N 1 0 347.396 3.179 20 5 EGBDRO COc1ccc(-c2ccc(C[NH2+][C@@H]3CCCC[C@@H]3O)o2)c([N+](=O)[O-])c1 ZINC000114215874 162225205 /nfs/dbraw/zinc/22/52/05/162225205.db2.gz RYWZTGWWBFOXPS-WBVHZDCISA-N 1 0 346.383 3.257 20 5 EGBDRO C[C@H]([NH2+][C@@H]1CCN(c2ncccc2F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000126253008 162298024 /nfs/dbraw/zinc/29/80/24/162298024.db2.gz ZUFXGPGIZSAMOU-GXTWGEPZSA-N 1 0 330.363 3.058 20 5 EGBDRO C[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000248436790 163005364 /nfs/dbraw/zinc/00/53/64/163005364.db2.gz AXXQOTVLLQDCLJ-IDHHARJASA-N 1 0 342.395 3.028 20 5 EGBDRO C[C@H](C[C@@H]1CCCO1)[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000338710576 163326622 /nfs/dbraw/zinc/32/66/22/163326622.db2.gz WQTOSWKITBLNMS-DYVFJYSZSA-N 1 0 344.415 3.043 20 5 EGBDRO C[NH+](C)C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000338764005 163342080 /nfs/dbraw/zinc/34/20/80/163342080.db2.gz XNBHFCISUFRVIS-MRXNPFEDSA-N 1 0 347.802 3.281 20 5 EGBDRO CN(C)c1ccccc1C[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000344101525 164103009 /nfs/dbraw/zinc/10/30/09/164103009.db2.gz FFOIOOWLEKEMGT-UHFFFAOYSA-N 1 0 329.400 3.172 20 5 EGBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]C2CC(C(F)(F)F)C2)n1 ZINC000348692644 164798115 /nfs/dbraw/zinc/79/81/15/164798115.db2.gz FCOFWXWHORQELL-QQFIATSDSA-N 1 0 332.326 3.206 20 5 EGBDRO Cn1cc(-c2ccccc2C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)cn1 ZINC000350312560 165028301 /nfs/dbraw/zinc/02/83/01/165028301.db2.gz QWYVHDULBPMYEQ-UHFFFAOYSA-N 1 0 340.358 3.424 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000352384150 165374227 /nfs/dbraw/zinc/37/42/27/165374227.db2.gz RRKMOVRZWVSPPU-GOSISDBHSA-N 1 0 347.459 3.444 20 5 EGBDRO CC(C)OCC[NH+]1CCN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000353779594 165888336 /nfs/dbraw/zinc/88/83/36/165888336.db2.gz ITHOAMNXNGPKRC-UHFFFAOYSA-N 1 0 349.475 3.261 20 5 EGBDRO CC[C@@H]1C[N@H+](Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C[C@H]1O ZINC000355194233 166128696 /nfs/dbraw/zinc/12/86/96/166128696.db2.gz GKCIJXKHUNOPTL-SJKOYZFVSA-N 1 0 346.383 3.066 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC[N@@H+](C(C)C)CC1 ZINC000355370441 166177270 /nfs/dbraw/zinc/17/72/70/166177270.db2.gz ZEVJSWTVYAPHBM-UHFFFAOYSA-N 1 0 335.448 3.298 20 5 EGBDRO CCC[C@@H]([NH2+]C(C)C)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000355459925 166207513 /nfs/dbraw/zinc/20/75/13/166207513.db2.gz LWVYYCLMJCTHEV-QGZVFWFLSA-N 1 0 333.432 3.253 20 5 EGBDRO Cn1cnc([N+](=O)[O-])c1C[N@H+](CCc1ccccc1F)C1CCCC1 ZINC000355543107 166238683 /nfs/dbraw/zinc/23/86/83/166238683.db2.gz KVJILYJTKSEKPY-UHFFFAOYSA-N 1 0 346.406 3.455 20 5 EGBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H]1OC ZINC000355747169 166296024 /nfs/dbraw/zinc/29/60/24/166296024.db2.gz IARVXZGMSVBRES-JQHSSLGASA-N 1 0 346.383 3.137 20 5 EGBDRO Cc1c(NC(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000358984371 167026945 /nfs/dbraw/zinc/02/69/45/167026945.db2.gz TWPLLDHTDAOPTH-CHWSQXEVSA-N 1 0 334.420 3.145 20 5 EGBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)N1Cc2ccccc2C1 ZINC000359041072 167046817 /nfs/dbraw/zinc/04/68/17/167046817.db2.gz WZCKILURANHKSD-UONOGXRCSA-N 1 0 339.395 3.176 20 5 EGBDRO CC[C@@H](C)[NH2+][C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1C)c1ccco1 ZINC000359555659 167191611 /nfs/dbraw/zinc/19/16/11/167191611.db2.gz KYGWIXAGXKKYEI-CZUORRHYSA-N 1 0 345.399 3.355 20 5 EGBDRO CC[C@@H](C)[NH2+][C@H](CNC(=O)c1ccc([N+](=O)[O-])s1)c1ccco1 ZINC000359565400 167195475 /nfs/dbraw/zinc/19/54/75/167195475.db2.gz USEFLCQNTOIHNU-GHMZBOCLSA-N 1 0 337.401 3.109 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(NCCC[N@@H+]2CCc3ccccc3C2)n1 ZINC000360662133 167381485 /nfs/dbraw/zinc/38/14/85/167381485.db2.gz FCGHCMGAVARMBC-UHFFFAOYSA-N 1 0 326.400 3.159 20 5 EGBDRO C[C@H]1C[C@@H](c2ccccc2)CC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000366868049 168150205 /nfs/dbraw/zinc/15/02/05/168150205.db2.gz LKQZFFHHVLWWDO-RDJZCZTQSA-N 1 0 341.411 3.025 20 5 EGBDRO C[C@@H]1C[C@@H](c2ccccc2)CC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000366868050 168150294 /nfs/dbraw/zinc/15/02/94/168150294.db2.gz LKQZFFHHVLWWDO-WBVHZDCISA-N 1 0 341.411 3.025 20 5 EGBDRO Cn1nccc1[C@@H]1CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000367467853 168230932 /nfs/dbraw/zinc/23/09/32/168230932.db2.gz XPZBIRDHBCQEET-IEXSPKMKSA-N 1 0 326.400 3.221 20 5 EGBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000367540321 168239011 /nfs/dbraw/zinc/23/90/11/168239011.db2.gz KOKPPEJIDIRWRJ-OAGGEKHMSA-N 1 0 326.400 3.096 20 5 EGBDRO C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000123147906 222223385 /nfs/dbraw/zinc/22/33/85/222223385.db2.gz YHLUMNSXGMUCEG-CYBMUJFWSA-N 1 0 345.374 3.283 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCN(CC(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000124244748 222397521 /nfs/dbraw/zinc/39/75/21/222397521.db2.gz VKSBJVRPDISSJV-OLZOCXBDSA-N 1 0 345.365 3.438 20 5 EGBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000176190952 265161671 /nfs/dbraw/zinc/16/16/71/265161671.db2.gz VHFSRELAEUWEQX-HOCLYGCPSA-N 1 0 348.447 3.138 20 5 EGBDRO CCC[N@H+](C)[C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000178616004 265329576 /nfs/dbraw/zinc/32/95/76/265329576.db2.gz JCKWPIRXAVDLKH-LLVKDONJSA-N 1 0 348.428 3.387 20 5 EGBDRO C[C@@H]1CCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[C@H]1C[NH3+] ZINC000179223240 265368130 /nfs/dbraw/zinc/36/81/30/265368130.db2.gz FQZBVZOYKOBWBN-MFKMUULPSA-N 1 0 333.413 3.009 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@]1(O)CCC[C@@H](C(F)(F)F)C1 ZINC000189627305 265779119 /nfs/dbraw/zinc/77/91/19/265779119.db2.gz YNNRSRUIKIKMNB-TZMCWYRMSA-N 1 0 332.322 3.168 20 5 EGBDRO CC1CC[NH+](CCCCNC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000193742407 266057291 /nfs/dbraw/zinc/05/72/91/266057291.db2.gz IBXOGEOTJJEAKJ-UHFFFAOYSA-N 1 0 334.420 3.228 20 5 EGBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH+]3CCCCC3)CC2)c(F)c1 ZINC000269673276 266339048 /nfs/dbraw/zinc/33/90/48/266339048.db2.gz XXELKJZOTGVTJL-UHFFFAOYSA-N 1 0 325.359 3.328 20 5 EGBDRO CCn1cc(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])cn1 ZINC000271553954 266686198 /nfs/dbraw/zinc/68/61/98/266686198.db2.gz WFVBVOZSTBOOID-WBVHZDCISA-N 1 0 328.416 3.312 20 5 EGBDRO COc1cc(C[N@@H+]2CC[C@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272233215 266798822 /nfs/dbraw/zinc/79/88/22/266798822.db2.gz FDKKTGFKWJTGIK-JTQLQIEISA-N 1 0 330.331 3.089 20 5 EGBDRO C[N@H+]1CC=C(CNc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000273904064 267139445 /nfs/dbraw/zinc/13/94/45/267139445.db2.gz IAOIIVVIVOHLPZ-UHFFFAOYSA-N 1 0 326.194 3.031 20 5 EGBDRO CCC[C@H]([NH2+]CCCCCS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000274821716 267292921 /nfs/dbraw/zinc/29/29/21/267292921.db2.gz YJQSQMUIMVKHJP-INIZCTEOSA-N 1 0 342.461 3.241 20 5 EGBDRO CC[C@@H]([NH2+]CCCCCS(=O)(=O)CC)c1cccc([N+](=O)[O-])c1 ZINC000276443103 267547827 /nfs/dbraw/zinc/54/78/27/267547827.db2.gz RUBFCDWEXNSSFM-MRXNPFEDSA-N 1 0 342.461 3.241 20 5 EGBDRO Cc1ccc(CN2CCC[C@@H]([C@H](O)C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000278439615 268013606 /nfs/dbraw/zinc/01/36/06/268013606.db2.gz VRGBHLUODUOPCW-OCCSQVGLSA-N 1 0 332.322 3.038 20 5 EGBDRO Cc1cc(C(=O)Nc2ccc(OCC[NH+](C)C)cc2)ccc1[N+](=O)[O-] ZINC000046722067 275138350 /nfs/dbraw/zinc/13/83/50/275138350.db2.gz HOHLMELKNXZAJL-UHFFFAOYSA-N 1 0 343.383 3.096 20 5 EGBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000185442152 275215658 /nfs/dbraw/zinc/21/56/58/275215658.db2.gz DHUCDIKRIJDNGC-RYRKJORJSA-N 1 0 347.459 3.153 20 5 EGBDRO CC[C@H]([NH2+]CCCN1CCCO[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000278724650 275269076 /nfs/dbraw/zinc/26/90/76/275269076.db2.gz WCDMBXZNXWSENM-YJBOKZPZSA-N 1 0 335.448 3.136 20 5 EGBDRO Cc1cnccc1OC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000278797390 275275755 /nfs/dbraw/zinc/27/57/55/275275755.db2.gz XGGHPOHCEBHTRN-UHFFFAOYSA-N 1 0 327.384 3.342 20 5 EGBDRO C[C@H]1C[C@@H](NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC[N@@H+]1C ZINC000279616036 275344144 /nfs/dbraw/zinc/34/41/44/275344144.db2.gz XTVOJSBKMPCBPV-GWCFXTLKSA-N 1 0 331.338 3.186 20 5 EGBDRO CCOc1cc(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)ccc1OC ZINC000283993168 275766270 /nfs/dbraw/zinc/76/62/70/275766270.db2.gz HKHIOVFEWKERDR-GFCCVEGCSA-N 1 0 345.399 3.435 20 5 EGBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000286483168 276006009 /nfs/dbraw/zinc/00/60/09/276006009.db2.gz WURNVNKBUKTJBP-CZUORRHYSA-N 1 0 326.400 3.206 20 5 EGBDRO CCC(=O)c1ccc(N2CC[C@H]([NH+]3CCCC3)[C@H]2C)c([N+](=O)[O-])c1 ZINC000286562110 276016984 /nfs/dbraw/zinc/01/69/84/276016984.db2.gz WYELFFYGYPEKJQ-HIFRSBDPSA-N 1 0 331.416 3.251 20 5 EGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1nccc(C(F)F)n1 ZINC000287015673 276071276 /nfs/dbraw/zinc/07/12/76/276071276.db2.gz KWJGTQGQYCZADD-LLVKDONJSA-N 1 0 336.342 3.433 20 5 EGBDRO CC[NH+](CC)[C@@H](CNC(=O)c1cc(C)ccc1[N+](=O)[O-])c1ccco1 ZINC000173285984 276113642 /nfs/dbraw/zinc/11/36/42/276113642.db2.gz BUDVMWOKEBBQBF-INIZCTEOSA-N 1 0 345.399 3.309 20 5 EGBDRO O=[N+]([O-])c1cccc(F)c1NC1CC[NH+](Cc2cccnc2)CC1 ZINC000287914284 276168941 /nfs/dbraw/zinc/16/89/41/276168941.db2.gz WDZOTVIXVAVCPD-UHFFFAOYSA-N 1 0 330.363 3.205 20 5 EGBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000288460742 276216486 /nfs/dbraw/zinc/21/64/86/276216486.db2.gz UFIFKTWFDKFNCQ-SFHVURJKSA-N 1 0 345.443 3.003 20 5 EGBDRO C[C@@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1Cl)C[NH+]1CCCC1 ZINC000289664712 276374396 /nfs/dbraw/zinc/37/43/96/276374396.db2.gz MKBUWIVCFBCCOO-NSHDSACASA-N 1 0 340.811 3.102 20 5 EGBDRO Cc1cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc(N2CCCC2)n1 ZINC000289715096 276382385 /nfs/dbraw/zinc/38/23/85/276382385.db2.gz FRHVFZMHJMKNNV-UHFFFAOYSA-N 1 0 326.400 3.188 20 5 EGBDRO CC(C)c1ccc(C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000190063393 278032263 /nfs/dbraw/zinc/03/22/63/278032263.db2.gz OUVDJAXLWHQWRP-GXTWGEPZSA-N 1 0 331.416 3.073 20 5 EGBDRO CCc1ccc(C(=O)N2CCCC3(CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000374166064 281394245 /nfs/dbraw/zinc/39/42/45/281394245.db2.gz VNHSANPYKCJKTP-UHFFFAOYSA-N 1 0 345.443 3.105 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+]C(C)(C)CC(C)(C)C ZINC000053123326 307334766 /nfs/dbraw/zinc/33/47/66/307334766.db2.gz XDQHFFJKOULKEH-UHFFFAOYSA-N 1 0 337.420 3.346 20 5 EGBDRO CC1CCC([NH+]2CCN(CCc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000115567581 307481782 /nfs/dbraw/zinc/48/17/82/307481782.db2.gz PSNPDLHYZKFUPT-UHFFFAOYSA-N 1 0 331.460 3.334 20 5 EGBDRO CC[C@@H]1CCCC[C@@H]1[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000118983691 307489094 /nfs/dbraw/zinc/48/90/94/307489094.db2.gz CGRSPSKXNLBWGW-HIFRSBDPSA-N 1 0 349.431 3.490 20 5 EGBDRO Cc1c([C@H](C)[NH2+]CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000119508748 307496640 /nfs/dbraw/zinc/49/66/40/307496640.db2.gz FBNSBFLQNNOSSQ-FMKPAKJESA-N 1 0 349.475 3.442 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])cn1 ZINC000414100879 309060967 /nfs/dbraw/zinc/06/09/67/309060967.db2.gz BFEPBALSSIMIOH-LBPRGKRZSA-N 1 0 349.818 3.415 20 5 EGBDRO C[C@H]([NH2+]C[C@@H]1CNC(=O)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000414205017 309066758 /nfs/dbraw/zinc/06/67/58/309066758.db2.gz WYRIMUCKUGNKQN-NWDGAFQWSA-N 1 0 345.424 3.110 20 5 EGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCC(F)(F)[C@H]1O ZINC000414302999 309071609 /nfs/dbraw/zinc/07/16/09/309071609.db2.gz PAKXZHLHVAYQBT-KYOSRNDESA-N 1 0 328.359 3.054 20 5 EGBDRO Cc1ccc([C@H](C)[N@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000248372927 308001519 /nfs/dbraw/zinc/00/15/19/308001519.db2.gz DTWCDIJSTSGGTN-DOTOQJQBSA-N 1 0 344.411 3.336 20 5 EGBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])[C@H]1Oc1ccccc1 ZINC000248539063 308005323 /nfs/dbraw/zinc/00/53/23/308005323.db2.gz AJVZYBAQRXHEOJ-BHIYHBOVSA-N 1 0 342.395 3.309 20 5 EGBDRO C[C@@H]1CCC[C@@]1(O)C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000293000004 308088881 /nfs/dbraw/zinc/08/88/81/308088881.db2.gz MZOMBFYEFNDDBT-SJKOYZFVSA-N 1 0 347.440 3.359 20 5 EGBDRO CCc1ncc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC000414470358 309082227 /nfs/dbraw/zinc/08/22/27/309082227.db2.gz OAVOZKMFLIYMCS-INIZCTEOSA-N 1 0 326.400 3.327 20 5 EGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1snnc1C ZINC000293315641 308119572 /nfs/dbraw/zinc/11/95/72/308119572.db2.gz FIJRKWNBCGYFLO-NSHDSACASA-N 1 0 338.458 3.415 20 5 EGBDRO CC(C)(CCC(=O)Nc1ccc(CC[NH+]2CCCC2)cc1)[N+](=O)[O-] ZINC000294599460 308236477 /nfs/dbraw/zinc/23/64/77/308236477.db2.gz RDKLVRTXLYTHRM-UHFFFAOYSA-N 1 0 333.432 3.099 20 5 EGBDRO CC(C)NC(=O)[C@@H](C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000414540159 309087574 /nfs/dbraw/zinc/08/75/74/309087574.db2.gz FYEBBPKBBJXLHC-GFCCVEGCSA-N 1 0 347.440 3.326 20 5 EGBDRO CC(C)c1nnc(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])[nH]1 ZINC000294700933 308247352 /nfs/dbraw/zinc/24/73/52/308247352.db2.gz DAYKBCRHCHKQHE-DZGCQCFKSA-N 1 0 343.431 3.337 20 5 EGBDRO C[C@@H](CCO)CC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000295123924 308294255 /nfs/dbraw/zinc/29/42/55/308294255.db2.gz NQQXDVOTSLTSOT-GFCCVEGCSA-N 1 0 335.429 3.217 20 5 EGBDRO CC[C@H](COCC(F)(F)F)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000295195949 308301817 /nfs/dbraw/zinc/30/18/17/308301817.db2.gz XZLMKXXSPDHFEY-LLVKDONJSA-N 1 0 336.310 3.051 20 5 EGBDRO CC[C@](C[NH2+]Cc1ccccc1[N+](=O)[O-])(C(=O)OC)c1ccccc1 ZINC000414595278 309091205 /nfs/dbraw/zinc/09/12/05/309091205.db2.gz ZFTVNSFVZLYTAS-LJQANCHMSA-N 1 0 342.395 3.205 20 5 EGBDRO Cc1ccc(NC(=O)N(CCC[NH3+])Cc2ccccc2)cc1[N+](=O)[O-] ZINC000414652648 309093705 /nfs/dbraw/zinc/09/37/05/309093705.db2.gz DQBLCRORDVMXNF-UHFFFAOYSA-N 1 0 342.399 3.286 20 5 EGBDRO C[C@@H](C[NH3+])N(C)Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000414665967 309094541 /nfs/dbraw/zinc/09/45/41/309094541.db2.gz VYLFSQAMXGNHHV-AWEZNQCLSA-N 1 0 328.416 3.142 20 5 EGBDRO CCCN(CC[NH+]1CCCC1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000298483363 308618384 /nfs/dbraw/zinc/61/83/84/308618384.db2.gz JGSFZMLGJMWJPL-UHFFFAOYSA-N 1 0 332.404 3.044 20 5 EGBDRO C[C@H](NC(=O)NCC[C@H](C)[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000298543136 308623484 /nfs/dbraw/zinc/62/34/84/308623484.db2.gz YTEPUAZEHCTJDK-GJZGRUSLSA-N 1 0 348.447 3.220 20 5 EGBDRO CC1CC[NH+](C[C@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000299452867 308675238 /nfs/dbraw/zinc/67/52/38/308675238.db2.gz AAGBYBFOOKWKOV-MRXNPFEDSA-N 1 0 345.443 3.179 20 5 EGBDRO O=C(CC[NH2+]C1(c2ccccc2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000299532154 308678188 /nfs/dbraw/zinc/67/81/88/308678188.db2.gz DSVQOFAIWCWPAO-UHFFFAOYSA-N 1 0 325.368 3.202 20 5 EGBDRO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])c2cccnc12)c1ccco1 ZINC000301064731 308686784 /nfs/dbraw/zinc/68/67/84/308686784.db2.gz GFBZEVHOEWATDX-HNNXBMFYSA-N 1 0 326.356 3.451 20 5 EGBDRO CC[C@H](CNc1ncc([N+](=O)[O-])cc1Br)[NH+]1CCCC1 ZINC000301510528 308703211 /nfs/dbraw/zinc/70/32/11/308703211.db2.gz CYQCEDYAMRJFLQ-SNVBAGLBSA-N 1 0 343.225 3.039 20 5 EGBDRO CC(C)[NH+]1CCN(c2cccc(Nc3ccc([N+](=O)[O-])cn3)c2)CC1 ZINC000301977861 308723817 /nfs/dbraw/zinc/72/38/17/308723817.db2.gz WQPIIAWCXYZFRH-UHFFFAOYSA-N 1 0 341.415 3.264 20 5 EGBDRO COc1ccc(-c2ccc(CN[C@@H](C[NH3+])CC(C)C)o2)c([N+](=O)[O-])c1 ZINC000414840644 309105027 /nfs/dbraw/zinc/10/50/27/309105027.db2.gz MPMGONNFNRZUBD-CYBMUJFWSA-N 1 0 347.415 3.326 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](CC(C)C)N2CCOCC2)cc1[N+](=O)[O-] ZINC000327296906 308771293 /nfs/dbraw/zinc/77/12/93/308771293.db2.gz LRGBLUCOMITATL-AEFFLSMTSA-N 1 0 349.475 3.301 20 5 EGBDRO C[C@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CCC[NH2+]C1 ZINC000414848299 309105294 /nfs/dbraw/zinc/10/52/94/309105294.db2.gz GKYDKSXXDAHRPJ-JSGCOSHPSA-N 1 0 346.456 3.196 20 5 EGBDRO O=[N+]([O-])c1ccc2ccnc(N3CCC([NH+]4CCCC4)CC3)c2c1 ZINC000413065236 309014381 /nfs/dbraw/zinc/01/43/81/309014381.db2.gz UKQWOSOPSKAYJV-UHFFFAOYSA-N 1 0 326.400 3.208 20 5 EGBDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ncc([N+](=O)[O-])cc1F ZINC000413180218 309019974 /nfs/dbraw/zinc/01/99/74/309019974.db2.gz YVFUQGXXNISVMC-HNNXBMFYSA-N 1 0 344.390 3.087 20 5 EGBDRO CC(C)C[N@@H+]1CC[C@H](CNc2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000413183221 309020074 /nfs/dbraw/zinc/02/00/74/309020074.db2.gz HXQBZXLCLSHCBS-LLVKDONJSA-N 1 0 346.353 3.398 20 5 EGBDRO C[N@@H+]1CCC[C@H](CCNc2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000413436198 309032047 /nfs/dbraw/zinc/03/20/47/309032047.db2.gz IFHCFGVLIIFTAZ-LLVKDONJSA-N 1 0 329.347 3.340 20 5 EGBDRO C[C@H](C[NH3+])C[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000414874124 309106769 /nfs/dbraw/zinc/10/67/69/309106769.db2.gz IDBJDJZXDFUQIR-GFCCVEGCSA-N 1 0 333.363 3.211 20 5 EGBDRO COc1ccc(-c2ccc(CN[C@@H]3CCC[NH2+][C@@H]3C)o2)c([N+](=O)[O-])c1 ZINC000414951543 309110863 /nfs/dbraw/zinc/11/08/63/309110863.db2.gz JFLVCBXJWINORN-MLGOLLRUSA-N 1 0 345.399 3.094 20 5 EGBDRO CN(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(C)(C)C[NH+]1CCCC1 ZINC000416334923 309169172 /nfs/dbraw/zinc/16/91/72/309169172.db2.gz SNOGSFLLHITNKQ-UHFFFAOYSA-N 1 0 339.823 3.195 20 5 EGBDRO COCCN1CCC([NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000417346301 309202490 /nfs/dbraw/zinc/20/24/90/309202490.db2.gz VSWGSWIUTHNZCC-IBGZPJMESA-N 1 0 347.459 3.063 20 5 EGBDRO CCCC[C@@H](C[NH3+])NC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000418443400 309246294 /nfs/dbraw/zinc/24/62/94/309246294.db2.gz KWNIFTRWOYGRKS-HOTGVXAUSA-N 1 0 348.447 3.001 20 5 EGBDRO C[C@@H](CCCC[NH3+])NC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000418714369 309254461 /nfs/dbraw/zinc/25/44/61/309254461.db2.gz XZALXWVLQODIMC-GOEBONIOSA-N 1 0 348.447 3.001 20 5 EGBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)CCCC[NH3+] ZINC000418713676 309254508 /nfs/dbraw/zinc/25/45/08/309254508.db2.gz XHSDJQRPZIYDED-AWEZNQCLSA-N 1 0 336.436 3.032 20 5 EGBDRO [NH3+][C@@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1c1ccccc1F ZINC000420389437 309285947 /nfs/dbraw/zinc/28/59/47/309285947.db2.gz OCISGLRKEUJESK-GOEBONIOSA-N 1 0 349.793 3.314 20 5 EGBDRO C[C@@H]1C[C@H](CO)C[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000421363510 309320409 /nfs/dbraw/zinc/32/04/09/309320409.db2.gz PROIHXHNIVYBQR-KGLIPLIRSA-N 1 0 330.384 3.305 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000421746952 309338160 /nfs/dbraw/zinc/33/81/60/309338160.db2.gz ASMKAPKLBSLHSS-DOMZBBRYSA-N 1 0 333.432 3.062 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000421746955 309338179 /nfs/dbraw/zinc/33/81/79/309338179.db2.gz ASMKAPKLBSLHSS-WFASDCNBSA-N 1 0 333.432 3.062 20 5 EGBDRO COC1([C@H](C)[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CCOCC1 ZINC000421866726 309344245 /nfs/dbraw/zinc/34/42/45/309344245.db2.gz NYRGFHXEQBGUJS-GUYCJALGSA-N 1 0 348.443 3.491 20 5 EGBDRO CCCN1C[C@H](C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1=O ZINC000421877349 309344728 /nfs/dbraw/zinc/34/47/28/309344728.db2.gz KPEYINHESZWTGS-SUMWQHHRSA-N 1 0 345.443 3.165 20 5 EGBDRO CCCN1C[C@@H](C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1=O ZINC000421891561 309345267 /nfs/dbraw/zinc/34/52/67/309345267.db2.gz VYKTWMRXJKYFSW-RDTXWAMCSA-N 1 0 345.443 3.210 20 5 EGBDRO C[C@@H](NC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000422989497 309379594 /nfs/dbraw/zinc/37/95/94/309379594.db2.gz LZIQBPMNRVJUMN-DYVFJYSZSA-N 1 0 341.411 3.498 20 5 EGBDRO CC[C@H](NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H]1CCC[NH2+]1 ZINC000423088682 309385285 /nfs/dbraw/zinc/38/52/85/309385285.db2.gz QRGFKBCWZANYNY-KBPBESRZSA-N 1 0 331.338 3.234 20 5 EGBDRO CCCN(C(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000423292551 309394230 /nfs/dbraw/zinc/39/42/30/309394230.db2.gz NIBIHVRXPGNZMM-UHFFFAOYSA-N 1 0 333.432 3.322 20 5 EGBDRO Cc1cccc(OC[C@H](O)C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])c1 ZINC000429257823 309575688 /nfs/dbraw/zinc/57/56/88/309575688.db2.gz FUCBCELCLQJTML-OAHLLOKOSA-N 1 0 344.411 3.168 20 5 EGBDRO CC(C)(C(=O)NCCC[NH+]1CCCCCC1)c1ccccc1[N+](=O)[O-] ZINC000429853321 309591493 /nfs/dbraw/zinc/59/14/93/309591493.db2.gz ZVOFUSGOPOIQRM-UHFFFAOYSA-N 1 0 347.459 3.255 20 5 EGBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000430737389 309616455 /nfs/dbraw/zinc/61/64/55/309616455.db2.gz WWQOIJBEWBYDBG-NWDGAFQWSA-N 1 0 341.358 3.337 20 5 EGBDRO CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000430824596 309618640 /nfs/dbraw/zinc/61/86/40/309618640.db2.gz QLYSYIJUYNWTDY-SJLPKXTDSA-N 1 0 347.459 3.154 20 5 EGBDRO COCCOCCCC[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433170720 309680524 /nfs/dbraw/zinc/68/05/24/309680524.db2.gz YYAYRYGSJKPOKL-KRWDZBQOSA-N 1 0 336.432 3.350 20 5 EGBDRO CN(CC[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)CC(F)(F)F ZINC000433172726 309680661 /nfs/dbraw/zinc/68/06/61/309680661.db2.gz DGOYIAHIVFGJDS-CQSZACIVSA-N 1 0 345.365 3.401 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2(CO)CC(c3ccccc3)C2)cc1 ZINC000433173936 309680745 /nfs/dbraw/zinc/68/07/45/309680745.db2.gz JNLXNTNKHNXYCM-UHFFFAOYSA-N 1 0 326.396 3.241 20 5 EGBDRO CC(C)(C)NC(=O)CC[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433282698 309684520 /nfs/dbraw/zinc/68/45/20/309684520.db2.gz ASASTTPCURBROK-HNNXBMFYSA-N 1 0 333.432 3.212 20 5 EGBDRO CC1(C)C[C@H]([NH2+]CCCOC2CCOCC2)c2cc([N+](=O)[O-])ccc21 ZINC000433288725 309684680 /nfs/dbraw/zinc/68/46/80/309684680.db2.gz RXEPFCNQBXCRRA-SFHVURJKSA-N 1 0 348.443 3.493 20 5 EGBDRO CCC1(CC)[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1OC ZINC000444697455 309926307 /nfs/dbraw/zinc/92/63/07/309926307.db2.gz KJXJYIMHVAGFRP-GJZGRUSLSA-N 1 0 332.404 3.154 20 5 EGBDRO CC[N@@H+]1CCCN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CC1 ZINC000448942910 310025047 /nfs/dbraw/zinc/02/50/47/310025047.db2.gz LUYYVAKXSIVFMZ-UHFFFAOYSA-N 1 0 332.429 3.250 20 5 EGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCc2[nH]c(=O)ccc21 ZINC000449068762 310034442 /nfs/dbraw/zinc/03/44/42/310034442.db2.gz CMKJVAGTNAJXHW-DOMZBBRYSA-N 1 0 327.384 3.294 20 5 EGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](c1ccsc1)N(C)C ZINC000449072958 310034982 /nfs/dbraw/zinc/03/49/82/310034982.db2.gz RBUCZMKCANSJTJ-DYVFJYSZSA-N 1 0 333.457 3.480 20 5 EGBDRO COCCOc1cccc(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000449091982 310036306 /nfs/dbraw/zinc/03/63/06/310036306.db2.gz SFXFTOGUDDASPG-OAHLLOKOSA-N 1 0 344.411 3.341 20 5 EGBDRO Cc1cn2c(n1)[C@@H](C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])CCC2 ZINC000449166083 310041741 /nfs/dbraw/zinc/04/17/41/310041741.db2.gz BSILXJUIGSJUHE-CZUORRHYSA-N 1 0 328.416 3.198 20 5 EGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC[C@H]1COc2ccccc2O1 ZINC000449183702 310042901 /nfs/dbraw/zinc/04/29/01/310042901.db2.gz DXFOFTXGKYUJCV-HOCLYGCPSA-N 1 0 342.395 3.346 20 5 EGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](c1ccccc1)N(C)C ZINC000449254227 310047770 /nfs/dbraw/zinc/04/77/70/310047770.db2.gz WUUPJXVSVIJITR-BEFAXECRSA-N 1 0 327.428 3.418 20 5 EGBDRO Cc1ccccc1C[C@H](CO)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449271846 310049154 /nfs/dbraw/zinc/04/91/54/310049154.db2.gz UWOHYEBDNITKGU-MAUKXSAKSA-N 1 0 328.412 3.027 20 5 EGBDRO CC[C@@H](CO)[N@H+](C)Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000449376742 310057533 /nfs/dbraw/zinc/05/75/33/310057533.db2.gz OXIMBPBDXOZHTP-LBPRGKRZSA-N 1 0 334.372 3.066 20 5 EGBDRO CO[C@@H](C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000449392997 310058475 /nfs/dbraw/zinc/05/84/75/310058475.db2.gz LJFMLCBRIMQQMG-JGZYNSJSSA-N 1 0 326.396 3.455 20 5 EGBDRO CC[C@@H](O)[C@H](CC)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000449637276 310076656 /nfs/dbraw/zinc/07/66/56/310076656.db2.gz GFRKKTSTUGGFEE-LSDHHAIUSA-N 1 0 335.429 3.357 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CC[C@H](CCCO)C2)o1 ZINC000449787877 310087463 /nfs/dbraw/zinc/08/74/63/310087463.db2.gz CABKZSMPBGXUNG-AWEZNQCLSA-N 1 0 330.384 3.449 20 5 EGBDRO CC1(C)CCC[N@@H+]1CCNc1ncc([N+](=O)[O-])cc1Br ZINC000450948928 310151693 /nfs/dbraw/zinc/15/16/93/310151693.db2.gz IETBNBXWJCTNPS-UHFFFAOYSA-N 1 0 343.225 3.039 20 5 EGBDRO C[C@H]([NH2+]CC(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000451098207 310160440 /nfs/dbraw/zinc/16/04/40/310160440.db2.gz GXGASWIYYXZTPI-WVZRYYJFSA-N 1 0 333.432 3.186 20 5 EGBDRO CC[C@@H]1CCCCN1C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000451099719 310160577 /nfs/dbraw/zinc/16/05/77/310160577.db2.gz NAHHXZBTQPQHTO-SQWLQELKSA-N 1 0 333.432 3.425 20 5 EGBDRO COC(=O)c1ccccc1OCC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000451101460 310160769 /nfs/dbraw/zinc/16/07/69/310160769.db2.gz CQZLPNZXVXHJKZ-ZDUSSCGKSA-N 1 0 344.367 3.111 20 5 EGBDRO CC(C)N(CC(F)(F)F)C(=O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000451108188 310161041 /nfs/dbraw/zinc/16/10/41/310161041.db2.gz WBXJUQORZKLKJQ-NSHDSACASA-N 1 0 347.337 3.045 20 5 EGBDRO CO[C@H]1C[C@H]([NH2+]Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1(C)C ZINC000451485893 310180686 /nfs/dbraw/zinc/18/06/86/310180686.db2.gz DFTWUIZAYFYLPZ-GJZGRUSLSA-N 1 0 331.372 3.153 20 5 EGBDRO CO[C@H]1C[C@H]([NH2+]CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1(C)C ZINC000451502018 310181556 /nfs/dbraw/zinc/18/15/56/310181556.db2.gz PGEABNSGYJIEPM-HOTGVXAUSA-N 1 0 345.399 3.195 20 5 EGBDRO CCO[C@H]1CC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H]1C ZINC000451545514 310184882 /nfs/dbraw/zinc/18/48/82/310184882.db2.gz RENIXRKYWUIRQH-GUYCJALGSA-N 1 0 345.399 3.497 20 5 EGBDRO O=C(CC[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)NC1CCCC1 ZINC000451550037 310185675 /nfs/dbraw/zinc/18/56/75/310185675.db2.gz QOMPEACTYKYNEQ-MRXNPFEDSA-N 1 0 345.443 3.223 20 5 EGBDRO CCO[C@@H]1CCCC[C@H]1[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000452038849 310209010 /nfs/dbraw/zinc/20/90/10/310209010.db2.gz YWARTBUKFRLILP-NVXWUHKLSA-N 1 0 349.431 3.169 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1 ZINC000452055976 310209594 /nfs/dbraw/zinc/20/95/94/310209594.db2.gz VNRHMLYSLDSYCW-NXEZDXNNSA-N 1 0 343.427 3.210 20 5 EGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)Cc1cnn(C)c1 ZINC000453364599 310273034 /nfs/dbraw/zinc/27/30/34/310273034.db2.gz VISCDWJRSFCZMY-ZFWWWQNUSA-N 1 0 348.472 3.420 20 5 EGBDRO CC[C@H]([NH2+][C@@H]1CCO[C@@H](c2nccn2C)C1)c1cccc([N+](=O)[O-])c1 ZINC000453416878 310275964 /nfs/dbraw/zinc/27/59/64/310275964.db2.gz ZMAJAYCFLXTQGM-HYVNUMGLSA-N 1 0 344.415 3.289 20 5 EGBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H](C1CC1)C1CCC1 ZINC000453429730 310276696 /nfs/dbraw/zinc/27/66/96/310276696.db2.gz PYXDOZOGLWDHLW-SGTLLEGYSA-N 1 0 331.416 3.480 20 5 EGBDRO C[C@@]1(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCC(=O)N1 ZINC000453592295 310283314 /nfs/dbraw/zinc/28/33/14/310283314.db2.gz SVBDKDQWDDMFBP-KRWDZBQOSA-N 1 0 345.424 3.082 20 5 EGBDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000454713955 310325301 /nfs/dbraw/zinc/32/53/01/310325301.db2.gz FMWSCFWEELXSII-WMLDXEAASA-N 1 0 348.447 3.075 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC(C)(C)CCC[NH+](C)C ZINC000455238032 310351613 /nfs/dbraw/zinc/35/16/13/310351613.db2.gz BCJJKOSVICQYJH-UHFFFAOYSA-N 1 0 336.436 3.454 20 5 EGBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@H+](CC)C[C@H]1CC ZINC000456341594 310399614 /nfs/dbraw/zinc/39/96/14/310399614.db2.gz BCVRNNUXUBUHMJ-DLBZAZTESA-N 1 0 347.459 3.106 20 5 EGBDRO CCO[C@@H]1C[C@@H]([NH2+]CCCCc2ccc([N+](=O)[O-])cc2)[C@@H]1SC ZINC000459435201 310552313 /nfs/dbraw/zinc/55/23/13/310552313.db2.gz WUJZMVONSMLJGA-ZACQAIPSSA-N 1 0 338.473 3.416 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCC[NH+]1CCCCCC1 ZINC000463965094 310616797 /nfs/dbraw/zinc/61/67/97/310616797.db2.gz DFCINDFFEWAZHH-UHFFFAOYSA-N 1 0 334.420 3.209 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CCOC2(CCOCC2)C1 ZINC000469117046 310699736 /nfs/dbraw/zinc/69/97/36/310699736.db2.gz WAFDJGMDDQTIEI-HKBKRHGFSA-N 1 0 346.427 3.316 20 5 EGBDRO CCC[NH+](CCC)CCCNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470138944 310717737 /nfs/dbraw/zinc/71/77/37/310717737.db2.gz VQGQVZMLYOICKV-UHFFFAOYSA-N 1 0 340.399 3.368 20 5 EGBDRO CC(C)c1ccc(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000473869927 310780836 /nfs/dbraw/zinc/78/08/36/310780836.db2.gz UZMDLHRUGHRYTQ-ZDUSSCGKSA-N 1 0 335.448 3.424 20 5 EGBDRO CC(C)C[C@H](C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)N(C)C ZINC000480532782 310896129 /nfs/dbraw/zinc/89/61/29/310896129.db2.gz ADVBLGVCEPYMMG-MSOLQXFVSA-N 1 0 333.476 3.482 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000487081291 311009922 /nfs/dbraw/zinc/00/99/22/311009922.db2.gz XWIKOGAYEXGZNK-INIZCTEOSA-N 1 0 334.420 3.016 20 5 EGBDRO CC[C@@H](NC(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000487425808 311022954 /nfs/dbraw/zinc/02/29/54/311022954.db2.gz CMVXQQYWRFJKGZ-IAGOWNOFSA-N 1 0 348.447 3.028 20 5 EGBDRO CCCC[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000492817599 311294783 /nfs/dbraw/zinc/29/47/83/311294783.db2.gz LGWNCBQUWLXWQQ-UWWQBHOKSA-N 1 0 336.432 3.283 20 5 EGBDRO C[NH+](C)Cc1ccccc1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000492912004 311306034 /nfs/dbraw/zinc/30/60/34/311306034.db2.gz NOQYUELVGFLQDA-FMIVXFBMSA-N 1 0 325.368 3.308 20 5 EGBDRO C[C@H](Nc1ccc([N+](=O)[O-])c(-c2ccccc2)n1)C1=CC[N@H+](C)CC1 ZINC000511378388 312159198 /nfs/dbraw/zinc/15/91/98/312159198.db2.gz MDPUWZKTYSTRMP-AWEZNQCLSA-N 1 0 338.411 3.141 20 5 EGBDRO CCC[C@]1([NH2+]Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CCOC1 ZINC000512286581 312181872 /nfs/dbraw/zinc/18/18/72/312181872.db2.gz PFZSIJBRKGVAGK-KRWDZBQOSA-N 1 0 331.372 3.299 20 5 EGBDRO CCc1ccc([C@H]([NH2+]C[C@@H](CO)C2CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000514975811 312257824 /nfs/dbraw/zinc/25/78/24/312257824.db2.gz IAJXOEVPLUQCTP-HNAYVOBHSA-N 1 0 344.411 3.448 20 5 EGBDRO COc1ccc2c(c1)CC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)CC2 ZINC000535547994 314052110 /nfs/dbraw/zinc/05/21/10/314052110.db2.gz LAYLASDXVQXSKI-UHFFFAOYSA-N 1 0 326.396 3.247 20 5 EGBDRO COc1ccc([C@@H](C)[NH2+]CC(=O)Nc2c(C)cccc2[N+](=O)[O-])cc1 ZINC000538130699 314228256 /nfs/dbraw/zinc/22/82/56/314228256.db2.gz JIWMFXKRONNAFM-CYBMUJFWSA-N 1 0 343.383 3.201 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000538277169 314237011 /nfs/dbraw/zinc/23/70/11/314237011.db2.gz XXMOZWYLFXGSMO-NZUILWFCSA-N 1 0 347.459 3.495 20 5 EGBDRO CCOc1ccc(NC(=O)C[NH2+][C@H](CC)C(C)(C)C)c([N+](=O)[O-])c1 ZINC000538390343 314243690 /nfs/dbraw/zinc/24/36/90/314243690.db2.gz QLUOHBKHUPPWLC-OAHLLOKOSA-N 1 0 337.420 3.346 20 5 EGBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)CCC(=O)N2 ZINC000540152972 314366356 /nfs/dbraw/zinc/36/63/56/314366356.db2.gz YBSIOFUSAAYWCH-ZDUSSCGKSA-N 1 0 339.395 3.373 20 5 EGBDRO Cc1ccn2cc(CNc3cc(C)[nH+]c4ccc([N+](=O)[O-])cc34)nc2c1 ZINC000541160161 314439266 /nfs/dbraw/zinc/43/92/66/314439266.db2.gz POBFTBXAHSCGPB-UHFFFAOYSA-N 1 0 347.378 3.442 20 5 EGBDRO Cn1ccc(CC[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)n1 ZINC000544842730 314720213 /nfs/dbraw/zinc/72/02/13/314720213.db2.gz PDQCMVDQYPNJRG-UHFFFAOYSA-N 1 0 342.424 3.389 20 5 EGBDRO Cc1cccc(C)c1[C@H](C)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000544897126 314723389 /nfs/dbraw/zinc/72/33/89/314723389.db2.gz FBFKODGKVHQXNQ-DOTOQJQBSA-N 1 0 344.411 3.302 20 5 EGBDRO O=[N+]([O-])c1c2cccnc2ccc1N1CCC[C@H]1C[NH+]1CCCC1 ZINC000547961641 314955288 /nfs/dbraw/zinc/95/52/88/314955288.db2.gz HKSITSHLZJMFFU-AWEZNQCLSA-N 1 0 326.400 3.208 20 5 EGBDRO CCC[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000548487986 315016115 /nfs/dbraw/zinc/01/61/15/315016115.db2.gz KQNNHIVZRGWGST-DZGCQCFKSA-N 1 0 349.431 3.490 20 5 EGBDRO C[C@H](C1CCCCC1)[N@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000549162274 315079226 /nfs/dbraw/zinc/07/92/26/315079226.db2.gz POSJCYRIPCSRIO-CQSZACIVSA-N 1 0 333.432 3.458 20 5 EGBDRO C[C@@H](C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Cn1cccn1 ZINC000549170243 315079715 /nfs/dbraw/zinc/07/97/15/315079715.db2.gz JXQVZAYMSPXRBN-AWEZNQCLSA-N 1 0 340.383 3.477 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC(C)(C)[C@H]2CCC[C@@H]21 ZINC000550062892 315114838 /nfs/dbraw/zinc/11/48/38/315114838.db2.gz YABOMGQKSHBQNR-HOCLYGCPSA-N 1 0 331.416 3.352 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CC2(CCOCC2)[C@H]1C1CC1 ZINC000552392494 315217767 /nfs/dbraw/zinc/21/77/67/315217767.db2.gz SIKSAWKOJQRIIA-LKIHTYOGSA-N 1 0 328.412 3.499 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](CO)Cc1ccc(F)cc1 ZINC000552923049 315237874 /nfs/dbraw/zinc/23/78/74/315237874.db2.gz FYLHTHZZFWUQGK-CZUORRHYSA-N 1 0 332.375 3.297 20 5 EGBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)c1 ZINC000555414416 315382827 /nfs/dbraw/zinc/38/28/27/315382827.db2.gz NYFWVGLRYLEWSG-VXGBXAGGSA-N 1 0 344.333 3.472 20 5 EGBDRO CCOc1cc(N2CC[NH+](CCCCCF)CC2)ccc1[N+](=O)[O-] ZINC000556536498 315441326 /nfs/dbraw/zinc/44/13/26/315441326.db2.gz VESAFBQHGNAIGB-UHFFFAOYSA-N 1 0 339.411 3.255 20 5 EGBDRO O=C(CC[NH2+]CC1(c2ccccc2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000558573445 315579897 /nfs/dbraw/zinc/57/98/97/315579897.db2.gz XKUAMVXGAOLWLG-UHFFFAOYSA-N 1 0 339.395 3.245 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCC1CC[NH+](CC)CC1 ZINC000564260191 316128812 /nfs/dbraw/zinc/12/88/12/316128812.db2.gz LXUWGLZMKHMBGM-UHFFFAOYSA-N 1 0 334.420 3.011 20 5 EGBDRO CCCC[N@H+](C)C[C@H](C)Nc1ncc([N+](=O)[O-])cc1Br ZINC000564606986 316174083 /nfs/dbraw/zinc/17/40/83/316174083.db2.gz WJMXKLNZYAOALF-JTQLQIEISA-N 1 0 345.241 3.285 20 5 EGBDRO Cc1c(F)cccc1NC(=O)CC[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000570202608 317021704 /nfs/dbraw/zinc/02/17/04/317021704.db2.gz QEXQTMOGQXPQEI-UHFFFAOYSA-N 1 0 345.374 3.469 20 5 EGBDRO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2cc3ccc(F)cc3[nH]2)cc1 ZINC000573153207 317444135 /nfs/dbraw/zinc/44/41/35/317444135.db2.gz KVVUOWXPWCROAA-UHFFFAOYSA-N 1 0 329.331 3.384 20 5 EGBDRO C[C@H]([NH2+][C@@H]1C[C@H](C)N(c2ccccc2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000178659538 323359364 /nfs/dbraw/zinc/35/93/64/323359364.db2.gz HBLINGFAPCDROC-SUNYJGFJSA-N 1 0 339.395 3.439 20 5 EGBDRO O=C(C[NH2+]C1(c2cccc(Cl)c2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000179668801 323399375 /nfs/dbraw/zinc/39/93/75/323399375.db2.gz WVWGRKWHHZMPNH-UHFFFAOYSA-N 1 0 345.786 3.466 20 5 EGBDRO C[C@@H]([NH2+]Cc1cnn(C)c1C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000180455907 323440477 /nfs/dbraw/zinc/44/04/77/323440477.db2.gz XPFRIPJVBUOOPX-SECBINFHSA-N 1 0 328.294 3.198 20 5 EGBDRO CC(C)C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccccc1 ZINC000181790829 323504295 /nfs/dbraw/zinc/50/42/95/323504295.db2.gz DDNWMBBFCWDTTL-QGZVFWFLSA-N 1 0 329.400 3.134 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+]C1[C@H](C)CCC[C@H]1C ZINC000182735218 323572950 /nfs/dbraw/zinc/57/29/50/323572950.db2.gz QOIOPGKBJBOVFY-CHWSQXEVSA-N 1 0 349.431 3.346 20 5 EGBDRO Cc1cc(NC(=O)NC[C@H](c2cccs2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000193542315 323838925 /nfs/dbraw/zinc/83/89/25/323838925.db2.gz BWCDZHODHNHLOH-CQSZACIVSA-N 1 0 348.428 3.389 20 5 EGBDRO Cc1cc(NC[C@@H](C)C[NH+](C)C)c(Br)cc1[N+](=O)[O-] ZINC000388698273 324277077 /nfs/dbraw/zinc/27/70/77/324277077.db2.gz GWPPMKYOBQZPTF-SECBINFHSA-N 1 0 330.226 3.275 20 5 EGBDRO CC(C)[N@H+](C)C[C@H](C)Nc1ccc([N+](=O)[O-])cc1Br ZINC000388943798 324277968 /nfs/dbraw/zinc/27/79/68/324277968.db2.gz YSMYKULBGOPXDV-JTQLQIEISA-N 1 0 330.226 3.498 20 5 EGBDRO C[C@@H](CC[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000578435489 324968585 /nfs/dbraw/zinc/96/85/85/324968585.db2.gz DNCIEFZYSLUGCX-MAUKXSAKSA-N 1 0 344.411 3.118 20 5 EGBDRO CCN(CCC[NH+](CC)CC)C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000578974346 325044272 /nfs/dbraw/zinc/04/42/72/325044272.db2.gz MOOIINZKHJODIG-HNNXBMFYSA-N 1 0 335.448 3.279 20 5 EGBDRO CC[N@@H+]1CC[C@@H](CN[C@@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)C1 ZINC000580956272 325313700 /nfs/dbraw/zinc/31/37/00/325313700.db2.gz PIAVYQAXTKBWEI-FZMZJTMJSA-N 1 0 331.338 3.130 20 5 EGBDRO COC(=O)C(C)(C)CC[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000581277850 325348282 /nfs/dbraw/zinc/34/82/82/325348282.db2.gz JUPNQWSGNBQFLB-ZBFHGGJFSA-N 1 0 348.443 3.485 20 5 EGBDRO CCOC(=O)[C@@]1(C(C)C)CC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000581350093 325353498 /nfs/dbraw/zinc/35/34/98/325353498.db2.gz GRNFJNUDVYEADR-SFHVURJKSA-N 1 0 334.416 3.314 20 5 EGBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000428507065 458158935 /nfs/dbraw/zinc/15/89/35/458158935.db2.gz OWGCHYDCNKTUHV-NSHDSACASA-N 1 0 327.812 3.098 20 5 EGBDRO O=[N+]([O-])c1ccc(OCCC[N@H+](Cc2cccnc2)C2CC2)cc1 ZINC000180750471 455238629 /nfs/dbraw/zinc/23/86/29/455238629.db2.gz WJTODTPMYYHFRI-UHFFFAOYSA-N 1 0 327.384 3.423 20 5 EGBDRO CNC(=O)c1cccc(CC[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000157847895 455240157 /nfs/dbraw/zinc/24/01/57/455240157.db2.gz QRYUCLKSIWJLQY-AWEZNQCLSA-N 1 0 341.411 3.156 20 5 EGBDRO CC[N@H+](CC1CC1)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000157917791 455248608 /nfs/dbraw/zinc/24/86/08/455248608.db2.gz VPSBDXGNUAMNQW-JTQLQIEISA-N 1 0 325.796 3.307 20 5 EGBDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000264634490 455252825 /nfs/dbraw/zinc/25/28/25/455252825.db2.gz DKTPCRBKCGLYPI-AWEZNQCLSA-N 1 0 333.432 3.225 20 5 EGBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(N(C)C)cc[nH+]1 ZINC000612346465 460600684 /nfs/dbraw/zinc/60/06/84/460600684.db2.gz UFPAEVHRTWNPTA-LLVKDONJSA-N 1 0 346.412 3.175 20 5 EGBDRO C[C@H](c1ccc(-c2ccc(F)cc2[N+](=O)[O-])cc1)N1CC[NH2+]CC1 ZINC000600790366 460606480 /nfs/dbraw/zinc/60/64/80/460606480.db2.gz QHDIZMYAMSSXGP-CYBMUJFWSA-N 1 0 329.375 3.367 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](CCC(C)C)C1CC1 ZINC000027111010 453811054 /nfs/dbraw/zinc/81/10/54/453811054.db2.gz HBFHMAZCNHTXSX-UHFFFAOYSA-N 1 0 349.431 3.443 20 5 EGBDRO CC(C)[N@@H+](Cc1ccccc1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000027234271 453813252 /nfs/dbraw/zinc/81/32/52/453813252.db2.gz HTJUTXHDNKCFTO-SFHVURJKSA-N 1 0 344.411 3.245 20 5 EGBDRO CCOc1ccc(NC(=O)C[N@H+](C)CC2CCCCC2)c([N+](=O)[O-])c1 ZINC000029523560 453829537 /nfs/dbraw/zinc/82/95/37/453829537.db2.gz UQJBYFZGTCNIKS-UHFFFAOYSA-N 1 0 349.431 3.444 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]([C@H](C)C1CC1)C1CC1 ZINC000029725909 453830978 /nfs/dbraw/zinc/83/09/78/453830978.db2.gz VSEIZVCNAZCXBO-GFCCVEGCSA-N 1 0 347.415 3.195 20 5 EGBDRO CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H]1COc2ccccc2O1 ZINC000031173148 453840784 /nfs/dbraw/zinc/84/07/84/453840784.db2.gz HANUWHFSUNJQJS-MRXNPFEDSA-N 1 0 328.368 3.257 20 5 EGBDRO CC[NH+](CC)Cc1ccc(C(=O)NCCc2ccc([N+](=O)[O-])cc2)o1 ZINC000053218197 453865889 /nfs/dbraw/zinc/86/58/89/453865889.db2.gz MRZKGPNOJIANJF-UHFFFAOYSA-N 1 0 345.399 3.002 20 5 EGBDRO Cc1ccc(C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000053404495 453877174 /nfs/dbraw/zinc/87/71/74/453877174.db2.gz PWMZXNUMYWCUHO-CYBMUJFWSA-N 1 0 333.432 3.144 20 5 EGBDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000081533655 453883644 /nfs/dbraw/zinc/88/36/44/453883644.db2.gz MXVMJFXCKMPBPP-IBGZPJMESA-N 1 0 325.412 3.301 20 5 EGBDRO C[C@@H]1C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000081575096 453890517 /nfs/dbraw/zinc/89/05/17/453890517.db2.gz JVRAAKCNCNOJBI-LJHODMEESA-N 1 0 342.395 3.028 20 5 EGBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](CCc3ccccc3)CC2)cn1 ZINC000075669874 453915682 /nfs/dbraw/zinc/91/56/82/453915682.db2.gz YLLNBYAWEGAUDX-UHFFFAOYSA-N 1 0 326.400 3.109 20 5 EGBDRO CO[C@@]1(C)C[C@H]([N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)C1(C)C ZINC000083216358 453944362 /nfs/dbraw/zinc/94/43/62/453944362.db2.gz SSUZIJAILMWOJY-YOEHRIQHSA-N 1 0 333.388 3.371 20 5 EGBDRO Cc1cc(C(=O)Nc2ccc(CC[NH+](C)C)cc2)ccc1[N+](=O)[O-] ZINC000076169688 453974417 /nfs/dbraw/zinc/97/44/17/453974417.db2.gz ZVLFOJLTMRKBNB-UHFFFAOYSA-N 1 0 327.384 3.260 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)Cc1cccs1 ZINC000041887674 453982824 /nfs/dbraw/zinc/98/28/24/453982824.db2.gz BXPJOHNPZIMRFA-UHFFFAOYSA-N 1 0 333.413 3.425 20 5 EGBDRO O=C(Nc1cccc(C[NH+]2CCCCC2)c1)c1cc([N+](=O)[O-])c[nH]1 ZINC000042057741 453991911 /nfs/dbraw/zinc/99/19/11/453991911.db2.gz BLBXREDDTZXBOG-UHFFFAOYSA-N 1 0 328.372 3.161 20 5 EGBDRO O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)c1ccc([N+](=O)[O-])o1 ZINC000056042003 454034772 /nfs/dbraw/zinc/03/47/72/454034772.db2.gz KZPVVRGHYFQYOD-UHFFFAOYSA-N 1 0 343.383 3.469 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000085620990 454035663 /nfs/dbraw/zinc/03/56/63/454035663.db2.gz SNILZQSYRSPTOJ-AWEZNQCLSA-N 1 0 348.447 3.454 20 5 EGBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000085635990 454036031 /nfs/dbraw/zinc/03/60/31/454036031.db2.gz PEYPTBXCZJFEOT-AWEZNQCLSA-N 1 0 334.420 3.017 20 5 EGBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(Cl)cn1)c1cccc([N+](=O)[O-])c1 ZINC000056196840 454043652 /nfs/dbraw/zinc/04/36/52/454043652.db2.gz NDCXYKJECVNTHJ-MNOVXSKESA-N 1 0 348.790 3.321 20 5 EGBDRO Cc1c(NC(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000043346167 454057495 /nfs/dbraw/zinc/05/74/95/454057495.db2.gz TWPLLDHTDAOPTH-STQMWFEESA-N 1 0 334.420 3.145 20 5 EGBDRO Cc1c(NC(=O)NC[C@@H](c2cccs2)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000043348084 454057501 /nfs/dbraw/zinc/05/75/01/454057501.db2.gz BNBKOFGQFLCMIL-AWEZNQCLSA-N 1 0 348.428 3.389 20 5 EGBDRO C[C@@H](O)C[C@H](C)C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000077428735 454105727 /nfs/dbraw/zinc/10/57/27/454105727.db2.gz WIWOHAHQUHFSEU-NWDGAFQWSA-N 1 0 335.429 3.215 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(N2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c1 ZINC000088718411 454117269 /nfs/dbraw/zinc/11/72/69/454117269.db2.gz OAQDHRIXBKGXQC-HOTGVXAUSA-N 1 0 347.459 3.229 20 5 EGBDRO Cc1nc2c(s1)[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)CCC2 ZINC000089580699 454163463 /nfs/dbraw/zinc/16/34/63/454163463.db2.gz NTRZUZPWZNZZEI-AWEZNQCLSA-N 1 0 333.413 3.406 20 5 EGBDRO CC(C)(C)[N@@H+]1CCCN(C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000058272766 454177120 /nfs/dbraw/zinc/17/71/20/454177120.db2.gz SKNGYBJBAPNLNZ-SOFGYWHQSA-N 1 0 349.406 3.080 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[C@@H](CO)CC1 ZINC000130498971 454201621 /nfs/dbraw/zinc/20/16/21/454201621.db2.gz UNBAMJXZVSNLPK-LAQRGFTBSA-N 1 0 332.444 3.447 20 5 EGBDRO CC(C)[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CCC1 ZINC000119762126 454217727 /nfs/dbraw/zinc/21/77/27/454217727.db2.gz NPDONLFUHQKBPN-UHFFFAOYSA-N 1 0 325.796 3.450 20 5 EGBDRO COc1cc(C[N@H+](C)[C@H]2CCSC2)c([N+](=O)[O-])cc1OC(F)F ZINC000089936364 454240083 /nfs/dbraw/zinc/24/00/83/454240083.db2.gz QINRBKMHZOBBDF-JTQLQIEISA-N 1 0 348.371 3.142 20 5 EGBDRO Cc1ccccc1OCC[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000058932495 454245663 /nfs/dbraw/zinc/24/56/63/454245663.db2.gz QTISJSUERCEQPX-UHFFFAOYSA-N 1 0 330.384 3.293 20 5 EGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[NH+](CC2CC2)CC1 ZINC000059394077 454259116 /nfs/dbraw/zinc/25/91/16/454259116.db2.gz XOIBGPGJVCKTGD-UHFFFAOYSA-N 1 0 329.322 3.146 20 5 EGBDRO Cc1cc(C(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000059890541 454264019 /nfs/dbraw/zinc/26/40/19/454264019.db2.gz CTBVRDMEXGLYPY-FZKQIMNGSA-N 1 0 333.432 3.144 20 5 EGBDRO Cc1ccnc(N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000078506566 454266647 /nfs/dbraw/zinc/26/66/47/454266647.db2.gz SQWZSEDQTGMWHG-INIZCTEOSA-N 1 0 326.400 3.009 20 5 EGBDRO O=C(Nc1cccc([N+](=O)[O-])c1)c1cccc(C[NH+]2CCCC2)c1 ZINC000060551348 454300172 /nfs/dbraw/zinc/30/01/72/454300172.db2.gz KLGASZFWSQPPLM-UHFFFAOYSA-N 1 0 325.368 3.443 20 5 EGBDRO Cc1ccc(C)c([C@H]2CCC[N@@H+]2CCn2cc([N+](=O)[O-])ccc2=O)c1 ZINC000090552447 454320955 /nfs/dbraw/zinc/32/09/55/454320955.db2.gz HESUYMZYGFPLFH-GOSISDBHSA-N 1 0 341.411 3.210 20 5 EGBDRO Cc1cc(C(=O)NCCCC[N@H+]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000047187638 454337651 /nfs/dbraw/zinc/33/76/51/454337651.db2.gz IGFMLAVSWDTTHV-OAHLLOKOSA-N 1 0 333.432 3.288 20 5 EGBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(c2nc3sccn3c2[N+](=O)[O-])C1 ZINC000047253487 454347138 /nfs/dbraw/zinc/34/71/38/454347138.db2.gz PINIYVXDKMVSKU-FRRDWIJNSA-N 1 0 349.460 3.146 20 5 EGBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 ZINC000090910026 454350405 /nfs/dbraw/zinc/35/04/05/454350405.db2.gz IBZBRZIFUXHLFX-ZDUSSCGKSA-N 1 0 328.368 3.259 20 5 EGBDRO CC(C)(C)CNC(=O)C(C)(C)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000121109042 454393162 /nfs/dbraw/zinc/39/31/62/454393162.db2.gz MFTASPFBQGUQEZ-CSKARUKUSA-N 1 0 333.432 3.139 20 5 EGBDRO C[N@@H+]1CCC[C@H]2CN(c3ccc4ncccc4c3[N+](=O)[O-])CC[C@@H]21 ZINC000133628629 454447565 /nfs/dbraw/zinc/44/75/65/454447565.db2.gz NFCXDRRWCWAJLB-BBRMVZONSA-N 1 0 326.400 3.064 20 5 EGBDRO Cc1ccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c(C)n1 ZINC000121561795 454452278 /nfs/dbraw/zinc/45/22/78/454452278.db2.gz JQMVQXDMBDLWIM-UHFFFAOYSA-N 1 0 340.383 3.459 20 5 EGBDRO CC(C)[N@H+](C)CC1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000064381790 454478522 /nfs/dbraw/zinc/47/85/22/454478522.db2.gz HAYDLTPTLMDASO-CMDGGOBGSA-N 1 0 345.443 3.187 20 5 EGBDRO C[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C[C@@H]1CCC[C@@H]1O ZINC000091899288 454486898 /nfs/dbraw/zinc/48/68/98/454486898.db2.gz PTZXWSPVZCAHHW-GUYCJALGSA-N 1 0 330.384 3.448 20 5 EGBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000064726133 454501023 /nfs/dbraw/zinc/50/10/23/454501023.db2.gz ONXGOHMXZHOMBC-XQQFMLRXSA-N 1 0 337.445 3.134 20 5 EGBDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000134229105 454518726 /nfs/dbraw/zinc/51/87/26/454518726.db2.gz ZAIXFSZHVHPWMB-CQSZACIVSA-N 1 0 337.395 3.118 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H]1C1CCC1 ZINC000102926945 454526761 /nfs/dbraw/zinc/52/67/61/454526761.db2.gz GKPYOZHCNRWSJE-KRWDZBQOSA-N 1 0 331.416 3.496 20 5 EGBDRO Cc1cc(Br)cc([N+](=O)[O-])c1OCCC1CC[NH2+]CC1 ZINC000134495090 454550287 /nfs/dbraw/zinc/55/02/87/454550287.db2.gz OPLBIXCQSXJKRP-UHFFFAOYSA-N 1 0 343.221 3.434 20 5 EGBDRO CC[NH+](CC)[C@@H](C(=O)NCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000104040111 454572962 /nfs/dbraw/zinc/57/29/62/454572962.db2.gz AWGNUIUVEGKIQG-GOSISDBHSA-N 1 0 341.411 3.294 20 5 EGBDRO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000134647881 454574182 /nfs/dbraw/zinc/57/41/82/454574182.db2.gz JGTATBXJVWRLDU-DZGCQCFKSA-N 1 0 349.431 3.472 20 5 EGBDRO O=[N+]([O-])c1cccc(C[NH2+]CCOc2ncccc2C(F)(F)F)c1 ZINC000122886716 454578640 /nfs/dbraw/zinc/57/86/40/454578640.db2.gz VUQUMSQIEGQEHU-UHFFFAOYSA-N 1 0 341.289 3.177 20 5 EGBDRO C[C@H](CNc1ccc([N+](=O)[O-])c(OC(F)F)c1)C[NH+]1CCCC1 ZINC000092612776 454594457 /nfs/dbraw/zinc/59/44/57/454594457.db2.gz CKMNTTUEVIHDDH-LLVKDONJSA-N 1 0 329.347 3.340 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCC[N@@H+]3CCC[C@@H]3C2)cc1C(F)(F)F ZINC000080608146 454605770 /nfs/dbraw/zinc/60/57/70/454605770.db2.gz XNTSATQMLGFIGA-GFCCVEGCSA-N 1 0 329.322 3.288 20 5 EGBDRO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000051050854 454606291 /nfs/dbraw/zinc/60/62/91/454606291.db2.gz ZQXRWLBCRJQTDQ-GOEBONIOSA-N 1 0 333.432 3.112 20 5 EGBDRO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000051056901 454607336 /nfs/dbraw/zinc/60/73/36/454607336.db2.gz VGSSTBXDWHXDLF-HOCLYGCPSA-N 1 0 333.432 3.112 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+](CCCO)Cc1ccccc1 ZINC000093102056 454681570 /nfs/dbraw/zinc/68/15/70/454681570.db2.gz KTOBZBACBXONTJ-IZZDOVSWSA-N 1 0 326.396 3.493 20 5 EGBDRO C[C@H]([NH2+]C[C@H]1CCN(CC(F)(F)F)C1)c1cccc([N+](=O)[O-])c1 ZINC000124244099 454708823 /nfs/dbraw/zinc/70/88/23/454708823.db2.gz DSVCGWZHLXSSRR-NWDGAFQWSA-N 1 0 331.338 3.130 20 5 EGBDRO CC[C@@H]([NH2+]C[C@H](O)COc1cccc(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000152921689 454741709 /nfs/dbraw/zinc/74/17/09/454741709.db2.gz OEBGUSBLUJVGAL-PKOBYXMFSA-N 1 0 344.411 3.384 20 5 EGBDRO CC[C@H](NC(=O)N1CCC([NH2+]C(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000176692413 454772025 /nfs/dbraw/zinc/77/20/25/454772025.db2.gz PLQFDTRWHLZLQR-KRWDZBQOSA-N 1 0 348.447 3.218 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+](CCO)C3CC3)o2)c(Cl)c1 ZINC000153590068 454810253 /nfs/dbraw/zinc/81/02/53/454810253.db2.gz XGKMPWYAYCLEPV-UHFFFAOYSA-N 1 0 336.775 3.465 20 5 EGBDRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000177055439 454816489 /nfs/dbraw/zinc/81/64/89/454816489.db2.gz QYKCGLHHTFZBHP-RISCZKNCSA-N 1 0 347.440 3.268 20 5 EGBDRO CCOc1ccc([C@@H](C)[NH2+]CCc2c(C)noc2C)cc1[N+](=O)[O-] ZINC000153679890 454820374 /nfs/dbraw/zinc/82/03/74/454820374.db2.gz FUNUYRISWSZIBZ-LLVKDONJSA-N 1 0 333.388 3.492 20 5 EGBDRO CC[C@H](NC(=O)NC1CC[NH+](C(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000175555277 455462869 /nfs/dbraw/zinc/46/28/69/455462869.db2.gz WNGKXLMPYMFSTB-KRWDZBQOSA-N 1 0 348.447 3.218 20 5 EGBDRO O=C(Cc1ccccc1[N+](=O)[O-])NC1CC[NH+](C2CCCCC2)CC1 ZINC000177233267 454840269 /nfs/dbraw/zinc/84/02/69/454840269.db2.gz YWDILNKTCYLCGV-UHFFFAOYSA-N 1 0 345.443 3.051 20 5 EGBDRO C[C@@H](CCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000182225893 455465841 /nfs/dbraw/zinc/46/58/41/455465841.db2.gz FDLSNWYMXQACSG-LBPRGKRZSA-N 1 0 339.823 3.243 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[NH+]2CCC(OC[C@H]3CCCCO3)CC2)cc1 ZINC000177581622 454880424 /nfs/dbraw/zinc/88/04/24/454880424.db2.gz NXLMHXDZDIBVCS-LJQANCHMSA-N 1 0 348.443 3.187 20 5 EGBDRO C[C@@H]1CCC[C@H](C)N(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000150780201 454891530 /nfs/dbraw/zinc/89/15/30/454891530.db2.gz IVOVQEBODNCZRL-KGLIPLIRSA-N 1 0 342.399 3.431 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3cccc4cccnc43)C2)nc1 ZINC000112655292 454894592 /nfs/dbraw/zinc/89/45/92/454894592.db2.gz DBXOIJAZNSMRGO-INIZCTEOSA-N 1 0 349.394 3.224 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H](c2ccccc2)c2ccccn2)c1 ZINC000154477768 454900845 /nfs/dbraw/zinc/90/08/45/454900845.db2.gz DNDOONGGQGWURY-UXHICEINSA-N 1 0 349.390 3.402 20 5 EGBDRO CC[C@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000177813980 454909552 /nfs/dbraw/zinc/90/95/52/454909552.db2.gz PFNPICJVPOIOCL-YOEHRIQHSA-N 1 0 333.432 3.427 20 5 EGBDRO COc1cc(C[N@@H+]2CC[C@H](C)[C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000177904982 454917708 /nfs/dbraw/zinc/91/77/08/454917708.db2.gz TVGLADWKRFNWRU-VHSXEESVSA-N 1 0 330.331 3.435 20 5 EGBDRO CCOc1ncccc1C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000151176779 454947542 /nfs/dbraw/zinc/94/75/42/454947542.db2.gz UFLHKKZEGMVPFE-KRWDZBQOSA-N 1 0 341.411 3.499 20 5 EGBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C2(c3ccccc3)CCC2)c1 ZINC000170907241 454997602 /nfs/dbraw/zinc/99/76/02/454997602.db2.gz IEHXFIVISYJGPB-QGZVFWFLSA-N 1 0 342.395 3.004 20 5 EGBDRO C[C@@H]1C[C@H](C)CC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000127809877 455000432 /nfs/dbraw/zinc/00/04/32/455000432.db2.gz VWLLKMYMHXJSNC-ZIAGYGMSSA-N 1 0 347.415 3.261 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@@H](C)c1ccccn1 ZINC000127914375 455009311 /nfs/dbraw/zinc/00/93/11/455009311.db2.gz JBIRVKLFPNAVDC-AWEZNQCLSA-N 1 0 342.399 3.320 20 5 EGBDRO CCOc1ccc(NC(=O)C[NH+](CC2CC2)CC2CC2)c([N+](=O)[O-])c1 ZINC000115565027 455021401 /nfs/dbraw/zinc/02/14/01/455021401.db2.gz XRWPYNILXBVFFM-UHFFFAOYSA-N 1 0 347.415 3.054 20 5 EGBDRO C[C@@H](C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Cn1ccnc1 ZINC000171051844 455021913 /nfs/dbraw/zinc/02/19/13/455021913.db2.gz DWRIKVJSAJFTER-AWEZNQCLSA-N 1 0 340.383 3.477 20 5 EGBDRO CCC1(CO)CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)CC1 ZINC000128251892 455039607 /nfs/dbraw/zinc/03/96/07/455039607.db2.gz PMNQNWYSGRSLBN-UHFFFAOYSA-N 1 0 336.432 3.367 20 5 EGBDRO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)cc1 ZINC000151927086 455049795 /nfs/dbraw/zinc/04/97/95/455049795.db2.gz QJVHCBQIECMJTM-WBVHZDCISA-N 1 0 346.383 3.155 20 5 EGBDRO C[NH+](C)C[C@H]1CCN(C(=O)c2cc3ccccc3c3cccnc23)C1 ZINC000172029845 455110657 /nfs/dbraw/zinc/11/06/57/455110657.db2.gz LOSMYKGYAGXFQV-OAHLLOKOSA-N 1 0 333.435 3.412 20 5 EGBDRO COCc1cc([N+](=O)[O-])ccc1N1CC[NH+](C2CCCCC2)CC1 ZINC000152435350 455118815 /nfs/dbraw/zinc/11/88/15/455118815.db2.gz FECAUBOSDOMQOP-UHFFFAOYSA-N 1 0 333.432 3.196 20 5 EGBDRO C[C@H](NC(=O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000180442675 455171072 /nfs/dbraw/zinc/17/10/72/455171072.db2.gz ZZMCATASSQKZEB-RYUDHWBXSA-N 1 0 333.413 3.184 20 5 EGBDRO COc1ccc(OCC[N@H+](C)Cc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000190196688 455287798 /nfs/dbraw/zinc/28/77/98/455287798.db2.gz YMWLSMFZJATTIQ-UHFFFAOYSA-N 1 0 334.347 3.253 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@](C)(O)c1cccs1 ZINC000265757759 455375134 /nfs/dbraw/zinc/37/51/34/455375134.db2.gz JGHGNCQTZDLKTO-MRXNPFEDSA-N 1 0 336.413 3.052 20 5 EGBDRO C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1nc(-c2ccccc2)cs1 ZINC000184519539 455395805 /nfs/dbraw/zinc/39/58/05/455395805.db2.gz HILUFMNLWDULHI-GFCCVEGCSA-N 1 0 343.412 3.266 20 5 EGBDRO CCCN(CCC[NH+](C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000190951903 455413296 /nfs/dbraw/zinc/41/32/96/455413296.db2.gz MIZPKIOZYGYTIL-UHFFFAOYSA-N 1 0 342.827 3.444 20 5 EGBDRO C[NH+]1CCC(Oc2ccc(NCc3csc([N+](=O)[O-])c3)cn2)CC1 ZINC000160079669 455425754 /nfs/dbraw/zinc/42/57/54/455425754.db2.gz NVUPEHWZJMCGSU-UHFFFAOYSA-N 1 0 348.428 3.136 20 5 EGBDRO Cc1c(C(=O)N[C@@H](C)C[N@H+](C)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000182089071 455432527 /nfs/dbraw/zinc/43/25/27/455432527.db2.gz QHJNNWLANJMNFH-AWEZNQCLSA-N 1 0 341.411 3.154 20 5 EGBDRO C[C@@H](c1cccc(F)c1)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000246134586 455433968 /nfs/dbraw/zinc/43/39/68/455433968.db2.gz JNSVTQYOFWDMGD-SWLSCSKDSA-N 1 0 330.363 3.376 20 5 EGBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC[C@H]1C[NH+](C)C ZINC000184756758 455442861 /nfs/dbraw/zinc/44/28/61/455442861.db2.gz NHZWUVIORSEYOT-WMZOPIPTSA-N 1 0 347.459 3.106 20 5 EGBDRO CCCC[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(OC)cc1 ZINC000182139336 455444882 /nfs/dbraw/zinc/44/48/82/455444882.db2.gz JFHJNFQMIRDCFU-QGZVFWFLSA-N 1 0 332.404 3.321 20 5 EGBDRO C[C@H]([NH2+][C@@H](CO)Cc1c[nH]c2ccccc12)c1cccc([N+](=O)[O-])c1 ZINC000266758025 455448644 /nfs/dbraw/zinc/44/86/44/455448644.db2.gz FMOWRKBARZWZAX-XJKSGUPXSA-N 1 0 339.395 3.330 20 5 EGBDRO C[C@@H](c1ccc(F)cc1)[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182199261 455459787 /nfs/dbraw/zinc/45/97/87/455459787.db2.gz KMVAIAXBMYNGEP-BBRMVZONSA-N 1 0 348.374 3.167 20 5 EGBDRO Cc1cccc([C@@H](C)[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])c1C ZINC000182425964 455511614 /nfs/dbraw/zinc/51/16/14/455511614.db2.gz BANCHPRQEWRSOB-CVEARBPZSA-N 1 0 344.411 3.302 20 5 EGBDRO CCCC[C@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000191828764 455523987 /nfs/dbraw/zinc/52/39/87/455523987.db2.gz CAWMPQYYTLRYOG-DZGCQCFKSA-N 1 0 349.431 3.490 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCS[C@H](C)CC1 ZINC000192183693 455569603 /nfs/dbraw/zinc/56/96/03/455569603.db2.gz BYIZIFWSVNNXHE-CYBMUJFWSA-N 1 0 337.445 3.059 20 5 EGBDRO CC[C@H]1[C@@H](C)CC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000185678922 455594523 /nfs/dbraw/zinc/59/45/23/455594523.db2.gz LSUIXBYSWFFZKE-WFASDCNBSA-N 1 0 335.404 3.052 20 5 EGBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@H](c1nnc[nH]1)C1CCCCC1 ZINC000292281584 455618094 /nfs/dbraw/zinc/61/80/94/455618094.db2.gz UTYPMNSJTYCUAA-INIZCTEOSA-N 1 0 329.404 3.167 20 5 EGBDRO C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000271424916 455631751 /nfs/dbraw/zinc/63/17/51/455631751.db2.gz CKFWBYKXJJAVQH-OLZOCXBDSA-N 1 0 337.420 3.376 20 5 EGBDRO CN(C(=O)C[NH2+][C@H](c1ccccc1)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000192513392 455634620 /nfs/dbraw/zinc/63/46/20/455634620.db2.gz HHYWLUSLUSSGIK-LJQANCHMSA-N 1 0 339.395 3.299 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)[C@H]1OCCc2sccc21 ZINC000292364002 455642010 /nfs/dbraw/zinc/64/20/10/455642010.db2.gz IJKGLEIMRMQJPK-PIGZYNQJSA-N 1 0 348.424 3.457 20 5 EGBDRO CN(C)[C@@H](C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccco1 ZINC000192598435 455649809 /nfs/dbraw/zinc/64/98/09/455649809.db2.gz LXBHLIPRZZDOJU-SJORKVTESA-N 1 0 329.400 3.458 20 5 EGBDRO COc1ccc(NC(=O)C[N@H+](C)[C@H]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000192622810 455656113 /nfs/dbraw/zinc/65/61/13/455656113.db2.gz PLQGTCRBDGPDKG-WFASDCNBSA-N 1 0 335.404 3.052 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H](O)c1ccc(F)cc1)CCC2 ZINC000192637325 455658452 /nfs/dbraw/zinc/65/84/52/455658452.db2.gz BBMOUNRPOLVFEP-MSOLQXFVSA-N 1 0 330.359 3.435 20 5 EGBDRO COCc1cc([N+](=O)[O-])ccc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000292460512 455669212 /nfs/dbraw/zinc/66/92/12/455669212.db2.gz ZYSYFRFUXLVFHY-CQSZACIVSA-N 1 0 333.432 3.052 20 5 EGBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cnc(C(C)(C)C)nc1 ZINC000284441919 455686491 /nfs/dbraw/zinc/68/64/91/455686491.db2.gz SVKHATQUAVELCR-UHFFFAOYSA-N 1 0 328.416 3.357 20 5 EGBDRO COc1cccc([C@@H](CNc2ccc([N+](=O)[O-])c(C)n2)[NH+](C)C)c1 ZINC000268507054 455701963 /nfs/dbraw/zinc/70/19/63/455701963.db2.gz RHEOODQLRIRXKD-MRXNPFEDSA-N 1 0 330.388 3.022 20 5 EGBDRO C[C@H](c1ccccc1)[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248374729 455708517 /nfs/dbraw/zinc/70/85/17/455708517.db2.gz SVDMQRWWHJYDCT-GDBMZVCRSA-N 1 0 330.384 3.028 20 5 EGBDRO C[C@@H](c1cccs1)[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248374289 455708834 /nfs/dbraw/zinc/70/88/34/455708834.db2.gz PDMGTAMGFGKNCL-QWHCGFSZSA-N 1 0 336.413 3.089 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1ccc2c(c1)COC2 ZINC000268945886 455738786 /nfs/dbraw/zinc/73/87/86/455738786.db2.gz WLZWCQNWXICNDL-GFCCVEGCSA-N 1 0 328.368 3.484 20 5 EGBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@H]2CCOC3(CCC3)C2)c1 ZINC000268951954 455741710 /nfs/dbraw/zinc/74/17/10/455741710.db2.gz DQUBQZYYQLLJKV-LBPRGKRZSA-N 1 0 342.342 3.388 20 5 EGBDRO Cc1ccc(NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c([N+](=O)[O-])c1 ZINC000268953782 455742479 /nfs/dbraw/zinc/74/24/79/455742479.db2.gz JBABCLGULVZUOU-AEFFLSMTSA-N 1 0 333.432 3.083 20 5 EGBDRO CCS[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000284821318 455747336 /nfs/dbraw/zinc/74/73/36/455747336.db2.gz ABKIKSXWWJBBBB-GXTWGEPZSA-N 1 0 325.390 3.267 20 5 EGBDRO Cc1ccc([C@@H](O)C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)o1 ZINC000268973566 455750338 /nfs/dbraw/zinc/75/03/38/455750338.db2.gz IPBZVFJHMLZZTF-WBVHZDCISA-N 1 0 330.384 3.141 20 5 EGBDRO CCOCCC[N@@H+]1CC[C@@H](NCc2cccc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000249459034 455756382 /nfs/dbraw/zinc/75/63/82/455756382.db2.gz QFSXZIROJOVLEI-MAUKXSAKSA-N 1 0 349.475 3.130 20 5 EGBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H](O)c1ccc(F)cc1F ZINC000285242347 455811634 /nfs/dbraw/zinc/81/16/34/455811634.db2.gz GRBKBXYBYKUDDD-QGZVFWFLSA-N 1 0 336.338 3.081 20 5 EGBDRO C[C@@H]1COCC[C@@H]1C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000285462387 455850042 /nfs/dbraw/zinc/85/00/42/455850042.db2.gz JWSRNYANPNBRIJ-TZMCWYRMSA-N 1 0 347.440 3.481 20 5 EGBDRO CC1(C)CC[C@@H](C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)O1 ZINC000187097517 455869943 /nfs/dbraw/zinc/86/99/43/455869943.db2.gz AWVXTMDVXJEHSI-KRWDZBQOSA-N 1 0 334.416 3.396 20 5 EGBDRO COc1cc2c(cc1OC)[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])CC2 ZINC000280022360 455881387 /nfs/dbraw/zinc/88/13/87/455881387.db2.gz HNMKXBSGRZHJQN-MRXNPFEDSA-N 1 0 342.395 3.432 20 5 EGBDRO O=[N+]([O-])c1cc(C[N@H+](CC2CC2)CC2CCC2)c2c(c1)COCO2 ZINC000280408253 455965802 /nfs/dbraw/zinc/96/58/02/455965802.db2.gz YJMYOQFMRWBHLM-UHFFFAOYSA-N 1 0 332.400 3.473 20 5 EGBDRO Cc1c(C(=O)Nc2ncc(C3CC[NH2+]CC3)s2)cccc1[N+](=O)[O-] ZINC000262313702 456024299 /nfs/dbraw/zinc/02/42/99/456024299.db2.gz PKPPAVBFTZPVQK-UHFFFAOYSA-N 1 0 346.412 3.079 20 5 EGBDRO Cc1nc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)sc1C ZINC000296792515 456038756 /nfs/dbraw/zinc/03/87/56/456038756.db2.gz SWDRODMYMLAYTC-WDEREUQCSA-N 1 0 348.428 3.346 20 5 EGBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000296922674 456067778 /nfs/dbraw/zinc/06/77/78/456067778.db2.gz UESGPVAHXXBRHS-LSDHHAIUSA-N 1 0 348.447 3.075 20 5 EGBDRO Cc1cccc(C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)c1[N+](=O)[O-] ZINC000280910039 456078528 /nfs/dbraw/zinc/07/85/28/456078528.db2.gz GTWGJOYYYQTKJU-INIZCTEOSA-N 1 0 345.443 3.430 20 5 EGBDRO COc1cc(NCC[N@@H+]2CCc3sccc3C2)ccc1[N+](=O)[O-] ZINC000301368727 456100473 /nfs/dbraw/zinc/10/04/73/456100473.db2.gz OQYURDNLTTXLBP-UHFFFAOYSA-N 1 0 333.413 3.135 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000280994936 456104071 /nfs/dbraw/zinc/10/40/71/456104071.db2.gz NKLBSJJAKXGVHL-MRXNPFEDSA-N 1 0 345.443 3.430 20 5 EGBDRO C[C@@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000226690227 456112476 /nfs/dbraw/zinc/11/24/76/456112476.db2.gz JCCBXPUSDYVILP-SWLSCSKDSA-N 1 0 330.363 3.376 20 5 EGBDRO COCc1cc([N+](=O)[O-])ccc1N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000301474536 456123977 /nfs/dbraw/zinc/12/39/77/456123977.db2.gz MXWQKKJZSRHUMF-MRXNPFEDSA-N 1 0 333.432 3.418 20 5 EGBDRO CCOc1ccc([C@H](C)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000271106636 456127074 /nfs/dbraw/zinc/12/70/74/456127074.db2.gz GHTZPYOPWMGWFU-BPUTZDHNSA-N 1 0 333.432 3.271 20 5 EGBDRO C[C@@H]1C[C@H](Nc2ncccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000301563178 456148045 /nfs/dbraw/zinc/14/80/45/456148045.db2.gz VJSYADNDOLDQGS-GDBMZVCRSA-N 1 0 326.400 3.455 20 5 EGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCCOCCOC ZINC000271178286 456156907 /nfs/dbraw/zinc/15/69/07/456156907.db2.gz VJBKKILXAXUGBQ-CQSZACIVSA-N 1 0 342.461 3.108 20 5 EGBDRO Cc1cc(N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000301610523 456160745 /nfs/dbraw/zinc/16/07/45/456160745.db2.gz CPCCRNVZMMUGBK-GOEBONIOSA-N 1 0 326.400 3.373 20 5 EGBDRO CCOC(=O)c1cc(N[C@@H]2CCC[C@@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000301618537 456163943 /nfs/dbraw/zinc/16/39/43/456163943.db2.gz BKMXSYUBFNWOAS-TZMCWYRMSA-N 1 0 335.404 3.056 20 5 EGBDRO CC(C)(NC(=O)C[C@@H]([NH3+])c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000236662448 456166142 /nfs/dbraw/zinc/16/61/42/456166142.db2.gz CIXMFYNTPKYSGF-MRXNPFEDSA-N 1 0 327.384 3.036 20 5 EGBDRO O=C(NCCC[NH+]1CCCCC1)Nc1cccc([N+](=O)[O-])c1Cl ZINC000289884837 456168039 /nfs/dbraw/zinc/16/80/39/456168039.db2.gz ZVFGTPRRMLQMPR-UHFFFAOYSA-N 1 0 340.811 3.246 20 5 EGBDRO Cc1nc(N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000301647456 456173651 /nfs/dbraw/zinc/17/36/51/456173651.db2.gz IJUYVYUFUHWMBO-HNNXBMFYSA-N 1 0 340.427 3.399 20 5 EGBDRO COc1ccc([C@H](C)[NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)cc1 ZINC000263642553 456180221 /nfs/dbraw/zinc/18/02/21/456180221.db2.gz AKARRDHELZLBCD-LBPRGKRZSA-N 1 0 344.367 3.321 20 5 EGBDRO O=C(CC[N@@H+]1CCC[C@H]1c1ccc[nH]1)Nc1cc([N+](=O)[O-])ccc1F ZINC000273215089 456217233 /nfs/dbraw/zinc/21/72/33/456217233.db2.gz XIBATVLXYFJBLF-INIZCTEOSA-N 1 0 346.362 3.228 20 5 EGBDRO C[NH+](C)[C@H]1CCC[C@H](Nc2c(Br)cncc2[N+](=O)[O-])C1 ZINC000301907105 456247609 /nfs/dbraw/zinc/24/76/09/456247609.db2.gz ZPCKGPNIVQEGLL-UWVGGRQHSA-N 1 0 343.225 3.037 20 5 EGBDRO Cc1cc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c2cccc([N+](=O)[O-])c2n1 ZINC000301996921 456266871 /nfs/dbraw/zinc/26/68/71/456266871.db2.gz HWUKGDGIJJPNTQ-KGLIPLIRSA-N 1 0 326.400 3.124 20 5 EGBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC000342867474 456282770 /nfs/dbraw/zinc/28/27/70/456282770.db2.gz BVJWYOHZTQFREU-NWDGAFQWSA-N 1 0 331.338 3.224 20 5 EGBDRO C[NH+]1CCC([C@@H]2CCN(c3ccnc4ccc([N+](=O)[O-])cc43)C2)CC1 ZINC000601134902 460725159 /nfs/dbraw/zinc/72/51/59/460725159.db2.gz JISDIJAJTONJTO-OAHLLOKOSA-N 1 0 340.427 3.311 20 5 EGBDRO CC[C@@H]1CN(c2ncc([N+](=O)[O-])cc2C)CC[N@@H+]1Cc1ccccc1 ZINC000302142908 456298293 /nfs/dbraw/zinc/29/82/93/456298293.db2.gz FZGSFYKAOSVURK-QGZVFWFLSA-N 1 0 340.427 3.399 20 5 EGBDRO COc1cc(C[NH2+][C@@H]2CSC[C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000352795762 456316607 /nfs/dbraw/zinc/31/66/07/456316607.db2.gz FFPZPKFLVQNURH-PSASIEDQSA-N 1 0 348.371 3.046 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000352802143 456321474 /nfs/dbraw/zinc/32/14/74/456321474.db2.gz LQOQDLNWOXJGFS-QAPCUYQASA-N 1 0 347.459 3.441 20 5 EGBDRO CC[N@H+](CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C1CCCC1 ZINC000297927955 456326367 /nfs/dbraw/zinc/32/63/67/456326367.db2.gz RAHWYVRQSNGMGU-UHFFFAOYSA-N 1 0 335.404 3.197 20 5 EGBDRO O=C(CC[N@@H+]1CCS[C@H]2CCCC[C@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000281861673 456342093 /nfs/dbraw/zinc/34/20/93/456342093.db2.gz AORRVSSTXGWZQP-CVEARBPZSA-N 1 0 349.456 3.283 20 5 EGBDRO CN(C[C@H]1CC[N@H+](C)[C@H]1c1cccnc1)c1c(F)cccc1[N+](=O)[O-] ZINC000343015479 456356846 /nfs/dbraw/zinc/35/68/46/456356846.db2.gz MPDOHQZBEFHGSR-PBHICJAKSA-N 1 0 344.390 3.258 20 5 EGBDRO CCOC(CC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)OCC ZINC000276112121 456390289 /nfs/dbraw/zinc/39/02/89/456390289.db2.gz AXVBXNJRALUJEI-MRXNPFEDSA-N 1 0 336.432 3.295 20 5 EGBDRO CCOC(CC[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)OCC ZINC000276254893 456426024 /nfs/dbraw/zinc/42/60/24/456426024.db2.gz SOXQHGLOGSKJDN-UHFFFAOYSA-N 1 0 348.346 3.075 20 5 EGBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2c2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000276546970 456512520 /nfs/dbraw/zinc/51/25/20/456512520.db2.gz DVZIVVXPMJNVMA-HOCLYGCPSA-N 1 0 326.400 3.064 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000340549877 456525857 /nfs/dbraw/zinc/52/58/57/456525857.db2.gz MRUGDBBAYWVKFE-FZKQIMNGSA-N 1 0 333.432 3.144 20 5 EGBDRO COc1ccc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000282569420 456556416 /nfs/dbraw/zinc/55/64/16/456556416.db2.gz ZINRKGCNSFIJRR-UHFFFAOYSA-N 1 0 345.355 3.186 20 5 EGBDRO C[C@](O)(C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(F)(F)F ZINC000340595476 456557378 /nfs/dbraw/zinc/55/73/78/456557378.db2.gz KWAIBPJNIQYTLC-AWEZNQCLSA-N 1 0 344.289 3.258 20 5 EGBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)C[NH+]1CCCCC1 ZINC000298941794 456572221 /nfs/dbraw/zinc/57/22/21/456572221.db2.gz JJGRUWARSLZVIW-LBPRGKRZSA-N 1 0 339.823 3.100 20 5 EGBDRO CC(C)n1nccc1[C@@H]1OCC[C@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000343381145 456575746 /nfs/dbraw/zinc/57/57/46/456575746.db2.gz CFWZRVSAILQXRT-IUODEOHRSA-N 1 0 336.417 3.054 20 5 EGBDRO O=[N+]([O-])c1cc(CN2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cs1 ZINC000348302535 456606701 /nfs/dbraw/zinc/60/67/01/456606701.db2.gz AHMMQJOQXIVLFT-IRXDYDNUSA-N 1 0 343.452 3.220 20 5 EGBDRO Cc1cc(N(C)CCN(C)CC(F)F)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000337936471 456608938 /nfs/dbraw/zinc/60/89/38/456608938.db2.gz CIENGRBKERLABI-UHFFFAOYSA-N 1 0 338.358 3.085 20 5 EGBDRO CN(CC[N@H+](C)C1CCCCC1)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000299131600 456614384 /nfs/dbraw/zinc/61/43/84/456614384.db2.gz CWLUBOJTBXWEEJ-UHFFFAOYSA-N 1 0 337.395 3.070 20 5 EGBDRO CCC[N@H+](C)C[C@H]1CCN(Cc2ccc([N+](=O)[O-])c(OCC)c2)C1 ZINC000276952881 456630748 /nfs/dbraw/zinc/63/07/48/456630748.db2.gz UPHBOPIIDPIMHB-MRXNPFEDSA-N 1 0 335.448 3.157 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H]2CCC[C@H]21 ZINC000299248137 456641898 /nfs/dbraw/zinc/64/18/98/456641898.db2.gz KNZDZBMOFIOTLT-CZUORRHYSA-N 1 0 347.415 3.197 20 5 EGBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000291437048 456643838 /nfs/dbraw/zinc/64/38/38/456643838.db2.gz BNSGYXIXBKESQX-LLVKDONJSA-N 1 0 327.812 3.098 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000277012666 456653361 /nfs/dbraw/zinc/65/33/61/456653361.db2.gz BJCJPVWNOIQZOR-AWEZNQCLSA-N 1 0 334.420 3.160 20 5 EGBDRO C[C@H](CNc1ncnc2sc([N+](=O)[O-])cc21)C[NH+]1CCCCC1 ZINC000323763880 456655862 /nfs/dbraw/zinc/65/58/62/456655862.db2.gz WTSMSALNCCKWFX-LLVKDONJSA-N 1 0 335.433 3.133 20 5 EGBDRO Cc1ccc(C(=O)NC2CC[NH+](CC3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000299314098 456656285 /nfs/dbraw/zinc/65/62/85/456656285.db2.gz VBCYLEZWJLTKCX-UHFFFAOYSA-N 1 0 345.443 3.288 20 5 EGBDRO CC[N@H+](CCNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])C1CC1 ZINC000291606083 456693515 /nfs/dbraw/zinc/69/35/15/456693515.db2.gz XRHCWKXCZXKAGP-UHFFFAOYSA-N 1 0 346.214 3.116 20 5 EGBDRO O=C(CC[N@@H+]1CCC[C@@H]1c1ccncc1)Nc1ccccc1[N+](=O)[O-] ZINC000299565801 456730345 /nfs/dbraw/zinc/73/03/45/456730345.db2.gz GYDRMICZYOJGAZ-MRXNPFEDSA-N 1 0 340.383 3.156 20 5 EGBDRO COc1ncccc1CC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000353561545 456761200 /nfs/dbraw/zinc/76/12/00/456761200.db2.gz PLXCOVHWTKBVDA-QGZVFWFLSA-N 1 0 327.384 3.208 20 5 EGBDRO CNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000291861750 456781319 /nfs/dbraw/zinc/78/13/19/456781319.db2.gz HQLDKZCEDQVAIJ-MNOVXSKESA-N 1 0 333.413 3.108 20 5 EGBDRO COc1ccc(CC[C@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])cc1O ZINC000277350550 456789364 /nfs/dbraw/zinc/78/93/64/456789364.db2.gz YXCSQWQYDBNGRP-ZDUSSCGKSA-N 1 0 330.384 3.420 20 5 EGBDRO COCCOc1ccc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000348669563 456809995 /nfs/dbraw/zinc/80/99/95/456809995.db2.gz GMWMGGUMIITSRK-UHFFFAOYSA-N 1 0 344.411 3.295 20 5 EGBDRO COc1ccc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000348675641 456810655 /nfs/dbraw/zinc/81/06/55/456810655.db2.gz QUKKBQPZFXMGQO-UHFFFAOYSA-N 1 0 330.384 3.287 20 5 EGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C2CC(C(F)(F)F)C2)n1 ZINC000348692641 456818073 /nfs/dbraw/zinc/81/80/73/456818073.db2.gz FCOFWXWHORQELL-KIDURHIOSA-N 1 0 332.326 3.206 20 5 EGBDRO C[NH+](C)CCc1ccc(Nc2nc3sccn3c2[N+](=O)[O-])cc1 ZINC000301211216 456823849 /nfs/dbraw/zinc/82/38/49/456823849.db2.gz WVGSHJARDNCPPN-UHFFFAOYSA-N 1 0 331.401 3.152 20 5 EGBDRO CC(C)c1ccc(C[NH+]2CCC(CCC(N)=O)CC2)cc1[N+](=O)[O-] ZINC000353799983 456912418 /nfs/dbraw/zinc/91/24/18/456912418.db2.gz XTUANKSECFJVTC-UHFFFAOYSA-N 1 0 333.432 3.196 20 5 EGBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000339062144 456922875 /nfs/dbraw/zinc/92/28/75/456922875.db2.gz YDDMVPKZZBXLRV-QWRGUYRKSA-N 1 0 331.338 3.138 20 5 EGBDRO C[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@H]1CCCC[C@@H]1O ZINC000339100217 456940735 /nfs/dbraw/zinc/94/07/35/456940735.db2.gz WJXIPEZNFNAIOZ-KBPBESRZSA-N 1 0 332.322 3.349 20 5 EGBDRO CC[N@@H+]1C[C@H](C)N(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C[C@@H]1C ZINC000345188912 456960456 /nfs/dbraw/zinc/96/04/56/456960456.db2.gz ITWVOCDUYXYUCG-QWRGUYRKSA-N 1 0 329.347 3.115 20 5 EGBDRO Cc1nccnc1CC[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000339527689 457136451 /nfs/dbraw/zinc/13/64/51/457136451.db2.gz CYFKSTRLHQOQKN-UHFFFAOYSA-N 1 0 338.367 3.286 20 5 EGBDRO C[NH+](C)C[C@@H](NCc1ccc([N+](=O)[O-])cc1F)c1ccc(F)cc1 ZINC000342183185 457154314 /nfs/dbraw/zinc/15/43/14/457154314.db2.gz BELCQVQJRPFDNL-QGZVFWFLSA-N 1 0 335.354 3.266 20 5 EGBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000347041682 457199649 /nfs/dbraw/zinc/19/96/49/457199649.db2.gz LJUCLKUGPIMYKZ-DLBZAZTESA-N 1 0 347.459 3.106 20 5 EGBDRO Cc1nc(CC[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)sc1C ZINC000331523551 457201601 /nfs/dbraw/zinc/20/16/01/457201601.db2.gz WENCJNYTLNPWLL-KBPBESRZSA-N 1 0 349.460 3.181 20 5 EGBDRO Cc1ccc(C(=O)N2CCC[C@H]([NH+]3[C@@H](C)CC[C@@H]3C)C2)cc1[N+](=O)[O-] ZINC000347046426 457202459 /nfs/dbraw/zinc/20/24/59/457202459.db2.gz CQCXPXBLGJUPTC-ZOBUZTSGSA-N 1 0 345.443 3.381 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](CC2CC2)C1 ZINC000339682742 457211532 /nfs/dbraw/zinc/21/15/32/457211532.db2.gz LIOXAPJFMVLGCH-JSGCOSHPSA-N 1 0 347.415 3.052 20 5 EGBDRO COc1cc(C[NH2+][C@H](C)Cc2cccc(O)c2)c([N+](=O)[O-])cc1OC ZINC000356922879 457221821 /nfs/dbraw/zinc/22/18/21/457221821.db2.gz QTJANWUUPRPXND-GFCCVEGCSA-N 1 0 346.383 3.038 20 5 EGBDRO CC(C)[C@]1(CO)CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000339703754 457222566 /nfs/dbraw/zinc/22/25/66/457222566.db2.gz ZDYIVIZHAGDXFS-MRXNPFEDSA-N 1 0 326.824 3.479 20 5 EGBDRO Cc1cccc(CN(CC[NH+](C)C)c2ncc(C)cc2[N+](=O)[O-])c1 ZINC000347094854 457227661 /nfs/dbraw/zinc/22/76/61/457227661.db2.gz FPBRPOHLRTVTFU-UHFFFAOYSA-N 1 0 328.416 3.175 20 5 EGBDRO CC(=O)NC1CCC([NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000342308399 457228673 /nfs/dbraw/zinc/22/86/73/457228673.db2.gz XGWYMOOSXXRVSX-JLHYYAGUSA-N 1 0 331.416 3.035 20 5 EGBDRO O=[N+]([O-])c1ccc(OCC[NH+]2CCC(Cc3cccnc3)CC2)cc1 ZINC000357043101 457294230 /nfs/dbraw/zinc/29/42/30/457294230.db2.gz SPGXSPGCGSBSSO-UHFFFAOYSA-N 1 0 341.411 3.323 20 5 EGBDRO C[C@H]1C[C@@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC[N@@H+]1C ZINC000332192240 457323168 /nfs/dbraw/zinc/32/31/68/457323168.db2.gz QSLFNLKAGVXLPX-JQWIXIFHSA-N 1 0 333.413 3.022 20 5 EGBDRO C[C@H]1C[C@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC[N@@H+]1C ZINC000332192237 457323429 /nfs/dbraw/zinc/32/34/29/457323429.db2.gz QSLFNLKAGVXLPX-CMPLNLGQSA-N 1 0 333.413 3.022 20 5 EGBDRO CC[N@@H+]1CC[C@H](N(C)c2nc3ccccc3cc2[N+](=O)[O-])C[C@H]1C ZINC000352357827 457356819 /nfs/dbraw/zinc/35/68/19/457356819.db2.gz UNJKLWBVVXNUKM-HIFRSBDPSA-N 1 0 328.416 3.452 20 5 EGBDRO CC[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000363587691 457373322 /nfs/dbraw/zinc/37/33/22/457373322.db2.gz SYTZBKKUJZHECX-CVEARBPZSA-N 1 0 328.416 3.487 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(N2CCCC2=O)CC1 ZINC000347375071 457385177 /nfs/dbraw/zinc/38/51/77/457385177.db2.gz ZAHGLVBKOROGRV-QINSGFPZSA-N 1 0 343.427 3.085 20 5 EGBDRO CC(=O)NC1CCC([N@H+](C)C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000347379111 457389912 /nfs/dbraw/zinc/38/99/12/457389912.db2.gz OQTKDTIZTRHQRX-KAMYIIQDSA-N 1 0 345.443 3.377 20 5 EGBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)Nc1ncnc2cccc([N+](=O)[O-])c21 ZINC000347428567 457422452 /nfs/dbraw/zinc/42/24/52/457422452.db2.gz KWUGSVZIJJDXOE-OLZOCXBDSA-N 1 0 329.404 3.070 20 5 EGBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)C[C@H]21 ZINC000369913175 457458275 /nfs/dbraw/zinc/45/82/75/457458275.db2.gz QGXHRYSMZZNERX-LERXQTSPSA-N 1 0 345.424 3.009 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 ZINC000363946338 457466395 /nfs/dbraw/zinc/46/63/95/457466395.db2.gz MWLMFVRSNKTYQH-XSWJXKHESA-N 1 0 334.416 3.233 20 5 EGBDRO O=[N+]([O-])c1cnc(S[C@@H]2CCC[N@H+](Cc3ccccc3)C2)nc1 ZINC000425287244 457481914 /nfs/dbraw/zinc/48/19/14/457481914.db2.gz VSTROMUEQJYWOY-OAHLLOKOSA-N 1 0 330.413 3.142 20 5 EGBDRO Cc1nc(NCC2CC[NH+](Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000397523619 457488806 /nfs/dbraw/zinc/48/88/06/457488806.db2.gz WOSWPZAKNZOYPB-UHFFFAOYSA-N 1 0 340.427 3.044 20 5 EGBDRO Cc1ccc([C@H]2CCC[C@H]2[N@@H+](C)Cc2c([N+](=O)[O-])ncn2C)cc1 ZINC000370045124 457514523 /nfs/dbraw/zinc/51/45/23/457514523.db2.gz JOMRFEMLEXVXTK-HZPDHXFCSA-N 1 0 328.416 3.405 20 5 EGBDRO CSC1(CNc2ccc(Cl)cc2[N+](=O)[O-])CC[NH+](C)CC1 ZINC000357552728 457592338 /nfs/dbraw/zinc/59/23/38/457592338.db2.gz WNMGOZFSANGJJJ-UHFFFAOYSA-N 1 0 329.853 3.488 20 5 EGBDRO C[C@H]1C[C@H](c2cccnc2)[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000370230870 457593709 /nfs/dbraw/zinc/59/37/09/457593709.db2.gz PPHOGMQXXMHEQY-KBXCAEBGSA-N 1 0 327.384 3.452 20 5 EGBDRO CCc1cnccc1[C@@H](C)[NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000361138167 457608029 /nfs/dbraw/zinc/60/80/29/457608029.db2.gz ZIMRQDJNKPNMNE-CYBMUJFWSA-N 1 0 342.399 3.150 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000364581687 457647260 /nfs/dbraw/zinc/64/72/60/457647260.db2.gz XSDYKVYFDSQDFC-UHFFFAOYSA-N 1 0 344.415 3.485 20 5 EGBDRO C[C@@H]1CCC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)[C@@H]1C ZINC000357729944 457671725 /nfs/dbraw/zinc/67/17/25/457671725.db2.gz JUOXMVRGHPVCQH-CHWSQXEVSA-N 1 0 333.388 3.013 20 5 EGBDRO COc1ccc(NC(=O)C[N@@H+]2C[C@H](C)CCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000357746188 457675921 /nfs/dbraw/zinc/67/59/21/457675921.db2.gz OZWNKJYODWFTBF-CHWSQXEVSA-N 1 0 335.404 3.052 20 5 EGBDRO C[C@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000443332198 457748301 /nfs/dbraw/zinc/74/83/01/457748301.db2.gz HFRGLRFVKAVJIJ-IGCXYCKISA-N 1 0 345.399 3.231 20 5 EGBDRO CCNC(=O)C1(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CCC1 ZINC000433071408 457751305 /nfs/dbraw/zinc/75/13/05/457751305.db2.gz YGZNDKQIPRGXNM-MRXNPFEDSA-N 1 0 345.443 3.213 20 5 EGBDRO CC1CC[NH+]([C@H](CNc2ncc([N+](=O)[O-])s2)c2ccccc2)CC1 ZINC000443518388 457775777 /nfs/dbraw/zinc/77/57/77/457775777.db2.gz RYZQNBBPVZUFEW-OAHLLOKOSA-N 1 0 346.456 3.358 20 5 EGBDRO O=C1CCC[C@H](C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)N1 ZINC000433204782 457778255 /nfs/dbraw/zinc/77/82/55/457778255.db2.gz IBGSCXBWTVPFJS-GFCCVEGCSA-N 1 0 345.424 3.082 20 5 EGBDRO COc1ccc(NC(=O)CC[NH+]2[C@H](C)CCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000411284274 457850084 /nfs/dbraw/zinc/85/00/84/457850084.db2.gz XMQORENMCVXOSN-CHWSQXEVSA-N 1 0 335.404 3.195 20 5 EGBDRO Cn1ncc2c1CCC[C@H]2[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000358193167 457850376 /nfs/dbraw/zinc/85/03/76/457850376.db2.gz AKXRMCFGNZAJFR-QGZVFWFLSA-N 1 0 328.416 3.318 20 5 EGBDRO CNC(=O)c1ccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000358235964 457878029 /nfs/dbraw/zinc/87/80/29/457878029.db2.gz SFPXSPYOIHZPCW-ZDUSSCGKSA-N 1 0 327.384 3.114 20 5 EGBDRO CC[C@@H](c1ccncc1)[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411424077 457883608 /nfs/dbraw/zinc/88/36/08/457883608.db2.gz KOZMUFILHSDGAU-KRWDZBQOSA-N 1 0 342.399 3.402 20 5 EGBDRO C[C@H](c1cccnc1)[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411425156 457883746 /nfs/dbraw/zinc/88/37/46/457883746.db2.gz QIHRXKWEFFVFGS-CYBMUJFWSA-N 1 0 328.372 3.011 20 5 EGBDRO CC(C)[C@@H]1CCC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000444751608 457966214 /nfs/dbraw/zinc/96/62/14/457966214.db2.gz BPCNXONIKCUPFC-PBHICJAKSA-N 1 0 331.416 3.068 20 5 EGBDRO CCOc1ccc([C@H](C)[NH2+]CCNc2cccc(C)n2)cc1[N+](=O)[O-] ZINC000358384291 457968393 /nfs/dbraw/zinc/96/83/93/457968393.db2.gz PZBFTMAOZZTNAH-AWEZNQCLSA-N 1 0 344.415 3.460 20 5 EGBDRO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1CCOC(C)(C)C1 ZINC000411747357 457969581 /nfs/dbraw/zinc/96/95/81/457969581.db2.gz JFIJZHVAJBLIKH-INIZCTEOSA-N 1 0 349.431 3.203 20 5 EGBDRO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000444773325 457973007 /nfs/dbraw/zinc/97/30/07/457973007.db2.gz RCGAPWWNINNVER-KBPBESRZSA-N 1 0 349.431 3.298 20 5 EGBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000444834291 457986337 /nfs/dbraw/zinc/98/63/37/457986337.db2.gz DYNFUJAKALSHAC-ZDUSSCGKSA-N 1 0 341.839 3.469 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(C)cc1C[NH+](C)C ZINC000427596795 458006649 /nfs/dbraw/zinc/00/66/49/458006649.db2.gz NTKQEPFUZAEMNO-UHFFFAOYSA-N 1 0 343.383 3.226 20 5 EGBDRO CCOC(=O)[C@H]1CCC[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000435246374 458108479 /nfs/dbraw/zinc/10/84/79/458108479.db2.gz GVRIPRHPJWWQRW-HNNXBMFYSA-N 1 0 334.416 3.493 20 5 EGBDRO CC[C@]1(O)CC[N@H+](Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C1 ZINC000428450217 458145605 /nfs/dbraw/zinc/14/56/05/458145605.db2.gz WSKVCNIKTMUJGG-SFHVURJKSA-N 1 0 346.383 3.210 20 5 EGBDRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412259711 458147278 /nfs/dbraw/zinc/14/72/78/458147278.db2.gz LVGPCDMALBOLIX-JCGIZDLHSA-N 1 0 345.443 3.079 20 5 EGBDRO C[N@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CCCC[C@H]1O ZINC000428466284 458151557 /nfs/dbraw/zinc/15/15/57/458151557.db2.gz YTNIIPYYNRQVGN-HZPDHXFCSA-N 1 0 347.440 3.454 20 5 EGBDRO O=[N+]([O-])c1ccn(C2CC[NH+](CCCCc3ccccc3)CC2)n1 ZINC000376043687 458175924 /nfs/dbraw/zinc/17/59/24/458175924.db2.gz QWIPRNCUCDRYQH-UHFFFAOYSA-N 1 0 328.416 3.451 20 5 EGBDRO Cc1noc(C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)n1 ZINC000428655143 458185492 /nfs/dbraw/zinc/18/54/92/458185492.db2.gz WOWCJLXHNZKXBQ-KRWDZBQOSA-N 1 0 338.367 3.360 20 5 EGBDRO O=[N+]([O-])c1cccnc1NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000428661670 458187005 /nfs/dbraw/zinc/18/70/05/458187005.db2.gz UXQIAUCQKGAQAS-OAHLLOKOSA-N 1 0 344.440 3.019 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCC[C@@H](c2ccnn2C)C1 ZINC000376079142 458187728 /nfs/dbraw/zinc/18/77/28/458187728.db2.gz HAEHBUJXDSQKMI-HIFRSBDPSA-N 1 0 344.415 3.153 20 5 EGBDRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000358806124 458229549 /nfs/dbraw/zinc/22/95/49/458229549.db2.gz IYSZEWADJITZGU-CHWSQXEVSA-N 1 0 338.404 3.059 20 5 EGBDRO COc1ccc(CC[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000447515926 458303439 /nfs/dbraw/zinc/30/34/39/458303439.db2.gz DSOLDDOSXOEOAF-DLBZAZTESA-N 1 0 344.415 3.116 20 5 EGBDRO Cc1ccccc1OCC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447532551 458306782 /nfs/dbraw/zinc/30/67/82/458306782.db2.gz URZZXACISDVYTD-JKSUJKDBSA-N 1 0 344.415 3.252 20 5 EGBDRO CCC1(CC)[C@H]([NH2+]CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C[C@@H]1OC ZINC000429288517 458308964 /nfs/dbraw/zinc/30/89/64/458308964.db2.gz WJAWVXFSPQNOHE-CABCVRRESA-N 1 0 349.431 3.025 20 5 EGBDRO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)[C@]12CCCO2 ZINC000447595393 458319505 /nfs/dbraw/zinc/31/95/05/458319505.db2.gz NGCXTNNFNABKDB-INDMIFKZSA-N 1 0 346.427 3.288 20 5 EGBDRO C[C@@H]1CN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC[N@@H+](C2CCC2)C1 ZINC000429405782 458329998 /nfs/dbraw/zinc/32/99/98/458329998.db2.gz SGDDJAMPIVPIQU-GFCCVEGCSA-N 1 0 339.386 3.179 20 5 EGBDRO C[C@@H]1CC[C@@H]([N@H+](C)CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000429575210 458348190 /nfs/dbraw/zinc/34/81/90/458348190.db2.gz UKMCMXORBMQWGC-ZYHUDNBSSA-N 1 0 325.796 3.307 20 5 EGBDRO C[C@H](CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000429855497 458378294 /nfs/dbraw/zinc/37/82/94/458378294.db2.gz CQOYGGMOWOXDTF-OAHLLOKOSA-N 1 0 347.459 3.111 20 5 EGBDRO O=C(c1cc2ccccc2c2cccnc12)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000373057863 458387883 /nfs/dbraw/zinc/38/78/83/458387883.db2.gz PQVFPWODYOAULZ-LIRRHRJNSA-N 1 0 331.419 3.212 20 5 EGBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000430128992 458407036 /nfs/dbraw/zinc/40/70/36/458407036.db2.gz HZYHPENNDJKTNK-MKBZDKFGSA-N 1 0 329.444 3.270 20 5 EGBDRO Cc1ccc(C[NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)nc1C ZINC000459655695 458438138 /nfs/dbraw/zinc/43/81/38/458438138.db2.gz AMXQGQSRUZJCME-ZDUSSCGKSA-N 1 0 342.399 3.114 20 5 EGBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](C)c1cncc(F)c1 ZINC000459655297 458438330 /nfs/dbraw/zinc/43/83/30/458438330.db2.gz UUONYELRZDUJDZ-RYUDHWBXSA-N 1 0 346.362 3.197 20 5 EGBDRO CCOc1ccccc1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373246410 458442055 /nfs/dbraw/zinc/44/20/55/458442055.db2.gz WIHZBHYVMWBVGZ-UHFFFAOYSA-N 1 0 330.388 3.027 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000423696192 458472572 /nfs/dbraw/zinc/47/25/72/458472572.db2.gz JJMLYKQYIZGNJB-UHFFFAOYSA-N 1 0 325.368 3.376 20 5 EGBDRO CCC[C@H]([NH2+][C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)C1CCC1 ZINC000459786226 458479379 /nfs/dbraw/zinc/47/93/79/458479379.db2.gz DDEPWDGLVMSHGX-DOMZBBRYSA-N 1 0 349.431 3.489 20 5 EGBDRO C[C@H]1C[C@@H](c2cccnc2)N(CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000373411700 458485615 /nfs/dbraw/zinc/48/56/15/458485615.db2.gz GVFUKMKDXXEPCS-GUYCJALGSA-N 1 0 340.383 3.011 20 5 EGBDRO CC(C)c1ccc(C[N@@H+]2CC[C@H](C(=O)N3CCCC3)C2)cc1[N+](=O)[O-] ZINC000377833690 458545364 /nfs/dbraw/zinc/54/53/64/458545364.db2.gz FSWAVZQYEVJRHW-INIZCTEOSA-N 1 0 345.443 3.163 20 5 EGBDRO CC(C)c1ccc(C[N@@H+]2CC[C@@H](c3nccn3C)C2)cc1[N+](=O)[O-] ZINC000377887651 458563694 /nfs/dbraw/zinc/56/36/94/458563694.db2.gz GLJMCLFPYFRCTL-OAHLLOKOSA-N 1 0 328.416 3.441 20 5 EGBDRO COC(=O)c1cnc([C@@H](C)[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])s1 ZINC000424326602 458616342 /nfs/dbraw/zinc/61/63/42/458616342.db2.gz MELIKOVCXSGAFJ-WDEREUQCSA-N 1 0 349.412 3.120 20 5 EGBDRO CC(C)[N@H+](CCC(=O)N1CCC[C@H]1C)Cc1ccc([N+](=O)[O-])cc1 ZINC000438834419 458619612 /nfs/dbraw/zinc/61/96/12/458619612.db2.gz SOMGRVOZMLKLJB-OAHLLOKOSA-N 1 0 333.432 3.206 20 5 EGBDRO CC1(c2ccc(Cl)cc2)CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000470871125 458657505 /nfs/dbraw/zinc/65/75/05/458657505.db2.gz INBSFKNBWKGQAL-UHFFFAOYSA-N 1 0 348.834 3.498 20 5 EGBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000502585314 458660600 /nfs/dbraw/zinc/66/06/00/458660600.db2.gz BPXXANCEFFWNQY-HNNXBMFYSA-N 1 0 334.420 3.289 20 5 EGBDRO O=[N+]([O-])c1ccc(OCC[N@H+]2CCCC[C@@H]2[C@H]2CCCC[C@H]2O)cc1 ZINC000463210365 458682161 /nfs/dbraw/zinc/68/21/61/458682161.db2.gz BAWGLJVHJPQVPT-GUDVDZBRSA-N 1 0 348.443 3.379 20 5 EGBDRO CCCC[N@H+](CC)Cc1cccc(CNc2ncc([N+](=O)[O-])cn2)c1 ZINC000546883156 458684792 /nfs/dbraw/zinc/68/47/92/458684792.db2.gz HZEHNHDKUSNTIG-UHFFFAOYSA-N 1 0 343.431 3.041 20 5 EGBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH+]([C@@H](C)CC)CC1 ZINC000456538911 458707485 /nfs/dbraw/zinc/70/74/85/458707485.db2.gz XYDQPUKAQVZFKP-DOTOQJQBSA-N 1 0 347.459 3.106 20 5 EGBDRO C[NH+]1CCC([C@@H]2CCN(c3ccnc4c3cccc4[N+](=O)[O-])C2)CC1 ZINC000432320990 458715496 /nfs/dbraw/zinc/71/54/96/458715496.db2.gz CMXYNDXQOWJSSQ-OAHLLOKOSA-N 1 0 340.427 3.311 20 5 EGBDRO O=[N+]([O-])c1cnn(CC[N@H+]2Cc3ccccc3[C@H](c3ccccc3)C2)c1 ZINC000471714392 458716761 /nfs/dbraw/zinc/71/67/61/458716761.db2.gz POYVTSALSYCLPI-FQEVSTJZSA-N 1 0 348.406 3.439 20 5 EGBDRO CCc1ccc(C(=O)NCCCC[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000471805543 458732616 /nfs/dbraw/zinc/73/26/16/458732616.db2.gz RQJAYPBGBZMDOD-UHFFFAOYSA-N 1 0 347.459 3.399 20 5 EGBDRO CCc1ccc(C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000471806101 458733314 /nfs/dbraw/zinc/73/33/14/458733314.db2.gz VBYBTNDBFBFSLQ-OAHLLOKOSA-N 1 0 347.459 3.399 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1nc(CN(C)C)cs1 ZINC000457320331 458920535 /nfs/dbraw/zinc/92/05/35/458920535.db2.gz ZWFYFSFDJXUFRR-UHFFFAOYSA-N 1 0 348.428 3.290 20 5 EGBDRO CCC(C)(C)[C@@H]1CCC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000441634594 458965147 /nfs/dbraw/zinc/96/51/47/458965147.db2.gz NDZUVADCQMTVBD-KRWDZBQOSA-N 1 0 345.443 3.385 20 5 EGBDRO CCC[C@H]([NH2+]C[C@@H](O)COc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000531944109 459004692 /nfs/dbraw/zinc/00/46/92/459004692.db2.gz RDEWBGKQAUVSPB-MJGOQNOKSA-N 1 0 344.411 3.466 20 5 EGBDRO CC[C@H]([NH2+][C@@H]1CC[C@](O)(C(F)(F)F)C1)c1cccc([N+](=O)[O-])c1 ZINC000589950199 459056061 /nfs/dbraw/zinc/05/60/61/459056061.db2.gz YRNCGYJQEULOGZ-KWCYVHTRSA-N 1 0 332.322 3.481 20 5 EGBDRO COCCOc1ccc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000520428371 459058832 /nfs/dbraw/zinc/05/88/32/459058832.db2.gz RWXQLEJJVRALLW-SFHVURJKSA-N 1 0 342.395 3.397 20 5 EGBDRO COc1ccc2c(c1)OC[C@H]([NH2+][C@@H]1CCc3c1cccc3[N+](=O)[O-])C2 ZINC000594500069 459063192 /nfs/dbraw/zinc/06/31/92/459063192.db2.gz HBKDLFRXNNIGGY-CXAGYDPISA-N 1 0 340.379 3.184 20 5 EGBDRO CC(C)[C@@H](C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccnn1C ZINC000594499806 459063486 /nfs/dbraw/zinc/06/34/86/459063486.db2.gz KHJFAJOYUHNLTL-HZPDHXFCSA-N 1 0 328.416 3.345 20 5 EGBDRO Cc1cnc(CC[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c(C)c1 ZINC000594509334 459067821 /nfs/dbraw/zinc/06/78/21/459067821.db2.gz HMXIOFANOVXOIC-SJORKVTESA-N 1 0 343.431 3.119 20 5 EGBDRO CC[C@H](C)[C@H](C)[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000520608501 459077268 /nfs/dbraw/zinc/07/72/68/459077268.db2.gz ITPSIECDZXSRDY-GRDNDAEWSA-N 1 0 336.432 3.234 20 5 EGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000567486672 459114949 /nfs/dbraw/zinc/11/49/49/459114949.db2.gz QNOVMWXIBRPDEV-KRWDZBQOSA-N 1 0 338.411 3.367 20 5 EGBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC(C)(C)[C@@H]3CCC[C@H]32)c1 ZINC000590379648 459122558 /nfs/dbraw/zinc/12/25/58/459122558.db2.gz KOLWVLIFAJDLGE-GDBMZVCRSA-N 1 0 332.400 3.392 20 5 EGBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000521438222 459153584 /nfs/dbraw/zinc/15/35/84/459153584.db2.gz XNTBNWGNUPAOML-CHWSQXEVSA-N 1 0 342.399 3.194 20 5 EGBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]C[C@H]1CCCCC1(F)F)OCCO2 ZINC000590655212 459172456 /nfs/dbraw/zinc/17/24/56/459172456.db2.gz YIVCEAJIVZQURU-GFCCVEGCSA-N 1 0 342.342 3.281 20 5 EGBDRO C[C@H](CCc1ccccc1)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000533058441 459182240 /nfs/dbraw/zinc/18/22/40/459182240.db2.gz LNXONPDJOBRMOH-WBVHZDCISA-N 1 0 340.427 3.497 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCC[C@H]([S@](C)=O)C1 ZINC000594964739 459196152 /nfs/dbraw/zinc/19/61/52/459196152.db2.gz FRZHXZVSTSBGCN-VBYURDAQSA-N 1 0 336.457 3.277 20 5 EGBDRO CCO[C@H]1C[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C12CCC2 ZINC000590756295 459206105 /nfs/dbraw/zinc/20/61/05/459206105.db2.gz YCNOMNCORGAPGU-CABCVRRESA-N 1 0 331.372 3.173 20 5 EGBDRO Cn1cc(CCC[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC000590757313 459207037 /nfs/dbraw/zinc/20/70/37/459207037.db2.gz INKZKUQCFNMTCD-QGZVFWFLSA-N 1 0 328.416 3.141 20 5 EGBDRO CC(C)[C@@H](CO)[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)C(C)C ZINC000590758042 459207077 /nfs/dbraw/zinc/20/70/77/459207077.db2.gz WNCJRTVUQBZAMU-DYVFJYSZSA-N 1 0 335.404 3.115 20 5 EGBDRO C[C@H](c1ccccc1)[C@@H](O)C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000595000551 459210197 /nfs/dbraw/zinc/21/01/97/459210197.db2.gz LGEVCNNATQTRHN-SQYNCKKWSA-N 1 0 326.396 3.362 20 5 EGBDRO COC1(C[NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000480696080 459213983 /nfs/dbraw/zinc/21/39/83/459213983.db2.gz SZKYHOCDTVMDAT-CQSZACIVSA-N 1 0 349.431 3.251 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCn1cnc2ccccc21 ZINC000595010770 459215901 /nfs/dbraw/zinc/21/59/01/459215901.db2.gz YRAZWBJVQOCWMB-CYBMUJFWSA-N 1 0 340.383 3.304 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000595016899 459216944 /nfs/dbraw/zinc/21/69/44/459216944.db2.gz ATDLSNUAIOORAU-ASTDHERZSA-N 1 0 334.416 3.458 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](CO)Cc1cccc(C)c1 ZINC000595042594 459226045 /nfs/dbraw/zinc/22/60/45/459226045.db2.gz ULYKYGDIXBHAFZ-GOEBONIOSA-N 1 0 344.411 3.166 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H]1CCCCN1C1CC1 ZINC000595044118 459227258 /nfs/dbraw/zinc/22/72/58/459227258.db2.gz KZGCCGLJXRAJLY-CJNGLKHVSA-N 1 0 333.432 3.271 20 5 EGBDRO CCn1cc(CN(C)Cc2cc([N+](=O)[O-])ccc2OC(C)C)cn1 ZINC000522245511 459230146 /nfs/dbraw/zinc/23/01/46/459230146.db2.gz LRTIYJDFYLZXID-UHFFFAOYSA-N 1 0 332.404 3.230 20 5 EGBDRO C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000481094513 459233423 /nfs/dbraw/zinc/23/34/23/459233423.db2.gz QHHVIPWETMBSBG-FRFSOERESA-N 1 0 336.432 3.139 20 5 EGBDRO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000481125692 459235239 /nfs/dbraw/zinc/23/52/39/459235239.db2.gz LMKTYXFVSFXHAL-KFWWJZLASA-N 1 0 336.432 3.139 20 5 EGBDRO C[C@H](NC(=O)C[C@@H]1[NH2+]Cc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000595250465 459263136 /nfs/dbraw/zinc/26/31/36/459263136.db2.gz STKVBPXPOPLXKY-SJCJKPOMSA-N 1 0 325.368 3.007 20 5 EGBDRO CCCN(CC[NH+]1CCCCC1)C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000568494673 459297247 /nfs/dbraw/zinc/29/72/47/459297247.db2.gz YIUJLXBCXPUATA-INIZCTEOSA-N 1 0 347.459 3.423 20 5 EGBDRO O=[N+]([O-])c1cccc(CC[NH2+]CCCc2ccc3c(c2)CCO3)c1 ZINC000482239414 459298252 /nfs/dbraw/zinc/29/82/52/459298252.db2.gz OBMNGPXJQQHDDT-UHFFFAOYSA-N 1 0 326.396 3.295 20 5 EGBDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000523669498 459321309 /nfs/dbraw/zinc/32/13/09/459321309.db2.gz BGKCWQQJMIVBAG-INIZCTEOSA-N 1 0 333.432 3.288 20 5 EGBDRO Cc1cc(N2CC[C@H]3CC[NH2+][C@@H]3C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000591439025 459380731 /nfs/dbraw/zinc/38/07/31/459380731.db2.gz QLEVQBSNZZCDEU-ZYHUDNBSSA-N 1 0 329.322 3.110 20 5 EGBDRO COc1cc(C[NH2+]C2CC=CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000591501508 459393221 /nfs/dbraw/zinc/39/32/21/459393221.db2.gz DXWSFWHOLRYZNO-UHFFFAOYSA-N 1 0 328.315 3.056 20 5 EGBDRO C[C@H](CC[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000591730876 459425543 /nfs/dbraw/zinc/42/55/43/459425543.db2.gz SJHKNOWTFLQINN-WBVHZDCISA-N 1 0 344.411 3.118 20 5 EGBDRO CC[C@@H]([NH2+]Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])C1CC1 ZINC000595766480 459432398 /nfs/dbraw/zinc/43/23/98/459432398.db2.gz WICHXYPTANATLX-LLVKDONJSA-N 1 0 330.331 3.483 20 5 EGBDRO CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000569553717 459470321 /nfs/dbraw/zinc/47/03/21/459470321.db2.gz POLIKUUSHZCJRM-FGTMMUONSA-N 1 0 345.443 3.031 20 5 EGBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2C[C@H](c3ccccc3)[C@H]3CCCC[C@H]32)n1 ZINC000485881967 459475180 /nfs/dbraw/zinc/47/51/80/459475180.db2.gz HMILBLRKTJVBMQ-KZNAEPCWSA-N 1 0 340.427 3.450 20 5 EGBDRO CCCN(C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C)C1 ZINC000591976848 459501801 /nfs/dbraw/zinc/50/18/01/459501801.db2.gz SMPUUJCMWFTJMG-GDBMZVCRSA-N 1 0 348.447 3.090 20 5 EGBDRO O=[N+]([O-])c1cccc(Br)c1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000596082863 459513252 /nfs/dbraw/zinc/51/32/52/459513252.db2.gz OLDQNUPJRFZWIL-QWRGUYRKSA-N 1 0 340.221 3.396 20 5 EGBDRO CCC[C@H](C)[C@@H]1CCC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000486789487 459519583 /nfs/dbraw/zinc/51/95/83/459519583.db2.gz SPYYRWFNWBEWRO-YOEHRIQHSA-N 1 0 333.432 3.458 20 5 EGBDRO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@H+](CC4=CCCC4)CC3)nc2c1 ZINC000592101453 459524796 /nfs/dbraw/zinc/52/47/96/459524796.db2.gz ASSSCBIJXCPGIC-UHFFFAOYSA-N 1 0 341.415 3.094 20 5 EGBDRO Cc1cc(NCC2([NH+]3CCCC3)CCOCC2)c([N+](=O)[O-])s1 ZINC000596115838 459527014 /nfs/dbraw/zinc/52/70/14/459527014.db2.gz WJTHWXZEYIJSBF-UHFFFAOYSA-N 1 0 325.434 3.022 20 5 EGBDRO CCOc1cc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCOC2)ccc1[N+](=O)[O-] ZINC000592134902 459531586 /nfs/dbraw/zinc/53/15/86/459531586.db2.gz SFAIMBXVKATJEG-HZPDHXFCSA-N 1 0 334.416 3.385 20 5 EGBDRO C[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)CCC(C)(C)C ZINC000592145529 459536323 /nfs/dbraw/zinc/53/63/23/459536323.db2.gz XPMVGGWYUGJRMM-UHFFFAOYSA-N 1 0 335.404 3.261 20 5 EGBDRO C[C@@H](C(=O)NCC(C)(C)[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000562387011 459551481 /nfs/dbraw/zinc/55/14/81/459551481.db2.gz GOGJNWMUQYVGDX-CQSZACIVSA-N 1 0 333.432 3.079 20 5 EGBDRO CC[C@@H](CO)[N@H+](CCOc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000542517457 459564132 /nfs/dbraw/zinc/56/41/32/459564132.db2.gz BDKTWIAVZLXSBT-KRWDZBQOSA-N 1 0 344.411 3.247 20 5 EGBDRO [NH3+]C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)CC1 ZINC000592285163 459570923 /nfs/dbraw/zinc/57/09/23/459570923.db2.gz ATDVDHSYBLSGQK-UHFFFAOYSA-N 1 0 349.456 3.193 20 5 EGBDRO CC(C)n1cc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cn1 ZINC000542575021 459572747 /nfs/dbraw/zinc/57/27/47/459572747.db2.gz YHQMINMZGNKRFS-OLZOCXBDSA-N 1 0 345.403 3.050 20 5 EGBDRO Cc1cnc(N2CCC([NH2+]Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000596252852 459575887 /nfs/dbraw/zinc/57/58/87/459575887.db2.gz UJLWXMYTWDRXGK-UHFFFAOYSA-N 1 0 326.400 3.057 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(OCC[N@H+](C)Cc2ccc(F)cc2)c1 ZINC000592361235 459579950 /nfs/dbraw/zinc/57/99/50/459579950.db2.gz UZAPLVIWAZAGGT-UHFFFAOYSA-N 1 0 334.347 3.253 20 5 EGBDRO COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000542702331 459583559 /nfs/dbraw/zinc/58/35/59/459583559.db2.gz XCGMHSNECXEHMA-RHCWDJOHSA-N 1 0 332.400 3.320 20 5 EGBDRO COC(=O)[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@H]1C ZINC000592515608 459620935 /nfs/dbraw/zinc/62/09/35/459620935.db2.gz KNAQZUAKJFKCDQ-IUODEOHRSA-N 1 0 344.367 3.096 20 5 EGBDRO C[C@@H](C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccc(F)cc1 ZINC000527356194 459634924 /nfs/dbraw/zinc/63/49/24/459634924.db2.gz KWXLWGZWUVWROH-AWEZNQCLSA-N 1 0 344.390 3.055 20 5 EGBDRO Cc1cc(N(C)CC2=CCCOC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000596465874 459645916 /nfs/dbraw/zinc/64/59/16/459645916.db2.gz MVAIBBBOCHEJDF-UHFFFAOYSA-N 1 0 340.383 3.143 20 5 EGBDRO C[C@@H](CC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)[C@H]1CCC[NH2+]C1 ZINC000573327489 459660910 /nfs/dbraw/zinc/66/09/10/459660910.db2.gz MSXFXKWTALMVFK-HOCLYGCPSA-N 1 0 345.443 3.112 20 5 EGBDRO C[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]2CCCC[C@@H]21 ZINC000501005018 459706104 /nfs/dbraw/zinc/70/61/04/459706104.db2.gz CSXVPNJEIQDTHN-IIAWOOMASA-N 1 0 331.416 3.434 20 5 EGBDRO Cc1ccc(NC(=O)NCC2CC[NH+](CC3CC3)CC2)cc1[N+](=O)[O-] ZINC000596636547 459708146 /nfs/dbraw/zinc/70/81/46/459708146.db2.gz NYDHSGUVWPYAJF-UHFFFAOYSA-N 1 0 346.431 3.147 20 5 EGBDRO CN(CCc1cccc([N+](=O)[O-])c1)CC(=O)NCCC1CCCCC1 ZINC000573700510 459721069 /nfs/dbraw/zinc/72/10/69/459721069.db2.gz QRUYIQKOTDHSSH-UHFFFAOYSA-N 1 0 347.459 3.156 20 5 EGBDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000596676942 459723174 /nfs/dbraw/zinc/72/31/74/459723174.db2.gz KHDWSCWVUYEOLW-CQSZACIVSA-N 1 0 348.447 3.002 20 5 EGBDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000596680435 459725802 /nfs/dbraw/zinc/72/58/02/459725802.db2.gz OVNIODPCOSMPCZ-ZDUSSCGKSA-N 1 0 348.447 3.002 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC000596787083 459762706 /nfs/dbraw/zinc/76/27/06/459762706.db2.gz CZEYBAGEOWHADJ-CQSZACIVSA-N 1 0 348.447 3.454 20 5 EGBDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000598266489 459844338 /nfs/dbraw/zinc/84/43/38/459844338.db2.gz YRNAFXUKRCWCFG-CYBMUJFWSA-N 1 0 345.399 3.191 20 5 EGBDRO CC[C@H]1CCCC[N@@H+]1CCNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000587977925 459897124 /nfs/dbraw/zinc/89/71/24/459897124.db2.gz ZQTSCYABAXUATG-NSHDSACASA-N 1 0 335.433 3.276 20 5 EGBDRO C[N@@H+](Cc1ccccc1)CC1CCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000608973393 459898127 /nfs/dbraw/zinc/89/81/27/459898127.db2.gz OHRLGUFQTXHEQT-UHFFFAOYSA-N 1 0 340.427 3.338 20 5 EGBDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(c2c(F)cccc2[N+](=O)[O-])C1 ZINC000587987449 459898261 /nfs/dbraw/zinc/89/82/61/459898261.db2.gz VEKUHDBIXJIVNW-OAHLLOKOSA-N 1 0 329.375 3.445 20 5 EGBDRO O=[N+]([O-])c1cnc(NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)nc1 ZINC000546189405 459903054 /nfs/dbraw/zinc/90/30/54/459903054.db2.gz DZGFTDAOGOWOIU-OAHLLOKOSA-N 1 0 347.806 3.287 20 5 EGBDRO COc1ccc2c(c1)CCC[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C2 ZINC000609133943 459908029 /nfs/dbraw/zinc/90/80/29/459908029.db2.gz NOBYGAOOKPECGO-UHFFFAOYSA-N 1 0 342.395 3.431 20 5 EGBDRO C[NH+](C)[C@H]1CCCN(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602453586 459945498 /nfs/dbraw/zinc/94/54/98/459945498.db2.gz IGLHYDTUCTUZLV-ZDUSSCGKSA-N 1 0 331.338 3.140 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]([NH+]3CCCCC3)C2)c2ccncc21 ZINC000609350659 459949268 /nfs/dbraw/zinc/94/92/68/459949268.db2.gz GVURHVSEPUAZDX-CQSZACIVSA-N 1 0 326.400 3.208 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3cccc4ncccc34)C2)nc1 ZINC000602476204 459957265 /nfs/dbraw/zinc/95/72/65/459957265.db2.gz WIXGIHDOXMBEJT-HNNXBMFYSA-N 1 0 349.394 3.224 20 5 EGBDRO C[N@@H+](Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C[C@@H]1CCC[C@H]1O ZINC000602485386 459963037 /nfs/dbraw/zinc/96/30/37/459963037.db2.gz ONURUHGFCLKSPY-SMDDNHRTSA-N 1 0 332.322 3.206 20 5 EGBDRO C[C@H]1CC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1CO ZINC000598678585 459989147 /nfs/dbraw/zinc/98/91/47/459989147.db2.gz ZGNWMFCEAUHZMJ-ZFWWWQNUSA-N 1 0 330.384 3.305 20 5 EGBDRO CS[C@H](C)C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602569966 460002352 /nfs/dbraw/zinc/00/23/52/460002352.db2.gz FFFIQMUZBPMCAT-ZCFIWIBFSA-N 1 0 325.253 3.260 20 5 EGBDRO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602569723 460002361 /nfs/dbraw/zinc/00/23/61/460002361.db2.gz RIJNBSBCNAJLSS-YGRLFVJLSA-N 1 0 343.349 3.186 20 5 EGBDRO CC(C)C[N@@H+]1CCC[C@H](CNCc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602575903 460004620 /nfs/dbraw/zinc/00/46/20/460004620.db2.gz YIYMGZKEWDIEBX-CQSZACIVSA-N 1 0 346.431 3.194 20 5 EGBDRO C[C@H]([NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)[C@H]1CCCCO1 ZINC000602587170 460011629 /nfs/dbraw/zinc/01/16/29/460011629.db2.gz PICBTBYYCWYRRG-GZMMTYOYSA-N 1 0 349.250 3.466 20 5 EGBDRO CC(C)c1ccc(C(=O)NCc2ccc(C[NH3+])cc2F)cc1[N+](=O)[O-] ZINC000593917397 460017003 /nfs/dbraw/zinc/01/70/03/460017003.db2.gz VLLXUQGGTUOWNX-UHFFFAOYSA-N 1 0 345.374 3.246 20 5 EGBDRO C[NH+](C)CC[C@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C(C)(C)C ZINC000609861085 460030618 /nfs/dbraw/zinc/03/06/18/460030618.db2.gz MFYMQUUOZVPOEV-AWEZNQCLSA-N 1 0 341.839 3.344 20 5 EGBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000609876829 460032792 /nfs/dbraw/zinc/03/27/92/460032792.db2.gz GTSCLHAQBXTCTI-CYBMUJFWSA-N 1 0 347.440 3.414 20 5 EGBDRO O=[N+]([O-])c1sc(C[NH2+][C@H](CO)CC2CCC2)cc1Br ZINC000602639175 460036202 /nfs/dbraw/zinc/03/62/02/460036202.db2.gz VMZPXQAZJPGBNY-VIFPVBQESA-N 1 0 349.250 3.060 20 5 EGBDRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000589162431 460041882 /nfs/dbraw/zinc/04/18/82/460041882.db2.gz VCCBRQLWCWJTTH-UWWPHRKUSA-N 1 0 331.416 3.114 20 5 EGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH+]1CC([C@H]2CCOC2)C1 ZINC000602650969 460043030 /nfs/dbraw/zinc/04/30/30/460043030.db2.gz UEINKQLZWHQPBL-NSHDSACASA-N 1 0 330.306 3.082 20 5 EGBDRO C[C@@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)[NH+]1CCC(C)CC1 ZINC000610062135 460057301 /nfs/dbraw/zinc/05/73/01/460057301.db2.gz PZPKNZRXSWNCDU-HNNXBMFYSA-N 1 0 347.459 3.109 20 5 EGBDRO CO[C@@H]([C@@H](C)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)C1CC1 ZINC000602679662 460061528 /nfs/dbraw/zinc/06/15/28/460061528.db2.gz HQVSMSUBLSOHCW-HQJQHLMTSA-N 1 0 349.250 3.322 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H](C3CC3)C3CCC3)CC2)cn1 ZINC000602687233 460066683 /nfs/dbraw/zinc/06/66/83/460066683.db2.gz IGHZCOZNHSITRF-SFHVURJKSA-N 1 0 330.432 3.127 20 5 EGBDRO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N[C@H](C)C[NH+](CC)CC ZINC000610129665 460067915 /nfs/dbraw/zinc/06/79/15/460067915.db2.gz AJRVYUVKDWEZKG-LLVKDONJSA-N 1 0 341.383 3.053 20 5 EGBDRO C[C@@H](O)C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000610161199 460072314 /nfs/dbraw/zinc/07/23/14/460072314.db2.gz OHJQSWIIPYALIS-MRXNPFEDSA-N 1 0 344.411 3.247 20 5 EGBDRO CC(C)c1ccc(C(=O)N2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)cc1[N+](=O)[O-] ZINC000576148637 460079350 /nfs/dbraw/zinc/07/93/50/460079350.db2.gz ONJNNCHTIGDRRR-LSDHHAIUSA-N 1 0 331.416 3.027 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594098249 460101109 /nfs/dbraw/zinc/10/11/09/460101109.db2.gz RYQDLPAKUPMHMV-ZBFHGGJFSA-N 1 0 346.431 3.350 20 5 EGBDRO CCc1nc2c(s1)[C@H]([N@H+](C)CCn1c(C)ncc1[N+](=O)[O-])CCC2 ZINC000602797959 460131870 /nfs/dbraw/zinc/13/18/70/460131870.db2.gz SYCRMDZJCWNETD-CYBMUJFWSA-N 1 0 349.460 3.128 20 5 EGBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000610392401 460140635 /nfs/dbraw/zinc/14/06/35/460140635.db2.gz HOHZJRCZFWCFMG-ZFWWWQNUSA-N 1 0 345.399 3.157 20 5 EGBDRO O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000594199304 460147345 /nfs/dbraw/zinc/14/73/45/460147345.db2.gz JKPJJDILEPNAPI-HUUCEWRRSA-N 1 0 343.383 3.088 20 5 EGBDRO Cc1c([C@@H](C)[NH2+]C[C@@H]2CCCN2CC(F)F)cccc1[N+](=O)[O-] ZINC000599064569 460147887 /nfs/dbraw/zinc/14/78/87/460147887.db2.gz CBIMCEHAIDJKQE-OLZOCXBDSA-N 1 0 327.375 3.283 20 5 EGBDRO CSc1ccc(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000594203845 460149862 /nfs/dbraw/zinc/14/98/62/460149862.db2.gz USRMGVAZCSUXAM-KGLIPLIRSA-N 1 0 349.456 3.063 20 5 EGBDRO CCOc1ccc([C@@H](C)NC[C@@H]2CCCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000599070620 460150387 /nfs/dbraw/zinc/15/03/87/460150387.db2.gz MBEIKPSISYKULF-CABCVRRESA-N 1 0 335.448 3.376 20 5 EGBDRO CC[C@@H](c1cccc(OC)c1)[N@H+](C)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602833353 460151194 /nfs/dbraw/zinc/15/11/94/460151194.db2.gz PDAXUZDANPGTSQ-INIZCTEOSA-N 1 0 332.404 3.191 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H]1c1ccc(F)cc1C ZINC000602837315 460152486 /nfs/dbraw/zinc/15/24/86/460152486.db2.gz MDGFWXMAUHQANJ-INIZCTEOSA-N 1 0 332.379 3.384 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1Cc2ccccc2NC1=O ZINC000599075101 460153219 /nfs/dbraw/zinc/15/32/19/460153219.db2.gz SXKIYPIFJLSPTF-PXAZEXFGSA-N 1 0 325.368 3.117 20 5 EGBDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)n1 ZINC000619075606 460263187 /nfs/dbraw/zinc/26/31/87/460263187.db2.gz KCOGBIYCMLRENH-UHFFFAOYSA-N 1 0 325.372 3.110 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)n1cc(CC[NH+]2CCCCC2)nn1 ZINC000603250950 460272921 /nfs/dbraw/zinc/27/29/21/460272921.db2.gz MXDWWZXDXLKVBU-HNNXBMFYSA-N 1 0 343.431 3.132 20 5 EGBDRO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC[C@H]1C(=O)OC(C)(C)C ZINC000599586902 460280765 /nfs/dbraw/zinc/28/07/65/460280765.db2.gz KDTCZLBRMDVWEX-CZUORRHYSA-N 1 0 334.416 3.395 20 5 EGBDRO Cc1nccc([C@H]2CCC[N@H+](CCc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000603834317 460344716 /nfs/dbraw/zinc/34/47/16/460344716.db2.gz QAWRGYCKFARDGQ-INIZCTEOSA-N 1 0 326.400 3.115 20 5 EGBDRO CC[N@H+](CCOc1ccccc1[N+](=O)[O-])Cc1ccc2c(c1)OCO2 ZINC000603846530 460346882 /nfs/dbraw/zinc/34/68/82/460346882.db2.gz ISWHNAUMWVXLPJ-UHFFFAOYSA-N 1 0 344.367 3.224 20 5 EGBDRO CC[NH+](CC)CCOc1ccccc1CNc1cccnc1[N+](=O)[O-] ZINC000603857482 460349435 /nfs/dbraw/zinc/34/94/35/460349435.db2.gz TXTKYGBIOGIACV-UHFFFAOYSA-N 1 0 344.415 3.323 20 5 EGBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@H]3C3CCOCC3)nc2c1 ZINC000611483734 460374078 /nfs/dbraw/zinc/37/40/78/460374078.db2.gz PUTSTUPLOFXXEN-HNNXBMFYSA-N 1 0 331.372 3.127 20 5 EGBDRO CCCC(=O)NC1CC[NH+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000611515334 460384317 /nfs/dbraw/zinc/38/43/17/460384317.db2.gz JTCIKXVUIUGAPS-AWEZNQCLSA-N 1 0 333.432 3.345 20 5 EGBDRO Cc1ccncc1[C@H](C)[NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000611938956 460492218 /nfs/dbraw/zinc/49/22/18/460492218.db2.gz LYSBQGLNCYBIIP-UONOGXRCSA-N 1 0 342.399 3.284 20 5 EGBDRO Cc1ccc(CN(CCO)Cc2nc3cc([N+](=O)[O-])ccc3o2)cc1 ZINC000611941641 460493199 /nfs/dbraw/zinc/49/31/99/460493199.db2.gz BXGZGBGBMTZDNR-UHFFFAOYSA-N 1 0 341.367 3.039 20 5 EGBDRO C[C@H](NC(=O)c1c(F)cccc1[N+](=O)[O-])[C@H](c1ccccc1)[NH+](C)C ZINC000601456731 460815304 /nfs/dbraw/zinc/81/53/04/460815304.db2.gz VPMQNQABLXISMF-YVEFUNNKSA-N 1 0 345.374 3.155 20 5 EGBDRO Cc1ncc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)s1 ZINC000601936366 460951307 /nfs/dbraw/zinc/95/13/07/460951307.db2.gz SNLMGNPKGBWFOV-NXEZZACHSA-N 1 0 334.401 3.038 20 5 EGBDRO C[C@H](CO[C@@H]1CCOC1)[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000130463247 534135427 /nfs/dbraw/zinc/13/54/27/534135427.db2.gz BXSLTZGICOQMJQ-JOCBIADPSA-N 1 0 348.443 3.090 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)c1 ZINC000173090760 534318356 /nfs/dbraw/zinc/31/83/56/534318356.db2.gz FHUONOANAMKSNV-QGZVFWFLSA-N 1 0 333.432 3.144 20 5 EGBDRO CC[N@H+](C)[C@H](C(=O)N(C)Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000171477132 527860949 /nfs/dbraw/zinc/86/09/49/527860949.db2.gz UMIKZBLKARVLLQ-SFHVURJKSA-N 1 0 341.411 3.246 20 5 EGBDRO CC(C)c1ccc(C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000189881693 528065556 /nfs/dbraw/zinc/06/55/56/528065556.db2.gz STYVZCHGFHBGMZ-HNNXBMFYSA-N 1 0 345.443 3.276 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)CCCn1ccnc1 ZINC000130388529 528209933 /nfs/dbraw/zinc/20/99/33/528209933.db2.gz SMHGEURYUOJTHX-UHFFFAOYSA-N 1 0 332.404 3.101 20 5 EGBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)c2cn(C)nc2C)cc1[N+](=O)[O-] ZINC000179419490 528598592 /nfs/dbraw/zinc/59/85/92/528598592.db2.gz KJWFRNLLSRNFTI-VXGBXAGGSA-N 1 0 332.404 3.447 20 5 EGBDRO CC(C)CC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000351492415 534929293 /nfs/dbraw/zinc/92/92/93/534929293.db2.gz KBWGMOGBEKENJI-XJKSGUPXSA-N 1 0 333.432 3.388 20 5 EGBDRO CCC1(CC)[C@H](OC)C[C@@H]1[NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000178365646 535280379 /nfs/dbraw/zinc/28/03/79/535280379.db2.gz FQEPVUSABIZGML-VBNZEHGJSA-N 1 0 349.431 3.105 20 5 EGBDRO COc1ccc(C[NH2+]CCc2nc3c(cccc3C)o2)cc1[N+](=O)[O-] ZINC000266305137 536891823 /nfs/dbraw/zinc/89/18/23/536891823.db2.gz NUUPCMQBGXWRHV-UHFFFAOYSA-N 1 0 341.367 3.385 20 5 EGBDRO Cc1cc(C)cc([C@@H](C)[NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])c1 ZINC000182877488 547085486 /nfs/dbraw/zinc/08/54/86/547085486.db2.gz BBEGJASWJZKHJM-CYBMUJFWSA-N 1 0 327.384 3.161 20 5 EGBDRO C[C@@H](CNc1ccc(Br)cc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000219436769 547241788 /nfs/dbraw/zinc/24/17/88/547241788.db2.gz KHLBAWLDLCBUIF-VIFPVBQESA-N 1 0 328.210 3.252 20 5 EGBDRO C[C@H](Cc1cnccn1)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000726605820 574563602 /nfs/dbraw/zinc/56/36/02/574563602.db2.gz LALPCVZIXMALPL-CYBMUJFWSA-N 1 0 338.367 3.366 20 5 EGBDRO CC[N@H+](Cn1cc(C)n(-c2ccccc2[N+](=O)[O-])c1=O)C1CCCC1 ZINC000728706532 574767866 /nfs/dbraw/zinc/76/78/66/574767866.db2.gz UBCMMZOWLXAOEH-UHFFFAOYSA-N 1 0 344.415 3.078 20 5 EGBDRO O=C(NCCCCC[NH+]1CCCCC1)c1cc([N+](=O)[O-])ccc1F ZINC000732020226 575230178 /nfs/dbraw/zinc/23/01/78/575230178.db2.gz FZGWQNXGJYVYEL-UHFFFAOYSA-N 1 0 337.395 3.120 20 5 EGBDRO CNc1ccc(C(=O)OCc2ncc(C)c(OC)c2C)cc1[N+](=O)[O-] ZINC000736737035 576016093 /nfs/dbraw/zinc/01/60/93/576016093.db2.gz ZRNFPKNCYUUVBA-UHFFFAOYSA-N 1 0 345.355 3.014 20 5 EGBDRO CC(=O)c1ccc(N2CCC(C[NH+]3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000744171735 576822274 /nfs/dbraw/zinc/82/22/74/576822274.db2.gz XAZVCFIVJUPXRL-UHFFFAOYSA-N 1 0 345.443 3.500 20 5 EGBDRO COC1CCN(C(C)(C)C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000873048339 1297246783 /nfs/dbraw/zinc/24/67/83/1297246783.db2.gz XMDHCBMDVFWZAX-UHFFFAOYSA-N 1 0 349.475 3.191 20 5 EGBDRO CC(C)(C)[NH+]1CCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000048439573 1291605555 /nfs/dbraw/zinc/60/55/55/1291605555.db2.gz DKTZIQSXURHLKI-UHFFFAOYSA-N 1 0 342.237 3.278 20 5 EGBDRO C[NH+](C)[C@@H](CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000049487943 1291630126 /nfs/dbraw/zinc/63/01/26/1291630126.db2.gz GDAJGNUKHDWWCO-HGZMWJMZSA-N 1 0 339.395 3.027 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2ncn(C[N@@H+]3CCC[C@@H]3C3CCCC3)n2)c1 ZINC000055034820 1291772847 /nfs/dbraw/zinc/77/28/47/1291772847.db2.gz YNDGFLYTEKXTIG-QGZVFWFLSA-N 1 0 341.415 3.465 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ncn(C[N@@H+]3CCC[C@H]3C3CCCC3)n2)cc1 ZINC000055034815 1291772963 /nfs/dbraw/zinc/77/29/63/1291772963.db2.gz UJHIOEREJKLONQ-KRWDZBQOSA-N 1 0 341.415 3.465 20 5 EGBDRO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cccnc1Cl ZINC000056196999 1291807685 /nfs/dbraw/zinc/80/76/85/1291807685.db2.gz AVHQCUINPKPENI-QWRGUYRKSA-N 1 0 348.790 3.321 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ncn(C[N@@H+]3CCC[C@H]3C3CCC3)n2)cc1 ZINC000102885699 1292984112 /nfs/dbraw/zinc/98/41/12/1292984112.db2.gz FSDAWCUHPLGVLJ-INIZCTEOSA-N 1 0 327.388 3.075 20 5 EGBDRO CC1(C)C[C@H](C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCO1 ZINC000834909374 1293172895 /nfs/dbraw/zinc/17/28/95/1293172895.db2.gz KSERHWNHXGLMOY-OAHLLOKOSA-N 1 0 347.459 3.358 20 5 EGBDRO C[NH+](C)Cc1cccc(CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC000123414691 1293443047 /nfs/dbraw/zinc/44/30/47/1293443047.db2.gz GIJYBRXOYXMVDL-UHFFFAOYSA-N 1 0 347.802 3.240 20 5 EGBDRO [NH3+]C[C@@H](Nc1ncc([N+](=O)[O-])cc1Br)C1CCCCC1 ZINC000155847003 1294115939 /nfs/dbraw/zinc/11/59/39/1294115939.db2.gz DNTYXBOQGIWZKY-GFCCVEGCSA-N 1 0 343.225 3.072 20 5 EGBDRO [NH3+]CC[C@@H]1CCCCN1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000157891002 1294189647 /nfs/dbraw/zinc/18/96/47/1294189647.db2.gz KZTLBZOURHPDIV-LBPRGKRZSA-N 1 0 342.237 3.061 20 5 EGBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000157887255 1294190005 /nfs/dbraw/zinc/19/00/05/1294190005.db2.gz DGMWSWWSNWODDH-MFKMUULPSA-N 1 0 342.237 3.059 20 5 EGBDRO CC(C)[C@H]([NH3+])CCN(C)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000157912940 1294191109 /nfs/dbraw/zinc/19/11/09/1294191109.db2.gz CEQDPUFBVCABSP-CYBMUJFWSA-N 1 0 344.253 3.163 20 5 EGBDRO C[C@](O)(C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccco1 ZINC000174529594 1294506905 /nfs/dbraw/zinc/50/69/05/1294506905.db2.gz OTPHMPVENJPHOM-SFHVURJKSA-N 1 0 342.351 3.445 20 5 EGBDRO C[C@@H]([NH2+]CC(=O)N1CCCc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000178649873 1294748204 /nfs/dbraw/zinc/74/82/04/1294748204.db2.gz FFXOWEHYNQSJKU-CQSZACIVSA-N 1 0 339.395 3.225 20 5 EGBDRO C[N@@H+](Cc1cccc([N+](=O)[O-])c1Br)CC1CCOCC1 ZINC000234298062 1296179641 /nfs/dbraw/zinc/17/96/41/1296179641.db2.gz KAACYGGOFIDXOL-UHFFFAOYSA-N 1 0 343.221 3.216 20 5 EGBDRO Cc1cc(F)cc(-c2nc(C3C[C@H]4CC[C@@H](C3)[NH2+]4)no2)c1[N+](=O)[O-] ZINC000871796135 1296538257 /nfs/dbraw/zinc/53/82/57/1296538257.db2.gz JWHIPLJQFJTNDL-CLYYMRHHSA-N 1 0 332.335 3.090 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCC(=O)NC(C)(C)C ZINC000872046914 1296697262 /nfs/dbraw/zinc/69/72/62/1296697262.db2.gz OAZWLFKVNLFQDW-NSHDSACASA-N 1 0 339.461 3.272 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCn2ccnc2C1 ZINC000872063693 1296710885 /nfs/dbraw/zinc/71/08/85/1296710885.db2.gz RZPKKRCBVVZUGK-VXGBXAGGSA-N 1 0 332.429 3.179 20 5 EGBDRO CO[C@@H]1COCC[C@H]1C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872074909 1296719028 /nfs/dbraw/zinc/71/90/28/1296719028.db2.gz KBJZRPRBBFSFKK-SLEUVZQESA-N 1 0 340.445 3.019 20 5 EGBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)[C@@]12CCCO2 ZINC000873105064 1297274773 /nfs/dbraw/zinc/27/47/73/1297274773.db2.gz SJJPVMBHLGQJGM-KSZLIROESA-N 1 0 334.416 3.028 20 5 EGBDRO Cc1c(C[NH2+]C[C@@]2(CO)C[C@@H]2c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000873114601 1297276113 /nfs/dbraw/zinc/27/61/13/1297276113.db2.gz MHRFPMLYBLFYIG-IEBWSBKVSA-N 1 0 344.386 3.298 20 5 EGBDRO C[C@H](C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000588613073 1298092623 /nfs/dbraw/zinc/09/26/23/1298092623.db2.gz BWMWFDJQOICVJB-FNOHHLHBSA-N 1 0 335.404 3.111 20 5 EGBDRO O=[N+]([O-])c1cc(Br)ccc1N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000711707041 1298262790 /nfs/dbraw/zinc/26/27/90/1298262790.db2.gz MXEKKIFBNMNNSK-STQMWFEESA-N 1 0 326.194 3.054 20 5 EGBDRO O=[N+]([O-])c1cc(Br)ccc1N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000711707036 1298262812 /nfs/dbraw/zinc/26/28/12/1298262812.db2.gz MXEKKIFBNMNNSK-CHWSQXEVSA-N 1 0 326.194 3.054 20 5 EGBDRO CC[NH+](CC)CCO[C@H]1CCN(c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000747226410 1298746284 /nfs/dbraw/zinc/74/62/84/1298746284.db2.gz HMXARJQVINKVDJ-AWEZNQCLSA-N 1 0 341.839 3.185 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCC[C@@H](c2ccnn2C)C1 ZINC000876626610 1298879680 /nfs/dbraw/zinc/87/96/80/1298879680.db2.gz DBDCWIZMMNMNKN-OAHLLOKOSA-N 1 0 328.416 3.325 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CCC(OC[C@@H]2CCCO2)CC1 ZINC000876650799 1298899041 /nfs/dbraw/zinc/89/90/41/1298899041.db2.gz XSKMDVHUUDOQIF-KRWDZBQOSA-N 1 0 348.443 3.372 20 5 EGBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]C[C@@H]3COc4ccccc4C3)nc2c1 ZINC000876876234 1299046790 /nfs/dbraw/zinc/04/67/90/1299046790.db2.gz BVQVJISUHRTIKC-GFCCVEGCSA-N 1 0 339.351 3.077 20 5 EGBDRO CC(C)(C)[C@H](Cn1ccnc1)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000876956272 1299086472 /nfs/dbraw/zinc/08/64/72/1299086472.db2.gz IPELHCMNSIOJKA-HNNXBMFYSA-N 1 0 343.387 3.137 20 5 EGBDRO C[NH+](C)C[C@@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000749396807 1299207170 /nfs/dbraw/zinc/20/71/70/1299207170.db2.gz ATQWKRQKWIAIRH-NSHDSACASA-N 1 0 340.811 3.054 20 5 EGBDRO CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000877258927 1299226418 /nfs/dbraw/zinc/22/64/18/1299226418.db2.gz VWPDNGHVWRPHMI-INIZCTEOSA-N 1 0 339.823 3.085 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCCO[C@H](c3ccccc3)C2)c1 ZINC000749681861 1299253862 /nfs/dbraw/zinc/25/38/62/1299253862.db2.gz BHSQKSAUNZOSLF-MOPGFXCFSA-N 1 0 342.395 3.092 20 5 EGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@H+]1CCC[C@@H](CO)CC1 ZINC000877554570 1299393622 /nfs/dbraw/zinc/39/36/22/1299393622.db2.gz KMLFGZGSLQIOFG-LLVKDONJSA-N 1 0 332.322 3.208 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1nnc(C[N@@H+]2CCC[C@H]3CCC[C@@H]32)o1 ZINC000878134973 1299770301 /nfs/dbraw/zinc/77/03/01/1299770301.db2.gz WDJBPZMZIXGPQK-OCCSQVGLSA-N 1 0 328.372 3.409 20 5 EGBDRO CCC1(C)CC[NH+](CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)CC1 ZINC000752788279 1299793971 /nfs/dbraw/zinc/79/39/71/1299793971.db2.gz GGMFGQIKTYYTSX-UHFFFAOYSA-N 1 0 346.431 3.306 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](C)c1ccccc1C(F)(F)F ZINC000878367259 1299950231 /nfs/dbraw/zinc/95/02/31/1299950231.db2.gz OHTUEQSTKMGATN-SNVBAGLBSA-N 1 0 342.321 3.469 20 5 EGBDRO CC(C)(C)SCCC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000878524488 1300051941 /nfs/dbraw/zinc/05/19/41/1300051941.db2.gz QVDMUMGBRFBAMC-UHFFFAOYSA-N 1 0 326.466 3.350 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1nnc(C[N@@H+]2CC[C@@H](C3CCC3)C2)o1 ZINC000878715703 1300159510 /nfs/dbraw/zinc/15/95/10/1300159510.db2.gz CCVYYVKRCHYPRX-CYBMUJFWSA-N 1 0 328.372 3.267 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCC3(CCSCC3)CC2)c1 ZINC000879200904 1300425908 /nfs/dbraw/zinc/42/59/08/1300425908.db2.gz UCFBGCXYSCZLCT-INIZCTEOSA-N 1 0 336.457 3.237 20 5 EGBDRO CC(C)C[C@@H]1CCCC[N@@H+]1Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000757614053 1300694422 /nfs/dbraw/zinc/69/44/22/1300694422.db2.gz OZVRTEGEFYGZOU-ZDUSSCGKSA-N 1 0 333.388 3.361 20 5 EGBDRO Cc1cc(F)cc(C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000758416729 1300877980 /nfs/dbraw/zinc/87/79/80/1300877980.db2.gz FBFCEFQGSOORGE-QWHCGFSZSA-N 1 0 337.395 3.035 20 5 EGBDRO C[NH+](C)[C@@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000760078062 1301218019 /nfs/dbraw/zinc/21/80/19/1301218019.db2.gz GQELSOPSQBTNCZ-GFCCVEGCSA-N 1 0 340.811 3.196 20 5 EGBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)c1F ZINC000764541936 1302085419 /nfs/dbraw/zinc/08/54/19/1302085419.db2.gz SFVATRPNTDGWIQ-CQSZACIVSA-N 1 0 339.411 3.139 20 5 EGBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](C)Cc1ccco1 ZINC000764773411 1302131958 /nfs/dbraw/zinc/13/19/58/1302131958.db2.gz HVQYICQRPRXIAF-CHWSQXEVSA-N 1 0 331.372 3.126 20 5 EGBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000765387618 1302259931 /nfs/dbraw/zinc/25/99/31/1302259931.db2.gz XDFZCLMMOHOQRP-RDJZCZTQSA-N 1 0 347.459 3.154 20 5 EGBDRO CC[C@@H]1Cc2ccccc2C[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000767884444 1302778869 /nfs/dbraw/zinc/77/88/69/1302778869.db2.gz SQVOUIRXFUBVFS-IEBWSBKVSA-N 1 0 326.396 3.465 20 5 EGBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2c2nc3ccc([N+](=O)[O-])cc3s2)C1 ZINC000768538809 1302929096 /nfs/dbraw/zinc/92/90/96/1302929096.db2.gz GMTBNZCSZGFHPF-BXUZGUMPSA-N 1 0 332.429 3.125 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CC[C@@H](c3c(F)cccc3F)C2)cc1 ZINC000769225501 1303075919 /nfs/dbraw/zinc/07/59/19/1303075919.db2.gz OVWHDHXVGVHXNZ-CXAGYDPISA-N 1 0 348.349 3.396 20 5 EGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H]2CCOC3(CCOCC3)C2)c1 ZINC000769418892 1303109748 /nfs/dbraw/zinc/10/97/48/1303109748.db2.gz QWIUNSUAWMHDAZ-CYBMUJFWSA-N 1 0 340.807 3.066 20 5 EGBDRO CS[C@H]1CN(c2c(C)cc([N+](=O)[O-])cc2Cl)C[C@@H]1[NH+](C)C ZINC000770132050 1303225790 /nfs/dbraw/zinc/22/57/90/1303225790.db2.gz MPFIWTMDYQOLGT-STQMWFEESA-N 1 0 329.853 3.038 20 5 EGBDRO CC[C@@H]([NH2+]Cc1cccnc1[N+](=O)[O-])c1ccc(OC)c(OC)c1 ZINC000886201624 1303392392 /nfs/dbraw/zinc/39/23/92/1303392392.db2.gz LDXCRCJXMSJUAK-CQSZACIVSA-N 1 0 331.372 3.248 20 5 EGBDRO O=[N+]([O-])c1ncccc1C[N@@H+](Cc1ccccc1)C1(CO)CCCC1 ZINC000886226054 1303401620 /nfs/dbraw/zinc/40/16/20/1303401620.db2.gz GVFMGHZTFLNEQN-UHFFFAOYSA-N 1 0 341.411 3.297 20 5 EGBDRO O=[N+]([O-])c1ccc2cnn(C[N@@H+]3CCC[C@H](C[C@@H]4CCOC4)C3)c2c1 ZINC000773261996 1303651505 /nfs/dbraw/zinc/65/15/05/1303651505.db2.gz NSQBDDLNXUILRK-CABCVRRESA-N 1 0 344.415 3.041 20 5 EGBDRO CC1(C)c2ccccc2CC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000773760830 1303736628 /nfs/dbraw/zinc/73/66/28/1303736628.db2.gz OSJFAWKPJRHULH-SFHVURJKSA-N 1 0 326.396 3.422 20 5 EGBDRO COc1cc(NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000774513621 1303818822 /nfs/dbraw/zinc/81/88/22/1303818822.db2.gz DODNXCUFMNKWBE-STQMWFEESA-N 1 0 337.420 3.287 20 5 EGBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)NC1(C[NH+](C)C)CCC1 ZINC000888280854 1304098143 /nfs/dbraw/zinc/09/81/43/1304098143.db2.gz DXKHXEKRFIJWFM-UHFFFAOYSA-N 1 0 340.811 3.162 20 5 EGBDRO CC[N@@H+]1CC[C@@H](CNC(=O)Nc2cc([N+](=O)[O-])c(Cl)cc2C)C1 ZINC000888288135 1304102994 /nfs/dbraw/zinc/10/29/94/1304102994.db2.gz CEJPUACFHBRLPR-NSHDSACASA-N 1 0 340.811 3.020 20 5 EGBDRO C[N@H+](CCCOc1ccc(F)cc1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776274518 1304125265 /nfs/dbraw/zinc/12/52/65/1304125265.db2.gz DTUVZIXUKWXUDV-GOSISDBHSA-N 1 0 348.374 3.168 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCC[C@@H]2Cc2ccccc2)cc1 ZINC000776280459 1304127705 /nfs/dbraw/zinc/12/77/05/1304127705.db2.gz ZVVLXANZWTZPLP-MOPGFXCFSA-N 1 0 326.396 3.335 20 5 EGBDRO C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCc2ccccc2C1 ZINC000776584284 1304174589 /nfs/dbraw/zinc/17/45/89/1304174589.db2.gz KDPMSAMCWGYMFO-OALUTQOASA-N 1 0 326.396 3.118 20 5 EGBDRO CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000776809268 1304202865 /nfs/dbraw/zinc/20/28/65/1304202865.db2.gz QVGPUAQDJXOYOC-HOCLYGCPSA-N 1 0 349.431 3.250 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)c(F)c1 ZINC000778105810 1304397827 /nfs/dbraw/zinc/39/78/27/1304397827.db2.gz HZZXWZLMLDSEAV-RDBSUJKOSA-N 1 0 328.434 3.203 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CC[C@H](COc3ccccc3)C2)cc1 ZINC000780370645 1304682474 /nfs/dbraw/zinc/68/24/74/1304682474.db2.gz NUXNBTWKSBFTJR-HNAYVOBHSA-N 1 0 342.395 3.029 20 5 EGBDRO C[C@H](Nc1nc2ccccn2c1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000781393843 1304823217 /nfs/dbraw/zinc/82/32/17/1304823217.db2.gz HPEJKKFEPSFDJX-KBPBESRZSA-N 1 0 343.431 3.307 20 5 EGBDRO CCC(N)=[NH+]OCc1cc(OC)c(OC[C@@H](C)CC)cc1[N+](=O)[O-] ZINC000781612772 1304848529 /nfs/dbraw/zinc/84/85/29/1304848529.db2.gz OTBLBGJIRKNLBL-NSHDSACASA-N 1 0 339.392 3.437 20 5 EGBDRO COC(=O)[C@@H]1CCCC[C@]1(C)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783585664 1305111830 /nfs/dbraw/zinc/11/18/30/1305111830.db2.gz VIEGUWCTXANPNX-LRDDRELGSA-N 1 0 340.807 3.460 20 5 EGBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)[C@]12CCCO2 ZINC000783674638 1305126234 /nfs/dbraw/zinc/12/62/34/1305126234.db2.gz ZUSLTEMHCFXIKT-BZUAXINKSA-N 1 0 340.807 3.064 20 5 EGBDRO Cc1nn(C[N@@H+](C)C[C@@H](C)c2nccs2)c2ccc([N+](=O)[O-])cc12 ZINC000784038206 1305181995 /nfs/dbraw/zinc/18/19/95/1305181995.db2.gz MQSBAWCZWUYCAR-LLVKDONJSA-N 1 0 345.428 3.402 20 5 EGBDRO C[N@H+](C1CCCC1)C(C)(C)C(=O)OCc1ccc([N+](=O)[O-])c(F)c1 ZINC000784546339 1305257202 /nfs/dbraw/zinc/25/72/02/1305257202.db2.gz RNYDPFMRZILVQR-UHFFFAOYSA-N 1 0 338.379 3.430 20 5 EGBDRO CCSCC[C@H](C)[N@H+](C)Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000892203130 1305278665 /nfs/dbraw/zinc/27/86/65/1305278665.db2.gz RDSMZVVCYTVQMK-NSHDSACASA-N 1 0 328.434 3.273 20 5 EGBDRO COc1cccc([C@@H](C)[NH2+]Cc2ccc(O)c(OC)c2[N+](=O)[O-])c1 ZINC000892634521 1305482026 /nfs/dbraw/zinc/48/20/26/1305482026.db2.gz XLHSWFUNRMQDNG-LLVKDONJSA-N 1 0 332.356 3.168 20 5 EGBDRO C[C@@H]([NH2+][C@@H](C)COc1cccc(F)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788562601 1305972556 /nfs/dbraw/zinc/97/25/56/1305972556.db2.gz LOMKYZFVOPDUPS-NWDGAFQWSA-N 1 0 333.363 3.434 20 5 EGBDRO COC(=O)N1CCC[C@H]([NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000788579197 1305973169 /nfs/dbraw/zinc/97/31/69/1305973169.db2.gz ZIHLTVZYWPLUDM-BLLLJJGKSA-N 1 0 347.415 3.138 20 5 EGBDRO COc1ccc(CC[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1F ZINC000788587963 1305974957 /nfs/dbraw/zinc/97/49/57/1305974957.db2.gz LEPFUEVCBDOGNC-LLVKDONJSA-N 1 0 333.363 3.218 20 5 EGBDRO C[C@H]([NH2+]C[C@](C)(O)c1ccccc1Cl)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788750110 1306007458 /nfs/dbraw/zinc/00/74/58/1306007458.db2.gz LXJOPVOMSKMLII-GTNSWQLSSA-N 1 0 349.818 3.389 20 5 EGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+][C@@H](CO)CC1CCC1 ZINC000894831459 1309092544 /nfs/dbraw/zinc/09/25/44/1309092544.db2.gz AIDBOQCIPYFIFD-CYBMUJFWSA-N 1 0 332.322 3.254 20 5 EGBDRO C[N@@H+]1CCN(Cc2cc(F)ccc2[N+](=O)[O-])C[C@@H]1Cc1ccccc1 ZINC000792939519 1309265422 /nfs/dbraw/zinc/26/54/22/1309265422.db2.gz GSXZQIHMPUKMHJ-SFHVURJKSA-N 1 0 343.402 3.093 20 5 EGBDRO C[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)C[C@@H]1Cc1ccccc1 ZINC000792944725 1309268907 /nfs/dbraw/zinc/26/89/07/1309268907.db2.gz XSMSZHMCDHIADP-KRWDZBQOSA-N 1 0 343.402 3.093 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3C[C@@H]4[C@H](O)CC[C@@H]4C3)o2)c1 ZINC000895784411 1309518749 /nfs/dbraw/zinc/51/87/49/1309518749.db2.gz HTOCXJUSVQAZMU-XOKHGSTOSA-N 1 0 328.368 3.058 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)c1C ZINC000895855218 1309562335 /nfs/dbraw/zinc/56/23/35/1309562335.db2.gz PSBMEKNIDWMQPE-GXTWGEPZSA-N 1 0 333.432 3.062 20 5 EGBDRO CCCN(CC[NH+]1CCCC1)C(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000795127727 1309674910 /nfs/dbraw/zinc/67/49/10/1309674910.db2.gz DNLPJFWRPZQMOI-UHFFFAOYSA-N 1 0 336.461 3.099 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1-c1noc(Cn2ccnc2C(C)C)n1 ZINC000896086412 1309694346 /nfs/dbraw/zinc/69/43/46/1309694346.db2.gz HDJNKKPKGRQBBM-UHFFFAOYSA-N 1 0 327.344 3.321 20 5 EGBDRO Cc1[nH+]cc2n1C[C@H](c1nc(-c3cc(C)cc([N+](=O)[O-])c3)no1)CC2 ZINC000896389352 1309836072 /nfs/dbraw/zinc/83/60/72/1309836072.db2.gz YTLLRAOVEKANMK-GFCCVEGCSA-N 1 0 339.355 3.188 20 5 EGBDRO CCc1ccc([C@@H](O)C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])cc1 ZINC000796451300 1310004219 /nfs/dbraw/zinc/00/42/19/1310004219.db2.gz NADXMBAQAXSFHQ-XZXOBPBMSA-N 1 0 326.396 3.494 20 5 EGBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CC[C@H]2CCCC[C@H]2O)c1 ZINC000897539090 1310369495 /nfs/dbraw/zinc/36/94/95/1310369495.db2.gz NAJCTYAMWHRAFA-BXUZGUMPSA-N 1 0 344.358 3.227 20 5 EGBDRO CSc1ccc([N+](=O)[O-])c(C(=O)OCCC[NH+]2CCCCC2)c1 ZINC000800103335 1310671453 /nfs/dbraw/zinc/67/14/53/1310671453.db2.gz MPGCCIHJXHQRPH-UHFFFAOYSA-N 1 0 338.429 3.350 20 5 EGBDRO O=C(OCCC[NH+]1CCCC1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000800113543 1310674051 /nfs/dbraw/zinc/67/40/51/1310674051.db2.gz QLRVBWOOBWHJNU-UHFFFAOYSA-N 1 0 334.397 3.452 20 5 EGBDRO CC[NH+](CC)CCCOC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000800222155 1310705314 /nfs/dbraw/zinc/70/53/14/1310705314.db2.gz XJLKOFLKFRDLIF-UHFFFAOYSA-N 1 0 346.786 3.205 20 5 EGBDRO Cc1ccccc1C[N@@H+]1CCCN(c2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000800847002 1310818108 /nfs/dbraw/zinc/81/81/08/1310818108.db2.gz GZPHSYLTKJVNJD-UHFFFAOYSA-N 1 0 340.427 3.198 20 5 EGBDRO CC(C)(C)[NH+]1CCC(NC(=S)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000917590395 1319844845 /nfs/dbraw/zinc/84/48/45/1319844845.db2.gz QDKRMUMZWDFLRL-UHFFFAOYSA-N 1 0 336.461 3.144 20 5 EGBDRO C[C@@H](C1CC1)[N@H+](CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC000839463172 1320925894 /nfs/dbraw/zinc/92/58/94/1320925894.db2.gz APWSHMOITCRPBH-JTQLQIEISA-N 1 0 337.807 3.450 20 5 EGBDRO C[NH+](C)C1(CNC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000929304424 1328561804 /nfs/dbraw/zinc/56/18/04/1328561804.db2.gz GGEBTFUXMGMDCN-SJORKVTESA-N 1 0 345.443 3.079 20 5 EGBDRO Nc1ccc(NC[C@H](c2ccccc2)[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000804325968 1317219523 /nfs/dbraw/zinc/21/95/23/1317219523.db2.gz BVTWQHOSGXKELO-GOSISDBHSA-N 1 0 326.400 3.426 20 5 EGBDRO C[C@H]1CCN(c2ccc(N)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000804525780 1317254297 /nfs/dbraw/zinc/25/42/97/1317254297.db2.gz CSDRPQVSSUQXPX-HNNXBMFYSA-N 1 0 340.427 3.278 20 5 EGBDRO C[C@@H]1CCN(c2ccc(N)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000804525785 1317254641 /nfs/dbraw/zinc/25/46/41/1317254641.db2.gz CSDRPQVSSUQXPX-OAHLLOKOSA-N 1 0 340.427 3.278 20 5 EGBDRO CCCN(CC[NH+]1CCCC1)c1ccc(C(=O)CC)cc1[N+](=O)[O-] ZINC000804809284 1317286168 /nfs/dbraw/zinc/28/61/68/1317286168.db2.gz VUHSSMODXDIIHH-UHFFFAOYSA-N 1 0 333.432 3.500 20 5 EGBDRO CC(C)[NH+](Cc1cn([C@H](C)c2ccccc2[N+](=O)[O-])nn1)C(C)C ZINC000900535954 1317302126 /nfs/dbraw/zinc/30/21/26/1317302126.db2.gz ZUKCACFEDRVHIX-CQSZACIVSA-N 1 0 331.420 3.414 20 5 EGBDRO CCCNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000805772514 1317423205 /nfs/dbraw/zinc/42/32/05/1317423205.db2.gz HLIQXWMBZLQHGN-MRXNPFEDSA-N 1 0 349.431 3.394 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCOC1CCSCC1 ZINC000903444427 1317701505 /nfs/dbraw/zinc/70/15/05/1317701505.db2.gz AQXPWKUSWAMUHV-GFCCVEGCSA-N 1 0 340.445 3.166 20 5 EGBDRO CCCN(CC[NH+]1CCCCCC1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000808781494 1317733251 /nfs/dbraw/zinc/73/32/51/1317733251.db2.gz IXCXWNVXUCPLFM-IBGZPJMESA-N 1 0 349.475 3.216 20 5 EGBDRO Cc1ccncc1CCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000809538251 1317827468 /nfs/dbraw/zinc/82/74/68/1317827468.db2.gz LOFIWUNAWFRWDR-UHFFFAOYSA-N 1 0 340.427 3.053 20 5 EGBDRO [NH3+]CCN(Cc1nc2ccc(F)cc2s1)c1ccc([N+](=O)[O-])cc1 ZINC000809734682 1317883507 /nfs/dbraw/zinc/88/35/07/1317883507.db2.gz JTVDYPLDYFWMFU-UHFFFAOYSA-N 1 0 346.387 3.309 20 5 EGBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000810144982 1317963270 /nfs/dbraw/zinc/96/32/70/1317963270.db2.gz NZIWKLKOBVBODC-NSHDSACASA-N 1 0 342.827 3.490 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH2+]C2(CCCCC2)C1 ZINC000906635363 1318130959 /nfs/dbraw/zinc/13/09/59/1318130959.db2.gz XWIZTGAUGWNUCO-UHFFFAOYSA-N 1 0 349.456 3.065 20 5 EGBDRO Cc1ccc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)s1 ZINC001021783247 1318680174 /nfs/dbraw/zinc/68/01/74/1318680174.db2.gz GPWZIBFMPILLCQ-OKILXGFUSA-N 1 0 345.424 3.015 20 5 EGBDRO C[NH+](C)[C@@H]1[C@H]2CN(c3cc(Cl)c(C(F)(F)F)cc3[N+](=O)[O-])C[C@H]21 ZINC000858563293 1328796500 /nfs/dbraw/zinc/79/65/00/1328796500.db2.gz WNZHDIYWBITBNC-BWPRHRIFSA-N 1 0 349.740 3.263 20 5 EGBDRO C[C@H]([NH2+]C[C@@H]1COc2ccccc2C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815566073 1319017418 /nfs/dbraw/zinc/01/74/18/1319017418.db2.gz IEYKASISTNIULK-QWHCGFSZSA-N 1 0 327.384 3.079 20 5 EGBDRO C[C@@H]([NH2+]CC[C@H]1COc2ccccc2O1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815597103 1319023799 /nfs/dbraw/zinc/02/37/99/1319023799.db2.gz MKBPFELWRPMSPX-OCCSQVGLSA-N 1 0 343.383 3.058 20 5 EGBDRO C[C@@H]([NH2+]C[C@H]1OCCc2ccccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815592478 1319023848 /nfs/dbraw/zinc/02/38/48/1319023848.db2.gz JHMMUWCSQJTWQI-KZULUSFZSA-N 1 0 327.384 3.142 20 5 EGBDRO C[C@H]([NH2+]C[C@H](O)c1ccccc1Cl)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815594322 1319024040 /nfs/dbraw/zinc/02/40/40/1319024040.db2.gz MABATMIJTBYCHF-QFYYESIMSA-N 1 0 335.791 3.215 20 5 EGBDRO COc1ccc2c(c1)CC[C@@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)C2 ZINC000815615822 1319028932 /nfs/dbraw/zinc/02/89/32/1319028932.db2.gz YIXQKXXWXHGJBJ-BLLLJJGKSA-N 1 0 341.411 3.394 20 5 EGBDRO COC1(CC[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCC1 ZINC000815641568 1319034627 /nfs/dbraw/zinc/03/46/27/1319034627.db2.gz BGCXNGYEFOYGHE-UHFFFAOYSA-N 1 0 333.432 3.112 20 5 EGBDRO Cc1ccc(CSCC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000818941071 1319581601 /nfs/dbraw/zinc/58/16/01/1319581601.db2.gz CKIGGSPYINZJEQ-GOSISDBHSA-N 1 0 346.452 3.460 20 5 EGBDRO Cc1ccc2c(CC[NH2+]C[C@H](O)c3cccc([N+](=O)[O-])c3)c[nH]c2c1 ZINC000818989309 1319607020 /nfs/dbraw/zinc/60/70/20/1319607020.db2.gz KRNPUXLCWOSLAO-IBGZPJMESA-N 1 0 339.395 3.250 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CC2(c3ccc(F)cc3)CCC2)c1 ZINC000818989052 1319607199 /nfs/dbraw/zinc/60/71/99/1319607199.db2.gz HNPFKSUQJZZSHU-GOSISDBHSA-N 1 0 344.386 3.479 20 5 EGBDRO Cc1ccccc1C1(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000819002049 1319611789 /nfs/dbraw/zinc/61/17/89/1319611789.db2.gz HNJAJLUWOBKDSK-SFHVURJKSA-N 1 0 326.396 3.258 20 5 EGBDRO CCC(CC)[C@H](CNC[C@@H](O)c1ccc([N+](=O)[O-])cc1)[NH+]1CCCC1 ZINC000819062560 1319624652 /nfs/dbraw/zinc/62/46/52/1319624652.db2.gz RMEUUCLEGGDRJG-RBUKOAKNSA-N 1 0 349.475 3.118 20 5 EGBDRO CC[C@H](C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)Oc1cccc(C)c1 ZINC000819136986 1319645120 /nfs/dbraw/zinc/64/51/20/1319645120.db2.gz SDOIESPIJAUOOT-IEBWSBKVSA-N 1 0 344.411 3.384 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H]2CCOC3(CCCCC3)C2)c1 ZINC000819174046 1319656922 /nfs/dbraw/zinc/65/69/22/1319656922.db2.gz OAZKXNKEMNIFRH-RDJZCZTQSA-N 1 0 334.416 3.100 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]C[C@H](O)c1ccccc1F ZINC000819211917 1319669543 /nfs/dbraw/zinc/66/95/43/1319669543.db2.gz GRAOPCSYDOBBNK-INIZCTEOSA-N 1 0 338.766 3.253 20 5 EGBDRO O=[N+]([O-])CC[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 ZINC000930372189 1328843967 /nfs/dbraw/zinc/84/39/67/1328843967.db2.gz HIVSUWOKPYIVMW-AWEZNQCLSA-N 1 0 332.322 3.039 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2CCO[C@H](c3ccccc3)C2)cc1 ZINC000819236126 1319676574 /nfs/dbraw/zinc/67/65/74/1319676574.db2.gz QIPKPNOMBJTVCS-QRQLOZEOSA-N 1 0 342.395 3.138 20 5 EGBDRO CCC(CC)C(=O)N1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000917138066 1319761837 /nfs/dbraw/zinc/76/18/37/1319761837.db2.gz SWIBVQQBEAKADE-UHFFFAOYSA-N 1 0 347.459 3.420 20 5 EGBDRO CC[NH+](CC)Cc1ccc(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000819915584 1319799401 /nfs/dbraw/zinc/79/94/01/1319799401.db2.gz AEAVVCTWMBMEJC-UHFFFAOYSA-N 1 0 342.399 3.271 20 5 EGBDRO C[C@@H](c1ccncc1)[NH+]1CCC(Nc2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000819922294 1319802660 /nfs/dbraw/zinc/80/26/60/1319802660.db2.gz AJOBPWPUJYVMBM-ZDUSSCGKSA-N 1 0 341.415 3.210 20 5 EGBDRO CCC(CC)[N@H+](Cn1cc(Br)c([N+](=O)[O-])n1)C1CC1 ZINC000918179465 1319927466 /nfs/dbraw/zinc/92/74/66/1319927466.db2.gz QQCUVXUBGLTKKF-UHFFFAOYSA-N 1 0 331.214 3.164 20 5 EGBDRO CCN(CCC[NH+]1CCCC1)C(=O)c1c(C)ccc([N+](=O)[O-])c1C ZINC000822348605 1320075256 /nfs/dbraw/zinc/07/52/56/1320075256.db2.gz NLHKKBQTUPENIB-UHFFFAOYSA-N 1 0 333.432 3.160 20 5 EGBDRO Cc1cc(Cl)c(C(=O)N(CC[NH+](C)C)CC(C)C)cc1[N+](=O)[O-] ZINC000827063893 1320424584 /nfs/dbraw/zinc/42/45/84/1320424584.db2.gz LPLNIPGPAFZSGD-UHFFFAOYSA-N 1 0 341.839 3.216 20 5 EGBDRO C[C@@H](Cc1cccc(F)c1)[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000839196701 1320892827 /nfs/dbraw/zinc/89/28/27/1320892827.db2.gz XISJNALNCIGKKZ-UGSOOPFHSA-N 1 0 332.375 3.330 20 5 EGBDRO Cc1cc(Cl)c(C(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000839440451 1320921045 /nfs/dbraw/zinc/92/10/45/1320921045.db2.gz TXOYMKUMXCSOAE-GFCCVEGCSA-N 1 0 339.823 3.111 20 5 EGBDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000841012063 1321200164 /nfs/dbraw/zinc/20/01/64/1321200164.db2.gz YNUIVGQZNPKXTI-LBPRGKRZSA-N 1 0 328.800 3.085 20 5 EGBDRO Cc1nn(C[N@@H+]2CC[C@H](c3cccnc3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000842624940 1321409772 /nfs/dbraw/zinc/40/97/72/1321409772.db2.gz HCVMAROPEIXYGF-HNNXBMFYSA-N 1 0 337.383 3.095 20 5 EGBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)c1nc(CC2CC[NH2+]CC2)no1 ZINC000843134391 1321475701 /nfs/dbraw/zinc/47/57/01/1321475701.db2.gz RIZFJLMEDHCNLP-LLVKDONJSA-N 1 0 348.428 3.373 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CNc1ccc(OCC[NH3+])cc1 ZINC000843366447 1321506837 /nfs/dbraw/zinc/50/68/37/1321506837.db2.gz UPERGXLDAPHHFR-UHFFFAOYSA-N 1 0 345.399 3.332 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCC[C@@H]2CC2(Cl)Cl)cc1 ZINC000844276592 1321584454 /nfs/dbraw/zinc/58/44/54/1321584454.db2.gz GWAYUIJEZFFFEM-DGCLKSJQSA-N 1 0 333.215 3.192 20 5 EGBDRO CO[C@@H]1CC[N@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)CC1(C)C ZINC000848488901 1321964547 /nfs/dbraw/zinc/96/45/47/1321964547.db2.gz NQXFPPKXAXSJDB-QGZVFWFLSA-N 1 0 344.415 3.163 20 5 EGBDRO CC(C)O[C@H]1CCCN(Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C1 ZINC000848489399 1321964829 /nfs/dbraw/zinc/96/48/29/1321964829.db2.gz LXHMPAJNUWUHQJ-INIZCTEOSA-N 1 0 344.415 3.305 20 5 EGBDRO C[C@@](O)(C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc(F)cc1 ZINC000848537115 1321972136 /nfs/dbraw/zinc/97/21/36/1321972136.db2.gz ZYIGHBXALHHIDY-FUHWJXTLSA-N 1 0 330.359 3.219 20 5 EGBDRO COC(=O)Cc1ccccc1C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000848571287 1321977970 /nfs/dbraw/zinc/97/79/70/1321977970.db2.gz FHCRKDSBHXAVAK-AWEZNQCLSA-N 1 0 342.395 3.470 20 5 EGBDRO C[C@@H]1CCC[C@](CNc2nc3ccccn3c2[N+](=O)[O-])([NH+](C)C)C1 ZINC000918735684 1321986493 /nfs/dbraw/zinc/98/64/93/1321986493.db2.gz NFEXCALNSWVHOA-DYVFJYSZSA-N 1 0 331.420 3.165 20 5 EGBDRO CCc1cccc(NC(=[NH2+])NCCNc2ccc([N+](=O)[O-])cc2)c1 ZINC000849053901 1322060220 /nfs/dbraw/zinc/06/02/20/1322060220.db2.gz WXXFAWAPJFTXCI-UHFFFAOYSA-N 1 0 327.388 3.206 20 5 EGBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000919965117 1322123200 /nfs/dbraw/zinc/12/32/00/1322123200.db2.gz OAFWYZAGUATPCD-XQQFMLRXSA-N 1 0 336.392 3.281 20 5 EGBDRO C[C@@H]1CCC[C@@](CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)([NH+](C)C)C1 ZINC000920741999 1322215835 /nfs/dbraw/zinc/21/58/35/1322215835.db2.gz ACLQTIWDMAAMAO-WMCILJIVSA-N 1 0 345.443 3.235 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H](O)c1cccc(F)c1 ZINC000850430291 1322247410 /nfs/dbraw/zinc/24/74/10/1322247410.db2.gz YGAPLCORXOQFDP-ZBEGNZNMSA-N 1 0 334.347 3.127 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@](C)(O)c1ccccc1 ZINC000850436165 1322248647 /nfs/dbraw/zinc/24/86/47/1322248647.db2.gz SSBOISINMDMLHH-ACJLOTCBSA-N 1 0 330.384 3.162 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@]1(O)CCc2ccccc21 ZINC000850449240 1322251174 /nfs/dbraw/zinc/25/11/74/1322251174.db2.gz XSPKQGMGSUIZPQ-BFUOFWGJSA-N 1 0 342.395 3.088 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@]1(O)CCc2ccccc21 ZINC000850449243 1322251761 /nfs/dbraw/zinc/25/17/61/1322251761.db2.gz XSPKQGMGSUIZPQ-YJYMSZOUSA-N 1 0 342.395 3.088 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000931057449 1329038800 /nfs/dbraw/zinc/03/88/00/1329038800.db2.gz NIXCWPSHVPYVMK-AWEZNQCLSA-N 1 0 334.420 3.065 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000931057924 1329039055 /nfs/dbraw/zinc/03/90/55/1329039055.db2.gz SWPBBLWIUKZARH-ZDUSSCGKSA-N 1 0 334.420 3.206 20 5 EGBDRO CC(C)[N@@H+]1CCC[C@H]1c1nc(CCNc2ccccc2[N+](=O)[O-])no1 ZINC000923881879 1322834317 /nfs/dbraw/zinc/83/43/17/1322834317.db2.gz PFZHTCBYBZYCNQ-HNNXBMFYSA-N 1 0 345.403 3.178 20 5 EGBDRO CC(C)(C)[N@@H+]1CCCN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000931123481 1329055578 /nfs/dbraw/zinc/05/55/78/1329055578.db2.gz PEQCAHZXWUMLFK-IAGOWNOFSA-N 1 0 345.443 3.031 20 5 EGBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000931297590 1329088437 /nfs/dbraw/zinc/08/84/37/1329088437.db2.gz KXNZVNSNYIWICS-NSHDSACASA-N 1 0 340.811 3.195 20 5 EGBDRO C[C@H]1CCC[C@@H]([N@H+](C)Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)C1 ZINC000853489123 1325102261 /nfs/dbraw/zinc/10/22/61/1325102261.db2.gz GSEHAUJSHWIQGW-UONOGXRCSA-N 1 0 329.404 3.321 20 5 EGBDRO C[C@@H]1CCC[C@H]([N@H+](C)Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)C1 ZINC000853489122 1325102606 /nfs/dbraw/zinc/10/26/06/1325102606.db2.gz GSEHAUJSHWIQGW-KGLIPLIRSA-N 1 0 329.404 3.321 20 5 EGBDRO CCC(CC)[N@H+](Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1)C1CC1 ZINC000853490752 1325103895 /nfs/dbraw/zinc/10/38/95/1325103895.db2.gz HENUOCNNAMNCQS-UHFFFAOYSA-N 1 0 329.404 3.464 20 5 EGBDRO CC(=O)N[C@H](c1ccccc1F)[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000925307928 1325120071 /nfs/dbraw/zinc/12/00/71/1325120071.db2.gz OWQVLLMGJPWLDK-XIKOKIGWSA-N 1 0 345.374 3.089 20 5 EGBDRO C[N@H+](CCOc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000853739958 1325156674 /nfs/dbraw/zinc/15/66/74/1325156674.db2.gz QPAAEFLIYVDJBV-UHFFFAOYSA-N 1 0 331.328 3.014 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@@H]([N@H+](C)CCc3ccccc3)C2)n1 ZINC000853837408 1325170471 /nfs/dbraw/zinc/17/04/71/1325170471.db2.gz JIVMZYUGGSMZIL-QGZVFWFLSA-N 1 0 340.427 3.051 20 5 EGBDRO CC[NH+](CC)Cc1ccc(C(=O)OCc2onc(C)c2[N+](=O)[O-])cc1 ZINC000853915426 1325183228 /nfs/dbraw/zinc/18/32/28/1325183228.db2.gz DCSLHCOUESMEAQ-UHFFFAOYSA-N 1 0 347.371 3.090 20 5 EGBDRO O=[N+]([O-])c1cccc([N+](=O)[O-])c1NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000853996839 1325199492 /nfs/dbraw/zinc/19/94/92/1325199492.db2.gz ZXMPWCHEMQLLGX-ZDUSSCGKSA-N 1 0 334.376 3.037 20 5 EGBDRO CC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000853996800 1325199755 /nfs/dbraw/zinc/19/97/55/1325199755.db2.gz RLLXZTQUDBBSRY-HNNXBMFYSA-N 1 0 331.416 3.331 20 5 EGBDRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000855160238 1325356554 /nfs/dbraw/zinc/35/65/54/1325356554.db2.gz QVSKNVVDJNFNGM-LLVKDONJSA-N 1 0 339.823 3.098 20 5 EGBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000855158715 1325357206 /nfs/dbraw/zinc/35/72/06/1325357206.db2.gz HYJVZJHPYKDMEZ-NSHDSACASA-N 1 0 339.823 3.098 20 5 EGBDRO CCC[N@@H+]1CC[C@H](NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000856073375 1325445491 /nfs/dbraw/zinc/44/54/91/1325445491.db2.gz OICBYKOFDYHIPA-JTQLQIEISA-N 1 0 346.214 3.116 20 5 EGBDRO CC[NH+](CC)[C@@H]1CCN(c2cccc(Br)c2[N+](=O)[O-])C1 ZINC000856733085 1325516085 /nfs/dbraw/zinc/51/60/85/1325516085.db2.gz NMHPHIZACOLVOC-LLVKDONJSA-N 1 0 342.237 3.278 20 5 EGBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000860492061 1329324039 /nfs/dbraw/zinc/32/40/39/1329324039.db2.gz WDFKIWUPFGGOSM-NSHDSACASA-N 1 0 339.823 3.051 20 5 EGBDRO Cn1nc(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1C1CC1 ZINC000927113099 1327872109 /nfs/dbraw/zinc/87/21/09/1327872109.db2.gz WHUZSFHHXPUOPS-QGZVFWFLSA-N 1 0 340.427 3.317 20 5 EGBDRO CCN(CCC[NH+]1CCCC1)C(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000861242365 1329401226 /nfs/dbraw/zinc/40/12/26/1329401226.db2.gz PCDXYLKEQOWOHB-UHFFFAOYSA-N 1 0 339.823 3.196 20 5 EGBDRO C[NH+](C)CCc1ccc(Nc2cc(F)c([N+](=O)[O-])cc2CO)cc1 ZINC000865527436 1329709505 /nfs/dbraw/zinc/70/95/05/1329709505.db2.gz MJHAUWGIOAKJRE-UHFFFAOYSA-N 1 0 333.363 3.074 20 5 EGBDRO C[C@@H]([NH2+]CC(=O)N([C@H](C)C1CC1)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000932178979 1329791395 /nfs/dbraw/zinc/79/13/95/1329791395.db2.gz CWXXURSBPCZUDQ-CHWSQXEVSA-N 1 0 331.416 3.035 20 5 EGBDRO C[C@@H]([NH2+]CC(=O)NCCC1=CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000932182222 1329791685 /nfs/dbraw/zinc/79/16/85/1329791685.db2.gz JOIWGKFCLZMURY-CQSZACIVSA-N 1 0 331.416 3.252 20 5 EGBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C1(C2CCCCC2)CC1 ZINC000934789183 1330006921 /nfs/dbraw/zinc/00/69/21/1330006921.db2.gz FWCRASUREHVOBP-HNNXBMFYSA-N 1 0 334.416 3.037 20 5 EGBDRO CC(C)Oc1nc(N2CCC3(CC2)CC[NH+](C)CC3)ccc1[N+](=O)[O-] ZINC000866054829 1330060321 /nfs/dbraw/zinc/06/03/21/1330060321.db2.gz JEWXGIVTFNPTBQ-UHFFFAOYSA-N 1 0 348.447 3.089 20 5 EGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H](O)c1cccc(F)c1 ZINC000866241728 1330084070 /nfs/dbraw/zinc/08/40/70/1330084070.db2.gz FWRCKKROCMCSNH-APPDUMDISA-N 1 0 336.338 3.127 20 5 EGBDRO COc1ccc(C[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])cc1O ZINC000866252757 1330085713 /nfs/dbraw/zinc/08/57/13/1330085713.db2.gz PBZLQYUOVMJLIL-NSHDSACASA-N 1 0 334.347 3.169 20 5 EGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000866258870 1330086365 /nfs/dbraw/zinc/08/63/65/1330086365.db2.gz CCWDTYDVZHMANF-GFCCVEGCSA-N 1 0 347.346 3.405 20 5 EGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H](CO)c1ccccc1 ZINC000866281506 1330090094 /nfs/dbraw/zinc/09/00/94/1330090094.db2.gz IVYNIQFSFQBNLS-CZUORRHYSA-N 1 0 332.375 3.031 20 5 EGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H](C)C[C@@H](O)c1ccco1 ZINC000866287840 1330091074 /nfs/dbraw/zinc/09/10/74/1330091074.db2.gz SEIPDEGZAHFNGH-XHBSWPGZSA-N 1 0 336.363 3.360 20 5 EGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H](CCO)Cc1ccccc1 ZINC000866352790 1330100879 /nfs/dbraw/zinc/10/08/79/1330100879.db2.gz MDMZUTJGYHEGFT-KSSFIOAISA-N 1 0 346.402 3.248 20 5 EGBDRO C/C=C(/C)C(=O)N1CCC(C[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001029953957 1341133341 /nfs/dbraw/zinc/13/33/41/1341133341.db2.gz NPMYHFFDPVAPGE-TVPGTPATSA-N 1 0 345.443 3.231 20 5 EGBDRO C[C@@H]1CC[NH2+]CC[C@H]1Oc1cc([N+](=O)[O-])c(F)cc1Br ZINC001218026304 1373540955 /nfs/dbraw/zinc/54/09/55/1373540955.db2.gz IDKDNMUHLJRWIU-PRHODGIISA-N 1 0 347.184 3.263 20 5 EGBDRO O=[N+]([O-])c1ccc(O[C@@H]2CCC[C@]23CC[NH2+]C3)cc1Br ZINC001218097280 1373559860 /nfs/dbraw/zinc/55/98/60/1373559860.db2.gz WLARBFKFHLYCSU-ZIAGYGMSSA-N 1 0 341.205 3.268 20 5 EGBDRO C[NH2+][C@H]1CC[C@H](Oc2cc([N+](=O)[O-])c(F)cc2Br)CC1 ZINC001218188089 1373574567 /nfs/dbraw/zinc/57/45/67/1373574567.db2.gz UZYMSXYTZUQXHT-KYZUINATSA-N 1 0 347.184 3.406 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC001323971533 1387501915 /nfs/dbraw/zinc/50/19/15/1387501915.db2.gz AFXKBYZUJIDKNJ-UHFFFAOYSA-N 1 0 334.420 3.160 20 5 EGBDRO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1Br)C[C@@H]1CCOC1 ZINC001324151484 1387548573 /nfs/dbraw/zinc/54/85/73/1387548573.db2.gz YVKQHPZQIXURBM-NSHDSACASA-N 1 0 343.221 3.216 20 5 EGBDRO CCCCCC(=O)N1CCCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC001194856647 1368335360 /nfs/dbraw/zinc/33/53/60/1368335360.db2.gz TUNSYYMYONBETE-UHFFFAOYSA-N 1 0 333.432 3.209 20 5 EGBDRO CC(C)n1ncc2c1[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CCC2 ZINC001325844159 1388054664 /nfs/dbraw/zinc/05/46/64/1388054664.db2.gz OOYOFHFXZYRHKY-IAGOWNOFSA-N 1 0 344.415 3.073 20 5 EGBDRO C[NH+]1CCC(COc2ccc(Nc3ccc([N+](=O)[O-])nc3)cc2)CC1 ZINC001203578742 1370177421 /nfs/dbraw/zinc/17/74/21/1370177421.db2.gz AHYXQMJRXCYBRF-UHFFFAOYSA-N 1 0 342.399 3.454 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ncn(C[N@@H+]3CC[C@@H]4CCCC[C@H]4C3)n2)cc1 ZINC001116018009 1370820621 /nfs/dbraw/zinc/82/06/21/1370820621.db2.gz SWYKMCQDAJFJNK-HOCLYGCPSA-N 1 0 341.415 3.323 20 5 EGBDRO CC(C)NC(=O)c1ccc(N[C@@H]2CCCC[C@H]2[NH+](C)C)c([N+](=O)[O-])c1 ZINC001116028832 1370822677 /nfs/dbraw/zinc/82/26/77/1370822677.db2.gz VMPRELFPHFKHMF-GDBMZVCRSA-N 1 0 348.447 3.018 20 5 EGBDRO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC001116038671 1370824975 /nfs/dbraw/zinc/82/49/75/1370824975.db2.gz ZUXWFVABNDMCBG-HZPDHXFCSA-N 1 0 347.459 3.495 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)c2ncnc(N[C@@H]3CC[N@@H+]4CCCC[C@H]34)c2c1 ZINC001118579022 1371202693 /nfs/dbraw/zinc/20/26/93/1371202693.db2.gz SXZANNLGAJYRIV-ZIAGYGMSSA-N 1 0 347.806 3.230 20 5 EGBDRO CC(C)[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccn1 ZINC001120467320 1371585968 /nfs/dbraw/zinc/58/59/68/1371585968.db2.gz JKOQQYKKHFHUNI-GOSISDBHSA-N 1 0 342.399 3.305 20 5 EGBDRO Cc1cc(NC(=O)NC2CC[NH+](C3CCC3)CC2)cc([N+](=O)[O-])c1 ZINC001123454410 1372475114 /nfs/dbraw/zinc/47/51/14/1372475114.db2.gz XOXBMBHXRLRELU-UHFFFAOYSA-N 1 0 332.404 3.042 20 5 EGBDRO O[C@H]1CC[NH2+][C@@H]1c1nc(-c2cc3ccccc3c3ccccc23)no1 ZINC001211938297 1372637689 /nfs/dbraw/zinc/63/76/89/1372637689.db2.gz VYYRHMITRUUHQM-ROUUACIJSA-N 1 0 331.375 3.438 20 5 EGBDRO C[C@@]1(c2nc(-c3ccc4ccc5cccnc5c4n3)no2)CC[NH2+]C1 ZINC001212200453 1372670419 /nfs/dbraw/zinc/67/04/19/1372670419.db2.gz CWSAWTKRNMFTGE-LJQANCHMSA-N 1 0 331.379 3.084 20 5 EGBDRO CC(C)(C)OC(=O)c1ccc([N+](=O)[O-])c(O[C@@H]2CCC[NH2+]CC2)c1 ZINC001217998537 1373531144 /nfs/dbraw/zinc/53/11/44/1373531144.db2.gz AFGOHAZZQDDWSO-CYBMUJFWSA-N 1 0 336.388 3.071 20 5 EGBDRO Cc1cc(Br)c(O[C@@H](C)C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC001218008179 1373534655 /nfs/dbraw/zinc/53/46/55/1373534655.db2.gz CDKIONNNBUKRMX-JTQLQIEISA-N 1 0 343.221 3.433 20 5 EGBDRO O=c1c2ccccc2oc2cc(O[C@H]3CC[NH2+]CC[C@H]3F)ccc12 ZINC001218013806 1373537608 /nfs/dbraw/zinc/53/76/08/1373537608.db2.gz CTTYHZNFZRFWCW-WBVHZDCISA-N 1 0 327.355 3.415 20 5 EGBDRO Cc1cc(Br)c(O[C@@H]2CC[NH2+]CC[C@@H]2F)cc1[N+](=O)[O-] ZINC001218021878 1373539585 /nfs/dbraw/zinc/53/95/85/1373539585.db2.gz YCYQSPAINPFFJC-CMPLNLGQSA-N 1 0 347.184 3.135 20 5 EGBDRO C[C@H]1CC[NH2+]CC[C@@H]1Oc1ccc([N+](=O)[O-])cc1Br ZINC001218026564 1373541500 /nfs/dbraw/zinc/54/15/00/1373541500.db2.gz IWXHHTYADUWYLP-CABZTGNLSA-N 1 0 329.194 3.124 20 5 EGBDRO Cc1cc(Br)c(O[C@H]2CC[C@@]23CC[NH2+]C3)cc1[N+](=O)[O-] ZINC001218120054 1373564411 /nfs/dbraw/zinc/56/44/11/1373564411.db2.gz SESZAUSKIIYJNE-KBPBESRZSA-N 1 0 341.205 3.187 20 5 EGBDRO O=[N+]([O-])c1cc(-c2ccccc2)ccc1O[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]21 ZINC001218117538 1373564500 /nfs/dbraw/zinc/56/45/00/1373564500.db2.gz YUCYNSBWNBZPBP-SNRMKQJTSA-N 1 0 340.379 3.160 20 5 EGBDRO Cc1cc(Br)c(O[C@@H]2CC[C@]23CC[NH2+]C3)cc1[N+](=O)[O-] ZINC001218120057 1373564976 /nfs/dbraw/zinc/56/49/76/1373564976.db2.gz SESZAUSKIIYJNE-ZIAGYGMSSA-N 1 0 341.205 3.187 20 5 EGBDRO Cc1cc(O[C@@H]2C[C@@H]3CC[NH2+][C@H]3C2)c([N+](=O)[O-])cc1Br ZINC001218247779 1373583413 /nfs/dbraw/zinc/58/34/13/1373583413.db2.gz DYEXCPMENWYKPW-UMNHJUIQSA-N 1 0 341.205 3.185 20 5 EGBDRO CC(C)(C)c1cc([N+](=O)[O-])c(O[C@@H]2C[C@@H]3CC[NH2+][C@H]3C2)c([N+](=O)[O-])c1 ZINC001218251506 1373583924 /nfs/dbraw/zinc/58/39/24/1373583924.db2.gz UFEKTVDXABIQHB-UHTWSYAYSA-N 1 0 349.387 3.320 20 5 EGBDRO O=[N+]([O-])c1cc(OC2CCC3(C[NH2+]C3)CC2)ccc1Br ZINC001218261801 1373585536 /nfs/dbraw/zinc/58/55/36/1373585536.db2.gz PDPMYKIPVDTIKS-UHFFFAOYSA-N 1 0 341.205 3.268 20 5 EGBDRO O=[N+]([O-])c1cc(Br)ccc1O[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC001218305854 1373592432 /nfs/dbraw/zinc/59/24/32/1373592432.db2.gz DZUVTLCSPWIXPE-LLVKDONJSA-N 1 0 341.205 3.411 20 5 EGBDRO Nc1ccc(OC2CC[NH+](CCc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC001218373608 1373603453 /nfs/dbraw/zinc/60/34/53/1373603453.db2.gz YUCKHUMHZKNJGO-UHFFFAOYSA-N 1 0 341.411 3.263 20 5 EGBDRO C[C@@H]1CC[C@@H](Oc2c(F)cc([N+](=O)[O-])cc2Br)C[NH2+]1 ZINC001218399622 1373607091 /nfs/dbraw/zinc/60/70/91/1373607091.db2.gz BLHGXLPNAZULSA-VXNVDRBHSA-N 1 0 333.157 3.016 20 5 EGBDRO C[C@H]1CC[C@H](Oc2ccc(C(=O)OC(C)(C)C)cc2[N+](=O)[O-])C[NH2+]1 ZINC001218401231 1373607975 /nfs/dbraw/zinc/60/79/75/1373607975.db2.gz CEQOKZNIMDXEOS-AAEUAGOBSA-N 1 0 336.388 3.069 20 5 EGBDRO C[C@H]1C[NH2+]CC[C@H]1Oc1c(Br)cc(Cl)cc1[N+](=O)[O-] ZINC001218426397 1373610528 /nfs/dbraw/zinc/61/05/28/1373610528.db2.gz WSWVOSVSKMLJFS-WRWORJQWSA-N 1 0 349.612 3.388 20 5 EGBDRO Cc1cc(Br)cc([N+](=O)[O-])c1O[C@@H]1CC[NH2+]C[C@H]1C ZINC001218424948 1373610572 /nfs/dbraw/zinc/61/05/72/1373610572.db2.gz PGQCPMYURQTXAA-BXKDBHETSA-N 1 0 329.194 3.043 20 5 EGBDRO Cc1cc(Br)cc([N+](=O)[O-])c1O[C@H]1CC[NH2+]C[C@H]1C ZINC001218424951 1373610663 /nfs/dbraw/zinc/61/06/63/1373610663.db2.gz PGQCPMYURQTXAA-SKDRFNHKSA-N 1 0 329.194 3.043 20 5 EGBDRO O=c1oc2cc(O[C@H]3C[NH2+]CCC3(F)F)ccc2c2ccccc12 ZINC001218448097 1373614692 /nfs/dbraw/zinc/61/46/92/1373614692.db2.gz LFMLRJCJIDUIIK-INIZCTEOSA-N 1 0 331.318 3.322 20 5 EGBDRO CC1(C)C[C@@H](Oc2c(Br)cccc2[N+](=O)[O-])CC[NH2+]1 ZINC001218475664 1373621011 /nfs/dbraw/zinc/62/10/11/1373621011.db2.gz MZWIEMPUKBDCJE-VIFPVBQESA-N 1 0 329.194 3.267 20 5 EGBDRO C[NH+]1CCC2(CC[C@H](COc3cccc([N+](=O)[O-])c3Cl)O2)CC1 ZINC001225785894 1375155179 /nfs/dbraw/zinc/15/51/79/1375155179.db2.gz MVRCONZNCDGNNW-GFCCVEGCSA-N 1 0 340.807 3.270 20 5 EGBDRO CC(C)CCC(=O)NC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001225993504 1375186348 /nfs/dbraw/zinc/18/63/48/1375186348.db2.gz PDPMKTLUJQVLRK-UHFFFAOYSA-N 1 0 333.432 3.112 20 5 EGBDRO C[C@H](C[N+](C)(C)C)Oc1ncc(C(F)(F)F)cc1Br ZINC001226108091 1375204213 /nfs/dbraw/zinc/20/42/13/1375204213.db2.gz VPUBSPPPZMXOFA-MRVPVSSYSA-N 1 0 342.179 3.336 20 5 EGBDRO O=[N+]([O-])c1cccc(O)c1OC1CC[NH+](CCc2ccccc2)CC1 ZINC001226334913 1375242106 /nfs/dbraw/zinc/24/21/06/1375242106.db2.gz AKZCTPVYAPAGCN-UHFFFAOYSA-N 1 0 342.395 3.386 20 5 EGBDRO CC(C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1nc(Cl)ccc1[N+](=O)[O-])C2 ZINC001226363963 1375246946 /nfs/dbraw/zinc/24/69/46/1375246946.db2.gz BDXZVAGYVRNCPB-GDNZZTSVSA-N 1 0 325.796 3.426 20 5 EGBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Oc1ccc([N+](=O)[O-])nc1 ZINC001226712534 1375315410 /nfs/dbraw/zinc/31/54/10/1375315410.db2.gz OMROIDDQUIELBY-RHSMWYFYSA-N 1 0 327.384 3.279 20 5 EGBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cc(Br)cc([N+](=O)[O-])c1)C2 ZINC001229145084 1375774553 /nfs/dbraw/zinc/77/45/53/1375774553.db2.gz INJDEHGSRPIBGD-YABSGUDNSA-N 1 0 341.205 3.361 20 5 EGBDRO Cc1cc(OC[C@@H]2CCC3(CC[NH+](C)CC3)O2)cc(C)c1[N+](=O)[O-] ZINC001229465383 1375841696 /nfs/dbraw/zinc/84/16/96/1375841696.db2.gz CGLFVOGQQFLCPF-HNNXBMFYSA-N 1 0 334.416 3.234 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1C[C@H](C)Oc1cccc([C@@H](C)[NH+](C)C)c1 ZINC001229626894 1375868883 /nfs/dbraw/zinc/86/88/83/1375868883.db2.gz NHVUXFCBUDMPBX-QWHCGFSZSA-N 1 0 332.404 3.190 20 5 EGBDRO Cc1cccc(Cl)c1C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001133314399 1375916927 /nfs/dbraw/zinc/91/69/27/1375916927.db2.gz JXSYVFZPVCQJFN-UHFFFAOYSA-N 1 0 347.802 3.076 20 5 EGBDRO CC[NH+](CC)C[C@@H](C)Oc1nc(C)c(Br)cc1[N+](=O)[O-] ZINC001231121027 1376206285 /nfs/dbraw/zinc/20/62/85/1376206285.db2.gz DQPGBDQNWJEOLP-SECBINFHSA-N 1 0 346.225 3.170 20 5 EGBDRO CC[NH+](CC)C[C@H](C)Oc1nc(C)c(Br)cc1[N+](=O)[O-] ZINC001231121028 1376206706 /nfs/dbraw/zinc/20/67/06/1376206706.db2.gz DQPGBDQNWJEOLP-VIFPVBQESA-N 1 0 346.225 3.170 20 5 EGBDRO C[N@@H+](Cc1c2ccccc2c(Cl)c2ccccc21)C[C@H](O)CO ZINC001231826370 1376324428 /nfs/dbraw/zinc/32/44/28/1376324428.db2.gz GNRJVRWSPSFAAW-ZDUSSCGKSA-N 1 0 329.827 3.431 20 5 EGBDRO C[N@@H+]1CCC[C@H]2CN(Cc3ccc4ccc5cccnc5c4n3)C[C@H]21 ZINC001232226822 1376419967 /nfs/dbraw/zinc/41/99/67/1376419967.db2.gz YNBNDPZMDQWAQR-PKOBYXMFSA-N 1 0 332.451 3.309 20 5 EGBDRO CC(C)(C)OC(=O)c1ccc([N+](=O)[O-])c(O[C@@H]2C[NH+]3CCC2CC3)c1 ZINC001233529659 1376662108 /nfs/dbraw/zinc/66/21/08/1376662108.db2.gz AERZNCRJTUXSHS-MRXNPFEDSA-N 1 0 348.399 3.023 20 5 EGBDRO COc1cc(CC[N+](=O)[O-])ccc1O[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC001233987364 1376748582 /nfs/dbraw/zinc/74/85/82/1376748582.db2.gz QIPJCAGRZBVBKT-FVQHAEBGSA-N 1 0 348.443 3.297 20 5 EGBDRO CS[C@H]1CC[C@@H]([N@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC001327303745 1388493266 /nfs/dbraw/zinc/49/32/66/1388493266.db2.gz PLWQRVBOPPSFLA-OLZOCXBDSA-N 1 0 337.445 3.139 20 5 EGBDRO CC1(C)CCC(CC(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001153869933 1380147072 /nfs/dbraw/zinc/14/70/72/1380147072.db2.gz MAWSISRERRIMNB-UHFFFAOYSA-N 1 0 347.459 3.407 20 5 EGBDRO C[C@H]1C[NH2+]CCC[C@@H]1CNc1nc(Cl)nc2ccc([N+](=O)[O-])cc21 ZINC001155025969 1380393912 /nfs/dbraw/zinc/39/39/12/1380393912.db2.gz QYNANFWNZWQADC-WDEREUQCSA-N 1 0 349.822 3.239 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(N[C@@H]2CC[NH2+][C@H]2c2ccccc2)nc1Cl ZINC001155548483 1380466814 /nfs/dbraw/zinc/46/68/14/1380466814.db2.gz CAGBJWUDWOSUSK-OCCSQVGLSA-N 1 0 332.791 3.467 20 5 EGBDRO O=[N+]([O-])c1cccc2ccc(N3CC[NH2+]C[C@H]3c3cccs3)nc21 ZINC001156097013 1380524845 /nfs/dbraw/zinc/52/48/45/1380524845.db2.gz FDNDFAIWHNQMEY-AWEZNQCLSA-N 1 0 340.408 3.355 20 5 EGBDRO C[N@@H+]1CCC[C@@H](CCNC(F)(F)c2cc([N+](=O)[O-])cnc2Cl)C1 ZINC001156378304 1380568050 /nfs/dbraw/zinc/56/80/50/1380568050.db2.gz LLHOVWXJFGOQNT-JTQLQIEISA-N 1 0 348.781 3.014 20 5 EGBDRO CC(C)[NH+]1CCC(CNc2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC001156502758 1380585135 /nfs/dbraw/zinc/58/51/35/1380585135.db2.gz UPJFPZKHMDNPED-UHFFFAOYSA-N 1 0 329.404 3.070 20 5 EGBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2CCC3(CC2)CC[NH+](C)CC3)n1 ZINC001156575954 1380595886 /nfs/dbraw/zinc/59/58/86/1380595886.db2.gz HHCVLYGENNZGAY-UHFFFAOYSA-N 1 0 338.839 3.264 20 5 EGBDRO Cc1cc(N2CC[C@H]([N@@H+](C)C(C)C)C2)nc2ccc([N+](=O)[O-])cc12 ZINC001157010554 1380751801 /nfs/dbraw/zinc/75/18/01/1380751801.db2.gz RYIVDWFAQDQZMQ-HNNXBMFYSA-N 1 0 328.416 3.370 20 5 EGBDRO O=[N+]([O-])c1cc2ccccc2nc1N1CCCC[C@]12CCC[NH2+]C2 ZINC001157473174 1380926269 /nfs/dbraw/zinc/92/62/69/1380926269.db2.gz SFZXAYYGCWTWIT-GOSISDBHSA-N 1 0 326.400 3.256 20 5 EGBDRO [NH3+]CC[C@@H]1CN(c2ncnc3cccc([N+](=O)[O-])c32)c2ccccc21 ZINC001157751751 1381021547 /nfs/dbraw/zinc/02/15/47/1381021547.db2.gz LTIYLXGXJNVUGV-GFCCVEGCSA-N 1 0 335.367 3.122 20 5 EGBDRO [NH3+]Cc1cccc2c1cnn2-c1nc(Cl)c(Cl)cc1[N+](=O)[O-] ZINC001158308166 1381195296 /nfs/dbraw/zinc/19/52/96/1381195296.db2.gz UGKLVTPPUZGIHP-UHFFFAOYSA-N 1 0 338.154 3.094 20 5 EGBDRO CC(C)CC1(C(=O)NCCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001159592786 1381839503 /nfs/dbraw/zinc/83/95/03/1381839503.db2.gz RGSKWELQTILXMM-UHFFFAOYSA-N 1 0 333.432 3.017 20 5 EGBDRO Cc1ncc([N+](=O)[O-])cc1Nc1ccc(O[C@H]2CCC[NH2+]C2)cc1 ZINC001159953375 1381948513 /nfs/dbraw/zinc/94/85/13/1381948513.db2.gz HAISRCFTCAFQFB-INIZCTEOSA-N 1 0 328.372 3.173 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1Nc1cc(F)ccc1N1CC[NH2+]CC1 ZINC001160045453 1381978807 /nfs/dbraw/zinc/97/88/07/1381978807.db2.gz KKIXGVHNZIPKBV-UHFFFAOYSA-N 1 0 330.363 3.196 20 5 EGBDRO Cc1ccc(Nc2cccc(F)c2N2CC[C@@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC001160116184 1382001334 /nfs/dbraw/zinc/00/13/34/1382001334.db2.gz FAJZLTGQAXSBSG-GFCCVEGCSA-N 1 0 330.363 3.323 20 5 EGBDRO O=[N+]([O-])c1ccc(F)c(Nc2c(F)cccc2O[C@@H]2CC[NH2+]C2)c1 ZINC001160128136 1382005860 /nfs/dbraw/zinc/00/58/60/1382005860.db2.gz LZKPZGYIHZKOHM-LLVKDONJSA-N 1 0 335.310 3.357 20 5 EGBDRO COc1ccc(Nc2ccc(O[C@@H]3CC[NH2+]C3)c(F)c2)cc1[N+](=O)[O-] ZINC001160163982 1382022589 /nfs/dbraw/zinc/02/25/89/1382022589.db2.gz ONNHERVDCQIDJP-CYBMUJFWSA-N 1 0 347.346 3.227 20 5 EGBDRO Cc1ncc([N+](=O)[O-])cc1Nc1ccccc1O[C@@H]1CCC[NH2+]C1 ZINC001160233737 1382042241 /nfs/dbraw/zinc/04/22/41/1382042241.db2.gz LVBAXUQIFABFFA-CQSZACIVSA-N 1 0 328.372 3.173 20 5 EGBDRO O=[N+]([O-])c1ccc2ccc(N[C@@H]3CC[NH2+]C[C@H]3C(F)(F)F)nc2c1 ZINC001160735524 1382181454 /nfs/dbraw/zinc/18/14/54/1382181454.db2.gz GGVNOERHRNFPCG-VXGBXAGGSA-N 1 0 340.305 3.095 20 5 EGBDRO O=[N+]([O-])c1ccc2ccc(N[C@@H]3CC[NH2+]C[C@@H]3C(F)(F)F)nc2c1 ZINC001160735520 1382181817 /nfs/dbraw/zinc/18/18/17/1382181817.db2.gz GGVNOERHRNFPCG-NWDGAFQWSA-N 1 0 340.305 3.095 20 5 EGBDRO CC(C)(C)[C@H](C[NH3+])Nc1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)nn1 ZINC001160917828 1382233855 /nfs/dbraw/zinc/23/38/55/1382233855.db2.gz OZHOIHXMYMMHKQ-AWEZNQCLSA-N 1 0 349.822 3.491 20 5 EGBDRO O=[N+]([O-])c1ccc2ncnc(N[C@H]3CC[N@H+](CC4CCCC4)C3)c2c1 ZINC001161186277 1382332128 /nfs/dbraw/zinc/33/21/28/1382332128.db2.gz HSBPSVOUZROAMS-AWEZNQCLSA-N 1 0 341.415 3.214 20 5 EGBDRO C[N@@H+]1CCC[C@](C)(Nc2nc(Cl)nc3ccc([N+](=O)[O-])cc32)C1 ZINC001162341385 1382734832 /nfs/dbraw/zinc/73/48/32/1382734832.db2.gz LXDVSAOCMDZPCW-HNNXBMFYSA-N 1 0 335.795 3.088 20 5 EGBDRO COc1c([N+](=O)[O-])cc(Cl)c(C)c1NC[C@]1(F)CCCC[NH2+]C1 ZINC001162587224 1382800298 /nfs/dbraw/zinc/80/02/98/1382800298.db2.gz ONJJZFABFQZZRC-HNNXBMFYSA-N 1 0 345.802 3.459 20 5 EGBDRO COc1cccc([C@@H](C[NH3+])Nc2nc3ccccc3cc2[N+](=O)[O-])c1 ZINC001163310300 1383018261 /nfs/dbraw/zinc/01/82/61/1383018261.db2.gz WERTUVWYICLUCP-MRXNPFEDSA-N 1 0 338.367 3.264 20 5 EGBDRO Cc1c(C)n(-c2ccc3c([N+](=O)[O-])c[nH]c3n2)c2ccc(C[NH3+])cc12 ZINC001163756164 1383118248 /nfs/dbraw/zinc/11/82/48/1383118248.db2.gz WWTCPESZSCWOCI-UHFFFAOYSA-N 1 0 335.367 3.491 20 5 EGBDRO COc1ccnc(-n2c(C[NH3+])cc3cc(Cl)ccc32)c1[N+](=O)[O-] ZINC001163896339 1383133744 /nfs/dbraw/zinc/13/37/44/1383133744.db2.gz DCXIUFKGFNMHHP-UHFFFAOYSA-N 1 0 332.747 3.054 20 5 EGBDRO C[C@@]1(C[NH3+])CCCN(c2ccc(-c3ccccc3[N+](=O)[O-])nn2)CC1 ZINC001164247730 1383170995 /nfs/dbraw/zinc/17/09/95/1383170995.db2.gz KTRDLZQLURLVGC-GOSISDBHSA-N 1 0 341.415 3.007 20 5 EGBDRO CC[NH+]1CCC(N(C)C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)CC1 ZINC001165068908 1383221725 /nfs/dbraw/zinc/22/17/25/1383221725.db2.gz YQWGJTIFSSOREH-UHFFFAOYSA-N 1 0 348.781 3.109 20 5 EGBDRO Cc1ccnc(N2C[C@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)c1[N+](=O)[O-] ZINC001165083520 1383224409 /nfs/dbraw/zinc/22/44/09/1383224409.db2.gz GSMTVBKQKBGAKN-IAGOWNOFSA-N 1 0 338.411 3.009 20 5 EGBDRO CC(C)[N@@H+]1CCN(c2nc(Cl)c(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC001165199401 1383246100 /nfs/dbraw/zinc/24/61/00/1383246100.db2.gz TVGRREFHLSZLKJ-SECBINFHSA-N 1 0 333.219 3.216 20 5 EGBDRO CCCCC1(C(=O)NCCC[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001165895858 1383359992 /nfs/dbraw/zinc/35/99/92/1383359992.db2.gz UOFMLBNOCJJHDN-UHFFFAOYSA-N 1 0 333.432 3.161 20 5 EGBDRO c1cn(-c2ccc3ccc4cccnc4c3n2)c([C@H]2CCC[NH2+]C2)n1 ZINC001167055654 1383529318 /nfs/dbraw/zinc/52/93/18/1383529318.db2.gz IXMGPEZWLWUTOO-INIZCTEOSA-N 1 0 329.407 3.436 20 5 EGBDRO [NH3+]Cc1nn(-c2ccc(C(F)(F)F)c([N+](=O)[O-])c2)c2ccccc12 ZINC001167697499 1383714601 /nfs/dbraw/zinc/71/46/01/1383714601.db2.gz CKSUQLHWYFVNEZ-UHFFFAOYSA-N 1 0 336.273 3.411 20 5 EGBDRO CC1(C)CC(Nc2cc3c(cc2[N+](=O)[O-])C[NH2+]C3)CC(C)(C)N1O ZINC001167717874 1383721081 /nfs/dbraw/zinc/72/10/81/1383721081.db2.gz GACCYQOUNNJKKK-UHFFFAOYSA-N 1 0 334.420 3.021 20 5 EGBDRO CC(C)(C)OC(=O)c1cccc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001168965819 1384072496 /nfs/dbraw/zinc/07/24/96/1384072496.db2.gz COFHWNQKJPHHNB-HOCLYGCPSA-N 1 0 334.416 3.177 20 5 EGBDRO CC(C)(C)OC(=O)c1cccc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001168965821 1384072758 /nfs/dbraw/zinc/07/27/58/1384072758.db2.gz COFHWNQKJPHHNB-ZBFHGGJFSA-N 1 0 334.416 3.177 20 5 EGBDRO Cc1cc(C)n(-c2ccc(C[NH2+][C@H]3CC[C@H](C[N+](=O)[O-])C3)cc2)n1 ZINC001168971853 1384074266 /nfs/dbraw/zinc/07/42/66/1384074266.db2.gz LSYADYSCGROLIN-IRXDYDNUSA-N 1 0 328.416 3.024 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CCc2ccc(OC(F)(F)F)cc2)C1 ZINC001168978123 1384076571 /nfs/dbraw/zinc/07/65/71/1384076571.db2.gz OOJXICNNVZZYNA-CHWSQXEVSA-N 1 0 332.322 3.163 20 5 EGBDRO COc1ccc2c(c1)c(CC[NH3+])c(C)n2[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168977863 1384076671 /nfs/dbraw/zinc/07/66/71/1384076671.db2.gz NCJNIBYJIWFFAO-KGLIPLIRSA-N 1 0 331.416 3.077 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H](CO)c2ccc(Cl)cc2Cl)C1 ZINC001168976751 1384076722 /nfs/dbraw/zinc/07/67/22/1384076722.db2.gz GBLLWJJFJCANIC-OLUVUFQESA-N 1 0 333.215 3.062 20 5 EGBDRO COc1cccc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)c1C(F)(F)F ZINC001168978952 1384077729 /nfs/dbraw/zinc/07/77/29/1384077729.db2.gz VVSZFPRGDAVILB-JQWIXIFHSA-N 1 0 332.322 3.249 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CC[C@@H]2CCc3ccc4c(c32)CCO4)C1 ZINC001168984726 1384079731 /nfs/dbraw/zinc/07/97/31/1384079731.db2.gz QFUBFLPMSUYJDD-KBMXLJTQSA-N 1 0 330.428 3.076 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+][C@@H]2CCc3c2cccc3Br)C1 ZINC001168988021 1384079986 /nfs/dbraw/zinc/07/99/86/1384079986.db2.gz MPCXBQOCNCYGMG-ZIBATOQPSA-N 1 0 339.233 3.471 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CCc2cc(C(F)(F)F)ccc2F)C1 ZINC001168988179 1384080436 /nfs/dbraw/zinc/08/04/36/1384080436.db2.gz OTBVAMQDACMLSD-GXFFZTMASA-N 1 0 334.313 3.422 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2csc(-c3cccc(F)c3)n2)C1 ZINC001169003591 1384084871 /nfs/dbraw/zinc/08/48/71/1384084871.db2.gz OMRQVGAUNQYDFR-BXUZGUMPSA-N 1 0 335.404 3.484 20 5 EGBDRO C[C@H]1C[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC[C@@]1(C)c1cccc(O)c1 ZINC001169034012 1384094345 /nfs/dbraw/zinc/09/43/45/1384094345.db2.gz FENWXRGYKCMTIT-JHDROBOHSA-N 1 0 332.444 3.437 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCC(OCc3ccc(F)cc3)CC2)C1 ZINC001169030084 1384094560 /nfs/dbraw/zinc/09/45/60/1384094560.db2.gz VZDOKJURNONAOH-WBVHZDCISA-N 1 0 336.407 3.252 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCC(Oc3cccc(Cl)n3)CC2)C1 ZINC001169035824 1384096036 /nfs/dbraw/zinc/09/60/36/1384096036.db2.gz CPNQPTCZSOCBOG-OLZOCXBDSA-N 1 0 339.823 3.024 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCC(Oc3cccc(Cl)n3)CC2)C1 ZINC001169035826 1384096108 /nfs/dbraw/zinc/09/61/08/1384096108.db2.gz CPNQPTCZSOCBOG-STQMWFEESA-N 1 0 339.823 3.024 20 5 EGBDRO C[C@H]1CCN(Cc2ccccc2)C[C@H]1[N@H+](C)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169037215 1384096946 /nfs/dbraw/zinc/09/69/46/1384096946.db2.gz REKUVUIQGXILNI-FRYIKTPZSA-N 1 0 345.487 3.274 20 5 EGBDRO CCOc1ccc(NC2CC[NH+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)cc1 ZINC001169042133 1384098697 /nfs/dbraw/zinc/09/86/97/1384098697.db2.gz CZPNMJNBDHBUGK-MAUKXSAKSA-N 1 0 347.459 3.407 20 5 EGBDRO COc1cccc([C@@H]2CSCC[N@@H+]2[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001169056835 1384102045 /nfs/dbraw/zinc/10/20/45/1384102045.db2.gz SYYIHFMKNLPCOK-UNEWFSDZSA-N 1 0 336.457 3.231 20 5 EGBDRO COc1ccc(N2CCC[C@H]([NH3+])c3cc(C)ccc32)nc1[N+](=O)[O-] ZINC001169684395 1384173587 /nfs/dbraw/zinc/17/35/87/1384173587.db2.gz UQGSJWSQMUQODB-ZDUSSCGKSA-N 1 0 328.372 3.239 20 5 EGBDRO CC(C)[C@H](Nc1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-])c1ccc(F)cc1 ZINC001170063017 1384226971 /nfs/dbraw/zinc/22/69/71/1384226971.db2.gz JNXMEUAYICXDGG-AWEZNQCLSA-N 1 0 345.378 3.020 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)N3C)c([N+](=O)[O-])c1 ZINC001170305548 1384287154 /nfs/dbraw/zinc/28/71/54/1384287154.db2.gz MZDPOUMGLHRHJA-MXASKKJJSA-N 1 0 347.459 3.139 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+]CC(=O)c2ccccc2F)c([N+](=O)[O-])c1 ZINC001170311037 1384288051 /nfs/dbraw/zinc/28/80/51/1384288051.db2.gz YSPSZKGGIZQQCX-LBPRGKRZSA-N 1 0 346.358 3.146 20 5 EGBDRO COc1ccc(C[C@H](C)[N@H+](C)Cc2cccc(O)c2)c([N+](=O)[O-])c1 ZINC001170328616 1384292007 /nfs/dbraw/zinc/29/20/07/1384292007.db2.gz KNIOJOOKOLFTPM-ZDUSSCGKSA-N 1 0 330.384 3.372 20 5 EGBDRO COc1ccc(C[C@@H](C)[N@@H+]2CCC[C@@]3(CCOC3)C2)c([N+](=O)[O-])c1 ZINC001170334108 1384293602 /nfs/dbraw/zinc/29/36/02/1384293602.db2.gz BNROUPQDEFYJJM-RDTXWAMCSA-N 1 0 334.416 3.037 20 5 EGBDRO COc1ccc(C[C@H](C)[N@@H+]2CCC[C@@](C)(CO)CC2)c([N+](=O)[O-])c1 ZINC001170335496 1384294682 /nfs/dbraw/zinc/29/46/82/1384294682.db2.gz ORKQHXVRSPUIGF-KBXCAEBGSA-N 1 0 336.432 3.019 20 5 EGBDRO CC[N@H+](Cc1cccnc1)[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170345172 1384295992 /nfs/dbraw/zinc/29/59/92/1384295992.db2.gz HFPAWEIGEQCZIZ-CQSZACIVSA-N 1 0 329.400 3.452 20 5 EGBDRO COc1ccc(C[C@H](C)[N@@H+]2CC[C@H](c3ccccn3)C2)c([N+](=O)[O-])c1 ZINC001170346560 1384296747 /nfs/dbraw/zinc/29/67/47/1384296747.db2.gz OFVZADBQCPTRLN-HOCLYGCPSA-N 1 0 341.411 3.419 20 5 EGBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC2CC(C)(C)[NH+](C)C(C)(C)C2)c1 ZINC001170453288 1384323232 /nfs/dbraw/zinc/32/32/32/1384323232.db2.gz HQHFTPDPEXBBBA-UHFFFAOYSA-N 1 0 349.431 3.445 20 5 EGBDRO C[C@@H](Nc1nc2c(ccc3ccccc32)nc1Cl)[C@H]1C[NH2+]CCO1 ZINC001170568448 1384344230 /nfs/dbraw/zinc/34/42/30/1384344230.db2.gz HYYQKTBXKMWUEI-IAQYHMDHSA-N 1 0 342.830 3.225 20 5 EGBDRO C[C@H]([NH3+])c1ncc(-c2ccccc2)n1-c1ccc2c(n1)[nH]cc2[N+](=O)[O-] ZINC001170679118 1384363261 /nfs/dbraw/zinc/36/32/61/1384363261.db2.gz OZXDUUFNECOREH-NSHDSACASA-N 1 0 348.366 3.344 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]CCc1cccc(O)c1)CC2 ZINC001172900276 1384874334 /nfs/dbraw/zinc/87/43/34/1384874334.db2.gz RWUHVBRTACSTMJ-QGZVFWFLSA-N 1 0 326.396 3.380 20 5 EGBDRO CC(C)(C)OC(=O)CC[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172900379 1384874353 /nfs/dbraw/zinc/87/43/53/1384874353.db2.gz SSIMCIQGULBJEN-HNNXBMFYSA-N 1 0 334.416 3.164 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CCC[C@](F)(CO)CC1)CC2 ZINC001172902846 1384874910 /nfs/dbraw/zinc/87/49/10/1384874910.db2.gz CXCNSGMZPHXUNB-SJLPKXTDSA-N 1 0 336.407 3.029 20 5 EGBDRO CC(C)Cn1cnc(C[NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)c1 ZINC001172905546 1384875390 /nfs/dbraw/zinc/87/53/90/1384875390.db2.gz RYZJFWNMFSRABU-KRWDZBQOSA-N 1 0 342.443 3.485 20 5 EGBDRO COc1cccc(C[NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)n1 ZINC001172904558 1384875454 /nfs/dbraw/zinc/87/54/54/1384875454.db2.gz YFPXHVICHAKXGS-HNNXBMFYSA-N 1 0 327.384 3.036 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]Cc1cccc3ccnn31)CC2 ZINC001172904638 1384875486 /nfs/dbraw/zinc/87/54/86/1384875486.db2.gz ZCCBCTJLKVVISH-INIZCTEOSA-N 1 0 336.395 3.280 20 5 EGBDRO COC(=O)[C@H]1CCC[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172911743 1384876246 /nfs/dbraw/zinc/87/62/46/1384876246.db2.gz FNXGTSRHZIIOCP-RDJZCZTQSA-N 1 0 346.427 3.117 20 5 EGBDRO COc1ccc(C[NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)nc1 ZINC001172911892 1384876292 /nfs/dbraw/zinc/87/62/92/1384876292.db2.gz KUJCBLVOKRWNES-OAHLLOKOSA-N 1 0 327.384 3.036 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1CCC3(C1)CCOCC3)CC2 ZINC001172915436 1384877448 /nfs/dbraw/zinc/87/74/48/1384877448.db2.gz MZVZSUSLEPKJGV-KRWDZBQOSA-N 1 0 330.428 3.345 20 5 EGBDRO CC(C)(C)N1CC[NH+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172915512 1384877813 /nfs/dbraw/zinc/87/78/13/1384877813.db2.gz NSNVFRONIIWLHM-KRWDZBQOSA-N 1 0 331.460 3.258 20 5 EGBDRO CC1(C[NH2+]C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)CC1 ZINC001173005562 1384897088 /nfs/dbraw/zinc/89/70/88/1384897088.db2.gz HXGHROAPYOITMI-UHFFFAOYSA-N 1 0 325.359 3.232 20 5 EGBDRO O=[N+]([O-])c1cc(F)c(N2CCC([N@@H+]3CCC[C@H]4C[C@H]43)CC2)c(F)c1 ZINC001173020040 1384897679 /nfs/dbraw/zinc/89/76/79/1384897679.db2.gz PKOWWJCZAUOWQG-MEDUHNTESA-N 1 0 337.370 3.326 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@@H](C)c2cccnc2)c1F ZINC001173175094 1384930919 /nfs/dbraw/zinc/93/09/19/1384930919.db2.gz KQTQBEXIFQVLAP-NEPJUHHUSA-N 1 0 333.363 3.419 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]Cc2cncc(C)c2)c1F ZINC001173174780 1384931040 /nfs/dbraw/zinc/93/10/40/1384931040.db2.gz BRGNMKCCQVTBAT-LBPRGKRZSA-N 1 0 333.363 3.167 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]Cc2cccc(O)c2)c1F ZINC001173177605 1384931618 /nfs/dbraw/zinc/93/16/18/1384931618.db2.gz VVJFUTHKEIZRAG-NSHDSACASA-N 1 0 334.347 3.169 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CC(=O)c2ccccc2)c1F ZINC001173178116 1384931914 /nfs/dbraw/zinc/93/19/14/1384931914.db2.gz IWAXERRYIXATDJ-GFCCVEGCSA-N 1 0 346.358 3.146 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]Cc2ncc(C)s2)c1F ZINC001173182157 1384932295 /nfs/dbraw/zinc/93/22/95/1384932295.db2.gz IFHFYMPRIOBBTR-SECBINFHSA-N 1 0 339.392 3.228 20 5 EGBDRO CCCCOCCC[NH2+][C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173189964 1384933428 /nfs/dbraw/zinc/93/34/28/1384933428.db2.gz RXCWXXYFRXWKDG-ZDUSSCGKSA-N 1 0 342.411 3.470 20 5 EGBDRO COc1ccc(CC[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)cc1OC ZINC001173211174 1384936209 /nfs/dbraw/zinc/93/62/09/1384936209.db2.gz QMMMKNBFZUGBAX-CQSZACIVSA-N 1 0 344.411 3.375 20 5 EGBDRO COC[C@H](Cc1ccccc1)[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173219606 1384938601 /nfs/dbraw/zinc/93/86/01/1384938601.db2.gz OEUMOGYDQFYCMN-YJBOKZPZSA-N 1 0 328.412 3.373 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cn(CC2CCC2)cn1 ZINC001173224776 1384939185 /nfs/dbraw/zinc/93/91/85/1384939185.db2.gz OWAOSPZQOFTLIB-AWEZNQCLSA-N 1 0 328.416 3.312 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC001173226425 1384939539 /nfs/dbraw/zinc/93/95/39/1384939539.db2.gz KDENFTQOTLDFTQ-KBXCAEBGSA-N 1 0 327.384 3.074 20 5 EGBDRO CCN(CC)C(=O)[C@H]1CCC[N@@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173230622 1384940769 /nfs/dbraw/zinc/94/07/69/1384940769.db2.gz ZEFUJJUHDKTAGE-RDJZCZTQSA-N 1 0 347.459 3.106 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](CO)Cc1ccccc1Cl ZINC001173233885 1384941232 /nfs/dbraw/zinc/94/12/32/1384941232.db2.gz KRNALBUDNUUAGS-BBRMVZONSA-N 1 0 348.830 3.372 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](Oc2ccncc2)C1 ZINC001173236871 1384942050 /nfs/dbraw/zinc/94/20/50/1384942050.db2.gz FPTNAVJOZNTMQK-BEFAXECRSA-N 1 0 341.411 3.464 20 5 EGBDRO Nc1cn(-c2cc([N+](=O)[O-])ccc2F)cc(-c2cccc(F)c2)c1=[NH2+] ZINC001175734125 1385388257 /nfs/dbraw/zinc/38/82/57/1385388257.db2.gz LEQXCDYWQMTONS-UHFFFAOYSA-N 1 0 342.305 3.392 20 5 EGBDRO CC[C@H](Cc1ccc(F)cc1)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001336001046 1388986788 /nfs/dbraw/zinc/98/67/88/1388986788.db2.gz ONUXTQKBXRHVCE-AEFFLSMTSA-N 1 0 332.375 3.378 20 5 EGBDRO CC(C)(C)c1ccc(C(=O)N2CC[NH+](C(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC001317989258 1385602953 /nfs/dbraw/zinc/60/29/53/1385602953.db2.gz MGMPLJIKXSUSGA-UHFFFAOYSA-N 1 0 347.459 3.449 20 5 EGBDRO O=C(CC[N@@H+]1CC[C@H]2CCCC[C@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC001319291275 1386047266 /nfs/dbraw/zinc/04/72/66/1386047266.db2.gz MLWIJDWHYIPYTM-CABCVRRESA-N 1 0 331.416 3.436 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001319519716 1386157864 /nfs/dbraw/zinc/15/78/64/1386157864.db2.gz NRBCEZJLFTXFKJ-ZFWWWQNUSA-N 1 0 334.420 3.206 20 5 EGBDRO CC1(C(=O)NCCCCCC[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001178540383 1386244942 /nfs/dbraw/zinc/24/49/42/1386244942.db2.gz VWJKOCVJAOCAOK-UHFFFAOYSA-N 1 0 333.432 3.161 20 5 EGBDRO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC001319838572 1386328371 /nfs/dbraw/zinc/32/83/71/1386328371.db2.gz RZDMDPULFFAJNR-OCCSQVGLSA-N 1 0 340.811 3.243 20 5 EGBDRO CCOc1ccc2c(c1)C[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC001320660912 1386684551 /nfs/dbraw/zinc/68/45/51/1386684551.db2.gz RMUZPBZSNLRJHT-IBGZPJMESA-N 1 0 342.395 3.085 20 5 EGBDRO COc1ccc(OCC[N@@H+]2CC[C@@H]3CCCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001322157734 1387080764 /nfs/dbraw/zinc/08/07/64/1387080764.db2.gz NTWIHBPDAZSFIV-LSDHHAIUSA-N 1 0 334.416 3.494 20 5 EGBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CC[NH+](C(C)(C)C)CC1 ZINC001330591748 1389463536 /nfs/dbraw/zinc/46/35/36/1389463536.db2.gz WKONWAUASHXYAP-UHFFFAOYSA-N 1 0 344.415 3.072 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCCC[N@H+]2CCCC[C@H]2C)c1C ZINC001331565643 1389803828 /nfs/dbraw/zinc/80/38/28/1389803828.db2.gz JNPGTXNOBKIEFX-CQSZACIVSA-N 1 0 333.432 3.206 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](C)CC(=O)OC(C)(C)C ZINC001333320237 1390283456 /nfs/dbraw/zinc/28/34/56/1390283456.db2.gz CVCPNOBPFKVHCA-RYUDHWBXSA-N 1 0 338.404 3.374 20 5 EGBDRO C[NH2+]Cc1ccc(NC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC001340935671 1390408510 /nfs/dbraw/zinc/40/85/10/1390408510.db2.gz HQGKHVUBZKRZDA-IAGOWNOFSA-N 1 0 325.368 3.056 20 5 EGBDRO CC[NH+](CC)CC[C@H](C)NC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001341281529 1390465715 /nfs/dbraw/zinc/46/57/15/1390465715.db2.gz SYFIEPVTEVETIP-KBPBESRZSA-N 1 0 336.436 3.075 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@@H](CC[NH3+])c2ccccc21 ZINC001341523717 1390497967 /nfs/dbraw/zinc/49/79/67/1390497967.db2.gz ACVVHRDIYPZFDS-CQSZACIVSA-N 1 0 339.395 3.304 20 5 EGBDRO COC(=O)c1ccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1C ZINC001335238534 1390658505 /nfs/dbraw/zinc/65/85/05/1390658505.db2.gz RVFOPJOOHGCXLD-UHFFFAOYSA-N 1 0 328.368 3.288 20 5 EGBDRO CC[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001335412715 1390681389 /nfs/dbraw/zinc/68/13/89/1390681389.db2.gz JUQVSTSBQAWVGP-WMZOPIPTSA-N 1 0 332.375 3.378 20 5 EGBDRO CCc1csc([C@H](C)[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])n1 ZINC001335468924 1390688213 /nfs/dbraw/zinc/68/82/13/1390688213.db2.gz XRIFMMPONZSVOW-NSHDSACASA-N 1 0 348.428 3.293 20 5 EGBDRO C[NH+](C)[C@H]1CCC[C@H](Nc2ncnc3c(Cl)cc([N+](=O)[O-])cc23)C1 ZINC001347219614 1391030685 /nfs/dbraw/zinc/03/06/85/1391030685.db2.gz KYNWRURFDPDDJU-QWRGUYRKSA-N 1 0 349.822 3.476 20 5 EGBDRO CCCC1(C(=O)N(C)CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCC1 ZINC001753220204 1440340147 /nfs/dbraw/zinc/34/01/47/1440340147.db2.gz POLFYSFPYDBNQP-UHFFFAOYSA-N 1 0 333.432 3.113 20 5 EGBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1c1nc2ccccc2c(Cl)c1[N+](=O)[O-] ZINC001164634212 719188959 /nfs/dbraw/zinc/18/89/59/719188959.db2.gz ITHQWEDBAKKMNC-GHMZBOCLSA-N 1 0 334.807 3.325 20 5 EGBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](Cc3ccc(F)cc3)CC2)nc1 ZINC000052467204 214129947 /nfs/dbraw/zinc/12/99/47/214129947.db2.gz PMDUKGKGNWSMJY-UHFFFAOYSA-N 1 0 330.363 3.205 20 5 EGBDRO CC[C@H](NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000133054745 529584792 /nfs/dbraw/zinc/58/47/92/529584792.db2.gz QJJTZOSCXIUCHU-KXBFYZLASA-N 1 0 347.459 3.136 20 5 EGBDRO CC[C@H]([NH2+]CCCNC(=O)c1occc1C)c1cccc([N+](=O)[O-])c1 ZINC000181076184 529598528 /nfs/dbraw/zinc/59/85/28/529598528.db2.gz QNOAMDACINSDBN-INIZCTEOSA-N 1 0 345.399 3.357 20 5 EGBDRO C[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C[C@H]1CCCOC1 ZINC000153634742 530018520 /nfs/dbraw/zinc/01/85/20/530018520.db2.gz QFVUIMHVPDSLAU-CYBMUJFWSA-N 1 0 331.372 3.108 20 5 EGBDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)c2cn(C)nc2C)cc1[N+](=O)[O-] ZINC000179419505 233012580 /nfs/dbraw/zinc/01/25/80/233012580.db2.gz KJWFRNLLSRNFTI-NWDGAFQWSA-N 1 0 332.404 3.447 20 5 EGBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@H](CCCO)c2ccccc2)cc1 ZINC000179727126 233376760 /nfs/dbraw/zinc/37/67/60/233376760.db2.gz FAUZLJBIGBWSDR-GOSISDBHSA-N 1 0 330.384 3.077 20 5 EGBDRO Cc1cc(C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc([N+](=O)[O-])c1 ZINC000181438797 234186669 /nfs/dbraw/zinc/18/66/69/234186669.db2.gz WVENXIRYBNNLLO-GJZGRUSLSA-N 1 0 345.443 3.286 20 5 EGBDRO Cc1cc(C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc([N+](=O)[O-])c1 ZINC000181438773 234187009 /nfs/dbraw/zinc/18/70/09/234187009.db2.gz WVENXIRYBNNLLO-HUUCEWRRSA-N 1 0 345.443 3.286 20 5 EGBDRO Cc1c(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2cccc(O)c2)cccc1[N+](=O)[O-] ZINC000181546748 234226614 /nfs/dbraw/zinc/22/66/14/234226614.db2.gz LIACTHHGUTVYCS-QWHCGFSZSA-N 1 0 343.383 3.287 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)N(C)c2ccccc2)cc1[N+](=O)[O-] ZINC000181807696 234330118 /nfs/dbraw/zinc/33/01/18/234330118.db2.gz AAMUZCMKJVRRBW-AWEZNQCLSA-N 1 0 327.384 3.217 20 5 EGBDRO Cc1nn(C)c(NCc2ccccc2C[N@@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000069775253 215574951 /nfs/dbraw/zinc/57/49/51/215574951.db2.gz RWFBIBHOBABEIU-UHFFFAOYSA-N 1 0 331.420 3.089 20 5 EGBDRO CCC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)CC1CC1 ZINC000072950246 216330826 /nfs/dbraw/zinc/33/08/26/216330826.db2.gz JSNYMLDBPUPVGW-UHFFFAOYSA-N 1 0 325.796 3.309 20 5 EGBDRO CC[C@H](C[NH2+]Cc1csc([N+](=O)[O-])c1)NC(=O)OC(C)(C)C ZINC000227720781 242134894 /nfs/dbraw/zinc/13/48/94/242134894.db2.gz INMJRPKWWAMTTK-LLVKDONJSA-N 1 0 329.422 3.049 20 5 EGBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1nc2sccn2c1[N+](=O)[O-] ZINC000229640463 242185003 /nfs/dbraw/zinc/18/50/03/242185003.db2.gz BASXIAGOQRVNSQ-UTUOFQBUSA-N 1 0 337.449 3.082 20 5 EGBDRO Cc1c(NC(=O)N2CCC(CCC[NH+](C)C)CC2)cccc1[N+](=O)[O-] ZINC000133078121 223386493 /nfs/dbraw/zinc/38/64/93/223386493.db2.gz ZISAHKQGEORIEU-UHFFFAOYSA-N 1 0 348.447 3.489 20 5 EGBDRO CCCCNC(=O)c1ccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000236799545 242361665 /nfs/dbraw/zinc/36/16/65/242361665.db2.gz YFACEUGOBMNXOQ-UHFFFAOYSA-N 1 0 341.411 3.415 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCS[C@@H](C)[C@H]1C ZINC000246469493 243257887 /nfs/dbraw/zinc/25/78/87/243257887.db2.gz XIFFKVSOWDWCHY-OLZOCXBDSA-N 1 0 337.445 3.058 20 5 EGBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000080163698 217285496 /nfs/dbraw/zinc/28/54/96/217285496.db2.gz GIRYAEWEPRKJJU-LLVKDONJSA-N 1 0 340.811 3.054 20 5 EGBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000264161884 246126159 /nfs/dbraw/zinc/12/61/59/246126159.db2.gz YGPKKUUKTRTAMF-SNVBAGLBSA-N 1 0 328.800 3.100 20 5 EGBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CCC[C@H](C)C1 ZINC000264941991 247069253 /nfs/dbraw/zinc/06/92/53/247069253.db2.gz SBUDBRQMKUZFCE-RYUDHWBXSA-N 1 0 339.823 3.098 20 5 EGBDRO O=[N+]([O-])c1ccccc1NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000266221331 248184229 /nfs/dbraw/zinc/18/42/29/248184229.db2.gz HXPILHUXZZHYRE-UHFFFAOYSA-N 1 0 341.411 3.164 20 5 EGBDRO CCC[C@H]1CN(C/C=C/c2ccccc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000091858090 218078190 /nfs/dbraw/zinc/07/81/90/218078190.db2.gz DELODEDGWIPXGY-YOCVDRLZSA-N 1 0 347.459 3.041 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000094122347 218265755 /nfs/dbraw/zinc/26/57/55/218265755.db2.gz GMSATMLUBUBOOK-UHFFFAOYSA-N 1 0 333.432 3.124 20 5 EGBDRO Cc1c([C@@H](C)[NH2+]CCS(=O)(=O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000268816221 252267615 /nfs/dbraw/zinc/26/76/15/252267615.db2.gz PTWNSBLADDUALT-CQSZACIVSA-N 1 0 348.424 3.028 20 5 EGBDRO COc1ccccc1[C@@H](CC(C)C)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000181697725 532969229 /nfs/dbraw/zinc/96/92/29/532969229.db2.gz XUCANEBAAKMMBE-OAHLLOKOSA-N 1 0 332.404 3.177 20 5 EGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000072089526 285085943 /nfs/dbraw/zinc/08/59/43/285085943.db2.gz NHEQGYIONVCBRR-GFCCVEGCSA-N 1 0 329.322 3.288 20 5 EGBDRO [NH3+][C@H]1CC[C@@H](C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000269220194 255547379 /nfs/dbraw/zinc/54/73/79/255547379.db2.gz NCFDDCMFQLUGRX-OLZOCXBDSA-N 1 0 341.367 3.453 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000120209261 221514625 /nfs/dbraw/zinc/51/46/25/221514625.db2.gz CDEQJJWJQDBQGX-OAHLLOKOSA-N 1 0 346.431 3.161 20 5 EGBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccc(-n2cccn2)cc1 ZINC000338363356 141107769 /nfs/dbraw/zinc/10/77/69/141107769.db2.gz URJDDDHODIYDBA-UHFFFAOYSA-N 1 0 336.395 3.455 20 5 EGBDRO COCC[C@H]([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C(C)(C)C ZINC000338370303 141109851 /nfs/dbraw/zinc/10/98/51/141109851.db2.gz DKAJGISKKCHHTL-AWEZNQCLSA-N 1 0 348.403 3.186 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCc1nc(-c2ccncc2)cs1 ZINC000344553476 141172744 /nfs/dbraw/zinc/17/27/44/141172744.db2.gz ORQALVZXHMVKCH-UHFFFAOYSA-N 1 0 340.408 3.446 20 5 EGBDRO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)C[NH+](C)C ZINC000346266369 141188847 /nfs/dbraw/zinc/18/88/47/141188847.db2.gz OWLGTXSVGJOGPZ-GFCCVEGCSA-N 1 0 339.461 3.167 20 5 EGBDRO O=[N+]([O-])c1cnn(CC[NH2+]C2(c3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000350724236 141262783 /nfs/dbraw/zinc/26/27/83/141262783.db2.gz IZTIZXBFXZPBSJ-UHFFFAOYSA-N 1 0 341.198 3.377 20 5 EGBDRO COc1c(C(=O)Nc2cccc(-n3ccnc3)c2)cccc1[N+](=O)[O-] ZINC000354589318 141311532 /nfs/dbraw/zinc/31/15/32/141311532.db2.gz BROARNJBEVLPFT-UHFFFAOYSA-N 1 0 338.323 3.041 20 5 EGBDRO CC[NH+](CC)CCCNc1ncc([N+](=O)[O-])c(C)c1Br ZINC000165713847 143988647 /nfs/dbraw/zinc/98/86/47/143988647.db2.gz GKKFNRXPWKYKEV-UHFFFAOYSA-N 1 0 345.241 3.205 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)c1 ZINC000173196487 144037070 /nfs/dbraw/zinc/03/70/70/144037070.db2.gz OKAZGJWGIIGNEH-RDTXWAMCSA-N 1 0 333.432 3.144 20 5 EGBDRO CCC1(CC)[C@H]([NH2+][C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1OC ZINC000178365635 144069980 /nfs/dbraw/zinc/06/99/80/144069980.db2.gz FQEPVUSABIZGML-APHBMKBZSA-N 1 0 349.431 3.105 20 5 EGBDRO C[C@@H]([NH3+])C1CCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 ZINC000178864994 144076638 /nfs/dbraw/zinc/07/66/38/144076638.db2.gz LXIXVAFOIBEVGY-GFCCVEGCSA-N 1 0 333.432 3.092 20 5 EGBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000186742477 144142403 /nfs/dbraw/zinc/14/24/03/144142403.db2.gz XQYMIEMPLFTIHY-OLZOCXBDSA-N 1 0 349.456 3.016 20 5 EGBDRO CN(c1ccccc1)c1ccc(C[NH2+]CCN2CCC2)cc1[N+](=O)[O-] ZINC000344845431 144229925 /nfs/dbraw/zinc/22/99/25/144229925.db2.gz JOXUKOGMLORLQI-UHFFFAOYSA-N 1 0 340.427 3.158 20 5 EGBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000345524615 144247871 /nfs/dbraw/zinc/24/78/71/144247871.db2.gz GMFVSQLEQQLETJ-OLZOCXBDSA-N 1 0 339.411 3.074 20 5 EGBDRO COC[C@H](C)[N@H+](C)Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000352285015 144322627 /nfs/dbraw/zinc/32/26/27/144322627.db2.gz CYTKNBFDVQVGTF-LBPRGKRZSA-N 1 0 334.372 3.330 20 5 EGBDRO CC(=O)c1cc(NC[C@H](Cc2ccccc2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000341336980 155239199 /nfs/dbraw/zinc/23/91/99/155239199.db2.gz DEKSRSCUAZQKBM-KRWDZBQOSA-N 1 0 341.411 3.382 20 5 EGBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2C[C@@H]3CCCC[C@]32c2ccccc2)c1 ZINC000120157901 152256541 /nfs/dbraw/zinc/25/65/41/152256541.db2.gz COGHCDYWGFRRIQ-WMZOPIPTSA-N 1 0 326.400 3.193 20 5 EGBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2C[C@H]3CCCC[C@]32c2ccccc2)c1 ZINC000120157599 152256711 /nfs/dbraw/zinc/25/67/11/152256711.db2.gz COGHCDYWGFRRIQ-AEFFLSMTSA-N 1 0 326.400 3.193 20 5 EGBDRO CCO[C@H]1C[C@@H]([N@H+](C)Cc2ccc(OC)c([N+](=O)[O-])c2)C12CCC2 ZINC000120811579 152301418 /nfs/dbraw/zinc/30/14/18/152301418.db2.gz YZSXXQCLPUQXMM-SJORKVTESA-N 1 0 334.416 3.383 20 5 EGBDRO O=[N+]([O-])c1ccccc1CNC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192920355 153266596 /nfs/dbraw/zinc/26/65/96/153266596.db2.gz FOZBDSFRPGXFKK-KRWDZBQOSA-N 1 0 325.412 3.207 20 5 EGBDRO Cc1cnc(N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000309935136 154139398 /nfs/dbraw/zinc/13/93/98/154139398.db2.gz ALVIZNCDSJRLTJ-MRXNPFEDSA-N 1 0 326.400 3.375 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)n1 ZINC000336703971 154209510 /nfs/dbraw/zinc/20/95/10/154209510.db2.gz LSAIKVXXTQFRIF-GOEBONIOSA-N 1 0 326.400 3.373 20 5 EGBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[NH2+][C@@H]2CCO[C@H]2C2CC2)c1 ZINC000339125418 154709205 /nfs/dbraw/zinc/70/92/05/154709205.db2.gz VNDFKAJMWBRGFM-KGLIPLIRSA-N 1 0 330.306 3.271 20 5 EGBDRO Cc1cc(Cc2noc(-c3ccc4c[nH+]cn4c3)n2)ccc1[N+](=O)[O-] ZINC000346870788 156171843 /nfs/dbraw/zinc/17/18/43/156171843.db2.gz PHNDYJMMYXAGBP-UHFFFAOYSA-N 1 0 335.323 3.192 20 5 EGBDRO CC[N@H+](CCc1cccs1)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000346904352 156190755 /nfs/dbraw/zinc/19/07/55/156190755.db2.gz OFBWZGXJDOHWFC-UHFFFAOYSA-N 1 0 347.440 3.184 20 5 EGBDRO [NH3+]CCN(Cc1c[nH]nc1-c1ccsc1)c1ccccc1[N+](=O)[O-] ZINC000348923054 156289828 /nfs/dbraw/zinc/28/98/28/156289828.db2.gz RPJIELPSDQIEOU-UHFFFAOYSA-N 1 0 343.412 3.012 20 5 EGBDRO Cc1cccc2nc(Cn3cc(-c4cccc([N+](=O)[O-])c4)cn3)cn21 ZINC000349141768 156365519 /nfs/dbraw/zinc/36/55/19/156365519.db2.gz FSCLJWMNPQOKQQ-UHFFFAOYSA-N 1 0 333.351 3.463 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@]1(C)CCO[C@H]1C1CC1 ZINC000368765535 157284903 /nfs/dbraw/zinc/28/49/03/157284903.db2.gz PNNJTWGSGXDOKN-ROUUACIJSA-N 1 0 334.416 3.288 20 5 EGBDRO Cc1ccc(C(=O)NCCCCC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000110436479 162127801 /nfs/dbraw/zinc/12/78/01/162127801.db2.gz RDPKVVFRLWEGRS-UHFFFAOYSA-N 1 0 333.432 3.289 20 5 EGBDRO CC[C@@H](C)[C@](C)(O)C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000112380184 162174233 /nfs/dbraw/zinc/17/42/33/162174233.db2.gz UCENCFKNLNNIOW-MEBBXXQBSA-N 1 0 332.347 3.083 20 5 EGBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cccc(-n2cccn2)c1 ZINC000338347560 163218846 /nfs/dbraw/zinc/21/88/46/163218846.db2.gz HPRVIMHDFLEXSS-UHFFFAOYSA-N 1 0 336.395 3.455 20 5 EGBDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@H](C)c3ccc(C)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000343946283 164070959 /nfs/dbraw/zinc/07/09/59/164070959.db2.gz WUSKRVXHBKLUKK-QCSYZSNVSA-N 1 0 345.443 3.201 20 5 EGBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000343954217 164072543 /nfs/dbraw/zinc/07/25/43/164072543.db2.gz MMHVWNTZSAYNPU-SMDDNHRTSA-N 1 0 328.372 3.438 20 5 EGBDRO CCC[C@]1(CO)CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000344154344 164115242 /nfs/dbraw/zinc/11/52/42/164115242.db2.gz JBCQUFSBJBKRRN-SFHVURJKSA-N 1 0 336.432 3.367 20 5 EGBDRO C[C@H]1[C@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCCN1C ZINC000344370703 164165683 /nfs/dbraw/zinc/16/56/83/164165683.db2.gz YEMXDUUQXLNJIL-SUMWQHHRSA-N 1 0 329.400 3.427 20 5 EGBDRO C[C@@]1(C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCOC1 ZINC000344381896 164167605 /nfs/dbraw/zinc/16/76/05/164167605.db2.gz NEOKIMAVVUZZRH-INIZCTEOSA-N 1 0 333.413 3.235 20 5 EGBDRO C[C@@H]1CCCC[C@H]1OCC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000345633634 164231354 /nfs/dbraw/zinc/23/13/54/164231354.db2.gz KPTVGKJURMWPMM-BFYDXBDKSA-N 1 0 348.447 3.071 20 5 EGBDRO CCc1ccc([C@@H]2COCCN2CCOc2ccc([N+](=O)[O-])cc2)o1 ZINC000346523567 164391182 /nfs/dbraw/zinc/39/11/82/164391182.db2.gz BGEPBWQTNCNSRN-KRWDZBQOSA-N 1 0 346.383 3.203 20 5 EGBDRO CCc1ccc([C@H]([NH2+]CC2(O)CCC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000346553948 164395631 /nfs/dbraw/zinc/39/56/31/164395631.db2.gz NKNMIHWPYGXSAB-QGZVFWFLSA-N 1 0 330.384 3.344 20 5 EGBDRO CC(C)c1ccc(C[N@H+](CCO)[C@H]2CCCSC2)cc1[N+](=O)[O-] ZINC000355486941 166218187 /nfs/dbraw/zinc/21/81/87/166218187.db2.gz PRFXDJKKHZIQAD-HNNXBMFYSA-N 1 0 338.473 3.408 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H](CO)CC3CCC3)o2)cc1 ZINC000355533117 166234815 /nfs/dbraw/zinc/23/48/15/166234815.db2.gz OXQHKFHEFHAZBU-HNNXBMFYSA-N 1 0 330.384 3.496 20 5 EGBDRO Cc1c(CC(=O)N(C)CC[NH+](C(C)C)C(C)C)cccc1[N+](=O)[O-] ZINC000355861703 166330863 /nfs/dbraw/zinc/33/08/63/166330863.db2.gz JQELVSADYNVOMT-UHFFFAOYSA-N 1 0 335.448 3.023 20 5 EGBDRO Cn1cc2c(n1)CCC[C@@H]2[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000359003949 167034844 /nfs/dbraw/zinc/03/48/44/167034844.db2.gz OYUCXQOEYMSBKX-AWEZNQCLSA-N 1 0 334.807 3.191 20 5 EGBDRO Cc1c([C@@H](C)[NH2+]CC(=O)N2Cc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000359058585 167053411 /nfs/dbraw/zinc/05/34/11/167053411.db2.gz VFAQIXYBPBMPIZ-CQSZACIVSA-N 1 0 339.395 3.096 20 5 EGBDRO CC[C@H](C)[NH2+][C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1C)c1ccco1 ZINC000359555660 167192455 /nfs/dbraw/zinc/19/24/55/167192455.db2.gz KYGWIXAGXKKYEI-XJKSGUPXSA-N 1 0 345.399 3.355 20 5 EGBDRO CC[C@H](C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)[NH+](CC)CC ZINC000359671998 167206833 /nfs/dbraw/zinc/20/68/33/167206833.db2.gz CVPKTWFYOYGNMB-QGZVFWFLSA-N 1 0 333.432 3.206 20 5 EGBDRO CCN(C)c1ccc(C[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])cn1 ZINC000359696847 167211839 /nfs/dbraw/zinc/21/18/39/167211839.db2.gz QBAZDOIAQGQJDM-UHFFFAOYSA-N 1 0 348.834 3.432 20 5 EGBDRO CC(C)(C)n1cc(C[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)nn1 ZINC000359716646 167212398 /nfs/dbraw/zinc/21/23/98/167212398.db2.gz HRJAYLHDWZJOTQ-UHFFFAOYSA-N 1 0 331.420 3.054 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000163251326 264914889 /nfs/dbraw/zinc/91/48/89/264914889.db2.gz HEWODAAJMMXIFP-UHFFFAOYSA-N 1 0 334.420 3.147 20 5 EGBDRO CCc1ccc(C(=O)N[C@H](C)CCC[NH+](CC)CC)cc1[N+](=O)[O-] ZINC000174119275 265025884 /nfs/dbraw/zinc/02/58/84/265025884.db2.gz NYOWLMRTMICEGS-CQSZACIVSA-N 1 0 335.448 3.398 20 5 EGBDRO CCc1oc2ccccc2c1C[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000174812365 265073786 /nfs/dbraw/zinc/07/37/86/265073786.db2.gz HQSBRDHNYUOXTP-UHFFFAOYSA-N 1 0 328.372 3.232 20 5 EGBDRO C[C@H]([NH2+]CCc1ccc2c(c1)OCCO2)c1cccc([N+](=O)[O-])c1 ZINC000176209149 265162712 /nfs/dbraw/zinc/16/27/12/265162712.db2.gz CVGKAUXUHGETLU-ZDUSSCGKSA-N 1 0 328.368 3.259 20 5 EGBDRO COc1cc(C[N@H+](C)CCCOc2ccc([N+](=O)[O-])cc2)ccc1O ZINC000177053294 265225825 /nfs/dbraw/zinc/22/58/25/265225825.db2.gz RHNCPMIZHQTSOO-UHFFFAOYSA-N 1 0 346.383 3.210 20 5 EGBDRO C[C@@H]([NH3+])c1ccc(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)cc1 ZINC000178236244 265302332 /nfs/dbraw/zinc/30/23/32/265302332.db2.gz GNHZMOYUKYAOAS-CYBMUJFWSA-N 1 0 342.399 3.445 20 5 EGBDRO C[C@H]([NH2+]CC1(N2CCOCC2)CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000178532133 265324615 /nfs/dbraw/zinc/32/46/15/265324615.db2.gz CMKBPLYUKYBQTI-INIZCTEOSA-N 1 0 347.459 3.281 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000192952693 265999493 /nfs/dbraw/zinc/99/94/93/265999493.db2.gz CAFWYYLJPAWHAX-INIZCTEOSA-N 1 0 326.400 3.232 20 5 EGBDRO O=C1NCCCC[C@H]1[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000238089014 266254506 /nfs/dbraw/zinc/25/45/06/266254506.db2.gz GLXSQSPNYUBKPI-CQSZACIVSA-N 1 0 345.424 3.082 20 5 EGBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCCc3c2cnn3C)cc1[N+](=O)[O-] ZINC000271115457 266605685 /nfs/dbraw/zinc/60/56/85/266605685.db2.gz IGISUGUXSVCJSG-IUODEOHRSA-N 1 0 344.415 3.455 20 5 EGBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)[C@]12CCCO2 ZINC000273537100 267056129 /nfs/dbraw/zinc/05/61/29/267056129.db2.gz AQMZJSHDXOJHSG-ARFHVFGLSA-N 1 0 340.807 3.064 20 5 EGBDRO COCCC(C)(C)C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000273797404 267111589 /nfs/dbraw/zinc/11/15/89/267111589.db2.gz WPAXKAGQYHKEFD-MRXNPFEDSA-N 1 0 346.431 3.070 20 5 EGBDRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000274264412 267208195 /nfs/dbraw/zinc/20/81/95/267208195.db2.gz LDSUXJRAWHWVQV-HUUCEWRRSA-N 1 0 349.431 3.173 20 5 EGBDRO Cc1cccc(NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c1[N+](=O)[O-] ZINC000275475542 267367023 /nfs/dbraw/zinc/36/70/23/267367023.db2.gz OQGCXEOXZMNECY-QGZVFWFLSA-N 1 0 341.411 3.082 20 5 EGBDRO CCC(O)(CC)CC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000276193922 267492304 /nfs/dbraw/zinc/49/23/04/267492304.db2.gz HPFDZZWXBGKOME-UHFFFAOYSA-N 1 0 346.431 3.026 20 5 EGBDRO CO[C@H]1CCCC[C@H]1[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000277049130 267683571 /nfs/dbraw/zinc/68/35/71/267683571.db2.gz URHFZCLZSDQKIA-CVEARBPZSA-N 1 0 345.399 3.340 20 5 EGBDRO C[NH+](C)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000277146653 267706628 /nfs/dbraw/zinc/70/66/28/267706628.db2.gz KLKYFVAXFTVZRK-LLVKDONJSA-N 1 0 342.237 3.278 20 5 EGBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCC([NH+]2CCCC2)CC1 ZINC000354885922 275011609 /nfs/dbraw/zinc/01/16/09/275011609.db2.gz OVCOMIJOCPPNOI-UHFFFAOYSA-N 1 0 343.383 3.041 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@]1(CO)Cc1ccccc1 ZINC000355729519 275039842 /nfs/dbraw/zinc/03/98/42/275039842.db2.gz LWAMKJBVBCXQSD-LJQANCHMSA-N 1 0 326.396 3.164 20 5 EGBDRO C[C@@H]1C[C@@H](Nc2ccc(Br)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000090795080 275153550 /nfs/dbraw/zinc/15/35/50/275153550.db2.gz KDRAIFBAPATJII-KOLCDFICSA-N 1 0 328.210 3.252 20 5 EGBDRO CC[C@@H](C)[C@@H](C)[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C1CC1 ZINC000106439630 275168668 /nfs/dbraw/zinc/16/86/68/275168668.db2.gz XWDGGERPWHHFAX-CHWSQXEVSA-N 1 0 349.431 3.441 20 5 EGBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@]2(O)CCC[C@@H](C(F)(F)F)C2)c1 ZINC000189611153 275219992 /nfs/dbraw/zinc/21/99/92/275219992.db2.gz UNTZUCMVNAUESH-TZMCWYRMSA-N 1 0 332.322 3.168 20 5 EGBDRO CCNC(=O)C(C)(C)C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279007619 275295596 /nfs/dbraw/zinc/29/55/96/275295596.db2.gz GPHOIQSTTSLFSQ-OAHLLOKOSA-N 1 0 333.432 3.069 20 5 EGBDRO CC(C)c1ccc(C(=O)NCC2CC[NH+](C3CC3)CC2)cc1[N+](=O)[O-] ZINC000279104631 275304214 /nfs/dbraw/zinc/30/42/14/275304214.db2.gz SSNIZWYPMYKXPG-UHFFFAOYSA-N 1 0 345.443 3.322 20 5 EGBDRO C[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2Cl)CC2(CCOCC2)O1 ZINC000279823012 275362973 /nfs/dbraw/zinc/36/29/73/275362973.db2.gz QOGOJUYENQXARW-LBPRGKRZSA-N 1 0 340.807 3.018 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCNC(=O)c1cccs1 ZINC000344916894 275398480 /nfs/dbraw/zinc/39/84/80/275398480.db2.gz VWTUMJZXTUVNHK-RAXLEYEMSA-N 1 0 345.424 3.079 20 5 EGBDRO CC(C)(C)[S@@](=O)CC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000127224074 275534174 /nfs/dbraw/zinc/53/41/74/275534174.db2.gz MAXOYDFTJMWPFU-IQMFZBJNSA-N 1 0 338.473 3.053 20 5 EGBDRO CCS[C@@H]1CCC[C@H]1[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000284823332 275829013 /nfs/dbraw/zinc/82/90/13/275829013.db2.gz AGOSDIKTBOBSCB-ZIAGYGMSSA-N 1 0 348.428 3.409 20 5 EGBDRO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285447788 275876998 /nfs/dbraw/zinc/87/69/98/275876998.db2.gz ZIRLNMNYCQYOSY-XYZKALLWSA-N 1 0 331.416 3.175 20 5 EGBDRO CNC(=O)CC[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000286651550 276027578 /nfs/dbraw/zinc/02/75/78/276027578.db2.gz ZIQVANWCPCAALZ-CYBMUJFWSA-N 1 0 339.823 3.129 20 5 EGBDRO CCOc1cc(CN2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000286785258 276043226 /nfs/dbraw/zinc/04/32/26/276043226.db2.gz HRYOCDDYAHVYRN-GOEBONIOSA-N 1 0 333.432 3.052 20 5 EGBDRO CCCN(CC[NH+]1CCCC1)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000287099658 276083353 /nfs/dbraw/zinc/08/33/53/276083353.db2.gz WRSHDTQMMUPPIW-UHFFFAOYSA-N 1 0 334.420 3.243 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000287160261 276090646 /nfs/dbraw/zinc/09/06/46/276090646.db2.gz MTZMKSYVQAHFPY-ZBFHGGJFSA-N 1 0 346.431 3.302 20 5 EGBDRO Cc1nn(C(C)(C)C)c(C)c1CN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000289375469 276329663 /nfs/dbraw/zinc/32/96/63/276329663.db2.gz BHXJZSCCKNIANT-UHFFFAOYSA-N 1 0 345.447 3.128 20 5 EGBDRO CC[NH+](CC)C[C@@H](C)NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000361801334 276331110 /nfs/dbraw/zinc/33/11/10/276331110.db2.gz RJIBQKHDUMKJMS-SNVBAGLBSA-N 1 0 347.337 3.074 20 5 EGBDRO CCCN(CC[NH+]1CCCC1)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000289559326 276357819 /nfs/dbraw/zinc/35/78/19/276357819.db2.gz GDCPTRNNPXWLCC-UHFFFAOYSA-N 1 0 339.823 3.196 20 5 EGBDRO C[C@H]([NH2+]C[C@]1(CO)C[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000289661728 276374164 /nfs/dbraw/zinc/37/41/64/276374164.db2.gz GTNQRKSFZYVZQG-KYNGSXCRSA-N 1 0 326.396 3.412 20 5 EGBDRO COC(=O)C(C)(C)C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290933317 276562456 /nfs/dbraw/zinc/56/24/56/276562456.db2.gz SGSSDYUIZOLSGQ-UHFFFAOYSA-N 1 0 335.187 3.190 20 5 EGBDRO CS[C@H](CO)[C@H](C)[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290933410 276562526 /nfs/dbraw/zinc/56/25/26/276562526.db2.gz SHHTYKICUXQWFT-WRWORJQWSA-N 1 0 339.244 3.104 20 5 EGBDRO C[C@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)[C@H]1OCCc2sccc21 ZINC000292275264 276761090 /nfs/dbraw/zinc/76/10/90/276761090.db2.gz BJSZAOLUAYFRDQ-YVEFUNNKSA-N 1 0 348.424 3.327 20 5 EGBDRO C[N@@H+]1CC[C@@H]2CCN(c3ccc([N+](=O)[O-])c(C(F)(F)F)c3)[C@H]2C1 ZINC000352085014 277146701 /nfs/dbraw/zinc/14/67/01/277146701.db2.gz XABUGXFFBHBGPN-YGRLFVJLSA-N 1 0 329.322 3.144 20 5 EGBDRO C[C@@H]([NH2+][C@H](CC(=O)N(C)C)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000360580497 277631807 /nfs/dbraw/zinc/63/18/07/277631807.db2.gz MOFGCWMKIZSBCL-RDTXWAMCSA-N 1 0 341.411 3.465 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(N2CCC[C@@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)c1 ZINC000338650573 295253890 /nfs/dbraw/zinc/25/38/90/295253890.db2.gz NSNGSHCFHAEVEH-QLFBSQMISA-N 1 0 333.432 3.445 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000376397352 301202389 /nfs/dbraw/zinc/20/23/89/301202389.db2.gz RESBUESZTWFZMW-ZBFHGGJFSA-N 1 0 345.443 3.219 20 5 EGBDRO Cc1ccc(C(=O)NCC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000131856608 307650570 /nfs/dbraw/zinc/65/05/70/307650570.db2.gz XYZZOHIEEBYNFG-OAHLLOKOSA-N 1 0 341.411 3.292 20 5 EGBDRO COCC1CCC([NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000414319120 309072564 /nfs/dbraw/zinc/07/25/64/309072564.db2.gz YOWCOAFRIPORAW-NFOMZHRRSA-N 1 0 349.431 3.107 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc3c(c2)NC(=O)CO3)cc1[N+](=O)[O-] ZINC000293523755 308138561 /nfs/dbraw/zinc/13/85/61/308138561.db2.gz DGCKLIGMLUHQNF-GFCCVEGCSA-N 1 0 341.367 3.085 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3CCC[C@H](CO)CC3)cs2)c1 ZINC000293930209 308175044 /nfs/dbraw/zinc/17/50/44/308175044.db2.gz HHQNEORMSQCCHE-ZDUSSCGKSA-N 1 0 347.440 3.313 20 5 EGBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[NH2+][C@@H]2CCC[C@H]2CCO)c1 ZINC000294174370 308197050 /nfs/dbraw/zinc/19/70/50/308197050.db2.gz QCYCLAHDLMSQBY-IINYFYTJSA-N 1 0 332.322 3.254 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)Cc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000294394629 308217459 /nfs/dbraw/zinc/21/74/59/308217459.db2.gz CEBKPTHRHGUKRW-GUYCJALGSA-N 1 0 332.375 3.297 20 5 EGBDRO Cc1ccc(C[N@@H+]2CCC[C@H](CC(C)(C)C(N)=O)C2)cc1[N+](=O)[O-] ZINC000294688009 308246073 /nfs/dbraw/zinc/24/60/73/308246073.db2.gz CCUNLZAFWGYJII-OAHLLOKOSA-N 1 0 333.432 3.017 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCCc1ncccc1C ZINC000294702384 308247732 /nfs/dbraw/zinc/24/77/32/308247732.db2.gz BHEGVQFLRNMWLR-UHFFFAOYSA-N 1 0 329.400 3.419 20 5 EGBDRO Cc1cc(Cl)c(C(=O)NCCC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000294749453 308253116 /nfs/dbraw/zinc/25/31/16/308253116.db2.gz AKVADECYHJUXDE-UHFFFAOYSA-N 1 0 339.823 3.018 20 5 EGBDRO C[C@H]([NH2+]CC1([C@@H](O)c2ccccc2)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294922658 308271752 /nfs/dbraw/zinc/27/17/52/308271752.db2.gz XCGFSTLKVAHVSQ-UGSOOPFHSA-N 1 0 341.411 3.341 20 5 EGBDRO C[C@@H](CC(C)(C)O)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000295094404 308290600 /nfs/dbraw/zinc/29/06/00/308290600.db2.gz RWWVHKCCOBWSPI-NSHDSACASA-N 1 0 335.429 3.357 20 5 EGBDRO CC[C@@](C[NH2+]Cc1ccc([N+](=O)[O-])cc1)(C(=O)OC)c1ccccc1 ZINC000414594545 309091142 /nfs/dbraw/zinc/09/11/42/309091142.db2.gz YLYDSQGFWZWZTP-IBGZPJMESA-N 1 0 342.395 3.205 20 5 EGBDRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000295491692 308332314 /nfs/dbraw/zinc/33/23/14/308332314.db2.gz QEXKDYYNNWZCGE-UHFFFAOYSA-N 1 0 333.432 3.365 20 5 EGBDRO O=C(NCCCCC[NH+]1CCCC1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000295557540 308338605 /nfs/dbraw/zinc/33/86/05/308338605.db2.gz JMKIBGICUKNVEH-UHFFFAOYSA-N 1 0 339.823 3.244 20 5 EGBDRO CC(C)Oc1cc(-c2nc(C3([NH3+])CCCC3)no2)ccc1[N+](=O)[O-] ZINC000414622946 309091992 /nfs/dbraw/zinc/09/19/92/309091992.db2.gz CWLVMTPMRDMTLX-UHFFFAOYSA-N 1 0 332.360 3.160 20 5 EGBDRO CC[C@@H](C)[NH+]1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000296007419 308384092 /nfs/dbraw/zinc/38/40/92/308384092.db2.gz LBIDADACDZJYBI-CQSZACIVSA-N 1 0 344.415 3.166 20 5 EGBDRO C[C@@H]([NH2+][C@H]1CCc2ccccc2NC1=O)c1cccc([N+](=O)[O-])c1 ZINC000299700447 308684810 /nfs/dbraw/zinc/68/48/10/308684810.db2.gz OYKJSGKKNVWHHT-PXAZEXFGSA-N 1 0 325.368 3.199 20 5 EGBDRO COc1cc(N[C@@H](C)C[NH+]2CCCCCC2)c(F)cc1[N+](=O)[O-] ZINC000302452750 308737505 /nfs/dbraw/zinc/73/75/05/308737505.db2.gz UAEXUGRFAVMVEM-LBPRGKRZSA-N 1 0 325.384 3.419 20 5 EGBDRO O=[N+]([O-])c1cnc(NC[C@@H](c2ccccc2)[NH+]2CCCC2)c(F)c1 ZINC000413028142 309012374 /nfs/dbraw/zinc/01/23/74/309012374.db2.gz OLPKVJPDBPDGJE-INIZCTEOSA-N 1 0 330.363 3.378 20 5 EGBDRO C[NH+]1CCC(C)(CNc2ncc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000413235252 309022941 /nfs/dbraw/zinc/02/29/41/309022941.db2.gz NBJIFYYGHVLCBC-UHFFFAOYSA-N 1 0 332.326 3.152 20 5 EGBDRO O=[N+]([O-])c1cnc(NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(F)c1 ZINC000413260408 309024033 /nfs/dbraw/zinc/02/40/33/309024033.db2.gz FFXQYXLFZWUYEU-AWEZNQCLSA-N 1 0 330.363 3.063 20 5 EGBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413278135 309024730 /nfs/dbraw/zinc/02/47/30/309024730.db2.gz FYSOKSTUEVRQNG-PWSUYJOCSA-N 1 0 344.337 3.072 20 5 EGBDRO CCc1ccccc1[C@@H](N)C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000415063982 309117723 /nfs/dbraw/zinc/11/77/23/309117723.db2.gz JMQBOGPNBNZOPT-VOCYLRNQSA-N 1 0 325.412 3.460 20 5 EGBDRO C[C@@H](CCN1CCOCC1)[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417310294 309201234 /nfs/dbraw/zinc/20/12/34/309201234.db2.gz LATYINBAHCGQAF-KXBFYZLASA-N 1 0 347.459 3.063 20 5 EGBDRO C[C@@](O)(C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21)C(F)(F)F ZINC000417313421 309201283 /nfs/dbraw/zinc/20/12/83/309201283.db2.gz VYAQVDBJVPIKPU-ZIAGYGMSSA-N 1 0 332.322 3.265 20 5 EGBDRO COC(=O)[C@H]1CC[C@@H]([NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000417325887 309201683 /nfs/dbraw/zinc/20/16/83/309201683.db2.gz FSXRCCRVHGVUPN-JJRVBVJISA-N 1 0 332.400 3.294 20 5 EGBDRO CCC[C@H]([NH2+][C@H]1CCN(CC(F)F)C1)c1cccc([N+](=O)[O-])c1 ZINC000417381048 309203652 /nfs/dbraw/zinc/20/36/52/309203652.db2.gz HYRDLSOCJBXPCA-ZFWWWQNUSA-N 1 0 327.375 3.365 20 5 EGBDRO CC[C@@H]1C[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@@H](CC)O1 ZINC000420959225 309304347 /nfs/dbraw/zinc/30/43/47/309304347.db2.gz PYRIZIYCDUVMER-HZPDHXFCSA-N 1 0 349.431 3.121 20 5 EGBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](C3CCCC3)C2)c2c(c1)COCO2 ZINC000420961070 309304597 /nfs/dbraw/zinc/30/45/97/309304597.db2.gz HVRLZAUCKRKVRY-AWEZNQCLSA-N 1 0 332.400 3.473 20 5 EGBDRO CC(C)[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H](C)c1ccsc1 ZINC000421012840 309307303 /nfs/dbraw/zinc/30/73/03/309307303.db2.gz QTGKYTGWGYOSCW-ZDUSSCGKSA-N 1 0 335.429 3.290 20 5 EGBDRO COC1([C@@H](C)[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCOCC1 ZINC000421868092 309344379 /nfs/dbraw/zinc/34/43/79/309344379.db2.gz QFNOQYIYSQFNJD-CXAGYDPISA-N 1 0 334.416 3.146 20 5 EGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](CN)CC(C)C ZINC000423257849 309392627 /nfs/dbraw/zinc/39/26/27/309392627.db2.gz AIPQDTPDFDRUKU-KGLIPLIRSA-N 1 0 325.478 3.429 20 5 EGBDRO CC(C)([NH2+]C[C@H](O)CCc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000429236078 309574440 /nfs/dbraw/zinc/57/44/40/309574440.db2.gz LBHDAUOUNQRSDK-MRXNPFEDSA-N 1 0 328.412 3.413 20 5 EGBDRO CC1(C)C[C@@H]([NH2+]CCCOC2CCOCC2)c2cc([N+](=O)[O-])ccc21 ZINC000433288723 309684749 /nfs/dbraw/zinc/68/47/49/309684749.db2.gz RXEPFCNQBXCRRA-GOSISDBHSA-N 1 0 348.443 3.493 20 5 EGBDRO C[NH+](C)CC(C)(C)NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000455098812 310344568 /nfs/dbraw/zinc/34/45/68/310344568.db2.gz MBLBYHPOFIFIMM-UHFFFAOYSA-N 1 0 348.325 3.075 20 5 EGBDRO CC[NH+](CC)[C@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1C)CC(C)C ZINC000438829218 309820513 /nfs/dbraw/zinc/82/05/13/309820513.db2.gz JUOBHPOFSKLHEZ-KRWDZBQOSA-N 1 0 349.475 3.318 20 5 EGBDRO COCc1cccc(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000447544093 309981564 /nfs/dbraw/zinc/98/15/64/309981564.db2.gz NFPKHZSYIAGPOT-DLBZAZTESA-N 1 0 344.415 3.211 20 5 EGBDRO Cc1ccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1S(C)(=O)=O ZINC000447555797 309981919 /nfs/dbraw/zinc/98/19/19/309981919.db2.gz DZXRTSUBRRIAHL-CYBMUJFWSA-N 1 0 348.424 3.158 20 5 EGBDRO CCC(CC)(CCO)C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447564949 309982441 /nfs/dbraw/zinc/98/24/41/309982441.db2.gz ZTIGWNKUZGEWQI-GJZGRUSLSA-N 1 0 338.452 3.053 20 5 EGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@@H]2CCOC3(CCCC3)C2)n1 ZINC000447579808 309983042 /nfs/dbraw/zinc/98/30/42/309983042.db2.gz LQAHCLWGQXDZEF-BZUAXINKSA-N 1 0 348.447 3.356 20 5 EGBDRO COCC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])[C@@H]1CCCSC1 ZINC000448375625 310003423 /nfs/dbraw/zinc/00/34/23/310003423.db2.gz UTVOLTYUQHLXCE-HQQUCIOCSA-N 1 0 336.457 3.452 20 5 EGBDRO CC(=O)Nc1ccc(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000449069194 310034407 /nfs/dbraw/zinc/03/44/07/310034407.db2.gz FJUGLZVTYRZDSW-CYBMUJFWSA-N 1 0 327.384 3.274 20 5 EGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCN(c2ccccc2)C1 ZINC000449125068 310038795 /nfs/dbraw/zinc/03/87/95/310038795.db2.gz ICFDPXFQDAMRGX-WBVHZDCISA-N 1 0 325.412 3.394 20 5 EGBDRO COC[C@H](Cc1ccccc1)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449171425 310042047 /nfs/dbraw/zinc/04/20/47/310042047.db2.gz ADOLOQVGLHZSMR-QAPCUYQASA-N 1 0 328.412 3.373 20 5 EGBDRO COC(=O)c1cccc(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000449317404 310052970 /nfs/dbraw/zinc/05/29/70/310052970.db2.gz BVMFLRUCKGTSPE-CYBMUJFWSA-N 1 0 328.368 3.102 20 5 EGBDRO COC(=O)c1cccc(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000449317405 310053036 /nfs/dbraw/zinc/05/30/36/310053036.db2.gz BVMFLRUCKGTSPE-ZDUSSCGKSA-N 1 0 328.368 3.102 20 5 EGBDRO COC(=O)c1ccc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)[nH]1 ZINC000449500876 310067201 /nfs/dbraw/zinc/06/72/01/310067201.db2.gz ONVMZBGCFSHQCX-CQSZACIVSA-N 1 0 343.383 3.089 20 5 EGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]([C@H](CO)C1CC1)C1CC1 ZINC000449513429 310068404 /nfs/dbraw/zinc/06/84/04/310068404.db2.gz VXKZBGMESITHCO-OMWUSAIZSA-N 1 0 332.444 3.303 20 5 EGBDRO CCN1C[C@@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1=O ZINC000449518038 310068782 /nfs/dbraw/zinc/06/87/82/310068782.db2.gz MGICWHOEWYDJII-LBPRGKRZSA-N 1 0 345.424 3.034 20 5 EGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCO[C@@H](c2cccnc2)C1 ZINC000449540433 310070357 /nfs/dbraw/zinc/07/03/57/310070357.db2.gz XTMSMIASGMHTMZ-LSBZLQRGSA-N 1 0 341.411 3.431 20 5 EGBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CCC[C@@H]2CCOC2)c1 ZINC000449684773 310080788 /nfs/dbraw/zinc/08/07/88/310080788.db2.gz QDKBWWODKSAPEY-LLVKDONJSA-N 1 0 330.331 3.103 20 5 EGBDRO Cc1cc(C)c(C[NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)cn1 ZINC000449733762 310083158 /nfs/dbraw/zinc/08/31/58/310083158.db2.gz JRQCCQQHKFEPOP-AWEZNQCLSA-N 1 0 342.399 3.114 20 5 EGBDRO NC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000449747689 310084050 /nfs/dbraw/zinc/08/40/50/310084050.db2.gz XXUHPAIVCRZDLW-NEPJUHHUSA-N 1 0 345.424 3.067 20 5 EGBDRO COC(=O)[C@H]1C[N@H+](Cc2csc([N+](=O)[O-])c2)C[C@@H]1c1ccccc1 ZINC000449754488 310084688 /nfs/dbraw/zinc/08/46/88/310084688.db2.gz LRODHCUQSBFQKU-CABCVRRESA-N 1 0 346.408 3.045 20 5 EGBDRO Cc1nc(Nc2cccc(CC[NH+]3CCCC3)c2)ncc1[N+](=O)[O-] ZINC000450416038 310121333 /nfs/dbraw/zinc/12/13/33/310121333.db2.gz FWHFIPTUESYUGI-UHFFFAOYSA-N 1 0 327.388 3.075 20 5 EGBDRO CC[NH+](CC)CCCC1CCN(c2ncc([N+](=O)[O-])c(C)n2)CC1 ZINC000450445362 310123132 /nfs/dbraw/zinc/12/31/32/310123132.db2.gz ZXTAGDSTZSZTNX-UHFFFAOYSA-N 1 0 335.452 3.032 20 5 EGBDRO CC(C)(C)[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000450571631 310130644 /nfs/dbraw/zinc/13/06/44/310130644.db2.gz RESKKCURGUAPPB-CQSZACIVSA-N 1 0 342.399 3.289 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1C[C@@H](OC(C)C)C1(C)C ZINC000451508480 310181847 /nfs/dbraw/zinc/18/18/47/310181847.db2.gz XHSJWYODXDNAHB-HZPDHXFCSA-N 1 0 349.431 3.023 20 5 EGBDRO C[C@@H](C(=O)NC(C)(C)C)[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451550811 310185571 /nfs/dbraw/zinc/18/55/71/310185571.db2.gz SBBLFVRRNIYPBO-ZFWWWQNUSA-N 1 0 333.432 3.077 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](Cc3ccc(CO)cc3)C2)cc1 ZINC000451550457 310185578 /nfs/dbraw/zinc/18/55/78/310185578.db2.gz RTULKHQDNGWGIN-SFHVURJKSA-N 1 0 326.396 3.467 20 5 EGBDRO CC1(C)C[C@H](C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCO1 ZINC000453404533 310275129 /nfs/dbraw/zinc/27/51/29/310275129.db2.gz DKBQPPGSZGKVRZ-KFWWJZLASA-N 1 0 336.436 3.070 20 5 EGBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CCOC(C)(C)C1 ZINC000453433436 310276934 /nfs/dbraw/zinc/27/69/34/310276934.db2.gz SNCMYFSMFIITMG-KBPBESRZSA-N 1 0 349.431 3.107 20 5 EGBDRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000455149687 310347311 /nfs/dbraw/zinc/34/73/11/310347311.db2.gz XXGOSDYSGVSUIZ-CQSZACIVSA-N 1 0 334.420 3.160 20 5 EGBDRO CC[C@H]1C[N@H+](CC)CCN1C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000455246748 310352028 /nfs/dbraw/zinc/35/20/28/310352028.db2.gz NDGQGIADDXCDJS-AWEZNQCLSA-N 1 0 334.420 3.160 20 5 EGBDRO C[NH+](C)[C@H]1CCc2cc(NC(=O)c3ccccc3[N+](=O)[O-])ccc21 ZINC000456273006 310396027 /nfs/dbraw/zinc/39/60/27/310396027.db2.gz LVPAIMVODXIVTO-INIZCTEOSA-N 1 0 325.368 3.396 20 5 EGBDRO Cc1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)ccc1C[NH+](C)C ZINC000458319251 310498012 /nfs/dbraw/zinc/49/80/12/310498012.db2.gz OWVDCUPKJHUSSR-UHFFFAOYSA-N 1 0 327.384 3.146 20 5 EGBDRO CO[C@@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)C12CCC2 ZINC000459724321 310570875 /nfs/dbraw/zinc/57/08/75/310570875.db2.gz ANIHQMCSIFSNPD-UONOGXRCSA-N 1 0 342.342 3.243 20 5 EGBDRO CCC[C@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)C1CCC1 ZINC000459801258 310576146 /nfs/dbraw/zinc/57/61/46/310576146.db2.gz KTOITMRFZIDQFY-HNNXBMFYSA-N 1 0 349.431 3.490 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H](C)c1nnc2ccccn21 ZINC000468640067 310691239 /nfs/dbraw/zinc/69/12/39/310691239.db2.gz HZSQRJNKWLSRJX-JWAFFJSPSA-N 1 0 337.383 3.392 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](CO)Cc1ccccc1 ZINC000468627350 310691281 /nfs/dbraw/zinc/69/12/81/310691281.db2.gz FIDOTRHFYIZTOB-LZOLKVDOSA-N 1 0 340.423 3.439 20 5 EGBDRO CCOC(=O)C1(C)CCC([NH2+]CCc2ccccc2[N+](=O)[O-])CC1 ZINC000474806729 310799871 /nfs/dbraw/zinc/79/98/71/310799871.db2.gz GQNTURHNQXIAEA-UHFFFAOYSA-N 1 0 334.416 3.239 20 5 EGBDRO Cc1c(C[NH2+][C@@H](C)CC(=O)N(C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000478509005 310860038 /nfs/dbraw/zinc/86/00/38/310860038.db2.gz XRPYJFVOFQPGFD-AWEZNQCLSA-N 1 0 341.411 3.434 20 5 EGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCN1CC=CCC1 ZINC000479519446 310876550 /nfs/dbraw/zinc/87/65/50/310876550.db2.gz SVXAAHFCJYDAEE-HNNXBMFYSA-N 1 0 335.473 3.317 20 5 EGBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H](C)C(F)(F)F ZINC000480656649 310898490 /nfs/dbraw/zinc/89/84/90/310898490.db2.gz BLFLDJDDOFEIDV-VHSXEESVSA-N 1 0 333.310 3.100 20 5 EGBDRO Cc1cc(N2CC[N@H+](C)[C@@H](C(C)C)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000487082248 311010157 /nfs/dbraw/zinc/01/01/57/311010157.db2.gz GFGBQUFAGBWKJB-QGZVFWFLSA-N 1 0 328.416 3.228 20 5 EGBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000487462737 311024696 /nfs/dbraw/zinc/02/46/96/311024696.db2.gz PLEQDSXLALFABU-CABCVRRESA-N 1 0 347.459 3.495 20 5 EGBDRO CCOc1cc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000488716846 311076021 /nfs/dbraw/zinc/07/60/21/311076021.db2.gz RRVXSWRGPJAYCM-AWEZNQCLSA-N 1 0 333.432 3.304 20 5 EGBDRO C[NH+](C)[C@H](CNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC000491026471 311161236 /nfs/dbraw/zinc/16/12/36/311161236.db2.gz UMVGUISZZUGRDG-KQQSKNTNSA-N 1 0 345.424 3.089 20 5 EGBDRO CC[N@@H+]1CC[C@@H](N(C)Cc2c(Cl)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000492332421 311238862 /nfs/dbraw/zinc/23/88/62/311238862.db2.gz HFONLAHLKLWDRZ-SWLSCSKDSA-N 1 0 325.840 3.410 20 5 EGBDRO CCOc1cc(CN2CC[C@@H](C[N@H+](C)CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000492628656 311273522 /nfs/dbraw/zinc/27/35/22/311273522.db2.gz HLKPMPMBDHSPGO-KRWDZBQOSA-N 1 0 347.459 3.157 20 5 EGBDRO CCCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000492817597 311294700 /nfs/dbraw/zinc/29/47/00/311294700.db2.gz LGWNCBQUWLXWQQ-KYJSFNMBSA-N 1 0 336.432 3.283 20 5 EGBDRO CCCC[C@@H]1CCC[C@H]1[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000492846899 311298673 /nfs/dbraw/zinc/29/86/73/311298673.db2.gz KNNXMUPNCFIAQH-RHSMWYFYSA-N 1 0 345.443 3.432 20 5 EGBDRO CCOc1cc(C[N@@H+]2CCC[C@H](OCC3CC3)C2)ccc1[N+](=O)[O-] ZINC000492883741 311303083 /nfs/dbraw/zinc/30/30/83/311303083.db2.gz AHGBMRXOLYIJGU-INIZCTEOSA-N 1 0 334.416 3.385 20 5 EGBDRO COC(=O)N1CCC([C@@H](C)[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000496338929 311698490 /nfs/dbraw/zinc/69/84/90/311698490.db2.gz FLQGIXVBGIDOAH-WBMJQRKESA-N 1 0 347.415 3.039 20 5 EGBDRO COC(=O)N1CCC(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000496577757 311733004 /nfs/dbraw/zinc/73/30/04/311733004.db2.gz NAYAEZBDSUNOTK-ZDUSSCGKSA-N 1 0 335.404 3.032 20 5 EGBDRO C[C@@H](Nc1ccc(Br)cc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000037139969 453934516 /nfs/dbraw/zinc/93/45/16/453934516.db2.gz NGVWHKGOCRTADI-SNVBAGLBSA-N 1 0 342.237 3.500 20 5 EGBDRO CCN(CCC[NH+](CC)CC)C(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000505683136 312030242 /nfs/dbraw/zinc/03/02/42/312030242.db2.gz HUJSAFUOGBLUQA-UHFFFAOYSA-N 1 0 349.475 3.453 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(CN3CC[NH+](CC4CC4)CC3)o2)cc1 ZINC000509390180 312115656 /nfs/dbraw/zinc/11/56/56/312115656.db2.gz UKYSFKHYZGWAIK-UHFFFAOYSA-N 1 0 341.411 3.382 20 5 EGBDRO Cc1cc(NCCc2ccc(OCC[NH+](C)C)cc2)ccc1[N+](=O)[O-] ZINC000511398027 312159406 /nfs/dbraw/zinc/15/94/06/312159406.db2.gz YRQQCUBEWPOMEU-UHFFFAOYSA-N 1 0 343.427 3.498 20 5 EGBDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@@H+]2Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000511621487 312164524 /nfs/dbraw/zinc/16/45/24/312164524.db2.gz DYEDKFXPTAKWPY-LMCVGUAFSA-N 1 0 346.427 3.237 20 5 EGBDRO CC(=O)Nc1ccc(CC[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000515311590 312276190 /nfs/dbraw/zinc/27/61/90/312276190.db2.gz OZZHTGLNSKYOSQ-SFHVURJKSA-N 1 0 339.395 3.373 20 5 EGBDRO CCC(CC)[C@@H](CNc1ccc([N+](=O)[O-])c(C)c1)[NH+]1CCOCC1 ZINC000515541529 312288154 /nfs/dbraw/zinc/28/81/54/312288154.db2.gz XQOUBVCAMKRNNT-GOSISDBHSA-N 1 0 335.448 3.452 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1CCOC3(CCOCC3)C1)CCC2 ZINC000516240189 312316394 /nfs/dbraw/zinc/31/63/94/312316394.db2.gz CQYQVBWWKCKFTM-MAUKXSAKSA-N 1 0 346.427 3.290 20 5 EGBDRO C[C@H](NC(=O)Nc1cccc2c1CC[NH2+]C2)c1ccc([N+](=O)[O-])cc1 ZINC000516426662 312323534 /nfs/dbraw/zinc/32/35/34/312323534.db2.gz FHUXERHNLYNILD-LBPRGKRZSA-N 1 0 340.383 3.123 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H](CO)Cc1ccco1)CCC2 ZINC000520332985 312501525 /nfs/dbraw/zinc/50/15/25/312501525.db2.gz WNGOOULJFZHMQZ-SCLBCKFNSA-N 1 0 330.384 3.006 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCN(CC(F)(F)F)C1 ZINC000526046502 312786402 /nfs/dbraw/zinc/78/64/02/312786402.db2.gz TYOMAXNCESVVDH-YRBHFNIASA-N 1 0 343.349 3.224 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCc2nc(C)ncc2C1 ZINC000526047034 312786551 /nfs/dbraw/zinc/78/65/51/312786551.db2.gz AOYXIBGFGOVNAC-KMGMULKOSA-N 1 0 338.411 3.244 20 5 EGBDRO CCOC(=O)C1(C[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)CCC1 ZINC000527053346 312822072 /nfs/dbraw/zinc/82/20/72/312822072.db2.gz SZEUBIZFQMQEBR-UVTDQMKNSA-N 1 0 332.400 3.321 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000537641124 314199499 /nfs/dbraw/zinc/19/94/99/314199499.db2.gz OBGAVVSEBNZVKN-SWLSCSKDSA-N 1 0 347.459 3.370 20 5 EGBDRO C[C@@]1([NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])CCCc2ccccc21 ZINC000538708035 314267828 /nfs/dbraw/zinc/26/78/28/314267828.db2.gz IYZQMGHOCOAZKU-LJQANCHMSA-N 1 0 339.395 3.375 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1ccc(-n2cncn2)cc1 ZINC000539088880 314295866 /nfs/dbraw/zinc/29/58/66/314295866.db2.gz CAWBUXUKHPSARK-AWEZNQCLSA-N 1 0 337.383 3.335 20 5 EGBDRO CC(C)CN(CC(C)C)C(=O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000540376399 314377281 /nfs/dbraw/zinc/37/72/81/314377281.db2.gz QCNFLMVSHAPGGA-OAHLLOKOSA-N 1 0 335.448 3.386 20 5 EGBDRO CCC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000548160543 314980001 /nfs/dbraw/zinc/98/00/01/314980001.db2.gz HDXKOHYWOWMOJX-PMPSAXMXSA-N 1 0 336.432 3.283 20 5 EGBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccc2c(c1)CCC(=O)N2 ZINC000548710797 315037543 /nfs/dbraw/zinc/03/75/43/315037543.db2.gz PSAMANBGNKQMNA-ZDUSSCGKSA-N 1 0 339.395 3.373 20 5 EGBDRO CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000549157781 315079002 /nfs/dbraw/zinc/07/90/02/315079002.db2.gz NPSGPWSLSQKJKA-NVXWUHKLSA-N 1 0 347.459 3.249 20 5 EGBDRO Cc1cccc(N2CC[NH+](CCc3cccs3)CC2)c1[N+](=O)[O-] ZINC000549507482 315094376 /nfs/dbraw/zinc/09/43/76/315094376.db2.gz DMOVPDOJVBQUGL-UHFFFAOYSA-N 1 0 331.441 3.329 20 5 EGBDRO CCC[C@H](C)C(=O)NCC[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000552072111 315195413 /nfs/dbraw/zinc/19/54/13/315195413.db2.gz VVRFGGXBWFTOMQ-SZGZABIGSA-N 1 0 333.432 3.140 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCS(=O)(=O)c1ccccc1 ZINC000552904686 315237053 /nfs/dbraw/zinc/23/70/53/315237053.db2.gz SHQHYUBXDBQCPD-CQSZACIVSA-N 1 0 348.424 3.028 20 5 EGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](CO)C(C)C ZINC000554085743 315297123 /nfs/dbraw/zinc/29/71/23/315297123.db2.gz PSYAQAFAKMNUMB-KGLIPLIRSA-N 1 0 326.462 3.320 20 5 EGBDRO C[C@H]([NH2+][C@@H]1CCC1(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000554406664 315316426 /nfs/dbraw/zinc/31/64/26/315316426.db2.gz DRUACKLAMMNCMZ-TVQRCGJNSA-N 1 0 325.796 3.353 20 5 EGBDRO Cc1cc(NCc2ccn(C(C)C)n2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000554682347 315342272 /nfs/dbraw/zinc/34/22/72/315342272.db2.gz DANYVUXGRLCTRU-UHFFFAOYSA-N 1 0 325.372 3.263 20 5 EGBDRO COc1cc2c(cc1C[NH2+]CCc1ccccc1[N+](=O)[O-])O[C@H](C)C2 ZINC000564654368 316183202 /nfs/dbraw/zinc/18/32/02/316183202.db2.gz QKNHKERTMRNGBQ-CYBMUJFWSA-N 1 0 342.395 3.259 20 5 EGBDRO O=[N+]([O-])c1ccc(NC[C@H]2CC[N@@H+](C3CC3)C2)c(OC(F)F)c1 ZINC000565569586 316340822 /nfs/dbraw/zinc/34/08/22/316340822.db2.gz LIXZCFMZINMZNK-SNVBAGLBSA-N 1 0 327.331 3.092 20 5 EGBDRO CC(C)Oc1nc(N2CCC[N@@H+](C(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000565608051 316346985 /nfs/dbraw/zinc/34/69/85/316346985.db2.gz NMZLDRPQIMYEQU-UHFFFAOYSA-N 1 0 336.436 3.088 20 5 EGBDRO O=C(CC[NH2+]CC1CCC(F)(F)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000569569005 316932945 /nfs/dbraw/zinc/93/29/45/316932945.db2.gz OABWJDCYFPNHPT-UHFFFAOYSA-N 1 0 341.358 3.339 20 5 EGBDRO CC(C)(C)C(C)(C)C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000569596149 316937619 /nfs/dbraw/zinc/93/76/19/316937619.db2.gz WWYJYZXBXJWZHS-UHFFFAOYSA-N 1 0 342.461 3.030 20 5 EGBDRO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCOC2)c(F)c1 ZINC000571556163 317215910 /nfs/dbraw/zinc/21/59/10/317215910.db2.gz JJIDEFXKZUOJMU-BDJLRTHQSA-N 1 0 326.343 3.264 20 5 EGBDRO CCC[C@@H]([NH2+][C@H]1CCN(C(C)(C)C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000571800316 317249165 /nfs/dbraw/zinc/24/91/65/317249165.db2.gz WYHCVMOIXJLDSI-CVEARBPZSA-N 1 0 333.432 3.425 20 5 EGBDRO CN(CCC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])CC(F)(F)F ZINC000572135394 317296861 /nfs/dbraw/zinc/29/68/61/317296861.db2.gz XIELZVYIOPEZCT-CYBMUJFWSA-N 1 0 331.338 3.056 20 5 EGBDRO Cc1cc(NCC[N@@H+](C)C2CC2)c(Br)cc1[N+](=O)[O-] ZINC000234273349 456147666 /nfs/dbraw/zinc/14/76/66/456147666.db2.gz XUIHSLPCXDWEEF-UHFFFAOYSA-N 1 0 328.210 3.172 20 5 EGBDRO C[C@@H]1CCCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1C ZINC000172859527 323290951 /nfs/dbraw/zinc/29/09/51/323290951.db2.gz XUINIQJJSYXATB-GHMZBOCLSA-N 1 0 325.796 3.307 20 5 EGBDRO Cc1cccc(C)c1OC[C@@H](O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173350418 323294718 /nfs/dbraw/zinc/29/47/18/323294718.db2.gz YYSXYMWYDNKIRR-QAPCUYQASA-N 1 0 344.411 3.302 20 5 EGBDRO Cc1cccc(C(C)(C)[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000179590593 323395322 /nfs/dbraw/zinc/39/53/22/323395322.db2.gz JBEVPBOYAXDVTA-QGZVFWFLSA-N 1 0 344.411 3.168 20 5 EGBDRO Cc1ccc(C)c(OC[C@H](O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000180414280 323438896 /nfs/dbraw/zinc/43/88/96/323438896.db2.gz FPTASTZIBVFGET-MAUKXSAKSA-N 1 0 344.411 3.302 20 5 EGBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1cc2ccccc2s1 ZINC000184384360 323656490 /nfs/dbraw/zinc/65/64/90/323656490.db2.gz YEKLSZJHRYYYTO-GFCCVEGCSA-N 1 0 343.408 3.322 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1CCCC[C@@H]1C ZINC000192800839 323826119 /nfs/dbraw/zinc/82/61/19/323826119.db2.gz YCJMQZLGQLJJCR-GXTWGEPZSA-N 1 0 335.404 3.100 20 5 EGBDRO CCOc1ccc(NC(=O)C[NH2+][C@H]2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000194005464 323848002 /nfs/dbraw/zinc/84/80/02/323848002.db2.gz UMIXXSCWLAELLE-OCCSQVGLSA-N 1 0 335.404 3.100 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3CC[C@H](CCCO)C3)cs2)c1 ZINC000449792176 324342773 /nfs/dbraw/zinc/34/27/73/324342773.db2.gz RZGIURVZMCTZKQ-ZDUSSCGKSA-N 1 0 347.440 3.313 20 5 EGBDRO CCc1ccc([C@H](CO)[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000577745798 324859759 /nfs/dbraw/zinc/85/97/59/324859759.db2.gz VZLWBEWYWUZRKX-MSOLQXFVSA-N 1 0 326.396 3.468 20 5 EGBDRO C[C@@H](CC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccccc1 ZINC000579196043 325074294 /nfs/dbraw/zinc/07/42/94/325074294.db2.gz XTDIWLQWBHGGCS-INIZCTEOSA-N 1 0 340.427 3.306 20 5 EGBDRO C[C@@H]1CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@@H]2CCCC[C@@H]12 ZINC000579818602 325162764 /nfs/dbraw/zinc/16/27/64/325162764.db2.gz MUNQJTBNJZJLKL-LTIDMASMSA-N 1 0 348.443 3.235 20 5 EGBDRO Cc1c(F)cccc1NC(=O)CC[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000581365446 325355364 /nfs/dbraw/zinc/35/53/64/325355364.db2.gz SKQWOCMFAXTGSM-UHFFFAOYSA-N 1 0 345.374 3.203 20 5 EGBDRO C[C@H]1CCCC[C@@H]1OCC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000581990543 325404822 /nfs/dbraw/zinc/40/48/22/325404822.db2.gz RSXMHZSACSLXHT-YOEHRIQHSA-N 1 0 349.431 3.108 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@]2(O)CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000189617956 455223546 /nfs/dbraw/zinc/22/35/46/455223546.db2.gz WADHRADEPLHEQY-OCCSQVGLSA-N 1 0 332.322 3.168 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@@H]3CCCCO3)cs2)c1 ZINC000237996348 455242525 /nfs/dbraw/zinc/24/25/25/455242525.db2.gz JKILGOZMWJBFST-HNNXBMFYSA-N 1 0 333.413 3.377 20 5 EGBDRO C[C@@H]([NH2+][C@@H]1CC(=O)N(c2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000173356563 455273058 /nfs/dbraw/zinc/27/30/58/455273058.db2.gz STTFOXNXFGEDJM-UKRRQHHQSA-N 1 0 325.368 3.051 20 5 EGBDRO C[C@H]([NH2+]CCc1cc(F)cc2c1OCOC2)c1cccc([N+](=O)[O-])c1 ZINC000173384394 455276200 /nfs/dbraw/zinc/27/62/00/455276200.db2.gz ASBHQKDDYXSHDD-LBPRGKRZSA-N 1 0 346.358 3.494 20 5 EGBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@H](CC1CCC1)c1ccccc1 ZINC000181357336 455322551 /nfs/dbraw/zinc/32/25/51/455322551.db2.gz WYFWIONRUVWRDU-GOSISDBHSA-N 1 0 341.411 3.278 20 5 EGBDRO C[C@H](C(=O)NCc1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCCCCC1 ZINC000183742656 455324627 /nfs/dbraw/zinc/32/46/27/455324627.db2.gz DNFMTYWJSIVDTL-GFCCVEGCSA-N 1 0 339.823 3.129 20 5 EGBDRO COC(=O)c1cc(-c2cccc([C@@H]3CCC[NH2+]3)c2)cc([N+](=O)[O-])c1 ZINC000600789252 460605053 /nfs/dbraw/zinc/60/50/53/460605053.db2.gz UBHVNQYUYJRVNB-KRWDZBQOSA-N 1 0 326.352 3.473 20 5 EGBDRO CC(C)[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccccc1 ZINC000027369173 453815923 /nfs/dbraw/zinc/81/59/23/453815923.db2.gz KJZZQDJDTQYLBJ-QGZVFWFLSA-N 1 0 327.384 3.181 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)[C@H]1CCc2ccccc21 ZINC000029483570 453829254 /nfs/dbraw/zinc/82/92/54/453829254.db2.gz MTVZEGOQOKODCC-SFHVURJKSA-N 1 0 339.395 3.461 20 5 EGBDRO O=[N+]([O-])c1ccc(OCC[NH2+]C2(c3nccs3)CCCC2)cc1 ZINC000083215172 453943701 /nfs/dbraw/zinc/94/37/01/453943701.db2.gz KOKVEAYXJPSTMP-UHFFFAOYSA-N 1 0 333.413 3.489 20 5 EGBDRO C[NH+](C)CCN(Cc1cccs1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000084070406 453966716 /nfs/dbraw/zinc/96/67/16/453966716.db2.gz SRGXPHZASCUUHR-UHFFFAOYSA-N 1 0 348.428 3.252 20 5 EGBDRO CC[N@H+](Cc1ccccc1C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000042133470 453996685 /nfs/dbraw/zinc/99/66/85/453996685.db2.gz BYAZCHMOACOQBH-UHFFFAOYSA-N 1 0 327.384 3.024 20 5 EGBDRO O=[N+]([O-])c1cccc(C[NH2+]CCc2nc(-c3ccccn3)cs2)c1 ZINC000076894629 454046046 /nfs/dbraw/zinc/04/60/46/454046046.db2.gz YZGXFKMMLTUPPF-UHFFFAOYSA-N 1 0 340.408 3.446 20 5 EGBDRO C[NH+](C)Cc1cccc(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)c1 ZINC000056951602 454091842 /nfs/dbraw/zinc/09/18/42/454091842.db2.gz QGNMJUMJYVXAQG-UHFFFAOYSA-N 1 0 338.367 3.390 20 5 EGBDRO Cc1ccccc1C[NH+]1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000069447818 454107024 /nfs/dbraw/zinc/10/70/24/454107024.db2.gz GNELZPKFUZXFIU-UHFFFAOYSA-N 1 0 329.375 3.365 20 5 EGBDRO COC(=O)CC1([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CCCCC1 ZINC000089400639 454144639 /nfs/dbraw/zinc/14/46/39/454144639.db2.gz OOWMGTIQLLHZGN-UHFFFAOYSA-N 1 0 347.371 3.092 20 5 EGBDRO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCCO2 ZINC000089580819 454162998 /nfs/dbraw/zinc/16/29/98/454162998.db2.gz UELUQLPZQRUDTC-CYBMUJFWSA-N 1 0 344.367 3.096 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2c[nH]nc2-c2cccs2)cc1 ZINC000058093526 454163669 /nfs/dbraw/zinc/16/36/69/454163669.db2.gz NRISSJAVVAKANT-UHFFFAOYSA-N 1 0 328.397 3.379 20 5 EGBDRO COC(=O)CC[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C(C)C ZINC000089901038 454229297 /nfs/dbraw/zinc/22/92/97/454229297.db2.gz YOSKPXLGEAQHLC-UHFFFAOYSA-N 1 0 347.371 3.023 20 5 EGBDRO CC(C)(CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)[NH+]1CCCCC1 ZINC000058841154 454236202 /nfs/dbraw/zinc/23/62/02/454236202.db2.gz NYPXSBYSKNVKLY-UHFFFAOYSA-N 1 0 344.415 3.070 20 5 EGBDRO Cc1cnc(N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c([N+](=O)[O-])c1 ZINC000078656346 454293506 /nfs/dbraw/zinc/29/35/06/454293506.db2.gz SIQCBWUUSUEPOI-MRXNPFEDSA-N 1 0 332.448 3.247 20 5 EGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc([S@](C)=O)cc1 ZINC000090220808 454293842 /nfs/dbraw/zinc/29/38/42/454293842.db2.gz HGULBIWRRRBXEK-LFPIHBKWSA-N 1 0 346.452 3.443 20 5 EGBDRO COc1cc(OC)cc(OCC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000090453150 454307106 /nfs/dbraw/zinc/30/71/06/454307106.db2.gz BPDYMEYTGXYTAV-ZDUSSCGKSA-N 1 0 346.383 3.342 20 5 EGBDRO Cc1c([C@H](C)[NH2+][C@H]2CCN(C3CCCCC3)C2=O)cccc1[N+](=O)[O-] ZINC000090464307 454309435 /nfs/dbraw/zinc/30/94/35/454309435.db2.gz MHZICRRFUNXZHO-YOEHRIQHSA-N 1 0 345.443 3.487 20 5 EGBDRO CC[NH+]1CCC(N(C)C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 ZINC000120566797 454319861 /nfs/dbraw/zinc/31/98/61/454319861.db2.gz NNUCGAIJGZPMSC-UHFFFAOYSA-N 1 0 347.459 3.449 20 5 EGBDRO COc1cc(C[NH2+]C2CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000061003413 454323712 /nfs/dbraw/zinc/32/37/12/454323712.db2.gz DAOZUPYFYQGDGB-UHFFFAOYSA-N 1 0 328.368 3.434 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCN(c3ccccn3)C2)cc1[N+](=O)[O-] ZINC000090801433 454341438 /nfs/dbraw/zinc/34/14/38/454341438.db2.gz CEYSAFANZWLPEO-GDBMZVCRSA-N 1 0 326.400 3.228 20 5 EGBDRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000047215222 454341616 /nfs/dbraw/zinc/34/16/16/454341616.db2.gz AJHSOUCRRMAGJY-HOTGVXAUSA-N 1 0 347.459 3.012 20 5 EGBDRO C[C@H]([NH2+]C[C@]1(O)CCOC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000090850239 454346268 /nfs/dbraw/zinc/34/62/68/454346268.db2.gz DHXOVIZHLLVNTC-YVEFUNNKSA-N 1 0 348.424 3.125 20 5 EGBDRO Cc1ccc(NC(=O)N2CCC([NH+]3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC000047323201 454357595 /nfs/dbraw/zinc/35/75/95/454357595.db2.gz VPBKPVBYSIZDRX-UHFFFAOYSA-N 1 0 346.431 3.385 20 5 EGBDRO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)NCc1ccc(F)cc1 ZINC000079309379 454396056 /nfs/dbraw/zinc/39/60/56/454396056.db2.gz JDVMURLXFGWSTK-STQMWFEESA-N 1 0 345.374 3.089 20 5 EGBDRO CC[NH+](CC)[C@H](CNc1ccc([N+](=O)[O-])cn1)c1cccc(OC)c1 ZINC000073109525 454396496 /nfs/dbraw/zinc/39/64/96/454396496.db2.gz FZGSYYFFUJFQMT-QGZVFWFLSA-N 1 0 344.415 3.493 20 5 EGBDRO CN(CC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)C1CCCC1 ZINC000133203134 454400676 /nfs/dbraw/zinc/40/06/76/454400676.db2.gz VREDFGXBPMFRIJ-SFHVURJKSA-N 1 0 331.460 3.380 20 5 EGBDRO C[NH+](C)CCCC1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000133384654 454419800 /nfs/dbraw/zinc/41/98/00/454419800.db2.gz KGNNBCMLPRZDEM-UHFFFAOYSA-N 1 0 347.459 3.108 20 5 EGBDRO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000091481347 454440340 /nfs/dbraw/zinc/44/03/40/454440340.db2.gz KQDRXEKTDUFYQL-ZDUSSCGKSA-N 1 0 328.210 3.109 20 5 EGBDRO O=[N+]([O-])c1ccccc1N1CCC([NH2+]CCOc2ccccc2)CC1 ZINC000097596014 454440562 /nfs/dbraw/zinc/44/05/62/454440562.db2.gz MMZVNSMKQXYONP-UHFFFAOYSA-N 1 0 341.411 3.232 20 5 EGBDRO Cc1cc(C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000122410083 454530325 /nfs/dbraw/zinc/53/03/25/454530325.db2.gz GCMBOVZIXPYTMI-KRWDZBQOSA-N 1 0 345.374 3.075 20 5 EGBDRO CS[C@H]1CCCC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000134601967 454567025 /nfs/dbraw/zinc/56/70/25/454567025.db2.gz CKCYRQOUXTWGAW-DOMZBBRYSA-N 1 0 337.445 3.139 20 5 EGBDRO COc1cc(C[N@@H+]2CC[C@@H](C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000092471400 454571699 /nfs/dbraw/zinc/57/16/99/454571699.db2.gz UMFUZQHHPZTKHI-SNVBAGLBSA-N 1 0 348.321 3.386 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@H]3CCCC[C@H]3O)cs2)c1 ZINC000074371049 454572384 /nfs/dbraw/zinc/57/23/84/454572384.db2.gz DQKWJJKJUDGHOO-LSDHHAIUSA-N 1 0 333.413 3.111 20 5 EGBDRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134653598 454574919 /nfs/dbraw/zinc/57/49/19/454574919.db2.gz MNQUMGXJDORQRA-LBPRGKRZSA-N 1 0 341.839 3.489 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc3[nH]c(=O)[nH]c3c2)cc1[N+](=O)[O-] ZINC000123079682 454599537 /nfs/dbraw/zinc/59/95/37/454599537.db2.gz IJPUPTMXAOTCAI-NWDGAFQWSA-N 1 0 340.383 3.485 20 5 EGBDRO CCCNC(=O)[C@H]1CCC[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000092734129 454619232 /nfs/dbraw/zinc/61/92/32/454619232.db2.gz CXKAPYIPOUIWSR-INIZCTEOSA-N 1 0 347.459 3.456 20 5 EGBDRO Cc1cc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)ncc1[N+](=O)[O-] ZINC000074747602 454629613 /nfs/dbraw/zinc/62/96/13/454629613.db2.gz TYSLDRNFXUPJNR-MRXNPFEDSA-N 1 0 332.448 3.391 20 5 EGBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC2(CCC2)C1 ZINC000123499743 454645412 /nfs/dbraw/zinc/64/54/12/454645412.db2.gz CHSNXUPWDJMNQQ-NSHDSACASA-N 1 0 337.807 3.451 20 5 EGBDRO Cc1ccccc1C[NH+]1CCC(Nc2ncccc2[N+](=O)[O-])CC1 ZINC000052406902 454670679 /nfs/dbraw/zinc/67/06/79/454670679.db2.gz WJUGAAGSHYTTLQ-UHFFFAOYSA-N 1 0 326.400 3.375 20 5 EGBDRO C[C@@H]1C[C@H]1c1ccc(C[N@H+](CCn2ccc([N+](=O)[O-])n2)C2CC2)o1 ZINC000176208122 454712492 /nfs/dbraw/zinc/71/24/92/454712492.db2.gz HJRWFCRICXYDQA-IUODEOHRSA-N 1 0 330.388 3.172 20 5 EGBDRO O=[N+]([O-])c1cccc(CN(CC[S@](=O)c2ccccc2)C2CC2)c1 ZINC000153231091 454772911 /nfs/dbraw/zinc/77/29/11/454772911.db2.gz VBATVRGTMFFYCE-XMMPIXPASA-N 1 0 344.436 3.367 20 5 EGBDRO CC[C@H]1CCCCN1C(=O)CN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153267913 454776815 /nfs/dbraw/zinc/77/68/15/454776815.db2.gz QTDDHBGPZYMSQN-INIZCTEOSA-N 1 0 345.443 3.350 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCNC(=O)CC1CCCC1 ZINC000153658841 454817804 /nfs/dbraw/zinc/81/78/04/454817804.db2.gz HWNPYFMSSDLBGO-CQSZACIVSA-N 1 0 333.432 3.250 20 5 EGBDRO Cc1ccc(C(=O)NC2CC[NH+](C3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC000177267512 454844925 /nfs/dbraw/zinc/84/49/25/454844925.db2.gz ZPQHPDKVJGKPFI-UHFFFAOYSA-N 1 0 345.443 3.430 20 5 EGBDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000177338439 454853348 /nfs/dbraw/zinc/85/33/48/454853348.db2.gz RCAQBENMGDFCQI-UHFFFAOYSA-N 1 0 327.384 3.146 20 5 EGBDRO Cc1nn(C)c(C)c1C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000151123881 454940973 /nfs/dbraw/zinc/94/09/73/454940973.db2.gz FPTONNCBDRMJSJ-QGZVFWFLSA-N 1 0 328.416 3.056 20 5 EGBDRO Cc1cc(C(=O)N(CC(C)C)C2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000114143071 454945894 /nfs/dbraw/zinc/94/58/94/454945894.db2.gz QJUXVDNSGBXIPA-UHFFFAOYSA-N 1 0 333.432 3.096 20 5 EGBDRO CC1(C)CC(Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC(C)(C)[NH2+]1 ZINC000170639426 454946073 /nfs/dbraw/zinc/94/60/73/454946073.db2.gz HTYMGUNDZXGAQM-UHFFFAOYSA-N 1 0 346.431 3.201 20 5 EGBDRO COc1ccc2cc(C[N@H+](C)CCn3ccc([N+](=O)[O-])n3)ccc2c1 ZINC000267116483 455504143 /nfs/dbraw/zinc/50/41/43/455504143.db2.gz ZEQJDGMQCIIAEV-UHFFFAOYSA-N 1 0 340.383 3.085 20 5 EGBDRO C[C@H]1C[C@H](c2ccccc2)C[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000115554383 455019578 /nfs/dbraw/zinc/01/95/78/455019578.db2.gz QOMQEJWFYWQJQR-HOCLYGCPSA-N 1 0 339.395 3.411 20 5 EGBDRO C[C@@](O)(C[NH2+]Cc1csc([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000185114836 455504253 /nfs/dbraw/zinc/50/42/53/455504253.db2.gz FPMQQHVJOHGSGI-CQSZACIVSA-N 1 0 326.805 3.307 20 5 EGBDRO COC(=O)[C@@H](C)C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000116391032 455054153 /nfs/dbraw/zinc/05/41/53/455054153.db2.gz PZGRKHBFMNQJDB-JTQLQIEISA-N 1 0 326.780 3.022 20 5 EGBDRO CC(C)C[C@H]1CCC[N@@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000117337450 455084146 /nfs/dbraw/zinc/08/41/46/455084146.db2.gz KFJMHJPNNJDHJX-CQSZACIVSA-N 1 0 347.415 3.403 20 5 EGBDRO O=[N+]([O-])c1cc(F)ccc1NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000180045217 455121821 /nfs/dbraw/zinc/12/18/21/455121821.db2.gz HCCYHMYZDIVREV-UHFFFAOYSA-N 1 0 330.363 3.457 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+](CCCCO)C3CC3)o2)c1 ZINC000152512552 455129813 /nfs/dbraw/zinc/12/98/13/455129813.db2.gz AKYAYMCJXSFGCO-UHFFFAOYSA-N 1 0 345.399 3.029 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CC[C@@]4(CCOC4)C3)o2)c1 ZINC000180137395 455138239 /nfs/dbraw/zinc/13/82/39/455138239.db2.gz GORGOLXKIVAFLI-GOSISDBHSA-N 1 0 328.368 3.467 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+]CCCOCC2CCOCC2)cc1[N+](=O)[O-] ZINC000157475375 455198388 /nfs/dbraw/zinc/19/83/88/455198388.db2.gz GAQVJMAJDARUDD-OAHLLOKOSA-N 1 0 336.432 3.387 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCCN(CC(F)F)CC1 ZINC000182994199 455206797 /nfs/dbraw/zinc/20/67/97/455206797.db2.gz XLSMEHGMFZCEOV-CYBMUJFWSA-N 1 0 327.375 3.237 20 5 EGBDRO CCCC[NH+]1CCC(NC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000158559742 455312976 /nfs/dbraw/zinc/31/29/76/455312976.db2.gz VLIIOGZPBWBDOR-UHFFFAOYSA-N 1 0 334.420 3.289 20 5 EGBDRO C[C@@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])CC[C@@H]1NC(=O)OC(C)(C)C ZINC000265809164 455384933 /nfs/dbraw/zinc/38/49/33/455384933.db2.gz DYJSFPSXBFKSDY-HIFRSBDPSA-N 1 0 349.431 3.330 20 5 EGBDRO Cc1cccc(C[C@@H](CO)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000191603008 455502364 /nfs/dbraw/zinc/50/23/64/455502364.db2.gz CCSCMEXRDQVASI-WBVHZDCISA-N 1 0 328.412 3.466 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000182394400 455504534 /nfs/dbraw/zinc/50/45/34/455504534.db2.gz IMNPMHLKUOBEPA-AWEZNQCLSA-N 1 0 348.424 3.028 20 5 EGBDRO CCN(CC)C(=O)CCC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000182544531 455537789 /nfs/dbraw/zinc/53/77/89/455537789.db2.gz BAKWOHVTTDOSBR-UHFFFAOYSA-N 1 0 347.459 3.455 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000192118223 455559320 /nfs/dbraw/zinc/55/93/20/455559320.db2.gz JSKKNHBMICNEKI-NVXWUHKLSA-N 1 0 334.322 3.493 20 5 EGBDRO COc1ccc(C[NH+]2CCC(O)(c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000185479472 455564063 /nfs/dbraw/zinc/56/40/63/455564063.db2.gz GHPFHZUXWKVFPY-UHFFFAOYSA-N 1 0 342.395 3.087 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](C)C1CCCCC1 ZINC000182684293 455567917 /nfs/dbraw/zinc/56/79/17/455567917.db2.gz MJTVULSXITZZMM-CYBMUJFWSA-N 1 0 349.431 3.490 20 5 EGBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000601022889 460679454 /nfs/dbraw/zinc/67/94/54/460679454.db2.gz SHGVJJPOJWQTBQ-MCIONIFRSA-N 1 0 349.406 3.211 20 5 EGBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000268141390 455600627 /nfs/dbraw/zinc/60/06/27/455600627.db2.gz DMAAFMLOWVMNFI-YGRLFVJLSA-N 1 0 345.424 3.022 20 5 EGBDRO COc1ccc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccco2)cc1[N+](=O)[O-] ZINC000268285146 455640391 /nfs/dbraw/zinc/64/03/91/455640391.db2.gz QMFCHQABOKEVQY-HOCLYGCPSA-N 1 0 346.383 3.285 20 5 EGBDRO CCC[C@@]1(CO)CCC[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000277751263 455654896 /nfs/dbraw/zinc/65/48/96/455654896.db2.gz LMTNSOMKCWQKLQ-SFHVURJKSA-N 1 0 345.399 3.377 20 5 EGBDRO COc1ccc(NC(=O)CC[NH2+][C@@H]2CCC[C@@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000192803590 455696086 /nfs/dbraw/zinc/69/60/86/455696086.db2.gz DDNVMJRNQQWVQV-UMVBOHGHSA-N 1 0 349.431 3.346 20 5 EGBDRO COc1cccc([C@@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2C)c1 ZINC000271688637 455723115 /nfs/dbraw/zinc/72/31/15/455723115.db2.gz QGUQUKCZYIKGGV-CYBMUJFWSA-N 1 0 343.383 3.201 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCO[C@@H]1c1ccnn1C(C)C ZINC000284826942 455748765 /nfs/dbraw/zinc/74/87/65/455748765.db2.gz VHEDPKWMZZAVNW-WMZOPIPTSA-N 1 0 344.415 3.300 20 5 EGBDRO C[C@@H]([NH2+]CCc1ccc2c(c1)CCO2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284940769 455764288 /nfs/dbraw/zinc/76/42/88/455764288.db2.gz DUSPKLRWWQCBPE-GFCCVEGCSA-N 1 0 327.384 3.005 20 5 EGBDRO Cc1cc(N2CCOCC3(CCC3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000612665564 460693785 /nfs/dbraw/zinc/69/37/85/460693785.db2.gz AXTVYCXEUSAQRP-UHFFFAOYSA-N 1 0 327.384 3.458 20 5 EGBDRO CC(C)C[NH+]1CCC(Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1 ZINC000193758235 455775376 /nfs/dbraw/zinc/77/53/76/455775376.db2.gz VXOFAZYBZJREKZ-UHFFFAOYSA-N 1 0 346.431 3.012 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]CC1(CO)CCCC1 ZINC000186483144 455778455 /nfs/dbraw/zinc/77/84/55/455778455.db2.gz ROACNMLUXRTYKU-WBVHZDCISA-N 1 0 332.444 3.448 20 5 EGBDRO Cc1nc(C[C@@H]2CCC[N@@H+]([C@H](C)c3cccc([N+](=O)[O-])c3)C2)no1 ZINC000249864912 455779056 /nfs/dbraw/zinc/77/90/56/455779056.db2.gz HKBRZDWTDPSNCW-OCCSQVGLSA-N 1 0 330.388 3.302 20 5 EGBDRO O=[N+]([O-])c1cccc(C[N@@H+](C[C@H](O)c2ccccc2F)C2CC2)c1 ZINC000269080343 455784246 /nfs/dbraw/zinc/78/42/46/455784246.db2.gz DVMKITRISLGIGG-SFHVURJKSA-N 1 0 330.359 3.432 20 5 EGBDRO CC(=O)Nc1cccc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000285255915 455814042 /nfs/dbraw/zinc/81/40/42/455814042.db2.gz HMXAZUVBUOXVOC-UHFFFAOYSA-N 1 0 327.384 3.228 20 5 EGBDRO C[C@@H](NC(=O)NCCC[NH+]1CCC(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000194356748 455831949 /nfs/dbraw/zinc/83/19/49/455831949.db2.gz ZBLZWTHFZWZAPY-OAHLLOKOSA-N 1 0 348.447 3.077 20 5 EGBDRO COc1cc2c(cc1OC)[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])CC2 ZINC000280022356 455881739 /nfs/dbraw/zinc/88/17/39/455881739.db2.gz HNMKXBSGRZHJQN-INIZCTEOSA-N 1 0 342.395 3.432 20 5 EGBDRO Cc1c(C(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000187248704 455886993 /nfs/dbraw/zinc/88/69/93/455886993.db2.gz JTDUXLLYKYAOMM-KSSFIOAISA-N 1 0 341.411 3.324 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000296262784 455895261 /nfs/dbraw/zinc/89/52/61/455895261.db2.gz OEGOIOCSLSKWGO-UAGQMJEPSA-N 1 0 334.416 3.285 20 5 EGBDRO Cc1c(C(=O)N(C)CCC[N@H+](C)Cc2ccco2)cccc1[N+](=O)[O-] ZINC000285740928 455907927 /nfs/dbraw/zinc/90/79/27/455907927.db2.gz IVTOAMQJZHAQNY-UHFFFAOYSA-N 1 0 345.399 3.090 20 5 EGBDRO CCOc1cc(NC[C@H]2[NH2+]CCc3ccccc32)ccc1[N+](=O)[O-] ZINC000261626412 455915728 /nfs/dbraw/zinc/91/57/28/455915728.db2.gz GVKKLKKXYWMEQG-MRXNPFEDSA-N 1 0 327.384 3.292 20 5 EGBDRO CC(C)c1nnc([C@H]2CN([C@H](C)c3cccc([N+](=O)[O-])c3)CCO2)o1 ZINC000280232316 455923413 /nfs/dbraw/zinc/92/34/13/455923413.db2.gz WDVUMSZNRXSEMC-IUODEOHRSA-N 1 0 346.387 3.236 20 5 EGBDRO Cc1cc(C[NH+](C)C)cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000270400849 455946608 /nfs/dbraw/zinc/94/66/08/455946608.db2.gz WBVNNLAFPAZMGM-UHFFFAOYSA-N 1 0 327.384 3.146 20 5 EGBDRO CC(C)c1ccc(C(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000187768520 455949811 /nfs/dbraw/zinc/94/98/11/455949811.db2.gz UEDLWKPBLBSIJO-CJNGLKHVSA-N 1 0 333.432 3.130 20 5 EGBDRO C[NH+]1CCC(C)(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 ZINC000272557234 455993286 /nfs/dbraw/zinc/99/32/86/455993286.db2.gz SIPLZLLBXUVION-UHFFFAOYSA-N 1 0 347.440 3.271 20 5 EGBDRO C[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1nnnn1C1CCCCC1 ZINC000296768764 456032916 /nfs/dbraw/zinc/03/29/16/456032916.db2.gz RDSDKGGHBFZMNK-QWHCGFSZSA-N 1 0 344.419 3.498 20 5 EGBDRO CCN(C(=O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000296794613 456039572 /nfs/dbraw/zinc/03/95/72/456039572.db2.gz SZWXIPHOCCJWRD-AWEZNQCLSA-N 1 0 327.384 3.299 20 5 EGBDRO Cc1ccnc(NC[C@H]2CCC[N@@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000301276731 456078065 /nfs/dbraw/zinc/07/80/65/456078065.db2.gz JBEQEDIGRSLIOR-MRXNPFEDSA-N 1 0 326.400 3.375 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1C[C@@H]2CCCC[N@H+]2C[C@H]1C ZINC000332517608 456086025 /nfs/dbraw/zinc/08/60/25/456086025.db2.gz KSUVJXCCDGBKFB-ZBFHGGJFSA-N 1 0 345.443 3.219 20 5 EGBDRO Cc1cc([N+](=O)[O-])cnc1N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000301445090 456118260 /nfs/dbraw/zinc/11/82/60/456118260.db2.gz QJTYKBDHXUSOSJ-KRWDZBQOSA-N 1 0 340.427 3.399 20 5 EGBDRO Cc1cnc(NC[C@@H](C)[N@@H+]2CCc3sccc3C2)c([N+](=O)[O-])c1 ZINC000301455420 456120399 /nfs/dbraw/zinc/12/03/99/456120399.db2.gz RUWRQPVWQYQOCK-GFCCVEGCSA-N 1 0 332.429 3.218 20 5 EGBDRO Cc1ccc(C[N@H+](Cc2ccc(C(N)=O)cc2)C2CC2)cc1[N+](=O)[O-] ZINC000271092705 456123467 /nfs/dbraw/zinc/12/34/67/456123467.db2.gz LJXVIOLDBJVDMY-UHFFFAOYSA-N 1 0 339.395 3.167 20 5 EGBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H](O)c2ccc(C)o2)cc1[N+](=O)[O-] ZINC000271133995 456136538 /nfs/dbraw/zinc/13/65/38/456136538.db2.gz MMIUMVTXEAUMIJ-DOMZBBRYSA-N 1 0 334.372 3.279 20 5 EGBDRO CC(C)NC(=O)c1ccc(N[C@@H](C)C[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000301530158 456139595 /nfs/dbraw/zinc/13/95/95/456139595.db2.gz PAKFYAPQVHYZIH-AWEZNQCLSA-N 1 0 348.447 3.019 20 5 EGBDRO C[C@@H]1C[N@@H+](CCCCNc2ccc([N+](=O)[O-])cc2F)C[C@H](C)O1 ZINC000301543644 456142389 /nfs/dbraw/zinc/14/23/89/456142389.db2.gz DESXHXNAMREPKY-BETUJISGSA-N 1 0 325.384 3.035 20 5 EGBDRO CC(C)(NC(=O)CC[C@@H]([NH3+])c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000236655928 456164522 /nfs/dbraw/zinc/16/45/22/456164522.db2.gz ZFPVETNMNYOFRG-QGZVFWFLSA-N 1 0 341.411 3.426 20 5 EGBDRO CC(C)(COCc1ccccc1)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000281236779 456174817 /nfs/dbraw/zinc/17/48/17/456174817.db2.gz CSBBLZPHCTYHDR-GOSISDBHSA-N 1 0 344.411 3.213 20 5 EGBDRO Cc1nc(N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000301671181 456182174 /nfs/dbraw/zinc/18/21/74/456182174.db2.gz QMJUSPRKGQNOJC-KRWDZBQOSA-N 1 0 340.427 3.257 20 5 EGBDRO C[C@H]([NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1)C(=O)N(C)C ZINC000188992425 456192224 /nfs/dbraw/zinc/19/22/24/456192224.db2.gz HPFGQFMYNNIPGQ-RYUDHWBXSA-N 1 0 347.440 3.451 20 5 EGBDRO CC[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000273147485 456192961 /nfs/dbraw/zinc/19/29/61/456192961.db2.gz LFOXLOXDMNVHFY-CVEARBPZSA-N 1 0 330.384 3.075 20 5 EGBDRO C[C@H](NC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000297590156 456259138 /nfs/dbraw/zinc/25/91/38/456259138.db2.gz MQDCEJFOUJUQAX-KBPBESRZSA-N 1 0 348.447 3.028 20 5 EGBDRO Cc1cc(N(C)C[C@H]2CCCC[C@@H]2O)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302094557 456285907 /nfs/dbraw/zinc/28/59/07/456285907.db2.gz RGWWKUJKXYWPBV-ACJLOTCBSA-N 1 0 329.400 3.439 20 5 EGBDRO C[NH+](C)Cc1ccc(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)cc1 ZINC000342915175 456310770 /nfs/dbraw/zinc/31/07/70/456310770.db2.gz PQICFOFTJPLBKQ-UHFFFAOYSA-N 1 0 338.367 3.390 20 5 EGBDRO Cc1cccc(C)c1C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000342930589 456321445 /nfs/dbraw/zinc/32/14/45/456321445.db2.gz IHCCCGLWPFYEHT-HNNXBMFYSA-N 1 0 326.400 3.293 20 5 EGBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342943370 456327817 /nfs/dbraw/zinc/32/78/17/456327817.db2.gz CEHGDCFDQRPADR-CYBMUJFWSA-N 1 0 344.415 3.070 20 5 EGBDRO CN(CC[N@H+](C)C1CC1)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000290609409 456381070 /nfs/dbraw/zinc/38/10/70/456381070.db2.gz WJAFFOWQVFJWGP-UHFFFAOYSA-N 1 0 346.456 3.244 20 5 EGBDRO CC1(C)CCC[N@H+](CCNc2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000343113824 456414549 /nfs/dbraw/zinc/41/45/49/456414549.db2.gz ZEZDPLWFNRASLN-UHFFFAOYSA-N 1 0 335.433 3.133 20 5 EGBDRO CS[C@@H](CO)[C@@H](C)[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290933401 456472178 /nfs/dbraw/zinc/47/21/78/456472178.db2.gz SHHTYKICUXQWFT-HQJQHLMTSA-N 1 0 339.244 3.104 20 5 EGBDRO CCC[C@@H]([NH2+]Cc1cnn(CCOC)c1)c1cccc([N+](=O)[O-])c1 ZINC000282406092 456503404 /nfs/dbraw/zinc/50/34/04/456503404.db2.gz CBTKOMQTXIZDDT-QGZVFWFLSA-N 1 0 332.404 3.069 20 5 EGBDRO COC(=O)c1ccc([C@@H](C)[N@H+](C)CCc2cccc([N+](=O)[O-])c2)o1 ZINC000282521470 456538990 /nfs/dbraw/zinc/53/89/90/456538990.db2.gz TZMJPWRZJJJIOX-GFCCVEGCSA-N 1 0 332.356 3.210 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCCC[C@@H]2[C@H]2CCCC[C@H]2O)c1 ZINC000291171060 456553310 /nfs/dbraw/zinc/55/33/10/456553310.db2.gz NGLCZPXNFSMDBT-NCXUSEDFSA-N 1 0 348.443 3.034 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H]1CCO[C@H]1c1cccnc1 ZINC000343383982 456577600 /nfs/dbraw/zinc/57/76/00/456577600.db2.gz AMWBGFZZBJIYQS-AKGBKDGASA-N 1 0 325.368 3.123 20 5 EGBDRO O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)[C@H]1CCC[NH2+]1 ZINC000337887037 456587960 /nfs/dbraw/zinc/58/79/60/456587960.db2.gz WTNNMKQWEKEBII-MRXNPFEDSA-N 1 0 327.340 3.078 20 5 EGBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000291489491 456658635 /nfs/dbraw/zinc/65/86/35/456658635.db2.gz SKSWNRNZFQCMDR-JTQLQIEISA-N 1 0 346.214 3.116 20 5 EGBDRO COc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000299452749 456698898 /nfs/dbraw/zinc/69/88/98/456698898.db2.gz ZTXUJCALROPAIN-STQMWFEESA-N 1 0 343.383 3.281 20 5 EGBDRO CC(C)Oc1ccc([C@@H](CNc2ncccc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000340856807 456723521 /nfs/dbraw/zinc/72/35/21/456723521.db2.gz ZJATYFVTXHUMPL-QGZVFWFLSA-N 1 0 344.415 3.492 20 5 EGBDRO CC(C)(NCc1cccc2c1OCCO2)c1ccccc1[N+](=O)[O-] ZINC000291796333 456760755 /nfs/dbraw/zinc/76/07/55/456760755.db2.gz WQSOGXIKSFQCLU-UHFFFAOYSA-N 1 0 328.368 3.391 20 5 EGBDRO COc1ccc(-c2ccc(C[N@H+](C)[C@H]3CCC[C@H]3O)o2)c([N+](=O)[O-])c1 ZINC000348562733 456767223 /nfs/dbraw/zinc/76/72/23/456767223.db2.gz ZYZSVDNNCMUVJF-DOTOQJQBSA-N 1 0 346.383 3.209 20 5 EGBDRO Cc1cccc(C[N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)n1 ZINC000348583190 456777979 /nfs/dbraw/zinc/77/79/79/456777979.db2.gz XAHNZIVYLRZYES-UHFFFAOYSA-N 1 0 342.399 3.067 20 5 EGBDRO COc1ccc(OCC[NH2+]C(C)(C)c2ccc(C)nc2)c([N+](=O)[O-])c1 ZINC000353582270 456780806 /nfs/dbraw/zinc/78/08/06/456780806.db2.gz QEQWPJZONVVJHV-UHFFFAOYSA-N 1 0 345.399 3.211 20 5 EGBDRO C[N@H+](CCC(=O)Nc1cccc(F)c1)CCc1cccc([N+](=O)[O-])c1 ZINC000338351879 456782715 /nfs/dbraw/zinc/78/27/15/456782715.db2.gz RFEZYAJKVLZILU-UHFFFAOYSA-N 1 0 345.374 3.237 20 5 EGBDRO C[C@@H]1CC[C@H](C[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000353591205 456788466 /nfs/dbraw/zinc/78/84/66/456788466.db2.gz WWKDWGFBSLYNGA-KEYYUXOJSA-N 1 0 328.416 3.444 20 5 EGBDRO C[C@@H]1C[N@@H+](CCCNc2ccc(Cl)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000301068995 456788813 /nfs/dbraw/zinc/78/88/13/456788813.db2.gz GYCPEWCLOLEJHT-TXEJJXNPSA-N 1 0 327.812 3.159 20 5 EGBDRO CCN(C)c1ccc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])cn1 ZINC000348670539 456809499 /nfs/dbraw/zinc/80/94/99/456809499.db2.gz JAXQTZHKQGPWTH-UHFFFAOYSA-N 1 0 328.416 3.120 20 5 EGBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000301166988 456812060 /nfs/dbraw/zinc/81/20/60/456812060.db2.gz CNHHIGPZYAPMAU-LBPRGKRZSA-N 1 0 332.429 3.218 20 5 EGBDRO CO[C@H]1CCC[C@H]1C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000341274837 456830079 /nfs/dbraw/zinc/83/00/79/456830079.db2.gz YCXDZIPCCBVQFK-GWCFXTLKSA-N 1 0 330.331 3.101 20 5 EGBDRO Cc1cccc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1C ZINC000353712755 456867578 /nfs/dbraw/zinc/86/75/78/456867578.db2.gz PRHJEWAEOSFJEG-MRXNPFEDSA-N 1 0 326.400 3.293 20 5 EGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCN(C2CC2)C1 ZINC000349249432 456923631 /nfs/dbraw/zinc/92/36/31/456923631.db2.gz VJJMHBGVFHWVNT-KBPBESRZSA-N 1 0 335.473 3.292 20 5 EGBDRO Cc1nc(C(C)C)ccc1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000339130320 456954163 /nfs/dbraw/zinc/95/41/63/456954163.db2.gz AIAYXPQMDYXANV-UHFFFAOYSA-N 1 0 343.431 3.455 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC000353903808 456959477 /nfs/dbraw/zinc/95/94/77/456959477.db2.gz HUZCRZUZEGMQGH-CHWSQXEVSA-N 1 0 334.420 3.104 20 5 EGBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1ncnc2sc([N+](=O)[O-])cc21 ZINC000341845746 456968928 /nfs/dbraw/zinc/96/89/28/456968928.db2.gz QAEPEPLNZOCGKP-TUAOUCFPSA-N 1 0 349.460 3.378 20 5 EGBDRO Cc1nn(C)c(N[C@H](C[N@H+](C)Cc2ccccc2)C(C)C)c1[N+](=O)[O-] ZINC000346202074 457023146 /nfs/dbraw/zinc/02/31/46/457023146.db2.gz YAMBIQCOGKIYGH-MRXNPFEDSA-N 1 0 345.447 3.205 20 5 EGBDRO C/C=C/C[C@H](CO)[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000349820318 457066413 /nfs/dbraw/zinc/06/64/13/457066413.db2.gz FNNBVDVZWYVWLM-ITDFMYJTSA-N 1 0 346.383 3.280 20 5 EGBDRO CC(C)[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1C ZINC000362738859 457071449 /nfs/dbraw/zinc/07/14/49/457071449.db2.gz XSAUAXONUJLFOE-CQSZACIVSA-N 1 0 340.811 3.052 20 5 EGBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)C[C@@H]1C ZINC000331026696 457122112 /nfs/dbraw/zinc/12/21/12/457122112.db2.gz VLWPYEBMSLSMMS-ZFWWWQNUSA-N 1 0 334.420 3.240 20 5 EGBDRO Cc1cc(N2CC[N@@H+]3CCC[C@@H]3C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000359886137 457137917 /nfs/dbraw/zinc/13/79/17/457137917.db2.gz YZQAXWVOJDWISC-LLVKDONJSA-N 1 0 329.322 3.206 20 5 EGBDRO Cc1ccc(C(=O)NCc2cccc(-n3ccnc3)c2)cc1[N+](=O)[O-] ZINC000360019073 457206214 /nfs/dbraw/zinc/20/62/14/457206214.db2.gz XRHMJSVBTKVDFD-UHFFFAOYSA-N 1 0 336.351 3.019 20 5 EGBDRO CCc1cnc(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)s1 ZINC000331590892 457212518 /nfs/dbraw/zinc/21/25/18/457212518.db2.gz KQWSZNBSSLJHFT-STQMWFEESA-N 1 0 335.433 3.084 20 5 EGBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H](c1cccs1)C1CC1 ZINC000342299422 457222535 /nfs/dbraw/zinc/22/25/35/457222535.db2.gz BFOCQUNBGIYDPJ-DYVFJYSZSA-N 1 0 348.424 3.137 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000331731445 457241732 /nfs/dbraw/zinc/24/17/32/457241732.db2.gz PWLUENUFOXVZCY-HZPDHXFCSA-N 1 0 345.443 3.299 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(CCCO)CC1 ZINC000360087021 457248743 /nfs/dbraw/zinc/24/87/43/457248743.db2.gz GCEYZQPKMAHPRJ-UHFFFAOYSA-N 1 0 336.432 3.367 20 5 EGBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](C)C2(CCC2)C1 ZINC000357011436 457274803 /nfs/dbraw/zinc/27/48/03/457274803.db2.gz ODNASKYQOKUOAI-KBPBESRZSA-N 1 0 331.416 3.434 20 5 EGBDRO CC[C@@H](CC(F)(F)F)[NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000354539394 457277912 /nfs/dbraw/zinc/27/79/12/457277912.db2.gz GUBZIZZZMVBJJM-UWVGGRQHSA-N 1 0 333.310 3.242 20 5 EGBDRO C[C@H]1CC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC12CCC2 ZINC000357028335 457285456 /nfs/dbraw/zinc/28/54/56/457285456.db2.gz UNIMAVZMDIDDFU-YOEHRIQHSA-N 1 0 343.427 3.212 20 5 EGBDRO CC[C@H]1[C@@H](C)CC[N@@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000360476803 457313105 /nfs/dbraw/zinc/31/31/05/457313105.db2.gz IWDQTDHBJNUBDE-JSGCOSHPSA-N 1 0 333.388 3.013 20 5 EGBDRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000347279239 457327268 /nfs/dbraw/zinc/32/72/68/457327268.db2.gz XDXMPHOSHJWOEW-RYUDHWBXSA-N 1 0 338.383 3.118 20 5 EGBDRO C[C@@H]([NH2+]Cc1cnnn1C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000352598860 457493391 /nfs/dbraw/zinc/49/33/91/457493391.db2.gz VHTDBYUIHURBPZ-LLVKDONJSA-N 1 0 343.412 3.303 20 5 EGBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCCC23CC[NH+](C)CC3)c1 ZINC000370203983 457584489 /nfs/dbraw/zinc/58/44/89/457584489.db2.gz LYPYJECKSFCCIZ-UHFFFAOYSA-N 1 0 349.456 3.017 20 5 EGBDRO CSC1(CNc2ccc3ncccc3c2[N+](=O)[O-])CC[NH+](C)CC1 ZINC000357551337 457591008 /nfs/dbraw/zinc/59/10/08/457591008.db2.gz SZZZTWPUNZWWPS-UHFFFAOYSA-N 1 0 346.456 3.382 20 5 EGBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000361156869 457618913 /nfs/dbraw/zinc/61/89/13/457618913.db2.gz ZAKVYZTYBGZCKG-UONOGXRCSA-N 1 0 329.400 3.379 20 5 EGBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000361156867 457619171 /nfs/dbraw/zinc/61/91/71/457619171.db2.gz ZAKVYZTYBGZCKG-KBPBESRZSA-N 1 0 329.400 3.379 20 5 EGBDRO Cc1ccccc1C[N@@H+]1CCCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000374416440 457620251 /nfs/dbraw/zinc/62/02/51/457620251.db2.gz QZENZSRKOAYUAQ-UHFFFAOYSA-N 1 0 332.429 3.072 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@H]2CCc3c[nH]nc3C2)o1 ZINC000374543130 457654826 /nfs/dbraw/zinc/65/48/26/457654826.db2.gz ZRCDNZZXTNEOBN-CYBMUJFWSA-N 1 0 338.367 3.225 20 5 EGBDRO COCc1cc([N+](=O)[O-])ccc1NC[C@H](c1ccccc1)[NH+](C)C ZINC000357689651 457658602 /nfs/dbraw/zinc/65/86/02/457658602.db2.gz XRILBRSWKYKDHS-GOSISDBHSA-N 1 0 329.400 3.456 20 5 EGBDRO Cc1c(C[N@@H+]2CC[C@](O)(c3ccc(F)cc3)C2)cccc1[N+](=O)[O-] ZINC000374882378 457726746 /nfs/dbraw/zinc/72/67/46/457726746.db2.gz XEMUCQPJNMVMPR-GOSISDBHSA-N 1 0 330.359 3.136 20 5 EGBDRO C[C@H](C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1ccc(F)cc1 ZINC000425961728 457747593 /nfs/dbraw/zinc/74/75/93/457747593.db2.gz DFBFVPBRYZKNAH-CYBMUJFWSA-N 1 0 332.379 3.371 20 5 EGBDRO C[C@@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000443332203 457750060 /nfs/dbraw/zinc/75/00/60/457750060.db2.gz HFRGLRFVKAVJIJ-PBFPGSCMSA-N 1 0 345.399 3.231 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H](C(=O)N(C)C)C2)cc1[N+](=O)[O-] ZINC000361494819 457753540 /nfs/dbraw/zinc/75/35/40/457753540.db2.gz ACARLSOCFQCOQF-IMJJTQAJSA-N 1 0 333.432 3.201 20 5 EGBDRO CC(C)C1CCC([N@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000433165557 457766910 /nfs/dbraw/zinc/76/69/10/457766910.db2.gz CHQGROCIAXFTKJ-UHFFFAOYSA-N 1 0 333.432 3.340 20 5 EGBDRO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000443643441 457796967 /nfs/dbraw/zinc/79/69/67/457796967.db2.gz VLGOOULCVADFOA-MJBXVCDLSA-N 1 0 349.431 3.298 20 5 EGBDRO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000411313505 457856576 /nfs/dbraw/zinc/85/65/76/457856576.db2.gz QBXJOMIUSHERLM-OLZOCXBDSA-N 1 0 335.404 3.052 20 5 EGBDRO C[C@H]([NH2+]C[C@H]1COCCO1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000358214813 457864018 /nfs/dbraw/zinc/86/40/18/457864018.db2.gz FIECCKPOCYUYSA-STQMWFEESA-N 1 0 348.424 3.389 20 5 EGBDRO C[C@@H](c1ccccn1)[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411412915 457880102 /nfs/dbraw/zinc/88/01/02/457880102.db2.gz CLIBRQIELVOJDM-ZDUSSCGKSA-N 1 0 328.372 3.011 20 5 EGBDRO O=C(CC[N@@H+]1CCC[C@H]1c1cccnc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411413008 457880643 /nfs/dbraw/zinc/88/06/43/457880643.db2.gz GHRRPNNNSCWVPD-KRWDZBQOSA-N 1 0 340.383 3.156 20 5 EGBDRO CC(C)[N@H+](CCC(=O)Nc1cccnc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000358291471 457915586 /nfs/dbraw/zinc/91/55/86/457915586.db2.gz OAFFZSJXYOHSMW-UHFFFAOYSA-N 1 0 342.399 3.229 20 5 EGBDRO CCO[C@H]1C[C@H](N(C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1(C)C ZINC000444635287 457924696 /nfs/dbraw/zinc/92/46/96/457924696.db2.gz AGQDOZGDKYFIFP-GJZGRUSLSA-N 1 0 332.404 3.107 20 5 EGBDRO CC[C@@H]1CCCC[C@H]1[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000444673560 457935144 /nfs/dbraw/zinc/93/51/44/457935144.db2.gz JAPNFWXWKQPNNB-QGPMSJSTSA-N 1 0 336.432 3.235 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@H]1CC[C@@H](C)C1 ZINC000411632738 457935811 /nfs/dbraw/zinc/93/58/11/457935811.db2.gz GSPBVHINWXGBKK-OLZOCXBDSA-N 1 0 335.404 3.052 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](CC1CCC1)C(C)C ZINC000411647588 457938690 /nfs/dbraw/zinc/93/86/90/457938690.db2.gz RJGPQLLDUSFEGK-UHFFFAOYSA-N 1 0 349.431 3.443 20 5 EGBDRO CCC1(CC)[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H](C)[C@@H]1OC ZINC000444695200 457943584 /nfs/dbraw/zinc/94/35/84/457943584.db2.gz DUYYCZIBTIZXOT-JECHBYEQSA-N 1 0 346.431 3.400 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H](C(C)C)C1 ZINC000444773600 457973624 /nfs/dbraw/zinc/97/36/24/457973624.db2.gz RTLRVIQUNYEMMZ-CQSZACIVSA-N 1 0 349.431 3.300 20 5 EGBDRO CCC[C@@H]([NH2+]C[C@@]1(N(C)C)CCSC1)c1cccc([N+](=O)[O-])c1 ZINC000361972905 457987609 /nfs/dbraw/zinc/98/76/09/457987609.db2.gz USYDEZKTJSBLDN-SJORKVTESA-N 1 0 337.489 3.463 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CCOCC(F)(F)C(F)F ZINC000434788914 458050260 /nfs/dbraw/zinc/05/02/60/458050260.db2.gz WIAWLWFVOSMCJM-HYXAFXHYSA-N 1 0 336.285 3.115 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]1CCCCN1C1CC1 ZINC000434794046 458051923 /nfs/dbraw/zinc/05/19/23/458051923.db2.gz MMPXXTXPQAQONO-QGZVFWFLSA-N 1 0 333.432 3.100 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@H](N2CCCC2=O)CC1 ZINC000412054407 458070340 /nfs/dbraw/zinc/07/03/40/458070340.db2.gz IIECMCJKCBBNCE-CVEARBPZSA-N 1 0 345.443 3.441 20 5 EGBDRO Cc1ccc(CN2CC[N@@H+](C)C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000434991632 458076186 /nfs/dbraw/zinc/07/61/86/458076186.db2.gz NYIPDKKJMXRURF-IBGZPJMESA-N 1 0 325.412 3.392 20 5 EGBDRO CN(c1ccccc1)c1ccc(C[N@@H+]2CCC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000435056392 458087066 /nfs/dbraw/zinc/08/70/66/458087066.db2.gz MPCQDHQVNXFIIS-KRWDZBQOSA-N 1 0 341.411 3.319 20 5 EGBDRO CCc1nc(C)c(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)o1 ZINC000428246426 458107109 /nfs/dbraw/zinc/10/71/09/458107109.db2.gz YNCNBEXHZHIFFL-UHFFFAOYSA-N 1 0 345.399 3.497 20 5 EGBDRO [NH3+]C[C@@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000435380812 458128159 /nfs/dbraw/zinc/12/81/59/458128159.db2.gz SZSZTSFJFFZNPS-NSHDSACASA-N 1 0 335.791 3.289 20 5 EGBDRO CC1(C)CCCC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000446059077 458136024 /nfs/dbraw/zinc/13/60/24/458136024.db2.gz CZOCFHYPFMRZDP-MRXNPFEDSA-N 1 0 331.416 3.212 20 5 EGBDRO C[C@@H](CCNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)[NH+]1CCCCC1 ZINC000412260821 458147185 /nfs/dbraw/zinc/14/71/85/458147185.db2.gz VMRHVIBFBXIXMG-JCGIZDLHSA-N 1 0 345.443 3.079 20 5 EGBDRO COc1ccc(-c2ccc(C[N@@H+]3CCC[C@H]3CCO)o2)c([N+](=O)[O-])c1 ZINC000428463620 458149328 /nfs/dbraw/zinc/14/93/28/458149328.db2.gz SCJOTGZCLDZKNH-ZDUSSCGKSA-N 1 0 346.383 3.210 20 5 EGBDRO Cn1cc(C[N@@H+]2CC[C@H]3CCC[C@@H]32)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000428464001 458149886 /nfs/dbraw/zinc/14/98/86/458149886.db2.gz WVIYGKKIFQKOQA-DYVFJYSZSA-N 1 0 326.400 3.370 20 5 EGBDRO CCOC(=O)[C@H](C)[C@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000358806125 458229835 /nfs/dbraw/zinc/22/98/35/458229835.db2.gz IYSZEWADJITZGU-OLZOCXBDSA-N 1 0 338.404 3.059 20 5 EGBDRO CC1(C)CN(CCOc2cccc([N+](=O)[O-])c2)C[C@@H](C(F)(F)F)O1 ZINC000428925217 458232123 /nfs/dbraw/zinc/23/21/23/458232123.db2.gz FSAKRVJFNVEHBO-ZDUSSCGKSA-N 1 0 348.321 3.015 20 5 EGBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@@H](C)C1 ZINC000429014884 458257067 /nfs/dbraw/zinc/25/70/67/458257067.db2.gz ZGWSKGZUQXOWCD-PEBVRCNWSA-N 1 0 339.386 3.035 20 5 EGBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000429027564 458260742 /nfs/dbraw/zinc/26/07/42/458260742.db2.gz MLPHLMGIKXBACZ-PBFPGSCMSA-N 1 0 337.851 3.410 20 5 EGBDRO Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)cc1[N+](=O)[O-] ZINC000436233763 458273762 /nfs/dbraw/zinc/27/37/62/458273762.db2.gz UGLFOYCHEXHPLF-KRWDZBQOSA-N 1 0 345.443 3.430 20 5 EGBDRO CC(C)(C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)N1CCCCC1 ZINC000447512059 458301897 /nfs/dbraw/zinc/30/18/97/458301897.db2.gz OFZVBBHWCZELHU-JKSUJKDBSA-N 1 0 349.479 3.129 20 5 EGBDRO CC(C)([NH2+]CCN1CCc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000429263596 458302559 /nfs/dbraw/zinc/30/25/59/458302559.db2.gz JVJIQMPSJRDFJD-UHFFFAOYSA-N 1 0 325.412 3.482 20 5 EGBDRO CCc1nc(CC[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cs1 ZINC000447528088 458305874 /nfs/dbraw/zinc/30/58/74/458305874.db2.gz HZUZYXVPXYPSMB-ZIAGYGMSSA-N 1 0 349.460 3.126 20 5 EGBDRO COc1ccc(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1F ZINC000447559875 458312010 /nfs/dbraw/zinc/31/20/10/458312010.db2.gz BKRQQBJMKHVTII-GJZGRUSLSA-N 1 0 348.378 3.213 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@@H](CO)Cc1ccc(F)cc1)CCC2 ZINC000447585607 458316362 /nfs/dbraw/zinc/31/63/62/458316362.db2.gz KWEMLCNLTBNKPO-APWZRJJASA-N 1 0 344.386 3.305 20 5 EGBDRO C[C@H](C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)Oc1ccccc1 ZINC000447582394 458316724 /nfs/dbraw/zinc/31/67/24/458316724.db2.gz ZMDOOKYCGGSPHR-HYVNUMGLSA-N 1 0 344.415 3.332 20 5 EGBDRO COc1ccc(OCC[N@@H+]2CCc3cccc(C)c3C2)c([N+](=O)[O-])c1 ZINC000429573011 458348447 /nfs/dbraw/zinc/34/84/47/458348447.db2.gz XBIUQUPRLMBAEL-UHFFFAOYSA-N 1 0 342.395 3.349 20 5 EGBDRO C[C@@H](CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC000429863916 458378661 /nfs/dbraw/zinc/37/86/61/458378661.db2.gz HIMVMWMVFGRSMP-CABCVRRESA-N 1 0 347.459 3.252 20 5 EGBDRO Cc1ccccc1[C@@H](C)[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000459504997 458394720 /nfs/dbraw/zinc/39/47/20/458394720.db2.gz INKCOYDAYBFFHV-OAHLLOKOSA-N 1 0 326.400 3.181 20 5 EGBDRO O=[N+]([O-])c1ccn(C2CC[NH+](CCc3cccc(Cl)c3)CC2)n1 ZINC000459511360 458395477 /nfs/dbraw/zinc/39/54/77/458395477.db2.gz ITVTYGLEDKRSIJ-UHFFFAOYSA-N 1 0 334.807 3.324 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000459522250 458398655 /nfs/dbraw/zinc/39/86/55/458398655.db2.gz HUWLZQXCEDURIH-CQSZACIVSA-N 1 0 334.420 3.065 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1CN1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000430198264 458419147 /nfs/dbraw/zinc/41/91/47/458419147.db2.gz QRSRYGDPFCDWTH-GOSISDBHSA-N 1 0 346.358 3.316 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CC[C@@](O)(C4CC4)C3)o2)cc1 ZINC000373328518 458462483 /nfs/dbraw/zinc/46/24/83/458462483.db2.gz OPVYQXJFONOTCA-SFHVURJKSA-N 1 0 328.368 3.202 20 5 EGBDRO [NH3+]CC1(CC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CCCCC1 ZINC000423723509 458475985 /nfs/dbraw/zinc/47/59/85/458475985.db2.gz LNQYDFWWPQVQBC-UHFFFAOYSA-N 1 0 345.443 3.385 20 5 EGBDRO CCC[C@H]([NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)C1CCC1 ZINC000459786229 458478544 /nfs/dbraw/zinc/47/85/44/458478544.db2.gz DDEPWDGLVMSHGX-WFASDCNBSA-N 1 0 349.431 3.489 20 5 EGBDRO [NH3+]C[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)C1CCCC1 ZINC000423938760 458518161 /nfs/dbraw/zinc/51/81/61/458518161.db2.gz JXOBLYYQSKSSEQ-CYBMUJFWSA-N 1 0 333.413 3.057 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000423967356 458524938 /nfs/dbraw/zinc/52/49/38/458524938.db2.gz JFONUMWBRVMKOH-KRWDZBQOSA-N 1 0 341.411 3.422 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[NH+](CCOC(C)C)CC1 ZINC000470176436 458620879 /nfs/dbraw/zinc/62/08/79/458620879.db2.gz KXFOTTNUAZUZMP-GHRIWEEISA-N 1 0 347.459 3.041 20 5 EGBDRO C[C@H]1C[N@H+](C)CC[C@H]1NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494491054 458687949 /nfs/dbraw/zinc/68/79/49/458687949.db2.gz ZLPNKNZEFQTRQW-IINYFYTJSA-N 1 0 331.338 3.043 20 5 EGBDRO CC(C)c1ccc(CNCCC[N@@H+]2CCCO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000432349829 458722137 /nfs/dbraw/zinc/72/21/37/458722137.db2.gz YEKCVKYIDWFQCK-INIZCTEOSA-N 1 0 349.475 3.309 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000463954648 458726373 /nfs/dbraw/zinc/72/63/73/458726373.db2.gz MFBGHEFLYGWNGF-DOMZBBRYSA-N 1 0 348.447 3.454 20 5 EGBDRO COC(=O)COc1ccc(C[N@H+](C)[C@@H](C)C(C)(C)C)cc1[N+](=O)[O-] ZINC000530553334 458790123 /nfs/dbraw/zinc/79/01/23/458790123.db2.gz MIZCRPYSPCWCHK-LBPRGKRZSA-N 1 0 338.404 3.013 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CCOC3CCCCCC3)C2)nc1 ZINC000440493978 458820250 /nfs/dbraw/zinc/82/02/50/458820250.db2.gz ZBKQWDRUJCEJCZ-OAHLLOKOSA-N 1 0 348.447 3.215 20 5 EGBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@@H+]1CCCC1(C)C ZINC000457057297 458850964 /nfs/dbraw/zinc/85/09/64/458850964.db2.gz OUJIIRYBOGQDRZ-INIZCTEOSA-N 1 0 347.459 3.154 20 5 EGBDRO COC[C@@H](Cc1ccccc1)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000475141256 458922445 /nfs/dbraw/zinc/92/24/45/458922445.db2.gz VRDAOVAUNDFTOY-QGZVFWFLSA-N 1 0 332.375 3.423 20 5 EGBDRO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)[C@@H](CCO)c1ccccc1 ZINC000441423597 458939562 /nfs/dbraw/zinc/93/95/62/458939562.db2.gz SQJAWKFIDHQCDJ-IBGZPJMESA-N 1 0 344.411 3.419 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@@]2(CO)Cc2ccccc2)cc1 ZINC000475679965 458958565 /nfs/dbraw/zinc/95/85/65/458958565.db2.gz NWLJYGJSXWTPID-FQEVSTJZSA-N 1 0 340.423 3.207 20 5 EGBDRO CCOC(=O)c1cc(NCC2([NH+](C)C)CCCC2)ccc1[N+](=O)[O-] ZINC000467748154 458984116 /nfs/dbraw/zinc/98/41/16/458984116.db2.gz UKMCHVOCBUYYOU-UHFFFAOYSA-N 1 0 335.404 3.058 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H]1CC[C@](O)(C(F)(F)F)C1 ZINC000589939165 459052912 /nfs/dbraw/zinc/05/29/12/459052912.db2.gz WAGOSIRTUMPCKR-MOBDVTQCSA-N 1 0 330.306 3.044 20 5 EGBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@H](c2nnc[nH]2)C2CCCCC2)cc1 ZINC000589945760 459055183 /nfs/dbraw/zinc/05/51/83/459055183.db2.gz SBIHFTCQQKLLEG-INIZCTEOSA-N 1 0 345.403 3.003 20 5 EGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@]1(CO)C[C@H]1c1ccccc1 ZINC000594518369 459075447 /nfs/dbraw/zinc/07/54/47/459075447.db2.gz GNNCYIWKMLATNV-CMKODMSKSA-N 1 0 338.407 3.338 20 5 EGBDRO CC(=O)c1cc(N2CCC(C[N@@H+](C)C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000557506470 459077170 /nfs/dbraw/zinc/07/71/70/459077170.db2.gz OSHNGXKDRLHOSR-UHFFFAOYSA-N 1 0 333.432 3.354 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+][C@@H](CO)CC1CCC1 ZINC000479509957 459145179 /nfs/dbraw/zinc/14/51/79/459145179.db2.gz KFWCKUPTPYVOHW-CGTJXYLNSA-N 1 0 332.444 3.447 20 5 EGBDRO C[C@@H]1CCN(CC[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000532801699 459148715 /nfs/dbraw/zinc/14/87/15/459148715.db2.gz GQKITJSUUUZPFL-SOLBZPMBSA-N 1 0 331.460 3.237 20 5 EGBDRO CC[NH+](CC)[C@@H](CNc1c(Cl)cncc1[N+](=O)[O-])c1ccco1 ZINC000590575721 459152890 /nfs/dbraw/zinc/15/28/90/459152890.db2.gz RGDHFHDUQQJXSB-LBPRGKRZSA-N 1 0 338.795 3.153 20 5 EGBDRO COc1ccc(NC(=O)C[N@H+](CC(C)C)C2CCCC2)c([N+](=O)[O-])c1 ZINC000532933444 459162626 /nfs/dbraw/zinc/16/26/26/459162626.db2.gz IDUMZKQHCYLONU-UHFFFAOYSA-N 1 0 349.431 3.443 20 5 EGBDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000590657734 459173947 /nfs/dbraw/zinc/17/39/47/459173947.db2.gz PXFNCCWAVVKTPJ-CVEARBPZSA-N 1 0 344.367 3.286 20 5 EGBDRO C[C@@H]1[C@H](O)CC[N@@H+]1Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000590661453 459175634 /nfs/dbraw/zinc/17/56/34/459175634.db2.gz QIXBBIYONLCNMA-AUUYWEPGSA-N 1 0 341.411 3.318 20 5 EGBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)[C@H]1Oc1ccccc1 ZINC000480192332 459187009 /nfs/dbraw/zinc/18/70/09/459187009.db2.gz CIDJMSBOQSFFHE-IPMKNSEASA-N 1 0 342.395 3.309 20 5 EGBDRO O=C(NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000521906049 459192628 /nfs/dbraw/zinc/19/26/28/459192628.db2.gz PZFTXCDLUYPRQB-SFHVURJKSA-N 1 0 345.443 3.369 20 5 EGBDRO CC(C)[C@H](CO)[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)C(C)C ZINC000590758043 459206470 /nfs/dbraw/zinc/20/64/70/459206470.db2.gz WNCJRTVUQBZAMU-GUYCJALGSA-N 1 0 335.404 3.115 20 5 EGBDRO COc1cc(CN2CCc3cccc(OC)c3C2)c([N+](=O)[O-])cc1F ZINC000590760082 459208470 /nfs/dbraw/zinc/20/84/70/459208470.db2.gz UPOPQDUOOQZGIL-UHFFFAOYSA-N 1 0 346.358 3.309 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H](CO)Cc1ccccc1 ZINC000595016238 459217319 /nfs/dbraw/zinc/21/73/19/459217319.db2.gz JAGWJARCGJKPEX-GOEBONIOSA-N 1 0 344.411 3.105 20 5 EGBDRO CCC(CC)(C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC)C(=O)OC ZINC000595034491 459223279 /nfs/dbraw/zinc/22/32/79/459223279.db2.gz WCFVTNBAJFGNAL-LBPRGKRZSA-N 1 0 338.404 3.233 20 5 EGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1COc2cc(F)ccc2C1 ZINC000595079143 459239338 /nfs/dbraw/zinc/23/93/38/459239338.db2.gz DEKARAKDXNGCHV-CJNGLKHVSA-N 1 0 328.343 3.315 20 5 EGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@@H]1COc2cc(F)ccc2C1 ZINC000595079150 459239648 /nfs/dbraw/zinc/23/96/48/459239648.db2.gz DEKARAKDXNGCHV-XJKSGUPXSA-N 1 0 328.343 3.315 20 5 EGBDRO CC(C)(C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)[C@@]1(O)CCCOC1 ZINC000595096185 459244425 /nfs/dbraw/zinc/24/44/25/459244425.db2.gz XIQQXWSOGBRMMY-PKOBYXMFSA-N 1 0 348.443 3.130 20 5 EGBDRO O=[N+]([O-])c1cc(F)ccc1CN1CCO[C@]2(CCc3ccccc32)C1 ZINC000595399225 459290771 /nfs/dbraw/zinc/29/07/71/459290771.db2.gz XHBOSBODIMPZIB-LJQANCHMSA-N 1 0 342.370 3.408 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H]3CCCC[C@@H]3NC2=O)cc1[N+](=O)[O-] ZINC000595418962 459294901 /nfs/dbraw/zinc/29/49/01/459294901.db2.gz GVOVNXZBHOWBOE-QCEMKRCNSA-N 1 0 331.416 3.001 20 5 EGBDRO CCNC(=O)C[C@@H]1CCCC[N@@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000560179086 459309670 /nfs/dbraw/zinc/30/96/70/459309670.db2.gz IVCIMBQWQBOFIU-LBPRGKRZSA-N 1 0 339.823 3.129 20 5 EGBDRO Cc1noc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H](C)CC[C@@H]2O)c1[N+](=O)[O-] ZINC000595467678 459314199 /nfs/dbraw/zinc/31/41/99/459314199.db2.gz SWQFHBBWRAZKGY-BEAPCOKYSA-N 1 0 337.420 3.043 20 5 EGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCN1CC[C@@H](C)C1 ZINC000534329401 459315112 /nfs/dbraw/zinc/31/51/12/459315112.db2.gz QPRIWOYTEZUGQQ-HUUCEWRRSA-N 1 0 337.489 3.397 20 5 EGBDRO CCN1CCCC[C@H]1C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000482899780 459330244 /nfs/dbraw/zinc/33/02/44/459330244.db2.gz KPYUGPHPYXQEIO-ZWKOTPCHSA-N 1 0 331.460 3.380 20 5 EGBDRO CCCC[N@H+](Cc1onc(C)c1[N+](=O)[O-])[C@@H]1CCCC[C@H]1OC ZINC000595517667 459331310 /nfs/dbraw/zinc/33/13/10/459331310.db2.gz OJEQTLCYXVFVMB-ZIAGYGMSSA-N 1 0 325.409 3.451 20 5 EGBDRO COc1ccc([C@H](CO)C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000591245112 459340047 /nfs/dbraw/zinc/34/00/47/459340047.db2.gz KAXBNLPTCFYRDJ-ZBFHGGJFSA-N 1 0 344.411 3.339 20 5 EGBDRO CCc1ccc([C@@H](NC[C@@H]2C[C@H](F)C[NH2+]2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000591581846 459407805 /nfs/dbraw/zinc/40/78/05/459407805.db2.gz ZPSFFEKZGIYDEB-DEYYWGMASA-N 1 0 347.390 3.129 20 5 EGBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000561208324 459430891 /nfs/dbraw/zinc/43/08/91/459430891.db2.gz WCZGWYXJXNULCR-CQSZACIVSA-N 1 0 349.431 3.000 20 5 EGBDRO COc1ccc(OCC[N@H+](Cc2ccccn2)C(C)C)c([N+](=O)[O-])c1 ZINC000525270198 459437452 /nfs/dbraw/zinc/43/74/52/459437452.db2.gz ALDMPPQOXHMZSJ-UHFFFAOYSA-N 1 0 345.399 3.288 20 5 EGBDRO Cc1ccc(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000485053704 459440259 /nfs/dbraw/zinc/44/02/59/459440259.db2.gz HVDKKOZDIAABEC-AWEZNQCLSA-N 1 0 331.416 3.496 20 5 EGBDRO O=[N+]([O-])c1ccc(OCC[NH+]2CCC([C@H]3CCCCO3)CC2)cc1 ZINC000595789298 459440899 /nfs/dbraw/zinc/44/08/99/459440899.db2.gz QNCHXVCZNAXONR-GOSISDBHSA-N 1 0 334.416 3.255 20 5 EGBDRO C[C@@H](C[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000541350418 459447765 /nfs/dbraw/zinc/44/77/65/459447765.db2.gz ZEIPSQLNEPAPOO-DOTOQJQBSA-N 1 0 344.411 3.070 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@H](C(C)(C)C)C1 ZINC000541386645 459450604 /nfs/dbraw/zinc/45/06/04/459450604.db2.gz GCIGNVLRGAEPBJ-STQMWFEESA-N 1 0 349.431 3.298 20 5 EGBDRO CC(C)(C)[C@H]1CC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000541388850 459452463 /nfs/dbraw/zinc/45/24/63/459452463.db2.gz DDDXGTBTVNBWSV-XJKSGUPXSA-N 1 0 331.416 3.068 20 5 EGBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1OC(F)F ZINC000562281560 459528565 /nfs/dbraw/zinc/52/85/65/459528565.db2.gz CPEVKCNROSROCB-JTQLQIEISA-N 1 0 327.331 3.092 20 5 EGBDRO C[N@H+]1CC=C(CNc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000596187183 459553535 /nfs/dbraw/zinc/55/35/35/459553535.db2.gz WJTDDEHSEPIBFL-UHFFFAOYSA-N 1 0 326.194 3.031 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@H](Cc2cnn(C)c2)C1 ZINC000527054885 459583983 /nfs/dbraw/zinc/58/39/83/459583983.db2.gz PMTFHVKIACWOJP-YBYKNVHQSA-N 1 0 340.427 3.296 20 5 EGBDRO CC[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)NCc1cccs1 ZINC000592396756 459591038 /nfs/dbraw/zinc/59/10/38/459591038.db2.gz QZAJQJQEVAFVOM-BLLLJJGKSA-N 1 0 347.440 3.402 20 5 EGBDRO CC[N@H+](CCSC)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000592530509 459626664 /nfs/dbraw/zinc/62/66/64/459626664.db2.gz YTXMEHAKGWOHHS-UHFFFAOYSA-N 1 0 334.445 3.180 20 5 EGBDRO C[N@H+](CCC1CCCCC1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000543206300 459636019 /nfs/dbraw/zinc/63/60/19/459636019.db2.gz LUCTVARWRXRDBP-MRXNPFEDSA-N 1 0 336.432 3.237 20 5 EGBDRO O=[N+]([O-])c1cc(F)ccc1NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000596443049 459637828 /nfs/dbraw/zinc/63/78/28/459637828.db2.gz WOBSXXPAMFCEFW-UHFFFAOYSA-N 1 0 344.390 3.453 20 5 EGBDRO C[N@H+](CCc1ccccc1)[C@@H]1CCN(c2sccc2[N+](=O)[O-])C1 ZINC000596462271 459644787 /nfs/dbraw/zinc/64/47/87/459644787.db2.gz NVWDRACYZBDYBY-OAHLLOKOSA-N 1 0 331.441 3.410 20 5 EGBDRO O=[N+]([O-])c1cc(F)c(NCC2CC[NH+](CC3CC3)CC2)c(F)c1 ZINC000596561461 459677532 /nfs/dbraw/zinc/67/75/32/459677532.db2.gz CMRAQZNHPLJRQN-UHFFFAOYSA-N 1 0 325.359 3.407 20 5 EGBDRO CC(=O)c1ccc(NC[C@@H]2CCC[N@H+](CC3CC3)C2)c([N+](=O)[O-])c1 ZINC000596570392 459680323 /nfs/dbraw/zinc/68/03/23/459680323.db2.gz JRHUKHGFMQTKMX-HNNXBMFYSA-N 1 0 331.416 3.331 20 5 EGBDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000596676941 459723278 /nfs/dbraw/zinc/72/32/78/459723278.db2.gz KHDWSCWVUYEOLW-AWEZNQCLSA-N 1 0 348.447 3.002 20 5 EGBDRO Cc1cc(N2CC[C@@H]3[NH2+]CC[C@@H]3C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000584460254 459744146 /nfs/dbraw/zinc/74/41/46/459744146.db2.gz OJNGTXKNMGNMOH-PWSUYJOCSA-N 1 0 329.322 3.110 20 5 EGBDRO Cc1c(NC(=O)CC[N@H+]2CCC[C@H](OC(C)C)C2)cccc1[N+](=O)[O-] ZINC000593055892 459758007 /nfs/dbraw/zinc/75/80/07/459758007.db2.gz SXOQSNNVYZTLBU-HNNXBMFYSA-N 1 0 349.431 3.121 20 5 EGBDRO CCOc1ccc([C@H](C)NCc2ccc(C[NH3+])cc2F)cc1[N+](=O)[O-] ZINC000593323632 459842580 /nfs/dbraw/zinc/84/25/80/459842580.db2.gz RNYHVYLWIAINQW-LBPRGKRZSA-N 1 0 347.390 3.442 20 5 EGBDRO COc1ccc(C[NH2+][C@@H](C)c2ccc3[nH]c(=O)oc3c2)cc1[N+](=O)[O-] ZINC000586789373 459874051 /nfs/dbraw/zinc/87/40/51/459874051.db2.gz YXVOCTXZBMVVJN-JTQLQIEISA-N 1 0 343.339 3.301 20 5 EGBDRO CN(C(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000602234646 459874642 /nfs/dbraw/zinc/87/46/42/459874642.db2.gz SCWKFQWFMWILMO-MRXNPFEDSA-N 1 0 339.395 3.080 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCCn2cncn2)s1 ZINC000608835751 459888327 /nfs/dbraw/zinc/88/83/27/459888327.db2.gz MXDDIXKUZLEREQ-UHFFFAOYSA-N 1 0 343.412 3.095 20 5 EGBDRO COc1ccc(-c2ccc(C[N@H+](C)[C@@H](C)CCO)o2)c([N+](=O)[O-])c1 ZINC000593694704 459954647 /nfs/dbraw/zinc/95/46/47/459954647.db2.gz QHOQUWFLUVVLSQ-LBPRGKRZSA-N 1 0 334.372 3.066 20 5 EGBDRO CC(C)(C)c1ccc(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000609383480 459955567 /nfs/dbraw/zinc/95/55/67/459955567.db2.gz PNLVEVFGRXJXIL-HNNXBMFYSA-N 1 0 345.443 3.106 20 5 EGBDRO CC[NH+](CC)[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1)CC(C)C ZINC000609451658 459964090 /nfs/dbraw/zinc/96/40/90/459964090.db2.gz DVIAGRWRSPNEFH-INIZCTEOSA-N 1 0 339.411 3.220 20 5 EGBDRO CSC[C@@H](C)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602551274 459993254 /nfs/dbraw/zinc/99/32/54/459993254.db2.gz HBNWGXJKTNXPQV-ZCFIWIBFSA-N 1 0 325.253 3.260 20 5 EGBDRO C[C@H](C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)N(C)c1ccccc1 ZINC000602516321 459978092 /nfs/dbraw/zinc/97/80/92/459978092.db2.gz YSGAWLCNHNGWPA-CYBMUJFWSA-N 1 0 340.383 3.351 20 5 EGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1CN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000602516980 459978629 /nfs/dbraw/zinc/97/86/29/459978629.db2.gz UWAWRLKQUFTICN-KBPBESRZSA-N 1 0 343.349 3.330 20 5 EGBDRO C[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)C1CC[NH+](C)CC1 ZINC000609583381 459987273 /nfs/dbraw/zinc/98/72/73/459987273.db2.gz FGQMQUKYCXHVHF-NSHDSACASA-N 1 0 347.440 3.270 20 5 EGBDRO C[C@@H]1CC[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)[C@H](C)C1 ZINC000602549491 459992404 /nfs/dbraw/zinc/99/24/04/459992404.db2.gz CTHBUYYGFKHQLC-CKEIUWERSA-N 1 0 332.448 3.373 20 5 EGBDRO CC[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccncc1 ZINC000602554226 459994471 /nfs/dbraw/zinc/99/44/71/459994471.db2.gz DKRBQFRZNFQOQC-QGZVFWFLSA-N 1 0 341.415 3.095 20 5 EGBDRO CCSCC[C@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602557311 459994959 /nfs/dbraw/zinc/99/49/59/459994959.db2.gz JHCNXGSBADUGPJ-ZDUSSCGKSA-N 1 0 338.477 3.080 20 5 EGBDRO CC1(C)C[C@H]([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CCO1 ZINC000602575749 460004330 /nfs/dbraw/zinc/00/43/30/460004330.db2.gz JGMXKHGVVIJZPW-MRVPVSSYSA-N 1 0 349.250 3.466 20 5 EGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+][C@@H]1CCC[C@H]1CCO ZINC000602625939 460030462 /nfs/dbraw/zinc/03/04/62/460030462.db2.gz VSWLNSNGJXQWPB-GXFFZTMASA-N 1 0 332.322 3.254 20 5 EGBDRO O=C1[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CCCN1C1CCCCC1 ZINC000602627337 460030799 /nfs/dbraw/zinc/03/07/99/460030799.db2.gz RDAJOQBPAHVIQW-GOSISDBHSA-N 1 0 345.443 3.051 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H](CO)c2ccc(Cl)cc2)cc1 ZINC000602663039 460052463 /nfs/dbraw/zinc/05/24/63/460052463.db2.gz RZEQWDZERDHXSI-HNNXBMFYSA-N 1 0 334.803 3.156 20 5 EGBDRO C[N@H+](CCCn1ccnc1)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602662396 460052514 /nfs/dbraw/zinc/05/25/14/460052514.db2.gz NKMSWBLACKMILZ-UHFFFAOYSA-N 1 0 342.321 3.332 20 5 EGBDRO C[C@@H]1CCC[C@]1(O)C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602677604 460061656 /nfs/dbraw/zinc/06/16/56/460061656.db2.gz XDYFDZLRETXRIN-YGRLFVJLSA-N 1 0 332.322 3.254 20 5 EGBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)cc1 ZINC000589300186 460067681 /nfs/dbraw/zinc/06/76/81/460067681.db2.gz AKMGLZQPIZUBAN-ROUUACIJSA-N 1 0 346.427 3.397 20 5 EGBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)cc1 ZINC000589300187 460068246 /nfs/dbraw/zinc/06/82/46/460068246.db2.gz AKMGLZQPIZUBAN-ZWKOTPCHSA-N 1 0 346.427 3.397 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@@H]3CCC[C@@H]3C3CC3)CC2)cn1 ZINC000602695938 460071209 /nfs/dbraw/zinc/07/12/09/460071209.db2.gz PAHFNWNEFIWEPB-MAUKXSAKSA-N 1 0 344.459 3.375 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](CC)C[NH+]1CCCC1 ZINC000589373073 460080976 /nfs/dbraw/zinc/08/09/76/460080976.db2.gz HCEZHCZAGQTAGE-AWEZNQCLSA-N 1 0 334.420 3.153 20 5 EGBDRO Cc1ccc(C[N@@H+]2CC[C@H](OCc3ccccn3)C2)cc1[N+](=O)[O-] ZINC000602714443 460081477 /nfs/dbraw/zinc/08/14/77/460081477.db2.gz JHVKRVYLDCKLFG-KRWDZBQOSA-N 1 0 327.384 3.089 20 5 EGBDRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000597859749 460082261 /nfs/dbraw/zinc/08/22/61/460082261.db2.gz GZFFPMIUXOTMFI-LLVKDONJSA-N 1 0 339.823 3.098 20 5 EGBDRO CSC1CC[NH+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000602724266 460088275 /nfs/dbraw/zinc/08/82/75/460088275.db2.gz BIGWLKULHUMDPG-UHFFFAOYSA-N 1 0 346.456 3.323 20 5 EGBDRO Cc1c(NC(=O)N2CCCC[C@H]2[C@H](C)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000602764487 460111663 /nfs/dbraw/zinc/11/16/63/460111663.db2.gz XLERILSXKDCEAY-CJNGLKHVSA-N 1 0 348.447 3.487 20 5 EGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1Cc2ccccc2NC1=O ZINC000599074826 460151448 /nfs/dbraw/zinc/15/14/48/460151448.db2.gz QKUCNKSZUGTSLP-DYVFJYSZSA-N 1 0 339.395 3.069 20 5 EGBDRO C[N@@H+]1CCCC[C@H](CNc2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000599142605 460173922 /nfs/dbraw/zinc/17/39/22/460173922.db2.gz YBLNYDFRWBFANC-SNVBAGLBSA-N 1 0 332.326 3.152 20 5 EGBDRO COc1ccc(OCC[NH2+][C@@H](C)c2cnc(C)s2)c([N+](=O)[O-])c1 ZINC000602958344 460201704 /nfs/dbraw/zinc/20/17/04/460201704.db2.gz WVEAFCHZXXWFBN-JTQLQIEISA-N 1 0 337.401 3.098 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000610657079 460207186 /nfs/dbraw/zinc/20/71/86/460207186.db2.gz MOFZCGJGAOTDSL-UHFFFAOYSA-N 1 0 328.416 3.054 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CCC(C[NH+]2CCCCC2)CC1 ZINC000610929199 460262178 /nfs/dbraw/zinc/26/21/78/460262178.db2.gz AKWKVSWMMNNMKL-UHFFFAOYSA-N 1 0 338.839 3.346 20 5 EGBDRO Cc1c(NC(=O)CC[N@@H+]2CCCC(F)(F)CC2)cccc1[N+](=O)[O-] ZINC000599551704 460272683 /nfs/dbraw/zinc/27/26/83/460272683.db2.gz AFJMUGOYMPFEEV-UHFFFAOYSA-N 1 0 341.358 3.353 20 5 EGBDRO Cc1cc(C(=O)N(C)CCCC[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000603413751 460300242 /nfs/dbraw/zinc/30/02/42/460300242.db2.gz LHIHBYFEJBVNCR-UHFFFAOYSA-N 1 0 333.432 3.241 20 5 EGBDRO Cc1ccncc1[C@H](C)[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000611299716 460332057 /nfs/dbraw/zinc/33/20/57/460332057.db2.gz CKYCCIBUAKITTQ-KGLIPLIRSA-N 1 0 342.399 3.366 20 5 EGBDRO Cc1cc(N2CC[NH+](CCOc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000603839543 460345948 /nfs/dbraw/zinc/34/59/48/460345948.db2.gz YRSLRVJWBMEZBJ-UHFFFAOYSA-N 1 0 341.411 3.104 20 5 EGBDRO Cc1cc(NCC[NH+]2CCN(c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000603848658 460347798 /nfs/dbraw/zinc/34/77/98/460347798.db2.gz AXOYOUXGHVQLNW-UHFFFAOYSA-N 1 0 340.427 3.137 20 5 EGBDRO CCCCC[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C(C)C ZINC000603874774 460352677 /nfs/dbraw/zinc/35/26/77/460352677.db2.gz RJXOSGOXOJRDBS-UHFFFAOYSA-N 1 0 333.432 3.385 20 5 EGBDRO COc1ccc(CNc2cc[nH+]c3c(O)cccc23)cc1[N+](=O)[O-] ZINC000619477351 460366816 /nfs/dbraw/zinc/36/68/16/460366816.db2.gz JYNLGBZZUQYHPO-UHFFFAOYSA-N 1 0 325.324 3.469 20 5 EGBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611709171 460435441 /nfs/dbraw/zinc/43/54/41/460435441.db2.gz OBUMEUJFLIPPEI-MGPQQGTHSA-N 1 0 343.431 3.316 20 5 EGBDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000604539079 460443729 /nfs/dbraw/zinc/44/37/29/460443729.db2.gz HAIICVYVLIXVBK-INIZCTEOSA-N 1 0 334.420 3.371 20 5 EGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]Cc2cccc(F)c2F)n1 ZINC000601302097 460781702 /nfs/dbraw/zinc/78/17/02/460781702.db2.gz GCWICUDBXMWARZ-ZIAGYGMSSA-N 1 0 336.342 3.343 20 5 EGBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000613234146 460877217 /nfs/dbraw/zinc/87/72/17/460877217.db2.gz BWPRGNLPBATEGP-GOEBONIOSA-N 1 0 347.459 3.010 20 5 EGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCn1ccc(C(F)(F)F)n1 ZINC000601963741 460964462 /nfs/dbraw/zinc/96/44/62/460964462.db2.gz MBFBRTJUTAGCRQ-LBPRGKRZSA-N 1 0 340.305 3.087 20 5 EGBDRO CC(C)Oc1nc(NCC2CC[NH+](C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000515171330 467977223 /nfs/dbraw/zinc/97/72/23/467977223.db2.gz PGJDFZXPRCZPHK-UHFFFAOYSA-N 1 0 334.420 3.063 20 5 EGBDRO C[C@@H](CNc1ncnc2ccc([N+](=O)[O-])cc21)[N@@H+]1CCC[C@H](C)C1 ZINC000611701888 469305625 /nfs/dbraw/zinc/30/56/25/469305625.db2.gz RNBMZDJWGDWEFS-STQMWFEESA-N 1 0 329.404 3.070 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCCC1CC[NH+](C)CC1 ZINC000191322108 534055210 /nfs/dbraw/zinc/05/52/10/534055210.db2.gz HZGUEUBLXFCUMU-UHFFFAOYSA-N 1 0 334.420 3.065 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCN(c2ncccc2F)C1 ZINC000168171888 518189908 /nfs/dbraw/zinc/18/99/08/518189908.db2.gz BXWASHHXQGNYAY-UONOGXRCSA-N 1 0 344.390 3.367 20 5 EGBDRO NC(=O)c1ccc(C[NH2+][C@H]2CCC[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000133457766 534484282 /nfs/dbraw/zinc/48/42/82/534484282.db2.gz DCFWHTILLAAXSZ-IRXDYDNUSA-N 1 0 339.395 3.120 20 5 EGBDRO Cc1cccc(C(C)(C)[NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])c1 ZINC000179584427 534636898 /nfs/dbraw/zinc/63/68/98/534636898.db2.gz YOUSGFXEOPDRLI-UHFFFAOYSA-N 1 0 327.384 3.027 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1CCO ZINC000188011944 534887788 /nfs/dbraw/zinc/88/77/88/534887788.db2.gz HLGFFLRBAAPAJD-AHCXZYCDSA-N 1 0 332.444 3.447 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@H](CO)Cc1ccccc1)C1CC1 ZINC000130385540 534887912 /nfs/dbraw/zinc/88/79/12/534887912.db2.gz FXJCBVHIMMNORG-OALUTQOASA-N 1 0 340.423 3.109 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]Cc1cn2ccccc2n1)C1CC1 ZINC000159402610 534887956 /nfs/dbraw/zinc/88/79/56/534887956.db2.gz AUFOSOPSEUMQJJ-QGZVFWFLSA-N 1 0 336.395 3.353 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@H](O)c1ccsc1)C1CC1 ZINC000154417023 534887693 /nfs/dbraw/zinc/88/76/93/534887693.db2.gz PZAPZUBOZYGVOA-RDJZCZTQSA-N 1 0 332.425 3.301 20 5 EGBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000177645892 527835410 /nfs/dbraw/zinc/83/54/10/527835410.db2.gz JHGXODQYOKYXNV-LBPRGKRZSA-N 1 0 339.823 3.052 20 5 EGBDRO CC(C)c1ccc(C(=O)N(C)CC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000189708180 528059477 /nfs/dbraw/zinc/05/94/77/528059477.db2.gz PPVIIFUBVMCVRN-UHFFFAOYSA-N 1 0 333.432 3.132 20 5 EGBDRO CC[C@@H]1CCCCN1C(=O)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181816683 529269615 /nfs/dbraw/zinc/26/96/15/529269615.db2.gz YTTNGECIOXEZQX-GDBMZVCRSA-N 1 0 333.432 3.345 20 5 EGBDRO CC1(CO)CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000184072464 535162757 /nfs/dbraw/zinc/16/27/57/535162757.db2.gz SIHVGQCGYFBPIA-UHFFFAOYSA-N 1 0 330.384 3.449 20 5 EGBDRO C[NH+](C)Cc1ccccc1CNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000351626162 536047345 /nfs/dbraw/zinc/04/73/45/536047345.db2.gz AYRVXWMXCNMEMO-UHFFFAOYSA-N 1 0 346.362 3.117 20 5 EGBDRO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CCc1ccccc1F ZINC000731669819 575196008 /nfs/dbraw/zinc/19/60/08/575196008.db2.gz OEOBFYINFUGGBX-UHFFFAOYSA-N 1 0 345.374 3.237 20 5 EGBDRO CC[NH+](CC)[C@H](CNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)CC(C)C ZINC000733156148 575311538 /nfs/dbraw/zinc/31/15/38/575311538.db2.gz BFQZWXADYRXYBW-DVESRUBUSA-N 1 0 347.459 3.481 20 5 EGBDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1 ZINC000742422923 576782713 /nfs/dbraw/zinc/78/27/13/576782713.db2.gz BAJDGWDCCRJTRX-MRXNPFEDSA-N 1 0 329.375 3.445 20 5 EGBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](CC3CCCC3)CC2)c2nonc21 ZINC000745170521 576842858 /nfs/dbraw/zinc/84/28/58/576842858.db2.gz RWKPXIIJVSDMRA-UHFFFAOYSA-N 1 0 345.403 3.198 20 5 EGBDRO CC1CC[NH+](CCCNC(=S)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000007027260 1291056393 /nfs/dbraw/zinc/05/63/93/1291056393.db2.gz CMARVAPNZRYWFP-UHFFFAOYSA-N 1 0 336.461 3.003 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cccc4cccnc43)CC2)cc1 ZINC000010519942 1291114930 /nfs/dbraw/zinc/11/49/30/1291114930.db2.gz DHJOXHRIEVCMCD-UHFFFAOYSA-N 1 0 348.406 3.465 20 5 EGBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000075334570 1292389756 /nfs/dbraw/zinc/38/97/56/1292389756.db2.gz QBUPRAFVORPJAF-GFCCVEGCSA-N 1 0 339.823 3.052 20 5 EGBDRO C[NH+](C)C1CCN(c2ccc(Nc3ccc([N+](=O)[O-])nc3)cc2)CC1 ZINC000827866209 1292389719 /nfs/dbraw/zinc/38/97/19/1292389719.db2.gz IEHCJAFHXBDJKN-UHFFFAOYSA-N 1 0 341.415 3.264 20 5 EGBDRO C[C@H]1CCC[C@H]([N@H+](C)Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000075666638 1292405105 /nfs/dbraw/zinc/40/51/05/1292405105.db2.gz GKYOOEWUWMKDEN-BBRMVZONSA-N 1 0 329.404 3.321 20 5 EGBDRO C[C@@H](CNC(=O)OC(C)(C)C)[N@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000093360103 1292918532 /nfs/dbraw/zinc/91/85/32/1292918532.db2.gz UYTQJXOFCUXXSX-PLWJUESGSA-N 1 0 349.431 3.453 20 5 EGBDRO CC(C)(C)[NH2+]CCC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000094188673 1292942201 /nfs/dbraw/zinc/94/22/01/1292942201.db2.gz IINNAMUHJWTNJS-UHFFFAOYSA-N 1 0 344.209 3.074 20 5 EGBDRO CC[N@H+](CCNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C(C)C ZINC000102573193 1292978668 /nfs/dbraw/zinc/97/86/68/1292978668.db2.gz RDJBLMYMOFUPJU-UHFFFAOYSA-N 1 0 328.800 3.100 20 5 EGBDRO C[NH+](C)Cc1cccc(C(=O)OCCc2ccccc2[N+](=O)[O-])c1 ZINC000835226790 1293237324 /nfs/dbraw/zinc/23/73/24/1293237324.db2.gz IADKQPIUWZPDAB-UHFFFAOYSA-N 1 0 328.368 3.056 20 5 EGBDRO Cc1nn(CN2CC[C@@H](OCCC(C)C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000121246690 1293361840 /nfs/dbraw/zinc/36/18/40/1293361840.db2.gz HELGLINWPXBKTP-MRXNPFEDSA-N 1 0 346.431 3.347 20 5 EGBDRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000123202818 1293436740 /nfs/dbraw/zinc/43/67/40/1293436740.db2.gz WRBZXIGJFBHFLK-JKSUJKDBSA-N 1 0 349.431 3.173 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)C[C@@H](O)c1ccco1 ZINC000130566080 1293661223 /nfs/dbraw/zinc/66/12/23/1293661223.db2.gz VKPMFRLJAFGSTP-IUODEOHRSA-N 1 0 334.372 3.188 20 5 EGBDRO C[C@@H](CCNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)[NH+]1CCCCC1 ZINC000133841010 1293755943 /nfs/dbraw/zinc/75/59/43/1293755943.db2.gz HWYOQVIFEBLLOR-LBPRGKRZSA-N 1 0 339.823 3.243 20 5 EGBDRO C[NH+](C)Cc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000152619506 1293976940 /nfs/dbraw/zinc/97/69/40/1293976940.db2.gz ODPUQSXXOPZTNY-UHFFFAOYSA-N 1 0 347.802 3.240 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]CCN(C)C(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000158648716 1294210181 /nfs/dbraw/zinc/21/01/81/1294210181.db2.gz GADQVCUCNBQVBH-ZDUSSCGKSA-N 1 0 337.420 3.421 20 5 EGBDRO CC(=O)c1ccc(N(CC[NH+](C)C)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000161877632 1294300745 /nfs/dbraw/zinc/30/07/45/1294300745.db2.gz IFRUYRYIFMCVDT-UHFFFAOYSA-N 1 0 341.411 3.366 20 5 EGBDRO O=[N+]([O-])c1cn(C[N@@H+]2CC[C@@H](c3ccccc3)C2)nc1-c1ccncc1 ZINC000172898792 1294448396 /nfs/dbraw/zinc/44/83/96/1294448396.db2.gz DRVQBRWYSNBTEN-QGZVFWFLSA-N 1 0 349.394 3.300 20 5 EGBDRO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1cccc([N+](=O)[O-])c1 ZINC000173405100 1294460904 /nfs/dbraw/zinc/46/09/04/1294460904.db2.gz PLHXRYWNVHRLGL-LBPRGKRZSA-N 1 0 331.328 3.233 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](C)NC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000190002709 1295557347 /nfs/dbraw/zinc/55/73/47/1295557347.db2.gz AVRQIYVKBRMYBC-QWHCGFSZSA-N 1 0 337.420 3.467 20 5 EGBDRO Cc1ccc(C[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000237751873 1296263446 /nfs/dbraw/zinc/26/34/46/1296263446.db2.gz XUTSIEYJMWGRDB-OAHLLOKOSA-N 1 0 349.431 3.392 20 5 EGBDRO Cc1c(CNc2cccc(C[N@@H+]3CC[C@H](O)C3)c2)cccc1[N+](=O)[O-] ZINC000873127717 1297283209 /nfs/dbraw/zinc/28/32/09/1297283209.db2.gz UIOCDWXSSJFDQT-SFHVURJKSA-N 1 0 341.411 3.082 20 5 EGBDRO Cc1c(C[NH2+]C[C@H](O)c2cc(F)c(F)c(F)c2)cccc1[N+](=O)[O-] ZINC000873139435 1297293198 /nfs/dbraw/zinc/29/31/98/1297293198.db2.gz BGNGASLBUBPOIQ-HNNXBMFYSA-N 1 0 340.301 3.144 20 5 EGBDRO CC[C@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)[C@@H](O)c1ccccc1 ZINC000873193525 1297337793 /nfs/dbraw/zinc/33/77/93/1297337793.db2.gz LHUZILKUYIAQRY-YJBOKZPZSA-N 1 0 330.384 3.205 20 5 EGBDRO CC(C)(C)C[N@H+](CCO)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000689907849 1298129115 /nfs/dbraw/zinc/12/91/15/1298129115.db2.gz XVURYKYTRLQNHN-UHFFFAOYSA-N 1 0 345.237 3.198 20 5 EGBDRO CC(C)C[N@H+](Cn1cc(Br)c([N+](=O)[O-])n1)C1CCCC1 ZINC000746053599 1298518106 /nfs/dbraw/zinc/51/81/06/1298518106.db2.gz KKKXQXXWHDIUGD-UHFFFAOYSA-N 1 0 345.241 3.412 20 5 EGBDRO C[N@@H+](CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])CC1CCCC1 ZINC000746387476 1298579589 /nfs/dbraw/zinc/57/95/89/1298579589.db2.gz KJVCMWWTLHNGIK-UHFFFAOYSA-N 1 0 325.796 3.309 20 5 EGBDRO O=[N+]([O-])c1cnn(CC[N@H+]2CC=C(c3c[nH]c4ccccc43)CC2)c1 ZINC000746655227 1298633291 /nfs/dbraw/zinc/63/32/91/1298633291.db2.gz NIFDDCPBCXTJKB-UHFFFAOYSA-N 1 0 337.383 3.062 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CCC(OC[C@H]2CCCO2)CC1 ZINC000876650800 1298898523 /nfs/dbraw/zinc/89/85/23/1298898523.db2.gz XSKMDVHUUDOQIF-QGZVFWFLSA-N 1 0 348.443 3.372 20 5 EGBDRO COc1ccc([C@@H](CO)[N@H+](C)Cc2c(C)ccc([N+](=O)[O-])c2C)cc1 ZINC000876737849 1298950394 /nfs/dbraw/zinc/95/03/94/1298950394.db2.gz UNTHMVTYRVHQFY-LJQANCHMSA-N 1 0 344.411 3.386 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000876860170 1299037533 /nfs/dbraw/zinc/03/75/33/1299037533.db2.gz UPJUAXUGNQWDBU-CVEARBPZSA-N 1 0 345.443 3.063 20 5 EGBDRO O=[N+]([O-])c1sc(C[NH2+]CCc2ccncc2)cc1Br ZINC000877090237 1299153580 /nfs/dbraw/zinc/15/35/80/1299153580.db2.gz PNQZJPYKJMICGL-UHFFFAOYSA-N 1 0 342.218 3.146 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CC2(c3ccc(F)cc3)CC2)c1 ZINC000749676173 1299254017 /nfs/dbraw/zinc/25/40/17/1299254017.db2.gz LQFUSNPCYFRMJA-KRWDZBQOSA-N 1 0 330.359 3.089 20 5 EGBDRO CCS[C@H]1CCCC[N@H+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1 ZINC000749954648 1299313904 /nfs/dbraw/zinc/31/39/04/1299313904.db2.gz OELYRGXKINVJJF-AWEZNQCLSA-N 1 0 349.460 3.213 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@H](O)c2cc(F)cc(Cl)c2)cc1 ZINC000877483521 1299333500 /nfs/dbraw/zinc/33/35/00/1299333500.db2.gz WNFNXKJHZUUVFB-INIZCTEOSA-N 1 0 338.766 3.253 20 5 EGBDRO C[C@H]1c2ccc(F)cc2CC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750080129 1299335786 /nfs/dbraw/zinc/33/57/86/1299335786.db2.gz HZFUFRWQWRRACH-KPZWWZAWSA-N 1 0 330.359 3.387 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@@](CO)(c2ccccc2)C1 ZINC000877544788 1299386059 /nfs/dbraw/zinc/38/60/59/1299386059.db2.gz XEOYDJIIJKAMAU-HXUWFJFHSA-N 1 0 340.423 3.348 20 5 EGBDRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000750647010 1299437763 /nfs/dbraw/zinc/43/77/63/1299437763.db2.gz IIKQQRXUVDMFDB-UHFFFAOYSA-N 1 0 342.399 3.320 20 5 EGBDRO CC[C@]1(O)CCCN(Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000877692844 1299484490 /nfs/dbraw/zinc/48/44/90/1299484490.db2.gz WNWKRYBCYXGGHA-AWEZNQCLSA-N 1 0 343.221 3.094 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1nnc(C[NH+](CC2CC2)CC2CC2)o1 ZINC000878249775 1299865558 /nfs/dbraw/zinc/86/55/58/1299865558.db2.gz WBFATEJHNWBDLW-UHFFFAOYSA-N 1 0 328.372 3.267 20 5 EGBDRO O=C(CCCC[NH+]1CCCC1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000756991405 1300606761 /nfs/dbraw/zinc/60/67/61/1300606761.db2.gz QOBKTQBIHNEKAS-UHFFFAOYSA-N 1 0 339.823 3.131 20 5 EGBDRO CC(C)(O)[C@@H]1CCC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000879962756 1300809982 /nfs/dbraw/zinc/80/99/82/1300809982.db2.gz AUBYOBLTPZUNSS-CQSZACIVSA-N 1 0 345.399 3.233 20 5 EGBDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccnc(F)c1[N+](=O)[O-] ZINC000882036471 1301799065 /nfs/dbraw/zinc/79/90/65/1301799065.db2.gz BXMCDRHRFACLQB-OAHLLOKOSA-N 1 0 344.390 3.087 20 5 EGBDRO Cc1cnc(C2CC[NH+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)CC2)s1 ZINC000763965877 1301991016 /nfs/dbraw/zinc/99/10/16/1301991016.db2.gz ZKFBGLQYXNDFAE-INIZCTEOSA-N 1 0 347.440 3.273 20 5 EGBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)[N@@H+]1CCCC[C@H]1C ZINC000764191160 1302027265 /nfs/dbraw/zinc/02/72/65/1302027265.db2.gz DZOGJTYTSARXFH-NEPJUHHUSA-N 1 0 339.823 3.241 20 5 EGBDRO CC(C)[NH+](CCCNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)C(C)C ZINC000768717086 1302965580 /nfs/dbraw/zinc/96/55/80/1302965580.db2.gz RUCNZCJRCPQQCX-UHFFFAOYSA-N 1 0 341.839 3.487 20 5 EGBDRO CN(CC(F)F)C1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000769510000 1303132113 /nfs/dbraw/zinc/13/21/13/1303132113.db2.gz MNWQSFAZTUSNTJ-XQRVVYSFSA-N 1 0 339.386 3.269 20 5 EGBDRO CC(C)C[NH+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000770014162 1303208011 /nfs/dbraw/zinc/20/80/11/1303208011.db2.gz AVUZICKDTUSYRU-UHFFFAOYSA-N 1 0 340.811 3.054 20 5 EGBDRO COc1cccc(C[C@@H]2CCC[N@@H+]2Cc2cccnc2[N+](=O)[O-])c1 ZINC000885960414 1303298523 /nfs/dbraw/zinc/29/85/23/1303298523.db2.gz KZMAHLJKTDNRCE-INIZCTEOSA-N 1 0 327.384 3.206 20 5 EGBDRO O=[N+]([O-])c1ncccc1C[N@H+]1CCCC[C@@H]1[C@@H](O)c1ccccc1 ZINC000886057823 1303340446 /nfs/dbraw/zinc/34/04/46/1303340446.db2.gz XYVQKGVILMPFDW-SJORKVTESA-N 1 0 327.384 3.078 20 5 EGBDRO O=[N+]([O-])c1ncccc1C[NH2+]C1(Cc2ccc(F)cc2)CCOCC1 ZINC000886217495 1303398079 /nfs/dbraw/zinc/39/80/79/1303398079.db2.gz AQEKVVQFBNBUPB-UHFFFAOYSA-N 1 0 345.374 3.010 20 5 EGBDRO CC(C)([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1F ZINC000886898289 1303624653 /nfs/dbraw/zinc/62/46/53/1303624653.db2.gz XMKUVHLKFOVXPU-MRXNPFEDSA-N 1 0 336.338 3.431 20 5 EGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCSC(F)(F)F)n1 ZINC000774133259 1303776482 /nfs/dbraw/zinc/77/64/82/1303776482.db2.gz FCSGHCTUIJLDNE-NXEZZACHSA-N 1 0 338.355 3.118 20 5 EGBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCc2ccc(Cl)nc2)n1 ZINC000774223951 1303788764 /nfs/dbraw/zinc/78/87/64/1303788764.db2.gz LRFSXUHHUJIUHQ-KBPBESRZSA-N 1 0 349.822 3.156 20 5 EGBDRO CCN(CCC[NH+](C)C)C(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C ZINC000888283316 1304099725 /nfs/dbraw/zinc/09/97/25/1304099725.db2.gz NKKBZZNUKMRFPS-UHFFFAOYSA-N 1 0 342.827 3.362 20 5 EGBDRO CCCCO[C@@H]1C[C@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000776155252 1304104033 /nfs/dbraw/zinc/10/40/33/1304104033.db2.gz FCDKIUVOOMMKIX-YESZJQIVSA-N 1 0 336.432 3.202 20 5 EGBDRO Cc1ccc(CCC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000776272141 1304125303 /nfs/dbraw/zinc/12/53/03/1304125303.db2.gz QKCZCCHKMKVIKF-LJQANCHMSA-N 1 0 328.412 3.467 20 5 EGBDRO COc1ccc(C[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000776574032 1304173429 /nfs/dbraw/zinc/17/34/29/1304173429.db2.gz AMYVVBJUKBCGSH-LJQANCHMSA-N 1 0 342.395 3.301 20 5 EGBDRO C[C@H]1c2ccc(F)cc2CC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776583373 1304174793 /nfs/dbraw/zinc/17/47/93/1304174793.db2.gz FAKWYINTAYRMQA-KPZWWZAWSA-N 1 0 330.359 3.387 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CC[C@@H](c3cccc(F)c3)C2)cc1 ZINC000776581641 1304175354 /nfs/dbraw/zinc/17/53/54/1304175354.db2.gz FQKXCCNMNQDTSR-QAPCUYQASA-N 1 0 330.359 3.257 20 5 EGBDRO Cc1cccnc1[C@@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000776592329 1304177605 /nfs/dbraw/zinc/17/76/05/1304177605.db2.gz LCODBRAAZWKSGD-SJORKVTESA-N 1 0 329.400 3.319 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@@H](N2CCCCC2=O)C1 ZINC000778943395 1304511150 /nfs/dbraw/zinc/51/11/50/1304511150.db2.gz CYHYIGLNHVZQSC-DOTOQJQBSA-N 1 0 345.443 3.441 20 5 EGBDRO Cc1ccncc1[C@@H](C)[NH2+]CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000783003447 1305035917 /nfs/dbraw/zinc/03/59/17/1305035917.db2.gz OMROWGBAQGWBBC-LLVKDONJSA-N 1 0 348.790 3.241 20 5 EGBDRO COc1c(O)ccc(CN2CCc3sccc3[C@H]2C)c1[N+](=O)[O-] ZINC000891522304 1305077710 /nfs/dbraw/zinc/07/77/10/1305077710.db2.gz KNEYBLVDCRUYTP-SNVBAGLBSA-N 1 0 334.397 3.490 20 5 EGBDRO COC(=O)[C@H]1CCCC[C@@]1(C)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783585665 1305111322 /nfs/dbraw/zinc/11/13/22/1305111322.db2.gz VIEGUWCTXANPNX-MLGOLLRUSA-N 1 0 340.807 3.460 20 5 EGBDRO C[C@@H]1C[N@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)CC(C)(C)C1 ZINC000784010912 1305174946 /nfs/dbraw/zinc/17/49/46/1305174946.db2.gz VSDKYNMBYAQTPO-ZDUSSCGKSA-N 1 0 329.404 3.179 20 5 EGBDRO C[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CCCCCCC1 ZINC000784144596 1305196525 /nfs/dbraw/zinc/19/65/25/1305196525.db2.gz TVMLHONDNYNARR-MRXNPFEDSA-N 1 0 336.432 3.379 20 5 EGBDRO CC(C)CC1CC[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000784165718 1305200609 /nfs/dbraw/zinc/20/06/09/1305200609.db2.gz UCVQRAVRLIYMNL-MRXNPFEDSA-N 1 0 336.432 3.093 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+]C(C)(C)C1CCOCC1 ZINC000786174252 1305530554 /nfs/dbraw/zinc/53/05/54/1305530554.db2.gz UBDDMHDQQHJEJS-UHFFFAOYSA-N 1 0 349.431 3.027 20 5 EGBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)c1ccc2c[nH+]cn2c1 ZINC000786198873 1305533516 /nfs/dbraw/zinc/53/35/16/1305533516.db2.gz WCBUQFBBQSVEES-UHFFFAOYSA-N 1 0 330.731 3.457 20 5 EGBDRO CCN(CCC[NH+](C)C)C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000787407161 1305741592 /nfs/dbraw/zinc/74/15/92/1305741592.db2.gz SIPRGCJHRVWFOR-UHFFFAOYSA-N 1 0 328.800 3.054 20 5 EGBDRO O=C(CC[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])N1CCCCCC1 ZINC000893333898 1305835696 /nfs/dbraw/zinc/83/56/96/1305835696.db2.gz VAKIWUNYMIKMPM-UHFFFAOYSA-N 1 0 339.823 3.131 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@@H]3CCC4(CCCC4)O3)CC2)cc1 ZINC000788467971 1305950081 /nfs/dbraw/zinc/95/00/81/1305950081.db2.gz BXUYTXLPTNBMPC-SFHVURJKSA-N 1 0 345.443 3.209 20 5 EGBDRO CO[C@H](C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C(F)(F)F ZINC000788597280 1305979020 /nfs/dbraw/zinc/97/90/20/1305979020.db2.gz WFBLPSPYXBHNLH-CHWSQXEVSA-N 1 0 332.322 3.484 20 5 EGBDRO CCOC(=O)N1CC[C@@H]([NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000788599888 1305979220 /nfs/dbraw/zinc/97/92/20/1305979220.db2.gz OEOKIFLLGHEYFN-WBMJQRKESA-N 1 0 347.415 3.138 20 5 EGBDRO Cc1cc(N2CCC([NH2+]Cc3ccc(Cl)cc3[N+](=O)[O-])CC2)n[nH]1 ZINC000893902873 1306122188 /nfs/dbraw/zinc/12/21/88/1306122188.db2.gz ZLFQLOLHLAFHHW-UHFFFAOYSA-N 1 0 349.822 3.038 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC([C@@H](O)c2ncc[nH]2)CC1 ZINC000790080066 1306258771 /nfs/dbraw/zinc/25/87/71/1306258771.db2.gz OJBNDQMTGPCSOY-SUMWQHHRSA-N 1 0 344.415 3.133 20 5 EGBDRO COc1c(O)ccc(C[NH2+][C@H]2Cc3ccc(Cl)cc3C2)c1[N+](=O)[O-] ZINC000894258195 1306306147 /nfs/dbraw/zinc/30/61/47/1306306147.db2.gz LJWUWAAKLFDJES-AWEZNQCLSA-N 1 0 348.786 3.219 20 5 EGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CCc1ccc2c[nH]nc2c1 ZINC000790619647 1306364470 /nfs/dbraw/zinc/36/44/70/1306364470.db2.gz QOHLRCGKMIACMH-UHFFFAOYSA-N 1 0 330.775 3.457 20 5 EGBDRO COc1c(O)ccc(C[NH2+]Cc2ccc(CSC)cc2)c1[N+](=O)[O-] ZINC000894426181 1308874007 /nfs/dbraw/zinc/87/40/07/1308874007.db2.gz GIWNPTWRLYZQIW-UHFFFAOYSA-N 1 0 348.424 3.462 20 5 EGBDRO Cc1nnc([C@H](C)[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])[nH]1 ZINC000894772774 1309061917 /nfs/dbraw/zinc/06/19/17/1309061917.db2.gz BHNYGVYLOBYGOL-NJZAAPMLSA-N 1 0 329.404 3.083 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCCC[NH+]2CCCCCC2)c1C ZINC000895462206 1309350645 /nfs/dbraw/zinc/35/06/45/1309350645.db2.gz UNWKTJOMZBDBBZ-UHFFFAOYSA-N 1 0 333.432 3.208 20 5 EGBDRO C[C@@H](C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])CC1(C)OCCO1 ZINC000895701062 1309475162 /nfs/dbraw/zinc/47/51/62/1309475162.db2.gz HKPCXMRAPMJKQK-LLVKDONJSA-N 1 0 328.796 3.127 20 5 EGBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cn1cnc2cc(F)c(F)cc21 ZINC000795644880 1309797759 /nfs/dbraw/zinc/79/77/59/1309797759.db2.gz PYQQFTNHLOOTIX-UHFFFAOYSA-N 1 0 346.337 3.355 20 5 EGBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC1CCC2(CC1)OCCO2 ZINC000796114569 1309911799 /nfs/dbraw/zinc/91/17/99/1309911799.db2.gz LYQCPTJXHDUITC-UHFFFAOYSA-N 1 0 334.416 3.002 20 5 EGBDRO C[C@@](O)(C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(F)c1 ZINC000896561688 1309916724 /nfs/dbraw/zinc/91/67/24/1309916724.db2.gz PLTRMRFKDYUIQV-MRXNPFEDSA-N 1 0 338.766 3.385 20 5 EGBDRO CC(C)NC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000796705225 1310068854 /nfs/dbraw/zinc/06/88/54/1310068854.db2.gz DMIBDJKZNXHIHC-INIZCTEOSA-N 1 0 335.404 3.084 20 5 EGBDRO CC[N@@H+](Cc1cccc([N+](=O)[O-])c1Br)C[C@@H]1CCOC1 ZINC000839464146 1320925728 /nfs/dbraw/zinc/92/57/28/1320925728.db2.gz CVFAQDABJAQLAC-NSHDSACASA-N 1 0 343.221 3.216 20 5 EGBDRO CC(C)C[N@@H+]1CCC[C@H](CNc2c([N+](=O)[O-])cccc2[N+](=O)[O-])C1 ZINC000804564647 1317259878 /nfs/dbraw/zinc/25/98/78/1317259878.db2.gz YRQGVJFSKRPSKW-CYBMUJFWSA-N 1 0 336.392 3.283 20 5 EGBDRO COCc1cc([N+](=O)[O-])ccc1N1CC([N@H+](C)Cc2ccccc2)C1 ZINC000804812930 1317287368 /nfs/dbraw/zinc/28/73/68/1317287368.db2.gz UFOMCPMNQXWTLA-UHFFFAOYSA-N 1 0 341.411 3.062 20 5 EGBDRO Cc1cc(NC[C@]2(O)CCc3ccccc32)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000808004947 1317611267 /nfs/dbraw/zinc/61/12/67/1317611267.db2.gz GFIQOMNYUBOXMT-HXUWFJFHSA-N 1 0 349.390 3.119 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@](C)(O)c1cccc(F)c1 ZINC000903307493 1317684860 /nfs/dbraw/zinc/68/48/60/1317684860.db2.gz IQPYEVUSWJETKY-XIKOKIGWSA-N 1 0 348.374 3.301 20 5 EGBDRO Cc1c(CON=C(N)C[NH+]2[C@@H](C)CCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000809375406 1317806010 /nfs/dbraw/zinc/80/60/10/1317806010.db2.gz ZLNIGTGYZKPJAK-STQMWFEESA-N 1 0 334.420 3.165 20 5 EGBDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000809911480 1317916788 /nfs/dbraw/zinc/91/67/88/1317916788.db2.gz PKSHFXWIQSPBMF-JTQLQIEISA-N 1 0 328.800 3.098 20 5 EGBDRO CCCN(CC)C[C@@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000810260442 1317988825 /nfs/dbraw/zinc/98/88/25/1317988825.db2.gz CMHGPAJPLAXTJQ-MRXNPFEDSA-N 1 0 348.491 3.274 20 5 EGBDRO C[N@H+](Cc1cn(Cc2ccc(Cl)cc2[N+](=O)[O-])nn1)C(C)(C)C ZINC000905797763 1318000063 /nfs/dbraw/zinc/00/00/63/1318000063.db2.gz JSJQWKPEGJQAME-UHFFFAOYSA-N 1 0 337.811 3.118 20 5 EGBDRO C[C@@H]([NH2+][C@@H](C)C(=O)NCc1ccccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000905851709 1318006658 /nfs/dbraw/zinc/00/66/58/1318006658.db2.gz BFGHFNFUPVXOBA-OLZOCXBDSA-N 1 0 345.374 3.089 20 5 EGBDRO C[C@@H]([NH2+][C@@H](C)C(=O)NCc1cccs1)c1ccc([N+](=O)[O-])cc1 ZINC000905855054 1318008421 /nfs/dbraw/zinc/00/84/21/1318008421.db2.gz ZNJVTSNTVZUOJU-NEPJUHHUSA-N 1 0 333.413 3.012 20 5 EGBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)C1CCC=CCC1 ZINC001021063893 1318064456 /nfs/dbraw/zinc/06/44/56/1318064456.db2.gz RALKDYRTWRBOKL-QAQDUYKDSA-N 1 0 343.427 3.078 20 5 EGBDRO COc1c(C(=O)Nc2ccc(C[NH+](C)C)cc2C)cccc1[N+](=O)[O-] ZINC000909606631 1318500441 /nfs/dbraw/zinc/50/04/41/1318500441.db2.gz YOSJWDWRWDNDIJ-UHFFFAOYSA-N 1 0 343.383 3.226 20 5 EGBDRO Cc1cc(C[NH+](C)C)ccc1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000909625878 1318504813 /nfs/dbraw/zinc/50/48/13/1318504813.db2.gz MWWQFRDOWKRMOM-UHFFFAOYSA-N 1 0 327.384 3.146 20 5 EGBDRO O=C(CC1CCCCC1)N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001021809226 1318693337 /nfs/dbraw/zinc/69/33/37/1318693337.db2.gz IBBCLCVIUYTRJA-CALCHBBNSA-N 1 0 345.443 3.302 20 5 EGBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)C(F)=C1CCCC1 ZINC001021963795 1318752235 /nfs/dbraw/zinc/75/22/35/1318752235.db2.gz IAFZZALGCRBWGM-GASCZTMLSA-N 1 0 347.390 3.129 20 5 EGBDRO C[C@H]([NH3+])c1ccc(NC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000911845415 1318772105 /nfs/dbraw/zinc/77/21/05/1318772105.db2.gz KGRVXBKOXWAWPS-JECHBYEQSA-N 1 0 325.368 3.357 20 5 EGBDRO Cc1cc(C(=O)N2CCCC[C@@H]2[C@@H](C)C[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000912812790 1318938905 /nfs/dbraw/zinc/93/89/05/1318938905.db2.gz AYHJMXHZDZYZAX-WMLDXEAASA-N 1 0 333.432 3.096 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC[C@H]1[C@H](C)C[NH+](C)C ZINC000912812081 1318939025 /nfs/dbraw/zinc/93/90/25/1318939025.db2.gz RHVYBEOLTYNEQX-PBHICJAKSA-N 1 0 333.432 3.096 20 5 EGBDRO O=C(OCCC[NH+]1CCCC1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000815512153 1319008637 /nfs/dbraw/zinc/00/86/37/1319008637.db2.gz KDGCHLHTRXCDEG-UHFFFAOYSA-N 1 0 346.305 3.256 20 5 EGBDRO C[C@H]([NH2+]C[C@@H](Cc1ccccc1)N(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815553238 1319014987 /nfs/dbraw/zinc/01/49/87/1319014987.db2.gz VEPVUZQDGSAGST-WMLDXEAASA-N 1 0 342.443 3.001 20 5 EGBDRO CCC(=O)Nc1cccc(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000815560846 1319015767 /nfs/dbraw/zinc/01/57/67/1319015767.db2.gz RQXDFBUMQIQNNG-LBPRGKRZSA-N 1 0 342.399 3.376 20 5 EGBDRO Cc1ccc([C@@H](C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)N(C)C)cc1 ZINC000815570610 1319018107 /nfs/dbraw/zinc/01/81/07/1319018107.db2.gz IEXJMUWMUYGZTJ-IFXJQAMLSA-N 1 0 342.443 3.439 20 5 EGBDRO COc1cccc(O[C@@H](C)C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000815584066 1319020923 /nfs/dbraw/zinc/02/09/23/1319020923.db2.gz UWDDNQBJQRSFHH-QWHCGFSZSA-N 1 0 345.399 3.304 20 5 EGBDRO CCN(CC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1cccc(C)c1 ZINC000818941408 1319581936 /nfs/dbraw/zinc/58/19/36/1319581936.db2.gz UWAQSCSMSIQATJ-IBGZPJMESA-N 1 0 343.427 3.053 20 5 EGBDRO Cc1ccc(OCCCC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000818961113 1319592379 /nfs/dbraw/zinc/59/23/79/1319592379.db2.gz LWVLVDZVFCBWJZ-LJQANCHMSA-N 1 0 344.411 3.385 20 5 EGBDRO COc1ccc(C(C)(C)C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000818985894 1319605978 /nfs/dbraw/zinc/60/59/78/1319605978.db2.gz ZINFTEXBLZGRCN-SFHVURJKSA-N 1 0 344.411 3.204 20 5 EGBDRO CC(C)c1nc(CC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cs1 ZINC000819002252 1319611526 /nfs/dbraw/zinc/61/15/26/1319611526.db2.gz IUYNIKGQACVHKW-OAHLLOKOSA-N 1 0 335.429 3.040 20 5 EGBDRO Cc1csc(CCCC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000819007467 1319612564 /nfs/dbraw/zinc/61/25/64/1319612564.db2.gz YHAJVILEZYIGIY-HNNXBMFYSA-N 1 0 335.429 3.006 20 5 EGBDRO CCC(CC)[C@H](CNC[C@H](O)c1ccc([N+](=O)[O-])cc1)[NH+]1CCCC1 ZINC000819062559 1319624826 /nfs/dbraw/zinc/62/48/26/1319624826.db2.gz RMEUUCLEGGDRJG-OALUTQOASA-N 1 0 349.475 3.118 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CC2(Cc3ccccc3)CC2)c1 ZINC000819179389 1319658798 /nfs/dbraw/zinc/65/87/98/1319658798.db2.gz AFZWGOVZIWANCL-SFHVURJKSA-N 1 0 326.396 3.241 20 5 EGBDRO CO[C@H](c1ccc(F)cc1)[C@@H](C)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819204402 1319666568 /nfs/dbraw/zinc/66/65/68/1319666568.db2.gz SOBMBLDIDAELNZ-UUWFMWQGSA-N 1 0 348.374 3.133 20 5 EGBDRO CCC(CC)[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000819214457 1319671022 /nfs/dbraw/zinc/67/10/22/1319671022.db2.gz ROZNKAKHVUHPAP-JQHSSLGASA-N 1 0 336.432 3.202 20 5 EGBDRO COCCC1(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000819242642 1319679302 /nfs/dbraw/zinc/67/93/02/1319679302.db2.gz MCTRKCGUSWEVJH-KRWDZBQOSA-N 1 0 336.432 3.205 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2C[C@H]2c2ccc(Cl)cc2)cc1 ZINC000819281711 1319687619 /nfs/dbraw/zinc/68/76/19/1319687619.db2.gz MJYQOSDGRUTTNE-GVDBMIGSSA-N 1 0 332.787 3.427 20 5 EGBDRO C[C@H](CCOCc1ccccc1)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819314279 1319694445 /nfs/dbraw/zinc/69/44/45/1319694445.db2.gz WNJYJSQKAGYLRP-BEFAXECRSA-N 1 0 344.411 3.213 20 5 EGBDRO CCCC[N@H+](CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)[C@H](C)CC ZINC000917437835 1319811168 /nfs/dbraw/zinc/81/11/68/1319811168.db2.gz MMSXNIPMZHPPNY-GFCCVEGCSA-N 1 0 333.388 3.049 20 5 EGBDRO C[C@@H]1CCC[C@@H]([N@H+](C)Cn2cc(Br)c([N+](=O)[O-])n2)C1 ZINC000917615771 1319851351 /nfs/dbraw/zinc/85/13/51/1319851351.db2.gz UAESYPDRBXHANS-NXEZZACHSA-N 1 0 331.214 3.022 20 5 EGBDRO CC[N@H+](CCNC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl)C(C)C ZINC000825688797 1320355032 /nfs/dbraw/zinc/35/50/32/1320355032.db2.gz WXKXEDYGAMZAPS-UHFFFAOYSA-N 1 0 327.812 3.017 20 5 EGBDRO CCCN(CC[NH+]1CCCC1)C(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000861669675 1329435462 /nfs/dbraw/zinc/43/54/62/1329435462.db2.gz AMLAKYHJKGYFCV-UHFFFAOYSA-N 1 0 339.823 3.196 20 5 EGBDRO Cc1cc(Cl)c(C(=O)NC[C@@H](CC(C)C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000827489527 1320457217 /nfs/dbraw/zinc/45/72/17/1320457217.db2.gz SBJJHQWZNBIAHL-GFCCVEGCSA-N 1 0 341.839 3.263 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C(=O)N(C)CCC[NH+]2CCCC2)cc1Cl ZINC000836785510 1320534118 /nfs/dbraw/zinc/53/41/18/1320534118.db2.gz PQTDPBVMIYJEGC-UHFFFAOYSA-N 1 0 339.823 3.115 20 5 EGBDRO C[C@@H](Cc1cccc(F)c1)[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000839195955 1320892000 /nfs/dbraw/zinc/89/20/00/1320892000.db2.gz PVTFGADVLVPOPS-UGSOOPFHSA-N 1 0 332.375 3.330 20 5 EGBDRO CC[C@@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839581834 1320941207 /nfs/dbraw/zinc/94/12/07/1320941207.db2.gz UWLAVWGPDYKTHU-PWSUYJOCSA-N 1 0 325.796 3.355 20 5 EGBDRO Cc1nn(C[N@H+](C)CCc2ccccc2C)c2ncc([N+](=O)[O-])cc12 ZINC000840101392 1321028521 /nfs/dbraw/zinc/02/85/21/1321028521.db2.gz NCGAQROFOGVVOU-UHFFFAOYSA-N 1 0 339.399 3.088 20 5 EGBDRO CC(C)[C@@H]([NH3+])CCN(C)Cc1c(Br)cccc1[N+](=O)[O-] ZINC000843055934 1321463374 /nfs/dbraw/zinc/46/33/74/1321463374.db2.gz ARDXZZWXGMGPBV-ZDUSSCGKSA-N 1 0 344.253 3.163 20 5 EGBDRO COCC[N@H+]1[C@H](C)CN(C/C(C)=C\c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000843425925 1321516125 /nfs/dbraw/zinc/51/61/25/1321516125.db2.gz KCINCKWWJCFMAS-ANYHLBQASA-N 1 0 347.459 3.039 20 5 EGBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000843803746 1321549275 /nfs/dbraw/zinc/54/92/75/1321549275.db2.gz BZDYSXTWTHYYCL-UHFFFAOYSA-N 1 0 349.406 3.133 20 5 EGBDRO C[C@H](C(=O)OC[C@H]1CC[N@@H+]1C(C)(C)C)c1ccc([N+](=O)[O-])cc1F ZINC000845730103 1321737442 /nfs/dbraw/zinc/73/74/42/1321737442.db2.gz GEJITUWACWJSND-WCQYABFASA-N 1 0 338.379 3.253 20 5 EGBDRO CC(C)(C)[N@@H+]1CC[C@@H]1COC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000845728560 1321737472 /nfs/dbraw/zinc/73/74/72/1321737472.db2.gz JMACBTPIOXJSRT-CYBMUJFWSA-N 1 0 334.416 3.288 20 5 EGBDRO CSc1ccc([N+](=O)[O-])c(C(=O)OC[C@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC000845739658 1321740103 /nfs/dbraw/zinc/74/01/03/1321740103.db2.gz UWPDUYIMGWMFQW-LLVKDONJSA-N 1 0 338.429 3.346 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC([NH2+]C2CCC2)CC1 ZINC000930865136 1328991425 /nfs/dbraw/zinc/99/14/25/1328991425.db2.gz XJVFCINICNSBPI-UHFFFAOYSA-N 1 0 346.431 3.350 20 5 EGBDRO CC(C)(C)OC(=O)NC(C)(C)C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000848530855 1321970203 /nfs/dbraw/zinc/97/02/03/1321970203.db2.gz HMXSTJFMMJSCTF-CQSZACIVSA-N 1 0 349.431 3.475 20 5 EGBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000848536920 1321971703 /nfs/dbraw/zinc/97/17/03/1321971703.db2.gz WQMPKRYZYWYPRM-INIZCTEOSA-N 1 0 327.340 3.323 20 5 EGBDRO CCc1ccc([C@@H](O)C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000848548516 1321974235 /nfs/dbraw/zinc/97/42/35/1321974235.db2.gz HJMGVSHGUOHBOY-MJGOQNOKSA-N 1 0 326.396 3.468 20 5 EGBDRO C[C@H]1CCC[C@@](CNc2nc3ccccn3c2[N+](=O)[O-])([NH+](C)C)C1 ZINC000918735685 1321987054 /nfs/dbraw/zinc/98/70/54/1321987054.db2.gz NFEXCALNSWVHOA-SUMWQHHRSA-N 1 0 331.420 3.165 20 5 EGBDRO COc1ccc(CNC(=[NH2+])N[C@@H](C)CCCC(C)C)cc1[N+](=O)[O-] ZINC000849065691 1322064380 /nfs/dbraw/zinc/06/43/80/1322064380.db2.gz SJGPAPJPCVBLRQ-ZDUSSCGKSA-N 1 0 336.436 3.432 20 5 EGBDRO C[NH+](C)[C@@H](CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000920461213 1322181216 /nfs/dbraw/zinc/18/12/16/1322181216.db2.gz UGWDTRRDFIZUEU-HGZMWJMZSA-N 1 0 345.443 3.235 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC000850424520 1322245399 /nfs/dbraw/zinc/24/53/99/1322245399.db2.gz JSKIQWDWVQDPAM-BZNIZROVSA-N 1 0 334.347 3.127 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@](C)(O)c1ccccc1 ZINC000850436166 1322249889 /nfs/dbraw/zinc/24/98/89/1322249889.db2.gz SSBOISINMDMLHH-FZKQIMNGSA-N 1 0 330.384 3.162 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@]1(O)CCc2ccccc21 ZINC000850449242 1322251569 /nfs/dbraw/zinc/25/15/69/1322251569.db2.gz XSPKQGMGSUIZPQ-ORAYPTAESA-N 1 0 342.395 3.088 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1CNC1CC[NH+](CCC(C)C)CC1 ZINC000924955512 1323227618 /nfs/dbraw/zinc/22/76/18/1323227618.db2.gz RUSNCGXOOCEGGA-UHFFFAOYSA-N 1 0 335.448 3.204 20 5 EGBDRO C[C@H](CN(C)Cc1ccc([N+](=O)[O-])cc1F)NC(=O)OC(C)(C)C ZINC000860093824 1329144051 /nfs/dbraw/zinc/14/40/51/1329144051.db2.gz ILZILUHIWLSALC-LLVKDONJSA-N 1 0 341.383 3.079 20 5 EGBDRO COc1cc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c([N+](=O)[O-])cc1C ZINC000853454932 1325095742 /nfs/dbraw/zinc/09/57/42/1325095742.db2.gz MHTMDBNBSYHWIF-GDBMZVCRSA-N 1 0 345.443 3.365 20 5 EGBDRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000855162127 1325358734 /nfs/dbraw/zinc/35/87/34/1325358734.db2.gz VGUXEQXKCZDNLJ-LLVKDONJSA-N 1 0 339.823 3.098 20 5 EGBDRO O=[N+]([O-])c1c(Br)cccc1N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000856728656 1325514890 /nfs/dbraw/zinc/51/48/90/1325514890.db2.gz XZAKKEWWGUNCKO-LLVKDONJSA-N 1 0 340.221 3.032 20 5 EGBDRO C[C@@H]([NH2+]Cc1ccc2c(c1)C[C@@H](C)O2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000926918678 1327776763 /nfs/dbraw/zinc/77/67/63/1327776763.db2.gz JBXJLUDXSNVLNH-VXGBXAGGSA-N 1 0 327.384 3.351 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000929119856 1328510827 /nfs/dbraw/zinc/51/08/27/1328510827.db2.gz SJYPRLLQNVNKJI-HNNXBMFYSA-N 1 0 346.431 3.099 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCC[N@@H+](C)C2)cc1Cl ZINC000862796410 1329510319 /nfs/dbraw/zinc/51/03/19/1329510319.db2.gz QZHADUPUWAXTTQ-LBPRGKRZSA-N 1 0 339.823 3.018 20 5 EGBDRO C[N@H+](CCCNc1cc(F)c([N+](=O)[O-])cc1CO)Cc1ccccc1 ZINC000865415935 1329694187 /nfs/dbraw/zinc/69/41/87/1329694187.db2.gz SHLATRWVLPSPLM-UHFFFAOYSA-N 1 0 347.390 3.160 20 5 EGBDRO CC[N@H+](C)Cc1cccc(CNc2cc(F)c([N+](=O)[O-])cc2CO)c1 ZINC000865461165 1329700493 /nfs/dbraw/zinc/70/04/93/1329700493.db2.gz XSWUQFMFVBEIGJ-UHFFFAOYSA-N 1 0 347.390 3.290 20 5 EGBDRO C[N@@H+]1CCC[C@]2(CCN(c3ccc([N+](=O)[O-])cc3C(F)F)C2)C1 ZINC000865832659 1329743157 /nfs/dbraw/zinc/74/31/57/1329743157.db2.gz MXGHDAWXHWKIED-INIZCTEOSA-N 1 0 325.359 3.455 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000932237708 1329798950 /nfs/dbraw/zinc/79/89/50/1329798950.db2.gz IIKVDFSSAYFPNC-CQSZACIVSA-N 1 0 349.456 3.017 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](Cc1ccoc1)C1CC1 ZINC000934005534 1329939805 /nfs/dbraw/zinc/93/98/05/1329939805.db2.gz XYLSGFWQQQVYEN-UHFFFAOYSA-N 1 0 343.383 3.489 20 5 EGBDRO COc1cccc(C[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])c1OC ZINC000866237257 1330082832 /nfs/dbraw/zinc/08/28/32/1330082832.db2.gz HAGGVWRTTRSHOU-LBPRGKRZSA-N 1 0 348.374 3.472 20 5 EGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1COc2ccccc21 ZINC000866358909 1330101938 /nfs/dbraw/zinc/10/19/38/1330101938.db2.gz MCFWMKJBHGLVBD-GXTWGEPZSA-N 1 0 330.359 3.431 20 5 EGBDRO O=C(N[C@H]1CC[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CC1)c1ccco1 ZINC001034581087 1342627452 /nfs/dbraw/zinc/62/74/52/1342627452.db2.gz QGFIPKIARJITQX-SHTZXODSSA-N 1 0 343.383 3.019 20 5 EGBDRO CC1(NC(=O)C2=CCCC2)CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001045405791 1346585588 /nfs/dbraw/zinc/58/55/88/1346585588.db2.gz CVSPGOGFFZBLNF-UHFFFAOYSA-N 1 0 343.427 3.176 20 5 EGBDRO CC1(NC(=O)C2=CCCC2)CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001045406089 1346586252 /nfs/dbraw/zinc/58/62/52/1346586252.db2.gz PUPCAVGVWARMMG-UHFFFAOYSA-N 1 0 343.427 3.176 20 5 EGBDRO CC(C)(C)C(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001050386375 1348246794 /nfs/dbraw/zinc/24/67/94/1348246794.db2.gz HGHIWQHTDZPURT-KOMQPUFPSA-N 1 0 347.459 3.406 20 5 EGBDRO CC(C)(C)C(=O)N1CC2(C1)CC[NH+](Cc1ccccc1[N+](=O)[O-])CC2 ZINC001050736429 1348342278 /nfs/dbraw/zinc/34/22/78/1348342278.db2.gz FTYGREUBDWEHRE-UHFFFAOYSA-N 1 0 345.443 3.065 20 5 EGBDRO CSc1ccc(-c2nc([C@@H]3C[NH+]4CCC3CC4)no2)cc1[N+](=O)[O-] ZINC001323916383 1387495974 /nfs/dbraw/zinc/49/59/74/1387495974.db2.gz XWDSGESTXRDCHV-GFCCVEGCSA-N 1 0 346.412 3.176 20 5 EGBDRO CC(C)n1ncc2c1[C@@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CCC2 ZINC001325844157 1388054919 /nfs/dbraw/zinc/05/49/19/1388054919.db2.gz OOYOFHFXZYRHKY-DLBZAZTESA-N 1 0 344.415 3.073 20 5 EGBDRO C[NH+]1CCN(Cc2cccc(Nc3cccc([N+](=O)[O-])c3)c2)CC1 ZINC001204469037 1370485177 /nfs/dbraw/zinc/48/51/77/1370485177.db2.gz ORDHBMGTCZTBTH-UHFFFAOYSA-N 1 0 326.400 3.086 20 5 EGBDRO O=C(c1ccccc1)N1CCC[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001116449125 1370914132 /nfs/dbraw/zinc/91/41/32/1370914132.db2.gz LBTFTPXNNXUIHV-HNNXBMFYSA-N 1 0 345.424 3.051 20 5 EGBDRO CCC[N@@H+]1CC[C@H](CNc2ncnc3c(Cl)cc([N+](=O)[O-])cc23)C1 ZINC001117589378 1371054232 /nfs/dbraw/zinc/05/42/32/1371054232.db2.gz FZKPZMGLWOLNKR-LLVKDONJSA-N 1 0 349.822 3.335 20 5 EGBDRO C/C=C(\C)C(=O)NC1CC2(C1)CC([NH2+]Cc1cccc([N+](=O)[O-])c1)C2 ZINC001120907082 1371802845 /nfs/dbraw/zinc/80/28/45/1371802845.db2.gz FWRPNJJJVSYZPH-QLKAYGNNSA-N 1 0 343.427 3.078 20 5 EGBDRO C[NH+]1CCN(c2ccc(Nc3ccc(F)cc3[N+](=O)[O-])cc2)CC1 ZINC001210956308 1372460702 /nfs/dbraw/zinc/46/07/02/1372460702.db2.gz WHQDRZSXHOVRBL-UHFFFAOYSA-N 1 0 330.363 3.229 20 5 EGBDRO O=[N+]([O-])c1cc(Nc2ccc(CC[NH+]3CCOCC3)cc2)ccc1F ZINC001211193486 1372497538 /nfs/dbraw/zinc/49/75/38/1372497538.db2.gz YNHZBLLYLGQPTO-UHFFFAOYSA-N 1 0 345.374 3.352 20 5 EGBDRO C[NH+]1CCN(Cc2ccccc2Nc2ccc(F)c([N+](=O)[O-])c2)CC1 ZINC001211192580 1372497855 /nfs/dbraw/zinc/49/78/55/1372497855.db2.gz CVRBJBSTXSTUPK-UHFFFAOYSA-N 1 0 344.390 3.225 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1Nc1ccccc1CN1CC[NH+](C)CC1 ZINC001211289525 1372521924 /nfs/dbraw/zinc/52/19/24/1372521924.db2.gz QFKHABORHTUURI-UHFFFAOYSA-N 1 0 340.427 3.394 20 5 EGBDRO [NH3+]CC1CC(c2nc(-c3ccc4ccc5cccnc5c4n3)no2)C1 ZINC001211449755 1372560956 /nfs/dbraw/zinc/56/09/56/1372560956.db2.gz NJEWDUMYWUDUOE-UHFFFAOYSA-N 1 0 331.379 3.285 20 5 EGBDRO Cc1cc(Br)c(O[C@H]2CCC[NH2+]C[C@H]2F)cc1[N+](=O)[O-] ZINC001217946356 1373515245 /nfs/dbraw/zinc/51/52/45/1373515245.db2.gz HCICYJFTIGSHKL-PWSUYJOCSA-N 1 0 347.184 3.135 20 5 EGBDRO O=c1c2ccccc2oc2cc(O[C@@H]3CCC[NH2+]C[C@@H]3F)ccc12 ZINC001217946764 1373515656 /nfs/dbraw/zinc/51/56/56/1373515656.db2.gz GQHPYHRHNDDPPI-DOTOQJQBSA-N 1 0 327.355 3.415 20 5 EGBDRO C[C@H]1C[NH2+]CCC[C@@H]1Oc1c(F)cc([N+](=O)[O-])cc1Br ZINC001217992600 1373529569 /nfs/dbraw/zinc/52/95/69/1373529569.db2.gz SFYJHEDTEDMQKY-UFBFGSQYSA-N 1 0 347.184 3.263 20 5 EGBDRO C[C@@H](Oc1ccc(OC(F)(F)F)cc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC001218002358 1373531389 /nfs/dbraw/zinc/53/13/89/1373531389.db2.gz FRZLQNNEAPIYDX-SECBINFHSA-N 1 0 334.294 3.260 20 5 EGBDRO C[C@@H]1CC[NH2+]CC[C@@H]1Oc1cc(Br)ccc1[N+](=O)[O-] ZINC001218025030 1373541032 /nfs/dbraw/zinc/54/10/32/1373541032.db2.gz COMXVFYCSPBDPQ-SKDRFNHKSA-N 1 0 329.194 3.124 20 5 EGBDRO C[C@@H]1CC[NH2+]CC[C@H]1Oc1cc([N+](=O)[O-])cc(F)c1Br ZINC001218031418 1373543174 /nfs/dbraw/zinc/54/31/74/1373543174.db2.gz OAIQTKFLIDYJHF-LDYMZIIASA-N 1 0 347.184 3.263 20 5 EGBDRO C[C@@H]1CC[NH2+]CC[C@@H]1Oc1c(Br)cc(F)cc1[N+](=O)[O-] ZINC001218031907 1373543429 /nfs/dbraw/zinc/54/34/29/1373543429.db2.gz VAGXOXJBZUEKHV-PELKAZGASA-N 1 0 347.184 3.263 20 5 EGBDRO C[C@H]1CC[NH2+]CC[C@H]1Oc1cnc2ccc(=O)n3c4ccccc4c1c23 ZINC001218035615 1373543863 /nfs/dbraw/zinc/54/38/63/1373543863.db2.gz ZRLURIPNWMVSJU-SUMWQHHRSA-N 1 0 347.418 3.206 20 5 EGBDRO O=[N+]([O-])c1cc(O[C@@H]2CCC[C@@]23CC[NH2+]C3)ccc1Br ZINC001218091346 1373558390 /nfs/dbraw/zinc/55/83/90/1373558390.db2.gz DICHCVUUTXWUAZ-KGLIPLIRSA-N 1 0 341.205 3.268 20 5 EGBDRO Cc1cc(Br)cc([N+](=O)[O-])c1O[C@@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001218185616 1373574166 /nfs/dbraw/zinc/57/41/66/1373574166.db2.gz GQJITCXLTHTFLN-ZSBIGDGJSA-N 1 0 341.205 3.328 20 5 EGBDRO O=[N+]([O-])c1ccc(O[C@H]2CC[NH2+]C3(CCC3)C2)cc1Br ZINC001218309459 1373593004 /nfs/dbraw/zinc/59/30/04/1373593004.db2.gz RJPBUTVSXHQUCD-NSHDSACASA-N 1 0 341.205 3.411 20 5 EGBDRO C[C@H]1CC[C@H](Oc2c([N+](=O)[O-])cc(C(C)(C)C)cc2[N+](=O)[O-])C[NH2+]1 ZINC001218397420 1373606522 /nfs/dbraw/zinc/60/65/22/1373606522.db2.gz DMYVIYMNUAIOPE-JQWIXIFHSA-N 1 0 337.376 3.320 20 5 EGBDRO CC1(C)C[C@H](Oc2cnc3ccc(=O)n4c5ccccc5c2c34)CC[NH2+]1 ZINC001218479208 1373622109 /nfs/dbraw/zinc/62/21/09/1373622109.db2.gz SRBJNSSRNULCND-CYBMUJFWSA-N 1 0 347.418 3.348 20 5 EGBDRO O=[N+]([O-])c1ncccc1O[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC001225630845 1375135974 /nfs/dbraw/zinc/13/59/74/1375135974.db2.gz AJZVKHOTLVFPJS-IXDOHACOSA-N 1 0 339.395 3.279 20 5 EGBDRO Cc1cc(O[C@@H]2CCC[N@@H+]([C@@H](C)c3ccccn3)C2)ncc1[N+](=O)[O-] ZINC001225658864 1375139626 /nfs/dbraw/zinc/13/96/26/1375139626.db2.gz LZNDTEBHQHKZDF-LSDHHAIUSA-N 1 0 342.399 3.298 20 5 EGBDRO O=[N+]([O-])c1c(F)cccc1OC[C@H]1CN(Cc2ccccc2)CCO1 ZINC001225667076 1375140656 /nfs/dbraw/zinc/14/06/56/1375140656.db2.gz NZZGWDWZRQKVPL-OAHLLOKOSA-N 1 0 346.358 3.014 20 5 EGBDRO CCN1CCC[C@@H](Oc2cc([N+](=O)[O-])c(F)cc2Br)C1 ZINC001225754506 1375152827 /nfs/dbraw/zinc/15/28/27/1375152827.db2.gz YXEZBHUUNMDBOE-SECBINFHSA-N 1 0 347.184 3.360 20 5 EGBDRO C[C@H](c1ccccn1)[N@@H+]1CC[C@@H](Oc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC001225917073 1375175677 /nfs/dbraw/zinc/17/56/77/1375175677.db2.gz YZHYNPDJHCDYNT-TZMCWYRMSA-N 1 0 331.347 3.343 20 5 EGBDRO O=[N+]([O-])c1cnc(O[C@H]2CC[N@H+](Cc3ccccc3)C2)c(Cl)c1 ZINC001226251625 1375227437 /nfs/dbraw/zinc/22/74/37/1375227437.db2.gz CAXPTNRDOOTLKH-AWEZNQCLSA-N 1 0 333.775 3.297 20 5 EGBDRO C[N@@H+]1CCC[C@@H](Oc2cc([N+](=O)[O-])ccc2Br)CC1 ZINC001226583591 1375286209 /nfs/dbraw/zinc/28/62/09/1375286209.db2.gz ZXQGTYYQLYTEDN-LLVKDONJSA-N 1 0 329.194 3.220 20 5 EGBDRO C[C@H](c1ccccn1)[N@@H+]1CC[C@@H](Oc2cc(Cl)c([N+](=O)[O-])cn2)C1 ZINC001226916047 1375356386 /nfs/dbraw/zinc/35/63/86/1375356386.db2.gz WYAYRVCFSDLGPH-VXGBXAGGSA-N 1 0 348.790 3.253 20 5 EGBDRO CN1[C@@H]2C[C@@H](Oc3cc(Cl)c(Cl)cc3[N+](=O)[O-])[C@H]1CC(=O)C2 ZINC001227130356 1375394877 /nfs/dbraw/zinc/39/48/77/1375394877.db2.gz QNKTYJDOJYFEOP-HOCOFYGGSA-N 1 0 345.182 3.085 20 5 EGBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Oc1cncc([N+](=O)[O-])c1 ZINC001227990026 1375499681 /nfs/dbraw/zinc/49/96/81/1375499681.db2.gz DNXYYJJELAEPNC-KDOFPFPSSA-N 1 0 327.384 3.279 20 5 EGBDRO COCCC[NH+]1CCC(Oc2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC001228258439 1375535481 /nfs/dbraw/zinc/53/54/81/1375535481.db2.gz YFAWIOOKHQMAQV-UHFFFAOYSA-N 1 0 328.796 3.128 20 5 EGBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc2c(n1)CN(Cc1ccccc1)CC2 ZINC001229056263 1375752104 /nfs/dbraw/zinc/75/21/04/1375752104.db2.gz LNONREIMJSZDCO-KRWDZBQOSA-N 1 0 340.491 3.113 20 5 EGBDRO Cc1cc(O)c(O[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC001229750190 1375886164 /nfs/dbraw/zinc/88/61/64/1375886164.db2.gz LAYNNLZGXVEOEN-OAHLLOKOSA-N 1 0 328.368 3.262 20 5 EGBDRO Cc1ccc(I)cc1O[C@H](C)C[N+](C)(C)C ZINC001234248211 1376792184 /nfs/dbraw/zinc/79/21/84/1376792184.db2.gz BQAHLPPMGYFKQK-LLVKDONJSA-N 1 0 334.221 3.073 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCCCC2)cc1O[C@H]1C[NH+]2CCC1CC2 ZINC001234367508 1376821007 /nfs/dbraw/zinc/82/10/07/1376821007.db2.gz HGGJJKSGGPPFDU-SFHVURJKSA-N 1 0 331.416 3.058 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)c2ncnc(NC[C@H]3CC[N@@H+](C4CC4)C3)c2c1 ZINC001327641936 1388571425 /nfs/dbraw/zinc/57/14/25/1388571425.db2.gz VBFLCWRHGQEAPT-SNVBAGLBSA-N 1 0 347.806 3.088 20 5 EGBDRO CC[C@H]1CC[C@H](C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001148500930 1379193581 /nfs/dbraw/zinc/19/35/81/1379193581.db2.gz ASOQINKKZWZXBA-KOMQPUFPSA-N 1 0 333.432 3.017 20 5 EGBDRO [NH3+][C@H]1CCC[C@H](Nc2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)nn2)C1 ZINC001154990255 1380386319 /nfs/dbraw/zinc/38/63/19/1380386319.db2.gz ZGQFMHWTVWXNFW-RYUDHWBXSA-N 1 0 347.806 3.387 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(-n2cncc2C[NH2+]Cc2ccccc2)n1 ZINC001156496608 1380584132 /nfs/dbraw/zinc/58/41/32/1380584132.db2.gz OVGCMOQTDMIAEU-UHFFFAOYSA-N 1 0 337.383 3.082 20 5 EGBDRO O=[N+]([O-])c1ccc2ccnc(N3CCCC[C@]34CCC[NH2+]C4)c2c1 ZINC001157472954 1380926209 /nfs/dbraw/zinc/92/62/09/1380926209.db2.gz NPWAVIPEAZCHPS-GOSISDBHSA-N 1 0 326.400 3.256 20 5 EGBDRO CC(C)(CC(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001157533259 1380959091 /nfs/dbraw/zinc/95/90/91/1380959091.db2.gz TZTBKJNEUIXKIL-UHFFFAOYSA-N 1 0 333.432 3.017 20 5 EGBDRO CCOc1nc(N[C@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)ccc1[N+](=O)[O-] ZINC001158267271 1381178277 /nfs/dbraw/zinc/17/82/77/1381178277.db2.gz WATADDZEQUTKSR-SJCJKPOMSA-N 1 0 336.436 3.344 20 5 EGBDRO C[C@]1(C[NH3+])CCCN(c2cc3ccc(Cl)nc3cc2[N+](=O)[O-])C1 ZINC001158684786 1381352642 /nfs/dbraw/zinc/35/26/42/1381352642.db2.gz UKBSMEFOMMQWRZ-MRXNPFEDSA-N 1 0 334.807 3.362 20 5 EGBDRO Cc1c(C)c(N2CCC3(CC2)[NH2+]Cc2ccccc23)ncc1[N+](=O)[O-] ZINC001159032255 1381526026 /nfs/dbraw/zinc/52/60/26/1381526026.db2.gz WETRSYPLZDJCJA-UHFFFAOYSA-N 1 0 338.411 3.206 20 5 EGBDRO O=[N+]([O-])c1ccc(F)c(Nc2ccc(N3CC[NH2+]CC3)cc2)c1F ZINC001159455267 1381798528 /nfs/dbraw/zinc/79/85/28/1381798528.db2.gz NTLNVBDSPOLKSH-UHFFFAOYSA-N 1 0 334.326 3.026 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1Nc1ccc(O[C@H]2CCC[NH2+]C2)cc1 ZINC001159949105 1381947126 /nfs/dbraw/zinc/94/71/26/1381947126.db2.gz LGJYLGZJPTVGEX-INIZCTEOSA-N 1 0 343.383 3.478 20 5 EGBDRO COc1ccc(Nc2ccc(O[C@H]3CCC[NH2+]C3)cc2)c([N+](=O)[O-])c1 ZINC001159954560 1381949270 /nfs/dbraw/zinc/94/92/70/1381949270.db2.gz WFXYLDHPWPSMAO-INIZCTEOSA-N 1 0 343.383 3.478 20 5 EGBDRO C[C@@H](C[NH3+])CN(Cc1ccccc1)c1cc(Cl)ncc1[N+](=O)[O-] ZINC001160661742 1382164058 /nfs/dbraw/zinc/16/40/58/1382164058.db2.gz JMGBRJYXWLEFNO-LBPRGKRZSA-N 1 0 334.807 3.245 20 5 EGBDRO C[C@@H](C[NH3+])CN(Cc1ccccc1)c1cc(Cl)cc([N+](=O)[O-])n1 ZINC001160662399 1382164063 /nfs/dbraw/zinc/16/40/63/1382164063.db2.gz QPDWRTWIYSKUCZ-LBPRGKRZSA-N 1 0 334.807 3.245 20 5 EGBDRO CC[C@@H](C)C1CCC(Nc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)CC1 ZINC001160669058 1382165598 /nfs/dbraw/zinc/16/55/98/1382165598.db2.gz PUUQBCUWRLAPJU-LKSINWNRSA-N 1 0 333.436 3.088 20 5 EGBDRO CN(Cc1c2ccccc2cc2ccccc21)C(=O)C[C@H]1COCC[NH2+]1 ZINC001160737263 1382182297 /nfs/dbraw/zinc/18/22/97/1382182297.db2.gz CVJWJWCVCATROL-SFHVURJKSA-N 1 0 348.446 3.330 20 5 EGBDRO COc1cccc2c1c(C[NH3+])cn2-c1ncc([N+](=O)[O-])cc1Cl ZINC001160759214 1382188320 /nfs/dbraw/zinc/18/83/20/1382188320.db2.gz FGYUDZXAHNLJNO-UHFFFAOYSA-N 1 0 332.747 3.054 20 5 EGBDRO [NH3+]CCc1cccc(Nc2ccc(-c3ccccc3[N+](=O)[O-])nn2)c1 ZINC001161076666 1382290984 /nfs/dbraw/zinc/29/09/84/1382290984.db2.gz GLCSGHUVAHFOOF-UHFFFAOYSA-N 1 0 335.367 3.297 20 5 EGBDRO [NH3+]CCN(c1ccc(F)cc1)c1nc2ccccc2cc1[N+](=O)[O-] ZINC001161881003 1382538761 /nfs/dbraw/zinc/53/87/61/1382538761.db2.gz RUOLOCSZWWKMLF-UHFFFAOYSA-N 1 0 326.331 3.379 20 5 EGBDRO C[N@@H+]1CCC[C@](C)(Nc2cc3ncnc(Cl)c3cc2[N+](=O)[O-])C1 ZINC001162342233 1382734817 /nfs/dbraw/zinc/73/48/17/1382734817.db2.gz SDDPFCLJTAFXBU-HNNXBMFYSA-N 1 0 335.795 3.088 20 5 EGBDRO Cc1cc(N[C@@H]2CCC[C@H]([NH3+])C2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001162393911 1382746938 /nfs/dbraw/zinc/74/69/38/1382746938.db2.gz NEAOGSDGASWTNP-UONOGXRCSA-N 1 0 327.388 3.042 20 5 EGBDRO C[C@H]1C[NH2+]CCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC001162455475 1382761998 /nfs/dbraw/zinc/76/19/98/1382761998.db2.gz DEYHZPPXIGMYOV-VHSXEESVSA-N 1 0 332.326 3.056 20 5 EGBDRO [NH3+]Cc1cccc(-c2cncn2-c2ccc3cccc([N+](=O)[O-])c3n2)c1 ZINC001162563634 1382791158 /nfs/dbraw/zinc/79/11/58/1382791158.db2.gz POVCBZOIBRCJOA-UHFFFAOYSA-N 1 0 345.362 3.454 20 5 EGBDRO O=[N+]([O-])c1ccc(Cl)c(NCC[C@@H]2C[NH2+]Cc3cccn3C2)c1 ZINC001163060996 1382958139 /nfs/dbraw/zinc/95/81/39/1382958139.db2.gz QFJIKAWRXIYSDF-GFCCVEGCSA-N 1 0 334.807 3.271 20 5 EGBDRO O=[N+]([O-])c1cc2cc[nH]c2c(NCC[C@@H]2C[NH2+]Cc3cccn3C2)c1 ZINC001163060420 1382958529 /nfs/dbraw/zinc/95/85/29/1382958529.db2.gz MELLSTHMKZKMKX-CYBMUJFWSA-N 1 0 339.399 3.099 20 5 EGBDRO O=[N+]([O-])c1ccc2c(ccnc2NC[C@@H]2Cc3ccccc3C[NH2+]2)c1 ZINC001163276298 1383011447 /nfs/dbraw/zinc/01/14/47/1383011447.db2.gz SEQLQSXSVXYAKD-INIZCTEOSA-N 1 0 334.379 3.269 20 5 EGBDRO c1cnc2c(c1)cc(NC[C@@H]1CO[C@@]3(C1)CCC[NH2+]C3)c1cccnc12 ZINC001163284119 1383012945 /nfs/dbraw/zinc/01/29/45/1383012945.db2.gz KJASGEFKNQCOIF-QVKFZJNVSA-N 1 0 348.450 3.354 20 5 EGBDRO Cc1cc(Cl)c(NC[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)c([N+](=O)[O-])c1 ZINC001163290260 1383013494 /nfs/dbraw/zinc/01/34/94/1383013494.db2.gz YSRNYJCNRIPRSQ-BLLLJJGKSA-N 1 0 339.823 3.127 20 5 EGBDRO Cc1cc(Cl)c([N+](=O)[O-])c(NC2CCC(C[NH+](C)C)CC2)n1 ZINC001163298511 1383015359 /nfs/dbraw/zinc/01/53/59/1383015359.db2.gz DOLAJLYCHRINTF-UHFFFAOYSA-N 1 0 326.828 3.484 20 5 EGBDRO COc1cccc([C@H](C[NH3+])Nc2nc3ccccc3cc2[N+](=O)[O-])c1 ZINC001163310299 1383018364 /nfs/dbraw/zinc/01/83/64/1383018364.db2.gz WERTUVWYICLUCP-INIZCTEOSA-N 1 0 338.367 3.264 20 5 EGBDRO CC(C)(C(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-])C1CCC1 ZINC001163430056 1383050320 /nfs/dbraw/zinc/05/03/20/1383050320.db2.gz LOZUSHXAGADJLA-UHFFFAOYSA-N 1 0 333.432 3.017 20 5 EGBDRO CC(C)(C)CC(=O)NCCC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001163446872 1383052784 /nfs/dbraw/zinc/05/27/84/1383052784.db2.gz FWZRQGYNVMXOSC-UHFFFAOYSA-N 1 0 347.459 3.407 20 5 EGBDRO [NH3+]Cc1cc2cc(Cl)ccc2n1-c1cccc2ncc([N+](=O)[O-])n21 ZINC001163903483 1383134427 /nfs/dbraw/zinc/13/44/27/1383134427.db2.gz WDDMNDLBZBXVLG-UHFFFAOYSA-N 1 0 341.758 3.299 20 5 EGBDRO COC(=O)c1cc(NCc2cccc(C[NH+](C)C)c2)cc([N+](=O)[O-])c1 ZINC001163999280 1383144811 /nfs/dbraw/zinc/14/48/11/1383144811.db2.gz UHMFBMFEEFELBM-UHFFFAOYSA-N 1 0 343.383 3.055 20 5 EGBDRO Cc1c(NCCC[N@H+]2CCCC[C@@H]2C)ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001167752348 1383730663 /nfs/dbraw/zinc/73/06/63/1383730663.db2.gz FKEAGVDQGQMLKS-LBPRGKRZSA-N 1 0 336.392 3.488 20 5 EGBDRO [NH3+]CCc1cn(-c2ccc3cnccc3c2[N+](=O)[O-])c2ccc(O)cc12 ZINC001167986568 1383788452 /nfs/dbraw/zinc/78/84/52/1383788452.db2.gz ZHEFQXNYRANQTL-UHFFFAOYSA-N 1 0 348.362 3.294 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2cc(F)ccc2OC(F)(F)F)C1 ZINC001168960152 1384071982 /nfs/dbraw/zinc/07/19/82/1384071982.db2.gz ZVTMPRORCGXFMM-BXKDBHETSA-N 1 0 336.285 3.259 20 5 EGBDRO CC(C)(C)OC(=O)c1ccc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001168964432 1384072791 /nfs/dbraw/zinc/07/27/91/1384072791.db2.gz SINYNSZWZDOFQQ-ZBFHGGJFSA-N 1 0 334.416 3.177 20 5 EGBDRO COc1cccc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)c1C(F)(F)F ZINC001168978953 1384077531 /nfs/dbraw/zinc/07/75/31/1384077531.db2.gz VVSZFPRGDAVILB-PWSUYJOCSA-N 1 0 332.322 3.249 20 5 EGBDRO O=C(C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccc(F)c(C(F)(F)F)c1 ZINC001168988897 1384080298 /nfs/dbraw/zinc/08/02/98/1384080298.db2.gz UVAIQKDVSCDPEB-ONGXEEELSA-N 1 0 348.296 3.062 20 5 EGBDRO [NH3+][C@@H]1CCc2c3cc(F)ccc3n([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)c2C1 ZINC001168997109 1384083117 /nfs/dbraw/zinc/08/31/17/1384083117.db2.gz XTORCCPRJPKRAT-MRVWCRGKSA-N 1 0 331.391 3.214 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCc3cc(Br)ccc3C2)C1 ZINC001169010271 1384088351 /nfs/dbraw/zinc/08/83/51/1384088351.db2.gz CBNKNSZJWPOCHV-IAQYHMDHSA-N 1 0 339.233 3.253 20 5 EGBDRO C[C@@H]1C[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)[C@@H](C)CN1Cc1ccccc1 ZINC001169010151 1384088412 /nfs/dbraw/zinc/08/84/12/1384088412.db2.gz YXIDELSPCXKCLP-KCITZHQASA-N 1 0 331.460 3.027 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCC(Oc3ccc(F)cc3F)CC2)C1 ZINC001169030314 1384094059 /nfs/dbraw/zinc/09/40/59/1384094059.db2.gz YPBDFXNKOSAKMH-TZMCWYRMSA-N 1 0 340.370 3.253 20 5 EGBDRO COc1ccccc1OCC1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169042155 1384098075 /nfs/dbraw/zinc/09/80/75/1384098075.db2.gz DEPWRQJJBBDIQD-SJORKVTESA-N 1 0 348.443 3.231 20 5 EGBDRO CC1(C)C[C@H](Nc2ccc3c([N+](=O)[O-])c[nH]c3n2)C[C@](C)(C[NH3+])C1 ZINC001169138597 1384112373 /nfs/dbraw/zinc/11/23/73/1384112373.db2.gz QYQMGVSPGAHOSI-GTNSWQLSSA-N 1 0 331.420 3.427 20 5 EGBDRO CC1(C)C[C@H](Nc2cccc3ncc([N+](=O)[O-])n32)C[C@](C)(C[NH3+])C1 ZINC001169148619 1384115195 /nfs/dbraw/zinc/11/51/95/1384115195.db2.gz YNEWIXQWYFWRDI-SJCJKPOMSA-N 1 0 331.420 3.198 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+][C@H](CCO)c2ccccc2)c([N+](=O)[O-])c1 ZINC001170295241 1384284358 /nfs/dbraw/zinc/28/43/58/1384284358.db2.gz BUTTUVPSWPTHRJ-KBXCAEBGSA-N 1 0 344.411 3.248 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+]CCCc2ncccc2C)c([N+](=O)[O-])c1 ZINC001170298747 1384285072 /nfs/dbraw/zinc/28/50/72/1384285072.db2.gz NNVJKBOOPXIFCP-OAHLLOKOSA-N 1 0 343.427 3.460 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2c(C)cc(C)[nH]c2=O)c([N+](=O)[O-])c1 ZINC001170298932 1384285258 /nfs/dbraw/zinc/28/52/58/1384285258.db2.gz OLRDVCWNPYKZDN-GFCCVEGCSA-N 1 0 345.399 3.042 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+]Cc2nc3ccccc3o2)c([N+](=O)[O-])c1 ZINC001170300399 1384285951 /nfs/dbraw/zinc/28/59/51/1384285951.db2.gz ZTBOBOFQCMNNBK-LBPRGKRZSA-N 1 0 341.367 3.465 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+]C2(c3ccccc3)COC2)c([N+](=O)[O-])c1 ZINC001170307217 1384287125 /nfs/dbraw/zinc/28/71/25/1384287125.db2.gz FOEJUWBAGISBQW-CQSZACIVSA-N 1 0 342.395 3.050 20 5 EGBDRO COc1ccc(C[C@@H](C)N(C(N)=[NH2+])c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC001170306769 1384287145 /nfs/dbraw/zinc/28/71/45/1384287145.db2.gz BRFCIFKYWDHDRG-LLVKDONJSA-N 1 0 346.362 3.074 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)N3C)c([N+](=O)[O-])c1 ZINC001170305547 1384287341 /nfs/dbraw/zinc/28/73/41/1384287341.db2.gz MZDPOUMGLHRHJA-LLLHUVSDSA-N 1 0 347.459 3.139 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+]CC(=O)c2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC001170312612 1384288609 /nfs/dbraw/zinc/28/86/09/1384288609.db2.gz GFQVPFVPSQKLLH-AWEZNQCLSA-N 1 0 342.395 3.315 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+][C@@H](C)Cc2ccc(O)cc2)c([N+](=O)[O-])c1 ZINC001170319638 1384289794 /nfs/dbraw/zinc/28/97/94/1384289794.db2.gz XUCRYEBXFIHDQM-KBPBESRZSA-N 1 0 344.411 3.461 20 5 EGBDRO CCCc1cc(C[NH3+])nn1[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170318621 1384290035 /nfs/dbraw/zinc/29/00/35/1384290035.db2.gz QGYFNNVEJWWMKW-LBPRGKRZSA-N 1 0 332.404 3.015 20 5 EGBDRO COc1ccc(C[C@H](C)[NH+]2CCC3(CCOC3)CC2)c([N+](=O)[O-])c1 ZINC001170330078 1384292963 /nfs/dbraw/zinc/29/29/63/1384292963.db2.gz YENOLXNBGYYGTR-AWEZNQCLSA-N 1 0 334.416 3.037 20 5 EGBDRO COc1ccc(C[C@H](C)[N@@H+]2CCC[C@@](C)(O)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC001170334304 1384293857 /nfs/dbraw/zinc/29/38/57/1384293857.db2.gz BYNRYZMIPRCGMB-QWQRMKEZSA-N 1 0 336.432 3.017 20 5 EGBDRO COc1ccc(C[C@@H](C)n2ccnc2[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001170353093 1384299176 /nfs/dbraw/zinc/29/91/76/1384299176.db2.gz VQRRDNRIVBPPLI-UKRRQHHQSA-N 1 0 344.415 3.071 20 5 EGBDRO CC(C)CC(C)(C)C(=O)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001170545423 1384339384 /nfs/dbraw/zinc/33/93/84/1384339384.db2.gz BVBZKRTWGCHMOL-UHFFFAOYSA-N 1 0 341.477 3.325 20 5 EGBDRO CC[C@]([NH3+])(CO)Nc1cnc2c3ccccc3c3ccccc3c2n1 ZINC001170860998 1384400413 /nfs/dbraw/zinc/40/04/13/1384400413.db2.gz ZRSLXTSKWCVHPY-HXUWFJFHSA-N 1 0 332.407 3.405 20 5 EGBDRO [NH3+][C@@H]1CCc2c3ccccc3n(-c3c(Cl)cncc3[N+](=O)[O-])c2C1 ZINC001171094156 1384444462 /nfs/dbraw/zinc/44/44/62/1384444462.db2.gz NIDYJAXXHMQELU-SNVBAGLBSA-N 1 0 342.786 3.403 20 5 EGBDRO [NH3+][C@@H]1CCc2c3ccccc3n(-c3nc(Cl)ccc3[N+](=O)[O-])c2C1 ZINC001171094602 1384444606 /nfs/dbraw/zinc/44/46/06/1384444606.db2.gz PVLFPPNEFAJQOF-SNVBAGLBSA-N 1 0 342.786 3.403 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(OC(C)C)cc1-n1cc2ccc(C[NH3+])cc2n1 ZINC001171328241 1384495709 /nfs/dbraw/zinc/49/57/09/1384495709.db2.gz QOHYHLMBQNBMFO-UHFFFAOYSA-N 1 0 340.383 3.488 20 5 EGBDRO COc1cccc(CC[NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)n1 ZINC001172896664 1384873993 /nfs/dbraw/zinc/87/39/93/1384873993.db2.gz QOCTYGKFMIZSKP-INIZCTEOSA-N 1 0 341.411 3.078 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]Cc1cccc(CO)c1)CC2 ZINC001172900986 1384874329 /nfs/dbraw/zinc/87/43/29/1384874329.db2.gz IHZRAOXCPHJYJC-GOSISDBHSA-N 1 0 326.396 3.124 20 5 EGBDRO Cc1cc(C[N@H+](C)[C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)n(C)n1 ZINC001172916502 1384877391 /nfs/dbraw/zinc/87/73/91/1384877391.db2.gz SMJGANNYIVWWNE-INIZCTEOSA-N 1 0 328.416 3.016 20 5 EGBDRO COC(=O)C[C@@H]1CCC[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172919627 1384879399 /nfs/dbraw/zinc/87/93/99/1384879399.db2.gz GWZAGGANNHDHIW-WMLDXEAASA-N 1 0 346.427 3.117 20 5 EGBDRO CC1CC(C[NH2+]C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C1 ZINC001173006367 1384897212 /nfs/dbraw/zinc/89/72/12/1384897212.db2.gz SJJNDAYWCBKMTG-UHFFFAOYSA-N 1 0 339.386 3.478 20 5 EGBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH2+]CC3(F)CCC3)CC2)c(F)c1 ZINC001173009119 1384897665 /nfs/dbraw/zinc/89/76/65/1384897665.db2.gz RJBDLXISEQUTGM-UHFFFAOYSA-N 1 0 343.349 3.324 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+](C)Cc2ccncc2)c1F ZINC001173178897 1384931758 /nfs/dbraw/zinc/93/17/58/1384931758.db2.gz BYZQXDQYZSRPLN-GFCCVEGCSA-N 1 0 333.363 3.201 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]Cc2csc(C)n2)c1F ZINC001173175870 1384931831 /nfs/dbraw/zinc/93/18/31/1384931831.db2.gz UIWYLEBVKKLTGH-SECBINFHSA-N 1 0 339.392 3.228 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@H](C)c2cscn2)c1F ZINC001173179157 1384932039 /nfs/dbraw/zinc/93/20/39/1384932039.db2.gz NRTZYACNFWOEEY-NXEZZACHSA-N 1 0 339.392 3.481 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N(C(C)C)C(C)(C)C[NH3+])c1F ZINC001173182581 1384932318 /nfs/dbraw/zinc/93/23/18/1384932318.db2.gz HNSJKJAZMZZWHB-GFCCVEGCSA-N 1 0 341.427 3.121 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)Nc2cccc(CC[NH3+])c2)c1F ZINC001173183264 1384932496 /nfs/dbraw/zinc/93/24/96/1384932496.db2.gz XEKABWWCFTUGLU-GFCCVEGCSA-N 1 0 347.390 3.287 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+](C)Cc2ccccn2)c1F ZINC001173184424 1384932636 /nfs/dbraw/zinc/93/26/36/1384932636.db2.gz MXOAWKDOVWIKMI-LBPRGKRZSA-N 1 0 333.363 3.201 20 5 EGBDRO COCC[N@H+](C(C)C)[C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173189568 1384933473 /nfs/dbraw/zinc/93/34/73/1384933473.db2.gz KYKVYQLZDCBNIK-LBPRGKRZSA-N 1 0 328.384 3.030 20 5 EGBDRO CCCOCCC[NH2+][C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173188572 1384933658 /nfs/dbraw/zinc/93/36/58/1384933658.db2.gz KVVLPIPCCSCVNT-GFCCVEGCSA-N 1 0 328.384 3.080 20 5 EGBDRO COc1cc(C[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)cc(OC)c1O ZINC001173221621 1384938562 /nfs/dbraw/zinc/93/85/62/1384938562.db2.gz OCUGHXGRGYDWHH-GFCCVEGCSA-N 1 0 346.383 3.038 20 5 EGBDRO CC[C@H]1[N@@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CCC[C@]12CCC(=O)N2 ZINC001173223878 1384939094 /nfs/dbraw/zinc/93/90/94/1384939094.db2.gz IIQZUBLANLOIIB-YJLNNSPDSA-N 1 0 345.443 3.049 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cn(CC(F)(F)F)cn1 ZINC001173223729 1384939301 /nfs/dbraw/zinc/93/93/01/1384939301.db2.gz LHHQPMZATMKODR-LLVKDONJSA-N 1 0 342.321 3.074 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1COc2ccccc2C1 ZINC001173226799 1384939926 /nfs/dbraw/zinc/93/99/26/1384939926.db2.gz ZZQDPPVOCWCAIP-HOCLYGCPSA-N 1 0 326.396 3.367 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccnn1CC(F)(F)F ZINC001173226174 1384940168 /nfs/dbraw/zinc/94/01/68/1384940168.db2.gz VQXPJIHTZYCYQM-NSHDSACASA-N 1 0 342.321 3.074 20 5 EGBDRO CCOC(=O)C[N@H+]([C@@H](C)Cc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC001173230802 1384940689 /nfs/dbraw/zinc/94/06/89/1384940689.db2.gz GOJSHDZVLSWLHU-AWEZNQCLSA-N 1 0 334.416 3.334 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC1(c2ccc(F)cn2)CC1 ZINC001173230072 1384940879 /nfs/dbraw/zinc/94/08/79/1384940879.db2.gz QHUMCEAPFMSQLI-CYBMUJFWSA-N 1 0 329.375 3.381 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCc2ccccc2[C@@H]1O ZINC001173234097 1384941173 /nfs/dbraw/zinc/94/11/73/1384941173.db2.gz MMMCOKUCSJYIPR-ZNOIYHFQSA-N 1 0 326.396 3.164 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCc2ccccc2NC1=O ZINC001173233571 1384941227 /nfs/dbraw/zinc/94/12/27/1384941227.db2.gz JPALLEJYLCPWJT-FZKQIMNGSA-N 1 0 339.395 3.069 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N(c1ccccn1)C1CC[NH2+]CC1 ZINC001173233660 1384941619 /nfs/dbraw/zinc/94/16/19/1384941619.db2.gz XSTHBTRCNMELAC-OAHLLOKOSA-N 1 0 340.427 3.179 20 5 EGBDRO Cc1nnc([C@@H]2CCC[N@@H+]([C@@H](C)Cc3ccc([N+](=O)[O-])cc3)C2)o1 ZINC001173233856 1384941693 /nfs/dbraw/zinc/94/16/93/1384941693.db2.gz ZZRWVZXMWFWFHM-SWLSCSKDSA-N 1 0 330.388 3.097 20 5 EGBDRO CCOC(=O)[C@H]1CC[C@@H]([NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173236173 1384942315 /nfs/dbraw/zinc/94/23/15/1384942315.db2.gz YNIYZBBLDQIDJS-CWRNSKLLSA-N 1 0 334.416 3.237 20 5 EGBDRO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2-c1cn(C)nc1C ZINC001174336195 1385100373 /nfs/dbraw/zinc/10/03/73/1385100373.db2.gz JSDSNLFMEYYJDJ-UHFFFAOYSA-N 1 0 347.422 3.286 20 5 EGBDRO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001318406294 1385675503 /nfs/dbraw/zinc/67/55/03/1385675503.db2.gz GBYZHURRHHCAMG-QWHCGFSZSA-N 1 0 340.811 3.243 20 5 EGBDRO CC(C)(F)C(=O)NCCCCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001177742214 1386031671 /nfs/dbraw/zinc/03/16/71/1386031671.db2.gz FBHAXLCTXURNEU-UHFFFAOYSA-N 1 0 339.411 3.109 20 5 EGBDRO CC(C)CC(=O)NCCCCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001177784739 1386043758 /nfs/dbraw/zinc/04/37/58/1386043758.db2.gz XACAISHASZKNMB-UHFFFAOYSA-N 1 0 341.477 3.469 20 5 EGBDRO O=C(NCCCCCC[NH2+]Cc1ccccc1[N+](=O)[O-])C1CC=CC1 ZINC001178089493 1386126329 /nfs/dbraw/zinc/12/63/29/1386126329.db2.gz QSAIYKILTMMFFB-UHFFFAOYSA-N 1 0 345.443 3.327 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H]1CCCC[C@H]1[NH+](C)C ZINC001320998339 1386779603 /nfs/dbraw/zinc/77/96/03/1386779603.db2.gz BLNAHEUGGXNQOC-DZGCQCFKSA-N 1 0 334.420 3.206 20 5 EGBDRO CS[C@@H]1CC[C@@H]([N@H+](C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC001322156233 1387080224 /nfs/dbraw/zinc/08/02/24/1387080224.db2.gz AWUYHEPZOCJTFT-ZIAGYGMSSA-N 1 0 348.428 3.361 20 5 EGBDRO COc1ccc(OCC[N@@H+]2CC[C@H]3CCCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001322157730 1387081167 /nfs/dbraw/zinc/08/11/67/1387081167.db2.gz NTWIHBPDAZSFIV-HUUCEWRRSA-N 1 0 334.416 3.494 20 5 EGBDRO C[NH+]1CCC(C)(C(=O)Nc2cc3cccnc3c3ncccc23)CC1 ZINC001181988183 1387088188 /nfs/dbraw/zinc/08/81/88/1387088188.db2.gz VQGHHVOJNSEOGY-UHFFFAOYSA-N 1 0 334.423 3.453 20 5 EGBDRO C[C@]1(CO)CCC[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001331043873 1389607819 /nfs/dbraw/zinc/60/78/19/1389607819.db2.gz XVRNLRIHKSQPJL-AWEZNQCLSA-N 1 0 332.322 3.208 20 5 EGBDRO C[C@H]1CN(c2cc[nH+]cc2)CCN1c1ccnc2c1cccc2[N+](=O)[O-] ZINC001331653696 1389849137 /nfs/dbraw/zinc/84/91/37/1389849137.db2.gz TUWGPQNJSDKISN-AWEZNQCLSA-N 1 0 349.394 3.253 20 5 EGBDRO COc1cc([N+](=O)[O-])cnc1N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001339660430 1390100696 /nfs/dbraw/zinc/10/06/96/1390100696.db2.gz MVNMOQDVQMIMID-STQMWFEESA-N 1 0 334.420 3.063 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)c1C ZINC001332393659 1390104298 /nfs/dbraw/zinc/10/42/98/1390104298.db2.gz NKJBJPLNBZEXND-INIZCTEOSA-N 1 0 345.443 3.160 20 5 EGBDRO CO[C@H]1CC[C@@H]([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC001333001518 1390234522 /nfs/dbraw/zinc/23/45/22/1390234522.db2.gz WELQSDKWFDDVGN-SFYZADRCSA-N 1 0 335.223 3.076 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)c2ncnc(N[C@H]3CC[NH2+]C4(CCC4)C3)c2c1 ZINC001333893464 1390431744 /nfs/dbraw/zinc/43/17/44/1390431744.db2.gz PYYWIJCFRZHZDR-JTQLQIEISA-N 1 0 347.806 3.278 20 5 EGBDRO CCCC[NH+]1CCC(NC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)CC1 ZINC001334075827 1390473161 /nfs/dbraw/zinc/47/31/61/1390473161.db2.gz GPUSVZYYBKQHNJ-UHFFFAOYSA-N 1 0 338.383 3.120 20 5 EGBDRO COc1c(O)ccc(C[NH2+]C[C@H](C)c2ccc(F)cc2)c1[N+](=O)[O-] ZINC001334951366 1390625382 /nfs/dbraw/zinc/62/53/82/1390625382.db2.gz JVBBWNAAIABUEO-NSHDSACASA-N 1 0 334.347 3.341 20 5 EGBDRO Cc1cc(NC(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)cc([N+](=O)[O-])c1 ZINC001344876621 1390821000 /nfs/dbraw/zinc/82/10/00/1390821000.db2.gz YKWYYKNMULTRSU-OAHLLOKOSA-N 1 0 346.431 3.099 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)O[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC001345924753 1390893964 /nfs/dbraw/zinc/89/39/64/1390893964.db2.gz OGDHSAXACLJSNS-AAEUAGOBSA-N 1 0 336.413 3.100 20 5 EGBDRO CCC[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC001347413483 1391071505 /nfs/dbraw/zinc/07/15/05/1391071505.db2.gz NQAXTXAKKMCYSS-CQSZACIVSA-N 1 0 328.372 3.185 20 5 EGBDRO C[N@@H+]1CCCC[C@H](CNc2ncnc3c(Cl)cc([N+](=O)[O-])cc23)C1 ZINC001351365790 1391632255 /nfs/dbraw/zinc/63/22/55/1391632255.db2.gz YJVROGFDKMVACM-LLVKDONJSA-N 1 0 349.822 3.335 20 5 EGBDRO COc1c(O)ccc(C[NH2+]C(C)(C)c2ccc(F)cc2)c1[N+](=O)[O-] ZINC001352045372 1391750871 /nfs/dbraw/zinc/75/08/71/1391750871.db2.gz HDKZJZQBKYJGPT-UHFFFAOYSA-N 1 0 334.347 3.473 20 5 EGBDRO Cc1ccc(C(=O)NCC[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)cc1C ZINC001753073166 1440289738 /nfs/dbraw/zinc/28/97/38/1440289738.db2.gz LPVXSCJLZXNVKV-UHFFFAOYSA-N 1 0 341.411 3.073 20 5 EGBDRO CC(C(=O)NC/C=C\C[NH2+]Cc1ccccc1[N+](=O)[O-])=C1CCCC1 ZINC001754106644 1440541733 /nfs/dbraw/zinc/54/17/33/1440541733.db2.gz BAPKPCGPDNEVOU-SREVYHEPSA-N 1 0 343.427 3.247 20 5 EGBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1cc2ccc(Cl)nc2cc1[N+](=O)[O-] ZINC001164634540 719254293 /nfs/dbraw/zinc/25/42/93/719254293.db2.gz MTJRFTWDEOBXLZ-WDEREUQCSA-N 1 0 334.807 3.325 20 5 EGBDRO O=[N+]([O-])c1cccc2ccc(N3CC[NH+](C4CCCC4)CC3)nc21 ZINC001165028807 721855965 /nfs/dbraw/zinc/85/59/65/721855965.db2.gz QJIBDIYODRVBFA-UHFFFAOYSA-N 1 0 326.400 3.208 20 5 EGBDRO O=[N+]([O-])c1c(Cl)ccnc1N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001165048285 721965278 /nfs/dbraw/zinc/96/52/78/721965278.db2.gz YEPMPMGPICILGA-CYBMUJFWSA-N 1 0 338.839 3.488 20 5 EGBDRO COc1cccc(C[NH+]2CCC(Nc3ncccc3[N+](=O)[O-])CC2)c1 ZINC000052486536 214129364 /nfs/dbraw/zinc/12/93/64/214129364.db2.gz WLQNCBNIZMRGHC-UHFFFAOYSA-N 1 0 342.399 3.075 20 5 EGBDRO CSc1cccc(C(=O)N2CCCC23CC[NH+](C)CC3)c1[N+](=O)[O-] ZINC000373583000 295680107 /nfs/dbraw/zinc/68/01/07/295680107.db2.gz MFFZUYZXLAJFAZ-UHFFFAOYSA-N 1 0 349.456 3.017 20 5 EGBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](C[C@H](O)c3ccccc3)CC2)cc1 ZINC000174802323 231314481 /nfs/dbraw/zinc/31/44/81/231314481.db2.gz PZNRKPMKXZSMAX-IBGZPJMESA-N 1 0 342.395 3.172 20 5 EGBDRO CC[C@H]([NH2+]CCS(=O)(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000154146805 529604757 /nfs/dbraw/zinc/60/47/57/529604757.db2.gz WNQBBEYVTHGJDL-KRWDZBQOSA-N 1 0 348.424 3.109 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000126050649 222644699 /nfs/dbraw/zinc/64/46/99/222644699.db2.gz NFGFEYRTUBWZQF-CYBMUJFWSA-N 1 0 330.384 3.333 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH+]3CCC4(CC3)OCCO4)o2)c1 ZINC000126109937 222654197 /nfs/dbraw/zinc/65/41/97/222654197.db2.gz AZQVGIRONIJLPM-UHFFFAOYSA-N 1 0 344.367 3.194 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2nccs2)cc1[N+](=O)[O-] ZINC000178685999 232379516 /nfs/dbraw/zinc/37/95/16/232379516.db2.gz KXDKGWSBVIRFLT-WDEREUQCSA-N 1 0 334.401 3.038 20 5 EGBDRO CN(C(=O)C[NH2+]C(C)(C)c1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000179575159 233182960 /nfs/dbraw/zinc/18/29/60/233182960.db2.gz WSQGTOYZSNXHBN-UHFFFAOYSA-N 1 0 345.374 3.222 20 5 EGBDRO CCCN(CCC[NH+](C)C)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000347945992 283223833 /nfs/dbraw/zinc/22/38/33/283223833.db2.gz WWICKRXIMHIXGR-UHFFFAOYSA-N 1 0 327.812 3.052 20 5 EGBDRO C[C@](O)(C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000130338260 223145279 /nfs/dbraw/zinc/14/52/79/223145279.db2.gz QJCMFDAKWIDSPJ-ALKREAHSSA-N 1 0 344.411 3.396 20 5 EGBDRO C[C@H](CNc1cc(N)ccc1[N+](=O)[O-])[N@@H+]1CCc2sccc2C1 ZINC000193383450 240139027 /nfs/dbraw/zinc/13/90/27/240139027.db2.gz QUYAUPHHACYPFA-LLVKDONJSA-N 1 0 332.429 3.097 20 5 EGBDRO Nc1ccc([N+](=O)[O-])c(NCCC[N@@H+]2CCc3ccccc3C2)c1 ZINC000193383384 240139651 /nfs/dbraw/zinc/13/96/51/240139651.db2.gz VSAINMYLUOUTLU-UHFFFAOYSA-N 1 0 326.400 3.037 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000369420453 242006619 /nfs/dbraw/zinc/00/66/19/242006619.db2.gz UUIZNUZRIXHAEP-GJZGRUSLSA-N 1 0 334.416 3.242 20 5 EGBDRO CCC[NH+]1CCC(Nc2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000049558047 214018236 /nfs/dbraw/zinc/01/82/36/214018236.db2.gz FMBJRAOWYCEUMA-UHFFFAOYSA-N 1 0 343.225 3.039 20 5 EGBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000080160967 217284034 /nfs/dbraw/zinc/28/40/34/217284034.db2.gz UWKPIWAWLURBIA-CQSZACIVSA-N 1 0 334.420 3.099 20 5 EGBDRO C[C@H](CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000136544604 223652702 /nfs/dbraw/zinc/65/27/02/223652702.db2.gz XFKHBIXZEBKVFM-GFCCVEGCSA-N 1 0 339.823 3.100 20 5 EGBDRO CC[C@H](C)[N@H+](C)CCNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000264161875 246124902 /nfs/dbraw/zinc/12/49/02/246124902.db2.gz YGPKKUUKTRTAMF-JTQLQIEISA-N 1 0 328.800 3.100 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCO[C@H]4CCC[C@H]43)o2)c1 ZINC000265120819 247223703 /nfs/dbraw/zinc/22/37/03/247223703.db2.gz JXUSLBUHQPDDKL-CVEARBPZSA-N 1 0 343.383 3.046 20 5 EGBDRO Cc1cc([C@](C)(O)C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])c(C)o1 ZINC000266155260 248135108 /nfs/dbraw/zinc/13/51/08/248135108.db2.gz LPCNZAKWDFJWBO-MRXNPFEDSA-N 1 0 338.791 3.455 20 5 EGBDRO CC[NH+](CC)CCC[C@H](C)Nc1ncnc2cccc([N+](=O)[O-])c21 ZINC000347401997 284609285 /nfs/dbraw/zinc/60/92/85/284609285.db2.gz FMVRADVGHXAOLD-ZDUSSCGKSA-N 1 0 331.420 3.460 20 5 EGBDRO COCC[N@@H+](Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)CC(C)C ZINC000092563160 218150761 /nfs/dbraw/zinc/15/07/61/218150761.db2.gz VEYPLOUSRKOBMX-UHFFFAOYSA-N 1 0 346.431 3.100 20 5 EGBDRO Cc1ccc(C[NH+]2CCC(CN3CCCCC3=O)CC2)cc1[N+](=O)[O-] ZINC000093532092 218230780 /nfs/dbraw/zinc/23/07/80/218230780.db2.gz DQFIFKLMAWZKQE-UHFFFAOYSA-N 1 0 345.443 3.128 20 5 EGBDRO C[C@H]([NH2+]Cc1cccc(C(=O)NC2CC2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000267411730 251035124 /nfs/dbraw/zinc/03/51/24/251035124.db2.gz IIKHCDURJCQYIQ-ZDUSSCGKSA-N 1 0 339.395 3.338 20 5 EGBDRO CCN(CC)C(=O)CCC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000268788962 252239433 /nfs/dbraw/zinc/23/94/33/252239433.db2.gz COGHPHVBMZLGOY-QGZVFWFLSA-N 1 0 347.459 3.154 20 5 EGBDRO C[C@@H]([NH2+]C[C@H](CO)Cc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000268852244 252300439 /nfs/dbraw/zinc/30/04/39/252300439.db2.gz PXKOEESMZFPKRY-UKRRQHHQSA-N 1 0 332.375 3.236 20 5 EGBDRO O=[N+]([O-])c1c2cccnc2ccc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000264566769 285080270 /nfs/dbraw/zinc/08/02/70/285080270.db2.gz GRRSTGAYDUCZGP-AWEZNQCLSA-N 1 0 326.400 3.208 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C1CCC3(CC1)OCCO3)CCC2 ZINC000192687259 285144037 /nfs/dbraw/zinc/14/40/37/285144037.db2.gz ACYLLEVCDBCQEJ-KRWDZBQOSA-N 1 0 332.400 3.248 20 5 EGBDRO CC[NH+]1CCC(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000113314521 220523666 /nfs/dbraw/zinc/52/36/66/220523666.db2.gz XUHKYECSGSODAR-UHFFFAOYSA-N 1 0 346.456 3.292 20 5 EGBDRO CN(C)[C@H](C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccco1 ZINC000154066007 224197662 /nfs/dbraw/zinc/19/76/62/224197662.db2.gz WZUQKPMYNWICOO-SJLPKXTDSA-N 1 0 343.427 3.401 20 5 EGBDRO Cc1ccc(NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c([N+](=O)[O-])c1 ZINC000268953786 255503056 /nfs/dbraw/zinc/50/30/56/255503056.db2.gz JBABCLGULVZUOU-FUHWJXTLSA-N 1 0 333.432 3.083 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCS[C@@H](C)[C@@H]1C ZINC000118414576 221147295 /nfs/dbraw/zinc/14/72/95/221147295.db2.gz QJGTYLWBSYQZGM-STQMWFEESA-N 1 0 337.445 3.058 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000120209427 221514344 /nfs/dbraw/zinc/51/43/44/221514344.db2.gz CDEQJJWJQDBQGX-HNNXBMFYSA-N 1 0 346.431 3.161 20 5 EGBDRO C[C@@H]([NH2+]Cc1ccc(N2CCOC2=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000183736319 533447278 /nfs/dbraw/zinc/44/72/78/533447278.db2.gz UINHHKKCAKMSRK-CYBMUJFWSA-N 1 0 341.367 3.402 20 5 EGBDRO C[C@@H]([NH2+]CCCc1nnc2n1CCCCC2)c1cccc([N+](=O)[O-])c1 ZINC000173377694 533392598 /nfs/dbraw/zinc/39/25/98/533392598.db2.gz VAXVOKVSBGPORQ-CQSZACIVSA-N 1 0 343.431 3.196 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(OCC[N@@H+](C)Cc2ccc(F)cc2)n1 ZINC000344463829 141157752 /nfs/dbraw/zinc/15/77/52/141157752.db2.gz OPHYMZDJYIFONY-UHFFFAOYSA-N 1 0 333.363 3.257 20 5 EGBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000350475485 141247712 /nfs/dbraw/zinc/24/77/12/141247712.db2.gz IMUWSMSOIJCKLZ-WMLDXEAASA-N 1 0 339.395 3.160 20 5 EGBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2CCC[C@@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000172467562 144021874 /nfs/dbraw/zinc/02/18/74/144021874.db2.gz ZLQIERCXACOGDH-GUIRCDHDSA-N 1 0 349.431 3.345 20 5 EGBDRO C[C@H]([NH2+][C@@H]1C[C@@H](C)N(c2ccccc2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000173449724 144042152 /nfs/dbraw/zinc/04/21/52/144042152.db2.gz QPKGAUGWPZRJRA-QWQRMKEZSA-N 1 0 339.395 3.439 20 5 EGBDRO COc1cc(C[N@H+](C[C@@H](C)O)C2CCCCC2)c([N+](=O)[O-])cc1F ZINC000184201061 144088538 /nfs/dbraw/zinc/08/85/38/144088538.db2.gz YUNQGUWEAMRXQQ-GFCCVEGCSA-N 1 0 340.395 3.258 20 5 EGBDRO COCC1=CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000185827570 144120057 /nfs/dbraw/zinc/12/00/57/144120057.db2.gz NQZLPMBYWOEGSB-UHFFFAOYSA-N 1 0 343.383 3.071 20 5 EGBDRO CC(C)CC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000351492409 144269496 /nfs/dbraw/zinc/26/94/96/144269496.db2.gz KBWGMOGBEKENJI-BBRMVZONSA-N 1 0 333.432 3.388 20 5 EGBDRO CC[C@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccccc1 ZINC000341220988 155212188 /nfs/dbraw/zinc/21/21/88/155212188.db2.gz OJLGNOZCZJLMLA-KRWDZBQOSA-N 1 0 339.395 3.225 20 5 EGBDRO COC[C@H](Cc1ccccc1)[N@H+](C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000191494955 153201957 /nfs/dbraw/zinc/20/19/57/153201957.db2.gz YTTSYCBEWYRMED-KRWDZBQOSA-N 1 0 344.411 3.293 20 5 EGBDRO CCn1nc(C)c([N+](=O)[O-])c1N[C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000192744465 153258340 /nfs/dbraw/zinc/25/83/40/153258340.db2.gz ACHJVZDKGHOHRK-CYBMUJFWSA-N 1 0 331.420 3.052 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]([NH+](C)C)Cc3ccccc32)c1 ZINC000173003935 292282907 /nfs/dbraw/zinc/28/29/07/292282907.db2.gz UUAXEQQHWWUMST-HNNXBMFYSA-N 1 0 339.395 3.036 20 5 EGBDRO CC[C@H](c1ccccc1)[N@H+](CC)CCn1cc([N+](=O)[O-])ccc1=O ZINC000341621832 155386384 /nfs/dbraw/zinc/38/63/84/155386384.db2.gz RFAXJMFBENRCRA-QGZVFWFLSA-N 1 0 329.400 3.230 20 5 EGBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1cccnc1 ZINC000194720665 153353819 /nfs/dbraw/zinc/35/38/19/153353819.db2.gz WCADRRUIFVQYAO-MNOVXSKESA-N 1 0 348.790 3.321 20 5 EGBDRO CCO[C@@H]1C[C@H](O)C12CC[NH+]([C@@H](C)c1cc([N+](=O)[O-])ccc1C)CC2 ZINC000305830274 286411133 /nfs/dbraw/zinc/41/11/33/286411133.db2.gz NWKKZMORXLJQGD-JCGIZDLHSA-N 1 0 348.443 3.216 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCC(C)(C)CC1 ZINC000303850298 154059412 /nfs/dbraw/zinc/05/94/12/154059412.db2.gz DJVDQTJHLXUWPX-UHFFFAOYSA-N 1 0 349.431 3.444 20 5 EGBDRO Cc1c(C[NH2+]C2CCN(CC(F)(F)F)CC2)cccc1[N+](=O)[O-] ZINC000323046333 154170053 /nfs/dbraw/zinc/17/00/53/154170053.db2.gz DZAXTJJEVCXRPV-UHFFFAOYSA-N 1 0 331.338 3.020 20 5 EGBDRO CC[C@@H]([NH2+]C[C@@H](CC(C)C)N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000336885290 154230204 /nfs/dbraw/zinc/23/02/04/154230204.db2.gz DCQLFEFPMJLQFX-RTBURBONSA-N 1 0 349.475 3.382 20 5 EGBDRO Cc1cccc2c1C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC2 ZINC000337447014 154357708 /nfs/dbraw/zinc/35/77/08/154357708.db2.gz COQBHHOPWHQNOB-UHFFFAOYSA-N 1 0 339.395 3.290 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@]1(N(C)C)CCSC1 ZINC000345043591 155908920 /nfs/dbraw/zinc/90/89/20/155908920.db2.gz IXXBOIYSDXMWJV-ZGUWOUCSSA-N 1 0 335.473 3.025 20 5 EGBDRO CCOC(=O)CC(C)(C)CC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000347027552 156257384 /nfs/dbraw/zinc/25/73/84/156257384.db2.gz DZGLINUTMHEVTG-UHFFFAOYSA-N 1 0 334.416 3.322 20 5 EGBDRO CC(C)(C)c1nc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])cs1 ZINC000348918420 156287030 /nfs/dbraw/zinc/28/70/30/156287030.db2.gz CHDFXVQLCDAALM-UHFFFAOYSA-N 1 0 334.445 3.314 20 5 EGBDRO COc1cc(C[N@H+](C)CC2CCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000111297557 162150909 /nfs/dbraw/zinc/15/09/09/162150909.db2.gz OZBRTAJDACTNAN-UHFFFAOYSA-N 1 0 330.331 3.437 20 5 EGBDRO O=[N+]([O-])c1cccc(C[N@@H+](CCCO)[C@@H]2CCc3ccccc32)c1 ZINC000114469739 162233526 /nfs/dbraw/zinc/23/35/26/162233526.db2.gz KQNJYDGFZSXKSH-LJQANCHMSA-N 1 0 326.396 3.467 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000125735324 162286422 /nfs/dbraw/zinc/28/64/22/162286422.db2.gz CLPBRFPPCYOZGU-LBPRGKRZSA-N 1 0 334.420 3.065 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@@H]3C[C@H]4OCCC[C@@H]34)cs2)c1 ZINC000249194433 163060799 /nfs/dbraw/zinc/06/07/99/163060799.db2.gz ASUQWYPUUDLFNU-ARFHVFGLSA-N 1 0 345.424 3.375 20 5 EGBDRO O=[N+]([O-])c1cc(C[NH2+][C@@]2(CO)CCc3ccccc32)ccc1Cl ZINC000305166253 163075913 /nfs/dbraw/zinc/07/59/13/163075913.db2.gz OQJQYSSQEMWZEV-QGZVFWFLSA-N 1 0 332.787 3.172 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3cnc4ccccc4c3)C2)nc1 ZINC000337193540 163159273 /nfs/dbraw/zinc/15/92/73/163159273.db2.gz VNFRSXKUHCNWTB-MRXNPFEDSA-N 1 0 349.394 3.224 20 5 EGBDRO C[C@@H]1Cc2ccccc2C[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337210735 163164161 /nfs/dbraw/zinc/16/41/61/163164161.db2.gz CVKZDRLGNORMCY-CQSZACIVSA-N 1 0 339.395 3.370 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H](C)CC(C)(C)C1 ZINC000344001700 164080302 /nfs/dbraw/zinc/08/03/02/164080302.db2.gz VSSAPTDJYNIEMT-CYBMUJFWSA-N 1 0 349.431 3.300 20 5 EGBDRO CC[C@@]1(C)CCN([C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000344213113 164127692 /nfs/dbraw/zinc/12/76/92/164127692.db2.gz DMYDAKDDVKPWDG-SJCJKPOMSA-N 1 0 335.404 3.052 20 5 EGBDRO COc1ccc(-c2ccc(C[NH2+]CC[C@@H](O)C(C)C)o2)c([N+](=O)[O-])c1 ZINC000344451011 164181708 /nfs/dbraw/zinc/18/17/08/164181708.db2.gz BOGLXRPJZKZNSV-QGZVFWFLSA-N 1 0 348.399 3.360 20 5 EGBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000344586281 164193949 /nfs/dbraw/zinc/19/39/49/164193949.db2.gz RLWHWAVHONRMMD-JZXOWHBKSA-N 1 0 347.459 3.311 20 5 EGBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000345767814 164262039 /nfs/dbraw/zinc/26/20/39/164262039.db2.gz BHGRSQHJJCUQQP-UHFFFAOYSA-N 1 0 348.362 3.085 20 5 EGBDRO C[C@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[N@@H+]1CCCC[C@H]1C ZINC000345993691 164312580 /nfs/dbraw/zinc/31/25/80/164312580.db2.gz PDHZCXOGGQTZEG-VXGBXAGGSA-N 1 0 339.823 3.241 20 5 EGBDRO CC(C)[NH+](CCN(C)C(=O)Nc1ccc([N+](=O)[O-])cc1F)C(C)C ZINC000351634852 165107068 /nfs/dbraw/zinc/10/70/68/165107068.db2.gz NTTZAVQGYJFGOL-UHFFFAOYSA-N 1 0 340.399 3.316 20 5 EGBDRO [NH3+]CCCN(CC1CCCC1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000357359571 166658802 /nfs/dbraw/zinc/65/88/02/166658802.db2.gz ZCRQWDLJILIGIP-UHFFFAOYSA-N 1 0 339.823 3.229 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000359083123 167062739 /nfs/dbraw/zinc/06/27/39/167062739.db2.gz NJTBEGQLCBAFSL-MRXNPFEDSA-N 1 0 340.427 3.317 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(c2ccncc2)CC1 ZINC000366762522 168136758 /nfs/dbraw/zinc/13/67/58/168136758.db2.gz XHBBPHLFPNZWIP-UHFFFAOYSA-N 1 0 327.384 3.378 20 5 EGBDRO Cc1ccc([C@H]2CCCCC[N@@H+]2CCn2cc([N+](=O)[O-])ccc2=O)o1 ZINC000159844151 225288443 /nfs/dbraw/zinc/28/84/43/225288443.db2.gz UFHPVZDABLGGRM-MRXNPFEDSA-N 1 0 345.399 3.275 20 5 EGBDRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000122793587 222159064 /nfs/dbraw/zinc/15/90/64/222159064.db2.gz FRMJKHCPULYUHZ-LSDHHAIUSA-N 1 0 335.404 3.130 20 5 EGBDRO C[N@H+](CCOCC1CC1)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000123023169 222202156 /nfs/dbraw/zinc/20/21/56/222202156.db2.gz SPLDKTHQTMSSDD-UHFFFAOYSA-N 1 0 343.221 3.216 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000176399348 265176863 /nfs/dbraw/zinc/17/68/63/265176863.db2.gz DRBKTTHSEXYKSE-UHFFFAOYSA-N 1 0 334.420 3.241 20 5 EGBDRO [NH3+][C@H]1CCCCCC[C@@H]1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000178539889 265323433 /nfs/dbraw/zinc/32/34/33/265323433.db2.gz SQZDXBCFNYYULF-ROUUACIJSA-N 1 0 347.459 3.331 20 5 EGBDRO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)c1csc([N+](=O)[O-])c1 ZINC000178921311 265351915 /nfs/dbraw/zinc/35/19/15/265351915.db2.gz DOXVDTHHVBRVKT-UHFFFAOYSA-N 1 0 347.440 3.297 20 5 EGBDRO CN(CC1([NH+](C)C)CCC1)c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000188518688 265685199 /nfs/dbraw/zinc/68/51/99/265685199.db2.gz KTOHSTXGHFTNIF-UHFFFAOYSA-N 1 0 329.347 3.117 20 5 EGBDRO C[C@H]1CCCC[N@@H+]1CCCNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000193677919 266053044 /nfs/dbraw/zinc/05/30/44/266053044.db2.gz VPBNECVMCXDXPY-ZDUSSCGKSA-N 1 0 346.431 3.156 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CC[C@H](c3ccccc3F)C2)c1 ZINC000269659418 266336441 /nfs/dbraw/zinc/33/64/41/266336441.db2.gz PQMXBTMMTSPYDB-KSSFIOAISA-N 1 0 330.359 3.257 20 5 EGBDRO COc1ccc(C)cc1[C@@H](C)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269675838 266339024 /nfs/dbraw/zinc/33/90/24/266339024.db2.gz CCJPDZJAIZKFEP-DYVFJYSZSA-N 1 0 330.384 3.296 20 5 EGBDRO CC(C)[C@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CCO1 ZINC000271452774 266665085 /nfs/dbraw/zinc/66/50/85/266665085.db2.gz FBSIVBOQCGVVFL-SWLSCSKDSA-N 1 0 344.358 3.489 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(C2(C)OCCO2)CC1 ZINC000272432203 266842079 /nfs/dbraw/zinc/84/20/79/266842079.db2.gz HTWBFNNGECUNQJ-AWEZNQCLSA-N 1 0 334.416 3.439 20 5 EGBDRO O=[N+]([O-])c1cnc(NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)nc1 ZINC000273652362 267076285 /nfs/dbraw/zinc/07/62/85/267076285.db2.gz UOPLDONWVIDFCY-HNNXBMFYSA-N 1 0 347.806 3.287 20 5 EGBDRO CCC(C)(C)[NH2+][C@H](C)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000274841321 267295028 /nfs/dbraw/zinc/29/50/28/267295028.db2.gz UIWWIQAFOVACIM-CYBMUJFWSA-N 1 0 333.432 3.253 20 5 EGBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C[C@H](C)[N@H+]1C ZINC000338793287 274363971 /nfs/dbraw/zinc/36/39/71/274363971.db2.gz KEINWAPMDQTVDO-OKILXGFUSA-N 1 0 326.400 3.186 20 5 EGBDRO CCn1nc(C)c([N+](=O)[O-])c1N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000172824226 275197630 /nfs/dbraw/zinc/19/76/30/275197630.db2.gz PEAWPKMBSIJWLS-MRXNPFEDSA-N 1 0 343.431 3.196 20 5 EGBDRO CCOC(=O)[C@]1(C(C)C)CC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000194874797 275228755 /nfs/dbraw/zinc/22/87/55/275228755.db2.gz LBRRJUCYYQNPLJ-OAHLLOKOSA-N 1 0 326.418 3.068 20 5 EGBDRO CC[C@@H]([NH2+]CCCN1CCCO[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000278724644 275269163 /nfs/dbraw/zinc/26/91/63/275269163.db2.gz WCDMBXZNXWSENM-MAUKXSAKSA-N 1 0 335.448 3.136 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1cccc(-n3cncn3)c1)CCC2 ZINC000278882052 275283948 /nfs/dbraw/zinc/28/39/48/275283948.db2.gz YAJSNFBZIYGVPM-LJQANCHMSA-N 1 0 349.394 3.343 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(-n3cncn3)c1)CCC2 ZINC000278882048 275283983 /nfs/dbraw/zinc/28/39/83/275283983.db2.gz YAJSNFBZIYGVPM-IBGZPJMESA-N 1 0 349.394 3.343 20 5 EGBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H]2CCc3nccn3C2)cc1[N+](=O)[O-] ZINC000278934851 275289084 /nfs/dbraw/zinc/28/90/84/275289084.db2.gz JMUMTAHKOBLJQJ-UONOGXRCSA-N 1 0 344.415 3.103 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@@H](CO)CC3CCC3)cs2)c1 ZINC000279918261 275375594 /nfs/dbraw/zinc/37/55/94/275375594.db2.gz XGIBSGPLFIRSKI-CQSZACIVSA-N 1 0 347.440 3.359 20 5 EGBDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@H](C)c3cccc([N+](=O)[O-])c3C)[C@@H]2C1 ZINC000343925770 275474567 /nfs/dbraw/zinc/47/45/67/275474567.db2.gz IJOSVELCTWNGLR-SIUPPRGNSA-N 1 0 345.443 3.201 20 5 EGBDRO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000182718127 275519495 /nfs/dbraw/zinc/51/94/95/275519495.db2.gz WQQWHHLPFAJHFX-HNNXBMFYSA-N 1 0 349.431 3.474 20 5 EGBDRO C[S@@](=O)C1(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CCC1 ZINC000281194022 275529123 /nfs/dbraw/zinc/52/91/23/275529123.db2.gz XURCKFOQOZAYIJ-IQMFZBJNSA-N 1 0 336.457 3.208 20 5 EGBDRO CC(C)c1ccc(C(=O)N(C)CCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000281674917 275567592 /nfs/dbraw/zinc/56/75/92/275567592.db2.gz KDIWPHRLPUDFNM-UHFFFAOYSA-N 1 0 333.432 3.276 20 5 EGBDRO C[C@H](Cn1cccn1)[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000282647344 275656936 /nfs/dbraw/zinc/65/69/36/275656936.db2.gz QGILYNRXGBONQY-INMHGKMJSA-N 1 0 328.416 3.181 20 5 EGBDRO CCC[C@]1(CO)CCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000289098447 276290428 /nfs/dbraw/zinc/29/04/28/276290428.db2.gz PHHREEQTUHEYDT-SFHVURJKSA-N 1 0 329.400 3.440 20 5 EGBDRO C[C@H](Cn1cccn1)[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000289776139 276392349 /nfs/dbraw/zinc/39/23/49/276392349.db2.gz KQSJKQPLMFBTFU-SECBINFHSA-N 1 0 329.187 3.276 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000289798343 276396602 /nfs/dbraw/zinc/39/66/02/276396602.db2.gz NBCMRKBVOKPEBT-HNNXBMFYSA-N 1 0 348.447 3.495 20 5 EGBDRO C[NH+](C)C[C@@H]1CCN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000290023799 276435935 /nfs/dbraw/zinc/43/59/35/276435935.db2.gz PPCSIYXODWWPIX-JTQLQIEISA-N 1 0 332.231 3.285 20 5 EGBDRO CCOc1ccc([C@H](C)[NH2+]CCc2cccnc2OC)cc1[N+](=O)[O-] ZINC000290043350 276438999 /nfs/dbraw/zinc/43/89/99/276438999.db2.gz DQKZGJRFJQDHLY-ZDUSSCGKSA-N 1 0 345.399 3.290 20 5 EGBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1CN1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000290579882 276514538 /nfs/dbraw/zinc/51/45/38/276514538.db2.gz ZHLUEWCAFSAMDA-TVQRCGJNSA-N 1 0 330.215 3.085 20 5 EGBDRO C[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000178654976 279511302 /nfs/dbraw/zinc/51/13/02/279511302.db2.gz DHPLYQBJXKDEON-GXTWGEPZSA-N 1 0 335.404 3.255 20 5 EGBDRO Cc1cc(N2CCC[C@H]([NH+](C)C)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000375933401 280554094 /nfs/dbraw/zinc/55/40/94/280554094.db2.gz RBPKLDOQNQWJGT-AWEZNQCLSA-N 1 0 328.416 3.372 20 5 EGBDRO C[NH+](C)C1(CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])CCCCC1 ZINC000267502033 282042510 /nfs/dbraw/zinc/04/25/10/282042510.db2.gz ZEGXRJBZSFDNPJ-UHFFFAOYSA-N 1 0 339.823 3.243 20 5 EGBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000195333361 288757172 /nfs/dbraw/zinc/75/71/72/288757172.db2.gz UYMUNRGZZYYMID-CQSZACIVSA-N 1 0 347.419 3.352 20 5 EGBDRO Cc1ccnc(N2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000413530502 309036076 /nfs/dbraw/zinc/03/60/76/309036076.db2.gz JRMPXFLRZPIJJR-OAHLLOKOSA-N 1 0 326.400 3.009 20 5 EGBDRO C[N@H+](CCCCc1ccccc1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000053081714 307334519 /nfs/dbraw/zinc/33/45/19/307334519.db2.gz ZSVLTSHUZLCYOK-UHFFFAOYSA-N 1 0 341.411 3.148 20 5 EGBDRO C[NH+](C)Cc1cccc(NC(=O)CCOc2ccccc2[N+](=O)[O-])c1 ZINC000055308534 307340156 /nfs/dbraw/zinc/34/01/56/307340156.db2.gz JKFFZUTVRCBVDJ-UHFFFAOYSA-N 1 0 343.383 3.064 20 5 EGBDRO Cc1cccc(C2([NH2+]CCn3cc([N+](=O)[O-])ccc3=O)CCCC2)c1 ZINC000090554068 307460380 /nfs/dbraw/zinc/46/03/80/307460380.db2.gz PJOCZSDBWJGVQR-UHFFFAOYSA-N 1 0 341.411 3.124 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000131697968 307648001 /nfs/dbraw/zinc/64/80/01/307648001.db2.gz PCQQSIZVHLNAMW-ZDUSSCGKSA-N 1 0 336.436 3.309 20 5 EGBDRO CO[C@@](C)([C@H](C)[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000414228775 309067620 /nfs/dbraw/zinc/06/76/20/309067620.db2.gz MHUSYAQBMHHCQJ-LXIYXOSZSA-N 1 0 349.431 3.105 20 5 EGBDRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cn1 ZINC000414237916 309068195 /nfs/dbraw/zinc/06/81/95/309068195.db2.gz BNSSEIQCTVHCCY-DHSIGJKJSA-N 1 0 344.415 3.240 20 5 EGBDRO O=C(/C=C\c1cccc([N+](=O)[O-])c1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000255667811 308057074 /nfs/dbraw/zinc/05/70/74/308057074.db2.gz YSQVKLPRWGZSJK-XZVRFQMRSA-N 1 0 343.427 3.085 20 5 EGBDRO CCCC(=O)NC[C@@H]1CCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255919848 308063217 /nfs/dbraw/zinc/06/32/17/308063217.db2.gz PHMDXSNJFQWDGE-DIEDAUMRSA-N 1 0 345.443 3.236 20 5 EGBDRO Cc1cc(N2CC[C@H](C[NH+](C)C)C2)c(Br)cc1[N+](=O)[O-] ZINC000293037780 308092623 /nfs/dbraw/zinc/09/26/23/308092623.db2.gz KMBBANUQDCFMAQ-LLVKDONJSA-N 1 0 342.237 3.054 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)Cc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000294394613 308217336 /nfs/dbraw/zinc/21/73/36/308217336.db2.gz CEBKPTHRHGUKRW-DYVFJYSZSA-N 1 0 332.375 3.297 20 5 EGBDRO COc1cc(CNc2ccc3c([nH+]2)CCC3)c([N+](=O)[O-])cc1OC ZINC000294721033 308249364 /nfs/dbraw/zinc/24/93/64/308249364.db2.gz AVYBHTGAOPIYKW-UHFFFAOYSA-N 1 0 329.356 3.108 20 5 EGBDRO Cc1ccc(CN(Cc2cccc(C(N)=O)c2)C2CC2)cc1[N+](=O)[O-] ZINC000294768228 308254709 /nfs/dbraw/zinc/25/47/09/308254709.db2.gz JYADFRVURMVLJW-UHFFFAOYSA-N 1 0 339.395 3.167 20 5 EGBDRO Cc1nc(N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000294892134 308268368 /nfs/dbraw/zinc/26/83/68/308268368.db2.gz GILIDWJKFDWDED-BBRMVZONSA-N 1 0 341.415 3.016 20 5 EGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000295079371 308289019 /nfs/dbraw/zinc/28/90/19/308289019.db2.gz BAFMRXGOAFGZJI-KBPBESRZSA-N 1 0 333.432 3.269 20 5 EGBDRO O=C1CCCN1[C@H]1CCC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000414551601 309088337 /nfs/dbraw/zinc/08/83/37/309088337.db2.gz OSBBMJXDRYTQAZ-KNYPUDEUSA-N 1 0 343.427 3.085 20 5 EGBDRO CC(C)C[C@H]([NH3+])c1noc(Cc2c[nH]c3ccc([N+](=O)[O-])cc23)n1 ZINC000414625396 309092190 /nfs/dbraw/zinc/09/21/90/309092190.db2.gz WQHJYEJPLFISLC-ZDUSSCGKSA-N 1 0 329.360 3.096 20 5 EGBDRO CC[C@@H](C)[NH2+]Cc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000296102292 308393713 /nfs/dbraw/zinc/39/37/13/308393713.db2.gz UIIOBHUPDOMMHI-SECBINFHSA-N 1 0 336.310 3.433 20 5 EGBDRO CC[NH+](CC)[C@H](CNc1ncc([N+](=O)[O-])c(C)n1)c1ccsc1 ZINC000296655177 308452533 /nfs/dbraw/zinc/45/25/33/308452533.db2.gz XUDQXSCIUOAYOO-CQSZACIVSA-N 1 0 335.433 3.250 20 5 EGBDRO C[C@H]([NH2+]CCC(=O)N1CCc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000296723910 308459988 /nfs/dbraw/zinc/45/99/88/308459988.db2.gz NGUFFSLXATVHDY-AWEZNQCLSA-N 1 0 339.395 3.225 20 5 EGBDRO C[NH+](C)[C@H](CNc1ncc(Cl)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000301745720 308713693 /nfs/dbraw/zinc/71/36/93/308713693.db2.gz ONPLVBXVFURYHB-AWEZNQCLSA-N 1 0 334.807 3.228 20 5 EGBDRO CC(C)C[C@H](CNc1c(Br)cncc1[N+](=O)[O-])[NH+](C)C ZINC000301857542 308718669 /nfs/dbraw/zinc/71/86/69/308718669.db2.gz CKMWRJBOAOKLTB-SNVBAGLBSA-N 1 0 345.241 3.141 20 5 EGBDRO CC(C)(C)Oc1cc(N2CC[C@H]([NH+]3CC=CC3)C2)ccc1[N+](=O)[O-] ZINC000301891292 308720277 /nfs/dbraw/zinc/72/02/77/308720277.db2.gz LYHOQFBYYSQUDV-HNNXBMFYSA-N 1 0 331.416 3.223 20 5 EGBDRO CC[NH+]1CCN(c2cccc(Nc3cc(C)c([N+](=O)[O-])cn3)c2)CC1 ZINC000302231968 308734459 /nfs/dbraw/zinc/73/44/59/308734459.db2.gz CHOFHWFVYKKOIE-UHFFFAOYSA-N 1 0 341.415 3.184 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000331425631 308806484 /nfs/dbraw/zinc/80/64/84/308806484.db2.gz QWMSPTKBTCWJTR-YOEHRIQHSA-N 1 0 346.431 3.289 20 5 EGBDRO Cc1cc(NCC2([NH+](C)C)CC2)c(Br)cc1[N+](=O)[O-] ZINC000397951811 308904940 /nfs/dbraw/zinc/90/49/40/308904940.db2.gz AQIZCUTVAVFJIP-UHFFFAOYSA-N 1 0 328.210 3.172 20 5 EGBDRO CC(C)[NH+](CCN(C)C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000412248883 308977125 /nfs/dbraw/zinc/97/71/25/308977125.db2.gz LDFCTHBSOWZFMA-ZWKOTPCHSA-N 1 0 347.459 3.276 20 5 EGBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])cc2F)C1 ZINC000413064236 309014194 /nfs/dbraw/zinc/01/41/94/309014194.db2.gz BTJXNAYJMFEKKE-JSGCOSHPSA-N 1 0 330.363 3.376 20 5 EGBDRO O=[N+]([O-])c1cnc(N2CC[C@@H]([NH+]3CCCCC3)C2)c(C(F)(F)F)c1 ZINC000413145303 309018046 /nfs/dbraw/zinc/01/80/46/309018046.db2.gz ZLSOBRSXZNEBGX-LLVKDONJSA-N 1 0 344.337 3.073 20 5 EGBDRO C[NH2+]CCCNCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000414862664 309106071 /nfs/dbraw/zinc/10/60/71/309106071.db2.gz WBRZFVZSNKONAX-UHFFFAOYSA-N 1 0 328.416 3.062 20 5 EGBDRO O=[N+]([O-])c1ccc(CN[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c(F)c1 ZINC000414896593 309108082 /nfs/dbraw/zinc/10/80/82/309108082.db2.gz PNUYQXZDDMDARE-SJLPKXTDSA-N 1 0 347.365 3.108 20 5 EGBDRO COc1ccc(NC(=O)C[C@@H](c2ccccc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000416204051 309163599 /nfs/dbraw/zinc/16/35/99/309163599.db2.gz MXVJYGFADZWFRX-HNNXBMFYSA-N 1 0 343.383 3.235 20 5 EGBDRO CN(C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)C(C)(C)C[NH+]1CCCC1 ZINC000416331371 309168971 /nfs/dbraw/zinc/16/89/71/309168971.db2.gz BOGCEFIQKRWUEE-UHFFFAOYSA-N 1 0 344.415 3.023 20 5 EGBDRO C[C@H](NC(=O)N(CCC[NH3+])CC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000417126735 309194156 /nfs/dbraw/zinc/19/41/56/309194156.db2.gz DZEXYGOMXZTBKM-AWEZNQCLSA-N 1 0 348.447 3.206 20 5 EGBDRO Cc1noc(CCC[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)n1 ZINC000417311812 309201189 /nfs/dbraw/zinc/20/11/89/309201189.db2.gz QFBZOALTEASQHP-MRXNPFEDSA-N 1 0 330.388 3.276 20 5 EGBDRO CN(C)[C@]1(C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CCSC1 ZINC000417313890 309201321 /nfs/dbraw/zinc/20/13/21/309201321.db2.gz QITZFTILOKAMNQ-ROUUACIJSA-N 1 0 349.500 3.389 20 5 EGBDRO CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417318907 309201498 /nfs/dbraw/zinc/20/14/98/309201498.db2.gz ZQXNPBPZHIUACP-PKOBYXMFSA-N 1 0 349.475 3.309 20 5 EGBDRO CO[C@@H]1COCC[C@H]1C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417349805 309202567 /nfs/dbraw/zinc/20/25/67/309202567.db2.gz MQMYWAVLJIDIDI-BMGDILEWSA-N 1 0 334.416 3.003 20 5 EGBDRO Cc1c([C@H](C)[NH2+]CC(C)(C)C2(O)CCOCC2)cccc1[N+](=O)[O-] ZINC000417384953 309203897 /nfs/dbraw/zinc/20/38/97/309203897.db2.gz QREAJHIOABFUPF-AWEZNQCLSA-N 1 0 336.432 3.122 20 5 EGBDRO CCCN(C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000417818218 309223872 /nfs/dbraw/zinc/22/38/72/309223872.db2.gz ATBXEVJMAHVVLT-CQSZACIVSA-N 1 0 348.447 3.138 20 5 EGBDRO C[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(C2CC2)cc1 ZINC000419342050 309265038 /nfs/dbraw/zinc/26/50/38/309265038.db2.gz OTKHBCRFLWLFEP-LBPRGKRZSA-N 1 0 339.395 3.422 20 5 EGBDRO C[NH+](C)C1CCC(Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000420621604 309290503 /nfs/dbraw/zinc/29/05/03/309290503.db2.gz DKYYJNGELGUCJW-UHFFFAOYSA-N 1 0 329.347 3.481 20 5 EGBDRO C[C@@H]1C[C@H](CO)C[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000421364384 309320554 /nfs/dbraw/zinc/32/05/54/309320554.db2.gz RVHVCYXVEFNNCX-OLZOCXBDSA-N 1 0 347.440 3.169 20 5 EGBDRO Cc1cc(N2CCC3(CC[NH2+]3)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000422539387 309361361 /nfs/dbraw/zinc/36/13/61/309361361.db2.gz KGHDLSYTCIYGJN-UHFFFAOYSA-N 1 0 329.322 3.254 20 5 EGBDRO [NH3+][C@@H]1CCCCC[C@H]1NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000423091490 309385383 /nfs/dbraw/zinc/38/53/83/309385383.db2.gz XFHHUJVWSFKHAS-ZIAGYGMSSA-N 1 0 331.338 3.363 20 5 EGBDRO Cc1ccc([C@@H](C)NC(=O)[C@H]([NH3+])CC2CCCCC2)cc1[N+](=O)[O-] ZINC000423270154 309393404 /nfs/dbraw/zinc/39/34/04/309393404.db2.gz GFKKMASBANABLN-CZUORRHYSA-N 1 0 333.432 3.378 20 5 EGBDRO C[C@@H]([NH3+])c1ccc(C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000423272312 309393512 /nfs/dbraw/zinc/39/35/12/309393512.db2.gz JUPGRQQBQPOKSK-GFCCVEGCSA-N 1 0 327.384 3.280 20 5 EGBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1C[C@H]1C1CCC1 ZINC000424287748 309436678 /nfs/dbraw/zinc/43/66/78/309436678.db2.gz HWUPTWSXRPSHFC-IFIJOSMWSA-N 1 0 331.416 3.338 20 5 EGBDRO CC(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)cc1 ZINC000428898583 309563865 /nfs/dbraw/zinc/56/38/65/309563865.db2.gz VQZGQVHLAXKYBL-KRWDZBQOSA-N 1 0 345.374 3.287 20 5 EGBDRO CC(C)(CO)[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000429724389 309588533 /nfs/dbraw/zinc/58/85/33/309588533.db2.gz WPCLFRAVLIYGBZ-SFHVURJKSA-N 1 0 328.412 3.487 20 5 EGBDRO C[C@@H]([NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)c1cccc(O)c1 ZINC000433037423 309676260 /nfs/dbraw/zinc/67/62/60/309676260.db2.gz FEJJGCUQHSYUCS-QWHCGFSZSA-N 1 0 343.383 3.368 20 5 EGBDRO CN(C)c1cccc(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000447542183 309981577 /nfs/dbraw/zinc/98/15/77/309981577.db2.gz OMXPWAITWZJLBS-IRXDYDNUSA-N 1 0 343.431 3.131 20 5 EGBDRO CCO[C@H](CC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)C(C)C ZINC000447562773 309982205 /nfs/dbraw/zinc/98/22/05/309982205.db2.gz MYCPDAWNKUXBOX-OWCLPIDISA-N 1 0 338.452 3.316 20 5 EGBDRO Cc1nc2ccccc2n1CC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449059613 310033684 /nfs/dbraw/zinc/03/36/84/310033684.db2.gz CAGFVMNOVQHDLA-CQSZACIVSA-N 1 0 338.411 3.474 20 5 EGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CCN(c2ccccn2)CC1 ZINC000449076756 310035200 /nfs/dbraw/zinc/03/52/00/310035200.db2.gz HXFONCPSBSCSRD-OAHLLOKOSA-N 1 0 340.427 3.179 20 5 EGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](Cc1ccccc1)CN(C)C ZINC000449087182 310035956 /nfs/dbraw/zinc/03/59/56/310035956.db2.gz UTBIQSNSZGOSAZ-LPHOPBHVSA-N 1 0 341.455 3.288 20 5 EGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](CO)Cc1ccc(F)cc1 ZINC000449094814 310036786 /nfs/dbraw/zinc/03/67/86/310036786.db2.gz UKBIQYKPGNRKQY-GDBMZVCRSA-N 1 0 346.402 3.106 20 5 EGBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H]2CCC[C@H]2Cc2ccc(Cl)cc2)c1 ZINC000449196697 310043725 /nfs/dbraw/zinc/04/37/25/310043725.db2.gz SLWXQGTYSATZBJ-YOEHRIQHSA-N 1 0 348.834 3.446 20 5 EGBDRO COc1ccc(-c2ccc(C[NH2+][C@H]3CC[C@@H](CO)C3)o2)c([N+](=O)[O-])c1 ZINC000449425076 310060878 /nfs/dbraw/zinc/06/08/78/310060878.db2.gz GPZSWNHATXJMCE-OLZOCXBDSA-N 1 0 346.383 3.114 20 5 EGBDRO COc1cc(C[NH2+]C[C@H]2CCCC2(F)F)c([N+](=O)[O-])cc1OC ZINC000449499036 310067018 /nfs/dbraw/zinc/06/70/18/310067018.db2.gz SMTMJIQHNKHXGW-LLVKDONJSA-N 1 0 330.331 3.137 20 5 EGBDRO COc1cc(C[NH2+]C[C@@H]2CCCC2(F)F)c([N+](=O)[O-])cc1OC ZINC000449499037 310067046 /nfs/dbraw/zinc/06/70/46/310067046.db2.gz SMTMJIQHNKHXGW-NSHDSACASA-N 1 0 330.331 3.137 20 5 EGBDRO CCN1C[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1=O ZINC000449515872 310068629 /nfs/dbraw/zinc/06/86/29/310068629.db2.gz BZKAPEHYGTYXQD-CYBMUJFWSA-N 1 0 345.424 3.034 20 5 EGBDRO C[C@@H]1CN(c2nccc3c2cccc3[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000450548788 310129554 /nfs/dbraw/zinc/12/95/54/310129554.db2.gz UJRITPNOUFIDQD-ZDUSSCGKSA-N 1 0 326.400 3.064 20 5 EGBDRO CC[C@H]1CCCCN1C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000451099717 310160500 /nfs/dbraw/zinc/16/05/00/310160500.db2.gz NAHHXZBTQPQHTO-LZWOXQAQSA-N 1 0 333.432 3.425 20 5 EGBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)NCC1CCCCC1 ZINC000451102293 310160694 /nfs/dbraw/zinc/16/06/94/310160694.db2.gz CILDDPSDRHJENR-UONOGXRCSA-N 1 0 333.432 3.330 20 5 EGBDRO CO[C@@]1(C)C[C@@H]([NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1(C)C ZINC000451481147 310180529 /nfs/dbraw/zinc/18/05/29/310180529.db2.gz AGVIQQZZPSFKOA-QAPCUYQASA-N 1 0 349.431 3.025 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000451505208 310181588 /nfs/dbraw/zinc/18/15/88/310181588.db2.gz SPFBPVFUBKZQJD-KBAYOESNSA-N 1 0 346.427 3.429 20 5 EGBDRO C[C@H](C(=O)NC(C)(C)C)[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451550810 310185719 /nfs/dbraw/zinc/18/57/19/310185719.db2.gz SBBLFVRRNIYPBO-UKRRQHHQSA-N 1 0 333.432 3.077 20 5 EGBDRO Cc1csc(=O)n1CC[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451564011 310186617 /nfs/dbraw/zinc/18/66/17/310186617.db2.gz KLDJRQKINIVXRF-OAHLLOKOSA-N 1 0 347.440 3.006 20 5 EGBDRO COc1cc(C[NH2+][C@H](C(C)C)[C@H](CO)C(C)C)c([N+](=O)[O-])cc1F ZINC000451591426 310188194 /nfs/dbraw/zinc/18/81/94/310188194.db2.gz DPGKITKGFJXKPZ-CXAGYDPISA-N 1 0 342.411 3.121 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000451698553 310193104 /nfs/dbraw/zinc/19/31/04/310193104.db2.gz CSZFIBGYGQWYFD-IIDMSEBBSA-N 1 0 348.443 3.365 20 5 EGBDRO CCO[C@@H]1CCCC[C@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000452036449 310208558 /nfs/dbraw/zinc/20/85/58/310208558.db2.gz QVKCOFFBSOOZAL-IAGOWNOFSA-N 1 0 349.431 3.169 20 5 EGBDRO CCOc1cccc(C[N@H+](CCO)CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000452049628 310209423 /nfs/dbraw/zinc/20/94/23/310209423.db2.gz SPDUJBPZSOCIFP-UHFFFAOYSA-N 1 0 344.411 3.031 20 5 EGBDRO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CCC[C@@H](C)C1 ZINC000452062941 310209891 /nfs/dbraw/zinc/20/98/91/310209891.db2.gz UZXGGMWPCFCTAB-FXUDXRNXSA-N 1 0 336.432 3.139 20 5 EGBDRO CC(C)(C)C[C@@H]1CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000452074594 310210457 /nfs/dbraw/zinc/21/04/57/310210457.db2.gz HGSNBNKQSOUXIC-GJZGRUSLSA-N 1 0 336.432 3.093 20 5 EGBDRO COc1ccc2c(c1)C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)CO2 ZINC000453235571 310265834 /nfs/dbraw/zinc/26/58/34/310265834.db2.gz XZDLODTZIFFZBJ-SWLSCSKDSA-N 1 0 328.368 3.258 20 5 EGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000453295242 310269445 /nfs/dbraw/zinc/26/94/45/310269445.db2.gz XUUJPLVKSZVAOW-CABCVRRESA-N 1 0 347.459 3.139 20 5 EGBDRO C[C@@H](Cc1cnn(C)c1)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000453342429 310271988 /nfs/dbraw/zinc/27/19/88/310271988.db2.gz LXMWMBLAUBVXKE-SJCJKPOMSA-N 1 0 328.416 3.272 20 5 EGBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](C1CC1)C1CCC1 ZINC000453429727 310276731 /nfs/dbraw/zinc/27/67/31/310276731.db2.gz PYXDOZOGLWDHLW-KZULUSFZSA-N 1 0 331.416 3.480 20 5 EGBDRO C[N@H+](CCCCNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000454223219 310298039 /nfs/dbraw/zinc/29/80/39/310298039.db2.gz UKKMVMSTNYMUJA-UHFFFAOYSA-N 1 0 340.811 3.244 20 5 EGBDRO C[C@H](NC(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000454473403 310311604 /nfs/dbraw/zinc/31/16/04/310311604.db2.gz CHOGUEDWKSVKSI-KKUMJFAQSA-N 1 0 348.447 3.218 20 5 EGBDRO C[NH+](C)[C@H]1CCc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3)ccc21 ZINC000456260940 310395359 /nfs/dbraw/zinc/39/53/59/310395359.db2.gz IPVGICOHNGNLRO-KRWDZBQOSA-N 1 0 325.368 3.396 20 5 EGBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([NH3+])[C@H]1C ZINC000457360143 310449579 /nfs/dbraw/zinc/44/95/79/310449579.db2.gz SSAFBNJVTDPXTL-BXUZGUMPSA-N 1 0 337.445 3.047 20 5 EGBDRO C[C@H](NC(=O)C1C[NH+](C2CCCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000457810924 310473496 /nfs/dbraw/zinc/47/34/96/310473496.db2.gz HVLVTEKIHOTDKA-ZDUSSCGKSA-N 1 0 331.416 3.037 20 5 EGBDRO Cc1cc(NC2CC[NH+](CCOC(C)C)CC2)c(F)cc1[N+](=O)[O-] ZINC000461967287 310594098 /nfs/dbraw/zinc/59/40/98/310594098.db2.gz QLGHMHBCSKNIEL-UHFFFAOYSA-N 1 0 339.411 3.344 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H](CO)Cc1ccc(C)cc1 ZINC000468610031 310691173 /nfs/dbraw/zinc/69/11/73/310691173.db2.gz RSMYNXWSCKQHPU-XLCPLWEUSA-N 1 0 340.423 3.500 20 5 EGBDRO Cc1ccc(CCC2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000478426602 310858898 /nfs/dbraw/zinc/85/88/98/310858898.db2.gz FOTXHCQEZLCRCC-UHFFFAOYSA-N 1 0 342.443 3.445 20 5 EGBDRO CSc1ccccc1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000488710588 311075797 /nfs/dbraw/zinc/07/57/97/311075797.db2.gz FVMAVWPFDNLDNI-UHFFFAOYSA-N 1 0 332.429 3.350 20 5 EGBDRO COc1ccc(-c2ccc(CNC[C@H](C)C[NH+](C)C)o2)c([N+](=O)[O-])c1 ZINC000491548734 311184145 /nfs/dbraw/zinc/18/41/45/311184145.db2.gz SSXCRAOPDQXWMJ-ZDUSSCGKSA-N 1 0 347.415 3.151 20 5 EGBDRO CCOc1cc(CN(C)[C@H]2CC[N@H+](CC)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000492630531 311273721 /nfs/dbraw/zinc/27/37/21/311273721.db2.gz NHUUOTMPRKVRKL-HOCLYGCPSA-N 1 0 335.448 3.298 20 5 EGBDRO C[C@H](CNC(=O)OC(C)(C)C)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000495424373 311562551 /nfs/dbraw/zinc/56/25/51/311562551.db2.gz LMOGNHQXCQZWED-FNOHHLHBSA-N 1 0 335.404 3.111 20 5 EGBDRO COC(=O)N1CCC[C@H]([C@@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000495560868 311578464 /nfs/dbraw/zinc/57/84/64/311578464.db2.gz SLAWSOJWMNZAQM-GUTXKFCHSA-N 1 0 335.404 3.112 20 5 EGBDRO Cc1cc(C(=O)NCC2([NH+](C)C)CCCCCC2)cc([N+](=O)[O-])c1 ZINC000497702224 311866208 /nfs/dbraw/zinc/86/62/08/311866208.db2.gz QPQIPDBSROKGID-UHFFFAOYSA-N 1 0 333.432 3.288 20 5 EGBDRO COC(=O)[C@]1(C)C[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000504559718 312008259 /nfs/dbraw/zinc/00/82/59/312008259.db2.gz BRJBJXSSGDFGRA-FZKQIMNGSA-N 1 0 334.416 3.349 20 5 EGBDRO Cc1ccccc1C[NH+]1CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000505634531 312029003 /nfs/dbraw/zinc/02/90/03/312029003.db2.gz HWTUCYKYSQQUCZ-UHFFFAOYSA-N 1 0 343.402 3.360 20 5 EGBDRO COc1ccc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc1C ZINC000510504619 312141731 /nfs/dbraw/zinc/14/17/31/312141731.db2.gz ZVSPMYXRMWENOG-UHFFFAOYSA-N 1 0 341.411 3.234 20 5 EGBDRO C[C@@H]1C[C@@H](CCNc2ccc([N+](=O)[O-])cn2)C[N@@H+]1Cc1ccccc1 ZINC000511599248 312164120 /nfs/dbraw/zinc/16/41/20/312164120.db2.gz OILMZWIORIUGBR-NVXWUHKLSA-N 1 0 340.427 3.124 20 5 EGBDRO Cc1ccc(C[C@H](CO)[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1C ZINC000514799736 312246427 /nfs/dbraw/zinc/24/64/27/312246427.db2.gz XRUKPYTXYOPADS-VQIMIIECSA-N 1 0 340.423 3.392 20 5 EGBDRO C[C@@H](C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000515430653 312282549 /nfs/dbraw/zinc/28/25/49/312282549.db2.gz GGJFLAQTCXWUNY-KFWWJZLASA-N 1 0 345.443 3.347 20 5 EGBDRO Cc1cn2c(n1)[C@H](C[NH2+][C@H]1CCc3c1cccc3[N+](=O)[O-])CCC2 ZINC000515433167 312283067 /nfs/dbraw/zinc/28/30/67/312283067.db2.gz QAZYTJJVWUPYKK-BBRMVZONSA-N 1 0 326.400 3.254 20 5 EGBDRO COc1cc(C[NH2+][C@@H]2CC[C@@H](F)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000519669763 312469396 /nfs/dbraw/zinc/46/93/96/312469396.db2.gz MDLDRFALFZDXNR-GHMZBOCLSA-N 1 0 348.321 3.228 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](O)COc1ccccc1 ZINC000527038636 312820206 /nfs/dbraw/zinc/82/02/06/312820206.db2.gz LFUNKOMXAOOPII-QWSHFYNQSA-N 1 0 342.395 3.028 20 5 EGBDRO CCC[C@H]([NH2+]C[C@H](CO)Cc1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000532279160 313778548 /nfs/dbraw/zinc/77/85/48/313778548.db2.gz ASUWHSYZPDXKMD-KDOFPFPSSA-N 1 0 332.400 3.470 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](c2nccn2C)C1 ZINC000535312482 314040292 /nfs/dbraw/zinc/04/02/92/314040292.db2.gz GNHRSDPLURTUDF-AWEZNQCLSA-N 1 0 344.415 3.105 20 5 EGBDRO COc1nc2ccccc2cc1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000535721469 314063280 /nfs/dbraw/zinc/06/32/80/314063280.db2.gz VQXKHISZJSGMRX-UHFFFAOYSA-N 1 0 337.379 3.484 20 5 EGBDRO CC[C@@H]1CC[C@@H](C)[N@@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000536745066 314142761 /nfs/dbraw/zinc/14/27/61/314142761.db2.gz CUTKZKAPXYFLAT-ZYHUDNBSSA-N 1 0 325.796 3.450 20 5 EGBDRO CC(C)[C@@H]1C[C@H]([NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000537935573 314217345 /nfs/dbraw/zinc/21/73/45/314217345.db2.gz WENZSIFEYHRPFB-UNEWFSDZSA-N 1 0 349.431 3.105 20 5 EGBDRO C[C@@H]([NH2+]CCCn1c(=O)[nH]c2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000538179344 314230995 /nfs/dbraw/zinc/23/09/95/314230995.db2.gz GQHXSEWWVOEATA-CYBMUJFWSA-N 1 0 340.383 3.391 20 5 EGBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC12CCC(CC1)C2 ZINC000539051432 314292783 /nfs/dbraw/zinc/29/27/83/314292783.db2.gz ITNJMJAPYVGMLJ-VNSJNIRKSA-N 1 0 331.416 3.482 20 5 EGBDRO Cc1cccc(C)c1[C@@H](C)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000546932995 314866710 /nfs/dbraw/zinc/86/67/10/314866710.db2.gz WETNYSQXMXGPPS-CVEARBPZSA-N 1 0 344.411 3.302 20 5 EGBDRO COCC[N@@H+]1CC[C@@H](Nc2cc(C)c(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000549489484 315094230 /nfs/dbraw/zinc/09/42/30/315094230.db2.gz ASOFNADZJWSMLB-LLVKDONJSA-N 1 0 347.337 3.055 20 5 EGBDRO C[C@H](C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)Cn1cccn1 ZINC000549550478 315096321 /nfs/dbraw/zinc/09/63/21/315096321.db2.gz IQFNDWGFXAMPFC-CQSZACIVSA-N 1 0 340.383 3.477 20 5 EGBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2CC[C@H]3CCCC[C@@H]3C2)c1 ZINC000559238914 315622646 /nfs/dbraw/zinc/62/26/46/315622646.db2.gz LETXKEOPPFMMAD-YFHUEUNASA-N 1 0 348.443 3.283 20 5 EGBDRO Cc1ccc([C@@H](C)C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000562995708 315937727 /nfs/dbraw/zinc/93/77/27/315937727.db2.gz LTFJREUBBFVUEW-DOTOQJQBSA-N 1 0 344.411 3.036 20 5 EGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCN1CCc2ccccc2C1 ZINC000563417948 316018542 /nfs/dbraw/zinc/01/85/42/316018542.db2.gz NCIZPVUAHKQUDN-LJQANCHMSA-N 1 0 337.423 3.230 20 5 EGBDRO COc1ccc(OC)c(CC[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000565218419 316292587 /nfs/dbraw/zinc/29/25/87/316292587.db2.gz QNADYXGSNSMSCC-KRWDZBQOSA-N 1 0 342.395 3.432 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000565724264 316362149 /nfs/dbraw/zinc/36/21/49/316362149.db2.gz MUCQFLMSHFMROA-UHFFFAOYSA-N 1 0 327.384 3.260 20 5 EGBDRO C[C@@H](CCNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000567535605 316631279 /nfs/dbraw/zinc/63/12/79/316631279.db2.gz MMWAOODXPIBGGO-GJZGRUSLSA-N 1 0 333.432 3.079 20 5 EGBDRO Cc1ccccc1C[C@@H](CO)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000570744653 317101136 /nfs/dbraw/zinc/10/11/36/317101136.db2.gz NTDIFHUYFBUITE-RDJZCZTQSA-N 1 0 328.412 3.466 20 5 EGBDRO C[C@@H]1C[C@H](N[C@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)CC[N@@H+]1C ZINC000571171707 317161714 /nfs/dbraw/zinc/16/17/14/317161714.db2.gz URKNIHABDDWZDL-MPKXVKKWSA-N 1 0 331.338 3.271 20 5 EGBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1[C@@H](C)C[NH+](CC)C[C@@H]1C ZINC000572917201 317408883 /nfs/dbraw/zinc/40/88/83/317408883.db2.gz BYAXZFNJNZFIRB-YQQAZPJKSA-N 1 0 347.459 3.105 20 5 EGBDRO Cc1c([C@@H](C)[NH2+]CCCN(C)CC(F)(F)F)cccc1[N+](=O)[O-] ZINC000156383801 455111870 /nfs/dbraw/zinc/11/18/70/455111870.db2.gz RMNOIQKLCZJZEA-GFCCVEGCSA-N 1 0 333.354 3.438 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@@H](CC(C)C)[NH+](C)C ZINC000179566287 323392846 /nfs/dbraw/zinc/39/28/46/323392846.db2.gz XWPGILHQOCXBLL-OAHLLOKOSA-N 1 0 335.448 3.226 20 5 EGBDRO CCN(C(=O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000180435404 323439496 /nfs/dbraw/zinc/43/94/96/323439496.db2.gz SHBZADFEZNEIIG-AWEZNQCLSA-N 1 0 333.432 3.427 20 5 EGBDRO C[C@H](C1CC1)N(C(=O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000180430549 323439788 /nfs/dbraw/zinc/43/97/88/323439788.db2.gz ODPKQSWAWZFKPV-QWHCGFSZSA-N 1 0 331.416 3.035 20 5 EGBDRO CC[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(C)cc1 ZINC000182177617 323530787 /nfs/dbraw/zinc/53/07/87/323530787.db2.gz HGEHSZMUGAIOTH-IRXDYDNUSA-N 1 0 344.411 3.384 20 5 EGBDRO CC[C@@H]([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CCCO1 ZINC000182302607 323541625 /nfs/dbraw/zinc/54/16/25/323541625.db2.gz NHFMXOYHCIBRBB-HZPDHXFCSA-N 1 0 331.372 3.297 20 5 EGBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C1(c2ccccc2)CCCC1 ZINC000185961324 323718773 /nfs/dbraw/zinc/71/87/73/323718773.db2.gz QXBXNNABSSAJJF-HNNXBMFYSA-N 1 0 328.416 3.281 20 5 EGBDRO CC(C)(C)OC(=O)NC(C)(C)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000383629488 324256550 /nfs/dbraw/zinc/25/65/50/324256550.db2.gz WXCJUMUYGMXCOZ-UHFFFAOYSA-N 1 0 337.420 3.030 20 5 EGBDRO CCC(CC)Nc1cc[nH+]cc1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000578100252 324916919 /nfs/dbraw/zinc/91/69/19/324916919.db2.gz DTHBCZRIPGUXEX-UHFFFAOYSA-N 1 0 342.399 3.193 20 5 EGBDRO Cc1cc(C)cc(CC[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000578499308 324977829 /nfs/dbraw/zinc/97/78/29/324977829.db2.gz IIMGZWWIKBODRH-UHFFFAOYSA-N 1 0 341.411 3.373 20 5 EGBDRO CCCC[NH+]1CCC(NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000578829211 325023360 /nfs/dbraw/zinc/02/33/60/325023360.db2.gz ZQPQMZNZAPDQDD-AWEZNQCLSA-N 1 0 333.432 3.079 20 5 EGBDRO CCCC[C@@H](C)[N@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000580501294 325256892 /nfs/dbraw/zinc/25/68/92/325256892.db2.gz WOFHZHMNKRCYKQ-CYBMUJFWSA-N 1 0 335.404 3.403 20 5 EGBDRO Cc1ccccc1[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C(C)C ZINC000183202995 455250403 /nfs/dbraw/zinc/25/04/03/455250403.db2.gz YOYCNRYSDYAMTN-GOSISDBHSA-N 1 0 341.411 3.489 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@H]2CCC[C@@H]2CCO)o1 ZINC000189941284 455257461 /nfs/dbraw/zinc/25/74/61/455257461.db2.gz AMTQOOAEOLSWJW-CJNGLKHVSA-N 1 0 330.384 3.496 20 5 EGBDRO O=[N+]([O-])c1ccc(OCCC[N@H+](Cc2ccccn2)C2CC2)cc1 ZINC000180873945 455259553 /nfs/dbraw/zinc/25/95/53/455259553.db2.gz ZYNBZOIBRCLTFW-UHFFFAOYSA-N 1 0 327.384 3.423 20 5 EGBDRO CC(=O)Nc1cccc(OCC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000173383292 455276331 /nfs/dbraw/zinc/27/63/31/455276331.db2.gz RHVAAZMDUMMNQF-CYBMUJFWSA-N 1 0 343.383 3.283 20 5 EGBDRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000010283915 453283446 /nfs/dbraw/zinc/28/34/46/453283446.db2.gz FATASLHDYTWKAK-UHFFFAOYSA-N 1 0 341.411 3.367 20 5 EGBDRO [NH3+]C[C@@H]1CN(C/C=C/c2ccccc2[N+](=O)[O-])CC[C@H]1C(F)(F)F ZINC000600778216 460599426 /nfs/dbraw/zinc/59/94/26/460599426.db2.gz WSZULTBBCXOUBI-KBUVRSHFSA-N 1 0 343.349 3.067 20 5 EGBDRO COc1ccc([C@H](CNc2ncccc2[N+](=O)[O-])[NH+]2CCCC2)cc1 ZINC000015168829 453560871 /nfs/dbraw/zinc/56/08/71/453560871.db2.gz CDKLFXWDWWPSEN-KRWDZBQOSA-N 1 0 342.399 3.247 20 5 EGBDRO Cc1cc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000017702277 453637031 /nfs/dbraw/zinc/63/70/31/453637031.db2.gz CVIMFYGQOJQTIR-MRXNPFEDSA-N 1 0 343.383 3.063 20 5 EGBDRO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000023738335 453716542 /nfs/dbraw/zinc/71/65/42/453716542.db2.gz JRQBGIGUAGWAJJ-SFHVURJKSA-N 1 0 339.395 3.162 20 5 EGBDRO CCCC[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000026450443 453800018 /nfs/dbraw/zinc/80/00/18/453800018.db2.gz NEQBTKUCWYDTAO-UHFFFAOYSA-N 1 0 325.796 3.451 20 5 EGBDRO CC(C)[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000027369503 453815976 /nfs/dbraw/zinc/81/59/76/453815976.db2.gz AAKGUOQNNAWETM-QGZVFWFLSA-N 1 0 345.374 3.320 20 5 EGBDRO C[C@@H](C1CC1)[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000031654245 453851007 /nfs/dbraw/zinc/85/10/07/453851007.db2.gz RMIKUEWVSIPDSP-JTQLQIEISA-N 1 0 337.807 3.450 20 5 EGBDRO O=[N+]([O-])c1ccccc1OCC[NH2+]C1(c2nccs2)CCCC1 ZINC000081577813 453890614 /nfs/dbraw/zinc/89/06/14/453890614.db2.gz SPTCNDVEAGAAMO-UHFFFAOYSA-N 1 0 333.413 3.489 20 5 EGBDRO Cc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2C)[NH+](C)C)cc1 ZINC000067266893 453915846 /nfs/dbraw/zinc/91/58/46/453915846.db2.gz BUEPQWBXGHXNKZ-SFHVURJKSA-N 1 0 341.411 3.244 20 5 EGBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)[C@@H](CCO)c1ccccc1 ZINC000075899694 453937383 /nfs/dbraw/zinc/93/73/83/453937383.db2.gz RQYFVUYPYKKUAY-SFHVURJKSA-N 1 0 330.384 3.029 20 5 EGBDRO O=C(Cc1ccccc1[N+](=O)[O-])Nc1cccc(C[NH+]2CCCC2)c1 ZINC000040512032 453951507 /nfs/dbraw/zinc/95/15/07/453951507.db2.gz LGDXCHBITFKPEP-UHFFFAOYSA-N 1 0 339.395 3.372 20 5 EGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](c3nnc4ccccn43)C2)cc1 ZINC000076396389 453997596 /nfs/dbraw/zinc/99/75/96/453997596.db2.gz NPOHKSWRKMYOKH-HNNXBMFYSA-N 1 0 337.383 3.017 20 5 EGBDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1c1ncccc1[N+](=O)[O-] ZINC000077236650 454080502 /nfs/dbraw/zinc/08/05/02/454080502.db2.gz IXGIFYQAXPJKGF-HNNXBMFYSA-N 1 0 326.400 3.091 20 5 EGBDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000057156460 454107454 /nfs/dbraw/zinc/10/74/54/454107454.db2.gz AAXMFBNCINGPJH-GFCCVEGCSA-N 1 0 341.839 3.489 20 5 EGBDRO C[C@H](CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000077511025 454115797 /nfs/dbraw/zinc/11/57/97/454115797.db2.gz NSXDYGSGQZYWIN-GFCCVEGCSA-N 1 0 339.823 3.100 20 5 EGBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000058268299 454176050 /nfs/dbraw/zinc/17/60/50/454176050.db2.gz YJWZLCFGMSIETQ-HLLBOEOZSA-N 1 0 345.443 3.001 20 5 EGBDRO CN(C(=O)CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccccc1 ZINC000130347050 454191767 /nfs/dbraw/zinc/19/17/67/454191767.db2.gz UUKIXPREPNQLGM-UHFFFAOYSA-N 1 0 339.395 3.222 20 5 EGBDRO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000130563880 454206398 /nfs/dbraw/zinc/20/63/98/454206398.db2.gz AFAFGJWZFZXOCU-INIZCTEOSA-N 1 0 330.388 3.151 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCN1C[C@@H](C)O[C@H](C)C1 ZINC000119917408 454235959 /nfs/dbraw/zinc/23/59/59/454235959.db2.gz BLGQPBMDCMWURF-OAGGEKHMSA-N 1 0 335.448 3.053 20 5 EGBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000046426970 454250968 /nfs/dbraw/zinc/25/09/68/454250968.db2.gz HJIGCCIPJIWYIJ-OKILXGFUSA-N 1 0 334.420 3.084 20 5 EGBDRO CC(=O)c1ccc(N2CC[C@@H](C[NH+]3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000078424941 454251514 /nfs/dbraw/zinc/25/15/14/454251514.db2.gz JMINOVRSMRHXQS-HNNXBMFYSA-N 1 0 331.416 3.110 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])cc1OC ZINC000120078763 454256014 /nfs/dbraw/zinc/25/60/14/454256014.db2.gz DRVOWOGNJPEFLW-ZDUSSCGKSA-N 1 0 330.384 3.333 20 5 EGBDRO O=C1[C@@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCN1C1CCCCC1 ZINC000131593866 454267338 /nfs/dbraw/zinc/26/73/38/454267338.db2.gz MWMMRXFJXTWRNS-JKNJVXJCSA-N 1 0 343.427 3.131 20 5 EGBDRO Cc1cccc(C(=O)N[C@@H](C)C[N@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000182086101 455432273 /nfs/dbraw/zinc/43/22/73/455432273.db2.gz NTDQHGYGZDFXRO-HNNXBMFYSA-N 1 0 341.411 3.154 20 5 EGBDRO CC[NH+](CC)[C@H](CNC(=O)c1ccc([N+](=O)[O-])o1)c1ccsc1 ZINC000046940395 454304843 /nfs/dbraw/zinc/30/48/43/454304843.db2.gz CQZPWCYEBXTSHG-GFCCVEGCSA-N 1 0 337.401 3.062 20 5 EGBDRO COc1ccc(C[NH2+]C2CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000061003414 454324004 /nfs/dbraw/zinc/32/40/04/454324004.db2.gz JYIBZYGYIWCXNT-UHFFFAOYSA-N 1 0 328.368 3.434 20 5 EGBDRO COc1cccc([C@H](CNc2cc(C)c([N+](=O)[O-])cn2)[NH+](C)C)c1 ZINC000073000201 454379669 /nfs/dbraw/zinc/37/96/69/454379669.db2.gz LUJLZOLYKBPIMR-INIZCTEOSA-N 1 0 330.388 3.022 20 5 EGBDRO CCc1nn(C)c(NCC[C@H](C)[N@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000091731040 454463516 /nfs/dbraw/zinc/46/35/16/454463516.db2.gz GQBRHBVBZKUCKE-AWEZNQCLSA-N 1 0 345.447 3.213 20 5 EGBDRO O=[N+]([O-])c1ccccc1CN1CC[NH+](CCc2cccs2)CC1 ZINC000064352203 454475159 /nfs/dbraw/zinc/47/51/59/454475159.db2.gz HBBOLPYGOQWCIM-UHFFFAOYSA-N 1 0 331.441 3.017 20 5 EGBDRO CC[NH+](CC)[C@@H](CNc1c([N+](=O)[O-])c(C)nn1C)c1ccsc1 ZINC000079900297 454496050 /nfs/dbraw/zinc/49/60/50/454496050.db2.gz GYQQKLAIFQTBTQ-ZDUSSCGKSA-N 1 0 337.449 3.193 20 5 EGBDRO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2C2CCC2)c([N+](=O)[O-])c1 ZINC000102926433 454526899 /nfs/dbraw/zinc/52/68/99/454526899.db2.gz NDFXYUZEDXAWGM-MRXNPFEDSA-N 1 0 347.415 3.197 20 5 EGBDRO COc1ccc(C[N@H+](C)CCOc2ccccc2C)cc1[N+](=O)[O-] ZINC000051128591 454611200 /nfs/dbraw/zinc/61/12/00/454611200.db2.gz ORDPCLUIDWSNFK-UHFFFAOYSA-N 1 0 330.384 3.423 20 5 EGBDRO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000092730684 454617380 /nfs/dbraw/zinc/61/73/80/454617380.db2.gz OGVNOEVOAWXODF-NVXWUHKLSA-N 1 0 347.459 3.420 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000080961338 454659454 /nfs/dbraw/zinc/65/94/54/454659454.db2.gz BERUQNLXTMKSIX-AWEZNQCLSA-N 1 0 344.415 3.485 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]CCc2cn3c(n2)CCCC3)cc1[N+](=O)[O-] ZINC000152768851 454723846 /nfs/dbraw/zinc/72/38/46/454723846.db2.gz NXISQJRPJPDGQM-AWEZNQCLSA-N 1 0 328.416 3.329 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000162471838 454778001 /nfs/dbraw/zinc/77/80/01/454778001.db2.gz MOLARRSVJLJTSM-QGZVFWFLSA-N 1 0 342.399 3.328 20 5 EGBDRO CCC[C@@H]([NH2+]CCN1CCC(OC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000163692985 454861244 /nfs/dbraw/zinc/86/12/44/454861244.db2.gz XBRVWDNTNPZFTD-GOSISDBHSA-N 1 0 335.448 3.136 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000191371676 455480888 /nfs/dbraw/zinc/48/08/88/455480888.db2.gz SVXBQQZKDDNZGB-CYBMUJFWSA-N 1 0 336.436 3.309 20 5 EGBDRO Cc1c(C[NH+]2CCC(OC[C@H]3CCCCO3)CC2)cccc1[N+](=O)[O-] ZINC000177581658 454880171 /nfs/dbraw/zinc/88/01/71/454880171.db2.gz JNKNLRSQTXXTJQ-GOSISDBHSA-N 1 0 348.443 3.453 20 5 EGBDRO Cc1c(C[NH+]2CCC(OC[C@@H]3CCCCO3)CC2)cccc1[N+](=O)[O-] ZINC000177581642 454880202 /nfs/dbraw/zinc/88/02/02/454880202.db2.gz JNKNLRSQTXXTJQ-SFHVURJKSA-N 1 0 348.443 3.453 20 5 EGBDRO CSCC[C@@H](C)[N@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000126273396 454882182 /nfs/dbraw/zinc/88/21/82/454882182.db2.gz SXGBWXGSKMBTNH-LLVKDONJSA-N 1 0 336.417 3.218 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H](c2ccccc2)c2ccccn2)c1 ZINC000154477557 454900445 /nfs/dbraw/zinc/90/04/45/454900445.db2.gz DNDOONGGQGWURY-PMACEKPBSA-N 1 0 349.390 3.402 20 5 EGBDRO C[C@@H]1C[C@@H](N(C)c2ncccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000150875418 454906263 /nfs/dbraw/zinc/90/62/63/454906263.db2.gz JEGNWJXQZKLCSR-WBVHZDCISA-N 1 0 340.427 3.479 20 5 EGBDRO C[C@H]([NH2+][C@@H]1CCN(c2ncccc2F)C1)c1cccc([N+](=O)[O-])c1 ZINC000168111292 454925231 /nfs/dbraw/zinc/92/52/31/454925231.db2.gz KDMLMJUCCRBEKC-GXTWGEPZSA-N 1 0 330.363 3.058 20 5 EGBDRO CC[C@H]([NH2+][C@H]1CCN(c2ncccc2F)C1)c1cccc([N+](=O)[O-])c1 ZINC000168198539 454925989 /nfs/dbraw/zinc/92/59/89/454925989.db2.gz KHKDWWCGXWFYAF-YOEHRIQHSA-N 1 0 344.390 3.449 20 5 EGBDRO CC[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)Cc1ccccc1C ZINC000127001186 454932251 /nfs/dbraw/zinc/93/22/51/454932251.db2.gz RHXQNDMOOFDBLZ-UHFFFAOYSA-N 1 0 341.411 3.388 20 5 EGBDRO CC[NH2+]CCNC(=O)c1ccc(SCCC(C)C)c([N+](=O)[O-])c1 ZINC000151373783 454976142 /nfs/dbraw/zinc/97/61/42/454976142.db2.gz CWXCBFAKHCETSV-UHFFFAOYSA-N 1 0 339.461 3.072 20 5 EGBDRO CN(C[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)C(=O)OC(C)(C)C ZINC000170917604 454998198 /nfs/dbraw/zinc/99/81/98/454998198.db2.gz XCWREZXMMPQWOP-HNNXBMFYSA-N 1 0 349.431 3.284 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000127872639 455005486 /nfs/dbraw/zinc/00/54/86/455005486.db2.gz FNSUUDFJHAMQKN-GXTWGEPZSA-N 1 0 348.447 3.454 20 5 EGBDRO CCC[C@H]([NH2+]C[C@H](C)N1CC[NH+](CC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000155664721 455028228 /nfs/dbraw/zinc/02/82/28/455028228.db2.gz QNUXLMBBRGYVHH-LPHOPBHVSA-N 1 0 348.491 3.052 20 5 EGBDRO COc1ccc([C@H](C)[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)cc1OC ZINC000128556803 455067714 /nfs/dbraw/zinc/06/77/14/455067714.db2.gz HZLWSERFBFBZBJ-LBPRGKRZSA-N 1 0 346.383 3.471 20 5 EGBDRO CC(C)[NH2+]C1CCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000179838152 455087571 /nfs/dbraw/zinc/08/75/71/455087571.db2.gz BXJLSYHQEMODAT-UHFFFAOYSA-N 1 0 343.374 3.159 20 5 EGBDRO C[NH+]1CCC(CCNC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 ZINC000156355124 455108490 /nfs/dbraw/zinc/10/84/90/455108490.db2.gz WCHSZUFJPPBOPA-UHFFFAOYSA-N 1 0 347.459 3.354 20 5 EGBDRO Cc1cc(NCC2CCN(c3cc[nH+]cc3)CC2)ncc1[N+](=O)[O-] ZINC000180043749 455121859 /nfs/dbraw/zinc/12/18/59/455121859.db2.gz ZNXGWVPUPXJXII-UHFFFAOYSA-N 1 0 327.388 3.022 20 5 EGBDRO C[C@H]([NH2+]CC(=O)Nc1ccc(F)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000180407578 455164890 /nfs/dbraw/zinc/16/48/90/455164890.db2.gz GTGLALCJXSUWTP-JTQLQIEISA-N 1 0 335.310 3.162 20 5 EGBDRO Cc1ccc(CNC(=O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1F ZINC000180434671 455168989 /nfs/dbraw/zinc/16/89/89/455168989.db2.gz BGJIGFQGYLOYCN-CYBMUJFWSA-N 1 0 345.374 3.009 20 5 EGBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)NCC1CCCCC1 ZINC000180452360 455172976 /nfs/dbraw/zinc/17/29/76/455172976.db2.gz ARBMUOBQXZSMLD-UONOGXRCSA-N 1 0 333.432 3.330 20 5 EGBDRO CC(=O)Nc1cccc([C@@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000237428768 455184807 /nfs/dbraw/zinc/18/48/07/455184807.db2.gz XFTWZJIAMCZDLT-CYBMUJFWSA-N 1 0 327.384 3.447 20 5 EGBDRO C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@@H]1CCC[C@@H]1O ZINC000180530731 455190373 /nfs/dbraw/zinc/19/03/73/455190373.db2.gz GOPHDWWIMWALMF-YOEHRIQHSA-N 1 0 330.384 3.448 20 5 EGBDRO Cn1cc(C[NH2+]Cc2ccsc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237667715 455205594 /nfs/dbraw/zinc/20/55/94/455205594.db2.gz ADTVUGHQIVRKCV-UHFFFAOYSA-N 1 0 328.397 3.347 20 5 EGBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)C[C@H]1CCCOC1 ZINC000245481703 455311667 /nfs/dbraw/zinc/31/16/67/455311667.db2.gz CQYDNVCFUIRKDQ-QWHCGFSZSA-N 1 0 346.387 3.064 20 5 EGBDRO CCC[C@@H](NC[C@H](O)C[NH+]1CCC(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000158937677 455338585 /nfs/dbraw/zinc/33/85/85/455338585.db2.gz KIVKAFADOIDNGN-RBUKOAKNSA-N 1 0 349.475 3.118 20 5 EGBDRO CC[C@H]([NH2+]CC(=O)N1C[C@H](C)C[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000245910383 455396759 /nfs/dbraw/zinc/39/67/59/455396759.db2.gz VGGDWMJWMDKCDA-CPUCHLNUSA-N 1 0 333.432 3.140 20 5 EGBDRO CCC[C@@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000182178055 455453436 /nfs/dbraw/zinc/45/34/36/455453436.db2.gz KRXORWYVDMDTML-IAGOWNOFSA-N 1 0 344.411 3.466 20 5 EGBDRO O=[N+]([O-])c1ccccc1N1CC[NH+](Cc2ccc3ncccc3c2)CC1 ZINC000160431203 455458026 /nfs/dbraw/zinc/45/80/26/455458026.db2.gz FXJCWNIWKLESTC-UHFFFAOYSA-N 1 0 348.406 3.465 20 5 EGBDRO CC[C@@H](C)C[N@H+](CC)CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000160592388 455478276 /nfs/dbraw/zinc/47/82/76/455478276.db2.gz KBFAKFSMIRAHJX-CYBMUJFWSA-N 1 0 337.420 3.300 20 5 EGBDRO Cc1ccccc1C[C@@H](CO)[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000191562406 455496801 /nfs/dbraw/zinc/49/68/01/455496801.db2.gz KWEGYZOBMNMVRG-APWZRJJASA-N 1 0 342.439 3.418 20 5 EGBDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000267955134 455569504 /nfs/dbraw/zinc/56/95/04/455569504.db2.gz ISJOBXCEUIFKNN-OAHLLOKOSA-N 1 0 335.448 3.154 20 5 EGBDRO C[C@H]([NH2+]C[C@H]1CCN(c2ccccc2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283995639 455621791 /nfs/dbraw/zinc/62/17/91/455621791.db2.gz HNRCYTFGIGVCMF-LSDHHAIUSA-N 1 0 340.427 3.354 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CC3(CO)CCCC3)o2)cc1 ZINC000185803631 455625292 /nfs/dbraw/zinc/62/52/92/455625292.db2.gz LWLACPDYXDETOJ-UHFFFAOYSA-N 1 0 330.384 3.497 20 5 EGBDRO O=[N+]([O-])c1ccc(NCC2CC[NH+](C3CC3)CC2)c2ncccc12 ZINC000277683096 455634015 /nfs/dbraw/zinc/63/40/15/455634015.db2.gz FSNMZZAAWJBFCF-UHFFFAOYSA-N 1 0 326.400 3.429 20 5 EGBDRO COCC1([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCC1 ZINC000284154442 455643145 /nfs/dbraw/zinc/64/31/45/455643145.db2.gz VXEFAGXMHAZFLG-UHFFFAOYSA-N 1 0 333.413 3.377 20 5 EGBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000292511353 455683010 /nfs/dbraw/zinc/68/30/10/455683010.db2.gz BAZCKOCCOXEIMM-NSHDSACASA-N 1 0 327.812 3.098 20 5 EGBDRO CN(C)C(=O)C1(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCCC1 ZINC000192861350 455708341 /nfs/dbraw/zinc/70/83/41/455708341.db2.gz LXLAUKJOHISUKI-KRWDZBQOSA-N 1 0 345.443 3.210 20 5 EGBDRO C[NH+](C)CC1(CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])CCCC1 ZINC000186179777 455711761 /nfs/dbraw/zinc/71/17/61/455711761.db2.gz BAXRUBUVRXSMDA-UHFFFAOYSA-N 1 0 339.823 3.100 20 5 EGBDRO Cc1c([C@H](C)[NH2+][C@H]2CCC[C@H](C(=O)N(C)C)C2)cccc1[N+](=O)[O-] ZINC000268883573 455716777 /nfs/dbraw/zinc/71/67/77/455716777.db2.gz INSCQYFGEVXIMA-KKUMJFAQSA-N 1 0 333.432 3.201 20 5 EGBDRO Cc1c(C[NH2+][C@@H](C)c2ccc([S@](C)=O)cc2)cccc1[N+](=O)[O-] ZINC000271768181 455752716 /nfs/dbraw/zinc/75/27/16/455752716.db2.gz DSMOARKMQZGWFG-NPMABZOXSA-N 1 0 332.425 3.491 20 5 EGBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000194059065 455797163 /nfs/dbraw/zinc/79/71/63/455797163.db2.gz VPWNEQCJSRZNIB-LJISPDSOSA-N 1 0 333.432 3.138 20 5 EGBDRO Cc1cccc(C(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000187185733 455878850 /nfs/dbraw/zinc/87/88/50/455878850.db2.gz BVGUPXZKDJLUFQ-KSSFIOAISA-N 1 0 341.411 3.324 20 5 EGBDRO Cc1cc(C(=O)N(C)CCC[N@H+](C)Cc2ccco2)cc([N+](=O)[O-])c1 ZINC000285938746 455946301 /nfs/dbraw/zinc/94/63/01/455946301.db2.gz VWJIFVDRARPAIZ-UHFFFAOYSA-N 1 0 345.399 3.090 20 5 EGBDRO O=[N+]([O-])c1cc2c(ncnc2N2CC[NH+](C3CCCCC3)CC2)s1 ZINC000286052082 455967910 /nfs/dbraw/zinc/96/79/10/455967910.db2.gz AYFKXLQIYMCZEF-UHFFFAOYSA-N 1 0 347.444 3.054 20 5 EGBDRO O=[N+]([O-])c1cnc(NCC2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000195510963 455973903 /nfs/dbraw/zinc/97/39/03/455973903.db2.gz OHPHYKZMXKXZIJ-UHFFFAOYSA-N 1 0 332.429 3.375 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCc3c(ncn3-c3ccccc3)C2)cc1 ZINC000272585342 456003251 /nfs/dbraw/zinc/00/32/51/456003251.db2.gz SJLVDIKWGDOXQP-UHFFFAOYSA-N 1 0 348.406 3.381 20 5 EGBDRO COc1ccc([C@H](C[NH+]2CCCC2)Nc2ncccc2[N+](=O)[O-])cc1 ZINC000272721061 456052167 /nfs/dbraw/zinc/05/21/67/456052167.db2.gz FFGZAGOQVCRYRH-INIZCTEOSA-N 1 0 342.399 3.247 20 5 EGBDRO O=[N+]([O-])c1ccc(CN2CCC[C@H]2[C@@H](O)C(F)(F)F)c(Cl)c1 ZINC000272757491 456062198 /nfs/dbraw/zinc/06/21/98/456062198.db2.gz BQVMKIBBOJAABY-NWDGAFQWSA-N 1 0 338.713 3.136 20 5 EGBDRO C[NH+](C)[C@H](CNc1ncc([N+](=O)[O-])cc1Cl)Cc1ccccc1 ZINC000301268216 456077025 /nfs/dbraw/zinc/07/70/25/456077025.db2.gz IRFGRSQIPQXMRX-ZDUSSCGKSA-N 1 0 334.807 3.228 20 5 EGBDRO COc1cc(C(=O)Nc2cccc(C[NH+](C)C)c2)cc([N+](=O)[O-])c1C ZINC000188530683 456080401 /nfs/dbraw/zinc/08/04/01/456080401.db2.gz ZJWQGTNJYPUEMB-UHFFFAOYSA-N 1 0 343.383 3.226 20 5 EGBDRO Cc1cc(N2CC[N@H+](Cc3ccccc3)C(C)(C)C2)ncc1[N+](=O)[O-] ZINC000301428419 456113494 /nfs/dbraw/zinc/11/34/94/456113494.db2.gz IMQJXDSYZMUFSV-UHFFFAOYSA-N 1 0 340.427 3.399 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000297150516 456133809 /nfs/dbraw/zinc/13/38/09/456133809.db2.gz KLWCZHYOSZJXMQ-UHFFFAOYSA-N 1 0 346.431 3.350 20 5 EGBDRO O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000281154904 456149877 /nfs/dbraw/zinc/14/98/77/456149877.db2.gz ZHCLNOLPUWGQOQ-OAHLLOKOSA-N 1 0 349.406 3.261 20 5 EGBDRO COCCOCc1ccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000289849693 456153719 /nfs/dbraw/zinc/15/37/19/456153719.db2.gz VESVYZBEXKLMTE-UHFFFAOYSA-N 1 0 330.384 3.048 20 5 EGBDRO C[C@@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCC1(F)F ZINC000289899492 456173421 /nfs/dbraw/zinc/17/34/21/456173421.db2.gz SIUZISGRUWUQIA-SNVBAGLBSA-N 1 0 345.321 3.040 20 5 EGBDRO Cc1nc(N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000297359189 456197815 /nfs/dbraw/zinc/19/78/15/456197815.db2.gz BZAUWNGIKNKJBT-BBRMVZONSA-N 1 0 341.415 3.016 20 5 EGBDRO CN(CC[N@H+](C)C1CCCCC1)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000301727393 456198872 /nfs/dbraw/zinc/19/88/72/456198872.db2.gz BENRULUSKNIPAL-UHFFFAOYSA-N 1 0 326.828 3.344 20 5 EGBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000301815204 456221640 /nfs/dbraw/zinc/22/16/40/456221640.db2.gz ZKYYZLGSCXGXOM-UHFFFAOYSA-N 1 0 332.448 3.391 20 5 EGBDRO C[NH+](C)CCCC1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000301871958 456238076 /nfs/dbraw/zinc/23/80/76/456238076.db2.gz DESDLHGHEFQOLT-UHFFFAOYSA-N 1 0 327.375 3.431 20 5 EGBDRO Cc1ccc(C(=O)Nc2ccc(CC[NH+](C)C)cc2)cc1[N+](=O)[O-] ZINC000263927654 456266240 /nfs/dbraw/zinc/26/62/40/456266240.db2.gz FYXWPJXARKIPLI-UHFFFAOYSA-N 1 0 327.384 3.260 20 5 EGBDRO CCOC1CC(CC[NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000189259299 456266183 /nfs/dbraw/zinc/26/61/83/456266183.db2.gz ZHLRLXPLBVHZDR-TUBUQKNSSA-N 1 0 349.431 3.107 20 5 EGBDRO CC[C@H]1CN([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCCO1 ZINC000281566639 456266866 /nfs/dbraw/zinc/26/68/66/456266866.db2.gz YQPOKKHFIUGZCP-WFASDCNBSA-N 1 0 346.387 3.207 20 5 EGBDRO Cc1cc(NC[C@](C)(O)c2ccco2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302172801 456306687 /nfs/dbraw/zinc/30/66/87/456306687.db2.gz MIHVQWPCAAYAFQ-KRWDZBQOSA-N 1 0 327.340 3.364 20 5 EGBDRO C[C@]1(CCCO)CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000290611076 456383142 /nfs/dbraw/zinc/38/31/42/456383142.db2.gz WOYUVLLTGSNFEQ-MRXNPFEDSA-N 1 0 344.358 3.323 20 5 EGBDRO C[C@H](CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)[N@@H+]1CCCC[C@@H]1C ZINC000343068189 456385255 /nfs/dbraw/zinc/38/52/55/456385255.db2.gz QUSGQHXIIDOIQX-QWHCGFSZSA-N 1 0 344.415 3.069 20 5 EGBDRO Cc1cc(N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c2cccc([N+](=O)[O-])c2n1 ZINC000302762960 456393774 /nfs/dbraw/zinc/39/37/74/456393774.db2.gz XUAXNMVCRFOCLZ-ZBFHGGJFSA-N 1 0 340.427 3.372 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(S(C)(=O)=O)cc2)cc1[N+](=O)[O-] ZINC000337598197 456412060 /nfs/dbraw/zinc/41/20/60/456412060.db2.gz QBRNANGGSPUWMX-CYBMUJFWSA-N 1 0 348.424 3.158 20 5 EGBDRO C[C@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC000298535086 456483756 /nfs/dbraw/zinc/48/37/56/456483756.db2.gz ZOUBVIRYNKDYMW-NWDGAFQWSA-N 1 0 339.823 3.098 20 5 EGBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000340493053 456490881 /nfs/dbraw/zinc/49/08/81/456490881.db2.gz POYJDMIYOOCVFF-GUTXKFCHSA-N 1 0 349.406 3.211 20 5 EGBDRO C[C@]1(CO)CCC[C@H]1[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000304316162 456505491 /nfs/dbraw/zinc/50/54/91/456505491.db2.gz LFIKBDAGTGHGRB-NVXWUHKLSA-N 1 0 347.440 3.359 20 5 EGBDRO CO[C@H]1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H](C)C1 ZINC000282421262 456508189 /nfs/dbraw/zinc/50/81/89/456508189.db2.gz QULCZOBOFWXZSF-BBRMVZONSA-N 1 0 345.399 3.292 20 5 EGBDRO CC(=O)Nc1cccc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000282474482 456526199 /nfs/dbraw/zinc/52/61/99/456526199.db2.gz OEKITAQRCMPHLM-UHFFFAOYSA-N 1 0 327.384 3.228 20 5 EGBDRO CC(C)n1nccc1[C@@H]1OCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000343389672 456584121 /nfs/dbraw/zinc/58/41/21/456584121.db2.gz LKUWDIOVROSHQX-DOTOQJQBSA-N 1 0 348.378 3.131 20 5 EGBDRO CC(C)[N@@H+]1CCCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 ZINC000340725882 456651828 /nfs/dbraw/zinc/65/18/28/456651828.db2.gz QSQWVTGOCJEPPD-UHFFFAOYSA-N 1 0 347.459 3.449 20 5 EGBDRO CCCn1ccnc1CCC[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000277112166 456685274 /nfs/dbraw/zinc/68/52/74/456685274.db2.gz PVKKEPLCQOTMRG-UHFFFAOYSA-N 1 0 346.431 3.145 20 5 EGBDRO CC[C@@H](c1ccncc1)[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000299501908 456713015 /nfs/dbraw/zinc/71/30/15/456713015.db2.gz BPQLBTHMGULANY-INIZCTEOSA-N 1 0 342.399 3.402 20 5 EGBDRO CO[C@]1(C)C[C@H]([NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1(C)C ZINC000340855435 456722402 /nfs/dbraw/zinc/72/24/02/456722402.db2.gz XOWPAPBBZQRSEM-HNJNHCNJSA-N 1 0 349.431 3.023 20 5 EGBDRO C[C@@H](c1ccncc1)[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000299557367 456728677 /nfs/dbraw/zinc/72/86/77/456728677.db2.gz GMWFFQVAWWWKRG-ZDUSSCGKSA-N 1 0 328.372 3.011 20 5 EGBDRO COc1cc(C[N@H+](C)[C@H]2C[C@@](C)(OC)C2(C)C)c([N+](=O)[O-])cc1F ZINC000341274584 456830397 /nfs/dbraw/zinc/83/03/97/456830397.db2.gz GEAHZRWUTMFDMP-DOTOQJQBSA-N 1 0 340.395 3.378 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2ccc(CN3C[C@@H]4[NH2+]CCC[C@H]4C3)o2)c1 ZINC000353668938 456844483 /nfs/dbraw/zinc/84/44/83/456844483.db2.gz GVZVWRHGUDYBFM-YOEHRIQHSA-N 1 0 327.384 3.039 20 5 EGBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@@H]1CCC1CCCC1 ZINC000341562790 456875925 /nfs/dbraw/zinc/87/59/25/456875925.db2.gz IRJROQBBFVKWKT-MRXNPFEDSA-N 1 0 333.432 3.191 20 5 EGBDRO CC(C)c1ccc(CN(CC[NH+](C)C)C[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000349033979 456894360 /nfs/dbraw/zinc/89/43/60/456894360.db2.gz BLGGCXULDMTARN-KRWDZBQOSA-N 1 0 349.475 3.261 20 5 EGBDRO C[NH+](C)CCN(C/C=C\c1ccccc1[N+](=O)[O-])Cc1ccccn1 ZINC000349298302 456935020 /nfs/dbraw/zinc/93/50/20/456935020.db2.gz OVYBBMMRFSHGTH-CLFYSBASSA-N 1 0 340.427 3.067 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc3c(c2)C(=O)NCC3)cc1[N+](=O)[O-] ZINC000349685962 457015586 /nfs/dbraw/zinc/01/55/86/457015586.db2.gz QZVSKLBIJVBCMS-CYBMUJFWSA-N 1 0 339.395 3.040 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2C[C@@H]3CC[C@H](O)[C@H]3C2)o1 ZINC000346323219 457032662 /nfs/dbraw/zinc/03/26/62/457032662.db2.gz FVBKYPAMNUAZEQ-NUTKFTJISA-N 1 0 328.368 3.058 20 5 EGBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+](C)C(C)C ZINC000356519811 457033265 /nfs/dbraw/zinc/03/32/65/457033265.db2.gz XLRDINCEPYQTFS-UHFFFAOYSA-N 1 0 339.461 3.167 20 5 EGBDRO CN(c1ccccc1)c1ccc(C[N@@H+]2CCC[C@@H]2CO)cc1[N+](=O)[O-] ZINC000349816062 457064194 /nfs/dbraw/zinc/06/41/94/457064194.db2.gz IRMPMVXXVOCSAF-QGZVFWFLSA-N 1 0 341.411 3.319 20 5 EGBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H](Cc1ccccc1)c1ccccc1 ZINC000356784620 457165271 /nfs/dbraw/zinc/16/52/71/457165271.db2.gz BTLPOBSZDOAZIW-QGZVFWFLSA-N 1 0 336.395 3.402 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N(C)CC[N@H+](C)C1CCCCC1 ZINC000331319727 457165985 /nfs/dbraw/zinc/16/59/85/457165985.db2.gz INIGIWNWSPQYLO-UHFFFAOYSA-N 1 0 333.432 3.240 20 5 EGBDRO C[NH2+]C[C@@H]1CCCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000347006417 457196665 /nfs/dbraw/zinc/19/66/65/457196665.db2.gz QDTPCFKJUFDPEO-AWEZNQCLSA-N 1 0 329.400 3.286 20 5 EGBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](CC3CC3)C2)c([N+](=O)[O-])c1 ZINC000339681404 457210925 /nfs/dbraw/zinc/21/09/25/457210925.db2.gz HKFNMLJUTWIGDU-AWEZNQCLSA-N 1 0 347.415 3.054 20 5 EGBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000354444401 457226030 /nfs/dbraw/zinc/22/60/30/457226030.db2.gz ZYHDWBTWMJBHNK-NWDGAFQWSA-N 1 0 339.823 3.193 20 5 EGBDRO CN(CC[C@H]1CCCC[N@@H+]1C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000352015934 457331476 /nfs/dbraw/zinc/33/14/76/457331476.db2.gz UBLFISNNGMCNKS-GFCCVEGCSA-N 1 0 327.375 3.179 20 5 EGBDRO C[N@@H+]1CC[C@H]2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])[C@H]2C1 ZINC000352089139 457337450 /nfs/dbraw/zinc/33/74/50/457337450.db2.gz HRMGJQLEYQZBEV-HZMBPMFUSA-N 1 0 329.322 3.144 20 5 EGBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)cc1 ZINC000352441397 457370257 /nfs/dbraw/zinc/37/02/57/457370257.db2.gz WYSISIHRCYKZSI-SJORKVTESA-N 1 0 332.400 3.007 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(O[C@@H]2CCOC2)CC1 ZINC000347367881 457379143 /nfs/dbraw/zinc/37/91/43/457379143.db2.gz NDDGUVKKIQWJOK-ILCZHQDMSA-N 1 0 346.427 3.268 20 5 EGBDRO CC[N@@H+](Cc1ccccc1C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000357325103 457447430 /nfs/dbraw/zinc/44/74/30/457447430.db2.gz SNANTHKITLUBLH-GOSISDBHSA-N 1 0 344.411 3.165 20 5 EGBDRO CCn1c(C)nc([N+](=O)[O-])c1NCC1CC[NH+](CCC(C)C)CC1 ZINC000361003842 457504089 /nfs/dbraw/zinc/50/40/89/457504089.db2.gz VQFKMWPRPCTQRE-UHFFFAOYSA-N 1 0 337.468 3.290 20 5 EGBDRO CCOC1CC([N@H+](C)Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425456914 457560735 /nfs/dbraw/zinc/56/07/35/457560735.db2.gz JCHZKJOAJGTINP-UHFFFAOYSA-N 1 0 343.221 3.357 20 5 EGBDRO COC1CCN(C(C)(C)C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000361228598 457656705 /nfs/dbraw/zinc/65/67/05/457656705.db2.gz JPOLOANNYHDTOP-AWEZNQCLSA-N 1 0 335.448 3.135 20 5 EGBDRO CC[C@@H]1CN(CC[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CCO1 ZINC000433064725 457657629 /nfs/dbraw/zinc/65/76/29/457657629.db2.gz CEZRCZIESHBPPY-CRAIPNDOSA-N 1 0 347.459 3.018 20 5 EGBDRO Cc1nc(CC[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c(C)o1 ZINC000357780244 457686511 /nfs/dbraw/zinc/68/65/11/457686511.db2.gz VXDGQDHFBOXXME-KRWDZBQOSA-N 1 0 329.400 3.353 20 5 EGBDRO CCCOc1cccc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000425966053 457749129 /nfs/dbraw/zinc/74/91/29/457749129.db2.gz KJZVZYWZXJCWQN-UHFFFAOYSA-N 1 0 344.415 3.417 20 5 EGBDRO O=[N+]([O-])c1cnc(NCc2cccc(C[NH+]3CCCCCC3)c2)s1 ZINC000443509661 457772035 /nfs/dbraw/zinc/77/20/35/457772035.db2.gz LSQCZPSBJOXZFQ-UHFFFAOYSA-N 1 0 346.456 3.461 20 5 EGBDRO C[C@@H]1CN(C2CC2)C[C@H]1[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433288043 457799169 /nfs/dbraw/zinc/79/91/69/457799169.db2.gz XYULPKKJTRRWMZ-OCBCSQNSSA-N 1 0 329.444 3.390 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@H]1CCC[C@@H](C)C1 ZINC000411175320 457820904 /nfs/dbraw/zinc/82/09/04/457820904.db2.gz QIBDEDMUBFUFEU-KGLIPLIRSA-N 1 0 349.431 3.443 20 5 EGBDRO CC[N@H+](CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@@H](C)C(C)C ZINC000411191386 457825803 /nfs/dbraw/zinc/82/58/03/457825803.db2.gz BSADLQIZEAVQHB-ZDUSSCGKSA-N 1 0 337.420 3.298 20 5 EGBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)c1 ZINC000371312347 457860102 /nfs/dbraw/zinc/86/01/02/457860102.db2.gz CAFODELGHZSAHK-NEPJUHHUSA-N 1 0 342.342 3.055 20 5 EGBDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000361817460 457881636 /nfs/dbraw/zinc/88/16/36/457881636.db2.gz NZWCMIONPJTHNH-INIZCTEOSA-N 1 0 334.420 3.227 20 5 EGBDRO CC[C@H]1CCCC[C@H]1[N@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000444675659 457935098 /nfs/dbraw/zinc/93/50/98/457935098.db2.gz MIEQCYLPDPPYCL-WMLDXEAASA-N 1 0 345.443 3.385 20 5 EGBDRO CC[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H]1CCCC[C@H]1C ZINC000444674117 457935237 /nfs/dbraw/zinc/93/52/37/457935237.db2.gz JLLOPJXPRSFPLW-PBHICJAKSA-N 1 0 345.443 3.385 20 5 EGBDRO CCC(CC)[N@H+](CC)CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000411740338 457967197 /nfs/dbraw/zinc/96/71/97/457967197.db2.gz XYDSIGDQPJUVLN-UHFFFAOYSA-N 1 0 337.420 3.443 20 5 EGBDRO COc1ccc(NC(=O)CC[N@@H+]2[C@@H](C)CCC2(C)C)c([N+](=O)[O-])c1 ZINC000411807365 457984323 /nfs/dbraw/zinc/98/43/23/457984323.db2.gz KHNQNFZPPLZDSD-LBPRGKRZSA-N 1 0 335.404 3.195 20 5 EGBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCSC(C)(C)CC1 ZINC000434666814 458032659 /nfs/dbraw/zinc/03/26/59/458032659.db2.gz VCONAUYCEOPLDN-LBPRGKRZSA-N 1 0 337.445 3.139 20 5 EGBDRO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000412008117 458042958 /nfs/dbraw/zinc/04/29/58/458042958.db2.gz KFMVMTDPDPCNIP-JKSUJKDBSA-N 1 0 328.416 3.487 20 5 EGBDRO Cn1nccc1[C@@H]1CCC[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000376080651 458187842 /nfs/dbraw/zinc/18/78/42/458187842.db2.gz JMOLSRSEZXXANP-CVEARBPZSA-N 1 0 328.416 3.187 20 5 EGBDRO CC1(C)CN(CCOc2ccccc2[N+](=O)[O-])C[C@H](C(F)(F)F)O1 ZINC000428948045 458239331 /nfs/dbraw/zinc/23/93/31/458239331.db2.gz USFXNSCDDAEFDH-CYBMUJFWSA-N 1 0 348.321 3.015 20 5 EGBDRO CCOC(=O)[C@]1(C(C)C)CC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000446913707 458245235 /nfs/dbraw/zinc/24/52/35/458245235.db2.gz HJSNSADAKAGNHX-GOSISDBHSA-N 1 0 334.416 3.314 20 5 EGBDRO CC1CCN(C(=[NH2+])NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000447133648 458267350 /nfs/dbraw/zinc/26/73/50/458267350.db2.gz PRZSHADBIKAIQF-UHFFFAOYSA-N 1 0 344.337 3.370 20 5 EGBDRO COc1ccccc1CC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447509983 458302159 /nfs/dbraw/zinc/30/21/59/458302159.db2.gz OCPGHKLUVLKXGV-HOTGVXAUSA-N 1 0 344.415 3.116 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@@H]1CC[C@@H](C)C1 ZINC000429565062 458346860 /nfs/dbraw/zinc/34/68/60/458346860.db2.gz RGRJUKNSSAHDSK-CHWSQXEVSA-N 1 0 335.404 3.052 20 5 EGBDRO C[C@H](CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC000429863919 458378648 /nfs/dbraw/zinc/37/86/48/458378648.db2.gz HIMVMWMVFGRSMP-HUUCEWRRSA-N 1 0 347.459 3.252 20 5 EGBDRO Cc1c(C[NH2+][C@@H]2CCC[C@@H](c3ccnn3C)C2)cccc1[N+](=O)[O-] ZINC000448024831 458379934 /nfs/dbraw/zinc/37/99/34/458379934.db2.gz AXYCUTDSKKVUGX-GDBMZVCRSA-N 1 0 328.416 3.453 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1CN[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000430220457 458423715 /nfs/dbraw/zinc/42/37/15/458423715.db2.gz QDPCSQIURGGXOU-GDBMZVCRSA-N 1 0 347.459 3.346 20 5 EGBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](C)c1cncc(F)c1 ZINC000459655295 458438299 /nfs/dbraw/zinc/43/82/99/458438299.db2.gz UUONYELRZDUJDZ-NEPJUHHUSA-N 1 0 346.362 3.197 20 5 EGBDRO COc1cc(C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)c([N+](=O)[O-])cc1OC(F)F ZINC000459781380 458478163 /nfs/dbraw/zinc/47/81/63/458478163.db2.gz NRMSWLIPTFCLNM-ADEWGFFLSA-N 1 0 342.342 3.483 20 5 EGBDRO CCC[C@H]([NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C1CCC1 ZINC000459813902 458485207 /nfs/dbraw/zinc/48/52/07/458485207.db2.gz WTFAYTHJUJNUBK-HNNXBMFYSA-N 1 0 347.415 3.451 20 5 EGBDRO C[C@H](C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccc(F)cc1 ZINC000438092285 458530981 /nfs/dbraw/zinc/53/09/81/458530981.db2.gz FXNROJYDKUHFPK-CZUORRHYSA-N 1 0 344.390 3.419 20 5 EGBDRO CC(C)C[C@H]1CCC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000468869906 458541166 /nfs/dbraw/zinc/54/11/66/458541166.db2.gz HJHFPLYMTKIVCH-OAHLLOKOSA-N 1 0 333.432 3.316 20 5 EGBDRO C[C@@H]1C[C@@H](C)N(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000424050543 458545708 /nfs/dbraw/zinc/54/57/08/458545708.db2.gz DNTHVBBGCAQCLN-UMVBOHGHSA-N 1 0 347.459 3.338 20 5 EGBDRO C[C@@H]1C[C@H](C)N(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000424050544 458546067 /nfs/dbraw/zinc/54/60/67/458546067.db2.gz DNTHVBBGCAQCLN-VNHYZAJKSA-N 1 0 347.459 3.338 20 5 EGBDRO NC(=O)C[C@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000377846298 458549811 /nfs/dbraw/zinc/54/98/11/458549811.db2.gz BLTXHTQJHTWJBK-GFCCVEGCSA-N 1 0 345.424 3.021 20 5 EGBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000502585315 458660402 /nfs/dbraw/zinc/66/04/02/458660402.db2.gz BPXXANCEFFWNQY-OAHLLOKOSA-N 1 0 334.420 3.289 20 5 EGBDRO CCC[C@@H]([NH2+]CCN1CCO[C@H](CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000494449324 458679085 /nfs/dbraw/zinc/67/90/85/458679085.db2.gz IHHBMKCFRMSZPH-QZTJIDSGSA-N 1 0 335.448 3.136 20 5 EGBDRO CCc1ccc(C(=O)NCC2([NH+](C)C)CCCCC2)cc1[N+](=O)[O-] ZINC000471358922 458690400 /nfs/dbraw/zinc/69/04/00/458690400.db2.gz UBAGRTKUPUMASD-UHFFFAOYSA-N 1 0 333.432 3.152 20 5 EGBDRO O=[N+]([O-])c1cccc2c(N3CC[C@H]([NH+]4CCCCC4)C3)ccnc21 ZINC000432327051 458716908 /nfs/dbraw/zinc/71/69/08/458716908.db2.gz RGPDPGDYIOLKKY-AWEZNQCLSA-N 1 0 326.400 3.208 20 5 EGBDRO Cc1ccc([C@@H]2CCC[C@@H]2[N@H+](C)CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000472252153 458777484 /nfs/dbraw/zinc/77/74/84/458777484.db2.gz QPWJZXAQLBUKOE-ROUUACIJSA-N 1 0 328.416 3.368 20 5 EGBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@]3(CCCc4ccccc43)C2)n1 ZINC000440336861 458806182 /nfs/dbraw/zinc/80/61/82/458806182.db2.gz XLQSKGMSZNBXPP-IBGZPJMESA-N 1 0 340.427 3.161 20 5 EGBDRO Cc1cc(NC(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)ccc1[N+](=O)[O-] ZINC000473790037 458843864 /nfs/dbraw/zinc/84/38/64/458843864.db2.gz SXIZQPQIZARIAX-HNNXBMFYSA-N 1 0 348.447 3.393 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](CO)CC1CCCC1 ZINC000466426601 458899297 /nfs/dbraw/zinc/89/92/97/458899297.db2.gz VLYOPLILDJHEFI-OAHLLOKOSA-N 1 0 336.432 3.272 20 5 EGBDRO C[NH+](C)[C@H](CN[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F)C1CC1 ZINC000576949574 458953688 /nfs/dbraw/zinc/95/36/88/458953688.db2.gz OYTWXFRBRVYGRU-KGLIPLIRSA-N 1 0 331.338 3.128 20 5 EGBDRO CC(C)C[C@]1(CO)CCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000475693440 458960264 /nfs/dbraw/zinc/96/02/64/458960264.db2.gz DZKYWPDMXHFFRB-SFHVURJKSA-N 1 0 336.432 3.237 20 5 EGBDRO COC(=O)c1cccc(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])c1 ZINC000577562127 459050153 /nfs/dbraw/zinc/05/01/53/459050153.db2.gz RBAMXNNUKOBUNZ-UITAMQMPSA-N 1 0 326.352 3.184 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CC[C@@](O)(C(F)(F)F)C2)c(Cl)c1 ZINC000589938150 459053275 /nfs/dbraw/zinc/05/32/75/459053275.db2.gz GOGZODPJAFIQFU-CABZTGNLSA-N 1 0 338.713 3.184 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H]1CC[C@@](O)(C(F)(F)F)C1 ZINC000589939167 459053545 /nfs/dbraw/zinc/05/35/45/459053545.db2.gz WAGOSIRTUMPCKR-ZPSXMKBBSA-N 1 0 330.306 3.044 20 5 EGBDRO COCCOc1ccccc1C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594505353 459066217 /nfs/dbraw/zinc/06/62/17/459066217.db2.gz RSLGZOCMJRNQRW-QGZVFWFLSA-N 1 0 342.395 3.397 20 5 EGBDRO CC(C)[C@@]1(CO)CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000590203956 459100760 /nfs/dbraw/zinc/10/07/60/459100760.db2.gz JYIHADGRUXOJGV-SFHVURJKSA-N 1 0 336.432 3.094 20 5 EGBDRO C[N@@H+]1CC[C@H]2CCN(c3ccc(C(F)(F)F)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000590580756 459154093 /nfs/dbraw/zinc/15/40/93/459154093.db2.gz HJRHKKBGAYVXSR-HZMBPMFUSA-N 1 0 329.322 3.144 20 5 EGBDRO CC[C@H]([NH2+][C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C(C)(C)C ZINC000521557841 459162015 /nfs/dbraw/zinc/16/20/15/459162015.db2.gz WTVZLSRVXBEHQS-ABAIWWIYSA-N 1 0 337.420 3.345 20 5 EGBDRO C[N@@H+]1CCCC12CCN(c1nccc3c1cccc3[N+](=O)[O-])CC2 ZINC000590696069 459186517 /nfs/dbraw/zinc/18/65/17/459186517.db2.gz SKYIZEPBMQPSBF-UHFFFAOYSA-N 1 0 326.400 3.208 20 5 EGBDRO CC(C)(C)[N@@H+]1CC[C@@H](NCc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000594956155 459191871 /nfs/dbraw/zinc/19/18/71/459191871.db2.gz HMZAPIUXOKJWPT-GFCCVEGCSA-N 1 0 343.374 3.159 20 5 EGBDRO CC[C@H]1C[N@H+](CC)CCN1c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000590723771 459194406 /nfs/dbraw/zinc/19/44/06/459194406.db2.gz IVHICAJNRYPVAH-NSHDSACASA-N 1 0 329.347 3.117 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H](CO)CC3CC3)o2)cc1 ZINC000594982396 459204841 /nfs/dbraw/zinc/20/48/41/459204841.db2.gz DSCVQPJBUVTBJM-CQSZACIVSA-N 1 0 330.384 3.353 20 5 EGBDRO Cn1cc(CCC[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC000590757312 459206778 /nfs/dbraw/zinc/20/67/78/459206778.db2.gz INKZKUQCFNMTCD-KRWDZBQOSA-N 1 0 328.416 3.141 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H](CCO)c1ccccc1 ZINC000595024031 459220089 /nfs/dbraw/zinc/22/00/89/459220089.db2.gz DXCJWRYUFBAELQ-GDBMZVCRSA-N 1 0 344.411 3.420 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](CO)Cc1ccccc1C ZINC000595039064 459225324 /nfs/dbraw/zinc/22/53/24/459225324.db2.gz BGIMXTOYCIRYPL-GOEBONIOSA-N 1 0 344.411 3.166 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H](c1ccnn1C)C(C)C ZINC000595039403 459225804 /nfs/dbraw/zinc/22/58/04/459225804.db2.gz DXQIHTMSFCBTNQ-CZUORRHYSA-N 1 0 346.431 3.427 20 5 EGBDRO C[C@@H]([NH2+]Cc1cccnc1N1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000595064137 459232794 /nfs/dbraw/zinc/23/27/94/459232794.db2.gz DGKGHIYJTVUPME-CQSZACIVSA-N 1 0 326.400 3.441 20 5 EGBDRO Cn1ncc(C2CC2)c1C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000595079312 459239283 /nfs/dbraw/zinc/23/92/83/459239283.db2.gz VYGUKEWIEKZYOI-QGZVFWFLSA-N 1 0 326.400 3.373 20 5 EGBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCCc1ccco1 ZINC000595093974 459243255 /nfs/dbraw/zinc/24/32/55/459243255.db2.gz QPYQVZWFDYWYSS-ZDUSSCGKSA-N 1 0 331.372 3.127 20 5 EGBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2CC[C@H]3CCCC[C@H]3C2)c1 ZINC000559238911 459243707 /nfs/dbraw/zinc/24/37/07/459243707.db2.gz LETXKEOPPFMMAD-KYHPRHEASA-N 1 0 348.443 3.283 20 5 EGBDRO CC[C@H]([NH2+]C[C@@H]1CC(=O)N(C(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000595105268 459246626 /nfs/dbraw/zinc/24/66/26/459246626.db2.gz SAJNPYDVOQEAOG-BBRMVZONSA-N 1 0 333.432 3.283 20 5 EGBDRO COc1ccc(NC(=O)C[N@@H+]2CC(C)(C)[C@@H]3CCC[C@H]32)c([N+](=O)[O-])c1 ZINC000559424512 459258991 /nfs/dbraw/zinc/25/89/91/459258991.db2.gz BVYVXQLFPLFQQW-UKRRQHHQSA-N 1 0 347.415 3.052 20 5 EGBDRO Cc1ccc(NC(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000595229995 459259772 /nfs/dbraw/zinc/25/97/72/459259772.db2.gz KEVBYHFWIZDYOE-OAHLLOKOSA-N 1 0 346.431 3.147 20 5 EGBDRO CN(Cc1ccc(F)cc1[N+](=O)[O-])C[C@H]1COc2ccccc2O1 ZINC000595286395 459266632 /nfs/dbraw/zinc/26/66/32/459266632.db2.gz GZHJVLGMRDKAQF-AWEZNQCLSA-N 1 0 332.331 3.006 20 5 EGBDRO O=C(C[N@@H+]1CCCC12CCCCC2)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000533997202 459284385 /nfs/dbraw/zinc/28/43/85/459284385.db2.gz KVAPQQBPJMBMOY-UHFFFAOYSA-N 1 0 343.427 3.283 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@H](C2CCC2)C1 ZINC000591061797 459302773 /nfs/dbraw/zinc/30/27/73/459302773.db2.gz IRAQSGKWORYYPV-OCCSQVGLSA-N 1 0 347.415 3.052 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](C2CCC2)C1 ZINC000591062096 459303089 /nfs/dbraw/zinc/30/30/89/459303089.db2.gz VHGGOVLXTFMULG-AWEZNQCLSA-N 1 0 347.415 3.054 20 5 EGBDRO COC[C@H](Cc1ccccc1)[N@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595458440 459309719 /nfs/dbraw/zinc/30/97/19/459309719.db2.gz QPBWUPKGGVGYKK-KRWDZBQOSA-N 1 0 332.375 3.423 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000591270324 459344443 /nfs/dbraw/zinc/34/44/43/459344443.db2.gz LTRJXNCHDKCEDK-MRXNPFEDSA-N 1 0 346.431 3.145 20 5 EGBDRO C[C@H](O)CN(Cc1ccccc1)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000560469109 459353628 /nfs/dbraw/zinc/35/36/28/459353628.db2.gz YJVVJRSWEDFFRE-LBPRGKRZSA-N 1 0 336.338 3.256 20 5 EGBDRO CC[N@H+](CCNc1ccc(Br)cc1[N+](=O)[O-])C(C)C ZINC000524264965 459355059 /nfs/dbraw/zinc/35/50/59/459355059.db2.gz LGYPYTLBGYEUKH-UHFFFAOYSA-N 1 0 330.226 3.500 20 5 EGBDRO C[C@@H](CO)[C@@H]1CCCC[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000595679413 459394860 /nfs/dbraw/zinc/39/48/60/459394860.db2.gz VZCNJOCLRXOXSD-GUYCJALGSA-N 1 0 345.399 3.233 20 5 EGBDRO CCOc1ccc([C@H](C)N[C@@H]2CC[NH2+]C3(CCC3)C2)cc1[N+](=O)[O-] ZINC000591582290 459407443 /nfs/dbraw/zinc/40/74/43/459407443.db2.gz FISUIONZBXVKDK-DZGCQCFKSA-N 1 0 333.432 3.319 20 5 EGBDRO CC(C)(C)Oc1cc(N2CC[NH+](CC3CC3)CC2)ccc1[N+](=O)[O-] ZINC000484931399 459436228 /nfs/dbraw/zinc/43/62/28/459436228.db2.gz DYICYQUSFCNDLL-UHFFFAOYSA-N 1 0 333.432 3.304 20 5 EGBDRO CC[C@@H]1CC[C@@H](C)[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000595781985 459437482 /nfs/dbraw/zinc/43/74/82/459437482.db2.gz GWYVYSSGUGIUFW-ZIAGYGMSSA-N 1 0 349.431 3.443 20 5 EGBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)cc1 ZINC000595790980 459442178 /nfs/dbraw/zinc/44/21/78/459442178.db2.gz RTTXBXJHAVVKDT-CRAIPNDOSA-N 1 0 334.416 3.255 20 5 EGBDRO CCC[C@@]1(C)CCC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000541348629 459447740 /nfs/dbraw/zinc/44/77/40/459447740.db2.gz IFTSSEGXAFILLU-YJBOKZPZSA-N 1 0 336.432 3.237 20 5 EGBDRO CCC[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000525410332 459453708 /nfs/dbraw/zinc/45/37/08/459453708.db2.gz CSQLSSYXRUTMRH-QGTPRVQTSA-N 1 0 348.443 3.499 20 5 EGBDRO CC[C@H](c1ccccc1)[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)C ZINC000595848618 459463629 /nfs/dbraw/zinc/46/36/29/459463629.db2.gz BHAQJGIFLXMGBL-QZTJIDSGSA-N 1 0 346.431 3.014 20 5 EGBDRO CCc1ccc([C@H]([NH2+]C[C@H](C)CCO)c2ccc([N+](=O)[O-])cc2)o1 ZINC000541543435 459464556 /nfs/dbraw/zinc/46/45/56/459464556.db2.gz MRKCMTAAZPSZFB-FZKQIMNGSA-N 1 0 332.400 3.448 20 5 EGBDRO CCC(CC)[C@@H](CNc1ccc([N+](=O)[O-])c(C(N)=O)c1)[NH+]1CCCC1 ZINC000596070495 459508605 /nfs/dbraw/zinc/50/86/05/459508605.db2.gz PNVBQCJQIAWFIQ-QGZVFWFLSA-N 1 0 348.447 3.006 20 5 EGBDRO O=[N+]([O-])c1cccc(Br)c1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000596082861 459514074 /nfs/dbraw/zinc/51/40/74/459514074.db2.gz OLDQNUPJRFZWIL-MNOVXSKESA-N 1 0 340.221 3.396 20 5 EGBDRO CCC[C@H](C)[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000486789044 459520004 /nfs/dbraw/zinc/52/00/04/459520004.db2.gz QGMDQEFPFPDCSN-BBRMVZONSA-N 1 0 349.431 3.443 20 5 EGBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC[C@@H]2[C@H]2CCCOC2)cc1 ZINC000592134221 459531601 /nfs/dbraw/zinc/53/16/01/459531601.db2.gz LLQSGRVPTOCUQK-MAUKXSAKSA-N 1 0 334.416 3.255 20 5 EGBDRO O=[N+]([O-])c1ccc(OCCC[NH2+][C@@H](CCO)c2ccccc2F)cc1 ZINC000592162393 459541459 /nfs/dbraw/zinc/54/14/59/459541459.db2.gz ZVJSIWWCYGYWHP-SFHVURJKSA-N 1 0 348.374 3.216 20 5 EGBDRO CC(C)C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])CC(C)(C)C ZINC000542281997 459543542 /nfs/dbraw/zinc/54/35/42/459543542.db2.gz MEWRRWPEKMXJPW-HNNXBMFYSA-N 1 0 338.448 3.339 20 5 EGBDRO CC[N@H+](CCSC)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000592200681 459548813 /nfs/dbraw/zinc/54/88/13/459548813.db2.gz OMVDSDJJLFQHCQ-SNVBAGLBSA-N 1 0 345.852 3.260 20 5 EGBDRO CC[C@@H]([NH3+])CNC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000592340060 459576467 /nfs/dbraw/zinc/57/64/67/459576467.db2.gz ZJNFLPGVXQRKIX-LLVKDONJSA-N 1 0 337.445 3.097 20 5 EGBDRO C[C@H](C(=O)N(CC[NH+](C)C)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000584090588 459650841 /nfs/dbraw/zinc/65/08/41/459650841.db2.gz OBUSHAMIOHRURU-HNNXBMFYSA-N 1 0 347.459 3.421 20 5 EGBDRO CCC[C@@H](C)[C@H](CC)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000543599199 459674133 /nfs/dbraw/zinc/67/41/33/459674133.db2.gz RLRVETDFKYLYQP-CJNGLKHVSA-N 1 0 342.461 3.173 20 5 EGBDRO COc1cc(NC[C@H]2CCC[N@H+](CC3CC3)C2)c(F)cc1[N+](=O)[O-] ZINC000596571541 459680959 /nfs/dbraw/zinc/68/09/59/459680959.db2.gz VGXQMYRGPQLPRA-CYBMUJFWSA-N 1 0 337.395 3.276 20 5 EGBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCCc2sccc21 ZINC000563014248 459695523 /nfs/dbraw/zinc/69/55/23/459695523.db2.gz RNCWPIIIJMZFJS-TZMCWYRMSA-N 1 0 348.424 3.063 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1CNCC[N@@H+]1CCCC[C@@H]1CC ZINC000500918486 459702124 /nfs/dbraw/zinc/70/21/24/459702124.db2.gz MQXACXIYLJMZFK-INIZCTEOSA-N 1 0 335.448 3.348 20 5 EGBDRO CCSCC[C@H](C)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000584405669 459729876 /nfs/dbraw/zinc/72/98/76/459729876.db2.gz VBWZZXYTPBZJAU-LBPRGKRZSA-N 1 0 325.434 3.045 20 5 EGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000585801380 459851974 /nfs/dbraw/zinc/85/19/74/459851974.db2.gz GPSPJLJTUUIHMS-WCQYABFASA-N 1 0 328.372 3.406 20 5 EGBDRO CCC[N@@H+]1CC[C@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000598343815 459872924 /nfs/dbraw/zinc/87/29/24/459872924.db2.gz ZBOPPDKLBOLVCG-LBPRGKRZSA-N 1 0 333.413 3.024 20 5 EGBDRO COc1ccc2c(c1)CCC[N@@H+](CCOc1ccccc1[N+](=O)[O-])C2 ZINC000609134005 459907697 /nfs/dbraw/zinc/90/76/97/459907697.db2.gz XLRPYWMLOCTACA-UHFFFAOYSA-N 1 0 342.395 3.431 20 5 EGBDRO CC[N@@H+](Cc1cc(Br)c([N+](=O)[O-])s1)C[C@@H]1CCOC1 ZINC000602443534 459942034 /nfs/dbraw/zinc/94/20/34/459942034.db2.gz IYBDSGBXMYBZCM-VIFPVBQESA-N 1 0 349.250 3.277 20 5 EGBDRO CCC1(O)CC[NH+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602472838 459954681 /nfs/dbraw/zinc/95/46/81/459954681.db2.gz CRLUJOIMYAOGAH-UHFFFAOYSA-N 1 0 332.322 3.351 20 5 EGBDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000609489497 459970245 /nfs/dbraw/zinc/97/02/45/459970245.db2.gz RBSIDQUUZJRRBI-GFCCVEGCSA-N 1 0 339.461 3.287 20 5 EGBDRO C[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@H]1CO ZINC000598678441 459988889 /nfs/dbraw/zinc/98/88/89/459988889.db2.gz YKDPOMPBJGNMPV-KGLIPLIRSA-N 1 0 330.384 3.305 20 5 EGBDRO CCSCC[C@@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602557310 459995555 /nfs/dbraw/zinc/99/55/55/459995555.db2.gz JHCNXGSBADUGPJ-CYBMUJFWSA-N 1 0 338.477 3.080 20 5 EGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]C[C@@H]1CCC[C@H](O)C1 ZINC000602561155 459997247 /nfs/dbraw/zinc/99/72/47/459997247.db2.gz WJDZEZVIEVVSHJ-MFKMUULPSA-N 1 0 332.322 3.254 20 5 EGBDRO O=[N+]([O-])c1sc(C[NH2+]CCC(F)(F)F)cc1Br ZINC000602562441 459998754 /nfs/dbraw/zinc/99/87/54/459998754.db2.gz SLLHPWOUGBYWMJ-UHFFFAOYSA-N 1 0 333.129 3.461 20 5 EGBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]C[C@H]3CCOc4ccccc43)nc2c1 ZINC000602563004 459999223 /nfs/dbraw/zinc/99/92/23/459999223.db2.gz JOIGWHSMPJOWSV-GFCCVEGCSA-N 1 0 339.351 3.392 20 5 EGBDRO COCCC1(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CCCC1 ZINC000602567275 460000892 /nfs/dbraw/zinc/00/08/92/460000892.db2.gz JPJNCLCSKZOTDA-UHFFFAOYSA-N 1 0 333.388 3.423 20 5 EGBDRO O=[N+]([O-])c1sc(C[NH2+][C@H]2CC[C@@H](CO)CC2)cc1Br ZINC000602568342 460001528 /nfs/dbraw/zinc/00/15/28/460001528.db2.gz KFBFJLDAVQBEKX-DTORHVGOSA-N 1 0 349.250 3.060 20 5 EGBDRO [NH3+][C@@]12CCC[C@H]1CN(Cc1ccc(-c3ccccc3[N+](=O)[O-])o1)C2 ZINC000598719224 460005086 /nfs/dbraw/zinc/00/50/86/460005086.db2.gz MICWGGOGHPYHRN-SCLBCKFNSA-N 1 0 327.384 3.168 20 5 EGBDRO C[C@H]1C[C@@H](C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CCO1 ZINC000602581408 460007663 /nfs/dbraw/zinc/00/76/63/460007663.db2.gz JRIGSMKOYFBVMU-IUCAKERBSA-N 1 0 349.250 3.324 20 5 EGBDRO CC[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000609766768 460014752 /nfs/dbraw/zinc/01/47/52/460014752.db2.gz PCIDCYQBHUBPKW-KBPBESRZSA-N 1 0 349.431 3.443 20 5 EGBDRO COCCC[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1ccncc1 ZINC000602656029 460047475 /nfs/dbraw/zinc/04/74/75/460047475.db2.gz LABCPUGLBMAKPV-UHFFFAOYSA-N 1 0 329.400 3.071 20 5 EGBDRO CC1(C)C[C@H]([NH2+][C@@H]2CCO[C@@]3(CCOC3)C2)c2cc([N+](=O)[O-])ccc21 ZINC000576094338 460068286 /nfs/dbraw/zinc/06/82/86/460068286.db2.gz QMOJLGKUPOXJMV-FMEYXAORSA-N 1 0 346.427 3.245 20 5 EGBDRO CCC[N@H+](CCOc1cccc([N+](=O)[O-])c1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000610133287 460068363 /nfs/dbraw/zinc/06/83/63/460068363.db2.gz AASBNWMUHUMZBU-KURKYZTESA-N 1 0 348.443 3.499 20 5 EGBDRO CCC[C@@H](C)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000589309548 460069280 /nfs/dbraw/zinc/06/92/80/460069280.db2.gz QZDAIBMVGKKVNP-SECBINFHSA-N 1 0 348.184 3.478 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@@H]3CCC[C@H]3C3CC3)CC2)cn1 ZINC000602695940 460070759 /nfs/dbraw/zinc/07/07/59/460070759.db2.gz PAHFNWNEFIWEPB-YJBOKZPZSA-N 1 0 344.459 3.375 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594098246 460100315 /nfs/dbraw/zinc/10/03/15/460100315.db2.gz RYQDLPAKUPMHMV-GDBMZVCRSA-N 1 0 346.431 3.350 20 5 EGBDRO COc1ccccc1[C@H]1CCCC[N@@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602775230 460117829 /nfs/dbraw/zinc/11/78/29/460117829.db2.gz JQUDNPXKYQECMB-MRXNPFEDSA-N 1 0 344.415 3.336 20 5 EGBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@H](C)[NH+](C)C ZINC000597991322 460139738 /nfs/dbraw/zinc/13/97/38/460139738.db2.gz DLJLXFLRAWBXBR-LBPRGKRZSA-N 1 0 339.461 3.165 20 5 EGBDRO C[C@@H](CCc1ccco1)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000576628366 460180405 /nfs/dbraw/zinc/18/04/05/460180405.db2.gz WNQNFEGNDIYOEC-ZDUSSCGKSA-N 1 0 331.372 3.127 20 5 EGBDRO C[C@H](C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000598219432 460209912 /nfs/dbraw/zinc/20/99/12/460209912.db2.gz LUGORXOCVLKJPH-GOEBONIOSA-N 1 0 345.443 3.222 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000598222064 460211365 /nfs/dbraw/zinc/21/13/65/460211365.db2.gz ZOVNPWCIBLXHSQ-CQSZACIVSA-N 1 0 331.416 3.040 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1CN1CCC[C@](OC)(C(F)(F)F)C1 ZINC000614923416 460245855 /nfs/dbraw/zinc/24/58/55/460245855.db2.gz ACVVGUFROMJOHC-CQSZACIVSA-N 1 0 348.321 3.147 20 5 EGBDRO COc1ccc(OCC[N@@H+]2CCC(F)(F)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000599621638 460290101 /nfs/dbraw/zinc/29/01/01/460290101.db2.gz CNOIBFBEYCTFKB-NSHDSACASA-N 1 0 330.331 3.102 20 5 EGBDRO CCc1ccc(C2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000599670435 460304556 /nfs/dbraw/zinc/30/45/56/460304556.db2.gz VRMAMCUWJVICFI-UHFFFAOYSA-N 1 0 328.416 3.233 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3CCC[C@H](CCO)C3)o2)c1 ZINC000611268919 460322273 /nfs/dbraw/zinc/32/22/73/460322273.db2.gz FNBCFWYLBVFBOJ-CQSZACIVSA-N 1 0 330.384 3.449 20 5 EGBDRO Cc1noc(C)c1[C@@H](C)[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000611409041 460358222 /nfs/dbraw/zinc/35/82/22/460358222.db2.gz GNUCMDZLJSNEHG-LLVKDONJSA-N 1 0 346.387 3.187 20 5 EGBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)c1ccccn1 ZINC000611469170 460371099 /nfs/dbraw/zinc/37/10/99/460371099.db2.gz LCEZLUVLSWGVQA-STQMWFEESA-N 1 0 328.372 3.058 20 5 EGBDRO COc1cc(C[NH2+]C[C@@H](C)C2CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000611519387 460386177 /nfs/dbraw/zinc/38/61/77/460386177.db2.gz LOVVZDKDCHUGGB-SNVBAGLBSA-N 1 0 344.358 3.383 20 5 EGBDRO COc1ccc([C@H]([NH2+]CCn2c(C)ncc2[N+](=O)[O-])C(C)C)cc1 ZINC000611542839 460393943 /nfs/dbraw/zinc/39/39/43/460393943.db2.gz SLJGFAFQXHLAFF-QGZVFWFLSA-N 1 0 332.404 3.095 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000604474556 460430444 /nfs/dbraw/zinc/43/04/44/460430444.db2.gz BNXVRUQQALBKTI-ZIAGYGMSSA-N 1 0 347.459 3.390 20 5 EGBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1c1ccnc2ccc([N+](=O)[O-])cc21 ZINC000601164700 460737200 /nfs/dbraw/zinc/73/72/00/460737200.db2.gz FHZBPJCIDLZOEK-DZGCQCFKSA-N 1 0 326.400 3.206 20 5 EGBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000613244709 460881806 /nfs/dbraw/zinc/88/18/06/460881806.db2.gz PCFUQUMVRBLSSS-IRXDYDNUSA-N 1 0 347.459 3.153 20 5 EGBDRO C[C@H](CNc1ncnc2cccc([N+](=O)[O-])c21)[N@@H+]1CCC[C@H](C)C1 ZINC000612438468 469465795 /nfs/dbraw/zinc/46/57/95/469465795.db2.gz YNEPSWSBNSJAAZ-QWHCGFSZSA-N 1 0 329.404 3.070 20 5 EGBDRO CSC[C@@](C)(O)C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000130262567 533761826 /nfs/dbraw/zinc/76/18/26/533761826.db2.gz FIJBCUAWNKLXTM-UNEWFSDZSA-N 1 0 338.473 3.010 20 5 EGBDRO C[C@H](C[S@](C)=O)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000184265802 534141434 /nfs/dbraw/zinc/14/14/34/534141434.db2.gz KZNXCWXQGAXFHA-XFNZEKPQSA-N 1 0 338.454 3.180 20 5 EGBDRO C[C@@H](C[S@](C)=O)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000184264886 534228954 /nfs/dbraw/zinc/22/89/54/534228954.db2.gz QKJICUGHJCJWPJ-SAHAZLINSA-N 1 0 338.454 3.180 20 5 EGBDRO CC1([C@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C2)OCCO1 ZINC000183901906 528058301 /nfs/dbraw/zinc/05/83/01/528058301.db2.gz XMTQMLGLUPNLNH-ZDUSSCGKSA-N 1 0 340.807 3.223 20 5 EGBDRO CCC[NH+]1CCC(N(C)C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000153791975 528192458 /nfs/dbraw/zinc/19/24/58/528192458.db2.gz DASACTUSLGPFHT-UHFFFAOYSA-N 1 0 334.420 3.241 20 5 EGBDRO CC[C@@H]([NH2+]C[C@@H](O)COCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000178654161 529174367 /nfs/dbraw/zinc/17/43/67/529174367.db2.gz LYIICXVZKSONBQ-RTBURBONSA-N 1 0 344.411 3.213 20 5 EGBDRO COC(=O)C[C@@H]1CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)[C@H]1C ZINC000354603082 536318231 /nfs/dbraw/zinc/31/82/31/536318231.db2.gz NIXUWBNOLNFGJM-ZIBATOQPSA-N 1 0 340.807 3.316 20 5 EGBDRO C[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1cccc(C2CC2)c1 ZINC000451116925 547933230 /nfs/dbraw/zinc/93/32/30/547933230.db2.gz SSTUVKJXZNQSHT-LBPRGKRZSA-N 1 0 339.395 3.422 20 5 EGBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000733209427 575320842 /nfs/dbraw/zinc/32/08/42/575320842.db2.gz LTUBMZOYSZIPPP-AWEZNQCLSA-N 1 0 336.461 3.146 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]Cc1cccc2c1OCCO2 ZINC000733331128 575328670 /nfs/dbraw/zinc/32/86/70/575328670.db2.gz CCOIJBVYMGQWOL-QPJJXVBHSA-N 1 0 326.352 3.169 20 5 EGBDRO COc1ccc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000742369653 576774475 /nfs/dbraw/zinc/77/44/75/576774475.db2.gz BRMICFWFROQLLP-OAHLLOKOSA-N 1 0 336.775 3.080 20 5 EGBDRO CCC[N@H+](C)C[C@@H]1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)C1 ZINC000742425151 576782965 /nfs/dbraw/zinc/78/29/65/576782965.db2.gz AVGDEDSZWKVNNQ-LBPRGKRZSA-N 1 0 334.445 3.373 20 5 EGBDRO COc1cccc([C@@H](O)C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)c1 ZINC000873048620 1297246379 /nfs/dbraw/zinc/24/63/79/1297246379.db2.gz FZYOINLMRYZAIF-SFHVURJKSA-N 1 0 330.384 3.043 20 5 EGBDRO CC(C)C[NH+]1CCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000043331565 1291455445 /nfs/dbraw/zinc/45/54/45/1291455445.db2.gz AZRCHCZZHGWSEU-UHFFFAOYSA-N 1 0 340.811 3.054 20 5 EGBDRO CS(=O)(=O)NCCC[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000044862075 1291496953 /nfs/dbraw/zinc/49/69/53/1291496953.db2.gz FTPMBSIASBZWJU-UHFFFAOYSA-N 1 0 342.464 3.022 20 5 EGBDRO Cc1nn(C[N@@H+]2CCC[C@H]2CCc2ccccc2)c(C)c1[N+](=O)[O-] ZINC000054549541 1291756741 /nfs/dbraw/zinc/75/67/41/1291756741.db2.gz WPOBSGXBDYGQLE-KRWDZBQOSA-N 1 0 328.416 3.463 20 5 EGBDRO CN(c1ccc([N+](=O)[O-])cc1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000829572700 1292586473 /nfs/dbraw/zinc/58/64/73/1292586473.db2.gz UJURAQQDRCXXOL-UHFFFAOYSA-N 1 0 331.338 3.448 20 5 EGBDRO C[C@@H]([NH2+]C[C@@H](C)CNC(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000090714569 1292806167 /nfs/dbraw/zinc/80/61/67/1292806167.db2.gz BCPQJFUISIDHOA-CHWSQXEVSA-N 1 0 337.420 3.406 20 5 EGBDRO CC[C@@H]([NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000119816349 1293289864 /nfs/dbraw/zinc/28/98/64/1293289864.db2.gz VDNRACGFHQLWHA-TZMCWYRMSA-N 1 0 343.221 3.405 20 5 EGBDRO Cc1cc(F)cc(C(=O)NC2CC[NH+](C(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000125370251 1293506102 /nfs/dbraw/zinc/50/61/02/1293506102.db2.gz BVNIPWLVXWSMPT-UHFFFAOYSA-N 1 0 337.395 3.035 20 5 EGBDRO C[C@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)c1ccccc1 ZINC000129681609 1293631219 /nfs/dbraw/zinc/63/12/19/1293631219.db2.gz YOTAORYQFKHTHF-LBPRGKRZSA-N 1 0 331.347 3.413 20 5 EGBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)C(=O)NCc1ccccc1 ZINC000131045435 1293677146 /nfs/dbraw/zinc/67/71/46/1293677146.db2.gz DAWBWGZCGVVTDP-LBPRGKRZSA-N 1 0 347.802 3.043 20 5 EGBDRO CCCC[C@@H](COC)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000134117121 1293762740 /nfs/dbraw/zinc/76/27/40/1293762740.db2.gz GLEORUOJRQYPAZ-INIZCTEOSA-N 1 0 335.448 3.358 20 5 EGBDRO Cc1ccc(CC[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000136052298 1293808353 /nfs/dbraw/zinc/80/83/53/1293808353.db2.gz PIFMCOAFVINCOH-UHFFFAOYSA-N 1 0 325.412 3.268 20 5 EGBDRO CC1CC[NH+](CCCNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000152613005 1293977166 /nfs/dbraw/zinc/97/71/66/1293977166.db2.gz MSQOTHKNZUUKDF-UHFFFAOYSA-N 1 0 339.823 3.100 20 5 EGBDRO C[C@H]1C[C@@H](Nc2cc(Br)ccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000156201849 1294131978 /nfs/dbraw/zinc/13/19/78/1294131978.db2.gz FJQQCWZKHYKXEX-ONGXEEELSA-N 1 0 328.210 3.252 20 5 EGBDRO O=[N+]([O-])c1cn(C[N@@H+]2CCC[C@@H]2C2CCC2)nc1-c1ccncc1 ZINC000172901344 1294448156 /nfs/dbraw/zinc/44/81/56/1294448156.db2.gz NOPWGXAXYZWWEL-OAHLLOKOSA-N 1 0 327.388 3.075 20 5 EGBDRO CC[C@]1(C)CCC[N@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000173425871 1294461374 /nfs/dbraw/zinc/46/13/74/1294461374.db2.gz HHHHEBKZOAYAEP-QGZVFWFLSA-N 1 0 329.404 3.323 20 5 EGBDRO Cc1c(NC(=O)CC[N@@H+]2CCC3(CCCC3)C2)cccc1[N+](=O)[O-] ZINC000173822943 1294472185 /nfs/dbraw/zinc/47/21/85/1294472185.db2.gz DBCSMEGTKKUYFX-UHFFFAOYSA-N 1 0 331.416 3.498 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@@H]2Cc2ccccc2)c1 ZINC000246207890 1296341920 /nfs/dbraw/zinc/34/19/20/1296341920.db2.gz CANSPPZPFVUBSR-IEBWSBKVSA-N 1 0 326.396 3.335 20 5 EGBDRO CC(C)(c1nc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)no1)c1ccc([N+](=O)[O-])cc1 ZINC000871796041 1296538307 /nfs/dbraw/zinc/53/83/07/1296538307.db2.gz FZZFRPGMGWGYTA-QXMXGUDHSA-N 1 0 342.399 3.302 20 5 EGBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@H]1CCCC[C@@]1(C)[NH3+] ZINC000263097236 1296659608 /nfs/dbraw/zinc/65/96/08/1296659608.db2.gz ZAFHAYONERXKMB-CZUORRHYSA-N 1 0 339.823 3.114 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H](O)COCC(C)C ZINC000872027930 1296673860 /nfs/dbraw/zinc/67/38/60/1296673860.db2.gz OFDGLQPFYCCKDE-GXTWGEPZSA-N 1 0 342.461 3.001 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCOC[C@@H]1CCOC1 ZINC000872036509 1296686296 /nfs/dbraw/zinc/68/62/96/1296686296.db2.gz SVQGORMUJUTASP-CHWSQXEVSA-N 1 0 340.445 3.020 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)[C@@H](CO)SC ZINC000872038458 1296688510 /nfs/dbraw/zinc/68/85/10/1296688510.db2.gz NUZMVSNHMUREPW-PKFCDNJMSA-N 1 0 330.475 3.080 20 5 EGBDRO CSC1CC[NH+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)CC1 ZINC000872628434 1297033264 /nfs/dbraw/zinc/03/32/64/1297033264.db2.gz YSRPCAKJTAJQPJ-UHFFFAOYSA-N 1 0 332.429 3.243 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H]1CCCc2nc(C)ncc21 ZINC000873051440 1297249315 /nfs/dbraw/zinc/24/93/15/1297249315.db2.gz CDMUEXJSYYHFRD-INIZCTEOSA-N 1 0 326.400 3.477 20 5 EGBDRO COc1cccc([C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2C)OC)c1 ZINC000873141018 1297296900 /nfs/dbraw/zinc/29/69/00/1297296900.db2.gz ZGMOHDBRVJSYQM-SFHVURJKSA-N 1 0 330.384 3.389 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCn1ccc(C(F)(F)F)n1 ZINC000873157730 1297309394 /nfs/dbraw/zinc/30/93/94/1297309394.db2.gz HJAXMSIRYPBUFE-UHFFFAOYSA-N 1 0 342.321 3.217 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1ccc(CN2CC[C@]3(CCC[NH2+]3)C2)o1 ZINC000415135924 1297779018 /nfs/dbraw/zinc/77/90/18/1297779018.db2.gz KWNXMUFIPXJYFJ-GOSISDBHSA-N 1 0 327.384 3.183 20 5 EGBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=S)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000745731055 1298465625 /nfs/dbraw/zinc/46/56/25/1298465625.db2.gz YOICMLLLQYXHBI-CYBMUJFWSA-N 1 0 336.461 3.002 20 5 EGBDRO O=C(NC1CC[NH+](C2CCCCC2)CC1)c1cc([N+](=O)[O-])ccc1F ZINC000747313960 1298760555 /nfs/dbraw/zinc/76/05/55/1298760555.db2.gz MTTLVLIMJKUMNH-UHFFFAOYSA-N 1 0 349.406 3.261 20 5 EGBDRO CNC(=O)c1ccc(C[N@H+](C)Cc2c(C)ccc([N+](=O)[O-])c2C)cc1 ZINC000876551688 1298821359 /nfs/dbraw/zinc/82/13/59/1298821359.db2.gz YHYKFVAPBXTIBC-UHFFFAOYSA-N 1 0 341.411 3.203 20 5 EGBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]C[C@H]3COc4ccccc4C3)nc2c1 ZINC000876876235 1299045932 /nfs/dbraw/zinc/04/59/32/1299045932.db2.gz BVQVJISUHRTIKC-LBPRGKRZSA-N 1 0 339.351 3.077 20 5 EGBDRO COc1ccc(C(=O)Nc2ccc(C[NH+](C)C)c(F)c2)cc1[N+](=O)[O-] ZINC000749153359 1299154458 /nfs/dbraw/zinc/15/44/58/1299154458.db2.gz CUWDVYVVQUTTQD-UHFFFAOYSA-N 1 0 347.346 3.056 20 5 EGBDRO CCC(CC)(CC(=O)OC)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000749287920 1299187153 /nfs/dbraw/zinc/18/71/53/1299187153.db2.gz RLPAYFZXMAGXBI-UHFFFAOYSA-N 1 0 328.796 3.460 20 5 EGBDRO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000749803613 1299277870 /nfs/dbraw/zinc/27/78/70/1299277870.db2.gz AEEVUWRJRPVTLW-MRXNPFEDSA-N 1 0 349.431 3.079 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000877517361 1299361596 /nfs/dbraw/zinc/36/15/96/1299361596.db2.gz LVMFAFVIYAVNNX-OAHLLOKOSA-N 1 0 346.349 3.491 20 5 EGBDRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000750646750 1299436974 /nfs/dbraw/zinc/43/69/74/1299436974.db2.gz GJMFFTHCRGAZTD-UHFFFAOYSA-N 1 0 342.399 3.320 20 5 EGBDRO CO[C@@]1(C)C[C@@H]([N@H+](C)Cn2ncc3ccc([N+](=O)[O-])cc32)C1(C)C ZINC000751933450 1299656745 /nfs/dbraw/zinc/65/67/45/1299656745.db2.gz JPJRLWQAYWTPMS-WBVHZDCISA-N 1 0 332.404 3.037 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1nnc(C[N@@H+]2CC[C@H](c3ccco3)C2)o1 ZINC000878095010 1299743840 /nfs/dbraw/zinc/74/38/40/1299743840.db2.gz ZFOJNNLYSHWUBK-LBPRGKRZSA-N 1 0 340.339 3.227 20 5 EGBDRO CC(C)CC[N@H+](CN1CCN(c2ccccc2[N+](=O)[O-])C1=O)C1CC1 ZINC000752786433 1299794405 /nfs/dbraw/zinc/79/44/05/1299794405.db2.gz OCKSRBGMMBFQHZ-UHFFFAOYSA-N 1 0 346.431 3.305 20 5 EGBDRO CC1(C)OCC([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CO1 ZINC000758010220 1300770586 /nfs/dbraw/zinc/77/05/86/1300770586.db2.gz GUZPXAOQKHBXLF-UHFFFAOYSA-N 1 0 332.356 3.096 20 5 EGBDRO C[C@@](O)(C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000758600123 1300918516 /nfs/dbraw/zinc/91/85/16/1300918516.db2.gz NCIWNVNUTQRLSM-WLPBJKJWSA-N 1 0 330.359 3.244 20 5 EGBDRO CC[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)[C@H](CO)c1ccccc1 ZINC000880459089 1301124990 /nfs/dbraw/zinc/12/49/90/1301124990.db2.gz CHEUQKSIYMUERX-QGZVFWFLSA-N 1 0 330.384 3.159 20 5 EGBDRO COC1CCC([N@H+](C)Cn2nc(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000761289848 1301436219 /nfs/dbraw/zinc/43/62/19/1301436219.db2.gz CMIKXUXPYKTMNS-UHFFFAOYSA-N 1 0 332.404 3.100 20 5 EGBDRO C[N@H+](Cc1cn(Cc2ccc([N+](=O)[O-])c(F)c2)nn1)C1CCCCC1 ZINC000881212498 1301484930 /nfs/dbraw/zinc/48/49/30/1301484930.db2.gz DWKMGFWOWMNQAM-UHFFFAOYSA-N 1 0 347.394 3.138 20 5 EGBDRO CCO[C@@H]1C[C@H]([N@H+](C)Cn2ncc3cc([N+](=O)[O-])ccc32)C12CCC2 ZINC000763232899 1301853783 /nfs/dbraw/zinc/85/37/83/1301853783.db2.gz WJVAFIFYAFWLNN-DLBZAZTESA-N 1 0 344.415 3.182 20 5 EGBDRO CCCN(CC[NH+](CC)CC)C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000763770066 1301958607 /nfs/dbraw/zinc/95/86/07/1301958607.db2.gz URYJEZGEOPSMQL-UHFFFAOYSA-N 1 0 341.839 3.442 20 5 EGBDRO CCCN(CC[NH+](CC)CC)C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000763766572 1301958658 /nfs/dbraw/zinc/95/86/58/1301958658.db2.gz AGJRVOLCPQELEW-XFXZXTDPSA-N 1 0 333.432 3.188 20 5 EGBDRO C[C@@H](C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)N1CCCCC1 ZINC000765256591 1302230834 /nfs/dbraw/zinc/23/08/34/1302230834.db2.gz UQIBRQYGXNBMMY-YJBOKZPZSA-N 1 0 331.460 3.380 20 5 EGBDRO Cc1c([C@@H](C)[NH2+]C[C@@H](O)COc2cccc(F)c2)cccc1[N+](=O)[O-] ZINC000765286075 1302238143 /nfs/dbraw/zinc/23/81/43/1302238143.db2.gz DVJPPXATBIWKCC-UKRRQHHQSA-N 1 0 348.374 3.133 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(N2CCC(C[NH+]3CCCCCC3)CC2)n1 ZINC000765466438 1302268455 /nfs/dbraw/zinc/26/84/55/1302268455.db2.gz PDCHERAGKFLHEL-UHFFFAOYSA-N 1 0 332.448 3.391 20 5 EGBDRO COc1cccc([C@H](O)C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000765910341 1302348328 /nfs/dbraw/zinc/34/83/28/1302348328.db2.gz NFWZCPHHWKKJJW-FZKQIMNGSA-N 1 0 330.384 3.296 20 5 EGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)Cc1cnccn1 ZINC000768100798 1302824757 /nfs/dbraw/zinc/82/47/57/1302824757.db2.gz YFBAWQBRMMZICF-ZIAGYGMSSA-N 1 0 346.456 3.476 20 5 EGBDRO COc1cccc(N2CCC(c3[nH]c(C)c(C)[nH+]3)CC2)c1[N+](=O)[O-] ZINC000884707083 1302959969 /nfs/dbraw/zinc/95/99/69/1302959969.db2.gz XMXDPISHSIPFGN-UHFFFAOYSA-N 1 0 330.388 3.327 20 5 EGBDRO COC(=O)[C@H]1C[N@H+](Cc2c3ccccc3cc3ccccc32)CCO1 ZINC000769332241 1303093696 /nfs/dbraw/zinc/09/36/96/1303093696.db2.gz LEUXRBFPRARJQT-HXUWFJFHSA-N 1 0 335.403 3.367 20 5 EGBDRO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CC[C@@H]1Cc1ccccc1)OCCO2 ZINC000769505891 1303130190 /nfs/dbraw/zinc/13/01/90/1303130190.db2.gz JNFBEKFSUKFYOU-MRXNPFEDSA-N 1 0 340.379 3.183 20 5 EGBDRO CN(C)c1cccc([C@@H]2CCC[N@@H+]2Cc2cccnc2[N+](=O)[O-])c1 ZINC000886021629 1303321952 /nfs/dbraw/zinc/32/19/52/1303321952.db2.gz ZGPATMHAGZVTBV-KRWDZBQOSA-N 1 0 326.400 3.393 20 5 EGBDRO CC(C)[C@@H]([NH2+]Cc1cccnc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 ZINC000886104857 1303356747 /nfs/dbraw/zinc/35/67/47/1303356747.db2.gz MHPBAHAZKMZORV-QGZVFWFLSA-N 1 0 343.383 3.248 20 5 EGBDRO CC[NH+](CC)CCOC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000772065327 1303481557 /nfs/dbraw/zinc/48/15/57/1303481557.db2.gz BYBKLBGJRZYHLY-UHFFFAOYSA-N 1 0 349.412 3.217 20 5 EGBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887133351 1303686602 /nfs/dbraw/zinc/68/66/02/1303686602.db2.gz ZGWAFUOUKVSTTM-LSDHHAIUSA-N 1 0 326.400 3.262 20 5 EGBDRO C[C@H](O)c1ccc(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000774136647 1303778047 /nfs/dbraw/zinc/77/80/47/1303778047.db2.gz DPWMQQUWOSSFGY-RRQGHBQHSA-N 1 0 344.415 3.118 20 5 EGBDRO CC[N@@H+]1CCN(C(=O)Nc2cc([N+](=O)[O-])c(Cl)cc2C)C[C@H]1C ZINC000888285105 1304101070 /nfs/dbraw/zinc/10/10/70/1304101070.db2.gz VBKZKZJPZSRCPZ-LLVKDONJSA-N 1 0 340.811 3.115 20 5 EGBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N1CC[NH+](C(C)C)CC1 ZINC000888289793 1304104191 /nfs/dbraw/zinc/10/41/91/1304104191.db2.gz NEPBUFPYYVZXCK-UHFFFAOYSA-N 1 0 340.811 3.115 20 5 EGBDRO COc1ccc([C@@H]2CC[N@H+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000776582483 1304175036 /nfs/dbraw/zinc/17/50/36/1304175036.db2.gz UUKVBIFRRYWEGJ-VQIMIIECSA-N 1 0 342.395 3.126 20 5 EGBDRO COc1ccccc1[C@H]1CCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776581829 1304175296 /nfs/dbraw/zinc/17/52/96/1304175296.db2.gz MXDWPELDJLJYNF-MSOLQXFVSA-N 1 0 342.395 3.474 20 5 EGBDRO CS[C@H]1CC[C@H]([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000776700219 1304185463 /nfs/dbraw/zinc/18/54/63/1304185463.db2.gz KGYZHGDDALLMSB-HOCLYGCPSA-N 1 0 346.456 3.369 20 5 EGBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H](OC)C(F)(F)F)cc1[N+](=O)[O-] ZINC000777008248 1304232868 /nfs/dbraw/zinc/23/28/68/1304232868.db2.gz FSEGYYQOEMMEHL-TVQRCGJNSA-N 1 0 336.310 3.221 20 5 EGBDRO CC(C)OCCC[N@H+](C)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000777957630 1304373060 /nfs/dbraw/zinc/37/30/60/1304373060.db2.gz UYJLOPKNKYWLOB-UHFFFAOYSA-N 1 0 332.404 3.163 20 5 EGBDRO COCC1(C)CC[NH+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)CC1 ZINC000777958767 1304373230 /nfs/dbraw/zinc/37/32/30/1304373230.db2.gz WVRGTYYPCJJHMP-UHFFFAOYSA-N 1 0 344.415 3.164 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(C(=O)NCC(C)C)CC1 ZINC000778931824 1304510403 /nfs/dbraw/zinc/51/04/03/1304510403.db2.gz FHZQTLAKOXARQI-HNNXBMFYSA-N 1 0 347.459 3.448 20 5 EGBDRO COc1ccccc1[C@H](CO)NCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000782066835 1304911281 /nfs/dbraw/zinc/91/12/81/1304911281.db2.gz GYMDFKOUIKWEGK-AWEZNQCLSA-N 1 0 336.775 3.080 20 5 EGBDRO O=C(CC[N@@H+]1CCc2ccsc2C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000782523636 1304985523 /nfs/dbraw/zinc/98/55/23/1304985523.db2.gz CPTYBPTUESYNCR-UHFFFAOYSA-N 1 0 349.387 3.182 20 5 EGBDRO Cc1cc(NCC[C@@H](O)c2ccccc2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000782956514 1305030423 /nfs/dbraw/zinc/03/04/23/1305030423.db2.gz RJLCSXPAUARWQQ-LJQANCHMSA-N 1 0 337.379 3.409 20 5 EGBDRO COc1c(O)ccc(C[NH2+][C@H]2CCc3cc(C)ccc32)c1[N+](=O)[O-] ZINC000892680101 1305505270 /nfs/dbraw/zinc/50/52/70/1305505270.db2.gz MDGYFADAGCOXPV-HNNXBMFYSA-N 1 0 328.368 3.395 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](O)c1ccccc1F ZINC000786813462 1305634047 /nfs/dbraw/zinc/63/40/47/1305634047.db2.gz WWUGSNMDXSFSSO-FUNAXGEOSA-N 1 0 330.359 3.460 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@]1(O)CCc2ccccc21 ZINC000786819372 1305634841 /nfs/dbraw/zinc/63/48/41/1305634841.db2.gz BMXATYZZBXTZHS-WLEBTQASSA-N 1 0 338.407 3.422 20 5 EGBDRO Cc1c(COC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)cccc1[N+](=O)[O-] ZINC000786883089 1305648623 /nfs/dbraw/zinc/64/86/23/1305648623.db2.gz PYWSEPMQYCDBNB-KRWDZBQOSA-N 1 0 332.400 3.353 20 5 EGBDRO Cn1cc(C[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])c(C2CC2)n1 ZINC000893404111 1305875296 /nfs/dbraw/zinc/87/52/96/1305875296.db2.gz YGUYXNVIGNGPRV-UHFFFAOYSA-N 1 0 334.807 3.191 20 5 EGBDRO O=[N+]([O-])c1cc(Br)c(F)cc1OCC[NH+]1CCCCC1 ZINC000790295982 1306291582 /nfs/dbraw/zinc/29/15/82/1306291582.db2.gz NTEQJLRUFGJEBT-UHFFFAOYSA-N 1 0 347.184 3.361 20 5 EGBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000790582240 1306356371 /nfs/dbraw/zinc/35/63/71/1306356371.db2.gz FRRCSOIXVFXZKC-AWEZNQCLSA-N 1 0 339.823 3.098 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]CCO[C@@H]1CCCCO1 ZINC000894798234 1309077517 /nfs/dbraw/zinc/07/75/17/1309077517.db2.gz ZMWOJSSMTMDZQL-VDZJLULYSA-N 1 0 348.443 3.439 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCO[C@@H]3CCCCO3)o2)cc1 ZINC000894799618 1309078808 /nfs/dbraw/zinc/07/88/08/1309078808.db2.gz OLNABOLQHSNSCP-GOSISDBHSA-N 1 0 346.383 3.488 20 5 EGBDRO COc1c(C(=O)Nc2ccc(C[NH+](C)C)c(F)c2)cccc1[N+](=O)[O-] ZINC000793611639 1309416849 /nfs/dbraw/zinc/41/68/49/1309416849.db2.gz VOOBWBXOWJECAK-UHFFFAOYSA-N 1 0 347.346 3.056 20 5 EGBDRO CC(C)NC(=O)OC[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000796705226 1310069081 /nfs/dbraw/zinc/06/90/81/1310069081.db2.gz DMIBDJKZNXHIHC-MRXNPFEDSA-N 1 0 335.404 3.084 20 5 EGBDRO CC(C)(C(=O)O[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000797234244 1310160873 /nfs/dbraw/zinc/16/08/73/1310160873.db2.gz OILWTZKZVKAEQF-UONOGXRCSA-N 1 0 332.400 3.042 20 5 EGBDRO CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000897901028 1310511960 /nfs/dbraw/zinc/51/19/60/1310511960.db2.gz NPFPFSLSUCFCRX-DOTOQJQBSA-N 1 0 345.443 3.174 20 5 EGBDRO COC(=O)[C@H](C)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1ccccc1 ZINC000801523139 1310952814 /nfs/dbraw/zinc/95/28/14/1310952814.db2.gz CKTSMGOVPMLRIA-PXAZEXFGSA-N 1 0 346.358 3.374 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000821120642 1320000295 /nfs/dbraw/zinc/00/02/95/1320000295.db2.gz PXNONGFSGXJYJQ-MRXNPFEDSA-N 1 0 347.459 3.309 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)cc1Cl ZINC000836499979 1320495747 /nfs/dbraw/zinc/49/57/47/1320495747.db2.gz GPJWHAFSMXYWKA-GFCCVEGCSA-N 1 0 339.823 3.017 20 5 EGBDRO C[N@@H+]1CCC[C@H]1CCN[C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC000839651507 1320951470 /nfs/dbraw/zinc/95/14/70/1320951470.db2.gz GHXCOWCPHCPVOR-IINYFYTJSA-N 1 0 349.328 3.411 20 5 EGBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000929211180 1328537249 /nfs/dbraw/zinc/53/72/49/1328537249.db2.gz GNYSUELMOGFJSO-LBPRGKRZSA-N 1 0 340.811 3.195 20 5 EGBDRO CC(C)[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000929726419 1328680043 /nfs/dbraw/zinc/68/00/43/1328680043.db2.gz VTBPOFDUTZLJPV-QZTJIDSGSA-N 1 0 345.443 3.030 20 5 EGBDRO Nc1ccc(N2CCC(C[NH+]3CCCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000804348416 1317221729 /nfs/dbraw/zinc/22/17/29/1317221729.db2.gz AVSLMROYCVLNAP-UHFFFAOYSA-N 1 0 332.448 3.269 20 5 EGBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[NH+](C2CCCCC2)CC1 ZINC000804558327 1317259378 /nfs/dbraw/zinc/25/93/78/1317259378.db2.gz CGVUTFNKRHAXHG-UHFFFAOYSA-N 1 0 331.416 3.252 20 5 EGBDRO CSCC1CC[NH+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)CC1 ZINC000902392873 1317573062 /nfs/dbraw/zinc/57/30/62/1317573062.db2.gz LITFPFHHEUUFMT-UHFFFAOYSA-N 1 0 346.456 3.491 20 5 EGBDRO CCN(C(=O)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000903197690 1317672134 /nfs/dbraw/zinc/67/21/34/1317672134.db2.gz SZWXIPHOCCJWRD-CQSZACIVSA-N 1 0 327.384 3.299 20 5 EGBDRO O=C(C[N@@H+]1CCC[C@H](C2CC2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000808776116 1317731489 /nfs/dbraw/zinc/73/14/89/1317731489.db2.gz CHVYHMFECCFVSL-LBPRGKRZSA-N 1 0 337.807 3.309 20 5 EGBDRO CCCN(CC[NH+]1CCCC1)C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000808918970 1317754251 /nfs/dbraw/zinc/75/42/51/1317754251.db2.gz LJQNOKWIILAOPH-UHFFFAOYSA-N 1 0 339.823 3.196 20 5 EGBDRO Cc1ccc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])cc1[N+](=O)[O-] ZINC000809688351 1317862463 /nfs/dbraw/zinc/86/24/63/1317862463.db2.gz IRKJMOIROXTHAQ-UHFFFAOYSA-N 1 0 329.356 3.486 20 5 EGBDRO C[NH+](C)CCN(Cc1ccccn1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000809740991 1317886538 /nfs/dbraw/zinc/88/65/38/1317886538.db2.gz MHUDUTCYCFRDTB-UHFFFAOYSA-N 1 0 348.834 3.207 20 5 EGBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[N@H+](CC)C[C@H]1C ZINC000910282280 1318596129 /nfs/dbraw/zinc/59/61/29/1318596129.db2.gz GUGXJZZIYLONMC-WBVHZDCISA-N 1 0 347.459 3.106 20 5 EGBDRO CCC(=O)c1ccc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000813630553 1318609896 /nfs/dbraw/zinc/60/98/96/1318609896.db2.gz NPWFXACHGKSTEH-AWEZNQCLSA-N 1 0 345.443 3.498 20 5 EGBDRO O=C(CC1CCCCC1)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001021811366 1318694363 /nfs/dbraw/zinc/69/43/63/1318694363.db2.gz UDWRWYDDSMLGSG-CALCHBBNSA-N 1 0 345.443 3.302 20 5 EGBDRO C[C@H]([NH3+])c1ccc(NC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000911845416 1318771965 /nfs/dbraw/zinc/77/19/65/1318771965.db2.gz KGRVXBKOXWAWPS-MZPVMMEZSA-N 1 0 325.368 3.357 20 5 EGBDRO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Br)CC1CCOCC1 ZINC000930155041 1328800241 /nfs/dbraw/zinc/80/02/41/1328800241.db2.gz JVDDGSGZSVLMSD-UHFFFAOYSA-N 1 0 343.221 3.216 20 5 EGBDRO C[C@H]([NH2+]C[C@H](c1cccc(F)c1)N(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815553375 1319015268 /nfs/dbraw/zinc/01/52/68/1319015268.db2.gz YKMPSRJADUKRPD-KPZWWZAWSA-N 1 0 346.406 3.270 20 5 EGBDRO Cc1cccn2cc(CC[NH2+][C@@H](C)c3ccc(N)c([N+](=O)[O-])c3)nc12 ZINC000815585386 1319023174 /nfs/dbraw/zinc/02/31/74/1319023174.db2.gz GJFALOINVLLHJO-ZDUSSCGKSA-N 1 0 339.399 3.026 20 5 EGBDRO C[C@H]1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC001022998705 1319209350 /nfs/dbraw/zinc/20/93/50/1319209350.db2.gz LZJOBJLJLYAYLT-SZKQYQKASA-N 1 0 345.443 3.158 20 5 EGBDRO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Br)C1CCOCC1 ZINC000930225577 1328815748 /nfs/dbraw/zinc/81/57/48/1328815748.db2.gz IEOGCCLYULAMJM-JTQLQIEISA-N 1 0 343.221 3.262 20 5 EGBDRO C[C@H](CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1C ZINC000915600691 1319505557 /nfs/dbraw/zinc/50/55/57/1319505557.db2.gz WAUIGFAGDYEBLD-NWDGAFQWSA-N 1 0 339.823 3.241 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CC2(c3ccccc3)CCC2)c1 ZINC000818945536 1319584749 /nfs/dbraw/zinc/58/47/49/1319584749.db2.gz JFSFHBTWPJRWCF-SFHVURJKSA-N 1 0 326.396 3.340 20 5 EGBDRO CCN(CC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1C ZINC000818959651 1319590492 /nfs/dbraw/zinc/59/04/92/1319590492.db2.gz PVCXWWRMMQYHOF-IBGZPJMESA-N 1 0 343.427 3.053 20 5 EGBDRO Cc1cccc(C)c1OC[C@@H](C)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818975263 1319601061 /nfs/dbraw/zinc/60/10/61/1319601061.db2.gz VJVAEXBXLGINPU-CRAIPNDOSA-N 1 0 344.411 3.302 20 5 EGBDRO COc1ccc(CC[C@H](C)[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000818981196 1319601416 /nfs/dbraw/zinc/60/14/16/1319601416.db2.gz SAGIMNSILJMHEF-LIRRHRJNSA-N 1 0 344.411 3.248 20 5 EGBDRO COc1ccc(C(C)(C)C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000818985893 1319604892 /nfs/dbraw/zinc/60/48/92/1319604892.db2.gz ZINFTEXBLZGRCN-GOSISDBHSA-N 1 0 344.411 3.204 20 5 EGBDRO Cc1csc(CCCC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000819006656 1319611986 /nfs/dbraw/zinc/61/19/86/1319611986.db2.gz GUTXGVATOKHGFA-HNNXBMFYSA-N 1 0 335.429 3.006 20 5 EGBDRO CC(C)c1ccccc1OCC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819052311 1319623064 /nfs/dbraw/zinc/62/30/64/1319623064.db2.gz CGYGNJPMQPJPHN-GOSISDBHSA-N 1 0 344.411 3.420 20 5 EGBDRO Cc1ccc(NCCC[NH2+]C[C@H](O)c2ccccc2F)c([N+](=O)[O-])c1 ZINC000819092811 1319633797 /nfs/dbraw/zinc/63/37/97/1319633797.db2.gz FCRKQFJZMCMVND-SFHVURJKSA-N 1 0 347.390 3.168 20 5 EGBDRO CCC(CC)c1cc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)on1 ZINC000819105318 1319637237 /nfs/dbraw/zinc/63/72/37/1319637237.db2.gz DYRAJESBYLZPIS-KRWDZBQOSA-N 1 0 333.388 3.310 20 5 EGBDRO CCC(CC)(C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])SC ZINC000819119549 1319640829 /nfs/dbraw/zinc/64/08/29/1319640829.db2.gz XLQFNIREVGSSBB-UHFFFAOYSA-N 1 0 339.461 3.435 20 5 EGBDRO CC[C@@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)Oc1ccccc1C ZINC000819136602 1319644801 /nfs/dbraw/zinc/64/48/01/1319644801.db2.gz LGCZUFNHNSIIDW-ZWKOTPCHSA-N 1 0 344.411 3.384 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2CCOC3(CCCCC3)C2)c1 ZINC000819174043 1319655978 /nfs/dbraw/zinc/65/59/78/1319655978.db2.gz OAZKXNKEMNIFRH-NVXWUHKLSA-N 1 0 334.416 3.100 20 5 EGBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OCC[NH+]1CCCCC1 ZINC000916550054 1319671860 /nfs/dbraw/zinc/67/18/60/1319671860.db2.gz HYRPBUUCTOJFQT-CYBMUJFWSA-N 1 0 338.429 3.105 20 5 EGBDRO CSCc1ccc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000819308089 1319694412 /nfs/dbraw/zinc/69/44/12/1319694412.db2.gz DTONEDAXFXQJHO-KRWDZBQOSA-N 1 0 332.425 3.281 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@H](c2ccccc2)C2CC2)cc1 ZINC000819329627 1319700246 /nfs/dbraw/zinc/70/02/46/1319700246.db2.gz JRJWADGTONPRRQ-MOPGFXCFSA-N 1 0 326.396 3.412 20 5 EGBDRO C[C@]1(CC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1(Cl)Cl ZINC000819350865 1319706321 /nfs/dbraw/zinc/70/63/21/1319706321.db2.gz STMKZGVDWMVSIF-OLZOCXBDSA-N 1 0 333.215 3.192 20 5 EGBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](C[C@H]3CCCO3)CC2)c(Cl)c1 ZINC000917064301 1319747417 /nfs/dbraw/zinc/74/74/17/1319747417.db2.gz NPXFKIZCEQPREW-CQSZACIVSA-N 1 0 339.823 3.304 20 5 EGBDRO CCn1c(SC[C@@H]2CCC[N@@H+]2C)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000917250923 1319775456 /nfs/dbraw/zinc/77/54/56/1319775456.db2.gz QYFFAINARNNBCE-AWEZNQCLSA-N 1 0 347.444 3.060 20 5 EGBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000820386637 1319882534 /nfs/dbraw/zinc/88/25/34/1319882534.db2.gz SXVNDJHGJPSBFX-HNNXBMFYSA-N 1 0 333.432 3.016 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000821424311 1320012268 /nfs/dbraw/zinc/01/22/68/1320012268.db2.gz HLOBBCBWCFYSIE-AWEZNQCLSA-N 1 0 333.432 3.014 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000821452483 1320014040 /nfs/dbraw/zinc/01/40/40/1320014040.db2.gz BAMXAPPQAZKKSF-UHFFFAOYSA-N 1 0 347.459 3.406 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CC[C@H]3CC3(Cl)Cl)C2)nc1 ZINC000822750998 1320120723 /nfs/dbraw/zinc/12/07/23/1320120723.db2.gz SNMROAAYNQWQMW-QWRGUYRKSA-N 1 0 345.230 3.060 20 5 EGBDRO C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1(CNC(=O)OC(C)(C)C)CCC1 ZINC000824932858 1320298299 /nfs/dbraw/zinc/29/82/99/1320298299.db2.gz YLEWJDLFONXPNF-UHFFFAOYSA-N 1 0 349.431 3.474 20 5 EGBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000825877566 1320367970 /nfs/dbraw/zinc/36/79/70/1320367970.db2.gz HLCVQTVURZZJSR-LBPRGKRZSA-N 1 0 339.823 3.161 20 5 EGBDRO C[NH2+][C@H](CC(C)(C)C)C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000826652317 1320393182 /nfs/dbraw/zinc/39/31/82/1320393182.db2.gz ORCFVMRUHDNIQQ-CQSZACIVSA-N 1 0 341.839 3.231 20 5 EGBDRO COc1cc(C[NH2+][C@@H]2C=CCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000826942189 1320415535 /nfs/dbraw/zinc/41/55/35/1320415535.db2.gz NSMZWLABWMDKAZ-LLVKDONJSA-N 1 0 328.315 3.056 20 5 EGBDRO CCC[N@@H+]1CC[C@H](NCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000827519717 1320458302 /nfs/dbraw/zinc/45/83/02/1320458302.db2.gz SZNFWWXCDLEVKO-LBPRGKRZSA-N 1 0 332.231 3.476 20 5 EGBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1cc(Cl)c(C)cc1[N+](=O)[O-] ZINC000836789383 1320534960 /nfs/dbraw/zinc/53/49/60/1320534960.db2.gz KUCPTPHJFKIUKJ-GFCCVEGCSA-N 1 0 341.839 3.407 20 5 EGBDRO CC(C)(C)OC(=O)[C@@]1(C)CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000839105301 1320871113 /nfs/dbraw/zinc/87/11/13/1320871113.db2.gz QNGPXCJVMAKDTA-KRWDZBQOSA-N 1 0 338.379 3.288 20 5 EGBDRO C[C@H](Cc1cccc(F)c1)[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000839195953 1320892122 /nfs/dbraw/zinc/89/21/22/1320892122.db2.gz PVTFGADVLVPOPS-FZKQIMNGSA-N 1 0 332.375 3.330 20 5 EGBDRO CO[C@H]1CC[N@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)CC1(C)C ZINC000840123981 1321033812 /nfs/dbraw/zinc/03/38/12/1321033812.db2.gz IWKUFKXFUBCXBR-KRWDZBQOSA-N 1 0 344.415 3.163 20 5 EGBDRO O=[N+]([O-])c1ccc2c(cnn2C[N@@H+]2CCSC3(CCC3)CC2)c1 ZINC000840173877 1321043553 /nfs/dbraw/zinc/04/35/53/1321043553.db2.gz HMPBFOGFIDOTPR-UHFFFAOYSA-N 1 0 332.429 3.264 20 5 EGBDRO O=C(NCCC[NH2+]C1CCCCC1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000842233646 1321364484 /nfs/dbraw/zinc/36/44/84/1321364484.db2.gz YWDCRZZGUIOZLI-UHFFFAOYSA-N 1 0 339.823 3.290 20 5 EGBDRO CCC(=O)c1ccc(N2CCC([NH2+]CC3CC3)CC2)c([N+](=O)[O-])c1 ZINC000842277920 1321366706 /nfs/dbraw/zinc/36/67/06/1321366706.db2.gz ROUMTYGTGMRGON-UHFFFAOYSA-N 1 0 331.416 3.156 20 5 EGBDRO Cc1nn(C[N@H+]2CC3(C[C@H]2C)CCOCC3)c2cc([N+](=O)[O-])ccc12 ZINC000842638605 1321410998 /nfs/dbraw/zinc/41/09/98/1321410998.db2.gz MSFYEAIVKAXOOY-CYBMUJFWSA-N 1 0 344.415 3.101 20 5 EGBDRO CC(C)[N@@H+]1CCC[C@@H](COC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000842832219 1321438095 /nfs/dbraw/zinc/43/80/95/1321438095.db2.gz AZDVGNBBRCFMIT-CYBMUJFWSA-N 1 0 345.399 3.353 20 5 EGBDRO CC(C)[C@H]([NH3+])CCN(C)Cc1c(Br)cccc1[N+](=O)[O-] ZINC000843055931 1321462927 /nfs/dbraw/zinc/46/29/27/1321462927.db2.gz ARDXZZWXGMGPBV-CYBMUJFWSA-N 1 0 344.253 3.163 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1-c1noc(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC000843187048 1321484257 /nfs/dbraw/zinc/48/42/57/1321484257.db2.gz JVZYZOZUIFRHFT-YHWZYXNKSA-N 1 0 328.372 3.026 20 5 EGBDRO Cc1c(-c2noc(C[C@H](C)[C@@H]3CCC[NH2+]C3)n2)cccc1[N+](=O)[O-] ZINC000843238562 1321494492 /nfs/dbraw/zinc/49/44/92/1321494492.db2.gz UYBVSQBTRSLDAC-WCQYABFASA-N 1 0 330.388 3.131 20 5 EGBDRO CC(C)(C)[N@@H+]1CC[C@H]1COC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000845739493 1321739893 /nfs/dbraw/zinc/73/98/93/1321739893.db2.gz HZDPTYLPGRXBGG-ZDUSSCGKSA-N 1 0 338.429 3.103 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1cnn(C[N@@H+]2CCC[C@H]2[C@@H]2CCCO2)c1 ZINC000848487847 1321964566 /nfs/dbraw/zinc/96/45/66/1321964566.db2.gz YZSLNGYKLRLXLX-ROUUACIJSA-N 1 0 342.399 3.059 20 5 EGBDRO CCC(C)(C)[NH+]1CCN(Cn2nc(C)c3cc([N+](=O)[O-])ccc32)CC1 ZINC000848495394 1321964714 /nfs/dbraw/zinc/96/47/14/1321964714.db2.gz GIVXXZKOMZRGPN-UHFFFAOYSA-N 1 0 345.447 3.017 20 5 EGBDRO C[N@@H+]1CCCC[C@@H]1CCOC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000919212038 1322039448 /nfs/dbraw/zinc/03/94/48/1322039448.db2.gz QWNXACVBXUAFNA-CYBMUJFWSA-N 1 0 332.356 3.372 20 5 EGBDRO COc1ccc(NC(=[NH2+])NCc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000849086837 1322072844 /nfs/dbraw/zinc/07/28/44/1322072844.db2.gz XXHUFEMHLBSVOL-UHFFFAOYSA-N 1 0 334.763 3.393 20 5 EGBDRO C[S@](=O)[C@@H]1CCC[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000850354881 1322232014 /nfs/dbraw/zinc/23/20/14/1322232014.db2.gz BVSSMXILIFXDGX-FTFVXWMISA-N 1 0 330.837 3.028 20 5 EGBDRO COC(=O)N(C)CC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000850389828 1322237327 /nfs/dbraw/zinc/23/73/27/1322237327.db2.gz IDEFKERCEVCJHA-UHFFFAOYSA-N 1 0 349.412 3.111 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@](C)(O)c1cccs1 ZINC000850438772 1322249663 /nfs/dbraw/zinc/24/96/63/1322249663.db2.gz ZHWRTWKHIGRYBD-MEDUHNTESA-N 1 0 336.413 3.223 20 5 EGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(O)(Cc2ccccn2)CC1 ZINC000930983077 1329020994 /nfs/dbraw/zinc/02/09/94/1329020994.db2.gz NBBRXKFNTLLIBH-HNNXBMFYSA-N 1 0 341.411 3.120 20 5 EGBDRO Cc1nn(C)c(C[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])c1Cl ZINC000921975751 1322433660 /nfs/dbraw/zinc/43/36/60/1322433660.db2.gz KAQDFLHIDBDYHX-UHFFFAOYSA-N 1 0 343.214 3.276 20 5 EGBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000931039037 1329034762 /nfs/dbraw/zinc/03/47/62/1329034762.db2.gz UYAFTKOBRSUBEI-YGRLFVJLSA-N 1 0 331.338 3.138 20 5 EGBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000931039034 1329034833 /nfs/dbraw/zinc/03/48/33/1329034833.db2.gz UYAFTKOBRSUBEI-HZMBPMFUSA-N 1 0 331.338 3.138 20 5 EGBDRO O=[N+]([O-])c1cc(C(F)F)ccc1N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000853014638 1323261706 /nfs/dbraw/zinc/26/17/06/1323261706.db2.gz OGDFLCZCLNEOFN-ZDUSSCGKSA-N 1 0 325.359 3.358 20 5 EGBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)NCC[N@H+]1CCC[C@H]1C ZINC000931625427 1329156521 /nfs/dbraw/zinc/15/65/21/1329156521.db2.gz BGODYGOTKOATTR-LLVKDONJSA-N 1 0 340.811 3.162 20 5 EGBDRO CC(C)(C)OC(=O)NCC1CC([NH2+]CCc2ccccc2[N+](=O)[O-])C1 ZINC000925154554 1325067374 /nfs/dbraw/zinc/06/73/74/1325067374.db2.gz QOCYWIMRAGBGCS-UHFFFAOYSA-N 1 0 349.431 3.030 20 5 EGBDRO O=[N+]([O-])c1cn(C[N@@H+]2CCC3(CCCC3)C2)nc1-c1ccccn1 ZINC000853498420 1325106082 /nfs/dbraw/zinc/10/60/82/1325106082.db2.gz BCPLFYVYBPKWEC-UHFFFAOYSA-N 1 0 327.388 3.077 20 5 EGBDRO Cc1ccc(C[N@@H+]2CCC[C@](O)(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000862482509 1329490099 /nfs/dbraw/zinc/49/00/99/1329490099.db2.gz JBZVOVJHFWPFKT-LJQANCHMSA-N 1 0 326.396 3.387 20 5 EGBDRO Cc1cc(Cl)c(C(=O)NC[C@@H]2CCCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000862793826 1329509775 /nfs/dbraw/zinc/50/97/75/1329509775.db2.gz CFEGYFSWZAOARC-LBPRGKRZSA-N 1 0 339.823 3.018 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2C[C@H]2c2ccc(F)cc2F)cc1 ZINC000863583728 1329564761 /nfs/dbraw/zinc/56/47/61/1329564761.db2.gz FLIHDXKSHWRZAE-USXIJHARSA-N 1 0 334.322 3.052 20 5 EGBDRO C[C@H](CNc1cc(F)c([N+](=O)[O-])cc1CO)[N@H+](C)Cc1ccccc1 ZINC000865532646 1329710263 /nfs/dbraw/zinc/71/02/63/1329710263.db2.gz JCISBQOUWSFFGY-CYBMUJFWSA-N 1 0 347.390 3.159 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](C)CC1(C)OCCO1 ZINC000865674141 1329728140 /nfs/dbraw/zinc/72/81/40/1329728140.db2.gz ORKGQABNVMUCCM-AAWPKVBNSA-N 1 0 334.416 3.377 20 5 EGBDRO C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000932275440 1329802876 /nfs/dbraw/zinc/80/28/76/1329802876.db2.gz GLDSVTQFNBZKTL-CRAIPNDOSA-N 1 0 341.411 3.025 20 5 EGBDRO C[C@@H](COCC1CCCCC1)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000932420866 1329813403 /nfs/dbraw/zinc/81/34/03/1329813403.db2.gz JBOJNCMSNABVIU-KBXCAEBGSA-N 1 0 336.432 3.203 20 5 EGBDRO COc1ccc(OCC[NH+]2CCC(CSC)CC2)c([N+](=O)[O-])c1 ZINC000932592340 1329825757 /nfs/dbraw/zinc/82/57/57/1329825757.db2.gz VJNQOACCFVRSLF-UHFFFAOYSA-N 1 0 340.445 3.057 20 5 EGBDRO C[NH+](C)CC[C@H](NC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000932987722 1329853080 /nfs/dbraw/zinc/85/30/80/1329853080.db2.gz WYJJBHIXPQDPAG-ULQDDVLXSA-N 1 0 347.459 3.181 20 5 EGBDRO O=C(CC[N@H+](Cc1ccoc1)C1CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000934004125 1329939785 /nfs/dbraw/zinc/93/97/85/1329939785.db2.gz JZPSZCNKXHIYOH-UHFFFAOYSA-N 1 0 329.356 3.181 20 5 EGBDRO Cc1cc(C)n(CCC[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])n1 ZINC000866215556 1330079810 /nfs/dbraw/zinc/07/98/10/1330079810.db2.gz KEJSLUDSSXICNY-GFCCVEGCSA-N 1 0 334.395 3.158 20 5 EGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCc1cn2ccccc2n1 ZINC000866226319 1330080717 /nfs/dbraw/zinc/08/07/17/1330080717.db2.gz LUIXNBOAIIJAFH-ZDUSSCGKSA-N 1 0 342.374 3.145 20 5 EGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H](O)c1cccc(F)c1 ZINC000866241734 1330084073 /nfs/dbraw/zinc/08/40/73/1330084073.db2.gz FWRCKKROCMCSNH-PIGZYNQJSA-N 1 0 336.338 3.127 20 5 EGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCn1cnc2ccccc21 ZINC000866247630 1330084935 /nfs/dbraw/zinc/08/49/35/1330084935.db2.gz WOWGEGPPMDCRTQ-CYBMUJFWSA-N 1 0 342.374 3.304 20 5 EGBDRO C[C@H](COCC(F)(F)F)[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866250373 1330085287 /nfs/dbraw/zinc/08/52/87/1330085287.db2.gz ZJKMGGHETSPWCV-NXEZZACHSA-N 1 0 338.301 3.222 20 5 EGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1ccc2cnn(C)c2c1 ZINC000866365673 1330102648 /nfs/dbraw/zinc/10/26/48/1330102648.db2.gz VEYNOCZUWMPZIH-GFCCVEGCSA-N 1 0 342.374 3.341 20 5 EGBDRO Cc1cc([C@H](C)NC(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)c(C)s1 ZINC000867957433 1330233122 /nfs/dbraw/zinc/23/31/22/1330233122.db2.gz MMBCBCNIPLPWDD-GTNSWQLSSA-N 1 0 347.440 3.324 20 5 EGBDRO O=C(N[C@H]1CC[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CC1)C1CC=CC1 ZINC001034612100 1342647799 /nfs/dbraw/zinc/64/77/99/1342647799.db2.gz IECXWDBDGQHJDL-SHTZXODSSA-N 1 0 349.456 3.140 20 5 EGBDRO O=C(N[C@H]1CC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1)C1=CCCC1 ZINC001034622184 1342655044 /nfs/dbraw/zinc/65/50/44/1342655044.db2.gz MMLFJPXWIJRFMD-QAQDUYKDSA-N 1 0 343.427 3.222 20 5 EGBDRO CC(C)C(=O)N1CCC2(C1)CC[NH+](Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC001040612791 1345555535 /nfs/dbraw/zinc/55/55/35/1345555535.db2.gz JKSXEWUTDFNDQK-UHFFFAOYSA-N 1 0 345.443 3.065 20 5 EGBDRO CC[C@H]([NH2+]CCC(=O)N1CCC[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC001324944137 1387841071 /nfs/dbraw/zinc/84/10/71/1387841071.db2.gz CRHFJQIFUKODAW-YOEHRIQHSA-N 1 0 333.432 3.284 20 5 EGBDRO CN(Cc1c2ccccc2cc2ccccc21)C(=O)C[N@@H+]1CC[C@H](O)C1 ZINC001186044663 1387854757 /nfs/dbraw/zinc/85/47/57/1387854757.db2.gz HTUVKQWBDXNSQU-SFHVURJKSA-N 1 0 348.446 3.018 20 5 EGBDRO CC/C=C(/C)C(=O)N1CCC([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC001199575896 1369239105 /nfs/dbraw/zinc/23/91/05/1369239105.db2.gz BXRROZVRANYXFQ-QCDXTXTGSA-N 1 0 337.445 3.093 20 5 EGBDRO CCCCC(=O)N1CCC(C[NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC001204516432 1370499707 /nfs/dbraw/zinc/49/97/07/1370499707.db2.gz ALQRCYDRDXGWFL-UHFFFAOYSA-N 1 0 339.461 3.175 20 5 EGBDRO CC/C(C)=C\C(=O)N1CCC(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001205197031 1370676490 /nfs/dbraw/zinc/67/64/90/1370676490.db2.gz ZPEFTTABVOHXIA-QINSGFPZSA-N 1 0 345.443 3.279 20 5 EGBDRO Nc1ccc2cc3ccc(Nc4cnn(C5COC5)c4)cc3[nH+]c2c1 ZINC001205577507 1370797673 /nfs/dbraw/zinc/79/76/73/1370797673.db2.gz ILRRGPRHKKOGJN-UHFFFAOYSA-N 1 0 331.379 3.482 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC001118269690 1371155461 /nfs/dbraw/zinc/15/54/61/1371155461.db2.gz LTIXWOIWENLFBO-UHFFFAOYSA-N 1 0 345.443 3.126 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1Cc2ccccc2C2(CCC2)C1 ZINC001119313610 1371306484 /nfs/dbraw/zinc/30/64/84/1371306484.db2.gz TVSRBJWLSVRCTE-UHFFFAOYSA-N 1 0 326.400 3.037 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H](O)c1ccccc1C(F)(F)F ZINC001120464556 1371585321 /nfs/dbraw/zinc/58/53/21/1371585321.db2.gz CSFMDRXYBALWMY-OAHLLOKOSA-N 1 0 340.301 3.437 20 5 EGBDRO C/C=C(\C)C(=O)NC1CC2(C1)CC([NH2+]Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001120907402 1371802239 /nfs/dbraw/zinc/80/22/39/1371802239.db2.gz IMWZMWDQUKLCBU-QLKAYGNNSA-N 1 0 343.427 3.078 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1C[C@@H](CC[NH3+])c2ccccc21 ZINC001122193471 1372198653 /nfs/dbraw/zinc/19/86/53/1372198653.db2.gz ADIMWKUCKPJETA-CQSZACIVSA-N 1 0 339.395 3.304 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1Nc1cccc(N2CC[NH+](C)CC2)c1 ZINC001210447141 1372355631 /nfs/dbraw/zinc/35/56/31/1372355631.db2.gz YKORYDMOPDPCDM-UHFFFAOYSA-N 1 0 342.399 3.099 20 5 EGBDRO [NH3+][C@H](Cc1nnc(-c2ccc(F)cc2)o1)c1cccc([N+](=O)[O-])c1 ZINC001217734455 1373497640 /nfs/dbraw/zinc/49/76/40/1373497640.db2.gz XYJFGTLNFYCHEA-CQSZACIVSA-N 1 0 328.303 3.026 20 5 EGBDRO O=[N+]([O-])c1cc(F)c(Br)c(O[C@@H]2CCCC[NH2+]C2)c1 ZINC001217975127 1373523328 /nfs/dbraw/zinc/52/33/28/1373523328.db2.gz MBRYFDVTFOAWCK-SECBINFHSA-N 1 0 333.157 3.017 20 5 EGBDRO Cc1cc(O[C@@H]2CCC[NH2+]CC2)c([N+](=O)[O-])cc1Br ZINC001217994657 1373529380 /nfs/dbraw/zinc/52/93/80/1373529380.db2.gz JSZRLYQNYUJCEX-SNVBAGLBSA-N 1 0 329.194 3.187 20 5 EGBDRO C[C@@H]1CC[NH2+]CC[C@@H]1Oc1ccc(Br)cc1[N+](=O)[O-] ZINC001218024473 1373540309 /nfs/dbraw/zinc/54/03/09/1373540309.db2.gz AGZTWVCHQNDIOP-SKDRFNHKSA-N 1 0 329.194 3.124 20 5 EGBDRO C[C@H]1CC[NH2+]CC[C@@H]1Oc1ccc(Br)c([N+](=O)[O-])c1 ZINC001218025442 1373541066 /nfs/dbraw/zinc/54/10/66/1373541066.db2.gz FHSNZGGBFICURR-ZANVPECISA-N 1 0 329.194 3.124 20 5 EGBDRO Cc1c(Cl)cc([N+](=O)[O-])c(O[C@@H]2C[NH2+][C@H](C)C2)c1Br ZINC001218048330 1373547589 /nfs/dbraw/zinc/54/75/89/1373547589.db2.gz VDWIOCUUQDXBCZ-SVRRBLITSA-N 1 0 349.612 3.448 20 5 EGBDRO O=[N+]([O-])c1cc2c(cc1Cl)ncnc2O[C@@H]1CCC[C@@]12CC[NH2+]C2 ZINC001218092246 1373558695 /nfs/dbraw/zinc/55/86/95/1373558695.db2.gz QNTGTRXFXQEYDW-ZBFHGGJFSA-N 1 0 348.790 3.102 20 5 EGBDRO O=[N+]([O-])c1ccc(OC2CC3(C2)CC[NH2+]CC3)cc1Br ZINC001218102580 1373561248 /nfs/dbraw/zinc/56/12/48/1373561248.db2.gz CCSZPZNFRXEJMV-UHFFFAOYSA-N 1 0 341.205 3.268 20 5 EGBDRO O=[N+]([O-])c1ccc(Br)c(OC2CC3(C2)CC[NH2+]CC3)c1 ZINC001218102617 1373561574 /nfs/dbraw/zinc/56/15/74/1373561574.db2.gz AGULENZEVUWBHM-UHFFFAOYSA-N 1 0 341.205 3.268 20 5 EGBDRO O=[N+]([O-])c1cc(OC(F)(F)F)ccc1O[C@@H]1CCC[C@@H]2C[NH2+]C[C@@H]21 ZINC001218145162 1373568556 /nfs/dbraw/zinc/56/85/56/1373568556.db2.gz ZVCUZQBNLNWCEM-SUZMYJTESA-N 1 0 346.305 3.260 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)cc(Br)c1O[C@H]1CCC12C[NH2+]C2 ZINC001218244009 1373582437 /nfs/dbraw/zinc/58/24/37/1373582437.db2.gz JTAZORXYNSWZHH-JTQLQIEISA-N 1 0 347.596 3.142 20 5 EGBDRO O=[N+]([O-])c1cc2nc(O[C@H]3CC[NH2+]C4(CCC4)C3)[nH]c2cc1Cl ZINC001218309107 1373592109 /nfs/dbraw/zinc/59/21/09/1373592109.db2.gz KFIJZHYBNVPQSE-VIFPVBQESA-N 1 0 336.779 3.178 20 5 EGBDRO Nc1ccc(O[C@@H]2CCC[N@H+](Cc3ccccc3F)C2)cc1[N+](=O)[O-] ZINC001218391311 1373604988 /nfs/dbraw/zinc/60/49/88/1373604988.db2.gz UDZRAHMPUNYJKE-OAHLLOKOSA-N 1 0 345.374 3.360 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCCCC2)cc1O[C@@H]1C[NH2+]CCC12CC2 ZINC001218404475 1373608947 /nfs/dbraw/zinc/60/89/47/1373608947.db2.gz NPOIBLVDHREANE-QGZVFWFLSA-N 1 0 331.416 3.106 20 5 EGBDRO Cc1ccnc(N2CCC(Oc3cccc([N+](=O)[O-])c3F)CC2)c1 ZINC001225795255 1375157020 /nfs/dbraw/zinc/15/70/20/1375157020.db2.gz DZPNYBDTDFCQRA-UHFFFAOYSA-N 1 0 331.347 3.485 20 5 EGBDRO C[NH+]1CCC2(CC[C@@H](COc3ccc([N+](=O)[O-])cc3Cl)O2)CC1 ZINC001226762336 1375328072 /nfs/dbraw/zinc/32/80/72/1375328072.db2.gz QNXPQQIPAJWBTJ-ZDUSSCGKSA-N 1 0 340.807 3.270 20 5 EGBDRO O=C(CCC1CCC1)NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001226787105 1375335199 /nfs/dbraw/zinc/33/51/99/1375335199.db2.gz UDRHCXRAAREONT-UHFFFAOYSA-N 1 0 345.443 3.256 20 5 EGBDRO O=[N+]([O-])c1cnc(O[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1Cl ZINC001226918396 1375357996 /nfs/dbraw/zinc/35/79/96/1375357996.db2.gz UWWMLBVQKHTNOA-ZDUSSCGKSA-N 1 0 333.775 3.297 20 5 EGBDRO O=[N+]([O-])c1ccc(C(F)(F)F)nc1OC1CC[NH+](C2CC2)CC1 ZINC001227244405 1375412106 /nfs/dbraw/zinc/41/21/06/1375412106.db2.gz ZFBOARYTAAJRKT-UHFFFAOYSA-N 1 0 331.294 3.014 20 5 EGBDRO C[C@@H](Oc1ccccc1[N+](=O)[O-])[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001227479692 1375435632 /nfs/dbraw/zinc/43/56/32/1375435632.db2.gz HXQSPXVSZMQACN-BEFAXECRSA-N 1 0 342.395 3.263 20 5 EGBDRO C[NH+](C)CCc1ccc(O[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001229656910 1375873055 /nfs/dbraw/zinc/87/30/55/1375873055.db2.gz CIZYIPWTUXFEFT-IBGZPJMESA-N 1 0 326.396 3.245 20 5 EGBDRO CC(=O)Cc1c(F)c(O[C@H]2CC[C@H]([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC001230795782 1376151932 /nfs/dbraw/zinc/15/19/32/1376151932.db2.gz AYAQEDAFDRPLRO-JOCQHMNTSA-N 1 0 338.379 3.117 20 5 EGBDRO O=C1CC[C@@]2(CCC[N@H+](Cc3ccc4ccc5cccnc5c4n3)C2)O1 ZINC001232225843 1376419062 /nfs/dbraw/zinc/41/90/62/1376419062.db2.gz QEBZPSIRZGYQLQ-OAQYLSRUSA-N 1 0 347.418 3.455 20 5 EGBDRO CC(=O)c1cc(F)c(Br)cc1O[C@H](C)C[N+](C)(C)C ZINC001233561578 1376670934 /nfs/dbraw/zinc/67/09/34/1376670934.db2.gz MSEKEHGSOAQRKP-SECBINFHSA-N 1 0 333.221 3.264 20 5 EGBDRO CC[NH+]1CCC(C(=O)Nc2cc3cccnc3c3ncccc23)CC1 ZINC001146782554 1378918020 /nfs/dbraw/zinc/91/80/20/1378918020.db2.gz YYNRDOOPUZZREQ-UHFFFAOYSA-N 1 0 334.423 3.453 20 5 EGBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1cccc(C(F)F)c1 ZINC001148572302 1379214737 /nfs/dbraw/zinc/21/47/37/1379214737.db2.gz CKCXQRHJAWQNSR-UHFFFAOYSA-N 1 0 349.337 3.052 20 5 EGBDRO CC[NH+](CC)CCNC(=O)c1ccc2oc3ccccc3c(=O)c2c1 ZINC001153415680 1380073770 /nfs/dbraw/zinc/07/37/70/1380073770.db2.gz LTDXACOTLXEHII-UHFFFAOYSA-N 1 0 338.407 3.018 20 5 EGBDRO O=C(CCC1CCCC1)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001154273918 1380244013 /nfs/dbraw/zinc/24/40/13/1380244013.db2.gz ZRTHXQJVHCKATN-UHFFFAOYSA-N 1 0 333.432 3.161 20 5 EGBDRO O=C(C=C1CCCCC1)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001155324577 1380437089 /nfs/dbraw/zinc/43/70/89/1380437089.db2.gz UZNUPTBGHHNMCA-UHFFFAOYSA-N 1 0 331.416 3.081 20 5 EGBDRO COc1cc(C)nc(-n2ccc3cc([C@@H](C)[NH3+])ccc32)c1[N+](=O)[O-] ZINC001155340208 1380438766 /nfs/dbraw/zinc/43/87/66/1380438766.db2.gz ZSFPPZRFBGYHNS-LLVKDONJSA-N 1 0 326.356 3.270 20 5 EGBDRO O=C(NCCC[NH2+]Cc1ccccc1[N+](=O)[O-])C1CCCCCC1 ZINC001155572291 1380469901 /nfs/dbraw/zinc/46/99/01/1380469901.db2.gz CQTKMTMBHGNJBY-UHFFFAOYSA-N 1 0 333.432 3.161 20 5 EGBDRO COc1cc(-n2c(C[NH3+])cc3cc(Cl)ccc32)ncc1[N+](=O)[O-] ZINC001155993244 1380510902 /nfs/dbraw/zinc/51/09/02/1380510902.db2.gz CCZPIUIZAWRLDO-UHFFFAOYSA-N 1 0 332.747 3.054 20 5 EGBDRO O=[N+]([O-])c1cccc(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC001156316788 1380557610 /nfs/dbraw/zinc/55/76/10/1380557610.db2.gz ZCBDZHCNVVCULJ-GVDBMIGSSA-N 1 0 338.411 3.312 20 5 EGBDRO CC(C)[NH+]1CCC(CNc2cnc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC001156495720 1380583912 /nfs/dbraw/zinc/58/39/12/1380583912.db2.gz JWSGIAYELXREQC-UHFFFAOYSA-N 1 0 329.404 3.070 20 5 EGBDRO COc1cc(NC[C@@H](c2ccccc2)[NH+]2CCCC2)ncc1[N+](=O)[O-] ZINC001156531950 1380589430 /nfs/dbraw/zinc/58/94/30/1380589430.db2.gz RNOLXAVZXYFAJV-HNNXBMFYSA-N 1 0 342.399 3.247 20 5 EGBDRO C[N@@H+]1CCC[C@@H]2CN(c3ccc4c(ccc(Cl)c4[N+](=O)[O-])n3)C[C@@H]21 ZINC001157266830 1380828304 /nfs/dbraw/zinc/82/83/04/1380828304.db2.gz XVFRUPREEJBQGO-ABAIWWIYSA-N 1 0 346.818 3.327 20 5 EGBDRO Cc1ccnc(N(Cc2ccccc2)[C@@H]2CCC[NH2+]C2)c1[N+](=O)[O-] ZINC001157427618 1380886067 /nfs/dbraw/zinc/88/60/67/1380886067.db2.gz ZJZKLCKMYOCASJ-MRXNPFEDSA-N 1 0 326.400 3.057 20 5 EGBDRO CC(C)(CC(=O)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1)C1CC1 ZINC001157525558 1380955729 /nfs/dbraw/zinc/95/57/29/1380955729.db2.gz HICVERCAHBSPSK-UHFFFAOYSA-N 1 0 339.461 3.079 20 5 EGBDRO CCC[NH+]1C[C@@H]2CN(c3nc(Cl)c(Cl)cc3[N+](=O)[O-])C[C@H]2C1 ZINC001157689657 1381003192 /nfs/dbraw/zinc/00/31/92/1381003192.db2.gz IHNYUECWLGOIMF-NXEZZACHSA-N 1 0 345.230 3.075 20 5 EGBDRO [NH3+]CC[C@H]1CN(c2ncnc3cccc([N+](=O)[O-])c32)c2ccccc21 ZINC001157751754 1381021513 /nfs/dbraw/zinc/02/15/13/1381021513.db2.gz LTIYLXGXJNVUGV-LBPRGKRZSA-N 1 0 335.367 3.122 20 5 EGBDRO C[NH2+]CCN(c1ccc([N+](=O)[O-])c(-c2ccccc2)n1)C(C)(C)C ZINC001157837707 1381048147 /nfs/dbraw/zinc/04/81/47/1381048147.db2.gz WTDVZHKGNCLGMY-UHFFFAOYSA-N 1 0 328.416 3.481 20 5 EGBDRO Cc1cc(-n2cnc3ccc(C[NH3+])cc32)nc2ccc([N+](=O)[O-])cc12 ZINC001158006916 1381101579 /nfs/dbraw/zinc/10/15/79/1381101579.db2.gz JSFOCSBCSBCVDJ-UHFFFAOYSA-N 1 0 333.351 3.249 20 5 EGBDRO CC1(C)C[C@@H](Nc2ncnc3cccc([N+](=O)[O-])c32)C[C@@](C)(C[NH3+])C1 ZINC001158272226 1381181118 /nfs/dbraw/zinc/18/11/18/1381181118.db2.gz VZQHUSIRLOBKDS-KZULUSFZSA-N 1 0 343.431 3.494 20 5 EGBDRO CC[N@@H+]1CCN(c2nc(Cl)cc(Cl)c2[N+](=O)[O-])C(C)(C)C1 ZINC001158562935 1381301211 /nfs/dbraw/zinc/30/12/11/1381301211.db2.gz OERMGRORSSHUCC-UHFFFAOYSA-N 1 0 333.219 3.217 20 5 EGBDRO CC(C)=CC(=O)NCCC1=CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001159187388 1381724704 /nfs/dbraw/zinc/72/47/04/1381724704.db2.gz MILCNAJXENAOOS-UHFFFAOYSA-N 1 0 343.427 3.199 20 5 EGBDRO Nc1c(F)cccc1N(CC1CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC001160082381 1381992148 /nfs/dbraw/zinc/99/21/48/1381992148.db2.gz UYNXVBKDIGXVCW-UHFFFAOYSA-N 1 0 344.390 3.454 20 5 EGBDRO Cc1cc(Nc2cc([N+](=O)[O-])cnc2C)ccc1OC1CC[NH2+]CC1 ZINC001160236909 1382044165 /nfs/dbraw/zinc/04/41/65/1382044165.db2.gz VOUCHDJZGCFIEJ-UHFFFAOYSA-N 1 0 342.399 3.481 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)nc(NC2CC[NH+](Cc3ccncc3)CC2)c1 ZINC001161101278 1382296378 /nfs/dbraw/zinc/29/63/78/1382296378.db2.gz ULEGEBVPYLKPHN-UHFFFAOYSA-N 1 0 347.806 3.115 20 5 EGBDRO COc1cc(C)nc(NC2CC[NH+](CC(C)(C)C)CC2)c1[N+](=O)[O-] ZINC001161207516 1382342064 /nfs/dbraw/zinc/34/20/64/1382342064.db2.gz RRCLVHXXVMIXPN-UHFFFAOYSA-N 1 0 336.436 3.229 20 5 EGBDRO [NH3+]CCN(c1ccc(F)cc1)c1ccc2ccc([N+](=O)[O-])cc2n1 ZINC001161877224 1382537150 /nfs/dbraw/zinc/53/71/50/1382537150.db2.gz BTZCMIMEQJKRCA-UHFFFAOYSA-N 1 0 326.331 3.379 20 5 EGBDRO COc1nc(C)c([N+](=O)[O-])c(NCC[PH+](C(C)C)C(C)C)n1 ZINC001162358798 1382739820 /nfs/dbraw/zinc/73/98/20/1382739820.db2.gz TYHYLSWBCQWILO-UHFFFAOYSA-N 1 0 328.353 3.412 20 5 EGBDRO [NH3+]C[C@@H]1Cc2ccccc2CN1c1nc2ccccc2cc1[N+](=O)[O-] ZINC001162744466 1382856140 /nfs/dbraw/zinc/85/61/40/1382856140.db2.gz OCUQMDRECRBZMJ-INIZCTEOSA-N 1 0 334.379 3.033 20 5 EGBDRO O=[N+]([O-])c1ccc2nc(N[C@H]3C[NH2+]Cc4ccsc43)ccc2c1 ZINC001163219619 1382995750 /nfs/dbraw/zinc/99/57/50/1382995750.db2.gz CFNUVZBBDLNWQT-AWEZNQCLSA-N 1 0 326.381 3.461 20 5 EGBDRO O=[N+]([O-])c1c(N[C@@H]2C[NH2+]Cc3ccsc32)ccc2ncccc21 ZINC001163228592 1382999242 /nfs/dbraw/zinc/99/92/42/1382999242.db2.gz LDQFMHNTGUUCPP-CQSZACIVSA-N 1 0 326.381 3.461 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@H]2CCO[C@]3(CC[NH2+]C3)C2)c2ccccc21 ZINC001163329152 1383023677 /nfs/dbraw/zinc/02/36/77/1383023677.db2.gz XIEVLTZIKPCMTO-SCLBCKFNSA-N 1 0 327.384 3.071 20 5 EGBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2CCN(C)C[C@@H]2c2ccccc2)n1 ZINC001163669218 1383100101 /nfs/dbraw/zinc/10/01/01/1383100101.db2.gz KHCAWKQZYVRDOO-OAHLLOKOSA-N 1 0 346.818 3.445 20 5 EGBDRO CCOc1cnc(NCc2cccc(C[NH+](C)C)c2)c([N+](=O)[O-])c1 ZINC001163993709 1383144099 /nfs/dbraw/zinc/14/40/99/1383144099.db2.gz UFUKBFWNYKXSIA-UHFFFAOYSA-N 1 0 330.388 3.062 20 5 EGBDRO O=[N+]([O-])c1ccc2ccc(N3CC[NH2+][C@H](Cc4ccccc4)C3)nc2c1 ZINC001164608554 1383207500 /nfs/dbraw/zinc/20/75/00/1383207500.db2.gz TWHGAMBBJJXGFD-QGZVFWFLSA-N 1 0 348.406 3.164 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCC(C3CC[NH+](C)CC3)CC2)n1 ZINC001165066233 1383220844 /nfs/dbraw/zinc/22/08/44/1383220844.db2.gz YNWNNYBYJAKABV-UHFFFAOYSA-N 1 0 332.448 3.165 20 5 EGBDRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1c1ncc([N+](=O)[O-])cc1F ZINC001165200809 1383246684 /nfs/dbraw/zinc/24/66/84/1383246684.db2.gz HWOVPEYFYOGJAP-UONOGXRCSA-N 1 0 344.390 3.228 20 5 EGBDRO O=[N+]([O-])c1cccc2ccc(N3CCC4(CCCC[NH2+]4)CC3)nc21 ZINC001165247580 1383257824 /nfs/dbraw/zinc/25/78/24/1383257824.db2.gz TWKHSHIBAWLYMC-UHFFFAOYSA-N 1 0 326.400 3.256 20 5 EGBDRO CCCC(CCC)C(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001165302079 1383269235 /nfs/dbraw/zinc/26/92/35/1383269235.db2.gz VOISEIDVMHXXDW-UHFFFAOYSA-N 1 0 335.448 3.407 20 5 EGBDRO Cc1cc([N+](=O)[O-])cnc1-n1c2ccc(F)cc2c2c1CC[NH2+]C2 ZINC001167084588 1383535945 /nfs/dbraw/zinc/53/59/45/1383535945.db2.gz LOXAOANXRJHFGT-UHFFFAOYSA-N 1 0 326.331 3.027 20 5 EGBDRO [NH3+]Cc1nn(-c2ccc([N+](=O)[O-])cc2C(F)(F)F)c2ccccc12 ZINC001167698361 1383714632 /nfs/dbraw/zinc/71/46/32/1383714632.db2.gz ZGUVQQRJXHEFFT-UHFFFAOYSA-N 1 0 336.273 3.411 20 5 EGBDRO CC(C)(C)OC(=O)c1ccc(NC2(C)CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC001168185927 1383838163 /nfs/dbraw/zinc/83/81/63/1383838163.db2.gz PNPCSUGMLVKRGE-UHFFFAOYSA-N 1 0 335.404 3.104 20 5 EGBDRO [NH3+]CC[C@H]1CN(c2ncc3cccc([N+](=O)[O-])c3n2)c2ccccc21 ZINC001168544662 1383934006 /nfs/dbraw/zinc/93/40/06/1383934006.db2.gz PVCFMBPWIJLFKS-ZDUSSCGKSA-N 1 0 335.367 3.122 20 5 EGBDRO COc1c(F)cc(N2C[C@H](CC[NH3+])c3ccccc32)cc1[N+](=O)[O-] ZINC001168547851 1383934444 /nfs/dbraw/zinc/93/44/44/1383934444.db2.gz AGRXLZPEGRVSPW-NSHDSACASA-N 1 0 331.347 3.327 20 5 EGBDRO C[NH+](C)CC(C)(C)CNc1nc2cc([N+](=O)[O-])ccc2nc1Cl ZINC001168763017 1383994699 /nfs/dbraw/zinc/99/46/99/1383994699.db2.gz DUBDIGPFHSLIEO-UHFFFAOYSA-N 1 0 337.811 3.191 20 5 EGBDRO Cc1ncn(-c2cc3ccccc3c([N+](=O)[O-])c2)c1CSCC[NH3+] ZINC001168791822 1384006226 /nfs/dbraw/zinc/00/62/26/1384006226.db2.gz IWNRSQAKWKTBIR-UHFFFAOYSA-N 1 0 342.424 3.434 20 5 EGBDRO [NH3+]CCN(c1cccnc1)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC001168836600 1384026874 /nfs/dbraw/zinc/02/68/74/1384026874.db2.gz PFKOGQWINQOZEA-UHFFFAOYSA-N 1 0 326.278 3.105 20 5 EGBDRO N[C@H](c1ccccc1)[C@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccccc1 ZINC001168956864 1384070606 /nfs/dbraw/zinc/07/06/06/1384070606.db2.gz CEUGXWKMYRNYNX-YGWPLHOASA-N 1 0 339.439 3.463 20 5 EGBDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCN1Cc1ccccc1 ZINC001168966009 1384072395 /nfs/dbraw/zinc/07/23/95/1384072395.db2.gz FRJRVIHEZXKRIP-NXWXRZEISA-N 1 0 331.460 3.075 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CCc2cccc(Br)c2)C1 ZINC001168965256 1384072938 /nfs/dbraw/zinc/07/29/38/1384072938.db2.gz YTVVMKMGHYVANZ-TZMCWYRMSA-N 1 0 327.222 3.027 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C2(c3ccc(Br)cc3)CC2)C1 ZINC001168982887 1384078644 /nfs/dbraw/zinc/07/86/44/1384078644.db2.gz JEOXENLRCIIRCL-RISCZKNCSA-N 1 0 339.233 3.473 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CCc2ccc(OCC(F)(F)F)cc2)C1 ZINC001168988254 1384079930 /nfs/dbraw/zinc/07/99/30/1384079930.db2.gz PSYZMMKOQBIUSS-KBPBESRZSA-N 1 0 346.349 3.205 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2ccc(OCC3CCOCC3)cc2)C1 ZINC001168998673 1384082487 /nfs/dbraw/zinc/08/24/87/1384082487.db2.gz PTEXGLVWFFYGFQ-MSOLQXFVSA-N 1 0 348.443 3.027 20 5 EGBDRO Cc1ccc(Cl)cc1N1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169007393 1384086198 /nfs/dbraw/zinc/08/61/98/1384086198.db2.gz NDHHDELWDRPJLH-GDBMZVCRSA-N 1 0 337.851 3.216 20 5 EGBDRO C[N@H+](Cc1ccccc1Br)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169009097 1384087825 /nfs/dbraw/zinc/08/78/25/1384087825.db2.gz VLJVPYVPUCXBSR-YPMHNXCESA-N 1 0 327.222 3.326 20 5 EGBDRO C[C@H]1C[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC[C@@]1(C)c1cccc(O)c1 ZINC001169034015 1384094364 /nfs/dbraw/zinc/09/43/64/1384094364.db2.gz FENWXRGYKCMTIT-MFWIUYSUSA-N 1 0 332.444 3.437 20 5 EGBDRO COC(=O)c1ccc(C2CC[NH+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)cc1 ZINC001169035248 1384095367 /nfs/dbraw/zinc/09/53/67/1384095367.db2.gz JQKWNHNHMDHPKU-RDTXWAMCSA-N 1 0 346.427 3.098 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+](CCO)Cc2ccc(Cl)c(Cl)c2)C1 ZINC001169036562 1384096656 /nfs/dbraw/zinc/09/66/56/1384096656.db2.gz GPALJLVSJBREQJ-YPMHNXCESA-N 1 0 347.242 3.233 20 5 EGBDRO CC[N@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001169039320 1384098629 /nfs/dbraw/zinc/09/86/29/1384098629.db2.gz PMRMOCKNNMAYIZ-GUDVDZBRSA-N 1 0 331.460 3.028 20 5 EGBDRO C[NH+](C)CCC(C)(C)Nc1ccc(-c2cccc([N+](=O)[O-])c2)nn1 ZINC001169716009 1384177327 /nfs/dbraw/zinc/17/73/27/1384177327.db2.gz OCEQZIXJNDKNLS-UHFFFAOYSA-N 1 0 329.404 3.194 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2ccccc2N(C)C)c([N+](=O)[O-])c1 ZINC001170295668 1384284285 /nfs/dbraw/zinc/28/42/85/1384284285.db2.gz DJHNENHGPNCAOP-CQSZACIVSA-N 1 0 343.427 3.390 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+]C[C@@](C)(O)c2ccccc2)c([N+](=O)[O-])c1 ZINC001170298114 1384285275 /nfs/dbraw/zinc/28/52/75/1384285275.db2.gz FPFBBYJDFDHMML-IFXJQAMLSA-N 1 0 344.411 3.032 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+]CCN2CCCCCC2)c([N+](=O)[O-])c1 ZINC001170297560 1384285428 /nfs/dbraw/zinc/28/54/28/1384285428.db2.gz PJWOYFDIZZKTOH-OAHLLOKOSA-N 1 0 335.448 3.000 20 5 EGBDRO COc1ccc(C[C@H](C)NC(=[NH2+])c2cccc(C)c2)c([N+](=O)[O-])c1 ZINC001170315519 1384289493 /nfs/dbraw/zinc/28/94/93/1384289493.db2.gz YALLJCDMQJZKNL-ZDUSSCGKSA-N 1 0 327.384 3.458 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+][C@H](C)Cc2cccc(O)c2)c([N+](=O)[O-])c1 ZINC001170317455 1384290057 /nfs/dbraw/zinc/29/00/57/1384290057.db2.gz IUWMLMWGHXCHDN-KGLIPLIRSA-N 1 0 344.411 3.461 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+][C@@](C)(CO)c2ccccc2)c([N+](=O)[O-])c1 ZINC001170317718 1384290097 /nfs/dbraw/zinc/29/00/97/1384290097.db2.gz KDTNNPAMLAYXLE-KUHUBIRLSA-N 1 0 344.411 3.032 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+]Cc2cncn2C(C)C)c([N+](=O)[O-])c1 ZINC001170323395 1384290839 /nfs/dbraw/zinc/29/08/39/1384290839.db2.gz JKKVOXMMEHZIKW-ZDUSSCGKSA-N 1 0 332.404 3.102 20 5 EGBDRO COc1ccc(C[C@@H](C)[N@H+](C)Cc2cccc(O)c2)c([N+](=O)[O-])c1 ZINC001170328392 1384292065 /nfs/dbraw/zinc/29/20/65/1384292065.db2.gz KNIOJOOKOLFTPM-CYBMUJFWSA-N 1 0 330.384 3.372 20 5 EGBDRO COc1ccc(C[C@H](C)[N@H+](C)Cc2ccc(C)nc2)c([N+](=O)[O-])c1 ZINC001170351508 1384298090 /nfs/dbraw/zinc/29/80/90/1384298090.db2.gz CUZAPKYHFNOKCZ-AWEZNQCLSA-N 1 0 329.400 3.370 20 5 EGBDRO COc1ccc(C[C@@H](C)[N@H+](CCCCCO)C(C)C)c([N+](=O)[O-])c1 ZINC001170354872 1384299261 /nfs/dbraw/zinc/29/92/61/1384299261.db2.gz QYEXGMTVYFDRFP-OAHLLOKOSA-N 1 0 338.448 3.407 20 5 EGBDRO [NH3+][C@@H]1CCc2c3ccccc3n(-c3cccc4ncc([N+](=O)[O-])n43)c2C1 ZINC001171099813 1384445706 /nfs/dbraw/zinc/44/57/06/1384445706.db2.gz PXEAUWSBPWYIHC-GFCCVEGCSA-N 1 0 347.378 3.002 20 5 EGBDRO COc1ccc([N+](=O)[O-])nc1-n1cc(C[C@H](C)[NH3+])c2ccc(C)cc21 ZINC001171169104 1384459388 /nfs/dbraw/zinc/45/93/88/1384459388.db2.gz NQLBZUBJZNRFMD-LBPRGKRZSA-N 1 0 340.383 3.140 20 5 EGBDRO CC(C)(C)c1cnc(-n2cc3ccc(C[NH3+])cc3n2)c([N+](=O)[O-])c1 ZINC001171321458 1384494533 /nfs/dbraw/zinc/49/45/33/1384494533.db2.gz RVYOHIATBFYTJC-UHFFFAOYSA-N 1 0 325.372 3.085 20 5 EGBDRO [NH3+]C[C@H]1COc2ccccc2N1c1nccc2c1cccc2[N+](=O)[O-] ZINC001171388924 1384510151 /nfs/dbraw/zinc/51/01/51/1384510151.db2.gz DAYKKCPMRBYGCT-LBPRGKRZSA-N 1 0 336.351 3.001 20 5 EGBDRO COc1ccnc(C[NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)c1 ZINC001172899029 1384873581 /nfs/dbraw/zinc/87/35/81/1384873581.db2.gz KXEFUMFLNNEPLF-HNNXBMFYSA-N 1 0 327.384 3.036 20 5 EGBDRO [NH3+]CCc1ccc(N[C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)cc1 ZINC001172900632 1384874085 /nfs/dbraw/zinc/87/40/85/1384874085.db2.gz XBXQWBLGAICELT-SFHVURJKSA-N 1 0 325.412 3.456 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]Cc1ccccc1CO)CC2 ZINC001172899663 1384874197 /nfs/dbraw/zinc/87/41/97/1384874197.db2.gz BNGVSJORBHKVAS-SFHVURJKSA-N 1 0 326.396 3.124 20 5 EGBDRO CC(C)(C)OC(=O)CC[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172900380 1384874237 /nfs/dbraw/zinc/87/42/37/1384874237.db2.gz SSIMCIQGULBJEN-OAHLLOKOSA-N 1 0 334.416 3.164 20 5 EGBDRO CCOc1ccnc(C[NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)c1 ZINC001172903026 1384874956 /nfs/dbraw/zinc/87/49/56/1384874956.db2.gz DDXFHTUEWIQCLW-INIZCTEOSA-N 1 0 341.411 3.426 20 5 EGBDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172908458 1384875387 /nfs/dbraw/zinc/87/53/87/1384875387.db2.gz MRKRZFMEZAWKFT-IKGGRYGDSA-N 1 0 346.427 3.164 20 5 EGBDRO COC(=O)[C@H]1CCCC[C@@H]1[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172905327 1384875404 /nfs/dbraw/zinc/87/54/04/1384875404.db2.gz IYTMYLGEZIGNNB-SZMVWBNQSA-N 1 0 346.427 3.164 20 5 EGBDRO C[C@@H]1CC[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC[C@@]1(C)O ZINC001172904929 1384875551 /nfs/dbraw/zinc/87/55/51/1384875551.db2.gz BIYJEZNJQOVNCJ-DKSSEZFCSA-N 1 0 332.444 3.325 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1CCN3CCCC[C@@H]3C1)CC2 ZINC001172911321 1384876031 /nfs/dbraw/zinc/87/60/31/1384876031.db2.gz SGGQQSBONOQAQZ-PKOBYXMFSA-N 1 0 329.444 3.012 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CCN3CCCC[C@H]3C1)CC2 ZINC001172911319 1384876183 /nfs/dbraw/zinc/87/61/83/1384876183.db2.gz SGGQQSBONOQAQZ-MJGOQNOKSA-N 1 0 329.444 3.012 20 5 EGBDRO COC(=O)[C@H]1CCC[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172911739 1384876397 /nfs/dbraw/zinc/87/63/97/1384876397.db2.gz FNXGTSRHZIIOCP-DOTOQJQBSA-N 1 0 346.427 3.117 20 5 EGBDRO COC(=O)CC[C@H]1CC[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172914799 1384877425 /nfs/dbraw/zinc/87/74/25/1384877425.db2.gz IYWQXPNLRKXGFI-WMLDXEAASA-N 1 0 346.427 3.117 20 5 EGBDRO CC(C)N(C)[C@@H]1CC[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172918376 1384878355 /nfs/dbraw/zinc/87/83/55/1384878355.db2.gz AWBIMKWQQDKRLI-PKOBYXMFSA-N 1 0 331.460 3.257 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]Cc2cccnc2C)c1F ZINC001173176544 1384931582 /nfs/dbraw/zinc/93/15/82/1384931582.db2.gz JZUMEMGIYXRDIL-LLVKDONJSA-N 1 0 333.363 3.167 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CCC[C@H](CF)C2)c1F ZINC001173190729 1384933074 /nfs/dbraw/zinc/93/30/74/1384933074.db2.gz WGYISDJIVAQKQN-NWDGAFQWSA-N 1 0 328.359 3.355 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+]2CC[C@@H](OC)C[C@@H]2C)c1F ZINC001173192873 1384934054 /nfs/dbraw/zinc/93/40/54/1384934054.db2.gz LGMMJOWKTGGKND-RWMBFGLXSA-N 1 0 340.395 3.173 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](CO)Cc1ccc(Cl)cc1 ZINC001173214685 1384937160 /nfs/dbraw/zinc/93/71/60/1384937160.db2.gz DTEYJOLGYYPZJA-DYVFJYSZSA-N 1 0 348.830 3.372 20 5 EGBDRO Cc1ccc(C2([NH2+][C@H](C)Cc3ccc([N+](=O)[O-])cc3)COC2)cc1 ZINC001173218915 1384937618 /nfs/dbraw/zinc/93/76/18/1384937618.db2.gz SZSYZIXALQGGCE-OAHLLOKOSA-N 1 0 326.396 3.350 20 5 EGBDRO COC(=O)C1CCC(C[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173215347 1384937792 /nfs/dbraw/zinc/93/77/92/1384937792.db2.gz VGFFONSDZUJOIL-IUDNXUCKSA-N 1 0 334.416 3.095 20 5 EGBDRO COc1cccc([C@@H](CCO)[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001173215728 1384937798 /nfs/dbraw/zinc/93/77/98/1384937798.db2.gz ZAQHSEZCDCSFHG-IFXJQAMLSA-N 1 0 344.411 3.248 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccn(CC(F)(F)F)n1 ZINC001173223245 1384938912 /nfs/dbraw/zinc/93/89/12/1384938912.db2.gz HIMRCRPRLLXKDB-NSHDSACASA-N 1 0 342.321 3.074 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001173222439 1384939046 /nfs/dbraw/zinc/93/90/46/1384939046.db2.gz RRGRCGCHSXPKOP-KRWDZBQOSA-N 1 0 339.439 3.344 20 5 EGBDRO COC(=O)CC1([NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC001173222749 1384939241 /nfs/dbraw/zinc/93/92/41/1384939241.db2.gz YYQHUVNSLYPNJZ-AWEZNQCLSA-N 1 0 334.416 3.381 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCCC[C@@H]1C[NH+]1CCCC1 ZINC001173224970 1384939314 /nfs/dbraw/zinc/93/93/14/1384939314.db2.gz ADQQERQNSIYQOH-VQIMIIECSA-N 1 0 331.460 3.476 20 5 EGBDRO COC(=O)CC[N@H+]([C@@H](C)Cc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC001173225017 1384939942 /nfs/dbraw/zinc/93/99/42/1384939942.db2.gz AUBSCLHFQXHNKQ-AWEZNQCLSA-N 1 0 334.416 3.334 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(Oc2cccnc2)CC1 ZINC001173227331 1384940222 /nfs/dbraw/zinc/94/02/22/1384940222.db2.gz PYELTPIFKOPNLN-HNNXBMFYSA-N 1 0 341.411 3.464 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCN(c2ccccn2)CC1 ZINC001173226190 1384940319 /nfs/dbraw/zinc/94/03/19/1384940319.db2.gz LFQQBFMOTATOLU-MRXNPFEDSA-N 1 0 340.427 3.133 20 5 EGBDRO COc1cccc(C2(C[NH2+][C@H](C)Cc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC001173230151 1384940525 /nfs/dbraw/zinc/94/05/25/1384940525.db2.gz RCQNPDLAFUYDIP-CQSZACIVSA-N 1 0 341.411 3.251 20 5 EGBDRO Cc1ccc(C(=O)NCCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC001175099116 1385194781 /nfs/dbraw/zinc/19/47/81/1385194781.db2.gz XYGDPSRQRZMEMH-UHFFFAOYSA-N 1 0 341.411 3.121 20 5 EGBDRO O=C(CC[N@@H+]1CC[C@@H]2CCCC[C@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC001319291278 1386046643 /nfs/dbraw/zinc/04/66/43/1386046643.db2.gz MLWIJDWHYIPYTM-GJZGRUSLSA-N 1 0 331.416 3.436 20 5 EGBDRO C/C=C(\C)C(=O)NCCCCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001178149208 1386142870 /nfs/dbraw/zinc/14/28/70/1386142870.db2.gz IGRQVBBBJOTCSA-CRKCGEKBSA-N 1 0 333.432 3.327 20 5 EGBDRO COc1ccccc1C1([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCC1 ZINC001319927530 1386396634 /nfs/dbraw/zinc/39/66/34/1386396634.db2.gz ZRWWQVLNXCOLKV-QGZVFWFLSA-N 1 0 342.395 3.306 20 5 EGBDRO C[C@@]1(O)CC[N@H+](Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC001320835751 1386732936 /nfs/dbraw/zinc/73/29/36/1386732936.db2.gz COGWRKPFENDFKK-MRXNPFEDSA-N 1 0 336.775 3.465 20 5 EGBDRO Cc1c[nH+]c2ccccc2c1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001322166344 1387083777 /nfs/dbraw/zinc/08/37/77/1387083777.db2.gz YMYRKKKCJWLQEV-UHFFFAOYSA-N 1 0 337.383 3.489 20 5 EGBDRO C[N@@H+]1CC[C@@]2(CCN(c3cc(C(F)(F)F)ccc3[N+](=O)[O-])C2)C1 ZINC001336691994 1389137278 /nfs/dbraw/zinc/13/72/78/1389137278.db2.gz IAYJAGPOUVMXHP-CQSZACIVSA-N 1 0 329.322 3.146 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1[C@H]2CCC[NH2+][C@H]2C1(C)C ZINC001337008082 1389234917 /nfs/dbraw/zinc/23/49/17/1389234917.db2.gz RWEIRKNUCKIZAV-IAOVAPTHSA-N 1 0 345.443 3.026 20 5 EGBDRO C[N@@H+]1CCC[C@H]2CN(c3ncc([N+](=O)[O-])c4ccccc43)CC[C@H]21 ZINC001331120370 1389632417 /nfs/dbraw/zinc/63/24/17/1389632417.db2.gz TUTWQIFGJYOGIF-XJKSGUPXSA-N 1 0 326.400 3.064 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1-c1noc(CC[C@@H]2CCC[NH2+]C2)n1 ZINC001331393661 1389731895 /nfs/dbraw/zinc/73/18/95/1389731895.db2.gz QLMXRIHWRJACNJ-ZDUSSCGKSA-N 1 0 330.388 3.194 20 5 EGBDRO CSC[C@@H](CCO)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC001332229966 1390058264 /nfs/dbraw/zinc/05/82/64/1390058264.db2.gz BIWCKKOOLXYKEH-WDEREUQCSA-N 1 0 330.475 3.081 20 5 EGBDRO C[C@@H](NC(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC001342593153 1390630255 /nfs/dbraw/zinc/63/02/55/1390630255.db2.gz VFFVNXSADQBSTD-AHIWAGSCSA-N 1 0 327.384 3.108 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H]2C[C@H]2c2nc([C@H]3C[NH+]4CCC3CC4)no2)c1 ZINC001345148145 1390841637 /nfs/dbraw/zinc/84/16/37/1390841637.db2.gz GLWWQXCETLIIRT-XHSDSOJGSA-N 1 0 340.383 3.058 20 5 EGBDRO CC(C)n1cc2c(n1)[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CCC2 ZINC001345636738 1390870880 /nfs/dbraw/zinc/87/08/80/1390870880.db2.gz PEBVESJNTWQXBD-IAGOWNOFSA-N 1 0 344.415 3.073 20 5 EGBDRO CC(C)[C@@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)Nc1ccccc1 ZINC001346181872 1390913457 /nfs/dbraw/zinc/91/34/57/1390913457.db2.gz SNVVCKYQRLVJQJ-MOPGFXCFSA-N 1 0 343.427 3.355 20 5 EGBDRO CN(CC(C)(C)C[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)C1(C)CCC1 ZINC001755283646 1440801216 /nfs/dbraw/zinc/80/12/16/1440801216.db2.gz YFZNQURVRCOXEE-UHFFFAOYSA-N 1 0 347.459 3.359 20 5 EGBDRO CCC(CC)C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001755466001 1440858257 /nfs/dbraw/zinc/85/82/57/1440858257.db2.gz DICXQUYWENFJJF-KOMQPUFPSA-N 1 0 333.432 3.015 20 5 EGBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000351508908 719252922 /nfs/dbraw/zinc/25/29/22/719252922.db2.gz JIZDXYCYPBDLOS-KBPBESRZSA-N 1 0 326.400 3.186 20 5 EGBDRO C[NH+](C)[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)C1 ZINC000485404537 721898952 /nfs/dbraw/zinc/89/89/52/721898952.db2.gz ADIVLKCYWNRZDV-OAHLLOKOSA-N 1 0 344.390 3.326 20 5 EGBDRO CC[NH+](CC)C1CCN(c2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC001165053130 722004223 /nfs/dbraw/zinc/00/42/23/722004223.db2.gz KDASBEGGIIQZGS-UHFFFAOYSA-N 1 0 328.416 3.454 20 5 EGBDRO Cc1c(NC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)cccc1[N+](=O)[O-] ZINC000174473798 231217322 /nfs/dbraw/zinc/21/73/22/231217322.db2.gz DWCDBLAFHAOALQ-AWEZNQCLSA-N 1 0 334.420 3.241 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1OC(F)F ZINC000369671973 168463830 /nfs/dbraw/zinc/46/38/30/168463830.db2.gz KVLHWZDOYYJKNF-NEPJUHHUSA-N 1 0 327.331 3.235 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)NCc2cccs2)cc1[N+](=O)[O-] ZINC000178687715 232378856 /nfs/dbraw/zinc/37/88/56/232378856.db2.gz KZIVUIGVAUBRNO-CHWSQXEVSA-N 1 0 347.440 3.320 20 5 EGBDRO Cc1cc(C(=O)Nc2ccc(CC[NH+](C)C)cc2)cc([N+](=O)[O-])c1 ZINC000102731454 219226376 /nfs/dbraw/zinc/22/63/76/219226376.db2.gz IKMIFTBEVRKTKU-UHFFFAOYSA-N 1 0 327.384 3.260 20 5 EGBDRO C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181655434 234270011 /nfs/dbraw/zinc/27/00/11/234270011.db2.gz NPTSKMJREPHZOJ-QWHCGFSZSA-N 1 0 349.406 3.117 20 5 EGBDRO Cc1csc([C@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C2CC2)n1 ZINC000183565278 235143801 /nfs/dbraw/zinc/14/38/01/235143801.db2.gz HAZKULWCMVGJBT-LSDHHAIUSA-N 1 0 333.413 3.134 20 5 EGBDRO CCCN(CCC[NH+](C)C)C(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000347910048 283222798 /nfs/dbraw/zinc/22/27/98/283222798.db2.gz RSDXWGCCZBCISB-CYBMUJFWSA-N 1 0 339.411 3.028 20 5 EGBDRO C[C@H]([NH2+]CC1(N2CCCCC2)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000173407667 299283083 /nfs/dbraw/zinc/28/30/83/299283083.db2.gz XASXTEFEZVBOEM-INIZCTEOSA-N 1 0 347.459 3.281 20 5 EGBDRO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000072663407 216289820 /nfs/dbraw/zinc/28/98/20/216289820.db2.gz JAXOQFKOJDUQFC-KEYYUXOJSA-N 1 0 331.416 3.211 20 5 EGBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)CCc1cccs1 ZINC000072800583 216308022 /nfs/dbraw/zinc/30/80/22/216308022.db2.gz KADIPHLBKXNZHJ-GFCCVEGCSA-N 1 0 333.413 3.158 20 5 EGBDRO CC[N@H+](C)C[C@@H]1CCN(Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000072860622 216320438 /nfs/dbraw/zinc/32/04/38/216320438.db2.gz HNMNPVIGIOJUHP-HNNXBMFYSA-N 1 0 335.448 3.156 20 5 EGBDRO Cc1c(NC(=O)CC[NH2+][C@@H]2CC(C)(C)OC2(C)C)cccc1[N+](=O)[O-] ZINC000132492606 223336821 /nfs/dbraw/zinc/33/68/21/223336821.db2.gz VQLGQWXVMXFSJG-OAHLLOKOSA-N 1 0 349.431 3.168 20 5 EGBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000080163695 217285415 /nfs/dbraw/zinc/28/54/15/217285415.db2.gz GIRYAEWEPRKJJU-NSHDSACASA-N 1 0 340.811 3.054 20 5 EGBDRO C[NH+](C)C1(CNc2ccc([N+](=O)[O-])cc2C(F)(F)F)CCOCC1 ZINC000265031026 247147078 /nfs/dbraw/zinc/14/70/78/247147078.db2.gz ILIACOFLWULNCC-UHFFFAOYSA-N 1 0 347.337 3.136 20 5 EGBDRO Cc1cc([C@@](C)(O)C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])c(C)o1 ZINC000266185924 248157116 /nfs/dbraw/zinc/15/71/16/248157116.db2.gz WXIXQZWYRQXYAZ-IWHGQQBYSA-N 1 0 330.384 3.315 20 5 EGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)C[C@H](O)COCc1ccccc1 ZINC000266513230 248339672 /nfs/dbraw/zinc/33/96/72/248339672.db2.gz FNIOJOQYUJESCS-RDJZCZTQSA-N 1 0 344.411 3.165 20 5 EGBDRO CCn1cnnc1[C@@H]1CCC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000266549365 248355460 /nfs/dbraw/zinc/35/54/60/248355460.db2.gz SZVFQDZAALLISI-ZIAGYGMSSA-N 1 0 329.404 3.147 20 5 EGBDRO COc1ccc(C[N@@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000378401832 169114945 /nfs/dbraw/zinc/11/49/45/169114945.db2.gz LDZNQGBJBHABIU-GOEBONIOSA-N 1 0 334.416 3.242 20 5 EGBDRO C[C@@H](O)C[C@@H]1CCC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000153222029 224075876 /nfs/dbraw/zinc/07/58/76/224075876.db2.gz MWECNIAAPQCFFG-HIFRSBDPSA-N 1 0 345.399 3.028 20 5 EGBDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000268791983 252243646 /nfs/dbraw/zinc/24/36/46/252243646.db2.gz XFFAZGBEUNSFFI-CQSZACIVSA-N 1 0 349.431 3.305 20 5 EGBDRO C[C@@H](NC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000174105604 533104985 /nfs/dbraw/zinc/10/49/85/533104985.db2.gz QNFORJKKXXTWEC-ZBFHGGJFSA-N 1 0 348.447 3.172 20 5 EGBDRO O=C(c1cccc([N+](=O)[O-])c1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000154031580 224192667 /nfs/dbraw/zinc/19/26/67/224192667.db2.gz DCTFAHNNVIVBAA-UHFFFAOYSA-N 1 0 345.443 3.323 20 5 EGBDRO CC(C)n1cnnc1[C@@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000118860854 221199575 /nfs/dbraw/zinc/19/95/75/221199575.db2.gz KIYKCCKIRDKIAH-MRXNPFEDSA-N 1 0 343.431 3.189 20 5 EGBDRO C[C@@H]([NH2+]CCCNC(=O)c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000178654780 533382602 /nfs/dbraw/zinc/38/26/02/533382602.db2.gz HDTSOMZZGAODLV-CYBMUJFWSA-N 1 0 345.374 3.205 20 5 EGBDRO O=[N+]([O-])c1cccc(C[NH2+]CCc2nc(-c3ccncc3)cs2)c1 ZINC000344554621 141172646 /nfs/dbraw/zinc/17/26/46/141172646.db2.gz QLKMPRBBBJQMHK-UHFFFAOYSA-N 1 0 340.408 3.446 20 5 EGBDRO C[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)[C@H](c1ccccc1)[NH+](C)C ZINC000356235368 141325199 /nfs/dbraw/zinc/32/51/99/141325199.db2.gz SKVFJGDVVRZUKR-YVEFUNNKSA-N 1 0 345.374 3.155 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1[C@H](C)C[C@H]2CCCC[C@@H]21 ZINC000173435989 144041637 /nfs/dbraw/zinc/04/16/37/144041637.db2.gz IUBHXQGBCHRQGO-CPUCHLNUSA-N 1 0 331.416 3.495 20 5 EGBDRO Cc1cc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(C)s1 ZINC000173474500 144042743 /nfs/dbraw/zinc/04/27/43/144042743.db2.gz LAQBRNXKVPKAFQ-AWEZNQCLSA-N 1 0 332.429 3.355 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CC=C(c3ccc(O)cc3)CC2)c1 ZINC000178568659 144072610 /nfs/dbraw/zinc/07/26/10/144072610.db2.gz SSIDAMQLSCFCLC-LJQANCHMSA-N 1 0 340.379 3.123 20 5 EGBDRO C[C@H]([NH2+][C@H]1CCCN(c2ccccc2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000178656445 144074418 /nfs/dbraw/zinc/07/44/18/144074418.db2.gz PPFXARYTNVKMTL-KSSFIOAISA-N 1 0 339.395 3.441 20 5 EGBDRO C[C@H](NC(=O)NCC1(C[NH+](C)C)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000185514411 144113804 /nfs/dbraw/zinc/11/38/04/144113804.db2.gz AULJTNGYVVKJPU-AWEZNQCLSA-N 1 0 348.447 3.077 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)[C@@H]1COc2ccccc21 ZINC000185555727 144114251 /nfs/dbraw/zinc/11/42/51/144114251.db2.gz LXVSVOGZEPJDFX-WBMJQRKESA-N 1 0 328.368 3.258 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[NH+]1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000186587696 144138288 /nfs/dbraw/zinc/13/82/88/144138288.db2.gz PBZDPJMAPJSJCY-UHFFFAOYSA-N 1 0 344.386 3.304 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CCSc3ccccc3)C2)nc1 ZINC000118866088 152158548 /nfs/dbraw/zinc/15/85/48/152158548.db2.gz QQCJZKBWASLQLR-CQSZACIVSA-N 1 0 344.440 3.268 20 5 EGBDRO CC[C@@H]([NH2+]CCNC(=O)c1ccc(C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000193911331 153313738 /nfs/dbraw/zinc/31/37/38/153313738.db2.gz USCOMIOTUQHDGE-GOSISDBHSA-N 1 0 341.411 3.374 20 5 EGBDRO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc2c(c1)CCC(=O)N2 ZINC000195235715 153388083 /nfs/dbraw/zinc/38/80/83/153388083.db2.gz KKAUIFBBVKVHCI-GFCCVEGCSA-N 1 0 325.368 3.330 20 5 EGBDRO C[C@H]1CN(Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C[C@H]1[NH3+] ZINC000262079591 153777016 /nfs/dbraw/zinc/77/70/16/153777016.db2.gz SXHFXZBTRAAFHQ-BLLLJJGKSA-N 1 0 345.374 3.305 20 5 EGBDRO COc1ccc(C[NH2+][C@@H](C)CN(C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000311011059 154145356 /nfs/dbraw/zinc/14/53/56/154145356.db2.gz LUNLYLZHFFQGIW-HNNXBMFYSA-N 1 0 343.427 3.214 20 5 EGBDRO C[C@@H]1[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000336718282 154212264 /nfs/dbraw/zinc/21/22/64/154212264.db2.gz RKUQHGKJGJGGTA-CJNGLKHVSA-N 1 0 331.441 3.409 20 5 EGBDRO CCn1nc(C)c([N+](=O)[O-])c1N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000336787068 154212289 /nfs/dbraw/zinc/21/22/89/154212289.db2.gz DGIAGLZRZAQSAD-ZBFHGGJFSA-N 1 0 343.431 3.195 20 5 EGBDRO [NH3+]CCN(Cc1cc2cc(F)ccc2o1)c1ccccc1[N+](=O)[O-] ZINC000348905039 156283015 /nfs/dbraw/zinc/28/30/15/156283015.db2.gz PPMUSJODGUXQEA-UHFFFAOYSA-N 1 0 329.331 3.445 20 5 EGBDRO C[NH+](C)CCN(Cc1ccc([N+](=O)[O-])cc1)Cc1cccc(F)c1 ZINC000349070288 156342826 /nfs/dbraw/zinc/34/28/26/156342826.db2.gz BGJSMRYFORTNKB-UHFFFAOYSA-N 1 0 331.391 3.298 20 5 EGBDRO CC[NH+](CC)CCN(Cc1ccccc1)c1ncc([N+](=O)[O-])s1 ZINC000337021870 163107752 /nfs/dbraw/zinc/10/77/52/163107752.db2.gz SDVUINRVDHLHNO-UHFFFAOYSA-N 1 0 334.445 3.400 20 5 EGBDRO C[C@H]1Cc2ccccc2C[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337210734 163163999 /nfs/dbraw/zinc/16/39/99/163163999.db2.gz CVKZDRLGNORMCY-AWEZNQCLSA-N 1 0 339.395 3.370 20 5 EGBDRO CO[C@]1(C)C[C@@H]([N@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])C1(C)C ZINC000337258168 163183091 /nfs/dbraw/zinc/18/30/91/163183091.db2.gz UUQNSHVMGDFQGM-CRAIPNDOSA-N 1 0 349.431 3.059 20 5 EGBDRO CC(C)[C@@H](C(=O)N(C)CCc1cccc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000338330555 163212673 /nfs/dbraw/zinc/21/26/73/163212673.db2.gz KIWGOGKFURUWQU-SFHVURJKSA-N 1 0 347.459 3.106 20 5 EGBDRO CC[N@@H+]1CC[C@@H](N(C)c2ccc([N+](=O)[O-])c3cnccc32)C[C@@H]1C ZINC000354354870 166008506 /nfs/dbraw/zinc/00/85/06/166008506.db2.gz RPLGRVQEODOWLM-UONOGXRCSA-N 1 0 328.416 3.452 20 5 EGBDRO C[C@@H]1CCC[C@](CNC(=O)Nc2cccc([N+](=O)[O-])c2)([NH+](C)C)C1 ZINC000339102816 163468166 /nfs/dbraw/zinc/46/81/66/163468166.db2.gz UYTYEUKSAHPBCC-DYVFJYSZSA-N 1 0 334.420 3.227 20 5 EGBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000343954214 164072347 /nfs/dbraw/zinc/07/23/47/164072347.db2.gz MMHVWNTZSAYNPU-BXUZGUMPSA-N 1 0 328.372 3.438 20 5 EGBDRO CN(C)c1ccccc1C[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000344142776 164113260 /nfs/dbraw/zinc/11/32/60/164113260.db2.gz MKJMYZUCDRAVTB-UHFFFAOYSA-N 1 0 329.400 3.172 20 5 EGBDRO COc1cc(C[NH2+]C[C@H](SC)C(C)(C)C)c([N+](=O)[O-])cc1O ZINC000344353146 164162711 /nfs/dbraw/zinc/16/27/11/164162711.db2.gz JJVDJOAEIBFTQS-AWEZNQCLSA-N 1 0 328.434 3.176 20 5 EGBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000344593604 164195308 /nfs/dbraw/zinc/19/53/08/164195308.db2.gz MADAZZHABURXMH-SOLBZPMBSA-N 1 0 347.459 3.311 20 5 EGBDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000346125310 164343296 /nfs/dbraw/zinc/34/32/96/164343296.db2.gz YNDCSMQNGQMNKR-GFCCVEGCSA-N 1 0 339.823 3.243 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000352802141 165505020 /nfs/dbraw/zinc/50/50/20/165505020.db2.gz LQOQDLNWOXJGFS-CRAIPNDOSA-N 1 0 347.459 3.441 20 5 EGBDRO CCc1ccc(C(=O)NCC2(C[NH+](C)C)CCCC2)cc1[N+](=O)[O-] ZINC000352820865 165513155 /nfs/dbraw/zinc/51/31/55/165513155.db2.gz DJEDYKCSHVLGOE-UHFFFAOYSA-N 1 0 333.432 3.009 20 5 EGBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@]2(CO)Cc2ccccc2)cc1 ZINC000355356578 166173060 /nfs/dbraw/zinc/17/30/60/166173060.db2.gz RJURKKALMZEQFK-IBGZPJMESA-N 1 0 326.396 3.164 20 5 EGBDRO CCC(C)(C)[NH2+][C@H](C)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000355657247 166275332 /nfs/dbraw/zinc/27/53/32/166275332.db2.gz WAFHRGCODMLFHK-CQSZACIVSA-N 1 0 335.448 3.499 20 5 EGBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H]1OC ZINC000355747173 166295263 /nfs/dbraw/zinc/29/52/63/166295263.db2.gz IARVXZGMSVBRES-NXHRZFHOSA-N 1 0 346.383 3.137 20 5 EGBDRO C[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)C(C)(C)C[NH+](C)C ZINC000359283999 167114615 /nfs/dbraw/zinc/11/46/15/167114615.db2.gz KOVMJAMUYYAGNK-NSHDSACASA-N 1 0 333.388 3.047 20 5 EGBDRO CC[C@H]([NH2+]Cc1cccc(-n2cncn2)c1)c1cccc([N+](=O)[O-])c1 ZINC000366218726 168095774 /nfs/dbraw/zinc/09/57/74/168095774.db2.gz MJXHSTWUMLNSMP-SFHVURJKSA-N 1 0 337.383 3.416 20 5 EGBDRO Cc1cc(C(=O)Nc2ccc(OCC[NH+](C)C)cc2)cc([N+](=O)[O-])c1 ZINC000122084007 222011810 /nfs/dbraw/zinc/01/18/10/222011810.db2.gz WNBYBFNDTJWHML-UHFFFAOYSA-N 1 0 343.383 3.096 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000151528127 264778368 /nfs/dbraw/zinc/77/83/68/264778368.db2.gz PPXUQTFNXIVERL-UHFFFAOYSA-N 1 0 346.431 3.385 20 5 EGBDRO CC[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176220525 265162533 /nfs/dbraw/zinc/16/25/33/265162533.db2.gz VWXKGRONBFZRFI-SJORKVTESA-N 1 0 328.416 3.450 20 5 EGBDRO CCOc1ccc(NC(=O)C[N@H+](C)[C@@H](C)C2(C)CC2)c([N+](=O)[O-])c1 ZINC000177232869 265241947 /nfs/dbraw/zinc/24/19/47/265241947.db2.gz FYOBQTQPZKJBEI-LBPRGKRZSA-N 1 0 335.404 3.052 20 5 EGBDRO C[C@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C1CCOCC1 ZINC000179845634 265389393 /nfs/dbraw/zinc/38/93/93/265389393.db2.gz QPGQGRKWWNHJJO-ZDUSSCGKSA-N 1 0 345.399 3.197 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H]1CCCC1(C)C ZINC000191867111 265937445 /nfs/dbraw/zinc/93/74/45/265937445.db2.gz LEMWGKRKPZONOP-HNNXBMFYSA-N 1 0 335.404 3.100 20 5 EGBDRO C[C@H]1CCC[N@H+](CCCCNC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000193762823 266060467 /nfs/dbraw/zinc/06/04/67/266060467.db2.gz VLGSRCAWHVPLRK-AWEZNQCLSA-N 1 0 334.420 3.228 20 5 EGBDRO Cc1ccc([C@H](C)NC(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])cc1[N+](=O)[O-] ZINC000237445088 266234514 /nfs/dbraw/zinc/23/45/14/266234514.db2.gz PPPKMPPSWOQWMS-IMJJTQAJSA-N 1 0 333.432 3.378 20 5 EGBDRO CCOc1ccc([C@H](C)[NH2+]Cc2cccc(CO)c2)cc1[N+](=O)[O-] ZINC000271203264 266621235 /nfs/dbraw/zinc/62/12/35/266621235.db2.gz ZPCTUYPKMLCRGZ-ZDUSSCGKSA-N 1 0 330.384 3.337 20 5 EGBDRO CCOc1cccc(N2CC[C@@H](C3CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000273845862 267123694 /nfs/dbraw/zinc/12/36/94/267123694.db2.gz IUUMXRDYMDJJLT-OAHLLOKOSA-N 1 0 333.432 3.162 20 5 EGBDRO Cc1nccn1CCC[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000274362494 267224432 /nfs/dbraw/zinc/22/44/32/267224432.db2.gz NVGSZGFTPFRRKH-FUHWJXTLSA-N 1 0 342.443 3.491 20 5 EGBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000278461737 268018466 /nfs/dbraw/zinc/01/84/66/268018466.db2.gz SSBVDDJREVQFAO-NSHDSACASA-N 1 0 344.337 3.073 20 5 EGBDRO COc1ccncc1C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000340402412 274165329 /nfs/dbraw/zinc/16/53/29/274165329.db2.gz FSDLVVFEIVUEAF-WMLDXEAASA-N 1 0 341.411 3.499 20 5 EGBDRO C[C@@H]1CC[C@H]([NH2+][C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)[C@@H](C)C1 ZINC000360328944 274318574 /nfs/dbraw/zinc/31/85/74/274318574.db2.gz IKTULMRUYOFXBN-OQUILHJVSA-N 1 0 331.416 3.114 20 5 EGBDRO CNC(=O)c1ccc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000025188379 275122500 /nfs/dbraw/zinc/12/25/00/275122500.db2.gz XUACEKQRSWWHSJ-UHFFFAOYSA-N 1 0 339.395 3.119 20 5 EGBDRO COC[C@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CCCO1 ZINC000278614577 275259226 /nfs/dbraw/zinc/25/92/26/275259226.db2.gz JCPPNIWOURYYSS-FUHWJXTLSA-N 1 0 346.383 3.138 20 5 EGBDRO Cc1c(NC(=O)CC[N@H+]2CCSCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000279217346 275313503 /nfs/dbraw/zinc/31/35/03/275313503.db2.gz HQAKIBFPAYNCSJ-GFCCVEGCSA-N 1 0 337.445 3.059 20 5 EGBDRO Cc1ccc(C[NH2+]Cc2ccc(NC(=O)N(C)C)cc2)cc1[N+](=O)[O-] ZINC000279892563 275371682 /nfs/dbraw/zinc/37/16/82/275371682.db2.gz OWCZQANURKGPBM-UHFFFAOYSA-N 1 0 342.399 3.287 20 5 EGBDRO CCC[C@H]([NH2+]C[C@@H]1CCCN(C(C)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000281192678 275528992 /nfs/dbraw/zinc/52/89/92/275528992.db2.gz RJFQTYQMEGEWGW-YJBOKZPZSA-N 1 0 333.432 3.284 20 5 EGBDRO C[C@H]([NH2+][C@H]1CCC[C@@H]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000283419910 275721216 /nfs/dbraw/zinc/72/12/16/275721216.db2.gz GOYAGDUESTUKIX-KWBADKCTSA-N 1 0 325.796 3.353 20 5 EGBDRO C[C@@H]1COCC[C@H]1C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000285462384 275878410 /nfs/dbraw/zinc/87/84/10/275878410.db2.gz JWSRNYANPNBRIJ-OCCSQVGLSA-N 1 0 347.440 3.481 20 5 EGBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCC(=O)N[C@H]2C(C)(C)C)cccc1[N+](=O)[O-] ZINC000285738181 275907185 /nfs/dbraw/zinc/90/71/85/275907185.db2.gz REWGBXTWYSCDIF-DXCKQFNASA-N 1 0 333.432 3.247 20 5 EGBDRO CC(=O)c1cc(N(C)CCC[N@H+](C)Cc2ccco2)ccc1[N+](=O)[O-] ZINC000286684327 276032470 /nfs/dbraw/zinc/03/24/70/276032470.db2.gz YPFHPZNKNLVGOI-UHFFFAOYSA-N 1 0 345.399 3.349 20 5 EGBDRO CC[NH2+]CC1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000261663586 276264512 /nfs/dbraw/zinc/26/45/12/276264512.db2.gz GKOPTMYYMNMPSA-UHFFFAOYSA-N 1 0 331.338 3.440 20 5 EGBDRO COC[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])[C@H]1CCCO1 ZINC000289442098 276339570 /nfs/dbraw/zinc/33/95/70/276339570.db2.gz TYGIGPPHXKVPAP-QWHCGFSZSA-N 1 0 349.214 3.185 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@](CO)(C(C)C)C1 ZINC000339706271 276376969 /nfs/dbraw/zinc/37/69/69/276376969.db2.gz MREXKIGZYZIRES-SFHVURJKSA-N 1 0 336.432 3.224 20 5 EGBDRO O=[N+]([O-])c1ccc2oc(CN3CC[C@H](n4cc(Cl)cn4)C3)nc2c1 ZINC000289709813 276381503 /nfs/dbraw/zinc/38/15/03/276381503.db2.gz CHIYDEMTRPOMOZ-LBPRGKRZSA-N 1 0 347.762 3.033 20 5 EGBDRO O=C(CC[NH+](C1CCC1)C1CCC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000292495805 276808945 /nfs/dbraw/zinc/80/89/45/276808945.db2.gz UDRLNPHTHYNXNX-UHFFFAOYSA-N 1 0 335.379 3.470 20 5 EGBDRO C[C@@H]1CC[C@@H](C[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000353591202 278582306 /nfs/dbraw/zinc/58/23/06/278582306.db2.gz WWKDWGFBSLYNGA-CKEIUWERSA-N 1 0 328.416 3.444 20 5 EGBDRO CC[C@H]([NH2+][C@@H]1CCC[C@H]2CN(C(C)=O)C[C@@H]21)c1cccc([N+](=O)[O-])c1 ZINC000343989904 288069033 /nfs/dbraw/zinc/06/90/33/288069033.db2.gz PQBKMHVVXOLXGN-DSLXNQLJSA-N 1 0 345.443 3.283 20 5 EGBDRO C[C@H](CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000136689421 279344602 /nfs/dbraw/zinc/34/46/02/279344602.db2.gz XJXOVVFKUZIRSS-GFCCVEGCSA-N 1 0 339.823 3.098 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000362404049 281257001 /nfs/dbraw/zinc/25/70/01/281257001.db2.gz RRJMREUQZOLSDM-UHFFFAOYSA-N 1 0 345.443 3.240 20 5 EGBDRO C[NH+]1CCC2(CCCN(c3nc4ccccc4cc3[N+](=O)[O-])C2)CC1 ZINC000369866307 289901803 /nfs/dbraw/zinc/90/18/03/289901803.db2.gz YYFYCKMVCPNZSV-UHFFFAOYSA-N 1 0 340.427 3.455 20 5 EGBDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000059982287 307350687 /nfs/dbraw/zinc/35/06/87/307350687.db2.gz WCPFSBUSTKQUSO-OKILXGFUSA-N 1 0 333.432 3.081 20 5 EGBDRO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000064995702 307357787 /nfs/dbraw/zinc/35/77/87/307357787.db2.gz SJQSBJDJKMRTTN-NVXWUHKLSA-N 1 0 347.459 3.154 20 5 EGBDRO COc1cc(OC)cc(OCC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000090453151 307459203 /nfs/dbraw/zinc/45/92/03/307459203.db2.gz BPDYMEYTGXYTAV-CYBMUJFWSA-N 1 0 346.383 3.342 20 5 EGBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H](c2ccc(F)cc2)C2CCCC2)c1 ZINC000091399920 307463140 /nfs/dbraw/zinc/46/31/40/307463140.db2.gz YTOCQLNQQIFMFU-KRWDZBQOSA-N 1 0 332.379 3.452 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000131698124 307647848 /nfs/dbraw/zinc/64/78/48/307647848.db2.gz PCQQSIZVHLNAMW-CYBMUJFWSA-N 1 0 336.436 3.309 20 5 EGBDRO CCCN(CC[NH+](CC)CC)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000132478524 307658529 /nfs/dbraw/zinc/65/85/29/307658529.db2.gz GJGBQYNANSOFIM-UHFFFAOYSA-N 1 0 336.436 3.489 20 5 EGBDRO Cc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)nc1C ZINC000414161582 309064202 /nfs/dbraw/zinc/06/42/02/309064202.db2.gz FRWAANCTQDLPCF-CVEARBPZSA-N 1 0 329.404 3.077 20 5 EGBDRO CCOc1ncccc1C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000151176840 307729331 /nfs/dbraw/zinc/72/93/31/307729331.db2.gz UFLHKKZEGMVPFE-QGZVFWFLSA-N 1 0 341.411 3.499 20 5 EGBDRO COc1cccc(COCC[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000152080673 307745467 /nfs/dbraw/zinc/74/54/67/307745467.db2.gz VCZOAROZGQGXLU-CQSZACIVSA-N 1 0 330.384 3.471 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCN(C)CC(F)(F)F ZINC000156383362 307832052 /nfs/dbraw/zinc/83/20/52/307832052.db2.gz SVDMQWXMNVJKLH-LBPRGKRZSA-N 1 0 333.354 3.438 20 5 EGBDRO COCC1CCC([NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000414319122 309072595 /nfs/dbraw/zinc/07/25/95/309072595.db2.gz YOWCOAFRIPORAW-WLYUNCDWSA-N 1 0 349.431 3.107 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@H](O)C1CCCCC1)C1CC1 ZINC000163081562 307919515 /nfs/dbraw/zinc/91/95/15/307919515.db2.gz BDYHMUASBUPNEO-MJGOQNOKSA-N 1 0 332.444 3.447 20 5 EGBDRO C[C@@H]([NH2+][C@@H](C)C(=O)N1[C@H](C)CCC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000249744112 308027852 /nfs/dbraw/zinc/02/78/52/308027852.db2.gz BGGYMYARPIVMIL-BARDWOONSA-N 1 0 333.432 3.423 20 5 EGBDRO CC(C)CN(C(=O)/C=C\c1ccc([N+](=O)[O-])cc1)C1CC[NH+](C)CC1 ZINC000255864103 308060736 /nfs/dbraw/zinc/06/07/36/308060736.db2.gz XNCLATRGOIKFFJ-TWGQIWQCSA-N 1 0 345.443 3.187 20 5 EGBDRO C[C@@H]([NH2+]C[C@@H](c1ccco1)N1CCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293720395 308155812 /nfs/dbraw/zinc/15/58/12/308155812.db2.gz MLVFFGJRSXYHKZ-DYVFJYSZSA-N 1 0 344.415 3.258 20 5 EGBDRO C[C@@H]([NH2+]C[C@H](c1ccsc1)N(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293829023 308165811 /nfs/dbraw/zinc/16/58/11/308165811.db2.gz SHYYQYIPIVNFHW-BDJLRTHQSA-N 1 0 334.445 3.192 20 5 EGBDRO CC(C)c1ccc(C[NH2+]CCC(C)(C)S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000414517029 309085890 /nfs/dbraw/zinc/08/58/90/309085890.db2.gz PZZUZRMRMJDSRL-UHFFFAOYSA-N 1 0 342.461 3.021 20 5 EGBDRO CC(C)(O)C[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C1CC1 ZINC000294363040 308214330 /nfs/dbraw/zinc/21/43/30/308214330.db2.gz ASWNBSGTPNHGAD-UHFFFAOYSA-N 1 0 332.322 3.349 20 5 EGBDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)CCC(C)(C)[N+](=O)[O-])c1ccccc1 ZINC000294721938 308249854 /nfs/dbraw/zinc/24/98/54/308249854.db2.gz WQQVISZXFJHENS-CQSZACIVSA-N 1 0 335.448 3.068 20 5 EGBDRO Cc1cc(Cl)c(C(=O)NCC[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000294908314 308270559 /nfs/dbraw/zinc/27/05/59/308270559.db2.gz SCPSTAZZEHZSDX-UHFFFAOYSA-N 1 0 339.823 3.018 20 5 EGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](C)CCCO ZINC000296656072 308452453 /nfs/dbraw/zinc/45/24/53/308452453.db2.gz ZISCVRVHSGLWBP-KGLIPLIRSA-N 1 0 326.462 3.464 20 5 EGBDRO CCc1nc(NC(=O)C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)sc1C ZINC000296821725 308470867 /nfs/dbraw/zinc/47/08/67/308470867.db2.gz VTMVBSPCVPFJMP-JTQLQIEISA-N 1 0 348.428 3.211 20 5 EGBDRO [NH3+]C[C@@H](NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)C1CC1 ZINC000414813522 309103245 /nfs/dbraw/zinc/10/32/45/309103245.db2.gz YLAUAEJYVMNVDU-MRXNPFEDSA-N 1 0 345.374 3.353 20 5 EGBDRO COc1cc(CNc2ccc([C@H](C)[NH3+])cc2)c([N+](=O)[O-])cc1OC ZINC000414814827 309103287 /nfs/dbraw/zinc/10/32/87/309103287.db2.gz SKVHIUBMQMFEIU-NSHDSACASA-N 1 0 331.372 3.244 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCC[C@@H]([NH+]3CCCC3)C2)c2ncccc12 ZINC000301278738 308694707 /nfs/dbraw/zinc/69/47/07/308694707.db2.gz SQYPHTIWKUDUDR-CQSZACIVSA-N 1 0 326.400 3.208 20 5 EGBDRO C[NH+](C)[C@H]1CCC[C@@H](Nc2c(Br)cncc2[N+](=O)[O-])C1 ZINC000301907107 308721005 /nfs/dbraw/zinc/72/10/05/308721005.db2.gz ZPCKGPNIVQEGLL-ZJUUUORDSA-N 1 0 343.225 3.037 20 5 EGBDRO Cc1cc(N2CC[C@@H]3OCCC[C@H]3C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302065989 308727881 /nfs/dbraw/zinc/72/78/81/308727881.db2.gz FCJBNAGZZKSXMP-UGSOOPFHSA-N 1 0 327.384 3.457 20 5 EGBDRO Cc1c(NC(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000331419293 308806402 /nfs/dbraw/zinc/80/64/02/308806402.db2.gz QDECWVYBXLARAU-YOEHRIQHSA-N 1 0 346.431 3.289 20 5 EGBDRO C[C@H]1CC(C)(C)C[C@@](CO)([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000332235627 308831330 /nfs/dbraw/zinc/83/13/30/308831330.db2.gz PXTMFFBJSSMGIA-SGTLLEGYSA-N 1 0 346.431 3.138 20 5 EGBDRO O=[N+]([O-])c1cnc(NC2CC[NH+](C3CC3)CC2)c(C(F)(F)F)c1 ZINC000413040984 309013058 /nfs/dbraw/zinc/01/30/58/309013058.db2.gz KGOPKUQWIDDXBL-UHFFFAOYSA-N 1 0 330.310 3.047 20 5 EGBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1c1ncc([N+](=O)[O-])cc1F ZINC000413154278 309018586 /nfs/dbraw/zinc/01/85/86/309018586.db2.gz NHAOHVKHDMQFQN-CQSZACIVSA-N 1 0 344.390 3.230 20 5 EGBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(c2nccc3ccc([N+](=O)[O-])cc32)C[C@@H](C)C1 ZINC000413303616 309025911 /nfs/dbraw/zinc/02/59/11/309025911.db2.gz OEXPDRTVBGZEQY-DEYYWGMASA-N 1 0 340.427 3.310 20 5 EGBDRO COc1ccc(-c2ccc(CN[C@H]3CC[NH2+][C@H](C)C3)o2)c([N+](=O)[O-])c1 ZINC000414954680 309111274 /nfs/dbraw/zinc/11/12/74/309111274.db2.gz SWIUDUYNEBKMNT-OLZOCXBDSA-N 1 0 345.399 3.094 20 5 EGBDRO C[C@H]1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@H]1C[NH3+] ZINC000415128456 309122465 /nfs/dbraw/zinc/12/24/65/309122465.db2.gz NYJWRSWRLIKHQU-GXTWGEPZSA-N 1 0 346.456 3.135 20 5 EGBDRO C[NH2+]CCC1CCN(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000415300371 309130476 /nfs/dbraw/zinc/13/04/76/309130476.db2.gz ROWGEIFTNXPPKT-UHFFFAOYSA-N 1 0 334.420 3.065 20 5 EGBDRO CN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C(C)(C)C[NH+]1CCCC1 ZINC000416112384 309159091 /nfs/dbraw/zinc/15/90/91/309159091.db2.gz WUDGCVFOZRGIFY-UHFFFAOYSA-N 1 0 339.823 3.195 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCCO[C@@H]1CCOC1)CCCC2 ZINC000417310200 309201166 /nfs/dbraw/zinc/20/11/66/309201166.db2.gz JRVXLXBVGFXFBA-AEFFLSMTSA-N 1 0 334.416 3.148 20 5 EGBDRO CCC[C@H]([NH2+][C@@H]1CCN(CC(F)F)C1)c1cccc([N+](=O)[O-])c1 ZINC000417381045 309203761 /nfs/dbraw/zinc/20/37/61/309203761.db2.gz HYRDLSOCJBXPCA-HIFRSBDPSA-N 1 0 327.375 3.365 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC(C)(C)C1(O)CCOCC1 ZINC000418125123 309236509 /nfs/dbraw/zinc/23/65/09/309236509.db2.gz IVPYCLRTTGAJIG-RVDMUPIBSA-N 1 0 348.443 3.155 20 5 EGBDRO O=C(NCCC[NH2+]C1CCCCC1)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000419911681 309273161 /nfs/dbraw/zinc/27/31/61/309273161.db2.gz UEQAKOBNHKIQAE-UHFFFAOYSA-N 1 0 344.415 3.118 20 5 EGBDRO Cc1cc(N2CCC[C@H]([C@H](C)[NH3+])C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420195417 309277045 /nfs/dbraw/zinc/27/70/45/309277045.db2.gz VXADKOPMEFCREX-QWRGUYRKSA-N 1 0 331.338 3.486 20 5 EGBDRO Cc1cc(N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420225904 309277537 /nfs/dbraw/zinc/27/75/37/309277537.db2.gz FNPFUUYKIJNHFY-NHCYSSNCSA-N 1 0 329.322 3.096 20 5 EGBDRO CCc1ccccc1[C@@H]([NH3+])CNc1cc(OC)c([N+](=O)[O-])cc1F ZINC000420270409 309278849 /nfs/dbraw/zinc/27/88/49/309278849.db2.gz GRBUGFQNFRBPDF-AWEZNQCLSA-N 1 0 333.363 3.417 20 5 EGBDRO Cc1cc(N[C@@H](CC[NH3+])C(F)F)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420271885 309278903 /nfs/dbraw/zinc/27/89/03/309278903.db2.gz WBOIMEAOOGHGQQ-QMMMGPOBSA-N 1 0 327.253 3.316 20 5 EGBDRO [NH3+][C@H]1CCC[C@H](CNc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000420291601 309279708 /nfs/dbraw/zinc/27/97/08/309279708.db2.gz VUIIQQNJFOUNBC-ONGXEEELSA-N 1 0 328.210 3.287 20 5 EGBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000420392582 309286042 /nfs/dbraw/zinc/28/60/42/309286042.db2.gz VSEYLELJLWOHPA-ISTRZQFTSA-N 1 0 329.375 3.222 20 5 EGBDRO CC1(C)[C@H](c2ccccc2)CC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000421013775 309307662 /nfs/dbraw/zinc/30/76/62/309307662.db2.gz GTKZQBIKIGSUMW-KRWDZBQOSA-N 1 0 341.411 3.025 20 5 EGBDRO C[NH+](C)C1CCC(NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000421037900 309309738 /nfs/dbraw/zinc/30/97/38/309309738.db2.gz HUOOYGICRCGKHK-UHFFFAOYSA-N 1 0 340.811 3.243 20 5 EGBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000421678561 309334237 /nfs/dbraw/zinc/33/42/37/309334237.db2.gz BGSSXHSZXKNXGO-GTPINHCMSA-N 1 0 347.459 3.153 20 5 EGBDRO Cc1ccc([C@H](C)NC(=O)[C@@H]([NH3+])CC2CCCCC2)cc1[N+](=O)[O-] ZINC000423270151 309393372 /nfs/dbraw/zinc/39/33/72/309393372.db2.gz GFKKMASBANABLN-BBRMVZONSA-N 1 0 333.432 3.378 20 5 EGBDRO Cc1ccc([C@H](C)NC(=O)c2ccc([C@@H](C)[NH3+])cc2)cc1[N+](=O)[O-] ZINC000423284255 309393907 /nfs/dbraw/zinc/39/39/07/309393907.db2.gz WVFCNGHVDUXYHZ-OLZOCXBDSA-N 1 0 327.384 3.414 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2NCCc3ccccc32)cc1[N+](=O)[O-] ZINC000423417599 309399455 /nfs/dbraw/zinc/39/94/55/309399455.db2.gz HBZIAWMSIIVORW-KSSFIOAISA-N 1 0 325.412 3.441 20 5 EGBDRO [NH3+][C@@H](CCC(=O)NCc1ccc([N+](=O)[O-])cc1)CC1CCCCC1 ZINC000424088283 309429081 /nfs/dbraw/zinc/42/90/81/309429081.db2.gz TXXCQLAMAYMKGU-INIZCTEOSA-N 1 0 333.432 3.289 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCO[C@H]1c1ccccc1 ZINC000430231851 309602423 /nfs/dbraw/zinc/60/24/23/309602423.db2.gz KQAVWKQKMJDOOF-AEFFLSMTSA-N 1 0 328.368 3.223 20 5 EGBDRO COc1cc(C[NH2+]CCc2ccc(SC)cc2)c([N+](=O)[O-])cc1O ZINC000435727034 309738961 /nfs/dbraw/zinc/73/89/61/309738961.db2.gz CMWHKHZLHRVIOH-UHFFFAOYSA-N 1 0 348.424 3.363 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H](CO)Cc1ccc(F)cc1)CCC2 ZINC000447585609 309983321 /nfs/dbraw/zinc/98/33/21/309983321.db2.gz KWEMLCNLTBNKPO-QFBILLFUSA-N 1 0 344.386 3.305 20 5 EGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000449062017 310033953 /nfs/dbraw/zinc/03/39/53/310033953.db2.gz KHCJCFFWLIMYIM-CYBMUJFWSA-N 1 0 328.368 3.087 20 5 EGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCO[C@@]2(CCSC2)C1 ZINC000449188882 310043305 /nfs/dbraw/zinc/04/33/05/310043305.db2.gz GQOYJNSSDNQGEN-KMFMINBZSA-N 1 0 336.457 3.170 20 5 EGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1nnc(C(C)(C)C)s1 ZINC000449192637 310043561 /nfs/dbraw/zinc/04/35/61/310043561.db2.gz RJLCVHAWIZHQIG-NSHDSACASA-N 1 0 334.445 3.465 20 5 EGBDRO CCO[C@@H]1C[C@H]([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])C12CCOCC2 ZINC000449251967 310047624 /nfs/dbraw/zinc/04/76/24/310047624.db2.gz TUEDWFSNLVIKTQ-FHLIZLRMSA-N 1 0 348.443 3.090 20 5 EGBDRO Cc1ccc(C[NH2+][C@@H]2CCO[C@@H](c3ccccn3)C2)cc1[N+](=O)[O-] ZINC000449614468 310075342 /nfs/dbraw/zinc/07/53/42/310075342.db2.gz HDEMFYPQWWRZRK-CRAIPNDOSA-N 1 0 327.384 3.308 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2csc(NC3CC[NH+](C4CC4)CC3)n2)cc1 ZINC000450227960 310109665 /nfs/dbraw/zinc/10/96/65/310109665.db2.gz ANHXQWGJMFCQFE-UHFFFAOYSA-N 1 0 344.440 3.179 20 5 EGBDRO COc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000451101010 310160549 /nfs/dbraw/zinc/16/05/49/310160549.db2.gz ZYYAHQQABAQURZ-STQMWFEESA-N 1 0 343.383 3.281 20 5 EGBDRO C[C@H]([NH2+][C@@H]1CCCN(CC(C)(C)C)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000451103368 310160705 /nfs/dbraw/zinc/16/07/05/310160705.db2.gz NKDJYYDBXGWTII-XJKSGUPXSA-N 1 0 333.432 3.283 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1CCC12CCCC2 ZINC000451464024 310179647 /nfs/dbraw/zinc/17/96/47/310179647.db2.gz YBEYJBPKBGDGHJ-MRXNPFEDSA-N 1 0 347.415 3.244 20 5 EGBDRO CCOc1cc(C[NH2+][C@H]2C[C@H](OCC)C23CCC3)ccc1[N+](=O)[O-] ZINC000451483372 310180674 /nfs/dbraw/zinc/18/06/74/310180674.db2.gz VNGUVXLRTUTUJD-IRXDYDNUSA-N 1 0 334.416 3.431 20 5 EGBDRO NC(=O)[C@H](c1ccccc1)[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451543755 310184500 /nfs/dbraw/zinc/18/45/00/310184500.db2.gz CMUDPALWEMIAKA-WMZOPIPTSA-N 1 0 339.395 3.001 20 5 EGBDRO CCn1cc(CC[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC000451548040 310185004 /nfs/dbraw/zinc/18/50/04/310185004.db2.gz MCDSRCUVULEXOJ-KRWDZBQOSA-N 1 0 328.416 3.233 20 5 EGBDRO COc1ccc2c(c1)C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)CCO2 ZINC000451642346 310190595 /nfs/dbraw/zinc/19/05/95/310190595.db2.gz LJDQVZPHYIONJW-UHFFFAOYSA-N 1 0 328.368 3.041 20 5 EGBDRO C[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H](CO)CC(C)(C)C ZINC000451785188 310197146 /nfs/dbraw/zinc/19/71/46/310197146.db2.gz FPOOWSCQXOZYAD-MRXNPFEDSA-N 1 0 347.415 3.479 20 5 EGBDRO C[C@@H]1C[C@@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c2nccn21 ZINC000453335970 310271638 /nfs/dbraw/zinc/27/16/38/310271638.db2.gz FEVCNOSZGIXPQE-DAXOMENPSA-N 1 0 326.400 3.408 20 5 EGBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCOCC1CCCC1 ZINC000453384194 310274110 /nfs/dbraw/zinc/27/41/10/310274110.db2.gz CNJVIIMFMLLDGF-CQSZACIVSA-N 1 0 349.431 3.108 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCCCC[N@@H+](C)C1CC1 ZINC000454940558 310336700 /nfs/dbraw/zinc/33/67/00/310336700.db2.gz IOEYROWESQDORU-UHFFFAOYSA-N 1 0 334.420 3.208 20 5 EGBDRO CCO[C@@H]1C[C@H]([NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)[C@]12CCCO2 ZINC000468616172 310691169 /nfs/dbraw/zinc/69/11/69/310691169.db2.gz BDPBDJXTCZMQSW-JRXSBMDESA-N 1 0 346.427 3.314 20 5 EGBDRO Cc1nc(N(CCCc2ccccc2)CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000471056288 310733443 /nfs/dbraw/zinc/73/34/43/310733443.db2.gz NWNWZAZARCKTPS-UHFFFAOYSA-N 1 0 342.443 3.299 20 5 EGBDRO CC(C)C[C@H](C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)N(C)C ZINC000480532784 310896078 /nfs/dbraw/zinc/89/60/78/310896078.db2.gz ADVBLGVCEPYMMG-QZTJIDSGSA-N 1 0 333.476 3.482 20 5 EGBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H](C)C(F)(F)F ZINC000480669307 310898832 /nfs/dbraw/zinc/89/88/32/310898832.db2.gz KEQSKMYWYGGTPZ-UWVGGRQHSA-N 1 0 333.310 3.100 20 5 EGBDRO Cc1c([C@@H](C)[NH2+]C[C@H](CO)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000481175903 310907910 /nfs/dbraw/zinc/90/79/10/310907910.db2.gz QJWUAUGROIGQNE-NVXWUHKLSA-N 1 0 328.412 3.405 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000487081292 311009912 /nfs/dbraw/zinc/00/99/12/311009912.db2.gz XWIKOGAYEXGZNK-MRXNPFEDSA-N 1 0 334.420 3.016 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000487182135 311014217 /nfs/dbraw/zinc/01/42/17/311014217.db2.gz ATCQYXIXBBLFKA-INIZCTEOSA-N 1 0 334.420 3.016 20 5 EGBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000487462739 311024776 /nfs/dbraw/zinc/02/47/76/311024776.db2.gz PLEQDSXLALFABU-HUUCEWRRSA-N 1 0 347.459 3.495 20 5 EGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCN(c2ccc(O)cc2)CC1 ZINC000487980679 311046169 /nfs/dbraw/zinc/04/61/69/311046169.db2.gz LRVSNJSJZHOHCZ-AWEZNQCLSA-N 1 0 327.384 3.184 20 5 EGBDRO C[C@H]1CN(c2ccc([N+](=O)[O-])c3cccnc32)CC[N@@H+](C2CCC2)C1 ZINC000488716947 311075968 /nfs/dbraw/zinc/07/59/68/311075968.db2.gz TVDXADLDPBIGSH-CQSZACIVSA-N 1 0 340.427 3.454 20 5 EGBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(c2ccc3ncccc3c2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488723987 311076499 /nfs/dbraw/zinc/07/64/99/311076499.db2.gz BIZJIXBVBIYWPD-LBTNJELSSA-N 1 0 340.427 3.310 20 5 EGBDRO CC(C)Oc1ccccc1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000488744219 311077788 /nfs/dbraw/zinc/07/77/88/311077788.db2.gz JWWCZRYIPICUGX-UHFFFAOYSA-N 1 0 344.415 3.416 20 5 EGBDRO COc1cc(C[N@@H+]2C[C@@H](C)C[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000490545673 311144527 /nfs/dbraw/zinc/14/45/27/311144527.db2.gz OCNYTGCEYPHTEA-QWRGUYRKSA-N 1 0 344.358 3.478 20 5 EGBDRO COC(=O)N1CCC([C@@H](C)[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000492200791 311225868 /nfs/dbraw/zinc/22/58/68/311225868.db2.gz KJFPMJFRADAGFF-OLZOCXBDSA-N 1 0 335.404 3.112 20 5 EGBDRO CCOc1cc(C[NH2+][C@@H](CCO)C2CCCCC2)ccc1[N+](=O)[O-] ZINC000492605327 311270621 /nfs/dbraw/zinc/27/06/21/311270621.db2.gz HKXBLDUSRAFNIY-INIZCTEOSA-N 1 0 336.432 3.414 20 5 EGBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000495432130 311563017 /nfs/dbraw/zinc/56/30/17/311563017.db2.gz HADTVYCZLWTOLS-WFASDCNBSA-N 1 0 349.431 3.248 20 5 EGBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000509527462 312119737 /nfs/dbraw/zinc/11/97/37/312119737.db2.gz QJBKULQPXFHBHZ-INIZCTEOSA-N 1 0 347.459 3.109 20 5 EGBDRO CCCN(CC[NH+]1CCCCC1)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000513174813 312203210 /nfs/dbraw/zinc/20/32/10/312203210.db2.gz ZHSLCIPVWXFCMR-UHFFFAOYSA-N 1 0 335.448 3.301 20 5 EGBDRO CCOc1cc(C[N@@H+](Cc2ccccc2)C[C@@H](C)O)ccc1[N+](=O)[O-] ZINC000514769392 312244349 /nfs/dbraw/zinc/24/43/49/312244349.db2.gz MPHFHWVNUPNKEC-OAHLLOKOSA-N 1 0 344.411 3.377 20 5 EGBDRO O=C(CC[NH2+]C[C@H]1CCc2ccccc21)Nc1ccccc1[N+](=O)[O-] ZINC000514931842 312254894 /nfs/dbraw/zinc/25/48/94/312254894.db2.gz ABEVDKDTRBKELU-OAHLLOKOSA-N 1 0 339.395 3.243 20 5 EGBDRO Cn1nccc1[C@H]1CCC[C@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000515124377 312266512 /nfs/dbraw/zinc/26/65/12/312266512.db2.gz YPXSIXWVFSPXFZ-GJZGRUSLSA-N 1 0 344.415 3.023 20 5 EGBDRO CCO[C@@H]1C[C@@H]([NH2+]CCOc2ccccc2[N+](=O)[O-])C12CCCC2 ZINC000516346743 312320812 /nfs/dbraw/zinc/32/08/12/312320812.db2.gz ICQOHACJPXKJCN-IAGOWNOFSA-N 1 0 334.416 3.301 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1COc2c(C)cccc2C1 ZINC000518623428 312423437 /nfs/dbraw/zinc/42/34/37/312423437.db2.gz JTQCRQOIQWNJRR-INIZCTEOSA-N 1 0 342.395 3.395 20 5 EGBDRO CC[C@@H]([NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC000531724374 313705905 /nfs/dbraw/zinc/70/59/05/313705905.db2.gz KIGXCPMEKZUCAJ-CXAGYDPISA-N 1 0 349.431 3.107 20 5 EGBDRO Cc1c(CN2CC[N@@H+](C)C[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000535653101 314058031 /nfs/dbraw/zinc/05/80/31/314058031.db2.gz LOQNDPWJKRCADC-LJQANCHMSA-N 1 0 325.412 3.392 20 5 EGBDRO COC(=O)[C@H](c1ccccc1)N(C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000536683300 314138085 /nfs/dbraw/zinc/13/80/85/314138085.db2.gz VLBIYASHRNWNCH-HCWHUNCVSA-N 1 0 340.379 3.454 20 5 EGBDRO C[C@H]([NH2+]CCNC(=O)c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000536865481 314150860 /nfs/dbraw/zinc/15/08/60/314150860.db2.gz XJIHMBBNSQSTHL-LBPRGKRZSA-N 1 0 347.802 3.329 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1cccnc1-n1cccn1 ZINC000537767687 314208034 /nfs/dbraw/zinc/20/80/34/314208034.db2.gz OMLHAUVEQGEZPB-AWEZNQCLSA-N 1 0 337.383 3.335 20 5 EGBDRO CCOc1cc(N2CCC([NH+]3CCCCC3)CC2)ccc1[N+](=O)[O-] ZINC000538896044 314283451 /nfs/dbraw/zinc/28/34/51/314283451.db2.gz ZQWSXKXJMRMOHG-UHFFFAOYSA-N 1 0 333.432 3.448 20 5 EGBDRO CCC[C@H](C)[C@H](CC)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000543599197 314639546 /nfs/dbraw/zinc/63/95/46/314639546.db2.gz RLRVETDFKYLYQP-BBRMVZONSA-N 1 0 342.461 3.173 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC(C)(C)[C@@H]2CCC[C@@H]21 ZINC000550062893 315114767 /nfs/dbraw/zinc/11/47/67/315114767.db2.gz YABOMGQKSHBQNR-ZBFHGGJFSA-N 1 0 331.416 3.352 20 5 EGBDRO CCC[C@H](C)C(=O)NCC[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000551222793 315146057 /nfs/dbraw/zinc/14/60/57/315146057.db2.gz MGORTFXTWMQGQX-SUMWQHHRSA-N 1 0 347.459 3.459 20 5 EGBDRO C[C@@H]1CCC[C@]1(O)C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000552406631 315218835 /nfs/dbraw/zinc/21/88/35/315218835.db2.gz HIPHQFLEYSVDOD-YEWFCNIMSA-N 1 0 332.444 3.447 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000562114611 315801254 /nfs/dbraw/zinc/80/12/54/315801254.db2.gz YZIRMZJMQPSMSB-GFCCVEGCSA-N 1 0 336.436 3.255 20 5 EGBDRO C[C@H](C(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000567207913 316582995 /nfs/dbraw/zinc/58/29/95/316582995.db2.gz UUMJCGLQUSGWGX-ZRGWGRIASA-N 1 0 347.459 3.325 20 5 EGBDRO CCCN(CC[NH+]1CCCCC1)C(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000568494674 316782173 /nfs/dbraw/zinc/78/21/73/316782173.db2.gz YIUJLXBCXPUATA-MRXNPFEDSA-N 1 0 347.459 3.423 20 5 EGBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@H]2CCCc3sccc32)c1 ZINC000572632784 317367155 /nfs/dbraw/zinc/36/71/55/317367155.db2.gz SEULDGPWYJZGKZ-BBRMVZONSA-N 1 0 348.424 3.063 20 5 EGBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2CCCc3sccc32)c1 ZINC000572632786 317367493 /nfs/dbraw/zinc/36/74/93/317367493.db2.gz SEULDGPWYJZGKZ-CZUORRHYSA-N 1 0 348.424 3.063 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)N(C)C2CCCCC2)cc1[N+](=O)[O-] ZINC000178280869 323354779 /nfs/dbraw/zinc/35/47/79/323354779.db2.gz NJFGKJJUHZRSNP-AWEZNQCLSA-N 1 0 333.432 3.345 20 5 EGBDRO Cc1c(C[NH2+][C@H](C)c2ccc(-n3cncn3)cc2)cccc1[N+](=O)[O-] ZINC000181901748 323512069 /nfs/dbraw/zinc/51/20/69/323512069.db2.gz GOHRZBSKSWFBDR-CQSZACIVSA-N 1 0 337.383 3.335 20 5 EGBDRO C[C@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000389824377 324279631 /nfs/dbraw/zinc/27/96/31/324279631.db2.gz NYGXLZKQEXKXGL-OXJNMPFZSA-N 1 0 339.439 3.247 20 5 EGBDRO CO[C@H](c1ccccc1)[C@@H](C)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000579065587 325054962 /nfs/dbraw/zinc/05/49/62/325054962.db2.gz AEMVOCYNXLSVJF-KDOFPFPSSA-N 1 0 330.384 3.339 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000579118574 325065742 /nfs/dbraw/zinc/06/57/42/325065742.db2.gz CYLPPULIODJJBT-WMLDXEAASA-N 1 0 334.416 3.385 20 5 EGBDRO COCC[NH2+]C1CCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000579249152 325084924 /nfs/dbraw/zinc/08/49/24/325084924.db2.gz REIXUHQGWCKONG-UHFFFAOYSA-N 1 0 348.230 3.106 20 5 EGBDRO C[C@@H](C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000581106307 325329850 /nfs/dbraw/zinc/32/98/50/325329850.db2.gz YIBOLDSYBBMEAZ-HUUCEWRRSA-N 1 0 347.459 3.325 20 5 EGBDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c(F)c1 ZINC000581290193 325348973 /nfs/dbraw/zinc/34/89/73/325348973.db2.gz KMIOEBAMLZUJDL-HZPDHXFCSA-N 1 0 348.378 3.213 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1CCO[C@]3(CCOC3)C1)CCCC2 ZINC000581477818 325364729 /nfs/dbraw/zinc/36/47/29/325364729.db2.gz DIROHYLKJUIMEP-KFKAGJAMSA-N 1 0 346.427 3.290 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000581914021 325398054 /nfs/dbraw/zinc/39/80/54/325398054.db2.gz KTEZSKIVXOKWHW-ZIAGYGMSSA-N 1 0 348.447 3.399 20 5 EGBDRO CCc1nn(C)c(NC[C@H](C(C)C)[NH+]2CCCCCC2)c1[N+](=O)[O-] ZINC000583773849 325550103 /nfs/dbraw/zinc/55/01/03/325550103.db2.gz NFGCBPFGVXSIAU-OAHLLOKOSA-N 1 0 337.468 3.203 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCCCC[N@H+]2CCCC[C@H]2C)c1 ZINC000173104938 455232715 /nfs/dbraw/zinc/23/27/15/455232715.db2.gz HJTYWBQQTZCCSP-OAHLLOKOSA-N 1 0 333.432 3.288 20 5 EGBDRO C[C@@H]([NH2+]CC(=O)N1CCCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000173358363 455272775 /nfs/dbraw/zinc/27/27/75/455272775.db2.gz OOKLNLRZHYRNTA-CQSZACIVSA-N 1 0 339.395 3.225 20 5 EGBDRO O=[N+]([O-])c1cccc(CN2CCC[N@H+](Cc3ccccc3)CC2)c1 ZINC000009987159 453269748 /nfs/dbraw/zinc/26/97/48/453269748.db2.gz GDPXLLFWBDISDC-UHFFFAOYSA-N 1 0 325.412 3.303 20 5 EGBDRO COc1ccccc1[C@@H](CNc1ncccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000015128605 453558540 /nfs/dbraw/zinc/55/85/40/453558540.db2.gz FMXMZNBIUSXIKQ-MRXNPFEDSA-N 1 0 342.399 3.247 20 5 EGBDRO CCn1ccc(C[N@H+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)c1 ZINC000616786388 460619193 /nfs/dbraw/zinc/61/91/93/460619193.db2.gz XVOLKPJOZUJTRO-UHFFFAOYSA-N 1 0 344.415 3.185 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)Cc1ccccc1 ZINC000026157332 453793193 /nfs/dbraw/zinc/79/31/93/453793193.db2.gz GJXPBAPBASSHNE-UHFFFAOYSA-N 1 0 327.384 3.364 20 5 EGBDRO C[C@@H](C1CC1)[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000031653769 453851046 /nfs/dbraw/zinc/85/10/46/453851046.db2.gz UXSCYUKFKKVRBD-JTQLQIEISA-N 1 0 337.807 3.450 20 5 EGBDRO C[C@@H](c1cccs1)[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000032490225 453876102 /nfs/dbraw/zinc/87/61/02/453876102.db2.gz TXVQEPYFUUUSDU-GXTWGEPZSA-N 1 0 336.413 3.089 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000067209411 453911274 /nfs/dbraw/zinc/91/12/74/453911274.db2.gz CYELJGHQCSIZCR-QGZVFWFLSA-N 1 0 345.374 3.075 20 5 EGBDRO CC(C)(C)c1ccc(C(=O)N2CC[NH+](CC3CC3)CC2)cc1[N+](=O)[O-] ZINC000055669067 454004824 /nfs/dbraw/zinc/00/48/24/454004824.db2.gz IARHAZFIZBWGGL-UHFFFAOYSA-N 1 0 345.443 3.060 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000043148819 454045454 /nfs/dbraw/zinc/04/54/54/454045454.db2.gz WYSBWADOVCXLRP-GXTWGEPZSA-N 1 0 334.420 3.145 20 5 EGBDRO O=C(C[NH2+]C1(c2ccccc2)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000077378288 454099718 /nfs/dbraw/zinc/09/97/18/454099718.db2.gz CYERTDXSBFJDJJ-UHFFFAOYSA-N 1 0 345.786 3.466 20 5 EGBDRO C[NH+]1CCC(CNc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000044526301 454105756 /nfs/dbraw/zinc/10/57/56/454105756.db2.gz AREJLRRGAYYUIW-UHFFFAOYSA-N 1 0 328.210 3.111 20 5 EGBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000069474950 454109935 /nfs/dbraw/zinc/10/99/35/454109935.db2.gz ZVLACMPVJIDQJW-LBPRGKRZSA-N 1 0 347.440 3.271 20 5 EGBDRO COCCOc1ccc([C@@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])cc1 ZINC000089512181 454157607 /nfs/dbraw/zinc/15/76/07/454157607.db2.gz PGHUCCFFZOAHSN-CQSZACIVSA-N 1 0 330.384 3.471 20 5 EGBDRO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCCO2 ZINC000089580817 454163339 /nfs/dbraw/zinc/16/33/39/454163339.db2.gz UELUQLPZQRUDTC-ZDUSSCGKSA-N 1 0 344.367 3.096 20 5 EGBDRO Cc1cccc(C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)c1[N+](=O)[O-] ZINC000045775034 454180725 /nfs/dbraw/zinc/18/07/25/454180725.db2.gz ATUVWJUFZUKPCS-INIZCTEOSA-N 1 0 333.432 3.144 20 5 EGBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000058313574 454184061 /nfs/dbraw/zinc/18/40/61/454184061.db2.gz MAWWCWUOZAOBPZ-GASCZTMLSA-N 1 0 333.432 3.083 20 5 EGBDRO CC1(C)CCCC[C@H]1[NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000119786340 454220397 /nfs/dbraw/zinc/22/03/97/454220397.db2.gz UFEZSKSTJPXTKU-MRXNPFEDSA-N 1 0 347.415 3.451 20 5 EGBDRO COc1ccccc1[C@H](CNc1ccc(F)cc1[N+](=O)[O-])[NH+](C)C ZINC000046228535 454230930 /nfs/dbraw/zinc/23/09/30/454230930.db2.gz MZZBNKFKZUQODB-INIZCTEOSA-N 1 0 333.363 3.457 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+]CCS(=O)(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000095967452 454242804 /nfs/dbraw/zinc/24/28/04/454242804.db2.gz PPQMDSLAQGZBKN-CQSZACIVSA-N 1 0 348.424 3.028 20 5 EGBDRO CCC[N@H+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)C1 ZINC000078563701 454276317 /nfs/dbraw/zinc/27/63/17/454276317.db2.gz YXDZZEARCKXBIE-CQSZACIVSA-N 1 0 328.416 3.311 20 5 EGBDRO CC(C)[NH+]1CCC(N(C)C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000060403792 454285536 /nfs/dbraw/zinc/28/55/36/454285536.db2.gz LDTDKCZEAFXLJP-UHFFFAOYSA-N 1 0 344.415 3.021 20 5 EGBDRO Cc1ccccc1[C@@H](C(C)C)[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000131995748 454304879 /nfs/dbraw/zinc/30/48/79/454304879.db2.gz UFIPMXZPVIZCRM-LJQANCHMSA-N 1 0 343.427 3.394 20 5 EGBDRO Cc1ccc(C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000046990585 454312895 /nfs/dbraw/zinc/31/28/95/454312895.db2.gz OQFDHCSHRZHTFL-CQSZACIVSA-N 1 0 333.432 3.145 20 5 EGBDRO C[C@H](NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000090526140 454316903 /nfs/dbraw/zinc/31/69/03/454316903.db2.gz KBYKQOOFDKNBNA-KYNGSXCRSA-N 1 0 347.459 3.013 20 5 EGBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccccc1C(F)(F)F ZINC000090538114 454318544 /nfs/dbraw/zinc/31/85/44/454318544.db2.gz IKPLNRAHXWHOLI-JTQLQIEISA-N 1 0 328.294 3.161 20 5 EGBDRO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000072663403 454324186 /nfs/dbraw/zinc/32/41/86/454324186.db2.gz HJWZCWFSNRFEAJ-KEYYUXOJSA-N 1 0 343.427 3.137 20 5 EGBDRO COCCc1nc(C)c([C@@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)s1 ZINC000090910283 454349522 /nfs/dbraw/zinc/34/95/22/454349522.db2.gz KJGWUQCPTGKZJR-GFCCVEGCSA-N 1 0 349.456 3.442 20 5 EGBDRO CC[C@H](CSC)[N@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000091097450 454383863 /nfs/dbraw/zinc/38/38/63/454383863.db2.gz VTHHVOGDOXEQRL-LLVKDONJSA-N 1 0 345.852 3.260 20 5 EGBDRO C[NH+](C)[C@@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000048050738 454435538 /nfs/dbraw/zinc/43/55/38/454435538.db2.gz KJKIVANAISIXKQ-INIZCTEOSA-N 1 0 346.362 3.158 20 5 EGBDRO O=[N+]([O-])c1ccc(Sc2nnc([C@H]3CCC[NH2+]C3)n2C2CC2)cc1 ZINC000091484005 454440865 /nfs/dbraw/zinc/44/08/65/454440865.db2.gz WGESDUVWXHKZEG-NSHDSACASA-N 1 0 345.428 3.139 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1CN1CCO[C@@](C)(c2ccccc2)C1 ZINC000121618095 454457596 /nfs/dbraw/zinc/45/75/96/454457596.db2.gz IKYWTCWLBFEKOH-LJQANCHMSA-N 1 0 342.395 3.351 20 5 EGBDRO O=[N+]([O-])c1ccc(NCCC[NH+]2CCN(c3ccccc3)CC2)s1 ZINC000064029471 454463918 /nfs/dbraw/zinc/46/39/18/454463918.db2.gz VERKYGDJRXJXAE-UHFFFAOYSA-N 1 0 346.456 3.281 20 5 EGBDRO CCc1nn(C)c(NC2CCC([NH+]3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000091734967 454464867 /nfs/dbraw/zinc/46/48/67/454464867.db2.gz GXAQSYGRLHTYKS-UHFFFAOYSA-N 1 0 335.452 3.100 20 5 EGBDRO COC(=O)c1ccc(C[N@H+](C)Cc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000091829483 454478634 /nfs/dbraw/zinc/47/86/34/454478634.db2.gz VHEXORUNDRCWDH-UHFFFAOYSA-N 1 0 328.368 3.322 20 5 EGBDRO COc1ccc2c(c1)C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)CC2 ZINC000065164712 454534339 /nfs/dbraw/zinc/53/43/39/454534339.db2.gz QPMDVBRCEXALHS-UHFFFAOYSA-N 1 0 328.368 3.041 20 5 EGBDRO C[C@@H](CNc1ccc([N+](=O)[O-])c(OC(F)F)c1)C[NH+]1CCCC1 ZINC000092612775 454594590 /nfs/dbraw/zinc/59/45/90/454594590.db2.gz CKMNTTUEVIHDDH-NSHDSACASA-N 1 0 329.347 3.340 20 5 EGBDRO CCCC[NH+]1CCC(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000134893029 454603312 /nfs/dbraw/zinc/60/33/12/454603312.db2.gz KCTARUOADNFFOG-UHFFFAOYSA-N 1 0 339.823 3.243 20 5 EGBDRO Cc1ccc(C[NH+]2CCC(OC[C@@H]3CCCO3)CC2)cc1[N+](=O)[O-] ZINC000092661657 454605067 /nfs/dbraw/zinc/60/50/67/454605067.db2.gz HAPMXNDEPTXISL-KRWDZBQOSA-N 1 0 334.416 3.063 20 5 EGBDRO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000051050855 454606867 /nfs/dbraw/zinc/60/68/67/454606867.db2.gz ZQXRWLBCRJQTDQ-ZBFHGGJFSA-N 1 0 333.432 3.112 20 5 EGBDRO CCCCNC(=O)[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000051058447 454607270 /nfs/dbraw/zinc/60/72/70/454607270.db2.gz LUQKCRDLORPSEV-INIZCTEOSA-N 1 0 333.432 3.032 20 5 EGBDRO COCC[N@H+](Cc1ccccc1)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000051375675 454621147 /nfs/dbraw/zinc/62/11/47/454621147.db2.gz DHAYGSCMLDINIK-UHFFFAOYSA-N 1 0 330.384 3.252 20 5 EGBDRO CC[NH+](CC)Cc1ccc(CNc2c([N+](=O)[O-])c(C)nn2C)cc1 ZINC000051453490 454625583 /nfs/dbraw/zinc/62/55/83/454625583.db2.gz HUONZAQIWDAPMY-UHFFFAOYSA-N 1 0 331.420 3.091 20 5 EGBDRO CC[N@H+](Cc1ccc2c(c1)OCO2)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000051705139 454634560 /nfs/dbraw/zinc/63/45/60/454634560.db2.gz FTFGTLFOXAMQHC-UHFFFAOYSA-N 1 0 344.367 3.354 20 5 EGBDRO Cc1c(NC(=O)CC[N@@H+]2CCn3cccc3[C@@H]2C)cccc1[N+](=O)[O-] ZINC000105593941 454644971 /nfs/dbraw/zinc/64/49/71/454644971.db2.gz IYPTYTVHGBLUOC-AWEZNQCLSA-N 1 0 342.399 3.110 20 5 EGBDRO C[C@H]1CCC[N@H+](CCCCNc2nc3sccn3c2[N+](=O)[O-])C1 ZINC000052247768 454664321 /nfs/dbraw/zinc/66/43/21/454664321.db2.gz SDAQIVIWPADITO-LBPRGKRZSA-N 1 0 337.449 3.228 20 5 EGBDRO C[C@H]([NH2+]C[C@@H]1CCN(CC(F)(F)F)C1)c1cccc([N+](=O)[O-])c1 ZINC000124243728 454708844 /nfs/dbraw/zinc/70/88/44/454708844.db2.gz DSVCGWZHLXSSRR-RYUDHWBXSA-N 1 0 331.338 3.130 20 5 EGBDRO C[C@@H](O)C[C@H]1CCC[N@@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000093482117 454718014 /nfs/dbraw/zinc/71/80/14/454718014.db2.gz LPJBYVLPZZIHOY-IUODEOHRSA-N 1 0 347.440 3.454 20 5 EGBDRO CCC[N@H+](C)C[C@H]1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000176282074 454722587 /nfs/dbraw/zinc/72/25/87/454722587.db2.gz IMVBKYMMGGDHGK-CYBMUJFWSA-N 1 0 325.840 3.412 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+]CCc2cn3c(n2)CCCC3)cc1[N+](=O)[O-] ZINC000152768735 454723410 /nfs/dbraw/zinc/72/34/10/454723410.db2.gz NXISQJRPJPDGQM-CQSZACIVSA-N 1 0 328.416 3.329 20 5 EGBDRO Cc1cccc(OC[C@@H](O)C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000152895178 454738118 /nfs/dbraw/zinc/73/81/18/454738118.db2.gz YSZQWFQHMPFQIQ-RDJZCZTQSA-N 1 0 344.411 3.302 20 5 EGBDRO Cc1cc(C(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)ccc1[N+](=O)[O-] ZINC000124475823 454738342 /nfs/dbraw/zinc/73/83/42/454738342.db2.gz ISTXOFIGRHGCAP-OAHLLOKOSA-N 1 0 333.432 3.001 20 5 EGBDRO Cc1cc(C(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)ccc1[N+](=O)[O-] ZINC000124475579 454738522 /nfs/dbraw/zinc/73/85/22/454738522.db2.gz ISTXOFIGRHGCAP-HNNXBMFYSA-N 1 0 333.432 3.001 20 5 EGBDRO CCOC(=O)CC[C@H]1CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000162065253 454748918 /nfs/dbraw/zinc/74/89/18/454748918.db2.gz VCMFOGNOPMNQDU-CYBMUJFWSA-N 1 0 338.379 3.289 20 5 EGBDRO CC(C)CC[NH+]1CCC(CNC(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000176543401 454757610 /nfs/dbraw/zinc/75/76/10/454757610.db2.gz RFRZEEHYEDGRSY-UHFFFAOYSA-N 1 0 339.461 3.144 20 5 EGBDRO CC[C@@H](NC(=O)N1CCC([NH2+]C(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000176692431 454772538 /nfs/dbraw/zinc/77/25/38/454772538.db2.gz PLQFDTRWHLZLQR-QGZVFWFLSA-N 1 0 348.447 3.218 20 5 EGBDRO CC[C@@H](NC(=O)N1CC[N@H+](C)C[C@@H]1C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000176709551 454773755 /nfs/dbraw/zinc/77/37/55/454773755.db2.gz OGRVVNFGVQSRIQ-IAGOWNOFSA-N 1 0 348.447 3.028 20 5 EGBDRO COc1ccc2c(c1)C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)CC2 ZINC000162598919 454787215 /nfs/dbraw/zinc/78/72/15/454787215.db2.gz WEWISHVSLDLIST-QGZVFWFLSA-N 1 0 326.396 3.293 20 5 EGBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000163219975 454831171 /nfs/dbraw/zinc/83/11/71/454831171.db2.gz XRWRTZXPKGXMRW-CXAGYDPISA-N 1 0 344.415 3.075 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@H](C)C1(C)CC1 ZINC000177252432 454842857 /nfs/dbraw/zinc/84/28/57/454842857.db2.gz YUFCWJLAKVWGQE-GFCCVEGCSA-N 1 0 335.404 3.052 20 5 EGBDRO C[C@@H](CC(=O)Nc1ccccc1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000177298049 454848292 /nfs/dbraw/zinc/84/82/92/454848292.db2.gz XPHCSTLRWVQMTG-AWEZNQCLSA-N 1 0 327.384 3.144 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]([C@H](C)C1CC1)C1CC1 ZINC000164696172 454887816 /nfs/dbraw/zinc/88/78/16/454887816.db2.gz CYZDOZHLUYOJLD-CYBMUJFWSA-N 1 0 331.416 3.495 20 5 EGBDRO CC[N@H+](CCc1ccccc1)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000164984056 454892723 /nfs/dbraw/zinc/89/27/23/454892723.db2.gz XDRCLTKMXNQUOI-UHFFFAOYSA-N 1 0 341.411 3.406 20 5 EGBDRO CC[C@H]([NH2+][C@H]1CCN(C(=O)C2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000126986615 454930813 /nfs/dbraw/zinc/93/08/13/454930813.db2.gz YEYMTOWGFGSACJ-WMZOPIPTSA-N 1 0 345.443 3.427 20 5 EGBDRO CC(C)[NH+]1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000127002809 454932221 /nfs/dbraw/zinc/93/22/21/454932221.db2.gz QQNNQNVMQXCDPL-UHFFFAOYSA-N 1 0 346.456 3.244 20 5 EGBDRO Cc1c([C@H](C)[NH2+]CCCN2CCCCCC2=O)cccc1[N+](=O)[O-] ZINC000155517162 455010592 /nfs/dbraw/zinc/01/05/92/455010592.db2.gz CISIFABWPIISDH-HNNXBMFYSA-N 1 0 333.432 3.347 20 5 EGBDRO CC[C@H]([NH2+]CCC(=O)NC1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000128734374 455080416 /nfs/dbraw/zinc/08/04/16/455080416.db2.gz HDRUNOXTJUZCQH-KRWDZBQOSA-N 1 0 333.432 3.475 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](Cc1ccccc1)CC(C)(C)O ZINC000180249102 455151709 /nfs/dbraw/zinc/15/17/09/455151709.db2.gz RGAJUOZVDJTDRC-UHFFFAOYSA-N 1 0 344.411 3.377 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000180338842 455159217 /nfs/dbraw/zinc/15/92/17/455159217.db2.gz GDPJJSOSNLNCDN-UHFFFAOYSA-N 1 0 333.432 3.123 20 5 EGBDRO Cc1ccc(C)c(OC[C@@H](O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000180414295 455165431 /nfs/dbraw/zinc/16/54/31/455165431.db2.gz FPTASTZIBVFGET-YJBOKZPZSA-N 1 0 344.411 3.302 20 5 EGBDRO Cc1cc(C)cc(OC[C@H](O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000180428642 455167794 /nfs/dbraw/zinc/16/77/94/455167794.db2.gz RJTQHRLXWWUSTL-MAUKXSAKSA-N 1 0 344.411 3.302 20 5 EGBDRO COC(=O)c1cccc(OCC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000180429597 455167920 /nfs/dbraw/zinc/16/79/20/455167920.db2.gz ZTZNJTNMYKBLCL-ZDUSSCGKSA-N 1 0 344.367 3.111 20 5 EGBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000172651956 455168415 /nfs/dbraw/zinc/16/84/15/455168415.db2.gz OVDZQBNSELJWAM-UHFFFAOYSA-N 1 0 332.404 3.077 20 5 EGBDRO C[C@@H](NC(=O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000180436902 455170432 /nfs/dbraw/zinc/17/04/32/455170432.db2.gz MPYVKDRVKZSDCQ-ZIAGYGMSSA-N 1 0 327.384 3.123 20 5 EGBDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000237323147 455173138 /nfs/dbraw/zinc/17/31/38/455173138.db2.gz GBUZRTXHAWHJJC-OCCSQVGLSA-N 1 0 333.432 3.092 20 5 EGBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@@H](CC(F)(F)F)c2ccc(F)cc2)n1 ZINC000180549124 455194093 /nfs/dbraw/zinc/19/40/93/455194093.db2.gz XYAYPHMGRDDODK-LBPRGKRZSA-N 1 0 346.284 3.214 20 5 EGBDRO C[C@@H]1C[C@H]1c1ccc(C[N@H+](CCn2cc([N+](=O)[O-])cn2)C2CC2)o1 ZINC000157663347 455218755 /nfs/dbraw/zinc/21/87/55/455218755.db2.gz MRCRAPJJXWAZSB-MLGOLLRUSA-N 1 0 330.388 3.172 20 5 EGBDRO Cc1cc(NCCCOC[C@H]2CCCO2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000181434460 455334285 /nfs/dbraw/zinc/33/42/85/455334285.db2.gz VRAVXTKKMBNVKU-OAHLLOKOSA-N 1 0 345.399 3.449 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000245898911 455394256 /nfs/dbraw/zinc/39/42/56/455394256.db2.gz NPKBURFQORNZGI-USXIJHARSA-N 1 0 332.400 3.041 20 5 EGBDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000600999092 460670347 /nfs/dbraw/zinc/67/03/47/460670347.db2.gz WPYANMCGUKCMGJ-ZDUSSCGKSA-N 1 0 337.395 3.118 20 5 EGBDRO CC(C)OCCC[N@H+](C)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000265864533 455395591 /nfs/dbraw/zinc/39/55/91/455395591.db2.gz KSQHBSPKPRRWJP-CYBMUJFWSA-N 1 0 348.403 3.453 20 5 EGBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000184653224 455422481 /nfs/dbraw/zinc/42/24/81/455422481.db2.gz ZZDFTCNFSDCGSV-INIZCTEOSA-N 1 0 347.459 3.153 20 5 EGBDRO CC[N@@H+](Cc1ccccc1C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182208676 455461169 /nfs/dbraw/zinc/46/11/69/455461169.db2.gz IMGOFHJAEUDEHI-QGZVFWFLSA-N 1 0 344.411 3.165 20 5 EGBDRO CC[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccc(Cl)cc1 ZINC000182307235 455485093 /nfs/dbraw/zinc/48/50/93/455485093.db2.gz BAAMAVDYAPOUEI-OAHLLOKOSA-N 1 0 335.791 3.151 20 5 EGBDRO Cc1cccc(C[C@H](CO)[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000191600834 455502585 /nfs/dbraw/zinc/50/25/85/455502585.db2.gz BGUXRWXIXZDVSA-VQIMIIECSA-N 1 0 342.439 3.418 20 5 EGBDRO C[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C[C@H]1CO ZINC000191727876 455513792 /nfs/dbraw/zinc/51/37/92/455513792.db2.gz BVXGLHHONRLSPD-OLZOCXBDSA-N 1 0 332.425 3.384 20 5 EGBDRO C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc(OC(F)(F)F)cc1 ZINC000182507577 455528535 /nfs/dbraw/zinc/52/85/35/455528535.db2.gz LICLSQQITJQCCK-JTQLQIEISA-N 1 0 344.293 3.041 20 5 EGBDRO CC(=O)Nc1cccc([C@H](C)[NH2+]CCOc2ccccc2[N+](=O)[O-])c1 ZINC000182545260 455537419 /nfs/dbraw/zinc/53/74/19/455537419.db2.gz FTVWKFVIMIDELF-ZDUSSCGKSA-N 1 0 343.383 3.283 20 5 EGBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2CCC[C@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000247246086 455577926 /nfs/dbraw/zinc/57/79/26/455577926.db2.gz ZLQIERCXACOGDH-PWNZVWSESA-N 1 0 349.431 3.345 20 5 EGBDRO COc1cccc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000185607623 455584420 /nfs/dbraw/zinc/58/44/20/455584420.db2.gz OOEPDJGKQGNGLD-UKRRQHHQSA-N 1 0 331.416 3.057 20 5 EGBDRO C[C@H]1C[N@H+](CCCNc2ccc3ncccc3c2[N+](=O)[O-])CCCO1 ZINC000277566383 455600702 /nfs/dbraw/zinc/60/07/02/455600702.db2.gz AUAVNMWVILFCPY-AWEZNQCLSA-N 1 0 344.415 3.056 20 5 EGBDRO CN(c1ncc([N+](=O)[O-])s1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000192454633 455621223 /nfs/dbraw/zinc/62/12/23/455621223.db2.gz WUBFMHCXMCITKG-UHFFFAOYSA-N 1 0 332.429 3.152 20 5 EGBDRO CC[C@@H]1C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H](C)O1 ZINC000247738082 455642887 /nfs/dbraw/zinc/64/28/87/455642887.db2.gz WETDLFTUOVIUFQ-CZUORRHYSA-N 1 0 345.399 3.292 20 5 EGBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000192595227 455648469 /nfs/dbraw/zinc/64/84/69/455648469.db2.gz YVIQGVYZORYVSR-HOCLYGCPSA-N 1 0 349.479 3.210 20 5 EGBDRO CCc1nnc([C@H](C)[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])[nH]1 ZINC000271471608 455649721 /nfs/dbraw/zinc/64/97/21/455649721.db2.gz IKISLYJNKYGYNK-KCQAQPDRSA-N 1 0 343.431 3.337 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000247986982 455666393 /nfs/dbraw/zinc/66/63/93/455666393.db2.gz IXGHULUUHFPWQX-MAUKXSAKSA-N 1 0 334.416 3.121 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H](O)c1cccc(F)c1)CCC2 ZINC000192745073 455684637 /nfs/dbraw/zinc/68/46/37/455684637.db2.gz DQYSTEFIPDVDLF-QZTJIDSGSA-N 1 0 330.359 3.435 20 5 EGBDRO O=C(c1cc2ccccc2c2cccnc12)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000292637422 455718213 /nfs/dbraw/zinc/71/82/13/455718213.db2.gz ZJFUIUCOMSQOQV-DNVCBOLYSA-N 1 0 331.419 3.212 20 5 EGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@](C)(O)c1cccs1 ZINC000268952529 455743304 /nfs/dbraw/zinc/74/33/04/455743304.db2.gz CPJYQYNVCFWTJY-GUYCJALGSA-N 1 0 334.441 3.475 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H](CO)Cc1ccccc1)CCC2 ZINC000193302452 455751448 /nfs/dbraw/zinc/75/14/48/455751448.db2.gz IVLKWWPGQTTYRB-VQIMIIECSA-N 1 0 326.396 3.165 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1CCCO[C@@H]1CC(C)C ZINC000186398499 455761279 /nfs/dbraw/zinc/76/12/79/455761279.db2.gz CFDMCXZOXCYZMF-IAGOWNOFSA-N 1 0 349.431 3.025 20 5 EGBDRO C[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1ccc([S@@](C)=O)cc1 ZINC000271796131 455762748 /nfs/dbraw/zinc/76/27/48/455762748.db2.gz KBGRGPAFSQNYFX-YEBMWUKDSA-N 1 0 348.424 3.062 20 5 EGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1COC2(CCCC2)O1 ZINC000271805328 455767814 /nfs/dbraw/zinc/76/78/14/455767814.db2.gz YFSLQLANENUTLB-HOCLYGCPSA-N 1 0 334.416 3.191 20 5 EGBDRO C[C@@H]([NH2+][C@@H](C)C(=O)N[C@H]1CCCC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000249774533 455776070 /nfs/dbraw/zinc/77/60/70/455776070.db2.gz VKNKBQQGFQUPOV-WVZRYYJFSA-N 1 0 333.432 3.329 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000194409216 455838964 /nfs/dbraw/zinc/83/89/64/455838964.db2.gz KMDNCGXHRJPHSP-HUUCEWRRSA-N 1 0 347.459 3.391 20 5 EGBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000272146508 455858431 /nfs/dbraw/zinc/85/84/31/455858431.db2.gz FNEASELJXJLAKR-LLVKDONJSA-N 1 0 339.823 3.051 20 5 EGBDRO Cc1nnc([C@@H]2CCC[N@@H+]([C@H](C)c3cc([N+](=O)[O-])ccc3C)C2)[nH]1 ZINC000272203095 455875805 /nfs/dbraw/zinc/87/58/05/455875805.db2.gz AXXWQXWALAUENP-TZMCWYRMSA-N 1 0 329.404 3.270 20 5 EGBDRO Cc1ccc(NC(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000272392594 455935998 /nfs/dbraw/zinc/93/59/98/455935998.db2.gz WAHANSVIFTVDOB-CYBMUJFWSA-N 1 0 334.420 3.097 20 5 EGBDRO C[N@@H+]1CC[C@@H](CSc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000187692030 455939238 /nfs/dbraw/zinc/93/92/38/455939238.db2.gz HCAVSOWBKWMLKX-SECBINFHSA-N 1 0 331.235 3.401 20 5 EGBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000195334585 455944970 /nfs/dbraw/zinc/94/49/70/455944970.db2.gz DHWWSPGRCVRFDA-INIZCTEOSA-N 1 0 343.431 3.369 20 5 EGBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc(C2([NH3+])CCC2)no1 ZINC000261864449 455961759 /nfs/dbraw/zinc/96/17/59/455961759.db2.gz UQIVDRWCKHKNKY-MRVPVSSYSA-N 1 0 338.751 3.109 20 5 EGBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1c1ccc([N+](=O)[O-])c2cnccc21 ZINC000286299143 456018978 /nfs/dbraw/zinc/01/89/78/456018978.db2.gz GAVYXLPOLYVFPA-BBRMVZONSA-N 1 0 326.400 3.206 20 5 EGBDRO C[NH+](C)[C@H](CNc1ncc([N+](=O)[O-])cc1Cl)c1cccc(F)c1 ZINC000301293275 456083649 /nfs/dbraw/zinc/08/36/49/456083649.db2.gz VVWKCUFZVXSSLT-CQSZACIVSA-N 1 0 338.770 3.497 20 5 EGBDRO COc1cc(NCCC[N@@H+]2CCc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000301335079 456093093 /nfs/dbraw/zinc/09/30/93/456093093.db2.gz CMTATASXXNZRRS-UHFFFAOYSA-N 1 0 341.411 3.464 20 5 EGBDRO O=[N+]([O-])c1ccc2nccc(N3CC[C@H]([NH+]4CCCCC4)C3)c2c1 ZINC000601116666 460715443 /nfs/dbraw/zinc/71/54/43/460715443.db2.gz WMFZAABWOPDZFF-HNNXBMFYSA-N 1 0 326.400 3.208 20 5 EGBDRO Cc1cccc([C@H]2CC[N@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)c1 ZINC000273039712 456155986 /nfs/dbraw/zinc/15/59/86/456155986.db2.gz DQIBNGPCXBVSMS-HKUYNNGSSA-N 1 0 326.396 3.426 20 5 EGBDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000301669648 456179997 /nfs/dbraw/zinc/17/99/97/456179997.db2.gz NUVYDJFVBGRYBH-OAHLLOKOSA-N 1 0 332.448 3.471 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000236775303 456182172 /nfs/dbraw/zinc/18/21/72/456182172.db2.gz PQFITCMASQWHFZ-GOSISDBHSA-N 1 0 341.411 3.456 20 5 EGBDRO O=[N+]([O-])c1ccc(Br)cc1N1CC[C@H]([NH+]2CCCC2)C1 ZINC000301690896 456188613 /nfs/dbraw/zinc/18/86/13/456188613.db2.gz WKLJWZZKXIJQRC-LBPRGKRZSA-N 1 0 340.221 3.032 20 5 EGBDRO C[NH+](C)[C@@H]1CCC[C@H](Nc2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000301695151 456189594 /nfs/dbraw/zinc/18/95/94/456189594.db2.gz PGPPAKGLWQIQFO-WDEREUQCSA-N 1 0 343.225 3.037 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C3CCCC3)CC2)c(OC(F)F)c1 ZINC000302030007 456271508 /nfs/dbraw/zinc/27/15/08/456271508.db2.gz BLEAVAFSUSMLDC-UHFFFAOYSA-N 1 0 341.358 3.261 20 5 EGBDRO CCC[N@H+](CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])CC1CC1 ZINC000297800905 456297120 /nfs/dbraw/zinc/29/71/20/456297120.db2.gz HXRFFLDQTKJFGK-UHFFFAOYSA-N 1 0 335.404 3.054 20 5 EGBDRO CCOc1cccc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000302167973 456305458 /nfs/dbraw/zinc/30/54/58/456305458.db2.gz SGSAVKDGIFCEBU-GDBMZVCRSA-N 1 0 345.443 3.447 20 5 EGBDRO CCCC[NH+]1CCC(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC000342920604 456313574 /nfs/dbraw/zinc/31/35/74/456313574.db2.gz KVJAZBZDVQAWBD-UHFFFAOYSA-N 1 0 344.415 3.070 20 5 EGBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC000275829602 456326661 /nfs/dbraw/zinc/32/66/61/456326661.db2.gz OBQQUBAFHURMFE-HNNXBMFYSA-N 1 0 349.434 3.260 20 5 EGBDRO Cc1cc(N(CC[NH+](C)C)Cc2ccccc2F)ncc1[N+](=O)[O-] ZINC000347740898 456342514 /nfs/dbraw/zinc/34/25/14/456342514.db2.gz PYQZELFPCOEBBT-UHFFFAOYSA-N 1 0 332.379 3.006 20 5 EGBDRO O=[N+]([O-])c1ccc(OCCC[NH2+][C@H]2CCCC23CCOCC3)cc1 ZINC000281952800 456371873 /nfs/dbraw/zinc/37/18/73/456371873.db2.gz FSBLUKIZLDJQNY-KRWDZBQOSA-N 1 0 334.416 3.303 20 5 EGBDRO COc1ccc(C[NH2+][C@@H]2Cc3[nH]c4ccccc4c3C2)cc1[N+](=O)[O-] ZINC000281997197 456386633 /nfs/dbraw/zinc/38/66/33/456386633.db2.gz PZSOJVHEOFWXAS-ZDUSSCGKSA-N 1 0 337.379 3.342 20 5 EGBDRO CCCN(CC[NH+]1CCCC1)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000352894354 456395515 /nfs/dbraw/zinc/39/55/15/456395515.db2.gz SJCSQSYWRAXZLG-UHFFFAOYSA-N 1 0 327.375 3.181 20 5 EGBDRO CCOC1(C)CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000298232554 456399132 /nfs/dbraw/zinc/39/91/32/456399132.db2.gz HQWWTFGKQBCRIV-UHFFFAOYSA-N 1 0 349.431 3.123 20 5 EGBDRO O=[N+]([O-])c1ccccc1NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000302800283 456405777 /nfs/dbraw/zinc/40/57/77/456405777.db2.gz SPVVKWOVJUGICV-KRWDZBQOSA-N 1 0 341.411 3.298 20 5 EGBDRO O=C(CC[N@@H+]1CC2(CCC2)[C@H]1C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000290766226 456424895 /nfs/dbraw/zinc/42/48/95/456424895.db2.gz KVAXMJNNPUKWRO-QGZVFWFLSA-N 1 0 329.400 3.188 20 5 EGBDRO O=C(C[N@@H+]1CCC[C@H]2CCCC[C@@H]21)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000302914125 456436588 /nfs/dbraw/zinc/43/65/88/456436588.db2.gz UVFZYYROAAFLMJ-PBHICJAKSA-N 1 0 343.427 3.139 20 5 EGBDRO C[C@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H]1CCCOC1 ZINC000348135583 456507490 /nfs/dbraw/zinc/50/74/90/456507490.db2.gz JPHCLNOSPVDCJG-DZGCQCFKSA-N 1 0 345.399 3.197 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCC2(CCC2)C1 ZINC000348176671 456515583 /nfs/dbraw/zinc/51/55/83/456515583.db2.gz GGCPDUKJYZHSAO-UHFFFAOYSA-N 1 0 331.416 3.498 20 5 EGBDRO CC(C)(C)[C@@H]1NC(=O)CC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000353145706 456521354 /nfs/dbraw/zinc/52/13/54/456521354.db2.gz XJNOSIQDQXTVKZ-DZGCQCFKSA-N 1 0 339.823 3.031 20 5 EGBDRO CC[NH+](CC)CCN(CC(C)C)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000340554430 456527855 /nfs/dbraw/zinc/52/78/55/456527855.db2.gz UIXFEPFONVMTGX-UHFFFAOYSA-N 1 0 339.411 3.174 20 5 EGBDRO Cc1ccnc(N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)c1[N+](=O)[O-] ZINC000310157948 456580009 /nfs/dbraw/zinc/58/00/09/456580009.db2.gz HPYIZDINJBJXAS-GDBMZVCRSA-N 1 0 326.400 3.373 20 5 EGBDRO COc1cc(C[NH2+][C@@H](C)c2ccc3n[nH]cc3c2)ccc1[N+](=O)[O-] ZINC000353283981 456610228 /nfs/dbraw/zinc/61/02/28/456610228.db2.gz BTDZABHZFYBMAJ-NSHDSACASA-N 1 0 326.356 3.331 20 5 EGBDRO CCS(=O)(=O)c1cccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000343463938 456638195 /nfs/dbraw/zinc/63/81/95/456638195.db2.gz GACGVHAQXVJCOQ-CYBMUJFWSA-N 1 0 348.424 3.239 20 5 EGBDRO CCCC[NH+]1CCC(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000299296690 456651753 /nfs/dbraw/zinc/65/17/53/456651753.db2.gz DGLMQSHVTYDQPG-UHFFFAOYSA-N 1 0 345.399 3.335 20 5 EGBDRO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000324602079 456670664 /nfs/dbraw/zinc/67/06/64/456670664.db2.gz HZPZCMPJGWEKKI-GHMZBOCLSA-N 1 0 326.356 3.176 20 5 EGBDRO CCOc1cccc(N2CCC([NH+]3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000277170284 456706794 /nfs/dbraw/zinc/70/67/94/456706794.db2.gz UFBPQCJSXSWERK-UHFFFAOYSA-N 1 0 333.432 3.448 20 5 EGBDRO C[NH+](C)[C@H]1CCCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000277175816 456709675 /nfs/dbraw/zinc/70/96/75/456709675.db2.gz KXVKTUHCBPAOSP-INIZCTEOSA-N 1 0 344.415 3.166 20 5 EGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](Cc2nccn2C)C1 ZINC000340892700 456744943 /nfs/dbraw/zinc/74/49/43/456744943.db2.gz BTNZOCGSVDROOV-CABCVRRESA-N 1 0 328.416 3.344 20 5 EGBDRO O=[N+]([O-])c1ccc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1F ZINC000283311526 456756675 /nfs/dbraw/zinc/75/66/75/456756675.db2.gz ZAOMKWDAQBHOGE-WMLDXEAASA-N 1 0 333.407 3.183 20 5 EGBDRO CCc1nn(C)c(NC[C@@H]([NH2+][C@@H](C)CC)c2ccco2)c1[N+](=O)[O-] ZINC000340972272 456791619 /nfs/dbraw/zinc/79/16/19/456791619.db2.gz PVPYRKMCFHJQFZ-WCQYABFASA-N 1 0 335.408 3.025 20 5 EGBDRO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000277417597 456818353 /nfs/dbraw/zinc/81/83/53/456818353.db2.gz COXSIPXRWKGARB-HNNXBMFYSA-N 1 0 343.383 3.088 20 5 EGBDRO COc1cc(C[NH2+][C@@H](C)[C@H]2COc3ccccc32)ccc1[N+](=O)[O-] ZINC000348771865 456849926 /nfs/dbraw/zinc/84/99/26/456849926.db2.gz HULCZJUMJNPVFB-SWLSCSKDSA-N 1 0 328.368 3.258 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3ccc4c(c3)CCC4)C2)nc1 ZINC000353719346 456871618 /nfs/dbraw/zinc/87/16/18/456871618.db2.gz ZNYSOWQWIFMPLE-QGZVFWFLSA-N 1 0 338.411 3.165 20 5 EGBDRO C[C@@H]([NH2+]Cc1ccc(C[S@](C)=O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000353809730 456916369 /nfs/dbraw/zinc/91/63/69/456916369.db2.gz BUCVFTFXAFGTMO-ZLOXQWCVSA-N 1 0 332.425 3.324 20 5 EGBDRO C[C@H]1CCC[C@@](CNC(=O)Nc2ccc([N+](=O)[O-])cc2)([NH+](C)C)C1 ZINC000339102542 456941233 /nfs/dbraw/zinc/94/12/33/456941233.db2.gz MDZYOTSVSGMMFC-SUMWQHHRSA-N 1 0 334.420 3.227 20 5 EGBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[NH2+][C@H]2CCO[C@H]2C2CC2)c1 ZINC000339125415 456951768 /nfs/dbraw/zinc/95/17/68/456951768.db2.gz VNDFKAJMWBRGFM-KBPBESRZSA-N 1 0 330.306 3.271 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000353894296 456954417 /nfs/dbraw/zinc/95/44/17/456954417.db2.gz BNJBDMOVOOLHGO-CYBMUJFWSA-N 1 0 334.420 3.011 20 5 EGBDRO CC[C@H](C(=O)NCc1ccccc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000339270785 457032349 /nfs/dbraw/zinc/03/23/49/457032349.db2.gz RELJKSCCJHQYBQ-QGZVFWFLSA-N 1 0 341.411 3.122 20 5 EGBDRO C[C@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC12CCC2 ZINC000357044096 457294583 /nfs/dbraw/zinc/29/45/83/457294583.db2.gz UWAPLXNYOWTBTB-AWEZNQCLSA-N 1 0 331.416 3.436 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1[C@H](C)C[C@H]2CCCC[C@H]21 ZINC000332064329 457296768 /nfs/dbraw/zinc/29/67/68/457296768.db2.gz RWMLDGNSHAQTKP-RBSFLKMASA-N 1 0 331.416 3.495 20 5 EGBDRO CC(C)[NH+](CCN(C)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)C(C)C ZINC000357055167 457301066 /nfs/dbraw/zinc/30/10/66/457301066.db2.gz SOSAHCCNTAIBHG-UHFFFAOYSA-N 1 0 346.431 3.267 20 5 EGBDRO CCOc1ccc([C@H]2CCCN2Cc2c([N+](=O)[O-])ncn2C)cc1 ZINC000363355993 457304481 /nfs/dbraw/zinc/30/44/81/457304481.db2.gz NEYBCHPQIFJSNT-OAHLLOKOSA-N 1 0 330.388 3.064 20 5 EGBDRO CN(CC1CCN(c2cc[nH+]cc2)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000342470364 457320825 /nfs/dbraw/zinc/32/08/25/457320825.db2.gz HNVZODARZIHTMH-UHFFFAOYSA-N 1 0 344.390 3.482 20 5 EGBDRO CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)CCC1CC1 ZINC000355032397 457338584 /nfs/dbraw/zinc/33/85/84/457338584.db2.gz HIUYKLRXJAYGOD-UHFFFAOYSA-N 1 0 335.404 3.054 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000332364093 457355790 /nfs/dbraw/zinc/35/57/90/457355790.db2.gz DGMMMHMTLWZBSA-HUUCEWRRSA-N 1 0 346.431 3.065 20 5 EGBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1ncnc2cccc([N+](=O)[O-])c21 ZINC000347425112 457419977 /nfs/dbraw/zinc/41/99/77/457419977.db2.gz ZJSVOIFOAQONTJ-HZSPNIEDSA-N 1 0 343.431 3.316 20 5 EGBDRO COc1ccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1NC(C)=O ZINC000360942792 457451381 /nfs/dbraw/zinc/45/13/81/457451381.db2.gz QWRUCJHVMKPHSW-GFCCVEGCSA-N 1 0 343.383 3.413 20 5 EGBDRO C[C@]1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCN(Cc2ccccc2)C1 ZINC000406031151 457555459 /nfs/dbraw/zinc/55/54/59/457555459.db2.gz NBHNKWMHTQXSKN-IBGZPJMESA-N 1 0 325.412 3.349 20 5 EGBDRO C[C@H](CCNc1ncnc2sc([N+](=O)[O-])cc21)[NH+]1CCCCC1 ZINC000342856923 457560314 /nfs/dbraw/zinc/56/03/14/457560314.db2.gz WIIYUSGFJQKQBU-LLVKDONJSA-N 1 0 335.433 3.276 20 5 EGBDRO CCn1c(C)nc([N+](=O)[O-])c1N(CC[NH+](C)C)CC1CCCCC1 ZINC000361073273 457564601 /nfs/dbraw/zinc/56/46/01/457564601.db2.gz JRQPKGOGPAKGOO-UHFFFAOYSA-N 1 0 337.468 3.068 20 5 EGBDRO C[C@H](CCO)[N@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000357552081 457592708 /nfs/dbraw/zinc/59/27/08/457592708.db2.gz KCEBMEHRTYTVME-MRXNPFEDSA-N 1 0 344.411 3.247 20 5 EGBDRO CCc1cnccc1[C@H](C)[NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000361134458 457603904 /nfs/dbraw/zinc/60/39/04/457603904.db2.gz GBCDGVOYCZLFCZ-ZDUSSCGKSA-N 1 0 342.399 3.150 20 5 EGBDRO CSC1(CNc2ccc([N+](=O)[O-])c(C(C)=O)c2)CC[NH+](C)CC1 ZINC000357582307 457605674 /nfs/dbraw/zinc/60/56/74/457605674.db2.gz OOXLNWPDGYHBKR-UHFFFAOYSA-N 1 0 337.445 3.037 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)C[C@H](O)Cc1ccccc1 ZINC000433045480 457652152 /nfs/dbraw/zinc/65/21/52/457652152.db2.gz MDMOFIAMBOXAJZ-MAUKXSAKSA-N 1 0 328.412 3.500 20 5 EGBDRO CC1=CC[N@H+](CCNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000358164077 457827739 /nfs/dbraw/zinc/82/77/39/457827739.db2.gz JXNRWHJEBWBXEI-UHFFFAOYSA-N 1 0 338.795 3.022 20 5 EGBDRO Cn1cccc1[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411328206 457857951 /nfs/dbraw/zinc/85/79/51/457857951.db2.gz SPWMUASWYOQEKH-KRWDZBQOSA-N 1 0 342.399 3.099 20 5 EGBDRO C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC[C@@H]1C ZINC000411409825 457878728 /nfs/dbraw/zinc/87/87/28/457878728.db2.gz RIZKRVAWWYGXNC-DFEHZGFQSA-N 1 0 345.443 3.077 20 5 EGBDRO C[C@@H]([NH2+][C@H]1CCN(c2ccc(F)cc2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000411457185 457893416 /nfs/dbraw/zinc/89/34/16/457893416.db2.gz NEUMNVNPMWWWGP-PXAZEXFGSA-N 1 0 343.358 3.190 20 5 EGBDRO CC[N@@H+]1C[C@H](C)N(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)C[C@H]1C ZINC000361871229 457919912 /nfs/dbraw/zinc/91/99/12/457919912.db2.gz JGYFMKARQGSJCX-KGLIPLIRSA-N 1 0 334.420 3.158 20 5 EGBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000371444047 457933896 /nfs/dbraw/zinc/93/38/96/457933896.db2.gz VKDKAEBXLMOIFG-JKSUJKDBSA-N 1 0 334.416 3.112 20 5 EGBDRO CC[N@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@@H]1CCCC[C@H]1C ZINC000444679076 457937335 /nfs/dbraw/zinc/93/73/35/457937335.db2.gz TUTPAHLVWDIUOM-CZUORRHYSA-N 1 0 349.431 3.443 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCc1cnc2n1CCCC2 ZINC000375488764 457948441 /nfs/dbraw/zinc/94/84/41/457948441.db2.gz WNEILSMHBUVKOM-UHFFFAOYSA-N 1 0 343.387 3.066 20 5 EGBDRO CC(C)[C@H]1CCC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000444751711 457966592 /nfs/dbraw/zinc/96/65/92/457966592.db2.gz QHUXJAGUXHHHOH-AWEZNQCLSA-N 1 0 347.415 3.261 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)C1CC(C)(C)C1 ZINC000411813789 457984490 /nfs/dbraw/zinc/98/44/90/457984490.db2.gz BKNGYKFNUWQENV-UHFFFAOYSA-N 1 0 335.404 3.052 20 5 EGBDRO COc1ccc(NC(=O)CC[NH2+][C@]2(C)CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000411815602 457985514 /nfs/dbraw/zinc/98/55/14/457985514.db2.gz JYGKCTYGJLBNNP-FZKQIMNGSA-N 1 0 349.431 3.490 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[NH+]2CCC(n3cc(Cl)cn3)CC2)cc1 ZINC000367852534 457985991 /nfs/dbraw/zinc/98/59/91/457985991.db2.gz FDRNGGSECDFKNG-UHFFFAOYSA-N 1 0 334.807 3.324 20 5 EGBDRO CO[C@](C)([C@@H](C)[NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000411967266 458025169 /nfs/dbraw/zinc/02/51/69/458025169.db2.gz HXAFHWFOWMYCPI-FZKQIMNGSA-N 1 0 349.431 3.025 20 5 EGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCn2ccnc2C1 ZINC000427884971 458046482 /nfs/dbraw/zinc/04/64/82/458046482.db2.gz VDVIMYZGIZWOBX-KGLIPLIRSA-N 1 0 346.456 3.267 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@H](Cc2cnn(C)c2)C1 ZINC000375817514 458080809 /nfs/dbraw/zinc/08/08/09/458080809.db2.gz UIEUDSGTVUSJKS-HUUCEWRRSA-N 1 0 328.416 3.262 20 5 EGBDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412152073 458109571 /nfs/dbraw/zinc/10/95/71/458109571.db2.gz ZJYDHXNYTSNDNX-BPQIPLTHSA-N 1 0 345.443 3.031 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCC[C@@H](c2ccnn2C)C1 ZINC000376079143 458187918 /nfs/dbraw/zinc/18/79/18/458187918.db2.gz HAEHBUJXDSQKMI-UKRRQHHQSA-N 1 0 344.415 3.153 20 5 EGBDRO CCC(CC)[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1C)[NH+](C)C ZINC000446489160 458191532 /nfs/dbraw/zinc/19/15/32/458191532.db2.gz VHXCEEAVMLSWHW-MRXNPFEDSA-N 1 0 336.436 3.391 20 5 EGBDRO CCC(CC)[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1C)[NH+](C)C ZINC000446489159 458191538 /nfs/dbraw/zinc/19/15/38/458191538.db2.gz VHXCEEAVMLSWHW-INIZCTEOSA-N 1 0 336.436 3.391 20 5 EGBDRO CCCN(CCC[NH+](C)C)C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000458889357 458206157 /nfs/dbraw/zinc/20/61/57/458206157.db2.gz NQQRKSSCBWCGSH-AWEZNQCLSA-N 1 0 336.436 3.029 20 5 EGBDRO C[C@@H]1C[C@@H]1c1ccc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)o1 ZINC000369557060 458264253 /nfs/dbraw/zinc/26/42/53/458264253.db2.gz RVUYJAVRZIOHNK-DOMZBBRYSA-N 1 0 330.388 3.345 20 5 EGBDRO C[N@@H+]1CCC[C@H](CCNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000459271638 458311469 /nfs/dbraw/zinc/31/14/69/458311469.db2.gz WBOGQQPBWGZKHG-LLVKDONJSA-N 1 0 340.811 3.102 20 5 EGBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000436506587 458317053 /nfs/dbraw/zinc/31/70/53/458317053.db2.gz CJAFJICGNIFCSC-AWEZNQCLSA-N 1 0 334.420 3.208 20 5 EGBDRO Cc1c(NC(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)cccc1[N+](=O)[O-] ZINC000447912796 458364908 /nfs/dbraw/zinc/36/49/08/458364908.db2.gz KVKPNGCQDSMRCX-HNNXBMFYSA-N 1 0 334.420 3.145 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@H]1NCCc3ccccc31)CCC2 ZINC000423445539 458434662 /nfs/dbraw/zinc/43/46/62/458434662.db2.gz YJCSXJBVPPFVPE-VQTJNVASSA-N 1 0 337.423 3.449 20 5 EGBDRO CC[NH+](CC)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437209880 458435156 /nfs/dbraw/zinc/43/51/56/458435156.db2.gz YRBZLKYOZZNCCR-JTQLQIEISA-N 1 0 347.337 3.074 20 5 EGBDRO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000430826719 458495615 /nfs/dbraw/zinc/49/56/15/458495615.db2.gz XCAXCGBXCUXCOT-DOTOQJQBSA-N 1 0 333.432 3.225 20 5 EGBDRO COc1ccc(OCC[N@@H+]2CC[C@H]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000437829319 458498181 /nfs/dbraw/zinc/49/81/81/458498181.db2.gz OSBLOTQNBSDYRI-INIZCTEOSA-N 1 0 342.395 3.299 20 5 EGBDRO CC(C)c1ccc(C[C@@H]2CC[N@H+](CCn3ccc([N+](=O)[O-])n3)C2)cc1 ZINC000460977180 458543443 /nfs/dbraw/zinc/54/34/43/458543443.db2.gz KRASEHBWNZXJNE-KRWDZBQOSA-N 1 0 342.443 3.479 20 5 EGBDRO [NH3+]C1(c2noc(C(F)(F)c3ccc([N+](=O)[O-])cc3)n2)CCCCC1 ZINC000424340748 458621241 /nfs/dbraw/zinc/62/12/41/458621241.db2.gz HLAIBAKALCJIHK-UHFFFAOYSA-N 1 0 338.314 3.236 20 5 EGBDRO CCSCCC[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000502299163 458644157 /nfs/dbraw/zinc/64/41/57/458644157.db2.gz GJSOYJFINUXOAJ-GFCCVEGCSA-N 1 0 325.434 3.045 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(N2CC[NH+](Cc3cccc(C)c3)CC2)c1 ZINC000462921823 458666295 /nfs/dbraw/zinc/66/62/95/458666295.db2.gz DQZNFLPPIDEBCY-UHFFFAOYSA-N 1 0 341.411 3.234 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@H]2CCn3ccnc3C2)o1 ZINC000494422191 458673623 /nfs/dbraw/zinc/67/36/23/458673623.db2.gz BKFPOXJRHBNGMA-ZDUSSCGKSA-N 1 0 338.367 3.156 20 5 EGBDRO C[N@@H+]1CCC[C@@H]2CN(c3ccnc4c3cccc4[N+](=O)[O-])CC[C@@H]21 ZINC000432339632 458720325 /nfs/dbraw/zinc/72/03/25/458720325.db2.gz UGYMSAHSKIMJPZ-HIFRSBDPSA-N 1 0 326.400 3.064 20 5 EGBDRO CCc1ccc(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000471821176 458737731 /nfs/dbraw/zinc/73/77/31/458737731.db2.gz JPGXUOMBBPUIBM-ZIAGYGMSSA-N 1 0 333.432 3.007 20 5 EGBDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000439700050 458743545 /nfs/dbraw/zinc/74/35/45/458743545.db2.gz FRLBLPSSCSWHEN-SFHVURJKSA-N 1 0 347.459 3.154 20 5 EGBDRO CCC[C@]1(C)CCC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000464842729 458781328 /nfs/dbraw/zinc/78/13/28/458781328.db2.gz KZSZXNWDWFDDGD-SJLPKXTDSA-N 1 0 336.432 3.237 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CCOC3CCCCCC3)C2)nc1 ZINC000440493977 458819462 /nfs/dbraw/zinc/81/94/62/458819462.db2.gz ZBKQWDRUJCEJCZ-HNNXBMFYSA-N 1 0 348.447 3.215 20 5 EGBDRO CC(C)[N@@H+]1CCC[C@@H](CNc2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000473518594 458832315 /nfs/dbraw/zinc/83/23/15/458832315.db2.gz MJKAZPRLYUVKBP-AWEZNQCLSA-N 1 0 328.416 3.097 20 5 EGBDRO COC(=O)COc1ccc(C[NH2+]CCC2=CCCCC2)cc1[N+](=O)[O-] ZINC000474354021 458879311 /nfs/dbraw/zinc/87/93/11/458879311.db2.gz IUVHKVVKPSVGAD-UHFFFAOYSA-N 1 0 348.399 3.127 20 5 EGBDRO Cc1cc(NC[C@@]2(C)CCO[C@@H]2C2CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000466640534 458910549 /nfs/dbraw/zinc/91/05/49/458910549.db2.gz QEIXRWGMWALERP-RTBURBONSA-N 1 0 341.411 3.490 20 5 EGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(Cc2nccn2C)CC1 ZINC000441319361 458918313 /nfs/dbraw/zinc/91/83/13/458918313.db2.gz UTDFKSTYIJPPEC-AWEZNQCLSA-N 1 0 328.416 3.344 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000475571825 458953242 /nfs/dbraw/zinc/95/32/42/458953242.db2.gz NMBBBAUDPSSMDQ-OAHLLOKOSA-N 1 0 348.447 3.454 20 5 EGBDRO Cc1c(C[N@@H+]2CCC[C@]2(CO)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000475674274 458958197 /nfs/dbraw/zinc/95/81/97/458958197.db2.gz JSOUGWHOSMIFQZ-HXUWFJFHSA-N 1 0 340.423 3.473 20 5 EGBDRO CCOC(=O)c1cc(N(C)CC[C@@H]2CCCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000467784088 458987261 /nfs/dbraw/zinc/98/72/61/458987261.db2.gz GZKZWUWMKHSIOO-AWEZNQCLSA-N 1 0 349.431 3.082 20 5 EGBDRO O=[N+]([O-])c1ccc2ccnc(N3CCSC4(CCOCC4)C3)c2c1 ZINC000577350808 459019991 /nfs/dbraw/zinc/01/99/91/459019991.db2.gz QMIBXVADOCVFST-UHFFFAOYSA-N 1 0 345.424 3.245 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 ZINC000532198338 459046462 /nfs/dbraw/zinc/04/64/62/459046462.db2.gz RNMJXAHYODBFGE-JYJNAYRXSA-N 1 0 349.475 3.442 20 5 EGBDRO CC[C@H]([NH2+][C@@H]1CC[C@@](O)(C(F)(F)F)C1)c1cccc([N+](=O)[O-])c1 ZINC000589950201 459056323 /nfs/dbraw/zinc/05/63/23/459056323.db2.gz YRNCGYJQEULOGZ-XBFCOCLRSA-N 1 0 332.322 3.481 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1CC[C@@](O)(C(F)(F)F)C1)CCC2 ZINC000589950203 459056343 /nfs/dbraw/zinc/05/63/43/459056343.db2.gz ZCBLCDOFYBSJEN-GLQYFDAESA-N 1 0 344.333 3.408 20 5 EGBDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000477730894 459056822 /nfs/dbraw/zinc/05/68/22/459056822.db2.gz LOERBKPRIMPDET-VBNZEHGJSA-N 1 0 334.416 3.361 20 5 EGBDRO C[C@@H](C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000567207910 459063379 /nfs/dbraw/zinc/06/33/79/459063379.db2.gz UUMJCGLQUSGWGX-CLCXKQKWSA-N 1 0 347.459 3.325 20 5 EGBDRO Cc1ccc(CC[NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)o1 ZINC000532449725 459090272 /nfs/dbraw/zinc/09/02/72/459090272.db2.gz DRRBHBIXTNOQKO-GFCCVEGCSA-N 1 0 331.372 3.046 20 5 EGBDRO CC[C@@H](C)[C@@H]1CCCC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000532586157 459113097 /nfs/dbraw/zinc/11/30/97/459113097.db2.gz UIGIZDJOJUKWQD-PBHICJAKSA-N 1 0 333.432 3.458 20 5 EGBDRO O=C(CC[NH2+]C[C@@H]1CCCC(F)(F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000567707990 459150432 /nfs/dbraw/zinc/15/04/32/459150432.db2.gz GZAIYSWITNAHND-GFCCVEGCSA-N 1 0 341.358 3.339 20 5 EGBDRO Cc1cccc(C[N@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)c1C ZINC000521653548 459171176 /nfs/dbraw/zinc/17/11/76/459171176.db2.gz URAREBYOLVIZIF-SFHVURJKSA-N 1 0 344.411 3.083 20 5 EGBDRO CC(C)c1ccc(C[NH2+][C@@H]2CCC[C@H]([S@@](C)=O)C2)cc1[N+](=O)[O-] ZINC000594961950 459195656 /nfs/dbraw/zinc/19/56/56/459195656.db2.gz BLBJLWYNNQMMHT-HUYGQZFBSA-N 1 0 338.473 3.498 20 5 EGBDRO CCO[C@H]1C[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C12CCCC2 ZINC000590739051 459201340 /nfs/dbraw/zinc/20/13/40/459201340.db2.gz JPPJMBSFQITSST-HOTGVXAUSA-N 1 0 344.415 3.299 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](O)[C@@H](C)c1ccccc1 ZINC000594999505 459210277 /nfs/dbraw/zinc/21/02/77/459210277.db2.gz AJJDUFURVRCNGV-KSSFIOAISA-N 1 0 344.411 3.248 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCOc1ccccc1F ZINC000595002913 459211180 /nfs/dbraw/zinc/21/11/80/459211180.db2.gz BNKYEVJDXCTYQZ-GFCCVEGCSA-N 1 0 334.347 3.472 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCN1Cc2ccccc2C1 ZINC000595008724 459214311 /nfs/dbraw/zinc/21/43/11/459214311.db2.gz RSWYEJOYEOEEHK-AWEZNQCLSA-N 1 0 341.411 3.270 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1ccc2c(c1)COC2 ZINC000595022159 459218090 /nfs/dbraw/zinc/21/80/90/459218090.db2.gz JZVTYWTXSCSDEJ-GFCCVEGCSA-N 1 0 328.368 3.484 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)NCC1(C[NH+](C)C)CCCC1 ZINC000595031429 459222267 /nfs/dbraw/zinc/22/22/67/459222267.db2.gz GOTWXOSJVDELOC-AWEZNQCLSA-N 1 0 335.448 3.376 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CC[C@](O)(C(F)(F)F)C1 ZINC000595037090 459223964 /nfs/dbraw/zinc/22/39/64/459223964.db2.gz BKUVUEGERZBYAE-PKFCDNJMSA-N 1 0 348.321 3.100 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](CO)Cc1ccccc1C ZINC000595039065 459226122 /nfs/dbraw/zinc/22/61/22/459226122.db2.gz BGIMXTOYCIRYPL-HOCLYGCPSA-N 1 0 344.411 3.166 20 5 EGBDRO COc1cc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)cc(OC)c1 ZINC000559071765 459235144 /nfs/dbraw/zinc/23/51/44/459235144.db2.gz HPNVZGVSORANQF-UHFFFAOYSA-N 1 0 330.384 3.287 20 5 EGBDRO CO[C@H](C[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000595095092 459243211 /nfs/dbraw/zinc/24/32/11/459243211.db2.gz PLGLGXGJXMMOSB-SUMWQHHRSA-N 1 0 349.431 3.107 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC(C)(C)[C@H]2CCC[C@H]21 ZINC000559426573 459259189 /nfs/dbraw/zinc/25/91/89/459259189.db2.gz HCBCTSMEECUDSH-DZGCQCFKSA-N 1 0 347.415 3.052 20 5 EGBDRO CC[C@@H](CC(F)F)C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000595290580 459267801 /nfs/dbraw/zinc/26/78/01/459267801.db2.gz MEIMKEYRQNRNGP-ZDUSSCGKSA-N 1 0 327.375 3.398 20 5 EGBDRO CC[C@H](CC(F)F)C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000595290577 459268122 /nfs/dbraw/zinc/26/81/22/459268122.db2.gz MEIMKEYRQNRNGP-CYBMUJFWSA-N 1 0 327.375 3.398 20 5 EGBDRO COC(=O)c1ccc(Cl)c(C[NH2+]CCc2cccc([N+](=O)[O-])c2)c1 ZINC000482236854 459298258 /nfs/dbraw/zinc/29/82/58/459298258.db2.gz IOJYCJNSXFDBST-UHFFFAOYSA-N 1 0 348.786 3.367 20 5 EGBDRO C[C@H](NCc1ccc(F)cc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000595431291 459299838 /nfs/dbraw/zinc/29/98/38/459299838.db2.gz ONMCMNBFDBXBRD-DZGCQCFKSA-N 1 0 335.423 3.477 20 5 EGBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@H](C3CCC3)C2)c([N+](=O)[O-])c1 ZINC000591061663 459301921 /nfs/dbraw/zinc/30/19/21/459301921.db2.gz CKLMSIRQFBCCPC-AWEZNQCLSA-N 1 0 347.415 3.054 20 5 EGBDRO CC(C)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)[C@H](O)C(F)(F)F ZINC000595483144 459318694 /nfs/dbraw/zinc/31/86/94/459318694.db2.gz SMQCMESCCMMXIO-RYUDHWBXSA-N 1 0 340.729 3.286 20 5 EGBDRO CCOCCC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])c(C)c2)[C@@H](C)C1 ZINC000523753231 459329510 /nfs/dbraw/zinc/32/95/10/459329510.db2.gz QIYIUPCPUUQPPZ-DOTOQJQBSA-N 1 0 335.448 3.452 20 5 EGBDRO CC[N@@H+]1CCCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H](C)C1 ZINC000595536127 459336878 /nfs/dbraw/zinc/33/68/78/459336878.db2.gz MRWRZVVSDGHNNX-AWEZNQCLSA-N 1 0 344.415 3.166 20 5 EGBDRO CC[C@@H](C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2)CC(F)(F)F ZINC000591265408 459343349 /nfs/dbraw/zinc/34/33/49/459343349.db2.gz VJCBYBZTQWTJMU-SNVBAGLBSA-N 1 0 348.321 3.434 20 5 EGBDRO Cc1ccc(NC(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000591270350 459344924 /nfs/dbraw/zinc/34/49/24/459344924.db2.gz XOANRSYPEFZFFF-HUUCEWRRSA-N 1 0 346.431 3.147 20 5 EGBDRO C[C@@](CO)(C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000483657340 459379920 /nfs/dbraw/zinc/37/99/20/459379920.db2.gz HQJFECHMVRRVMB-QRGKHIHXSA-N 1 0 340.423 3.439 20 5 EGBDRO COc1ccc(NC(=O)CC[N@H+](CC2CC2)C(C)C)c([N+](=O)[O-])c1 ZINC000560693753 459388065 /nfs/dbraw/zinc/38/80/65/459388065.db2.gz RJJQFSBQJNNVCI-UHFFFAOYSA-N 1 0 335.404 3.052 20 5 EGBDRO Cc1ccccc1O[C@H]1CCCC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000484634336 459422594 /nfs/dbraw/zinc/42/25/94/459422594.db2.gz GTLLVRVVIYEPAF-WMZOPIPTSA-N 1 0 344.415 3.080 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000595791137 459442346 /nfs/dbraw/zinc/44/23/46/459442346.db2.gz ZSLVIZJYODSNAI-WMLDXEAASA-N 1 0 334.416 3.385 20 5 EGBDRO CC(C)(C)[C@@H]1CC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000541388848 459452946 /nfs/dbraw/zinc/45/29/46/459452946.db2.gz DDDXGTBTVNBWSV-CJNGLKHVSA-N 1 0 331.416 3.068 20 5 EGBDRO C[C@@H](C(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000561536149 459461749 /nfs/dbraw/zinc/46/17/49/459461749.db2.gz WYSYBFYBTZJSLA-LSDHHAIUSA-N 1 0 345.443 3.031 20 5 EGBDRO O=C(c1cccc2c1C[NH2+]C2)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000595931609 459489186 /nfs/dbraw/zinc/48/91/86/459489186.db2.gz IAAHHJRQOLDNDT-UHFFFAOYSA-N 1 0 337.379 3.003 20 5 EGBDRO C[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1CCC[NH3+] ZINC000595972580 459489711 /nfs/dbraw/zinc/48/97/11/459489711.db2.gz DQHWKAWFSVIERU-BXUZGUMPSA-N 1 0 339.823 3.228 20 5 EGBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CCCSC1 ZINC000562046903 459506612 /nfs/dbraw/zinc/50/66/12/459506612.db2.gz ZYFDJEXGJMQDGD-QWHCGFSZSA-N 1 0 337.445 3.045 20 5 EGBDRO O=[N+]([O-])c1cncc(Cl)c1NCc1cccc(C[NH+]2CCCC2)c1 ZINC000596075274 459510057 /nfs/dbraw/zinc/51/00/57/459510057.db2.gz KWFVNUUONYIYJD-UHFFFAOYSA-N 1 0 346.818 3.273 20 5 EGBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(c2c(Cl)cncc2[N+](=O)[O-])C1 ZINC000596081649 459512772 /nfs/dbraw/zinc/51/27/72/459512772.db2.gz IRGMFIMFHCFZGW-FRRDWIJNSA-N 1 0 338.839 3.485 20 5 EGBDRO Cc1ccc([C@H](CNc2cc[nH]c(=O)c2[N+](=O)[O-])[NH+]2CCCC2)cc1 ZINC000596098019 459519740 /nfs/dbraw/zinc/51/97/40/459519740.db2.gz PXXYUDJVCCNQKS-INIZCTEOSA-N 1 0 342.399 3.253 20 5 EGBDRO Cc1c(C[N@H+]2C[C@@H](c3cnn(C)c3)C(C)(C)C2)cccc1[N+](=O)[O-] ZINC000569890915 459524464 /nfs/dbraw/zinc/52/44/64/459524464.db2.gz GBCWELRONTWCNO-INIZCTEOSA-N 1 0 328.416 3.262 20 5 EGBDRO Cc1cc(NCC2([C@@H](C)CCO)CCC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000542119498 459527310 /nfs/dbraw/zinc/52/73/10/459527310.db2.gz FMHTZOMHSQDEBX-ZDUSSCGKSA-N 1 0 343.427 3.474 20 5 EGBDRO CS[C@@H]1CCC[C@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000569921461 459531385 /nfs/dbraw/zinc/53/13/85/459531385.db2.gz UAFWWPROSUWNQA-QWHCGFSZSA-N 1 0 337.445 3.187 20 5 EGBDRO Cc1ccccc1C1([NH2+]CC(=O)Nc2c(C)cccc2[N+](=O)[O-])CC1 ZINC000592139967 459534568 /nfs/dbraw/zinc/53/45/68/459534568.db2.gz QCOIWRWMHRDBLZ-UHFFFAOYSA-N 1 0 339.395 3.429 20 5 EGBDRO COc1ccc(NC(=O)[C@@H](C)[N@H+](C)CCC(C)(C)C)c([N+](=O)[O-])c1 ZINC000592144666 459535457 /nfs/dbraw/zinc/53/54/57/459535457.db2.gz HJDAPXALWAVPJF-GFCCVEGCSA-N 1 0 337.420 3.298 20 5 EGBDRO COC1CC[NH+](CCNc2ccc(C(F)F)cc2[N+](=O)[O-])CC1 ZINC000596158311 459542903 /nfs/dbraw/zinc/54/29/03/459542903.db2.gz CEBUVLOTZICVSA-UHFFFAOYSA-N 1 0 329.347 3.055 20 5 EGBDRO O=[N+]([O-])c1cncc(Cl)c1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000596170699 459546925 /nfs/dbraw/zinc/54/69/25/459546925.db2.gz VUBKRZDSXVYZTM-FZMZJTMJSA-N 1 0 336.823 3.096 20 5 EGBDRO CC(C)[N@H+](C)CCCNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000497746217 459555483 /nfs/dbraw/zinc/55/54/83/459555483.db2.gz QGYHXQBVMWTLTC-UHFFFAOYSA-N 1 0 335.448 3.352 20 5 EGBDRO C[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000592272769 459565495 /nfs/dbraw/zinc/56/54/95/459565495.db2.gz GBIDJEVPOUXVAF-SJCJKPOMSA-N 1 0 341.367 3.324 20 5 EGBDRO CC[C@@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)C(=O)NCc1cccs1 ZINC000592375655 459584253 /nfs/dbraw/zinc/58/42/53/459584253.db2.gz YKKNPHBQYBYJNX-OAHLLOKOSA-N 1 0 347.440 3.149 20 5 EGBDRO Cc1cc(C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000498374158 459586593 /nfs/dbraw/zinc/58/65/93/459586593.db2.gz PXXZVOAYBPFUQH-QGZVFWFLSA-N 1 0 333.432 3.144 20 5 EGBDRO CC(C)(C)[N@@H+]1CC[C@H](Nc2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000596336590 459600198 /nfs/dbraw/zinc/60/01/98/459600198.db2.gz QHXPGXKHULRTOK-JTQLQIEISA-N 1 0 343.225 3.037 20 5 EGBDRO COC(=O)COc1ccc(C[N@H+](C)CCC(C)(C)C)cc1[N+](=O)[O-] ZINC000592523639 459624453 /nfs/dbraw/zinc/62/44/53/459624453.db2.gz PKEGVVPEPANYPD-UHFFFAOYSA-N 1 0 338.404 3.015 20 5 EGBDRO CC[C@@H]1CN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000592544676 459629020 /nfs/dbraw/zinc/62/90/20/459629020.db2.gz GKKRYUYMJPEHCC-IUODEOHRSA-N 1 0 333.432 3.092 20 5 EGBDRO Cc1cc(N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)ncc1[N+](=O)[O-] ZINC000499641269 459642817 /nfs/dbraw/zinc/64/28/17/459642817.db2.gz AZJURUPJHAIUBP-HZPDHXFCSA-N 1 0 340.427 3.397 20 5 EGBDRO C[C@H](C[NH+]1CCC(C)CC1)Nc1ncnc2sc([N+](=O)[O-])cc21 ZINC000596487321 459654375 /nfs/dbraw/zinc/65/43/75/459654375.db2.gz GMDXYVARKKWDGJ-LLVKDONJSA-N 1 0 335.433 3.132 20 5 EGBDRO Cc1nnc(CN(C)c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)s1 ZINC000596557347 459675783 /nfs/dbraw/zinc/67/57/83/459675783.db2.gz PRQRGLSLDOYWLR-UHFFFAOYSA-N 1 0 329.385 3.248 20 5 EGBDRO Cc1cc(NCC2(CCO)CCCC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000543975635 459715425 /nfs/dbraw/zinc/71/54/25/459715425.db2.gz ZWKSGUWVVFJGEH-UHFFFAOYSA-N 1 0 329.400 3.228 20 5 EGBDRO Cc1cc(N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000584537196 459764904 /nfs/dbraw/zinc/76/49/04/459764904.db2.gz PGJBGOLSOXKWDA-CHWSQXEVSA-N 1 0 326.400 3.489 20 5 EGBDRO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccc2[nH]c(=O)oc2c1 ZINC000586790841 459873890 /nfs/dbraw/zinc/87/38/90/459873890.db2.gz MECDLVMQSWRWCV-LLVKDONJSA-N 1 0 343.339 3.171 20 5 EGBDRO Cc1cc(NC(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000546035910 459891033 /nfs/dbraw/zinc/89/10/33/459891033.db2.gz LQZCZBDDWUNEBW-UHFFFAOYSA-N 1 0 348.447 3.487 20 5 EGBDRO CN(c1ccccc1)c1ccc(C[NH2+][C@H](CO)CCF)cc1[N+](=O)[O-] ZINC000593687476 459950744 /nfs/dbraw/zinc/95/07/44/459950744.db2.gz CWUWEKHWMCAEGB-HNNXBMFYSA-N 1 0 347.390 3.173 20 5 EGBDRO C[N@@H+](Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C[C@H]1CCC[C@H]1O ZINC000602485383 459963668 /nfs/dbraw/zinc/96/36/68/459963668.db2.gz ONURUHGFCLKSPY-BXUZGUMPSA-N 1 0 332.322 3.206 20 5 EGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]CCOCC(F)(F)F ZINC000602506994 459973513 /nfs/dbraw/zinc/97/35/13/459973513.db2.gz MNUPBPGXFXYUFT-UHFFFAOYSA-N 1 0 346.227 3.282 20 5 EGBDRO Cc1ccc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)s1 ZINC000602515639 459977883 /nfs/dbraw/zinc/97/78/83/459977883.db2.gz AQESRZJRURISQN-UHFFFAOYSA-N 1 0 332.429 3.118 20 5 EGBDRO O=[N+]([O-])c1sc(C[NH2+]C[C@@H]2CCCCO2)cc1Br ZINC000602522439 459981904 /nfs/dbraw/zinc/98/19/04/459981904.db2.gz UOFYSGNIZLPPBG-QMMMGPOBSA-N 1 0 335.223 3.078 20 5 EGBDRO C[C@H](CNCc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000602543016 459990424 /nfs/dbraw/zinc/99/04/24/459990424.db2.gz DPZKEZKULPHSSY-SNVBAGLBSA-N 1 0 331.338 3.186 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[NH+](C2CCC2)CC1 ZINC000609600845 459991818 /nfs/dbraw/zinc/99/18/18/459991818.db2.gz OTVNMXKOPFUBGJ-UHFFFAOYSA-N 1 0 333.432 3.052 20 5 EGBDRO COc1ccc(-c2ccc(C[NH2+][C@@H](C)C(C)(C)O)o2)c([N+](=O)[O-])c1 ZINC000609707983 460009451 /nfs/dbraw/zinc/00/94/51/460009451.db2.gz TVSMHGWDHHUIRO-NSHDSACASA-N 1 0 334.372 3.112 20 5 EGBDRO CN(C)[C@H](C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)c1cccs1 ZINC000602586212 460010530 /nfs/dbraw/zinc/01/05/30/460010530.db2.gz KVVNXBBKZWEBGE-CYBMUJFWSA-N 1 0 346.412 3.190 20 5 EGBDRO CC(C)c1ccc(C(=O)N2CCC[C@@H](C)[C@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC000593916292 460017353 /nfs/dbraw/zinc/01/73/53/460017353.db2.gz PKRJHGXHMACWHP-CZUORRHYSA-N 1 0 333.432 3.308 20 5 EGBDRO O=[N+]([O-])c1sc(C[NH2+]CC2(CO)CCCC2)cc1Br ZINC000602619375 460025463 /nfs/dbraw/zinc/02/54/63/460025463.db2.gz NADPJOZVXAXWKY-UHFFFAOYSA-N 1 0 349.250 3.061 20 5 EGBDRO CC(C)(C[C@@H]1CCC[N@@H+]([C@H]2CCc3c2cccc3[N+](=O)[O-])C1)C(N)=O ZINC000575880989 460025493 /nfs/dbraw/zinc/02/54/93/460025493.db2.gz CROPYKZBHMHTGI-BBRMVZONSA-N 1 0 345.443 3.196 20 5 EGBDRO CSCCCCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602621057 460025792 /nfs/dbraw/zinc/02/57/92/460025792.db2.gz PBYVOWZHCJMZCD-UHFFFAOYSA-N 1 0 338.477 3.082 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@]2(CO)C[C@H]2c2ccc(F)cc2)cc1 ZINC000602640741 460036878 /nfs/dbraw/zinc/03/68/78/460036878.db2.gz ZMBOTDYYBXOYNQ-OALUTQOASA-N 1 0 344.386 3.032 20 5 EGBDRO O=[N+]([O-])c1sc(C[NH2+]CCOC(F)(F)F)cc1Br ZINC000602645008 460040547 /nfs/dbraw/zinc/04/05/47/460040547.db2.gz NQCFMCOYURSEHI-UHFFFAOYSA-N 1 0 349.128 3.045 20 5 EGBDRO Cc1cccnc1CCC[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602674133 460058155 /nfs/dbraw/zinc/05/81/55/460058155.db2.gz FEHNOTUXDULDHC-UHFFFAOYSA-N 1 0 326.356 3.162 20 5 EGBDRO CO[C@H](C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1ccccc1 ZINC000602675999 460059396 /nfs/dbraw/zinc/05/93/96/460059396.db2.gz YKEQXIUUSZGRAL-HNNXBMFYSA-N 1 0 341.367 3.083 20 5 EGBDRO CC(C)CSCC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000618572310 460067429 /nfs/dbraw/zinc/06/74/29/460067429.db2.gz SFSNTCAUHZLIDD-KBPBESRZSA-N 1 0 326.466 3.254 20 5 EGBDRO C[C@@H]1CC[C@H](C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)O1 ZINC000602691670 460068235 /nfs/dbraw/zinc/06/82/35/460068235.db2.gz ZGLMQCDFNNHCAE-HTQZYQBOSA-N 1 0 335.223 3.076 20 5 EGBDRO COCC1([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CCCC1 ZINC000602706523 460076448 /nfs/dbraw/zinc/07/64/48/460076448.db2.gz PKKVUAQBSUZXCB-UHFFFAOYSA-N 1 0 349.250 3.468 20 5 EGBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000597854309 460080526 /nfs/dbraw/zinc/08/05/26/460080526.db2.gz FZNQTAXCGPENFF-NSHDSACASA-N 1 0 339.823 3.098 20 5 EGBDRO CCOC(=O)C1CCC([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000602750847 460103943 /nfs/dbraw/zinc/10/39/43/460103943.db2.gz FJCCDAKUHFPVJE-FNORWQNLSA-N 1 0 332.400 3.320 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+]C1(c2ccc(F)cc2)CCCC1 ZINC000602792260 460127947 /nfs/dbraw/zinc/12/79/47/460127947.db2.gz NDGGWTIRLBPZMK-UHFFFAOYSA-N 1 0 332.379 3.298 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](C)c1ccc(OC(C)C)cc1 ZINC000602801268 460132946 /nfs/dbraw/zinc/13/29/46/460132946.db2.gz MPXJFEFUTAOEIZ-CYBMUJFWSA-N 1 0 332.404 3.238 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCCN1CC(F)F)CCC2 ZINC000599066599 460148550 /nfs/dbraw/zinc/14/85/50/460148550.db2.gz SVIIGRPLUQATDX-GOEBONIOSA-N 1 0 339.386 3.291 20 5 EGBDRO CCc1ccc([C@H]2CC[N@H+](CCn3c(C)ncc3[N+](=O)[O-])C2)cc1 ZINC000602839432 460154165 /nfs/dbraw/zinc/15/41/65/460154165.db2.gz JBDAGRDBLNCLIS-KRWDZBQOSA-N 1 0 328.416 3.152 20 5 EGBDRO COc1ccc([C@H]2CCC[N@@H+]2CCn2c(C)ncc2[N+](=O)[O-])cc1F ZINC000602886788 460171084 /nfs/dbraw/zinc/17/10/84/460171084.db2.gz FHQKEKDCYZKNGW-OAHLLOKOSA-N 1 0 348.378 3.085 20 5 EGBDRO C[C@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)CC[C@H]1C(=O)OC(C)(C)C ZINC000599589378 460282655 /nfs/dbraw/zinc/28/26/55/460282655.db2.gz SAUWXWCWCNCZIF-WMLDXEAASA-N 1 0 348.443 3.437 20 5 EGBDRO CC[NH+](CC)Cc1ccc(C(=O)NCCc2cccc([N+](=O)[O-])c2)o1 ZINC000611162533 460298934 /nfs/dbraw/zinc/29/89/34/460298934.db2.gz ZTVAVKKXKWVEHQ-UHFFFAOYSA-N 1 0 345.399 3.002 20 5 EGBDRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)c3ncccc3[N+](=O)[O-])C2)s1 ZINC000603404335 460298938 /nfs/dbraw/zinc/29/89/38/460298938.db2.gz ZDYNAFOVRFJRBA-CQSZACIVSA-N 1 0 346.456 3.318 20 5 EGBDRO CN(CCCC[NH+]1CCCCC1)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000603426601 460302906 /nfs/dbraw/zinc/30/29/06/460302906.db2.gz BJJNTLCDTAIENZ-UHFFFAOYSA-N 1 0 348.447 3.002 20 5 EGBDRO CC(C)(C)Oc1cc(N2CC[NH+](C3CCC3)CC2)ccc1[N+](=O)[O-] ZINC000611203900 460306688 /nfs/dbraw/zinc/30/66/88/460306688.db2.gz QQGUARCVAHCQLI-UHFFFAOYSA-N 1 0 333.432 3.447 20 5 EGBDRO C[N@H+](CCc1cccs1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611274224 460325269 /nfs/dbraw/zinc/32/52/69/460325269.db2.gz UKQKDGSUGYZFRW-UHFFFAOYSA-N 1 0 334.397 3.102 20 5 EGBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)c1 ZINC000611350470 460343337 /nfs/dbraw/zinc/34/33/37/460343337.db2.gz NMLMXFBJMBKJQU-CVEARBPZSA-N 1 0 334.416 3.112 20 5 EGBDRO C[NH+](C)C1(CNc2ccc3cc([N+](=O)[O-])ccc3n2)CCCCC1 ZINC000603837297 460346141 /nfs/dbraw/zinc/34/61/41/460346141.db2.gz FBTMMTOQJDZNSM-UHFFFAOYSA-N 1 0 328.416 3.241 20 5 EGBDRO COc1cc(N2CCC[C@@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)ccc1[N+](=O)[O-] ZINC000611370330 460346707 /nfs/dbraw/zinc/34/67/07/460346707.db2.gz CCGZOIZECGOHGZ-IJEWVQPXSA-N 1 0 333.432 3.445 20 5 EGBDRO CC[C@@H]([NH2+]CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C1CCCCC1 ZINC000611433524 460364492 /nfs/dbraw/zinc/36/44/92/460364492.db2.gz DUBQKKAYHBWIIO-OAHLLOKOSA-N 1 0 349.431 3.490 20 5 EGBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](C)c1ccccn1 ZINC000611469200 460371271 /nfs/dbraw/zinc/37/12/71/460371271.db2.gz VIEZEKIZKRBLOD-STQMWFEESA-N 1 0 328.372 3.058 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000611515186 460384077 /nfs/dbraw/zinc/38/40/77/460384077.db2.gz HHJYRMVHMWDSMJ-FUHWJXTLSA-N 1 0 347.459 3.151 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3ccc4[nH]ccc4c3)C2)nc1 ZINC000600116156 460390030 /nfs/dbraw/zinc/39/00/30/460390030.db2.gz LGAMVFVRDGGOBV-HNNXBMFYSA-N 1 0 337.383 3.158 20 5 EGBDRO COc1ccc(-c2ccc(C[N@H+](C)CC3(C)COC3)o2)c([N+](=O)[O-])c1 ZINC000600190889 460429869 /nfs/dbraw/zinc/42/98/69/460429869.db2.gz NXWGNGILTILNLB-UHFFFAOYSA-N 1 0 346.383 3.332 20 5 EGBDRO CC(C)c1ccc(C[NH2+]CCC(=O)Nc2ccccn2)cc1[N+](=O)[O-] ZINC000604532655 460442005 /nfs/dbraw/zinc/44/20/05/460442005.db2.gz KOYSNCOPVUPRSW-UHFFFAOYSA-N 1 0 342.399 3.232 20 5 EGBDRO CC(C)(C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccccc1 ZINC000604532169 460442042 /nfs/dbraw/zinc/44/20/42/460442042.db2.gz DFVUBASZZFVZIS-UHFFFAOYSA-N 1 0 342.395 3.433 20 5 EGBDRO C[C@@H]1C[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)[C@H]2CCCC[C@@H]12 ZINC000611983690 460501131 /nfs/dbraw/zinc/50/11/31/460501131.db2.gz AGWNVXIWHRTSRW-SNPRPXQTSA-N 1 0 332.400 3.377 20 5 EGBDRO COc1ccc2c(c1)CC[C@H]2[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000601267309 460769830 /nfs/dbraw/zinc/76/98/30/460769830.db2.gz JJVVASCXRPTZOZ-QGZVFWFLSA-N 1 0 328.368 3.389 20 5 EGBDRO COc1cc(C[N@@H+]2CCc3ccc(O)cc3CC2)c([N+](=O)[O-])cc1F ZINC000613381653 460929014 /nfs/dbraw/zinc/92/90/14/460929014.db2.gz MLYPQFZEPQZECV-UHFFFAOYSA-N 1 0 346.358 3.049 20 5 EGBDRO CC(C)(CNc1ncnc2ccc([N+](=O)[O-])cc21)C[NH+]1CCCC1 ZINC000616404019 469440588 /nfs/dbraw/zinc/44/05/88/469440588.db2.gz UMDRAKQRBRFMCA-UHFFFAOYSA-N 1 0 329.404 3.072 20 5 EGBDRO C[C@@H](CNc1ncnc2cccc([N+](=O)[O-])c21)[N@@H+]1CCC[C@@H](C)C1 ZINC000612438467 469466102 /nfs/dbraw/zinc/46/61/02/469466102.db2.gz YNEPSWSBNSJAAZ-OLZOCXBDSA-N 1 0 329.404 3.070 20 5 EGBDRO CC(C)c1cc(NCCOc2ccc([N+](=O)[O-])cc2)nc(N(C)C)[nH+]1 ZINC000610277827 469999299 /nfs/dbraw/zinc/99/92/99/469999299.db2.gz VRGGEHSEHCJKDM-UHFFFAOYSA-N 1 0 345.403 3.065 20 5 EGBDRO C[C@@H](O)C[C@H]1CCC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000153222270 533765961 /nfs/dbraw/zinc/76/59/61/533765961.db2.gz MWECNIAAPQCFFG-UKRRQHHQSA-N 1 0 345.399 3.028 20 5 EGBDRO C[C@H]([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1CCOCC1 ZINC000179871372 533939896 /nfs/dbraw/zinc/93/98/96/533939896.db2.gz OEWBNEZRKOUDSC-LBPRGKRZSA-N 1 0 331.372 3.155 20 5 EGBDRO Cc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000179738052 533941076 /nfs/dbraw/zinc/94/10/76/533941076.db2.gz PEQHTFFVIORWOU-HNNXBMFYSA-N 1 0 349.431 3.250 20 5 EGBDRO CCC[C@@H]([NH2+]CCCN1CCCCC1=O)c1cccc([N+](=O)[O-])c1 ZINC000361215707 517598180 /nfs/dbraw/zinc/59/81/80/517598180.db2.gz JQBJQJHDSWZXAW-QGZVFWFLSA-N 1 0 333.432 3.428 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000153619586 534322154 /nfs/dbraw/zinc/32/21/54/534322154.db2.gz WFXSTYAWEUTCDF-HOCLYGCPSA-N 1 0 346.431 3.160 20 5 EGBDRO [NH3+][C@@H](CC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccccc1 ZINC000423722110 518197676 /nfs/dbraw/zinc/19/76/76/518197676.db2.gz JVFLDQOIJHDMKI-SFHVURJKSA-N 1 0 339.395 3.176 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@H](O)c1ccccc1F)C1CC1 ZINC000130309740 534887941 /nfs/dbraw/zinc/88/79/41/534887941.db2.gz PCICEOFJIAGHJG-MJGOQNOKSA-N 1 0 344.386 3.378 20 5 EGBDRO CC(C)c1ccc(C[NH+]2CCC(CC(=O)N(C)C)CC2)cc1[N+](=O)[O-] ZINC000180333248 528092285 /nfs/dbraw/zinc/09/22/85/528092285.db2.gz GWLDTGZBHRHYLM-UHFFFAOYSA-N 1 0 347.459 3.409 20 5 EGBDRO CC[NH+](CC)Cc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2N)c1 ZINC000178162861 528197470 /nfs/dbraw/zinc/19/74/70/528197470.db2.gz PWBRBQSWHMABDQ-UHFFFAOYSA-N 1 0 342.399 3.271 20 5 EGBDRO CC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)[C@H](O)c1c(F)cccc1F ZINC000266274043 535806224 /nfs/dbraw/zinc/80/62/24/535806224.db2.gz CPIBKNIJZMBNCA-WBVHZDCISA-N 1 0 336.338 3.475 20 5 EGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@H](O)c2ccc(F)cc2F)c1 ZINC000731448616 575073616 /nfs/dbraw/zinc/07/36/16/575073616.db2.gz GYWANIIWCREHGX-HNNXBMFYSA-N 1 0 342.729 3.350 20 5 EGBDRO CCc1cccc(NC(=O)C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])c1 ZINC000732230717 575247060 /nfs/dbraw/zinc/24/70/60/575247060.db2.gz OLZNJXQUHQPACF-TWGQIWQCSA-N 1 0 339.395 3.399 20 5 EGBDRO COc1ccc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000742369652 576774437 /nfs/dbraw/zinc/77/44/37/576774437.db2.gz BRMICFWFROQLLP-HNNXBMFYSA-N 1 0 336.775 3.080 20 5 EGBDRO CN(CC[N@H+](C)C1CCCCC1)C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000743990248 576818691 /nfs/dbraw/zinc/81/86/91/576818691.db2.gz FYOLSDREDKBMNE-RAXLEYEMSA-N 1 0 345.443 3.331 20 5 EGBDRO CCCCO[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1(C)C ZINC000829677995 1292600481 /nfs/dbraw/zinc/60/04/81/1292600481.db2.gz VMWONYJUNRSRQS-GVDBMIGSSA-N 1 0 336.432 3.202 20 5 EGBDRO C[C@H]([NH2+]CCC(=O)OCc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000830167402 1292678785 /nfs/dbraw/zinc/67/87/85/1292678785.db2.gz LSAMIIGNPCVCOO-AWEZNQCLSA-N 1 0 328.368 3.379 20 5 EGBDRO CCCN(C(=O)Nc1cccc([N+](=O)[O-])c1Cl)[C@@H]1CC[N@H+](C)C1 ZINC000831786438 1292919083 /nfs/dbraw/zinc/91/90/83/1292919083.db2.gz CMFHKMBOWCTMKV-LLVKDONJSA-N 1 0 340.811 3.196 20 5 EGBDRO C[N@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)[C@@H](CO)C(C)(C)C ZINC000093821897 1292933055 /nfs/dbraw/zinc/93/30/55/1292933055.db2.gz QJGWHVCYNIFIKS-ZDUSSCGKSA-N 1 0 345.237 3.196 20 5 EGBDRO Cc1cccc(C(=O)O[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000110119654 1293094533 /nfs/dbraw/zinc/09/45/33/1293094533.db2.gz FSRTXQIOJKZUNL-MRXNPFEDSA-N 1 0 340.379 3.335 20 5 EGBDRO Cc1ccc(C[C@@H](CO)[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1C ZINC000834912675 1293175452 /nfs/dbraw/zinc/17/54/52/1293175452.db2.gz SXVMGZIGWFKRJV-YOEHRIQHSA-N 1 0 343.427 3.048 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2ncn(C[N@@H+]3CC[C@@H](c4ccccc4)C3)n2)c1 ZINC000120244891 1293312223 /nfs/dbraw/zinc/31/22/23/1293312223.db2.gz QWEAKTFKAXSERX-QGZVFWFLSA-N 1 0 349.394 3.300 20 5 EGBDRO C[C@]1(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCCS1 ZINC000120505578 1293323571 /nfs/dbraw/zinc/32/35/71/1293323571.db2.gz ARBYDCNJVCVKHG-QGZVFWFLSA-N 1 0 335.473 3.439 20 5 EGBDRO Cc1cc(F)cc(C(=O)NCCC[NH+]2CCCCCC2)c1[N+](=O)[O-] ZINC000121484824 1293373821 /nfs/dbraw/zinc/37/38/21/1293373821.db2.gz DSUOCFVUKNGXMG-UHFFFAOYSA-N 1 0 337.395 3.038 20 5 EGBDRO C[C@@H]([NH2+]CC(=O)NC1CCCCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000180441801 1294888596 /nfs/dbraw/zinc/88/85/96/1294888596.db2.gz BFQHYJMKYDBKAD-CQSZACIVSA-N 1 0 333.432 3.475 20 5 EGBDRO C[NH+](C)[C@H](CNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000210295519 1296101274 /nfs/dbraw/zinc/10/12/74/1296101274.db2.gz GDAJGNUKHDWWCO-ADYSOMBNSA-N 1 0 339.395 3.027 20 5 EGBDRO Cc1cnn(-c2ccncc2NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)c1 ZINC000255086969 1296497873 /nfs/dbraw/zinc/49/78/73/1296497873.db2.gz NDNDTGZWUYANCM-DAXSKMNVSA-N 1 0 349.350 3.136 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)[C@H](CO)SC ZINC000872038456 1296689849 /nfs/dbraw/zinc/68/98/49/1296689849.db2.gz NUZMVSNHMUREPW-BHDSKKPTSA-N 1 0 330.475 3.080 20 5 EGBDRO CO[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2Br)C1(C)C ZINC000300638139 1296782713 /nfs/dbraw/zinc/78/27/13/1296782713.db2.gz MFMLUNXEKKFNGL-NEPJUHHUSA-N 1 0 343.221 3.260 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]Cc1ccnc(N2CCCC2)c1 ZINC000873009786 1297220183 /nfs/dbraw/zinc/22/01/83/1297220183.db2.gz AGYTYWVNPKSKDW-UHFFFAOYSA-N 1 0 340.427 3.497 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H]1CCN(CC(F)(F)F)C1 ZINC000873014383 1297223466 /nfs/dbraw/zinc/22/34/66/1297223466.db2.gz PQQSBFNXOYYKQK-ZDUSSCGKSA-N 1 0 345.365 3.185 20 5 EGBDRO Cc1c(CNc2cccc(C[N@@H+]3CC[C@@H](O)C3)c2)cccc1[N+](=O)[O-] ZINC000873127716 1297284175 /nfs/dbraw/zinc/28/41/75/1297284175.db2.gz UIOCDWXSSJFDQT-GOSISDBHSA-N 1 0 341.411 3.082 20 5 EGBDRO CC(C)CC[C@H]([NH3+])C(=O)Nc1ccc([N+](=O)[O-])c(Br)c1 ZINC000707715135 1298230964 /nfs/dbraw/zinc/23/09/64/1298230964.db2.gz LFEXJZYHEYZLPI-NSHDSACASA-N 1 0 344.209 3.059 20 5 EGBDRO CC(C)[C@@H](C(=O)OCc1cc(Cl)ccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000746076831 1298526810 /nfs/dbraw/zinc/52/68/10/1298526810.db2.gz RCORFSGSVCRESY-HNNXBMFYSA-N 1 0 340.807 3.412 20 5 EGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]C[C@H](O)c1ccco1 ZINC000876916974 1299065354 /nfs/dbraw/zinc/06/53/54/1299065354.db2.gz KNKQMDVEBOXJSQ-LBPRGKRZSA-N 1 0 330.262 3.030 20 5 EGBDRO Cc1ccc([C@@H](O)C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])o1 ZINC000877059098 1299137406 /nfs/dbraw/zinc/13/74/06/1299137406.db2.gz JMUYYUFGAAWHJD-ZDUSSCGKSA-N 1 0 344.289 3.338 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]Cc2nc3ccccc3s2)c1 ZINC000749640755 1299250887 /nfs/dbraw/zinc/25/08/87/1299250887.db2.gz VAZRCQCVGXRURY-CQSZACIVSA-N 1 0 329.381 3.028 20 5 EGBDRO C[C@@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)COCc1ccccc1 ZINC000749684291 1299255327 /nfs/dbraw/zinc/25/53/27/1299255327.db2.gz AVMQOTSXDTTYOT-KXBFYZLASA-N 1 0 344.411 3.071 20 5 EGBDRO CCS[C@H]1CC[C@H]([N@H+](C)Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1 ZINC000749962533 1299315484 /nfs/dbraw/zinc/31/54/84/1299315484.db2.gz XNJIUENSTLUARV-JSGCOSHPSA-N 1 0 349.460 3.211 20 5 EGBDRO CCC[C@@H]1CCC[N@H+](CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)C1 ZINC000752792212 1299796181 /nfs/dbraw/zinc/79/61/81/1299796181.db2.gz KDYMTIMNDNQHBK-OAHLLOKOSA-N 1 0 346.431 3.306 20 5 EGBDRO CS[C@H]1CCCC[N@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000878285753 1299890436 /nfs/dbraw/zinc/89/04/36/1299890436.db2.gz BPCMGZZYYOKAHB-LBPRGKRZSA-N 1 0 348.428 3.362 20 5 EGBDRO C[C@H]1C[C@H](CC[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCO1 ZINC000753587051 1299982484 /nfs/dbraw/zinc/98/24/84/1299982484.db2.gz NOLJSFHOGFCCMU-JKSUJKDBSA-N 1 0 347.459 3.358 20 5 EGBDRO CC1(C)CC[N@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)CCS1 ZINC000878527265 1300052853 /nfs/dbraw/zinc/05/28/53/1300052853.db2.gz BJOPINHBGYDDFO-UHFFFAOYSA-N 1 0 348.428 3.362 20 5 EGBDRO Cc1ccc(C[N@H+]2C[C@@H](c3cnn(C)c3)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000878658263 1300130867 /nfs/dbraw/zinc/13/08/67/1300130867.db2.gz XAIPHNPSBKBJSQ-INIZCTEOSA-N 1 0 328.416 3.262 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000879529098 1300584677 /nfs/dbraw/zinc/58/46/77/1300584677.db2.gz IRRRVZAEUZTUGN-GASCZTMLSA-N 1 0 329.400 3.130 20 5 EGBDRO C[C@@H]1CC[N@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)CC1(C)C ZINC000758998188 1300996114 /nfs/dbraw/zinc/99/61/14/1300996114.db2.gz AFMWQKOXSPUBCG-CYBMUJFWSA-N 1 0 329.404 3.179 20 5 EGBDRO CC(C)[C@H](CNCc1ccc([N+](=O)[O-])c(Cl)c1)[NH+]1CCCC1 ZINC000761521239 1301489672 /nfs/dbraw/zinc/48/96/72/1301489672.db2.gz KWAKYZJPVPTWCU-INIZCTEOSA-N 1 0 325.840 3.458 20 5 EGBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761521689 1301490175 /nfs/dbraw/zinc/49/01/75/1301490175.db2.gz KAMKFENAXQNDRE-CHWSQXEVSA-N 1 0 325.840 3.458 20 5 EGBDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2ccnc(F)c2[N+](=O)[O-])C1 ZINC000881983011 1301772402 /nfs/dbraw/zinc/77/24/02/1301772402.db2.gz PKYGIUOCIQDYJV-UONOGXRCSA-N 1 0 336.411 3.220 20 5 EGBDRO CCO[C@H]1C[C@@H]([N@H+](C)Cn2ncc3ccc([N+](=O)[O-])cc32)C12CCC2 ZINC000763236625 1301853726 /nfs/dbraw/zinc/85/37/26/1301853726.db2.gz RIDDVUKXOFNLHE-SJORKVTESA-N 1 0 344.415 3.182 20 5 EGBDRO CCO[C@H]1C[C@@H]([N@H+](C)Cn2ncc3cc([N+](=O)[O-])ccc32)C12CCC2 ZINC000763232909 1301854529 /nfs/dbraw/zinc/85/45/29/1301854529.db2.gz WJVAFIFYAFWLNN-SJORKVTESA-N 1 0 344.415 3.182 20 5 EGBDRO Cc1ccc(CC[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)o1 ZINC000764919697 1302165466 /nfs/dbraw/zinc/16/54/66/1302165466.db2.gz KPPFCOYKBXVTHB-UHFFFAOYSA-N 1 0 329.400 3.297 20 5 EGBDRO C[C@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)N1CCCCC1 ZINC000765254627 1302230546 /nfs/dbraw/zinc/23/05/46/1302230546.db2.gz ZPAIGMLDPCFAAS-MRXNPFEDSA-N 1 0 346.475 3.028 20 5 EGBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000765492121 1302273336 /nfs/dbraw/zinc/27/33/36/1302273336.db2.gz SXTXFHMHGRQYGA-ZDUSSCGKSA-N 1 0 339.823 3.243 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@H]2CCCC23OCCO3)o1 ZINC000883179331 1302288979 /nfs/dbraw/zinc/28/89/79/1302288979.db2.gz URQGCEOYGLFUAE-KRWDZBQOSA-N 1 0 344.367 3.240 20 5 EGBDRO CCC[C@H]([NH2+][C@H]1CCCN(C(=O)OC)C1)c1cccc([N+](=O)[O-])c1 ZINC000765628753 1302292617 /nfs/dbraw/zinc/29/26/17/1302292617.db2.gz FCONHKUJZBLLTB-HOCLYGCPSA-N 1 0 335.404 3.256 20 5 EGBDRO Cc1c([C@@H](C)[NH2+]C2CN(C(=O)OC(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000766527911 1302469362 /nfs/dbraw/zinc/46/93/62/1302469362.db2.gz ZXGVKWUTLAARIO-GFCCVEGCSA-N 1 0 335.404 3.173 20 5 EGBDRO COc1cc(NCC[N@@H+]2CCCC(C)(C)C2)c([N+](=O)[O-])cc1OC ZINC000767443395 1302679316 /nfs/dbraw/zinc/67/93/16/1302679316.db2.gz VEURZCJWZOBCQS-UHFFFAOYSA-N 1 0 337.420 3.146 20 5 EGBDRO CC1(C)CCC[N@H+](CCNCc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000767736110 1302754122 /nfs/dbraw/zinc/75/41/22/1302754122.db2.gz BZJIWCMCYNVWFM-UHFFFAOYSA-N 1 0 325.840 3.460 20 5 EGBDRO COCC(=O)N1CC[NH+](Cc2c3ccccc3cc3ccccc32)CC1 ZINC000768249333 1302866642 /nfs/dbraw/zinc/86/66/42/1302866642.db2.gz COEQSRBULAUPQJ-UHFFFAOYSA-N 1 0 348.446 3.284 20 5 EGBDRO C[N@@H+]1CC[C@]2(CCN(c3cccc(C(F)(F)F)c3[N+](=O)[O-])C2)C1 ZINC000884514315 1302891940 /nfs/dbraw/zinc/89/19/40/1302891940.db2.gz FTBUEZIZHKKPFF-AWEZNQCLSA-N 1 0 329.322 3.146 20 5 EGBDRO CCOC(=O)CC[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)CC1CC1 ZINC000768541783 1302930773 /nfs/dbraw/zinc/93/07/73/1302930773.db2.gz KZICAIDYLYJFEC-UHFFFAOYSA-N 1 0 340.807 3.413 20 5 EGBDRO Cc1[nH]c(C2CCN(c3c(Cl)cncc3[N+](=O)[O-])CC2)[nH+]c1C ZINC000884706959 1302960003 /nfs/dbraw/zinc/96/00/03/1302960003.db2.gz TXLGMDSEBYPPHS-UHFFFAOYSA-N 1 0 335.795 3.367 20 5 EGBDRO Cc1ccc(C[N@H+]2CCC[C@@H](c3ccnc(C)n3)C2)cc1[N+](=O)[O-] ZINC000768941217 1303018038 /nfs/dbraw/zinc/01/80/38/1303018038.db2.gz QNHMSDNVQLXESU-MRXNPFEDSA-N 1 0 326.400 3.381 20 5 EGBDRO O=[N+]([O-])c1ncccc1CN1CCC[N@H+](CC2CCCCC2)CC1 ZINC000885962672 1303300892 /nfs/dbraw/zinc/30/08/92/1303300892.db2.gz DQDBPMXSFWYNCH-UHFFFAOYSA-N 1 0 332.448 3.078 20 5 EGBDRO C[C@@H]1CC[N@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)CC12CCC2 ZINC000770668660 1303302492 /nfs/dbraw/zinc/30/24/92/1303302492.db2.gz AGOJCDADKVAMQL-CQSZACIVSA-N 1 0 341.415 3.323 20 5 EGBDRO C[C@@H]1CCN(Cc2cccnc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000886028422 1303324399 /nfs/dbraw/zinc/32/43/99/1303324399.db2.gz QRNSYKGRPFTNKX-MRXNPFEDSA-N 1 0 340.427 3.086 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@]1(O)CCc2ccccc21 ZINC000773098585 1303624947 /nfs/dbraw/zinc/62/49/47/1303624947.db2.gz MYKAAHXKXAZEFR-LIRRHRJNSA-N 1 0 326.396 3.388 20 5 EGBDRO CC(C)(C)SCC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000774239396 1303789506 /nfs/dbraw/zinc/78/95/06/1303789506.db2.gz KAVPUXMLUUTWAS-STQMWFEESA-N 1 0 326.466 3.396 20 5 EGBDRO CC[C@@H]1[C@@H](C)CC[N@@H+]1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000775782138 1304035631 /nfs/dbraw/zinc/03/56/31/1304035631.db2.gz CBHVZTIVMNDONO-GXFFZTMASA-N 1 0 325.796 3.307 20 5 EGBDRO CC[C@H]1[C@@H](C)CC[N@@H+]1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000775782137 1304036059 /nfs/dbraw/zinc/03/60/59/1304036059.db2.gz CBHVZTIVMNDONO-GWCFXTLKSA-N 1 0 325.796 3.307 20 5 EGBDRO C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000775928771 1304062602 /nfs/dbraw/zinc/06/26/02/1304062602.db2.gz AZKJHFJIDBRWNC-MRXNPFEDSA-N 1 0 349.431 3.330 20 5 EGBDRO Cc1ccccc1OCCC[N@@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776275933 1304126438 /nfs/dbraw/zinc/12/64/38/1304126438.db2.gz IRHLSHHLMNFIBB-SFHVURJKSA-N 1 0 344.411 3.338 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+](Cc2ccc(F)cc2)C2CC2)cc1 ZINC000776280410 1304127290 /nfs/dbraw/zinc/12/72/90/1304127290.db2.gz ZHPNWFWRDHDBDC-SFHVURJKSA-N 1 0 330.359 3.432 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@H+](CCc2cccc(F)c2)C2CC2)cc1 ZINC000776585071 1304174467 /nfs/dbraw/zinc/17/44/67/1304174467.db2.gz SAWRULKMKNVVSK-LJQANCHMSA-N 1 0 344.386 3.474 20 5 EGBDRO COc1ccc([C@H]2CC[N@H+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000776582480 1304175216 /nfs/dbraw/zinc/17/52/16/1304175216.db2.gz UUKVBIFRRYWEGJ-QFBILLFUSA-N 1 0 342.395 3.126 20 5 EGBDRO C[N@@H+](Cc1cc(F)c(F)c(F)c1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000777740613 1304342258 /nfs/dbraw/zinc/34/22/58/1304342258.db2.gz CZFAUTUJZZQKNR-OAHLLOKOSA-N 1 0 340.301 3.178 20 5 EGBDRO CC(C)[C@@H](Cc1ccccc1)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000779023318 1304519918 /nfs/dbraw/zinc/51/99/18/1304519918.db2.gz BTMHSSPKVOFGTQ-RTBURBONSA-N 1 0 328.412 3.485 20 5 EGBDRO CNC(=O)C1([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCCC1 ZINC000779175387 1304538253 /nfs/dbraw/zinc/53/82/53/1304538253.db2.gz FHPQDEINAFCKJL-UHFFFAOYSA-N 1 0 343.383 3.003 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)c1C ZINC000889766208 1304584843 /nfs/dbraw/zinc/58/48/43/1304584843.db2.gz QDDUDDGZHOSHCF-AWEZNQCLSA-N 1 0 333.432 3.014 20 5 EGBDRO COc1cc([N+](=O)[O-])cnc1NC1CC[NH+](Cc2ccccc2)CC1 ZINC000891420134 1305046764 /nfs/dbraw/zinc/04/67/64/1305046764.db2.gz WLGNZJHNAJYNHC-UHFFFAOYSA-N 1 0 342.399 3.075 20 5 EGBDRO CC[NH+](CC)CC1CCN(c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000891872089 1305196561 /nfs/dbraw/zinc/19/65/61/1305196561.db2.gz IDMVGTTWNGHEBK-UHFFFAOYSA-N 1 0 336.392 3.061 20 5 EGBDRO CCOCc1ccc(C[NH2+]Cc2ccc(O)c(OC)c2[N+](=O)[O-])cc1 ZINC000892554440 1305437390 /nfs/dbraw/zinc/43/73/90/1305437390.db2.gz IHNMDKZWVATPCY-UHFFFAOYSA-N 1 0 346.383 3.135 20 5 EGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000785867072 1305458042 /nfs/dbraw/zinc/45/80/42/1305458042.db2.gz OUSIGJSJVIENKA-GFCCVEGCSA-N 1 0 345.359 3.098 20 5 EGBDRO COc1c(O)ccc(C[NH2+]C[C@@H](C)Oc2ccc(C)cc2)c1[N+](=O)[O-] ZINC000893085871 1305698231 /nfs/dbraw/zinc/69/82/31/1305698231.db2.gz IERIXAWVMZCEPO-CYBMUJFWSA-N 1 0 346.383 3.175 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)Cc1cccc(C(N)=O)c1 ZINC000787407187 1305741246 /nfs/dbraw/zinc/74/12/46/1305741246.db2.gz SSDFTPODOJVZAR-NTEUORMPSA-N 1 0 339.395 3.229 20 5 EGBDRO CC[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000787994013 1305840064 /nfs/dbraw/zinc/84/00/64/1305840064.db2.gz AGNMQTDIFRGHJT-ZWNOBZJWSA-N 1 0 325.796 3.355 20 5 EGBDRO C[C@H](NCCC[N@H+](C)C1CCCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788509463 1305958966 /nfs/dbraw/zinc/95/89/66/1305958966.db2.gz YEWPVTPKNHELSX-AWEZNQCLSA-N 1 0 334.464 3.482 20 5 EGBDRO COc1ccc(C[NH2+][C@H](C(C)C)[C@@H](O)c2ccccc2)cc1[N+](=O)[O-] ZINC000788541326 1305966907 /nfs/dbraw/zinc/96/69/07/1305966907.db2.gz VQFCDJKILRNUAK-MOPGFXCFSA-N 1 0 344.411 3.451 20 5 EGBDRO C[C@H](NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788561130 1305970425 /nfs/dbraw/zinc/97/04/25/1305970425.db2.gz FNVWOPDGMKYCPT-QWQRMKEZSA-N 1 0 334.464 3.338 20 5 EGBDRO COc1cc(NC[C@@H]2[N@H+](C)CCCC2(C)C)c([N+](=O)[O-])cc1OC ZINC000790285011 1306290018 /nfs/dbraw/zinc/29/00/18/1306290018.db2.gz MGCXVBCPEHBBKP-INIZCTEOSA-N 1 0 337.420 3.144 20 5 EGBDRO COCC[N@H+](Cn1ncc2cc([N+](=O)[O-])ccc21)[C@H]1CC[C@@H](C)C1 ZINC000790482177 1306335129 /nfs/dbraw/zinc/33/51/29/1306335129.db2.gz ZMBZAEVLWSURAV-HIFRSBDPSA-N 1 0 332.404 3.039 20 5 EGBDRO COCC[N@H+](Cn1ncc2cc([N+](=O)[O-])ccc21)[C@H]1CC[C@H](C)C1 ZINC000790482179 1306336009 /nfs/dbraw/zinc/33/60/09/1306336009.db2.gz ZMBZAEVLWSURAV-ZFWWWQNUSA-N 1 0 332.404 3.039 20 5 EGBDRO Cc1cccc(CC[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000793202335 1309316295 /nfs/dbraw/zinc/31/62/95/1309316295.db2.gz HBCBQUQKZJRQOO-UHFFFAOYSA-N 1 0 340.427 3.099 20 5 EGBDRO Cc1ccc(C[NH2+][C@H](C)CCNC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000793602620 1309414425 /nfs/dbraw/zinc/41/44/25/1309414425.db2.gz ZMEPTJMXDXBNKX-CYBMUJFWSA-N 1 0 337.420 3.296 20 5 EGBDRO CCc1ccc([C@H](O)C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])cc1 ZINC000796451297 1310003838 /nfs/dbraw/zinc/00/38/38/1310003838.db2.gz NADXMBAQAXSFHQ-SUOMESGTSA-N 1 0 326.396 3.494 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]Cc1cnn(CC2CCC2)c1 ZINC000897429574 1310333779 /nfs/dbraw/zinc/33/37/79/1310333779.db2.gz ITUCGEYLUZMVRP-UHFFFAOYSA-N 1 0 328.416 3.498 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]Cc1cnn(CC2CCC2)c1 ZINC000897433235 1310336249 /nfs/dbraw/zinc/33/62/49/1310336249.db2.gz SMRMIXBGVYBYLD-YWEYNIOJSA-N 1 0 326.400 3.394 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCCCCC[NH+]2CCCC2)c1C ZINC000897853399 1310491219 /nfs/dbraw/zinc/49/12/19/1310491219.db2.gz SOHPNXRCQXRGTB-UHFFFAOYSA-N 1 0 333.432 3.208 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](CCO)Cc1ccccc1 ZINC000799350060 1310533737 /nfs/dbraw/zinc/53/37/37/1310533737.db2.gz NWIFVFKDLRYTRM-QGZVFWFLSA-N 1 0 344.411 3.077 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H](CCO)Cc1ccccc1 ZINC000799351432 1310535398 /nfs/dbraw/zinc/53/53/98/1310535398.db2.gz PBVTUMZJEVEYRX-TWVNLXSWSA-N 1 0 326.396 3.191 20 5 EGBDRO COC(=O)C(C)(C)[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000801526638 1310954303 /nfs/dbraw/zinc/95/43/03/1310954303.db2.gz TZEDWVOPVAWPIO-CYBMUJFWSA-N 1 0 338.379 3.145 20 5 EGBDRO C[C@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)c1ccsc1 ZINC000801569128 1310966847 /nfs/dbraw/zinc/96/68/47/1310966847.db2.gz DEAFQMULXXGCCP-JTQLQIEISA-N 1 0 337.376 3.475 20 5 EGBDRO CC[NH+](CC)C[C@H](C)NC(=O)c1cc(Cl)c(C)cc1[N+](=O)[O-] ZINC000836696666 1320522538 /nfs/dbraw/zinc/52/25/38/1320522538.db2.gz AHKCNUNAGBRFDP-NSHDSACASA-N 1 0 327.812 3.017 20 5 EGBDRO CC[C@H]1CN(CC)CCN1C(=O)c1cc(Cl)c(C)cc1[N+](=O)[O-] ZINC000839416669 1320916210 /nfs/dbraw/zinc/91/62/10/1320916210.db2.gz NNLPKLWLMBXFKR-LBPRGKRZSA-N 1 0 339.823 3.113 20 5 EGBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])C1 ZINC000804357294 1317223500 /nfs/dbraw/zinc/22/35/00/1317223500.db2.gz CQMUOZZNHSOVHF-MGPQQGTHSA-N 1 0 348.403 3.345 20 5 EGBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1c1nc2ccc([N+](=O)[O-])cc2s1 ZINC000804812001 1317287488 /nfs/dbraw/zinc/28/74/88/1317287488.db2.gz CHUQMPVURFRLOD-AAEUAGOBSA-N 1 0 332.429 3.268 20 5 EGBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N(C)CCC[N@H+](C)Cc1ccco1 ZINC000804841041 1317292113 /nfs/dbraw/zinc/29/21/13/1317292113.db2.gz PCZQJNHDNZFVNG-UHFFFAOYSA-N 1 0 345.399 3.349 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC(CC[NH+](C)C)CC2)c1C ZINC000900694156 1317324441 /nfs/dbraw/zinc/32/44/41/1317324441.db2.gz FUFQCJWRXOEENN-UHFFFAOYSA-N 1 0 333.432 3.016 20 5 EGBDRO CC(C)[NH2+]Cc1cc(-c2ccc(N3CCCC3)c([N+](=O)[O-])c2)no1 ZINC000901397984 1317418189 /nfs/dbraw/zinc/41/81/89/1317418189.db2.gz IAVBAQNKMVJQQN-UHFFFAOYSA-N 1 0 330.388 3.348 20 5 EGBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000807549511 1317570664 /nfs/dbraw/zinc/57/06/64/1317570664.db2.gz BCOOIJBNPDOOFX-LBPRGKRZSA-N 1 0 340.811 3.244 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1ccc2c(c1)ncn2C ZINC000903204001 1317674070 /nfs/dbraw/zinc/67/40/70/1317674070.db2.gz ZTBBVVVGRMQEMM-LBPRGKRZSA-N 1 0 340.383 3.341 20 5 EGBDRO CCCN(CC[NH+]1CCCCCC1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000808781394 1317733508 /nfs/dbraw/zinc/73/35/08/1317733508.db2.gz DTISCYSEAWJZLY-IBGZPJMESA-N 1 0 349.475 3.216 20 5 EGBDRO [NH3+]C1(CNCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC1 ZINC000904451527 1317849400 /nfs/dbraw/zinc/84/94/00/1317849400.db2.gz YXLKZJSEPPOHRV-UHFFFAOYSA-N 1 0 331.347 3.107 20 5 EGBDRO C[NH+](C)CCN(CCc1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000809730742 1317881397 /nfs/dbraw/zinc/88/13/97/1317881397.db2.gz BXRFIJSHPORMHD-UHFFFAOYSA-N 1 0 327.428 3.201 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000810317233 1317997799 /nfs/dbraw/zinc/99/77/99/1317997799.db2.gz KSCMVSGQOFKDBJ-CYBMUJFWSA-N 1 0 334.420 3.153 20 5 EGBDRO C[C@@H]1C[C@H](Nc2cc(Br)ccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000811811897 1318271769 /nfs/dbraw/zinc/27/17/69/1318271769.db2.gz HWQUGPDZEGUUNJ-KOLCDFICSA-N 1 0 340.221 3.394 20 5 EGBDRO CCC[N@H+](CC)C[C@H](C)Nc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1 ZINC000811869306 1318282768 /nfs/dbraw/zinc/28/27/68/1318282768.db2.gz JXJXZDXEJQIWBL-ZDUSSCGKSA-N 1 0 348.447 3.019 20 5 EGBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000812393971 1318381123 /nfs/dbraw/zinc/38/11/23/1318381123.db2.gz MIWFGLPJAFKHMC-NSHDSACASA-N 1 0 327.812 3.098 20 5 EGBDRO CCc1ccc([C@@H]2CC[N@H+](Cn3nc(C)c([N+](=O)[O-])c3C)C2)cc1 ZINC000814225210 1318704394 /nfs/dbraw/zinc/70/43/94/1318704394.db2.gz PMFKHOHOEQVCJZ-QGZVFWFLSA-N 1 0 328.416 3.418 20 5 EGBDRO C[C@@H]([NH2+]C[C@@H]1COC2(CCC(C)CC2)O1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815609899 1319026999 /nfs/dbraw/zinc/02/69/99/1319026999.db2.gz WEJYTUOFUGBBHV-IBTMFYDMSA-N 1 0 349.431 3.149 20 5 EGBDRO Cc1ccc([C@H](O)[C@H](C)[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000815625393 1319030422 /nfs/dbraw/zinc/03/04/22/1319030422.db2.gz BWILXPSKFAUTKR-FHSNZYRGSA-N 1 0 329.400 3.258 20 5 EGBDRO CC1(C)CCC[C@@]1(O)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000816640286 1319198345 /nfs/dbraw/zinc/19/83/45/1319198345.db2.gz BNLVCGNYVCKRCU-LJQANCHMSA-N 1 0 347.459 3.094 20 5 EGBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)C1CCC([NH3+])CC1 ZINC000818529622 1319551819 /nfs/dbraw/zinc/55/18/19/1319551819.db2.gz MBMFNMXYNYCTPQ-UHFFFAOYSA-N 1 0 337.445 3.049 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCCSc2ccccc2)cc1 ZINC000818942152 1319583262 /nfs/dbraw/zinc/58/32/62/1319583262.db2.gz GHNRXLWUHNNPOM-KRWDZBQOSA-N 1 0 332.425 3.400 20 5 EGBDRO CC(C)COc1cccc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000818975327 1319599952 /nfs/dbraw/zinc/59/99/52/1319599952.db2.gz WWSLWEOZQXZDDC-LJQANCHMSA-N 1 0 344.411 3.453 20 5 EGBDRO Cc1ccc(C[C@@H](C)[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000819042240 1319620198 /nfs/dbraw/zinc/62/01/98/1319620198.db2.gz LNGNSJSUZLSHHL-DNVCBOLYSA-N 1 0 328.412 3.466 20 5 EGBDRO Cc1ccc(C[C@@H](C)[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000819042239 1319620357 /nfs/dbraw/zinc/62/03/57/1319620357.db2.gz LNGNSJSUZLSHHL-BEFAXECRSA-N 1 0 328.412 3.466 20 5 EGBDRO CC[C@@H]1CCCN(C(C)(C)C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819046361 1319621493 /nfs/dbraw/zinc/62/14/93/1319621493.db2.gz MAGHKUOPUNPONF-CRAIPNDOSA-N 1 0 349.475 3.118 20 5 EGBDRO CC[C@H]1CCCN(C(C)(C)C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000819047630 1319622247 /nfs/dbraw/zinc/62/22/47/1319622247.db2.gz XGDKJZLIWDHOAZ-YJBOKZPZSA-N 1 0 349.475 3.118 20 5 EGBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]C[C@H](O)c2ccccc2F)cc1 ZINC000819092506 1319633071 /nfs/dbraw/zinc/63/30/71/1319633071.db2.gz XZBDXVVXDKNXFU-SFHVURJKSA-N 1 0 332.375 3.380 20 5 EGBDRO CC[C@@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)Oc1cccc(F)c1 ZINC000819141925 1319647983 /nfs/dbraw/zinc/64/79/83/1319647983.db2.gz MHXSIHUNMTVDMW-WMZOPIPTSA-N 1 0 348.374 3.215 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)CNC[C@@H]2CCC[N@@H+]2C2CCCCC2)cc1 ZINC000819285919 1319690371 /nfs/dbraw/zinc/69/03/71/1319690371.db2.gz JMWDGSZFZMWQMI-RBUKOAKNSA-N 1 0 347.459 3.015 20 5 EGBDRO O=C(NCCCCC[NH+]1CCCC1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000820630054 1319924660 /nfs/dbraw/zinc/92/46/60/1319924660.db2.gz IDPKBJVKWCYEEN-QZTJIDSGSA-N 1 0 345.443 3.081 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)NC(C)(C)CCC[NH+](C)C ZINC000821543915 1320020202 /nfs/dbraw/zinc/02/02/02/1320020202.db2.gz LUHBGOGIGDQGRZ-UHFFFAOYSA-N 1 0 339.461 3.167 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2noc(-c3ccc4c(c3)CC[NH2+]CC4)n2)s1 ZINC000823069232 1320151146 /nfs/dbraw/zinc/15/11/46/1320151146.db2.gz JFRGSXANQYZAIG-UHFFFAOYSA-N 1 0 342.380 3.062 20 5 EGBDRO C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC(NC(=O)OC(C)(C)C)C1 ZINC000824733829 1320281805 /nfs/dbraw/zinc/28/18/05/1320281805.db2.gz ZWAOGNQWUGETMR-UHFFFAOYSA-N 1 0 335.404 3.082 20 5 EGBDRO Cc1cc(Cl)c(C(=O)NCC[NH+]2CCCCCC2)cc1[N+](=O)[O-] ZINC000825441101 1320338244 /nfs/dbraw/zinc/33/82/44/1320338244.db2.gz KPZPIWKYBBNYFD-UHFFFAOYSA-N 1 0 339.823 3.162 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)CCNC(=O)OC(C)(C)C ZINC000839136684 1320878315 /nfs/dbraw/zinc/87/83/15/1320878315.db2.gz WWGLXDQJPPUGLW-CYBMUJFWSA-N 1 0 337.420 3.421 20 5 EGBDRO CC[C@@H](CSC)[N@H+](C)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839534990 1320934363 /nfs/dbraw/zinc/93/43/63/1320934363.db2.gz FLKXSQQPJXHHLO-NSHDSACASA-N 1 0 345.852 3.260 20 5 EGBDRO CC[C@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@H]1CC1(C)C ZINC000842165004 1321356396 /nfs/dbraw/zinc/35/63/96/1321356396.db2.gz ZLKQTWUIMKZJNH-OCCSQVGLSA-N 1 0 337.395 3.477 20 5 EGBDRO Cc1ccc(C[N@@H+](C)C[C@@]2(O)CCc3ccccc32)cc1[N+](=O)[O-] ZINC000843421618 1321516459 /nfs/dbraw/zinc/51/64/59/1321516459.db2.gz RUDMXVFKWOVWBM-IBGZPJMESA-N 1 0 326.396 3.169 20 5 EGBDRO C[C@@H](C[NH+]1CCCC1)OC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000845672082 1321732328 /nfs/dbraw/zinc/73/23/28/1321732328.db2.gz MOPNKYSHOWUORS-STQMWFEESA-N 1 0 338.429 3.103 20 5 EGBDRO CC(C)(C)[N@@H+]1CC[C@H]1COC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000845728561 1321737329 /nfs/dbraw/zinc/73/73/29/1321737329.db2.gz JMACBTPIOXJSRT-ZDUSSCGKSA-N 1 0 334.416 3.288 20 5 EGBDRO COC(=O)c1cc([N+](=O)[O-])cc(-c2ccc(C[NH+](C)C)cc2)c1C ZINC000846780383 1321807806 /nfs/dbraw/zinc/80/78/06/1321807806.db2.gz VKZDTDPHMNSUIR-UHFFFAOYSA-N 1 0 328.368 3.418 20 5 EGBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)C1 ZINC000930862767 1328990102 /nfs/dbraw/zinc/99/01/02/1328990102.db2.gz LMNYFIHMTJNNMB-HNNXBMFYSA-N 1 0 348.447 3.407 20 5 EGBDRO C[C@@H](CNC(=O)OC(C)(C)C)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000848546870 1321973185 /nfs/dbraw/zinc/97/31/85/1321973185.db2.gz HUBLMKUMJOSFDO-FZMZJTMJSA-N 1 0 335.404 3.085 20 5 EGBDRO C[C@@H](C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000848565297 1321976866 /nfs/dbraw/zinc/97/68/66/1321976866.db2.gz IJZSCBKKJPPIDR-JTQLQIEISA-N 1 0 328.796 3.316 20 5 EGBDRO COC(=O)Cc1ccccc1C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000848573117 1321978824 /nfs/dbraw/zinc/97/88/24/1321978824.db2.gz QGWHVSDBCYSKPP-QGZVFWFLSA-N 1 0 340.379 3.087 20 5 EGBDRO COc1ccc(NC(=[NH2+])NCCc2cccc([N+](=O)[O-])c2)cc1Cl ZINC000849001529 1322057653 /nfs/dbraw/zinc/05/76/53/1322057653.db2.gz VLBQLJHBTZMWTQ-UHFFFAOYSA-N 1 0 348.790 3.436 20 5 EGBDRO COc1ccc(NC(=[NH2+])NCCc2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000849066247 1322064338 /nfs/dbraw/zinc/06/43/38/1322064338.db2.gz KVLVYBIGCNKMQH-UHFFFAOYSA-N 1 0 348.790 3.436 20 5 EGBDRO C[N@@H+]1CCCC[C@@H]1CCOC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000919526801 1322076104 /nfs/dbraw/zinc/07/61/04/1322076104.db2.gz REXLSTAYFHBOJR-CYBMUJFWSA-N 1 0 331.372 3.107 20 5 EGBDRO [NH2+]=C(NCCCCc1ccc([N+](=O)[O-])cc1)NCCc1ccccc1 ZINC000849100010 1322078648 /nfs/dbraw/zinc/07/86/48/1322078648.db2.gz VRIYNMUJZPGTQH-UHFFFAOYSA-N 1 0 340.427 3.274 20 5 EGBDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000849301090 1322108816 /nfs/dbraw/zinc/10/88/16/1322108816.db2.gz MRBJAZVLAXRCJG-ZDUSSCGKSA-N 1 0 336.461 3.002 20 5 EGBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000920746695 1322216091 /nfs/dbraw/zinc/21/60/91/1322216091.db2.gz ZGCHRJDQMZYRRI-ZMFSOPNWSA-N 1 0 345.443 3.091 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H](O)c1ccccc1F ZINC000850426567 1322246672 /nfs/dbraw/zinc/24/66/72/1322246672.db2.gz WMQQITWSNYJTFH-ZBEGNZNMSA-N 1 0 334.347 3.127 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H](O)c1ccccc1C ZINC000850434715 1322248551 /nfs/dbraw/zinc/24/85/51/1322248551.db2.gz WXWMSRCSUDNJBQ-DYVFJYSZSA-N 1 0 330.384 3.296 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@](C)(O)c1ccsc1 ZINC000850437425 1322249444 /nfs/dbraw/zinc/24/94/44/1322249444.db2.gz PBNRXMIXZNYYGU-BZNIZROVSA-N 1 0 336.413 3.223 20 5 EGBDRO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@](O)(c2ccccc2)C1 ZINC000859589088 1329028501 /nfs/dbraw/zinc/02/85/01/1329028501.db2.gz MWOHNXMCWKDTME-GOSISDBHSA-N 1 0 330.359 3.218 20 5 EGBDRO Cc1noc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)c1[N+](=O)[O-] ZINC000851860000 1323104538 /nfs/dbraw/zinc/10/45/38/1323104538.db2.gz DMUJQPNZDSUPTK-LSDHHAIUSA-N 1 0 349.362 3.118 20 5 EGBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000931718706 1329171003 /nfs/dbraw/zinc/17/10/03/1329171003.db2.gz DJRFIFLTYAQFAO-GXTWGEPZSA-N 1 0 343.349 3.282 20 5 EGBDRO C[C@H]([NH2+]C[C@H]1CCCN1CC(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000926927401 1327781216 /nfs/dbraw/zinc/78/12/16/1327781216.db2.gz VDDCDNFZXJHFNQ-SMDDNHRTSA-N 1 0 331.338 3.272 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC1CC2(C1)OCCO2 ZINC000926998554 1327812740 /nfs/dbraw/zinc/81/27/40/1327812740.db2.gz CMSTXBAFXRSADN-LLVKDONJSA-N 1 0 338.429 3.120 20 5 EGBDRO C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000928246731 1328254070 /nfs/dbraw/zinc/25/40/70/1328254070.db2.gz CQTKHZQKSQQAGJ-GDBMZVCRSA-N 1 0 345.443 3.427 20 5 EGBDRO O=[N+]([O-])c1ccc(Cl)c(Cl)c1NCCC[NH+]1CCC(O)CC1 ZINC000865453728 1329699504 /nfs/dbraw/zinc/69/95/04/1329699504.db2.gz JAXICMQMBOMVKE-UHFFFAOYSA-N 1 0 348.230 3.160 20 5 EGBDRO C[N@@H+]1CCC[C@H]2CN(c3ccc([N+](=O)[O-])cc3C(F)F)CC[C@H]21 ZINC000865616109 1329720367 /nfs/dbraw/zinc/72/03/67/1329720367.db2.gz GUHGIQLMFZZHKW-SMDDNHRTSA-N 1 0 325.359 3.453 20 5 EGBDRO C[C@H]1C[N@H+](CCCNc2ccc([N+](=O)[O-])cc2C(F)F)CCCO1 ZINC000865730372 1329733461 /nfs/dbraw/zinc/73/34/61/1329733461.db2.gz WTFIVRUFMNCLRA-LBPRGKRZSA-N 1 0 343.374 3.445 20 5 EGBDRO C[C@@H]([NH2+][C@@H](c1ccccn1)C1CC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000932379269 1329810056 /nfs/dbraw/zinc/81/00/56/1329810056.db2.gz XRRCWFVPNWHTLX-SJKOYZFVSA-N 1 0 340.383 3.058 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000933465534 1329891230 /nfs/dbraw/zinc/89/12/30/1329891230.db2.gz VALWFWCVKLHYQF-NSHDSACASA-N 1 0 339.461 3.023 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC2(CCC[N@@H+]2C)CC1 ZINC000935216833 1330036216 /nfs/dbraw/zinc/03/62/16/1330036216.db2.gz DWCWFTOGEGJJEI-UHFFFAOYSA-N 1 0 349.456 3.017 20 5 EGBDRO Cc1ncc2c(n1)CCC[C@@H]2[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866267675 1330087779 /nfs/dbraw/zinc/08/77/79/1330087779.db2.gz GWUCDSAOIMJDEW-ZBEGNZNMSA-N 1 0 344.390 3.431 20 5 EGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000866311440 1330094382 /nfs/dbraw/zinc/09/43/82/1330094382.db2.gz KYVRZSGWYIPCDL-IPALMDDQSA-N 1 0 334.391 3.212 20 5 EGBDRO C[C@@H](C[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-])CC1(C)OCCO1 ZINC000866427589 1330110588 /nfs/dbraw/zinc/11/05/88/1330110588.db2.gz MBESLZFQUYBLNJ-CHWSQXEVSA-N 1 0 340.395 3.044 20 5 EGBDRO CN(C(=O)C1(C)CCC1)C1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001005832345 1336406036 /nfs/dbraw/zinc/40/60/36/1336406036.db2.gz IONNLHMOPOKHFE-UHFFFAOYSA-N 1 0 345.443 3.208 20 5 EGBDRO CC1(C(=O)N[C@H]2CC[C@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)CC2)CCC1 ZINC001034709374 1342705799 /nfs/dbraw/zinc/70/57/99/1342705799.db2.gz DVBNPGKJTNRKCQ-WKILWMFISA-N 1 0 345.443 3.302 20 5 EGBDRO CN(C)c1ncccc1C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001324378176 1387613699 /nfs/dbraw/zinc/61/36/99/1387613699.db2.gz KRAZUDIVWPPTJZ-MRXNPFEDSA-N 1 0 340.427 3.435 20 5 EGBDRO Cc1nn(C[N@@H+]2CC[C@H]3CCCC[C@H]3C2)c2ncc([N+](=O)[O-])cc12 ZINC001116207975 1370859485 /nfs/dbraw/zinc/85/94/85/1370859485.db2.gz HDWMBXHNYUZWGT-KGLIPLIRSA-N 1 0 329.404 3.118 20 5 EGBDRO Cc1cncc([N+](=O)[O-])c1N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001117295723 1371034461 /nfs/dbraw/zinc/03/44/61/1371034461.db2.gz FRWHYEXNDSWMHF-DOTOQJQBSA-N 1 0 340.427 3.043 20 5 EGBDRO CCc1ccc([C@@H](NCC[C@H](C)[NH2+]C)c2ccc([N+](=O)[O-])cc2)o1 ZINC001118059145 1371126472 /nfs/dbraw/zinc/12/64/72/1371126472.db2.gz OJSGLFFHQHULMV-UGSOOPFHSA-N 1 0 331.416 3.427 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC3(CCC[C@@H]3C[NH3+])CC2)c1C ZINC001122464156 1372252303 /nfs/dbraw/zinc/25/23/03/1372252303.db2.gz RPEBFXOIAZJLPU-OAHLLOKOSA-N 1 0 345.443 3.193 20 5 EGBDRO O[C@H]1C[NH2+]CCN(Cc2ccc3ccc4cccc5ccc2c3c45)C1 ZINC001210400305 1372343080 /nfs/dbraw/zinc/34/30/80/1372343080.db2.gz TYQZEFYZDKPTQC-IBGZPJMESA-N 1 0 330.431 3.350 20 5 EGBDRO Nc1cc[nH+]cc1-c1nc(-c2ccc3ccc4cccnc4c3n2)no1 ZINC001212999294 1372816520 /nfs/dbraw/zinc/81/65/20/1372816520.db2.gz XHBNKIDFFVIIOQ-UHFFFAOYSA-N 1 0 340.346 3.308 20 5 EGBDRO C[NH+]1CCN(c2ccc(Nc3c(F)ccc([N+](=O)[O-])c3F)cc2)CC1 ZINC001215295027 1373196131 /nfs/dbraw/zinc/19/61/31/1373196131.db2.gz QBJRWOQOQISWQU-UHFFFAOYSA-N 1 0 348.353 3.368 20 5 EGBDRO CC(C)([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC001326622448 1388260716 /nfs/dbraw/zinc/26/07/16/1388260716.db2.gz AFPKMYRHNIULKU-HNNXBMFYSA-N 1 0 336.432 3.283 20 5 EGBDRO C[C@@H](Oc1cnc2ccc(=O)n3c4ccccc4c1c23)C1CC[NH2+]CC1 ZINC001218005486 1373533339 /nfs/dbraw/zinc/53/33/39/1373533339.db2.gz KQDDRTSAMAWWRC-CYBMUJFWSA-N 1 0 347.418 3.206 20 5 EGBDRO O=[N+]([O-])c1ccc(Br)cc1O[C@@H]1CCC[C@]12CC[NH2+]C2 ZINC001218092067 1373558362 /nfs/dbraw/zinc/55/83/62/1373558362.db2.gz QKDDPCAHZZFJPB-ZIAGYGMSSA-N 1 0 341.205 3.268 20 5 EGBDRO O=[N+]([O-])c1cc(O[C@H]2CCC[C@]23CC[NH2+]C3)ccc1Br ZINC001218091347 1373558234 /nfs/dbraw/zinc/55/82/34/1373558234.db2.gz DICHCVUUTXWUAZ-UONOGXRCSA-N 1 0 341.205 3.268 20 5 EGBDRO CC(C)(C)c1cc([N+](=O)[O-])c(O[C@@H]2CC[C@@]23CC[NH2+]C3)c([N+](=O)[O-])c1 ZINC001218116930 1373563652 /nfs/dbraw/zinc/56/36/52/1373563652.db2.gz LNNPSQAYUMFRKJ-PBHICJAKSA-N 1 0 349.387 3.321 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1ccc(O[C@H]2CC[C@@H]3[NH2+]CCO[C@H]32)cc1 ZINC001218151064 1373570846 /nfs/dbraw/zinc/57/08/46/1373570846.db2.gz ROVXJMOVPJMYFW-YTQUADARSA-N 1 0 340.379 3.160 20 5 EGBDRO Cc1cc(Br)cc([N+](=O)[O-])c1O[C@H]1CCC2(C[NH2+]C2)C1 ZINC001218236845 1373580755 /nfs/dbraw/zinc/58/07/55/1373580755.db2.gz DFUVBIPBCYTQQR-NSHDSACASA-N 1 0 341.205 3.187 20 5 EGBDRO CCC(C)(C)c1cc([N+](=O)[O-])c(O[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001218286768 1373588399 /nfs/dbraw/zinc/58/83/99/1373588399.db2.gz SZUBSBJPOWSKKS-LBPRGKRZSA-N 1 0 337.376 3.321 20 5 EGBDRO CCC(=O)[C@H]1C[C@@H](Oc2ccc(-c3ccccc3)cc2[N+](=O)[O-])C[NH2+]1 ZINC001218324130 1373596531 /nfs/dbraw/zinc/59/65/31/1373596531.db2.gz ZLDXFYCQMPMWMQ-HZPDHXFCSA-N 1 0 340.379 3.350 20 5 EGBDRO C[C@H]1CC[C@@H](Oc2c(F)cc(Br)cc2[N+](=O)[O-])C[NH2+]1 ZINC001218409964 1373609560 /nfs/dbraw/zinc/60/95/60/1373609560.db2.gz ZNAVIZMJLQXGFT-IONNQARKSA-N 1 0 333.157 3.016 20 5 EGBDRO C[C@@H]1C[NH2+]CC[C@H]1Oc1c([N+](=O)[O-])cc(C(C)(C)C)cc1[N+](=O)[O-] ZINC001218424183 1373610516 /nfs/dbraw/zinc/61/05/16/1373610516.db2.gz MTAFRJDLJCBECC-QMTHXVAHSA-N 1 0 337.376 3.177 20 5 EGBDRO O=[N+]([O-])c1cc([N+](=O)[O-])c(O[C@@H]2CC[C@@H]3C[NH2+]C[C@H]23)c2ccccc21 ZINC001218460904 1373618709 /nfs/dbraw/zinc/61/87/09/1373618709.db2.gz OSDQMLBCWMQRMP-AKWBHNSASA-N 1 0 343.339 3.033 20 5 EGBDRO CC(C)C[C@H]([NH3+])CC(=O)Nc1cc2nc3ccccc3nc2cc1N ZINC001218857298 1373662309 /nfs/dbraw/zinc/66/23/09/1373662309.db2.gz KALNVHGGRRQRBV-LBPRGKRZSA-N 1 0 337.427 3.067 20 5 EGBDRO Nc1cc2nc3ccccc3nc2cc1NC(=O)c1ccccc1C[NH3+] ZINC001218860286 1373662789 /nfs/dbraw/zinc/66/27/89/1373662789.db2.gz WEDUFWGCZGHYIX-UHFFFAOYSA-N 1 0 343.390 3.076 20 5 EGBDRO C[C@@H](c1ccccn1)[N@@H+]1CC[C@@H](Oc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001225906455 1375172749 /nfs/dbraw/zinc/17/27/49/1375172749.db2.gz BDZUDXORRLMVEL-GXTWGEPZSA-N 1 0 331.347 3.343 20 5 EGBDRO Cc1cc([N+](=O)[O-])cnc1O[C@@H]1CCC[N@@H+]([C@@H](C)c2ccccn2)C1 ZINC001226763769 1375327548 /nfs/dbraw/zinc/32/75/48/1375327548.db2.gz BOSQYCOGBHYPSL-GOEBONIOSA-N 1 0 342.399 3.298 20 5 EGBDRO C[NH+]1CCC2(CC[C@H](COc3ccc([N+](=O)[O-])cc3Cl)O2)CC1 ZINC001226762335 1375328348 /nfs/dbraw/zinc/32/83/48/1375328348.db2.gz QNXPQQIPAJWBTJ-CYBMUJFWSA-N 1 0 340.807 3.270 20 5 EGBDRO C[N@@H+]1CCC[C@@H](Oc2ccc(OC(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC001227601852 1375451499 /nfs/dbraw/zinc/45/14/99/1375451499.db2.gz NAFQPRDMPUTEFP-SNVBAGLBSA-N 1 0 334.294 3.357 20 5 EGBDRO C[NH+]1CCC2(CC[C@H](COc3cc(Cl)cc([N+](=O)[O-])c3)O2)CC1 ZINC001228254964 1375534638 /nfs/dbraw/zinc/53/46/38/1375534638.db2.gz CEMXKTIGSHAURY-CQSZACIVSA-N 1 0 340.807 3.270 20 5 EGBDRO Cc1[nH]c(=O)cc(O[C@@H](CC[NH+](C)C)c2ccccc2)c1[N+](=O)[O-] ZINC001228687050 1375640781 /nfs/dbraw/zinc/64/07/81/1375640781.db2.gz UBPIEBPNUYUODW-AWEZNQCLSA-N 1 0 331.372 3.076 20 5 EGBDRO Cc1cc(OC[C@H]2CN(Cc3ccccc3)CCO2)cc([N+](=O)[O-])c1 ZINC001228832745 1375689109 /nfs/dbraw/zinc/68/91/09/1375689109.db2.gz BUFXBYYRIIUUQH-LJQANCHMSA-N 1 0 342.395 3.183 20 5 EGBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1cc(Br)cc([N+](=O)[O-])c1)C2 ZINC001229145083 1375774336 /nfs/dbraw/zinc/77/43/36/1375774336.db2.gz INJDEHGSRPIBGD-GNXNZQSNSA-N 1 0 341.205 3.361 20 5 EGBDRO O=[N+]([O-])c1cc2c[nH]nc2cc1O[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001230595569 1376091039 /nfs/dbraw/zinc/09/10/39/1376091039.db2.gz KUVZUGXRQIPRQA-OAHLLOKOSA-N 1 0 338.367 3.124 20 5 EGBDRO O=[N+]([O-])c1nc(Cl)ccc1O[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001230873229 1376172615 /nfs/dbraw/zinc/17/26/15/1376172615.db2.gz XCANYAFVROUYQI-ZDUSSCGKSA-N 1 0 333.775 3.297 20 5 EGBDRO O=c1[nH]ccc2c1CC[N@H+](Cc1ccc3ccc4cccnc4c3n1)C2 ZINC001232226799 1376419218 /nfs/dbraw/zinc/41/92/18/1376419218.db2.gz YMIDUWROTMQOHK-UHFFFAOYSA-N 1 0 342.402 3.442 20 5 EGBDRO CC(C)(C)OC(=O)c1ccc([N+](=O)[O-])c(O[C@H]2C[NH+]3CCC2CC3)c1 ZINC001233529656 1376662078 /nfs/dbraw/zinc/66/20/78/1376662078.db2.gz AERZNCRJTUXSHS-INIZCTEOSA-N 1 0 348.399 3.023 20 5 EGBDRO Cc1ccnc([N+](=O)[O-])c1O[C@@H]1CCCN(Cc2ccccc2F)C1 ZINC001233553870 1376668645 /nfs/dbraw/zinc/66/86/45/1376668645.db2.gz NZZZIBUXTOIGKL-OAHLLOKOSA-N 1 0 345.374 3.481 20 5 EGBDRO CC(C)c1cccc(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001146623803 1378880456 /nfs/dbraw/zinc/88/04/56/1378880456.db2.gz QPNRFHLGGGTDAT-UHFFFAOYSA-N 1 0 341.411 3.238 20 5 EGBDRO CC[N@@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])cc2OC(F)F)C1 ZINC001327969597 1388635862 /nfs/dbraw/zinc/63/58/62/1388635862.db2.gz WSJCGVNNTVSSAS-NSHDSACASA-N 1 0 329.347 3.340 20 5 EGBDRO CC[N@@H+]1CCCN(c2ncnc3c(Cl)cc([N+](=O)[O-])cc32)[C@H](C)C1 ZINC001328042622 1388652312 /nfs/dbraw/zinc/65/23/12/1388652312.db2.gz ZFESFJBDEPRCOI-LLVKDONJSA-N 1 0 349.822 3.112 20 5 EGBDRO c1cnc2c(c1)ccc1ccc(N[C@H]3CCCC[C@@]34C[NH2+]CCO4)nc12 ZINC001155824311 1380495787 /nfs/dbraw/zinc/49/57/87/1380495787.db2.gz NTUMNQYWYVMAKP-LAUBAEHRSA-N 1 0 348.450 3.496 20 5 EGBDRO C[NH+](C)Cc1cccc(CNc2cnc3cc([N+](=O)[O-])ccc3n2)c1 ZINC001156043829 1380516127 /nfs/dbraw/zinc/51/61/27/1380516127.db2.gz AOBCYCKZSXKEPC-UHFFFAOYSA-N 1 0 337.383 3.212 20 5 EGBDRO O=[N+]([O-])c1ccc2ccc(N3CC[NH2+]C[C@H]3c3cccs3)nc2c1 ZINC001156097535 1380524917 /nfs/dbraw/zinc/52/49/17/1380524917.db2.gz JMMWGDQFHVGGBH-HNNXBMFYSA-N 1 0 340.408 3.355 20 5 EGBDRO COc1cnc(NC[C@@H](c2ccccc2)[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC001156531637 1380589457 /nfs/dbraw/zinc/58/94/57/1380589457.db2.gz PJZFXTZADIEGNC-KRWDZBQOSA-N 1 0 342.399 3.247 20 5 EGBDRO C[N@@H+]1CCC[C@H]2CN(c3nc4ccccc4c(Cl)c3[N+](=O)[O-])C[C@@H]21 ZINC001157266791 1380828168 /nfs/dbraw/zinc/82/81/68/1380828168.db2.gz XFKWZEZIMRACAU-FZMZJTMJSA-N 1 0 346.818 3.327 20 5 EGBDRO CCN(c1ccc2c(ccc(Cl)c2[N+](=O)[O-])n1)[C@@H]1CCC[NH2+]C1 ZINC001158205739 1381157947 /nfs/dbraw/zinc/15/79/47/1381157947.db2.gz UJPAWUBUNOBOJG-LLVKDONJSA-N 1 0 334.807 3.375 20 5 EGBDRO COc1cnc(N2CCC[C@@H]([NH3+])c3cc(C)ccc32)c([N+](=O)[O-])c1 ZINC001158728563 1381371196 /nfs/dbraw/zinc/37/11/96/1381371196.db2.gz CHEXVLWNGLZBBU-CQSZACIVSA-N 1 0 328.372 3.239 20 5 EGBDRO COc1cc(N2CCC[C@H]([NH3+])c3cc(C)ccc32)ncc1[N+](=O)[O-] ZINC001158729669 1381372186 /nfs/dbraw/zinc/37/21/86/1381372186.db2.gz JGQYRVUXMGVFRJ-ZDUSSCGKSA-N 1 0 328.372 3.239 20 5 EGBDRO CCC(C)(C)CC(=O)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001158804945 1381406663 /nfs/dbraw/zinc/40/66/63/1381406663.db2.gz GETDNYIZJMNCPT-UHFFFAOYSA-N 1 0 327.450 3.079 20 5 EGBDRO CCOC(=O)c1cc(Nc2cccc(CC[NH3+])c2)cc([N+](=O)[O-])c1 ZINC001159672041 1381865173 /nfs/dbraw/zinc/86/51/73/1381865173.db2.gz NTTOAWSAJQIBIQ-UHFFFAOYSA-N 1 0 329.356 3.016 20 5 EGBDRO O=[N+]([O-])c1ccc(Nc2cc(F)ccc2OCC2CC[NH2+]CC2)cn1 ZINC001159889395 1381928745 /nfs/dbraw/zinc/92/87/45/1381928745.db2.gz FMDXCLAXLCAJHX-UHFFFAOYSA-N 1 0 346.362 3.251 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(-n2c3ccccc3c3c2C[C@@H]([NH3+])CC3)n1 ZINC001159950582 1381947490 /nfs/dbraw/zinc/94/74/90/1381947490.db2.gz YSOVUCXUQUAKPU-ZDUSSCGKSA-N 1 0 336.395 3.367 20 5 EGBDRO [NH3+][C@H]1CCCN(c2ccccc2Nc2cccc([N+](=O)[O-])c2F)C1 ZINC001159978109 1381957140 /nfs/dbraw/zinc/95/71/40/1381957140.db2.gz JADDXUKSRNLDEG-LBPRGKRZSA-N 1 0 330.363 3.405 20 5 EGBDRO Nc1cccc(F)c1N(c1cc(F)cc([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC001160047476 1381980491 /nfs/dbraw/zinc/98/04/91/1381980491.db2.gz VHQMAODJEHOSIG-UHFFFAOYSA-N 1 0 348.353 3.345 20 5 EGBDRO Cc1ccc(Nc2c(F)cccc2N2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC001160063089 1381986728 /nfs/dbraw/zinc/98/67/28/1381986728.db2.gz PQVSRYVLESEOHQ-UHFFFAOYSA-N 1 0 330.363 3.196 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1Nc1cccc(F)c1N1CC[NH2+]CC1 ZINC001160113796 1382000883 /nfs/dbraw/zinc/00/08/83/1382000883.db2.gz DWDULFHMNYVJHU-UHFFFAOYSA-N 1 0 330.363 3.196 20 5 EGBDRO [NH3+]Cc1ccc2cn(-c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)nc2c1 ZINC001160143579 1382015664 /nfs/dbraw/zinc/01/56/64/1382015664.db2.gz SGXBXSHNJRFSAM-UHFFFAOYSA-N 1 0 345.362 3.454 20 5 EGBDRO O=[N+]([O-])c1cc(F)cc(Nc2ccc(O[C@@H]3CC[NH2+]C3)c(F)c2)c1 ZINC001160164766 1382022229 /nfs/dbraw/zinc/02/22/29/1382022229.db2.gz MKJXOJDEIKACDB-CQSZACIVSA-N 1 0 335.310 3.357 20 5 EGBDRO Nc1ccc(Nc2ccccc2O[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC001160232525 1382042341 /nfs/dbraw/zinc/04/23/41/1382042341.db2.gz DHQNYQZEKHRWSY-CYBMUJFWSA-N 1 0 328.372 3.051 20 5 EGBDRO COc1nc(Nc2ccc(C[NH3+])cc2C(F)(F)F)ccc1[N+](=O)[O-] ZINC001160417852 1382099348 /nfs/dbraw/zinc/09/93/48/1382099348.db2.gz LOAZBVMJUPGQCB-UHFFFAOYSA-N 1 0 342.277 3.220 20 5 EGBDRO CN(C(=O)[C@@H]([NH3+])Cc1c2ccccc2cc2ccccc21)C1(C)COC1 ZINC001160668196 1382165416 /nfs/dbraw/zinc/16/54/16/1382165416.db2.gz QLOVOWZJZXPXIM-FQEVSTJZSA-N 1 0 348.446 3.110 20 5 EGBDRO Cc1cc(N[C@@H]2CCC[C@@H]([NH3+])C2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001162393912 1382746470 /nfs/dbraw/zinc/74/64/70/1382746470.db2.gz NEAOGSDGASWTNP-ZIAGYGMSSA-N 1 0 327.388 3.042 20 5 EGBDRO C[C@H]1C[NH2+]CCC[C@H]1CNc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC001162455472 1382761901 /nfs/dbraw/zinc/76/19/01/1382761901.db2.gz DEYHZPPXIGMYOV-UWVGGRQHSA-N 1 0 332.326 3.056 20 5 EGBDRO CCOc1cc([N+](=O)[O-])ccc1-n1c2ccccc2nc1[C@H](C)[NH3+] ZINC001162764984 1382864589 /nfs/dbraw/zinc/86/45/89/1382864589.db2.gz CEYWJNNOKBQUTF-NSHDSACASA-N 1 0 326.356 3.352 20 5 EGBDRO CN(C)c1ccc(N[C@@H]2CC[NH2+][C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC001163215289 1382995131 /nfs/dbraw/zinc/99/51/31/1382995131.db2.gz JSDOUCTXCNLNBH-AEFFLSMTSA-N 1 0 326.400 3.176 20 5 EGBDRO c1ccc2cc3c(cc2c1)ncnc3NC[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001163277868 1383012057 /nfs/dbraw/zinc/01/20/57/1383012057.db2.gz HPDATEBUHDWFOU-BTYIYWSLSA-N 1 0 348.450 3.354 20 5 EGBDRO COc1cccc([C@@H](C[NH3+])Nc2ccc3ccc([N+](=O)[O-])cc3n2)c1 ZINC001163306114 1383017410 /nfs/dbraw/zinc/01/74/10/1383017410.db2.gz LJULVOPQBWVLTJ-QGZVFWFLSA-N 1 0 338.367 3.264 20 5 EGBDRO CC(C)[N@@H+]1CC[C@H](Nc2cnc3ccc([N+](=O)[O-])cc3n2)[C@@H](C)C1 ZINC001163361975 1383030989 /nfs/dbraw/zinc/03/09/89/1383030989.db2.gz LPZYDAFPZDDXCS-JSGCOSHPSA-N 1 0 329.404 3.069 20 5 EGBDRO CC[N+](C)(C)Cc1ccccc1N[C@@H]1CCc2[nH]c(=O)ccc2C1 ZINC001163555476 1383077662 /nfs/dbraw/zinc/07/76/62/1383077662.db2.gz PAZGQMFAWSVBMO-QGZVFWFLSA-O 1 0 326.464 3.353 20 5 EGBDRO Cc1c(C)c(N2CC[N@@H+](C)C[C@H]2c2ccccc2)ncc1[N+](=O)[O-] ZINC001163671928 1383101781 /nfs/dbraw/zinc/10/17/81/1383101781.db2.gz HTUVTHXDWVYPSH-KRWDZBQOSA-N 1 0 326.400 3.100 20 5 EGBDRO CC[N@@H+]1CCCN(c2cc3ccc(Cl)nc3cc2[N+](=O)[O-])CC1 ZINC001163772221 1383120736 /nfs/dbraw/zinc/12/07/36/1383120736.db2.gz IKUFOMOFSUTFGP-UHFFFAOYSA-N 1 0 334.807 3.328 20 5 EGBDRO CC(C)(C)C(C)(C)C(=O)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001163977684 1383142484 /nfs/dbraw/zinc/14/24/84/1383142484.db2.gz PHTFDMUCMCSBBR-UHFFFAOYSA-N 1 0 341.477 3.325 20 5 EGBDRO C[C@H]1CC[C@@H](C[NH3+])CN1c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC001164475450 1383190631 /nfs/dbraw/zinc/19/06/31/1383190631.db2.gz ZZTDTHKJRPMFAT-KBPBESRZSA-N 1 0 326.400 3.220 20 5 EGBDRO Cc1nc(N2C[C@H]3CC[N@H+](Cc4ccccc4)[C@H]3C2)ccc1[N+](=O)[O-] ZINC001165090771 1383226980 /nfs/dbraw/zinc/22/69/80/1383226980.db2.gz ZQLQODRZCZFGQY-AEFFLSMTSA-N 1 0 338.411 3.009 20 5 EGBDRO O=[N+]([O-])c1c(Cl)ccc2nc(N3CC[C@]4(C3)CCC[NH2+]C4)ccc21 ZINC001165239001 1383255895 /nfs/dbraw/zinc/25/58/95/1383255895.db2.gz KVBBTRVWPNEHGD-QGZVFWFLSA-N 1 0 346.818 3.376 20 5 EGBDRO C[NH+](C)CCOc1cc(NCCc2ccsc2)ccc1[N+](=O)[O-] ZINC001166851069 1383487503 /nfs/dbraw/zinc/48/75/03/1383487503.db2.gz YWFVVQVGIMRJJQ-UHFFFAOYSA-N 1 0 335.429 3.251 20 5 EGBDRO Cc1cc(-n2ccnc2[C@@H]2CCC[NH2+]C2)nc2ccc([N+](=O)[O-])cc12 ZINC001167056377 1383529085 /nfs/dbraw/zinc/52/90/85/1383529085.db2.gz MSSCUHGMQUHSRO-CYBMUJFWSA-N 1 0 337.383 3.104 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(-n2c3ccc(F)cc3c3c2CC[NH2+]C3)n1 ZINC001167087092 1383536691 /nfs/dbraw/zinc/53/66/91/1383536691.db2.gz IHCRYDOREUVHPI-UHFFFAOYSA-N 1 0 340.358 3.335 20 5 EGBDRO C[NH2+]Cc1c(C)nn(-c2ccc3c(ccc(Cl)c3[N+](=O)[O-])n2)c1C ZINC001167099128 1383538730 /nfs/dbraw/zinc/53/87/30/1383538730.db2.gz MMDFDXUJYXDMHT-UHFFFAOYSA-N 1 0 345.790 3.318 20 5 EGBDRO [NH3+]Cc1cccn1-c1cc([N+](=O)[O-])cc2cc(Br)cnc21 ZINC001167593136 1383683899 /nfs/dbraw/zinc/68/38/99/1383683899.db2.gz LNOQJXPQJCYZGU-UHFFFAOYSA-N 1 0 347.172 3.155 20 5 EGBDRO [NH3+]Cc1ccc2ncn(-c3nc(-c4ccccc4)ccc3[N+](=O)[O-])c2c1 ZINC001168841295 1384028672 /nfs/dbraw/zinc/02/86/72/1384028672.db2.gz QQKYAHXUQOHTSV-UHFFFAOYSA-N 1 0 345.362 3.454 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCc3ccc(Br)cc32)C1 ZINC001168963944 1384072963 /nfs/dbraw/zinc/07/29/63/1384072963.db2.gz QSJXYVFLOOUOBZ-WDBKCZKBSA-N 1 0 339.233 3.471 20 5 EGBDRO COc1ccc(-c2nc(C[NH2+][C@@H]3CC[C@H](C[N+](=O)[O-])C3)cs2)cc1 ZINC001168970963 1384074439 /nfs/dbraw/zinc/07/44/39/1384074439.db2.gz JIXXRMIKPJOBTM-GXTWGEPZSA-N 1 0 347.440 3.354 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2cc(F)ccc2Br)C1 ZINC001168975823 1384076540 /nfs/dbraw/zinc/07/65/40/1384076540.db2.gz XJNVSTTYPVYMDE-CABZTGNLSA-N 1 0 331.185 3.123 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H](CO)c2cc(Cl)cc(Cl)c2)C1 ZINC001168980262 1384077395 /nfs/dbraw/zinc/07/73/95/1384077395.db2.gz CMFNJEDJKBEQNO-OWYVNGRQSA-N 1 0 333.215 3.062 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H](CO)c2cc(Cl)cc(Cl)c2)C1 ZINC001168980258 1384077803 /nfs/dbraw/zinc/07/78/03/1384077803.db2.gz CMFNJEDJKBEQNO-FZQKWOKYSA-N 1 0 333.215 3.062 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2ccc(C3(C(F)(F)F)N=N3)cc2)C1 ZINC001168985664 1384079284 /nfs/dbraw/zinc/07/92/84/1384079284.db2.gz UTIRYCXRHMHEPE-YPMHNXCESA-N 1 0 342.321 3.403 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H](c2ccc(F)cc2)C2CCOCC2)C1 ZINC001168986764 1384080327 /nfs/dbraw/zinc/08/03/27/1384080327.db2.gz ZAWXSTXNCUCWCF-JEBQAFNWSA-N 1 0 336.407 3.328 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H]2C[C@H]2c2ccc(Br)cc2)C1 ZINC001169006158 1384085784 /nfs/dbraw/zinc/08/57/84/1384085784.db2.gz FMSJLLGXSUITAK-KJEVXHAQSA-N 1 0 339.233 3.340 20 5 EGBDRO CC(C)(C)OC(=O)Cc1cccc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001169007267 1384086356 /nfs/dbraw/zinc/08/63/56/1384086356.db2.gz MDDWFPZCUVEDAJ-SJORKVTESA-N 1 0 348.443 3.106 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2C[C@H]3CCC[C@@]3(COc3cccnc3)C2)C1 ZINC001169025251 1384092171 /nfs/dbraw/zinc/09/21/71/1384092171.db2.gz SYSVKVIESPKMQP-FAJBIJEISA-N 1 0 345.443 3.008 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2C[C@H]3CCC[C@@]3(COc3cccnc3)C2)C1 ZINC001169025254 1384092694 /nfs/dbraw/zinc/09/26/94/1384092694.db2.gz SYSVKVIESPKMQP-VXNCWWDNSA-N 1 0 345.443 3.008 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCC3(C[C@@H](c4ccccc4)CO3)CC2)C1 ZINC001169025682 1384092983 /nfs/dbraw/zinc/09/29/83/1384092983.db2.gz UCFARFSYXAYJCE-QRQLOZEOSA-N 1 0 344.455 3.471 20 5 EGBDRO CC(=O)C1(c2ccccc2)CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169038004 1384097092 /nfs/dbraw/zinc/09/70/92/1384097092.db2.gz UZXBJKZLYKZBQL-AEFFLSMTSA-N 1 0 330.428 3.055 20 5 EGBDRO CC[C@H]1CN(Cc2ccccc2)CC[N@@H+]1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169046822 1384100072 /nfs/dbraw/zinc/10/00/72/1384100072.db2.gz NMTNFRXBWHEYGT-FHWLQOOXSA-N 1 0 331.460 3.028 20 5 EGBDRO C[N@H+](Cc1cccc(OC(F)(F)F)c1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169053202 1384100930 /nfs/dbraw/zinc/10/09/30/1384100930.db2.gz IEIFUULFSQMAKO-CHWSQXEVSA-N 1 0 332.322 3.462 20 5 EGBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)c1 ZINC001169151397 1384115185 /nfs/dbraw/zinc/11/51/85/1384115185.db2.gz JFUOTHNEDIOADG-SCLBCKFNSA-N 1 0 349.431 3.337 20 5 EGBDRO COC(=O)c1cc(N[C@@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)cc([N+](=O)[O-])c1 ZINC001169153432 1384116418 /nfs/dbraw/zinc/11/64/18/1384116418.db2.gz SSSOTGYGKVRGDP-KDOFPFPSSA-N 1 0 349.431 3.337 20 5 EGBDRO [NH3+]Cc1cccc2c1cnn2-c1cc(Cl)ccc1/C=C/[N+](=O)[O-] ZINC001169193125 1384121487 /nfs/dbraw/zinc/12/14/87/1384121487.db2.gz UOYBQMJRDMQBTE-VOTSOKGWSA-N 1 0 328.759 3.385 20 5 EGBDRO [NH3+]Cc1cccc2c1cnn2-c1ncc(F)c2cc([N+](=O)[O-])ccc21 ZINC001169193753 1384121566 /nfs/dbraw/zinc/12/15/66/1384121566.db2.gz ZTIWDBDVYBLENP-UHFFFAOYSA-N 1 0 337.314 3.080 20 5 EGBDRO CCC(CC)(CC)C(=O)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001169314474 1384135254 /nfs/dbraw/zinc/13/52/54/1384135254.db2.gz ZLXGDIBSYRJWMT-UHFFFAOYSA-N 1 0 341.477 3.469 20 5 EGBDRO COc1ccc(C[C@@H](C)NC(=[NH2+])c2cc(F)cc(F)c2)c([N+](=O)[O-])c1 ZINC001170297853 1384285009 /nfs/dbraw/zinc/28/50/09/1384285009.db2.gz UMPURYUFBBDSQN-SNVBAGLBSA-N 1 0 349.337 3.428 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+]C2Cc3ccccc3C2)c([N+](=O)[O-])c1 ZINC001170299162 1384285116 /nfs/dbraw/zinc/28/51/16/1384285116.db2.gz RLTUUKYNZVQYBI-ZDUSSCGKSA-N 1 0 326.396 3.291 20 5 EGBDRO COc1ccc(C[C@@H](C)N2CC[C@H]([NH3+])c3ccccc32)c([N+](=O)[O-])c1 ZINC001170305818 1384287079 /nfs/dbraw/zinc/28/70/79/1384287079.db2.gz QFQWNWBQIPDQIO-DYVFJYSZSA-N 1 0 341.411 3.445 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+]Cc2ncccc2Cl)c([N+](=O)[O-])c1 ZINC001170307491 1384287325 /nfs/dbraw/zinc/28/73/25/1384287325.db2.gz GLAIDZXWSUDQDB-NSHDSACASA-N 1 0 335.791 3.373 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+]Cc2ccc3ncoc3c2)c([N+](=O)[O-])c1 ZINC001170313004 1384288813 /nfs/dbraw/zinc/28/88/13/1384288813.db2.gz ICNKHAHNDVVDEX-LBPRGKRZSA-N 1 0 341.367 3.465 20 5 EGBDRO COc1ccc(C[C@@H](C)Nc2cccc(CC[NH3+])c2)c([N+](=O)[O-])c1 ZINC001170318908 1384290004 /nfs/dbraw/zinc/29/00/04/1384290004.db2.gz SBXTWNLTVZWWLE-CYBMUJFWSA-N 1 0 329.400 3.148 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+]C2(c3ccc(N)cc3)CC2)c([N+](=O)[O-])c1 ZINC001170329012 1384291987 /nfs/dbraw/zinc/29/19/87/1384291987.db2.gz NAYMKEDBZHWWRJ-CYBMUJFWSA-N 1 0 341.411 3.396 20 5 EGBDRO COc1ccc(C[C@@H](C)[N@H+]2C[C@H]3[C@H](CC3(F)F)C2)c([N+](=O)[O-])c1 ZINC001170335926 1384294315 /nfs/dbraw/zinc/29/43/15/1384294315.db2.gz RFMSTJXFVLIXFR-QKCSRTOESA-N 1 0 326.343 3.121 20 5 EGBDRO COc1ccc(C[C@@H](C)N2CCn3cccc3[C@H]2C)c([N+](=O)[O-])c1 ZINC001170352800 1384298197 /nfs/dbraw/zinc/29/81/97/1384298197.db2.gz QPWWUALNXLBIEO-ZIAGYGMSSA-N 1 0 329.400 3.413 20 5 EGBDRO COc1ccc(C[C@H](C)[N@@H+]2CC[C@@H](COCC3CC3)C2)c([N+](=O)[O-])c1 ZINC001170352420 1384298544 /nfs/dbraw/zinc/29/85/44/1384298544.db2.gz NFWJLUUVOARYDD-GOEBONIOSA-N 1 0 348.443 3.283 20 5 EGBDRO CC(C)([NH2+]CCOC(=O)Cc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC001170650666 1384356708 /nfs/dbraw/zinc/35/67/08/1384356708.db2.gz OTBDKLAXOKESFP-UHFFFAOYSA-N 1 0 342.395 3.205 20 5 EGBDRO COc1cccc(-n2c3ccccc3c3c2C[C@H]([NH3+])CC3)c1[N+](=O)[O-] ZINC001171094217 1384444637 /nfs/dbraw/zinc/44/46/37/1384444637.db2.gz OOGCQUCKHYEGJR-GFCCVEGCSA-N 1 0 337.379 3.363 20 5 EGBDRO CCOc1cc([N+](=O)[O-])ccc1-n1c(CC[NH3+])cc2ccccc21 ZINC001171304701 1384490330 /nfs/dbraw/zinc/49/03/30/1384490330.db2.gz LHCNNRCUKNBEJP-UHFFFAOYSA-N 1 0 325.368 3.439 20 5 EGBDRO [NH3+]C[C@H]1COc2ccccc2N1c1ccc2cc([N+](=O)[O-])ccc2n1 ZINC001171389504 1384510503 /nfs/dbraw/zinc/51/05/03/1384510503.db2.gz MHPNRGPTMGUNMD-AWEZNQCLSA-N 1 0 336.351 3.001 20 5 EGBDRO O=C(NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccccc1Cl ZINC001171808028 1384644621 /nfs/dbraw/zinc/64/46/21/1384644621.db2.gz PFPHYPRYGQUTMX-UHFFFAOYSA-N 1 0 347.802 3.158 20 5 EGBDRO COc1cccc(CC[NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)n1 ZINC001172896665 1384873943 /nfs/dbraw/zinc/87/39/43/1384873943.db2.gz QOCTYGKFMIZSKP-MRXNPFEDSA-N 1 0 341.411 3.078 20 5 EGBDRO Cc1cccc([C@@H](CO)[NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)c1 ZINC001172899963 1384874206 /nfs/dbraw/zinc/87/42/06/1384874206.db2.gz AQXKBGMAOJDYCO-AZUAARDMSA-N 1 0 340.423 3.474 20 5 EGBDRO COc1cncc(C[NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)c1 ZINC001172899492 1384874308 /nfs/dbraw/zinc/87/43/08/1384874308.db2.gz CCGRKLXKNBOTJH-INIZCTEOSA-N 1 0 327.384 3.036 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]CCCc1cccnc1)CC2 ZINC001172900813 1384874386 /nfs/dbraw/zinc/87/43/86/1384874386.db2.gz FZTPTIFAFLFLDW-SFHVURJKSA-N 1 0 325.412 3.460 20 5 EGBDRO Cc1ccnc(CC[NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)c1 ZINC001172911546 1384876003 /nfs/dbraw/zinc/87/60/03/1384876003.db2.gz JJTJIVISWVDXJB-QGZVFWFLSA-N 1 0 325.412 3.378 20 5 EGBDRO C[N@H+](CCc1cccnc1)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172912895 1384877169 /nfs/dbraw/zinc/87/71/69/1384877169.db2.gz CMLRAGPZABIZDQ-GOSISDBHSA-N 1 0 325.412 3.412 20 5 EGBDRO CC[C@H](C)[C@@H](C(=O)OC)[N@H+](C)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172921869 1384879628 /nfs/dbraw/zinc/87/96/28/1384879628.db2.gz VCUNOPCUHXRHME-OWQGQXMQSA-N 1 0 348.443 3.362 20 5 EGBDRO C[NH2+]Cc1c(C)nn([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)c1C ZINC001172921753 1384880125 /nfs/dbraw/zinc/88/01/25/1384880125.db2.gz SGKYEZSEJYCILE-INIZCTEOSA-N 1 0 328.416 3.248 20 5 EGBDRO CC(C)CC[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173007441 1384897799 /nfs/dbraw/zinc/89/77/99/1384897799.db2.gz PITLHOCVWQHTLJ-UHFFFAOYSA-N 1 0 327.375 3.478 20 5 EGBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH2+]Cc3ccncc3)CC2)c(F)c1 ZINC001173007728 1384897950 /nfs/dbraw/zinc/89/79/50/1384897950.db2.gz ZAOOBQIPSQMLKP-UHFFFAOYSA-N 1 0 348.353 3.027 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@H]2CCc3cccnc32)c1F ZINC001173183583 1384932508 /nfs/dbraw/zinc/93/25/08/1384932508.db2.gz CCEVUTIBVOTONQ-FZMZJTMJSA-N 1 0 345.374 3.346 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@H]2CC[C@@H](OC)CC2)c1F ZINC001173182604 1384932622 /nfs/dbraw/zinc/93/26/22/1384932622.db2.gz HZFGJGGYNRZQCD-RWMBFGLXSA-N 1 0 340.395 3.221 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+]2CC[C@@H](OC)C[C@H]2C)c1F ZINC001173192870 1384934206 /nfs/dbraw/zinc/93/42/06/1384934206.db2.gz LGMMJOWKTGGKND-FRRDWIJNSA-N 1 0 340.395 3.173 20 5 EGBDRO Cc1cccc2c1[C@H]([NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)N2 ZINC001173212579 1384936875 /nfs/dbraw/zinc/93/68/75/1384936875.db2.gz BDMNCTKEQWRTPR-PXAZEXFGSA-N 1 0 325.368 3.117 20 5 EGBDRO Cc1cccc2c1[C@H]([NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)N2 ZINC001173212581 1384936880 /nfs/dbraw/zinc/93/68/80/1384936880.db2.gz BDMNCTKEQWRTPR-SJCJKPOMSA-N 1 0 325.368 3.117 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cccc(OC2COC2)c1 ZINC001173214302 1384937232 /nfs/dbraw/zinc/93/72/32/1384937232.db2.gz AKYIGZNRVLSDRI-CQSZACIVSA-N 1 0 342.395 3.093 20 5 EGBDRO COc1ccc(OC)c(CC[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001173218539 1384937519 /nfs/dbraw/zinc/93/75/19/1384937519.db2.gz KMTOUFDJQWOXLD-CQSZACIVSA-N 1 0 344.411 3.375 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C/C=C/CNC(=O)OC(C)(C)C ZINC001173222600 1384939043 /nfs/dbraw/zinc/93/90/43/1384939043.db2.gz XHUAWBJIZZZDAJ-GJBLVYBDSA-N 1 0 349.431 3.196 20 5 EGBDRO CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+]([C@H](C)Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001173228883 1384940694 /nfs/dbraw/zinc/94/06/94/1384940694.db2.gz ZSSWYGRCVRRCHC-AYOQOUSVSA-N 1 0 348.443 3.186 20 5 EGBDRO Cc1nnc([C@H]2CCC[N@@H+]([C@@H](C)Cc3ccc([N+](=O)[O-])cc3)C2)o1 ZINC001173233857 1384941475 /nfs/dbraw/zinc/94/14/75/1384941475.db2.gz ZZRWVZXMWFWFHM-WFASDCNBSA-N 1 0 330.388 3.097 20 5 EGBDRO CC(C)CC(=O)N1CCC[N@@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173231856 1384941623 /nfs/dbraw/zinc/94/16/23/1384941623.db2.gz NZTAFTKATBHSHS-MRXNPFEDSA-N 1 0 347.459 3.106 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](Oc2ccncc2)C1 ZINC001173236874 1384942030 /nfs/dbraw/zinc/94/20/30/1384942030.db2.gz FPTNAVJOZNTMQK-HNAYVOBHSA-N 1 0 341.411 3.464 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H](O)c1ccc(F)c(F)c1 ZINC001173234987 1384942102 /nfs/dbraw/zinc/94/21/02/1384942102.db2.gz RLVWBWKNTMOEEY-GTNSWQLSSA-N 1 0 336.338 3.127 20 5 EGBDRO CC[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001336001050 1388986667 /nfs/dbraw/zinc/98/66/67/1388986667.db2.gz ONUXTQKBXRHVCE-WMZOPIPTSA-N 1 0 332.375 3.378 20 5 EGBDRO COc1ccc(Nc2cccc(N3CC[NH+](C)CC3)c2)cc1[N+](=O)[O-] ZINC001176364231 1385564885 /nfs/dbraw/zinc/56/48/85/1385564885.db2.gz VBZVRCSALPFPSK-UHFFFAOYSA-N 1 0 342.399 3.099 20 5 EGBDRO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC001318399009 1385670726 /nfs/dbraw/zinc/67/07/26/1385670726.db2.gz WMUZAWJCCRKNES-KGLIPLIRSA-N 1 0 347.440 3.412 20 5 EGBDRO CC[N@H+](C)[C@H](C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC001318905938 1385877491 /nfs/dbraw/zinc/87/74/91/1385877491.db2.gz FINRSBIQXODRHG-SFHVURJKSA-N 1 0 339.395 3.130 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC001319833621 1386324654 /nfs/dbraw/zinc/32/46/54/1386324654.db2.gz XHQUGVWROITZJL-UHFFFAOYSA-N 1 0 333.432 3.076 20 5 EGBDRO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CC[C@@H]3CCCC[C@H]3C1)OCCO2 ZINC001320475291 1386620530 /nfs/dbraw/zinc/62/05/30/1386620530.db2.gz LIOMYOPYEBCPAP-KBPBESRZSA-N 1 0 332.400 3.378 20 5 EGBDRO C[C@@H]1C[C@@H](C)N(c2ncnc3c(Cl)cc([N+](=O)[O-])cc32)C[C@H]1C[NH3+] ZINC001329674204 1389200234 /nfs/dbraw/zinc/20/02/34/1389200234.db2.gz XJYXKEQDSVNPLY-GMTAPVOTSA-N 1 0 349.822 3.001 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1[C@H]2CCC[NH2+][C@@H]2C1(C)C ZINC001337008084 1389235160 /nfs/dbraw/zinc/23/51/60/1389235160.db2.gz RWEIRKNUCKIZAV-RRQGHBQHSA-N 1 0 345.443 3.026 20 5 EGBDRO CC(=O)c1cc([N+](=O)[O-])ccc1NC1CCN(c2cc[nH+]cc2)CC1 ZINC001337442483 1389346540 /nfs/dbraw/zinc/34/65/40/1389346540.db2.gz HQBYPCRKMGJKDY-UHFFFAOYSA-N 1 0 340.383 3.273 20 5 EGBDRO CCC/C(C)=C/C(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001340882591 1390394695 /nfs/dbraw/zinc/39/46/95/1390394695.db2.gz RFJDUMWTBBUPFH-WYMLVPIESA-N 1 0 346.431 3.032 20 5 EGBDRO CC[NH+](CC)C1CCN(C(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC001341982836 1390557486 /nfs/dbraw/zinc/55/74/86/1390557486.db2.gz BGQMKGXXMHQYOX-MSOLQXFVSA-N 1 0 345.443 3.031 20 5 EGBDRO C[C@@H](NC(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC001342593159 1390630361 /nfs/dbraw/zinc/63/03/61/1390630361.db2.gz VFFVNXSADQBSTD-OGHNNQOOSA-N 1 0 327.384 3.108 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](CC[NH3+])Cc2ccccc21 ZINC001342875907 1390666518 /nfs/dbraw/zinc/66/65/18/1390666518.db2.gz PBPJHAJWIYKLIG-CQSZACIVSA-N 1 0 339.395 3.071 20 5 EGBDRO COc1c(O)ccc(C[NH2+][C@@H]2CCCC[C@H]2SC)c1[N+](=O)[O-] ZINC001343206189 1390699634 /nfs/dbraw/zinc/69/96/34/1390699634.db2.gz QXYWSLXJJKGDRR-DGCLKSJQSA-N 1 0 326.418 3.073 20 5 EGBDRO CCC[N@H+](CCNC(=O)C=C1CCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001753144216 1440323337 /nfs/dbraw/zinc/32/33/37/1440323337.db2.gz OLNFTONIURVURB-UHFFFAOYSA-N 1 0 331.416 3.033 20 5 EGBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1c1nc2ccccc2c(Cl)c1[N+](=O)[O-] ZINC001164634218 719188878 /nfs/dbraw/zinc/18/88/78/719188878.db2.gz ITHQWEDBAKKMNC-QWRGUYRKSA-N 1 0 334.807 3.325 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)c(Cl)nc1N1CC[NH+](C2CCCC2)CC1 ZINC001165029257 721854383 /nfs/dbraw/zinc/85/43/83/721854383.db2.gz WPZGINSXUVLXEA-UHFFFAOYSA-N 1 0 345.230 3.361 20 5 EGBDRO O=[N+]([O-])c1c(Cl)cc(Cl)nc1N1CC[NH+](C2CCCC2)CC1 ZINC001165028033 721855618 /nfs/dbraw/zinc/85/56/18/721855618.db2.gz HTHYBZZKSILOJD-UHFFFAOYSA-N 1 0 345.230 3.361 20 5 EGBDRO CC[C@H](NC1CC[NH+](C[C@H]2CCOC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000133055171 529585077 /nfs/dbraw/zinc/58/50/77/529585077.db2.gz QJJTZOSCXIUCHU-BEFAXECRSA-N 1 0 347.459 3.136 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)NCc2ccccc2)cc1[N+](=O)[O-] ZINC000178679280 232370696 /nfs/dbraw/zinc/37/06/96/232370696.db2.gz NRPHBOVXNLUMHC-GJZGRUSLSA-N 1 0 341.411 3.259 20 5 EGBDRO Cc1nccn1C[C@@H](C)C[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000178708198 232394346 /nfs/dbraw/zinc/39/43/46/232394346.db2.gz ZXNNEAZOQDYPKY-GJZGRUSLSA-N 1 0 330.432 3.347 20 5 EGBDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000179215872 232830849 /nfs/dbraw/zinc/83/08/49/232830849.db2.gz CFAWFMMKSSLQRC-MNOVXSKESA-N 1 0 333.413 3.009 20 5 EGBDRO COc1ccc(NC(=O)C[N@H+](C(C)C)C2CCCC2)c([N+](=O)[O-])c1 ZINC000068448940 215307470 /nfs/dbraw/zinc/30/74/70/215307470.db2.gz HUJSHVROHOZEKO-UHFFFAOYSA-N 1 0 335.404 3.195 20 5 EGBDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000068937249 215347163 /nfs/dbraw/zinc/34/71/63/215347163.db2.gz DZLUYVSLOFRHQE-CYBMUJFWSA-N 1 0 337.395 3.118 20 5 EGBDRO C[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H](C)c1ccccc1 ZINC000183383968 235038896 /nfs/dbraw/zinc/03/88/96/235038896.db2.gz IDIQTUJGERLHQZ-VYDXJSESSA-N 1 0 344.411 3.116 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+]CCNC(=O)c2ccccc2F)cc1[N+](=O)[O-] ZINC000130912500 223186657 /nfs/dbraw/zinc/18/66/57/223186657.db2.gz KOARKPSFIUMRDT-CYBMUJFWSA-N 1 0 345.374 3.123 20 5 EGBDRO Nc1ccc([N+](=O)[O-])c(NC2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000193384848 240140796 /nfs/dbraw/zinc/14/07/96/240140796.db2.gz RZWNERKLXZJDNJ-UHFFFAOYSA-N 1 0 340.427 3.296 20 5 EGBDRO CC(=O)Nc1cccc([C@@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000193575834 240218248 /nfs/dbraw/zinc/21/82/48/240218248.db2.gz GSRQMVWFSSRGIK-CYBMUJFWSA-N 1 0 343.383 3.283 20 5 EGBDRO CCCN(C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000236837174 242377191 /nfs/dbraw/zinc/37/71/91/242377191.db2.gz UHEFDRFVPQCCEA-UHFFFAOYSA-N 1 0 347.459 3.497 20 5 EGBDRO CC[C@H](NC(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000246723752 243301640 /nfs/dbraw/zinc/30/16/40/243301640.db2.gz WXKZYEWNLCYTFB-COXVUDFISA-N 1 0 348.447 3.028 20 5 EGBDRO O=[N+]([O-])c1ccc(Nc2cccc(C[NH+]3CCSCC3)c2)nc1 ZINC000078495511 217063726 /nfs/dbraw/zinc/06/37/26/217063726.db2.gz FCBRDHYWRGFXBF-UHFFFAOYSA-N 1 0 330.413 3.282 20 5 EGBDRO CCc1ccc(C(=O)N(CC(C)C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000266967997 248529803 /nfs/dbraw/zinc/52/98/03/248529803.db2.gz VWGNJKRBPYTIBB-UHFFFAOYSA-N 1 0 347.459 3.350 20 5 EGBDRO C[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC12CCC2 ZINC000408091245 169159839 /nfs/dbraw/zinc/15/98/39/169159839.db2.gz UPXYHOWOHBKITG-CYBMUJFWSA-N 1 0 332.400 3.473 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000091744818 218056720 /nfs/dbraw/zinc/05/67/20/218056720.db2.gz VNDYZPXXMSPEPE-CQSZACIVSA-N 1 0 335.448 3.226 20 5 EGBDRO Cc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000093281284 218211388 /nfs/dbraw/zinc/21/13/88/218211388.db2.gz ZHFCBFREJATJPB-MRXNPFEDSA-N 1 0 347.459 3.278 20 5 EGBDRO O=C(Nc1cccc(CC[NH+]2CCCC2)c1)c1ccccc1[N+](=O)[O-] ZINC000094123041 218265532 /nfs/dbraw/zinc/26/55/32/218265532.db2.gz OOXKQPJISRPPEG-UHFFFAOYSA-N 1 0 339.395 3.485 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[N@H+](CCCO[C@H]1CCCCO1)C1CC1 ZINC000338273632 285160283 /nfs/dbraw/zinc/16/02/83/285160283.db2.gz HMVAQKSDSQPNAX-SFHVURJKSA-N 1 0 334.416 3.493 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]Cc1cn2ccsc2n1)C1CC1 ZINC000358081105 285161898 /nfs/dbraw/zinc/16/18/98/285161898.db2.gz KQLUHBKIAGQSDQ-HNNXBMFYSA-N 1 0 342.424 3.415 20 5 EGBDRO O=[N+]([O-])c1ccn(C2CC[NH+]([C@@H]3CCc4ccc(F)cc43)CC2)n1 ZINC000365520050 285167880 /nfs/dbraw/zinc/16/78/80/285167880.db2.gz XOYQYERHNXUBCA-MRXNPFEDSA-N 1 0 330.363 3.255 20 5 EGBDRO Cc1c(NC(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000119737730 221389857 /nfs/dbraw/zinc/38/98/57/221389857.db2.gz MCPHAUUNBRKLFJ-HNNXBMFYSA-N 1 0 346.431 3.243 20 5 EGBDRO CC[NH+]1CCC(CCNC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000119817136 221407232 /nfs/dbraw/zinc/40/72/32/221407232.db2.gz ZVTPZQNTRXEOBH-UHFFFAOYSA-N 1 0 348.447 3.455 20 5 EGBDRO O=C(C[NH2+][C@H]1CCC[C@@H]1c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000155106957 224359200 /nfs/dbraw/zinc/35/92/00/224359200.db2.gz RBIWFQIFYLYIBA-CVEARBPZSA-N 1 0 339.395 3.459 20 5 EGBDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCC(=O)N2C)c1cccc([N+](=O)[O-])c1 ZINC000187133038 533450230 /nfs/dbraw/zinc/45/02/30/533450230.db2.gz GZBPCHGGDPPCJX-CYBMUJFWSA-N 1 0 339.395 3.355 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cccc(-n2cncn2)c1 ZINC000344820155 533408149 /nfs/dbraw/zinc/40/81/49/533408149.db2.gz GWZMEGZPUHUKEI-OVCLIPMQSA-N 1 0 349.394 3.369 20 5 EGBDRO C[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C[C@@H]1CCC[C@H]1O ZINC000246767441 141032806 /nfs/dbraw/zinc/03/28/06/141032806.db2.gz PTZXWSPVZCAHHW-SUMWQHHRSA-N 1 0 330.384 3.448 20 5 EGBDRO CC[N@@H+]1C[C@@H](C)N(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]1C ZINC000346189496 141176386 /nfs/dbraw/zinc/17/63/86/141176386.db2.gz JOGHFURJQLIIQK-ZIAGYGMSSA-N 1 0 344.415 3.164 20 5 EGBDRO O=C1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CN1c1ccccc1Cl ZINC000346267465 141188633 /nfs/dbraw/zinc/18/86/33/141188633.db2.gz SUIHMODXZNONAL-CYBMUJFWSA-N 1 0 345.786 3.143 20 5 EGBDRO C[C@@H]([NH2+][C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CCCOC1 ZINC000348146217 141238457 /nfs/dbraw/zinc/23/84/57/141238457.db2.gz ULMBODJWYOSGLM-MBNYWOFBSA-N 1 0 346.387 3.111 20 5 EGBDRO CCN(CC[NH+]1CCCCCC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000348153438 141239606 /nfs/dbraw/zinc/23/96/06/141239606.db2.gz YJYJVBVYZSRTBW-UHFFFAOYSA-N 1 0 334.420 3.325 20 5 EGBDRO CCC[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@H](C)c1ccccc1OC ZINC000350724280 141262780 /nfs/dbraw/zinc/26/27/80/141262780.db2.gz JRCNGQSRLSIWEW-CQSZACIVSA-N 1 0 332.404 3.273 20 5 EGBDRO CO[C@]1(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCOC1 ZINC000359626058 141389663 /nfs/dbraw/zinc/38/96/63/141389663.db2.gz UZFULOKJFKWKLG-KRWDZBQOSA-N 1 0 348.424 3.218 20 5 EGBDRO C[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C[NH+]1CCCC1 ZINC000047345245 142566150 /nfs/dbraw/zinc/56/61/50/142566150.db2.gz UFRLWZJJCGYPJX-LLVKDONJSA-N 1 0 340.811 3.102 20 5 EGBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000172481107 144022112 /nfs/dbraw/zinc/02/21/12/144022112.db2.gz ZJJXBOKUTSNGGA-OBJOEFQTSA-N 1 0 335.404 3.099 20 5 EGBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H]2Cc2ccccc2Cl)c1 ZINC000172722844 144026493 /nfs/dbraw/zinc/02/64/93/144026493.db2.gz GXHNZIZYMQHXQC-CQSZACIVSA-N 1 0 334.807 3.152 20 5 EGBDRO CCOc1ccccc1C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173471772 144042699 /nfs/dbraw/zinc/04/26/99/144042699.db2.gz KTCXLMZKLNDDOL-OAHLLOKOSA-N 1 0 342.399 3.075 20 5 EGBDRO CSc1ccc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000173468672 144042902 /nfs/dbraw/zinc/04/29/02/144042902.db2.gz RSPTZIAPBOITOS-CQSZACIVSA-N 1 0 344.440 3.398 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC2(CCCC2)C1 ZINC000173825598 144049552 /nfs/dbraw/zinc/04/95/52/144049552.db2.gz XIHDOBDOHFHVEM-UHFFFAOYSA-N 1 0 347.415 3.198 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000178690365 144075308 /nfs/dbraw/zinc/07/53/08/144075308.db2.gz IXGHULUUHFPWQX-CRAIPNDOSA-N 1 0 334.416 3.121 20 5 EGBDRO COc1cc(NCC[N@H+](C)Cc2ccccc2)c(F)cc1[N+](=O)[O-] ZINC000351477401 144266402 /nfs/dbraw/zinc/26/64/02/144266402.db2.gz QSDNRKYYORXPQH-UHFFFAOYSA-N 1 0 333.363 3.286 20 5 EGBDRO COC1CC[NH+](C2(CNc3ccccc3[N+](=O)[O-])CCCC2)CC1 ZINC000341105217 155160939 /nfs/dbraw/zinc/16/09/39/155160939.db2.gz UHRZFHPVXRVUOT-UHFFFAOYSA-N 1 0 333.432 3.430 20 5 EGBDRO Cc1ccc([C@@H]2CCC[C@@H]2[N@@H+](C)Cc2c([N+](=O)[O-])ncn2C)cc1 ZINC000370045123 292214417 /nfs/dbraw/zinc/21/44/17/292214417.db2.gz JOMRFEMLEXVXTK-HOTGVXAUSA-N 1 0 328.416 3.405 20 5 EGBDRO CC[C@@H]([NH2+]CCCN1C[C@@H](C)O[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000119926543 152238659 /nfs/dbraw/zinc/23/86/59/152238659.db2.gz ZOIYPBFYGVFJHD-RVKKMQEKSA-N 1 0 335.448 3.135 20 5 EGBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000174151341 152841623 /nfs/dbraw/zinc/84/16/23/152841623.db2.gz JLFFOICNQXIRKK-OAHLLOKOSA-N 1 0 347.459 3.449 20 5 EGBDRO CC(C)N(C(=O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000341588341 155371290 /nfs/dbraw/zinc/37/12/90/155371290.db2.gz JRHSGNIFKLLUGO-AWEZNQCLSA-N 1 0 333.432 3.425 20 5 EGBDRO C[C@@H](NC(=O)N[C@@H](C)C[NH+]1CCCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000188441842 153016776 /nfs/dbraw/zinc/01/67/76/153016776.db2.gz UHDDQLAFJTWARY-LSDHHAIUSA-N 1 0 348.447 3.220 20 5 EGBDRO C[C@@H]([NH2+]CCc1ccc2c(c1)OCCO2)c1ccc([N+](=O)[O-])cc1 ZINC000193233556 153283212 /nfs/dbraw/zinc/28/32/12/153283212.db2.gz LDYOQIWFPDRTAN-CYBMUJFWSA-N 1 0 328.368 3.259 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000245528201 292295005 /nfs/dbraw/zinc/29/50/05/292295005.db2.gz QKFUOYQHTAIGCH-SJORKVTESA-N 1 0 347.459 3.008 20 5 EGBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310971554 154144312 /nfs/dbraw/zinc/14/43/12/154144312.db2.gz RHZZSIAVVZHNDF-INIZCTEOSA-N 1 0 343.431 3.054 20 5 EGBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@@H]3CCCC[C@@H]3OC(F)F)nc2c1 ZINC000337377749 154319348 /nfs/dbraw/zinc/31/93/48/154319348.db2.gz BXOYGUIKGXAADG-YPMHNXCESA-N 1 0 340.330 3.111 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCCC[C@@H]1OC(F)F ZINC000337397010 154331233 /nfs/dbraw/zinc/33/12/33/154331233.db2.gz JCJXENKWXKPNMO-OLZOCXBDSA-N 1 0 330.331 3.243 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CC[C@]3(CCOC3)C2)o1 ZINC000093820293 162030152 /nfs/dbraw/zinc/03/01/52/162030152.db2.gz YDIFRGAHFCIVLL-SFHVURJKSA-N 1 0 328.368 3.467 20 5 EGBDRO CCc1nn(C)c(NCc2cccc(C[NH+](CC)CC)c2)c1[N+](=O)[O-] ZINC000094138727 162041216 /nfs/dbraw/zinc/04/12/16/162041216.db2.gz PHUDCCUWBGDEKE-UHFFFAOYSA-N 1 0 345.447 3.345 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CCCn3cccn3)cs2)c1 ZINC000113318865 162209155 /nfs/dbraw/zinc/20/91/55/162209155.db2.gz AWQOFTAYONZBCF-UHFFFAOYSA-N 1 0 343.412 3.095 20 5 EGBDRO CC[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000248906062 163045950 /nfs/dbraw/zinc/04/59/50/163045950.db2.gz ZZZFUSAAFXPWSF-OLZOCXBDSA-N 1 0 335.404 3.052 20 5 EGBDRO O=[N+]([O-])c1cc(C[NH2+][C@]2(CO)CCc3ccccc32)ccc1Cl ZINC000305166252 163076239 /nfs/dbraw/zinc/07/62/39/163076239.db2.gz OQJQYSSQEMWZEV-KRWDZBQOSA-N 1 0 332.787 3.172 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(N2CCC[C@H]([NH+]3[C@H](C)CC[C@H]3C)C2)c1 ZINC000338650569 163305794 /nfs/dbraw/zinc/30/57/94/163305794.db2.gz NSNGSHCFHAEVEH-KFWWJZLASA-N 1 0 333.432 3.445 20 5 EGBDRO COc1ccc(-c2ccc(C[NH2+]CC[C@@H](C)OC)o2)c([N+](=O)[O-])c1 ZINC000338710131 163326948 /nfs/dbraw/zinc/32/69/48/163326948.db2.gz PBTZJLVZPOKXOM-GFCCVEGCSA-N 1 0 334.372 3.378 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]Cc1ccc(Cn2cncn2)cc1 ZINC000338711867 163328034 /nfs/dbraw/zinc/32/80/34/163328034.db2.gz CSILXOMXBNVAMF-HYXAFXHYSA-N 1 0 349.394 3.038 20 5 EGBDRO CC(C)C[N@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C1CC1 ZINC000343689213 164013005 /nfs/dbraw/zinc/01/30/05/164013005.db2.gz LSJVTRYZLXIINR-UHFFFAOYSA-N 1 0 333.388 3.013 20 5 EGBDRO CCC[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)CC(C)C ZINC000343882242 164056482 /nfs/dbraw/zinc/05/64/82/164056482.db2.gz JHFWFWFUFUAFRO-UHFFFAOYSA-N 1 0 335.404 3.261 20 5 EGBDRO CC[C@@]1(C)CC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000344208034 164127587 /nfs/dbraw/zinc/12/75/87/164127587.db2.gz BKIRHMVHKRSVAI-KRWDZBQOSA-N 1 0 333.388 3.015 20 5 EGBDRO C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCCN1C ZINC000344318300 164155130 /nfs/dbraw/zinc/15/51/30/164155130.db2.gz AMCHKVKSDLLHSD-GUYCJALGSA-N 1 0 329.400 3.427 20 5 EGBDRO CC[NH+](CC)CCN(CC(C)C)C(=O)c1cc([N+](=O)[O-])ccc1C ZINC000345872685 164284277 /nfs/dbraw/zinc/28/42/77/164284277.db2.gz FEUFSWRVPRLXMH-UHFFFAOYSA-N 1 0 335.448 3.343 20 5 EGBDRO [NH3+][C@@H]1CCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000346083134 164333030 /nfs/dbraw/zinc/33/30/30/164333030.db2.gz FZPFTRQXNIDCTA-LLVKDONJSA-N 1 0 335.791 3.431 20 5 EGBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000352011876 165192653 /nfs/dbraw/zinc/19/26/53/165192653.db2.gz CXQVNFCJQQSGGO-ZDUSSCGKSA-N 1 0 339.386 3.037 20 5 EGBDRO CCC[C@@H]([NH2+]C[C@@H](C(C)C)N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000359686973 167209430 /nfs/dbraw/zinc/20/94/30/167209430.db2.gz PDUQYWGUVZJVER-MOPGFXCFSA-N 1 0 349.475 3.382 20 5 EGBDRO Cc1cc(C(=O)N[C@@H](C[NH+](C)C)c2ccc(F)cc2)cc([N+](=O)[O-])c1 ZINC000359793641 167233810 /nfs/dbraw/zinc/23/38/10/167233810.db2.gz OFRSBWKIWSTQHS-KRWDZBQOSA-N 1 0 345.374 3.075 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCc2c[nH]nc2C1 ZINC000366827123 168145123 /nfs/dbraw/zinc/14/51/23/168145123.db2.gz WDMYFHHTAPKKHM-XKQJLSEDSA-N 1 0 340.427 3.176 20 5 EGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](C[C@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000367463951 168229889 /nfs/dbraw/zinc/22/98/89/168229889.db2.gz PFDKJMUNHNUNGB-ZIAGYGMSSA-N 1 0 349.387 3.142 20 5 EGBDRO Cc1cc(NC(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000157277653 224799826 /nfs/dbraw/zinc/79/98/26/224799826.db2.gz FXHNIMIJNPHSFN-OAHLLOKOSA-N 1 0 346.431 3.243 20 5 EGBDRO Cc1ccc(NC(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)cc1[N+](=O)[O-] ZINC000164184022 226052262 /nfs/dbraw/zinc/05/22/62/226052262.db2.gz GZYHCLQYOMKGSG-AWEZNQCLSA-N 1 0 334.420 3.003 20 5 EGBDRO C[N@@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)C[C@@H]1CCCOC1 ZINC000123016279 222201410 /nfs/dbraw/zinc/20/14/10/222201410.db2.gz PXGRKDGRJVPKNH-LBPRGKRZSA-N 1 0 343.221 3.216 20 5 EGBDRO C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000123279435 222247836 /nfs/dbraw/zinc/24/78/36/222247836.db2.gz DEKZQUNNRQXLGP-OAHLLOKOSA-N 1 0 341.411 3.169 20 5 EGBDRO O=C(NCCCCC[NH+]1CCCCC1)c1csc([N+](=O)[O-])c1 ZINC000171889871 227340525 /nfs/dbraw/zinc/34/05/25/227340525.db2.gz LECPUVZYHSTRJG-UHFFFAOYSA-N 1 0 325.434 3.042 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@H](C)C1CCCCC1 ZINC000174142928 265027843 /nfs/dbraw/zinc/02/78/43/265027843.db2.gz RJVBBVQFJKABOT-OLZOCXBDSA-N 1 0 349.431 3.489 20 5 EGBDRO C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000178775006 265340630 /nfs/dbraw/zinc/34/06/30/265340630.db2.gz IWDWSPIUIWDMBT-QLFBSQMISA-N 1 0 333.432 3.205 20 5 EGBDRO Cc1cc(NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000193514913 266039337 /nfs/dbraw/zinc/03/93/37/266039337.db2.gz ZOEGHZQDGRGTQR-UHFFFAOYSA-N 1 0 334.420 3.334 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CCCOC(F)F)cs2)c1 ZINC000193667772 266051444 /nfs/dbraw/zinc/05/14/44/266051444.db2.gz GIBIQQFJHZGWLH-UHFFFAOYSA-N 1 0 343.355 3.437 20 5 EGBDRO C[C@@H]1CCCC[N@@H+]1CCCNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000193677904 266052697 /nfs/dbraw/zinc/05/26/97/266052697.db2.gz VPBNECVMCXDXPY-CYBMUJFWSA-N 1 0 346.431 3.156 20 5 EGBDRO C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCc2ccccc2C1 ZINC000269626884 266330005 /nfs/dbraw/zinc/33/00/05/266330005.db2.gz CVJJDGURBDXCCT-MJGOQNOKSA-N 1 0 326.396 3.118 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@H](c3ccccc3F)C2)c1 ZINC000269659416 266335823 /nfs/dbraw/zinc/33/58/23/266335823.db2.gz PQMXBTMMTSPYDB-KBXCAEBGSA-N 1 0 330.359 3.257 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@H](c3ccc(F)cc3)C2)c1 ZINC000269673343 266340270 /nfs/dbraw/zinc/34/02/70/266340270.db2.gz VKQSKYKFBHCYLO-MAUKXSAKSA-N 1 0 330.359 3.257 20 5 EGBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000270997862 266586957 /nfs/dbraw/zinc/58/69/57/266586957.db2.gz LHLLWQMXYASWDC-LLVKDONJSA-N 1 0 339.823 3.051 20 5 EGBDRO C[C@H]1C[C@H](C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CCO1 ZINC000271530226 266681159 /nfs/dbraw/zinc/68/11/59/266681159.db2.gz RGRXJENUZGHBOA-WDEREUQCSA-N 1 0 330.331 3.101 20 5 EGBDRO C[C@@H](CCNC(=O)Nc1ccc([N+](=O)[O-])cc1F)[NH+]1CCCCC1 ZINC000273451153 267041766 /nfs/dbraw/zinc/04/17/66/267041766.db2.gz LGGDTJDHZGIPTR-LBPRGKRZSA-N 1 0 338.383 3.120 20 5 EGBDRO COc1cc(C[NH2+][C@@H]2CSC[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000352795764 274094443 /nfs/dbraw/zinc/09/44/43/274094443.db2.gz FFPZPKFLVQNURH-WCBMZHEXSA-N 1 0 348.371 3.046 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(-n3ccnc3)nc1)CCC2 ZINC000373921243 275037958 /nfs/dbraw/zinc/03/79/58/275037958.db2.gz IHWZCGBDGXWZKI-SFHVURJKSA-N 1 0 349.394 3.343 20 5 EGBDRO C[C@@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)C[NH+]1CCCC1 ZINC000047919955 275144079 /nfs/dbraw/zinc/14/40/79/275144079.db2.gz WEKUITCTEGASHW-LBPRGKRZSA-N 1 0 347.440 3.271 20 5 EGBDRO CCCNC(=O)CC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000102423859 275158760 /nfs/dbraw/zinc/15/87/60/275158760.db2.gz PGGBNMXQVUDRTA-UHFFFAOYSA-N 1 0 347.440 3.329 20 5 EGBDRO CC1(C)C[C@H]([NH2+]CCCO[C@H]2CCOC2)c2cc([N+](=O)[O-])ccc21 ZINC000279084952 275302574 /nfs/dbraw/zinc/30/25/74/275302574.db2.gz MZFHCHQOYUHOAC-YOEHRIQHSA-N 1 0 334.416 3.102 20 5 EGBDRO COC(=O)N1CCC([NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000279193506 275311381 /nfs/dbraw/zinc/31/13/81/275311381.db2.gz WOSWHGBJVFODPW-MRXNPFEDSA-N 1 0 347.415 3.138 20 5 EGBDRO CC(=O)c1cc(NC2CC[NH+](CCOC(C)C)CC2)ccc1[N+](=O)[O-] ZINC000283754474 275749414 /nfs/dbraw/zinc/74/94/14/275749414.db2.gz LSVAIMILJNEKTM-UHFFFAOYSA-N 1 0 349.431 3.099 20 5 EGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@H]2CCO[C@@H]2c2cccnc2)c1 ZINC000284875907 275832595 /nfs/dbraw/zinc/83/25/95/275832595.db2.gz GGMFQXXQZCUIQV-JKSUJKDBSA-N 1 0 333.775 3.263 20 5 EGBDRO Nc1ccc(NC[C@H](c2cccs2)[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000285788857 275912491 /nfs/dbraw/zinc/91/24/91/275912491.db2.gz XHPYIRDWDXRMFA-OAHLLOKOSA-N 1 0 332.429 3.488 20 5 EGBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000286416237 275996907 /nfs/dbraw/zinc/99/69/07/275996907.db2.gz QRCQXWRGGMUDJH-WCQYABFASA-N 1 0 341.358 3.259 20 5 EGBDRO CCCN(CC[NH+]1CCCC1)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000287148818 276089386 /nfs/dbraw/zinc/08/93/86/276089386.db2.gz GDCQHKBMENVIHK-UHFFFAOYSA-N 1 0 344.415 3.024 20 5 EGBDRO CCCN(CC[NH+]1CCCC1)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000287232498 276099043 /nfs/dbraw/zinc/09/90/43/276099043.db2.gz JDVUPTRZJXZXHT-UHFFFAOYSA-N 1 0 344.415 3.024 20 5 EGBDRO Cc1nnc(CC[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)s1 ZINC000289659673 276373837 /nfs/dbraw/zinc/37/38/37/276373837.db2.gz GQQCZIWYZWDULY-AWEZNQCLSA-N 1 0 332.429 3.309 20 5 EGBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(C(=O)N(C)C)cc1 ZINC000292044719 276725725 /nfs/dbraw/zinc/72/57/25/276725725.db2.gz FMEHQKIYEGHWEZ-CYBMUJFWSA-N 1 0 327.384 3.147 20 5 EGBDRO CSC[C@@](C)(O)C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000130262966 278136543 /nfs/dbraw/zinc/13/65/43/278136543.db2.gz FIJBCUAWNKLXTM-KMFMINBZSA-N 1 0 338.473 3.010 20 5 EGBDRO C[C@H](C[NH+]1CCCCCC1)NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000359324968 278188442 /nfs/dbraw/zinc/18/84/42/278188442.db2.gz BCIMRKWTLQMMDE-CYBMUJFWSA-N 1 0 345.399 3.335 20 5 EGBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000262771037 278312464 /nfs/dbraw/zinc/31/24/64/278312464.db2.gz UOBTZDOMNKRRRG-MFKMUULPSA-N 1 0 333.413 3.151 20 5 EGBDRO C[C@@H]([NH2+][C@H](C)c1ccc(S(C)(=O)=O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000178640702 278379057 /nfs/dbraw/zinc/37/90/57/278379057.db2.gz FMLCYNAGUJYOGS-CHWSQXEVSA-N 1 0 348.424 3.410 20 5 EGBDRO Cc1c(NC(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000056530623 280244918 /nfs/dbraw/zinc/24/49/18/280244918.db2.gz ZHUCQSVQZAXTHJ-QWHCGFSZSA-N 1 0 334.420 3.145 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000094032064 280397901 /nfs/dbraw/zinc/39/79/01/280397901.db2.gz WASSMHLNGXNVEJ-ZDUSSCGKSA-N 1 0 347.459 3.372 20 5 EGBDRO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)NCc1cccs1 ZINC000056196609 307342592 /nfs/dbraw/zinc/34/25/92/307342592.db2.gz XHMUKCGMAKZBQL-RYUDHWBXSA-N 1 0 333.413 3.012 20 5 EGBDRO Cc1c([C@H](C)[NH2+]CC(=O)Nc2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000126287289 307567096 /nfs/dbraw/zinc/56/70/96/307567096.db2.gz DANMHDGFNBPYMQ-LBPRGKRZSA-N 1 0 331.347 3.332 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000132960074 307665463 /nfs/dbraw/zinc/66/54/63/307665463.db2.gz NRRPRLAWJFIVBN-HZPDHXFCSA-N 1 0 347.459 3.055 20 5 EGBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC(C)(C)OCC1CC1 ZINC000414231894 309067840 /nfs/dbraw/zinc/06/78/40/309067840.db2.gz ACHXGKIXCFKMOV-ZDUSSCGKSA-N 1 0 349.431 3.107 20 5 EGBDRO CC(C)(C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)OCC1CC1 ZINC000414252194 309068811 /nfs/dbraw/zinc/06/88/11/309068811.db2.gz CPEBZNVSIAVAKS-LSDHHAIUSA-N 1 0 336.436 3.070 20 5 EGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](CO)c1ccc(F)cc1 ZINC000414282930 309070470 /nfs/dbraw/zinc/07/04/70/309070470.db2.gz DRPMXXDRPWNVDC-RHSMWYFYSA-N 1 0 346.402 3.421 20 5 EGBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000414330855 309073257 /nfs/dbraw/zinc/07/32/57/309073257.db2.gz FGMDBCOKUXVGDZ-NILFDRSVSA-N 1 0 329.356 3.051 20 5 EGBDRO CO[C@H](C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CC1 ZINC000293065668 308095654 /nfs/dbraw/zinc/09/56/54/308095654.db2.gz SOCRJYWFZDKDDB-OAHLLOKOSA-N 1 0 333.413 3.233 20 5 EGBDRO CCNC(=O)[C@@H]([NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(C)C ZINC000293087692 308098311 /nfs/dbraw/zinc/09/83/11/308098311.db2.gz WSJFOQAQKUBMBY-KRWDZBQOSA-N 1 0 345.399 3.105 20 5 EGBDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293261056 308114663 /nfs/dbraw/zinc/11/46/63/308114663.db2.gz UKZPDFMSCRDOTM-JTQLQIEISA-N 1 0 347.337 3.074 20 5 EGBDRO COc1cccc(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1OC ZINC000293779542 308161070 /nfs/dbraw/zinc/16/10/70/308161070.db2.gz QAYIRQNKCBPWCQ-LLVKDONJSA-N 1 0 331.372 3.045 20 5 EGBDRO CC(C)c1ccc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1[N+](=O)[O-] ZINC000294180984 308197791 /nfs/dbraw/zinc/19/77/91/308197791.db2.gz PBLZDICBIUBJBT-IBGZPJMESA-N 1 0 345.443 3.276 20 5 EGBDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000294703930 308247798 /nfs/dbraw/zinc/24/77/98/308247798.db2.gz VMZYDXSVCMMGCQ-JTQLQIEISA-N 1 0 347.337 3.074 20 5 EGBDRO COc1cc(C[NH2+]CC(C)(C)c2ccccn2)c([N+](=O)[O-])cc1OC ZINC000294751315 308253077 /nfs/dbraw/zinc/25/30/77/308253077.db2.gz IFYDYFLPJSGNMB-UHFFFAOYSA-N 1 0 345.399 3.074 20 5 EGBDRO CCN(C)C(=O)[C@@H]([NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-])C(C)C ZINC000294916671 308271358 /nfs/dbraw/zinc/27/13/58/308271358.db2.gz AOCTVFLONWIAJX-PBHICJAKSA-N 1 0 335.448 3.008 20 5 EGBDRO C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000295468566 308330023 /nfs/dbraw/zinc/33/00/23/308330023.db2.gz YCVZRUXQPNGNMJ-SUMWQHHRSA-N 1 0 331.416 3.179 20 5 EGBDRO CCOc1cc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)ccc1[N+](=O)[O-] ZINC000295844690 308365998 /nfs/dbraw/zinc/36/59/98/308365998.db2.gz DHVXUWBOIGDVRA-IAOVAPTHSA-N 1 0 332.400 3.041 20 5 EGBDRO CCOc1ccc([C@H](C)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1[N+](=O)[O-] ZINC000296029869 308386533 /nfs/dbraw/zinc/38/65/33/308386533.db2.gz SSWHLOIJINJBPM-WWTUQBGBSA-N 1 0 333.432 3.269 20 5 EGBDRO O=[N+]([O-])c1ccc2c(ccnc2N2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000297086113 308497624 /nfs/dbraw/zinc/49/76/24/308497624.db2.gz KFEUYSMLKXIJKC-CQSZACIVSA-N 1 0 326.400 3.065 20 5 EGBDRO C[C@H]1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@H](C[NH3+])C1 ZINC000414768040 309099655 /nfs/dbraw/zinc/09/96/55/309099655.db2.gz KVBXONQRGWSWNW-LRDDRELGSA-N 1 0 346.456 3.278 20 5 EGBDRO COc1cccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000298857065 308644723 /nfs/dbraw/zinc/64/47/23/308644723.db2.gz FNEKRBINHANAFB-QWHCGFSZSA-N 1 0 343.383 3.281 20 5 EGBDRO C[NH2+]C[C@H](C)CNCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000414831269 309104366 /nfs/dbraw/zinc/10/43/66/309104366.db2.gz CUDSEANKWIOAKI-ZDUSSCGKSA-N 1 0 347.390 3.471 20 5 EGBDRO C[C@@H]1C[NH+](CCCCNc2c(F)cc([N+](=O)[O-])cc2F)C[C@@H](C)O1 ZINC000301793487 308715461 /nfs/dbraw/zinc/71/54/61/308715461.db2.gz PGQRNSRCQIZRPU-VXGBXAGGSA-N 1 0 343.374 3.174 20 5 EGBDRO Cc1c(C[NH+]2CCC(C(=O)OC(C)(C)C)CC2)cccc1[N+](=O)[O-] ZINC000330487521 308795614 /nfs/dbraw/zinc/79/56/14/308795614.db2.gz HOSSDSFNDOIQJE-UHFFFAOYSA-N 1 0 334.416 3.457 20 5 EGBDRO C[NH+](C)CC1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 ZINC000332199256 308829974 /nfs/dbraw/zinc/82/99/74/308829974.db2.gz CWTGFABBBGSBLV-UHFFFAOYSA-N 1 0 347.440 3.223 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000332403815 308836555 /nfs/dbraw/zinc/83/65/55/308836555.db2.gz VXMCQHPXCVESPN-UHFFFAOYSA-N 1 0 345.443 3.302 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000332407155 308836559 /nfs/dbraw/zinc/83/65/59/308836559.db2.gz IENISBWWOKHKIV-LSDHHAIUSA-N 1 0 346.431 3.065 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@]1(C)CCCC[C@@H]1C ZINC000411819791 308953796 /nfs/dbraw/zinc/95/37/96/308953796.db2.gz QNJZIWIQSUHWLZ-SCLBCKFNSA-N 1 0 349.431 3.490 20 5 EGBDRO O=[N+]([O-])c1cnc(NCc2ccccc2C[NH+]2CCCC2)c(F)c1 ZINC000413030084 309012565 /nfs/dbraw/zinc/01/25/65/309012565.db2.gz GQXGTQXVLRMFDU-UHFFFAOYSA-N 1 0 330.363 3.337 20 5 EGBDRO CN(c1ncc([N+](=O)[O-])cc1F)C1CC[NH+](Cc2ccccc2)CC1 ZINC000413140246 309017929 /nfs/dbraw/zinc/01/79/29/309017929.db2.gz OGKFPIKVPFVWMH-UHFFFAOYSA-N 1 0 344.390 3.230 20 5 EGBDRO CCC[N@H+](C)C[C@@H]1CCN(c2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413173666 309019602 /nfs/dbraw/zinc/01/96/02/309019602.db2.gz RDYUWTJOEWSQJE-AWEZNQCLSA-N 1 0 328.416 3.311 20 5 EGBDRO O=[N+]([O-])c1cc(CN[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)cs1 ZINC000414885394 309107336 /nfs/dbraw/zinc/10/73/36/309107336.db2.gz BVPQUEPPNGRRQJ-HUUCEWRRSA-N 1 0 335.404 3.031 20 5 EGBDRO CC[NH2+]Cc1cccc(NC(=O)NCc2cccc([N+](=O)[O-])c2C)c1 ZINC000415911569 309147885 /nfs/dbraw/zinc/14/78/85/309147885.db2.gz DQUVNZRXUPKNML-UHFFFAOYSA-N 1 0 342.399 3.334 20 5 EGBDRO CN(C)C1(C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CCOCC1 ZINC000417303952 309200934 /nfs/dbraw/zinc/20/09/34/309200934.db2.gz DXEQRQPBRHYMSB-GOSISDBHSA-N 1 0 347.459 3.063 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCn1cnnc1C1CC1)CCCC2 ZINC000417312538 309201274 /nfs/dbraw/zinc/20/12/74/309201274.db2.gz SLRSKZOFIZIJSR-KRWDZBQOSA-N 1 0 341.415 3.121 20 5 EGBDRO CN(C)[C@@]1(C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CCSC1 ZINC000417313891 309201334 /nfs/dbraw/zinc/20/13/34/309201334.db2.gz QITZFTILOKAMNQ-ZWKOTPCHSA-N 1 0 349.500 3.389 20 5 EGBDRO Cc1nnc(CC[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)s1 ZINC000417352199 309202792 /nfs/dbraw/zinc/20/27/92/309202792.db2.gz UTVAQUQNQRSLRZ-HNNXBMFYSA-N 1 0 332.429 3.355 20 5 EGBDRO CCOc1cc(CN(C)C(C)(C)C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000419373007 309265730 /nfs/dbraw/zinc/26/57/30/309265730.db2.gz LVLVHVVWSIGWNS-UHFFFAOYSA-N 1 0 335.448 3.300 20 5 EGBDRO [NH3+]C[C@H]1CC[C@H](CNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000420258372 309278348 /nfs/dbraw/zinc/27/83/48/309278348.db2.gz KXIPVCISEUZPFH-MGCOHNPYSA-N 1 0 332.326 3.186 20 5 EGBDRO C[NH+](C)C1CCC(Nc2ccc([N+](=O)[O-])cc2OC(F)F)CC1 ZINC000420634162 309291054 /nfs/dbraw/zinc/29/10/54/309291054.db2.gz ZKLYRNOUHQHYCN-UHFFFAOYSA-N 1 0 329.347 3.481 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](CCO)CC1 ZINC000421023033 309308524 /nfs/dbraw/zinc/30/85/24/309308524.db2.gz VTWAWARMEXNFJL-HNNXBMFYSA-N 1 0 336.432 3.367 20 5 EGBDRO [NH3+]CC1(CC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CCCCC1 ZINC000423728244 309410947 /nfs/dbraw/zinc/41/09/47/309410947.db2.gz SRCKVXXFNZVJHX-UHFFFAOYSA-N 1 0 345.443 3.385 20 5 EGBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1C[C@H]1C1CCC1 ZINC000424291551 309436881 /nfs/dbraw/zinc/43/68/81/309436881.db2.gz MGTQENNZKUGNFA-JDFRZJQESA-N 1 0 331.416 3.338 20 5 EGBDRO CCC1(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCOCC1 ZINC000426304213 309503923 /nfs/dbraw/zinc/50/39/23/309503923.db2.gz QMUYGMCWMANSDX-LSDHHAIUSA-N 1 0 336.436 3.071 20 5 EGBDRO CC(C)CC[NH+]1CCC(CNC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000431078044 309625110 /nfs/dbraw/zinc/62/51/10/309625110.db2.gz DSONFMSISBPJBG-UHFFFAOYSA-N 1 0 348.447 3.474 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccc(N3CCC3=O)c2)cc1[N+](=O)[O-] ZINC000442803614 309887852 /nfs/dbraw/zinc/88/78/52/309887852.db2.gz TZBJNYXMXMEIQO-CQSZACIVSA-N 1 0 339.395 3.491 20 5 EGBDRO C[C@H](CNc1ccc([N+](=O)[O-])cc1OC(F)F)C[NH+]1CCCC1 ZINC000443446451 309901333 /nfs/dbraw/zinc/90/13/33/309901333.db2.gz PJOCAFWIAVDNLV-LLVKDONJSA-N 1 0 329.347 3.340 20 5 EGBDRO C[NH+](C)C1(CNC(=O)CCc2cccc([N+](=O)[O-])c2)CCCCCC1 ZINC000445648994 309944969 /nfs/dbraw/zinc/94/49/69/309944969.db2.gz LRHGYJQYBDWXSM-UHFFFAOYSA-N 1 0 347.459 3.298 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N(C)CC[NH+](C(C)C)C(C)C ZINC000446487301 309962673 /nfs/dbraw/zinc/96/26/73/309962673.db2.gz ZRBLBVWBQPPNRL-UHFFFAOYSA-N 1 0 336.436 3.486 20 5 EGBDRO Cc1ccccc1OCC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447532549 309980924 /nfs/dbraw/zinc/98/09/24/309980924.db2.gz URZZXACISDVYTD-HOTGVXAUSA-N 1 0 344.415 3.252 20 5 EGBDRO COCCC1(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCC1 ZINC000447581335 309983002 /nfs/dbraw/zinc/98/30/02/309983002.db2.gz UCKNISKPLRNVCR-GJZGRUSLSA-N 1 0 336.436 3.071 20 5 EGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCN1CCc2ccccc2C1 ZINC000449073642 310034895 /nfs/dbraw/zinc/03/48/95/310034895.db2.gz SQOBCWATLLIQCG-INIZCTEOSA-N 1 0 339.439 3.174 20 5 EGBDRO CCCOc1ncccc1C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449105860 310037508 /nfs/dbraw/zinc/03/75/08/310037508.db2.gz JNIOHARHIIOKOK-AWEZNQCLSA-N 1 0 329.400 3.499 20 5 EGBDRO Cc1cn2c(n1)[C@@H](C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])CCC2 ZINC000449166084 310041769 /nfs/dbraw/zinc/04/17/69/310041769.db2.gz BSILXJUIGSJUHE-XJKSGUPXSA-N 1 0 328.416 3.198 20 5 EGBDRO CO[C@@H](C)c1nc(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])cs1 ZINC000449177183 310042584 /nfs/dbraw/zinc/04/25/84/310042584.db2.gz OUZBUYUHTSQQSI-NEPJUHHUSA-N 1 0 335.429 3.480 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](O)Cc1cccc(F)c1 ZINC000449362873 310056647 /nfs/dbraw/zinc/05/66/47/310056647.db2.gz NXURTPIKJJWALF-MOXPCZPISA-N 1 0 344.386 3.330 20 5 EGBDRO CO[C@H](C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000449392996 310058398 /nfs/dbraw/zinc/05/83/98/310058398.db2.gz LJFMLCBRIMQQMG-DBEXCURXSA-N 1 0 326.396 3.455 20 5 EGBDRO Cc1ccc(C[NH2+][C@@H]2CCO[C@H](c3ccncc3)C2)cc1[N+](=O)[O-] ZINC000449545787 310070432 /nfs/dbraw/zinc/07/04/32/310070432.db2.gz ZMWCUVDCIJYJAK-AEFFLSMTSA-N 1 0 327.384 3.308 20 5 EGBDRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000449616929 310075471 /nfs/dbraw/zinc/07/54/71/310075471.db2.gz SIQGROXRJUUYQF-BAYUOZKJSA-N 1 0 345.424 3.055 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCO[C@@H](c3ccccn3)C2)c(F)c1 ZINC000449616851 310075542 /nfs/dbraw/zinc/07/55/42/310075542.db2.gz RZSQEYNJCXNQDR-CXAGYDPISA-N 1 0 331.347 3.139 20 5 EGBDRO O=C(Nc1ccc2c(c1)C[NH2+]C2)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000449663498 310078569 /nfs/dbraw/zinc/07/85/69/310078569.db2.gz JNLBNJBJGWJZDJ-UHFFFAOYSA-N 1 0 338.367 3.025 20 5 EGBDRO CC[NH+](CC)[C@H](CNc1ncc([N+](=O)[O-])c(C)n1)c1ccccc1 ZINC000450212716 310108911 /nfs/dbraw/zinc/10/89/11/310108911.db2.gz FJOHQERMYGGSAD-MRXNPFEDSA-N 1 0 329.404 3.188 20 5 EGBDRO CCC[N@H+](C)C[C@H]1CCN(c2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000450358919 310117734 /nfs/dbraw/zinc/11/77/34/310117734.db2.gz CZRHZLQQYYWYBG-CQSZACIVSA-N 1 0 328.416 3.311 20 5 EGBDRO C[N@@H+]1CC[C@@H]2CCN(c3nc(-c4ccc([N+](=O)[O-])cc4)cs3)[C@@H]2C1 ZINC000450429510 310122051 /nfs/dbraw/zinc/12/20/51/310122051.db2.gz LOROMKAUYNTBTF-CZUORRHYSA-N 1 0 344.440 3.249 20 5 EGBDRO C[C@H](c1ccccc1)[C@H](O)C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000450975757 310153070 /nfs/dbraw/zinc/15/30/70/310153070.db2.gz PFRZEGPHQXAXMH-DNVCBOLYSA-N 1 0 328.412 3.234 20 5 EGBDRO O=C(C[NH2+][C@H]1CCC12CCCC2)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000451455882 310179190 /nfs/dbraw/zinc/17/91/90/310179190.db2.gz KIXXNCYZCJYZOU-AWEZNQCLSA-N 1 0 337.807 3.499 20 5 EGBDRO CC(C)O[C@@H]1C[C@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1(C)C ZINC000451488592 310180955 /nfs/dbraw/zinc/18/09/55/310180955.db2.gz BBILLZSIQMUFSG-JKSUJKDBSA-N 1 0 349.431 3.105 20 5 EGBDRO CCN(CC)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451543483 310184559 /nfs/dbraw/zinc/18/45/59/310184559.db2.gz BZAKDBYETDFSLM-GDBMZVCRSA-N 1 0 333.432 3.031 20 5 EGBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000451619721 310189617 /nfs/dbraw/zinc/18/96/17/310189617.db2.gz KLRDRVHTBOQZLK-CVEARBPZSA-N 1 0 346.427 3.255 20 5 EGBDRO CCO[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000452024479 310207982 /nfs/dbraw/zinc/20/79/82/310207982.db2.gz ZDIVGSIPYAIFEX-NILFDRSVSA-N 1 0 346.387 3.253 20 5 EGBDRO O=C(CC[N@@H+]1C[C@@H](C2CC2)[C@@H]1C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000453026363 310253274 /nfs/dbraw/zinc/25/32/74/310253274.db2.gz FEFZDPGUKNNLQK-KSSFIOAISA-N 1 0 329.400 3.044 20 5 EGBDRO O=C(CC[N@@H+]1C[C@H](C2CC2)[C@H]1C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000453026366 310253320 /nfs/dbraw/zinc/25/33/20/310253320.db2.gz FEFZDPGUKNNLQK-RDTXWAMCSA-N 1 0 329.400 3.044 20 5 EGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@H]2CCOC3(CCC3)C2)n1 ZINC000453322977 310271060 /nfs/dbraw/zinc/27/10/60/310271060.db2.gz RJQIKBRBIQYMDB-HRCADAONSA-N 1 0 348.447 3.214 20 5 EGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCc1cnc(C)cn1 ZINC000453403476 310275118 /nfs/dbraw/zinc/27/51/18/310275118.db2.gz OLSPEVDXOMLASF-AWEZNQCLSA-N 1 0 346.456 3.396 20 5 EGBDRO Cc1cnc(CC[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])cn1 ZINC000453411451 310275664 /nfs/dbraw/zinc/27/56/64/310275664.db2.gz VNJKDCFOWYJPFP-YJBOKZPZSA-N 1 0 340.427 3.237 20 5 EGBDRO Cc1ccc(C[C@@H](CO)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1C ZINC000453451765 310277691 /nfs/dbraw/zinc/27/76/91/310277691.db2.gz RVJRJMHYBIUTEF-QAPCUYQASA-N 1 0 328.412 3.466 20 5 EGBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000454656592 310322360 /nfs/dbraw/zinc/32/23/60/310322360.db2.gz ZOJWASAJZUIUNG-KKUMJFAQSA-N 1 0 348.447 3.075 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC(C)(C)C[NH+]1CCCC1 ZINC000454936248 310336494 /nfs/dbraw/zinc/33/64/94/310336494.db2.gz AAVOPEVQPHPLIV-UHFFFAOYSA-N 1 0 334.420 3.208 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@]1(C)CCCC[C@@H]1C ZINC000459605128 310563991 /nfs/dbraw/zinc/56/39/91/310563991.db2.gz CLQTXIKOLBRHGA-SJCJKPOMSA-N 1 0 335.404 3.100 20 5 EGBDRO C[C@@H]1CCCC[C@@]1(C)[NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000459616807 310564543 /nfs/dbraw/zinc/56/45/43/310564543.db2.gz QHNRMYBVIWYXEM-FZKQIMNGSA-N 1 0 347.415 3.451 20 5 EGBDRO COc1cc(NC[C@@H](Cc2ccccc2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000462124549 310595901 /nfs/dbraw/zinc/59/59/01/310595901.db2.gz VXYUINGTZUNACX-MRXNPFEDSA-N 1 0 329.400 3.188 20 5 EGBDRO COc1cc(N2CC[NH+](CCc3cccs3)CC2)ccc1[N+](=O)[O-] ZINC000462790294 310605830 /nfs/dbraw/zinc/60/58/30/310605830.db2.gz TVSLDPZWMJBBSB-UHFFFAOYSA-N 1 0 347.440 3.030 20 5 EGBDRO CC(=Cc1cccc([N+](=O)[O-])c1)[C@H]1NC(=[NH2+])Nc2nc3ccccc3n21 ZINC000468974518 310696876 /nfs/dbraw/zinc/69/68/76/310696876.db2.gz OLHVSWPEICZBEJ-SLWQEBJJSA-N 1 0 348.366 3.496 20 5 EGBDRO Cc1ccccc1O[C@H]1CCCC[C@@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000484659101 310968107 /nfs/dbraw/zinc/96/81/07/310968107.db2.gz YCAMJJZEBSHILS-RDJZCZTQSA-N 1 0 344.415 3.080 20 5 EGBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(c2ccc3ncccc3c2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488723984 311076756 /nfs/dbraw/zinc/07/67/56/311076756.db2.gz BIZJIXBVBIYWPD-GLJUWKHASA-N 1 0 340.427 3.310 20 5 EGBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)C[C@@H](C)C1 ZINC000488752899 311078548 /nfs/dbraw/zinc/07/85/48/311078548.db2.gz YRFFOFZUYFOPGR-LPMFXHHGSA-N 1 0 340.427 3.310 20 5 EGBDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3ccc4ncccc4c3)CC2)n1 ZINC000488801626 311080505 /nfs/dbraw/zinc/08/05/05/311080505.db2.gz VOWZDCBHZBPNBJ-UHFFFAOYSA-N 1 0 337.383 3.177 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)[C@@H](OC)c1ccccc1 ZINC000493894436 311443644 /nfs/dbraw/zinc/44/36/44/311443644.db2.gz OAJYGSBJZYLIFW-SCLBCKFNSA-N 1 0 330.384 3.469 20 5 EGBDRO CN(C(=O)c1ccc([N+](=O)[O-])cc1)C(C)(C)C[NH+]1CCCCCC1 ZINC000494007360 311451150 /nfs/dbraw/zinc/45/11/50/311451150.db2.gz QKNPGHOGCAJIIL-UHFFFAOYSA-N 1 0 333.432 3.321 20 5 EGBDRO COC(=O)N1CCC[C@H]([C@H](C)[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000495509971 311571474 /nfs/dbraw/zinc/57/14/74/311571474.db2.gz FSIPMSVRBRJNRC-YAIPVJBQSA-N 1 0 347.415 3.065 20 5 EGBDRO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])Cc1ccc2c(c1)OCO2 ZINC000506052450 312041113 /nfs/dbraw/zinc/04/11/13/312041113.db2.gz ZVDLXRFWLXQCKX-XQRVVYSFSA-N 1 0 326.352 3.469 20 5 EGBDRO COc1ccc(OCC[N@H+](C)Cc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000506064253 312041397 /nfs/dbraw/zinc/04/13/97/312041397.db2.gz QVSRJOYSRRBKRL-UHFFFAOYSA-N 1 0 330.384 3.423 20 5 EGBDRO COC(=O)[C@H]1CCCC[C@@]1(C)[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000508966014 312106220 /nfs/dbraw/zinc/10/62/20/312106220.db2.gz UYUGZBUACYGZCL-MLGOLLRUSA-N 1 0 342.342 3.085 20 5 EGBDRO C[C@@H](F)CC[NH+]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000509259256 312112953 /nfs/dbraw/zinc/11/29/53/312112953.db2.gz FBBPFVOOURQYTA-LLVKDONJSA-N 1 0 349.328 3.484 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1CNCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000509619456 312121493 /nfs/dbraw/zinc/12/14/93/312121493.db2.gz PCOSSSQCEHUAGN-HOTGVXAUSA-N 1 0 349.475 3.451 20 5 EGBDRO C[N@H+](CCc1ccc2c(c1)CCO2)CCc1ccccc1[N+](=O)[O-] ZINC000511095945 312154549 /nfs/dbraw/zinc/15/45/49/312154549.db2.gz MKGQBFSRAOXHSM-UHFFFAOYSA-N 1 0 326.396 3.247 20 5 EGBDRO C[C@H](Cc1ccsc1)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000515297480 312274712 /nfs/dbraw/zinc/27/47/12/312274712.db2.gz SKIRTMFSFLISIW-GFCCVEGCSA-N 1 0 333.413 3.206 20 5 EGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]Cc2noc3ccccc32)n1 ZINC000515498093 312285851 /nfs/dbraw/zinc/28/58/51/312285851.db2.gz DSAYBKKOCRVQON-DZGCQCFKSA-N 1 0 341.371 3.206 20 5 EGBDRO CCCN(CC[NH+]1CCCCCC1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000517779850 312393733 /nfs/dbraw/zinc/39/37/33/312393733.db2.gz JZUOIHKJECWHTG-UHFFFAOYSA-N 1 0 347.459 3.252 20 5 EGBDRO Cc1ccc(C[C@@H](CO)[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000527505692 312871454 /nfs/dbraw/zinc/87/14/54/312871454.db2.gz DEPJJPFPVHIGQU-WBVHZDCISA-N 1 0 328.412 3.466 20 5 EGBDRO Cc1ccc(CC[NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)o1 ZINC000531939945 313733893 /nfs/dbraw/zinc/73/38/93/313733893.db2.gz ZEHIGEWKDMMZIQ-LBPRGKRZSA-N 1 0 331.372 3.046 20 5 EGBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC(=Cc3cccc(F)c3)CC2)n1 ZINC000534536848 313985661 /nfs/dbraw/zinc/98/56/61/313985661.db2.gz BSOYGMVJGIWTNB-UHFFFAOYSA-N 1 0 330.363 3.110 20 5 EGBDRO CN(C(=O)C[N@H+](C)CCCc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000535328747 314040959 /nfs/dbraw/zinc/04/09/59/314040959.db2.gz BOABDBIRHHEGTH-UHFFFAOYSA-N 1 0 341.411 3.122 20 5 EGBDRO CC[C@H](C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccccc1 ZINC000536638564 314133382 /nfs/dbraw/zinc/13/33/82/314133382.db2.gz KLEKTLIKTZPUOV-MRXNPFEDSA-N 1 0 340.427 3.306 20 5 EGBDRO CCc1nn(C)c(NC[C@@H](C(CC)CC)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000536685190 314138025 /nfs/dbraw/zinc/13/80/25/314138025.db2.gz SJHFPNOEJRKDSD-HNNXBMFYSA-N 1 0 337.468 3.203 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000537609607 314195660 /nfs/dbraw/zinc/19/56/60/314195660.db2.gz DZYGIGXZPHWHQB-GDBMZVCRSA-N 1 0 331.416 3.051 20 5 EGBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000537956375 314219458 /nfs/dbraw/zinc/21/94/58/314219458.db2.gz OELFELPMVOTKKM-UKRRQHHQSA-N 1 0 347.415 3.003 20 5 EGBDRO COC(=O)[C@H]1CCCC[C@]1(C)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000538380773 314243234 /nfs/dbraw/zinc/24/32/34/314243234.db2.gz PYHQDMBDGKQELJ-CJNGLKHVSA-N 1 0 340.807 3.460 20 5 EGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCc2n[nH]cc2C1 ZINC000539064141 314293594 /nfs/dbraw/zinc/29/35/94/314293594.db2.gz DHEMFXLDWCIOEW-UONOGXRCSA-N 1 0 346.456 3.336 20 5 EGBDRO COC(=O)[C@H](Cc1ccccc1)[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000551721001 315165508 /nfs/dbraw/zinc/16/55/08/315165508.db2.gz KRPXZZUGNQNUAX-KBXCAEBGSA-N 1 0 342.395 3.105 20 5 EGBDRO CCC1CCC([N@H+](C)CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000552235416 315208014 /nfs/dbraw/zinc/20/80/14/315208014.db2.gz FYTRDTJZGUCEDH-UHFFFAOYSA-N 1 0 349.431 3.443 20 5 EGBDRO C[C@@H]([NH2+][C@H]1CCC1(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000554406663 315316068 /nfs/dbraw/zinc/31/60/68/315316068.db2.gz DRUACKLAMMNCMZ-RNCFNFMXSA-N 1 0 325.796 3.353 20 5 EGBDRO C[C@@H](C(=O)N(C)C1CCCCC1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000554843757 315352444 /nfs/dbraw/zinc/35/24/44/315352444.db2.gz MVNKDYRDQAZMFA-HNNXBMFYSA-N 1 0 347.459 3.249 20 5 EGBDRO COCC[C@@H](Cc1ccco1)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000564226493 316126204 /nfs/dbraw/zinc/12/62/04/316126204.db2.gz YSZDAUFTFBHHMK-SUMWQHHRSA-N 1 0 330.384 3.413 20 5 EGBDRO Cn1cnc([N+](=O)[O-])c1CS[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000564453743 316154521 /nfs/dbraw/zinc/15/45/21/316154521.db2.gz REXVBTXWVCSWAK-OAHLLOKOSA-N 1 0 346.456 3.226 20 5 EGBDRO C[C@H]([NH2+]C[C@H]1CN(c2ccccc2)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000566417408 316471565 /nfs/dbraw/zinc/47/15/65/316471565.db2.gz XTMFUQOACJPGJR-KXBFYZLASA-N 1 0 341.411 3.151 20 5 EGBDRO C[C@H](C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000566774422 316524203 /nfs/dbraw/zinc/52/42/03/316524203.db2.gz GOBDGPOOCQRYHC-OAGGEKHMSA-N 1 0 347.459 3.183 20 5 EGBDRO CC(C)CC(=O)N1CCC([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000568531482 316788419 /nfs/dbraw/zinc/78/84/19/316788419.db2.gz FHVJOFYPVQJTLC-QGZVFWFLSA-N 1 0 345.443 3.209 20 5 EGBDRO C[C@@H](C(=O)NCCCCC[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000572511415 317349989 /nfs/dbraw/zinc/34/99/89/317349989.db2.gz BNXRSEHQBVVQJH-OAHLLOKOSA-N 1 0 333.432 3.081 20 5 EGBDRO CC1(C)C[C@H]([NH2+]C[C@H](CO)Cc2ccco2)c2cc([N+](=O)[O-])ccc21 ZINC000572820194 317395422 /nfs/dbraw/zinc/39/54/22/317395422.db2.gz AJRWVBALEJWUBO-ACJLOTCBSA-N 1 0 344.411 3.351 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+]C1[C@@H](C)CCC[C@@H]1C ZINC000182735198 323572654 /nfs/dbraw/zinc/57/26/54/323572654.db2.gz QOIOPGKBJBOVFY-STQMWFEESA-N 1 0 349.431 3.346 20 5 EGBDRO COc1ccc(NC(=O)CC[NH2+][C@@H]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000192800510 323826027 /nfs/dbraw/zinc/82/60/27/323826027.db2.gz XSCHOTXCKWQFQN-GXTWGEPZSA-N 1 0 335.404 3.100 20 5 EGBDRO C[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)[C@H](C)NC(=O)OC(C)(C)C ZINC000381711561 324247864 /nfs/dbraw/zinc/24/78/64/324247864.db2.gz IOCYPQDDEFXODP-ZJUUUORDSA-N 1 0 329.422 3.048 20 5 EGBDRO C[NH+](C)[C@@H](CN[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F)C1CC1 ZINC000576949575 324714071 /nfs/dbraw/zinc/71/40/71/324714071.db2.gz OYTWXFRBRVYGRU-UONOGXRCSA-N 1 0 331.338 3.128 20 5 EGBDRO CC1(C)C[C@H]([NH2+][C@@H]2C[C@H]3CCCCN3C2=O)c2cc([N+](=O)[O-])ccc21 ZINC000578847206 325027103 /nfs/dbraw/zinc/02/71/03/325027103.db2.gz UIJAYTDGGSXPNB-JLZZUVOBSA-N 1 0 343.427 3.060 20 5 EGBDRO CO[C@@H](c1ccccc1)[C@H](C)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000579065586 325055285 /nfs/dbraw/zinc/05/52/85/325055285.db2.gz AEMVOCYNXLSVJF-KBXCAEBGSA-N 1 0 330.384 3.339 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)c1 ZINC000173012870 455219125 /nfs/dbraw/zinc/21/91/25/455219125.db2.gz HKSFOOFYGPXSRY-HNNXBMFYSA-N 1 0 341.411 3.154 20 5 EGBDRO Cn1cc(C[NH2+]C[C@H]2CC=CCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237925477 455235031 /nfs/dbraw/zinc/23/50/31/455235031.db2.gz AOANAJOXGBZPBX-AWEZNQCLSA-N 1 0 326.400 3.441 20 5 EGBDRO COc1ccc(OCC[N@H+](Cc2cccnc2)C2CC2)c([N+](=O)[O-])c1 ZINC000180745586 455238222 /nfs/dbraw/zinc/23/82/22/455238222.db2.gz RHCAHLJLDLLGCT-UHFFFAOYSA-N 1 0 343.383 3.042 20 5 EGBDRO CC(C)(C)OC(=O)N1CCC(C)([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000190000578 455270100 /nfs/dbraw/zinc/27/01/00/455270100.db2.gz CNRGNXXIAXZFEH-UHFFFAOYSA-N 1 0 349.431 3.474 20 5 EGBDRO COc1cccc2c1OC[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C2 ZINC000173381359 455276381 /nfs/dbraw/zinc/27/63/81/455276381.db2.gz AVRIKTYIVHEZDL-SWLSCSKDSA-N 1 0 328.368 3.258 20 5 EGBDRO CC(C)c1ccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000190173762 455285747 /nfs/dbraw/zinc/28/57/47/455285747.db2.gz MWARWFFAVWFHRK-NVXWUHKLSA-N 1 0 345.443 3.275 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000600722890 460580493 /nfs/dbraw/zinc/58/04/93/460580493.db2.gz RNYFTDPWZIDKFU-SLEUVZQESA-N 1 0 345.365 3.423 20 5 EGBDRO COC(=O)c1ccc(-c2cc(C)cc3c2CC[NH2+]C3)c([N+](=O)[O-])c1 ZINC000600786074 460603031 /nfs/dbraw/zinc/60/30/31/460603031.db2.gz MTYHRMUJVRQMPF-UHFFFAOYSA-N 1 0 326.352 3.003 20 5 EGBDRO CC[NH+](CC)Cc1ccc(CNC(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000016780117 453622096 /nfs/dbraw/zinc/62/20/96/453622096.db2.gz AYPHPNISAGIGRS-UHFFFAOYSA-N 1 0 347.440 3.428 20 5 EGBDRO CCc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])s2)[NH+](C)C)cc1 ZINC000027596595 453819420 /nfs/dbraw/zinc/81/94/20/453819420.db2.gz MQLGDJXGGDEOQB-AWEZNQCLSA-N 1 0 347.440 3.251 20 5 EGBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)CCc1ccccc1 ZINC000053047868 453854240 /nfs/dbraw/zinc/85/42/40/453854240.db2.gz LYJWMNDCJSFEEP-CQSZACIVSA-N 1 0 327.384 3.096 20 5 EGBDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000053753325 453895106 /nfs/dbraw/zinc/89/51/06/453895106.db2.gz IJFVAFUSAZNEKN-CYBMUJFWSA-N 1 0 334.420 3.227 20 5 EGBDRO CC[C@H](C)[C@H](C)[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000181786969 455381998 /nfs/dbraw/zinc/38/19/98/455381998.db2.gz XGWDMLIHTHVOCZ-DZKIICNBSA-N 1 0 336.432 3.234 20 5 EGBDRO CC[NH+](CC)CCS[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000083093140 453938212 /nfs/dbraw/zinc/93/82/12/453938212.db2.gz ZFUBOSVZZOJAKV-ZDUSSCGKSA-N 1 0 339.461 3.305 20 5 EGBDRO O=[N+]([O-])c1ccc2oc(CN3CCC[C@@H]3C[NH+]3CCCCC3)nc2c1 ZINC000083170544 453941328 /nfs/dbraw/zinc/94/13/28/453941328.db2.gz FDHDNRUNJNTIMJ-OAHLLOKOSA-N 1 0 344.415 3.186 20 5 EGBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(F)c1 ZINC000056196939 454043421 /nfs/dbraw/zinc/04/34/21/454043421.db2.gz GEGZNZVIOROEMG-NWDGAFQWSA-N 1 0 331.347 3.412 20 5 EGBDRO O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000056327553 454050948 /nfs/dbraw/zinc/05/09/48/454050948.db2.gz IZUPTAMUBIHXQU-UHFFFAOYSA-N 1 0 339.395 3.485 20 5 EGBDRO C[NH+](C)[C@H](CNC(=O)CCc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000087104931 454063336 /nfs/dbraw/zinc/06/33/36/454063336.db2.gz KFSFZEDXXUAFCA-GOSISDBHSA-N 1 0 347.459 3.154 20 5 EGBDRO COc1cc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc(OC)c1OC ZINC000077220987 454077548 /nfs/dbraw/zinc/07/75/48/454077548.db2.gz DZDDQFRGVBYSMB-GFCCVEGCSA-N 1 0 346.383 3.471 20 5 EGBDRO C[NH+](C)[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC000045312063 454152087 /nfs/dbraw/zinc/15/20/87/454152087.db2.gz IENTVNMFEGTVQS-AWEZNQCLSA-N 1 0 334.401 3.081 20 5 EGBDRO CCc1nn(C)c(NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000094153398 454190400 /nfs/dbraw/zinc/19/04/00/454190400.db2.gz BKFYFEOXYIBUCI-AWEZNQCLSA-N 1 0 347.419 3.041 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(CN3CCOC[C@@H]3C3CC3)o2)cc1 ZINC000130684396 454212495 /nfs/dbraw/zinc/21/24/95/454212495.db2.gz FQKCCZIBALUWAM-QGZVFWFLSA-N 1 0 328.368 3.466 20 5 EGBDRO CCCC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000071970320 454263070 /nfs/dbraw/zinc/26/30/70/454263070.db2.gz LBMJKHYTEGNXRH-UHFFFAOYSA-N 1 0 339.823 3.243 20 5 EGBDRO CCOC(=O)N1CCC([NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000120174616 454267458 /nfs/dbraw/zinc/26/74/58/454267458.db2.gz OOLSSRJUIAWIQQ-ZDUSSCGKSA-N 1 0 335.404 3.175 20 5 EGBDRO CC[N@H+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C1 ZINC000090100589 454279675 /nfs/dbraw/zinc/27/96/75/454279675.db2.gz ZNDXTDUGPAHFCU-HNNXBMFYSA-N 1 0 340.427 3.435 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C3CC3)CC2)nc1-c1ccccc1 ZINC000090113620 454281838 /nfs/dbraw/zinc/28/18/38/454281838.db2.gz SKQWFTACLLICGA-UHFFFAOYSA-N 1 0 338.411 3.378 20 5 EGBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000184699692 455431594 /nfs/dbraw/zinc/43/15/94/455431594.db2.gz NYNIMGFQIVRJON-RDJZCZTQSA-N 1 0 347.459 3.012 20 5 EGBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000060590538 454306030 /nfs/dbraw/zinc/30/60/30/454306030.db2.gz LUSFOOPRMJMICJ-BETUJISGSA-N 1 0 339.461 3.144 20 5 EGBDRO Cc1c(C(=O)NCCCC[N@H+]2CCCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000046989281 454312086 /nfs/dbraw/zinc/31/20/86/454312086.db2.gz SWECJCJZMQGXRQ-CQSZACIVSA-N 1 0 333.432 3.288 20 5 EGBDRO CC[C@@H](C)[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccccc1 ZINC000090512338 454313802 /nfs/dbraw/zinc/31/38/02/454313802.db2.gz OWTADRZFDYPRSE-OAHLLOKOSA-N 1 0 329.400 3.057 20 5 EGBDRO CC(C)(C)c1ccc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000046996313 454315718 /nfs/dbraw/zinc/31/57/18/454315718.db2.gz SGTWNYFECIBFSN-HZPDHXFCSA-N 1 0 345.443 3.249 20 5 EGBDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000078800784 454320756 /nfs/dbraw/zinc/32/07/56/454320756.db2.gz DTTDUHWZNQFSJH-NSHDSACASA-N 1 0 340.811 3.054 20 5 EGBDRO CCOc1ccc(NC(=O)C[N@@H+]2C[C@@H](C)C[C@@H]2CC)c([N+](=O)[O-])c1 ZINC000072697925 454329199 /nfs/dbraw/zinc/32/91/99/454329199.db2.gz MCVCBTDHZWUNHQ-STQMWFEESA-N 1 0 335.404 3.052 20 5 EGBDRO COc1cc(NCC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc(OC)c1 ZINC000090719396 454337693 /nfs/dbraw/zinc/33/76/93/454337693.db2.gz GXMNQEOCUXRAEL-ZDUSSCGKSA-N 1 0 345.399 3.375 20 5 EGBDRO O=[N+]([O-])c1cc(Br)ccc1NCCC[NH+]1CCCC1 ZINC000061591082 454348165 /nfs/dbraw/zinc/34/81/65/454348165.db2.gz UYUXXQTZMLMUTP-UHFFFAOYSA-N 1 0 328.210 3.255 20 5 EGBDRO Cc1cccc(C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000047415829 454369351 /nfs/dbraw/zinc/36/93/51/454369351.db2.gz YARHVQIAROUEDG-OKILXGFUSA-N 1 0 333.432 3.001 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@@H]1CCCC1(C)C ZINC000097105559 454408842 /nfs/dbraw/zinc/40/88/42/454408842.db2.gz BBOOETYAHNXYAT-IAQYHMDHSA-N 1 0 335.404 3.099 20 5 EGBDRO Cc1c(NC(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)cccc1[N+](=O)[O-] ZINC000048053215 454437203 /nfs/dbraw/zinc/43/72/03/454437203.db2.gz CVYIKHMDLOANTF-UHFFFAOYSA-N 1 0 348.447 3.487 20 5 EGBDRO C[N@@H+]1CCC[C@@H]2CN(c3ccc([N+](=O)[O-])c4cnccc43)CC[C@@H]21 ZINC000133658982 454452470 /nfs/dbraw/zinc/45/24/70/454452470.db2.gz CTADJMWEHSZARE-CJNGLKHVSA-N 1 0 326.400 3.064 20 5 EGBDRO C[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])CC1CCCC1 ZINC000064021434 454464013 /nfs/dbraw/zinc/46/40/13/454464013.db2.gz RGHPRIDOGLZKBT-UHFFFAOYSA-N 1 0 325.796 3.309 20 5 EGBDRO CC[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)Cc1ccoc1 ZINC000102409365 454503230 /nfs/dbraw/zinc/50/32/30/454503230.db2.gz KLFPHOUETJTVPJ-UHFFFAOYSA-N 1 0 331.372 3.347 20 5 EGBDRO CCOC(=O)CC[C@@H]1CCC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000092073736 454516485 /nfs/dbraw/zinc/51/64/85/454516485.db2.gz RLANXINAINOPJN-HNNXBMFYSA-N 1 0 334.416 3.459 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+]CCOc2ncccc2C(F)(F)F)cc1 ZINC000122839907 454573925 /nfs/dbraw/zinc/57/39/25/454573925.db2.gz RSNIMGBDZOMAIC-UHFFFAOYSA-N 1 0 341.289 3.177 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CC3CC3)C2)cc1OC(F)F ZINC000092652062 454600390 /nfs/dbraw/zinc/60/03/90/454600390.db2.gz DQZDHOUSLFGACP-GFCCVEGCSA-N 1 0 327.331 3.092 20 5 EGBDRO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000051051101 454606369 /nfs/dbraw/zinc/60/63/69/454606369.db2.gz OBCSFCSFDKJMIO-GOEBONIOSA-N 1 0 333.432 3.112 20 5 EGBDRO COc1ccc(C[N@H+](C)CCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000051454705 454625562 /nfs/dbraw/zinc/62/55/62/454625562.db2.gz VJXAIOPONGOCIK-UHFFFAOYSA-N 1 0 330.384 3.287 20 5 EGBDRO CC(C)[C@H](CNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000105159830 454626230 /nfs/dbraw/zinc/62/62/30/454626230.db2.gz DYDITAFZPSEFQJ-PBHICJAKSA-N 1 0 348.447 3.075 20 5 EGBDRO O=[N+]([O-])c1cc(F)ccc1NC1CC[NH+](Cc2ccccn2)CC1 ZINC000052407564 454670611 /nfs/dbraw/zinc/67/06/11/454670611.db2.gz FZGDWHRAFIBGIV-UHFFFAOYSA-N 1 0 330.363 3.205 20 5 EGBDRO COc1ccc(C[N@H+](CCn2ccc([N+](=O)[O-])n2)[C@@H](C)C2CC2)cc1 ZINC000176216161 454713033 /nfs/dbraw/zinc/71/30/33/454713033.db2.gz PSPHMZGGUBKESW-AWEZNQCLSA-N 1 0 344.415 3.101 20 5 EGBDRO CC[NH+](CC)CCCCNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000176488599 454751268 /nfs/dbraw/zinc/75/12/68/454751268.db2.gz CBTCDBLZWRMVEG-UHFFFAOYSA-N 1 0 327.812 3.100 20 5 EGBDRO COc1ccc(C)cc1NC(=O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000176920915 454799007 /nfs/dbraw/zinc/79/90/07/454799007.db2.gz OYYCDBGBWYGTML-CYBMUJFWSA-N 1 0 343.383 3.201 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@@H](O)C1CCCCC1)C1CC1 ZINC000163081672 454821484 /nfs/dbraw/zinc/82/14/84/454821484.db2.gz BDYHMUASBUPNEO-PKOBYXMFSA-N 1 0 332.444 3.447 20 5 EGBDRO O=C(NC1CC[NH+](C2CCCCC2)CC1)c1csc([N+](=O)[O-])c1 ZINC000177234982 454840248 /nfs/dbraw/zinc/84/02/48/454840248.db2.gz WGTJCKQXJIXHSQ-UHFFFAOYSA-N 1 0 337.445 3.183 20 5 EGBDRO C[C@H]([NH2+][C@@H]1CCN(C(=O)C2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000126760835 454916173 /nfs/dbraw/zinc/91/61/73/454916173.db2.gz QJKQIEMDWZHTRK-XJKSGUPXSA-N 1 0 331.416 3.037 20 5 EGBDRO C[N@@H+]1CCC[C@@H](CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000113340159 454924422 /nfs/dbraw/zinc/92/44/22/454924422.db2.gz GNTARUKWJPNTDY-ZDUSSCGKSA-N 1 0 346.456 3.150 20 5 EGBDRO Cc1c([C@@H](C)[NH2+][C@@H]2CCN(c3ncccc3F)C2)cccc1[N+](=O)[O-] ZINC000168172665 454925974 /nfs/dbraw/zinc/92/59/74/454925974.db2.gz VBWVCHFAPZPDCA-ZIAGYGMSSA-N 1 0 344.390 3.367 20 5 EGBDRO COCc1cc([N+](=O)[O-])ccc1N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000266995260 455489486 /nfs/dbraw/zinc/48/94/86/455489486.db2.gz DEJHMRJXHMFWGQ-MRXNPFEDSA-N 1 0 333.432 3.196 20 5 EGBDRO C[C@@H](CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)C[NH+]1CCCCC1 ZINC000170639818 454946177 /nfs/dbraw/zinc/94/61/77/454946177.db2.gz QDMLKFWNVADHGO-ZDUSSCGKSA-N 1 0 346.431 3.013 20 5 EGBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H](Cc2ccccc2)c2cccs2)c1 ZINC000184977564 455480661 /nfs/dbraw/zinc/48/06/61/455480661.db2.gz FTITVYCMZZESDJ-MRXNPFEDSA-N 1 0 342.424 3.426 20 5 EGBDRO COc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000182349758 455495198 /nfs/dbraw/zinc/49/51/98/455495198.db2.gz AUFJTHWWEVFSAK-ZDUSSCGKSA-N 1 0 343.383 3.201 20 5 EGBDRO COc1ccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c(OC)c1OC ZINC000178647294 454966637 /nfs/dbraw/zinc/96/66/37/454966637.db2.gz LLOUYWOWDGTUOY-GFCCVEGCSA-N 1 0 346.383 3.471 20 5 EGBDRO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1cccc(N2CCOC2=O)c1 ZINC000171128733 455034217 /nfs/dbraw/zinc/03/42/17/455034217.db2.gz JAWBCBGFCBONTN-CYBMUJFWSA-N 1 0 341.367 3.402 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000155800993 455047160 /nfs/dbraw/zinc/04/71/60/455047160.db2.gz OLORXZMXAKLSIZ-OAHLLOKOSA-N 1 0 337.383 3.017 20 5 EGBDRO CC[C@@H]1CCCN(CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000117342834 455084124 /nfs/dbraw/zinc/08/41/24/455084124.db2.gz FSSLLTAJOOQPTN-CYBMUJFWSA-N 1 0 335.404 3.054 20 5 EGBDRO CC[C@@H]1CC[N@H+](Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C1 ZINC000180266488 455153451 /nfs/dbraw/zinc/15/34/51/455153451.db2.gz OEPSYGJGCZCTHY-LLVKDONJSA-N 1 0 344.358 3.479 20 5 EGBDRO C[C@H]([NH2+]CC(=O)NCc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000180396603 455163764 /nfs/dbraw/zinc/16/37/64/455163764.db2.gz BGVZILGRJCPQMU-LBPRGKRZSA-N 1 0 347.802 3.215 20 5 EGBDRO Cc1ccccc1CN(C)C(=O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180435797 455169915 /nfs/dbraw/zinc/16/99/15/455169915.db2.gz ZECBYJKGWVTCDR-OAHLLOKOSA-N 1 0 341.411 3.212 20 5 EGBDRO Cc1ccc([C@@H](C)Nc2ccc(N3CCOCC3)cn2)cc1[N+](=O)[O-] ZINC000182872147 455180529 /nfs/dbraw/zinc/18/05/29/455180529.db2.gz PIWDGTQRSYAEBJ-CQSZACIVSA-N 1 0 342.399 3.308 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000182982569 455203743 /nfs/dbraw/zinc/20/37/43/455203743.db2.gz LYMIYBHRRFDVDU-CQSZACIVSA-N 1 0 334.420 3.289 20 5 EGBDRO C[C@H](CO[C@@H]1CCOC1)[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000245520787 455320861 /nfs/dbraw/zinc/32/08/61/455320861.db2.gz BXSLTZGICOQMJQ-CYGHRXIMSA-N 1 0 348.443 3.090 20 5 EGBDRO CCn1cc(CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)cn1 ZINC000265458842 455328562 /nfs/dbraw/zinc/32/85/62/455328562.db2.gz GFOKZWJVVGKUHJ-UHFFFAOYSA-N 1 0 343.412 3.225 20 5 EGBDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000265847230 455392877 /nfs/dbraw/zinc/39/28/77/455392877.db2.gz WQFSXAWABQFEQY-HNNXBMFYSA-N 1 0 347.459 3.253 20 5 EGBDRO CCc1ccccc1NC(=O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000182022819 455418448 /nfs/dbraw/zinc/41/84/48/455418448.db2.gz VFHYXSDLTWBUPV-ZDUSSCGKSA-N 1 0 327.384 3.447 20 5 EGBDRO C[NH+](C)[C@H](CNC(=O)c1cccc(Cl)c1[N+](=O)[O-])c1ccccc1 ZINC000174951538 455419096 /nfs/dbraw/zinc/41/90/96/455419096.db2.gz HZISXYJSNWHBAV-OAHLLOKOSA-N 1 0 347.802 3.281 20 5 EGBDRO CCOC[C@H]1CC[N@@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000246191727 455444718 /nfs/dbraw/zinc/44/47/18/455444718.db2.gz LQJRYNJKUMKIPE-OLZOCXBDSA-N 1 0 346.387 3.064 20 5 EGBDRO Cc1ccc(C[C@@H](CO)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000191585164 455501062 /nfs/dbraw/zinc/50/10/62/455501062.db2.gz QBJGNLJZEVSURS-RDJZCZTQSA-N 1 0 328.412 3.466 20 5 EGBDRO O=[N+]([O-])c1cccc(F)c1CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246509698 455503442 /nfs/dbraw/zinc/50/34/42/455503442.db2.gz IDXFKWKLMBJHQQ-GUYCJALGSA-N 1 0 333.407 3.183 20 5 EGBDRO COc1ccc([C@H](CCO)[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000182402796 455506696 /nfs/dbraw/zinc/50/66/96/455506696.db2.gz MERBFKRJOQVQHY-KRWDZBQOSA-N 1 0 330.384 3.125 20 5 EGBDRO Cc1cc(C)cc([C@@H](C)[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000182416652 455509526 /nfs/dbraw/zinc/50/95/26/455509526.db2.gz FDCCAGCWKAKMKZ-NVXWUHKLSA-N 1 0 344.411 3.302 20 5 EGBDRO CC[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1c(C)noc1C ZINC000182424780 455512136 /nfs/dbraw/zinc/51/21/36/455512136.db2.gz JFNMEZVSELBKQT-OAHLLOKOSA-N 1 0 346.387 3.269 20 5 EGBDRO CCOc1cccc2cc([C@H](C)[NH2+]CCn3ccc([N+](=O)[O-])n3)oc21 ZINC000182652086 455561240 /nfs/dbraw/zinc/56/12/40/455561240.db2.gz VKYUCJWMHSJZNO-LBPRGKRZSA-N 1 0 344.371 3.287 20 5 EGBDRO C[C@H]1CCN(c2ncc([N+](=O)[O-])s2)CC[N@@H+]1Cc1ccccc1 ZINC000192472275 455626115 /nfs/dbraw/zinc/62/61/15/455626115.db2.gz OZJCYWPXKJYYOI-ZDUSSCGKSA-N 1 0 332.429 3.152 20 5 EGBDRO CCC1(CC)[C@H]([NH2+][C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1OC ZINC000247891922 455652496 /nfs/dbraw/zinc/65/24/96/455652496.db2.gz FQEPVUSABIZGML-DAXOMENPSA-N 1 0 349.431 3.105 20 5 EGBDRO COc1ccc([C@@H](O)C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000192638273 455658910 /nfs/dbraw/zinc/65/89/10/455658910.db2.gz HBPUEIFTZLFETG-OALUTQOASA-N 1 0 342.395 3.304 20 5 EGBDRO CC[C@@H]1CC[C@@H](C)[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000271510203 455664865 /nfs/dbraw/zinc/66/48/65/455664865.db2.gz KBMLVPHQOOPMSG-CHWSQXEVSA-N 1 0 335.404 3.195 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCOc1ncccc1F)C1CC1 ZINC000271546527 455679629 /nfs/dbraw/zinc/67/96/29/455679629.db2.gz UJFCZLTVBLKUSE-MRXNPFEDSA-N 1 0 345.374 3.119 20 5 EGBDRO Cc1nccn1C[C@@H](C)C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192824172 455701150 /nfs/dbraw/zinc/70/11/50/455701150.db2.gz ZWNAGBAZERFJFB-SCLBCKFNSA-N 1 0 328.416 3.403 20 5 EGBDRO Cc1ccc(NC(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000292793981 455759587 /nfs/dbraw/zinc/75/95/87/455759587.db2.gz MXZHVOJHXQYCRR-CYBMUJFWSA-N 1 0 346.431 3.241 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@@H]1[C@H]1COCC[C@]1(C)O ZINC000284904707 455760126 /nfs/dbraw/zinc/76/01/26/455760126.db2.gz TZNBPPBUULQAKA-PIKADFDJSA-N 1 0 348.443 3.216 20 5 EGBDRO COc1cc(C[NH2+][C@@H]2CCCO[C@@H]2CC(C)C)c([N+](=O)[O-])cc1F ZINC000186400936 455761077 /nfs/dbraw/zinc/76/10/77/455761077.db2.gz KFAQLAOUZRTZNP-RHSMWYFYSA-N 1 0 340.395 3.426 20 5 EGBDRO C[N@@H+]1CCC[C@]2(CCN(c3ccc4ncccc4c3[N+](=O)[O-])C2)C1 ZINC000292802921 455762346 /nfs/dbraw/zinc/76/23/46/455762346.db2.gz NLHQSORBJLVGSR-SFHVURJKSA-N 1 0 326.400 3.065 20 5 EGBDRO C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285306346 455821895 /nfs/dbraw/zinc/82/18/95/455821895.db2.gz SHAJVFISQOQCAW-FMTVUPSXSA-N 1 0 347.390 3.479 20 5 EGBDRO Cc1ccccc1[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CC1 ZINC000272098583 455846698 /nfs/dbraw/zinc/84/66/98/455846698.db2.gz ZDSRETPTKBBAGB-SFHVURJKSA-N 1 0 339.395 3.243 20 5 EGBDRO Cn1c2ccccc2nc1CC[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285441351 455846857 /nfs/dbraw/zinc/84/68/57/455846857.db2.gz XOQWMOLJCIFNSY-UHFFFAOYSA-N 1 0 338.411 3.199 20 5 EGBDRO CC(C)(C)[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000285451813 455848953 /nfs/dbraw/zinc/84/89/53/455848953.db2.gz IZPLIHJCSUFQIZ-UKRRQHHQSA-N 1 0 339.823 3.031 20 5 EGBDRO COc1ccc([C@@H](CO)[N@H+](C)C/C=C\c2ccccc2[N+](=O)[O-])cc1 ZINC000255673573 455872162 /nfs/dbraw/zinc/87/21/62/455872162.db2.gz PYTMPHBYENJIJX-SUOMESGTSA-N 1 0 342.395 3.282 20 5 EGBDRO Cc1noc(C)c1C(C)(C)[NH2+]CCCOc1ccc([N+](=O)[O-])cc1 ZINC000285585760 455875832 /nfs/dbraw/zinc/87/58/32/455875832.db2.gz IXWWMZSEDAMLBX-UHFFFAOYSA-N 1 0 333.388 3.493 20 5 EGBDRO CC(C)[NH+]1CCC(N(C)c2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000296253581 455892232 /nfs/dbraw/zinc/89/22/32/455892232.db2.gz FWHWDYYGRFCTHO-UHFFFAOYSA-N 1 0 328.416 3.452 20 5 EGBDRO Cn1nc(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)c2ccccc21 ZINC000187390242 455904548 /nfs/dbraw/zinc/90/45/48/455904548.db2.gz QKRQYGFXCJNIGM-UHFFFAOYSA-N 1 0 344.802 3.467 20 5 EGBDRO CS[C@H]1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000296319808 455908849 /nfs/dbraw/zinc/90/88/49/455908849.db2.gz OSXFOVWGQKXUDX-AWEZNQCLSA-N 1 0 333.413 3.230 20 5 EGBDRO C[C@@H](Nc1ccc([N+](=O)[O-])cn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272340600 455919270 /nfs/dbraw/zinc/91/92/70/455919270.db2.gz WXBZPYZLJOGNCO-ZBFHGGJFSA-N 1 0 326.400 3.312 20 5 EGBDRO C[C@H](NC(=O)NCCC[NH+]1CCC(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000296479032 455949995 /nfs/dbraw/zinc/94/99/95/455949995.db2.gz ACWRVWPYDFUIDK-HNNXBMFYSA-N 1 0 348.447 3.077 20 5 EGBDRO COc1cc(C[NH2+][C@H]2CC=CCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272440161 455951942 /nfs/dbraw/zinc/95/19/42/455951942.db2.gz OMMJAWSZOPODMI-LBPRGKRZSA-N 1 0 342.342 3.446 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1ccc(CN2CC[C@@]3(CC[NH2+]C3)C2)o1 ZINC000261939854 455974994 /nfs/dbraw/zinc/97/49/94/455974994.db2.gz DNNVPQNIYISFDI-GOSISDBHSA-N 1 0 327.384 3.040 20 5 EGBDRO Cc1cc(C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000195694604 455994336 /nfs/dbraw/zinc/99/43/36/455994336.db2.gz BJLXDKIKXLSGIF-ZDUSSCGKSA-N 1 0 333.432 3.144 20 5 EGBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)[C@]12CCCO2 ZINC000272670597 456033481 /nfs/dbraw/zinc/03/34/81/456033481.db2.gz KJGJMORDVBPIAA-BZUAXINKSA-N 1 0 340.807 3.064 20 5 EGBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)[C@]12CCCO2 ZINC000272670595 456033826 /nfs/dbraw/zinc/03/38/26/456033826.db2.gz KJGJMORDVBPIAA-ARFHVFGLSA-N 1 0 340.807 3.064 20 5 EGBDRO C[S@](=O)C1(C[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCC1 ZINC000280712027 456036118 /nfs/dbraw/zinc/03/61/18/456036118.db2.gz UEKLDFUQDVNHSJ-DEOSSOPVSA-N 1 0 348.424 3.246 20 5 EGBDRO C[C@@H](C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)C1C[NH2+]C1 ZINC000262508240 456040645 /nfs/dbraw/zinc/04/06/45/456040645.db2.gz JHFQTQZIRWAJEK-GFCCVEGCSA-N 1 0 341.367 3.181 20 5 EGBDRO C[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)NCCc1cccs1 ZINC000296829465 456047803 /nfs/dbraw/zinc/04/78/03/456047803.db2.gz WJHVWXWFBWDAFJ-STQMWFEESA-N 1 0 347.440 3.054 20 5 EGBDRO COCCc1ncc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000601109586 460713278 /nfs/dbraw/zinc/71/32/78/460713278.db2.gz SKMHQSBJAZRMTK-UHFFFAOYSA-N 1 0 335.429 3.265 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000332562883 456091702 /nfs/dbraw/zinc/09/17/02/456091702.db2.gz SJZILQZREVGLQR-UHFFFAOYSA-N 1 0 348.447 3.455 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)c1 ZINC000280961830 456095041 /nfs/dbraw/zinc/09/50/41/456095041.db2.gz KZDKCFYOTWNPQN-INIZCTEOSA-N 1 0 345.443 3.430 20 5 EGBDRO Cc1cc(NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)ncc1[N+](=O)[O-] ZINC000301422274 456110783 /nfs/dbraw/zinc/11/07/83/456110783.db2.gz FPRRMPNBRLWPAI-INIZCTEOSA-N 1 0 326.400 3.375 20 5 EGBDRO CC(C)NC(=O)CC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000236635111 456161620 /nfs/dbraw/zinc/16/16/20/456161620.db2.gz XLDMFDVSVNIHSK-UHFFFAOYSA-N 1 0 347.440 3.328 20 5 EGBDRO Cc1ccnc(N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000301616113 456163389 /nfs/dbraw/zinc/16/33/89/456163389.db2.gz JNICILJSFBBSOS-GOEBONIOSA-N 1 0 326.400 3.373 20 5 EGBDRO Cc1nc(N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000301653202 456176229 /nfs/dbraw/zinc/17/62/29/456176229.db2.gz QYVOMKZXOFBOLA-MRXNPFEDSA-N 1 0 326.400 3.375 20 5 EGBDRO CSCCC[N@H+](C)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000281261271 456183238 /nfs/dbraw/zinc/18/32/38/456183238.db2.gz FGSGVDSTLPKDTA-LLVKDONJSA-N 1 0 336.417 3.391 20 5 EGBDRO CC[C@H](NC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc([N+](=O)[O-])c1 ZINC000236990822 456215343 /nfs/dbraw/zinc/21/53/43/456215343.db2.gz KUAYSWQBTJLKQV-WNLZPSQYSA-N 1 0 331.416 3.083 20 5 EGBDRO COc1cc(NC[C@@H](c2ccccc2)[NH+](C)C)c(F)cc1[N+](=O)[O-] ZINC000301855975 456233327 /nfs/dbraw/zinc/23/33/27/456233327.db2.gz IKUYUQBUGDFQGQ-INIZCTEOSA-N 1 0 333.363 3.457 20 5 EGBDRO CN(CCn1cccn1)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290104632 456240892 /nfs/dbraw/zinc/24/08/92/456240892.db2.gz XDZIVNSZRPVVRY-UHFFFAOYSA-N 1 0 329.187 3.230 20 5 EGBDRO NC(=O)c1ccc(C[N@@H+]2CCCC[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000273860345 456246155 /nfs/dbraw/zinc/24/61/55/456246155.db2.gz NSOITNZZUFLZQS-KRWDZBQOSA-N 1 0 339.395 3.421 20 5 EGBDRO COc1cc(NC[C@@H](C)C[NH+]2CCCCC2)c(F)cc1[N+](=O)[O-] ZINC000301983567 456263814 /nfs/dbraw/zinc/26/38/14/456263814.db2.gz KCXKFAIXMPBWKV-GFCCVEGCSA-N 1 0 325.384 3.276 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]([C@@H](C)C1CC1)C1CC1 ZINC000297816122 456301663 /nfs/dbraw/zinc/30/16/63/456301663.db2.gz IWKCYUWLUQTXCD-LBPRGKRZSA-N 1 0 347.415 3.195 20 5 EGBDRO CC[C@H]1CN(c2ccc([N+](=O)[O-])c(C)n2)CC[N@@H+]1Cc1ccccc1 ZINC000302171409 456306549 /nfs/dbraw/zinc/30/65/49/456306549.db2.gz UWODFFXYLAHNJI-KRWDZBQOSA-N 1 0 340.427 3.399 20 5 EGBDRO Cc1cc(N2CCC[C@H]([NH+](C)C)C2)c(Br)cc1[N+](=O)[O-] ZINC000302634475 456367674 /nfs/dbraw/zinc/36/76/74/456367674.db2.gz CQHJCDUMXBROOY-NSHDSACASA-N 1 0 342.237 3.196 20 5 EGBDRO Cc1cc(C[NH+](C)C)cc(NC(=O)c2ccc(F)cc2[N+](=O)[O-])c1 ZINC000340333163 456394695 /nfs/dbraw/zinc/39/46/95/456394695.db2.gz RYQDQOIYNGMJBB-UHFFFAOYSA-N 1 0 331.347 3.356 20 5 EGBDRO Cc1cc(C[NH+](C)C)cc(NC(=O)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000340335324 456398327 /nfs/dbraw/zinc/39/83/27/456398327.db2.gz BCCNPHFOGURYPX-UHFFFAOYSA-N 1 0 331.347 3.356 20 5 EGBDRO C[NH+](C)[C@H](CNc1c2c(ccc1[N+](=O)[O-])NCC2)Cc1ccccc1 ZINC000302819997 456409796 /nfs/dbraw/zinc/40/97/96/456409796.db2.gz CWKKLVSWNTZQEJ-HNNXBMFYSA-N 1 0 340.427 3.148 20 5 EGBDRO C[C@H]([NH2+][C@H]1CCC[C@H]1C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000282178770 456434273 /nfs/dbraw/zinc/43/42/73/456434273.db2.gz VPGPTHDDIHMDIN-NRUUGDAUSA-N 1 0 325.796 3.353 20 5 EGBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccc2ccccc2c1 ZINC000337656816 456462636 /nfs/dbraw/zinc/46/26/36/456462636.db2.gz GFVBHTSHOLRSII-UHFFFAOYSA-N 1 0 337.379 3.042 20 5 EGBDRO C[N@H+]1CC=C(CNCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000290914185 456465746 /nfs/dbraw/zinc/46/57/46/456465746.db2.gz PRKLMXUQWDAVRP-UHFFFAOYSA-N 1 0 330.215 3.253 20 5 EGBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1NCC1([NH+](C)C)CCOCC1 ZINC000276457671 456488001 /nfs/dbraw/zinc/48/80/01/456488001.db2.gz MODHDNGSWOBGJY-UHFFFAOYSA-N 1 0 327.812 3.079 20 5 EGBDRO CCC(CC)[C@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1C)[NH+](C)C ZINC000303817959 456489117 /nfs/dbraw/zinc/48/91/17/456489117.db2.gz MICIOUWWGSAOKF-INIZCTEOSA-N 1 0 336.436 3.391 20 5 EGBDRO CCC[C@H]([NH2+]Cc1cnn(CCOC)c1)c1cccc([N+](=O)[O-])c1 ZINC000282406088 456503600 /nfs/dbraw/zinc/50/36/00/456503600.db2.gz CBTKOMQTXIZDDT-KRWDZBQOSA-N 1 0 332.404 3.069 20 5 EGBDRO CC[C@H](C[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1)OC ZINC000353148998 456522896 /nfs/dbraw/zinc/52/28/96/456522896.db2.gz GZFAATGKXWPSKH-GFCCVEGCSA-N 1 0 334.372 3.378 20 5 EGBDRO CCC[N@H+](C)C[C@H]1CCN(c2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000276630837 456537194 /nfs/dbraw/zinc/53/71/94/456537194.db2.gz ODBCOUREUOJXMH-CQSZACIVSA-N 1 0 328.416 3.311 20 5 EGBDRO COC(=O)c1ccc([C@H](C)[N@H+](C)CCc2cccc([N+](=O)[O-])c2)o1 ZINC000282521472 456539655 /nfs/dbraw/zinc/53/96/55/456539655.db2.gz TZMJPWRZJJJIOX-LBPRGKRZSA-N 1 0 332.356 3.210 20 5 EGBDRO CCCC[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000309410722 456575473 /nfs/dbraw/zinc/57/54/73/456575473.db2.gz BSVIYBSTQPEBLY-UHFFFAOYSA-N 1 0 334.157 3.089 20 5 EGBDRO C[C@@H](Cn1cccn1)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000337900587 456592766 /nfs/dbraw/zinc/59/27/66/456592766.db2.gz PTDMCEACOSYMDT-ZDUSSCGKSA-N 1 0 326.356 3.230 20 5 EGBDRO CC(C)c1ccc(C[NH2+][C@@H]2CCO[C@@H]2c2nccn2C)cc1[N+](=O)[O-] ZINC000343405480 456597744 /nfs/dbraw/zinc/59/77/44/456597744.db2.gz SKMFVCGPIKYZGQ-WBVHZDCISA-N 1 0 344.415 3.072 20 5 EGBDRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000299098054 456605908 /nfs/dbraw/zinc/60/59/08/456605908.db2.gz UYFYRJDIJOXEKB-KBPBESRZSA-N 1 0 345.424 3.166 20 5 EGBDRO C[C@@H]([NH2+][C@H](C)c1ccc2[nH]c(=O)[nH]c2c1)c1ccc([N+](=O)[O-])cc1 ZINC000324614466 456671184 /nfs/dbraw/zinc/67/11/84/456671184.db2.gz LWRFGZUWQMJNHB-GHMZBOCLSA-N 1 0 326.356 3.176 20 5 EGBDRO Cc1cc(NCc2nnc(C(C)C)s2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000340768282 456674899 /nfs/dbraw/zinc/67/48/99/456674899.db2.gz APPBCKXQQFOFJW-UHFFFAOYSA-N 1 0 343.412 3.460 20 5 EGBDRO COc1ccc(C[NH2+][C@@H](C)[C@H]2OCCc3sccc32)cc1[N+](=O)[O-] ZINC000291648486 456706929 /nfs/dbraw/zinc/70/69/29/456706929.db2.gz CMAQGNOFFXVJKB-APPDUMDISA-N 1 0 348.424 3.457 20 5 EGBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 ZINC000277253108 456745350 /nfs/dbraw/zinc/74/53/50/456745350.db2.gz KOHLMVVUHONVNY-HNNXBMFYSA-N 1 0 347.459 3.449 20 5 EGBDRO CCCc1nc(C)c(CNCc2cc(OC)c(OC)cc2[N+](=O)[O-])o1 ZINC000291796438 456760480 /nfs/dbraw/zinc/76/04/80/456760480.db2.gz WSVLJNRFAYFANZ-UHFFFAOYSA-N 1 0 349.387 3.151 20 5 EGBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000340921658 456762616 /nfs/dbraw/zinc/76/26/16/456762616.db2.gz MGVIYISXUBGKSD-HNNXBMFYSA-N 1 0 335.452 3.329 20 5 EGBDRO COc1cccc(NC(=O)CC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000299728938 456774801 /nfs/dbraw/zinc/77/48/01/456774801.db2.gz VZRDDYXAYXNVFE-CYBMUJFWSA-N 1 0 343.383 3.283 20 5 EGBDRO CCCn1ccnc1CCC[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000277326552 456778355 /nfs/dbraw/zinc/77/83/55/456778355.db2.gz VJRZVKWCWXTIJK-UHFFFAOYSA-N 1 0 346.431 3.145 20 5 EGBDRO C[C@@H]1CCC[C@H]1C[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353593887 456790102 /nfs/dbraw/zinc/79/01/02/456790102.db2.gz LVEIOCOEUGDKQR-UKPHBRMFSA-N 1 0 328.416 3.444 20 5 EGBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000344219359 456808126 /nfs/dbraw/zinc/80/81/26/456808126.db2.gz PEXYHLZMQOAGDX-HUUCEWRRSA-N 1 0 333.432 3.205 20 5 EGBDRO CC[NH+](CC)[C@H](CNc1ncccc1[N+](=O)[O-])Cc1ccccc1 ZINC000338427634 456811711 /nfs/dbraw/zinc/81/17/11/456811711.db2.gz YJIASAZYQZREME-INIZCTEOSA-N 1 0 328.416 3.355 20 5 EGBDRO Cc1c(C[NH2+][C@@H](C)c2ccccc2-n2ccnn2)cccc1[N+](=O)[O-] ZINC000353689117 456854958 /nfs/dbraw/zinc/85/49/58/456854958.db2.gz PUBDXQPOBMJEGG-AWEZNQCLSA-N 1 0 337.383 3.335 20 5 EGBDRO C[C@@H]([NH2+]Cc1ccc(C[S@@](C)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000353793464 456908912 /nfs/dbraw/zinc/90/89/12/456908912.db2.gz JLGSNNZDVQADEX-JCQPUDPBSA-N 1 0 332.425 3.324 20 5 EGBDRO CCC[NH+]1CCC(NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000339037985 456909568 /nfs/dbraw/zinc/90/95/68/456909568.db2.gz ZYDWEJROJVGTCN-UHFFFAOYSA-N 1 0 340.811 3.244 20 5 EGBDRO COc1ccc(-c2ccc(C[N@@H+]3CC[C@@H](C)[C@@H](O)C3)o2)c([N+](=O)[O-])c1 ZINC000349407263 456963035 /nfs/dbraw/zinc/96/30/35/456963035.db2.gz NDLGYEWLDILTOZ-PXAZEXFGSA-N 1 0 346.383 3.066 20 5 EGBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@H](C)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000354015376 457010934 /nfs/dbraw/zinc/01/09/34/457010934.db2.gz RRXDNNDEWQRDHH-ZDUSSCGKSA-N 1 0 349.431 3.300 20 5 EGBDRO C[NH+]1CCN(Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC1 ZINC000359088674 457052662 /nfs/dbraw/zinc/05/26/62/457052662.db2.gz BMTPXMYDTJADAO-UHFFFAOYSA-N 1 0 345.374 3.274 20 5 EGBDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000330599576 457059964 /nfs/dbraw/zinc/05/99/64/457059964.db2.gz UGWKUTYVLCVMMN-GASCZTMLSA-N 1 0 347.459 3.010 20 5 EGBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000354136327 457088002 /nfs/dbraw/zinc/08/80/02/457088002.db2.gz IZNMMGKDZPMGGU-HOCLYGCPSA-N 1 0 348.447 3.138 20 5 EGBDRO CO[C@@H]1CCCN(c2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000359898331 457140111 /nfs/dbraw/zinc/14/01/11/457140111.db2.gz LEMYYKREKLVBBI-MRXNPFEDSA-N 1 0 342.399 3.366 20 5 EGBDRO COc1ccc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)c(C)c1OC ZINC000342176331 457151684 /nfs/dbraw/zinc/15/16/84/457151684.db2.gz WLBFIYWBCICVTI-UHFFFAOYSA-N 1 0 330.384 3.253 20 5 EGBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@@H](c1cccs1)C1CC1 ZINC000342299437 457222852 /nfs/dbraw/zinc/22/28/52/457222852.db2.gz BFOCQUNBGIYDPJ-SUMWQHHRSA-N 1 0 348.424 3.137 20 5 EGBDRO CC1CCC([NH+]2CCN(C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000360053408 457228494 /nfs/dbraw/zinc/22/84/94/457228494.db2.gz MOLPWVINMHKCMV-UHFFFAOYSA-N 1 0 346.431 3.323 20 5 EGBDRO CCOc1cc(C[NH2+][C@H](C(C)C)C2(CO)CCC2)ccc1[N+](=O)[O-] ZINC000339730959 457238277 /nfs/dbraw/zinc/23/82/77/457238277.db2.gz VWEDIQBEYNWBJP-QGZVFWFLSA-N 1 0 336.432 3.270 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[NH+]2CCC(Cc3cccnc3)CC2)cc1 ZINC000357022457 457283210 /nfs/dbraw/zinc/28/32/10/457283210.db2.gz JTIIKGDXURFMSE-UHFFFAOYSA-N 1 0 325.412 3.487 20 5 EGBDRO C[C@@H](C1CCC1)[N@H+](C)CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000357034777 457289874 /nfs/dbraw/zinc/28/98/74/457289874.db2.gz JFFBIIZGCWRWNG-LBPRGKRZSA-N 1 0 333.388 3.013 20 5 EGBDRO C[C@H]1C[NH+](CCCCNc2c(F)cccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000342501149 457337676 /nfs/dbraw/zinc/33/76/76/457337676.db2.gz AFAHKYLPKLRUFB-STQMWFEESA-N 1 0 325.384 3.035 20 5 EGBDRO C[NH+](C)[C@H](CNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)c1ccccc1 ZINC000347320318 457350938 /nfs/dbraw/zinc/35/09/38/457350938.db2.gz WVUIEXXISOEAEG-MRXNPFEDSA-N 1 0 346.362 3.158 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000332383598 457359005 /nfs/dbraw/zinc/35/90/05/457359005.db2.gz HYBOPPDMBRQVOC-HNNXBMFYSA-N 1 0 346.431 3.208 20 5 EGBDRO CC(=O)N[C@H](C)C1CC[NH+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000347370182 457380834 /nfs/dbraw/zinc/38/08/34/457380834.db2.gz ITWICZSXYMTOKK-ATGUSINASA-N 1 0 345.443 3.235 20 5 EGBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]C3CCC4(CCCO4)CC3)nc2c1 ZINC000373913243 457398335 /nfs/dbraw/zinc/39/83/35/457398335.db2.gz SRMSUJDHLNDULC-UHFFFAOYSA-N 1 0 330.388 3.053 20 5 EGBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@H](CC(C)C)[NH+](CC)CC ZINC000360880690 457403878 /nfs/dbraw/zinc/40/38/78/457403878.db2.gz AKEMXXJYGBFXGR-AWEZNQCLSA-N 1 0 325.457 3.288 20 5 EGBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](c3ccco3)C2)c2c(c1)COCO2 ZINC000374008603 457436969 /nfs/dbraw/zinc/43/69/69/457436969.db2.gz RDXBPDRZSGIORD-GFCCVEGCSA-N 1 0 330.340 3.044 20 5 EGBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cccc2c1OCCO2 ZINC000352543434 457452991 /nfs/dbraw/zinc/45/29/91/457452991.db2.gz FHAULWGMMFVKGR-UHFFFAOYSA-N 1 0 328.368 3.041 20 5 EGBDRO [NH3+]CCCN(CC1CCCC1)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000357358019 457470683 /nfs/dbraw/zinc/47/06/83/457470683.db2.gz VYISFIYFNCCXOY-UHFFFAOYSA-N 1 0 345.399 3.322 20 5 EGBDRO C[S@](=O)C[C@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000360964732 457472095 /nfs/dbraw/zinc/47/20/95/457472095.db2.gz XHOVSHLPHOTYNZ-KWPBTDGCSA-N 1 0 344.436 3.317 20 5 EGBDRO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])c(N)c1F)c1cccc(F)c1 ZINC000356192823 457521258 /nfs/dbraw/zinc/52/12/58/457521258.db2.gz OIHPCOKLUAVFNY-AWEZNQCLSA-N 1 0 336.342 3.170 20 5 EGBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000361045886 457540412 /nfs/dbraw/zinc/54/04/12/457540412.db2.gz ZDSVFUZXLSUHLU-BBRMVZONSA-N 1 0 343.431 3.195 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)C[C@@H](O)Cc1ccccc1 ZINC000433045483 457651197 /nfs/dbraw/zinc/65/11/97/457651197.db2.gz MDMOFIAMBOXAJZ-YJBOKZPZSA-N 1 0 328.412 3.500 20 5 EGBDRO Cc1cnc(NC[C@H]2CCC[N@@H+]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000361259618 457669576 /nfs/dbraw/zinc/66/95/76/457669576.db2.gz CFRWKAGPHKAMOA-MRXNPFEDSA-N 1 0 326.400 3.375 20 5 EGBDRO Cc1c(C[N@@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)cccc1[N+](=O)[O-] ZINC000374882381 457726667 /nfs/dbraw/zinc/72/66/67/457726667.db2.gz XEMUCQPJNMVMPR-SFHVURJKSA-N 1 0 330.359 3.136 20 5 EGBDRO C[C@H]([NH2+][C@H]1CC(=O)N(C)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000358083293 457774038 /nfs/dbraw/zinc/77/40/38/457774038.db2.gz KRIBHSQPOUQJLE-RYUDHWBXSA-N 1 0 345.424 3.205 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](C)C[C@H](C)C1 ZINC000443644570 457796669 /nfs/dbraw/zinc/79/66/69/457796669.db2.gz YNORTPQAJMPURX-KBPBESRZSA-N 1 0 349.431 3.300 20 5 EGBDRO COc1ccc(-c2ccc(C[N@@H+]3CC[C@@H](C)[C@H]3CO)o2)c([N+](=O)[O-])c1 ZINC000443857984 457817708 /nfs/dbraw/zinc/81/77/08/457817708.db2.gz VWOYMWGSXWJUFO-SJKOYZFVSA-N 1 0 346.383 3.066 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]CC[S@@](=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000358171453 457832598 /nfs/dbraw/zinc/83/25/98/457832598.db2.gz GRJGKEUEVQJGGQ-LFVRLGFBSA-N 1 0 332.425 3.362 20 5 EGBDRO COc1cc(C[N@@H+]2CC[C@@H](c3ccco3)C2)c([N+](=O)[O-])cc1OC ZINC000371331742 457872087 /nfs/dbraw/zinc/87/20/87/457872087.db2.gz KLZYANVQMAKOFI-GFCCVEGCSA-N 1 0 332.356 3.195 20 5 EGBDRO COc1ccc(NC(=O)CC[N@H+](C)[C@@H]2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000411608648 457928651 /nfs/dbraw/zinc/92/86/51/457928651.db2.gz GRKFIYYCEPNNFH-CZUORRHYSA-N 1 0 349.431 3.443 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000411618068 457930284 /nfs/dbraw/zinc/93/02/84/457930284.db2.gz VZUSZLVKCUSKPH-XJKSGUPXSA-N 1 0 349.431 3.443 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@@H]1CC[C@@H](C)C1 ZINC000411632737 457935344 /nfs/dbraw/zinc/93/53/44/457935344.db2.gz GSPBVHINWXGBKK-CHWSQXEVSA-N 1 0 335.404 3.052 20 5 EGBDRO Cc1c(C[N@@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000444729875 457958530 /nfs/dbraw/zinc/95/85/30/457958530.db2.gz IGTGVPUFJFFWCW-GXTWGEPZSA-N 1 0 332.322 3.038 20 5 EGBDRO Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2)ccc1OCC[NH+](C)C ZINC000458192001 457963670 /nfs/dbraw/zinc/96/36/70/457963670.db2.gz DKDDKBORYWDLMX-UHFFFAOYSA-N 1 0 343.383 3.096 20 5 EGBDRO CC(C)[C@@H]1CCC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000444751712 457966340 /nfs/dbraw/zinc/96/63/40/457966340.db2.gz QHUXJAGUXHHHOH-CQSZACIVSA-N 1 0 347.415 3.261 20 5 EGBDRO Cc1ccccc1O[C@H]1CCCC[C@@H]1[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000362029167 458012885 /nfs/dbraw/zinc/01/28/85/458012885.db2.gz RWZQJBXJBRWEGK-YOEHRIQHSA-N 1 0 344.415 3.117 20 5 EGBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000458882572 458204465 /nfs/dbraw/zinc/20/44/65/458204465.db2.gz AZLRSMNKIDKIQR-KEYYUXOJSA-N 1 0 348.447 3.170 20 5 EGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(F)cc2F)n1 ZINC000447539086 458307309 /nfs/dbraw/zinc/30/73/09/458307309.db2.gz FLQCVWNGCOXBGL-HUUCEWRRSA-N 1 0 336.342 3.343 20 5 EGBDRO COCc1ccccc1C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447544585 458309378 /nfs/dbraw/zinc/30/93/78/458309378.db2.gz UVXGYWMKDHMADZ-SJORKVTESA-N 1 0 344.415 3.211 20 5 EGBDRO COc1cc(NC[C@H]2[N@H+](C)CCCC2(C)C)c(F)cc1[N+](=O)[O-] ZINC000447814899 458346401 /nfs/dbraw/zinc/34/64/01/458346401.db2.gz ATWFZYCZHFMPLO-OAHLLOKOSA-N 1 0 325.384 3.275 20 5 EGBDRO C[NH+](C)C[C@@H]1CCc2ccccc2N1C(=O)c1ccccc1[N+](=O)[O-] ZINC000436725550 458368390 /nfs/dbraw/zinc/36/83/90/458368390.db2.gz SGEYZFKIACLNHT-HNNXBMFYSA-N 1 0 339.395 3.118 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](CCO)[C@H]1CCc2ccccc21 ZINC000430206650 458420704 /nfs/dbraw/zinc/42/07/04/458420704.db2.gz KOUWHJNUIKJDID-SFHVURJKSA-N 1 0 342.395 3.085 20 5 EGBDRO CCCn1nc(C)c(CN2CC(Oc3ccc([N+](=O)[O-])cc3)C2)c1C ZINC000459619815 458428826 /nfs/dbraw/zinc/42/88/26/458428826.db2.gz JERPUUJXKXGZGW-UHFFFAOYSA-N 1 0 344.415 3.081 20 5 EGBDRO O=[N+]([O-])c1ccc(OC2CN(Cc3scnc3C3CC3)C2)cc1 ZINC000459617043 458429076 /nfs/dbraw/zinc/42/90/76/458429076.db2.gz BOOQOGMOCDCILO-UHFFFAOYSA-N 1 0 331.397 3.192 20 5 EGBDRO C[C@H]([N@H+](C)CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C1(C)CC1 ZINC000437539605 458464636 /nfs/dbraw/zinc/46/46/36/458464636.db2.gz TXVNDLNQUBPXNQ-LBPRGKRZSA-N 1 0 333.388 3.013 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccc(N(C)C)nc1 ZINC000468628465 458528366 /nfs/dbraw/zinc/52/83/66/458528366.db2.gz QGHIAQFIFALXQS-NTEUORMPSA-N 1 0 326.400 3.249 20 5 EGBDRO CC(C)c1ccc(C[C@H]2CC[N@H+](CCn3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000460975539 458544245 /nfs/dbraw/zinc/54/42/45/458544245.db2.gz AOJRQPUCMJKYEU-QGZVFWFLSA-N 1 0 342.443 3.479 20 5 EGBDRO CCSCCC[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000502299164 458643804 /nfs/dbraw/zinc/64/38/04/458643804.db2.gz GJSOYJFINUXOAJ-LBPRGKRZSA-N 1 0 325.434 3.045 20 5 EGBDRO O=[N+]([O-])c1ccc2nc(N[C@@H]3CC[N@H+](CC4CCCC4)C3)ccc2c1 ZINC000462940867 458667132 /nfs/dbraw/zinc/66/71/32/458667132.db2.gz CTIMSZHUZKJKIL-MRXNPFEDSA-N 1 0 340.427 3.241 20 5 EGBDRO COc1ccc(-c2ccc(C[NH2+][C@@H]3C[C@H](O)C3(C)C)o2)c([N+](=O)[O-])c1 ZINC000494469397 458684330 /nfs/dbraw/zinc/68/43/30/458684330.db2.gz CNJZFZUHDVRMRU-SJORKVTESA-N 1 0 346.383 3.112 20 5 EGBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1ccnc2c1cccc2[N+](=O)[O-] ZINC000432158533 458691890 /nfs/dbraw/zinc/69/18/90/458691890.db2.gz WNLPDONBOZAWKF-ZIAGYGMSSA-N 1 0 326.400 3.206 20 5 EGBDRO CC(C)c1ccc(C(=O)NCC[N@@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000439412164 458698224 /nfs/dbraw/zinc/69/82/24/458698224.db2.gz PPGWOENTCUPGKD-AWEZNQCLSA-N 1 0 333.432 3.180 20 5 EGBDRO C[C@H]1C[NH+](CCCNc2ccnc3c2cccc3[N+](=O)[O-])C[C@H](C)O1 ZINC000432326297 458717342 /nfs/dbraw/zinc/71/73/42/458717342.db2.gz OVMVYISEPXPPQW-KBPBESRZSA-N 1 0 344.415 3.054 20 5 EGBDRO CCc1ccc(C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000471788692 458730576 /nfs/dbraw/zinc/73/05/76/458730576.db2.gz OGEAHRBXKMQNCQ-UONOGXRCSA-N 1 0 333.432 3.007 20 5 EGBDRO Cn1cc(C(C)(C)NCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)cn1 ZINC000547413763 458734284 /nfs/dbraw/zinc/73/42/84/458734284.db2.gz SDTJJOFNRIRFFA-UHFFFAOYSA-N 1 0 341.371 3.008 20 5 EGBDRO CC(C)c1ccc(C(=O)N[C@H]2CCC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000439728725 458746043 /nfs/dbraw/zinc/74/60/43/458746043.db2.gz HYSQDWXLVJOYTI-HNNXBMFYSA-N 1 0 333.432 3.321 20 5 EGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1Cc2cccc(O)c2C1 ZINC000433040085 458832705 /nfs/dbraw/zinc/83/27/05/458832705.db2.gz PDHNCKGHOUQKBY-BBRMVZONSA-N 1 0 326.396 3.379 20 5 EGBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](CCCC2CCCC2)CC1 ZINC000440658880 458840191 /nfs/dbraw/zinc/84/01/91/458840191.db2.gz JMOYXFOCEFLIIN-UHFFFAOYSA-N 1 0 345.443 3.323 20 5 EGBDRO CCC1CCC(NCCc2ccc([N+](=O)[O-])cc2)(C(=O)OC)CC1 ZINC000440910187 458864574 /nfs/dbraw/zinc/86/45/74/458864574.db2.gz HODQDQCFVFMSMZ-UHFFFAOYSA-N 1 0 334.416 3.239 20 5 EGBDRO CC[C@@H]1CCCCN1CC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000556064321 458925306 /nfs/dbraw/zinc/92/53/06/458925306.db2.gz YKBRRDUQAGBPTK-IKGGRYGDSA-N 1 0 349.479 3.129 20 5 EGBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)C1 ZINC000475582651 458953718 /nfs/dbraw/zinc/95/37/18/458953718.db2.gz LHMFOEUHEZJZQJ-HNNXBMFYSA-N 1 0 348.447 3.407 20 5 EGBDRO CCOC(=O)c1cc(NCC[NH+](C(C)C)C(C)C)ccc1[N+](=O)[O-] ZINC000467746009 458984321 /nfs/dbraw/zinc/98/43/21/458984321.db2.gz MTQAMKUKBJWNIS-UHFFFAOYSA-N 1 0 337.420 3.302 20 5 EGBDRO C[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)C(=O)OC(C)(C)C ZINC000594514916 459072397 /nfs/dbraw/zinc/07/23/97/459072397.db2.gz MGMJMHRGPMEGIG-JTQLQIEISA-N 1 0 328.796 3.316 20 5 EGBDRO O=[N+]([O-])c1cnc(N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c(C(F)(F)F)c1 ZINC000594596660 459102985 /nfs/dbraw/zinc/10/29/85/459102985.db2.gz AZVSQQMRWZSSAI-OLZOCXBDSA-N 1 0 344.337 3.437 20 5 EGBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH2+]C3(CCCCC3)C2)c1 ZINC000594628766 459117737 /nfs/dbraw/zinc/11/77/37/459117737.db2.gz IZLMZRWPWLEYDB-UHFFFAOYSA-N 1 0 349.456 3.065 20 5 EGBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000521438225 459152785 /nfs/dbraw/zinc/15/27/85/459152785.db2.gz XNTBNWGNUPAOML-STQMWFEESA-N 1 0 342.399 3.194 20 5 EGBDRO Cc1ccc(NC(=O)N[C@H](C)C[NH+]2CCCCCC2)cc1[N+](=O)[O-] ZINC000479772816 459165922 /nfs/dbraw/zinc/16/59/22/459165922.db2.gz JWVWQJCBPNCYIG-CQSZACIVSA-N 1 0 334.420 3.289 20 5 EGBDRO CCc1ccc(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])s1 ZINC000558573467 459175359 /nfs/dbraw/zinc/17/53/59/459175359.db2.gz ZNVWKZBQYAUUHE-UHFFFAOYSA-N 1 0 333.413 3.337 20 5 EGBDRO C[C@@H]1[C@H](O)CC[N@@H+]1Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000590661392 459175566 /nfs/dbraw/zinc/17/55/66/459175566.db2.gz BMPNHMNMJNSJCS-SJKOYZFVSA-N 1 0 346.358 3.481 20 5 EGBDRO C[C@H](C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000558578056 459176522 /nfs/dbraw/zinc/17/65/22/459176522.db2.gz KLOSEHCFHWRCJH-CYBMUJFWSA-N 1 0 345.374 3.456 20 5 EGBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)[C@H]1Oc1ccccc1 ZINC000480192331 459187053 /nfs/dbraw/zinc/18/70/53/459187053.db2.gz CIDJMSBOQSFFHE-GUDVDZBRSA-N 1 0 342.395 3.309 20 5 EGBDRO CC(C)c1ccc(C[NH2+]C2CCN([C@@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000594992586 459209261 /nfs/dbraw/zinc/20/92/61/459209261.db2.gz GYUFQPFJHGRESL-QGZVFWFLSA-N 1 0 347.459 3.061 20 5 EGBDRO Cc1ccc(C[NH2+]C[C@H]2CCN2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000594998082 459210059 /nfs/dbraw/zinc/21/00/59/459210059.db2.gz GKFLHUYKJLRILD-GOSISDBHSA-N 1 0 325.412 3.267 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCC(=O)NC1CCCCC1 ZINC000595016286 459216265 /nfs/dbraw/zinc/21/62/65/459216265.db2.gz KBDHLBSIEMPNGI-CYBMUJFWSA-N 1 0 349.431 3.093 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](C)COCC(F)(F)F ZINC000595018039 459216390 /nfs/dbraw/zinc/21/63/90/459216390.db2.gz ZXNAXPLXUOVAQB-ZJUUUORDSA-N 1 0 336.310 3.221 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000595017759 459216755 /nfs/dbraw/zinc/21/67/55/459216755.db2.gz OENUITCNTNUSOQ-HUUCEWRRSA-N 1 0 335.448 3.376 20 5 EGBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCCn3nccc32)cc(C(F)(F)F)c1 ZINC000595039272 459225613 /nfs/dbraw/zinc/22/56/13/459225613.db2.gz FMACMWVJLCJETD-ZDUSSCGKSA-N 1 0 340.305 3.435 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](CO)Cc1cccc(C)c1 ZINC000595042597 459225769 /nfs/dbraw/zinc/22/57/69/459225769.db2.gz ULYKYGDIXBHAFZ-HOCLYGCPSA-N 1 0 344.411 3.166 20 5 EGBDRO C[S@](=O)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000595062218 459231696 /nfs/dbraw/zinc/23/16/96/459231696.db2.gz SDERWZQWGBMIAX-KKFCHPHFSA-N 1 0 336.457 3.252 20 5 EGBDRO CC[C@@H](C)[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000533426948 459234042 /nfs/dbraw/zinc/23/40/42/459234042.db2.gz PBYZMYQSGCSSJL-CZUORRHYSA-N 1 0 349.431 3.443 20 5 EGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC[C@@H]([S@@](C)=O)C1 ZINC000595075225 459238506 /nfs/dbraw/zinc/23/85/06/459238506.db2.gz YSKYEUXBPBUMQI-UAYQAUMTSA-N 1 0 338.473 3.195 20 5 EGBDRO CCOc1ccc(NC(=O)C[NH2+][C@H]2CCCC[C@@H]2CC)c([N+](=O)[O-])c1 ZINC000481210557 459238692 /nfs/dbraw/zinc/23/86/92/459238692.db2.gz WCELNFNQIWYSAU-ZFWWWQNUSA-N 1 0 349.431 3.490 20 5 EGBDRO CC/C=C\CC[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000481209355 459239064 /nfs/dbraw/zinc/23/90/64/459239064.db2.gz UBFBADKQHBJPCC-ARJAWSKDSA-N 1 0 343.431 3.340 20 5 EGBDRO CC(C)(C)N1C[C@@H](C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1=O ZINC000595098605 459244284 /nfs/dbraw/zinc/24/42/84/459244284.db2.gz CCLLRIIMYQLCDI-DYVFJYSZSA-N 1 0 345.443 3.209 20 5 EGBDRO CC[C@@H]1[C@H](C)CC[N@@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000481407414 459252685 /nfs/dbraw/zinc/25/26/85/459252685.db2.gz YPQAVFQMMTVUKU-ZWNOBZJWSA-N 1 0 325.796 3.307 20 5 EGBDRO Cc1noc(CN(C)CCOc2cccc(Cl)c2)c1[N+](=O)[O-] ZINC000595284872 459266794 /nfs/dbraw/zinc/26/67/94/459266794.db2.gz HWMFYFZYMCGBTD-UHFFFAOYSA-N 1 0 325.752 3.055 20 5 EGBDRO COc1ccc(C[C@@H](C)CN(C)Cc2onc(C)c2[N+](=O)[O-])cc1 ZINC000595401801 459290951 /nfs/dbraw/zinc/29/09/51/459290951.db2.gz FTXNUUUWFCLXFR-GFCCVEGCSA-N 1 0 333.388 3.210 20 5 EGBDRO COc1ccc(C[C@H](C)CN(C)Cc2onc(C)c2[N+](=O)[O-])cc1 ZINC000595401802 459291180 /nfs/dbraw/zinc/29/11/80/459291180.db2.gz FTXNUUUWFCLXFR-LBPRGKRZSA-N 1 0 333.388 3.210 20 5 EGBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)cc1 ZINC000591046181 459300660 /nfs/dbraw/zinc/30/06/60/459300660.db2.gz ASSNGYOCZWZYMC-PKOBYXMFSA-N 1 0 342.395 3.172 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CC[C@H](C4CCC4)C3)n2)c1 ZINC000591061876 459302725 /nfs/dbraw/zinc/30/27/25/459302725.db2.gz MBZSAAPLBCDGDC-AWEZNQCLSA-N 1 0 328.372 3.267 20 5 EGBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCCC3(CCCCC3)C2)c1 ZINC000523590849 459314459 /nfs/dbraw/zinc/31/44/59/459314459.db2.gz GQOZYZFIOHZOSZ-QGZVFWFLSA-N 1 0 348.443 3.381 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H](CO)Cc1ccco1)CCCC2 ZINC000591347990 459358480 /nfs/dbraw/zinc/35/84/80/459358480.db2.gz PLWVAHHXMBTJNX-AUUYWEPGSA-N 1 0 344.411 3.396 20 5 EGBDRO C[C@H](O)[C@H]1CCCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000540962245 459411349 /nfs/dbraw/zinc/41/13/49/459411349.db2.gz YOYRUEYVWBYREL-JSGCOSHPSA-N 1 0 347.440 3.311 20 5 EGBDRO [NH3+]C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1)C1CC1 ZINC000591678701 459421611 /nfs/dbraw/zinc/42/16/11/459421611.db2.gz DWKJTLFTELREKO-HNNXBMFYSA-N 1 0 349.456 3.097 20 5 EGBDRO COCCNc1ccc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000569258747 459424046 /nfs/dbraw/zinc/42/40/46/459424046.db2.gz KQHLQJXHIQPTML-GOSISDBHSA-N 1 0 341.411 3.430 20 5 EGBDRO Cc1ccccc1O[C@H]1CCCC[C@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000484659103 459425517 /nfs/dbraw/zinc/42/55/17/459425517.db2.gz YCAMJJZEBSHILS-WBVHZDCISA-N 1 0 344.415 3.080 20 5 EGBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000595752659 459426085 /nfs/dbraw/zinc/42/60/85/459426085.db2.gz KUWAJSGNTZMNBQ-FUHWJXTLSA-N 1 0 344.386 3.332 20 5 EGBDRO COC(=O)[C@H]1CCCC[C@]1(C)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000541119980 459430142 /nfs/dbraw/zinc/43/01/42/459430142.db2.gz NILYQVHHRBYJTN-CJNGLKHVSA-N 1 0 340.807 3.460 20 5 EGBDRO C[C@@H]1C[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC(C)(C)C1 ZINC000541321000 459444015 /nfs/dbraw/zinc/44/40/15/459444015.db2.gz OZLDLXQPNOLQFM-ZDUSSCGKSA-N 1 0 347.415 3.261 20 5 EGBDRO O=[N+]([O-])c1ccsc1N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000591829883 459451106 /nfs/dbraw/zinc/45/11/06/459451106.db2.gz PENCLEAHIHWEBP-GOEBONIOSA-N 1 0 329.425 3.367 20 5 EGBDRO C[NH+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)C1 ZINC000485394597 459453075 /nfs/dbraw/zinc/45/30/75/459453075.db2.gz IXEYYHZGQRTQOR-ZDUSSCGKSA-N 1 0 344.390 3.184 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000595829962 459456756 /nfs/dbraw/zinc/45/67/56/459456756.db2.gz BTZIEXTZZMRABG-QGZVFWFLSA-N 1 0 328.368 3.257 20 5 EGBDRO C[C@H](C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000497217704 459490798 /nfs/dbraw/zinc/49/07/98/459490798.db2.gz FAXYNMSRNWKXHC-GFCCVEGCSA-N 1 0 337.420 3.333 20 5 EGBDRO CCC[C@@H](C)[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000486802829 459523701 /nfs/dbraw/zinc/52/37/01/459523701.db2.gz WZRYAKGKCDHNEV-CZUORRHYSA-N 1 0 349.431 3.443 20 5 EGBDRO C[C@@H]1C[C@@H](Nc2cc[nH]c(=O)c2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000596152709 459539649 /nfs/dbraw/zinc/53/96/49/459539649.db2.gz LQIIYUOKYDXTFC-HIFRSBDPSA-N 1 0 342.399 3.160 20 5 EGBDRO C[C@@H](C(=O)N(CC[NH+](C)C)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000584090589 459650889 /nfs/dbraw/zinc/65/08/89/459650889.db2.gz OBUSHAMIOHRURU-OAHLLOKOSA-N 1 0 347.459 3.421 20 5 EGBDRO C[C@H](C[NH+]1CCC(C)CC1)Nc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000596487665 459654111 /nfs/dbraw/zinc/65/41/11/459654111.db2.gz JMBYUMJIULGMEZ-CYBMUJFWSA-N 1 0 329.404 3.070 20 5 EGBDRO CS[C@H](C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000573359884 459666017 /nfs/dbraw/zinc/66/60/17/459666017.db2.gz PUWXZGSSBGWPPU-CQSZACIVSA-N 1 0 339.461 3.291 20 5 EGBDRO CC(=O)c1cc(NC[C@@H]2CCC[N@H+](CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000596571738 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349.431 3.298 20 5 EGBDRO O=[N+]([O-])c1cnc(Nc2ccc(CC[NH+]3CCCCC3)cc2)nc1 ZINC000544857209 459788451 /nfs/dbraw/zinc/78/84/51/459788451.db2.gz BCJAXJRBHNMGIF-UHFFFAOYSA-N 1 0 327.388 3.157 20 5 EGBDRO C[C@H]([NH2+][C@@H]1CCC[C@@H](N2CCCC2=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000574466189 459822666 /nfs/dbraw/zinc/82/26/66/459822666.db2.gz UMPHYJNCXVTOOH-YSVLISHTSA-N 1 0 331.416 3.179 20 5 EGBDRO COC(=O)c1oc(C[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)cc1C ZINC000597060392 459828857 /nfs/dbraw/zinc/82/88/57/459828857.db2.gz SHNFYJCEMXZBQQ-UHFFFAOYSA-N 1 0 346.383 3.395 20 5 EGBDRO CCOc1ccc(NC(=O)CN2CC[C@@H](C)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000545416860 459831202 /nfs/dbraw/zinc/83/12/02/459831202.db2.gz KIAHNCRTXKTTRX-CYBMUJFWSA-N 1 0 349.431 3.300 20 5 EGBDRO C[C@H](C(=O)NCc1ccc(C[NH+](C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000574825025 459878841 /nfs/dbraw/zinc/87/88/41/459878841.db2.gz CLEJVONNBVRASW-AWEZNQCLSA-N 1 0 341.411 3.076 20 5 EGBDRO C[N@H+](Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)C1(CO)CC1 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460057958 /nfs/dbraw/zinc/05/79/58/460057958.db2.gz FVKZWQQUAIBCKA-UHFFFAOYSA-N 1 0 349.250 3.468 20 5 EGBDRO C[C@@H]1CCC[C@]1(O)C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602677081 460060373 /nfs/dbraw/zinc/06/03/73/460060373.db2.gz RXNOJFZIOZTVOE-PELKAZGASA-N 1 0 349.250 3.060 20 5 EGBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@H]3[C@@H]3CCCOC3)nc2c1 ZINC000602703020 460074554 /nfs/dbraw/zinc/07/45/54/460074554.db2.gz XHHMFHQXXNUAQG-DOMZBBRYSA-N 1 0 331.372 3.127 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594057761 460079222 /nfs/dbraw/zinc/07/92/22/460079222.db2.gz ACQNJDGFWVQCBP-GDBMZVCRSA-N 1 0 332.404 3.042 20 5 EGBDRO CC(=O)NCC[C@@H]1CCC[N@@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000576314070 460114670 /nfs/dbraw/zinc/11/46/70/460114670.db2.gz CVGDFAIRBYYONK-INIZCTEOSA-N 1 0 347.459 3.456 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCS[C@@H](C)[C@@H]1c1ccccc1 ZINC000602780975 460122665 /nfs/dbraw/zinc/12/26/65/460122665.db2.gz MKKDDRPVTHXAOJ-SUMWQHHRSA-N 1 0 346.456 3.278 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000602785491 460124353 /nfs/dbraw/zinc/12/43/53/460124353.db2.gz QANQZDBUZKMDCI-OAHLLOKOSA-N 1 0 346.456 3.214 20 5 EGBDRO CC(C)(C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccccc1[N+](=O)[O-] ZINC000594196745 460143577 /nfs/dbraw/zinc/14/35/77/460143577.db2.gz MECMSRBZQXDRRI-DOTOQJQBSA-N 1 0 345.443 3.006 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@@H](c2ccc(C)cc2)C[C@H]1C ZINC000602819389 460144413 /nfs/dbraw/zinc/14/44/13/460144413.db2.gz ARHGAAXHAWNQEG-PBHICJAKSA-N 1 0 328.416 3.286 20 5 EGBDRO CSc1cccc(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000594197467 460145533 /nfs/dbraw/zinc/14/55/33/460145533.db2.gz OJZHCFFCHMSDMX-KGLIPLIRSA-N 1 0 349.456 3.063 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1 ZINC000599081400 460154735 /nfs/dbraw/zinc/15/47/35/460154735.db2.gz KDJQBVLARMWZDS-NJAPINKUSA-N 1 0 343.383 3.185 20 5 EGBDRO C[C@H]([NH2+][C@@H]1CCOC[C@H]1O)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000599080975 460154973 /nfs/dbraw/zinc/15/49/73/460154973.db2.gz MMFRDRZVEXHGNM-NJZAAPMLSA-N 1 0 348.424 3.124 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCC[N@@H+]1CCCC1(C)C ZINC000602880633 460168605 /nfs/dbraw/zinc/16/86/05/460168605.db2.gz BMTLOGSYOJOWLK-UHFFFAOYSA-N 1 0 334.420 3.208 20 5 EGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CC[C@H]1COc2ccccc2O1 ZINC000576597173 460176095 /nfs/dbraw/zinc/17/60/95/460176095.db2.gz JTZTUSWHDLOZKB-XJKSGUPXSA-N 1 0 340.379 3.402 20 5 EGBDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000610543138 460180691 /nfs/dbraw/zinc/18/06/91/460180691.db2.gz NWXBBFDLVGSCQR-GOSISDBHSA-N 1 0 343.402 3.440 20 5 EGBDRO CN(C)CC[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000610560154 460184710 /nfs/dbraw/zinc/18/47/10/460184710.db2.gz IVVNPRMXPGZHAO-UHFFFAOYSA-N 1 0 327.428 3.201 20 5 EGBDRO CCC(C)(C)[NH+]1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC000594389463 460203320 /nfs/dbraw/zinc/20/33/20/460203320.db2.gz IXPDHSDXRVNBAY-UHFFFAOYSA-N 1 0 344.415 3.023 20 5 EGBDRO Cc1ccc([C@@H](C)NC(=O)N2CCC[C@H]([NH2+]C(C)C)C2)cc1[N+](=O)[O-] ZINC000610644683 460204249 /nfs/dbraw/zinc/20/42/49/460204249.db2.gz IQBSWGPLZJEMHK-ZBFHGGJFSA-N 1 0 348.447 3.136 20 5 EGBDRO COC1(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CCOCC1 ZINC000618986690 460243628 /nfs/dbraw/zinc/24/36/28/460243628.db2.gz PJTKGCYRLYOJNP-INIZCTEOSA-N 1 0 334.416 3.102 20 5 EGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])n1cc(C[NH2+]C2CCCCC2)nn1 ZINC000603210570 460264718 /nfs/dbraw/zinc/26/47/18/460264718.db2.gz DUBGRNDJJDWOQQ-ZDUSSCGKSA-N 1 0 329.404 3.218 20 5 EGBDRO C[C@@H]1CC(F)(F)CC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000599621605 460289445 /nfs/dbraw/zinc/28/94/45/460289445.db2.gz BQGWQODRSIBXBS-LLVKDONJSA-N 1 0 327.331 3.043 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCC12CCCCC2 ZINC000611153822 460297169 /nfs/dbraw/zinc/29/71/69/460297169.db2.gz WDAGBQQGABUFBU-UHFFFAOYSA-N 1 0 347.415 3.341 20 5 EGBDRO COc1ccc([C@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)C2CC2)cn1 ZINC000599702662 460316202 /nfs/dbraw/zinc/31/62/02/460316202.db2.gz XOEBBICAHKIMCC-GOSISDBHSA-N 1 0 343.383 3.118 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(CN3C[C@@H]4C[NH2+]C[C@H]4C3)o2)c(Cl)c1 ZINC000611287812 460330776 /nfs/dbraw/zinc/33/07/76/460330776.db2.gz PKVUXWYJZONPIQ-RYUDHWBXSA-N 1 0 347.802 3.159 20 5 EGBDRO COc1cc(N2CCC[C@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)ccc1[N+](=O)[O-] ZINC000611370331 460346514 /nfs/dbraw/zinc/34/65/14/460346514.db2.gz CCGZOIZECGOHGZ-LZWOXQAQSA-N 1 0 333.432 3.445 20 5 EGBDRO COc1ccc(C[NH+](C)C)cc1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000603959900 460364869 /nfs/dbraw/zinc/36/48/69/460364869.db2.gz UFNQQWVCHHBUMS-UHFFFAOYSA-N 1 0 347.346 3.056 20 5 EGBDRO C[N@@H+]1CC[C@H]2CCN(c3ccc([N+](=O)[O-])c(OC(C)(C)C)c3)[C@@H]2C1 ZINC000611510178 460383184 /nfs/dbraw/zinc/38/31/84/460383184.db2.gz CDNMZPIWBUKPTQ-XJKSGUPXSA-N 1 0 333.432 3.303 20 5 EGBDRO O=[N+]([O-])c1ccc(NCC2([NH+]3CCSCC3)CCCC2)s1 ZINC000604409325 460422022 /nfs/dbraw/zinc/42/20/22/460422022.db2.gz ZCGBKRMXYZPGJN-UHFFFAOYSA-N 1 0 327.475 3.430 20 5 EGBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccsc2)c([N+](=O)[O-])c1 ZINC000619783628 460443706 /nfs/dbraw/zinc/44/37/06/460443706.db2.gz VUZBHCAUSLWWSI-MNOVXSKESA-N 1 0 349.412 3.343 20 5 EGBDRO O=[N+]([O-])c1ccc(C[N@H+](CCO)CCc2ccccc2)c(Cl)c1 ZINC000611784972 460463129 /nfs/dbraw/zinc/46/31/29/460463129.db2.gz AWIKXPLZHVASSV-UHFFFAOYSA-N 1 0 334.803 3.285 20 5 EGBDRO C[C@@H]1C[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)[C@H]2CCCC[C@H]12 ZINC000611983692 460500790 /nfs/dbraw/zinc/50/07/90/460500790.db2.gz AGWNVXIWHRTSRW-YUELXQCFSA-N 1 0 332.400 3.377 20 5 EGBDRO C[C@H]([NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)[C@H](O)C(F)(F)F ZINC000601301340 460781339 /nfs/dbraw/zinc/78/13/39/460781339.db2.gz YPMODCMGJQKTQV-CKLFPEKLSA-N 1 0 332.322 3.219 20 5 EGBDRO COc1cc(C[NH+](C)C)ccc1NC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000601620694 460849378 /nfs/dbraw/zinc/84/93/78/460849378.db2.gz JUGIKYZBQLPTOA-UHFFFAOYSA-N 1 0 343.383 3.226 20 5 EGBDRO C[NH+](C)CC1(CNc2ncnc3ccc([N+](=O)[O-])cc32)CCCC1 ZINC000612666834 469519676 /nfs/dbraw/zinc/51/96/76/469519676.db2.gz VRXPOVHKOBDIMY-UHFFFAOYSA-N 1 0 329.404 3.072 20 5 EGBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@@H]1c1ccccc1Cl ZINC000159764552 534319924 /nfs/dbraw/zinc/31/99/24/534319924.db2.gz KHLOHPVWWMZZBM-MRXNPFEDSA-N 1 0 347.802 3.247 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000184075659 534321548 /nfs/dbraw/zinc/32/15/48/534321548.db2.gz SSVQEJBVULUCRF-UHFFFAOYSA-N 1 0 348.447 3.455 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCO[C@@H]1C1CC1 ZINC000557274091 518203088 /nfs/dbraw/zinc/20/30/88/518203088.db2.gz SBXVPFRABHRKER-ITQYTPKQSA-N 1 0 330.428 3.463 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+][C@H](CO)Cc1ccccc1)C1CC1 ZINC000130385753 534887490 /nfs/dbraw/zinc/88/74/90/534887490.db2.gz FXJCBVHIMMNORG-RBUKOAKNSA-N 1 0 340.423 3.109 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@H](O)c1ccsc1)C1CC1 ZINC000154417132 534887737 /nfs/dbraw/zinc/88/77/37/534887737.db2.gz PZAPZUBOZYGVOA-WBVHZDCISA-N 1 0 332.425 3.301 20 5 EGBDRO CC(C)C[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000136920283 527961170 /nfs/dbraw/zinc/96/11/70/527961170.db2.gz LHYFWINMHOUQAI-UHFFFAOYSA-N 1 0 339.823 3.098 20 5 EGBDRO CCC[C@@H]([NH2+]CC1CCN(C(C)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000151064757 529006725 /nfs/dbraw/zinc/00/67/25/529006725.db2.gz PYSBHXXMQZCPDN-GOSISDBHSA-N 1 0 333.432 3.284 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000341179833 535021186 /nfs/dbraw/zinc/02/11/86/535021186.db2.gz ZOZWVESTKCZRMH-GOSISDBHSA-N 1 0 347.459 3.442 20 5 EGBDRO COc1cc(C[NH2+][C@H](CCO)C2CCCCC2)c([N+](=O)[O-])cc1F ZINC000184318063 536811983 /nfs/dbraw/zinc/81/19/83/536811983.db2.gz GTGRWPQUYWTNBC-OAHLLOKOSA-N 1 0 340.395 3.163 20 5 EGBDRO CCO[C@H]1C[C@H]([N@H+](C)Cn2ncc3ccc([N+](=O)[O-])cc32)C1(C)C ZINC000740862018 576630982 /nfs/dbraw/zinc/63/09/82/576630982.db2.gz UYMHOLXRGSFASM-HOTGVXAUSA-N 1 0 332.404 3.037 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@@H](O)c1c(F)cccc1F ZINC000740899404 576635077 /nfs/dbraw/zinc/63/50/77/576635077.db2.gz REEFDPZPLUWAJU-DQOPKJQZSA-N 1 0 334.322 3.209 20 5 EGBDRO CC(C)C[C@@H]1CCC[N@@H+]1Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000742147512 576751538 /nfs/dbraw/zinc/75/15/38/576751538.db2.gz INILINQJTVWKJK-HNNXBMFYSA-N 1 0 329.404 3.321 20 5 EGBDRO CC[NH+](CC)C[C@H]1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)C1 ZINC000742425603 576782990 /nfs/dbraw/zinc/78/29/90/576782990.db2.gz NAXNVLIKDUHFOJ-GFCCVEGCSA-N 1 0 334.445 3.373 20 5 EGBDRO Cc1c(C[NH2+]CCc2nc3c(cccc3F)n2C)cccc1[N+](=O)[O-] ZINC000873050411 1297246954 /nfs/dbraw/zinc/24/69/54/1297246954.db2.gz VXNSUXRWVDAHPK-UHFFFAOYSA-N 1 0 342.374 3.261 20 5 EGBDRO C[NH+]1CCC2(CCCN(c3nccc4cc([N+](=O)[O-])ccc43)C2)CC1 ZINC000828077240 1292427529 /nfs/dbraw/zinc/42/75/29/1292427529.db2.gz JYGCFNLWJFIQLQ-UHFFFAOYSA-N 1 0 340.427 3.455 20 5 EGBDRO CC1CCC([NH+]2CCN(C(=O)c3cc(F)ccc3[N+](=O)[O-])CC2)CC1 ZINC000115254262 1293186442 /nfs/dbraw/zinc/18/64/42/1293186442.db2.gz QQDXYMGVOHZJGO-UHFFFAOYSA-N 1 0 349.406 3.070 20 5 EGBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH+]1CCCCCCC1 ZINC000117333579 1293219343 /nfs/dbraw/zinc/21/93/43/1293219343.db2.gz QBDVSUXXKMPIRM-UHFFFAOYSA-N 1 0 333.388 3.159 20 5 EGBDRO C[C@H]1SCCN(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)[C@@H]1C ZINC000118381600 1293234614 /nfs/dbraw/zinc/23/46/14/1293234614.db2.gz KNAKORKBMLTCQN-CHWSQXEVSA-N 1 0 332.429 3.242 20 5 EGBDRO C[C@H](O)C[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Br ZINC000124067641 1293466070 /nfs/dbraw/zinc/46/60/70/1293466070.db2.gz BHOGJBLQZMQKDK-JQWIXIFHSA-N 1 0 343.221 3.093 20 5 EGBDRO CCOC(=O)N[C@@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)CC(C)C ZINC000125527841 1293510298 /nfs/dbraw/zinc/51/02/98/1293510298.db2.gz VHHUKLURHWQYFE-DZGCQCFKSA-N 1 0 337.420 3.406 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2cccnc2-n2cccn2)cc1Cl ZINC000131051429 1293677049 /nfs/dbraw/zinc/67/70/49/1293677049.db2.gz YHIOOOANGYAZMH-UHFFFAOYSA-N 1 0 343.774 3.119 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]Cc3ccc(F)cc3)CC2)cc1 ZINC000131826831 1293701935 /nfs/dbraw/zinc/70/19/35/1293701935.db2.gz ICOXMADULPPLJU-UHFFFAOYSA-N 1 0 329.375 3.493 20 5 EGBDRO COc1cccc([C@H](O)C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000178084257 1294714700 /nfs/dbraw/zinc/71/47/00/1294714700.db2.gz PYRVPUPFZYRENM-FZKQIMNGSA-N 1 0 330.384 3.296 20 5 EGBDRO C[N@H+](CCc1ccc(Cl)cc1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000178862347 1294758898 /nfs/dbraw/zinc/75/88/98/1294758898.db2.gz GLCPRQCIKUNXHI-KRWDZBQOSA-N 1 0 334.803 3.456 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)cc(-c2nc(C3C[C@H]4CC[C@@H](C3)[NH2+]4)no2)c1 ZINC000871795960 1296538517 /nfs/dbraw/zinc/53/85/17/1296538517.db2.gz CEOBWPPALJXYGN-FOGGPMGISA-N 1 0 334.763 3.296 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCNc1ccccn1 ZINC000872039017 1296688966 /nfs/dbraw/zinc/68/89/66/1296688966.db2.gz QUSIDHGNVMIRDF-GFCCVEGCSA-N 1 0 332.429 3.474 20 5 EGBDRO COCCOC[C@@H](C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872049848 1296701198 /nfs/dbraw/zinc/70/11/98/1296701198.db2.gz VFPSKFBBGVRJGE-VXGBXAGGSA-N 1 0 328.434 3.019 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCc1nnc(C)s1 ZINC000872073872 1296719997 /nfs/dbraw/zinc/71/99/97/1296719997.db2.gz WGOXEXLJWCFXQW-VIFPVBQESA-N 1 0 338.458 3.370 20 5 EGBDRO C[C@@]1(CNc2ncccc2[N+](=O)[O-])CC[N@H+](Cc2ccccc2)C1 ZINC000310098226 1297090022 /nfs/dbraw/zinc/09/00/22/1297090022.db2.gz WGVPTDLNQOVCJQ-SFHVURJKSA-N 1 0 326.400 3.314 20 5 EGBDRO CCNC(=O)c1cccc(C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)c1 ZINC000873018448 1297227134 /nfs/dbraw/zinc/22/71/34/1297227134.db2.gz ASZOBMMQNIEWQZ-UHFFFAOYSA-N 1 0 341.411 3.251 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H]1CCOC2(CCOCC2)C1 ZINC000873080271 1297264108 /nfs/dbraw/zinc/26/41/08/1297264108.db2.gz NDOXQKXKNXQVNT-HNNXBMFYSA-N 1 0 334.416 3.029 20 5 EGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CCn1ccc(C(F)(F)F)n1 ZINC000873157897 1297309864 /nfs/dbraw/zinc/30/98/64/1297309864.db2.gz MGRAIOHUUIPOIZ-UHFFFAOYSA-N 1 0 348.712 3.253 20 5 EGBDRO Nc1cc(F)cc(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000873289819 1297410780 /nfs/dbraw/zinc/41/07/80/1297410780.db2.gz ZLXSZLYWGCPQNH-KRWDZBQOSA-N 1 0 329.375 3.427 20 5 EGBDRO C[NH+](C)CCN(C(=O)/C=C\c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000746278669 1298562887 /nfs/dbraw/zinc/56/28/87/1298562887.db2.gz QMRWDGQFYLQCFV-RAXLEYEMSA-N 1 0 339.395 3.203 20 5 EGBDRO Cc1noc(C2CC[NH+](Cc3c(C)ccc([N+](=O)[O-])c3C)CC2)n1 ZINC000876612353 1298867256 /nfs/dbraw/zinc/86/72/56/1298867256.db2.gz JVNWKPIVBASFQT-UHFFFAOYSA-N 1 0 330.388 3.283 20 5 EGBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC(c3cc4ccccc4[nH]3)CC2)n1 ZINC000747960281 1298899058 /nfs/dbraw/zinc/89/90/58/1298899058.db2.gz YQEMSCSBPKQGNU-UHFFFAOYSA-N 1 0 339.399 3.152 20 5 EGBDRO Cc1c(C(=O)NC2CCC([NH+]3CCCCC3)CC2)cccc1[N+](=O)[O-] ZINC000750859151 1299465240 /nfs/dbraw/zinc/46/52/40/1299465240.db2.gz KYPSKIIKBCGOIX-UHFFFAOYSA-N 1 0 345.443 3.430 20 5 EGBDRO CO[C@]1(C)C[C@H]([N@H+](C)Cn2ncc3cc([N+](=O)[O-])ccc32)C1(C)C ZINC000751934222 1299656331 /nfs/dbraw/zinc/65/63/31/1299656331.db2.gz OZVFIXHOISAXSA-DOTOQJQBSA-N 1 0 332.404 3.037 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1nnc(C[NH+]2CCC3(CCC3)CC2)o1 ZINC000878610559 1300107403 /nfs/dbraw/zinc/10/74/03/1300107403.db2.gz ZBFSFDRNQKZFQE-UHFFFAOYSA-N 1 0 328.372 3.411 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)s1 ZINC000754666085 1300187364 /nfs/dbraw/zinc/18/73/64/1300187364.db2.gz ZKUNRYSWKHARFN-GFCCVEGCSA-N 1 0 345.424 3.205 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@]2(CO)CCc3ccccc32)cc1Cl ZINC000761528615 1301491365 /nfs/dbraw/zinc/49/13/65/1301491365.db2.gz YMHQYCKKFFBOAW-KRWDZBQOSA-N 1 0 332.787 3.172 20 5 EGBDRO CCO[C@H]1C[C@H]([N@H+](C)Cn2ncc3cc([N+](=O)[O-])ccc32)C12CCC2 ZINC000763232906 1301853844 /nfs/dbraw/zinc/85/38/44/1301853844.db2.gz WJVAFIFYAFWLNN-IRXDYDNUSA-N 1 0 344.415 3.182 20 5 EGBDRO C[C@@H](CC(F)(F)F)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000768273492 1302870847 /nfs/dbraw/zinc/87/08/47/1302870847.db2.gz ZWRZSIVWQRYXTN-NSHDSACASA-N 1 0 331.338 3.494 20 5 EGBDRO CC1(C)CCC[N@H+](CCNC(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000769707456 1303163021 /nfs/dbraw/zinc/16/30/21/1303163021.db2.gz JASFRTMWYHNSEG-UHFFFAOYSA-N 1 0 339.823 3.100 20 5 EGBDRO COc1ccccc1C[C@@H]([NH2+]Cc1cccnc1[N+](=O)[O-])C(C)C ZINC000886127039 1303365353 /nfs/dbraw/zinc/36/53/53/1303365353.db2.gz AAZQTLRXQMSCHE-MRXNPFEDSA-N 1 0 329.400 3.355 20 5 EGBDRO COc1cccc([C@H]2C[C@H]([N@H+](C)Cc3cccnc3[N+](=O)[O-])C2)c1 ZINC000886238641 1303409025 /nfs/dbraw/zinc/40/90/25/1303409025.db2.gz FENQHSIFCCXMKR-WKILWMFISA-N 1 0 327.384 3.376 20 5 EGBDRO CC(C)[C@@H]1C[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCO1 ZINC000772472752 1303537499 /nfs/dbraw/zinc/53/74/99/1303537499.db2.gz LZFLIIKIQOIMQG-APWZRJJASA-N 1 0 347.459 3.357 20 5 EGBDRO CCCC[N@H+](CCOC)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000774628891 1303836057 /nfs/dbraw/zinc/83/60/57/1303836057.db2.gz ZQTAGHUYCYJYDE-UHFFFAOYSA-N 1 0 340.811 3.304 20 5 EGBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N(CC[NH+](C)C)C(C)C ZINC000888284933 1304101038 /nfs/dbraw/zinc/10/10/38/1304101038.db2.gz OUPGMSVGRXWZGH-UHFFFAOYSA-N 1 0 342.827 3.361 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+](CCc2ccccc2)C2CC2)cc1 ZINC000776580620 1304173767 /nfs/dbraw/zinc/17/37/67/1304173767.db2.gz XMSYKPOKSJRCMN-IBGZPJMESA-N 1 0 326.396 3.335 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+](Cc2cccc(O)c2)CC2CC2)cc1 ZINC000776581662 1304175424 /nfs/dbraw/zinc/17/54/24/1304175424.db2.gz GOXVKJNASUOIIN-LJQANCHMSA-N 1 0 342.395 3.246 20 5 EGBDRO CC[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H](C)c1cccc(O)c1 ZINC000776588617 1304176310 /nfs/dbraw/zinc/17/63/10/1304176310.db2.gz ACNRNGKCEYTHGC-UGSOOPFHSA-N 1 0 330.384 3.417 20 5 EGBDRO CC[C@@](C)([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1nc(C)cs1 ZINC000776591920 1304178304 /nfs/dbraw/zinc/17/83/04/1304178304.db2.gz RXXZSFUICNUKDO-GOEBONIOSA-N 1 0 335.429 3.308 20 5 EGBDRO CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000776809269 1304202912 /nfs/dbraw/zinc/20/29/12/1304202912.db2.gz QVGPUAQDJXOYOC-ZBFHGGJFSA-N 1 0 349.431 3.250 20 5 EGBDRO CCOC[C@H]1CCC[N@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000777955006 1304372683 /nfs/dbraw/zinc/37/26/83/1304372683.db2.gz HVMWEDMKXGPBOB-HNNXBMFYSA-N 1 0 344.415 3.164 20 5 EGBDRO CC(C)(C)[NH+]1CCC(Nc2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000782143971 1304921004 /nfs/dbraw/zinc/92/10/04/1304921004.db2.gz WTXMOBAVGBRETG-UHFFFAOYSA-N 1 0 329.404 3.213 20 5 EGBDRO CCOCOc1ccc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000782965680 1305031255 /nfs/dbraw/zinc/03/12/55/1305031255.db2.gz XYDPDQQLNWBTFN-UHFFFAOYSA-N 1 0 330.384 3.300 20 5 EGBDRO CC(C)(C)OC(=O)CCC[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783638872 1305120979 /nfs/dbraw/zinc/12/09/79/1305120979.db2.gz KPPUASNUPWJOMP-UHFFFAOYSA-N 1 0 328.796 3.460 20 5 EGBDRO COc1c(O)ccc(C[N@@H+]2CC[C@@H](c3ccccc3F)C2)c1[N+](=O)[O-] ZINC000891994555 1305225377 /nfs/dbraw/zinc/22/53/77/1305225377.db2.gz CVFCTHIXLKFBMQ-GFCCVEGCSA-N 1 0 346.358 3.438 20 5 EGBDRO CC(C)(C)Oc1cc(NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)ccc1[N+](=O)[O-] ZINC000785797032 1305436588 /nfs/dbraw/zinc/43/65/88/1305436588.db2.gz TZMWJQBCNXJCNM-GJZGRUSLSA-N 1 0 349.431 3.047 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCN(C)C(=O)OC(C)(C)C ZINC000786814293 1305635434 /nfs/dbraw/zinc/63/54/34/1305635434.db2.gz UJXBEIFZGKICPG-KAMYIIQDSA-N 1 0 349.431 3.455 20 5 EGBDRO COC(=O)N1CCC[C@H]([NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000788579199 1305973107 /nfs/dbraw/zinc/97/31/07/1305973107.db2.gz ZIHLTVZYWPLUDM-LRDDRELGSA-N 1 0 347.415 3.138 20 5 EGBDRO COc1c(O)ccc(CN2C[C@@H](C)C[C@@H]2c2cccnc2)c1[N+](=O)[O-] ZINC000893573070 1305973848 /nfs/dbraw/zinc/97/38/48/1305973848.db2.gz WAOUJNSRBKJCBJ-SWLSCSKDSA-N 1 0 343.383 3.287 20 5 EGBDRO C[C@@H](Cc1cnccn1)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000788575579 1305974131 /nfs/dbraw/zinc/97/41/31/1305974131.db2.gz BHZNBJMVYHKHSY-SJCJKPOMSA-N 1 0 326.400 3.328 20 5 EGBDRO C[C@H]([NH2+]C[C@@](C)(O)c1ccccc1Cl)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788750108 1306008667 /nfs/dbraw/zinc/00/86/67/1306008667.db2.gz LXJOPVOMSKMLII-APPDUMDISA-N 1 0 349.818 3.389 20 5 EGBDRO COc1c(O)ccc(C[NH2+][C@@H]2Cc3ccc(Cl)cc3C2)c1[N+](=O)[O-] ZINC000894258196 1306306164 /nfs/dbraw/zinc/30/61/64/1306306164.db2.gz LJWUWAAKLFDJES-CQSZACIVSA-N 1 0 348.786 3.219 20 5 EGBDRO Cc1cc([N+](=O)[O-])cc(C(=O)Nc2ccc(CC[NH+](C)C)cc2)c1F ZINC000790437087 1306327732 /nfs/dbraw/zinc/32/77/32/1306327732.db2.gz FOBUXKOJIDBQCD-UHFFFAOYSA-N 1 0 345.374 3.399 20 5 EGBDRO CN1CCCC(C)(C)[C@@H]1C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000790928946 1308888876 /nfs/dbraw/zinc/88/88/76/1308888876.db2.gz ZKLZUFXZFUDSAI-HNNXBMFYSA-N 1 0 325.840 3.458 20 5 EGBDRO CCOC(=O)C1(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCCC1 ZINC000792194822 1309141433 /nfs/dbraw/zinc/14/14/33/1309141433.db2.gz HSHDMWRDXQBOKE-VQHVLOKHSA-N 1 0 332.400 3.321 20 5 EGBDRO COc1c(O)ccc(C[NH2+]CCC[C@@H]2CC2(Cl)Cl)c1[N+](=O)[O-] ZINC000895181475 1309226631 /nfs/dbraw/zinc/22/66/31/1309226631.db2.gz WZRAIGIVMQJPFB-SNVBAGLBSA-N 1 0 349.214 3.373 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2ncn(C[NH+]3CCC4(CCC4)CC3)n2)c1 ZINC000795717530 1309817035 /nfs/dbraw/zinc/81/70/35/1309817035.db2.gz IHLWLHGKTFDWGN-UHFFFAOYSA-N 1 0 327.388 3.077 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000796115567 1309911166 /nfs/dbraw/zinc/91/11/66/1309911166.db2.gz JPKXKSAHKOOIKG-UHFFFAOYSA-N 1 0 345.355 3.186 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)c1C ZINC000897100384 1310178785 /nfs/dbraw/zinc/17/87/85/1310178785.db2.gz DPCWQCICEQEMLQ-INIZCTEOSA-N 1 0 347.459 3.309 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCC2(CC1)C[C@H](O)CCO2 ZINC000897260088 1310250727 /nfs/dbraw/zinc/25/07/27/1310250727.db2.gz XVXMHUUTVGBHSA-VHUCWBOISA-N 1 0 346.427 3.004 20 5 EGBDRO CCOc1cc(C[N@@H+]2CC[C@@H](c3ccccn3)C2)ccc1[N+](=O)[O-] ZINC000799190315 1310502139 /nfs/dbraw/zinc/50/21/39/1310502139.db2.gz OPKYSAHYRURGTE-OAHLLOKOSA-N 1 0 327.384 3.378 20 5 EGBDRO O=C(OCCC[NH+]1CCCCC1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000800179094 1310693021 /nfs/dbraw/zinc/69/30/21/1310693021.db2.gz ILLAYIYVPHLUIJ-UHFFFAOYSA-N 1 0 326.780 3.281 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000820158164 1319843142 /nfs/dbraw/zinc/84/31/42/1319843142.db2.gz HKGJQBJSGSKENH-INIZCTEOSA-N 1 0 345.443 3.302 20 5 EGBDRO Cc1cc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)ccn1 ZINC000824597356 1320268622 /nfs/dbraw/zinc/26/86/22/1320268622.db2.gz RNKMLSUKUJGCOY-UHFFFAOYSA-N 1 0 326.400 3.057 20 5 EGBDRO CO[C@@H]1C[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C12CCC2 ZINC000839183817 1320888832 /nfs/dbraw/zinc/88/88/32/1320888832.db2.gz ZQBZJUSPJHPDAR-ZWKOTPCHSA-N 1 0 345.443 3.111 20 5 EGBDRO COC[C@@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000929638662 1328653941 /nfs/dbraw/zinc/65/39/41/1328653941.db2.gz LALHCGLSFAVVTR-LLVKDONJSA-N 1 0 343.221 3.216 20 5 EGBDRO C[NH+](C)[C@@H](CNc1c([N+](=O)[O-])cccc1[N+](=O)[O-])c1ccsc1 ZINC000804345917 1317221145 /nfs/dbraw/zinc/22/11/45/1317221145.db2.gz UEJXHNJSAJGRDQ-ZDUSSCGKSA-N 1 0 336.373 3.279 20 5 EGBDRO CC(=O)c1ccc([N+](=O)[O-])cc1NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000807916721 1317601233 /nfs/dbraw/zinc/60/12/33/1317601233.db2.gz BAYMBRMTUWQEHF-KRWDZBQOSA-N 1 0 341.411 3.382 20 5 EGBDRO CCC[NH+]1CCN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000809935757 1317920348 /nfs/dbraw/zinc/92/03/48/1317920348.db2.gz QRYOMKIEGNNKSY-UHFFFAOYSA-N 1 0 332.231 3.429 20 5 EGBDRO CC[N@@H+]1CCN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])[C@H](C)C1 ZINC000810016811 1317936279 /nfs/dbraw/zinc/93/62/79/1317936279.db2.gz AWRHHEKJOCPWKK-SNVBAGLBSA-N 1 0 332.231 3.428 20 5 EGBDRO CSc1ccc([N+](=O)[O-])c(C(=O)O[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000810837086 1318062256 /nfs/dbraw/zinc/06/22/56/1318062256.db2.gz FJXJQGHHTBHPKK-NWDGAFQWSA-N 1 0 336.413 3.100 20 5 EGBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]CCOC[C@@H]1CCOC1 ZINC000811477650 1318182046 /nfs/dbraw/zinc/18/20/46/1318182046.db2.gz BIFGSCBBXBXHIQ-SNVBAGLBSA-N 1 0 349.214 3.044 20 5 EGBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+][C@H]1CCc2c[nH]nc2C1 ZINC000811483986 1318183457 /nfs/dbraw/zinc/18/34/57/1318183457.db2.gz SYCCHPLHAKSUSE-NSHDSACASA-N 1 0 341.198 3.272 20 5 EGBDRO CCC[N@H+](CC)C[C@@H](C)Nc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000811866988 1318282714 /nfs/dbraw/zinc/28/27/14/1318282714.db2.gz KAORECMLPYYKDZ-GFCCVEGCSA-N 1 0 325.409 3.144 20 5 EGBDRO CCC[N@@H+]1CCC[C@@H](C(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000908361128 1318331779 /nfs/dbraw/zinc/33/17/79/1318331779.db2.gz ZQRUWMYVPDYOPU-CQSZACIVSA-N 1 0 333.432 3.068 20 5 EGBDRO O=C(OCc1cccc([N+](=O)[O-])c1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000815446423 1318985965 /nfs/dbraw/zinc/98/59/65/1318985965.db2.gz VWBYDZAVZIJYPB-QGZVFWFLSA-N 1 0 332.400 3.435 20 5 EGBDRO C[C@H]([NH2+]Cc1ccc(-n2cccn2)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815559324 1319014015 /nfs/dbraw/zinc/01/40/15/1319014015.db2.gz DOEHGVKJGOCXSP-ZDUSSCGKSA-N 1 0 337.383 3.214 20 5 EGBDRO COc1ccc2c(c1)OCC[C@@H]2[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815583724 1319020799 /nfs/dbraw/zinc/02/07/99/1319020799.db2.gz MSKKQPJUQSGPHT-ZBEGNZNMSA-N 1 0 343.383 3.360 20 5 EGBDRO C[C@@H]([NH2+][C@@H]1CCOc2c(F)cccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815619668 1319030125 /nfs/dbraw/zinc/03/01/25/1319030125.db2.gz USZLEUSMVBXQMX-MEBBXXQBSA-N 1 0 331.347 3.491 20 5 EGBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000816898820 1319241574 /nfs/dbraw/zinc/24/15/74/1319241574.db2.gz HXZNEBLKAHKEJC-RYUDHWBXSA-N 1 0 339.823 3.098 20 5 EGBDRO CC(C)Oc1ccc(CC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000818955500 1319588947 /nfs/dbraw/zinc/58/89/47/1319588947.db2.gz YBLITXFNKWHIJG-LJQANCHMSA-N 1 0 344.411 3.248 20 5 EGBDRO CC(C)Oc1cccc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000818964900 1319595768 /nfs/dbraw/zinc/59/57/68/1319595768.db2.gz KSBYWFFHVDXAKW-SFHVURJKSA-N 1 0 330.384 3.205 20 5 EGBDRO COc1ccc([C@H](C)CC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000819102234 1319635377 /nfs/dbraw/zinc/63/53/77/1319635377.db2.gz HWMFFDBIQAJMNZ-AUUYWEPGSA-N 1 0 344.411 3.420 20 5 EGBDRO O=[N+]([O-])c1ccccc1CC[NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000819111371 1319638540 /nfs/dbraw/zinc/63/85/40/1319638540.db2.gz ONAYBTSPNMVXOX-MRXNPFEDSA-N 1 0 338.766 3.253 20 5 EGBDRO CCCCCn1cc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c(C)n1 ZINC000819201324 1319666456 /nfs/dbraw/zinc/66/64/56/1319666456.db2.gz NBRRXSREFYEGKY-GOSISDBHSA-N 1 0 346.431 3.113 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H]2CCCOc3c(F)cccc32)cc1 ZINC000819215298 1319671485 /nfs/dbraw/zinc/67/14/85/1319671485.db2.gz XNXXDQMEQPRGBN-DLBZAZTESA-N 1 0 346.358 3.271 20 5 EGBDRO Cc1cccc(OCCC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1C ZINC000819271282 1319685159 /nfs/dbraw/zinc/68/51/59/1319685159.db2.gz PTAPDIFXRABBJR-GOSISDBHSA-N 1 0 344.411 3.304 20 5 EGBDRO CC1CC[NH+](CCCCNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000917076990 1319750971 /nfs/dbraw/zinc/75/09/71/1319750971.db2.gz SGFDYEHLPKLZAH-UHFFFAOYSA-N 1 0 336.392 3.427 20 5 EGBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000820384829 1319880461 /nfs/dbraw/zinc/88/04/61/1319880461.db2.gz CJTGGAIJZYAQGI-HNNXBMFYSA-N 1 0 333.432 3.016 20 5 EGBDRO CC[NH+](CC)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000825568588 1320347720 /nfs/dbraw/zinc/34/77/20/1320347720.db2.gz SVTIQQBZGKSFDF-NSHDSACASA-N 1 0 327.812 3.017 20 5 EGBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2cc(Cl)c(C)cc2[N+](=O)[O-])C1 ZINC000836530511 1320500308 /nfs/dbraw/zinc/50/03/08/1320500308.db2.gz XDZBYMPUMOSEHW-LBPRGKRZSA-N 1 0 339.823 3.018 20 5 EGBDRO CC(C)(C)O[C@@H]1C[C@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1(C)C ZINC000839672138 1320956767 /nfs/dbraw/zinc/95/67/67/1320956767.db2.gz FIKADHXXFNCWFC-HRCADAONSA-N 1 0 336.432 3.200 20 5 EGBDRO CC(C)(C)O[C@@H]1C[C@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000839675840 1320958133 /nfs/dbraw/zinc/95/81/33/1320958133.db2.gz SLNORBWLMRRXSE-HRCADAONSA-N 1 0 336.432 3.200 20 5 EGBDRO CC(C)[C@H]([NH3+])c1noc([C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000843149167 1321478931 /nfs/dbraw/zinc/47/89/31/1321478931.db2.gz AXLSDSAXZHZLDC-UFBFGSQYSA-N 1 0 340.767 3.427 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1-c1noc(C[C@H](C)C2CC[NH2+]CC2)n1 ZINC000843187431 1321483946 /nfs/dbraw/zinc/48/39/46/1321483946.db2.gz PXKLLZVXTZSBFN-NSHDSACASA-N 1 0 330.388 3.131 20 5 EGBDRO C[N@@H+]1CCC[C@H]2CN(c3cc(Cl)c(F)cc3[N+](=O)[O-])CC[C@H]21 ZINC000845502067 1321714064 /nfs/dbraw/zinc/71/40/64/1321714064.db2.gz YNKAPAHZZLTUHQ-GXFFZTMASA-N 1 0 327.787 3.308 20 5 EGBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)O[C@@H](C)C[NH+]1CCCC1 ZINC000845672078 1321731986 /nfs/dbraw/zinc/73/19/86/1321731986.db2.gz MOPNKYSHOWUORS-QWHCGFSZSA-N 1 0 338.429 3.103 20 5 EGBDRO C[C@@H](COC(=O)CSc1ccc([N+](=O)[O-])cc1)[NH+]1CCCCC1 ZINC000847958297 1321915961 /nfs/dbraw/zinc/91/59/61/1321915961.db2.gz GZWAXQJFYLPSQL-ZDUSSCGKSA-N 1 0 338.429 3.105 20 5 EGBDRO CCC(C)(C)[NH+]1CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000848303271 1321950157 /nfs/dbraw/zinc/95/01/57/1321950157.db2.gz SYXQXQZQYHLJPN-UHFFFAOYSA-N 1 0 339.823 3.195 20 5 EGBDRO CCc1ccc([C@@H](O)C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000848548512 1321974729 /nfs/dbraw/zinc/97/47/29/1321974729.db2.gz HJMGVSHGUOHBOY-HKUYNNGSSA-N 1 0 326.396 3.468 20 5 EGBDRO CCCCCCNC(=[NH2+])NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000849077138 1322068254 /nfs/dbraw/zinc/06/82/54/1322068254.db2.gz QHDGRJSMJIESAT-UHFFFAOYSA-N 1 0 326.828 3.485 20 5 EGBDRO C[C@H]([NH2+]C[C@H]1CCN1Cc1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850578911 1322271837 /nfs/dbraw/zinc/27/18/37/1322271837.db2.gz QZTSKNOGVWRJER-WMLDXEAASA-N 1 0 340.427 3.102 20 5 EGBDRO Cc1noc(CN2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)c1[N+](=O)[O-] ZINC000852135709 1323152835 /nfs/dbraw/zinc/15/28/35/1323152835.db2.gz RHBIXJLVKLXCIE-ZDUSSCGKSA-N 1 0 346.343 3.179 20 5 EGBDRO O=[N+]([O-])c1ccc(NC(=S)NCC2CC[NH+](CC3CC3)CC2)cc1 ZINC000853051070 1323269379 /nfs/dbraw/zinc/26/93/79/1323269379.db2.gz FSDZFMXRWUBWOD-UHFFFAOYSA-N 1 0 348.472 3.003 20 5 EGBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)NCC[N@H+]1CCC[C@@H]1C ZINC000931625428 1329156069 /nfs/dbraw/zinc/15/60/69/1329156069.db2.gz BGODYGOTKOATTR-NSHDSACASA-N 1 0 340.811 3.162 20 5 EGBDRO COCC[N@H+]1[C@H](C)CN(c2ccc(C(F)F)cc2[N+](=O)[O-])C[C@@H]1C ZINC000853708203 1325151337 /nfs/dbraw/zinc/15/13/37/1325151337.db2.gz IMQFDDJBMULPCF-TXEJJXNPSA-N 1 0 343.374 3.078 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@H]([N@H+](C)CCc3ccccc3)C2)n1 ZINC000853837404 1325170481 /nfs/dbraw/zinc/17/04/81/1325170481.db2.gz JIVMZYUGGSMZIL-KRWDZBQOSA-N 1 0 340.427 3.051 20 5 EGBDRO O=[N+]([O-])c1ccc(NCC2CC[NH+](CC3CC3)CC2)c([N+](=O)[O-])c1 ZINC000853983861 1325197319 /nfs/dbraw/zinc/19/73/19/1325197319.db2.gz BWMSLWYULGZPQL-UHFFFAOYSA-N 1 0 334.376 3.037 20 5 EGBDRO CC(C)n1cc([C@H](C)[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])nn1 ZINC000926112839 1325434109 /nfs/dbraw/zinc/43/41/09/1325434109.db2.gz HAVFMBHLGNRCLV-NSHDSACASA-N 1 0 337.811 3.314 20 5 EGBDRO C[C@@H](NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000928246732 1328254340 /nfs/dbraw/zinc/25/43/40/1328254340.db2.gz CQTKHZQKSQQAGJ-ZBFHGGJFSA-N 1 0 345.443 3.427 20 5 EGBDRO O=C(NCCCCC[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1Cl ZINC000861835835 1329444376 /nfs/dbraw/zinc/44/43/76/1329444376.db2.gz PAKSUZDBXMUOAL-UHFFFAOYSA-N 1 0 339.823 3.244 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccc4cc[nH]c4c3)CC2)cc1 ZINC000862211838 1329465989 /nfs/dbraw/zinc/46/59/89/1329465989.db2.gz MBAIRDKXTWRDLD-UHFFFAOYSA-N 1 0 336.395 3.398 20 5 EGBDRO CN(CC[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])CC(F)F ZINC000862551733 1329495860 /nfs/dbraw/zinc/49/58/60/1329495860.db2.gz YLEHXMJHXXFDAV-UHFFFAOYSA-N 1 0 342.173 3.188 20 5 EGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCc1cn2c(n1)CCCC2 ZINC000866229769 1330081074 /nfs/dbraw/zinc/08/10/74/1330081074.db2.gz TZUALJOXWKQHBZ-CYBMUJFWSA-N 1 0 346.406 3.030 20 5 EGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCCNc1ccccn1 ZINC000866282330 1330090420 /nfs/dbraw/zinc/09/04/20/1330090420.db2.gz NCYDEMAUJLLONA-CYBMUJFWSA-N 1 0 332.379 3.152 20 5 EGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000866313021 1330095006 /nfs/dbraw/zinc/09/50/06/1330095006.db2.gz UPUCGVBCTKDMHM-LBPRGKRZSA-N 1 0 347.346 3.405 20 5 EGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H](O)CCc1ccccc1 ZINC000866338525 1330098246 /nfs/dbraw/zinc/09/82/46/1330098246.db2.gz SRSZECGTMWMHNS-RDTXWAMCSA-N 1 0 346.402 3.248 20 5 EGBDRO CC(C)[C@@H](C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-])c1ccnn1C ZINC000866345694 1330099520 /nfs/dbraw/zinc/09/95/20/1330099520.db2.gz BLZAZEPFWDUDGN-XJKSGUPXSA-N 1 0 348.422 3.428 20 5 EGBDRO CC(C)(C)CC(=O)N1CC2(C1)CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C2 ZINC001072460701 1355297175 /nfs/dbraw/zinc/29/71/75/1355297175.db2.gz WNHGGHCSFXKVDF-UHFFFAOYSA-N 1 0 345.443 3.065 20 5 EGBDRO C[C@H](Nc1ccc([N+](=O)[O-])c2nonc21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001323620920 1387409328 /nfs/dbraw/zinc/40/93/28/1387409328.db2.gz IODBLJRTQKRNQC-NWDGAFQWSA-N 1 0 345.403 3.196 20 5 EGBDRO CC[C@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC001325226958 1387917843 /nfs/dbraw/zinc/91/78/43/1387917843.db2.gz AYHSJXMASDJGPO-KRWDZBQOSA-N 1 0 345.374 3.438 20 5 EGBDRO CC(C)NC(=O)c1ccc(N[C@H]2CCCC[C@@H]2[NH+](C)C)c([N+](=O)[O-])c1 ZINC001116028834 1370822574 /nfs/dbraw/zinc/82/25/74/1370822574.db2.gz VMPRELFPHFKHMF-HOCLYGCPSA-N 1 0 348.447 3.018 20 5 EGBDRO CC(C)c1ccc(C(=O)N[C@@H]2CCCC[C@@H]2[NH+](C)C)cc1[N+](=O)[O-] ZINC001116708574 1370960428 /nfs/dbraw/zinc/96/04/28/1370960428.db2.gz CRRYCPCJIUISNJ-CVEARBPZSA-N 1 0 333.432 3.321 20 5 EGBDRO C[C@H](CNC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)[N@@H+]1CCCC[C@H]1C ZINC001119778297 1371403792 /nfs/dbraw/zinc/40/37/92/1371403792.db2.gz XZWGZTRKAVDGLM-DTDBQYNISA-N 1 0 345.443 3.077 20 5 EGBDRO COc1c(O)ccc(C[NH2+]CCOC2CCCCCC2)c1[N+](=O)[O-] ZINC001119948326 1371430019 /nfs/dbraw/zinc/43/00/19/1371430019.db2.gz LUEROBFFBAETLL-UHFFFAOYSA-N 1 0 338.404 3.138 20 5 EGBDRO C[NH+]1CCN(c2cccc(Nc3ccc(F)cc3[N+](=O)[O-])c2)CC1 ZINC001210955807 1372460769 /nfs/dbraw/zinc/46/07/69/1372460769.db2.gz MEXDOEAYGOYDQD-UHFFFAOYSA-N 1 0 330.363 3.229 20 5 EGBDRO Cc1c(Nc2ccnn2-c2cc[nH+]cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001211291340 1372522693 /nfs/dbraw/zinc/52/26/93/1372522693.db2.gz CINFZPDEAYIOHY-UHFFFAOYSA-N 1 0 340.299 3.136 20 5 EGBDRO CCOC(=O)c1cc(Nc2ccc3[nH+]ccn3c2)cc([N+](=O)[O-])c1 ZINC001211367859 1372541409 /nfs/dbraw/zinc/54/14/09/1372541409.db2.gz YJJCTAGJNPFPEZ-UHFFFAOYSA-N 1 0 326.312 3.163 20 5 EGBDRO C[C@H](Oc1ccc(OC(F)(F)F)cc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC001218002359 1373531858 /nfs/dbraw/zinc/53/18/58/1373531858.db2.gz FRZLQNNEAPIYDX-VIFPVBQESA-N 1 0 334.294 3.260 20 5 EGBDRO C[C@@H](Oc1cc(Br)cc([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC001218005250 1373533857 /nfs/dbraw/zinc/53/38/57/1373533857.db2.gz IXKSKQSZKUWHTH-SECBINFHSA-N 1 0 329.194 3.124 20 5 EGBDRO C[C@H](Oc1c(F)cc([N+](=O)[O-])cc1Br)C1CC[NH2+]CC1 ZINC001218007774 1373535039 /nfs/dbraw/zinc/53/50/39/1373535039.db2.gz ZJTILSQNGHCAKN-QMMMGPOBSA-N 1 0 347.184 3.263 20 5 EGBDRO C[C@H](Oc1c(Br)c(F)ccc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC001218011206 1373536473 /nfs/dbraw/zinc/53/64/73/1373536473.db2.gz YFOZBAFZYVGDJK-QMMMGPOBSA-N 1 0 347.184 3.263 20 5 EGBDRO O=[N+]([O-])c1cccc(Br)c1O[C@@H]1CCC[C@]12CC[NH2+]C2 ZINC001218092612 1373558633 /nfs/dbraw/zinc/55/86/33/1373558633.db2.gz ILSBAYYAWOSZAT-TZMCWYRMSA-N 1 0 341.205 3.268 20 5 EGBDRO CCc1c(Cl)cc([N+](=O)[O-])c(O[C@H]2[C@@H]3C[C@H]2C[NH2+]C3)c1Cl ZINC001218147702 1373569895 /nfs/dbraw/zinc/56/98/95/1373569895.db2.gz PQUJIGIUUKLHPH-BWPRHRIFSA-N 1 0 331.199 3.451 20 5 EGBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Oc1ccc(N)c([N+](=O)[O-])c1 ZINC001218334420 1373598970 /nfs/dbraw/zinc/59/89/70/1373598970.db2.gz ABZAFEZYILAXLF-IFXJQAMLSA-N 1 0 341.411 3.466 20 5 EGBDRO C[C@@H]1CC[C@H](Oc2ccc(C(=O)OC(C)(C)C)cc2[N+](=O)[O-])C[NH2+]1 ZINC001218401238 1373607996 /nfs/dbraw/zinc/60/79/96/1373607996.db2.gz CEQOKZNIMDXEOS-YPMHNXCESA-N 1 0 336.388 3.069 20 5 EGBDRO CCCc1ccccc1C(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001131118779 1373645801 /nfs/dbraw/zinc/64/58/01/1373645801.db2.gz MRFURIVWZOABTG-UHFFFAOYSA-N 1 0 347.440 3.128 20 5 EGBDRO O=[N+]([O-])c1ccc(F)cc1O[C@H]1CCN2Cc3ccccc3N=C12 ZINC001225576629 1375126541 /nfs/dbraw/zinc/12/65/41/1375126541.db2.gz BECFTMNVZXKQON-HNNXBMFYSA-N 1 0 327.315 3.431 20 5 EGBDRO O=[N+]([O-])c1cc(C(F)(F)F)cnc1OC1CC[NH+](C2CC2)CC1 ZINC001225845707 1375163369 /nfs/dbraw/zinc/16/33/69/1375163369.db2.gz GUWWDHDHFRZZAF-UHFFFAOYSA-N 1 0 331.294 3.014 20 5 EGBDRO CC/C=C(\C)C(=O)NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001226361118 1375246030 /nfs/dbraw/zinc/24/60/30/1375246030.db2.gz KZHXTTNMSOOGOP-LNKIKWGQSA-N 1 0 331.416 3.032 20 5 EGBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Oc1ccc([N+](=O)[O-])nc1 ZINC001226712536 1375315065 /nfs/dbraw/zinc/31/50/65/1375315065.db2.gz OMROIDDQUIELBY-WMLDXEAASA-N 1 0 327.384 3.279 20 5 EGBDRO C[C@@H](Oc1cccc([N+](=O)[O-])c1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001226763307 1375327878 /nfs/dbraw/zinc/32/78/78/1375327878.db2.gz PPVWRZVOVHZZMC-BEFAXECRSA-N 1 0 342.395 3.263 20 5 EGBDRO O=C(CCC1CCC1)NC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001226786478 1375335126 /nfs/dbraw/zinc/33/51/26/1375335126.db2.gz MGDBECIYWHKEJK-UHFFFAOYSA-N 1 0 345.443 3.256 20 5 EGBDRO O=[N+]([O-])c1cccc(Cl)c1O[C@H]1CC[C@@H]([NH+]2CCOCC2)CC1 ZINC001228001009 1375501013 /nfs/dbraw/zinc/50/10/13/1375501013.db2.gz QBYCPWPGCQLNAS-BETUJISGSA-N 1 0 340.807 3.270 20 5 EGBDRO C[C@H](C[N+](C)(C)C)Oc1c2ccccc2c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001229425197 1375830981 /nfs/dbraw/zinc/83/09/81/1375830981.db2.gz VDZJLAPMMZGCFY-LLVKDONJSA-N 1 0 334.352 3.130 20 5 EGBDRO O=[N+]([O-])c1cc([N+](=O)[O-])c(O[C@@H]2C[NH+]3CCC2CC3)c2ccccc21 ZINC001229424820 1375831281 /nfs/dbraw/zinc/83/12/81/1375831281.db2.gz RNBLGKXCVRZKAS-MRXNPFEDSA-N 1 0 343.339 3.129 20 5 EGBDRO O=[N+]([O-])c1ccc2oc(OC3CCN(c4cc[nH+]cc4)CC3)nc2c1 ZINC001229485604 1375843273 /nfs/dbraw/zinc/84/32/73/1375843273.db2.gz BUXHRQXLGYAMFZ-UHFFFAOYSA-N 1 0 340.339 3.179 20 5 EGBDRO CC(C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ccc(Cl)nc1[N+](=O)[O-])C2 ZINC001230880103 1376173098 /nfs/dbraw/zinc/17/30/98/1376173098.db2.gz XERCFMGJMQTMNO-GDNZZTSVSA-N 1 0 325.796 3.426 20 5 EGBDRO C[C@@H](C[N+](C)(C)C)Oc1ncnc2cc(OC(F)(F)F)ccc21 ZINC001231025911 1376194400 /nfs/dbraw/zinc/19/44/00/1376194400.db2.gz ZBQQNSJWRCRONJ-JTQLQIEISA-N 1 0 330.330 3.002 20 5 EGBDRO C[N@@H+]1CCC[C@@H]2CN(Cc3ccc4ccc5cccnc5c4n3)C[C@H]21 ZINC001232226814 1376419408 /nfs/dbraw/zinc/41/94/08/1376419408.db2.gz YNBNDPZMDQWAQR-IEBWSBKVSA-N 1 0 332.451 3.309 20 5 EGBDRO C[N@@H+]1CCC[C@H](Oc2cc(N3CCCCC3)ccc2[N+](=O)[O-])CC1 ZINC001234363464 1376820460 /nfs/dbraw/zinc/82/04/60/1376820460.db2.gz JAWIHWOFTZPLNF-INIZCTEOSA-N 1 0 333.432 3.448 20 5 EGBDRO CC(C)[C@H]1CC[C@H](C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001135733920 1377196937 /nfs/dbraw/zinc/19/69/37/1377196937.db2.gz IQCJYAZEWNWUHN-WKILWMFISA-N 1 0 347.459 3.263 20 5 EGBDRO CCCCCC(=O)N1CC2(C1)CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C2 ZINC001147009860 1378955565 /nfs/dbraw/zinc/95/55/65/1378955565.db2.gz PTUGYZZSXIUEQL-UHFFFAOYSA-N 1 0 345.443 3.209 20 5 EGBDRO Cc1ncc(C[NH3+])c(=N)n1C(=O)c1c2ccccc2cc2ccccc21 ZINC001153499500 1380085875 /nfs/dbraw/zinc/08/58/75/1380085875.db2.gz RVLWFYWENJJVOV-UHFFFAOYSA-N 1 0 342.402 3.125 20 5 EGBDRO C[N@@H+]1CCC[C@H](CCNC(=O)c2cccc3nc4ccccc4nc32)C1 ZINC001153870420 1380146995 /nfs/dbraw/zinc/14/69/95/1380146995.db2.gz BYRWBBXHFYZWNC-OAHLLOKOSA-N 1 0 348.450 3.245 20 5 EGBDRO C[NH+](C)CCCCCNC(=O)c1cccc2nc3ccccc3nc21 ZINC001153869254 1380147170 /nfs/dbraw/zinc/14/71/70/1380147170.db2.gz MXFUNYBKSRVGIS-UHFFFAOYSA-N 1 0 336.439 3.245 20 5 EGBDRO CC(C)N(C(=O)c1ccnc2c1ccc1cccnc12)C(C)(C)C[NH3+] ZINC001155820412 1380495317 /nfs/dbraw/zinc/49/53/17/1380495317.db2.gz LOGNBWWHIRVEMW-UHFFFAOYSA-N 1 0 336.439 3.371 20 5 EGBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2CC[NH2+]C[C@@H]2c2cccs2)n1 ZINC001156098051 1380524910 /nfs/dbraw/zinc/52/49/10/1380524910.db2.gz NOEKQKFMDAVHEB-LLVKDONJSA-N 1 0 338.820 3.164 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(N2CCC3(CC2)CC[NH+](C)CC3)nc1Cl ZINC001156576565 1380595923 /nfs/dbraw/zinc/59/59/23/1380595923.db2.gz PVQVMYDMVUTGEU-UHFFFAOYSA-N 1 0 338.839 3.264 20 5 EGBDRO CC[N@@H+]1CCN(c2cc([N+](=O)[O-])cc3c(Cl)ncnc32)C(C)(C)C1 ZINC001158569496 1381305724 /nfs/dbraw/zinc/30/57/24/1381305724.db2.gz OEKJZPQOGSBZQZ-UHFFFAOYSA-N 1 0 349.822 3.112 20 5 EGBDRO COc1cnc(N2CCC[C@H]([NH3+])c3cc(C)ccc32)c([N+](=O)[O-])c1 ZINC001158728560 1381371362 /nfs/dbraw/zinc/37/13/62/1381371362.db2.gz CHEXVLWNGLZBBU-AWEZNQCLSA-N 1 0 328.372 3.239 20 5 EGBDRO Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1cc([N+](=O)[O-])cc(Cl)[n+]1[O-] ZINC001158735358 1381374760 /nfs/dbraw/zinc/37/47/60/1381374760.db2.gz CSSWJPDWJCQMRU-ZDUSSCGKSA-N 1 0 348.790 3.122 20 5 EGBDRO Cc1ccc(N(CC2CC[NH2+]CC2)c2ncccc2N)cc1[N+](=O)[O-] ZINC001159334669 1381767905 /nfs/dbraw/zinc/76/79/05/1381767905.db2.gz YTWRJARCWVTFJQ-UHFFFAOYSA-N 1 0 341.415 3.018 20 5 EGBDRO O=[N+]([O-])c1cc(Nc2ccc(OCC3CC[NH2+]CC3)nc2)ccc1F ZINC001159343205 1381770747 /nfs/dbraw/zinc/77/07/47/1381770747.db2.gz AWCBAWYJCXJTGI-UHFFFAOYSA-N 1 0 346.362 3.251 20 5 EGBDRO O=[N+]([O-])c1cc(F)cc(Nc2ccc(OCC3CC[NH2+]CC3)nc2)c1 ZINC001159344103 1381771284 /nfs/dbraw/zinc/77/12/84/1381771284.db2.gz NCBZXQNFTDDBSN-UHFFFAOYSA-N 1 0 346.362 3.251 20 5 EGBDRO O=[N+]([O-])c1cccc(Nc2ccc(OCC3CC[NH2+]CC3)nc2)c1F ZINC001159343481 1381771298 /nfs/dbraw/zinc/77/12/98/1381771298.db2.gz HOHDTNMYGXUMAG-UHFFFAOYSA-N 1 0 346.362 3.251 20 5 EGBDRO Cc1c(C)c(N(CC[NH3+])C23CC4CC(CC(C4)C2)C3)ncc1[N+](=O)[O-] ZINC001159546165 1381823500 /nfs/dbraw/zinc/82/35/00/1381823500.db2.gz RMMQTYLLAWTERL-UHFFFAOYSA-N 1 0 344.459 3.341 20 5 EGBDRO COc1ccc(Nc2ccccc2OC2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC001159796444 1381903073 /nfs/dbraw/zinc/90/30/73/1381903073.db2.gz PNOIRJAIWKTJDD-UHFFFAOYSA-N 1 0 343.383 3.478 20 5 EGBDRO Nc1ccc2n(-c3cccc4c3CC[NH2+]C4)c3ccccc3cc-2c1=O ZINC001160005551 1381965858 /nfs/dbraw/zinc/96/58/58/1381965858.db2.gz JEPUXFMMGZZWNE-UHFFFAOYSA-N 1 0 341.414 3.323 20 5 EGBDRO [NH3+][C@@H]1CCN(c2ccc(F)cc2Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC001160056018 1381984243 /nfs/dbraw/zinc/98/42/43/1381984243.db2.gz LYTOGEUCVPLSGL-LLVKDONJSA-N 1 0 334.326 3.154 20 5 EGBDRO O=[N+]([O-])c1cc(F)ccc1Nc1cccc(F)c1N1CC[NH2+]CC1 ZINC001160113763 1382000989 /nfs/dbraw/zinc/00/09/89/1382000989.db2.gz DHEHYHWHWGEJFY-UHFFFAOYSA-N 1 0 334.326 3.026 20 5 EGBDRO O=[N+]([O-])c1cc(Nc2cc(F)ccc2O[C@@H]2CC[NH2+]C2)ccc1F ZINC001160142073 1382014012 /nfs/dbraw/zinc/01/40/12/1382014012.db2.gz VCPPSHHOCCCNAT-GFCCVEGCSA-N 1 0 335.310 3.357 20 5 EGBDRO [NH3+]C[C@@H]1COc2ccccc2N1c1ccc2ccc([N+](=O)[O-])cc2n1 ZINC001160200006 1382031653 /nfs/dbraw/zinc/03/16/53/1382031653.db2.gz NAATYNUQPJQTIR-CQSZACIVSA-N 1 0 336.351 3.001 20 5 EGBDRO Nc1ccc(Nc2ccc(C[C@@H]3CCC[NH2+]C3)cc2)cc1[N+](=O)[O-] ZINC001160265561 1382055497 /nfs/dbraw/zinc/05/54/97/1382055497.db2.gz PFEMUWAEXOXAAP-AWEZNQCLSA-N 1 0 326.400 3.463 20 5 EGBDRO O=[N+]([O-])c1ccc(Nc2ccccc2CN2CC[NH2+]CC2)c(Cl)c1 ZINC001160298591 1382065985 /nfs/dbraw/zinc/06/59/85/1382065985.db2.gz AWWQCJUZBHGPIF-UHFFFAOYSA-N 1 0 346.818 3.397 20 5 EGBDRO C[C@@H](C[NH3+])CN(Cc1ccccc1)c1ncc(Cl)cc1[N+](=O)[O-] ZINC001160660010 1382162938 /nfs/dbraw/zinc/16/29/38/1382162938.db2.gz DRBUCCGESLDFEE-LBPRGKRZSA-N 1 0 334.807 3.245 20 5 EGBDRO Cc1c(C)c(N(Cc2ccccc2)C[C@@H](C)C[NH3+])ncc1[N+](=O)[O-] ZINC001160661538 1382163602 /nfs/dbraw/zinc/16/36/02/1382163602.db2.gz HQIBPHAZGCGIAM-ZDUSSCGKSA-N 1 0 328.416 3.208 20 5 EGBDRO CN(Cc1c2ccccc2cc2ccccc21)C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC001160738470 1382183212 /nfs/dbraw/zinc/18/32/12/1382183212.db2.gz MNPMLKBJDAOGKN-KXTWHKPSSA-N 1 0 330.431 3.417 20 5 EGBDRO COc1cnc(-n2cc(C(C)(C)C[NH3+])c3ccccc32)c([N+](=O)[O-])c1 ZINC001160843322 1382214681 /nfs/dbraw/zinc/21/46/81/1382214681.db2.gz WOUWAAXLPJYWAH-UHFFFAOYSA-N 1 0 340.383 3.179 20 5 EGBDRO [NH3+]Cc1ccccc1CNc1ccc(-c2ccc([N+](=O)[O-])cc2)nn1 ZINC001160908782 1382230199 /nfs/dbraw/zinc/23/01/99/1382230199.db2.gz XVRHYWIERSEALP-UHFFFAOYSA-N 1 0 335.367 3.123 20 5 EGBDRO [NH3+]Cc1ccccc1CNc1nc(Cl)c(Cl)cc1[N+](=O)[O-] ZINC001160906255 1382230416 /nfs/dbraw/zinc/23/04/16/1382230416.db2.gz RIHUWOIKOZVQCU-UHFFFAOYSA-N 1 0 327.171 3.367 20 5 EGBDRO C[N@@H+]1CCC[C@@H]1CCNc1nc(Cl)nc2ccc([N+](=O)[O-])cc21 ZINC001160965302 1382252968 /nfs/dbraw/zinc/25/29/68/1382252968.db2.gz WAYPPFHMPMMNEE-SNVBAGLBSA-N 1 0 335.795 3.088 20 5 EGBDRO [NH3+]C1(CC2CCC2)CCN(c2ncnc3cc([N+](=O)[O-])ccc32)CC1 ZINC001161571238 1382442799 /nfs/dbraw/zinc/44/27/99/1382442799.db2.gz BUWGHSDBDYKUAM-UHFFFAOYSA-N 1 0 341.415 3.026 20 5 EGBDRO Cc1ccnc(Nc2ccc(Br)cc2C[NH3+])c1[N+](=O)[O-] ZINC001161852251 1382529222 /nfs/dbraw/zinc/52/92/22/1382529222.db2.gz IDGJVHYXIIGTCZ-UHFFFAOYSA-N 1 0 337.177 3.263 20 5 EGBDRO O=[N+]([O-])c1cc2c(cc1NCc1cccc(OC(F)F)c1)C[NH2+]C2 ZINC001161987733 1382590397 /nfs/dbraw/zinc/59/03/97/1382590397.db2.gz YXZWOUHKPLLUTJ-UHFFFAOYSA-N 1 0 335.310 3.412 20 5 EGBDRO CCOc1cc([N+](=O)[O-])ccc1-n1c2ccccc2nc1[C@@H](C)[NH3+] ZINC001162764983 1382864543 /nfs/dbraw/zinc/86/45/43/1382864543.db2.gz CEYWJNNOKBQUTF-LLVKDONJSA-N 1 0 326.356 3.352 20 5 EGBDRO CCCC(C[NH3+])(CCC)Nc1nc(Cl)nc(SC)c1[N+](=O)[O-] ZINC001163038549 1382953086 /nfs/dbraw/zinc/95/30/86/1382953086.db2.gz IMMJKHCRKPFXKC-UHFFFAOYSA-N 1 0 347.872 3.470 20 5 EGBDRO Cc1c(NCC[C@@H]2C[NH2+]Cc3cccn3C2)cc(F)cc1[N+](=O)[O-] ZINC001163056281 1382956873 /nfs/dbraw/zinc/95/68/73/1382956873.db2.gz CJWGZIPCHNFLSV-CYBMUJFWSA-N 1 0 332.379 3.065 20 5 EGBDRO [NH3+]Cc1ccc(-c2cn(-c3ccc4c(cccc4[N+](=O)[O-])n3)cn2)cc1 ZINC001163219077 1382995802 /nfs/dbraw/zinc/99/58/02/1382995802.db2.gz VZLAJTPWSCHCNX-UHFFFAOYSA-N 1 0 345.362 3.454 20 5 EGBDRO COC(=O)c1c(C)c([N+](=O)[O-])ccc1N[C@H]1C[NH2+]Cc2ccsc21 ZINC001163239990 1383003384 /nfs/dbraw/zinc/00/33/84/1383003384.db2.gz TYYSLXWGJRQUFE-LBPRGKRZSA-N 1 0 347.396 3.008 20 5 EGBDRO O=[N+]([O-])c1cccc2ccc(NC[C@@H]3Cc4ccccc4C[NH2+]3)nc21 ZINC001163271588 1383009953 /nfs/dbraw/zinc/00/99/53/1383009953.db2.gz CSJZDUZBLDQAKS-INIZCTEOSA-N 1 0 334.379 3.269 20 5 EGBDRO COc1cccc([C@H](C[NH3+])Nc2nc(Cl)cc(C)c2[N+](=O)[O-])c1 ZINC001163306963 1383017234 /nfs/dbraw/zinc/01/72/34/1383017234.db2.gz UTMWJTCSPXAKGK-LBPRGKRZSA-N 1 0 336.779 3.072 20 5 EGBDRO CC(C)=C(F)C(=O)NCCC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001164070236 1383152741 /nfs/dbraw/zinc/15/27/41/1383152741.db2.gz JKLXTEGGDPARMM-UHFFFAOYSA-N 1 0 349.406 3.234 20 5 EGBDRO CCCC1(C(=O)NCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)CCC1 ZINC001164214135 1383167144 /nfs/dbraw/zinc/16/71/44/1383167144.db2.gz RVHDSHHHBDMHAB-UHFFFAOYSA-N 1 0 333.432 3.161 20 5 EGBDRO C[C@@H]1CC[C@H](C[NH3+])CN1c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC001164474718 1383190371 /nfs/dbraw/zinc/19/03/71/1383190371.db2.gz UEQMBFAUTAAGJW-CHWSQXEVSA-N 1 0 344.390 3.360 20 5 EGBDRO O=[N+]([O-])c1ccc2c(ccnc2N2CC[NH2+][C@H](Cc3ccccc3)C2)c1 ZINC001164626828 1383210875 /nfs/dbraw/zinc/21/08/75/1383210875.db2.gz OOMQENQGWYDRSR-QGZVFWFLSA-N 1 0 348.406 3.164 20 5 EGBDRO C[NH+](C)C[C@@H]1CCCN1c1nc2ccccc2c(Cl)c1[N+](=O)[O-] ZINC001165074164 1383222105 /nfs/dbraw/zinc/22/21/05/1383222105.db2.gz YNTKCCHDWMSTLI-NSHDSACASA-N 1 0 334.807 3.327 20 5 EGBDRO C[N@H+]1C[C@H]2CN(c3ccc4ccc5ccc(Cl)nc5c4n3)C[C@H]2C1 ZINC001165149950 1383237312 /nfs/dbraw/zinc/23/73/12/1383237312.db2.gz LSERIYBSRGLDDQ-GASCZTMLSA-N 1 0 338.842 3.434 20 5 EGBDRO COc1cc([N+](=O)[O-])c(NCC2CC[NH+](C(C)C)CC2)cc1F ZINC001166623156 1383448782 /nfs/dbraw/zinc/44/87/82/1383448782.db2.gz LNFCLUYWYKYYOX-UHFFFAOYSA-N 1 0 325.384 3.275 20 5 EGBDRO COC(=O)C1(Nc2nc3ccccc3c3ccccc23)CC[NH2+]CC1 ZINC001166982829 1383509505 /nfs/dbraw/zinc/50/95/05/1383509505.db2.gz XHGRFWMTJFPANM-UHFFFAOYSA-N 1 0 335.407 3.095 20 5 EGBDRO Cc1cccc(N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C)c1[N+](=O)[O-] ZINC001167943617 1383774507 /nfs/dbraw/zinc/77/45/07/1383774507.db2.gz DMUWNBPYNKJJTP-AWEZNQCLSA-N 1 0 337.420 3.154 20 5 EGBDRO [NH3+][C@H]1CCc2nn(-c3ccc(-c4ccc([N+](=O)[O-])cc4)cc3)cc2C1 ZINC001168819209 1384017653 /nfs/dbraw/zinc/01/76/53/1384017653.db2.gz WLAVQDXRJQNYDU-INIZCTEOSA-N 1 0 334.379 3.264 20 5 EGBDRO [NH3+]Cc1ccc2ncn(-c3cc(C(F)(F)F)ccc3[N+](=O)[O-])c2c1 ZINC001168844752 1384032258 /nfs/dbraw/zinc/03/22/58/1384032258.db2.gz QTVBJTBTRNCCIJ-UHFFFAOYSA-N 1 0 336.273 3.411 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CCCc2cncc(C(F)(F)F)c2)C1 ZINC001168959381 1384070271 /nfs/dbraw/zinc/07/02/71/1384070271.db2.gz VJEGXPFCYCWLIG-JSGCOSHPSA-N 1 0 331.338 3.068 20 5 EGBDRO CC(C)(C)C(=O)Oc1ccc(CC[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001168955509 1384070744 /nfs/dbraw/zinc/07/07/44/1384070744.db2.gz BBLZSWSSGNJEQJ-JKSUJKDBSA-N 1 0 348.443 3.216 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2ccc(Br)cc2F)C1 ZINC001168955771 1384071114 /nfs/dbraw/zinc/07/11/14/1384071114.db2.gz CCWWVRAKSWLWGV-JOYOIKCWSA-N 1 0 331.185 3.123 20 5 EGBDRO O=C(c1ccccc1)c1ccc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001168968488 1384073266 /nfs/dbraw/zinc/07/32/66/1384073266.db2.gz ZKHFLJDZGQFZRS-LPHOPBHVSA-N 1 0 338.407 3.453 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C2(c3ccc(Br)cc3)CC2)C1 ZINC001168982880 1384078521 /nfs/dbraw/zinc/07/85/21/1384078521.db2.gz JEOXENLRCIIRCL-BXUZGUMPSA-N 1 0 339.233 3.473 20 5 EGBDRO C[C@H](Cc1ccccc1Br)[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168985003 1384079740 /nfs/dbraw/zinc/07/97/40/1384079740.db2.gz BYAYTJUTGSGTGL-YRGRVCCFSA-N 1 0 341.249 3.415 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]C2(c3ccccc3Cl)CCOCC2)C1 ZINC001168990664 1384080188 /nfs/dbraw/zinc/08/01/88/1384080188.db2.gz CZGXLXNECOCKLQ-UONOGXRCSA-N 1 0 338.835 3.381 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H](c2ccc(F)cc2)C2CCOCC2)C1 ZINC001168986765 1384080288 /nfs/dbraw/zinc/08/02/88/1384080288.db2.gz ZAWXSTXNCUCWCF-XWIAVFTESA-N 1 0 336.407 3.328 20 5 EGBDRO O=C(c1ccc(F)cc1)C1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169005350 1384084838 /nfs/dbraw/zinc/08/48/38/1384084838.db2.gz BBWXKYMYTKQLMI-CXAGYDPISA-N 1 0 334.391 3.166 20 5 EGBDRO C[N@H+](Cc1ccc(Br)cc1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169023881 1384091971 /nfs/dbraw/zinc/09/19/71/1384091971.db2.gz GDRDITBJKAFMSH-GXTWGEPZSA-N 1 0 327.222 3.326 20 5 EGBDRO C[C@]1(c2ccc(Cl)cc2)C[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CCO1 ZINC001169039550 1384097859 /nfs/dbraw/zinc/09/78/59/1384097859.db2.gz RCQCOMMLYNWZTL-XOKHGSTOSA-N 1 0 338.835 3.333 20 5 EGBDRO CCOc1ccc(NC2CC[NH+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)cc1 ZINC001169042135 1384098452 /nfs/dbraw/zinc/09/84/52/1384098452.db2.gz CZPNMJNBDHBUGK-YJBOKZPZSA-N 1 0 347.459 3.407 20 5 EGBDRO COC(=O)c1cccc(C2CC[NH+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)c1 ZINC001169039681 1384098688 /nfs/dbraw/zinc/09/86/88/1384098688.db2.gz SCOYDXQOLDAHPQ-RDTXWAMCSA-N 1 0 346.427 3.098 20 5 EGBDRO COc1ccccc1S[C@@H]1CC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169047461 1384100143 /nfs/dbraw/zinc/10/01/43/1384100143.db2.gz RCXKDVVQNDUFSP-SOUVJXGZSA-N 1 0 336.457 3.307 20 5 EGBDRO O=[N+]([O-])c1ccc(NCc2ncn3c2C[NH2+]CCC3)c2ccccc21 ZINC001169243608 1384126287 /nfs/dbraw/zinc/12/62/87/1384126287.db2.gz PEOQBKULMJBPOB-UHFFFAOYSA-N 1 0 337.383 3.050 20 5 EGBDRO COc1ncc([N+](=O)[O-])cc1N1CCC[C@@H]([NH3+])c2cc(C)ccc21 ZINC001169699254 1384175084 /nfs/dbraw/zinc/17/50/84/1384175084.db2.gz WBRHXCQPPBKHOY-CQSZACIVSA-N 1 0 328.372 3.239 20 5 EGBDRO COc1ccc(C[C@H](C)Nc2cccc(F)c2C[NH3+])c([N+](=O)[O-])c1 ZINC001170296963 1384284302 /nfs/dbraw/zinc/28/43/02/1384284302.db2.gz ISRGCFRNCOAIPJ-NSHDSACASA-N 1 0 333.363 3.244 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+]Cc2ccc(O)c(OC)c2)c([N+](=O)[O-])c1 ZINC001170296987 1384284457 /nfs/dbraw/zinc/28/44/57/1384284457.db2.gz JGVVQBWRRVHIES-LBPRGKRZSA-N 1 0 346.383 3.038 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2ccc(O)c(OC)c2)c([N+](=O)[O-])c1 ZINC001170296986 1384284536 /nfs/dbraw/zinc/28/45/36/1384284536.db2.gz JGVVQBWRRVHIES-GFCCVEGCSA-N 1 0 346.383 3.038 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+]CCCc2ccccn2)c([N+](=O)[O-])c1 ZINC001170304528 1384286207 /nfs/dbraw/zinc/28/62/07/1384286207.db2.gz DMIOBLJSARQPFZ-AWEZNQCLSA-N 1 0 329.400 3.152 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2ccc(Cl)cn2)c([N+](=O)[O-])c1 ZINC001170307813 1384287176 /nfs/dbraw/zinc/28/71/76/1384287176.db2.gz IDBPFXVSLZLCKA-LLVKDONJSA-N 1 0 335.791 3.373 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+]C2(c3ccccc3)COC2)c([N+](=O)[O-])c1 ZINC001170307216 1384287408 /nfs/dbraw/zinc/28/74/08/1384287408.db2.gz FOEJUWBAGISBQW-AWEZNQCLSA-N 1 0 342.395 3.050 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+][C@H]2COc3ccc(F)cc32)c([N+](=O)[O-])c1 ZINC001170311363 1384287516 /nfs/dbraw/zinc/28/75/16/1384287516.db2.gz AYJXHOMWRLJTFB-ZBEGNZNMSA-N 1 0 346.358 3.397 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+]CC[C@@H](O)c2ccccc2)c([N+](=O)[O-])c1 ZINC001170308141 1384287649 /nfs/dbraw/zinc/28/76/49/1384287649.db2.gz LAKNABSCIVIHAF-IFXJQAMLSA-N 1 0 344.411 3.248 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+]C2(c3ccncc3)CC2)c([N+](=O)[O-])c1 ZINC001170310440 1384287668 /nfs/dbraw/zinc/28/76/68/1384287668.db2.gz WCOJZDRFDGOXAW-CYBMUJFWSA-N 1 0 327.384 3.208 20 5 EGBDRO COc1ccc(C[C@@H](C)NC(=[NH2+])c2cccc(C)c2)c([N+](=O)[O-])c1 ZINC001170315515 1384289350 /nfs/dbraw/zinc/28/93/50/1384289350.db2.gz YALLJCDMQJZKNL-CYBMUJFWSA-N 1 0 327.384 3.458 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2noc3ccccc23)c([N+](=O)[O-])c1 ZINC001170317215 1384289418 /nfs/dbraw/zinc/28/94/18/1384289418.db2.gz CEULSGFDNOWBHY-GFCCVEGCSA-N 1 0 341.367 3.465 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+][C@H]2Cc3ccc(F)cc3C2)c([N+](=O)[O-])c1 ZINC001170326585 1384292062 /nfs/dbraw/zinc/29/20/62/1384292062.db2.gz NFQPZEHPBRAXIX-SJCJKPOMSA-N 1 0 344.386 3.431 20 5 EGBDRO COc1ccc(C[C@H](C)[N@@H+]2CC[C@H](C)[C@](C)(O)CC2)c([N+](=O)[O-])c1 ZINC001170329519 1384292630 /nfs/dbraw/zinc/29/26/30/1384292630.db2.gz QIWMSNWGCSVVMP-SUNYJGFJSA-N 1 0 336.432 3.017 20 5 EGBDRO COc1ccc(C[C@@H](C)[N@@H+]2CCC[C@]3(CCOC3)C2)c([N+](=O)[O-])c1 ZINC001170334106 1384293761 /nfs/dbraw/zinc/29/37/61/1384293761.db2.gz BNROUPQDEFYJJM-KDOFPFPSSA-N 1 0 334.416 3.037 20 5 EGBDRO COc1ccc(C[C@H](C)[N@@H+]2CCC[C@](C)(CO)CC2)c([N+](=O)[O-])c1 ZINC001170335498 1384294494 /nfs/dbraw/zinc/29/44/94/1384294494.db2.gz ORKQHXVRSPUIGF-KSSFIOAISA-N 1 0 336.432 3.019 20 5 EGBDRO COc1ccc(C[C@@H](C)N2CC[C@@H]([NH+]3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC001170347984 1384296586 /nfs/dbraw/zinc/29/65/86/1384296586.db2.gz ULAZYENIIQADKL-NVXWUHKLSA-N 1 0 347.459 3.095 20 5 EGBDRO COc1ccc(C[C@@H](C)[N@@H+]2CC[C@@H](c3cccnc3)C2)c([N+](=O)[O-])c1 ZINC001170348579 1384297581 /nfs/dbraw/zinc/29/75/81/1384297581.db2.gz YTQYDVMVDHQCFI-RHSMWYFYSA-N 1 0 341.411 3.419 20 5 EGBDRO CCCSc1nc(Cl)c([N+](=O)[O-])c(N[C@@H]2CCC[C@H]([NH3+])C2)n1 ZINC001170618981 1384350954 /nfs/dbraw/zinc/35/09/54/1384350954.db2.gz VRBXDFMBHGHNTQ-DTWKUNHWSA-N 1 0 345.856 3.222 20 5 EGBDRO COc1cnc(-n2cc(C[C@H](C)[NH3+])c3ccc(C)cc32)cc1[N+](=O)[O-] ZINC001171167939 1384459205 /nfs/dbraw/zinc/45/92/05/1384459205.db2.gz RMUREELXGBUTKA-LBPRGKRZSA-N 1 0 340.383 3.140 20 5 EGBDRO [NH3+]Cc1ccc2cn(-c3ccc([N+](=O)[O-])cc3C(F)(F)F)nc2c1 ZINC001171324689 1384495230 /nfs/dbraw/zinc/49/52/30/1384495230.db2.gz IJZBYUQPBQEBFI-UHFFFAOYSA-N 1 0 336.273 3.411 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](CO)CC(F)(F)F ZINC001335836425 1388947510 /nfs/dbraw/zinc/94/75/10/1388947510.db2.gz COGSKTBCOUIIKX-BDAKNGLRSA-N 1 0 338.351 3.281 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]C[C@H]1Cc3ccccc3O1)CC2 ZINC001172897630 1384873586 /nfs/dbraw/zinc/87/35/86/1384873586.db2.gz BIXVCIMUDGUUAO-PKOBYXMFSA-N 1 0 338.407 3.436 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]Cc1cccc(CCO)c1)CC2 ZINC001172904004 1384874903 /nfs/dbraw/zinc/87/49/03/1384874903.db2.gz UTRBYEDDLAPVGX-LJQANCHMSA-N 1 0 340.423 3.167 20 5 EGBDRO CCOc1ccc(C[NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)cn1 ZINC001172902560 1384875105 /nfs/dbraw/zinc/87/51/05/1384875105.db2.gz ZWYVPZUUQCRDTL-KRWDZBQOSA-N 1 0 341.411 3.426 20 5 EGBDRO CC(C)n1cncc1C[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172907008 1384875392 /nfs/dbraw/zinc/87/53/92/1384875392.db2.gz ZVFHESPTSYEUCT-INIZCTEOSA-N 1 0 328.416 3.409 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CC[C@H]3CCCO[C@@H]3C1)CC2 ZINC001172905610 1384875475 /nfs/dbraw/zinc/87/54/75/1384875475.db2.gz SRFMRDDWQVUZLV-SZVBFZGTSA-N 1 0 330.428 3.343 20 5 EGBDRO O=C1CCC[C@@H]2C[N@@H+]([C@H]3CCc4ccc([N+](=O)[O-])cc4CC3)C[C@H]12 ZINC001172914132 1384876580 /nfs/dbraw/zinc/87/65/80/1384876580.db2.gz ZTJLFFBIIQMWPJ-RYRKJORJSA-N 1 0 328.412 3.143 20 5 EGBDRO O=C(C[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1)Cc1ccccc1 ZINC001172913582 1384876597 /nfs/dbraw/zinc/87/65/97/1384876597.db2.gz XJJLHTSSSBLQPD-GOSISDBHSA-N 1 0 338.407 3.244 20 5 EGBDRO COC1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172918646 1384878072 /nfs/dbraw/zinc/87/80/72/1384878072.db2.gz BZZNRWGABGUNCQ-IAZCMVOBSA-N 1 0 330.428 3.484 20 5 EGBDRO CC[N@H+](CCn1cccn1)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172918586 1384878606 /nfs/dbraw/zinc/87/86/06/1384878606.db2.gz BNDFRUCXAOHMAK-QGZVFWFLSA-N 1 0 328.416 3.061 20 5 EGBDRO COC(=O)C[N@H+](C1CCCC1)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172919621 1384878843 /nfs/dbraw/zinc/87/88/43/1384878843.db2.gz GVFHMTLSCQWNEU-KRWDZBQOSA-N 1 0 346.427 3.260 20 5 EGBDRO O=[N+]([O-])c1cc(F)c(N2CCC([N@@H+]3CCC[C@@H](F)C3)CC2)c(F)c1 ZINC001173012497 1384898094 /nfs/dbraw/zinc/89/80/94/1384898094.db2.gz FJGCLUNQFXXICX-LLVKDONJSA-N 1 0 343.349 3.276 20 5 EGBDRO CC[C@H](C)C[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173007737 1384898165 /nfs/dbraw/zinc/89/81/65/1384898165.db2.gz ZFJKVFCWFPWQAH-NSHDSACASA-N 1 0 327.375 3.478 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)Nc2ccc(CC[NH3+])cc2)c1F ZINC001173175831 1384931656 /nfs/dbraw/zinc/93/16/56/1384931656.db2.gz DNFFRBWSYOVSLA-LBPRGKRZSA-N 1 0 347.390 3.287 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@@H](C)c2ccccn2)c1F ZINC001173176646 1384931753 /nfs/dbraw/zinc/93/17/53/1384931753.db2.gz LEPPERHNENZPHR-NEPJUHHUSA-N 1 0 333.363 3.419 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CCOC2CCCC2)c1F ZINC001173184215 1384932493 /nfs/dbraw/zinc/93/24/93/1384932493.db2.gz OXJWKVFAULKWGE-GFCCVEGCSA-N 1 0 340.395 3.222 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2CCc3ncccc3C2)c1F ZINC001173189663 1384933115 /nfs/dbraw/zinc/93/31/15/1384933115.db2.gz LMEIWIGIPUVEAZ-GFCCVEGCSA-N 1 0 345.374 3.127 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@@H]2CCOC(C)(C)C2)c1F ZINC001173189348 1384933165 /nfs/dbraw/zinc/93/31/65/1384933165.db2.gz OOAIPASTINEKJN-NWDGAFQWSA-N 1 0 340.395 3.221 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@H]2COc3ccccc32)c1F ZINC001173189014 1384933227 /nfs/dbraw/zinc/93/32/27/1384933227.db2.gz MXIGZYQGCFMXNC-FZMZJTMJSA-N 1 0 346.358 3.397 20 5 EGBDRO CCCOCCC[NH2+][C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173188574 1384933283 /nfs/dbraw/zinc/93/32/83/1384933283.db2.gz KVVLPIPCCSCVNT-LBPRGKRZSA-N 1 0 328.384 3.080 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+]2CC[C@H](OC)C[C@@H]2C)c1F ZINC001173192869 1384934018 /nfs/dbraw/zinc/93/40/18/1384934018.db2.gz LGMMJOWKTGGKND-AVGNSLFASA-N 1 0 340.395 3.173 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H](C)NC(=O)OC(C)(C)C ZINC001173209358 1384936394 /nfs/dbraw/zinc/93/63/94/1384936394.db2.gz BTYOAARMLFJNPB-OLZOCXBDSA-N 1 0 337.420 3.029 20 5 EGBDRO Cc1nc(C2CC[NH+]([C@H](C)Cc3ccc([N+](=O)[O-])cc3)CC2)no1 ZINC001173226573 1384939679 /nfs/dbraw/zinc/93/96/79/1384939679.db2.gz KMEZLLQYMWAEKN-GFCCVEGCSA-N 1 0 330.388 3.097 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](CO)Cc1cccc(Cl)c1 ZINC001173232855 1384941676 /nfs/dbraw/zinc/94/16/76/1384941676.db2.gz GGYDCJYBCYAODP-GUYCJALGSA-N 1 0 348.830 3.372 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc(OC(F)F)nc1 ZINC001173236096 1384942317 /nfs/dbraw/zinc/94/23/17/1384942317.db2.gz WODQSPMIAUYEPT-LLVKDONJSA-N 1 0 337.326 3.312 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[C@H]([NH+]2CCCC2)[C@@H](F)C1 ZINC001173238446 1384942638 /nfs/dbraw/zinc/94/26/38/1384942638.db2.gz SPARSDNWYIKYBX-JLSDUUJJSA-N 1 0 335.423 3.034 20 5 EGBDRO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC001318399008 1385671460 /nfs/dbraw/zinc/67/14/60/1385671460.db2.gz WMUZAWJCCRKNES-KBPBESRZSA-N 1 0 347.440 3.412 20 5 EGBDRO CC[NH+](CC)C1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC001318978188 1385906651 /nfs/dbraw/zinc/90/66/51/1385906651.db2.gz ZMFJXZZVCGPKAS-UHFFFAOYSA-N 1 0 332.404 3.042 20 5 EGBDRO CS[C@@H]1CC[C@@H]([N@H+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC001319327422 1386060308 /nfs/dbraw/zinc/06/03/08/1386060308.db2.gz YGNNMAVDSWADAC-TZMCWYRMSA-N 1 0 337.445 3.058 20 5 EGBDRO C/C=C(\C)C(=O)NCCCCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001178144087 1386140577 /nfs/dbraw/zinc/14/05/77/1386140577.db2.gz CJULAHBETBCAAY-CRKCGEKBSA-N 1 0 333.432 3.327 20 5 EGBDRO CS[C@@H]1CC[C@H]([N@H+](C)Cn2nc(C)c3cc([N+](=O)[O-])ccc32)C1 ZINC001319748828 1386278933 /nfs/dbraw/zinc/27/89/33/1386278933.db2.gz CBONLMGNWWTNDP-GXTWGEPZSA-N 1 0 334.445 3.426 20 5 EGBDRO CCC[C@H]([NH2+][C@@H](C)C(=O)NCC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC001319849659 1386333698 /nfs/dbraw/zinc/33/36/98/1386333698.db2.gz RYBOJSMXIDCESR-GWCFXTLKSA-N 1 0 347.337 3.093 20 5 EGBDRO Cc1c(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)ccc2c[nH+]cn21 ZINC001320263568 1386565019 /nfs/dbraw/zinc/56/50/19/1386565019.db2.gz SEPLKGYTTKVVTN-UHFFFAOYSA-N 1 0 344.758 3.134 20 5 EGBDRO Cc1ccc([C@H](C)NC(=O)c2ccc3c[nH+]cn3c2C)cc1[N+](=O)[O-] ZINC001320264289 1386565200 /nfs/dbraw/zinc/56/52/00/1386565200.db2.gz WHOGQUBCUQXQFW-LBPRGKRZSA-N 1 0 338.367 3.350 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2nc([C@H]3C[NH+]4CCC3CC4)no2)c(Cl)c1 ZINC001320326238 1386576454 /nfs/dbraw/zinc/57/64/54/1386576454.db2.gz FMUXHWUVXWLLMS-LBPRGKRZSA-N 1 0 334.763 3.107 20 5 EGBDRO C[NH+]1CCN(Cc2cccc(CNc3sccc3[N+](=O)[O-])c2)CC1 ZINC001320638069 1386675105 /nfs/dbraw/zinc/67/51/05/1386675105.db2.gz QDOYNKSMBPLKJA-UHFFFAOYSA-N 1 0 346.456 3.016 20 5 EGBDRO CC[C@H]([NH2+]C[C@@H](CO)CC1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC001320881705 1386746912 /nfs/dbraw/zinc/74/69/12/1386746912.db2.gz WUNNQFKOQWKTEY-YJBOKZPZSA-N 1 0 336.432 3.061 20 5 EGBDRO COC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC001321867245 1387000179 /nfs/dbraw/zinc/00/01/79/1387000179.db2.gz KFXBVIRNXMRJJH-HZPDHXFCSA-N 1 0 344.367 3.286 20 5 EGBDRO C[C@@H](C[NH+]1CCC(C)CC1)c1nnc(-c2ccc(N)c([N+](=O)[O-])c2)o1 ZINC001322536078 1387202364 /nfs/dbraw/zinc/20/23/64/1387202364.db2.gz CXNHBJMJPCQVDC-LBPRGKRZSA-N 1 0 345.403 3.062 20 5 EGBDRO O=[N+]([O-])c1cnc(N2CCC[C@H]([NH+]3CCCC3)C2)c2ccccc21 ZINC001331096353 1389628240 /nfs/dbraw/zinc/62/82/40/1389628240.db2.gz YERKWXAWMYJWGA-AWEZNQCLSA-N 1 0 326.400 3.208 20 5 EGBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(c2ncc([N+](=O)[O-])c3ccccc32)C1 ZINC001331132805 1389634526 /nfs/dbraw/zinc/63/45/26/1389634526.db2.gz HLGFLGZZAMSEDV-HNNXBMFYSA-N 1 0 340.427 3.311 20 5 EGBDRO CCS[C@H]1CCC[C@@H]([NH2+]Cc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC001333699128 1390377479 /nfs/dbraw/zinc/37/74/79/1390377479.db2.gz RRCGZOWUUGRXDO-OLZOCXBDSA-N 1 0 340.445 3.463 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1-c1noc(C[C@@H](C[NH3+])CC(C)C)n1 ZINC001333767092 1390396949 /nfs/dbraw/zinc/39/69/49/1390396949.db2.gz RIFSKHMTPNQPTB-ZDUSSCGKSA-N 1 0 332.404 3.425 20 5 EGBDRO C[C@H](NC(=O)CC[C@H]([NH3+])c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC001341739373 1390523881 /nfs/dbraw/zinc/52/38/81/1390523881.db2.gz GVXBKVOXFUEASZ-GUYCJALGSA-N 1 0 327.384 3.252 20 5 EGBDRO CC[NH+](CC)C1CCN(C(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC001341982846 1390557483 /nfs/dbraw/zinc/55/74/83/1390557483.db2.gz BGQMKGXXMHQYOX-ROUUACIJSA-N 1 0 345.443 3.031 20 5 EGBDRO CC[C@H](Cc1ccc(F)cc1)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001335412710 1390681505 /nfs/dbraw/zinc/68/15/05/1390681505.db2.gz JUQVSTSBQAWVGP-AEFFLSMTSA-N 1 0 332.375 3.378 20 5 EGBDRO CC(C)(C)[N@@H+]1CCCN(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)CC1 ZINC001350124394 1391416277 /nfs/dbraw/zinc/41/62/77/1391416277.db2.gz JTWBPUNVRIKQFD-UHFFFAOYSA-N 1 0 338.383 3.072 20 5 EGBDRO CC[C@@H](C)[NH+]1CCN(c2ncnc3c(Cl)cc([N+](=O)[O-])cc32)CC1 ZINC001350489945 1391470868 /nfs/dbraw/zinc/47/08/68/1391470868.db2.gz APSWBDJRHVJVSL-LLVKDONJSA-N 1 0 349.822 3.112 20 5 EGBDRO CC/C=C(\C)C(=O)N(C)C1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001752295656 1440167121 /nfs/dbraw/zinc/16/71/21/1440167121.db2.gz UXUBUNKLHCMCIY-GIDUJCDVSA-N 1 0 345.443 3.374 20 5 EGBDRO CC/C=C(/C)C(=O)N(C)C1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001752295657 1440167156 /nfs/dbraw/zinc/16/71/56/1440167156.db2.gz UXUBUNKLHCMCIY-UUASQNMZSA-N 1 0 345.443 3.374 20 5 EGBDRO Cc1ccc(C(=O)N(C)CC[NH2+]Cc2ccccc2[N+](=O)[O-])c(C)c1 ZINC001753260247 1440344093 /nfs/dbraw/zinc/34/40/93/1440344093.db2.gz DDSNBFSKPVOUNW-UHFFFAOYSA-N 1 0 341.411 3.073 20 5 EGBDRO CC/C=C(\C)C(=O)NC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CCCC1 ZINC001753501545 1440423472 /nfs/dbraw/zinc/42/34/72/1440423472.db2.gz PLDCYELXPNGNSC-OVCLIPMQSA-N 1 0 345.443 3.470 20 5 EGBDRO O=C(CCC1CC1)N[C@H]1CC[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001753579731 1440439945 /nfs/dbraw/zinc/43/99/45/1440439945.db2.gz VNOZBWADBKSMPW-QAQDUYKDSA-N 1 0 345.443 3.302 20 5 EGBDRO CCN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)C1CCC=CCC1 ZINC001754081610 1440539391 /nfs/dbraw/zinc/53/93/91/1440539391.db2.gz AUWXSKVETPCARR-UHFFFAOYSA-N 1 0 345.443 3.279 20 5 EGBDRO CN(CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)C(C)(C)C1CCC1 ZINC001754385812 1440593764 /nfs/dbraw/zinc/59/37/64/1440593764.db2.gz DRADFIPDGGKKMJ-UHFFFAOYSA-N 1 0 347.459 3.359 20 5 EGBDRO O=C(NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1)C1(F)CCCCC1 ZINC001754530959 1440622542 /nfs/dbraw/zinc/62/25/42/1440622542.db2.gz JZBTWIVJYYXRMS-UHFFFAOYSA-N 1 0 349.406 3.006 20 5 EGBDRO O=[N+]([O-])c1ccc2ccnc(N3CC[NH+](C4CCCC4)CC3)c2c1 ZINC000413047775 721859304 /nfs/dbraw/zinc/85/93/04/721859304.db2.gz ROIRGPDGMUESAV-UHFFFAOYSA-N 1 0 326.400 3.208 20 5 EGBDRO Cc1ccc(C[C@H](CO)[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)cc1 ZINC000786578240 1126109992 /nfs/dbraw/zinc/10/99/92/1126109992.db2.gz FDADCUQXIDLJSV-OAHLLOKOSA-N 1 0 334.803 3.250 20 5 EGBDRO Cc1cccc(C[C@H](CO)[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)c1 ZINC000786578180 1126110003 /nfs/dbraw/zinc/11/00/03/1126110003.db2.gz BSUWUDCUIBFDIH-OAHLLOKOSA-N 1 0 334.803 3.250 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H](CO)Cc1ccc(F)cc1 ZINC000873113916 1126117479 /nfs/dbraw/zinc/11/74/79/1126117479.db2.gz OLPLNMGZIXJMDN-MRXNPFEDSA-N 1 0 332.375 3.044 20 5 EGBDRO O=[N+]([O-])c1ccn(C2CCN(c3cc[nH+]c4cc(F)ccc43)CC2)n1 ZINC000368471649 168360346 /nfs/dbraw/zinc/36/03/46/168360346.db2.gz SHYWJKIVPRMISX-UHFFFAOYSA-N 1 0 341.346 3.320 20 5 EGBDRO C[NH+](C)CCC1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000174867825 231328672 /nfs/dbraw/zinc/32/86/72/231328672.db2.gz VLVUKONSKXBBDF-UHFFFAOYSA-N 1 0 325.840 3.412 20 5 EGBDRO Cc1c([C@H](C)[NH2+][C@@H](C)C(=O)NCc2ccccc2)cccc1[N+](=O)[O-] ZINC000177944554 232038813 /nfs/dbraw/zinc/03/88/13/232038813.db2.gz QCJRISPMSCTAOJ-GJZGRUSLSA-N 1 0 341.411 3.259 20 5 EGBDRO Cc1csc([C@H]([NH2+]CCOc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000181599075 234248819 /nfs/dbraw/zinc/24/88/19/234248819.db2.gz MPFBGNGRDROHRA-OAHLLOKOSA-N 1 0 333.413 3.479 20 5 EGBDRO Cc1cc(C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)ccc1[N+](=O)[O-] ZINC000181632317 234259811 /nfs/dbraw/zinc/25/98/11/234259811.db2.gz DDHFKRCTYVHFKZ-HOCLYGCPSA-N 1 0 345.443 3.286 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)COc2ccccc2F)cc1[N+](=O)[O-] ZINC000181807239 234330426 /nfs/dbraw/zinc/33/04/26/234330426.db2.gz WWDRYSOZLGAQKV-UKRRQHHQSA-N 1 0 348.374 3.133 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc(Cl)cn2)cc1[N+](=O)[O-] ZINC000181843100 234347154 /nfs/dbraw/zinc/34/71/54/234347154.db2.gz DTNGZEXEZZKYMT-NSHDSACASA-N 1 0 348.790 3.241 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H](Cc2ccccc2)C2CC2)c1 ZINC000183419126 235062620 /nfs/dbraw/zinc/06/26/20/235062620.db2.gz MJRQAXCNEKQJCW-OALUTQOASA-N 1 0 326.396 3.239 20 5 EGBDRO Cc1csc([C@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)C2CC2)n1 ZINC000183509675 235117185 /nfs/dbraw/zinc/11/71/85/235117185.db2.gz BOVDJIMUQJBCHW-OAHLLOKOSA-N 1 0 333.413 3.479 20 5 EGBDRO CC[C@@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CCS1 ZINC000072861966 216320731 /nfs/dbraw/zinc/32/07/31/216320731.db2.gz GWAJCSKNIQCBSB-CQSZACIVSA-N 1 0 337.445 3.059 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCc1cc(Cl)c2c(c1)OCCO2 ZINC000073136984 216354103 /nfs/dbraw/zinc/35/41/03/216354103.db2.gz IDSZSZYIWZVOGE-UHFFFAOYSA-N 1 0 348.786 3.352 20 5 EGBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@@H](c2ccccc2)C2CC2)c1 ZINC000023678828 212388677 /nfs/dbraw/zinc/38/86/77/212388677.db2.gz ZNSVXXABKYUTSF-HKUYNNGSSA-N 1 0 342.395 3.075 20 5 EGBDRO C[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000194006073 240398146 /nfs/dbraw/zinc/39/81/46/240398146.db2.gz JUQMFKYKDGJYJF-GWCFXTLKSA-N 1 0 325.796 3.355 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000194477207 240597757 /nfs/dbraw/zinc/59/77/57/240597757.db2.gz KAZCBQIVLZCRMW-SCLBCKFNSA-N 1 0 333.432 3.144 20 5 EGBDRO Cc1n[nH]cc1CCC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000133033117 223383558 /nfs/dbraw/zinc/38/35/58/223383558.db2.gz FWRHUXNCBYLEQD-QGZVFWFLSA-N 1 0 328.416 3.170 20 5 EGBDRO CC(C)c1ccc([C@H]([NH3+])CNC(=O)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000236767982 242351925 /nfs/dbraw/zinc/35/19/25/242351925.db2.gz TYEXJALRPTZAQH-QGZVFWFLSA-N 1 0 341.411 3.077 20 5 EGBDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000237424935 242633421 /nfs/dbraw/zinc/63/34/21/242633421.db2.gz GBUZRTXHAWHJJC-JSGCOSHPSA-N 1 0 333.432 3.092 20 5 EGBDRO CC[NH+](CC)C[C@@H]1CCN(c2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000078559684 217077056 /nfs/dbraw/zinc/07/70/56/217077056.db2.gz XWFPGAJOYBPXHD-AWEZNQCLSA-N 1 0 328.416 3.311 20 5 EGBDRO O=C(CCC[NH2+]Cc1ccccc1[N+](=O)[O-])N1Cc2ccccc2C1 ZINC000111405927 220151978 /nfs/dbraw/zinc/15/19/78/220151978.db2.gz XEDVZUOSBHCWES-UHFFFAOYSA-N 1 0 339.395 3.007 20 5 EGBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000080771582 217330779 /nfs/dbraw/zinc/33/07/79/217330779.db2.gz WWMWXDGZUBYOJN-YGRLFVJLSA-N 1 0 340.811 3.052 20 5 EGBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000081364346 217389312 /nfs/dbraw/zinc/38/93/12/217389312.db2.gz FNIQEKMGLDZRDA-GFCCVEGCSA-N 1 0 339.823 3.052 20 5 EGBDRO C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C[C@H]1CCCCO1 ZINC000264175520 246141007 /nfs/dbraw/zinc/14/10/07/246141007.db2.gz JAQIMHIXVPTNRW-MRXNPFEDSA-N 1 0 345.399 3.293 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CC[C@H](C[NH+]3CCCCC3)C2)c2ccncc21 ZINC000266247420 248200382 /nfs/dbraw/zinc/20/03/82/248200382.db2.gz MNTCYXFRZQGJQZ-OAHLLOKOSA-N 1 0 340.427 3.455 20 5 EGBDRO COc1ccc(OCC[N@H+](C)[C@@H](C)c2ccncc2)c([N+](=O)[O-])c1 ZINC000091989462 218100386 /nfs/dbraw/zinc/10/03/86/218100386.db2.gz HLPNIPHSRZTRKR-ZDUSSCGKSA-N 1 0 331.372 3.070 20 5 EGBDRO CC[NH+](CC)C[C@@H]1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000092658470 218157956 /nfs/dbraw/zinc/15/79/56/218157956.db2.gz MJQSPFZDTRUWMO-LBPRGKRZSA-N 1 0 343.374 3.364 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000092759086 218165056 /nfs/dbraw/zinc/16/50/56/218165056.db2.gz RDSWNLREQCKECW-HZPDHXFCSA-N 1 0 345.443 3.076 20 5 EGBDRO CNC(=O)c1cccc(CC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000095423014 218365382 /nfs/dbraw/zinc/36/53/82/218365382.db2.gz VUSZDHXBTQCSJQ-AWEZNQCLSA-N 1 0 341.411 3.156 20 5 EGBDRO Cc1c([C@H](C)[NH2+]CCS(=O)(=O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000268816219 252266693 /nfs/dbraw/zinc/26/66/93/252266693.db2.gz PTWNSBLADDUALT-AWEZNQCLSA-N 1 0 348.424 3.028 20 5 EGBDRO CC(C)n1cnnc1[C@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000118860855 221198976 /nfs/dbraw/zinc/19/89/76/221198976.db2.gz KIYKCCKIRDKIAH-INIZCTEOSA-N 1 0 343.431 3.189 20 5 EGBDRO CC[NH+](CC)CCCCNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000347916338 141216218 /nfs/dbraw/zinc/21/62/18/141216218.db2.gz BGTOEMCIGGTJBQ-CYBMUJFWSA-N 1 0 339.411 3.076 20 5 EGBDRO C[C@H](C[NH+]1CCCCCC1)NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000356250071 141328365 /nfs/dbraw/zinc/32/83/65/141328365.db2.gz HTDHMQBTXQTGCS-CYBMUJFWSA-N 1 0 344.415 3.070 20 5 EGBDRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000172423915 144020694 /nfs/dbraw/zinc/02/06/94/144020694.db2.gz ZXORWBGZHZAKSI-MDZDMXLPSA-N 1 0 343.427 3.085 20 5 EGBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)c1 ZINC000186599639 144138841 /nfs/dbraw/zinc/13/88/41/144138841.db2.gz RFQVNBIPTRPJOR-IBGZPJMESA-N 1 0 340.379 3.105 20 5 EGBDRO O=[N+]([O-])c1cc(C[NH2+]CCN2CCC2)ccc1Oc1ccc(F)cc1 ZINC000344849462 144230842 /nfs/dbraw/zinc/23/08/42/144230842.db2.gz RCZOGSLGKJZHMJ-UHFFFAOYSA-N 1 0 345.374 3.322 20 5 EGBDRO CN(c1ccccc1)c1ccc(C[NH2+][C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000344851402 144231487 /nfs/dbraw/zinc/23/14/87/144231487.db2.gz UNWAYDFYGVHRMU-OAHLLOKOSA-N 1 0 327.384 3.241 20 5 EGBDRO C[C@H]([NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)c1ccccc1 ZINC000341126183 155176369 /nfs/dbraw/zinc/17/63/69/155176369.db2.gz NIRMSFGQIWESST-ZDUSSCGKSA-N 1 0 341.367 3.244 20 5 EGBDRO C[N@H+](CCc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2)c1)C1CC1 ZINC000341227520 155214065 /nfs/dbraw/zinc/21/40/65/155214065.db2.gz IKXXLKCNVDSUCB-UHFFFAOYSA-N 1 0 339.395 3.484 20 5 EGBDRO CCC[N@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)CC1CC1 ZINC000117342008 152094056 /nfs/dbraw/zinc/09/40/56/152094056.db2.gz ASFXKEVPPNYJHQ-UHFFFAOYSA-N 1 0 333.388 3.015 20 5 EGBDRO C[C@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)C[C@H](c2ccsc2)O1 ZINC000120609429 152287781 /nfs/dbraw/zinc/28/77/81/152287781.db2.gz VHZZUUGADKORSJ-SUMWQHHRSA-N 1 0 348.424 3.497 20 5 EGBDRO COc1ccc(-c2ccc(C[N@@H+]3CC[C@@H]([C@@H](C)O)C3)o2)c([N+](=O)[O-])c1 ZINC000305840310 154135310 /nfs/dbraw/zinc/13/53/10/154135310.db2.gz GXZODDNJABITKX-CHWSQXEVSA-N 1 0 346.383 3.066 20 5 EGBDRO COc1ccc(C[NH2+][C@H]2CCCC[C@@H]2OC(F)F)cc1[N+](=O)[O-] ZINC000337305062 154273175 /nfs/dbraw/zinc/27/31/75/154273175.db2.gz QZRZINHFZTZOJG-AAEUAGOBSA-N 1 0 330.331 3.243 20 5 EGBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1cc(F)cc(F)c1 ZINC000337477003 154374439 /nfs/dbraw/zinc/37/44/39/154374439.db2.gz SPOYDLKWBSFGHY-UHFFFAOYSA-N 1 0 349.337 3.334 20 5 EGBDRO CC(=O)NC1CCC([NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000337732678 154514882 /nfs/dbraw/zinc/51/48/82/154514882.db2.gz GMEQMZIRUWKMDB-UHFFFAOYSA-N 1 0 333.432 3.255 20 5 EGBDRO CC(C)[NH+]1CCC(N(C)C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC000342915945 155578125 /nfs/dbraw/zinc/57/81/25/155578125.db2.gz SCPYURBYLPQWLT-UHFFFAOYSA-N 1 0 344.415 3.021 20 5 EGBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000365651236 157205345 /nfs/dbraw/zinc/20/53/45/157205345.db2.gz BGZHDAWZOYBOLT-CYBMUJFWSA-N 1 0 339.823 3.222 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CCc3ccccn3)cs2)c1 ZINC000113312076 162209127 /nfs/dbraw/zinc/20/91/27/162209127.db2.gz AQLBHFOSKBRKHM-UHFFFAOYSA-N 1 0 340.408 3.446 20 5 EGBDRO O=[N+]([O-])c1ccc(C[N@@H+](CCCO)[C@@H]2CCc3ccccc32)cc1 ZINC000114193759 162224029 /nfs/dbraw/zinc/22/40/29/162224029.db2.gz SFOXVRRAZSWLID-LJQANCHMSA-N 1 0 326.396 3.467 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2c[nH]nc2-c2ccccc2F)cc1 ZINC000151932798 162609486 /nfs/dbraw/zinc/60/94/86/162609486.db2.gz PSWVSQGLBJLAKW-UHFFFAOYSA-N 1 0 340.358 3.456 20 5 EGBDRO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000248567844 163014564 /nfs/dbraw/zinc/01/45/64/163014564.db2.gz POTWZCYKAHGTQG-CHWSQXEVSA-N 1 0 335.404 3.052 20 5 EGBDRO Cc1ccc(C[N@@H+](C)[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000303435797 163066567 /nfs/dbraw/zinc/06/65/67/163066567.db2.gz XVTROQLPMXKWRD-GOSISDBHSA-N 1 0 339.395 3.141 20 5 EGBDRO CO[C@]1(C)C[C@H]([N@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])C1(C)C ZINC000337258169 163182966 /nfs/dbraw/zinc/18/29/66/163182966.db2.gz UUQNSHVMGDFQGM-MAUKXSAKSA-N 1 0 349.431 3.059 20 5 EGBDRO COc1ccccc1OCC[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338349752 163219839 /nfs/dbraw/zinc/21/98/39/163219839.db2.gz HMECVTHFJGGXKR-UHFFFAOYSA-N 1 0 330.384 3.157 20 5 EGBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)CCC[NH+]1CCCC1 ZINC000343773314 164031563 /nfs/dbraw/zinc/03/15/63/164031563.db2.gz BMWWVDBJJWFTLH-QGZVFWFLSA-N 1 0 347.459 3.108 20 5 EGBDRO CCC[N@@H+]1CCC[C@H]1CNc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000343980713 164076611 /nfs/dbraw/zinc/07/66/11/164076611.db2.gz UHKIKOWHZHUFJX-JTQLQIEISA-N 1 0 332.326 3.295 20 5 EGBDRO CC[C@]1(C)CCN([C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000344213115 164127851 /nfs/dbraw/zinc/12/78/51/164127851.db2.gz DMYDAKDDVKPWDG-SJKOYZFVSA-N 1 0 335.404 3.052 20 5 EGBDRO COCC[C@@H](Cc1ccco1)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000344313303 164154052 /nfs/dbraw/zinc/15/40/52/164154052.db2.gz YLKJPUDYZRSWIU-RRGWEWPQSA-N 1 0 330.384 3.438 20 5 EGBDRO COc1ccc(-c2ccc(C[NH2+][C@H](C)[C@@H]3CCOC3)o2)c([N+](=O)[O-])c1 ZINC000344597668 164196013 /nfs/dbraw/zinc/19/60/13/164196013.db2.gz CYPLYZQFIIISHW-CHWSQXEVSA-N 1 0 346.383 3.378 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000345921087 164295524 /nfs/dbraw/zinc/29/55/24/164295524.db2.gz UXSDTMZMWLYABT-UHFFFAOYSA-N 1 0 343.383 3.096 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000347336755 164483069 /nfs/dbraw/zinc/48/30/69/164483069.db2.gz LKOXLPHIYVMXDC-XBNGYDHASA-N 1 0 341.415 3.002 20 5 EGBDRO CCC[C@@H]([NH2+]C(C)C)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000352056845 165212945 /nfs/dbraw/zinc/21/29/45/165212945.db2.gz HLOVSIWOQQSXGS-QGZVFWFLSA-N 1 0 333.432 3.253 20 5 EGBDRO C[NH+](C)[C@H](CNc1nc2ccccc2cc1[N+](=O)[O-])c1ccsc1 ZINC000352358966 165361628 /nfs/dbraw/zinc/36/16/28/165361628.db2.gz AKSQXKKUZLIGMU-MRXNPFEDSA-N 1 0 342.424 3.341 20 5 EGBDRO CCOc1ccc(NC(=O)C[N@H+](CC)CCC2CC2)c([N+](=O)[O-])c1 ZINC000355062216 166097134 /nfs/dbraw/zinc/09/71/34/166097134.db2.gz QDDMDCJMRYANIQ-UHFFFAOYSA-N 1 0 335.404 3.054 20 5 EGBDRO Cn1cc(C[NH2+]CC2(C(F)F)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000355146022 166117920 /nfs/dbraw/zinc/11/79/20/166117920.db2.gz GABLUIWIFWQJQV-UHFFFAOYSA-N 1 0 336.342 3.130 20 5 EGBDRO COc1cccc(NCC[N@@H+]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000355442448 166201112 /nfs/dbraw/zinc/20/11/12/166201112.db2.gz KJDLYTRJGDUDDD-UHFFFAOYSA-N 1 0 327.384 3.074 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2nc(-c3ccc(C[NH+]4CCCC4)cc3)no2)[nH]1 ZINC000355640440 166268404 /nfs/dbraw/zinc/26/84/04/166268404.db2.gz UBYDFPJNXUHXLI-UHFFFAOYSA-N 1 0 339.355 3.236 20 5 EGBDRO CSC1(CNc2ccc([N+](=O)[O-])c3cnccc23)CC[NH+](C)CC1 ZINC000357551944 166708562 /nfs/dbraw/zinc/70/85/62/166708562.db2.gz UPHBAESJKDQTEU-UHFFFAOYSA-N 1 0 346.456 3.382 20 5 EGBDRO Cn1cc2c(n1)CCC[C@@H]2[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000358963226 167020773 /nfs/dbraw/zinc/02/07/73/167020773.db2.gz JBUCGDPJROBGJF-KRWDZBQOSA-N 1 0 328.416 3.318 20 5 EGBDRO CCCN(CC[NH+](CC)CC)C(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000359467132 167164834 /nfs/dbraw/zinc/16/48/34/167164834.db2.gz YZYTVWCCHUOHKX-UHFFFAOYSA-N 1 0 335.448 3.026 20 5 EGBDRO Cc1c(C[NH2+]Cc2cnc3ccc(Cl)cn23)cccc1[N+](=O)[O-] ZINC000359792793 167233833 /nfs/dbraw/zinc/23/38/33/167233833.db2.gz ANQCKKPADLJQPC-UHFFFAOYSA-N 1 0 330.775 3.494 20 5 EGBDRO O=C(c1cccc([N+](=O)[O-])c1)N(CC[NH+]1CCCCCC1)C1CCC1 ZINC000359818069 167240177 /nfs/dbraw/zinc/24/01/77/167240177.db2.gz IMFIFZCZIVVUNG-UHFFFAOYSA-N 1 0 345.443 3.466 20 5 EGBDRO CC(C)c1cnc(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)s1 ZINC000365116375 168024260 /nfs/dbraw/zinc/02/42/60/168024260.db2.gz JKXQXQLEGAHXND-UHFFFAOYSA-N 1 0 335.433 3.208 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC2(CCC2)CC1 ZINC000367555575 168242011 /nfs/dbraw/zinc/24/20/11/168242011.db2.gz WTCRCQNQRLBILR-UHFFFAOYSA-N 1 0 347.415 3.198 20 5 EGBDRO NC(=O)C1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000158603944 225051604 /nfs/dbraw/zinc/05/16/04/225051604.db2.gz ANTQMWOQWMBCTK-UHFFFAOYSA-N 1 0 345.424 3.021 20 5 EGBDRO Cc1c(C(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)cccc1[N+](=O)[O-] ZINC000163642551 226001184 /nfs/dbraw/zinc/00/11/84/226001184.db2.gz USYOCOOPUPEHMY-HNNXBMFYSA-N 1 0 333.432 3.001 20 5 EGBDRO CCc1ccc(C(=O)NC[C@H](c2cccs2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000174009572 265017627 /nfs/dbraw/zinc/01/76/27/265017627.db2.gz XNPLYKSRSMWPBN-OAHLLOKOSA-N 1 0 347.440 3.251 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H](C)C1CCCCC1 ZINC000174142916 265027833 /nfs/dbraw/zinc/02/78/33/265027833.db2.gz RJVBBVQFJKABOT-STQMWFEESA-N 1 0 349.431 3.489 20 5 EGBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@@H](Cc2ccccc2)c2ccccc2)n1 ZINC000176196238 265163203 /nfs/dbraw/zinc/16/32/03/265163203.db2.gz IPOQDLUPUXOMMN-SFHVURJKSA-N 1 0 336.395 3.365 20 5 EGBDRO COc1ccc(NC(=O)[C@@H](C)[N@H+]2C[C@@H]3CCCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000177534772 265260155 /nfs/dbraw/zinc/26/01/55/265260155.db2.gz XRSGRPATFAYQGX-MCIONIFRSA-N 1 0 347.415 3.052 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c(Br)c1 ZINC000221427512 266195947 /nfs/dbraw/zinc/19/59/47/266195947.db2.gz YPEQVIPLUQNWJV-KGLIPLIRSA-N 1 0 340.221 3.396 20 5 EGBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000250210913 266262913 /nfs/dbraw/zinc/26/29/13/266262913.db2.gz OFEOUUCNOYUBFY-GDBMZVCRSA-N 1 0 339.395 3.411 20 5 EGBDRO C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000269741429 266351327 /nfs/dbraw/zinc/35/13/27/266351327.db2.gz XCYBKFXIDGCKPK-CXAGYDPISA-N 1 0 331.416 3.179 20 5 EGBDRO C[C@](O)(C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000270231884 266438899 /nfs/dbraw/zinc/43/88/99/266438899.db2.gz AIIOQUQGBBXTCD-INIZCTEOSA-N 1 0 338.766 3.385 20 5 EGBDRO Cc1cc(C[NH+](C)C)cc(NC(=O)CNc2ccccc2[N+](=O)[O-])c1 ZINC000270377899 266504497 /nfs/dbraw/zinc/50/44/97/266504497.db2.gz MLEYULFQSHHFQI-UHFFFAOYSA-N 1 0 342.399 3.015 20 5 EGBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cccc(N2CCOCC2)c1 ZINC000271502774 266674813 /nfs/dbraw/zinc/67/48/13/266674813.db2.gz QVDFKHSRIQYXTB-OAHLLOKOSA-N 1 0 341.411 3.282 20 5 EGBDRO C[C@H](CCNC(=O)Nc1ccc([N+](=O)[O-])cc1F)[NH+]1CCCCC1 ZINC000273451151 267041599 /nfs/dbraw/zinc/04/15/99/267041599.db2.gz LGGDTJDHZGIPTR-GFCCVEGCSA-N 1 0 338.383 3.120 20 5 EGBDRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000274264413 267207389 /nfs/dbraw/zinc/20/73/89/267207389.db2.gz LDSUXJRAWHWVQV-LSDHHAIUSA-N 1 0 349.431 3.173 20 5 EGBDRO Cc1nccn1CCC[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000274362497 267224913 /nfs/dbraw/zinc/22/49/13/267224913.db2.gz NVGSZGFTPFRRKH-WMZOPIPTSA-N 1 0 342.443 3.491 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000275528050 267376059 /nfs/dbraw/zinc/37/60/59/267376059.db2.gz MBMFVLYAYVRDTQ-CYBMUJFWSA-N 1 0 334.420 3.097 20 5 EGBDRO O=C(CC[NH2+]C1(c2ccccc2)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000275621641 267392461 /nfs/dbraw/zinc/39/24/61/267392461.db2.gz ORQSOQITWTZTOA-UHFFFAOYSA-N 1 0 343.358 3.341 20 5 EGBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 ZINC000277088384 267692655 /nfs/dbraw/zinc/69/26/55/267692655.db2.gz BEAAULDWRJBIBJ-ZDUSSCGKSA-N 1 0 347.440 3.366 20 5 EGBDRO COC[C@@](C)([NH3+])CNc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000265069814 274046919 /nfs/dbraw/zinc/04/69/19/274046919.db2.gz VZFMFYJHUXDZOF-NSHDSACASA-N 1 0 341.717 3.043 20 5 EGBDRO C[C@@H]1CC[C@H]([NH2+][C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)[C@H](C)C1 ZINC000360328943 274318658 /nfs/dbraw/zinc/31/86/58/274318658.db2.gz IKTULMRUYOFXBN-OMNBBPDLSA-N 1 0 331.416 3.114 20 5 EGBDRO Cc1c(C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000045830946 275134801 /nfs/dbraw/zinc/13/48/01/275134801.db2.gz MHLLDDDJXGBURJ-KRWDZBQOSA-N 1 0 333.432 3.144 20 5 EGBDRO CCC[C@@]1(COC)CCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000194944863 275230852 /nfs/dbraw/zinc/23/08/52/275230852.db2.gz OOGAKNRLNWBUGS-SFHVURJKSA-N 1 0 349.431 3.123 20 5 EGBDRO CCC[C@]1(COC)CCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000194944850 275230953 /nfs/dbraw/zinc/23/09/53/275230953.db2.gz OOGAKNRLNWBUGS-GOSISDBHSA-N 1 0 349.431 3.123 20 5 EGBDRO CC[C@@]1(CO)CCCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000275046129 275251306 /nfs/dbraw/zinc/25/13/06/275251306.db2.gz RSPBRHRMIGCGJO-GOSISDBHSA-N 1 0 329.400 3.440 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCc1cn3c(n1)SCC3)CCC2 ZINC000278621327 275259952 /nfs/dbraw/zinc/25/99/52/275259952.db2.gz GJNWUTIJOXOYHH-MRXNPFEDSA-N 1 0 344.440 3.107 20 5 EGBDRO COc1ccccc1C[C@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278745368 275271045 /nfs/dbraw/zinc/27/10/45/275271045.db2.gz RNAVPMLYWBROBO-LBPRGKRZSA-N 1 0 340.383 3.201 20 5 EGBDRO CCC[C@H]([NH2+]C[C@H]1CCc2nccn2C1)c1cccc([N+](=O)[O-])c1 ZINC000278941324 275289687 /nfs/dbraw/zinc/28/96/87/275289687.db2.gz KDZMGACJKADKKL-PBHICJAKSA-N 1 0 328.416 3.485 20 5 EGBDRO CC(C)(C)[S@](=O)CC[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000278965991 275291871 /nfs/dbraw/zinc/29/18/71/275291871.db2.gz BPYWHFGXJVPRAU-IQMFZBJNSA-N 1 0 338.473 3.454 20 5 EGBDRO C[C@H]([NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C(=O)NC(C)(C)C ZINC000279176834 275310143 /nfs/dbraw/zinc/31/01/43/275310143.db2.gz VELZXJBSPFMZAJ-NHYWBVRUSA-N 1 0 333.432 3.210 20 5 EGBDRO C[C@H]1C[C@H](NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC[N@@H+]1C ZINC000279616037 275344173 /nfs/dbraw/zinc/34/41/73/275344173.db2.gz XTVOJSBKMPCBPV-GXFFZTMASA-N 1 0 331.338 3.186 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1C[C@@H](C)OC2(CCOCC2)C1 ZINC000279849301 275365688 /nfs/dbraw/zinc/36/56/88/275365688.db2.gz RZLKXXJSZWGYKT-HUUCEWRRSA-N 1 0 334.416 3.234 20 5 EGBDRO CC(=O)N1CCC[C@H](C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000281283575 275536402 /nfs/dbraw/zinc/53/64/02/275536402.db2.gz XRABHNKKDLBAEU-RDTXWAMCSA-N 1 0 345.443 3.165 20 5 EGBDRO C[NH+](C)[C@H](CNc1ncnc2sc([N+](=O)[O-])cc21)c1ccsc1 ZINC000285998476 275938884 /nfs/dbraw/zinc/93/88/84/275938884.db2.gz DESTUMAQUXBAIT-LLVKDONJSA-N 1 0 349.441 3.376 20 5 EGBDRO O=[N+]([O-])c1cc2c(ncnc2N2CCC[C@@H]([NH+]3CCCC3)CC2)s1 ZINC000287253681 276101038 /nfs/dbraw/zinc/10/10/38/276101038.db2.gz KGTUKWVHUHRZJQ-GFCCVEGCSA-N 1 0 347.444 3.054 20 5 EGBDRO CC[N@@H+]1CC[C@@H](N(C)c2nc3ccccc3cc2[N+](=O)[O-])C[C@@H]1C ZINC000352357826 276214512 /nfs/dbraw/zinc/21/45/12/276214512.db2.gz UNJKLWBVVXNUKM-DZGCQCFKSA-N 1 0 328.416 3.452 20 5 EGBDRO CCc1nn(C)c(SCC[N@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000288448320 276215142 /nfs/dbraw/zinc/21/51/42/276215142.db2.gz OTUVZDSBWCBBFG-UHFFFAOYSA-N 1 0 334.445 3.115 20 5 EGBDRO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@](CO)(Cc3ccc(F)cc3)C2)cc1 ZINC000288672066 276240479 /nfs/dbraw/zinc/24/04/79/276240479.db2.gz CITMAVUUXMLWOE-IBGZPJMESA-N 1 0 344.386 3.161 20 5 EGBDRO COCCOCc1ccc(CN(C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000288969952 276273019 /nfs/dbraw/zinc/27/30/19/276273019.db2.gz BOGQRQNUBIOIEL-UHFFFAOYSA-N 1 0 344.411 3.390 20 5 EGBDRO CCN(CCC[NH+](C)C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000289464594 276343174 /nfs/dbraw/zinc/34/31/74/276343174.db2.gz OTLNBPRYOFORAS-UHFFFAOYSA-N 1 0 348.472 3.492 20 5 EGBDRO COCc1nc(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)cs1 ZINC000289789471 276394890 /nfs/dbraw/zinc/39/48/90/276394890.db2.gz NBUGDGUSXXLOPM-HNNXBMFYSA-N 1 0 347.440 3.309 20 5 EGBDRO CCOCC(C)(C)[NH2+]Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000292736830 276865850 /nfs/dbraw/zinc/86/58/50/276865850.db2.gz ACAMISHINXYTKL-UHFFFAOYSA-N 1 0 348.346 3.110 20 5 EGBDRO O=[N+]([O-])c1cc2c(ncnc2NCCCCC[NH+]2CCCC2)s1 ZINC000292793728 276876074 /nfs/dbraw/zinc/87/60/74/276876074.db2.gz MSCBTDQSHSIUSQ-UHFFFAOYSA-N 1 0 335.433 3.278 20 5 EGBDRO CC(C)c1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1[N+](=O)[O-] ZINC000187808551 278027363 /nfs/dbraw/zinc/02/73/63/278027363.db2.gz DWLJYBPRPHKCKZ-CABCVRRESA-N 1 0 331.416 3.027 20 5 EGBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000252216253 278259412 /nfs/dbraw/zinc/25/94/12/278259412.db2.gz XTSAXZMQGWDFGC-RYUDHWBXSA-N 1 0 339.823 3.098 20 5 EGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000245593218 278310768 /nfs/dbraw/zinc/31/07/68/278310768.db2.gz GTZVNCFJIDRWBD-SIIHOXLZSA-N 1 0 343.427 3.131 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000352802142 279728768 /nfs/dbraw/zinc/72/87/68/279728768.db2.gz LQOQDLNWOXJGFS-MAUKXSAKSA-N 1 0 347.459 3.441 20 5 EGBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000413528278 309035927 /nfs/dbraw/zinc/03/59/27/309035927.db2.gz DAIDUMBHXUGRAF-HNNXBMFYSA-N 1 0 326.400 3.009 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@H]1CCc2ccccc21 ZINC000072559044 307380090 /nfs/dbraw/zinc/38/00/90/307380090.db2.gz GMTJNLYMYRQJQZ-SFHVURJKSA-N 1 0 339.395 3.461 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCC(=O)NCc1ccccc1 ZINC000129247535 307612085 /nfs/dbraw/zinc/61/20/85/307612085.db2.gz VZJUEMGRYZYSKW-HNNXBMFYSA-N 1 0 341.411 3.260 20 5 EGBDRO COc1ccc([C@@H](CO)C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000414181759 309065234 /nfs/dbraw/zinc/06/52/34/309065234.db2.gz MTVWXGMXJHKAIN-RHSMWYFYSA-N 1 0 344.411 3.339 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC1(C(=O)N(C)C)CCCC1 ZINC000165106898 307928956 /nfs/dbraw/zinc/92/89/56/307928956.db2.gz VZJQJNJAWYOFEY-AWEZNQCLSA-N 1 0 333.432 3.202 20 5 EGBDRO CC[N@H+](C)C[C@@H]1CCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000292917382 308079769 /nfs/dbraw/zinc/07/97/69/308079769.db2.gz XPLGVMAQXUMOME-LBPRGKRZSA-N 1 0 345.365 3.387 20 5 EGBDRO CC(C)([NH2+]C[C@H](O)Cc1ccc(F)cc1)c1ccccc1[N+](=O)[O-] ZINC000293447057 308131707 /nfs/dbraw/zinc/13/17/07/308131707.db2.gz CGULICDGOBAHAG-OAHLLOKOSA-N 1 0 332.375 3.162 20 5 EGBDRO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C[C@@H]1CCC[C@@H]1O ZINC000293937499 308175727 /nfs/dbraw/zinc/17/57/27/308175727.db2.gz ZKLUNAFPTNQDLJ-HZMBPMFUSA-N 1 0 332.322 3.206 20 5 EGBDRO CCc1ccc([C@@H](O)C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000293988203 308180478 /nfs/dbraw/zinc/18/04/78/308180478.db2.gz BUKPDRBQBUHNHA-XIKOKIGWSA-N 1 0 329.400 3.124 20 5 EGBDRO CSc1ccc([C@H](CNc2c([N+](=O)[O-])c(C)nn2C)[NH+](C)C)cc1 ZINC000294082906 308188662 /nfs/dbraw/zinc/18/86/62/308188662.db2.gz NVYLCFXSJFWARB-AWEZNQCLSA-N 1 0 349.460 3.073 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](CO)c2ccc(F)cc2)c(Cl)c1 ZINC000414536547 309087227 /nfs/dbraw/zinc/08/72/27/309087227.db2.gz XULPECNJVXPDNX-ZDUSSCGKSA-N 1 0 338.766 3.253 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC000294681394 308245394 /nfs/dbraw/zinc/24/53/94/308245394.db2.gz BPKGVXIUUXXLOP-DZGCQCFKSA-N 1 0 341.415 3.091 20 5 EGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1(CO)C2CC3CC(C2)CC1C3 ZINC000414559546 309089219 /nfs/dbraw/zinc/08/92/19/309089219.db2.gz QAGQQQUYTQOBON-YEVHIBAUSA-N 1 0 344.455 3.303 20 5 EGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000295079375 308288976 /nfs/dbraw/zinc/28/89/76/308288976.db2.gz BAFMRXGOAFGZJI-UONOGXRCSA-N 1 0 333.432 3.269 20 5 EGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@H](O)Cc2cccc(F)c2)c1 ZINC000295155318 308297369 /nfs/dbraw/zinc/29/73/69/308297369.db2.gz RPPODYKHZNZFAK-OAHLLOKOSA-N 1 0 338.766 3.081 20 5 EGBDRO C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000295179745 308300134 /nfs/dbraw/zinc/30/01/34/308300134.db2.gz VMKCVJQDRRAMLN-LLVKDONJSA-N 1 0 343.449 3.439 20 5 EGBDRO CC(C)C[C@@H]([NH3+])c1noc(-c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)n1 ZINC000414623027 309092116 /nfs/dbraw/zinc/09/21/16/309092116.db2.gz NEIFDBANPPWOOG-GFCCVEGCSA-N 1 0 342.359 3.081 20 5 EGBDRO CC(C)C[C@H]([NH3+])c1noc(C(F)(F)c2ccc([N+](=O)[O-])cc2)n1 ZINC000414627069 309092352 /nfs/dbraw/zinc/09/23/52/309092352.db2.gz YROXAEYZMTXORV-NSHDSACASA-N 1 0 326.303 3.164 20 5 EGBDRO O=[N+]([O-])c1ccc2c(ccnc2N2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000297086108 308497623 /nfs/dbraw/zinc/49/76/23/308497623.db2.gz KFEUYSMLKXIJKC-AWEZNQCLSA-N 1 0 326.400 3.065 20 5 EGBDRO Cc1nc(NCC(C)(C)[NH2+][C@H](C)c2ccccc2)ncc1[N+](=O)[O-] ZINC000297219394 308511299 /nfs/dbraw/zinc/51/12/99/308511299.db2.gz SPROVMAVCBVPGT-GFCCVEGCSA-N 1 0 329.404 3.235 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)Cc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000297438222 308533789 /nfs/dbraw/zinc/53/37/89/308533789.db2.gz VXJLBJMXMVHGIO-DYVFJYSZSA-N 1 0 332.375 3.297 20 5 EGBDRO [NH3+]C[C@H](NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)C1CC1 ZINC000414813519 309103264 /nfs/dbraw/zinc/10/32/64/309103264.db2.gz YLAUAEJYVMNVDU-INIZCTEOSA-N 1 0 345.374 3.353 20 5 EGBDRO COc1cccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000298857068 308644726 /nfs/dbraw/zinc/64/47/26/308644726.db2.gz FNEKRBINHANAFB-STQMWFEESA-N 1 0 343.383 3.281 20 5 EGBDRO CN(CC1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000301456864 308701082 /nfs/dbraw/zinc/70/10/82/308701082.db2.gz XCTAMOFEOQVHGT-UHFFFAOYSA-N 1 0 331.338 3.392 20 5 EGBDRO C[C@@H]1C[NH+](CCCCNc2cccc(F)c2[N+](=O)[O-])C[C@@H](C)O1 ZINC000301724690 308712682 /nfs/dbraw/zinc/71/26/82/308712682.db2.gz PABFKXWWWDQYJB-CHWSQXEVSA-N 1 0 325.384 3.035 20 5 EGBDRO C[NH+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C1 ZINC000301849813 308718264 /nfs/dbraw/zinc/71/82/64/308718264.db2.gz DQEJSECHSZTNDV-CQSZACIVSA-N 1 0 326.400 3.045 20 5 EGBDRO Cc1c(C[NH2+][C@@H](C)CC(=O)Nc2ccccc2)cccc1[N+](=O)[O-] ZINC000326371702 308770749 /nfs/dbraw/zinc/77/07/49/308770749.db2.gz ZKWSDQFARQCQGW-ZDUSSCGKSA-N 1 0 327.384 3.410 20 5 EGBDRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000331713315 308815179 /nfs/dbraw/zinc/81/51/79/308815179.db2.gz MAXPFGJXXNSUGO-LAQFHYBYSA-N 1 0 347.415 3.307 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000332409410 308836717 /nfs/dbraw/zinc/83/67/17/308836717.db2.gz NANXMOULGGHNJJ-GJZGRUSLSA-N 1 0 346.431 3.065 20 5 EGBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])cc2F)C1 ZINC000413064237 309014241 /nfs/dbraw/zinc/01/42/41/309014241.db2.gz BTJXNAYJMFEKKE-OCCSQVGLSA-N 1 0 330.363 3.376 20 5 EGBDRO C[C@@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2C(F)(F)F)C[N@@H+]1C1CC1 ZINC000413185709 309020176 /nfs/dbraw/zinc/02/01/76/309020176.db2.gz NQNGFTDBHDWOOD-BDAKNGLRSA-N 1 0 330.310 3.046 20 5 EGBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(c2nccc3ccc([N+](=O)[O-])cc32)C[C@@H](C)C1 ZINC000413303620 309025902 /nfs/dbraw/zinc/02/59/02/309025902.db2.gz OEXPDRTVBGZEQY-PMUMKWKESA-N 1 0 340.427 3.310 20 5 EGBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(c2ccc([N+](=O)[O-])c3ncccc23)C[C@@H](C)C1 ZINC000413306189 309026059 /nfs/dbraw/zinc/02/60/59/309026059.db2.gz UTWQSJOKOLCQCV-GLJUWKHASA-N 1 0 340.427 3.310 20 5 EGBDRO COc1ccc(C[NH2+][C@H]2CCCc3cc(N)ccc32)cc1[N+](=O)[O-] ZINC000414916397 309109043 /nfs/dbraw/zinc/10/90/43/309109043.db2.gz OGOWWEMNKHYCMB-INIZCTEOSA-N 1 0 327.384 3.353 20 5 EGBDRO O=[N+]([O-])c1cc(CNC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)cs1 ZINC000415014473 309114467 /nfs/dbraw/zinc/11/44/67/309114467.db2.gz ZTGIOUJLTATWSU-GOEBONIOSA-N 1 0 349.431 3.278 20 5 EGBDRO C[C@](O)(C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21)C(F)(F)F ZINC000417313419 309201213 /nfs/dbraw/zinc/20/12/13/309201213.db2.gz VYAQVDBJVPIKPU-KGLIPLIRSA-N 1 0 332.322 3.265 20 5 EGBDRO CN(CC[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21)CC(F)(F)F ZINC000417310785 309201217 /nfs/dbraw/zinc/20/12/17/309201217.db2.gz KVGXTZCPJHDRCB-OAHLLOKOSA-N 1 0 345.365 3.446 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@H]1CCn3ccnc3C1)CCCC2 ZINC000417342324 309202332 /nfs/dbraw/zinc/20/23/32/309202332.db2.gz MMVACXRRAVBADU-YOEHRIQHSA-N 1 0 326.400 3.163 20 5 EGBDRO CC[C@@H]([NH2+]CC(C)(C)C1(O)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000417351113 309202577 /nfs/dbraw/zinc/20/25/77/309202577.db2.gz BCCHJLCKQWFCRT-MRXNPFEDSA-N 1 0 336.432 3.203 20 5 EGBDRO Cc1ccc([C@H](C)NC(=O)NC[C@H]2[NH2+]CCCC2(C)C)cc1[N+](=O)[O-] ZINC000417820176 309223945 /nfs/dbraw/zinc/22/39/45/309223945.db2.gz CMRRMRWAQIQMSV-XJKSGUPXSA-N 1 0 348.447 3.042 20 5 EGBDRO O=C(CC[N@@H+]1CCSC[C@H]1C1CCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000419363484 309265242 /nfs/dbraw/zinc/26/52/42/309265242.db2.gz CUFROSNQZJHQEU-INIZCTEOSA-N 1 0 349.456 3.141 20 5 EGBDRO Cc1[nH+]c2cc(NCc3cccc([N+](=O)[O-])c3)ccc2n1[C@@H](C)CO ZINC000419770378 309271768 /nfs/dbraw/zinc/27/17/68/309271768.db2.gz WXQZAHNTYDXVKX-LBPRGKRZSA-N 1 0 340.383 3.418 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC1CCC([NH+](C)C)CC1 ZINC000421104681 309313512 /nfs/dbraw/zinc/31/35/12/309313512.db2.gz FFGSHXVOIVRSQD-UHFFFAOYSA-N 1 0 334.420 3.206 20 5 EGBDRO C[C@H]1C[C@@H](CO)C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000421362620 309320434 /nfs/dbraw/zinc/32/04/34/309320434.db2.gz NSJDYTDTMNFQMR-UONOGXRCSA-N 1 0 330.384 3.305 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000421451693 309325040 /nfs/dbraw/zinc/32/50/40/309325040.db2.gz ZJOSBIOLDKAOTC-UHFFFAOYSA-N 1 0 341.411 3.073 20 5 EGBDRO C[NH+](C)C1CCC(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 ZINC000421682867 309334492 /nfs/dbraw/zinc/33/44/92/309334492.db2.gz BEKRVQXFCAPUHE-UHFFFAOYSA-N 1 0 347.440 3.412 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000421734469 309337513 /nfs/dbraw/zinc/33/75/13/309337513.db2.gz DEUQQWGZCVFRLR-HNNXBMFYSA-N 1 0 347.440 3.306 20 5 EGBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)cc2C)C1 ZINC000421770175 309339460 /nfs/dbraw/zinc/33/94/60/309339460.db2.gz BDBMOCBEWONJFP-HNNXBMFYSA-N 1 0 333.432 3.016 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000421776590 309339619 /nfs/dbraw/zinc/33/96/19/309339619.db2.gz UHCOFNBIVGMWKC-INIZCTEOSA-N 1 0 345.443 3.160 20 5 EGBDRO [NH3+][C@H](CC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccccc1 ZINC000423729176 309410912 /nfs/dbraw/zinc/41/09/12/309410912.db2.gz ULEWHPIUWZLGPH-QGZVFWFLSA-N 1 0 339.395 3.176 20 5 EGBDRO [NH3+][C@@H](CCC(=O)NCCc1ccc([N+](=O)[O-])cc1)CC1CCCCC1 ZINC000424101572 309429420 /nfs/dbraw/zinc/42/94/20/309429420.db2.gz NGFOESKKYNWWEH-KRWDZBQOSA-N 1 0 347.459 3.331 20 5 EGBDRO CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000430816471 309618370 /nfs/dbraw/zinc/61/83/70/309618370.db2.gz MQXLYPBTPAOVQX-SJLPKXTDSA-N 1 0 347.459 3.154 20 5 EGBDRO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000430824593 309618578 /nfs/dbraw/zinc/61/85/78/309618578.db2.gz QLYSYIJUYNWTDY-AEFFLSMTSA-N 1 0 347.459 3.154 20 5 EGBDRO C[C@@H]([NH2+]Cc1cccc(N2CCC2=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000442809186 309887893 /nfs/dbraw/zinc/88/78/93/309887893.db2.gz JLTJAPRYMNVOSX-CYBMUJFWSA-N 1 0 325.368 3.182 20 5 EGBDRO CC(C)[C@@H](CC(F)(F)F)[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000445898953 309951142 /nfs/dbraw/zinc/95/11/42/309951142.db2.gz KEHLZWBPRLMRMK-LLVKDONJSA-N 1 0 333.310 3.100 20 5 EGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](Cc1ccccc1)CN(C)C ZINC000449087183 310035967 /nfs/dbraw/zinc/03/59/67/310035967.db2.gz UTBIQSNSZGOSAZ-QFBILLFUSA-N 1 0 341.455 3.288 20 5 EGBDRO CC(C)c1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449193353 310043624 /nfs/dbraw/zinc/04/36/24/310043624.db2.gz NGOVPFBDSRTBNA-ZFWWWQNUSA-N 1 0 343.431 3.365 20 5 EGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)[C@H](O)Cc1ccccc1 ZINC000449214907 310045104 /nfs/dbraw/zinc/04/51/04/310045104.db2.gz YWCSTZVCPIDEIZ-SPYBWZPUSA-N 1 0 328.412 3.108 20 5 EGBDRO CC(C)([NH2+]Cc1cccc(S(C)(=O)=O)c1)c1ccc([N+](=O)[O-])cc1 ZINC000449242979 310047152 /nfs/dbraw/zinc/04/71/52/310047152.db2.gz GZRUZHBJFJVLKI-UHFFFAOYSA-N 1 0 348.424 3.023 20 5 EGBDRO Cc1ccccc1C[C@@H](CO)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449271848 310049133 /nfs/dbraw/zinc/04/91/33/310049133.db2.gz UWOHYEBDNITKGU-YJBOKZPZSA-N 1 0 328.412 3.027 20 5 EGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccnc(OC(F)F)c1 ZINC000449313114 310052613 /nfs/dbraw/zinc/05/26/13/310052613.db2.gz UTAHGJKSLTXUGU-NSHDSACASA-N 1 0 337.326 3.312 20 5 EGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(C[S@](C)=O)cc1 ZINC000449321636 310053356 /nfs/dbraw/zinc/05/33/56/310053356.db2.gz TVCLJQOKJIPLCR-BSEYFRJRSA-N 1 0 346.452 3.194 20 5 EGBDRO COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449415381 310059961 /nfs/dbraw/zinc/05/99/61/310059961.db2.gz OBOFYOFNTZXLOQ-BMFZPTHFSA-N 1 0 334.416 3.237 20 5 EGBDRO CC(C)n1cc(C2=CCC[N@H+](Cc3ccccc3[N+](=O)[O-])CC2)nn1 ZINC000449469217 310064619 /nfs/dbraw/zinc/06/46/19/310064619.db2.gz HANLFGXSGMBTFL-UHFFFAOYSA-N 1 0 341.415 3.447 20 5 EGBDRO C[NH+](C)[C@@H]1CCCN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)C1 ZINC000450305982 310114444 /nfs/dbraw/zinc/11/44/44/310114444.db2.gz RPERJBQWHAGWSF-CQSZACIVSA-N 1 0 332.429 3.249 20 5 EGBDRO Cc1nc(NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)ncc1[N+](=O)[O-] ZINC000450451195 310123429 /nfs/dbraw/zinc/12/34/29/310123429.db2.gz FFLFWLZJYZEHEU-QGZVFWFLSA-N 1 0 341.415 3.016 20 5 EGBDRO COc1c(C)cnc(C[N@H+](C)CCc2ccc([N+](=O)[O-])cc2)c1C ZINC000451371472 310174821 /nfs/dbraw/zinc/17/48/21/310174821.db2.gz DRHMJTKOLWJUIL-UHFFFAOYSA-N 1 0 329.400 3.290 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H]1C[C@H](OC(C)C)C1(C)C ZINC000451499221 310181384 /nfs/dbraw/zinc/18/13/84/310181384.db2.gz MTHUYLUQNJJHPQ-GJZGRUSLSA-N 1 0 349.431 3.023 20 5 EGBDRO C[C@@H]1CCCN1C(=O)CC[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451546352 310184919 /nfs/dbraw/zinc/18/49/19/310184919.db2.gz IZGSWMKYNQQZIX-NVXWUHKLSA-N 1 0 345.443 3.175 20 5 EGBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@]4(CCSC4)C3)nc2c1 ZINC000451979072 310206323 /nfs/dbraw/zinc/20/63/23/310206323.db2.gz PQHNTUQCMUUTOT-INIZCTEOSA-N 1 0 333.413 3.455 20 5 EGBDRO CCO[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000452024478 310208002 /nfs/dbraw/zinc/20/80/02/310208002.db2.gz ZDIVGSIPYAIFEX-KCPJHIHWSA-N 1 0 346.387 3.253 20 5 EGBDRO COc1ccc(NC(=O)C[NH2+][C@@H](C)[C@H]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000452070066 310210313 /nfs/dbraw/zinc/21/03/13/310210313.db2.gz OPBVECRXXQLIBV-RDBSUJKOSA-N 1 0 349.431 3.346 20 5 EGBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCC(=O)N2 ZINC000453226892 310265312 /nfs/dbraw/zinc/26/53/12/310265312.db2.gz PQLDSCDTTFRMFC-NWDGAFQWSA-N 1 0 341.367 3.338 20 5 EGBDRO Cc1c([C@H](C)[NH2+]C[C@H](O)Cc2cccc(F)c2)cccc1[N+](=O)[O-] ZINC000453229165 310265403 /nfs/dbraw/zinc/26/54/03/310265403.db2.gz CAVXMPKSKSHLPE-XJKSGUPXSA-N 1 0 332.375 3.297 20 5 EGBDRO CC1(C)C[C@H](C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCO1 ZINC000453404534 310275098 /nfs/dbraw/zinc/27/50/98/310275098.db2.gz DKBQPPGSZGKVRZ-QLFBSQMISA-N 1 0 336.436 3.070 20 5 EGBDRO CC1(C)C[C@H](C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCO1 ZINC000453404536 310275224 /nfs/dbraw/zinc/27/52/24/310275224.db2.gz DKBQPPGSZGKVRZ-RBSFLKMASA-N 1 0 336.436 3.070 20 5 EGBDRO Cc1cnc(CC[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])cn1 ZINC000453411393 310275728 /nfs/dbraw/zinc/27/57/28/310275728.db2.gz VNJKDCFOWYJPFP-CRAIPNDOSA-N 1 0 340.427 3.237 20 5 EGBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@H+](CC)C[C@@H]1CC ZINC000456341600 310399688 /nfs/dbraw/zinc/39/96/88/310399688.db2.gz BCVRNNUXUBUHMJ-IRXDYDNUSA-N 1 0 347.459 3.106 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccc(OCCO)cc1 ZINC000468633044 310691377 /nfs/dbraw/zinc/69/13/77/310691377.db2.gz RNSJWBLNPFKIAK-PTNGSMBKSA-N 1 0 342.395 3.159 20 5 EGBDRO CCc1ccc(C(=O)NC[C@H](C)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000471782210 310746794 /nfs/dbraw/zinc/74/67/94/310746794.db2.gz RROKVLGDRZMGRO-AWEZNQCLSA-N 1 0 333.432 3.009 20 5 EGBDRO CCc1ccc(C(=O)Nc2ccc(C[NH+](C)C)cc2)cc1[N+](=O)[O-] ZINC000471853953 310750769 /nfs/dbraw/zinc/75/07/69/310750769.db2.gz WOJWDNNTHREGFC-UHFFFAOYSA-N 1 0 327.384 3.471 20 5 EGBDRO CCc1ccc(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)cc1[N+](=O)[O-] ZINC000471909333 310752896 /nfs/dbraw/zinc/75/28/96/310752896.db2.gz HVCMTDXZKGYORJ-MRXNPFEDSA-N 1 0 335.448 3.253 20 5 EGBDRO CCC(CC)(CC(=O)OC)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000472414615 310765466 /nfs/dbraw/zinc/76/54/66/310765466.db2.gz XPSUXFJOIZENMF-UHFFFAOYSA-N 1 0 328.796 3.460 20 5 EGBDRO C[C@@H]1CN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC[N@@H+](C2CCC2)C1 ZINC000488726205 311076526 /nfs/dbraw/zinc/07/65/26/311076526.db2.gz VIJFOIMGDYORPT-AWEZNQCLSA-N 1 0 340.427 3.454 20 5 EGBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(c2nc3ccccc3cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488751548 311078499 /nfs/dbraw/zinc/07/84/99/311078499.db2.gz PRHDGGBEGKGBBN-JJRVBVJISA-N 1 0 340.427 3.310 20 5 EGBDRO CC1CCC(NC(=O)CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)CC1 ZINC000490044095 311131079 /nfs/dbraw/zinc/13/10/79/311131079.db2.gz DCMWWTGBVHDGGY-UHFFFAOYSA-N 1 0 345.443 3.254 20 5 EGBDRO Cc1ccc(C[NH2+]Cc2cc3ccccc3n(C)c2=O)cc1[N+](=O)[O-] ZINC000491460373 311180147 /nfs/dbraw/zinc/18/01/47/311180147.db2.gz YORGFXXRRIUZBF-UHFFFAOYSA-N 1 0 337.379 3.045 20 5 EGBDRO CCOc1cc(C[N@@H+]2CCC[C@@H]2C2CCOCC2)ccc1[N+](=O)[O-] ZINC000492792689 311291797 /nfs/dbraw/zinc/29/17/97/311291797.db2.gz TYUUBFXPGDZDEM-MRXNPFEDSA-N 1 0 334.416 3.385 20 5 EGBDRO Cc1ccc(C(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000498355892 311882049 /nfs/dbraw/zinc/88/20/49/311882049.db2.gz WKOPPXUKGSQYIX-GOSISDBHSA-N 1 0 347.459 3.390 20 5 EGBDRO C[NH+](C)CCN(CC1CCCCC1)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000501261286 311942196 /nfs/dbraw/zinc/94/21/96/311942196.db2.gz ZPYJDPHHZPGGQT-UHFFFAOYSA-N 1 0 339.461 3.240 20 5 EGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](CCO)C(C)C ZINC000504895203 312012164 /nfs/dbraw/zinc/01/21/64/312012164.db2.gz RMOAMKKXYHUHQH-ZIAGYGMSSA-N 1 0 326.462 3.462 20 5 EGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](O)[C@@H](C)CC ZINC000504911108 312012375 /nfs/dbraw/zinc/01/23/75/312012375.db2.gz ANMKAAYEBOSICC-GUTXKFCHSA-N 1 0 326.462 3.462 20 5 EGBDRO COc1ccc(OCCN(C)Cc2c(F)cccc2[N+](=O)[O-])cc1 ZINC000505628006 312028746 /nfs/dbraw/zinc/02/87/46/312028746.db2.gz BXUYGANIAVXKPI-UHFFFAOYSA-N 1 0 334.347 3.253 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+]C(C)(C)c1ccccc1 ZINC000506713346 312053420 /nfs/dbraw/zinc/05/34/20/312053420.db2.gz HRHWFEQJUNNFQY-UHFFFAOYSA-N 1 0 327.384 3.367 20 5 EGBDRO C[N@@H+]1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)C2(CCCCC2)C1 ZINC000509378394 312115345 /nfs/dbraw/zinc/11/53/45/312115345.db2.gz JIURMGCKMQMCQY-UHFFFAOYSA-N 1 0 339.386 3.323 20 5 EGBDRO COc1cccc(C2([NH2+]CCOc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000510142112 312134285 /nfs/dbraw/zinc/13/42/85/312134285.db2.gz DHDFUSXEJNJRMN-UHFFFAOYSA-N 1 0 328.368 3.261 20 5 EGBDRO C[C@H]1C[C@H](CCNc2ccc([N+](=O)[O-])cn2)C[N@@H+]1Cc1ccccc1 ZINC000511599249 312163959 /nfs/dbraw/zinc/16/39/59/312163959.db2.gz OILMZWIORIUGBR-RDJZCZTQSA-N 1 0 340.427 3.124 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(N2CCOC[C@H]2C)CC1 ZINC000514837218 312248305 /nfs/dbraw/zinc/24/83/05/312248305.db2.gz OAAAQAHFBNMFPQ-HZPDHXFCSA-N 1 0 347.459 3.149 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(N2CCOC[C@H]2C)CC1 ZINC000514837216 312248449 /nfs/dbraw/zinc/24/84/49/312248449.db2.gz OAAAQAHFBNMFPQ-CVEARBPZSA-N 1 0 347.459 3.149 20 5 EGBDRO CC(C)c1ccc(C(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000519640540 312467568 /nfs/dbraw/zinc/46/75/68/312467568.db2.gz NVYFMVGFPSSYCU-CQSZACIVSA-N 1 0 345.443 3.322 20 5 EGBDRO C[NH+](C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000531067313 313621535 /nfs/dbraw/zinc/62/15/35/313621535.db2.gz MSNWQCDGNSWPQL-MRXNPFEDSA-N 1 0 347.802 3.281 20 5 EGBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCc2ccccc2CC1 ZINC000533301336 313892480 /nfs/dbraw/zinc/89/24/80/313892480.db2.gz QVQGZHQGTPBKNP-AWEZNQCLSA-N 1 0 339.395 3.023 20 5 EGBDRO COc1ccc([C@@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)c(F)c1 ZINC000536870031 314151455 /nfs/dbraw/zinc/15/14/55/314151455.db2.gz MOHVYRJURUNXRM-GFCCVEGCSA-N 1 0 334.347 3.472 20 5 EGBDRO CC(C)(O)C[N@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000539425414 314313415 /nfs/dbraw/zinc/31/34/15/314313415.db2.gz URAIHSKUJOCYTB-UHFFFAOYSA-N 1 0 344.411 3.247 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](C)C(=O)NCc1ccccc1 ZINC000539628316 314325013 /nfs/dbraw/zinc/32/50/13/314325013.db2.gz JNPLURRLTWFMOF-CABCVRRESA-N 1 0 341.411 3.259 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2nc(C[NH2+][C@@H](CO)C3CCCCC3)co2)cc1 ZINC000541052787 314430928 /nfs/dbraw/zinc/43/09/28/314430928.db2.gz JVHUCBFKOOTBST-KRWDZBQOSA-N 1 0 345.399 3.281 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](CO)C1CCCCC1 ZINC000541980080 314509464 /nfs/dbraw/zinc/50/94/64/314509464.db2.gz BRMNWUDUTIZOTG-KRWDZBQOSA-N 1 0 336.432 3.413 20 5 EGBDRO C[C@@H](C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)Cn1cccn1 ZINC000549550564 315096327 /nfs/dbraw/zinc/09/63/27/315096327.db2.gz JPQDBPRYTOMKBH-AWEZNQCLSA-N 1 0 340.383 3.477 20 5 EGBDRO CC[C@H]1C[N@H+](C)CCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000552134093 315200512 /nfs/dbraw/zinc/20/05/12/315200512.db2.gz VBGDMJWVUBDLRJ-HNNXBMFYSA-N 1 0 329.400 3.381 20 5 EGBDRO CC[NH2+]CCCN[C@H](c1ccc(CC)o1)c1ccc([N+](=O)[O-])cc1 ZINC000566732069 316519400 /nfs/dbraw/zinc/51/94/00/316519400.db2.gz XENPEXHQLFSNLG-SFHVURJKSA-N 1 0 331.416 3.429 20 5 EGBDRO CCC(CC)Nc1cc[nH+]cc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000569053612 316857814 /nfs/dbraw/zinc/85/78/14/316857814.db2.gz OQNLKVFFQVCGGZ-UHFFFAOYSA-N 1 0 328.372 3.265 20 5 EGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[NH+](C2CCC2)CC1 ZINC000172068947 323268850 /nfs/dbraw/zinc/26/88/50/323268850.db2.gz PKKUEZICGXXUOC-UHFFFAOYSA-N 1 0 329.322 3.288 20 5 EGBDRO Cc1ccc(OC[C@@H](O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000180451838 323440731 /nfs/dbraw/zinc/44/07/31/323440731.db2.gz CSUNZHMZYPLCKZ-QAPCUYQASA-N 1 0 344.411 3.302 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](CC(N)=O)C1CCCCC1 ZINC000182068268 323524365 /nfs/dbraw/zinc/52/43/65/323524365.db2.gz VDHXXIVLWTVFFK-CXAGYDPISA-N 1 0 333.432 3.378 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000581192032 325340215 /nfs/dbraw/zinc/34/02/15/325340215.db2.gz IDSKHTYDHFURFP-HNNXBMFYSA-N 1 0 347.459 3.322 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000581914018 325398073 /nfs/dbraw/zinc/39/80/73/325398073.db2.gz KTEZSKIVXOKWHW-KBPBESRZSA-N 1 0 348.447 3.399 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000581914020 325398236 /nfs/dbraw/zinc/39/82/36/325398236.db2.gz KTEZSKIVXOKWHW-UONOGXRCSA-N 1 0 348.447 3.399 20 5 EGBDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000173010529 455219700 /nfs/dbraw/zinc/21/97/00/455219700.db2.gz TZTMOZUUFOSSTJ-JTQLQIEISA-N 1 0 347.337 3.074 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCn3cccn3)o2)c(Cl)c1 ZINC000237816032 455222687 /nfs/dbraw/zinc/22/26/87/455222687.db2.gz YFGMZOWTWHIVDA-UHFFFAOYSA-N 1 0 346.774 3.495 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@H]2CCC[C@H]2CCO)o1 ZINC000189941327 455257861 /nfs/dbraw/zinc/25/78/61/455257861.db2.gz AMTQOOAEOLSWJW-BBRMVZONSA-N 1 0 330.384 3.496 20 5 EGBDRO CC(C)(C)OC(=O)N1CCC(C)([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000190000551 455269630 /nfs/dbraw/zinc/26/96/30/455269630.db2.gz NPFPDQUDKZXVTA-UHFFFAOYSA-N 1 0 349.431 3.474 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000245450980 455304088 /nfs/dbraw/zinc/30/40/88/455304088.db2.gz PCFQWQQCKQXKJN-WMLDXEAASA-N 1 0 331.416 3.496 20 5 EGBDRO CCCNC(=O)[C@H]1CCC[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000245527673 455322279 /nfs/dbraw/zinc/32/22/79/455322279.db2.gz QENMQLDPZBOTEP-CABCVRRESA-N 1 0 333.432 3.202 20 5 EGBDRO C[NH+](C)C1(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)CCCCC1 ZINC000006287641 452931449 /nfs/dbraw/zinc/93/14/49/452931449.db2.gz NUGJFYPNACZJHL-UHFFFAOYSA-N 1 0 339.823 3.243 20 5 EGBDRO O=C(Nc1ccccc1)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000008004152 453149125 /nfs/dbraw/zinc/14/91/25/453149125.db2.gz PHFXPLPGTSAQKJ-UHFFFAOYSA-N 1 0 339.395 3.446 20 5 EGBDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000008350964 453196024 /nfs/dbraw/zinc/19/60/24/453196024.db2.gz UMZNPQSMMBACGK-GFCCVEGCSA-N 1 0 339.823 3.243 20 5 EGBDRO COC(=O)c1ccc(-c2ccc([C@@H]3CCC[NH2+]3)cc2)c([N+](=O)[O-])c1 ZINC000600783024 460602518 /nfs/dbraw/zinc/60/25/18/460602518.db2.gz BSRKPALHSMXLRL-INIZCTEOSA-N 1 0 326.352 3.473 20 5 EGBDRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)Nc1cccc([N+](=O)[O-])c1 ZINC000018177155 453645977 /nfs/dbraw/zinc/64/59/77/453645977.db2.gz AVMBHXPWDPJUDR-HNNXBMFYSA-N 1 0 344.371 3.146 20 5 EGBDRO O=[N+]([O-])c1cccc(CN2CCC[N@H+](Cc3ccc(F)cc3)CC2)c1 ZINC000022982972 453702364 /nfs/dbraw/zinc/70/23/64/453702364.db2.gz DBVCERVAOLXEOE-UHFFFAOYSA-N 1 0 343.402 3.442 20 5 EGBDRO C[C@@H]1C[C@H]1c1ccc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)o1 ZINC000245707202 455361503 /nfs/dbraw/zinc/36/15/03/455361503.db2.gz FFQLMUCBRQIKBC-XJKCOSOUSA-N 1 0 342.399 3.393 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)Cc1ccccc1 ZINC000026157268 453793249 /nfs/dbraw/zinc/79/32/49/453793249.db2.gz SNXMDXVAKIQABN-UHFFFAOYSA-N 1 0 327.384 3.364 20 5 EGBDRO C[C@@H](c1ccc(F)cc1)[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000032490036 453876069 /nfs/dbraw/zinc/87/60/69/453876069.db2.gz SXUDHFAHHJYHFP-SUMWQHHRSA-N 1 0 348.374 3.167 20 5 EGBDRO C[C@@H](c1cccs1)[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000053430054 453878333 /nfs/dbraw/zinc/87/83/33/453878333.db2.gz TXVQEPYFUUUSDU-JSGCOSHPSA-N 1 0 336.413 3.089 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000067165594 453908694 /nfs/dbraw/zinc/90/86/94/453908694.db2.gz RKPIRACJDHWBTA-ZIAGYGMSSA-N 1 0 333.432 3.001 20 5 EGBDRO Cc1ccc([C@@H](CNC(=O)Nc2cccc([N+](=O)[O-])c2)[NH+](C)C)cc1 ZINC000067507465 453936467 /nfs/dbraw/zinc/93/64/67/453936467.db2.gz AZHZTJZHTLYVDQ-QGZVFWFLSA-N 1 0 342.399 3.328 20 5 EGBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)CCc1ccc(F)cc1 ZINC000055022750 453956774 /nfs/dbraw/zinc/95/67/74/453956774.db2.gz LMJBWZMPCZMHRM-CYBMUJFWSA-N 1 0 345.374 3.235 20 5 EGBDRO C[NH+](C)CCN(Cc1cccs1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000084070439 453966998 /nfs/dbraw/zinc/96/69/98/453966998.db2.gz BHVQMRPEQMLPJJ-UHFFFAOYSA-N 1 0 348.428 3.252 20 5 EGBDRO C[C@H]1C[NH+](CCCNc2ccc3cc([N+](=O)[O-])ccc3n2)C[C@H](C)O1 ZINC000076581286 454017266 /nfs/dbraw/zinc/01/72/66/454017266.db2.gz JKDPDYBNBUIABU-KBPBESRZSA-N 1 0 344.415 3.054 20 5 EGBDRO O=[N+]([O-])c1cc(F)ccc1NCC1([NH+]2CCCCC2)CCOCC1 ZINC000076688348 454025991 /nfs/dbraw/zinc/02/59/91/454025991.db2.gz DVCLESKYUDVQLV-UHFFFAOYSA-N 1 0 337.395 3.181 20 5 EGBDRO CCCC[NH+]1CCC(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000068443756 454028190 /nfs/dbraw/zinc/02/81/90/454028190.db2.gz ULZLVPSVGZXFMX-UHFFFAOYSA-N 1 0 339.823 3.243 20 5 EGBDRO COc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000056197184 454043283 /nfs/dbraw/zinc/04/32/83/454043283.db2.gz QIEGWRWLFGVTTH-STQMWFEESA-N 1 0 343.383 3.281 20 5 EGBDRO COc1ccccc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000056197188 454043668 /nfs/dbraw/zinc/04/36/68/454043668.db2.gz QIEGWRWLFGVTTH-QWHCGFSZSA-N 1 0 343.383 3.281 20 5 EGBDRO C[N@H+](CCCNC(=O)c1ccc([N+](=O)[O-])cc1F)C1CCCCC1 ZINC000077476300 454110667 /nfs/dbraw/zinc/11/06/67/454110667.db2.gz ZJDWVAWVUSXDDE-UHFFFAOYSA-N 1 0 337.395 3.118 20 5 EGBDRO Cc1nn(C)c(NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000057829693 454150565 /nfs/dbraw/zinc/15/05/65/454150565.db2.gz CUDMRRLCWGGKCI-INIZCTEOSA-N 1 0 343.431 3.194 20 5 EGBDRO Cc1nn(C)c(NCC2CC[NH+](Cc3cccs3)CC2)c1[N+](=O)[O-] ZINC000057854724 454152737 /nfs/dbraw/zinc/15/27/37/454152737.db2.gz BFFYOMWINVNNNI-UHFFFAOYSA-N 1 0 349.460 3.022 20 5 EGBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1nc2sccn2c1[N+](=O)[O-] ZINC000058179260 454168439 /nfs/dbraw/zinc/16/84/39/454168439.db2.gz BASXIAGOQRVNSQ-GRYCIOLGSA-N 1 0 337.449 3.082 20 5 EGBDRO CCC[NH+]1CCC(N(C)C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000058258809 454175535 /nfs/dbraw/zinc/17/55/35/454175535.db2.gz LRPVDDOSFVCQKT-FNORWQNLSA-N 1 0 349.406 3.080 20 5 EGBDRO Cc1cnc(N2CCC[N@H+](Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000266209374 455425142 /nfs/dbraw/zinc/42/51/42/455425142.db2.gz MECDWGDNSDXLSF-UHFFFAOYSA-N 1 0 326.400 3.011 20 5 EGBDRO Cc1c([C@H](C)[NH2+]CCCN2C[C@@H](C)O[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000119917947 454235409 /nfs/dbraw/zinc/23/54/09/454235409.db2.gz DRFVMXBQJXHBTQ-FMKPAKJESA-N 1 0 335.448 3.053 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CCCc3ccsc3)CC2)cc1 ZINC000096008295 454260995 /nfs/dbraw/zinc/26/09/95/454260995.db2.gz NRQXBTZTHOTNRZ-UHFFFAOYSA-N 1 0 331.441 3.411 20 5 EGBDRO Cc1cc(NCc2ccc(C(N)=O)cc2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000096008386 454261373 /nfs/dbraw/zinc/26/13/73/454261373.db2.gz YVDHDRIIJPOGSG-UHFFFAOYSA-N 1 0 336.351 3.162 20 5 EGBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNc1c([N+](=O)[O-])ncn1C ZINC000071954916 454261476 /nfs/dbraw/zinc/26/14/76/454261476.db2.gz AGOWGIONCBDMPY-CQSZACIVSA-N 1 0 343.431 3.315 20 5 EGBDRO Cc1cnc(N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c([N+](=O)[O-])c1 ZINC000078656350 454293731 /nfs/dbraw/zinc/29/37/31/454293731.db2.gz SIQCBWUUSUEPOI-INIZCTEOSA-N 1 0 332.448 3.247 20 5 EGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc([S@@](C)=O)cc1 ZINC000090220811 454293773 /nfs/dbraw/zinc/29/37/73/454293773.db2.gz HGULBIWRRRBXEK-SHACYNPGSA-N 1 0 346.452 3.443 20 5 EGBDRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])o1)c1ccsc1 ZINC000046940393 454304804 /nfs/dbraw/zinc/30/48/04/454304804.db2.gz CQZPWCYEBXTSHG-LBPRGKRZSA-N 1 0 337.401 3.062 20 5 EGBDRO C[C@H](c1ccccc1)[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000061171321 454330148 /nfs/dbraw/zinc/33/01/48/454330148.db2.gz ZXGYZTPCCIBOTB-RHSMWYFYSA-N 1 0 330.384 3.028 20 5 EGBDRO Cc1cnccc1CC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000090846822 454345378 /nfs/dbraw/zinc/34/53/78/454345378.db2.gz JDJLIEXGUFZXEX-SFHVURJKSA-N 1 0 325.412 3.452 20 5 EGBDRO C[C@@H]([NH2+]C[C@@]1(O)CCOC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000090850246 454345878 /nfs/dbraw/zinc/34/58/78/454345878.db2.gz DHXOVIZHLLVNTC-PXAZEXFGSA-N 1 0 348.424 3.125 20 5 EGBDRO C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)Cc1cccnc1 ZINC000132577777 454349953 /nfs/dbraw/zinc/34/99/53/454349953.db2.gz KVQBCBBYZWPPRT-UHFFFAOYSA-N 1 0 338.367 3.319 20 5 EGBDRO CCC[C@H]1CCC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000120823746 454352496 /nfs/dbraw/zinc/35/24/96/454352496.db2.gz ULUCBPBBPSSCRR-AWEZNQCLSA-N 1 0 347.415 3.405 20 5 EGBDRO C[NH+](C)CCOc1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000072928791 454364358 /nfs/dbraw/zinc/36/43/58/454364358.db2.gz OISPMKZXESFQGQ-UHFFFAOYSA-N 1 0 344.371 3.179 20 5 EGBDRO CC(C)(C)[N@@H+]1CCCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000063722032 454440850 /nfs/dbraw/zinc/44/08/50/454440850.db2.gz OFBLQLSNRULMGP-UHFFFAOYSA-N 1 0 344.415 3.023 20 5 EGBDRO CCc1nn(C)c(NC2CCC([NH+]3CCC(C)CC3)CC2)c1[N+](=O)[O-] ZINC000091672247 454455169 /nfs/dbraw/zinc/45/51/69/454455169.db2.gz LWMBNRTWCKWRNH-UHFFFAOYSA-N 1 0 349.479 3.346 20 5 EGBDRO COc1ccc(CN2CC[NH+](CC3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC000064130570 454467795 /nfs/dbraw/zinc/46/77/95/454467795.db2.gz BYZHBZJPZRPRRM-UHFFFAOYSA-N 1 0 347.459 3.301 20 5 EGBDRO Cc1c(CN2CC[NH+](CCc3cccs3)CC2)cccc1[N+](=O)[O-] ZINC000064352829 454475357 /nfs/dbraw/zinc/47/53/57/454475357.db2.gz PLDWKCVNRJZCCE-UHFFFAOYSA-N 1 0 345.468 3.325 20 5 EGBDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000064800025 454506977 /nfs/dbraw/zinc/50/69/77/454506977.db2.gz GJBQTEBUXQIJJL-TXEJJXNPSA-N 1 0 339.461 3.143 20 5 EGBDRO Cc1cc(C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000122481415 454537650 /nfs/dbraw/zinc/53/76/50/454537650.db2.gz KMGUXAJSPRZKFX-AWEZNQCLSA-N 1 0 333.432 3.145 20 5 EGBDRO CC(C)[NH+](CCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C(C)C ZINC000134519983 454555575 /nfs/dbraw/zinc/55/55/75/454555575.db2.gz DMBSIFTUUDTPSL-UHFFFAOYSA-N 1 0 327.812 3.097 20 5 EGBDRO C[C@@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC[NH2+]1 ZINC000092456758 454569898 /nfs/dbraw/zinc/56/98/98/454569898.db2.gz KXNOFHSWLQHAPI-LLVKDONJSA-N 1 0 335.791 3.302 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000092598606 454592061 /nfs/dbraw/zinc/59/20/61/454592061.db2.gz UFNIGNKVWRUENA-MRXNPFEDSA-N 1 0 347.459 3.228 20 5 EGBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(c2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000080606262 454605128 /nfs/dbraw/zinc/60/51/28/454605128.db2.gz JWORABGNIQCKQQ-HNNXBMFYSA-N 1 0 340.427 3.311 20 5 EGBDRO O=[N+]([O-])c1ccc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(F)c1 ZINC000134936511 454612389 /nfs/dbraw/zinc/61/23/89/454612389.db2.gz YZQHMXINYVPCGE-RDTXWAMCSA-N 1 0 333.407 3.183 20 5 EGBDRO CCCCCNC(=O)C1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000051800400 454638954 /nfs/dbraw/zinc/63/89/54/454638954.db2.gz DATKBTDOTNQPIP-UHFFFAOYSA-N 1 0 333.432 3.113 20 5 EGBDRO COc1cc(C[N@H+](C)CCC2CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000135284033 454657251 /nfs/dbraw/zinc/65/72/51/454657251.db2.gz PKEVSZOSCKZMGV-UHFFFAOYSA-N 1 0 330.331 3.437 20 5 EGBDRO COc1ccc(C[N@H+](Cc2ccccc2)[C@H](C)CCO)cc1[N+](=O)[O-] ZINC000093303913 454700838 /nfs/dbraw/zinc/70/08/38/454700838.db2.gz QUYLMBDUHOARPT-OAHLLOKOSA-N 1 0 344.411 3.377 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@H+](CCO)CCc1ccccc1 ZINC000093389564 454711730 /nfs/dbraw/zinc/71/17/30/454711730.db2.gz XKJDHRSAQUOUSD-UXBLZVDNSA-N 1 0 326.396 3.145 20 5 EGBDRO CCCC[NH+]1CCC(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000137015252 454764791 /nfs/dbraw/zinc/76/47/91/454764791.db2.gz ANKKFFGVEBJZFB-UHFFFAOYSA-N 1 0 339.823 3.243 20 5 EGBDRO CC(C)[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CCCC1 ZINC000108364333 454795039 /nfs/dbraw/zinc/79/50/39/454795039.db2.gz VXJVNHCKIOQWHH-UHFFFAOYSA-N 1 0 331.416 3.137 20 5 EGBDRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC1CC[NH+](C2CCCC2)CC1 ZINC000177418857 454862452 /nfs/dbraw/zinc/86/24/52/454862452.db2.gz XIUFFOZWNRBSEU-CMDGGOBGSA-N 1 0 343.427 3.131 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]([C@@H](C)C1CC1)C1CC1 ZINC000164695770 454887130 /nfs/dbraw/zinc/88/71/30/454887130.db2.gz MMTJUSHGOPEPFW-ZDUSSCGKSA-N 1 0 331.416 3.495 20 5 EGBDRO CC(C)(O)[C@@H]1CCC[N@@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000154460880 454898683 /nfs/dbraw/zinc/89/86/83/454898683.db2.gz VZYATBJHYZJWRN-HNNXBMFYSA-N 1 0 347.440 3.454 20 5 EGBDRO C[C@@H]([NH2+][C@H]1CCN(C(=O)C2CCCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000151062138 454932105 /nfs/dbraw/zinc/93/21/05/454932105.db2.gz DMBWARSISKHDJT-PBHICJAKSA-N 1 0 345.443 3.427 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@@H](C)c1ccncc1 ZINC000127457770 454967307 /nfs/dbraw/zinc/96/73/07/454967307.db2.gz JOEVMCQROXCESV-AWEZNQCLSA-N 1 0 342.399 3.320 20 5 EGBDRO Cc1c(NC(=O)CC[N@@H+](C)[C@H](C)c2ccncc2)cccc1[N+](=O)[O-] ZINC000127560073 454977052 /nfs/dbraw/zinc/97/70/52/454977052.db2.gz MPGDPXXEMNSXAR-CQSZACIVSA-N 1 0 342.399 3.320 20 5 EGBDRO CC1CCC([NH+]2CCN(CCOc3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000115567155 455020798 /nfs/dbraw/zinc/02/07/98/455020798.db2.gz MSNVVVJAKOCKDM-UHFFFAOYSA-N 1 0 347.459 3.170 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2noc(C[NH+](CC3CC3)CC3CC3)n2)cc1 ZINC000115562452 455021268 /nfs/dbraw/zinc/02/12/68/455021268.db2.gz CQTOMLREZHTMES-UHFFFAOYSA-N 1 0 328.372 3.267 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+]CCC(=O)NC2CCCCC2)cc1[N+](=O)[O-] ZINC000128686786 455077281 /nfs/dbraw/zinc/07/72/81/455077281.db2.gz RLKSPZCOIPGYML-CQSZACIVSA-N 1 0 333.432 3.393 20 5 EGBDRO C[N@H+](CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)C1CCCC1 ZINC000171576026 455078155 /nfs/dbraw/zinc/07/81/55/455078155.db2.gz XKJPYIMEYJJQDM-UHFFFAOYSA-N 1 0 347.440 3.414 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC(=O)N(C)Cc1ccccc1 ZINC000119099973 455125418 /nfs/dbraw/zinc/12/54/18/455125418.db2.gz SLSZSDCQMALLFI-OAHLLOKOSA-N 1 0 341.411 3.212 20 5 EGBDRO Cc1noc([C@H]2CCCN(Cc3cc([N+](=O)[O-])ccc3Cl)C2)n1 ZINC000172176383 455131846 /nfs/dbraw/zinc/13/18/46/455131846.db2.gz SZMWVCBWWBVVLL-NSHDSACASA-N 1 0 336.779 3.319 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H](O)COc1ccc(F)cc1 ZINC000152559625 455135924 /nfs/dbraw/zinc/13/59/24/455135924.db2.gz MKKMIRHUNRNOQM-XJKSGUPXSA-N 1 0 348.374 3.133 20 5 EGBDRO C[NH+](C)CCC1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000172237817 455137951 /nfs/dbraw/zinc/13/79/51/455137951.db2.gz ZTQMZSPHLQWYGM-UHFFFAOYSA-N 1 0 325.840 3.412 20 5 EGBDRO COc1cc(C[N@@H+]2CC[C@@H](C)[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000180254480 455152157 /nfs/dbraw/zinc/15/21/57/455152157.db2.gz BESCBFXTBWHFRN-GHMZBOCLSA-N 1 0 344.358 3.478 20 5 EGBDRO Cc1c(NC(=O)N2CCC[N@@H+](C3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000172443775 455154609 /nfs/dbraw/zinc/15/46/09/455154609.db2.gz YKRBQZKPLJKNLQ-UHFFFAOYSA-N 1 0 346.431 3.385 20 5 EGBDRO CCOC(=O)N1CCC([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000189360519 455184768 /nfs/dbraw/zinc/18/47/68/455184768.db2.gz OOTFHZVPBNCOHE-AWEZNQCLSA-N 1 0 349.431 3.250 20 5 EGBDRO CCN(CCC[NH+]1CCCC1)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000189448189 455197624 /nfs/dbraw/zinc/19/76/24/455197624.db2.gz HTVWNUCSQHCVGJ-UHFFFAOYSA-N 1 0 334.420 3.243 20 5 EGBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2[C@H]3CCO[C@H]3C2(C)C)cc1[N+](=O)[O-] ZINC000245510507 455318695 /nfs/dbraw/zinc/31/86/95/455318695.db2.gz WJTAXYZHMRESAC-OUENDJJVSA-N 1 0 334.416 3.458 20 5 EGBDRO Cc1c(C[NH+]2CCC(Oc3ccc(F)nc3)CC2)cccc1[N+](=O)[O-] ZINC000190492344 455331690 /nfs/dbraw/zinc/33/16/90/455331690.db2.gz AOQRYAAPGJDYFB-UHFFFAOYSA-N 1 0 345.374 3.481 20 5 EGBDRO Cc1cnc(C(C)(C)[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])s1 ZINC000183974491 455344357 /nfs/dbraw/zinc/34/43/57/455344357.db2.gz DDINFILXXTYMQX-UHFFFAOYSA-N 1 0 348.428 3.213 20 5 EGBDRO CC[C@H]([NH2+]CC(=O)N1[C@@H](C)CCC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000181550335 455352988 /nfs/dbraw/zinc/35/29/88/455352988.db2.gz SPEAWXQHTJTHIF-ZQIUZPCESA-N 1 0 333.432 3.425 20 5 EGBDRO CSC[C@](C)(O)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000265675719 455360258 /nfs/dbraw/zinc/36/02/58/455360258.db2.gz HQYAUMGANSPDPT-MRXNPFEDSA-N 1 0 336.413 3.058 20 5 EGBDRO Cc1ccc(C[N@H+]2CCC[C@@H](Cc3nccn3C)C2)cc1[N+](=O)[O-] ZINC000182091372 455434391 /nfs/dbraw/zinc/43/43/91/455434391.db2.gz PYUMJTHMVLPJJH-HNNXBMFYSA-N 1 0 328.416 3.091 20 5 EGBDRO CC(C)[NH+](CCNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)C(C)C ZINC000184770248 455444869 /nfs/dbraw/zinc/44/48/69/455444869.db2.gz LLLSRBSYMYTXJV-ZDUSSCGKSA-N 1 0 339.411 3.072 20 5 EGBDRO COCCOc1ccccc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000266841313 455461229 /nfs/dbraw/zinc/46/12/29/455461229.db2.gz GTCPSQIBHLCIQC-AWEZNQCLSA-N 1 0 330.384 3.471 20 5 EGBDRO COC[C@H](Cc1ccccc1)[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000191489883 455489661 /nfs/dbraw/zinc/48/96/61/455489661.db2.gz BQNUNPWUDFJVIY-IBGZPJMESA-N 1 0 328.412 3.327 20 5 EGBDRO Cc1cccc(C[C@@H](CO)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000191602979 455502560 /nfs/dbraw/zinc/50/25/60/455502560.db2.gz CCSCMEXRDQVASI-RDJZCZTQSA-N 1 0 328.412 3.466 20 5 EGBDRO CCOCCC[N@@H+]1CC[C@H](Nc2ccc(F)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000246700260 455518214 /nfs/dbraw/zinc/51/82/14/455518214.db2.gz DRJRJSMLOWADBP-ZFWWWQNUSA-N 1 0 339.411 3.283 20 5 EGBDRO COc1ccc(NC(=O)C[N@@H+]2C[C@H](C)[C@H]3CCCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000182507651 455529224 /nfs/dbraw/zinc/52/92/24/455529224.db2.gz CEMNFJMUQRRRFI-BJJXKVORSA-N 1 0 347.415 3.052 20 5 EGBDRO CC(=O)Nc1cccc([C@H](C)[NH2+]CCOc2cccc([N+](=O)[O-])c2)c1 ZINC000182531992 455534819 /nfs/dbraw/zinc/53/48/19/455534819.db2.gz HFXICOSNGHGFHS-ZDUSSCGKSA-N 1 0 343.383 3.283 20 5 EGBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H]3CCCC[C@H]3C2)c2c(c1)COCO2 ZINC000247331280 455588881 /nfs/dbraw/zinc/58/88/81/455588881.db2.gz OWNFGBDPRXJRJZ-KBPBESRZSA-N 1 0 332.400 3.473 20 5 EGBDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ncc([N+](=O)[O-])s1 ZINC000192471877 455624790 /nfs/dbraw/zinc/62/47/90/455624790.db2.gz HBNWZUFRDKCWOE-AWEZNQCLSA-N 1 0 332.429 3.010 20 5 EGBDRO CCC[C@H]1CN([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000247988655 455666608 /nfs/dbraw/zinc/66/66/08/455666608.db2.gz IUTZKBUEMDWUOD-DOMZBBRYSA-N 1 0 346.387 3.207 20 5 EGBDRO C[NH+](C)CCc1ccc(CNc2c3c(ccc2[N+](=O)[O-])NCC3)cc1 ZINC000277977704 455725160 /nfs/dbraw/zinc/72/51/60/455725160.db2.gz LVGFOFXWCCCNON-UHFFFAOYSA-N 1 0 340.427 3.279 20 5 EGBDRO CC[C@H]([NH2+]CC1(N2CCCC2)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000268907532 455725804 /nfs/dbraw/zinc/72/58/04/455725804.db2.gz SCSWYYCBWLRJNB-SFHVURJKSA-N 1 0 347.459 3.281 20 5 EGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@](C)(O)c1ccccc1 ZINC000268923097 455731945 /nfs/dbraw/zinc/73/19/45/455731945.db2.gz XJFWHHRAYNUXDP-BEFAXECRSA-N 1 0 328.412 3.413 20 5 EGBDRO CCCCC[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000271760995 455750373 /nfs/dbraw/zinc/75/03/73/455750373.db2.gz CVTVZZAAUMHFLD-MSOLQXFVSA-N 1 0 346.431 3.063 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000252011294 455801800 /nfs/dbraw/zinc/80/18/00/455801800.db2.gz XQPYUAJNMJZVCQ-VNDHCKRVSA-N 1 0 330.428 3.463 20 5 EGBDRO C[NH+](C)[C@@H](CNc1cc(C(F)(F)F)ncc1[N+](=O)[O-])c1ccco1 ZINC000278297421 455810377 /nfs/dbraw/zinc/81/03/77/455810377.db2.gz GMUJIZHHLTZMKR-NSHDSACASA-N 1 0 344.293 3.316 20 5 EGBDRO CN(CC[N@H+](C)C1CC1)C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000186800338 455838528 /nfs/dbraw/zinc/83/85/28/455838528.db2.gz LTFGPKRXSSAFRY-UHFFFAOYSA-N 1 0 333.432 3.059 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000194673995 455871993 /nfs/dbraw/zinc/87/19/93/455871993.db2.gz NEZAFJMAENUZNT-HNNXBMFYSA-N 1 0 341.411 3.154 20 5 EGBDRO Cc1nc(NCc2ccccc2C[N@@H+](C)C(C)C)ncc1[N+](=O)[O-] ZINC000296256628 455892874 /nfs/dbraw/zinc/89/28/74/455892874.db2.gz FZLSZFUHYRJUFU-UHFFFAOYSA-N 1 0 329.404 3.146 20 5 EGBDRO CCCC[NH+]1CCC(NC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000194959109 455905214 /nfs/dbraw/zinc/90/52/14/455905214.db2.gz OCOFUVMVFLKINY-AWEZNQCLSA-N 1 0 348.447 3.220 20 5 EGBDRO C[C@](O)(C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(F)(F)F ZINC000270452031 455957802 /nfs/dbraw/zinc/95/78/02/455957802.db2.gz CNUKGTDMXWZURX-AWEZNQCLSA-N 1 0 344.289 3.258 20 5 EGBDRO C[C@H](O)C[C@@H]1CCCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000286136111 455984457 /nfs/dbraw/zinc/98/44/57/455984457.db2.gz VIZRKQZQNWHUFP-JSGCOSHPSA-N 1 0 337.376 3.019 20 5 EGBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000280625920 456016818 /nfs/dbraw/zinc/01/68/18/456016818.db2.gz CACCQPUFYKFWGW-SFHVURJKSA-N 1 0 345.443 3.051 20 5 EGBDRO C[NH+](C)[C@H](CNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000210296404 456021583 /nfs/dbraw/zinc/02/15/83/456021583.db2.gz VVLLWKPPLYGJJE-YYRKOSNBSA-N 1 0 345.424 3.089 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)nc1 ZINC000286330709 456025404 /nfs/dbraw/zinc/02/54/04/456025404.db2.gz LNBCFIDENLXIPA-LJQANCHMSA-N 1 0 338.411 3.092 20 5 EGBDRO CN(c1ccc([N+](=O)[O-])c2cnccc21)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000286331832 456026684 /nfs/dbraw/zinc/02/66/84/456026684.db2.gz KIRBRUGYEKOAGW-PBWFPOADSA-N 1 0 326.400 3.204 20 5 EGBDRO C[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccnc1Cl ZINC000296829445 456048008 /nfs/dbraw/zinc/04/80/08/456048008.db2.gz WIYHYQCTSJIQJP-QWRGUYRKSA-N 1 0 348.790 3.321 20 5 EGBDRO Cc1cc(N2CCC[N@H+](CC3CCCCC3)CC2)ncc1[N+](=O)[O-] ZINC000301443575 456118245 /nfs/dbraw/zinc/11/82/45/456118245.db2.gz PYOSPRACEZYGHL-UHFFFAOYSA-N 1 0 332.448 3.391 20 5 EGBDRO O=[N+]([O-])c1ccc(NCCc2nc3cc(F)ccc3[nH]2)c([N+](=O)[O-])c1 ZINC000301547198 456143821 /nfs/dbraw/zinc/14/38/21/456143821.db2.gz PSQHAPACCSKOPK-UHFFFAOYSA-N 1 0 345.290 3.173 20 5 EGBDRO COCCO[C@H]1CC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000188823622 456146199 /nfs/dbraw/zinc/14/61/99/456146199.db2.gz ICPLJODDMFGUMI-INIZCTEOSA-N 1 0 346.383 3.092 20 5 EGBDRO O=[N+]([O-])c1ccc2nccc(N3CC[C@@H]([NH+]4CCCCC4)C3)c2c1 ZINC000601116667 460716102 /nfs/dbraw/zinc/71/61/02/460716102.db2.gz WMFZAABWOPDZFF-OAHLLOKOSA-N 1 0 326.400 3.208 20 5 EGBDRO Cc1ccnc(N[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000301616114 456163586 /nfs/dbraw/zinc/16/35/86/456163586.db2.gz JNICILJSFBBSOS-HOCLYGCPSA-N 1 0 326.400 3.373 20 5 EGBDRO CCOC(=O)c1cc(N[C@H]2CCC[C@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000301618534 456163912 /nfs/dbraw/zinc/16/39/12/456163912.db2.gz BKMXSYUBFNWOAS-JSGCOSHPSA-N 1 0 335.404 3.056 20 5 EGBDRO CC[C@@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000273147488 456192279 /nfs/dbraw/zinc/19/22/79/456192279.db2.gz LFOXLOXDMNVHFY-JKSUJKDBSA-N 1 0 330.384 3.075 20 5 EGBDRO C[C@H]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[C@@H](C)[C@H]1[NH3+] ZINC000297356757 456197304 /nfs/dbraw/zinc/19/73/04/456197304.db2.gz KCEOSGPKLUQMRL-YHAQOWFVSA-N 1 0 333.413 3.007 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1OC(F)F ZINC000271268075 456198559 /nfs/dbraw/zinc/19/85/59/456198559.db2.gz CPIQGPPOSJQOTP-NEPJUHHUSA-N 1 0 327.331 3.235 20 5 EGBDRO C[C@@H]1C[N@@H+](CCCCNc2c(F)cc([N+](=O)[O-])cc2F)C[C@H](C)O1 ZINC000301793486 456216119 /nfs/dbraw/zinc/21/61/19/456216119.db2.gz PGQRNSRCQIZRPU-TXEJJXNPSA-N 1 0 343.374 3.174 20 5 EGBDRO COCCCC[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000237186263 456244325 /nfs/dbraw/zinc/24/43/25/456244325.db2.gz SQGWDWCQYCYQHP-UHFFFAOYSA-N 1 0 334.372 3.380 20 5 EGBDRO COc1ccc(CN[C@@H](C[NH+](C)C)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000290162360 456256972 /nfs/dbraw/zinc/25/69/72/456256972.db2.gz QEBSUKCPZHHZAZ-INIZCTEOSA-N 1 0 347.390 3.135 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@@H](C)c1ccco1 ZINC000297733740 456281531 /nfs/dbraw/zinc/28/15/31/456281531.db2.gz CBWQWZOFCKDWDE-LBPRGKRZSA-N 1 0 347.371 3.218 20 5 EGBDRO CC[C@@H]1CN(c2nccc(C)c2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000302161702 456303462 /nfs/dbraw/zinc/30/34/62/456303462.db2.gz PPSYNAKMBPAJCL-QGZVFWFLSA-N 1 0 340.427 3.399 20 5 EGBDRO Cc1cc(NCCOCC(F)(F)F)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302172791 456306757 /nfs/dbraw/zinc/30/67/57/456306757.db2.gz MIBMHCBWVQTAQV-UHFFFAOYSA-N 1 0 329.278 3.442 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1CN1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000352800107 456319551 /nfs/dbraw/zinc/31/95/51/456319551.db2.gz GSNMGNFOUOBWJS-YOEHRIQHSA-N 1 0 333.432 3.052 20 5 EGBDRO COc1cc(C[NH2+]C[C@@H]2CC2(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000352899722 456400078 /nfs/dbraw/zinc/40/00/78/456400078.db2.gz HXQCYUVGVSWQEU-NSHDSACASA-N 1 0 344.358 3.383 20 5 EGBDRO Cn1cnc([N+](=O)[O-])c1N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000282163019 456430400 /nfs/dbraw/zinc/43/04/00/456430400.db2.gz DFGVVLSNRHOXRF-OAHLLOKOSA-N 1 0 343.431 3.041 20 5 EGBDRO O=C(C[N@@H+]1CCC[C@H]2CCCC[C@H]21)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000302914127 456436149 /nfs/dbraw/zinc/43/61/49/456436149.db2.gz UVFZYYROAAFLMJ-RHSMWYFYSA-N 1 0 343.427 3.139 20 5 EGBDRO CCN(CCC[NH+]1CCCC1)C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000276301587 456439141 /nfs/dbraw/zinc/43/91/41/456439141.db2.gz AMYBMDGZDFEZAX-UHFFFAOYSA-N 1 0 339.823 3.196 20 5 EGBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000340503881 456497234 /nfs/dbraw/zinc/49/72/34/456497234.db2.gz ONXGOHMXZHOMBC-FRRDWIJNSA-N 1 0 337.445 3.134 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCC2(CCC2)C1 ZINC000348194484 456529308 /nfs/dbraw/zinc/52/93/08/456529308.db2.gz RXTFPCFNDVQNCM-UHFFFAOYSA-N 1 0 331.416 3.498 20 5 EGBDRO C[C@H]1CN(c2ccccc2C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000298769404 456536649 /nfs/dbraw/zinc/53/66/49/456536649.db2.gz DPSCZQBVBCZDAU-HNNXBMFYSA-N 1 0 341.411 3.110 20 5 EGBDRO Cc1nnc(CCNc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)s1 ZINC000291150851 456545708 /nfs/dbraw/zinc/54/57/08/456545708.db2.gz OZVYVCYJTKTUNC-UHFFFAOYSA-N 1 0 329.385 3.266 20 5 EGBDRO C[C@H]([NH2+]Cc1ccccc1Cn1cncn1)c1ccc([N+](=O)[O-])cc1 ZINC000337806228 456558574 /nfs/dbraw/zinc/55/85/74/456558574.db2.gz HVHQACPMVXFSCT-AWEZNQCLSA-N 1 0 337.383 3.085 20 5 EGBDRO CCCC[N@H+](C)CC1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000299030739 456590301 /nfs/dbraw/zinc/59/03/01/456590301.db2.gz DPVPQIRZRSDAPM-UHFFFAOYSA-N 1 0 339.461 3.240 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCO[C@@H]1c1ccnn1C(C)C ZINC000343399396 456593540 /nfs/dbraw/zinc/59/35/40/456593540.db2.gz VHEDPKWMZZAVNW-AEFFLSMTSA-N 1 0 344.415 3.300 20 5 EGBDRO CC(C)c1ccc(C[NH2+][C@H]2CCO[C@H]2c2nccn2C)cc1[N+](=O)[O-] ZINC000343405476 456598605 /nfs/dbraw/zinc/59/86/05/456598605.db2.gz SKMFVCGPIKYZGQ-DOTOQJQBSA-N 1 0 344.415 3.072 20 5 EGBDRO CCOc1cc(C[N@@H+]2CCCC3(CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000276900758 456615030 /nfs/dbraw/zinc/61/50/30/456615030.db2.gz LTNHTSORHPHFKS-UHFFFAOYSA-N 1 0 334.416 3.386 20 5 EGBDRO CC[C@@H]1[C@@H](C)CC[N@@H+]1CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000299343655 456662798 /nfs/dbraw/zinc/66/27/98/456662798.db2.gz OXXOQPYSMJVCKY-SWLSCSKDSA-N 1 0 335.404 3.052 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000353424232 456691588 /nfs/dbraw/zinc/69/15/88/456691588.db2.gz SPBDHSPDACCCRN-KRWDZBQOSA-N 1 0 333.432 3.054 20 5 EGBDRO CCOc1cc(C[NH2+][C@@H]2CCC[C@H]2OC(F)F)ccc1[N+](=O)[O-] ZINC000348458026 456695187 /nfs/dbraw/zinc/69/51/87/456695187.db2.gz QAPAHHAUWZRDOW-DGCLKSJQSA-N 1 0 330.331 3.243 20 5 EGBDRO Cc1cc(C)cc(OC[C@@H](O)C[NH2+]Cc2cccc([N+](=O)[O-])c2C)c1 ZINC000327594421 456707692 /nfs/dbraw/zinc/70/76/92/456707692.db2.gz GGFRCBDZWMHSPC-KRWDZBQOSA-N 1 0 344.411 3.050 20 5 EGBDRO CN(CCC[N@H+](C)Cc1ccco1)Cc1ccc([N+](=O)[O-])cc1F ZINC000353544730 456748512 /nfs/dbraw/zinc/74/85/12/456748512.db2.gz QFERSXMCGNBDOE-UHFFFAOYSA-N 1 0 335.379 3.281 20 5 EGBDRO C[NH+](C)[C@]1(CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCSC1 ZINC000338297853 456756884 /nfs/dbraw/zinc/75/68/84/456756884.db2.gz YSZUFUZTTRCSTM-ZDUSSCGKSA-N 1 0 349.378 3.463 20 5 EGBDRO COc1cc(N2CC([N@H+](C)Cc3ccccc3)C2)c(F)cc1[N+](=O)[O-] ZINC000343632574 456759528 /nfs/dbraw/zinc/75/95/28/456759528.db2.gz OXFZFPWAOZRGSG-UHFFFAOYSA-N 1 0 345.374 3.063 20 5 EGBDRO C[C@@H](c1cccc(O)c1)[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283363944 456765456 /nfs/dbraw/zinc/76/54/56/456765456.db2.gz RTTSGACYLXTGCQ-ZDUSSCGKSA-N 1 0 343.383 3.322 20 5 EGBDRO COc1ccc(-c2ccc(C[N@H+](C)[C@H]3CCC[C@@H]3O)o2)c([N+](=O)[O-])c1 ZINC000348562735 456767864 /nfs/dbraw/zinc/76/78/64/456767864.db2.gz ZYZSVDNNCMUVJF-RDJZCZTQSA-N 1 0 346.383 3.209 20 5 EGBDRO Cc1cc(NC(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000338352300 456782052 /nfs/dbraw/zinc/78/20/52/456782052.db2.gz GMQUZKCKSIUPDJ-OCCSQVGLSA-N 1 0 334.420 3.145 20 5 EGBDRO C[C@@H]1CC[C@H](C[NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C1 ZINC000353592024 456788443 /nfs/dbraw/zinc/78/84/43/456788443.db2.gz ZHQQYDMZKJKTDG-KEYYUXOJSA-N 1 0 328.416 3.444 20 5 EGBDRO Cc1nn(C)c(NC[C@H]2CCC[N@@H+]2CC2CCCCC2)c1[N+](=O)[O-] ZINC000301183490 456815967 /nfs/dbraw/zinc/81/59/67/456815967.db2.gz RPHAIQQBEMUYBD-OAHLLOKOSA-N 1 0 335.452 3.093 20 5 EGBDRO Cc1nn(C)c(NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)c1[N+](=O)[O-] ZINC000301183487 456816569 /nfs/dbraw/zinc/81/65/69/456816569.db2.gz RPHAIQQBEMUYBD-HNNXBMFYSA-N 1 0 335.452 3.093 20 5 EGBDRO COc1cc(C[N@H+](C)[C@@H]2C[C@@](C)(OC)C2(C)C)c([N+](=O)[O-])cc1F ZINC000341274589 456829940 /nfs/dbraw/zinc/82/99/40/456829940.db2.gz GEAHZRWUTMFDMP-NVXWUHKLSA-N 1 0 340.395 3.378 20 5 EGBDRO Cc1c(C[NH2+][C@H](C)c2ccc3c(c2)OCC(=O)N3)cccc1[N+](=O)[O-] ZINC000353684457 456853378 /nfs/dbraw/zinc/85/33/78/456853378.db2.gz HIAVGWIYKNUEAD-GFCCVEGCSA-N 1 0 341.367 3.085 20 5 EGBDRO COc1cc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)cc2c1OCO2 ZINC000338955730 456876430 /nfs/dbraw/zinc/87/64/30/456876430.db2.gz PVSYTBJZVUJCMA-UHFFFAOYSA-N 1 0 344.367 3.007 20 5 EGBDRO COCCO[C@H]1CCC[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000338958087 456876947 /nfs/dbraw/zinc/87/69/47/456876947.db2.gz RWSDKOJQQQPEKO-OTMARIDSSA-N 1 0 334.416 3.126 20 5 EGBDRO COCCO[C@@H]1CCC[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000338958089 456877756 /nfs/dbraw/zinc/87/77/56/456877756.db2.gz RWSDKOJQQQPEKO-VHUCWBOISA-N 1 0 334.416 3.126 20 5 EGBDRO O=[N+]([O-])c1ccc(C[N@@H+](Cc2ccccc2)CC2(CO)CC2)cc1 ZINC000341919653 457002613 /nfs/dbraw/zinc/00/26/13/457002613.db2.gz WAGWBUPFKJVAGJ-UHFFFAOYSA-N 1 0 326.396 3.370 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2C[C@@H]3CC[C@@H](O)[C@H]3C2)o1 ZINC000346323226 457033236 /nfs/dbraw/zinc/03/32/36/457033236.db2.gz FVBKYPAMNUAZEQ-YLQAJVPDSA-N 1 0 328.368 3.058 20 5 EGBDRO CC(C)[C@H]([NH3+])CCN(C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000346691771 457115290 /nfs/dbraw/zinc/11/52/90/457115290.db2.gz WFMZWMZVLGXDEJ-CYBMUJFWSA-N 1 0 331.363 3.001 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000331425629 457183726 /nfs/dbraw/zinc/18/37/26/457183726.db2.gz QWMSPTKBTCWJTR-WMLDXEAASA-N 1 0 346.431 3.289 20 5 EGBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]C[C@@H]2CCC[C@@H](CO)C2)c1 ZINC000342239842 457186504 /nfs/dbraw/zinc/18/65/04/457186504.db2.gz GPKLQJUSTZETBP-VXGBXAGGSA-N 1 0 344.358 3.085 20 5 EGBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C[C@@H]1C ZINC000354435062 457219824 /nfs/dbraw/zinc/21/98/24/457219824.db2.gz QVIKKBPWTWXOPO-STQMWFEESA-N 1 0 344.415 3.021 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@](CO)(C(C)C)C1 ZINC000339706269 457225387 /nfs/dbraw/zinc/22/53/87/457225387.db2.gz MREXKIGZYZIRES-GOSISDBHSA-N 1 0 336.432 3.224 20 5 EGBDRO Cc1c(C[NH2+][C@@H]2CC[C@@H](C)C[C@H]2n2cncn2)cccc1[N+](=O)[O-] ZINC000331988790 457284940 /nfs/dbraw/zinc/28/49/40/457284940.db2.gz AMJPHMGKGNZDDF-SRCQZFHVSA-N 1 0 329.404 3.014 20 5 EGBDRO C[C@H]1CCCC[C@@H]1C[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000354641861 457292149 /nfs/dbraw/zinc/29/21/49/457292149.db2.gz GOPFMKCSDBGZRM-JKSUJKDBSA-N 1 0 345.443 3.179 20 5 EGBDRO C[N@H+](CCNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)C1CCCCC1 ZINC000347262478 457318607 /nfs/dbraw/zinc/31/86/07/457318607.db2.gz MIQDEIJZIWFDJG-UHFFFAOYSA-N 1 0 338.383 3.120 20 5 EGBDRO C[NH+](C)Cc1ccc(CNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)cc1 ZINC000347280083 457327645 /nfs/dbraw/zinc/32/76/45/457327645.db2.gz XNIAHWFLOLAPPR-UHFFFAOYSA-N 1 0 346.362 3.117 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000347327089 457354432 /nfs/dbraw/zinc/35/44/32/457354432.db2.gz XGWWSGIBFBOMTA-RHSMWYFYSA-N 1 0 333.432 3.052 20 5 EGBDRO CCn1c(C)nc([N+](=O)[O-])c1NC1CC[NH+](CC2CCCC2)CC1 ZINC000360949238 457456411 /nfs/dbraw/zinc/45/64/11/457456411.db2.gz HQNMOWRMBVLTFY-UHFFFAOYSA-N 1 0 335.452 3.186 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@H]3CCc4c[nH]nc4C3)o2)c1 ZINC000363939385 457464272 /nfs/dbraw/zinc/46/42/72/457464272.db2.gz SXBQLYRRVXWWRK-AWEZNQCLSA-N 1 0 338.367 3.225 20 5 EGBDRO Cc1nn(C)c(S[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000425286772 457481670 /nfs/dbraw/zinc/48/16/70/457481670.db2.gz UYUZNHOOMJWBMN-OAHLLOKOSA-N 1 0 346.456 3.393 20 5 EGBDRO CCC[N@H+](CC)Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000352740213 457572547 /nfs/dbraw/zinc/57/25/47/457572547.db2.gz QRJCRSQSKFAAPK-UHFFFAOYSA-N 1 0 332.347 3.479 20 5 EGBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000425524784 457585487 /nfs/dbraw/zinc/58/54/87/457585487.db2.gz RUFJNAUUDSETLS-CHWSQXEVSA-N 1 0 335.404 3.052 20 5 EGBDRO C[C@H]1C[C@@H](c2cccnc2)[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000370230872 457593401 /nfs/dbraw/zinc/59/34/01/457593401.db2.gz PPHOGMQXXMHEQY-KSSFIOAISA-N 1 0 327.384 3.452 20 5 EGBDRO CCc1cnccc1[C@@H](C)[NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000361134457 457603864 /nfs/dbraw/zinc/60/38/64/457603864.db2.gz GBCDGVOYCZLFCZ-CYBMUJFWSA-N 1 0 342.399 3.150 20 5 EGBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000361156870 457618173 /nfs/dbraw/zinc/61/81/73/457618173.db2.gz ZAKVYZTYBGZCKG-ZIAGYGMSSA-N 1 0 329.400 3.379 20 5 EGBDRO CCC[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@H]1CCc2ccccc2C1 ZINC000357637440 457634879 /nfs/dbraw/zinc/63/48/79/457634879.db2.gz IVKJXSRQMVLVII-KRWDZBQOSA-N 1 0 328.416 3.061 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)C[C@@H](O)Cc1ccccc1 ZINC000433045481 457652545 /nfs/dbraw/zinc/65/25/45/457652545.db2.gz MDMOFIAMBOXAJZ-QAPCUYQASA-N 1 0 328.412 3.500 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCc3nc(C)ncc3C2)cc1[N+](=O)[O-] ZINC000370671252 457696844 /nfs/dbraw/zinc/69/68/44/457696844.db2.gz OVLGWEJTCQCOIK-MLGOLLRUSA-N 1 0 326.400 3.210 20 5 EGBDRO CC[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])CC1CCC1 ZINC000361480018 457744491 /nfs/dbraw/zinc/74/44/91/457744491.db2.gz BCTMIHCWVVGINA-UHFFFAOYSA-N 1 0 325.796 3.309 20 5 EGBDRO CCNC(=O)C1(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CCC1 ZINC000433071407 457750584 /nfs/dbraw/zinc/75/05/84/457750584.db2.gz YGZNDKQIPRGXNM-INIZCTEOSA-N 1 0 345.443 3.213 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H]1CC(C)C ZINC000411218990 457832197 /nfs/dbraw/zinc/83/21/97/457832197.db2.gz JSPXFWMASSNJAI-AWEZNQCLSA-N 1 0 349.431 3.443 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCC[N@@H+]1CCCC(C)(C)C1 ZINC000444616875 457920043 /nfs/dbraw/zinc/92/00/43/457920043.db2.gz KCKIVLDDWVYLTP-UHFFFAOYSA-N 1 0 347.459 3.372 20 5 EGBDRO CSCC[C@H](CO)[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000358317667 457928663 /nfs/dbraw/zinc/92/86/63/457928663.db2.gz LFMCGUZSGPQWJU-NUEKZKHPSA-N 1 0 338.473 3.010 20 5 EGBDRO CSCC[C@H](CO)[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000358317666 457929581 /nfs/dbraw/zinc/92/95/81/457929581.db2.gz LFMCGUZSGPQWJU-IMJJTQAJSA-N 1 0 338.473 3.010 20 5 EGBDRO CCc1ccccc1CC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000444666111 457932826 /nfs/dbraw/zinc/93/28/26/457932826.db2.gz WBHSDWDYIHSCGB-QGZVFWFLSA-N 1 0 340.427 3.281 20 5 EGBDRO CC(C)[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](O)COc1ccccc1 ZINC000444811225 457982760 /nfs/dbraw/zinc/98/27/60/457982760.db2.gz IGDNVAIILZBKMI-QGZVFWFLSA-N 1 0 344.411 3.245 20 5 EGBDRO CO[C@](C)([C@@H](C)[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C1CC1 ZINC000411968490 458026025 /nfs/dbraw/zinc/02/60/25/458026025.db2.gz JUXBQBIUHNLMGC-FZKQIMNGSA-N 1 0 349.431 3.025 20 5 EGBDRO Cn1cc(C[C@@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C2)cn1 ZINC000371727134 458051087 /nfs/dbraw/zinc/05/10/87/458051087.db2.gz JQACEGWJQPSKCM-LBPRGKRZSA-N 1 0 334.807 3.046 20 5 EGBDRO Cc1cc(N2CC[C@H](c3nccn3C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000371733213 458052807 /nfs/dbraw/zinc/05/28/07/458052807.db2.gz AXWOJFKMEFTBTL-ZDUSSCGKSA-N 1 0 337.383 3.179 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCCC2(CCCC2)C1 ZINC000445852881 458101937 /nfs/dbraw/zinc/10/19/37/458101937.db2.gz ZNGFJWHLGIJQBN-UHFFFAOYSA-N 1 0 331.416 3.498 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CCCCC(C)(C)C1 ZINC000446070378 458139001 /nfs/dbraw/zinc/13/90/01/458139001.db2.gz MVGAYBUZRNNNSM-CYBMUJFWSA-N 1 0 349.431 3.443 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CC(Cc3ccc(F)c(F)c3)C2)c1 ZINC000369408137 458205586 /nfs/dbraw/zinc/20/55/86/458205586.db2.gz KAICCTLQESIFCP-SFHVURJKSA-N 1 0 348.349 3.081 20 5 EGBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3cccc4cccnc43)nc2c1 ZINC000446857336 458238012 /nfs/dbraw/zinc/23/80/12/458238012.db2.gz UUSCOEYEDGDXGK-UHFFFAOYSA-N 1 0 333.351 3.309 20 5 EGBDRO C[C@H](NC(=O)c1sccc1C[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000446955965 458250154 /nfs/dbraw/zinc/25/01/54/458250154.db2.gz FBAJKDNPDHKVMK-NSHDSACASA-N 1 0 333.413 3.209 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2CCN(CC(F)(F)F)CC2)c(F)c1 ZINC000436411017 458300668 /nfs/dbraw/zinc/30/06/68/458300668.db2.gz OZGPSAWJTATARC-UHFFFAOYSA-N 1 0 349.328 3.098 20 5 EGBDRO Cc1ccccc1CC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447513478 458303337 /nfs/dbraw/zinc/30/33/37/458303337.db2.gz WPOSJXPACLXUPH-SJORKVTESA-N 1 0 328.416 3.416 20 5 EGBDRO CSC[C@H]1CCC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000429281661 458307188 /nfs/dbraw/zinc/30/71/88/458307188.db2.gz CVWFOUZGDGMKKD-LBPRGKRZSA-N 1 0 348.428 3.220 20 5 EGBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCOc2cccc(F)c2)n1 ZINC000447544803 458309489 /nfs/dbraw/zinc/30/94/89/458309489.db2.gz WIPZYYWNQFWBTC-HOTGVXAUSA-N 1 0 348.378 3.083 20 5 EGBDRO CCC(CC)(CCO)C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447564948 458312576 /nfs/dbraw/zinc/31/25/76/458312576.db2.gz ZTIGWNKUZGEWQI-CABCVRRESA-N 1 0 338.452 3.053 20 5 EGBDRO CCOc1ccc(NC(=O)C[N@H+](C)[C@@H]2CC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000429596831 458352035 /nfs/dbraw/zinc/35/20/35/458352035.db2.gz ZUGAVVQFPMCHSH-QWHCGFSZSA-N 1 0 335.404 3.052 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1N(C)CCCC1(C)C ZINC000447903313 458363802 /nfs/dbraw/zinc/36/38/02/458363802.db2.gz MPXIAZBMANXDFF-KRWDZBQOSA-N 1 0 335.448 3.204 20 5 EGBDRO C[C@H]1CC[C@@H]([N@H+](CCO)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000429765194 458367507 /nfs/dbraw/zinc/36/75/07/458367507.db2.gz AIMLQTKUTJCSAR-SUMWQHHRSA-N 1 0 345.399 3.233 20 5 EGBDRO Cc1cc(NC(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)ccc1[N+](=O)[O-] ZINC000447998121 458376285 /nfs/dbraw/zinc/37/62/85/458376285.db2.gz JCQONXPMAIZLMA-OAHLLOKOSA-N 1 0 334.420 3.145 20 5 EGBDRO CCOc1cc(C[N@@H+]2CCC[C@H](c3nccn3C)C2)ccc1[N+](=O)[O-] ZINC000373114960 458401445 /nfs/dbraw/zinc/40/14/45/458401445.db2.gz FXPULLDVBXFLGZ-HNNXBMFYSA-N 1 0 344.415 3.107 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@]1(C)CCCC[C@@H]1C ZINC000459615932 458428740 /nfs/dbraw/zinc/42/87/40/458428740.db2.gz PNYVUVNSIKMWQQ-UGSOOPFHSA-N 1 0 349.431 3.490 20 5 EGBDRO C[NH+](C)CCN(Cc1ccsc1)Cc1ccc([N+](=O)[O-])cc1F ZINC000459732425 458460843 /nfs/dbraw/zinc/46/08/43/458460843.db2.gz DKONKBZDCUIBJD-UHFFFAOYSA-N 1 0 337.420 3.359 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)C1CC(C)(C)C1 ZINC000459743270 458466546 /nfs/dbraw/zinc/46/65/46/458466546.db2.gz PSNJUYMMGHSOGL-UHFFFAOYSA-N 1 0 335.404 3.052 20 5 EGBDRO CCC[C@H]([NH2+][C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C1CCC1 ZINC000459769375 458474778 /nfs/dbraw/zinc/47/47/78/458474778.db2.gz BUHLEPBFWPLIAO-DOMZBBRYSA-N 1 0 349.431 3.489 20 5 EGBDRO CSC1(C[NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000468623031 458528147 /nfs/dbraw/zinc/52/81/47/458528147.db2.gz UNRUUEHXFUJPQX-GXDHUFHOSA-N 1 0 336.457 3.500 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](O)Cc1ccccc1 ZINC000468643785 458529021 /nfs/dbraw/zinc/52/90/21/458529021.db2.gz TWHODYIQGAQVPJ-JVVYVMHDSA-N 1 0 326.396 3.191 20 5 EGBDRO CCC1(CC)CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000438491795 458586002 /nfs/dbraw/zinc/58/60/02/458586002.db2.gz IPWHKYVLCSCWHO-UHFFFAOYSA-N 1 0 349.431 3.444 20 5 EGBDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000439078579 458650427 /nfs/dbraw/zinc/65/04/27/458650427.db2.gz ORMIABYOOLVSKO-MRXNPFEDSA-N 1 0 334.420 3.227 20 5 EGBDRO Cc1c(CC(=O)N(C)CC[N@H+](C)C2CCCCC2)cccc1[N+](=O)[O-] ZINC000439082192 458650470 /nfs/dbraw/zinc/65/04/70/458650470.db2.gz BKJDZYXXYLTQMJ-UHFFFAOYSA-N 1 0 347.459 3.169 20 5 EGBDRO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494489891 458687883 /nfs/dbraw/zinc/68/78/83/458687883.db2.gz BOQVKUQQEOVLRD-ZETOZRRWSA-N 1 0 345.365 3.432 20 5 EGBDRO C[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000471809589 458734527 /nfs/dbraw/zinc/73/45/27/458734527.db2.gz IMYJPALCMIOGMG-CMPLNLGQSA-N 1 0 336.775 3.463 20 5 EGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[N@H+](C)CCCNC(=O)C1CCC1 ZINC000432796542 458787887 /nfs/dbraw/zinc/78/78/87/458787887.db2.gz HWQIQVVVSPAOAC-HNNXBMFYSA-N 1 0 347.459 3.154 20 5 EGBDRO CCOC1CC(CC[NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000474057427 458858111 /nfs/dbraw/zinc/85/81/11/458858111.db2.gz KNJVGXDYOADZBP-CBCUQQMYSA-N 1 0 349.431 3.107 20 5 EGBDRO CCc1cccc(OC[C@H](O)C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000556289722 458946188 /nfs/dbraw/zinc/94/61/88/458946188.db2.gz RGPJZPCZGYPWIJ-KBXCAEBGSA-N 1 0 344.411 3.248 20 5 EGBDRO COCC(=O)Nc1cccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000531943965 459004578 /nfs/dbraw/zinc/00/45/78/459004578.db2.gz LTVNULHOYBINFS-ZDUSSCGKSA-N 1 0 343.383 3.031 20 5 EGBDRO C[C@@H](C[NH+]1CCCCC1)NCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000519835864 459014939 /nfs/dbraw/zinc/01/49/39/459014939.db2.gz YPXUCCGVDOZPAK-LBPRGKRZSA-N 1 0 343.374 3.160 20 5 EGBDRO C[NH+](C)[C@H](CNc1ncc([N+](=O)[O-])cc1F)c1ccc(Cl)cc1 ZINC000577480524 459039248 /nfs/dbraw/zinc/03/92/48/459039248.db2.gz UQBNTNIQAJNQJS-CQSZACIVSA-N 1 0 338.770 3.497 20 5 EGBDRO COCC(=O)Nc1cccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000532197096 459045077 /nfs/dbraw/zinc/04/50/77/459045077.db2.gz CCDPKNXUCVYJKM-ZDUSSCGKSA-N 1 0 343.383 3.031 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CC[C@@](O)(C(F)(F)F)C1 ZINC000589938472 459053033 /nfs/dbraw/zinc/05/30/33/459053033.db2.gz SHKUUPUKMRKGIW-ALKKFTBSSA-N 1 0 344.333 3.434 20 5 EGBDRO Cc1c([C@H](C)[NH2+][C@@H]2CC[C@@](O)(C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000589949692 459056091 /nfs/dbraw/zinc/05/60/91/459056091.db2.gz HAXXIKPOLKBTDT-WDMOLILDSA-N 1 0 332.322 3.400 20 5 EGBDRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000477730890 459057050 /nfs/dbraw/zinc/05/70/50/459057050.db2.gz LOERBKPRIMPDET-DAXOMENPSA-N 1 0 334.416 3.361 20 5 EGBDRO CCC[C@@H]([NH2+]C[C@@H](CO)Cc1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000532279159 459059655 /nfs/dbraw/zinc/05/96/55/459059655.db2.gz ASUWHSYZPDXKMD-KBXCAEBGSA-N 1 0 332.400 3.470 20 5 EGBDRO Cc1c([C@@H](C)[NH2+][C@@H](CO)Cc2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000557274363 459060049 /nfs/dbraw/zinc/06/00/49/459060049.db2.gz SFPOLJVIEZJILP-CZUORRHYSA-N 1 0 332.375 3.297 20 5 EGBDRO C[C@H](C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)N1CCCC[C@H]1C ZINC000520499956 459065177 /nfs/dbraw/zinc/06/51/77/459065177.db2.gz UAUICFHBATYIID-QBPKDAKJSA-N 1 0 349.479 3.128 20 5 EGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](C)C(=O)OC(C)(C)C ZINC000594511647 459069632 /nfs/dbraw/zinc/06/96/32/459069632.db2.gz FUUYXYXYGYNUHZ-KBPBESRZSA-N 1 0 336.432 3.483 20 5 EGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1CC[C@@](O)(C(F)(F)F)C1 ZINC000594518424 459075603 /nfs/dbraw/zinc/07/56/03/459075603.db2.gz IGYWWMHKQNTNQY-LQJRIPTKSA-N 1 0 330.306 3.018 20 5 EGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1CC[C@](O)(C(F)(F)F)C1 ZINC000594518422 459076076 /nfs/dbraw/zinc/07/60/76/459076076.db2.gz IGYWWMHKQNTNQY-DUFXMDAXSA-N 1 0 330.306 3.018 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@H](C)C1CCCCC1 ZINC000577751088 459088415 /nfs/dbraw/zinc/08/84/15/459088415.db2.gz MMZJNDQZLQUHFB-CYBMUJFWSA-N 1 0 349.431 3.443 20 5 EGBDRO CC[N@H+](CCc1cccs1)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000532512565 459102832 /nfs/dbraw/zinc/10/28/32/459102832.db2.gz NQGDVGISGBHOKA-UHFFFAOYSA-N 1 0 347.440 3.468 20 5 EGBDRO CC[C@@H](C)[C@@H](C)[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000532966500 459166317 /nfs/dbraw/zinc/16/63/17/459166317.db2.gz PSIJFSXXFCOZPE-ZIAGYGMSSA-N 1 0 333.432 3.457 20 5 EGBDRO CC[N@@H+]1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)C[C@@H]1C ZINC000590635349 459167510 /nfs/dbraw/zinc/16/75/10/459167510.db2.gz FKJVIBQCPLDKNF-LBPRGKRZSA-N 1 0 332.429 3.249 20 5 EGBDRO COc1cc(C[NH2+]CCC2(CSC)CC2)c([N+](=O)[O-])cc1OC ZINC000594964342 459196884 /nfs/dbraw/zinc/19/68/84/459196884.db2.gz YVHOEBJYNHTVBO-UHFFFAOYSA-N 1 0 340.445 3.235 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C[C@@H](CO)CC3CC3)o2)c1 ZINC000594982851 459205235 /nfs/dbraw/zinc/20/52/35/459205235.db2.gz JFJXIEGEAQEXOT-AWEZNQCLSA-N 1 0 330.384 3.353 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1cccc(S(C)(=O)=O)c1 ZINC000590779422 459214193 /nfs/dbraw/zinc/21/41/93/459214193.db2.gz SMWZLAOUOPOBTG-ZDUSSCGKSA-N 1 0 348.424 3.158 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCOCc1ccccc1 ZINC000595014280 459214741 /nfs/dbraw/zinc/21/47/41/459214741.db2.gz WBNGXHYJWSMXEW-CQSZACIVSA-N 1 0 330.384 3.471 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H](CO)Cc1ccccc1C ZINC000595039063 459225881 /nfs/dbraw/zinc/22/58/81/459225881.db2.gz BGIMXTOYCIRYPL-GDBMZVCRSA-N 1 0 344.411 3.166 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](CO)Cc1ccc(C)cc1 ZINC000595041341 459225937 /nfs/dbraw/zinc/22/59/37/459225937.db2.gz PEKWYHBIGWZACV-GOEBONIOSA-N 1 0 344.411 3.166 20 5 EGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@H]1COc2cc(F)ccc2C1 ZINC000595079147 459239492 /nfs/dbraw/zinc/23/94/92/459239492.db2.gz DEKARAKDXNGCHV-CZUORRHYSA-N 1 0 328.343 3.315 20 5 EGBDRO COc1cccc(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1C ZINC000595102289 459245918 /nfs/dbraw/zinc/24/59/18/459245918.db2.gz DXUGEJZUKYMGOP-HOTGVXAUSA-N 1 0 344.415 3.382 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000595105937 459246665 /nfs/dbraw/zinc/24/66/65/459246665.db2.gz UUCXKKQFKZNMPC-ZIAGYGMSSA-N 1 0 333.432 3.201 20 5 EGBDRO Cc1c(CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000481489554 459256226 /nfs/dbraw/zinc/25/62/26/459256226.db2.gz IAOUKKXZIAYLPB-MRXNPFEDSA-N 1 0 345.443 3.174 20 5 EGBDRO C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@@H]1CCC[NH3+] ZINC000595258157 459263793 /nfs/dbraw/zinc/26/37/93/459263793.db2.gz MAXNQJCFPMKKSU-IAQYHMDHSA-N 1 0 339.823 3.228 20 5 EGBDRO CC[N@H+](Cc1onc(C)c1[N+](=O)[O-])[C@H](C)Cc1ccc(OC)cc1 ZINC000595313069 459273980 /nfs/dbraw/zinc/27/39/80/459273980.db2.gz RXYRSTDIPZBBPE-GFCCVEGCSA-N 1 0 333.388 3.353 20 5 EGBDRO CC(C)CNC(=O)CCC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000595386656 459287950 /nfs/dbraw/zinc/28/79/50/459287950.db2.gz KCNUOLUPANXCMQ-UHFFFAOYSA-N 1 0 333.432 3.112 20 5 EGBDRO CN(C(=O)C[N@@H+]1CC(C)(C)[C@@H]2CCC[C@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000568658564 459324349 /nfs/dbraw/zinc/32/43/49/459324349.db2.gz WOVFAZFOQKPMFS-HZPDHXFCSA-N 1 0 331.416 3.068 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000591271651 459344357 /nfs/dbraw/zinc/34/43/57/459344357.db2.gz BKKAXTFLFBJJIO-GJZGRUSLSA-N 1 0 346.431 3.147 20 5 EGBDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000524337717 459358450 /nfs/dbraw/zinc/35/84/50/459358450.db2.gz VXNWKFVUBMNOGF-KRWDZBQOSA-N 1 0 348.447 3.049 20 5 EGBDRO C[C@H](C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000582652425 459402761 /nfs/dbraw/zinc/40/27/61/459402761.db2.gz SMMXXDVUNFHZHH-QLFBSQMISA-N 1 0 345.443 3.347 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](N[C@@H]2CCC[NH2+]CC2)c2ccccc2)c1 ZINC000591578267 459406172 /nfs/dbraw/zinc/40/61/72/459406172.db2.gz JCGZNGJXYMQISE-IEBWSBKVSA-N 1 0 325.412 3.416 20 5 EGBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@H](c3ccccc3)[C@H](CO)C2)c1 ZINC000595748148 459424586 /nfs/dbraw/zinc/42/45/86/459424586.db2.gz QCDYLYNAJXSHCX-PKOBYXMFSA-N 1 0 326.396 3.193 20 5 EGBDRO C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C[C@H]1CC1(C)C ZINC000595908301 459482299 /nfs/dbraw/zinc/48/22/99/459482299.db2.gz GXGCLRDRIZRZCT-SNVBAGLBSA-N 1 0 325.796 3.165 20 5 EGBDRO CC1CCC(O)(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000596057838 459503419 /nfs/dbraw/zinc/50/34/19/459503419.db2.gz CDASHKLBLOGWMY-UHFFFAOYSA-N 1 0 344.358 3.227 20 5 EGBDRO CC(C)C[C@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000542204977 459533494 /nfs/dbraw/zinc/53/34/94/459533494.db2.gz JMUBWMNIQHYOEI-HZPDHXFCSA-N 1 0 336.432 3.235 20 5 EGBDRO O=[N+]([O-])c1cc(N2CC[C@H]([NH+]3CC=CC3)C2)ccc1C(F)(F)F ZINC000596140354 459535154 /nfs/dbraw/zinc/53/51/54/459535154.db2.gz GZGIXLNSDSPADV-LBPRGKRZSA-N 1 0 327.306 3.064 20 5 EGBDRO C[C@@H]1C[C@H](Nc2cc[nH]c(=O)c2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000596152711 459539881 /nfs/dbraw/zinc/53/98/81/459539881.db2.gz LQIIYUOKYDXTFC-UKRRQHHQSA-N 1 0 342.399 3.160 20 5 EGBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596155196 459541064 /nfs/dbraw/zinc/54/10/64/459541064.db2.gz PXPKHYATSCXBBB-DZGCQCFKSA-N 1 0 342.399 3.018 20 5 EGBDRO C[C@H](Nc1c(Cl)cncc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000596190665 459555114 /nfs/dbraw/zinc/55/51/14/459555114.db2.gz WCDFUDNCTDCHLG-NWDGAFQWSA-N 1 0 338.839 3.130 20 5 EGBDRO CN(CCC[N@H+](C)Cc1ccco1)c1c(Cl)cncc1[N+](=O)[O-] ZINC000596230620 459568272 /nfs/dbraw/zinc/56/82/72/459568272.db2.gz ATYJMKGPUKZKPF-UHFFFAOYSA-N 1 0 338.795 3.195 20 5 EGBDRO [NH3+][C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1)C1CC1 ZINC000592317740 459574536 /nfs/dbraw/zinc/57/45/36/459574536.db2.gz QOKWQVLGCPCAKK-OAHLLOKOSA-N 1 0 349.456 3.097 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000583663875 459576102 /nfs/dbraw/zinc/57/61/02/459576102.db2.gz ZCMILWTUZILMAR-UKRRQHHQSA-N 1 0 348.447 3.494 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000583663874 459576790 /nfs/dbraw/zinc/57/67/90/459576790.db2.gz ZCMILWTUZILMAR-HIFRSBDPSA-N 1 0 348.447 3.494 20 5 EGBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc([C@H]2CCC[NH2+]2)no1 ZINC000592357309 459578775 /nfs/dbraw/zinc/57/87/75/459578775.db2.gz VYACODWQKYNRPJ-PSASIEDQSA-N 1 0 338.751 3.196 20 5 EGBDRO O=[N+]([O-])c1cc(-c2nc([C@@H]3CCC[NH2+]3)no2)cc(C(F)(F)F)c1 ZINC000592357258 459578895 /nfs/dbraw/zinc/57/88/95/459578895.db2.gz ZKHPDHYWMLMRSV-JTQLQIEISA-N 1 0 328.250 3.088 20 5 EGBDRO CC[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)NCc1cccs1 ZINC000592396767 459591304 /nfs/dbraw/zinc/59/13/04/459591304.db2.gz RAOTXPNOMMYJEI-WBMJQRKESA-N 1 0 347.440 3.402 20 5 EGBDRO CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000572938790 459598095 /nfs/dbraw/zinc/59/80/95/459598095.db2.gz QMGBGUNSNDPTOY-GJZGRUSLSA-N 1 0 335.448 3.325 20 5 EGBDRO COC(=O)[C@@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1C ZINC000592515454 459620649 /nfs/dbraw/zinc/62/06/49/459620649.db2.gz GDNYIZHBPZMYLK-MLGOLLRUSA-N 1 0 344.367 3.096 20 5 EGBDRO CCC[C@H](C)[C@H]1CCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000543208683 459635799 /nfs/dbraw/zinc/63/57/99/459635799.db2.gz YCTGCDOCWPIOCF-HRCADAONSA-N 1 0 336.432 3.235 20 5 EGBDRO Cc1cc(N2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)ncc1[N+](=O)[O-] ZINC000499641271 459643170 /nfs/dbraw/zinc/64/31/70/459643170.db2.gz AZJURUPJHAIUBP-JKSUJKDBSA-N 1 0 340.427 3.397 20 5 EGBDRO CC1(C)CN(CCOc2ccccc2[N+](=O)[O-])[C@@H]1c1cccnc1 ZINC000596595436 459689567 /nfs/dbraw/zinc/68/95/67/459689567.db2.gz ZZIGQYSBYPHHCG-QGZVFWFLSA-N 1 0 327.384 3.452 20 5 EGBDRO CC[NH+](CC)CCOc1ccc(-c2cc(CO)cc([N+](=O)[O-])c2)cc1 ZINC000592985706 459730534 /nfs/dbraw/zinc/73/05/34/459730534.db2.gz BKJVYXFUDNIGGF-UHFFFAOYSA-N 1 0 344.411 3.475 20 5 EGBDRO CCOC1CC(CC[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000573789773 459735555 /nfs/dbraw/zinc/73/55/55/459735555.db2.gz NKVYMIMMCROQHK-FJBKBRRZSA-N 1 0 336.436 3.070 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000596913412 459794449 /nfs/dbraw/zinc/79/44/49/459794449.db2.gz XKMFFMPPOJTTPK-CYBMUJFWSA-N 1 0 348.447 3.399 20 5 EGBDRO CCn1nc(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000545315527 459824302 /nfs/dbraw/zinc/82/43/02/459824302.db2.gz IOAUEOGAECWBPU-UHFFFAOYSA-N 1 0 340.383 3.133 20 5 EGBDRO CCC[N@@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])cc2OC(F)F)C1 ZINC000546190843 459902684 /nfs/dbraw/zinc/90/26/84/459902684.db2.gz CPEUZPUZCLVJDO-NSHDSACASA-N 1 0 329.347 3.340 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H]1C1CCC1 ZINC000609120996 459906078 /nfs/dbraw/zinc/90/60/78/459906078.db2.gz QYYVERRJEUBCIC-QGZVFWFLSA-N 1 0 331.416 3.496 20 5 EGBDRO C[N@@H+]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])[C@H](Cc2ccccc2)C1 ZINC000593502953 459908456 /nfs/dbraw/zinc/90/84/56/459908456.db2.gz GCDLZBGZGOIXOO-OAHLLOKOSA-N 1 0 346.818 3.006 20 5 EGBDRO O=[N+]([O-])c1cccc(F)c1C[NH+]1C[C@H]2CN(c3ccccc3)C[C@@H]2C1 ZINC000609144414 459912072 /nfs/dbraw/zinc/91/20/72/459912072.db2.gz XQGZHMACZDPGAJ-GJZGRUSLSA-N 1 0 341.386 3.302 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@H]1CCC[C@@H](CO)C1)C1CC1 ZINC000588232903 459936550 /nfs/dbraw/zinc/93/65/50/459936550.db2.gz KKYJFJVXVRXLHV-DAYGRLMNSA-N 1 0 332.444 3.304 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CCc4ccccc43)CC2)cn1 ZINC000602504895 459972743 /nfs/dbraw/zinc/97/27/43/459972743.db2.gz WYJGAOYVKGFFLN-GOSISDBHSA-N 1 0 338.411 3.236 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](c2ccco2)C1 ZINC000609540176 459977957 /nfs/dbraw/zinc/97/79/57/459977957.db2.gz SACWXZNLOYDNNR-AWEZNQCLSA-N 1 0 343.383 3.314 20 5 EGBDRO CC(=O)N1CC[C@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000598678833 459989237 /nfs/dbraw/zinc/98/92/37/459989237.db2.gz VQBPOVMUJIVFHT-SFHVURJKSA-N 1 0 339.395 3.225 20 5 EGBDRO COc1ccc2c(c1)OCC[C@@H]2[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602560269 459997885 /nfs/dbraw/zinc/99/78/85/459997885.db2.gz YUYXTVAPZAUVRK-KRWDZBQOSA-N 1 0 328.368 3.259 20 5 EGBDRO COCC1([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCOCC1 ZINC000575769911 460001976 /nfs/dbraw/zinc/00/19/76/460001976.db2.gz RNCQYIJLKOKOQI-UHFFFAOYSA-N 1 0 346.383 3.140 20 5 EGBDRO C[N@@H+]1CC[C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000602588521 460011859 /nfs/dbraw/zinc/01/18/59/460011859.db2.gz AWDPOPFVNROXQY-IAQYHMDHSA-N 1 0 343.349 3.140 20 5 EGBDRO C[NH+](C)C1(CNc2ccc(C(F)F)cc2[N+](=O)[O-])CCOCC1 ZINC000589113869 460032918 /nfs/dbraw/zinc/03/29/18/460032918.db2.gz QMUORGUHWYIJHZ-UHFFFAOYSA-N 1 0 329.347 3.055 20 5 EGBDRO Cc1c(C[NH2+]Cc2ccccc2OCCCCO)cccc1[N+](=O)[O-] ZINC000602631902 460033343 /nfs/dbraw/zinc/03/33/43/460033343.db2.gz GESKCGOHHGSNOQ-UHFFFAOYSA-N 1 0 344.411 3.344 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1CN1CCC[N@@H+](C2CCCC2)CC1 ZINC000610003880 460048907 /nfs/dbraw/zinc/04/89/07/460048907.db2.gz MGWZROAMHHZNHT-UHFFFAOYSA-N 1 0 333.432 3.054 20 5 EGBDRO CCN(CCC[NH+]1CCCC1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602662947 460052296 /nfs/dbraw/zinc/05/22/96/460052296.db2.gz OVIYIIFYQRNSAY-UHFFFAOYSA-N 1 0 332.404 3.044 20 5 EGBDRO C[C@]1(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)OCCc2sccc21 ZINC000602665311 460054073 /nfs/dbraw/zinc/05/40/73/460054073.db2.gz AGLIGKJPLYLFOB-QGZVFWFLSA-N 1 0 332.425 3.277 20 5 EGBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000597860515 460082391 /nfs/dbraw/zinc/08/23/91/460082391.db2.gz NPCVJUQUKBCBTE-AWEZNQCLSA-N 1 0 347.459 3.109 20 5 EGBDRO CCOC(=O)c1[nH]c(C)c(C[NH2+]CCc2cccc([N+](=O)[O-])c2)c1C ZINC000598977861 460113144 /nfs/dbraw/zinc/11/31/44/460113144.db2.gz PBKWMBKYTSFEKH-UHFFFAOYSA-N 1 0 345.399 3.049 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@H](c2ccc(F)cc2)C[C@H]1C ZINC000602783499 460122586 /nfs/dbraw/zinc/12/25/86/460122586.db2.gz ZWBUJVTYUJPGHC-IUODEOHRSA-N 1 0 332.379 3.117 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@@H](C)C[C@H]1c1cccc(F)c1 ZINC000602784508 460124480 /nfs/dbraw/zinc/12/44/80/460124480.db2.gz ROGILKHCQAFSMH-LRDDRELGSA-N 1 0 332.379 3.322 20 5 EGBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH+]1C2CCCC1CCC2 ZINC000610395055 460140535 /nfs/dbraw/zinc/14/05/35/460140535.db2.gz UPHNZTAWGPUJQT-UHFFFAOYSA-N 1 0 345.399 3.300 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H]1CCC[C@H]1Cc1ccccc1 ZINC000602813915 460141841 /nfs/dbraw/zinc/14/18/41/460141841.db2.gz AEULHLWMYQNDCL-IRXDYDNUSA-N 1 0 328.416 3.101 20 5 EGBDRO CSc1cccc(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000594197471 460145726 /nfs/dbraw/zinc/14/57/26/460145726.db2.gz OJZHCFFCHMSDMX-ZIAGYGMSSA-N 1 0 349.456 3.063 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+][C@H]2Cc3ccccc3NC2=O)cc1[N+](=O)[O-] ZINC000599073461 460152508 /nfs/dbraw/zinc/15/25/08/460152508.db2.gz DRCOOCQGLOPWAK-LRDDRELGSA-N 1 0 325.368 3.117 20 5 EGBDRO CC[C@@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1)c1cccc([N+](=O)[O-])c1 ZINC000599082984 460155293 /nfs/dbraw/zinc/15/52/93/460155293.db2.gz MTRJJUYZPLIVFX-NUJGCVRESA-N 1 0 343.383 3.266 20 5 EGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc[nH]c1=O ZINC000599086908 460157752 /nfs/dbraw/zinc/15/77/52/460157752.db2.gz AXSHLKMOEGJRSX-ZDUSSCGKSA-N 1 0 333.413 3.356 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCc2ccc(O)cc2CC1 ZINC000610481065 460161292 /nfs/dbraw/zinc/16/12/92/460161292.db2.gz POOFEVKRKIVORG-UHFFFAOYSA-N 1 0 342.395 3.300 20 5 EGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@]2(C1)C(=O)Nc1ccccc12 ZINC000614584905 460176876 /nfs/dbraw/zinc/17/68/76/460176876.db2.gz CTYKNNNKHADZEV-BFUOFWGJSA-N 1 0 337.379 3.252 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)c1 ZINC000598217777 460208396 /nfs/dbraw/zinc/20/83/96/460208396.db2.gz BJMLKWRHZDDHDC-CQSZACIVSA-N 1 0 331.416 3.040 20 5 EGBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)[C@H]1CCN(C2CCCCC2)C1=O ZINC000599403586 460247830 /nfs/dbraw/zinc/24/78/30/460247830.db2.gz DARATUYJPRHGEZ-SFHVURJKSA-N 1 0 345.443 3.003 20 5 EGBDRO O=[N+]([O-])c1cccc(C[N@H+](C[C@H]2COc3ccccc3O2)C2CC2)c1 ZINC000610864872 460251086 /nfs/dbraw/zinc/25/10/86/460251086.db2.gz SASCFMLHADAIHL-KRWDZBQOSA-N 1 0 340.379 3.399 20 5 EGBDRO O=[N+]([O-])c1ccc(Cn2cc(C[NH2+]C3CCCCC3)nn2)c(Cl)c1 ZINC000603220644 460267831 /nfs/dbraw/zinc/26/78/31/460267831.db2.gz ZOUVMOZVKZADCK-UHFFFAOYSA-N 1 0 349.822 3.310 20 5 EGBDRO CC(C)[NH2+][C@@H]1CCCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000611171901 460300494 /nfs/dbraw/zinc/30/04/94/460300494.db2.gz SLXAEDNREVFVEW-OAHLLOKOSA-N 1 0 344.415 3.212 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1ccc([S@](C)=O)cc1 ZINC000611336468 460338613 /nfs/dbraw/zinc/33/86/13/460338613.db2.gz PMNRVSJVKMXSQY-ZLOXQWCVSA-N 1 0 332.425 3.491 20 5 EGBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCC(F)(F)C1 ZINC000611475931 460373042 /nfs/dbraw/zinc/37/30/42/460373042.db2.gz VWIQFHOPRJPBQV-CMPLNLGQSA-N 1 0 327.331 3.089 20 5 EGBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000604474201 460431030 /nfs/dbraw/zinc/43/10/30/460431030.db2.gz HJOLCBMMMAVKNQ-NSHDSACASA-N 1 0 340.811 3.100 20 5 EGBDRO C[NH+](C)CCCC1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000611712913 460436828 /nfs/dbraw/zinc/43/68/28/460436828.db2.gz SQTZMRDTHSATJI-UHFFFAOYSA-N 1 0 343.431 3.096 20 5 EGBDRO COc1ccc(NC(=O)CC[NH2+][C@@H](C)c2ccsc2)c([N+](=O)[O-])c1 ZINC000619782575 460442972 /nfs/dbraw/zinc/44/29/72/460442972.db2.gz DTQRCEUWJXDWQC-NSHDSACASA-N 1 0 349.412 3.344 20 5 EGBDRO COc1cccc2c1CC[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000611810419 460467760 /nfs/dbraw/zinc/46/77/60/460467760.db2.gz JUEMRWWNPJPCHC-UHFFFAOYSA-N 1 0 342.395 3.431 20 5 EGBDRO CCC1(O)CCC(Nc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000611931116 460490890 /nfs/dbraw/zinc/49/08/90/460490890.db2.gz TZOTUDQIZQPENQ-UHFFFAOYSA-N 1 0 329.400 3.369 20 5 EGBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CCC2(CCCCC2)CC1 ZINC000612067273 460526150 /nfs/dbraw/zinc/52/61/50/460526150.db2.gz GMDKUYQDQOXHLR-MRXNPFEDSA-N 1 0 348.443 3.381 20 5 EGBDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])[C@H](O)C(F)(F)F ZINC000601301028 460781020 /nfs/dbraw/zinc/78/10/20/460781020.db2.gz PEAHZPQCDXLJRG-MDHDOXDCSA-N 1 0 346.349 3.207 20 5 EGBDRO Cc1ncc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)s1 ZINC000601936307 460951184 /nfs/dbraw/zinc/95/11/84/460951184.db2.gz RWGMWBQKENEOJZ-GHMZBOCLSA-N 1 0 348.428 3.346 20 5 EGBDRO C[C@@H](C(=O)N1CC[NH+](C2CCCCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000617750216 460964788 /nfs/dbraw/zinc/96/47/88/460964788.db2.gz NIEOMSVITKCFKO-OAHLLOKOSA-N 1 0 345.443 3.175 20 5 EGBDRO O=c1c2ccccc2n(Cc2nc([C@@H]3CCC[NH2+]3)no2)c2ccccc12 ZINC000647153885 461528466 /nfs/dbraw/zinc/52/84/66/461528466.db2.gz NCXZPVAUPHHPMD-HNNXBMFYSA-N 1 0 346.390 3.011 20 5 EGBDRO CC1CC[NH+](CCCNc2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000609849392 469965635 /nfs/dbraw/zinc/96/56/35/469965635.db2.gz PSEWAKCTXBACLP-UHFFFAOYSA-N 1 0 329.404 3.072 20 5 EGBDRO Cc1c(C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cccc1[N+](=O)[O-] ZINC000181533817 533804510 /nfs/dbraw/zinc/80/45/10/533804510.db2.gz UMMZPZUASQQBAC-LSDHHAIUSA-N 1 0 345.443 3.286 20 5 EGBDRO Cc1c(NC(=O)CC[N@@H+]2CCS[C@H](C)CC2)cccc1[N+](=O)[O-] ZINC000192186420 533899104 /nfs/dbraw/zinc/89/91/04/533899104.db2.gz TULUBYOCPZTOAB-GFCCVEGCSA-N 1 0 337.445 3.059 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@@H](O)c1ccccc1)C1CC1 ZINC000153774409 534887991 /nfs/dbraw/zinc/88/79/91/534887991.db2.gz PUNCWNDVHGRPHJ-IEBWSBKVSA-N 1 0 326.396 3.239 20 5 EGBDRO CCCC[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000152631562 528460082 /nfs/dbraw/zinc/46/00/82/528460082.db2.gz PYYWOICCBFGKJQ-UHFFFAOYSA-N 1 0 339.823 3.243 20 5 EGBDRO CC[C@@H]([NH2+][C@@H](C)C(=O)NCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000178669600 529199265 /nfs/dbraw/zinc/19/92/65/529199265.db2.gz FSJGWEWQMPIPKJ-KBXCAEBGSA-N 1 0 341.411 3.340 20 5 EGBDRO COC(=O)C[C@@H]1CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1C ZINC000354603078 536318342 /nfs/dbraw/zinc/31/83/42/536318342.db2.gz NIXUWBNOLNFGJM-JRPNMDOOSA-N 1 0 340.807 3.316 20 5 EGBDRO C[C@@H](Cc1cnccn1)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000726606048 574563579 /nfs/dbraw/zinc/56/35/79/574563579.db2.gz RJKIFFQCLCINHQ-ZDUSSCGKSA-N 1 0 338.367 3.366 20 5 EGBDRO CC[C@H](C)[C@H]1CCCC[N@@H+]1Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000738059182 574598497 /nfs/dbraw/zinc/59/84/97/574598497.db2.gz WTUUZZWYXCJRFW-GXTWGEPZSA-N 1 0 333.388 3.361 20 5 EGBDRO C[NH+](C)CCc1ccc(Nc2nc3ccccn3c2[N+](=O)[O-])cc1 ZINC000731027067 575043573 /nfs/dbraw/zinc/04/35/73/575043573.db2.gz OTYQFCDOSYCABC-UHFFFAOYSA-N 1 0 325.372 3.090 20 5 EGBDRO CCc1cccc(NC(=O)C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])c1 ZINC000732230716 575247104 /nfs/dbraw/zinc/24/71/04/575247104.db2.gz OLZNJXQUHQPACF-RMKNXTFCSA-N 1 0 339.395 3.399 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000735213202 575622485 /nfs/dbraw/zinc/62/24/85/575622485.db2.gz NTBALPQSRBEZCO-QGZVFWFLSA-N 1 0 340.379 3.335 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC1CN(C(=O)OC(C)(C)C)C1 ZINC000873097107 1297271515 /nfs/dbraw/zinc/27/15/15/1297271515.db2.gz HBHRDSCUODWCFK-UHFFFAOYSA-N 1 0 349.431 3.168 20 5 EGBDRO C[C@@H]1C[C@H](C)C[N@@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000009997413 1291110929 /nfs/dbraw/zinc/11/09/29/1291110929.db2.gz SXNJASKNEYAMEV-PHIMTYICSA-N 1 0 325.796 3.165 20 5 EGBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000009998059 1291111195 /nfs/dbraw/zinc/11/11/95/1291111195.db2.gz HYRDAYJRQBHLSL-PHIMTYICSA-N 1 0 325.796 3.450 20 5 EGBDRO CC(C)CC[N@H+](Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1)C1CC1 ZINC000054454209 1291752407 /nfs/dbraw/zinc/75/24/07/1291752407.db2.gz MLLUMGJLZKCPEH-UHFFFAOYSA-N 1 0 329.404 3.321 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@]2(O)CCc3ccccc32)cc1[N+](=O)[O-] ZINC000090779794 1292805431 /nfs/dbraw/zinc/80/54/31/1292805431.db2.gz ITAKTGSPZLSIPR-KUHUBIRLSA-N 1 0 326.396 3.388 20 5 EGBDRO [NH3+]CCCCCCNC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000831291439 1292836804 /nfs/dbraw/zinc/83/68/04/1292836804.db2.gz NJDFAPXYIHHDNX-INIZCTEOSA-N 1 0 348.447 3.003 20 5 EGBDRO O=C1NC[C@@H]2C[N@H+](Cc3c4ccccc4cc4ccccc43)CCN12 ZINC000091864775 1292845162 /nfs/dbraw/zinc/84/51/62/1292845162.db2.gz ZXSNVYZMQKCNDZ-QGZVFWFLSA-N 1 0 331.419 3.202 20 5 EGBDRO C[N@H+](CCNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CCCC1 ZINC000105293581 1293032063 /nfs/dbraw/zinc/03/20/63/1293032063.db2.gz ZLBPEYWMJOZEJP-UHFFFAOYSA-N 1 0 340.811 3.244 20 5 EGBDRO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCNC(=O)OC(C)(C)C ZINC000835077302 1293201640 /nfs/dbraw/zinc/20/16/40/1293201640.db2.gz AUFMPZXNEZLYCJ-VQHVLOKHSA-N 1 0 335.404 3.065 20 5 EGBDRO C[C@@H]1SCCN(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)[C@H]1C ZINC000118381596 1293235538 /nfs/dbraw/zinc/23/55/38/1293235538.db2.gz KNAKORKBMLTCQN-STQMWFEESA-N 1 0 332.429 3.242 20 5 EGBDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cc(F)cc(C)c1[N+](=O)[O-] ZINC000125719351 1293515516 /nfs/dbraw/zinc/51/55/16/1293515516.db2.gz KCLHTFVMJJORRG-CYBMUJFWSA-N 1 0 339.411 3.283 20 5 EGBDRO CN(Cc1cccn1C)Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000128271698 1293587223 /nfs/dbraw/zinc/58/72/23/1293587223.db2.gz PMTGPKJDSFUWOI-UHFFFAOYSA-N 1 0 332.385 3.300 20 5 EGBDRO C[C@@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)c1ccccc1 ZINC000129681829 1293631454 /nfs/dbraw/zinc/63/14/54/1293631454.db2.gz YOTAORYQFKHTHF-GFCCVEGCSA-N 1 0 331.347 3.413 20 5 EGBDRO Cc1c([C@@H](C)[NH2+]CCN(C)C(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC000158666801 1294210888 /nfs/dbraw/zinc/21/08/88/1294210888.db2.gz WOUWPTFKBCJCGG-CYBMUJFWSA-N 1 0 337.420 3.421 20 5 EGBDRO Cc1c(C[N@@H+](C)[C@@H](C)CNC(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC000171955028 1294424064 /nfs/dbraw/zinc/42/40/64/1294424064.db2.gz YGDSHXLNGWJVBE-LBPRGKRZSA-N 1 0 337.420 3.248 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@](C)(O)c1cc(C)oc1C ZINC000174440264 1294501028 /nfs/dbraw/zinc/50/10/28/1294501028.db2.gz SMGWMRMTDZJDKX-SFHVURJKSA-N 1 0 348.399 3.201 20 5 EGBDRO CCOC(=O)N[C@@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)CC(C)C ZINC000178643788 1294748694 /nfs/dbraw/zinc/74/86/94/1294748694.db2.gz MXJNERSYNMNZSF-DZGCQCFKSA-N 1 0 337.420 3.406 20 5 EGBDRO CO[C@H]1C[C@@H]([NH2+]Cc2ccc(Br)c([N+](=O)[O-])c2)C1(C)C ZINC000227827301 1296149235 /nfs/dbraw/zinc/14/92/35/1296149235.db2.gz RQWMVXJJYHBJCP-OLZOCXBDSA-N 1 0 343.221 3.260 20 5 EGBDRO CC[C@H](NC(=O)C[C@@H](C)[C@@H]1CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000237007875 1296215826 /nfs/dbraw/zinc/21/58/26/1296215826.db2.gz DAVODGJIYWVCGN-UNEWFSDZSA-N 1 0 333.432 3.188 20 5 EGBDRO O=[N+]([O-])c1c(Cl)cccc1-c1nc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)no1 ZINC000871795447 1296537998 /nfs/dbraw/zinc/53/79/98/1296537998.db2.gz NKTMWJWSBGTIEG-PBINXNQUSA-N 1 0 334.763 3.296 20 5 EGBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@@H]1CCCC[C@@]1(C)[NH3+] ZINC000263097237 1296662613 /nfs/dbraw/zinc/66/26/13/1296662613.db2.gz ZAFHAYONERXKMB-XJKSGUPXSA-N 1 0 339.823 3.114 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)CC[S@](C)=O ZINC000872047943 1296698597 /nfs/dbraw/zinc/69/85/97/1296698597.db2.gz DXBGJOIWVHFBAQ-NNOLRYQLSA-N 1 0 330.475 3.124 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCCN1CCCCCC1=O ZINC000873007786 1297220155 /nfs/dbraw/zinc/22/01/55/1297220155.db2.gz FSHZHMQWKLCHCA-UHFFFAOYSA-N 1 0 333.432 3.094 20 5 EGBDRO Cc1c(C[NH2+]CCCN(C(=O)C2CCC2)C2CC2)cccc1[N+](=O)[O-] ZINC000873047916 1297244964 /nfs/dbraw/zinc/24/49/64/1297244964.db2.gz IQJWBTWYYQRYBR-UHFFFAOYSA-N 1 0 345.443 3.174 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H](O)c1c(F)cccc1F ZINC000873058428 1297252205 /nfs/dbraw/zinc/25/22/05/1297252205.db2.gz FRWZKFSUHFEVOQ-INIZCTEOSA-N 1 0 336.338 3.313 20 5 EGBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H](O)Cc2cccc(Cl)c2)cs1 ZINC000873179116 1297330047 /nfs/dbraw/zinc/33/00/47/1297330047.db2.gz CXFQHUBOJKOJPD-CYBMUJFWSA-N 1 0 326.805 3.003 20 5 EGBDRO [NH3+]Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2)cc(C(F)(F)F)c1 ZINC000362573879 1297502961 /nfs/dbraw/zinc/50/29/61/1297502961.db2.gz YAITVAYMNMEXIX-UHFFFAOYSA-N 1 0 339.273 3.325 20 5 EGBDRO Cc1cc(N2CCC(OCC[NH+](C)C)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000747620917 1298810263 /nfs/dbraw/zinc/81/02/63/1298810263.db2.gz GXQXVHWSMDVEJR-UHFFFAOYSA-N 1 0 341.839 3.104 20 5 EGBDRO CC(C)(C)[NH+]1CCC(NCc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000876948587 1299082477 /nfs/dbraw/zinc/08/24/77/1299082477.db2.gz NUTJVSMXAANNLS-UHFFFAOYSA-N 1 0 332.404 3.089 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]Cc2ccccc2OC(F)F)c1 ZINC000749663257 1299252938 /nfs/dbraw/zinc/25/29/38/1299252938.db2.gz OFXSOHJRWJFDIF-AWEZNQCLSA-N 1 0 338.310 3.019 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@@H]2CCCc3ccccc32)c1 ZINC000749670293 1299254033 /nfs/dbraw/zinc/25/40/33/1299254033.db2.gz KOGHTDRSUXBFMN-LPHOPBHVSA-N 1 0 326.396 3.338 20 5 EGBDRO C[C@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)COCc1ccccc1 ZINC000749684289 1299255793 /nfs/dbraw/zinc/25/57/93/1299255793.db2.gz AVMQOTSXDTTYOT-DNVCBOLYSA-N 1 0 344.411 3.071 20 5 EGBDRO CC(C)COc1ccccc1C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000749693854 1299257509 /nfs/dbraw/zinc/25/75/09/1299257509.db2.gz VVVSZJXGAZKMRJ-GOSISDBHSA-N 1 0 344.411 3.453 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCSC2(CCOCC2)C1 ZINC000877401299 1299279147 /nfs/dbraw/zinc/27/91/47/1299279147.db2.gz BFBZGGRKFIUCNY-UHFFFAOYSA-N 1 0 336.457 3.310 20 5 EGBDRO O=C1[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CCN1c1cccc(Cl)c1 ZINC000749885591 1299291530 /nfs/dbraw/zinc/29/15/30/1299291530.db2.gz YPHFNCVPSDKQQF-INIZCTEOSA-N 1 0 345.786 3.143 20 5 EGBDRO O=[N+]([O-])c1sc(C[NH2+]C[C@H]2CCC=CO2)cc1Br ZINC000877458613 1299315592 /nfs/dbraw/zinc/31/55/92/1299315592.db2.gz ADLWYFYLSGKCRS-MRVPVSSYSA-N 1 0 333.207 3.201 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C2(c3ccc(F)cc3)CCC2)c1 ZINC000750094305 1299337736 /nfs/dbraw/zinc/33/77/36/1299337736.db2.gz CILJWNKFADEGGC-QGZVFWFLSA-N 1 0 330.359 3.436 20 5 EGBDRO C[C@@H](O)C[C@@H]1CCCN1Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000752812293 1299798335 /nfs/dbraw/zinc/79/83/35/1299798335.db2.gz MXFCJAJRWJPAAB-MNOVXSKESA-N 1 0 337.401 3.065 20 5 EGBDRO CC(C)COC[C@@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000754304445 1300119399 /nfs/dbraw/zinc/11/93/99/1300119399.db2.gz ZHTNFEHZAMPRIK-IAGOWNOFSA-N 1 0 348.399 3.225 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1nnc(C[N@H+]2C[C@@H]3CC=CC[C@@H]3C2)o1 ZINC000879531172 1300584000 /nfs/dbraw/zinc/58/40/00/1300584000.db2.gz XZZAUMUIYNYVPS-BETUJISGSA-N 1 0 326.356 3.043 20 5 EGBDRO C[N@@H+]1CCCC[C@H]1CCOC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000758731536 1300947051 /nfs/dbraw/zinc/94/70/51/1300947051.db2.gz KLVFZVUMNBUNLX-AWEZNQCLSA-N 1 0 345.399 3.036 20 5 EGBDRO O=[N+]([O-])c1cccc(CC[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)c1 ZINC000761525229 1301490459 /nfs/dbraw/zinc/49/04/59/1301490459.db2.gz DOQBULWHZXIZEK-UHFFFAOYSA-N 1 0 335.747 3.489 20 5 EGBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2ccnc(F)c2[N+](=O)[O-])C1 ZINC000881983010 1301772699 /nfs/dbraw/zinc/77/26/99/1301772699.db2.gz PKYGIUOCIQDYJV-KGLIPLIRSA-N 1 0 336.411 3.220 20 5 EGBDRO CCCN(CC[NH+](CC)CC)C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000763769239 1301958842 /nfs/dbraw/zinc/95/88/42/1301958842.db2.gz IKURWYSXZIJQLX-UHFFFAOYSA-N 1 0 341.839 3.442 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H]2CCCOc3ccc(F)cc32)cc1 ZINC000765845706 1302338053 /nfs/dbraw/zinc/33/80/53/1302338053.db2.gz SVYMDFRLDOUZCM-DLBZAZTESA-N 1 0 346.358 3.271 20 5 EGBDRO COc1ccc(C)cc1[C@@H](C)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000765848173 1302339362 /nfs/dbraw/zinc/33/93/62/1302339362.db2.gz GZABNFGQCYPZIB-CXAGYDPISA-N 1 0 330.384 3.296 20 5 EGBDRO C[N@@H+]1CCCC[C@H]1CCOC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000766233990 1302414266 /nfs/dbraw/zinc/41/42/66/1302414266.db2.gz VGVOVOXRWUJZJZ-ZDUSSCGKSA-N 1 0 343.383 3.174 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C1CN(C(=O)OC(C)(C)C)C1 ZINC000766526482 1302468831 /nfs/dbraw/zinc/46/88/31/1302468831.db2.gz RLWCMPJULZBHAV-LBPRGKRZSA-N 1 0 335.404 3.173 20 5 EGBDRO COCc1ccc([C@H]2CCC[N@@H+]2C[C@H](O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000767936159 1302788331 /nfs/dbraw/zinc/78/83/31/1302788331.db2.gz ZYKADNKXDQHMKG-SJORKVTESA-N 1 0 346.383 3.205 20 5 EGBDRO COc1cccc(C(=O)Nc2ccc(C[NH+](C)C)c(F)c2)c1[N+](=O)[O-] ZINC000768002759 1302802591 /nfs/dbraw/zinc/80/25/91/1302802591.db2.gz VVWSVKYZZBEIRN-UHFFFAOYSA-N 1 0 347.346 3.056 20 5 EGBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2c2nc3ccc([N+](=O)[O-])cc3s2)C1 ZINC000768538814 1302929227 /nfs/dbraw/zinc/92/92/27/1302929227.db2.gz GMTBNZCSZGFHPF-RISCZKNCSA-N 1 0 332.429 3.125 20 5 EGBDRO CC(C)(C)OCC(=[NH2+])NOCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000768928845 1303016007 /nfs/dbraw/zinc/01/60/07/1303016007.db2.gz AZEMZVAEBXUEBW-UHFFFAOYSA-N 1 0 348.359 3.063 20 5 EGBDRO C[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1)[NH+]1CCCCC1 ZINC000770017772 1303208564 /nfs/dbraw/zinc/20/85/64/1303208564.db2.gz VNOLYRUYNMVLQW-NSHDSACASA-N 1 0 340.811 3.244 20 5 EGBDRO O=[N+]([O-])c1ncccc1C[NH2+][C@@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC000886190300 1303391343 /nfs/dbraw/zinc/39/13/43/1303391343.db2.gz LIZKNQXMVLCJLV-QGZVFWFLSA-N 1 0 347.802 3.135 20 5 EGBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]Cc2ccc(Cl)nc2)n1 ZINC000774132355 1303777171 /nfs/dbraw/zinc/77/71/71/1303777171.db2.gz TYKIAVSXKZISKL-OLZOCXBDSA-N 1 0 335.795 3.113 20 5 EGBDRO C[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000774354899 1303801495 /nfs/dbraw/zinc/80/14/95/1303801495.db2.gz GHXMQJWYTCYZDF-MLGOLLRUSA-N 1 0 349.431 3.475 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)c1C ZINC000888185545 1304063273 /nfs/dbraw/zinc/06/32/73/1304063273.db2.gz OIRNTNICQXRKFY-ZIAGYGMSSA-N 1 0 333.432 3.204 20 5 EGBDRO CN(CCCC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000776279491 1304127937 /nfs/dbraw/zinc/12/79/37/1304127937.db2.gz XSLDXSICRZQEPZ-IBGZPJMESA-N 1 0 343.427 3.134 20 5 EGBDRO COCC[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H](C)c1ccccc1 ZINC000776580270 1304173890 /nfs/dbraw/zinc/17/38/90/1304173890.db2.gz RUVHYNWHUUFTEU-KXBFYZLASA-N 1 0 344.411 3.338 20 5 EGBDRO C[C@H]1c2ccc(F)cc2CC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776583375 1304175395 /nfs/dbraw/zinc/17/53/95/1304175395.db2.gz FAKWYINTAYRMQA-SGTLLEGYSA-N 1 0 330.359 3.387 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C2(c3ccc(F)cc3)CCC2)cc1 ZINC000776586586 1304176899 /nfs/dbraw/zinc/17/68/99/1304176899.db2.gz GEAYFZZAIYBQKX-QGZVFWFLSA-N 1 0 330.359 3.436 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CC[C@H](c3ccc(F)cc3)C2)cc1 ZINC000776593043 1304178089 /nfs/dbraw/zinc/17/80/89/1304178089.db2.gz UMUATWHUAACEBZ-MAUKXSAKSA-N 1 0 330.359 3.257 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)c1C ZINC000889088248 1304379900 /nfs/dbraw/zinc/37/99/00/1304379900.db2.gz MPDZNMPVFQZNNR-INIZCTEOSA-N 1 0 345.443 3.302 20 5 EGBDRO Cc1ccncc1[C@H](C)[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000782531085 1304985888 /nfs/dbraw/zinc/98/58/88/1304985888.db2.gz NGRYOFCHOJZJQO-LBPRGKRZSA-N 1 0 346.362 3.117 20 5 EGBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)[C@@]12CCCO2 ZINC000783674640 1305126140 /nfs/dbraw/zinc/12/61/40/1305126140.db2.gz ZUSLTEMHCFXIKT-XHSDSOJGSA-N 1 0 340.807 3.064 20 5 EGBDRO CC(C)(C)Oc1cc(NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)ccc1[N+](=O)[O-] ZINC000785797035 1305436295 /nfs/dbraw/zinc/43/62/95/1305436295.db2.gz TZMWJQBCNXJCNM-HUUCEWRRSA-N 1 0 349.431 3.047 20 5 EGBDRO COc1c(O)ccc(CN[C@@H](C)c2c(F)cccc2F)c1[N+](=O)[O-] ZINC000892629851 1305479296 /nfs/dbraw/zinc/47/92/96/1305479296.db2.gz ACXZSENZKWPAFD-VIFPVBQESA-N 1 0 338.310 3.438 20 5 EGBDRO CC(C)[N@@H+]1CCC[C@@H](CNCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000892944340 1305619341 /nfs/dbraw/zinc/61/93/41/1305619341.db2.gz OZBQHFILUUQUSG-ZDUSSCGKSA-N 1 0 325.840 3.458 20 5 EGBDRO COc1ccc([C@@H](O)C[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)cc1 ZINC000786807992 1305633034 /nfs/dbraw/zinc/63/30/34/1305633034.db2.gz GVFNEFFBOFMGEE-CPPNXCSESA-N 1 0 342.395 3.330 20 5 EGBDRO CC1(C)CC[N@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)CCS1 ZINC000788377051 1305932265 /nfs/dbraw/zinc/93/22/65/1305932265.db2.gz DQKUYHRRLCRGCH-UHFFFAOYSA-N 1 0 347.444 3.028 20 5 EGBDRO C[C@H](Cc1cnccn1)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000788575581 1305973989 /nfs/dbraw/zinc/97/39/89/1305973989.db2.gz BHZNBJMVYHKHSY-SJKOYZFVSA-N 1 0 326.400 3.328 20 5 EGBDRO CSC1(C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CC[NH+](C)CC1 ZINC000894546395 1308947792 /nfs/dbraw/zinc/94/77/92/1308947792.db2.gz ZVORXFDLOMSLPU-UHFFFAOYSA-N 1 0 343.880 3.165 20 5 EGBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@H]1CC[N@@H+]1C(C)(C)C ZINC000895551162 1309396556 /nfs/dbraw/zinc/39/65/56/1309396556.db2.gz VWDBHSSCDWQNRO-CQSZACIVSA-N 1 0 339.823 3.079 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)c1C ZINC000895728905 1309492081 /nfs/dbraw/zinc/49/20/81/1309492081.db2.gz BEGPOFIVQCINIV-GXTWGEPZSA-N 1 0 333.432 3.062 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ncn(C[N@H+](CC3CC3)CC3CCC3)n2)cc1 ZINC000794715410 1309581300 /nfs/dbraw/zinc/58/13/00/1309581300.db2.gz VHDINPAGQZBLFO-UHFFFAOYSA-N 1 0 341.415 3.323 20 5 EGBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)OCC[C@H]1CCCC[N@@H+]1C ZINC000795713060 1309814789 /nfs/dbraw/zinc/81/47/89/1309814789.db2.gz VRAPIQBVPOPJAJ-CYBMUJFWSA-N 1 0 336.388 3.025 20 5 EGBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@H](O)c1cccc(Cl)c1 ZINC000796111410 1309909931 /nfs/dbraw/zinc/90/99/31/1309909931.db2.gz FBUGJUWSASCAMX-KRWDZBQOSA-N 1 0 334.803 3.456 20 5 EGBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2c(C)c(C)ccc2[N+](=O)[O-])C1 ZINC000896735599 1309992916 /nfs/dbraw/zinc/99/29/16/1309992916.db2.gz LZFCUJKWIVGZQC-HNNXBMFYSA-N 1 0 333.432 3.016 20 5 EGBDRO CC[NH+](CC)CCCOC(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000800204134 1310700569 /nfs/dbraw/zinc/70/05/69/1310700569.db2.gz ASCCZNNUVRXPHY-UHFFFAOYSA-N 1 0 326.418 3.205 20 5 EGBDRO CC[NH+](CC)CCCOC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000800219305 1310705704 /nfs/dbraw/zinc/70/57/04/1310705704.db2.gz JKKDMKQPSOUFGW-UHFFFAOYSA-N 1 0 328.796 3.066 20 5 EGBDRO COC(=O)C1CCC([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000898609725 1310802617 /nfs/dbraw/zinc/80/26/17/1310802617.db2.gz BJTLFLUSAFMNQN-UHFFFAOYSA-N 1 0 326.780 3.070 20 5 EGBDRO CCOc1cc(C[NH2+][C@H]2CCc3ccccc3OC2)ccc1[N+](=O)[O-] ZINC000801575188 1310968982 /nfs/dbraw/zinc/96/89/82/1310968982.db2.gz HPRSZPWLKJLMRL-INIZCTEOSA-N 1 0 342.395 3.477 20 5 EGBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H](O)c1ccc(F)c(F)c1 ZINC000801599773 1310972466 /nfs/dbraw/zinc/97/24/66/1310972466.db2.gz CKUUOPBGBXEQRL-KRWDZBQOSA-N 1 0 336.338 3.081 20 5 EGBDRO O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CCC(C[NH+]2CCCCC2)CC1 ZINC000804388817 1317227787 /nfs/dbraw/zinc/22/77/87/1317227787.db2.gz DMDPYUPEGRSUCX-UHFFFAOYSA-N 1 0 348.403 3.205 20 5 EGBDRO CS[C@@H]1CN(c2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000804623004 1317267545 /nfs/dbraw/zinc/26/75/45/1317267545.db2.gz PSVWFWGQHUDFCK-HUUCEWRRSA-N 1 0 341.864 3.264 20 5 EGBDRO CN(C)c1ccnc(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000903201529 1317674007 /nfs/dbraw/zinc/67/40/07/1317674007.db2.gz IIXPNKCDWKRGQN-SFHVURJKSA-N 1 0 340.427 3.167 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(CCO)cc1)CCC2 ZINC000903402697 1317696530 /nfs/dbraw/zinc/69/65/30/1317696530.db2.gz GJWWLMRLVHNFIE-IBGZPJMESA-N 1 0 326.396 3.297 20 5 EGBDRO C[C@H]([NH3+])[C@H]1CCCCN1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000903713535 1317724165 /nfs/dbraw/zinc/72/41/65/1317724165.db2.gz UQBNCTVNFLQRQN-GXFFZTMASA-N 1 0 342.237 3.059 20 5 EGBDRO Cc1c(CON=C(N)C[NH+]2[C@H](C)CCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000809375404 1317806666 /nfs/dbraw/zinc/80/66/66/1317806666.db2.gz ZLNIGTGYZKPJAK-CHWSQXEVSA-N 1 0 334.420 3.165 20 5 EGBDRO [NH3+]CCN(Cc1ccccc1OC(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000809735219 1317882585 /nfs/dbraw/zinc/88/25/85/1317882585.db2.gz VXKUIBISPPVIFJ-UHFFFAOYSA-N 1 0 337.326 3.162 20 5 EGBDRO [NH3+]CCN(C/C=C\c1ccc(F)cc1F)c1ccc([N+](=O)[O-])cc1 ZINC000809736395 1317885078 /nfs/dbraw/zinc/88/50/78/1317885078.db2.gz SHTRVFJFWFGLJF-UPHRSURJSA-N 1 0 333.338 3.352 20 5 EGBDRO C[S@@](=O)c1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)cc1 ZINC000809793683 1317902885 /nfs/dbraw/zinc/90/28/85/1317902885.db2.gz KONPYZYVTMDJHH-JOCHJYFZSA-N 1 0 338.816 3.275 20 5 EGBDRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000809918972 1317917778 /nfs/dbraw/zinc/91/77/78/1317917778.db2.gz CQQINGPHSJLVHC-CYBMUJFWSA-N 1 0 340.811 3.052 20 5 EGBDRO C[C@H]1[C@H](C)[N@H+](C)CCN1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809970401 1317927234 /nfs/dbraw/zinc/92/72/34/1317927234.db2.gz XTEFMMVSCWMPDV-UWVGGRQHSA-N 1 0 332.231 3.426 20 5 EGBDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809970400 1317927578 /nfs/dbraw/zinc/92/75/78/1317927578.db2.gz XTEFMMVSCWMPDV-NXEZZACHSA-N 1 0 332.231 3.426 20 5 EGBDRO Cc1ccc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3csc([N+](=O)[O-])c3)C2)cc1 ZINC001020972141 1318023678 /nfs/dbraw/zinc/02/36/78/1318023678.db2.gz NZSUZUXHANXXFJ-SHTZXODSSA-N 1 0 345.424 3.015 20 5 EGBDRO Cc1noc(CCC[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])n1 ZINC000811480599 1318181711 /nfs/dbraw/zinc/18/17/11/1318181711.db2.gz ZQKJHBVGDFWANH-UHFFFAOYSA-N 1 0 345.186 3.315 20 5 EGBDRO COc1cccc([C@H](C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)OC)c1 ZINC000858443771 1328763064 /nfs/dbraw/zinc/76/30/64/1328763064.db2.gz WZJYQEYTGXRUIA-XIKOKIGWSA-N 1 0 345.399 3.224 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCCC[C@@H]2[C@H]2CCCC[C@@H]2O)cc1 ZINC000812841256 1318469527 /nfs/dbraw/zinc/46/95/27/1318469527.db2.gz OHFONBFZVKNYPJ-AKHDSKFASA-N 1 0 348.443 3.034 20 5 EGBDRO COc1ccc(C(=O)Nc2ccc(C[NH+](C)C)cc2C)cc1[N+](=O)[O-] ZINC000909626478 1318505320 /nfs/dbraw/zinc/50/53/20/1318505320.db2.gz PRWCCPLTOXNNBU-UHFFFAOYSA-N 1 0 343.383 3.226 20 5 EGBDRO CC[N@@H+]1CCCN(C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000910278946 1318594052 /nfs/dbraw/zinc/59/40/52/1318594052.db2.gz HFMZUZJGGDLVNL-AWEZNQCLSA-N 1 0 333.432 3.275 20 5 EGBDRO CC(C)(O)[C@@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Br ZINC000930060098 1328775545 /nfs/dbraw/zinc/77/55/45/1328775545.db2.gz CAHTZTDQLVGQID-ZDUSSCGKSA-N 1 0 343.221 3.093 20 5 EGBDRO O=C(NCC[NH2+]C1CCCCCC1)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000911841035 1318770449 /nfs/dbraw/zinc/77/04/49/1318770449.db2.gz OMHIIILISYVZRC-ROUUACIJSA-N 1 0 345.443 3.127 20 5 EGBDRO C[C@@H]([NH2+]C[C@@H]1OCCc2ccccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815592480 1319024661 /nfs/dbraw/zinc/02/46/61/1319024661.db2.gz JHMMUWCSQJTWQI-XIKOKIGWSA-N 1 0 327.384 3.142 20 5 EGBDRO COCC[C@@H](Cc1ccco1)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815615587 1319029058 /nfs/dbraw/zinc/02/90/58/1319029058.db2.gz SGZGQQGYTYKVBP-JSGCOSHPSA-N 1 0 333.388 3.068 20 5 EGBDRO CC1(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)CCCCC1 ZINC001022644838 1319037545 /nfs/dbraw/zinc/03/75/45/1319037545.db2.gz XUOBWWDMPUOTJU-IYBDPMFKSA-N 1 0 345.443 3.302 20 5 EGBDRO CC(C)(CO)[C@@H]([NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1)c1cccnc1 ZINC000816638006 1319198946 /nfs/dbraw/zinc/19/89/46/1319198946.db2.gz WWLUGFAHNYWWSB-INIZCTEOSA-N 1 0 349.818 3.493 20 5 EGBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000816898821 1319242123 /nfs/dbraw/zinc/24/21/23/1319242123.db2.gz HXZNEBLKAHKEJC-VXGBXAGGSA-N 1 0 339.823 3.098 20 5 EGBDRO C[NH+](C)C1CCC(NC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000817297139 1319318019 /nfs/dbraw/zinc/31/80/19/1319318019.db2.gz NLDGDXJWMLSEJG-UHFFFAOYSA-N 1 0 340.811 3.243 20 5 EGBDRO C[C@H]([NH2+][C@H]1CCCc2cc(N)ccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817968748 1319481261 /nfs/dbraw/zinc/48/12/61/1319481261.db2.gz WZXXQVFEGURBCF-GTNSWQLSSA-N 1 0 326.400 3.487 20 5 EGBDRO C[C@@H]([NH2+][C@@H]1CCCc2cc(N)ccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817968749 1319481330 /nfs/dbraw/zinc/48/13/30/1319481330.db2.gz WZXXQVFEGURBCF-PIGZYNQJSA-N 1 0 326.400 3.487 20 5 EGBDRO Cc1ccc(OCCCC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000818961934 1319592354 /nfs/dbraw/zinc/59/23/54/1319592354.db2.gz XUWOOPLTXNAIGS-IBGZPJMESA-N 1 0 344.411 3.385 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCc2ccc(Cl)s2)c1 ZINC000818961116 1319592524 /nfs/dbraw/zinc/59/25/24/1319592524.db2.gz MABPVMNKPKSCHN-CYBMUJFWSA-N 1 0 326.805 3.175 20 5 EGBDRO Cc1cccc(C)c1OC[C@H](C)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000818974663 1319600327 /nfs/dbraw/zinc/60/03/27/1319600327.db2.gz OIIYMIPNSYMJQU-MAUKXSAKSA-N 1 0 344.411 3.302 20 5 EGBDRO CC(C)(C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000819015550 1319614101 /nfs/dbraw/zinc/61/41/01/1319614101.db2.gz JXLVORSDQRBTRE-KRWDZBQOSA-N 1 0 332.375 3.335 20 5 EGBDRO CC(C)(C)c1csc(CC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000819017058 1319614519 /nfs/dbraw/zinc/61/45/19/1319614519.db2.gz BVZIHRXHPGYAOR-AWEZNQCLSA-N 1 0 349.456 3.215 20 5 EGBDRO CC(C)(C)c1csc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000819021021 1319616250 /nfs/dbraw/zinc/61/62/50/1319616250.db2.gz NCZCKEHRPPSDIL-ZDUSSCGKSA-N 1 0 335.429 3.172 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CC2(c3cccc(F)c3)CC2)c1 ZINC000819091994 1319633002 /nfs/dbraw/zinc/63/30/02/1319633002.db2.gz PILXVWCMBQWKJY-KRWDZBQOSA-N 1 0 330.359 3.089 20 5 EGBDRO O=[N+]([O-])c1cccc(CC[NH2+]C[C@H](O)c2ccc(Cl)c(F)c2)c1 ZINC000819189325 1319662187 /nfs/dbraw/zinc/66/21/87/1319662187.db2.gz AKXKCKWBCFFTGX-INIZCTEOSA-N 1 0 338.766 3.253 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2CCO[C@@H](c3ccccc3)C2)c1 ZINC000819236854 1319678057 /nfs/dbraw/zinc/67/80/57/1319678057.db2.gz XVLSUOULHOXZBE-QXAKKESOSA-N 1 0 342.395 3.138 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H]2C[C@H](c3cccc(F)c3)C2)cc1 ZINC000819284148 1319688292 /nfs/dbraw/zinc/68/82/92/1319688292.db2.gz YHLPMIWUCMWFBF-QGPMSJSTSA-N 1 0 330.359 3.303 20 5 EGBDRO C[C@@]1(CC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1(Cl)Cl ZINC000819350864 1319706999 /nfs/dbraw/zinc/70/69/99/1319706999.db2.gz STMKZGVDWMVSIF-CHWSQXEVSA-N 1 0 333.215 3.192 20 5 EGBDRO C[C@H]1CCC[N@H+](CCCCNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000917073301 1319749013 /nfs/dbraw/zinc/74/90/13/1319749013.db2.gz NEQXTNUQNGPDHX-ZDUSSCGKSA-N 1 0 336.392 3.427 20 5 EGBDRO CCCC[N@H+](Cn1cc(Br)c([N+](=O)[O-])n1)[C@H](C)CC ZINC000917615177 1319850609 /nfs/dbraw/zinc/85/06/09/1319850609.db2.gz HIKADUHQMCATDI-SNVBAGLBSA-N 1 0 333.230 3.412 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000822531661 1320095417 /nfs/dbraw/zinc/09/54/17/1320095417.db2.gz IIBGHNCGNYRMPW-CQSZACIVSA-N 1 0 346.431 3.432 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000824376652 1320252993 /nfs/dbraw/zinc/25/29/93/1320252993.db2.gz SGMFLSVAFSJYKI-LSDHHAIUSA-N 1 0 349.456 3.063 20 5 EGBDRO C[C@H]1C[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c2nccn21 ZINC000825017604 1320304439 /nfs/dbraw/zinc/30/44/39/1320304439.db2.gz VUEARLQCZJCLRR-SUMWQHHRSA-N 1 0 341.415 3.056 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C(=O)OC[C@H]2CCCC[N@@H+]2C(C)C)c1 ZINC000837466620 1320623599 /nfs/dbraw/zinc/62/35/99/1320623599.db2.gz AOYOKWDXGHODHD-CYBMUJFWSA-N 1 0 336.388 3.023 20 5 EGBDRO C[N@@H+]1CCC[C@H](CCNC(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000839095848 1320869055 /nfs/dbraw/zinc/86/90/55/1320869055.db2.gz PWFQMFLLSASVRT-LLVKDONJSA-N 1 0 340.811 3.102 20 5 EGBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C)CC2 ZINC000840409297 1321087622 /nfs/dbraw/zinc/08/76/22/1321087622.db2.gz IILZFLXZTPEAJZ-MJBXVCDLSA-N 1 0 331.416 3.054 20 5 EGBDRO CO[C@@](C)([C@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC000840858192 1321163490 /nfs/dbraw/zinc/16/34/90/1321163490.db2.gz AWXVCPFCGYTJEU-LIRRHRJNSA-N 1 0 347.459 3.357 20 5 EGBDRO CC[C@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@@H]1CC1(C)C ZINC000842165003 1321356307 /nfs/dbraw/zinc/35/63/07/1321356307.db2.gz ZLKQTWUIMKZJNH-JSGCOSHPSA-N 1 0 337.395 3.477 20 5 EGBDRO Cc1ccc(-c2noc(C[C@H](C)C3CC[NH2+]CC3)n2)cc1[N+](=O)[O-] ZINC000843178332 1321482192 /nfs/dbraw/zinc/48/21/92/1321482192.db2.gz BDCUMRQGIDMOJN-LBPRGKRZSA-N 1 0 330.388 3.131 20 5 EGBDRO Cc1cc(Cc2noc(C[C@H](C)[C@H]3CCC[NH2+]C3)n2)ccc1[N+](=O)[O-] ZINC000843192379 1321484583 /nfs/dbraw/zinc/48/45/83/1321484583.db2.gz TURHYNXAHDGYTA-WFASDCNBSA-N 1 0 344.415 3.055 20 5 EGBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000843753044 1321543976 /nfs/dbraw/zinc/54/39/76/1321543976.db2.gz IXHUVGVGFVNXPH-MRXNPFEDSA-N 1 0 345.374 3.075 20 5 EGBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000843766349 1321545531 /nfs/dbraw/zinc/54/55/31/1321545531.db2.gz OYHXCJPZCOFUJE-VXGBXAGGSA-N 1 0 337.395 3.035 20 5 EGBDRO Cc1nn(CN2CCC[C@H](OC(C)C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000844719480 1321639827 /nfs/dbraw/zinc/63/98/27/1321639827.db2.gz ZQTBESHTWHYWTA-HNNXBMFYSA-N 1 0 332.404 3.100 20 5 EGBDRO CC(C)OC(=O)C[C@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])C(C)C ZINC000847083138 1321839556 /nfs/dbraw/zinc/83/95/56/1321839556.db2.gz MSLLGGKBIPQSEZ-AWEZNQCLSA-N 1 0 326.368 3.190 20 5 EGBDRO C[C@@H]1CN(Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)CC2(CCC2)O1 ZINC000848489812 1321964928 /nfs/dbraw/zinc/96/49/28/1321964928.db2.gz SJIXNNXSELFQOP-CQSZACIVSA-N 1 0 342.399 3.059 20 5 EGBDRO C[C@@H](CC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000848533365 1321971364 /nfs/dbraw/zinc/97/13/64/1321971364.db2.gz HEMVWXORLYQJFD-WFASDCNBSA-N 1 0 349.431 3.475 20 5 EGBDRO CCc1ccc([C@H](O)C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000848548514 1321974242 /nfs/dbraw/zinc/97/42/42/1321974242.db2.gz HJMGVSHGUOHBOY-IEBWSBKVSA-N 1 0 326.396 3.468 20 5 EGBDRO C[C@H](Cc1ccccn1)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000848566178 1321978053 /nfs/dbraw/zinc/97/80/53/1321978053.db2.gz YIYYQKCDSUOHAU-OAHLLOKOSA-N 1 0 340.427 3.179 20 5 EGBDRO C[C@@H]1CCC[C@](CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)([NH+](C)C)C1 ZINC000920741998 1322216320 /nfs/dbraw/zinc/21/63/20/1322216320.db2.gz ACLQTIWDMAAMAO-SFYYLJEJSA-N 1 0 345.443 3.235 20 5 EGBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+][C@H]2C=CCC2)c1 ZINC000850359554 1322233325 /nfs/dbraw/zinc/23/33/25/1322233325.db2.gz KKOPQRMVFTZSHG-NSHDSACASA-N 1 0 344.152 3.008 20 5 EGBDRO C[C@H]([NH2+]C[C@H](O)c1cc(F)c(F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000850583994 1322274476 /nfs/dbraw/zinc/27/44/76/1322274476.db2.gz PMCSECBBLVFQRP-VFZGTOFNSA-N 1 0 340.301 3.396 20 5 EGBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@](O)(c3ccccc3)C2)c(F)c1 ZINC000859586350 1329027439 /nfs/dbraw/zinc/02/74/39/1329027439.db2.gz NGMFEUMDVRVAFI-GOSISDBHSA-N 1 0 330.359 3.218 20 5 EGBDRO COc1cccc(C2([NH2+]C[C@@H](O)c3ccc([N+](=O)[O-])cc3)CCC2)c1 ZINC000852693449 1323227595 /nfs/dbraw/zinc/22/75/95/1323227595.db2.gz HZQDCLPQRQNZNC-GOSISDBHSA-N 1 0 342.395 3.306 20 5 EGBDRO C[N@H+](C[C@H]1CC=CCC1)Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853507172 1325109500 /nfs/dbraw/zinc/10/95/00/1325109500.db2.gz UZPYFFHVOUOHNN-AWEZNQCLSA-N 1 0 327.388 3.099 20 5 EGBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000855160239 1325356385 /nfs/dbraw/zinc/35/63/85/1325356385.db2.gz QVSKNVVDJNFNGM-NSHDSACASA-N 1 0 339.823 3.098 20 5 EGBDRO COc1ccc(OCC[NH2+][C@@H](c2ccccn2)C2CC2)c([N+](=O)[O-])c1 ZINC000932377070 1329809900 /nfs/dbraw/zinc/80/99/00/1329809900.db2.gz HDESMFQTZIEDIZ-GOSISDBHSA-N 1 0 343.383 3.118 20 5 EGBDRO Cc1noc(C[C@@H]2CCC[N@H+](Cc3ccc(C)c([N+](=O)[O-])c3)C2)n1 ZINC000933565099 1329901262 /nfs/dbraw/zinc/90/12/62/1329901262.db2.gz MCTWUOVPHLRHAB-AWEZNQCLSA-N 1 0 330.388 3.049 20 5 EGBDRO CC(C)[NH+](CCCNC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)C(C)C ZINC000933943067 1329935088 /nfs/dbraw/zinc/93/50/88/1329935088.db2.gz DAYRWJYYZSHIEP-ZWKOTPCHSA-N 1 0 347.459 3.323 20 5 EGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCC(=O)Nc1ccccc1 ZINC000866266679 1330087994 /nfs/dbraw/zinc/08/79/94/1330087994.db2.gz OEZHOVIWQHGWPO-ZDUSSCGKSA-N 1 0 345.374 3.283 20 5 EGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H](C)C[C@H](O)c1ccco1 ZINC000866287839 1330091102 /nfs/dbraw/zinc/09/11/02/1330091102.db2.gz SEIPDEGZAHFNGH-WQGACYEGSA-N 1 0 336.363 3.360 20 5 EGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H](CO)c1cccc(F)c1 ZINC000866297258 1330092305 /nfs/dbraw/zinc/09/23/05/1330092305.db2.gz HWCQZEIAAMIHSK-BZNIZROVSA-N 1 0 336.338 3.127 20 5 EGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H](CO)c1ccc(F)cc1 ZINC000866297479 1330092517 /nfs/dbraw/zinc/09/25/17/1330092517.db2.gz KBAWAWULDHXHGH-ZBEGNZNMSA-N 1 0 336.338 3.127 20 5 EGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@]1(C)CCO[C@@H]1C1CC1 ZINC000866339342 1330098516 /nfs/dbraw/zinc/09/85/16/1330098516.db2.gz AHXRJOPFJLRHDW-NXOUGTEYSA-N 1 0 336.407 3.460 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000935979015 1330101873 /nfs/dbraw/zinc/10/18/73/1330101873.db2.gz YFPDCHHRZZVWHZ-SWLSCSKDSA-N 1 0 349.456 3.016 20 5 EGBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1SC ZINC000936023691 1330106549 /nfs/dbraw/zinc/10/65/49/1330106549.db2.gz SITQMLNWELFZAT-LBPRGKRZSA-N 1 0 339.461 3.167 20 5 EGBDRO CC[C@H](CNC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000867949138 1330231971 /nfs/dbraw/zinc/23/19/71/1330231971.db2.gz OVRDPHNJFKRMDG-AUUYWEPGSA-N 1 0 341.411 3.079 20 5 EGBDRO C[N@@H+](Cc1ccccc1[N+](=O)[O-])CC1CCN(C(=O)C2CCC2)CC1 ZINC001029923546 1341121337 /nfs/dbraw/zinc/12/13/37/1341121337.db2.gz LFHWCHLXIPGVTC-UHFFFAOYSA-N 1 0 345.443 3.065 20 5 EGBDRO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC001030011005 1341157358 /nfs/dbraw/zinc/15/73/58/1341157358.db2.gz SESNAPIHKZGPQD-UHFFFAOYSA-N 1 0 347.459 3.311 20 5 EGBDRO CCC(CC)C(=O)N1CC2(C1)CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001072479915 1355305854 /nfs/dbraw/zinc/30/58/54/1355305854.db2.gz LQKQTKBYVYMLQE-UHFFFAOYSA-N 1 0 345.443 3.065 20 5 EGBDRO O=C(N[C@H]1CC[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CC1)C1CC=CC1 ZINC001034612519 1342648019 /nfs/dbraw/zinc/64/80/19/1342648019.db2.gz SPOOOUSUPTVJKR-QAQDUYKDSA-N 1 0 343.427 3.078 20 5 EGBDRO O=[N+]([O-])c1cc(F)c(Br)c(O[C@H]2C[NH2+]CCC23CC3)c1 ZINC001218406754 1373608925 /nfs/dbraw/zinc/60/89/25/1373608925.db2.gz YPQCHCMJVDEYKF-NSHDSACASA-N 1 0 345.168 3.017 20 5 EGBDRO O=C(CC1CC1)N[C@H]1CC[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001050281073 1348226264 /nfs/dbraw/zinc/22/62/64/1348226264.db2.gz DAWZSCNHVQXBCY-JCNLHEQBSA-N 1 0 345.443 3.160 20 5 EGBDRO C[C@@H](Nc1ccc([N+](=O)[O-])c2nonc21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001323620918 1387409552 /nfs/dbraw/zinc/40/95/52/1387409552.db2.gz IODBLJRTQKRNQC-NEPJUHHUSA-N 1 0 345.403 3.196 20 5 EGBDRO CCCC1(C(=O)N2CCC([NH2+]Cc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001202398191 1369760315 /nfs/dbraw/zinc/76/03/15/1369760315.db2.gz KFXMKLISXKHDKG-UHFFFAOYSA-N 1 0 345.443 3.256 20 5 EGBDRO NC(=O)c1ccc(Nc2ccc3cc4ccc(N)cc4[nH+]c3c2)cn1 ZINC001203441275 1370127412 /nfs/dbraw/zinc/12/74/12/1370127412.db2.gz RRPLMIMZXVUOHW-UHFFFAOYSA-N 1 0 329.363 3.208 20 5 EGBDRO CC(C)=CC(=O)NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCCCC1 ZINC001115392450 1370428593 /nfs/dbraw/zinc/42/85/93/1370428593.db2.gz VQNLBSFAHCGVGJ-UHFFFAOYSA-N 1 0 345.443 3.470 20 5 EGBDRO CC(C)=CC(=O)NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CCCCC1 ZINC001115392500 1370429278 /nfs/dbraw/zinc/42/92/78/1370429278.db2.gz YTZBOTPTJDRFLT-UHFFFAOYSA-N 1 0 345.443 3.470 20 5 EGBDRO C/C=C(\C)C(=O)NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC001115472972 1370478728 /nfs/dbraw/zinc/47/87/28/1370478728.db2.gz IZGYZXDGWHWFOF-CRKCGEKBSA-N 1 0 345.443 3.470 20 5 EGBDRO [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC001122104186 1372175049 /nfs/dbraw/zinc/17/50/49/1372175049.db2.gz WPZFBMFPBDJPHT-XMTFNYHQSA-N 1 0 337.379 3.152 20 5 EGBDRO C[C@@H]1C[NH2+][C@@H](C)[C@@H](C)N1C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC001122263418 1372216153 /nfs/dbraw/zinc/21/61/53/1372216153.db2.gz JHMVDEYGTWFZIZ-OUAUKWLOSA-N 1 0 333.413 3.020 20 5 EGBDRO O[C@@H]1CNCC[N@H+](Cc2c3ccccc3c3cc4ccccc4oc2-3)C1 ZINC001210474167 1372361766 /nfs/dbraw/zinc/36/17/66/1372361766.db2.gz DUYSNPDGYYXJLU-MRXNPFEDSA-N 1 0 346.430 3.457 20 5 EGBDRO C[NH+]1CCN(c2ccccc2Nc2c(F)ccc([N+](=O)[O-])c2F)CC1 ZINC001215295365 1373196038 /nfs/dbraw/zinc/19/60/38/1373196038.db2.gz XYHIXFAWYCGCQX-UHFFFAOYSA-N 1 0 348.353 3.368 20 5 EGBDRO Cc1cccc(-c2nnc(C[C@H]([NH3+])Cc3ccc([N+](=O)[O-])cc3)o2)c1 ZINC001217716988 1373493562 /nfs/dbraw/zinc/49/35/62/1373493562.db2.gz RMHLLBQDEYNEKN-OAHLLOKOSA-N 1 0 338.367 3.066 20 5 EGBDRO Oc1cccc2cc3cccc(O)c3c(O[C@H]3C[NH2+]CC[C@@H]3F)c12 ZINC001217960303 1373520084 /nfs/dbraw/zinc/52/00/84/1373520084.db2.gz XKGIMZMLPWLKOW-BBRMVZONSA-N 1 0 327.355 3.483 20 5 EGBDRO O=[N+]([O-])c1cc(F)cc(Br)c1O[C@@H]1CCCC[NH2+]C1 ZINC001217973251 1373522680 /nfs/dbraw/zinc/52/26/80/1373522680.db2.gz HTPVBIPNCFILKW-SECBINFHSA-N 1 0 333.157 3.017 20 5 EGBDRO C[C@H]1C[NH2+]CCC[C@@H]1Oc1cc(Br)ccc1[N+](=O)[O-] ZINC001217986330 1373527261 /nfs/dbraw/zinc/52/72/61/1373527261.db2.gz LGOJBPRFXXNIST-CABZTGNLSA-N 1 0 329.194 3.124 20 5 EGBDRO C[C@H]1C[NH2+]CCC[C@H]1Oc1cnc2ccc(=O)n3c4ccccc4c1c23 ZINC001217992403 1373528591 /nfs/dbraw/zinc/52/85/91/1373528591.db2.gz AVNICIVYMQNKTI-SUMWQHHRSA-N 1 0 347.418 3.206 20 5 EGBDRO Cc1cc(Br)cc([N+](=O)[O-])c1O[C@@H]1CCC[NH2+]C[C@@H]1C ZINC001217990627 1373528961 /nfs/dbraw/zinc/52/89/61/1373528961.db2.gz JDDOSUHYEQCSNZ-GXFFZTMASA-N 1 0 343.221 3.433 20 5 EGBDRO C[C@H]1C[NH2+]CCC[C@@H]1Oc1cccc(Br)c1[N+](=O)[O-] ZINC001217994389 1373529753 /nfs/dbraw/zinc/52/97/53/1373529753.db2.gz SGUFVTCCFDVDAB-ONGXEEELSA-N 1 0 329.194 3.124 20 5 EGBDRO C[C@H]1C[NH2+]CCC[C@@H]1Oc1cc(N2CCCCC2)ccc1[N+](=O)[O-] ZINC001217996076 1373530420 /nfs/dbraw/zinc/53/04/20/1373530420.db2.gz PMNQQQCHTUXODD-YOEHRIQHSA-N 1 0 333.432 3.352 20 5 EGBDRO C[C@H](Oc1cc(Br)cc([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC001218005251 1373533928 /nfs/dbraw/zinc/53/39/28/1373533928.db2.gz IXKSKQSZKUWHTH-VIFPVBQESA-N 1 0 329.194 3.124 20 5 EGBDRO O=c1oc2cc(O[C@H]3CC[NH2+]CC[C@@H]3F)ccc2c2ccccc12 ZINC001218016095 1373538366 /nfs/dbraw/zinc/53/83/66/1373538366.db2.gz OTZSEAITXUGBNB-IRXDYDNUSA-N 1 0 327.355 3.415 20 5 EGBDRO C[C@H]1CC[NH2+]CC[C@@H]1Oc1c(Br)cccc1[N+](=O)[O-] ZINC001218028154 1373542145 /nfs/dbraw/zinc/54/21/45/1373542145.db2.gz SUBQQZBYSXSZEX-CABZTGNLSA-N 1 0 329.194 3.124 20 5 EGBDRO Cc1cc(Br)cc([N+](=O)[O-])c1O[C@H]1CC[NH2+][C@H](C)C1 ZINC001218054502 1373548831 /nfs/dbraw/zinc/54/88/31/1373548831.db2.gz BBELNXRQFZAFCF-KOLCDFICSA-N 1 0 329.194 3.185 20 5 EGBDRO O=[N+]([O-])c1cc(Br)ccc1O[C@H]1CCC[C@]12CC[NH2+]C2 ZINC001218089921 1373557698 /nfs/dbraw/zinc/55/76/98/1373557698.db2.gz BJLYJGLEDGSCCI-UONOGXRCSA-N 1 0 341.205 3.268 20 5 EGBDRO C[C@@H](Oc1ccccc1N1CC[NH2+]CC1)c1ccccc1[N+](=O)[O-] ZINC001218318341 1373594824 /nfs/dbraw/zinc/59/48/24/1373594824.db2.gz UEJQJSZNXCBQOM-CQSZACIVSA-N 1 0 327.384 3.144 20 5 EGBDRO C[C@@H]1CC[C@@H](Oc2c([N+](=O)[O-])cc(C(C)(C)C)cc2[N+](=O)[O-])C[NH2+]1 ZINC001218397422 1373606824 /nfs/dbraw/zinc/60/68/24/1373606824.db2.gz DMYVIYMNUAIOPE-ZYHUDNBSSA-N 1 0 337.376 3.320 20 5 EGBDRO O=[N+]([O-])c1cc(F)cc(Br)c1O[C@H]1C[NH2+]CCC12CC2 ZINC001218407043 1373608824 /nfs/dbraw/zinc/60/88/24/1373608824.db2.gz SEWQQDNBXPWIND-NSHDSACASA-N 1 0 345.168 3.017 20 5 EGBDRO C[C@@H]1CC[C@@H](Oc2c(F)cc(Br)cc2[N+](=O)[O-])C[NH2+]1 ZINC001218409966 1373609686 /nfs/dbraw/zinc/60/96/86/1373609686.db2.gz ZNAVIZMJLQXGFT-VXNVDRBHSA-N 1 0 333.157 3.016 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)c(Cl)cc1O[C@H]1C[NH2+]CCC1(F)F ZINC001218449303 1373614763 /nfs/dbraw/zinc/61/47/63/1373614763.db2.gz TVQDKGCTKDUPLD-JTQLQIEISA-N 1 0 327.114 3.278 20 5 EGBDRO O=c1c2ccc(O)cc2oc2cc(O[C@@H]3C[NH2+]CCC3(F)F)ccc12 ZINC001218454563 1373617096 /nfs/dbraw/zinc/61/70/96/1373617096.db2.gz RCDCDUSAHZBOPL-MRXNPFEDSA-N 1 0 347.317 3.028 20 5 EGBDRO CC1(C)C[C@H](Oc2ccc(OC(F)(F)F)cc2[N+](=O)[O-])CC[NH2+]1 ZINC001218470407 1373619971 /nfs/dbraw/zinc/61/99/71/1373619971.db2.gz CKDGNHMYJPWWLZ-SNVBAGLBSA-N 1 0 334.294 3.403 20 5 EGBDRO CC1(C)C[C@H](Oc2ccc([N+](=O)[O-])cc2Br)CC[NH2+]1 ZINC001218471819 1373620607 /nfs/dbraw/zinc/62/06/07/1373620607.db2.gz BRUFQRIAXSLJGC-SNVBAGLBSA-N 1 0 329.194 3.267 20 5 EGBDRO Cc1nonc1NC(=O)[C@@H]([NH3+])Cc1c2ccccc2cc2ccccc21 ZINC001218563980 1373633681 /nfs/dbraw/zinc/63/36/81/1373633681.db2.gz VQWMHSDSHKKAMP-SFHVURJKSA-N 1 0 346.390 3.193 20 5 EGBDRO O=C(NCCO[C@H]1CC[NH2+]C1)c1c2ccccc2cc2ccccc21 ZINC001220939287 1373766587 /nfs/dbraw/zinc/76/65/87/1373766587.db2.gz KJLGXKHVWGFLNU-KRWDZBQOSA-N 1 0 334.419 3.101 20 5 EGBDRO C[N@@H+]1CCC[C@H](Oc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC001226041308 1375193468 /nfs/dbraw/zinc/19/34/68/1375193468.db2.gz OQZDCRWVDQHAFO-NSHDSACASA-N 1 0 329.194 3.220 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(O[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC001226442497 1375259569 /nfs/dbraw/zinc/25/95/69/1375259569.db2.gz CJAPBOZKOTXEOL-MRXNPFEDSA-N 1 0 328.368 3.257 20 5 EGBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc2c(n1)CCN(Cc1ccccc1)C2 ZINC001226742125 1375322605 /nfs/dbraw/zinc/32/26/05/1375322605.db2.gz CQXVVCHWXZKUAA-KRWDZBQOSA-N 1 0 340.491 3.113 20 5 EGBDRO CC(C)[N@@H+]1CCC[C@@H](Oc2ccc(Br)nc2[N+](=O)[O-])C1 ZINC001227261310 1375413601 /nfs/dbraw/zinc/41/36/01/1375413601.db2.gz ZFBFWGXPWPOXJD-SNVBAGLBSA-N 1 0 344.209 3.004 20 5 EGBDRO CC(C)[N@@H+]1CC[C@H](Oc2ncnc3cc(Cl)c([N+](=O)[O-])cc32)C1 ZINC001227364182 1375422725 /nfs/dbraw/zinc/42/27/25/1375422725.db2.gz MYQRXZWLIYQXNC-JTQLQIEISA-N 1 0 336.779 3.053 20 5 EGBDRO COCC[NH+]1CCC(Oc2c(Cl)cc([N+](=O)[O-])cc2Cl)CC1 ZINC001228204304 1375527445 /nfs/dbraw/zinc/52/74/45/1375527445.db2.gz KDNNYPOSLVJSLQ-UHFFFAOYSA-N 1 0 349.214 3.391 20 5 EGBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1ccc([N+](=O)[O-])c(Br)c1)C2 ZINC001229080365 1375759195 /nfs/dbraw/zinc/75/91/95/1375759195.db2.gz FYRNKCSVQWALJP-PEGIJTEDSA-N 1 0 341.205 3.361 20 5 EGBDRO CSc1ccc(C(=O)c2nc(O[C@H](C)C[N+](C)(C)C)[nH]c2C)cc1 ZINC001230136526 1375949870 /nfs/dbraw/zinc/94/98/70/1375949870.db2.gz HFVJKKKOZRDZFJ-GFCCVEGCSA-O 1 0 348.492 3.145 20 5 EGBDRO CC[NH+]1CCC(Oc2cccc(Br)c2[N+](=O)[O-])CC1 ZINC001230325911 1375997699 /nfs/dbraw/zinc/99/76/99/1375997699.db2.gz AVIQUJBOSBJSRI-UHFFFAOYSA-N 1 0 329.194 3.220 20 5 EGBDRO C[NH+](C)C1CCC(Oc2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC001233746448 1376710406 /nfs/dbraw/zinc/71/04/06/1376710406.db2.gz ZQDVVXUPUCHTKH-UHFFFAOYSA-N 1 0 333.310 3.260 20 5 EGBDRO CS[C@H]1CC[C@H]([N@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC001327303747 1388492849 /nfs/dbraw/zinc/49/28/49/1388492849.db2.gz PLWQRVBOPPSFLA-STQMWFEESA-N 1 0 337.445 3.139 20 5 EGBDRO Nc1ccc2n(C(=O)CC[NH+]3CCCCC3)c3ccccc3cc-2c1=O ZINC001142919124 1378509450 /nfs/dbraw/zinc/50/94/50/1378509450.db2.gz JDKXSFHRSTYECC-UHFFFAOYSA-N 1 0 349.434 3.205 20 5 EGBDRO c1ncn(-c2ccc3ccc4cccnc4c3n2)c1C1CC[NH2+]CC1 ZINC001155054249 1380399359 /nfs/dbraw/zinc/39/93/59/1380399359.db2.gz VXBUJCLKDNVJOL-UHFFFAOYSA-N 1 0 329.407 3.436 20 5 EGBDRO C[NH+](C)CCC(C)(C)NC(=O)c1ccnc2c1ccc1cccnc12 ZINC001155819068 1380494792 /nfs/dbraw/zinc/49/47/92/1380494792.db2.gz SKYDWWXLFBPHNX-UHFFFAOYSA-N 1 0 336.439 3.243 20 5 EGBDRO C[C@H](C[NH+](C)C)Nc1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)nn1 ZINC001155923947 1380505665 /nfs/dbraw/zinc/50/56/65/1380505665.db2.gz OZJWHNXGSLBNJC-SNVBAGLBSA-N 1 0 335.795 3.067 20 5 EGBDRO C[N@@H+]1CCC[C@@H](CCNC(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)C1 ZINC001156379953 1380568044 /nfs/dbraw/zinc/56/80/44/1380568044.db2.gz XQIXIQIVCNZZFC-JTQLQIEISA-N 1 0 348.781 3.014 20 5 EGBDRO CN(c1cc2ccc(Cl)nc2cc1[N+](=O)[O-])[C@@]1(C)CCC[NH2+]C1 ZINC001156976402 1380741885 /nfs/dbraw/zinc/74/18/85/1380741885.db2.gz GJNIAHYBOQCEKK-INIZCTEOSA-N 1 0 334.807 3.375 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(N(Cc2ccccc2)[C@H]2CCC[NH2+]C2)n1 ZINC001157433862 1380891023 /nfs/dbraw/zinc/89/10/23/1380891023.db2.gz JAICGRIFMHZZNG-KRWDZBQOSA-N 1 0 340.427 3.365 20 5 EGBDRO C[NH+](C)[C@H]1CCCC[C@@H]1Nc1cc2ncnc(Cl)c2cc1[N+](=O)[O-] ZINC001157797652 1381036288 /nfs/dbraw/zinc/03/62/88/1381036288.db2.gz VPQRPMZEJAFETN-FZMZJTMJSA-N 1 0 349.822 3.476 20 5 EGBDRO CC(C)(C)CN(c1nccc(Cl)c1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC001157883586 1381059008 /nfs/dbraw/zinc/05/90/08/1381059008.db2.gz UCEDOIYWSTYRFC-UHFFFAOYSA-N 1 0 326.828 3.248 20 5 EGBDRO Cc1scc(C(=O)NCCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1C ZINC001158783967 1381397435 /nfs/dbraw/zinc/39/74/35/1381397435.db2.gz UGTOZONAESSDIH-UHFFFAOYSA-N 1 0 347.440 3.183 20 5 EGBDRO O=[N+]([O-])c1cc2c(Cl)ncnc2cc1NCC12CC[NH+](CC1)CC2 ZINC001158824003 1381418640 /nfs/dbraw/zinc/41/86/40/1381418640.db2.gz JCEMZVLXDXKQTR-UHFFFAOYSA-N 1 0 347.806 3.089 20 5 EGBDRO O=C(NCCC1=CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC1)C1CCC1 ZINC001159089417 1381577831 /nfs/dbraw/zinc/57/78/31/1381577831.db2.gz QSGGNSDYWOMPFN-UHFFFAOYSA-N 1 0 343.427 3.033 20 5 EGBDRO Cc1nc(Cl)nc(NC2CC(C)(C)[NH+](C)C(C)(C)C2)c1[N+](=O)[O-] ZINC001159391458 1381784118 /nfs/dbraw/zinc/78/41/18/1381784118.db2.gz JBSGFYRGDQNMLJ-UHFFFAOYSA-N 1 0 341.843 3.410 20 5 EGBDRO C/C=C(\C)C(=O)NCCC1=CC[N@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001159759702 1381892473 /nfs/dbraw/zinc/89/24/73/1381892473.db2.gz DPZCGHTUUDJXEA-CRKCGEKBSA-N 1 0 343.427 3.199 20 5 EGBDRO O=[N+]([O-])c1ccc(Nc2cccc(N3CC[NH2+]CC3)c2)c(Cl)c1 ZINC001159857918 1381921269 /nfs/dbraw/zinc/92/12/69/1381921269.db2.gz GDXNOEJJWVKAJC-UHFFFAOYSA-N 1 0 332.791 3.401 20 5 EGBDRO [NH3+][C@H]1CCc2c3ccccc3n(-c3ncc(Cl)cc3[N+](=O)[O-])c2C1 ZINC001159948210 1381946434 /nfs/dbraw/zinc/94/64/34/1381946434.db2.gz SPMXIWKMTNSZGF-NSHDSACASA-N 1 0 342.786 3.403 20 5 EGBDRO [NH3+][C@H]1CCc2c3ccccc3n(-c3cc([N+](=O)[O-])c4cc[nH]c4n3)c2C1 ZINC001159947504 1381946464 /nfs/dbraw/zinc/94/64/64/1381946464.db2.gz DABSPBSCEFNQCD-NSHDSACASA-N 1 0 347.378 3.231 20 5 EGBDRO [NH3+][C@@H]1CCN(c2c(F)cccc2Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC001160121729 1382004519 /nfs/dbraw/zinc/00/45/19/1382004519.db2.gz OIQWFLJATVCURF-LLVKDONJSA-N 1 0 334.326 3.154 20 5 EGBDRO O=[N+]([O-])c1ccc(Nc2cccc3c2[C@@H]2C[NH2+]C[C@H]2O3)c(Cl)c1 ZINC001160397413 1382093464 /nfs/dbraw/zinc/09/34/64/1382093464.db2.gz HDMPOLWZNQBVNZ-MEBBXXQBSA-N 1 0 331.759 3.440 20 5 EGBDRO Cc1c(C)c(NC2CC[NH+](Cc3ccncc3)CC2)ncc1[N+](=O)[O-] ZINC001161104148 1382298039 /nfs/dbraw/zinc/29/80/39/1382298039.db2.gz MDFMARWCTYEUFQ-UHFFFAOYSA-N 1 0 341.415 3.078 20 5 EGBDRO c1cnc2c(c1)ccc1ccc(NC3CCN([C@@H]4CC[NH2+]C4)CC3)nc12 ZINC001161464882 1382415957 /nfs/dbraw/zinc/41/59/57/1382415957.db2.gz SVLIRROPVUQQEP-GOSISDBHSA-N 1 0 347.466 3.021 20 5 EGBDRO C[C@@H]1C[NH2+]CCC[C@H]1CNc1ncc(F)c2cc([N+](=O)[O-])ccc21 ZINC001162461881 1382764048 /nfs/dbraw/zinc/76/40/48/1382764048.db2.gz RPSLCFVSXOWJRL-NEPJUHHUSA-N 1 0 332.379 3.330 20 5 EGBDRO CSc1nc(Cl)c([N+](=O)[O-])c(Nc2ccc(C[NH3+])c(F)c2)n1 ZINC001162522895 1382780250 /nfs/dbraw/zinc/78/02/50/1382780250.db2.gz VMHWHUOQAOSTKX-UHFFFAOYSA-N 1 0 343.771 3.102 20 5 EGBDRO O=[N+]([O-])c1cc(F)cc2ccc(NC[C@@]3(F)CCCC[NH2+]C3)nc21 ZINC001162579305 1382796995 /nfs/dbraw/zinc/79/69/95/1382796995.db2.gz BFTULGSTGAUFER-MRXNPFEDSA-N 1 0 336.342 3.176 20 5 EGBDRO C[C@@H]([NH3+])c1nc2ccccc2n1-c1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC001162762469 1382862738 /nfs/dbraw/zinc/86/27/38/1382862738.db2.gz HZHNZQFNBMVNNV-LLVKDONJSA-N 1 0 337.383 3.227 20 5 EGBDRO O=[N+]([O-])c1cccc2c1ccnc2N[C@H]1C[NH2+]Cc2ccsc21 ZINC001163220259 1382995356 /nfs/dbraw/zinc/99/53/56/1382995356.db2.gz NJCCEEZYLYRHRB-ZDUSSCGKSA-N 1 0 326.381 3.461 20 5 EGBDRO O=[N+]([O-])c1cnc(NC2CC[NH+](C[C@H]3CC=CCC3)CC2)c(F)c1 ZINC001163315707 1383019611 /nfs/dbraw/zinc/01/96/11/1383019611.db2.gz QPQGCMAOERWZSZ-ZDUSSCGKSA-N 1 0 334.395 3.362 20 5 EGBDRO c1cnc2c(c1)cc(N[C@@H]1CCO[C@@]3(CC[NH2+]C3)C1)c1cccnc12 ZINC001163328944 1383023722 /nfs/dbraw/zinc/02/37/22/1383023722.db2.gz UIMRCXSGQVNQPG-QRWLVFNGSA-N 1 0 334.423 3.106 20 5 EGBDRO [NH3+]CC1(c2ccccc2)CCN(c2cc(Cl)cc([N+](=O)[O-])n2)CC1 ZINC001164435608 1383186370 /nfs/dbraw/zinc/18/63/70/1383186370.db2.gz KGDUFUYMBUJFNG-UHFFFAOYSA-N 1 0 346.818 3.140 20 5 EGBDRO CC(C)c1ccoc1C(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001164492131 1383193237 /nfs/dbraw/zinc/19/32/37/1383193237.db2.gz VPIGEZJFERQRDS-UHFFFAOYSA-N 1 0 345.399 3.221 20 5 EGBDRO C[NH+]1CCC(C2CCN(c3cc([N+](=O)[O-])c4cc[nH]c4n3)CC2)CC1 ZINC001165065880 1383220401 /nfs/dbraw/zinc/22/04/01/1383220401.db2.gz PNOLJTAJUNIIQH-UHFFFAOYSA-N 1 0 343.431 3.029 20 5 EGBDRO O=[N+]([O-])c1ccc2ccc(N3CCCCC34CC[NH2+]CC4)nc2c1 ZINC001165335069 1383276169 /nfs/dbraw/zinc/27/61/69/1383276169.db2.gz LIOYSIMFIDULQB-UHFFFAOYSA-N 1 0 326.400 3.256 20 5 EGBDRO COc1cc(-n2cc(CC[NH3+])c3cc(O)ccc32)cc([N+](=O)[O-])c1C ZINC001167985309 1383787810 /nfs/dbraw/zinc/78/78/10/1383787810.db2.gz DYMFGIFIWIOKDY-UHFFFAOYSA-N 1 0 341.367 3.063 20 5 EGBDRO Cc1c(F)cc([N+](=O)[O-])cc1-n1cc(CC[NH3+])c2cc(O)ccc21 ZINC001167990563 1383789966 /nfs/dbraw/zinc/78/99/66/1383789966.db2.gz WLSFHTWJRXUZOW-UHFFFAOYSA-N 1 0 329.331 3.193 20 5 EGBDRO CC1(Nc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)CC[NH2+]CC1 ZINC001168186611 1383838285 /nfs/dbraw/zinc/83/82/85/1383838285.db2.gz FKRBJUXSCJZIKE-UHFFFAOYSA-N 1 0 342.399 3.123 20 5 EGBDRO Cc1ncn(-c2ccc([N+](=O)[O-])c3ccccc32)c1CSCC[NH3+] ZINC001168798023 1384009355 /nfs/dbraw/zinc/00/93/55/1384009355.db2.gz SJUPNEDRIINSST-UHFFFAOYSA-N 1 0 342.424 3.434 20 5 EGBDRO COc1ccc(OC(F)(F)F)cc1C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168970908 1384074411 /nfs/dbraw/zinc/07/44/11/1384074411.db2.gz JGQQENFWNUFPPU-ZYHUDNBSSA-N 1 0 348.321 3.129 20 5 EGBDRO C[C@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)C(=O)Nc1ccc2ccccc2c1 ZINC001168978167 1384077068 /nfs/dbraw/zinc/07/70/68/1384077068.db2.gz PFKYPIFCATWAJJ-GRDNDAEWSA-N 1 0 341.411 3.202 20 5 EGBDRO O=C(C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccc(Cl)c(Cl)c1 ZINC001168983651 1384079574 /nfs/dbraw/zinc/07/95/74/1384079574.db2.gz KHCRKZJCWQISQT-ONGXEEELSA-N 1 0 331.199 3.211 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H](c2cccc(F)c2)C2CCOCC2)C1 ZINC001168986111 1384079636 /nfs/dbraw/zinc/07/96/36/1384079636.db2.gz VXCCPUZIZPACAS-FSPWUOQZSA-N 1 0 336.407 3.328 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+][C@@H]2CCc3ccc(Br)cc32)C1 ZINC001169004375 1384085142 /nfs/dbraw/zinc/08/51/42/1384085142.db2.gz QSJXYVFLOOUOBZ-PSOPSSQASA-N 1 0 339.233 3.471 20 5 EGBDRO COc1cc(C)ccc1OC1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169036438 1384096142 /nfs/dbraw/zinc/09/61/42/1384096142.db2.gz FWQKLCKCHSTZHB-HOTGVXAUSA-N 1 0 348.443 3.292 20 5 EGBDRO CC(=O)C1(c2ccccc2)CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169038005 1384097087 /nfs/dbraw/zinc/09/70/87/1384097087.db2.gz UZXBJKZLYKZBQL-FUHWJXTLSA-N 1 0 330.428 3.055 20 5 EGBDRO COC(=O)c1cccc([C@@H]2CCC[N@@H+]2[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001169056314 1384101606 /nfs/dbraw/zinc/10/16/06/1384101606.db2.gz RMUDJPHSQDFMCU-XYPHTWIQSA-N 1 0 332.400 3.056 20 5 EGBDRO O=C1CC2(CC[NH+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)c2ccccc21 ZINC001169056349 1384101930 /nfs/dbraw/zinc/10/19/30/1384101930.db2.gz SJGXPFIHVOHWOW-CABCVRRESA-N 1 0 328.412 3.052 20 5 EGBDRO COc1ccc2c(c1)c(CC[NH3+])c(C)n2-c1cc([N+](=O)[O-])c(C)cn1 ZINC001169173784 1384119042 /nfs/dbraw/zinc/11/90/42/1384119042.db2.gz NFRPYRSKPQQWLT-UHFFFAOYSA-N 1 0 340.383 3.060 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)c(F)cnc2NCC12CC[NH+](CC1)CC2 ZINC001169794220 1384186665 /nfs/dbraw/zinc/18/66/65/1384186665.db2.gz IGOCFJGEUZYNLN-UHFFFAOYSA-N 1 0 330.363 3.180 20 5 EGBDRO COc1cccc(C[NH2+][C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])c1 ZINC001170293096 1384284001 /nfs/dbraw/zinc/28/40/01/1384284001.db2.gz KNAVUGLYQONGES-ZDUSSCGKSA-N 1 0 330.384 3.333 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+]CCCc2ccncc2)c([N+](=O)[O-])c1 ZINC001170297378 1384285291 /nfs/dbraw/zinc/28/52/91/1384285291.db2.gz NGSCUVPQWBTYSF-AWEZNQCLSA-N 1 0 329.400 3.152 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+][C@H](C)c2ccc(F)cn2)c([N+](=O)[O-])c1 ZINC001170307465 1384287291 /nfs/dbraw/zinc/28/72/91/1384287291.db2.gz GEHWQCHXICEISD-NWDGAFQWSA-N 1 0 333.363 3.419 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+]Cc2ccc3ocnc3c2)c([N+](=O)[O-])c1 ZINC001170313820 1384288423 /nfs/dbraw/zinc/28/84/23/1384288423.db2.gz RPLHSRTWIKVXLI-LBPRGKRZSA-N 1 0 341.367 3.465 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+]Cc2cccc(OC)c2F)c([N+](=O)[O-])c1 ZINC001170317285 1384289469 /nfs/dbraw/zinc/28/94/69/1384289469.db2.gz DVUHULBXUGKUQM-LBPRGKRZSA-N 1 0 348.374 3.472 20 5 EGBDRO COc1ccc(C[C@H](C)N2C[C@H](C[NH3+])c3ccccc32)c([N+](=O)[O-])c1 ZINC001170315316 1384289478 /nfs/dbraw/zinc/28/94/78/1384289478.db2.gz XBXWRSSCEGLCDJ-ZFWWWQNUSA-N 1 0 341.411 3.097 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+]CCC2CCC(O)CC2)c([N+](=O)[O-])c1 ZINC001170316975 1384289481 /nfs/dbraw/zinc/28/94/81/1384289481.db2.gz AXLPNGQOJWDGQE-HLIUYOAVSA-N 1 0 336.432 3.065 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+]CCOC2CCCCC2)c([N+](=O)[O-])c1 ZINC001170317763 1384289702 /nfs/dbraw/zinc/28/97/02/1384289702.db2.gz LEBJFMUBHZCADS-CQSZACIVSA-N 1 0 336.432 3.473 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2cn(C(C)C)cn2)c([N+](=O)[O-])c1 ZINC001170321349 1384290898 /nfs/dbraw/zinc/29/08/98/1384290898.db2.gz AQILHDDPYDFILK-CYBMUJFWSA-N 1 0 332.404 3.102 20 5 EGBDRO COc1ccc(C[C@H](C)[N@@H+]2CC[C@@H](C)[C@@](C)(O)CC2)c([N+](=O)[O-])c1 ZINC001170329517 1384293032 /nfs/dbraw/zinc/29/30/32/1384293032.db2.gz QIWMSNWGCSVVMP-GLJUWKHASA-N 1 0 336.432 3.017 20 5 EGBDRO COc1ccc(C[C@@H](C)[N@@H+]2CC[C@]3(C2)CCCCO3)c([N+](=O)[O-])c1 ZINC001170334477 1384293563 /nfs/dbraw/zinc/29/35/63/1384293563.db2.gz FLHHERIGBRYFHS-KDOFPFPSSA-N 1 0 334.416 3.179 20 5 EGBDRO COc1ccc(C[C@@H](C)n2ccnc2[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001170353092 1384299003 /nfs/dbraw/zinc/29/90/03/1384299003.db2.gz VQRRDNRIVBPPLI-HIFRSBDPSA-N 1 0 344.415 3.071 20 5 EGBDRO Cc1ccc2c(C[C@@H](C)[NH3+])cn(-c3ccc4ncc([N+](=O)[O-])n4c3)c2c1 ZINC001171170207 1384459463 /nfs/dbraw/zinc/45/94/63/1384459463.db2.gz VMPYZILHAXMCTA-CYBMUJFWSA-N 1 0 349.394 3.385 20 5 EGBDRO Cc1cc([N+](=O)[O-])cc(NCc2ccccc2N2CC[NH2+]CC2)c1F ZINC001171283369 1384485116 /nfs/dbraw/zinc/48/51/16/1384485116.db2.gz CKOGBMOULCJGJN-UHFFFAOYSA-N 1 0 344.390 3.064 20 5 EGBDRO [NH3+]Cc1ccc2cn(-c3ccc4cc(F)cc([N+](=O)[O-])c4n3)nc2c1 ZINC001171321923 1384494735 /nfs/dbraw/zinc/49/47/35/1384494735.db2.gz PXGOLVLVTXCCIX-UHFFFAOYSA-N 1 0 337.314 3.080 20 5 EGBDRO Cc1ncsc1CC[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172900312 1384874351 /nfs/dbraw/zinc/87/43/51/1384874351.db2.gz CKOLLHUARZAUAB-HNNXBMFYSA-N 1 0 331.441 3.439 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CCCC3(C1)OCCO3)CC2 ZINC001172904570 1384875416 /nfs/dbraw/zinc/87/54/16/1384875416.db2.gz YGEBFLAEJLGMJO-IAGOWNOFSA-N 1 0 346.427 3.118 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1CCN3CCCC[C@H]3C1)CC2 ZINC001172911315 1384876010 /nfs/dbraw/zinc/87/60/10/1384876010.db2.gz SGGQQSBONOQAQZ-HKUYNNGSSA-N 1 0 329.444 3.012 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]C[C@H](O)c1ccccc1F)CC2 ZINC001172913126 1384877079 /nfs/dbraw/zinc/87/70/79/1384877079.db2.gz TZLOWCARQPJOHC-KXBFYZLASA-N 1 0 344.386 3.305 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@H](CO)c1cccs1)CC2 ZINC001172913253 1384877235 /nfs/dbraw/zinc/87/72/35/1384877235.db2.gz VDCYTYCVJXMDSS-GOEBONIOSA-N 1 0 332.425 3.227 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1CC[C@@]3(C1)CCCOC3)CC2 ZINC001172920627 1384879257 /nfs/dbraw/zinc/87/92/57/1384879257.db2.gz LPOBTLHLPLMELM-PKOBYXMFSA-N 1 0 330.428 3.345 20 5 EGBDRO CCN(CC)[C@H]1CC[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172921326 1384879724 /nfs/dbraw/zinc/87/97/24/1384879724.db2.gz ONMWEYPEJNYPLN-MJGOQNOKSA-N 1 0 331.460 3.258 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H](n1ccnc1[C@H]1CCC[NH2+]C1)CC2 ZINC001172921785 1384879925 /nfs/dbraw/zinc/87/99/25/1384879925.db2.gz SZVWOGMJDVBBIG-IRXDYDNUSA-N 1 0 340.427 3.378 20 5 EGBDRO CC(C)[C@@H](C)[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173005245 1384897481 /nfs/dbraw/zinc/89/74/81/1384897481.db2.gz AAHNIBRYPKSDAJ-LLVKDONJSA-N 1 0 327.375 3.476 20 5 EGBDRO COc1ccccc1C[NH2+][C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173174874 1384931282 /nfs/dbraw/zinc/93/12/82/1384931282.db2.gz FCYGUPUSKLQGQN-LBPRGKRZSA-N 1 0 348.374 3.472 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@H](C)c2ccccn2)c1F ZINC001173176647 1384931731 /nfs/dbraw/zinc/93/17/31/1384931731.db2.gz LEPPERHNENZPHR-NWDGAFQWSA-N 1 0 333.363 3.419 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CCCc2cccnc2)c1F ZINC001173181075 1384932560 /nfs/dbraw/zinc/93/25/60/1384932560.db2.gz AQRIIRQZTURDGK-CYBMUJFWSA-N 1 0 347.390 3.291 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+](C)C[C@@H]2CCCCO2)c1F ZINC001173190487 1384933456 /nfs/dbraw/zinc/93/34/56/1384933456.db2.gz TVXBNUFEDFORQJ-STQMWFEESA-N 1 0 340.395 3.174 20 5 EGBDRO C[C@@H](C[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1)NC(=O)OC(C)(C)C ZINC001173209359 1384936581 /nfs/dbraw/zinc/93/65/81/1384936581.db2.gz BTYOAARMLFJNPB-STQMWFEESA-N 1 0 337.420 3.029 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](CO)Cc1ccc(Cl)cc1 ZINC001173214687 1384936999 /nfs/dbraw/zinc/93/69/99/1384936999.db2.gz DTEYJOLGYYPZJA-SUMWQHHRSA-N 1 0 348.830 3.372 20 5 EGBDRO COc1cccc(C(C)(C)C[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)n1 ZINC001173224499 1384938976 /nfs/dbraw/zinc/93/89/76/1384938976.db2.gz NNLMZGBTQIESNN-AWEZNQCLSA-N 1 0 343.427 3.497 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCCN(c2ccccn2)C1 ZINC001173224218 1384939016 /nfs/dbraw/zinc/93/90/16/1384939016.db2.gz MSOJUNFRNGRIDA-RDJZCZTQSA-N 1 0 340.427 3.179 20 5 EGBDRO COc1cccnc1C(C)(C)C[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173223403 1384939101 /nfs/dbraw/zinc/93/91/01/1384939101.db2.gz ILIXRIARJZCBEA-CQSZACIVSA-N 1 0 343.427 3.497 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H]([C@H](N)C(F)(F)F)C1 ZINC001173228255 1384939503 /nfs/dbraw/zinc/93/95/03/1384939503.db2.gz IJDPOSBQMQFBDF-KYOSRNDESA-N 1 0 345.365 3.127 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC1(c2ncccc2F)CC1 ZINC001173228168 1384939611 /nfs/dbraw/zinc/93/96/11/1384939611.db2.gz HYAXEMGFIXLYSG-ZDUSSCGKSA-N 1 0 329.375 3.381 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(C(=O)C(F)(F)F)CC1 ZINC001173226322 1384940336 /nfs/dbraw/zinc/94/03/36/1384940336.db2.gz IGBJUPWJZURMET-LLVKDONJSA-N 1 0 344.333 3.369 20 5 EGBDRO COc1ccc2c(c1)c(C[NH3+])nn2[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173229197 1384940778 /nfs/dbraw/zinc/94/07/78/1384940778.db2.gz LVWNTGJACHLNIP-LBPRGKRZSA-N 1 0 340.383 3.216 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H](O)c1ccc(F)c(F)c1 ZINC001173234980 1384942213 /nfs/dbraw/zinc/94/22/13/1384942213.db2.gz RLVWBWKNTMOEEY-APPDUMDISA-N 1 0 336.338 3.127 20 5 EGBDRO C[C@@H](CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)[NH+]1CCCCC1 ZINC001319016475 1385926755 /nfs/dbraw/zinc/92/67/55/1385926755.db2.gz NGTVTHSPODSZJF-AWEZNQCLSA-N 1 0 348.447 3.004 20 5 EGBDRO CC1(C)C(C)(C)C1(C)C(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001177541071 1385990474 /nfs/dbraw/zinc/99/04/74/1385990474.db2.gz ZZNLMBNFVXXAPG-UHFFFAOYSA-N 1 0 347.459 3.263 20 5 EGBDRO CC(C)(F)C(=O)NCCCCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001177746714 1386032694 /nfs/dbraw/zinc/03/26/94/1386032694.db2.gz PKIMPSNVICDBDG-UHFFFAOYSA-N 1 0 339.411 3.109 20 5 EGBDRO CC(C)(C)C(=O)NCCCCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001180127322 1386705583 /nfs/dbraw/zinc/70/55/83/1386705583.db2.gz UGUNCLPHCFTMSX-UHFFFAOYSA-N 1 0 335.448 3.407 20 5 EGBDRO CC(C)[N@@H+]1CC[C@@H](C(=O)Nc2cc3cccnc3c3ncccc23)C1 ZINC001181985248 1387087775 /nfs/dbraw/zinc/08/77/75/1387087775.db2.gz XJFVKLHAYJUEGF-OAHLLOKOSA-N 1 0 334.423 3.452 20 5 EGBDRO O=[N+]([O-])c1c2cccnc2ccc1N1CCCN(c2cc[nH+]cc2)CC1 ZINC001336826279 1389177626 /nfs/dbraw/zinc/17/76/26/1389177626.db2.gz QMLLPUWWCJOVDU-UHFFFAOYSA-N 1 0 349.394 3.255 20 5 EGBDRO C[C@@H]1C[C@@H](C)N(c2ncnc3c(Cl)cc([N+](=O)[O-])cc32)C[C@@H]1C[NH3+] ZINC001329674205 1389200287 /nfs/dbraw/zinc/20/02/87/1389200287.db2.gz XJYXKEQDSVNPLY-MXWKQRLJSA-N 1 0 349.822 3.001 20 5 EGBDRO NC(=O)COC1CC[NH+](Cc2c3ccccc3cc3ccccc32)CC1 ZINC001337041733 1389243043 /nfs/dbraw/zinc/24/30/43/1389243043.db2.gz BDZJTSFIFVCRLU-UHFFFAOYSA-N 1 0 348.446 3.459 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]CCC(=O)N2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC001337294695 1389296356 /nfs/dbraw/zinc/29/63/56/1389296356.db2.gz RTLXGSXFZXCPOL-ZFWWWQNUSA-N 1 0 333.432 3.202 20 5 EGBDRO CCC[N@@H+]1CC[C@H](Nc2ncnc3c(Cl)cc([N+](=O)[O-])cc23)C1 ZINC001330689975 1389499183 /nfs/dbraw/zinc/49/91/83/1389499183.db2.gz RRNSVMVEVHVTTG-JTQLQIEISA-N 1 0 335.795 3.088 20 5 EGBDRO CS[C@@H]1CC[C@H]([N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001331329255 1389703860 /nfs/dbraw/zinc/70/38/60/1389703860.db2.gz AGJOGGUGOPNRSE-LSDHHAIUSA-N 1 0 337.445 3.139 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H](C)CC(=O)OC(C)(C)C ZINC001333320239 1390283637 /nfs/dbraw/zinc/28/36/37/1390283637.db2.gz CVCPNOBPFKVHCA-VXGBXAGGSA-N 1 0 338.404 3.374 20 5 EGBDRO O=C(Nc1cccc2c1C[NH2+]C2)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC001340984664 1390419329 /nfs/dbraw/zinc/41/93/29/1390419329.db2.gz XMNQFYIZVQRYGZ-UHFFFAOYSA-N 1 0 338.367 3.025 20 5 EGBDRO C[C@@H](CNC(=O)c1ccc([C@H](C)[NH3+])cc1)c1ccccc1[N+](=O)[O-] ZINC001341317580 1390470297 /nfs/dbraw/zinc/47/02/97/1390470297.db2.gz KEBIGDQMUNUDOL-STQMWFEESA-N 1 0 327.384 3.148 20 5 EGBDRO CN1CC[C@@H]([NH2+]Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC001334807789 1390595508 /nfs/dbraw/zinc/59/55/08/1390595508.db2.gz JSSPUWOUNLIXET-GFCCVEGCSA-N 1 0 335.791 3.302 20 5 EGBDRO CCS[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC001334972308 1390627170 /nfs/dbraw/zinc/62/71/70/1390627170.db2.gz HFJATIDXAMZITK-GXTWGEPZSA-N 1 0 340.445 3.463 20 5 EGBDRO CCc1csc([C@@H](C)[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])n1 ZINC001335468923 1390688234 /nfs/dbraw/zinc/68/82/34/1390688234.db2.gz XRIFMMPONZSVOW-LLVKDONJSA-N 1 0 348.428 3.293 20 5 EGBDRO C[N@@H+]1CCC[C@H](CNC(=O)Nc2ccc([N+](=O)[O-])c3ccccc23)C1 ZINC001345466611 1390861386 /nfs/dbraw/zinc/86/13/86/1390861386.db2.gz RARARRPNLVDBGC-CYBMUJFWSA-N 1 0 342.399 3.211 20 5 EGBDRO Cc1cc(C(=O)N(C)CC[NH2+]Cc2cccc([N+](=O)[O-])c2)sc1C ZINC001753258375 1440343928 /nfs/dbraw/zinc/34/39/28/1440343928.db2.gz GOPXPUFYWWVMSS-UHFFFAOYSA-N 1 0 347.440 3.135 20 5 EGBDRO CC(C)(C)/C=C/C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001755467135 1440858389 /nfs/dbraw/zinc/85/83/89/1440858389.db2.gz NIBRRBCEULLWAM-VTRMWFIXSA-N 1 0 345.443 3.182 20 5 EGBDRO C[C@@H]1CN(c2cc3ccc(Cl)nc3cc2[N+](=O)[O-])[C@@H](C)C[N@@H+]1C ZINC001164634534 719254141 /nfs/dbraw/zinc/25/41/41/719254141.db2.gz MTJRFTWDEOBXLZ-MNOVXSKESA-N 1 0 334.807 3.325 20 5 EGBDRO O=[N+]([O-])c1cnc(N2CCCC[C@H]2CC[NH+]2CCCC2)c(Cl)c1 ZINC001165048779 721965348 /nfs/dbraw/zinc/96/53/48/721965348.db2.gz ZGNXHJYSPPCZLD-ZDUSSCGKSA-N 1 0 338.839 3.488 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@@H](CO)Cc1ccc(F)cc1 ZINC000893998790 1126125798 /nfs/dbraw/zinc/12/57/98/1126125798.db2.gz AHKJUDXUPPLSKM-OAHLLOKOSA-N 1 0 338.766 3.081 20 5 EGBDRO C[NH+](C)CCN(C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)C1CCCC1 ZINC000342949123 282088888 /nfs/dbraw/zinc/08/88/88/282088888.db2.gz MQQUFMSQWFQPDU-UHFFFAOYSA-N 1 0 344.415 3.023 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)N[C@@H]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000181812103 234333262 /nfs/dbraw/zinc/33/32/62/234333262.db2.gz WAMLREUQFHGCEB-DUVNUKRYSA-N 1 0 333.432 3.249 20 5 EGBDRO C[C@@](O)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)c1ccc(F)cc1 ZINC000184050424 235292825 /nfs/dbraw/zinc/29/28/25/235292825.db2.gz LBNHJIQGOFMELF-MRXNPFEDSA-N 1 0 338.766 3.385 20 5 EGBDRO CSCCCCC[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000186773135 236014966 /nfs/dbraw/zinc/01/49/66/236014966.db2.gz VMDXNXUDCYTSPH-ZDUSSCGKSA-N 1 0 339.461 3.435 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1[C@H](C)C[C@H]2CCCC[C@@H]21 ZINC000072663321 216290707 /nfs/dbraw/zinc/29/07/07/216290707.db2.gz OTRPGBRFHOQIIS-CPUCHLNUSA-N 1 0 331.416 3.495 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[N@@H+](C)C[C@@H]1C(C)C ZINC000191357970 239061935 /nfs/dbraw/zinc/06/19/35/239061935.db2.gz MHDUFQHHKBTZDQ-MRXNPFEDSA-N 1 0 334.420 3.016 20 5 EGBDRO C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000277637599 201303922 /nfs/dbraw/zinc/30/39/22/201303922.db2.gz CRJOBADYTSTUNX-BBRMVZONSA-N 1 0 349.431 3.330 20 5 EGBDRO C[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000194006090 240397403 /nfs/dbraw/zinc/39/74/03/240397403.db2.gz JUQMFKYKDGJYJF-ZWNOBZJWSA-N 1 0 325.796 3.355 20 5 EGBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000236796940 242360229 /nfs/dbraw/zinc/36/02/29/242360229.db2.gz NZFWVEUPVADMLC-GOSISDBHSA-N 1 0 341.411 3.422 20 5 EGBDRO CC[N@H+](C)C[C@H]1CCN(Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000072860624 203249668 /nfs/dbraw/zinc/24/96/68/203249668.db2.gz HNMNPVIGIOJUHP-OAHLLOKOSA-N 1 0 335.448 3.156 20 5 EGBDRO C[C@H]1SCCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1C ZINC000118420559 204275630 /nfs/dbraw/zinc/27/56/30/204275630.db2.gz FMWGDBJSUTZRNI-NXEZZACHSA-N 1 0 343.836 3.013 20 5 EGBDRO CSCC[C@H](C)[N@H+](C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000126481924 205059005 /nfs/dbraw/zinc/05/90/05/205059005.db2.gz BXWZPYXLDWDUJX-LBPRGKRZSA-N 1 0 339.461 3.305 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+]CCc2nnc3n2CCCCC3)cc1[N+](=O)[O-] ZINC000126609265 205065371 /nfs/dbraw/zinc/06/53/71/205065371.db2.gz JFXIODGSCAJFAS-CQSZACIVSA-N 1 0 343.431 3.114 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@@H](C)c1cccnc1 ZINC000127877336 205122323 /nfs/dbraw/zinc/12/23/23/205122323.db2.gz LYXJNKSBZINJFT-AWEZNQCLSA-N 1 0 342.399 3.320 20 5 EGBDRO Cc1c([C@@H](C)[NH2+]CCC(=O)N2CCCCCC2)cccc1[N+](=O)[O-] ZINC000129082285 205177777 /nfs/dbraw/zinc/17/77/77/205177777.db2.gz VHMHNTNUHUDNHM-OAHLLOKOSA-N 1 0 333.432 3.347 20 5 EGBDRO CCNC(=O)c1ccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000156551977 206085067 /nfs/dbraw/zinc/08/50/67/206085067.db2.gz AKGBDXPFEKNWEG-ZDUSSCGKSA-N 1 0 327.384 3.195 20 5 EGBDRO Cc1nc(C[C@@H]2CCC[N@@H+]([C@H](C)c3ccccc3[N+](=O)[O-])C2)no1 ZINC000266522376 248343808 /nfs/dbraw/zinc/34/38/08/248343808.db2.gz IVJMWXINGHYIKQ-OCCSQVGLSA-N 1 0 330.388 3.302 20 5 EGBDRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000173108599 206893972 /nfs/dbraw/zinc/89/39/72/206893972.db2.gz XVSKHOWSCOZOSU-HOTGVXAUSA-N 1 0 347.459 3.012 20 5 EGBDRO COc1cccc(NC(=O)CC[N@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000174724891 207050228 /nfs/dbraw/zinc/05/02/28/207050228.db2.gz FVUZXHFNLZDUOJ-UHFFFAOYSA-N 1 0 343.383 3.064 20 5 EGBDRO Cc1cccc(C(=O)NCC2CC[NH+](CCC(C)C)CC2)c1[N+](=O)[O-] ZINC000175170110 207099325 /nfs/dbraw/zinc/09/93/25/207099325.db2.gz UESHPCQRDBLSSR-UHFFFAOYSA-N 1 0 347.459 3.391 20 5 EGBDRO CCC[N@H+](C)C[C@H]1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000176271708 207209584 /nfs/dbraw/zinc/20/95/84/207209584.db2.gz NEPLTBQFNMJMAR-CYBMUJFWSA-N 1 0 325.840 3.412 20 5 EGBDRO C[C@H]1C[C@@H](NC(=O)c2csc([N+](=O)[O-])c2)C[N@@H+]1Cc1ccccc1 ZINC000177448177 207339008 /nfs/dbraw/zinc/33/90/08/207339008.db2.gz UEWMYFYZKVCROL-SWLSCSKDSA-N 1 0 345.424 3.049 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000179568448 207653019 /nfs/dbraw/zinc/65/30/19/207653019.db2.gz RLLVRWOTZBDPDF-UHFFFAOYSA-N 1 0 347.459 3.324 20 5 EGBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2CC[C@H](C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000119392985 221310913 /nfs/dbraw/zinc/31/09/13/221310913.db2.gz JSHZRWLQGOLKFQ-SFDCQRBFSA-N 1 0 349.431 3.345 20 5 EGBDRO Cc1cc(C)cc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000237634990 141011250 /nfs/dbraw/zinc/01/12/50/141011250.db2.gz FOFZCWXYLSFZPH-INIZCTEOSA-N 1 0 326.400 3.293 20 5 EGBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000346212351 141182098 /nfs/dbraw/zinc/18/20/98/141182098.db2.gz WYSMVZIFRSGNNK-NEPJUHHUSA-N 1 0 339.823 3.098 20 5 EGBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCCc2ccccc2C1 ZINC000346220195 141183065 /nfs/dbraw/zinc/18/30/65/141183065.db2.gz WFAOGMOYQFPYGP-AWEZNQCLSA-N 1 0 339.395 3.370 20 5 EGBDRO C[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)[C@H]1COc2ccccc21 ZINC000185615247 144116149 /nfs/dbraw/zinc/11/61/49/144116149.db2.gz GRRKGQONILQFHL-CXAGYDPISA-N 1 0 328.368 3.128 20 5 EGBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000344705534 144211928 /nfs/dbraw/zinc/21/19/28/144211928.db2.gz KKCONIVFGSGOTD-CQSZACIVSA-N 1 0 339.823 3.098 20 5 EGBDRO CCCN(CC[NH+](C)C)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000344867537 144233257 /nfs/dbraw/zinc/23/32/57/144233257.db2.gz SCFAIPNXGBTMCX-UHFFFAOYSA-N 1 0 335.429 3.223 20 5 EGBDRO CC[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000341222619 155211757 /nfs/dbraw/zinc/21/17/57/155211757.db2.gz YEAHVHKWYDAYAH-WMZOPIPTSA-N 1 0 330.384 3.075 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+](CC1CC1)CC1CC1 ZINC000115564667 152017468 /nfs/dbraw/zinc/01/74/68/152017468.db2.gz JRADUKFFVSIMJU-UHFFFAOYSA-N 1 0 331.416 3.354 20 5 EGBDRO C[C@@H](C1CC1)[N@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C1CC1 ZINC000117335234 152094373 /nfs/dbraw/zinc/09/43/73/152094373.db2.gz BYOMETKDBYFLJG-LBPRGKRZSA-N 1 0 345.399 3.156 20 5 EGBDRO CC[NH+]1CCN(c2cccc(NCc3ccccc3[N+](=O)[O-])c2)CC1 ZINC000191885642 153227591 /nfs/dbraw/zinc/22/75/91/153227591.db2.gz MGLAHOAKSCOLNR-UHFFFAOYSA-N 1 0 340.427 3.349 20 5 EGBDRO CCOC(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000194767807 153357154 /nfs/dbraw/zinc/35/71/54/153357154.db2.gz DSQMKMGWDMKCSW-LBPRGKRZSA-N 1 0 326.780 3.023 20 5 EGBDRO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCCC(C)(C)CC2)c([N+](=O)[O-])c1 ZINC000303947328 154060486 /nfs/dbraw/zinc/06/04/86/154060486.db2.gz UWYVVBMCYSQYAR-CYBMUJFWSA-N 1 0 349.431 3.443 20 5 EGBDRO C[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C[C@H]1CCCC[C@H]1O ZINC000305786793 154120728 /nfs/dbraw/zinc/12/07/28/154120728.db2.gz BEWJPAOVYHBXGG-RHSMWYFYSA-N 1 0 345.399 3.233 20 5 EGBDRO COc1cccc([C@@H](CNc2ccc([N+](=O)[O-])c(OC)c2)[NH+](C)C)c1 ZINC000327745924 154187817 /nfs/dbraw/zinc/18/78/17/154187817.db2.gz OQLDKYSWRUMQRM-QGZVFWFLSA-N 1 0 345.399 3.327 20 5 EGBDRO C[C@H]1CCCC[N@@H+]1CCCNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000336875567 154226346 /nfs/dbraw/zinc/22/63/46/154226346.db2.gz IOXCXXDZHBKRTN-NSHDSACASA-N 1 0 335.433 3.276 20 5 EGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCOC2(CCOCC2)C1 ZINC000358311885 156800750 /nfs/dbraw/zinc/80/07/50/156800750.db2.gz ZXIFEPXBPWVOAF-DOTOQJQBSA-N 1 0 348.443 3.234 20 5 EGBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000362081279 157013607 /nfs/dbraw/zinc/01/36/07/157013607.db2.gz VWFSTQACBLLPED-QWHCGFSZSA-N 1 0 349.456 3.063 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CC([C@H]3CCOC3)C2)o1 ZINC000365564213 157172479 /nfs/dbraw/zinc/17/24/79/157172479.db2.gz VPBCWCQNKSVVFI-ZDUSSCGKSA-N 1 0 328.368 3.323 20 5 EGBDRO CC(C)c1ccc(C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000372614677 157368668 /nfs/dbraw/zinc/36/86/68/157368668.db2.gz XYLKVKKQZFKLNQ-HNNXBMFYSA-N 1 0 331.416 3.029 20 5 EGBDRO CCCC[N@H+](CCOC)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000093322973 162003895 /nfs/dbraw/zinc/00/38/95/162003895.db2.gz UYCGPJYAYRRSMT-UHFFFAOYSA-N 1 0 346.431 3.244 20 5 EGBDRO COC(=O)[C@]1(C)CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000093813716 162030921 /nfs/dbraw/zinc/03/09/21/162030921.db2.gz OSDYUMSXBFCLLY-GOSISDBHSA-N 1 0 344.367 3.240 20 5 EGBDRO C[N@H+](CCc1ccc(Cl)cc1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000113266240 162206868 /nfs/dbraw/zinc/20/68/68/162206868.db2.gz ODKSFXDWJOUNKP-UHFFFAOYSA-N 1 0 347.802 3.022 20 5 EGBDRO CC[C@H]1CC[N@H+](Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C1 ZINC000125636801 162281656 /nfs/dbraw/zinc/28/16/56/162281656.db2.gz AIOYTIMLTDXGEN-JTQLQIEISA-N 1 0 330.331 3.437 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CCCC[C@H](C)C1 ZINC000248559514 163015262 /nfs/dbraw/zinc/01/52/62/163015262.db2.gz MDVZFRLWKKSPHU-QWHCGFSZSA-N 1 0 335.404 3.052 20 5 EGBDRO COC(=O)c1cc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c(C)s1 ZINC000338390949 163221612 /nfs/dbraw/zinc/22/16/12/163221612.db2.gz YDESBZIIADNLGU-UHFFFAOYSA-N 1 0 348.424 3.426 20 5 EGBDRO COc1ccc(-c2ccc(C[NH2+]C3CCOCC3)o2)c([N+](=O)[O-])c1 ZINC000338718136 163329804 /nfs/dbraw/zinc/32/98/04/163329804.db2.gz PTVINWDJPCUFNG-UHFFFAOYSA-N 1 0 332.356 3.132 20 5 EGBDRO C[NH+](C)C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000338764004 163342035 /nfs/dbraw/zinc/34/20/35/163342035.db2.gz XNBHFCISUFRVIS-INIZCTEOSA-N 1 0 347.802 3.281 20 5 EGBDRO C[NH+](C)CC1CCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000338915145 163383698 /nfs/dbraw/zinc/38/36/98/163383698.db2.gz XUGKOMKNEIECJE-UHFFFAOYSA-N 1 0 345.365 3.387 20 5 EGBDRO C[C@H]1C[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC(C)(C)C1 ZINC000344048565 164090587 /nfs/dbraw/zinc/09/05/87/164090587.db2.gz YZZIYPSTXSMCMX-CJNGLKHVSA-N 1 0 331.416 3.068 20 5 EGBDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1c[nH]nc1-c1ccsc1 ZINC000344087259 164100175 /nfs/dbraw/zinc/10/01/75/164100175.db2.gz HXROUBRBACDNSG-UHFFFAOYSA-N 1 0 328.397 3.379 20 5 EGBDRO CC[C@]1(C)CC[N@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000344219428 164129297 /nfs/dbraw/zinc/12/92/97/164129297.db2.gz PKQURSJNIMFSRB-QGZVFWFLSA-N 1 0 335.404 3.054 20 5 EGBDRO CC[N@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@H]1CCOC(C)(C)C1 ZINC000351933341 165156945 /nfs/dbraw/zinc/15/69/45/165156945.db2.gz CNNFBJXMXRFLGU-HNNXBMFYSA-N 1 0 349.431 3.121 20 5 EGBDRO Cc1cc(NC(=O)NC[C@@H](C)C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000352918256 165568008 /nfs/dbraw/zinc/56/80/08/165568008.db2.gz WVDMEOSGBHLZAP-CYBMUJFWSA-N 1 0 334.420 3.147 20 5 EGBDRO CCN(CCC[NH+]1CCCC1)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000357107195 166586151 /nfs/dbraw/zinc/58/61/51/166586151.db2.gz CCFNYBOJDOJQEO-UHFFFAOYSA-N 1 0 347.459 3.207 20 5 EGBDRO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)N1Cc2ccccc2C1 ZINC000359041059 167047152 /nfs/dbraw/zinc/04/71/52/167047152.db2.gz WZCKILURANHKSD-KBPBESRZSA-N 1 0 339.395 3.176 20 5 EGBDRO CCC1(CC)[C@H]([NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H]1OC ZINC000359429671 167154011 /nfs/dbraw/zinc/15/40/11/167154011.db2.gz RBHCZJZQRIVATJ-APHBMKBZSA-N 1 0 349.431 3.105 20 5 EGBDRO CO[C@@]1(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCOC1 ZINC000359665772 167205472 /nfs/dbraw/zinc/20/54/72/167205472.db2.gz XRPAKGBYZOKFJF-QGZVFWFLSA-N 1 0 348.424 3.218 20 5 EGBDRO COCCOc1cccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000360416499 167324726 /nfs/dbraw/zinc/32/47/26/167324726.db2.gz IPYOGGUIMNWWSK-AWEZNQCLSA-N 1 0 330.384 3.471 20 5 EGBDRO CC[N@H+](C)[C@H](C(=O)NCc1cccc([N+](=O)[O-])c1C)c1ccccc1 ZINC000360514008 167346011 /nfs/dbraw/zinc/34/60/11/167346011.db2.gz FFUWVGIPLRUKTO-SFHVURJKSA-N 1 0 341.411 3.212 20 5 EGBDRO CCOc1ccc(NC(=O)C[N@@H+]2CCCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000360615240 167369862 /nfs/dbraw/zinc/36/98/62/167369862.db2.gz WSMZIQZNKLNZKI-ZDUSSCGKSA-N 1 0 335.404 3.054 20 5 EGBDRO C[C@@H]1C[C@H](c2ccccc2)CC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000366868048 168150569 /nfs/dbraw/zinc/15/05/69/168150569.db2.gz LKQZFFHHVLWWDO-NVXWUHKLSA-N 1 0 341.411 3.025 20 5 EGBDRO Cc1n[nH]cc1C1CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000367446032 168227034 /nfs/dbraw/zinc/22/70/34/168227034.db2.gz BAIFHLVCBHVSHO-UHFFFAOYSA-N 1 0 344.415 3.275 20 5 EGBDRO Cn1nccc1[C@H]1CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000367467854 168231182 /nfs/dbraw/zinc/23/11/82/168231182.db2.gz XPZBIRDHBCQEET-RRGWEWPQSA-N 1 0 326.400 3.221 20 5 EGBDRO CC(C)[C@H]([NH3+])CNC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000157076341 264835056 /nfs/dbraw/zinc/83/50/56/264835056.db2.gz VNQCNQWFBXRYJV-MRXNPFEDSA-N 1 0 343.383 3.100 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000174191931 265031179 /nfs/dbraw/zinc/03/11/79/265031179.db2.gz WOJYFTSEEFIALK-HNNXBMFYSA-N 1 0 346.431 3.289 20 5 EGBDRO Cc1ccc([C@H](C)NC(=O)[C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000175459225 265116377 /nfs/dbraw/zinc/11/63/77/265116377.db2.gz CIJBUPIBLZTBBR-LJISPDSOSA-N 1 0 333.432 3.342 20 5 EGBDRO C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000178775028 265340868 /nfs/dbraw/zinc/34/08/68/265340868.db2.gz IWDWSPIUIWDMBT-RBSFLKMASA-N 1 0 333.432 3.205 20 5 EGBDRO CCC1(CC)[C@H]([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@H]1OC ZINC000191369927 265901511 /nfs/dbraw/zinc/90/15/11/265901511.db2.gz VZGSVWGYILBBHL-HZPDHXFCSA-N 1 0 349.431 3.025 20 5 EGBDRO COCC[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H](C)c1ccccc1 ZINC000269679008 266339058 /nfs/dbraw/zinc/33/90/58/266339058.db2.gz XTCGKEZSCVOPOE-BEFAXECRSA-N 1 0 344.411 3.338 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2COC3(CCCC3)O2)c(Cl)c1 ZINC000273094208 266974970 /nfs/dbraw/zinc/97/49/70/266974970.db2.gz TZYALLPLBHGGOY-CYBMUJFWSA-N 1 0 326.780 3.024 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000273276409 267011614 /nfs/dbraw/zinc/01/16/14/267011614.db2.gz XMKGGQSICJZACT-GOSISDBHSA-N 1 0 341.411 3.082 20 5 EGBDRO C[C@H](CNC(=O)OC(C)(C)C)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000274394652 267229005 /nfs/dbraw/zinc/22/90/05/267229005.db2.gz LMOGNHQXCQZWED-BUUCAEBMSA-N 1 0 335.404 3.111 20 5 EGBDRO CC(C)[C@@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000040089287 273544118 /nfs/dbraw/zinc/54/41/18/273544118.db2.gz IGGHNTIUDNJSIY-GOSISDBHSA-N 1 0 347.459 3.010 20 5 EGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000352822948 274278246 /nfs/dbraw/zinc/27/82/46/274278246.db2.gz IWOJGILCOVZBSG-SMDDNHRTSA-N 1 0 332.322 3.435 20 5 EGBDRO Cc1ccccc1NC(=O)C[C@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000123150055 274808038 /nfs/dbraw/zinc/80/80/38/274808038.db2.gz SUYQHGLUAAPHJH-HNNXBMFYSA-N 1 0 341.411 3.453 20 5 EGBDRO C[NH+](C)Cc1cccc(NC(=O)/C=C\c2ccccc2[N+](=O)[O-])c1 ZINC000047452780 275141733 /nfs/dbraw/zinc/14/17/33/275141733.db2.gz FPVGBOXHGHOHHV-KHPPLWFESA-N 1 0 325.368 3.308 20 5 EGBDRO Cc1c(NC(=O)NC[C@H](C)C[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000048053231 275144741 /nfs/dbraw/zinc/14/47/41/275144741.db2.gz IQUIFATWIPTVDD-ZDUSSCGKSA-N 1 0 334.420 3.147 20 5 EGBDRO O=[N+]([O-])c1cc(Br)ccc1OCC[NH+]1CCCCC1 ZINC000048760138 275147186 /nfs/dbraw/zinc/14/71/86/275147186.db2.gz KTRIUITUCSRAQZ-UHFFFAOYSA-N 1 0 329.194 3.222 20 5 EGBDRO CCOc1cc(C[N@@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)ccc1[N+](=O)[O-] ZINC000276898966 275253894 /nfs/dbraw/zinc/25/38/94/275253894.db2.gz LJDVGZPAWZJEQS-RHSMWYFYSA-N 1 0 344.415 3.273 20 5 EGBDRO CC(=O)Nc1ccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)cn1 ZINC000278987535 275293755 /nfs/dbraw/zinc/29/37/55/275293755.db2.gz DNLCRYMMCYKEIX-GFCCVEGCSA-N 1 0 328.372 3.107 20 5 EGBDRO CC(=O)N1CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)c2ccccc2C1 ZINC000366700581 275465505 /nfs/dbraw/zinc/46/55/05/275465505.db2.gz XILDRIHMCKUPFN-LJQANCHMSA-N 1 0 339.395 3.178 20 5 EGBDRO CC1(C)C[C@H]([NH2+][C@H]2CCC(=O)NC23CCC3)c2cc([N+](=O)[O-])ccc21 ZINC000282958092 275686902 /nfs/dbraw/zinc/68/69/02/275686902.db2.gz CJLFBJBVMDEOMH-HOTGVXAUSA-N 1 0 343.427 3.108 20 5 EGBDRO C[C@@H]([NH2+]C[C@@H](O)c1ccc(Cl)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283928026 275761291 /nfs/dbraw/zinc/76/12/91/275761291.db2.gz DXCLDLQHCPITFV-QLJPJBMISA-N 1 0 335.791 3.215 20 5 EGBDRO C[C@H]([NH2+]Cc1ccc2c(n1)CCCC2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285333978 275865746 /nfs/dbraw/zinc/86/57/46/275865746.db2.gz UJXGBDGBPYRGFD-LBPRGKRZSA-N 1 0 326.400 3.302 20 5 EGBDRO COCCCOc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000285448522 275876978 /nfs/dbraw/zinc/87/69/78/275876978.db2.gz GDTYGFNJDINMOC-UHFFFAOYSA-N 1 0 330.384 3.300 20 5 EGBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000286416240 275996930 /nfs/dbraw/zinc/99/69/30/275996930.db2.gz QRCQXWRGGMUDJH-YPMHNXCESA-N 1 0 341.358 3.259 20 5 EGBDRO CC[N@@H+]1CCCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 ZINC000133476136 276164145 /nfs/dbraw/zinc/16/41/45/276164145.db2.gz XOOYMXHACTZVNY-UHFFFAOYSA-N 1 0 333.432 3.060 20 5 EGBDRO C[NH+](C)CCCOc1cnccc1CNc1ccc(F)cc1[N+](=O)[O-] ZINC000288118874 276184380 /nfs/dbraw/zinc/18/43/80/276184380.db2.gz CNQMZZXSBLWRTI-UHFFFAOYSA-N 1 0 348.378 3.072 20 5 EGBDRO COC[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000289442097 276339607 /nfs/dbraw/zinc/33/96/07/276339607.db2.gz TYGIGPPHXKVPAP-OLZOCXBDSA-N 1 0 349.214 3.185 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000289723429 276383662 /nfs/dbraw/zinc/38/36/62/276383662.db2.gz IJAHCZHSBXKINA-UHFFFAOYSA-N 1 0 346.431 3.249 20 5 EGBDRO COc1ccc(C[NH2+][C@H]2CCCc3ccc(O)cc32)cc1[N+](=O)[O-] ZINC000291338909 276629176 /nfs/dbraw/zinc/62/91/76/276629176.db2.gz WGQBMWDJSWWTKQ-INIZCTEOSA-N 1 0 328.368 3.476 20 5 EGBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(C(=O)N(C)C)cc1 ZINC000292044721 276725681 /nfs/dbraw/zinc/72/56/81/276725681.db2.gz FMEHQKIYEGHWEZ-ZDUSSCGKSA-N 1 0 327.384 3.147 20 5 EGBDRO Cc1noc(C2CCC([NH2+]CCc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000292054433 276726877 /nfs/dbraw/zinc/72/68/77/276726877.db2.gz GFVMTGJFUPFEQW-UHFFFAOYSA-N 1 0 330.388 3.145 20 5 EGBDRO C[NH2+]CCC1CCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000070190130 277266265 /nfs/dbraw/zinc/26/62/65/277266265.db2.gz MWNJTRHZHKIKSJ-UHFFFAOYSA-N 1 0 342.237 3.183 20 5 EGBDRO CC(C)(C)c1ccc(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000171443666 277266637 /nfs/dbraw/zinc/26/66/37/277266637.db2.gz HVSGTATTWGQYEU-HNNXBMFYSA-N 1 0 345.443 3.203 20 5 EGBDRO CS[C@@H]1CN(c2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000349219503 278156824 /nfs/dbraw/zinc/15/68/24/278156824.db2.gz VZAFIWSJXYNWRS-LSDHHAIUSA-N 1 0 341.864 3.264 20 5 EGBDRO C[C@@H]1[C@H](NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CCC[N@@H+]1C ZINC000343511854 279125100 /nfs/dbraw/zinc/12/51/00/279125100.db2.gz JDOHZWFPHDBAJV-IUODEOHRSA-N 1 0 333.432 3.105 20 5 EGBDRO C[C@H](CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)[N@@H+]1CCCC[C@H]1C ZINC000339004319 279355332 /nfs/dbraw/zinc/35/53/32/279355332.db2.gz RDZLRNTVMOXHPK-CHWSQXEVSA-N 1 0 346.431 3.154 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000120277983 281261195 /nfs/dbraw/zinc/26/11/95/281261195.db2.gz DIJHSKVZRONYJB-KRWDZBQOSA-N 1 0 341.411 3.082 20 5 EGBDRO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1ccccc1F ZINC000068366680 307369917 /nfs/dbraw/zinc/36/99/17/307369917.db2.gz YPXOPNFYZWVCEX-UHFFFAOYSA-N 1 0 331.347 3.195 20 5 EGBDRO CC[NH+](CC)CCC[C@H](C)NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000075475960 307399971 /nfs/dbraw/zinc/39/99/71/307399971.db2.gz OMORBXAYCQMVPJ-RUMSDORHSA-N 1 0 333.432 3.235 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]C[C@H](CO)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000414312662 309072304 /nfs/dbraw/zinc/07/23/04/309072304.db2.gz NXVLVOSWWHPYQX-XJKSGUPXSA-N 1 0 332.375 3.469 20 5 EGBDRO CC[C@@H]1CCCC[C@@H]1[NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000163206099 307920654 /nfs/dbraw/zinc/92/06/54/307920654.db2.gz CFXICPQGOIYAFW-HIFRSBDPSA-N 1 0 347.415 3.451 20 5 EGBDRO CCCCNC(=O)[C@@H]1CCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000254975857 308036049 /nfs/dbraw/zinc/03/60/49/308036049.db2.gz VASRVGQDSKBUDJ-UXHZXRBQSA-N 1 0 345.443 3.236 20 5 EGBDRO C[N@@H+]1CCC[C@@]2(CCN(c3ccc([N+](=O)[O-])c(OC(F)F)c3)C2)C1 ZINC000292830922 308070413 /nfs/dbraw/zinc/07/04/13/308070413.db2.gz PTBXOXPPXNYYOO-MRXNPFEDSA-N 1 0 341.358 3.118 20 5 EGBDRO COc1cc(C[N@@H+]2CCC[C@H](CSC)C2)c([N+](=O)[O-])cc1OC ZINC000292872589 308074896 /nfs/dbraw/zinc/07/48/96/308074896.db2.gz WNZSSUCQIUIVSY-LBPRGKRZSA-N 1 0 340.445 3.187 20 5 EGBDRO COc1cc(C[N@@H+]2CCC[C@@H](CSC)C2)c([N+](=O)[O-])cc1OC ZINC000292872585 308074936 /nfs/dbraw/zinc/07/49/36/308074936.db2.gz WNZSSUCQIUIVSY-GFCCVEGCSA-N 1 0 340.445 3.187 20 5 EGBDRO CC(C)(C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)OCC1CC1 ZINC000414518532 309085993 /nfs/dbraw/zinc/08/59/93/309085993.db2.gz UZRSDVITBVXKTB-UHFFFAOYSA-N 1 0 344.358 3.491 20 5 EGBDRO CC(C)[N@H+](C)CCCNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000294286690 308206969 /nfs/dbraw/zinc/20/69/69/308206969.db2.gz BGGNCNSYQAXNBF-UHFFFAOYSA-N 1 0 347.337 3.074 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)Cc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000294394595 308217266 /nfs/dbraw/zinc/21/72/66/308217266.db2.gz CEBKPTHRHGUKRW-CXAGYDPISA-N 1 0 332.375 3.297 20 5 EGBDRO CC(C)NC(=O)[C@@H](C)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000414542865 309087668 /nfs/dbraw/zinc/08/76/68/309087668.db2.gz LSESUHYINKPFRW-GFCCVEGCSA-N 1 0 347.440 3.326 20 5 EGBDRO CC(C)(C)[NH+]1CCC(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000294756103 308253582 /nfs/dbraw/zinc/25/35/82/308253582.db2.gz DOJIADDMWNUYTN-UHFFFAOYSA-N 1 0 339.823 3.241 20 5 EGBDRO CS[C@@H]1CCN(c2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000294975846 308277959 /nfs/dbraw/zinc/27/79/59/308277959.db2.gz LMCXWLHQRGHNBU-CQSZACIVSA-N 1 0 330.413 3.302 20 5 EGBDRO C[C@H](CCO)CC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000295123925 308294181 /nfs/dbraw/zinc/29/41/81/308294181.db2.gz NQQXDVOTSLTSOT-LBPRGKRZSA-N 1 0 335.429 3.217 20 5 EGBDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000295332920 308315623 /nfs/dbraw/zinc/31/56/23/308315623.db2.gz UEOCWQJHMFSNOZ-NSHDSACASA-N 1 0 327.812 3.017 20 5 EGBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000295405893 308323380 /nfs/dbraw/zinc/32/33/80/308323380.db2.gz MOTWWWQWBZRSEJ-DOTOQJQBSA-N 1 0 333.432 3.239 20 5 EGBDRO Cc1nc(NC[C@H]2CCC[N@H+](Cc3cccs3)C2)ncc1[N+](=O)[O-] ZINC000295423729 308325377 /nfs/dbraw/zinc/32/53/77/308325377.db2.gz FFJYVKFDVXLHEG-CYBMUJFWSA-N 1 0 347.444 3.079 20 5 EGBDRO CCC[N@H+](CC)CCNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000295435324 308326619 /nfs/dbraw/zinc/32/66/19/308326619.db2.gz WVLXUIUQPLEBFE-UHFFFAOYSA-N 1 0 347.337 3.075 20 5 EGBDRO C[C@@H](c1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000295592962 308341710 /nfs/dbraw/zinc/34/17/10/308341710.db2.gz MQTCIBSQGACSKU-KBPBESRZSA-N 1 0 333.432 3.269 20 5 EGBDRO C[C@@H]1C[NH2+]CCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000414656867 309094063 /nfs/dbraw/zinc/09/40/63/309094063.db2.gz NTFFGVMUUJQRGD-LLVKDONJSA-N 1 0 335.791 3.302 20 5 EGBDRO Cc1nn2c(nc(C)c2C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000295980174 308381085 /nfs/dbraw/zinc/38/10/85/308381085.db2.gz JKFSWZWNJJKLOR-VIFPVBQESA-N 1 0 331.401 3.167 20 5 EGBDRO COc1ccc(-c2ccc(CN3CCCC[C@@H]3C[NH3+])o2)c([N+](=O)[O-])c1 ZINC000414653273 309093641 /nfs/dbraw/zinc/09/36/41/309093641.db2.gz HVAPIVOIGQSUSY-CYBMUJFWSA-N 1 0 345.399 3.177 20 5 EGBDRO C[C@@H](NC(=O)NCCCCC[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000296208697 308404439 /nfs/dbraw/zinc/40/44/39/308404439.db2.gz FAJZAKQAJOZYDU-OAHLLOKOSA-N 1 0 348.447 3.221 20 5 EGBDRO CCc1ccccc1[C@H]([NH3+])CNC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000414662357 309094364 /nfs/dbraw/zinc/09/43/64/309094364.db2.gz RCPSSIRMGNCTKG-MRXNPFEDSA-N 1 0 342.399 3.287 20 5 EGBDRO C[NH+]1CCC([C@H]2CCN(c3nccc4cc([N+](=O)[O-])ccc43)C2)CC1 ZINC000297483637 308538690 /nfs/dbraw/zinc/53/86/90/308538690.db2.gz LWQWTEKHSXKLSB-INIZCTEOSA-N 1 0 340.427 3.311 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(CNC3CC[NH2+]CC3)o2)c(Cl)c1 ZINC000414780473 309100613 /nfs/dbraw/zinc/10/06/13/309100613.db2.gz BEJVZYZQIMQEJG-UHFFFAOYSA-N 1 0 335.791 3.350 20 5 EGBDRO CN(c1ccccc1)c1ccc(CNC2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000414798227 309102100 /nfs/dbraw/zinc/10/21/00/309102100.db2.gz ZXBRIDNWVYQWCF-UHFFFAOYSA-N 1 0 340.427 3.204 20 5 EGBDRO CCCC[C@@H](C[NH3+])NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000414808991 309102686 /nfs/dbraw/zinc/10/26/86/309102686.db2.gz FWASDKFGHCLGCY-ZDUSSCGKSA-N 1 0 334.445 3.325 20 5 EGBDRO CC(=O)c1ccc(N2CC[NH+](C3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000301698677 308711508 /nfs/dbraw/zinc/71/15/08/308711508.db2.gz DHBWRRCTKQBFOH-UHFFFAOYSA-N 1 0 331.416 3.252 20 5 EGBDRO CN(CC1([NH+](C)C)CCC1)c1ccc([N+](=O)[O-])cc1Br ZINC000302521457 308738888 /nfs/dbraw/zinc/73/88/88/308738888.db2.gz XRNLNEURFUNMGR-UHFFFAOYSA-N 1 0 342.237 3.278 20 5 EGBDRO O=[N+]([O-])c1cnc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(C(F)(F)F)c1 ZINC000413060018 309013888 /nfs/dbraw/zinc/01/38/88/309013888.db2.gz IELZNQYTGLZDJJ-NXEZZACHSA-N 1 0 330.310 3.047 20 5 EGBDRO C[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2C(F)(F)F)C[N@@H+]1C1CC1 ZINC000413185714 309020268 /nfs/dbraw/zinc/02/02/68/309020268.db2.gz NQNGFTDBHDWOOD-IUCAKERBSA-N 1 0 330.310 3.046 20 5 EGBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Nc1ncc([N+](=O)[O-])cc1F ZINC000413238350 309023105 /nfs/dbraw/zinc/02/31/05/309023105.db2.gz SSTUPUXSNQVHKJ-WBMJQRKESA-N 1 0 330.363 3.061 20 5 EGBDRO CN(c1ccc([N+](=O)[O-])c2ncccc12)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000413280413 309024865 /nfs/dbraw/zinc/02/48/65/309024865.db2.gz KNTCLSFUUYJJDC-PBWFPOADSA-N 1 0 326.400 3.204 20 5 EGBDRO C[N@H+](CCCCNc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)C1CC1 ZINC000413347594 309027959 /nfs/dbraw/zinc/02/79/59/309027959.db2.gz LPSBELGVFVUGQE-UHFFFAOYSA-N 1 0 346.456 3.427 20 5 EGBDRO COc1ccc(-c2ccc(CN[C@H]3CC[NH2+][C@@H](C)C3)o2)c([N+](=O)[O-])c1 ZINC000414954684 309111343 /nfs/dbraw/zinc/11/13/43/309111343.db2.gz SWIUDUYNEBKMNT-STQMWFEESA-N 1 0 345.399 3.094 20 5 EGBDRO CCCC[C@@H](C[NH3+])NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000415438315 309133382 /nfs/dbraw/zinc/13/33/82/309133382.db2.gz LVPDYQMLBJDQTH-JTQLQIEISA-N 1 0 348.325 3.253 20 5 EGBDRO C[C@H](CCCC[NH3+])NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000415444022 309133627 /nfs/dbraw/zinc/13/36/27/309133627.db2.gz RBJOPPIULOWOML-SECBINFHSA-N 1 0 348.325 3.253 20 5 EGBDRO C[NH2+]Cc1cccc(NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000415933891 309149751 /nfs/dbraw/zinc/14/97/51/309149751.db2.gz QRNGAEKZLMDFBN-UHFFFAOYSA-N 1 0 342.399 3.021 20 5 EGBDRO CC(C)(NC(=O)Nc1ccc2c(c1)C[NH2+]C2)c1ccccc1[N+](=O)[O-] ZINC000416007185 309154310 /nfs/dbraw/zinc/15/43/10/309154310.db2.gz KUBUHVCSNJJNAR-UHFFFAOYSA-N 1 0 340.383 3.255 20 5 EGBDRO CC[C@@H](C)NC(=O)CC[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417346373 309202445 /nfs/dbraw/zinc/20/24/45/309202445.db2.gz VWJGPBNXZQDOQU-CXAGYDPISA-N 1 0 333.432 3.257 20 5 EGBDRO CC(C)(C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)C1(O)CCOCC1 ZINC000417378689 309203586 /nfs/dbraw/zinc/20/35/86/309203586.db2.gz HYRFVLANLSIYLM-QGZVFWFLSA-N 1 0 348.443 3.130 20 5 EGBDRO CC1(C)C[C@@H]([NH2+][C@H]2CCN(CC(F)F)C2)c2cc([N+](=O)[O-])ccc21 ZINC000417381087 309203677 /nfs/dbraw/zinc/20/36/77/309203677.db2.gz IBSORWVYUCWLHP-XHDPSFHLSA-N 1 0 339.386 3.246 20 5 EGBDRO C[C@H]1[C@@H](C)[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000418112700 309235974 /nfs/dbraw/zinc/23/59/74/309235974.db2.gz BRBKZOPEVDQNPZ-MGPQQGTHSA-N 1 0 328.416 3.472 20 5 EGBDRO C[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(C2CC2)cc1 ZINC000419342049 309265055 /nfs/dbraw/zinc/26/50/55/309265055.db2.gz OTKHBCRFLWLFEP-GFCCVEGCSA-N 1 0 339.395 3.422 20 5 EGBDRO COCC1(CNc2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000420247926 309277945 /nfs/dbraw/zinc/27/79/45/309277945.db2.gz VGGQUJZYVLNXIH-UHFFFAOYSA-N 1 0 348.230 3.330 20 5 EGBDRO C[C@]1(Cc2ccc(F)cc2)CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000420931756 309302212 /nfs/dbraw/zinc/30/22/12/309302212.db2.gz UECBWWXEILJFJV-QGZVFWFLSA-N 1 0 332.379 3.028 20 5 EGBDRO COC1([C@H](C)[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CCOCC1 ZINC000421396468 309322706 /nfs/dbraw/zinc/32/27/06/309322706.db2.gz BSZTYYCYLDFRQG-AWEZNQCLSA-N 1 0 336.432 3.392 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000421506390 309327619 /nfs/dbraw/zinc/32/76/19/309327619.db2.gz PHLJTPOPCJESGF-MRXNPFEDSA-N 1 0 345.443 3.206 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000421744171 309338048 /nfs/dbraw/zinc/33/80/48/309338048.db2.gz MSAJGPHTFHCQKZ-UHFFFAOYSA-N 1 0 341.411 3.203 20 5 EGBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])c(C)cc2C)C[C@@H]1C ZINC000421777087 309339645 /nfs/dbraw/zinc/33/96/45/309339645.db2.gz XCGVPRHUVZFJDQ-GJZGRUSLSA-N 1 0 333.432 3.156 20 5 EGBDRO CCc1ccc([C@@H](NC[C@H]([NH3+])C2CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000423330369 309395608 /nfs/dbraw/zinc/39/56/08/309395608.db2.gz UFIQDFRWGNGCCQ-WMZOPIPTSA-N 1 0 329.400 3.167 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2NCCc3ccccc32)cc1[N+](=O)[O-] ZINC000423417598 309399511 /nfs/dbraw/zinc/39/95/11/309399511.db2.gz HBZIAWMSIIVORW-KDOFPFPSSA-N 1 0 325.412 3.441 20 5 EGBDRO NC[C@H]([NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000423513112 309403913 /nfs/dbraw/zinc/40/39/13/309403913.db2.gz VEAMXDPACOEGIU-NJAFHUGGSA-N 1 0 331.460 3.413 20 5 EGBDRO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423717711 309410718 /nfs/dbraw/zinc/41/07/18/309410718.db2.gz BCACPKIPINIZGT-VHRNVKJDSA-N 1 0 343.427 3.007 20 5 EGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](CO)CC(F)F ZINC000429461694 309582355 /nfs/dbraw/zinc/58/23/55/309582355.db2.gz LWDFJVMLOUSEOK-MNOVXSKESA-N 1 0 334.388 3.071 20 5 EGBDRO CC1(C)C[C@H]([NH2+]CCN2CCOC(C)(C)C2)c2cc([N+](=O)[O-])ccc21 ZINC000433113987 309679253 /nfs/dbraw/zinc/67/92/53/309679253.db2.gz DWAOVQFVNIDGEK-KRWDZBQOSA-N 1 0 347.459 3.018 20 5 EGBDRO CC1CC[NH+]([C@@H](CNc2ncc([N+](=O)[O-])s2)c2ccccc2)CC1 ZINC000443518385 309902443 /nfs/dbraw/zinc/90/24/43/309902443.db2.gz RYZQNBBPVZUFEW-HNNXBMFYSA-N 1 0 346.456 3.358 20 5 EGBDRO COc1ccc([C@@H](C)[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000444678953 309925542 /nfs/dbraw/zinc/92/55/42/309925542.db2.gz LIZUDZPEWQUJHR-LLVKDONJSA-N 1 0 326.356 3.331 20 5 EGBDRO CC[NH+](CC)CCOC1CCN(c2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000447070833 309973343 /nfs/dbraw/zinc/97/33/43/309973343.db2.gz VGGJLBPBMKZRFK-UHFFFAOYSA-N 1 0 335.448 3.230 20 5 EGBDRO CO[C@]1(C)C[C@H]([NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1(C)C ZINC000447534491 309981202 /nfs/dbraw/zinc/98/12/02/309981202.db2.gz XSAJFHNFMKUVHA-AYMQEEERSA-N 1 0 336.436 3.068 20 5 EGBDRO COc1cc(C)cc(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000447585129 309983270 /nfs/dbraw/zinc/98/32/70/309983270.db2.gz IJBLCMVURCPMAU-IRXDYDNUSA-N 1 0 344.415 3.382 20 5 EGBDRO Cc1cnc([C@H](C)C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)s1 ZINC000447607460 309984345 /nfs/dbraw/zinc/98/43/45/309984345.db2.gz SJMWRLLUTXHLQP-BNOWGMLFSA-N 1 0 349.460 3.433 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CN(Cc1ccnn1-c1ccccc1)CC2 ZINC000448332010 310002040 /nfs/dbraw/zinc/00/20/40/310002040.db2.gz LEECBZPOXXHLOY-UHFFFAOYSA-N 1 0 334.379 3.339 20 5 EGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCN(c2ccccc2)C1 ZINC000449125062 310038761 /nfs/dbraw/zinc/03/87/61/310038761.db2.gz ICFDPXFQDAMRGX-DOTOQJQBSA-N 1 0 325.412 3.394 20 5 EGBDRO CC(C)OCCN1CCC([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000449192982 310043614 /nfs/dbraw/zinc/04/36/14/310043614.db2.gz ZHMKANMZPTVXQZ-MRXNPFEDSA-N 1 0 349.475 3.005 20 5 EGBDRO CC(C)OCCN1CCC([NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000449192980 310043669 /nfs/dbraw/zinc/04/36/69/310043669.db2.gz ZHMKANMZPTVXQZ-INIZCTEOSA-N 1 0 349.475 3.005 20 5 EGBDRO CCOC(=O)c1cc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)[nH]c1C ZINC000449242820 310047103 /nfs/dbraw/zinc/04/71/03/310047103.db2.gz GTWVGOAMSIFTRB-UHFFFAOYSA-N 1 0 345.399 3.433 20 5 EGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1COc2ccc(F)cc2C1 ZINC000449329408 310053921 /nfs/dbraw/zinc/05/39/21/310053921.db2.gz OCYVBNRLBJKZHK-BLLLJJGKSA-N 1 0 330.359 3.258 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](O)Cc1cccc(F)c1 ZINC000449362874 310056715 /nfs/dbraw/zinc/05/67/15/310056715.db2.gz NXURTPIKJJWALF-XOVNIXPASA-N 1 0 344.386 3.330 20 5 EGBDRO CO[C@@H](C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000449394765 310058441 /nfs/dbraw/zinc/05/84/41/310058441.db2.gz RJXCEMUQNCIDSE-MAUKXSAKSA-N 1 0 328.412 3.373 20 5 EGBDRO COc1ncc(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])cc1Cl ZINC000449460627 310063672 /nfs/dbraw/zinc/06/36/72/310063672.db2.gz OAFNBYBZUNFJGN-NSHDSACASA-N 1 0 335.791 3.373 20 5 EGBDRO CC(C)n1cc(CN2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)nn1 ZINC000449495751 310066862 /nfs/dbraw/zinc/06/68/62/310066862.db2.gz DYUADWHWFYMJTM-HNNXBMFYSA-N 1 0 329.404 3.147 20 5 EGBDRO CC(C)(C)O[C@@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])[C@@H]1n1cccn1 ZINC000449652136 310077685 /nfs/dbraw/zinc/07/76/85/310077685.db2.gz ARMPHUMTQSPZLD-OIISXLGYSA-N 1 0 344.415 3.078 20 5 EGBDRO CC[NH+](CC)[C@@H](CNc1ncc([N+](=O)[O-])c(C)n1)c1ccccc1 ZINC000450212715 310108898 /nfs/dbraw/zinc/10/88/98/310108898.db2.gz FJOHQERMYGGSAD-INIZCTEOSA-N 1 0 329.404 3.188 20 5 EGBDRO C[NH+](C)CC1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CC1 ZINC000450258680 310111570 /nfs/dbraw/zinc/11/15/70/310111570.db2.gz BFMJWVAUWBULCB-UHFFFAOYSA-N 1 0 346.456 3.496 20 5 EGBDRO CCC[N@H+](C)C[C@@H]1CCN(c2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000450358917 310117655 /nfs/dbraw/zinc/11/76/55/310117655.db2.gz CZRHZLQQYYWYBG-AWEZNQCLSA-N 1 0 328.416 3.311 20 5 EGBDRO CC[NH+](CC)[C@H]1CCN(c2c3ccc(OC)cc3ncc2[N+](=O)[O-])C1 ZINC000450363217 310118041 /nfs/dbraw/zinc/11/80/41/310118041.db2.gz ULVSTOUSCJBWQV-ZDUSSCGKSA-N 1 0 344.415 3.072 20 5 EGBDRO CC[N@H+](CCC1CCN(c2ncc([N+](=O)[O-])c(C)n2)CC1)CC(C)C ZINC000450426483 310121895 /nfs/dbraw/zinc/12/18/95/310121895.db2.gz WWFRKHJYOLJRTQ-UHFFFAOYSA-N 1 0 349.479 3.278 20 5 EGBDRO C[C@@H](c1ccccc1)[C@@H](O)C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000450931668 310150592 /nfs/dbraw/zinc/15/05/92/310150592.db2.gz BBRMQHQZCSGNKM-KXBFYZLASA-N 1 0 328.412 3.234 20 5 EGBDRO CCc1ccccc1NC(=O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000451097840 310160316 /nfs/dbraw/zinc/16/03/16/310160316.db2.gz FUNPUGAHIIAYBF-ZDUSSCGKSA-N 1 0 327.384 3.447 20 5 EGBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H]2CCC23CCCC3)c([N+](=O)[O-])c1 ZINC000451459562 310179285 /nfs/dbraw/zinc/17/92/85/310179285.db2.gz QQEHOSCIYLOVAL-MRXNPFEDSA-N 1 0 347.415 3.244 20 5 EGBDRO CO[C@]1(C)C[C@@H]([NH2+]CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1(C)C ZINC000451492190 310181112 /nfs/dbraw/zinc/18/11/12/310181112.db2.gz QKSXJCPZHBWLFY-CRAIPNDOSA-N 1 0 349.431 3.025 20 5 EGBDRO C[C@H]1CCCN1C(=O)CC[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451546351 310184781 /nfs/dbraw/zinc/18/47/81/310184781.db2.gz IZGSWMKYNQQZIX-DOTOQJQBSA-N 1 0 345.443 3.175 20 5 EGBDRO CO[C@H]1CC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H]1C ZINC000451579784 310187678 /nfs/dbraw/zinc/18/76/78/310187678.db2.gz YYUGYCUIOLRMIB-LRDDRELGSA-N 1 0 331.372 3.107 20 5 EGBDRO CC(C)[C@@H](CO)[C@@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)C(C)C ZINC000451602365 310188776 /nfs/dbraw/zinc/18/87/76/310188776.db2.gz VJSMTOVYYUBMSB-CJNGLKHVSA-N 1 0 330.375 3.252 20 5 EGBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)c1 ZINC000451619653 310189663 /nfs/dbraw/zinc/18/96/63/310189663.db2.gz JWSHJHLGLCACJE-MSOLQXFVSA-N 1 0 346.427 3.255 20 5 EGBDRO COc1ccc2c(c1)C[C@@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])CO2 ZINC000453166515 310261928 /nfs/dbraw/zinc/26/19/28/310261928.db2.gz QRVGYIAZWFZBIP-TZMCWYRMSA-N 1 0 328.368 3.258 20 5 EGBDRO C[C@H](Cc1cnn(C)c1)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000453342427 310271998 /nfs/dbraw/zinc/27/19/98/310271998.db2.gz LXMWMBLAUBVXKE-PXAZEXFGSA-N 1 0 328.416 3.272 20 5 EGBDRO CC[C@H]([NH2+][C@@H]1CCO[C@@H](c2ccnn2C)C1)c1cccc([N+](=O)[O-])c1 ZINC000453353659 310272542 /nfs/dbraw/zinc/27/25/42/310272542.db2.gz QSKWTOJLTVZBPP-UWWQBHOKSA-N 1 0 344.415 3.289 20 5 EGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)Cc1cnn(C)c1 ZINC000453364596 310273132 /nfs/dbraw/zinc/27/31/32/310273132.db2.gz VISCDWJRSFCZMY-UKRRQHHQSA-N 1 0 348.472 3.420 20 5 EGBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C1CC1)C1CCC1 ZINC000453412028 310275722 /nfs/dbraw/zinc/27/57/22/310275722.db2.gz HHTFSNCOECTNDV-KZULUSFZSA-N 1 0 331.416 3.480 20 5 EGBDRO CCC(C)(C)OCC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000453608461 310284208 /nfs/dbraw/zinc/28/42/08/310284208.db2.gz CJUUTGATPRUVBD-UHFFFAOYSA-N 1 0 346.431 3.290 20 5 EGBDRO C[C@@H](C(=O)NC(C)(C)CCC[NH+](C)C)c1ccc([N+](=O)[O-])cc1F ZINC000456160266 310391228 /nfs/dbraw/zinc/39/12/28/310391228.db2.gz BLCFENZRPDPQHU-GFCCVEGCSA-N 1 0 339.411 3.074 20 5 EGBDRO C[NH+](C)[C@H]1CCc2cc(NC(=O)c3cccc([N+](=O)[O-])c3)ccc21 ZINC000456263034 310395430 /nfs/dbraw/zinc/39/54/30/310395430.db2.gz LYJRJRZPEMHKOI-KRWDZBQOSA-N 1 0 325.368 3.396 20 5 EGBDRO CCC[NH+]1CCC(NC(=O)[C@@H](CC)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000462755018 310605232 /nfs/dbraw/zinc/60/52/32/310605232.db2.gz SHVNBWRJPOPHEL-INIZCTEOSA-N 1 0 347.459 3.154 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC(=O)Nc1ccc(F)cc1 ZINC000468648428 310691700 /nfs/dbraw/zinc/69/17/00/310691700.db2.gz LAUAGZIFJRIZLN-LCYFTJDESA-N 1 0 343.358 3.366 20 5 EGBDRO COc1ccc(NC(=O)C[NH2+][C@H]2CCC(C)(C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000481085904 310905740 /nfs/dbraw/zinc/90/57/40/310905740.db2.gz BGQJYPPQWRXRBE-OCCSQVGLSA-N 1 0 349.431 3.346 20 5 EGBDRO C[C@H](CNc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-])C[NH+](C)C ZINC000488987563 311088180 /nfs/dbraw/zinc/08/81/80/311088180.db2.gz UFVXDNSURCGTRW-CQSZACIVSA-N 1 0 341.411 3.435 20 5 EGBDRO CCOC(=O)N(C)C1CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000491759806 311188770 /nfs/dbraw/zinc/18/87/70/311188770.db2.gz SUPASFLBARALMU-ZDUSSCGKSA-N 1 0 335.404 3.209 20 5 EGBDRO COC(=O)N1CCC([C@H](C)[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000492200793 311225988 /nfs/dbraw/zinc/22/59/88/311225988.db2.gz KJFPMJFRADAGFF-STQMWFEESA-N 1 0 335.404 3.112 20 5 EGBDRO C[NH+](C)CCCC1CCN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000492297447 311235193 /nfs/dbraw/zinc/23/51/93/311235193.db2.gz SCALZCBLXSQEJE-KTKRTIGZSA-N 1 0 345.443 3.188 20 5 EGBDRO COC(=O)N1CCC([C@@H](C)[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000492572972 311266768 /nfs/dbraw/zinc/26/67/68/311266768.db2.gz SCJMFIXNAGNVOP-BRLPQQTGSA-N 1 0 347.415 3.065 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)[C@@H](OC)c1ccccc1 ZINC000493894435 311443357 /nfs/dbraw/zinc/44/33/57/311443357.db2.gz OAJYGSBJZYLIFW-FZKQIMNGSA-N 1 0 330.384 3.469 20 5 EGBDRO Cc1c(C[NH2+]C2CCN(C(=O)OCC(C)C)CC2)cccc1[N+](=O)[O-] ZINC000495615772 311586338 /nfs/dbraw/zinc/58/63/38/311586338.db2.gz CCDSFDNUZWHKTL-UHFFFAOYSA-N 1 0 349.431 3.250 20 5 EGBDRO COC(=O)N1CCC(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000495691003 311596994 /nfs/dbraw/zinc/59/69/94/311596994.db2.gz OOEQEOYJIWIMHC-CYBMUJFWSA-N 1 0 335.404 3.032 20 5 EGBDRO C[C@H](CCNC(=O)OC(C)(C)C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000496494223 311721226 /nfs/dbraw/zinc/72/12/26/311721226.db2.gz VLPKPJRHNYMGKB-SNVBAGLBSA-N 1 0 329.422 3.049 20 5 EGBDRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000502862222 311974687 /nfs/dbraw/zinc/97/46/87/311974687.db2.gz NDGMUAHYTXQAGX-GJZGRUSLSA-N 1 0 348.447 3.474 20 5 EGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CCO)C(C)C ZINC000504895201 312012219 /nfs/dbraw/zinc/01/22/19/312012219.db2.gz RMOAMKKXYHUHQH-KGLIPLIRSA-N 1 0 326.462 3.462 20 5 EGBDRO CCN(CCC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000505417493 312022170 /nfs/dbraw/zinc/02/21/70/312022170.db2.gz WYEBITSWXKMYBO-UHFFFAOYSA-N 1 0 347.337 3.027 20 5 EGBDRO C[C@H]1CN(Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000505877633 312037836 /nfs/dbraw/zinc/03/78/36/312037836.db2.gz UQNIRZAZFBDFRS-ZDUSSCGKSA-N 1 0 345.374 3.320 20 5 EGBDRO O=[N+]([O-])c1cccc(F)c1CN1CC[NH+](CCc2cccs2)CC1 ZINC000505892061 312038548 /nfs/dbraw/zinc/03/85/48/312038548.db2.gz VQFFKBSDXHSTFR-UHFFFAOYSA-N 1 0 349.431 3.156 20 5 EGBDRO CCCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000511522461 312162498 /nfs/dbraw/zinc/16/24/98/312162498.db2.gz LTOAMUVJYZKXTC-RDJZCZTQSA-N 1 0 347.459 3.420 20 5 EGBDRO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)C1Cc2ccccc2C1 ZINC000513442608 312210374 /nfs/dbraw/zinc/21/03/74/312210374.db2.gz IKVRYGRVEGRKRM-UHFFFAOYSA-N 1 0 326.396 3.463 20 5 EGBDRO CC[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000516937260 312352460 /nfs/dbraw/zinc/35/24/60/312352460.db2.gz AQDRUMZTLYNKRV-GMOIUHPCSA-N 1 0 336.457 3.252 20 5 EGBDRO C[C@H](C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccc(F)cc1 ZINC000527356195 312858932 /nfs/dbraw/zinc/85/89/32/312858932.db2.gz KWXLWGZWUVWROH-CQSZACIVSA-N 1 0 344.390 3.055 20 5 EGBDRO CC[C@H]([NH2+][C@H]1CCCC[C@@H]1N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000532549699 313813672 /nfs/dbraw/zinc/81/36/72/313813672.db2.gz MXLDYUOKBZHWHH-FHWLQOOXSA-N 1 0 347.459 3.279 20 5 EGBDRO CC(C)(C)[N@@H+]1CCCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC000535672814 314059305 /nfs/dbraw/zinc/05/93/05/314059305.db2.gz YGRCSQFSMLGCFQ-UHFFFAOYSA-N 1 0 344.415 3.023 20 5 EGBDRO C[C@@H]([NH2+]CCNC(=O)c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000536865476 314150659 /nfs/dbraw/zinc/15/06/59/314150659.db2.gz XJIHMBBNSQSTHL-GFCCVEGCSA-N 1 0 347.802 3.329 20 5 EGBDRO C[C@H]1CC[N@H+](CCNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000537500194 314185067 /nfs/dbraw/zinc/18/50/67/314185067.db2.gz JHDBTJAJZPTKCQ-ZDUSSCGKSA-N 1 0 346.456 3.150 20 5 EGBDRO C[C@H]([NH2+]CC(=O)Nc1ccc2c(c1)CCC2)c1cccc([N+](=O)[O-])c1 ZINC000538179028 314230753 /nfs/dbraw/zinc/23/07/53/314230753.db2.gz IRXZUQUUTXSXDS-ZDUSSCGKSA-N 1 0 339.395 3.373 20 5 EGBDRO CCc1ccc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)s1 ZINC000538738569 314271298 /nfs/dbraw/zinc/27/12/98/314271298.db2.gz DSAXTSIRVHAGDH-LBPRGKRZSA-N 1 0 332.429 3.300 20 5 EGBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H]2CCCOc3ccccc32)cc1 ZINC000539068899 314293610 /nfs/dbraw/zinc/29/36/10/314293610.db2.gz IHTSDBZMGCTSSS-QGZVFWFLSA-N 1 0 328.368 3.477 20 5 EGBDRO CC(C)n1cc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cn1 ZINC000542575023 314560559 /nfs/dbraw/zinc/56/05/59/314560559.db2.gz YHQMINMZGNKRFS-STQMWFEESA-N 1 0 345.403 3.050 20 5 EGBDRO CC(C)(C)[N@@H+]1CCCN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000548744156 315041833 /nfs/dbraw/zinc/04/18/33/315041833.db2.gz UPLYPFADOJSUJO-UHFFFAOYSA-N 1 0 338.383 3.072 20 5 EGBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)[C@@H]1CCCN(CC(C)(C)C)C1=O ZINC000548935495 315064250 /nfs/dbraw/zinc/06/42/50/315064250.db2.gz NAVNIQXWZKUEHB-QGZVFWFLSA-N 1 0 347.459 3.106 20 5 EGBDRO C[C@H](C(=O)N[C@@H]1CCCC[C@H]1C)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000548933919 315064315 /nfs/dbraw/zinc/06/43/15/315064315.db2.gz LQJIFQHIFWSILF-IIDMSEBBSA-N 1 0 347.459 3.153 20 5 EGBDRO C[C@H](C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)Cn1cccn1 ZINC000549550566 315096264 /nfs/dbraw/zinc/09/62/64/315096264.db2.gz JPQDBPRYTOMKBH-CQSZACIVSA-N 1 0 340.383 3.477 20 5 EGBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1CCCSC1 ZINC000554359253 315312882 /nfs/dbraw/zinc/31/28/82/315312882.db2.gz PAKIBSLRYBEUKC-STQMWFEESA-N 1 0 337.445 3.045 20 5 EGBDRO C[C@@H](C(=O)NCCCC[NH+]1CCC(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000555726568 315400159 /nfs/dbraw/zinc/40/01/59/315400159.db2.gz QZKLQRANIDDVJR-MRXNPFEDSA-N 1 0 347.459 3.327 20 5 EGBDRO C[C@@H](C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000558578058 315580120 /nfs/dbraw/zinc/58/01/20/315580120.db2.gz KLOSEHCFHWRCJH-ZDUSSCGKSA-N 1 0 345.374 3.456 20 5 EGBDRO Cc1cccc([C@H](C)C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000562995410 315937346 /nfs/dbraw/zinc/93/73/46/315937346.db2.gz JUKOPZPBDNGNTM-NVXWUHKLSA-N 1 0 344.411 3.036 20 5 EGBDRO COc1cccc(COCC[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000563419763 316018762 /nfs/dbraw/zinc/01/87/62/316018762.db2.gz YXBBYBFUYYSGEZ-SFHVURJKSA-N 1 0 342.395 3.397 20 5 EGBDRO CCC[C@@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000563617708 316047366 /nfs/dbraw/zinc/04/73/66/316047366.db2.gz IXGRJYHJZKKNMH-JKSUJKDBSA-N 1 0 336.432 3.283 20 5 EGBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000563703335 316058942 /nfs/dbraw/zinc/05/89/42/316058942.db2.gz RKJUVUIGBYLTMR-AWEZNQCLSA-N 1 0 335.448 3.109 20 5 EGBDRO C[N@@H+]1CCC[C@@H](CN[C@@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)C1 ZINC000563721556 316061402 /nfs/dbraw/zinc/06/14/02/316061402.db2.gz FVRCGCYCOZXFTC-FZMZJTMJSA-N 1 0 331.338 3.130 20 5 EGBDRO O=C(CC[NH2+][C@@H]1CCCC(F)(F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000564854277 316218869 /nfs/dbraw/zinc/21/88/69/316218869.db2.gz OBZWPQJOTCWARK-LLVKDONJSA-N 1 0 327.331 3.091 20 5 EGBDRO Cc1csc([C@@H](C)C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])n1 ZINC000564874010 316224168 /nfs/dbraw/zinc/22/41/68/316224168.db2.gz XKSOZBHNYGUYIP-NSHDSACASA-N 1 0 348.428 3.082 20 5 EGBDRO COC[C@@H](Cc1ccccc1)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000570738880 317100589 /nfs/dbraw/zinc/10/05/89/317100589.db2.gz GNMRXRRYXUEUPB-QAPCUYQASA-N 1 0 326.396 3.429 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000571955450 317270635 /nfs/dbraw/zinc/27/06/35/317270635.db2.gz MHANURQILPDKSW-HZPDHXFCSA-N 1 0 335.448 3.055 20 5 EGBDRO CCOc1ccc(NC(=O)C[N@H+](C)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000016445620 323212978 /nfs/dbraw/zinc/21/29/78/323212978.db2.gz RUYNNNKIUJKEAV-UHFFFAOYSA-N 1 0 335.404 3.197 20 5 EGBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCC[NH2+]C(C)(C)C ZINC000181229301 323474352 /nfs/dbraw/zinc/47/43/52/323474352.db2.gz PMOQJYTZXNRYOG-UHFFFAOYSA-N 1 0 339.461 3.213 20 5 EGBDRO CC(C)(CC[NH+]1CCCCCC1)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000186818892 323737473 /nfs/dbraw/zinc/73/74/73/323737473.db2.gz HQBXFZNZUGCZBH-UHFFFAOYSA-N 1 0 339.461 3.431 20 5 EGBDRO O=C(C[NH2+][C@@H](c1ccccc1)C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000192501089 323817796 /nfs/dbraw/zinc/81/77/96/323817796.db2.gz NGFYNLJUIFNNFB-SFHVURJKSA-N 1 0 325.368 3.274 20 5 EGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]Cc1cnn(CC(F)(F)F)c1 ZINC000580094299 325203455 /nfs/dbraw/zinc/20/34/55/325203455.db2.gz NBMFJYIESJDAFW-ZDUSSCGKSA-N 1 0 340.305 3.131 20 5 EGBDRO Cc1ccc(C[C@@H](CO)[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000581260661 325347044 /nfs/dbraw/zinc/34/70/44/325347044.db2.gz KJIHCATWYJFLNP-YJBOKZPZSA-N 1 0 326.396 3.084 20 5 EGBDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c(F)c1 ZINC000581290191 325349103 /nfs/dbraw/zinc/34/91/03/325349103.db2.gz KMIOEBAMLZUJDL-CVEARBPZSA-N 1 0 348.378 3.213 20 5 EGBDRO CCSCC[C@@H](C)[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283377296 456768169 /nfs/dbraw/zinc/76/81/69/456768169.db2.gz SSVDHPYATMLJMT-CYBMUJFWSA-N 1 0 339.461 3.387 20 5 EGBDRO O=[N+]([O-])c1cnn(CC[N@H+](C2CC2)[C@@H]2CCCc3ccccc32)c1 ZINC000157773068 455229875 /nfs/dbraw/zinc/22/98/75/455229875.db2.gz SRDMDAPGGGFKSJ-GOSISDBHSA-N 1 0 326.400 3.333 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@H]2CCC[C@H]2CCO)o1 ZINC000189941306 455257195 /nfs/dbraw/zinc/25/71/95/455257195.db2.gz AMTQOOAEOLSWJW-XJKSGUPXSA-N 1 0 330.384 3.496 20 5 EGBDRO CC1([C@H]2CCC[N@H+](C/C=C/c3ccccc3[N+](=O)[O-])C2)OCCO1 ZINC000183241820 455257774 /nfs/dbraw/zinc/25/77/74/455257774.db2.gz ZTZBOUPGKDPRPK-RRGWEWPQSA-N 1 0 332.400 3.083 20 5 EGBDRO CCNC(=O)c1cccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000173338844 455268953 /nfs/dbraw/zinc/26/89/53/455268953.db2.gz ATTJJYYARLZZEU-ZDUSSCGKSA-N 1 0 327.384 3.195 20 5 EGBDRO CC(C)[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccccc1Cl ZINC000183691656 455322574 /nfs/dbraw/zinc/32/25/74/455322574.db2.gz KMSUSXGWGPVUFR-KRWDZBQOSA-N 1 0 349.818 3.397 20 5 EGBDRO COc1ccc([C@H](CNc2ccc([N+](=O)[O-])cn2)[NH+]2CCCC2)cc1 ZINC000012937639 453428566 /nfs/dbraw/zinc/42/85/66/453428566.db2.gz NEBLRUDRCQVCDE-KRWDZBQOSA-N 1 0 342.399 3.247 20 5 EGBDRO COC(=O)c1ccc(-c2ccc3c(c2)C[NH2+][C@@H](C)C3)c([N+](=O)[O-])c1 ZINC000600783610 460603487 /nfs/dbraw/zinc/60/34/87/460603487.db2.gz FMUCJACNGUGWGR-NSHDSACASA-N 1 0 326.352 3.083 20 5 EGBDRO C[C@@H]1C[N@@H+](CCCNc2ccc([N+](=O)[O-])c3cnccc23)C[C@H](C)O1 ZINC000015554542 453577350 /nfs/dbraw/zinc/57/73/50/453577350.db2.gz PSCGLOSEHPFZCJ-OKILXGFUSA-N 1 0 344.415 3.054 20 5 EGBDRO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000017305729 453632993 /nfs/dbraw/zinc/63/29/93/453632993.db2.gz NDNIKBZSGPVDFH-AWEZNQCLSA-N 1 0 337.383 3.369 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CCC(OC[C@H]2CCOC2)CC1 ZINC000612402224 460620947 /nfs/dbraw/zinc/62/09/47/460620947.db2.gz XWCMZPMFYISTHI-IMMZDGJCSA-N 1 0 346.427 3.126 20 5 EGBDRO CCc1ccc(C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000174145475 455364525 /nfs/dbraw/zinc/36/45/25/455364525.db2.gz REMMDALSXXWKGN-CQSZACIVSA-N 1 0 333.432 3.007 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCc2sccc2C1 ZINC000026343772 453797323 /nfs/dbraw/zinc/79/73/23/453797323.db2.gz CEGYCFWBCQAPOE-UHFFFAOYSA-N 1 0 345.424 3.352 20 5 EGBDRO CCOc1ccc(NC(=O)C[N@H+](C)[C@H]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000026468316 453800843 /nfs/dbraw/zinc/80/08/43/453800843.db2.gz HAEHLXYZFFSFPV-KGLIPLIRSA-N 1 0 349.431 3.443 20 5 EGBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000027761850 453820383 /nfs/dbraw/zinc/82/03/83/453820383.db2.gz QKQWDOUCRIWXLW-CQSZACIVSA-N 1 0 347.459 3.497 20 5 EGBDRO Cc1ncsc1C[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000066566126 453852578 /nfs/dbraw/zinc/85/25/78/453852578.db2.gz VWZMMMIGRXYHAJ-UHFFFAOYSA-N 1 0 348.428 3.129 20 5 EGBDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000081534793 453883765 /nfs/dbraw/zinc/88/37/65/453883765.db2.gz HVEOAEXWUOWORP-INIZCTEOSA-N 1 0 343.402 3.440 20 5 EGBDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1)CC(F)(F)F ZINC000081558283 453886263 /nfs/dbraw/zinc/88/62/63/453886263.db2.gz FMGDFLCPSSIENT-CYBMUJFWSA-N 1 0 345.365 3.301 20 5 EGBDRO Cc1cc(C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000054286969 453921018 /nfs/dbraw/zinc/92/10/18/453921018.db2.gz GKPYMTONTNQVLC-ZDUSSCGKSA-N 1 0 333.432 3.144 20 5 EGBDRO [NH3+]CCCCNc1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000037714974 453938172 /nfs/dbraw/zinc/93/81/72/453938172.db2.gz KJUFSFZDASDHCL-UHFFFAOYSA-N 1 0 339.193 3.056 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C ZINC000041863564 453981400 /nfs/dbraw/zinc/98/14/00/453981400.db2.gz GUVQNGYYTSZDKN-GUIRCDHDSA-N 1 0 349.431 3.345 20 5 EGBDRO CC(C)[NH+]1CCC(NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000043343060 454057565 /nfs/dbraw/zinc/05/75/65/454057565.db2.gz DVNOLVOOUNRWCH-UHFFFAOYSA-N 1 0 340.811 3.243 20 5 EGBDRO C[C@@H](CNc1ncnc2cccc([N+](=O)[O-])c21)C[NH+]1CCCCC1 ZINC000095468696 454218192 /nfs/dbraw/zinc/21/81/92/454218192.db2.gz ZDJNJEBPEMFXNB-ZDUSSCGKSA-N 1 0 329.404 3.072 20 5 EGBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+](CC)C(C)C ZINC000130942674 454227421 /nfs/dbraw/zinc/22/74/21/454227421.db2.gz HKXQQEYWFLEXTK-UHFFFAOYSA-N 1 0 339.461 3.167 20 5 EGBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000058884033 454240040 /nfs/dbraw/zinc/24/00/40/454240040.db2.gz MWOCYUMQJLYEGM-DAYGRLMNSA-N 1 0 345.443 3.001 20 5 EGBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000046427581 454251200 /nfs/dbraw/zinc/25/12/00/454251200.db2.gz YZJWERAMHIKIEL-OKILXGFUSA-N 1 0 334.420 3.084 20 5 EGBDRO Cc1cc(C(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000059890533 454263879 /nfs/dbraw/zinc/26/38/79/454263879.db2.gz CTBVRDMEXGLYPY-UGSOOPFHSA-N 1 0 333.432 3.144 20 5 EGBDRO CCC[C@H]([NH2+]CCn1cnnc1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000090031767 454264453 /nfs/dbraw/zinc/26/44/53/454264453.db2.gz YFQUHOVMQNCGIJ-INIZCTEOSA-N 1 0 329.404 3.195 20 5 EGBDRO O=C1[C@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCN1C1CCCCC1 ZINC000131593697 454267308 /nfs/dbraw/zinc/26/73/08/454267308.db2.gz MWMMRXFJXTWRNS-DBWMJRBXSA-N 1 0 343.427 3.131 20 5 EGBDRO O=[N+]([O-])c1ccc(NCC2CC[NH+](Cc3ccccc3)CC2)nc1 ZINC000060082194 454268268 /nfs/dbraw/zinc/26/82/68/454268268.db2.gz KHLLLLJICRHNFG-UHFFFAOYSA-N 1 0 326.400 3.314 20 5 EGBDRO CN(CC[N@H+](C)CCOc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000078564163 454276274 /nfs/dbraw/zinc/27/62/74/454276274.db2.gz OHXSMXOKVPCQGQ-UHFFFAOYSA-N 1 0 329.400 3.042 20 5 EGBDRO Cc1cnc(N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000078689596 454300447 /nfs/dbraw/zinc/30/04/47/454300447.db2.gz FGKHXHKGMRAFFB-MRXNPFEDSA-N 1 0 340.427 3.399 20 5 EGBDRO COc1ccc([C@H](CNc2ccc([N+](=O)[O-])nc2)[NH+]2CCCC2)cc1 ZINC000072521924 454303187 /nfs/dbraw/zinc/30/31/87/454303187.db2.gz DYYPNGHHEGPLLP-KRWDZBQOSA-N 1 0 342.399 3.247 20 5 EGBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+](Cc1ccccc1)CC1CCC1 ZINC000090519353 454314658 /nfs/dbraw/zinc/31/46/58/454314658.db2.gz IGKHTVWOGGLNPC-UHFFFAOYSA-N 1 0 341.411 3.059 20 5 EGBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1cccc(C(F)(F)F)c1 ZINC000090539195 454318495 /nfs/dbraw/zinc/31/84/95/454318495.db2.gz HLXMDLJHZJHHNT-JTQLQIEISA-N 1 0 328.294 3.161 20 5 EGBDRO Cc1c(C[NH+]2CCC(CC(=O)N3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000061048079 454326287 /nfs/dbraw/zinc/32/62/87/454326287.db2.gz XOGXHJYTEVCMPG-UHFFFAOYSA-N 1 0 345.443 3.128 20 5 EGBDRO CC(C)c1ccc(C[NH2+][C@H](C(=O)N2CCCC2)C(C)C)cc1[N+](=O)[O-] ZINC000073011180 454381057 /nfs/dbraw/zinc/38/10/57/454381057.db2.gz FCBOIBIMJQLGSX-SFHVURJKSA-N 1 0 347.459 3.455 20 5 EGBDRO C[NH2+]CCCNC(=O)c1ccc(SCCC(C)C)c([N+](=O)[O-])c1 ZINC000121263212 454413920 /nfs/dbraw/zinc/41/39/20/454413920.db2.gz QMSQBXWOXUKWQN-UHFFFAOYSA-N 1 0 339.461 3.072 20 5 EGBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H](c2ccccc2F)C2CCCC2)c1 ZINC000091399944 454432390 /nfs/dbraw/zinc/43/23/90/454432390.db2.gz RGEXJJCFVCLNIF-QGZVFWFLSA-N 1 0 332.379 3.452 20 5 EGBDRO C[C@@]1(c2ccccc2)CN(Cc2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000121519441 454445692 /nfs/dbraw/zinc/44/56/92/454445692.db2.gz NNPQRHWVKQRWEH-SFHVURJKSA-N 1 0 330.359 3.482 20 5 EGBDRO Cc1cc(C(=O)N(CC[NH+](C)C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000063829580 454451890 /nfs/dbraw/zinc/45/18/90/454451890.db2.gz AUKBXWCPASZSLC-UHFFFAOYSA-N 1 0 327.384 3.112 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC([NH+]2CC=CC2)CC1 ZINC000102316989 454500059 /nfs/dbraw/zinc/50/00/59/454500059.db2.gz RWUYCWZCAICAPI-UHFFFAOYSA-N 1 0 344.415 3.080 20 5 EGBDRO COc1ccc(-c2ccc(CNCC(C)(C)[NH+](C)C)o2)c([N+](=O)[O-])c1 ZINC000102419530 454503811 /nfs/dbraw/zinc/50/38/11/454503811.db2.gz UXEMITNWEABHEU-UHFFFAOYSA-N 1 0 347.415 3.293 20 5 EGBDRO CSc1ccc(C(=O)NCC2([NH3+])CCCCCC2)cc1[N+](=O)[O-] ZINC000122465971 454536669 /nfs/dbraw/zinc/53/66/69/454536669.db2.gz RNEKVFHHKMFVEX-UHFFFAOYSA-N 1 0 337.445 3.098 20 5 EGBDRO CS[C@@H]1CCCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000134586926 454564133 /nfs/dbraw/zinc/56/41/33/454564133.db2.gz UGCLEMZJDHBGKS-OAHLLOKOSA-N 1 0 337.445 3.141 20 5 EGBDRO CS[C@@H]1CCCC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000134606778 454568400 /nfs/dbraw/zinc/56/84/00/454568400.db2.gz IWXBBIJKKRVKTI-CQSZACIVSA-N 1 0 348.428 3.362 20 5 EGBDRO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000134627641 454570808 /nfs/dbraw/zinc/57/08/08/454570808.db2.gz ZWEJPMJTNGYBCO-ZFWWWQNUSA-N 1 0 349.431 3.472 20 5 EGBDRO C[N@H+](CCNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CCCC1 ZINC000104773129 454602115 /nfs/dbraw/zinc/60/21/15/454602115.db2.gz GTNKBQNLJNJJMP-UHFFFAOYSA-N 1 0 340.811 3.244 20 5 EGBDRO Cc1c(CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cccc1[N+](=O)[O-] ZINC000134903158 454607492 /nfs/dbraw/zinc/60/74/92/454607492.db2.gz XTWNZOFQXXOLLZ-APWZRJJASA-N 1 0 329.444 3.352 20 5 EGBDRO O=[N+]([O-])c1cccc(F)c1CN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134931821 454611610 /nfs/dbraw/zinc/61/16/10/454611610.db2.gz IDXFKWKLMBJHQQ-CXAGYDPISA-N 1 0 333.407 3.183 20 5 EGBDRO O=[N+]([O-])c1cccc(N2CC[NH+](Cc3cccc4cccnc43)CC2)c1 ZINC000051624775 454632851 /nfs/dbraw/zinc/63/28/51/454632851.db2.gz WGVQCLYHCFDXBP-UHFFFAOYSA-N 1 0 348.406 3.465 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[N@@H+](C[C@@H](O)Cc1ccccc1)C1CC1 ZINC000135222711 454648783 /nfs/dbraw/zinc/64/87/83/454648783.db2.gz ITGUMYXNDZPFCD-SFHVURJKSA-N 1 0 326.396 3.163 20 5 EGBDRO C[NH+](C)[C@H]1CCCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000092938269 454656664 /nfs/dbraw/zinc/65/66/64/454656664.db2.gz VHLGGXZPVXFTAP-INIZCTEOSA-N 1 0 346.456 3.244 20 5 EGBDRO CCCCN(C)C(=O)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000052186558 454658630 /nfs/dbraw/zinc/65/86/30/454658630.db2.gz GOYVIJZDLKLZNT-UHFFFAOYSA-N 1 0 333.432 3.065 20 5 EGBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@H]2Cc2ccccc2Cl)n1 ZINC000176216644 454713218 /nfs/dbraw/zinc/71/32/18/454713218.db2.gz XGNZBOHPBKDWPP-AWEZNQCLSA-N 1 0 334.807 3.152 20 5 EGBDRO C[C@@H](O)[C@@H]1CCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000136827922 454757601 /nfs/dbraw/zinc/75/76/01/454757601.db2.gz XIZVRPSGGZYCNS-ZIAGYGMSSA-N 1 0 330.384 3.448 20 5 EGBDRO CSc1ccc(C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000107601314 454764398 /nfs/dbraw/zinc/76/43/98/454764398.db2.gz VCICPSXYEBZWIN-CQSZACIVSA-N 1 0 349.456 3.017 20 5 EGBDRO CC(C)[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CCCC1 ZINC000108364958 454794561 /nfs/dbraw/zinc/79/45/61/454794561.db2.gz LIYPKHQNPRBYSR-UHFFFAOYSA-N 1 0 331.416 3.137 20 5 EGBDRO Cc1cc(C(=O)N2CCC[C@H]([NH+]3[C@@H](C)CC[C@@H]3C)C2)cc([N+](=O)[O-])c1 ZINC000139786949 454811691 /nfs/dbraw/zinc/81/16/91/454811691.db2.gz GAMKFHWYWQSTOM-ZOBUZTSGSA-N 1 0 345.443 3.381 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000163068114 454820702 /nfs/dbraw/zinc/82/07/02/454820702.db2.gz AENKTJNKIHSMNI-UHFFFAOYSA-N 1 0 334.420 3.289 20 5 EGBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000142030096 454834099 /nfs/dbraw/zinc/83/40/99/454834099.db2.gz MNIGNTQMOVXPCY-AWEZNQCLSA-N 1 0 345.424 3.120 20 5 EGBDRO CCOc1ccc([C@@H](C)[NH2+]CC[S@](=O)C(C)(C)C)cc1[N+](=O)[O-] ZINC000153845186 454839373 /nfs/dbraw/zinc/83/93/73/454839373.db2.gz MLLQDTPSRAMLPV-SFDCACGMSA-N 1 0 342.461 3.191 20 5 EGBDRO Cc1c([C@@H](C)[NH2+][C@H]2CCN(CC(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000125809460 454849049 /nfs/dbraw/zinc/84/90/49/454849049.db2.gz QFCRVSJMOQZVRD-NEPJUHHUSA-N 1 0 331.338 3.190 20 5 EGBDRO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000144843058 454851083 /nfs/dbraw/zinc/85/10/83/454851083.db2.gz SUUIXDDBFXBTQZ-WMLDXEAASA-N 1 0 347.459 3.420 20 5 EGBDRO COc1ccc(OCC[N@@H+]2CCC[C@H]2c2ccncc2)c([N+](=O)[O-])c1 ZINC000154021219 454856854 /nfs/dbraw/zinc/85/68/54/454856854.db2.gz IAQBZWZXWOZCBF-INIZCTEOSA-N 1 0 343.383 3.214 20 5 EGBDRO C[C@@H]1CCC[C@@H](C)N(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000150780240 454891299 /nfs/dbraw/zinc/89/12/99/454891299.db2.gz IVOVQEBODNCZRL-ZIAGYGMSSA-N 1 0 342.399 3.431 20 5 EGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1c2ccccc2C[C@@H]1O ZINC000166657795 454914971 /nfs/dbraw/zinc/91/49/71/454914971.db2.gz BRBPILHIZLCFGT-VMDGZTHMSA-N 1 0 326.396 3.164 20 5 EGBDRO CC[C@@H]1CCCC[N@@H+]1CCNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000113247772 454919388 /nfs/dbraw/zinc/91/93/88/454919388.db2.gz LGFRAJKOHLCUMM-CQSZACIVSA-N 1 0 346.431 3.156 20 5 EGBDRO C[S@](=O)C[C@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000154710680 454922100 /nfs/dbraw/zinc/92/21/00/454922100.db2.gz XHOVSHLPHOTYNZ-HLXFZREJSA-N 1 0 344.436 3.317 20 5 EGBDRO CCCN(C(=O)c1cc2cc([N+](=O)[O-])ccc2s1)C1CC[NH2+]CC1 ZINC000178652514 454966722 /nfs/dbraw/zinc/96/67/22/454966722.db2.gz AZECWFPBUUDPMI-UHFFFAOYSA-N 1 0 347.440 3.414 20 5 EGBDRO C[C@@H]([NH2+]Cc1ccc(N2CCCC2)nc1)c1ccc([N+](=O)[O-])cc1 ZINC000178642734 454966730 /nfs/dbraw/zinc/96/67/30/454966730.db2.gz RFNPJECDRWIDSW-CQSZACIVSA-N 1 0 326.400 3.441 20 5 EGBDRO O=C(CC[NH+]1CCc2ccccc2CC1)Nc1ccccc1[N+](=O)[O-] ZINC000116301323 455050340 /nfs/dbraw/zinc/05/03/40/455050340.db2.gz NGBSPEIDPMYQRP-UHFFFAOYSA-N 1 0 339.395 3.024 20 5 EGBDRO C[NH+](C)CCC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000128507565 455062840 /nfs/dbraw/zinc/06/28/40/455062840.db2.gz WFHZDOUZJBPQOQ-UHFFFAOYSA-N 1 0 339.823 3.052 20 5 EGBDRO C[NH+](C)C[C@@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000179633015 455063000 /nfs/dbraw/zinc/06/30/00/455063000.db2.gz KJBFWXTWQKJSMM-AWEZNQCLSA-N 1 0 329.400 3.238 20 5 EGBDRO CC(=O)NC[C@@H]1C[N@H+](Cc2c3ccccc3cc3ccccc32)CCO1 ZINC000179713377 455070112 /nfs/dbraw/zinc/07/01/12/455070112.db2.gz MWYPQJIETNKLSG-LJQANCHMSA-N 1 0 348.446 3.330 20 5 EGBDRO COC(=O)C[C@@H]1CCC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000179891734 455095069 /nfs/dbraw/zinc/09/50/69/455095069.db2.gz CVLKYNDMTRYACS-ZDUSSCGKSA-N 1 0 344.367 3.382 20 5 EGBDRO C[C@H](C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)[NH+]1CCCCCC1 ZINC000129559906 455116682 /nfs/dbraw/zinc/11/66/82/455116682.db2.gz YZMICEPAULUBKT-OAHLLOKOSA-N 1 0 345.443 3.350 20 5 EGBDRO COc1cc(C[N@H+](C)C2CCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000180167527 455143813 /nfs/dbraw/zinc/14/38/13/455143813.db2.gz AZVITTNIEHBLNL-UHFFFAOYSA-N 1 0 330.331 3.232 20 5 EGBDRO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)N(C)C1CCCCC1 ZINC000180443463 455170939 /nfs/dbraw/zinc/17/09/39/455170939.db2.gz MSLFXFIAQPBIFN-ZIAGYGMSSA-N 1 0 333.432 3.425 20 5 EGBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCSC[C@H](C)C1 ZINC000190466206 455324203 /nfs/dbraw/zinc/32/42/03/455324203.db2.gz LYVXHEZRZNNOLA-NEPJUHHUSA-N 1 0 348.428 3.391 20 5 EGBDRO C[C@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@@H](C)c1ccccc1 ZINC000181526480 455349696 /nfs/dbraw/zinc/34/96/96/455349696.db2.gz SXAVMVCGYCEQJA-CABCVRRESA-N 1 0 341.411 3.339 20 5 EGBDRO CC[NH+](CC)[C@H]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000174132573 455362876 /nfs/dbraw/zinc/36/28/76/455362876.db2.gz GQLRCUVDSIXROU-AWEZNQCLSA-N 1 0 347.440 3.366 20 5 EGBDRO CCc1ccc(C(=O)N2CCC([NH+]3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC000266915824 455474592 /nfs/dbraw/zinc/47/45/92/455474592.db2.gz ISSOMAAKUQIERL-UHFFFAOYSA-N 1 0 345.443 3.248 20 5 EGBDRO Cc1ccc(C[C@@H](CO)[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000191583186 455499598 /nfs/dbraw/zinc/49/95/98/455499598.db2.gz HTMJNMHBRQEKQM-LPHOPBHVSA-N 1 0 342.439 3.418 20 5 EGBDRO Cc1ccc(C[C@H](CO)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000191585176 455500806 /nfs/dbraw/zinc/50/08/06/455500806.db2.gz QBJGNLJZEVSURS-DOTOQJQBSA-N 1 0 328.412 3.466 20 5 EGBDRO C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000185149648 455511098 /nfs/dbraw/zinc/51/10/98/455511098.db2.gz HNLXTNMHHLZOQJ-KBPBESRZSA-N 1 0 348.424 3.108 20 5 EGBDRO C[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@H]2CCCC[C@H]12 ZINC000182499805 455526158 /nfs/dbraw/zinc/52/61/58/455526158.db2.gz LEEWECDXNOLMSF-JLZZUVOBSA-N 1 0 332.400 3.472 20 5 EGBDRO CCOc1ccc(NC(=O)C[NH2+][C@H]2CCCC2(C)C)c([N+](=O)[O-])c1 ZINC000191864140 455526817 /nfs/dbraw/zinc/52/68/17/455526817.db2.gz CGDMLKKDIWLILT-HNNXBMFYSA-N 1 0 335.404 3.100 20 5 EGBDRO CC[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1cccc(Cl)c1 ZINC000182585604 455546749 /nfs/dbraw/zinc/54/67/49/455546749.db2.gz BPDPXKDMUINWKU-OAHLLOKOSA-N 1 0 335.791 3.151 20 5 EGBDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601027342 460680130 /nfs/dbraw/zinc/68/01/30/460680130.db2.gz WNKORFICVKAYLO-ZDUSSCGKSA-N 1 0 337.395 3.118 20 5 EGBDRO CC[C@@H]1[C@H](C)CC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000185678862 455594834 /nfs/dbraw/zinc/59/48/34/455594834.db2.gz LSUIXBYSWFFZKE-IUODEOHRSA-N 1 0 335.404 3.052 20 5 EGBDRO Cc1cc2ncc([C@@H](C)[NH2+]CCc3ccccc3[N+](=O)[O-])c(C)n2n1 ZINC000271365353 455612267 /nfs/dbraw/zinc/61/22/67/455612267.db2.gz FZFZKSCWHKZCJV-CYBMUJFWSA-N 1 0 339.399 3.148 20 5 EGBDRO C[C@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283928020 455612418 /nfs/dbraw/zinc/61/24/18/455612418.db2.gz DXCLDLQHCPITFV-QFYYESIMSA-N 1 0 335.791 3.215 20 5 EGBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2c2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000271397169 455622217 /nfs/dbraw/zinc/62/22/17/455622217.db2.gz RBEVBOIMKHUJIB-WCQYABFASA-N 1 0 341.358 3.117 20 5 EGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CO)Cc1ccc(F)cc1 ZINC000271451607 455642188 /nfs/dbraw/zinc/64/21/88/455642188.db2.gz GEXOXYIADAFJCZ-RDTXWAMCSA-N 1 0 346.402 3.248 20 5 EGBDRO COc1ccc(NC(=O)C[N@H+](C)[C@@H]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000192622838 455655979 /nfs/dbraw/zinc/65/59/79/455655979.db2.gz PLQGTCRBDGPDKG-SWLSCSKDSA-N 1 0 335.404 3.052 20 5 EGBDRO C[C@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1ccc([S@@](C)=O)cc1 ZINC000271777804 455756087 /nfs/dbraw/zinc/75/60/87/455756087.db2.gz GJXSHKGXHYMSFR-RKNYENMMSA-N 1 0 348.424 3.062 20 5 EGBDRO C[C@H](CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)[N@@H+]1CCC[C@@H](C)C1 ZINC000249717124 455769511 /nfs/dbraw/zinc/76/95/11/455769511.db2.gz JJRPWEGEHSJJEG-CHWSQXEVSA-N 1 0 346.431 3.012 20 5 EGBDRO COC(=O)c1ccoc1CN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000269086458 455786989 /nfs/dbraw/zinc/78/69/89/455786989.db2.gz ILWJSILSOYPHRU-UHFFFAOYSA-N 1 0 330.340 3.139 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000252011291 455801741 /nfs/dbraw/zinc/80/17/41/455801741.db2.gz XQPYUAJNMJZVCQ-HXOKRWIQSA-N 1 0 330.428 3.463 20 5 EGBDRO CC1(C)C[C@@H](O)CC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000296169824 455871567 /nfs/dbraw/zinc/87/15/67/455871567.db2.gz TYXQCZRIXNFIJD-INIZCTEOSA-N 1 0 345.399 3.233 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCC(=O)N[C@H]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000285664568 455891592 /nfs/dbraw/zinc/89/15/92/455891592.db2.gz MMFIXSYYALCVOY-SUYBPPKGSA-N 1 0 333.432 3.247 20 5 EGBDRO Cc1ccc(NC(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000272392597 455936147 /nfs/dbraw/zinc/93/61/47/455936147.db2.gz WAHANSVIFTVDOB-ZDUSSCGKSA-N 1 0 334.420 3.097 20 5 EGBDRO Cc1cc(C[NH+](C)C)cc(NC(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])c1 ZINC000270374616 455941430 /nfs/dbraw/zinc/94/14/30/455941430.db2.gz LCCNJMPPJAONEU-UHFFFAOYSA-N 1 0 345.403 3.064 20 5 EGBDRO COc1cccc([C@@H](CNc2ncc([N+](=O)[O-])s2)[NH+]2CCCC2)c1 ZINC000195506078 455971249 /nfs/dbraw/zinc/97/12/49/455971249.db2.gz IMYPCVSZWIRWNS-CQSZACIVSA-N 1 0 348.428 3.309 20 5 EGBDRO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000187958857 455973713 /nfs/dbraw/zinc/97/37/13/455973713.db2.gz POTWZCYKAHGTQG-STQMWFEESA-N 1 0 335.404 3.052 20 5 EGBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1c1nc2ccccc2cc1[N+](=O)[O-] ZINC000286241569 456007560 /nfs/dbraw/zinc/00/75/60/456007560.db2.gz FKSWLDUIVFMWLL-ZFWWWQNUSA-N 1 0 326.400 3.206 20 5 EGBDRO CCC(=O)c1ccc(NC[C@]2([NH+](C)C)CCSC2)c([N+](=O)[O-])c1 ZINC000280644605 456021984 /nfs/dbraw/zinc/02/19/84/456021984.db2.gz DQYQUKFLWQPFOA-MRXNPFEDSA-N 1 0 337.445 3.037 20 5 EGBDRO CCC[N@H+](C)C[C@H]1CCN(c2ccc(C(=O)CC)cc2[N+](=O)[O-])C1 ZINC000280793117 456053627 /nfs/dbraw/zinc/05/36/27/456053627.db2.gz UWHHZTMROHPAQA-CQSZACIVSA-N 1 0 333.432 3.356 20 5 EGBDRO Cc1ccnc(N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000301310253 456087407 /nfs/dbraw/zinc/08/74/07/456087407.db2.gz ZDUMGOWZNHXKLE-MRXNPFEDSA-N 1 0 326.400 3.375 20 5 EGBDRO COc1cc(NC[C@H](c2cccc(F)c2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000301361765 456099136 /nfs/dbraw/zinc/09/91/36/456099136.db2.gz OJPLLZOJLPSARL-MRXNPFEDSA-N 1 0 333.363 3.457 20 5 EGBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2c3ccccc3C[C@@H]2O)cc1[N+](=O)[O-] ZINC000271144782 456139550 /nfs/dbraw/zinc/13/95/50/456139550.db2.gz OZPLEHIPRNLQJT-JLBUNGTFSA-N 1 0 342.395 3.302 20 5 EGBDRO C[C@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 ZINC000297243370 456160807 /nfs/dbraw/zinc/16/08/07/456160807.db2.gz ISGKPOSIIYJTIG-QWRGUYRKSA-N 1 0 330.344 3.497 20 5 EGBDRO COc1cc(CN2CC(C)(C)[C@H]2[C@H]2CCCO2)c([N+](=O)[O-])cc1F ZINC000289886988 456169320 /nfs/dbraw/zinc/16/93/20/456169320.db2.gz SBUGDJXLRAFDHQ-GDBMZVCRSA-N 1 0 338.379 3.132 20 5 EGBDRO CSc1cccc(C(=O)NC[C@H](CC(C)C)[NH+](C)C)c1[N+](=O)[O-] ZINC000188918596 456170011 /nfs/dbraw/zinc/17/00/11/456170011.db2.gz SEEZNWFEAVLQNX-LBPRGKRZSA-N 1 0 339.461 3.023 20 5 EGBDRO CCCN(CC[NH+]1CCCC1)C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000289904337 456176272 /nfs/dbraw/zinc/17/62/72/456176272.db2.gz QQZLSUQLOYRDTJ-UHFFFAOYSA-N 1 0 339.823 3.196 20 5 EGBDRO C[C@@]1([NH2+]Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CCO[C@@H]1C1CC1 ZINC000273110589 456181479 /nfs/dbraw/zinc/18/14/79/456181479.db2.gz XLBALHREKRGHLD-SJLPKXTDSA-N 1 0 343.383 3.297 20 5 EGBDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000301672829 456182140 /nfs/dbraw/zinc/18/21/40/456182140.db2.gz OXNOKLWIXGFRMM-OAHLLOKOSA-N 1 0 332.448 3.471 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000271230895 456183737 /nfs/dbraw/zinc/18/37/37/456183737.db2.gz FSLQEZIQHZCCIA-MRXNPFEDSA-N 1 0 345.443 3.220 20 5 EGBDRO Cn1ccnc1C[C@@H]1CCCN(c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000301702509 456190769 /nfs/dbraw/zinc/19/07/69/456190769.db2.gz GWKCERLMCHZYNE-LBPRGKRZSA-N 1 0 334.807 3.441 20 5 EGBDRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000263707930 456197704 /nfs/dbraw/zinc/19/77/04/456197704.db2.gz BMCDHZMOICYYQZ-ZDUSSCGKSA-N 1 0 346.431 3.316 20 5 EGBDRO COCCOc1cccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)c1 ZINC000237192291 456244155 /nfs/dbraw/zinc/24/41/55/456244155.db2.gz SUZJNYIZPZQRDD-UHFFFAOYSA-N 1 0 330.384 3.218 20 5 EGBDRO COc1cc(N(C)CC[C@H]2CCCC[N@@H+]2C)c(F)cc1[N+](=O)[O-] ZINC000301932150 456253538 /nfs/dbraw/zinc/25/35/38/456253538.db2.gz PETCQYRXZZLGGR-GFCCVEGCSA-N 1 0 325.384 3.053 20 5 EGBDRO C[N@@H+]1CCC[C@@H]2CN(c3ccnc4ccc([N+](=O)[O-])cc43)CC[C@@H]21 ZINC000601130629 460722109 /nfs/dbraw/zinc/72/21/09/460722109.db2.gz NDQHDBLGZCGAPN-DYVFJYSZSA-N 1 0 326.400 3.064 20 5 EGBDRO CC[NH+](CC)[C@@H]1CCN(c2cc(C)nc3c2cccc3[N+](=O)[O-])C1 ZINC000301980924 456263310 /nfs/dbraw/zinc/26/33/10/456263310.db2.gz ATDROOLZVSXQAN-CQSZACIVSA-N 1 0 328.416 3.372 20 5 EGBDRO Cc1cc(NCCCNC(=O)C(C)C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302095703 456286645 /nfs/dbraw/zinc/28/66/45/456286645.db2.gz RTMDCPLXYIOAOA-UHFFFAOYSA-N 1 0 330.388 3.026 20 5 EGBDRO Cc1cc(N[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)ncc1[N+](=O)[O-] ZINC000302192076 456312864 /nfs/dbraw/zinc/31/28/64/456312864.db2.gz ZLTOPNMQJZXANL-ZBFHGGJFSA-N 1 0 326.400 3.231 20 5 EGBDRO CCN1CCCN(c2cc(C)c([N+](=O)[O-])cc2Br)CC1 ZINC000302672446 456372322 /nfs/dbraw/zinc/37/23/22/456372322.db2.gz KZXJNOSQWOQLEO-UHFFFAOYSA-N 1 0 342.237 3.198 20 5 EGBDRO COc1ccc([C@@H](C[NH+]2CCCC2)Nc2ncc([N+](=O)[O-])s2)cc1 ZINC000281976956 456379751 /nfs/dbraw/zinc/37/97/51/456379751.db2.gz RUVBDOBXVPDANH-CQSZACIVSA-N 1 0 348.428 3.309 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3ccc4occc4c3)C2)nc1 ZINC000347844013 456400955 /nfs/dbraw/zinc/40/09/55/456400955.db2.gz AVQZOOCCMIQKGW-HNNXBMFYSA-N 1 0 338.367 3.422 20 5 EGBDRO COCCCOc1ccc(CNCc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000352902485 456402648 /nfs/dbraw/zinc/40/26/48/456402648.db2.gz NGBGQLBGQIXASZ-UHFFFAOYSA-N 1 0 348.374 3.439 20 5 EGBDRO O=C1[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCN1C1CCCCC1 ZINC000276164536 456403398 /nfs/dbraw/zinc/40/33/98/456403398.db2.gz HOKMAEVFXXMBBS-KRWDZBQOSA-N 1 0 331.416 3.008 20 5 EGBDRO C[N@H+](CCNc1c2c(ccc1[N+](=O)[O-])NCC2)Cc1ccccc1 ZINC000302831199 456413263 /nfs/dbraw/zinc/41/32/63/456413263.db2.gz LAZMUQFVGOMZPL-UHFFFAOYSA-N 1 0 326.400 3.107 20 5 EGBDRO Cc1noc(C)c1C(C)(C)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000298476220 456467236 /nfs/dbraw/zinc/46/72/36/456467236.db2.gz IWUAUGMGOPIXOV-UHFFFAOYSA-N 1 0 346.387 3.053 20 5 EGBDRO CCc1ccc(C(=O)N(CC)CCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000276473177 456492097 /nfs/dbraw/zinc/49/20/97/456492097.db2.gz PMJWZWXIQVNDQX-UHFFFAOYSA-N 1 0 333.432 3.105 20 5 EGBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)CCC(=O)N2 ZINC000298572583 456494015 /nfs/dbraw/zinc/49/40/15/456494015.db2.gz QLRNVOVHZSROJW-LBPRGKRZSA-N 1 0 325.368 3.330 20 5 EGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CC[C@](CO)(c2ccccc2)C1 ZINC000291182759 456557684 /nfs/dbraw/zinc/55/76/84/456557684.db2.gz FVHVARXLODVIRF-SFHVURJKSA-N 1 0 346.814 3.384 20 5 EGBDRO Cc1cc([N+](=O)[O-])cnc1N[C@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000310285047 456581632 /nfs/dbraw/zinc/58/16/32/456581632.db2.gz LZCIYLVQUPLRLO-YOEHRIQHSA-N 1 0 326.400 3.373 20 5 EGBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000353288671 456614469 /nfs/dbraw/zinc/61/44/69/456614469.db2.gz BOVQZPBHWPJEAL-CYBMUJFWSA-N 1 0 336.436 3.454 20 5 EGBDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000291398709 456632855 /nfs/dbraw/zinc/63/28/55/456632855.db2.gz BCDUIVHISWWPHV-VIFPVBQESA-N 1 0 348.230 3.362 20 5 EGBDRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000353329240 456642579 /nfs/dbraw/zinc/64/25/79/456642579.db2.gz KEEDWRDFUHUCKU-DOMZBBRYSA-N 1 0 346.387 3.439 20 5 EGBDRO Cc1c(C(=O)N[C@@H](CCC[NH3+])c2ccccc2)cccc1[N+](=O)[O-] ZINC000326808149 456699708 /nfs/dbraw/zinc/69/97/08/456699708.db2.gz CRXFQFOFWYGUDD-INIZCTEOSA-N 1 0 327.384 3.113 20 5 EGBDRO C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000343561034 456707310 /nfs/dbraw/zinc/70/73/10/456707310.db2.gz HUMKGZSAPCJZSY-KBPBESRZSA-N 1 0 339.395 3.051 20 5 EGBDRO Cc1cccc(C)c1OC[C@H](O)C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000327825079 456709011 /nfs/dbraw/zinc/70/90/11/456709011.db2.gz HOLJOPAEIWDRIM-QGZVFWFLSA-N 1 0 344.411 3.050 20 5 EGBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)cc1F ZINC000283252674 456744611 /nfs/dbraw/zinc/74/46/11/456744611.db2.gz VMWYQHSTWLUNEK-CZUORRHYSA-N 1 0 334.347 3.415 20 5 EGBDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1csc([N+](=O)[O-])c1 ZINC000338437131 456819251 /nfs/dbraw/zinc/81/92/51/456819251.db2.gz DELFKUHPGYZRSG-CYBMUJFWSA-N 1 0 325.434 3.041 20 5 EGBDRO CO[C@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1(C)C ZINC000344700530 456848834 /nfs/dbraw/zinc/84/88/34/456848834.db2.gz QKEJVPFDQXIDSX-STQMWFEESA-N 1 0 330.331 3.099 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1cn2c(n1)SCC2 ZINC000344755080 456855595 /nfs/dbraw/zinc/85/55/95/456855595.db2.gz BNNQMVHTJMFOPY-LCYFTJDESA-N 1 0 344.440 3.133 20 5 EGBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccc([S@](C)=O)cc1 ZINC000338957140 456875561 /nfs/dbraw/zinc/87/55/61/456875561.db2.gz DQBKDSVZJYRBAJ-QHCPKHFHSA-N 1 0 332.425 3.007 20 5 EGBDRO CCOc1ccc([C@@H](C)[NH2+]CCCN2CCCCC2=O)cc1[N+](=O)[O-] ZINC000349199334 456911795 /nfs/dbraw/zinc/91/17/95/456911795.db2.gz DJYVVPUANFFWOM-CQSZACIVSA-N 1 0 349.431 3.047 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[N@@H+](C[C@@H](O)Cc1ccc(F)cc1)C1CC1 ZINC000339043509 456912442 /nfs/dbraw/zinc/91/24/42/456912442.db2.gz HMYKKFWVMVQULO-SFHVURJKSA-N 1 0 344.386 3.302 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[N@@H+](C[C@H](O)Cc1ccc(F)cc1)C1CC1 ZINC000339043506 456912718 /nfs/dbraw/zinc/91/27/18/456912718.db2.gz HMYKKFWVMVQULO-GOSISDBHSA-N 1 0 344.386 3.302 20 5 EGBDRO C[C@H](O)C[C@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000339050953 456916478 /nfs/dbraw/zinc/91/64/78/456916478.db2.gz BQAXPZXBQCVDLG-CMPLNLGQSA-N 1 0 332.322 3.349 20 5 EGBDRO COc1ccc(-c2ccc(C[N@H+]3CC[C@@H](OC)C3)o2)c([N+](=O)[O-])c1 ZINC000353841076 456931255 /nfs/dbraw/zinc/93/12/55/456931255.db2.gz DJTNDDFAWVZIPP-CYBMUJFWSA-N 1 0 332.356 3.084 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC1([C@@H](C)CCO)CCC1 ZINC000345147106 456941964 /nfs/dbraw/zinc/94/19/64/456941964.db2.gz VDYGGZLKAJIJRO-AWEZNQCLSA-N 1 0 336.432 3.272 20 5 EGBDRO C[C@H]1CCC[C@@](CNC(=O)Nc2cccc([N+](=O)[O-])c2)([NH+](C)C)C1 ZINC000339102818 456942321 /nfs/dbraw/zinc/94/23/21/456942321.db2.gz UYTYEUKSAHPBCC-SUMWQHHRSA-N 1 0 334.420 3.227 20 5 EGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCc1cnccn1 ZINC000341886236 456986321 /nfs/dbraw/zinc/98/63/21/456986321.db2.gz XQBDONVDJLZEOW-CYBMUJFWSA-N 1 0 332.429 3.088 20 5 EGBDRO CN(c1ccccc1)c1ccc(C[N@@H+]2CC[C@@](C)(O)C2)cc1[N+](=O)[O-] ZINC000354044681 457029402 /nfs/dbraw/zinc/02/94/02/457029402.db2.gz LMTOEHTYMDAQAX-LJQANCHMSA-N 1 0 341.411 3.319 20 5 EGBDRO CC(C)C[C@H]([NH3+])c1noc(CCCNc2ccc([N+](=O)[O-])cc2)n1 ZINC000339359681 457067117 /nfs/dbraw/zinc/06/71/17/457067117.db2.gz JSLRLMFIVYIIDO-AWEZNQCLSA-N 1 0 333.392 3.068 20 5 EGBDRO Cc1ccc(NC(=O)c2ccc(NCC(C)(C)[NH3+])c([N+](=O)[O-])c2)cc1 ZINC000346642301 457086776 /nfs/dbraw/zinc/08/67/76/457086776.db2.gz YDBPLWODTNJEJN-UHFFFAOYSA-N 1 0 342.399 3.305 20 5 EGBDRO C[C@H]1C[C@@H](C(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CC[N@@H+]1C ZINC000331476636 457191941 /nfs/dbraw/zinc/19/19/41/457191941.db2.gz DDCGNQRQGQPXOM-XIRDDKMYSA-N 1 0 345.443 3.031 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](CC2CC2)C1 ZINC000339673533 457204394 /nfs/dbraw/zinc/20/43/94/457204394.db2.gz OYODWIYPRAHTKE-OAHLLOKOSA-N 1 0 331.416 3.354 20 5 EGBDRO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](CC3CC3)C2)cccc1[N+](=O)[O-] ZINC000339686573 457212959 /nfs/dbraw/zinc/21/29/59/457212959.db2.gz NRGCTESAXKPDMU-ZFWWWQNUSA-N 1 0 331.416 3.352 20 5 EGBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@H](c1cccs1)C1CC1 ZINC000342299429 457222588 /nfs/dbraw/zinc/22/25/88/457222588.db2.gz BFOCQUNBGIYDPJ-GUYCJALGSA-N 1 0 348.424 3.137 20 5 EGBDRO Cc1nc(C)n(C[C@H]2CCC[N@@H+]([C@@H](C)c3ccccc3[N+](=O)[O-])C2)n1 ZINC000331722387 457238495 /nfs/dbraw/zinc/23/84/95/457238495.db2.gz KFFLKFVHJQHAAI-BBRMVZONSA-N 1 0 343.431 3.276 20 5 EGBDRO C[C@H]1CCC[C@H](C[NH+]2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000339740785 457243634 /nfs/dbraw/zinc/24/36/34/457243634.db2.gz LFISQNKDRHZIFO-HOTGVXAUSA-N 1 0 345.443 3.179 20 5 EGBDRO O=C(NCCCCC[NH+]1CCCCC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000347168465 457267300 /nfs/dbraw/zinc/26/73/00/457267300.db2.gz WLUHWADCRZYJCB-UHFFFAOYSA-N 1 0 337.395 3.120 20 5 EGBDRO CC[C@@H]1[C@H](C)CC[N@@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000360476805 457312872 /nfs/dbraw/zinc/31/28/72/457312872.db2.gz IWDQTDHBJNUBDE-TZMCWYRMSA-N 1 0 333.388 3.013 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H]1C(C)(C)C ZINC000355341739 457361331 /nfs/dbraw/zinc/36/13/31/457361331.db2.gz KEKXHTMTHABMEV-MRXNPFEDSA-N 1 0 349.431 3.443 20 5 EGBDRO CC[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000363587692 457373072 /nfs/dbraw/zinc/37/30/72/457373072.db2.gz SYTZBKKUJZHECX-HOTGVXAUSA-N 1 0 328.416 3.487 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(N2CCCC2=O)CC1 ZINC000347375069 457385456 /nfs/dbraw/zinc/38/54/56/457385456.db2.gz ZAHGLVBKOROGRV-NTCAYCPXSA-N 1 0 343.427 3.085 20 5 EGBDRO CCCC[NH+]1CCC(Nc2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000347428652 457422336 /nfs/dbraw/zinc/42/23/36/457422336.db2.gz LUZNBSFTCIDYGA-UHFFFAOYSA-N 1 0 329.404 3.214 20 5 EGBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCC[N@H+](C)C(C)C ZINC000360932593 457441340 /nfs/dbraw/zinc/44/13/40/457441340.db2.gz WNULACDYWVYTRQ-INIZCTEOSA-N 1 0 335.448 3.010 20 5 EGBDRO CC[N@@H+](Cc1ccccc1C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000357325104 457446941 /nfs/dbraw/zinc/44/69/41/457446941.db2.gz SNANTHKITLUBLH-SFHVURJKSA-N 1 0 344.411 3.165 20 5 EGBDRO [NH3+]CC[C@@H]1CCCCN1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000352540514 457450432 /nfs/dbraw/zinc/45/04/32/457450432.db2.gz MDQNIOUYXWKGGU-HNNXBMFYSA-N 1 0 346.456 3.422 20 5 EGBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000360962463 457470705 /nfs/dbraw/zinc/47/07/05/457470705.db2.gz ZYLUYLIUDKWMRX-MRXNPFEDSA-N 1 0 349.479 3.068 20 5 EGBDRO CC(C)(C)c1ccc(C(=O)NC[C@]2(C)CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000342762309 457507467 /nfs/dbraw/zinc/50/74/67/457507467.db2.gz VHSOFVANWWRVSM-GOSISDBHSA-N 1 0 333.432 3.012 20 5 EGBDRO O=[N+]([O-])c1ccccc1CN1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425354287 457516674 /nfs/dbraw/zinc/51/66/74/457516674.db2.gz ROCJVSHFEVUYGI-AZUAARDMSA-N 1 0 337.423 3.301 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)C1CCC(F)(F)CC1 ZINC000347602503 457541934 /nfs/dbraw/zinc/54/19/34/457541934.db2.gz PZXJJHVHEFIYNP-UHFFFAOYSA-N 1 0 341.358 3.351 20 5 EGBDRO C[C@H]1C[C@@H](C(C)(C)C)CC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000347607847 457546755 /nfs/dbraw/zinc/54/67/55/457546755.db2.gz WIICCWGKFQYKPP-WFASDCNBSA-N 1 0 333.432 3.340 20 5 EGBDRO CC[C@@H]1CC[C@H](C)[N@@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000357554870 457593423 /nfs/dbraw/zinc/59/34/23/457593423.db2.gz SUNYATUXUISUHB-QWHCGFSZSA-N 1 0 333.388 3.156 20 5 EGBDRO CNc1c(C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000361125165 457596466 /nfs/dbraw/zinc/59/64/66/457596466.db2.gz VSKLSYFYKFMOMQ-AWEZNQCLSA-N 1 0 348.447 3.021 20 5 EGBDRO C[C@@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[C@@H](C)C[N@@H+]1C ZINC000361153851 457617011 /nfs/dbraw/zinc/61/70/11/457617011.db2.gz KRQZTJUKJJMOGO-KGLIPLIRSA-N 1 0 329.400 3.379 20 5 EGBDRO CC(C)(C)c1ccc(C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1[N+](=O)[O-] ZINC000374632219 457676726 /nfs/dbraw/zinc/67/67/26/457676726.db2.gz QIWHHHNTRFLFEZ-DZKIICNBSA-N 1 0 345.443 3.092 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H](C)CCC[C@H]1C ZINC000357747888 457676858 /nfs/dbraw/zinc/67/68/58/457676858.db2.gz RCOSGUYSSMZHEJ-ZIAGYGMSSA-N 1 0 349.431 3.443 20 5 EGBDRO C[C@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)[N@@H+]1CCC[C@@H](C)C1 ZINC000357838494 457707256 /nfs/dbraw/zinc/70/72/56/457707256.db2.gz LEPKNJXWSRMYID-CHWSQXEVSA-N 1 0 345.399 3.191 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+]([C@@H]3CCc4ccc(F)cc43)C2)nc1 ZINC000361399043 457718063 /nfs/dbraw/zinc/71/80/63/457718063.db2.gz CDIZHWUQIVUATB-RHSMWYFYSA-N 1 0 342.374 3.303 20 5 EGBDRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1csc([N+](=O)[O-])c1)[NH+](C)C ZINC000357875109 457720463 /nfs/dbraw/zinc/72/04/63/457720463.db2.gz RRJVPRKJONIGNJ-BLLLJJGKSA-N 1 0 347.440 3.386 20 5 EGBDRO CC1(C)C[C@H]([NH2+]CCOCC(F)(F)F)c2cc([N+](=O)[O-])ccc21 ZINC000433149655 457766181 /nfs/dbraw/zinc/76/61/81/457766181.db2.gz JPCJHYNNUPDKKJ-ZDUSSCGKSA-N 1 0 332.322 3.486 20 5 EGBDRO C[C@@H]1C[C@H](C)CC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000443656472 457798897 /nfs/dbraw/zinc/79/88/97/457798897.db2.gz LOXXCMYAFBZNTH-CPUCHLNUSA-N 1 0 331.416 3.068 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CC[C@H]([C@H]4CCOC4)C3)co2)cc1 ZINC000371187322 457820809 /nfs/dbraw/zinc/82/08/09/457820809.db2.gz BIALIJJHXKHYDF-GJZGRUSLSA-N 1 0 343.383 3.108 20 5 EGBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CC[C@H]([C@H]3CCOC3)C2)c1 ZINC000371312349 457860170 /nfs/dbraw/zinc/86/01/70/457860170.db2.gz CAFODELGHZSAHK-RYUDHWBXSA-N 1 0 342.342 3.055 20 5 EGBDRO CC(C)c1ccc(C[NH2+][C@@H]2CCC(=O)NC23CCC3)cc1[N+](=O)[O-] ZINC000367033703 457921564 /nfs/dbraw/zinc/92/15/64/457921564.db2.gz PRYSKFUSVXNZLX-MRXNPFEDSA-N 1 0 331.416 3.009 20 5 EGBDRO CCO[C@@H]1C[C@@H](N(C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1(C)C ZINC000444635288 457923260 /nfs/dbraw/zinc/92/32/60/457923260.db2.gz AGQDOZGDKYFIFP-HUUCEWRRSA-N 1 0 332.404 3.107 20 5 EGBDRO COCC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCC[C@@H]1C ZINC000411628210 457932462 /nfs/dbraw/zinc/93/24/62/457932462.db2.gz RJKFIESJJUAALP-HOCLYGCPSA-N 1 0 349.431 3.060 20 5 EGBDRO CCC1(CC)[C@H]([N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1OC ZINC000444667636 457932798 /nfs/dbraw/zinc/93/27/98/457932798.db2.gz YOXSABCFOIHRPL-CVEARBPZSA-N 1 0 346.431 3.497 20 5 EGBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000458181917 457958923 /nfs/dbraw/zinc/95/89/23/457958923.db2.gz DQXLNMVFMBGFPH-IAGOWNOFSA-N 1 0 347.459 3.012 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(OCC[NH+](C)C)c2)c1 ZINC000358379655 457965682 /nfs/dbraw/zinc/96/56/82/457965682.db2.gz PVLABEKVNHYFKF-UHFFFAOYSA-N 1 0 343.383 3.096 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H](C(C)C)C1 ZINC000444765320 457969502 /nfs/dbraw/zinc/96/95/02/457969502.db2.gz DPXYWPPSMIGDRS-AWEZNQCLSA-N 1 0 349.431 3.300 20 5 EGBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000367933890 458000038 /nfs/dbraw/zinc/00/00/38/458000038.db2.gz DHFROEAHZDDGJX-OAHLLOKOSA-N 1 0 331.416 3.252 20 5 EGBDRO COc1cc(C[NH2+][C@H](C)[C@@](C)(OC)C2CC2)c([N+](=O)[O-])cc1F ZINC000411974284 458029517 /nfs/dbraw/zinc/02/95/17/458029517.db2.gz TUITXDBFKYICGI-QLJPJBMISA-N 1 0 326.368 3.036 20 5 EGBDRO CC(C)[C@@H](CC(F)(F)F)[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000445884427 458110330 /nfs/dbraw/zinc/11/03/30/458110330.db2.gz HKRVNEGXTCYWNU-CYBMUJFWSA-N 1 0 347.337 3.124 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH+]3CC([C@H]4CCOC4)C3)o2)c1 ZINC000376022626 458167138 /nfs/dbraw/zinc/16/71/38/458167138.db2.gz UBYQYDZHIGBEGF-AWEZNQCLSA-N 1 0 328.368 3.323 20 5 EGBDRO Cc1cc(N[C@@H]2Cc3cccc(O)c3C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000428678177 458189934 /nfs/dbraw/zinc/18/99/34/458189934.db2.gz GNPDGTMGCMSHNX-CYBMUJFWSA-N 1 0 335.363 3.158 20 5 EGBDRO COc1cc(C[N@@H+]2CCC[C@@](C)(OC)CC2)c([N+](=O)[O-])cc1F ZINC000376111645 458199566 /nfs/dbraw/zinc/19/95/66/458199566.db2.gz IVZOCYCCLQGBAT-MRXNPFEDSA-N 1 0 326.368 3.134 20 5 EGBDRO C[N@H+](CCCCNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000459170073 458280908 /nfs/dbraw/zinc/28/09/08/458280908.db2.gz WOKBHXIOQYUZSK-UHFFFAOYSA-N 1 0 348.447 3.004 20 5 EGBDRO COc1cc(C[N@H+](CCO)CC2CCCCC2)c([N+](=O)[O-])cc1F ZINC000362582723 458283231 /nfs/dbraw/zinc/28/32/31/458283231.db2.gz BDCYUZBJZGQZMQ-UHFFFAOYSA-N 1 0 340.395 3.117 20 5 EGBDRO C[N@H+]1Cc2ccccc2[C@@H](Nc2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000376406046 458291926 /nfs/dbraw/zinc/29/19/26/458291926.db2.gz HIMKFFISPFHHBP-ZDUSSCGKSA-N 1 0 341.396 3.198 20 5 EGBDRO CSc1cccc(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000376409287 458292735 /nfs/dbraw/zinc/29/27/35/458292735.db2.gz RRINFPIHWNSBJE-STQMWFEESA-N 1 0 349.456 3.016 20 5 EGBDRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](Nc2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000436415198 458302261 /nfs/dbraw/zinc/30/22/61/458302261.db2.gz WNHRBCWYISFTNV-KOLCDFICSA-N 1 0 332.326 3.149 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H]1Cc2ccccc2N(C)C1 ZINC000436420208 458302845 /nfs/dbraw/zinc/30/28/45/458302845.db2.gz YONAOPSGNANBRS-OAHLLOKOSA-N 1 0 325.412 3.302 20 5 EGBDRO CCOc1ccc(NC(=O)C[N@H+](C)[C@@H]2CC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000429596821 458351625 /nfs/dbraw/zinc/35/16/25/458351625.db2.gz ZUGAVVQFPMCHSH-CHWSQXEVSA-N 1 0 335.404 3.052 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C\c1nc(-c2ccn3c[nH+]cc3c2)no1 ZINC000447966904 458372439 /nfs/dbraw/zinc/37/24/39/458372439.db2.gz XQLGTLQTONBFPB-WAYWQWQTSA-N 1 0 333.307 3.463 20 5 EGBDRO CC1CC[NH+](CCCNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000429911211 458382106 /nfs/dbraw/zinc/38/21/06/458382106.db2.gz RMOWLSBRYCZURV-UHFFFAOYSA-N 1 0 347.459 3.111 20 5 EGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423503486 458444863 /nfs/dbraw/zinc/44/48/63/458444863.db2.gz FURXPMBXXUEVJK-ZYSHUDEJSA-N 1 0 339.439 3.261 20 5 EGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@@H]2CCC(F)(F)C2)n1 ZINC000430742346 458486967 /nfs/dbraw/zinc/48/69/67/458486967.db2.gz WETAZUFABIXCAW-JHJVBQTASA-N 1 0 328.363 3.300 20 5 EGBDRO [NH3+][C@H]1CCCCCC[C@@H]1C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423835824 458494505 /nfs/dbraw/zinc/49/45/05/458494505.db2.gz DXHZQOQWVCKEML-ZFWWWQNUSA-N 1 0 339.823 3.162 20 5 EGBDRO CCCN(CCC[NH+](C)C)c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000469032716 458551336 /nfs/dbraw/zinc/55/13/36/458551336.db2.gz NYTRVQGNDZYZMR-UHFFFAOYSA-N 1 0 331.363 3.364 20 5 EGBDRO CCC1(CC)CC[N@@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000438505067 458588527 /nfs/dbraw/zinc/58/85/27/458588527.db2.gz MJMXHNZNMCJUCH-CYBMUJFWSA-N 1 0 349.431 3.443 20 5 EGBDRO [NH3+]C1(c2noc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)n2)CCCCC1 ZINC000424339612 458620812 /nfs/dbraw/zinc/62/08/12/458620812.db2.gz DJLDVVWEJSQMJR-UHFFFAOYSA-N 1 0 341.371 3.168 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@H]2CCn3ccnc3C2)o1 ZINC000494422190 458673863 /nfs/dbraw/zinc/67/38/63/458673863.db2.gz BKFPOXJRHBNGMA-CYBMUJFWSA-N 1 0 338.367 3.156 20 5 EGBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2CCCCC23CCCC3)c1 ZINC000463446975 458700466 /nfs/dbraw/zinc/70/04/66/458700466.db2.gz VDTICMDSOAUKMV-SJLPKXTDSA-N 1 0 348.443 3.427 20 5 EGBDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cn1 ZINC000439689405 458740242 /nfs/dbraw/zinc/74/02/42/458740242.db2.gz BSRXOBRJIRGJLV-QGZVFWFLSA-N 1 0 340.427 3.338 20 5 EGBDRO COc1ccc(-c2ccc(C[N@H+](CCO)C3CCC3)o2)c([N+](=O)[O-])c1 ZINC000439765225 458749103 /nfs/dbraw/zinc/74/91/03/458749103.db2.gz IZCGYLCWZQKGGY-UHFFFAOYSA-N 1 0 346.383 3.210 20 5 EGBDRO C[NH+](C)[C@H](CNC(=O)c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000530831206 458832700 /nfs/dbraw/zinc/83/27/00/458832700.db2.gz XHYIKCVQKBSKHR-MRXNPFEDSA-N 1 0 347.802 3.281 20 5 EGBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000457114178 458872825 /nfs/dbraw/zinc/87/28/25/458872825.db2.gz KIYFZCRFCAJXFQ-HNNXBMFYSA-N 1 0 347.459 3.447 20 5 EGBDRO CCC[C@H]1CCC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000466474514 458900641 /nfs/dbraw/zinc/90/06/41/458900641.db2.gz OVDVQCNNRJGLST-WMLDXEAASA-N 1 0 331.416 3.212 20 5 EGBDRO CCC[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000466486464 458901455 /nfs/dbraw/zinc/90/14/55/458901455.db2.gz MPRWACYYZFZIQZ-UONOGXRCSA-N 1 0 349.431 3.443 20 5 EGBDRO COc1ccc(OCC[N@H+](C)Cc2sccc2C)c([N+](=O)[O-])c1 ZINC000441268534 458908324 /nfs/dbraw/zinc/90/83/24/458908324.db2.gz RFAZYBCKEIYJNF-UHFFFAOYSA-N 1 0 336.413 3.484 20 5 EGBDRO CC[C@@H]1CCCCN1CC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000556064320 458924864 /nfs/dbraw/zinc/92/48/64/458924864.db2.gz YKBRRDUQAGBPTK-BRWVUGGUSA-N 1 0 349.479 3.129 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@]1(CO)Cc1ccccc1 ZINC000475373170 458940484 /nfs/dbraw/zinc/94/04/84/458940484.db2.gz WEVDMKMNMSWVNU-HXUWFJFHSA-N 1 0 340.423 3.473 20 5 EGBDRO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](CC(C)C)C2)c([N+](=O)[O-])c1 ZINC000467177782 458956067 /nfs/dbraw/zinc/95/60/67/458956067.db2.gz XOZOQEVHDUTHCN-UONOGXRCSA-N 1 0 349.431 3.298 20 5 EGBDRO C[N@H+]1CC=C(CN[C@@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)CC1 ZINC000519829768 459013135 /nfs/dbraw/zinc/01/31/35/459013135.db2.gz QOLARIQNPYBSSL-AWEZNQCLSA-N 1 0 329.322 3.050 20 5 EGBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCCC[C@H]2N2CCOCC2)cccc1[N+](=O)[O-] ZINC000532248671 459053458 /nfs/dbraw/zinc/05/34/58/459053458.db2.gz AUVSRCWUHDMJCM-KVSKMBFKSA-N 1 0 347.459 3.197 20 5 EGBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[NH+](CC2CCCCC2)CC1 ZINC000557490908 459078423 /nfs/dbraw/zinc/07/84/23/459078423.db2.gz XNMLLHCJZKYTHU-UHFFFAOYSA-N 1 0 345.443 3.500 20 5 EGBDRO CCC(C)(C)[NH+]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000594594761 459102312 /nfs/dbraw/zinc/10/23/12/459102312.db2.gz RGNGYRHAAFOVBS-UHFFFAOYSA-N 1 0 328.416 3.454 20 5 EGBDRO CCCC[N@H+](C)C[C@@H](C)Nc1ncc([N+](=O)[O-])cc1Br ZINC000577908991 459115341 /nfs/dbraw/zinc/11/53/41/459115341.db2.gz WJMXKLNZYAOALF-SNVBAGLBSA-N 1 0 345.241 3.285 20 5 EGBDRO C[N@@H+]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC12CCCCC2 ZINC000578023388 459134377 /nfs/dbraw/zinc/13/43/77/459134377.db2.gz VZNCPFUFHDUZFY-UHFFFAOYSA-N 1 0 344.415 3.186 20 5 EGBDRO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000590603479 459160239 /nfs/dbraw/zinc/16/02/39/459160239.db2.gz YZQWFJLNMODNOD-HNNXBMFYSA-N 1 0 347.459 3.311 20 5 EGBDRO C[C@H](CCc1ccccc1)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000533058439 459182558 /nfs/dbraw/zinc/18/25/58/459182558.db2.gz LNXONPDJOBRMOH-NVXWUHKLSA-N 1 0 340.427 3.497 20 5 EGBDRO C[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]2CCCC[C@@H]12 ZINC000533239859 459207014 /nfs/dbraw/zinc/20/70/14/459207014.db2.gz XBIFMRQCUQJGFP-IJEWVQPXSA-N 1 0 331.416 3.434 20 5 EGBDRO COc1cccc2c1CN(CCOc1ccccc1[N+](=O)[O-])CC2 ZINC000590759672 459208032 /nfs/dbraw/zinc/20/80/32/459208032.db2.gz GJKGDFQLWPYCEF-UHFFFAOYSA-N 1 0 328.368 3.041 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCc1cn2c(n1)CCCC2 ZINC000595008275 459214121 /nfs/dbraw/zinc/21/41/21/459214121.db2.gz UGXIRBFAWXNGAF-CYBMUJFWSA-N 1 0 344.415 3.030 20 5 EGBDRO COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](C(C)C)CC2)c([N+](=O)[O-])c1 ZINC000533298700 459214368 /nfs/dbraw/zinc/21/43/68/459214368.db2.gz ASJNFPYNFNRDLQ-CQSZACIVSA-N 1 0 349.431 3.300 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1COc2ccccc2C1 ZINC000595017422 459216845 /nfs/dbraw/zinc/21/68/45/459216845.db2.gz VHTVHUDCWYGLLR-JSGCOSHPSA-N 1 0 328.368 3.258 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC1CC[NH+](CC2CC2)CC1 ZINC000595018905 459217930 /nfs/dbraw/zinc/21/79/30/459217930.db2.gz UNJLIKDSCIOFBD-CYBMUJFWSA-N 1 0 333.432 3.128 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCc1ccc2c[nH]nc2c1 ZINC000595051669 459229132 /nfs/dbraw/zinc/22/91/32/459229132.db2.gz UPCRYKBGZSFNAN-GFCCVEGCSA-N 1 0 340.383 3.373 20 5 EGBDRO Cc1cccc(CCC[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000481120592 459234403 /nfs/dbraw/zinc/23/44/03/459234403.db2.gz SPIQPWDGEXUTAD-KRWDZBQOSA-N 1 0 340.427 3.417 20 5 EGBDRO CNC(=O)CC1(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000595106628 459246963 /nfs/dbraw/zinc/24/69/63/459246963.db2.gz WDUQLKUHDCOKSC-CQSZACIVSA-N 1 0 333.432 3.332 20 5 EGBDRO CC[C@H]1[C@@H](C)CC[N@@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000481407410 459252951 /nfs/dbraw/zinc/25/29/51/459252951.db2.gz YPQAVFQMMTVUKU-GWCFXTLKSA-N 1 0 325.796 3.307 20 5 EGBDRO CN(Cc1ccc(F)cc1[N+](=O)[O-])C[C@@H]1COc2ccccc2O1 ZINC000595286399 459266717 /nfs/dbraw/zinc/26/67/17/459266717.db2.gz GZHJVLGMRDKAQF-CQSZACIVSA-N 1 0 332.331 3.006 20 5 EGBDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1C ZINC000522845832 459267112 /nfs/dbraw/zinc/26/71/12/459267112.db2.gz DFRSGZYRHOGUGX-OAHLLOKOSA-N 1 0 333.432 3.288 20 5 EGBDRO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@@H](C3CCC3)C2)c([N+](=O)[O-])c1 ZINC000591062060 459302647 /nfs/dbraw/zinc/30/26/47/459302647.db2.gz TVNDQYCXJATGHV-CQSZACIVSA-N 1 0 347.415 3.054 20 5 EGBDRO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](C3CCC3)C2)c([N+](=O)[O-])c1 ZINC000591061951 459303481 /nfs/dbraw/zinc/30/34/81/459303481.db2.gz PEFZSGGNSHVLFW-OCCSQVGLSA-N 1 0 347.415 3.052 20 5 EGBDRO CC(C)[N@@H+]1CC[C@@H](CNc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)C1 ZINC000560193549 459310328 /nfs/dbraw/zinc/31/03/28/459310328.db2.gz KJMACZOXJMJEAJ-ZDUSSCGKSA-N 1 0 346.456 3.282 20 5 EGBDRO C[C@H]1CC[N@H+](CCN[C@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)C1 ZINC000582246048 459334039 /nfs/dbraw/zinc/33/40/39/459334039.db2.gz JNTVFVIDLYLZKA-SMDDNHRTSA-N 1 0 331.338 3.130 20 5 EGBDRO COc1ccc([C@@H](CO)C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000591245110 459340397 /nfs/dbraw/zinc/34/03/97/459340397.db2.gz KAXBNLPTCFYRDJ-GOEBONIOSA-N 1 0 344.411 3.339 20 5 EGBDRO CCOC[C@@H]1CCC[C@@H]1[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000568795784 459346612 /nfs/dbraw/zinc/34/66/12/459346612.db2.gz FQFOTSNTVCTMHO-YOEHRIQHSA-N 1 0 331.416 3.413 20 5 EGBDRO CC(C)(C)[C@@H]1CCC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000483237468 459352719 /nfs/dbraw/zinc/35/27/19/459352719.db2.gz VUOAAHQBMFIYPI-OAHLLOKOSA-N 1 0 345.443 3.242 20 5 EGBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000497078525 459430940 /nfs/dbraw/zinc/43/09/40/459430940.db2.gz GRMLWCPWNXOXDG-CQSZACIVSA-N 1 0 333.432 3.106 20 5 EGBDRO O=[N+]([O-])c1sccc1N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000591829870 459450441 /nfs/dbraw/zinc/45/04/41/459450441.db2.gz IWTWZGRBGVZTLN-GOEBONIOSA-N 1 0 329.425 3.367 20 5 EGBDRO CC(C)(C)[C@@H]1CC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000541388849 459453324 /nfs/dbraw/zinc/45/33/24/459453324.db2.gz DDDXGTBTVNBWSV-CZUORRHYSA-N 1 0 331.416 3.068 20 5 EGBDRO CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000569553718 459469904 /nfs/dbraw/zinc/46/99/04/459469904.db2.gz POLIKUUSHZCJRM-OKZBNKHCSA-N 1 0 345.443 3.031 20 5 EGBDRO COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000595898500 459479894 /nfs/dbraw/zinc/47/98/94/459479894.db2.gz PSAYPLPCSWWASB-ZWNONLRRSA-N 1 0 332.400 3.142 20 5 EGBDRO CN(CC(C)(C)[NH3+])C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000595941882 459488387 /nfs/dbraw/zinc/48/83/87/459488387.db2.gz DKCXWAPWDWZJID-UHFFFAOYSA-N 1 0 343.383 3.196 20 5 EGBDRO CC(C)C[C@H](C[NH3+])CC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000595933780 459489243 /nfs/dbraw/zinc/48/92/43/459489243.db2.gz ZEWDWVHNRIJNCH-HNNXBMFYSA-N 1 0 333.432 3.097 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000562114616 459512127 /nfs/dbraw/zinc/51/21/27/459512127.db2.gz YZIRMZJMQPSMSB-LBPRGKRZSA-N 1 0 336.436 3.255 20 5 EGBDRO O=[N+]([O-])c1cccc(Br)c1N1CC[C@H]([NH+]2CCCC2)C1 ZINC000596103866 459522355 /nfs/dbraw/zinc/52/23/55/459522355.db2.gz HIBFONIUTDDNKN-NSHDSACASA-N 1 0 340.221 3.032 20 5 EGBDRO Cc1cc(NCCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c([N+](=O)[O-])s1 ZINC000596156428 459541185 /nfs/dbraw/zinc/54/11/85/459541185.db2.gz QJFNQFHVNYPHNG-RYUDHWBXSA-N 1 0 327.450 3.266 20 5 EGBDRO Cc1cc(C(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000498406639 459589491 /nfs/dbraw/zinc/58/94/91/459589491.db2.gz RHXGPNCECYFHSC-HZPDHXFCSA-N 1 0 347.459 3.391 20 5 EGBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNc2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000596305841 459589660 /nfs/dbraw/zinc/58/96/60/459589660.db2.gz BBYOGZXHZPOKHL-JTQLQIEISA-N 1 0 335.433 3.132 20 5 EGBDRO CC[NH+](CC)[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(C)c1)CC(C)C ZINC000498457694 459590588 /nfs/dbraw/zinc/59/05/88/459590588.db2.gz ORFHCGSXASFLJU-INIZCTEOSA-N 1 0 335.448 3.390 20 5 EGBDRO C[C@@H](C[NH+]1CCC(C)CC1)Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000596487697 459653860 /nfs/dbraw/zinc/65/38/60/459653860.db2.gz JTOAQOUJSLVXDC-ZDUSSCGKSA-N 1 0 346.431 3.012 20 5 EGBDRO CC[C@H]1CCCC[N@@H+]1CCNc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000500404858 459678815 /nfs/dbraw/zinc/67/88/15/459678815.db2.gz FYEKJHYVOGCNQC-HNNXBMFYSA-N 1 0 328.416 3.241 20 5 EGBDRO CCCN(C(=O)c1cc2cc([N+](=O)[O-])ccc2s1)[C@H]1CC[N@H+](C)C1 ZINC000592832792 459700490 /nfs/dbraw/zinc/70/04/90/459700490.db2.gz WDTPACWJQZHHFM-AWEZNQCLSA-N 1 0 347.440 3.366 20 5 EGBDRO Cc1ccc(NC(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000596626236 459703789 /nfs/dbraw/zinc/70/37/89/459703789.db2.gz JEHGUIIYPYUJSB-ZDUSSCGKSA-N 1 0 334.420 3.145 20 5 EGBDRO COC(=O)c1ccc(OC[C@H]2CCCC[N@@H+]2C(C)C)c([N+](=O)[O-])c1 ZINC000573666112 459713364 /nfs/dbraw/zinc/71/33/64/459713364.db2.gz WKAGFRZZTAEHKF-CQSZACIVSA-N 1 0 336.388 3.023 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N(CC[NH+](C)C)CC1CCCCC1 ZINC000501248852 459719623 /nfs/dbraw/zinc/71/96/23/459719623.db2.gz PCCSAOOHXWCMDC-UHFFFAOYSA-N 1 0 347.459 3.487 20 5 EGBDRO CC(C)C[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000544145064 459733273 /nfs/dbraw/zinc/73/32/73/459733273.db2.gz DCMIQYSOHZNIAP-JKSUJKDBSA-N 1 0 336.432 3.093 20 5 EGBDRO C[C@H](NC(=O)Nc1cccc2c1CC[NH2+]C2)c1cccc([N+](=O)[O-])c1 ZINC000574503062 459827240 /nfs/dbraw/zinc/82/72/40/459827240.db2.gz UITVBDIXWYHYFY-LBPRGKRZSA-N 1 0 340.383 3.123 20 5 EGBDRO O=C(Nc1ccc([N+](=O)[O-])cc1F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000602249792 459876901 /nfs/dbraw/zinc/87/69/01/459876901.db2.gz MMGFGPNYFZSZTN-AWEZNQCLSA-N 1 0 343.358 3.195 20 5 EGBDRO CC[N@@H+]1CC[C@H](N(C)c2ccc([N+](=O)[O-])c(OC(C)C)n2)C[C@@H]1C ZINC000574926365 459895340 /nfs/dbraw/zinc/89/53/40/459895340.db2.gz AQGGFBZAISBWPL-KBPBESRZSA-N 1 0 336.436 3.086 20 5 EGBDRO CCc1nn(C)c(NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)c1[N+](=O)[O-] ZINC000575086949 459923513 /nfs/dbraw/zinc/92/35/13/459923513.db2.gz DSLGGMKJPJSDEY-ZDUSSCGKSA-N 1 0 345.447 3.432 20 5 EGBDRO COc1cc(OC)c(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1F ZINC000593595931 459930301 /nfs/dbraw/zinc/93/03/01/459930301.db2.gz LIBDPWVWEHXRPD-UHFFFAOYSA-N 1 0 334.347 3.083 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000598544443 459934518 /nfs/dbraw/zinc/93/45/18/459934518.db2.gz XJTIAGGREIUUOX-UHFFFAOYSA-N 1 0 345.443 3.063 20 5 EGBDRO C[NH+](C)CCCOc1ccc(NC(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000609330982 459945089 /nfs/dbraw/zinc/94/50/89/459945089.db2.gz UILKJWUDPLMPGZ-UHFFFAOYSA-N 1 0 349.412 3.239 20 5 EGBDRO C[C@H](C1CCCCC1)[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000575333370 459962808 /nfs/dbraw/zinc/96/28/08/459962808.db2.gz KVCAXLAFUYNNCS-PBHICJAKSA-N 1 0 336.432 3.235 20 5 EGBDRO C[C@@H]1CCC[C@H]([NH2+][C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)[C@@H]1C ZINC000609451128 459964758 /nfs/dbraw/zinc/96/47/58/459964758.db2.gz NBGVKMXDVBIUMK-OMNBBPDLSA-N 1 0 331.416 3.114 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H](c2ccco2)N2CCCC2)cc1 ZINC000602506897 459972219 /nfs/dbraw/zinc/97/22/19/459972219.db2.gz XQULNVDIQIKCGH-KRWDZBQOSA-N 1 0 329.400 3.157 20 5 EGBDRO C[C@@H](Cc1cccs1)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602509759 459974222 /nfs/dbraw/zinc/97/42/22/459974222.db2.gz KIIREMWOYFYSNT-ZDUSSCGKSA-N 1 0 346.456 3.241 20 5 EGBDRO O=[N+]([O-])c1sc(C[NH2+]C[C@@H]2CCCC[C@H]2O)cc1Br ZINC000602550928 459993739 /nfs/dbraw/zinc/99/37/39/459993739.db2.gz FVEJBCKGOWOJKA-GZMMTYOYSA-N 1 0 349.250 3.060 20 5 EGBDRO CO[C@H]1CCC[C@@H]1C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602584218 460010774 /nfs/dbraw/zinc/01/07/74/460010774.db2.gz YIJAXFGMRJTIPM-KCJUWKMLSA-N 1 0 349.250 3.324 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3CCCC(F)(F)C3)CC2)cn1 ZINC000602568752 460000846 /nfs/dbraw/zinc/00/08/46/460000846.db2.gz MHIRSPAWJCJIOT-ZDUSSCGKSA-N 1 0 340.374 3.126 20 5 EGBDRO C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602569717 460002827 /nfs/dbraw/zinc/00/28/27/460002827.db2.gz RIJNBSBCNAJLSS-HZMBPMFUSA-N 1 0 343.349 3.186 20 5 EGBDRO [NH3+][C@]12CCC[C@H]1CN(C(=O)c1cc3ccccc3c3cccnc13)C2 ZINC000621694706 460011667 /nfs/dbraw/zinc/01/16/67/460011667.db2.gz KYIKAVGERMZFES-BTYIYWSLSA-N 1 0 331.419 3.341 20 5 EGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]CCNc1ccccn1 ZINC000602595600 460015926 /nfs/dbraw/zinc/01/59/26/460015926.db2.gz ZYWZGNGACKNGSB-UHFFFAOYSA-N 1 0 340.305 3.210 20 5 EGBDRO C[C@@H]1CC[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C[C@H]1C ZINC000602611541 460022206 /nfs/dbraw/zinc/02/22/06/460022206.db2.gz FRHWVNLCYGEMDH-FMKPAKJESA-N 1 0 332.448 3.373 20 5 EGBDRO O=[N+]([O-])c1sc(C[NH2+]C2(CO)CCCCC2)cc1Br ZINC000602611961 460022262 /nfs/dbraw/zinc/02/22/62/460022262.db2.gz NVFYHEZDEUIUIJ-UHFFFAOYSA-N 1 0 349.250 3.204 20 5 EGBDRO COCCC[NH+]1CCC(Nc2ccc(C(F)F)cc2[N+](=O)[O-])CC1 ZINC000589114132 460032192 /nfs/dbraw/zinc/03/21/92/460032192.db2.gz PVTSAAJMUGEUSH-UHFFFAOYSA-N 1 0 343.374 3.445 20 5 EGBDRO C[N@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C1CCC(F)(F)CC1 ZINC000589207990 460054086 /nfs/dbraw/zinc/05/40/86/460054086.db2.gz MPWBECBARTWULZ-UHFFFAOYSA-N 1 0 342.342 3.376 20 5 EGBDRO C[N@@H+]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)c2ccccc2C1 ZINC000602670053 460056754 /nfs/dbraw/zinc/05/67/54/460056754.db2.gz LWNOCOCFDYGUMY-UHFFFAOYSA-N 1 0 338.367 3.188 20 5 EGBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000610062449 460057512 /nfs/dbraw/zinc/05/75/12/460057512.db2.gz UIBGMICKVZOBJZ-CABCVRRESA-N 1 0 347.459 3.109 20 5 EGBDRO CCOC(=O)C[C@](C)([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)C(C)C ZINC000614230603 460059012 /nfs/dbraw/zinc/05/90/12/460059012.db2.gz GMLVDAKUWUYFOF-KRWDZBQOSA-N 1 0 349.387 3.194 20 5 EGBDRO O=[N+]([O-])c1sc(C[NH2+]CCC[C@H]2CCOC2)cc1Br ZINC000602682893 460063415 /nfs/dbraw/zinc/06/34/15/460063415.db2.gz TUUYBTSHPCICPB-VIFPVBQESA-N 1 0 349.250 3.325 20 5 EGBDRO CC[C@](C)(C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)OC ZINC000602677631 460061254 /nfs/dbraw/zinc/06/12/54/460061254.db2.gz ZSMWBPRSNNQIMI-LLVKDONJSA-N 1 0 337.239 3.324 20 5 EGBDRO CO[C@H](C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)C1CCOCC1 ZINC000602685440 460065203 /nfs/dbraw/zinc/06/52/03/460065203.db2.gz PERCLXPFPUZGLG-PKOBYXMFSA-N 1 0 348.443 3.216 20 5 EGBDRO Cc1cnc(CC[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cn1 ZINC000602686723 460065498 /nfs/dbraw/zinc/06/54/98/460065498.db2.gz GYDYHBQEERVMAG-UHFFFAOYSA-N 1 0 340.305 3.044 20 5 EGBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+]C2CC=CC2)c1 ZINC000589314594 460070787 /nfs/dbraw/zinc/07/07/87/460070787.db2.gz CNBOVBVQRFGNLS-UHFFFAOYSA-N 1 0 344.152 3.008 20 5 EGBDRO CO[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602699197 460072216 /nfs/dbraw/zinc/07/22/16/460072216.db2.gz NCNZKAXHKPQHIZ-GHMZBOCLSA-N 1 0 349.250 3.466 20 5 EGBDRO C[C@@H](CO)C1CC[NH+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602699132 460072639 /nfs/dbraw/zinc/07/26/39/460072639.db2.gz MFWLOVOPYFXAHU-NSHDSACASA-N 1 0 346.349 3.454 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000589373175 460081249 /nfs/dbraw/zinc/08/12/49/460081249.db2.gz FWCNJEXHGJPXQU-GFCCVEGCSA-N 1 0 334.420 3.009 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CC[C@H](OCc2ccccn2)C1 ZINC000602715008 460081651 /nfs/dbraw/zinc/08/16/51/460081651.db2.gz LHDJAECWJGGQLP-FZMUQLTDSA-N 1 0 339.395 3.294 20 5 EGBDRO Cc1cc(NC(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)ccc1[N+](=O)[O-] ZINC000594080568 460092503 /nfs/dbraw/zinc/09/25/03/460092503.db2.gz KRDKVPAWUYZNDD-HOCLYGCPSA-N 1 0 332.404 3.042 20 5 EGBDRO CC(C)[NH2+][C@H]1CCCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000610275121 460102961 /nfs/dbraw/zinc/10/29/61/460102961.db2.gz FIQAXGVFYVNORY-NSHDSACASA-N 1 0 329.347 3.163 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](C)c1cccc(OC(C)C)c1 ZINC000602801243 460133863 /nfs/dbraw/zinc/13/38/63/460133863.db2.gz MIMAQTPQPLVRNZ-ZDUSSCGKSA-N 1 0 332.404 3.238 20 5 EGBDRO Cc1c([C@@H](C)[NH2+]C[C@H]2CCCN2CC(F)F)cccc1[N+](=O)[O-] ZINC000599064568 460147678 /nfs/dbraw/zinc/14/76/78/460147678.db2.gz CBIMCEHAIDJKQE-CHWSQXEVSA-N 1 0 327.375 3.283 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1[C@H](C)C[C@@H](c2ccccc2)[C@H]1C ZINC000602834859 460152546 /nfs/dbraw/zinc/15/25/46/460152546.db2.gz FTWSUWIDLNCIKJ-CKEIUWERSA-N 1 0 328.416 3.366 20 5 EGBDRO COc1ccccc1[C@@H]1CCCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000610485076 460163072 /nfs/dbraw/zinc/16/30/72/460163072.db2.gz LKJLYHNVUQSJEV-HNNXBMFYSA-N 1 0 330.388 3.027 20 5 EGBDRO COC(=O)c1ccc([N+](=O)[O-])c(CN2C[C@@H](C)C(F)(F)[C@@H](C)C2)c1 ZINC000599515829 460265943 /nfs/dbraw/zinc/26/59/43/460265943.db2.gz VKVYUSJWNNVAEV-PHIMTYICSA-N 1 0 342.342 3.105 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC(F)(F)C[C@@H]1C ZINC000599621852 460289939 /nfs/dbraw/zinc/28/99/39/460289939.db2.gz IDYDOXIGGXFYJF-LBPRGKRZSA-N 1 0 341.358 3.351 20 5 EGBDRO COCC[N@H+](C)CCCC1CCN(c2ccsc2[N+](=O)[O-])CC1 ZINC000611227980 460311789 /nfs/dbraw/zinc/31/17/89/460311789.db2.gz PQSWMSGFUBKSMS-UHFFFAOYSA-N 1 0 341.477 3.231 20 5 EGBDRO COc1ccc([C@@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)C2CC2)cn1 ZINC000599702663 460316633 /nfs/dbraw/zinc/31/66/33/460316633.db2.gz XOEBBICAHKIMCC-SFHVURJKSA-N 1 0 343.383 3.118 20 5 EGBDRO Cc1ccncc1[C@@H](C)[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000611299724 460332424 /nfs/dbraw/zinc/33/24/24/460332424.db2.gz DUWWHZMGUPYXCS-UONOGXRCSA-N 1 0 342.399 3.366 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCN(C2CCCCC2)C1=O ZINC000611337125 460339585 /nfs/dbraw/zinc/33/95/85/460339585.db2.gz TVNMZYIJXNEXRX-RDTXWAMCSA-N 1 0 345.443 3.487 20 5 EGBDRO CC[NH+](CC)[C@H](CNc1cccnc1[N+](=O)[O-])Cc1ccccc1 ZINC000603848750 460347618 /nfs/dbraw/zinc/34/76/18/460347618.db2.gz KTJOGFJQXUFLNU-INIZCTEOSA-N 1 0 328.416 3.355 20 5 EGBDRO CC(C)C([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C(C)C ZINC000611434028 460364411 /nfs/dbraw/zinc/36/44/11/460364411.db2.gz GNUUEHSWZQWFTC-UHFFFAOYSA-N 1 0 327.812 3.457 20 5 EGBDRO O=C(NCC12CCC[NH+]1CCC2)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000619574168 460386711 /nfs/dbraw/zinc/38/67/11/460386711.db2.gz WTUJGUWOMDUASY-UHFFFAOYSA-N 1 0 345.424 3.168 20 5 EGBDRO Cc1noc(C2(C)CC[NH+](C/C=C\c3ccccc3[N+](=O)[O-])CC2)n1 ZINC000611607651 460414393 /nfs/dbraw/zinc/41/43/93/460414393.db2.gz QJYWVQKTZSUPHD-ALCCZGGFSA-N 1 0 342.399 3.353 20 5 EGBDRO O=C(CC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1)NC1CCCC1 ZINC000604416041 460423855 /nfs/dbraw/zinc/42/38/55/460423855.db2.gz WUZZRSARPIMTMQ-UHFFFAOYSA-N 1 0 345.443 3.256 20 5 EGBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000600316255 460472685 /nfs/dbraw/zinc/47/26/85/460472685.db2.gz YMNTXZFWYZYGTF-IAGOWNOFSA-N 1 0 347.459 3.012 20 5 EGBDRO CN(c1ccnc2ccc([N+](=O)[O-])cc21)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000601165686 460738557 /nfs/dbraw/zinc/73/85/57/460738557.db2.gz SNJQAGJOKKEZOO-NNQSOWQGSA-N 1 0 326.400 3.204 20 5 EGBDRO O=[N+]([O-])c1ccc(OCCC[NH2+][C@@H](CCO)C2CCCCC2)cc1 ZINC000612824275 460742245 /nfs/dbraw/zinc/74/22/45/460742245.db2.gz OEZWSTJZXMYTMJ-SFHVURJKSA-N 1 0 336.432 3.285 20 5 EGBDRO C[C@@H]([NH2+][C@@H]1COCC[C@H]1O)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000601303380 460782993 /nfs/dbraw/zinc/78/29/93/460782993.db2.gz CAGDWSILIIYREE-UXIGCNINSA-N 1 0 348.424 3.124 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C1CCN(c2cccnn2)CC1 ZINC000617585239 460919630 /nfs/dbraw/zinc/91/96/30/460919630.db2.gz UXUIXMJFIYNVNL-AWEZNQCLSA-N 1 0 341.415 3.013 20 5 EGBDRO Cc1ncc([C@@H](C)[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])s1 ZINC000601969665 460965960 /nfs/dbraw/zinc/96/59/60/460965960.db2.gz RSUUPTWXOIBUMR-SNVBAGLBSA-N 1 0 334.401 3.039 20 5 EGBDRO CC(=O)Nc1ccc([C@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000182062330 527028072 /nfs/dbraw/zinc/02/80/72/527028072.db2.gz SZVJHHHLGNURFP-ZDUSSCGKSA-N 1 0 327.384 3.447 20 5 EGBDRO CC1(C)CCC[C@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000191300200 528993604 /nfs/dbraw/zinc/99/36/04/528993604.db2.gz LQPRBQCVMHQCAP-CYBMUJFWSA-N 1 0 325.796 3.355 20 5 EGBDRO C[NH+](C)[C@H]1CCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000130141232 536137639 /nfs/dbraw/zinc/13/76/39/536137639.db2.gz GTNQSLGHZKWBQR-INIZCTEOSA-N 1 0 329.400 3.381 20 5 EGBDRO C[C@H](CNc1ccc(Br)cc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000219436854 547241799 /nfs/dbraw/zinc/24/17/99/547241799.db2.gz KHLBAWLDLCBUIF-SECBINFHSA-N 1 0 328.210 3.252 20 5 EGBDRO CC[C@H]1C[N@H+](Cc2c([N+](=O)[O-])ncn2C)CC[C@H]1c1ccccc1 ZINC000365852206 547779329 /nfs/dbraw/zinc/77/93/29/547779329.db2.gz JUARIZFDUKEQPR-GOEBONIOSA-N 1 0 328.416 3.344 20 5 EGBDRO CC1(C)Cc2cc(C[NH2+]CCOc3ccc([N+](=O)[O-])cc3)ccc2O1 ZINC000731678823 575199592 /nfs/dbraw/zinc/19/95/92/575199592.db2.gz MZFVWXXSGOFORI-UHFFFAOYSA-N 1 0 342.395 3.477 20 5 EGBDRO CCOC(=O)CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)CC1CC1 ZINC000735490846 575669125 /nfs/dbraw/zinc/66/91/25/575669125.db2.gz SIAUPIBRUFUFNU-UHFFFAOYSA-N 1 0 340.807 3.413 20 5 EGBDRO CC[N@@H+]1CC[C@H](N(C)C(=S)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000740631644 576609222 /nfs/dbraw/zinc/60/92/22/576609222.db2.gz FDFCDRMQBLXFIB-DOMZBBRYSA-N 1 0 336.461 3.096 20 5 EGBDRO C[C@H]1CCC[N@@H+]1CCNc1ccc(Br)cc1[N+](=O)[O-] ZINC000742427211 576783240 /nfs/dbraw/zinc/78/32/40/576783240.db2.gz FVOAMWPFLNOOIF-JTQLQIEISA-N 1 0 328.210 3.254 20 5 EGBDRO CCC[C@@H]1[C@@H](C)CCC[N@@H+]1Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000743379658 576807710 /nfs/dbraw/zinc/80/77/10/576807710.db2.gz AIKJHSIXDUTHQO-GXTWGEPZSA-N 1 0 333.388 3.361 20 5 EGBDRO CC[N@H+](CCOc1cccc([N+](=O)[O-])c1)C[C@@H](O)c1ccc(C)cc1 ZINC000743868457 576817910 /nfs/dbraw/zinc/81/79/10/576817910.db2.gz XSQYKAASLKYZQK-LJQANCHMSA-N 1 0 344.411 3.338 20 5 EGBDRO [NH3+][C@H]1C[C@@H](Nc2ccc(Br)cc2[N+](=O)[O-])C12CCC2 ZINC000404586630 1297758177 /nfs/dbraw/zinc/75/81/77/1297758177.db2.gz URYUWVOPAQWZEA-NWDGAFQWSA-N 1 0 326.194 3.039 20 5 EGBDRO C[C@H]1CN(c2nc3ccc([N+](=O)[O-])cc3s2)CC[N@@H+](C2CC2)C1 ZINC000828260019 1292448057 /nfs/dbraw/zinc/44/80/57/1292448057.db2.gz WHDZLNUPTZVRTC-LLVKDONJSA-N 1 0 332.429 3.125 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCC[C@H]2COc2ccccc2)cc1 ZINC000830872448 1292778705 /nfs/dbraw/zinc/77/87/05/1292778705.db2.gz IEICNOKDRMDNGE-HKUYNNGSSA-N 1 0 342.395 3.172 20 5 EGBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000832265336 1292978402 /nfs/dbraw/zinc/97/84/02/1292978402.db2.gz PQJLPENXCHCKFU-LLVKDONJSA-N 1 0 327.812 3.098 20 5 EGBDRO C[C@]1(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1(Cl)Cl ZINC000834885275 1293163394 /nfs/dbraw/zinc/16/33/94/1293163394.db2.gz UPFZRGWKCIJYNH-NQBHXWOUSA-N 1 0 347.246 3.449 20 5 EGBDRO CC(C)(CCC(=O)OCC1CC[NH+](Cc2ccccc2)CC1)[N+](=O)[O-] ZINC000835100351 1293208357 /nfs/dbraw/zinc/20/83/57/1293208357.db2.gz ANEMILMZGBHCTQ-UHFFFAOYSA-N 1 0 348.443 3.277 20 5 EGBDRO Cc1cnc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)s1 ZINC000123043247 1293432702 /nfs/dbraw/zinc/43/27/02/1293432702.db2.gz SJYQUGVVSJOPKN-UHFFFAOYSA-N 1 0 332.429 3.118 20 5 EGBDRO C[NH+](C)CCCC(C)(C)NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000836203659 1293459484 /nfs/dbraw/zinc/45/94/84/1293459484.db2.gz SDOZCPYFORLIHT-UHFFFAOYSA-N 1 0 342.827 3.490 20 5 EGBDRO COc1ccc([C@H](O)C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000125428800 1293506831 /nfs/dbraw/zinc/50/68/31/1293506831.db2.gz DUGODEUYPUEJRO-FZKQIMNGSA-N 1 0 330.384 3.296 20 5 EGBDRO CC(C)[NH+](CCNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(C)C ZINC000126666206 1293541014 /nfs/dbraw/zinc/54/10/14/1293541014.db2.gz BCALVKMDYKEBCR-UHFFFAOYSA-N 1 0 327.812 3.097 20 5 EGBDRO CC[C@H](C)C[N@H+](CC)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000128832071 1293605106 /nfs/dbraw/zinc/60/51/06/1293605106.db2.gz CAXZTDNEYAZONR-LBPRGKRZSA-N 1 0 325.384 3.431 20 5 EGBDRO CCCC[C@H](COC)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000134117322 1293763009 /nfs/dbraw/zinc/76/30/09/1293763009.db2.gz GLEORUOJRQYPAZ-MRXNPFEDSA-N 1 0 335.448 3.358 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+](CCc2cccc(F)c2)C2CC2)c1 ZINC000154286927 1294049170 /nfs/dbraw/zinc/04/91/70/1294049170.db2.gz RJNMUCBRSFFOSZ-IBGZPJMESA-N 1 0 344.386 3.474 20 5 EGBDRO Cn1ccnc1C[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000179432449 1294794635 /nfs/dbraw/zinc/79/46/35/1294794635.db2.gz OBFKVIMXEZVEAB-ZDUSSCGKSA-N 1 0 348.834 3.436 20 5 EGBDRO CC[NH+](CC)CCOC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000215569955 1296117668 /nfs/dbraw/zinc/11/76/68/1296117668.db2.gz VGRMOGVWXTWOPR-UHFFFAOYSA-N 1 0 349.412 3.217 20 5 EGBDRO Cc1c(C(=O)NCCC2CC[NH+](C(C)C)CC2)cccc1[N+](=O)[O-] ZINC000870960888 1296156248 /nfs/dbraw/zinc/15/62/48/1296156248.db2.gz QSYRNSBHUWDFNT-UHFFFAOYSA-N 1 0 333.432 3.144 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@](C)(O)C(F)(F)F ZINC000872051570 1296701852 /nfs/dbraw/zinc/70/18/52/1296701852.db2.gz LLAJAYXBVGFWOV-PELKAZGASA-N 1 0 338.351 3.281 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1C[C@H]2CCCCN2C1=O ZINC000872079179 1296721261 /nfs/dbraw/zinc/72/12/61/1296721261.db2.gz VXGRURXPCNJCPK-ZOWXZIJZSA-N 1 0 349.456 3.121 20 5 EGBDRO CC[NH+]1CCC(n2nccc2NCc2cccc([N+](=O)[O-])c2C)CC1 ZINC000873039852 1297240834 /nfs/dbraw/zinc/24/08/34/1297240834.db2.gz VLYXIUYLWOAZFY-UHFFFAOYSA-N 1 0 343.431 3.369 20 5 EGBDRO CC(C)[C@]1(CO)CC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000339204816 1297295519 /nfs/dbraw/zinc/29/55/19/1297295519.db2.gz QAUURHACRGKBQV-OAHLLOKOSA-N 1 0 346.349 3.454 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2ccc(CN3CC[C@@]4(CCC[NH2+]4)C3)o2)c1 ZINC000415135885 1297778881 /nfs/dbraw/zinc/77/88/81/1297778881.db2.gz KNFBHXWDHFDKCK-SFHVURJKSA-N 1 0 327.384 3.183 20 5 EGBDRO Cc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000701876573 1298190024 /nfs/dbraw/zinc/19/00/24/1298190024.db2.gz BYPQHXWJUZMGGB-ZDUSSCGKSA-N 1 0 337.420 3.248 20 5 EGBDRO CC(C)(C)OC(=O)N1CC[C@](C)([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000701919531 1298191509 /nfs/dbraw/zinc/19/15/09/1298191509.db2.gz KAYSYWIEIAHBTC-KRWDZBQOSA-N 1 0 335.404 3.084 20 5 EGBDRO Cc1c(C[NH2+]C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000711451231 1298260677 /nfs/dbraw/zinc/26/06/77/1298260677.db2.gz VZIOQWYQBWEQFA-OTVXOJSOSA-N 1 0 349.431 3.296 20 5 EGBDRO C[C@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)CC1(C)OCCO1 ZINC000716015171 1298292005 /nfs/dbraw/zinc/29/20/05/1298292005.db2.gz OFNGOLFSIMOWEV-NSHDSACASA-N 1 0 328.796 3.127 20 5 EGBDRO CCN(CCC(F)(F)F)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000748290761 1298976049 /nfs/dbraw/zinc/97/60/49/1298976049.db2.gz CMRPJELTJVYCKP-UHFFFAOYSA-N 1 0 343.309 3.085 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1CN1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000876783239 1298981660 /nfs/dbraw/zinc/98/16/60/1298981660.db2.gz XKZRBCRXNQQVCC-KRWDZBQOSA-N 1 0 331.460 3.375 20 5 EGBDRO CC(C)Oc1ccc([C@@H](O)C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000877039427 1299126393 /nfs/dbraw/zinc/12/63/93/1299126393.db2.gz FOFWFYSJDZQSIF-IBGZPJMESA-N 1 0 344.411 3.248 20 5 EGBDRO C[C@@H](CNC(=O)c1cccc(Cl)c1[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC000749912935 1299298653 /nfs/dbraw/zinc/29/86/53/1299298653.db2.gz XIOJEKSWARWILJ-NEPJUHHUSA-N 1 0 339.823 3.241 20 5 EGBDRO O=[N+]([O-])c1ccc(NC2CCC([NH+]3CCCCC3)CC2)c2nonc21 ZINC000751111306 1299510792 /nfs/dbraw/zinc/51/07/92/1299510792.db2.gz PNCHWWRQXIQTPZ-UHFFFAOYSA-N 1 0 345.403 3.340 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(c2ccc(F)cc2)CC1 ZINC000878176263 1299797817 /nfs/dbraw/zinc/79/78/17/1299797817.db2.gz FITNXKKDVSXRSM-UHFFFAOYSA-N 1 0 332.379 3.118 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@@H]3CCCCS3)CC2)cc1 ZINC000753571069 1299976923 /nfs/dbraw/zinc/97/69/23/1299976923.db2.gz MFTLXZITZWAZMV-KRWDZBQOSA-N 1 0 335.473 3.439 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)s1 ZINC000754655356 1300183893 /nfs/dbraw/zinc/18/38/93/1300183893.db2.gz HSHUNRXMFNJCDG-TZMCWYRMSA-N 1 0 336.413 3.055 20 5 EGBDRO C[N@@H+]1CCCC[C@H]1CCOC(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000754987767 1300261916 /nfs/dbraw/zinc/26/19/16/1300261916.db2.gz ZAMZWHFOESGRFE-JTQLQIEISA-N 1 0 344.770 3.419 20 5 EGBDRO COc1ccc([C@H]2CN(Cc3cccc([N+](=O)[O-])c3C)CC[NH2+]2)cc1 ZINC000879522199 1300579991 /nfs/dbraw/zinc/57/99/91/1300579991.db2.gz VERQCLCLNGOPJO-GOSISDBHSA-N 1 0 341.411 3.058 20 5 EGBDRO Cc1nn(C[N@H+]2CCC[C@H](CC(C)C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000759135299 1301022330 /nfs/dbraw/zinc/02/23/30/1301022330.db2.gz MSWPZNANKQMWPQ-CQSZACIVSA-N 1 0 331.420 3.364 20 5 EGBDRO CC(C)[NH2+][C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2OC(F)F)C1 ZINC000760512395 1301286695 /nfs/dbraw/zinc/28/66/95/1301286695.db2.gz OPNUIGPNSKPZME-LLVKDONJSA-N 1 0 329.347 3.163 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]([NH+]3CCCCC3)C2)c(OC(F)F)c1 ZINC000760527112 1301288600 /nfs/dbraw/zinc/28/86/00/1301288600.db2.gz AZOMIJWXYGTWRZ-CYBMUJFWSA-N 1 0 341.358 3.261 20 5 EGBDRO C[C@@H](CNCc1ccc([N+](=O)[O-])c(Cl)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000761522347 1301490619 /nfs/dbraw/zinc/49/06/19/1301490619.db2.gz OOWJNYWHZGOTIX-OLZOCXBDSA-N 1 0 325.840 3.458 20 5 EGBDRO C[N@@H+]1CCCC[C@@H]1CCOC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000762897063 1301780175 /nfs/dbraw/zinc/78/01/75/1301780175.db2.gz HYXQJFUSIBOZPR-GFCCVEGCSA-N 1 0 331.372 3.107 20 5 EGBDRO O=c1oc2ccc(C[NH2+]CCCCc3ccc([N+](=O)[O-])cc3)cc2o1 ZINC000883018062 1302207121 /nfs/dbraw/zinc/20/71/21/1302207121.db2.gz MPDYXTBJVMMHBY-UHFFFAOYSA-N 1 0 342.351 3.407 20 5 EGBDRO COc1ccc(C)cc1[C@H](C)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000765848175 1302339048 /nfs/dbraw/zinc/33/90/48/1302339048.db2.gz GZABNFGQCYPZIB-GUYCJALGSA-N 1 0 330.384 3.296 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@H]2CCOc3c(Cl)cccc32)cc1 ZINC000765850357 1302341073 /nfs/dbraw/zinc/34/10/73/1302341073.db2.gz XNKADTPGEFCPEB-HOTGVXAUSA-N 1 0 348.786 3.395 20 5 EGBDRO C[C@@H](Cc1ccncc1)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000766490317 1302461778 /nfs/dbraw/zinc/46/17/78/1302461778.db2.gz SMPAMODDCXGQFL-HNNXBMFYSA-N 1 0 340.427 3.179 20 5 EGBDRO CC1CC[NH+](CCNC(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000770008260 1303206751 /nfs/dbraw/zinc/20/67/51/1303206751.db2.gz ULYSQZGIMRGSFI-UHFFFAOYSA-N 1 0 340.811 3.102 20 5 EGBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000886021327 1303320902 /nfs/dbraw/zinc/32/09/02/1303320902.db2.gz UGLRZWYUSCFGRJ-INIZCTEOSA-N 1 0 327.384 3.029 20 5 EGBDRO C[C@@H]([NH2+]Cc1cccnc1[N+](=O)[O-])c1cccc(N2CCCC2)c1 ZINC000886112267 1303359883 /nfs/dbraw/zinc/35/98/83/1303359883.db2.gz TUCLCCCONKCPMZ-CQSZACIVSA-N 1 0 326.400 3.441 20 5 EGBDRO CC(C)(C)OC(=O)CC[C@H]1CCC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886249669 1303411757 /nfs/dbraw/zinc/41/17/57/1303411757.db2.gz QJKJBAXTQWOTGN-CQSZACIVSA-N 1 0 349.431 3.324 20 5 EGBDRO CC(C)OCCC[N@H+](C)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000774639332 1303838905 /nfs/dbraw/zinc/83/89/05/1303838905.db2.gz VGFGCDIXUUOLET-UHFFFAOYSA-N 1 0 340.811 3.302 20 5 EGBDRO CC(C)O[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1(C)C ZINC000775068232 1303899457 /nfs/dbraw/zinc/89/94/57/1303899457.db2.gz JCLSBWZMBSIPAT-LSDHHAIUSA-N 1 0 337.376 3.185 20 5 EGBDRO CC[N@@H+]1CC[C@H](CNC(=O)Nc2cc([N+](=O)[O-])c(Cl)cc2C)C1 ZINC000888288134 1304102688 /nfs/dbraw/zinc/10/26/88/1304102688.db2.gz CEJPUACFHBRLPR-LLVKDONJSA-N 1 0 340.811 3.020 20 5 EGBDRO CC(C)CCOC1CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776278827 1304127365 /nfs/dbraw/zinc/12/73/65/1304127365.db2.gz WAULPNXTCUAKSC-SFHVURJKSA-N 1 0 336.432 3.155 20 5 EGBDRO COc1ccc2c(c1)CCC[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000776581525 1304175553 /nfs/dbraw/zinc/17/55/53/1304175553.db2.gz JGKUOHNHQQGOHA-IBGZPJMESA-N 1 0 342.395 3.085 20 5 EGBDRO C[NH+](C)Cc1ccc(NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000778228954 1304423812 /nfs/dbraw/zinc/42/38/12/1304423812.db2.gz UHLFLOHMFADAEC-UHFFFAOYSA-N 1 0 349.337 3.387 20 5 EGBDRO CC(C)[C@@H]1CCC[N@H+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C1 ZINC000780496983 1304700249 /nfs/dbraw/zinc/70/02/49/1304700249.db2.gz KOFKFVPHUYTFON-OAHLLOKOSA-N 1 0 329.404 3.179 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2CCCOc3cc(F)ccc32)cc1 ZINC000781893985 1304887733 /nfs/dbraw/zinc/88/77/33/1304887733.db2.gz BAZHCEBKKYJOSW-IAGOWNOFSA-N 1 0 346.358 3.271 20 5 EGBDRO Cc1nn(C[N@H+]2C[C@H](C)[C@H]3CCCC[C@H]32)c2ncc([N+](=O)[O-])cc12 ZINC000782278094 1304946676 /nfs/dbraw/zinc/94/66/76/1304946676.db2.gz SYTIQZRNZMTTGV-SGIREYDYSA-N 1 0 329.404 3.116 20 5 EGBDRO C[NH+](C)CCc1ccccc1NC(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000782941372 1305026982 /nfs/dbraw/zinc/02/69/82/1305026982.db2.gz ZHMATACOSKSGTP-UHFFFAOYSA-N 1 0 349.337 3.229 20 5 EGBDRO COc1cccc([C@@H](O)C[NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)c1 ZINC000786815384 1305634894 /nfs/dbraw/zinc/63/48/94/1305634894.db2.gz SFQYPVLZSKMIFW-JNMQVBFRSA-N 1 0 342.395 3.330 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@@H]1CCO[C@]2(CCSC2)C1 ZINC000893133848 1305726407 /nfs/dbraw/zinc/72/64/07/1305726407.db2.gz GINMRDVXNSIUHR-UKRRQHHQSA-N 1 0 342.848 3.393 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(C2(C)OCCO2)CC1 ZINC000787405678 1305742357 /nfs/dbraw/zinc/74/23/57/1305742357.db2.gz FXLDHZREMRRHOS-QINSGFPZSA-N 1 0 346.427 3.473 20 5 EGBDRO Cc1nn(C[N@@H+]2CCSC(C)(C)CC2)c2ccc([N+](=O)[O-])cc12 ZINC000788376912 1305931820 /nfs/dbraw/zinc/93/18/20/1305931820.db2.gz PEZRCPMPDADZMU-UHFFFAOYSA-N 1 0 334.445 3.428 20 5 EGBDRO C[C@@H](COc1cccc(F)c1)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788562603 1305972435 /nfs/dbraw/zinc/97/24/35/1305972435.db2.gz LOMKYZFVOPDUPS-RYUDHWBXSA-N 1 0 333.363 3.434 20 5 EGBDRO COc1c(O)ccc(CN2C[C@H](C)C[C@@H]2c2cccnc2)c1[N+](=O)[O-] ZINC000893573069 1305974547 /nfs/dbraw/zinc/97/45/47/1305974547.db2.gz WAOUJNSRBKJCBJ-IUODEOHRSA-N 1 0 343.383 3.287 20 5 EGBDRO C[C@H]([NH2+]C[C@H](C)N(C)Cc1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788593873 1305976836 /nfs/dbraw/zinc/97/68/36/1305976836.db2.gz SMRPSYIHXXSKKP-GJZGRUSLSA-N 1 0 342.443 3.348 20 5 EGBDRO O=C(OCc1cc([N+](=O)[O-])ccc1Cl)c1ccc2c[nH+]cn2c1 ZINC000790531359 1306346323 /nfs/dbraw/zinc/34/63/23/1306346323.db2.gz YQBFJHCZCHSPHK-UHFFFAOYSA-N 1 0 331.715 3.253 20 5 EGBDRO COc1c(O)ccc(C[NH2+]C2CCC(CSC)CC2)c1[N+](=O)[O-] ZINC000894688954 1309022593 /nfs/dbraw/zinc/02/25/93/1309022593.db2.gz HIVQGZODFCLFJS-UHFFFAOYSA-N 1 0 340.445 3.320 20 5 EGBDRO Cc1nnc([C@@H]2CC[N@@H+](Cc3ccc(C(C)C)c([N+](=O)[O-])c3)C2)[nH]1 ZINC000895007340 1309154063 /nfs/dbraw/zinc/15/40/63/1309154063.db2.gz CAFJEXWHHLNIQH-CQSZACIVSA-N 1 0 329.404 3.134 20 5 EGBDRO CCC[C@]1(COC)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792883136 1309250487 /nfs/dbraw/zinc/25/04/87/1309250487.db2.gz WOCVEFLKDJWQCE-MRXNPFEDSA-N 1 0 337.376 3.284 20 5 EGBDRO COc1ccc(C[NH2+]C(C)(C)[C@H](O)c2ccccc2)cc1[N+](=O)[O-] ZINC000895658118 1309450262 /nfs/dbraw/zinc/45/02/62/1309450262.db2.gz HFBQYLAUBIMKNK-QGZVFWFLSA-N 1 0 330.384 3.205 20 5 EGBDRO Cc1nn(C[N@@H+]2C[C@H](c3ccccc3)[C@H]3CCC[C@@H]32)cc1[N+](=O)[O-] ZINC000795682996 1309806956 /nfs/dbraw/zinc/80/69/56/1309806956.db2.gz ZLRGCUVRUOLZIE-ZACQAIPSSA-N 1 0 326.400 3.325 20 5 EGBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2c(C)c(C)ccc2[N+](=O)[O-])C1 ZINC000896745614 1309996174 /nfs/dbraw/zinc/99/61/74/1309996174.db2.gz LOHYVABAOHZBSC-OAHLLOKOSA-N 1 0 333.432 3.016 20 5 EGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](CCO)Cc1ccccc1 ZINC000799731031 1310607605 /nfs/dbraw/zinc/60/76/05/1310607605.db2.gz KVJOWSLYXMZFFQ-QFBILLFUSA-N 1 0 342.439 3.499 20 5 EGBDRO O=C(CSc1ccccc1[N+](=O)[O-])OCCC[NH+]1CCCCC1 ZINC000800082750 1310668951 /nfs/dbraw/zinc/66/89/51/1310668951.db2.gz MAJHMESERQZYBG-UHFFFAOYSA-N 1 0 338.429 3.106 20 5 EGBDRO O=C(OCCC[NH+]1CCCCC1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000800170791 1310689928 /nfs/dbraw/zinc/68/99/28/1310689928.db2.gz YGDHRTWADWPJHG-UHFFFAOYSA-N 1 0 326.780 3.281 20 5 EGBDRO O=C(OCCC[NH+]1CCCCC1)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000800199933 1310700961 /nfs/dbraw/zinc/70/09/61/1310700961.db2.gz WQYIAILIUHDUHQ-UHFFFAOYSA-N 1 0 344.770 3.420 20 5 EGBDRO CCCC[N@H+](CCCO)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000801534774 1310959072 /nfs/dbraw/zinc/95/90/72/1310959072.db2.gz ZFOGHQFMCMMMGH-UHFFFAOYSA-N 1 0 345.237 3.342 20 5 EGBDRO COc1cc(C[NH2+][C@@H]2CCc3ccccc3OC2)c([N+](=O)[O-])cc1F ZINC000801575539 1310969400 /nfs/dbraw/zinc/96/94/00/1310969400.db2.gz JXLGBVXORYTVPD-CQSZACIVSA-N 1 0 346.358 3.226 20 5 EGBDRO CC[C@@H](C)[C@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)OC ZINC000824596165 1320268502 /nfs/dbraw/zinc/26/85/02/1320268502.db2.gz GGXLPPHUUUTGRR-KDOFPFPSSA-N 1 0 335.448 3.214 20 5 EGBDRO C[C@@]1(C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1(Cl)Cl ZINC000824766530 1320283976 /nfs/dbraw/zinc/28/39/76/1320283976.db2.gz VKACAWVZMNKTSB-ZDUSSCGKSA-N 1 0 347.198 3.040 20 5 EGBDRO O=C(OCc1ccc(Cl)cc1[N+](=O)[O-])C1CC[NH+](C2CC2)CC1 ZINC000801874293 1316960167 /nfs/dbraw/zinc/96/01/67/1316960167.db2.gz AGNRUHAIDANSTR-UHFFFAOYSA-N 1 0 338.791 3.166 20 5 EGBDRO C[C@@H](CNc1ccc(N)cc1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000804345242 1317221402 /nfs/dbraw/zinc/22/14/02/1317221402.db2.gz NBTRJWQWAGLGLM-ZDUSSCGKSA-N 1 0 326.400 3.036 20 5 EGBDRO C[NH+](C)CCCC1CCN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC1 ZINC000804587465 1317264386 /nfs/dbraw/zinc/26/43/86/1317264386.db2.gz PPGOIFBONMSYOW-UHFFFAOYSA-N 1 0 336.392 3.061 20 5 EGBDRO CC(C)[NH+](Cc1cn([C@@H](C)c2ccccc2[N+](=O)[O-])nn1)C(C)C ZINC000900535953 1317302192 /nfs/dbraw/zinc/30/21/92/1317302192.db2.gz ZUKCACFEDRVHIX-AWEZNQCLSA-N 1 0 331.420 3.414 20 5 EGBDRO C[C@@H]1C[C@H](c2cccnc2)[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000805750507 1317416801 /nfs/dbraw/zinc/41/68/01/1317416801.db2.gz NLGVRAXAFPYQBT-FSPWUOQZSA-N 1 0 327.384 3.106 20 5 EGBDRO CCN(C)C(=O)OC[C@@H]1CCCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000805760196 1317418308 /nfs/dbraw/zinc/41/83/08/1317418308.db2.gz AKJWPHRGEILSFQ-KRWDZBQOSA-N 1 0 349.431 3.080 20 5 EGBDRO O=C(CC1=CCCCC1)N[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001020026939 1317507312 /nfs/dbraw/zinc/50/73/12/1317507312.db2.gz GHCPVUIZDUDRFZ-SHTZXODSSA-N 1 0 349.456 3.284 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1COc2ccccc2[C@@H]1O ZINC000808729548 1317724245 /nfs/dbraw/zinc/72/42/45/1317724245.db2.gz LUXAVEWEPOQSRX-XZOAIXRZSA-N 1 0 328.368 3.048 20 5 EGBDRO C[C@@H](O)c1ncc(C[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)s1 ZINC000809624394 1317847573 /nfs/dbraw/zinc/84/75/73/1317847573.db2.gz MERQPVJDULAQMP-GFCCVEGCSA-N 1 0 335.429 3.217 20 5 EGBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccnc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000905854420 1318008254 /nfs/dbraw/zinc/00/82/54/1318008254.db2.gz WIYHYQCTSJIQJP-MNOVXSKESA-N 1 0 348.790 3.321 20 5 EGBDRO CCCN(CCC[NH+](C)C)C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000907657709 1318244800 /nfs/dbraw/zinc/24/48/00/1318244800.db2.gz NVKNNFVUCZPUMY-UHFFFAOYSA-N 1 0 345.802 3.191 20 5 EGBDRO Cc1ccsc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001021779253 1318677010 /nfs/dbraw/zinc/67/70/10/1318677010.db2.gz AZZHEDQDZVOVCD-OKILXGFUSA-N 1 0 345.424 3.015 20 5 EGBDRO C[C@H](C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)Oc1cccc(F)c1 ZINC000815583928 1319021285 /nfs/dbraw/zinc/02/12/85/1319021285.db2.gz RHVGTGQRWGIGQH-VXGBXAGGSA-N 1 0 333.363 3.434 20 5 EGBDRO COc1cccc2c1OCC[C@H]2[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815593264 1319024502 /nfs/dbraw/zinc/02/45/02/1319024502.db2.gz HDDLPCQALBLXGC-XHDPSFHLSA-N 1 0 343.383 3.360 20 5 EGBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000816898818 1319242089 /nfs/dbraw/zinc/24/20/89/1319242089.db2.gz HXZNEBLKAHKEJC-NEPJUHHUSA-N 1 0 339.823 3.098 20 5 EGBDRO Cc1cc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc(C)n1 ZINC000817409421 1319351017 /nfs/dbraw/zinc/35/10/17/1319351017.db2.gz BOCPAVGEQQHXPN-UHFFFAOYSA-N 1 0 340.427 3.365 20 5 EGBDRO CON1CCC([NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000817418225 1319354846 /nfs/dbraw/zinc/35/48/46/1319354846.db2.gz GVFKMXGPDWTGIH-UHFFFAOYSA-N 1 0 334.203 3.017 20 5 EGBDRO C[C@@H]1CC[N@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=O)[C@@H]2CCCC[C@H]12 ZINC000915209356 1319442816 /nfs/dbraw/zinc/44/28/16/1319442816.db2.gz LRFIWHBUDLDVTI-BPLDGKMQSA-N 1 0 345.399 3.361 20 5 EGBDRO COC(OC)c1ccc(F)c(C[NH2+]CCc2cccc([N+](=O)[O-])c2)c1 ZINC000818196917 1319516580 /nfs/dbraw/zinc/51/65/80/1319516580.db2.gz FWHBJBIPOGEVAL-UHFFFAOYSA-N 1 0 348.374 3.358 20 5 EGBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@@H]1CCCCCC[C@@H]1[NH3+])CC2 ZINC000818608455 1319567762 /nfs/dbraw/zinc/56/77/62/1319567762.db2.gz DPODFYKNETVKAL-CABCVRRESA-N 1 0 331.416 3.090 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCCn2ccc3ccccc32)c1 ZINC000818943434 1319583391 /nfs/dbraw/zinc/58/33/91/1319583391.db2.gz ZPKBZEWHWMZOKG-LJQANCHMSA-N 1 0 339.395 3.263 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](O)c1cccc(Cl)c1 ZINC000818968839 1319595259 /nfs/dbraw/zinc/59/52/59/1319595259.db2.gz YXCAYCQMBMEAGT-OAHLLOKOSA-N 1 0 336.775 3.080 20 5 EGBDRO CC(C)[C@@H](CNC[C@@H](O)c1ccc([N+](=O)[O-])cc1)[NH+]1CCCCCC1 ZINC000819017272 1319614339 /nfs/dbraw/zinc/61/43/39/1319614339.db2.gz FWXXQNRESHUPTJ-RTBURBONSA-N 1 0 349.475 3.118 20 5 EGBDRO CC(C)(C)c1csc(CC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000819017224 1319614575 /nfs/dbraw/zinc/61/45/75/1319614575.db2.gz DXRIEMPDJWDQTC-AWEZNQCLSA-N 1 0 349.456 3.215 20 5 EGBDRO CC(C)(C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000819015836 1319614738 /nfs/dbraw/zinc/61/47/38/1319614738.db2.gz QLAVUKOVNJGLKS-KRWDZBQOSA-N 1 0 332.375 3.335 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@H]2CCc3ccccc3C2)cc1 ZINC000819080420 1319630244 /nfs/dbraw/zinc/63/02/44/1319630244.db2.gz FVYOKQYWWYEVFH-LIRRHRJNSA-N 1 0 326.396 3.023 20 5 EGBDRO CC(C)(C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000819081351 1319631289 /nfs/dbraw/zinc/63/12/89/1319631289.db2.gz KRVWHHSDHSDASH-SFHVURJKSA-N 1 0 328.412 3.487 20 5 EGBDRO Cc1ccc(NCCC[NH2+]C[C@@H](O)c2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000819093352 1319632868 /nfs/dbraw/zinc/63/28/68/1319632868.db2.gz NSOQUKWGVKTJNO-GOSISDBHSA-N 1 0 347.390 3.168 20 5 EGBDRO COc1ccc([C@@H](C)CC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000819101766 1319634926 /nfs/dbraw/zinc/63/49/26/1319634926.db2.gz DKLCZBCHCYLXNS-LIRRHRJNSA-N 1 0 344.411 3.420 20 5 EGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@@H](O)Cc2ccc(F)cc2)c1 ZINC000819149709 1319649269 /nfs/dbraw/zinc/64/92/69/1319649269.db2.gz LCLXJFPRWMOSKU-HNNXBMFYSA-N 1 0 338.766 3.081 20 5 EGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@H](O)Cc2ccc(F)cc2)c1 ZINC000819149710 1319649788 /nfs/dbraw/zinc/64/97/88/1319649788.db2.gz LCLXJFPRWMOSKU-OAHLLOKOSA-N 1 0 338.766 3.081 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H]2COc3c2cccc3Cl)c1 ZINC000819156209 1319651550 /nfs/dbraw/zinc/65/15/50/1319651550.db2.gz ZATSFMZHSJGEQL-CABCVRRESA-N 1 0 334.759 3.005 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCC2Cc3ccccc3C2)c1 ZINC000819190120 1319662063 /nfs/dbraw/zinc/66/20/63/1319662063.db2.gz FFMLGZUUDMHNPH-LJQANCHMSA-N 1 0 326.396 3.023 20 5 EGBDRO C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c2ccccc2O1 ZINC000819342153 1319704336 /nfs/dbraw/zinc/70/43/36/1319704336.db2.gz OIUKGJXOPVXOHV-CSMYWGQOSA-N 1 0 328.368 3.130 20 5 EGBDRO CCCNc1ccc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000819387427 1319715326 /nfs/dbraw/zinc/71/53/26/1319715326.db2.gz LGIWXBGRQGNQEL-GOSISDBHSA-N 1 0 329.400 3.240 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)ccc1NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000917064604 1319747178 /nfs/dbraw/zinc/74/71/78/1319747178.db2.gz YNRZNNAWSHWIPB-CQSZACIVSA-N 1 0 339.823 3.304 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000820303342 1319865384 /nfs/dbraw/zinc/86/53/84/1319865384.db2.gz PQJJVDDEVUUOAM-MRXNPFEDSA-N 1 0 345.443 3.160 20 5 EGBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000820386638 1319881633 /nfs/dbraw/zinc/88/16/33/1319881633.db2.gz SXVNDJHGJPSBFX-OAHLLOKOSA-N 1 0 333.432 3.016 20 5 EGBDRO C[C@@H](CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[N@@H+]1CCCC[C@H]1C ZINC000918610813 1319979875 /nfs/dbraw/zinc/97/98/75/1319979875.db2.gz MNHPDSRCEKIPKE-NEPJUHHUSA-N 1 0 339.823 3.241 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000821319005 1320006201 /nfs/dbraw/zinc/00/62/01/1320006201.db2.gz ROMZKVRKWKNBIS-MRXNPFEDSA-N 1 0 345.443 3.016 20 5 EGBDRO C[N@H+](CCCCNC(=O)Nc1cccc([N+](=O)[O-])c1Cl)C1CC1 ZINC000836599053 1320509941 /nfs/dbraw/zinc/50/99/41/1320509941.db2.gz IDOTWSGZSURLGA-UHFFFAOYSA-N 1 0 340.811 3.244 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C(=O)N(C)CC2([NH+](C)C)CCC2)cc1Cl ZINC000836784793 1320534003 /nfs/dbraw/zinc/53/40/03/1320534003.db2.gz UWUDHHUZMXKCHM-UHFFFAOYSA-N 1 0 339.823 3.113 20 5 EGBDRO C[C@@H](CCCc1cccnc1)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000839144629 1320879416 /nfs/dbraw/zinc/87/94/16/1320879416.db2.gz IQCKLILUETZWIU-KSSFIOAISA-N 1 0 329.400 3.024 20 5 EGBDRO CO[C@H]1CC[N@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)CC1(C)C ZINC000840124948 1321034818 /nfs/dbraw/zinc/03/48/18/1321034818.db2.gz NPHHYMYDLNLVRT-KRWDZBQOSA-N 1 0 344.415 3.163 20 5 EGBDRO CCC1(c2ccccc2)C[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000840769601 1321145007 /nfs/dbraw/zinc/14/50/07/1321145007.db2.gz BIBWRFBSNDVXTG-SFHVURJKSA-N 1 0 326.396 3.292 20 5 EGBDRO C[NH2+]CCC1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000841103045 1321218839 /nfs/dbraw/zinc/21/88/39/1321218839.db2.gz KTVGHDKBZAWFOF-UHFFFAOYSA-N 1 0 340.811 3.102 20 5 EGBDRO Cc1nn(C[N@@H+]2CCC[C@@H]2[C@H]2CCCOC2)c2ccc([N+](=O)[O-])cc12 ZINC000842617006 1321406895 /nfs/dbraw/zinc/40/68/95/1321406895.db2.gz PJCUEJAFIIFTJX-WMLDXEAASA-N 1 0 344.415 3.101 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2cnn(C[N@@H+]3CC[C@@H](c4cccnc4)C3)c2)c1 ZINC000842628703 1321409230 /nfs/dbraw/zinc/40/92/30/1321409230.db2.gz QOWQOLHQVQRFMH-QGZVFWFLSA-N 1 0 349.394 3.300 20 5 EGBDRO Cc1cccc2nc(CC[NH2+][C@@H](C)c3ccc(N)c([N+](=O)[O-])c3)cn21 ZINC000842933716 1321450712 /nfs/dbraw/zinc/45/07/12/1321450712.db2.gz QZYINAIQLMEVSW-ZDUSSCGKSA-N 1 0 339.399 3.026 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1-c1noc(C[C@@H](C)[C@H]2CCC[NH2+]C2)n1 ZINC000843187668 1321484365 /nfs/dbraw/zinc/48/43/65/1321484365.db2.gz SGOARTPOAGCWHT-YPMHNXCESA-N 1 0 330.388 3.131 20 5 EGBDRO CN(CC[NH+]1CCCCC1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000844484676 1321611518 /nfs/dbraw/zinc/61/15/18/1321611518.db2.gz GDUQOSONEWTVFJ-UHFFFAOYSA-N 1 0 340.811 3.198 20 5 EGBDRO Cc1cc(Cl)c(C(=O)N2[C@H](C)C[N@H+](C)[C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000844642573 1321629583 /nfs/dbraw/zinc/62/95/83/1321629583.db2.gz JTZVMYHNZDQMKZ-IJLUTSLNSA-N 1 0 339.823 3.110 20 5 EGBDRO C[N@@H+]1CCC[C@@H]2CN(c3cc(Cl)c(F)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000845502072 1321713975 /nfs/dbraw/zinc/71/39/75/1321713975.db2.gz YNKAPAHZZLTUHQ-MFKMUULPSA-N 1 0 327.787 3.308 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000930864739 1328990965 /nfs/dbraw/zinc/99/09/65/1328990965.db2.gz WKQFZMANOIAVAG-CYBMUJFWSA-N 1 0 334.420 3.206 20 5 EGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@H](O)c1c(F)cccc1F ZINC000848532508 1321971202 /nfs/dbraw/zinc/97/12/02/1321971202.db2.gz AWWBFCOKFDRCID-ZBFHGGJFSA-N 1 0 334.322 3.184 20 5 EGBDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000849348260 1322115968 /nfs/dbraw/zinc/11/59/68/1322115968.db2.gz JWTHTVBSLTYXNA-LYASGUKUSA-N 1 0 347.415 3.207 20 5 EGBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000920746693 1322215747 /nfs/dbraw/zinc/21/57/47/1322215747.db2.gz ZGCHRJDQMZYRRI-WNANUZHBSA-N 1 0 345.443 3.091 20 5 EGBDRO CCSC1(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000850552626 1322265287 /nfs/dbraw/zinc/26/52/87/1322265287.db2.gz OKZALFCBRYZAFB-UHFFFAOYSA-N 1 0 335.473 3.439 20 5 EGBDRO C[C@@H]([NH2+]C[C@@H]1CCN1Cc1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850578909 1322272058 /nfs/dbraw/zinc/27/20/58/1322272058.db2.gz QZTSKNOGVWRJER-PBHICJAKSA-N 1 0 340.427 3.102 20 5 EGBDRO CN(Cc1cc([N+](=O)[O-])ccc1Br)CC1=CCCOC1 ZINC000930996618 1329024258 /nfs/dbraw/zinc/02/42/58/1329024258.db2.gz DENBGWIYEZCURL-UHFFFAOYSA-N 1 0 341.205 3.136 20 5 EGBDRO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@@](O)(c2ccccc2)C1 ZINC000859589089 1329028592 /nfs/dbraw/zinc/02/85/92/1329028592.db2.gz MWOHNXMCWKDTME-SFHVURJKSA-N 1 0 330.359 3.218 20 5 EGBDRO Cc1c(C[NH2+]C[C@@H]2CCCN2CC(F)(F)F)cccc1[N+](=O)[O-] ZINC000922707587 1322598740 /nfs/dbraw/zinc/59/87/40/1322598740.db2.gz RHPVKRGBSQRDKS-ZDUSSCGKSA-N 1 0 331.338 3.020 20 5 EGBDRO CC(C)[C@H]([NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](O)C(F)(F)F ZINC000852036119 1323135136 /nfs/dbraw/zinc/13/51/36/1323135136.db2.gz UDQOJEARKWUUKU-RYUDHWBXSA-N 1 0 340.729 3.286 20 5 EGBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1C[C@@H]2CCCC[C@@H]21 ZINC000852220279 1323165700 /nfs/dbraw/zinc/16/57/00/1323165700.db2.gz LLBUEJBAMSNBQR-ZETOZRRWSA-N 1 0 337.807 3.450 20 5 EGBDRO O=[N+]([O-])c1cn(C[N@@H+]2CCC[C@@H]2C2CCC2)nc1-c1ccccn1 ZINC000853495537 1325103226 /nfs/dbraw/zinc/10/32/26/1325103226.db2.gz SPQNDLYCOVTHFW-OAHLLOKOSA-N 1 0 327.388 3.075 20 5 EGBDRO O=[N+]([O-])c1cn(C[N@@H+]2CCC[C@@H]2C2CCCC2)nc1-c1ccccn1 ZINC000853491220 1325103742 /nfs/dbraw/zinc/10/37/42/1325103742.db2.gz LVIJOMKFNZDZLT-MRXNPFEDSA-N 1 0 341.415 3.465 20 5 EGBDRO CC(=O)c1ccc([N+](=O)[O-])cc1NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000853996770 1325199812 /nfs/dbraw/zinc/19/98/12/1325199812.db2.gz NLFRUAVRUGLFGJ-OAHLLOKOSA-N 1 0 331.416 3.331 20 5 EGBDRO C[NH+](C)[C@H](CNc1cccc(Br)c1[N+](=O)[O-])C1CC1 ZINC000856729537 1325514811 /nfs/dbraw/zinc/51/48/11/1325514811.db2.gz YTMPGJYJUGQURT-GFCCVEGCSA-N 1 0 328.210 3.109 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CC1CC3(C1)OCCO3)CCCC2 ZINC000927001454 1327814163 /nfs/dbraw/zinc/81/41/63/1327814163.db2.gz VERITBSONPIRAQ-QGZVFWFLSA-N 1 0 332.400 3.105 20 5 EGBDRO C[NH+](C)[C@@]1(CNc2ccc([N+](=O)[O-])cc2C(F)F)CCSC1 ZINC000865583292 1329716532 /nfs/dbraw/zinc/71/65/32/1329716532.db2.gz UHQFBGKGPZLPBO-CQSZACIVSA-N 1 0 331.388 3.382 20 5 EGBDRO C[N@@H+]1CCC[C@@H]2CN(c3ccc([N+](=O)[O-])cc3C(F)F)CC[C@H]21 ZINC000865616106 1329720482 /nfs/dbraw/zinc/72/04/82/1329720482.db2.gz GUHGIQLMFZZHKW-BXUZGUMPSA-N 1 0 325.359 3.453 20 5 EGBDRO CC(C)N(CC(F)(F)F)C(=O)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000932180770 1329791771 /nfs/dbraw/zinc/79/17/71/1329791771.db2.gz WBXJUQORZKLKJQ-LLVKDONJSA-N 1 0 347.337 3.045 20 5 EGBDRO C[NH+](C)CCN(C(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000932693557 1329833877 /nfs/dbraw/zinc/83/38/77/1329833877.db2.gz SVPWCNIXMOBUTO-ROUUACIJSA-N 1 0 345.443 3.031 20 5 EGBDRO CC(C)C[C@@H]1CN(C)CC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000933246331 1329874261 /nfs/dbraw/zinc/87/42/61/1329874261.db2.gz LYWOUIQEGZNBOM-QGZVFWFLSA-N 1 0 335.448 3.026 20 5 EGBDRO Cc1cc(N2CCC(C(C)(C)O)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000866233586 1330082055 /nfs/dbraw/zinc/08/20/55/1330082055.db2.gz WOCSBXYMIMDBMI-UHFFFAOYSA-N 1 0 329.400 3.439 20 5 EGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H](O)c1ccccc1F ZINC000866239276 1330083466 /nfs/dbraw/zinc/08/34/66/1330083466.db2.gz TYRFBTHHUIYYJC-GTNSWQLSSA-N 1 0 336.338 3.127 20 5 EGBDRO Cc1ccn2cc(C[NH2+][C@H](C)Cc3ccc(F)cc3[N+](=O)[O-])nc2c1 ZINC000866260706 1330086900 /nfs/dbraw/zinc/08/69/00/1330086900.db2.gz WHBPAZGFNDEBRY-CYBMUJFWSA-N 1 0 342.374 3.411 20 5 EGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@](C)(O)c1ccccc1 ZINC000866266517 1330087695 /nfs/dbraw/zinc/08/76/95/1330087695.db2.gz ISCAAYLVFWVGST-SCLBCKFNSA-N 1 0 332.375 3.162 20 5 EGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000866289455 1330091268 /nfs/dbraw/zinc/09/12/68/1330091268.db2.gz GTLQNARLWFFMSP-NSHDSACASA-N 1 0 333.319 3.363 20 5 EGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](C)CC1(C)OCCO1 ZINC000866424812 1330110207 /nfs/dbraw/zinc/11/02/07/1330110207.db2.gz HIIXXLOKLPDPFJ-LSDHHAIUSA-N 1 0 336.432 3.295 20 5 EGBDRO C/C=C(/C)C(=O)N1CCC(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001029954248 1341133756 /nfs/dbraw/zinc/13/37/56/1341133756.db2.gz WZEPDQOECDFCAF-TVPGTPATSA-N 1 0 345.443 3.231 20 5 EGBDRO CCCC(=O)N1CCC2(C1)CC[NH+](Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC001040577249 1345548659 /nfs/dbraw/zinc/54/86/59/1345548659.db2.gz RSHLQTDOLJHEQM-UHFFFAOYSA-N 1 0 345.443 3.209 20 5 EGBDRO O=C(CCCC1CC1)N1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001202075866 1369681582 /nfs/dbraw/zinc/68/15/82/1369681582.db2.gz MTTSPLWSYOTDEL-UHFFFAOYSA-N 1 0 345.443 3.256 20 5 EGBDRO CC(C)C(=O)NCC1([NH2+]Cc2csc([N+](=O)[O-])c2)CCCCC1 ZINC001115412295 1370441154 /nfs/dbraw/zinc/44/11/54/1370441154.db2.gz ZBVLVCRYCNUQNI-UHFFFAOYSA-N 1 0 339.461 3.221 20 5 EGBDRO C[NH+]1CCN(c2cccc(F)c2Nc2cccc([N+](=O)[O-])c2)CC1 ZINC001204475944 1370486652 /nfs/dbraw/zinc/48/66/52/1370486652.db2.gz INVXLIDAPGCCJP-UHFFFAOYSA-N 1 0 330.363 3.229 20 5 EGBDRO Cc1cncc([N+](=O)[O-])c1N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001117295726 1371034399 /nfs/dbraw/zinc/03/43/99/1371034399.db2.gz FRWHYEXNDSWMHF-WBVHZDCISA-N 1 0 340.427 3.043 20 5 EGBDRO CC[C@@H]([NH2+]Cc1c(Br)cccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC001119730976 1371395430 /nfs/dbraw/zinc/39/54/30/1371395430.db2.gz AWMUQTNGODSWPV-TZMCWYRMSA-N 1 0 343.221 3.405 20 5 EGBDRO C/C=C(\C)C(=O)NC1CC2(C1)CC([NH2+]Cc1ccccc1[N+](=O)[O-])C2 ZINC001120915193 1371805360 /nfs/dbraw/zinc/80/53/60/1371805360.db2.gz RFNWNHPZCYLNRD-QLKAYGNNSA-N 1 0 343.427 3.078 20 5 EGBDRO CC(C)(C[NH3+])C1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC001122345539 1372233502 /nfs/dbraw/zinc/23/35/02/1372233502.db2.gz VFXIXEOBTSXJCA-UHFFFAOYSA-N 1 0 339.823 3.085 20 5 EGBDRO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2-c1cncc(N)c1 ZINC001210441106 1372354142 /nfs/dbraw/zinc/35/41/42/1372354142.db2.gz FBDJOPRXVPSXLP-UHFFFAOYSA-N 1 0 345.406 3.221 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1Nc1ccc(F)cc1OCC[NH+](C)C ZINC001210448575 1372356690 /nfs/dbraw/zinc/35/66/90/1372356690.db2.gz ZPDWXNXJKSPTCK-UHFFFAOYSA-N 1 0 349.362 3.427 20 5 EGBDRO CC[NH+](CC)CC[C@H](C)NC(=O)c1c(F)c(C)cc([N+](=O)[O-])c1F ZINC001124046723 1372664962 /nfs/dbraw/zinc/66/49/62/1372664962.db2.gz HGFLIJOKBMJRMZ-NSHDSACASA-N 1 0 343.374 3.032 20 5 EGBDRO Cc1ccc(Nc2ccc(N3CC[NH+](C)CC3)cc2)c([N+](=O)[O-])c1 ZINC001214171348 1373019411 /nfs/dbraw/zinc/01/94/11/1373019411.db2.gz DGOMBKKYYZNDDQ-UHFFFAOYSA-N 1 0 326.400 3.399 20 5 EGBDRO CC(C)(C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC001129625276 1373404436 /nfs/dbraw/zinc/40/44/36/1373404436.db2.gz ZKHORQVODCQESW-UHFFFAOYSA-N 1 0 333.432 3.017 20 5 EGBDRO C[NH2+][C@H]1C[C@@H](Oc2c(Br)c(C)c(Cl)cc2[N+](=O)[O-])C1 ZINC001217957753 1373519215 /nfs/dbraw/zinc/51/92/15/1373519215.db2.gz SUIUEFSHZWZQPE-OCAPTIKFSA-N 1 0 349.612 3.448 20 5 EGBDRO CC(C)(C)c1cc([N+](=O)[O-])c(O[C@H]2CCCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001217976643 1373523383 /nfs/dbraw/zinc/52/33/83/1373523383.db2.gz XSTLHMAPGLOQKT-LBPRGKRZSA-N 1 0 337.376 3.321 20 5 EGBDRO C[C@@H]1C[NH2+]CCC[C@H]1Oc1cccc([N+](=O)[O-])c1Br ZINC001217989156 1373528030 /nfs/dbraw/zinc/52/80/30/1373528030.db2.gz RXQXKNNJABFNTP-MWLCHTKSSA-N 1 0 329.194 3.124 20 5 EGBDRO C[C@H]1CC[NH2+]CC[C@H]1Oc1cccc(Br)c1[N+](=O)[O-] ZINC001218030451 1373542545 /nfs/dbraw/zinc/54/25/45/1373542545.db2.gz RDOGPSYZZWTRNL-GXSJLCMTSA-N 1 0 329.194 3.124 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(OC[C@H]3CCC4(C[NH2+]C4)O3)cc2)cc1 ZINC001218069465 1373553981 /nfs/dbraw/zinc/55/39/81/1373553981.db2.gz IQQQFLGXYFQDEV-GOSISDBHSA-N 1 0 340.379 3.162 20 5 EGBDRO O=[N+]([O-])c1cc(OC(F)(F)F)ccc1O[C@H]1CCC[C@]12CC[NH2+]C2 ZINC001218096890 1373559875 /nfs/dbraw/zinc/55/98/75/1373559875.db2.gz VFKKDHLQLVQQFT-UONOGXRCSA-N 1 0 346.305 3.404 20 5 EGBDRO O=[N+]([O-])c1cc(-c2ccccc2)ccc1O[C@@H]1CC[C@@H]2[NH2+]CCO[C@@H]12 ZINC001218130369 1373566346 /nfs/dbraw/zinc/56/63/46/1373566346.db2.gz YUCYNSBWNBZPBP-KFKAGJAMSA-N 1 0 340.379 3.160 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2ccc(O[C@H]3C[NH2+][C@@H]4CCCO[C@@H]43)cc2)c1 ZINC001218167333 1373571900 /nfs/dbraw/zinc/57/19/00/1373571900.db2.gz YJSRDDCCVRKMBE-QYZOEREBSA-N 1 0 340.379 3.160 20 5 EGBDRO CC(C)(C)c1cc([N+](=O)[O-])c(O[C@@H]2C[C@H]3CC[NH2+][C@H]3C2)c([N+](=O)[O-])c1 ZINC001218251503 1373584216 /nfs/dbraw/zinc/58/42/16/1373584216.db2.gz UFEKTVDXABIQHB-RTXFEEFZSA-N 1 0 349.387 3.320 20 5 EGBDRO O=[N+]([O-])c1ccc(Br)c(O[C@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC001218304985 1373591597 /nfs/dbraw/zinc/59/15/97/1373591597.db2.gz BFDSSIUQPYCFEA-NSHDSACASA-N 1 0 341.205 3.411 20 5 EGBDRO O=[N+]([O-])c1cccc(O[C@H]2CC[NH2+]C3(CCC3)C2)c1Br ZINC001218305223 1373591781 /nfs/dbraw/zinc/59/17/81/1373591781.db2.gz AIHXLAWBDHEHEC-JTQLQIEISA-N 1 0 341.205 3.411 20 5 EGBDRO C[C@@H]1CC[C@H](Oc2c(Br)cc(F)cc2[N+](=O)[O-])C[NH2+]1 ZINC001218396693 1373606539 /nfs/dbraw/zinc/60/65/39/1373606539.db2.gz ALZBJORDYALMFV-APPZFPTMSA-N 1 0 333.157 3.016 20 5 EGBDRO CC(C)(C)OC(=O)c1ccc(O[C@@H]2C[NH2+]CCC23CC3)c([N+](=O)[O-])c1 ZINC001218407037 1373608852 /nfs/dbraw/zinc/60/88/52/1373608852.db2.gz ZVXHYTRQSRFMRN-OAHLLOKOSA-N 1 0 348.399 3.071 20 5 EGBDRO [NH3+][C@@H](Cc1c2ccccc2cc2ccccc21)C(=O)Nc1ccnnc1 ZINC001218568233 1373633981 /nfs/dbraw/zinc/63/39/81/1373633981.db2.gz FCZVQEYUFWAMDF-FQEVSTJZSA-N 1 0 342.402 3.292 20 5 EGBDRO [NH3+]Cc1ccccc1C(=O)Nc1cc2cccnc2c2ncccc12 ZINC001218979836 1373674310 /nfs/dbraw/zinc/67/43/10/1373674310.db2.gz IKGYGIITXUMDJY-UHFFFAOYSA-N 1 0 328.375 3.494 20 5 EGBDRO O=[N+]([O-])c1cccnc1O[C@H]1CCCN(Cc2ccccc2F)C1 ZINC001225595711 1375129449 /nfs/dbraw/zinc/12/94/49/1375129449.db2.gz KRWPJEKOXOGNLE-AWEZNQCLSA-N 1 0 331.347 3.172 20 5 EGBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](CCc3ccccc3)CC2)nc1 ZINC001225635125 1375136206 /nfs/dbraw/zinc/13/62/06/1375136206.db2.gz ZEBBZFLSUGQSRW-UHFFFAOYSA-N 1 0 327.384 3.076 20 5 EGBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Oc1ccc([N+](=O)[O-])cn1 ZINC001225634526 1375136457 /nfs/dbraw/zinc/13/64/57/1375136457.db2.gz ZVKOCVWICCVLTI-PBHICJAKSA-N 1 0 327.384 3.279 20 5 EGBDRO CC(C)CCC(=O)NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001225993052 1375185278 /nfs/dbraw/zinc/18/52/78/1375185278.db2.gz HUDBEOSFEZELEM-UHFFFAOYSA-N 1 0 333.432 3.112 20 5 EGBDRO Cc1ccnc(O[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC001226115305 1375205790 /nfs/dbraw/zinc/20/57/90/1375205790.db2.gz AUAKBSYOJCUUQY-MRXNPFEDSA-N 1 0 327.384 3.342 20 5 EGBDRO CC(C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ncc([N+](=O)[O-])cc1Cl)C2 ZINC001226256787 1375228183 /nfs/dbraw/zinc/22/81/83/1375228183.db2.gz YCUFXVSOVZBGRT-PJXYFTJBSA-N 1 0 325.796 3.426 20 5 EGBDRO CC(=O)c1cc([N+](=O)[O-])ccc1OC1CCN(c2cc[nH+]cc2)CC1 ZINC001226530978 1375276144 /nfs/dbraw/zinc/27/61/44/1375276144.db2.gz JKKRKOGVUIXEMH-UHFFFAOYSA-N 1 0 341.367 3.240 20 5 EGBDRO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1Oc1ccc([N+](=O)[O-])nc1 ZINC001226710476 1375313664 /nfs/dbraw/zinc/31/36/64/1375313664.db2.gz LQXVGIWAYTXQCP-WMLDXEAASA-N 1 0 327.384 3.279 20 5 EGBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Oc1ncc(F)cc1[N+](=O)[O-] ZINC001226752077 1375324703 /nfs/dbraw/zinc/32/47/03/1375324703.db2.gz XITBECRISSHZJD-GUYCJALGSA-N 1 0 345.374 3.418 20 5 EGBDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1Oc1ncncc1[N+](=O)[O-] ZINC001228654930 1375629506 /nfs/dbraw/zinc/62/95/06/1375629506.db2.gz NYVOVUZLHHUHQZ-INIZCTEOSA-N 1 0 342.399 3.064 20 5 EGBDRO CC(C)=C(C)CC(=O)NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001228668864 1375635454 /nfs/dbraw/zinc/63/54/54/1375635454.db2.gz BZPRSADMHKHLTQ-UHFFFAOYSA-N 1 0 345.443 3.422 20 5 EGBDRO O=[N+]([O-])c1ccncc1OC1CC[NH+](CCc2ccccc2)CC1 ZINC001228881467 1375705145 /nfs/dbraw/zinc/70/51/45/1375705145.db2.gz FBXMJRDKNCRMDT-UHFFFAOYSA-N 1 0 327.384 3.076 20 5 EGBDRO O=c1c2ccc(O)cc2oc2cc(O[C@@H]3CCc4nccn4C3)ccc12 ZINC001229513725 1375849872 /nfs/dbraw/zinc/84/98/72/1375849872.db2.gz CBNJNRKPPMNONU-CQSZACIVSA-N 1 0 348.358 3.242 20 5 EGBDRO CC[NH+](CC)C[C@H](C)Oc1ncc(Br)c(C)c1[N+](=O)[O-] ZINC001230035776 1375934174 /nfs/dbraw/zinc/93/41/74/1375934174.db2.gz WAIQWUYZHLAOGE-VIFPVBQESA-N 1 0 346.225 3.170 20 5 EGBDRO CCCC(=O)Nc1c(O[C@@H]2CCC[N@H+](CC)C2)cccc1[N+](=O)[O-] ZINC001231362262 1376230826 /nfs/dbraw/zinc/23/08/26/1376230826.db2.gz LPFRYWGOJIGGHN-CYBMUJFWSA-N 1 0 335.404 3.197 20 5 EGBDRO CCC(CC)(CC)C(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001135826743 1377222787 /nfs/dbraw/zinc/22/27/87/1377222787.db2.gz ZPBRSHBQWMXNOE-UHFFFAOYSA-N 1 0 327.450 3.079 20 5 EGBDRO O=[N+]([O-])c1c(Cl)cc(Cl)nc1NC[C@@]1(F)CCCC[NH2+]C1 ZINC001155117110 1380411671 /nfs/dbraw/zinc/41/16/71/1380411671.db2.gz NWGYIKBUWNSURF-GFCCVEGCSA-N 1 0 337.182 3.190 20 5 EGBDRO Cc1ccc2c(c1)[C@H](Nc1cccc([N+](=O)[O-])n1)CC21CC[NH2+]CC1 ZINC001155430638 1380452044 /nfs/dbraw/zinc/45/20/44/1380452044.db2.gz JQRCMJOGMCXBDT-MRXNPFEDSA-N 1 0 338.411 3.476 20 5 EGBDRO c1cnc2c(c1)ccc1ccc(N[C@@H]3CCO[C@]4(CC[NH2+]C4)C3)nc12 ZINC001155617469 1380474449 /nfs/dbraw/zinc/47/44/49/1380474449.db2.gz IUTOCBUUZDYFHY-OXQOHEQNSA-N 1 0 334.423 3.106 20 5 EGBDRO CC1(C)CC([NH3+])CC(C)(C)N1c1ncnc2cccc([N+](=O)[O-])c21 ZINC001156775016 1380632803 /nfs/dbraw/zinc/63/28/03/1380632803.db2.gz OABIOQCHJCJWPI-UHFFFAOYSA-N 1 0 329.404 3.023 20 5 EGBDRO C[N@@H+]1CCC[C@@H]2CN(c3cc4ccc(Cl)nc4cc3[N+](=O)[O-])C[C@@H]21 ZINC001157282102 1380832877 /nfs/dbraw/zinc/83/28/77/1380832877.db2.gz LYENWNXWBBFDMJ-WBMJQRKESA-N 1 0 346.818 3.327 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(N(Cc2ccccc2)[C@@H]2CCC[NH2+]C2)n1 ZINC001157433869 1380889301 /nfs/dbraw/zinc/88/93/01/1380889301.db2.gz JAICGRIFMHZZNG-QGZVFWFLSA-N 1 0 340.427 3.365 20 5 EGBDRO CC(C)(CC(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001157533507 1380958865 /nfs/dbraw/zinc/95/88/65/1380958865.db2.gz YLWDMWNQBAVNHG-UHFFFAOYSA-N 1 0 333.432 3.017 20 5 EGBDRO C[C@@]1(C[NH3+])CCCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C1 ZINC001158684728 1381352677 /nfs/dbraw/zinc/35/26/77/1381352677.db2.gz RWMIJBIHBBKLQJ-SFHVURJKSA-N 1 0 326.400 3.222 20 5 EGBDRO Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1cc([N+](=O)[O-])cc(Cl)[n+]1[O-] ZINC001158735357 1381375480 /nfs/dbraw/zinc/37/54/80/1381375480.db2.gz CSSWJPDWJCQMRU-CYBMUJFWSA-N 1 0 348.790 3.122 20 5 EGBDRO O=[N+]([O-])c1c(Cl)ccnc1N1CCC2(CC1)[NH2+]Cc1ccccc12 ZINC001159026675 1381518635 /nfs/dbraw/zinc/51/86/35/1381518635.db2.gz VRKCKJZMTSBXON-UHFFFAOYSA-N 1 0 344.802 3.242 20 5 EGBDRO O=[N+]([O-])c1c[nH]c2ccc(N3CCC4(CC3)[NH2+]Cc3ccccc34)nc21 ZINC001159032069 1381525203 /nfs/dbraw/zinc/52/52/03/1381525203.db2.gz SEVQYEBVTTXTDP-UHFFFAOYSA-N 1 0 349.394 3.070 20 5 EGBDRO CC(C)CC1(C(=O)NCCC[NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC001159592922 1381839419 /nfs/dbraw/zinc/83/94/19/1381839419.db2.gz UYQAKUNEILOWKQ-UHFFFAOYSA-N 1 0 339.461 3.079 20 5 EGBDRO COc1ncc(Nc2cccc(C3CC[NH2+]CC3)c2)cc1[N+](=O)[O-] ZINC001159756649 1381891139 /nfs/dbraw/zinc/89/11/39/1381891139.db2.gz BRDKLKUKMTWQAQ-UHFFFAOYSA-N 1 0 328.372 3.209 20 5 EGBDRO O=[N+]([O-])c1ccc(NC[C@H]2CCCC[NH2+]2)nc1-c1ccc(F)cc1 ZINC001160154766 1382017940 /nfs/dbraw/zinc/01/79/40/1382017940.db2.gz NIDRMZPLPSXSFI-CQSZACIVSA-N 1 0 330.363 3.350 20 5 EGBDRO O=[N+]([O-])c1ccc(F)c(Nc2ccc(O[C@@H]3CC[NH2+]C3)c(F)c2)c1 ZINC001160162973 1382021899 /nfs/dbraw/zinc/02/18/99/1382021899.db2.gz VYMHZJAOTPAMTH-GFCCVEGCSA-N 1 0 335.310 3.357 20 5 EGBDRO COc1ccc(Nc2ccccc2O[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001160233430 1382042398 /nfs/dbraw/zinc/04/23/98/1382042398.db2.gz KAQOAJNAHOFFSL-AWEZNQCLSA-N 1 0 343.383 3.478 20 5 EGBDRO [NH3+]Cc1ccc(Nc2nc(Cl)ncc2[N+](=O)[O-])c(C(F)(F)F)c1 ZINC001160418429 1382099424 /nfs/dbraw/zinc/09/94/24/1382099424.db2.gz ZHQPDVNKFGUVCB-UHFFFAOYSA-N 1 0 347.684 3.259 20 5 EGBDRO COc1cc(C)c([N+](=O)[O-])cc1N[C@@H]1CC[NH2+][C@H]1c1ccccc1 ZINC001163216045 1382994800 /nfs/dbraw/zinc/99/48/00/1382994800.db2.gz WPZNVQOCUZRWDB-KDOFPFPSSA-N 1 0 327.384 3.427 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(-n2cnc(-c3ccc(C[NH3+])cc3)c2)nc1Cl ZINC001163216242 1382994927 /nfs/dbraw/zinc/99/49/27/1382994927.db2.gz VSYAKLIQZAKGGA-UHFFFAOYSA-N 1 0 343.774 3.263 20 5 EGBDRO CC(C)(C)c1ccc(NC[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)c([N+](=O)[O-])c1 ZINC001163283570 1383012414 /nfs/dbraw/zinc/01/24/14/1383012414.db2.gz HLSHXSSUYYORRJ-AUUYWEPGSA-N 1 0 347.459 3.463 20 5 EGBDRO C[NH+](C)CC1CCC(Nc2cnc3ccc([N+](=O)[O-])cc3n2)CC1 ZINC001163296332 1383014755 /nfs/dbraw/zinc/01/47/55/1383014755.db2.gz GFTUUOVWKLPGHL-UHFFFAOYSA-N 1 0 329.404 3.070 20 5 EGBDRO COc1cc(NC2CC[NH+](C[C@H]3CC=CCC3)CC2)ncc1[N+](=O)[O-] ZINC001163315158 1383019722 /nfs/dbraw/zinc/01/97/22/1383019722.db2.gz KSXPIQVGHBDFDM-AWEZNQCLSA-N 1 0 346.431 3.231 20 5 EGBDRO Cc1cc(N[C@H]2C[NH+]3CCC2CC3)c([N+](=O)[O-])cc1Br ZINC001163395639 1383041176 /nfs/dbraw/zinc/04/11/76/1383041176.db2.gz UPOYXSGXEJUPMX-ZDUSSCGKSA-N 1 0 340.221 3.172 20 5 EGBDRO C[C@@H]1CC[C@@H](C[NH3+])N(c2cc(Cl)nc3ccc([N+](=O)[O-])cc32)C1 ZINC001164072903 1383153067 /nfs/dbraw/zinc/15/30/67/1383153067.db2.gz FEAYJNKCOKHEGZ-PWSUYJOCSA-N 1 0 334.807 3.360 20 5 EGBDRO CC1(C)CC(CC(=O)NCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001164483132 1383191566 /nfs/dbraw/zinc/19/15/66/1383191566.db2.gz BPPDVDLMHBDTET-UHFFFAOYSA-N 1 0 333.432 3.017 20 5 EGBDRO O=[N+]([O-])c1ccc2ccc(N3CCC4(CCCC[NH2+]4)CC3)nc2c1 ZINC001165247333 1383257651 /nfs/dbraw/zinc/25/76/51/1383257651.db2.gz UQYVYAJJFYNPLK-UHFFFAOYSA-N 1 0 326.400 3.256 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CC2(CC[NH2+]CC2)c2ccccc21 ZINC001167072485 1383533446 /nfs/dbraw/zinc/53/34/46/1383533446.db2.gz WBBXFFOIOWNIEJ-UHFFFAOYSA-N 1 0 344.802 3.416 20 5 EGBDRO C[NH+](C)CC(C)(C)CNc1cnc(Oc2ccc([N+](=O)[O-])cc2)nc1 ZINC001168767542 1383997009 /nfs/dbraw/zinc/99/70/09/1383997009.db2.gz DLXSIMYKSYEBGA-UHFFFAOYSA-N 1 0 345.403 3.177 20 5 EGBDRO COc1ccc(-c2nc(C[NH2+][C@H]3CC[C@H](C[N+](=O)[O-])C3)cs2)cc1 ZINC001168970964 1384074122 /nfs/dbraw/zinc/07/41/22/1384074122.db2.gz JIXXRMIKPJOBTM-JSGCOSHPSA-N 1 0 347.440 3.354 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2cc(F)ccc2Br)C1 ZINC001168975824 1384077064 /nfs/dbraw/zinc/07/70/64/1384077064.db2.gz XJNVSTTYPVYMDE-JOYOIKCWSA-N 1 0 331.185 3.123 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H](CCO)c2cccc3ccccc32)C1 ZINC001168978174 1384077627 /nfs/dbraw/zinc/07/76/27/1384077627.db2.gz PJTJQAUTUCHEHQ-SIXWZSSISA-N 1 0 328.412 3.298 20 5 EGBDRO CC(C)(C)OC(=O)c1ccc(CC[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001168989282 1384079915 /nfs/dbraw/zinc/07/99/15/1384079915.db2.gz VOVVBXCNKGTNKR-NVXWUHKLSA-N 1 0 348.443 3.219 20 5 EGBDRO Cc1ccc(CN2CCC([NH2+][C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)c(F)c1 ZINC001168990368 1384080195 /nfs/dbraw/zinc/08/01/95/1384080195.db2.gz CAVFXTPSPYOYCT-YJBOKZPZSA-N 1 0 349.450 3.134 20 5 EGBDRO O=C1CCCCCN1c1ccc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001168990840 1384080870 /nfs/dbraw/zinc/08/08/70/1384080870.db2.gz DUZIDSWKAKVSMO-IRXDYDNUSA-N 1 0 345.443 3.129 20 5 EGBDRO COc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)c1OC ZINC001168996634 1384082025 /nfs/dbraw/zinc/08/20/25/1384082025.db2.gz WOHAUDYRHDOLIY-GVXVVHGQSA-N 1 0 342.823 3.453 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCn3cccc3[C@@H]2c2ccccc2)C1 ZINC001169007439 1384086146 /nfs/dbraw/zinc/08/61/46/1384086146.db2.gz NRZNXLLTLQWBSC-SUMDDJOVSA-N 1 0 325.412 3.339 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCN([C@H]3CCCc4ccccc43)CC2)C1 ZINC001169039980 1384098126 /nfs/dbraw/zinc/09/81/26/1384098126.db2.gz WNQLSJNJFDXYEQ-POAQFYNOSA-N 1 0 343.471 3.127 20 5 EGBDRO CN1CCC([N@H+](Cc2ccc(F)cc2)[C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169055824 1384101518 /nfs/dbraw/zinc/10/15/18/1384101518.db2.gz QQZOHDLLBDNWKU-LPHOPBHVSA-N 1 0 349.450 3.167 20 5 EGBDRO CCOc1ccc(C[NH2+][C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])cn1 ZINC001170307826 1384287253 /nfs/dbraw/zinc/28/72/53/1384287253.db2.gz IKXHELXVELWGRP-ZDUSSCGKSA-N 1 0 345.399 3.118 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2cccnc2Cl)c([N+](=O)[O-])c1 ZINC001170311080 1384287951 /nfs/dbraw/zinc/28/79/51/1384287951.db2.gz ZCTYRXKNTSTPJT-LLVKDONJSA-N 1 0 335.791 3.373 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+][C@@H](C)c2cccc(N)c2)c([N+](=O)[O-])c1 ZINC001170313578 1384288405 /nfs/dbraw/zinc/28/84/05/1384288405.db2.gz OYOGZZNHUGPEAC-STQMWFEESA-N 1 0 329.400 3.467 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+]Cc2ccncc2Cl)c([N+](=O)[O-])c1 ZINC001170313010 1384288633 /nfs/dbraw/zinc/28/86/33/1384288633.db2.gz IHWNSPAHSGCBBI-NSHDSACASA-N 1 0 335.791 3.373 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H](C)Cc2ccc(O)cc2)c([N+](=O)[O-])c1 ZINC001170319640 1384290158 /nfs/dbraw/zinc/29/01/58/1384290158.db2.gz XUCRYEBXFIHDQM-UONOGXRCSA-N 1 0 344.411 3.461 20 5 EGBDRO COc1ccc(C[C@H](C)[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001170327763 1384292207 /nfs/dbraw/zinc/29/22/07/1384292207.db2.gz HQVYQIHDIYEHLH-JCKWVBRZSA-N 1 0 334.416 3.035 20 5 EGBDRO COc1ccc(C[C@H](C)[N@@H+]2CCOc3ccccc3C2)c([N+](=O)[O-])c1 ZINC001170347583 1384296834 /nfs/dbraw/zinc/29/68/34/1384296834.db2.gz SBJSASHEZFKGTK-AWEZNQCLSA-N 1 0 342.395 3.429 20 5 EGBDRO COc1ccc(C[C@H](C)[NH+]2CC(C)(C)OC(C)(C)C2)c([N+](=O)[O-])c1 ZINC001170354815 1384299018 /nfs/dbraw/zinc/29/90/18/1384299018.db2.gz PNODJMYPOYSYOE-ZDUSSCGKSA-N 1 0 336.432 3.424 20 5 EGBDRO CCOC(=O)C[C@H]1CC[C@H](Nc2cc3c(cc2[N+](=O)[O-])C[NH2+]C3)CC1 ZINC001170703037 1384369939 /nfs/dbraw/zinc/36/99/39/1384369939.db2.gz ZHDJDGXFAOGTLS-NNUKFRKNSA-N 1 0 347.415 3.122 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](CO)CC(F)(F)F ZINC001335836576 1388947996 /nfs/dbraw/zinc/94/79/96/1388947996.db2.gz COGSKTBCOUIIKX-DTWKUNHWSA-N 1 0 338.351 3.281 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]C[C@@H](O)c1ccccc1)CC2 ZINC001172898714 1384873950 /nfs/dbraw/zinc/87/39/50/1384873950.db2.gz NTKWRLGDUUOZPI-PKOBYXMFSA-N 1 0 326.396 3.165 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH+]1CCC3(C[C@H]3CCO)CC1)CC2 ZINC001172904206 1384874564 /nfs/dbraw/zinc/87/45/64/1384874564.db2.gz MARPHDCEEYIQKN-QZTJIDSGSA-N 1 0 344.455 3.327 20 5 EGBDRO CCOC(=O)C(C)(C)C[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172902975 1384874710 /nfs/dbraw/zinc/87/47/10/1384874710.db2.gz NXSZWDPNEUBTJF-HNNXBMFYSA-N 1 0 334.416 3.021 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1CCC[C@@]3(CCOC3)C1)CC2 ZINC001172902445 1384875141 /nfs/dbraw/zinc/87/51/41/1384875141.db2.gz BMHAYJODAALIOL-PKOBYXMFSA-N 1 0 330.428 3.345 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CC[C@H]3CCCO[C@H]3C1)CC2 ZINC001172905608 1384875394 /nfs/dbraw/zinc/87/53/94/1384875394.db2.gz SRFMRDDWQVUZLV-SUMDDJOVSA-N 1 0 330.428 3.343 20 5 EGBDRO CCN1CCC([N@H+](C)[C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172912475 1384875805 /nfs/dbraw/zinc/87/58/05/1384875805.db2.gz AWFUQABPAUAFJA-KRWDZBQOSA-N 1 0 331.460 3.258 20 5 EGBDRO CC(C)N(C)[C@H]1CC[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172918370 1384878187 /nfs/dbraw/zinc/87/81/87/1384878187.db2.gz AWBIMKWQQDKRLI-MJGOQNOKSA-N 1 0 331.460 3.257 20 5 EGBDRO CC(C)N(C)[C@H]1CC[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172918360 1384878634 /nfs/dbraw/zinc/87/86/34/1384878634.db2.gz AWBIMKWQQDKRLI-HKUYNNGSSA-N 1 0 331.460 3.257 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H](n1ccnc1[C@@H]1CCC[NH2+]C1)CC2 ZINC001172921787 1384879494 /nfs/dbraw/zinc/87/94/94/1384879494.db2.gz SZVWOGMJDVBBIG-SJORKVTESA-N 1 0 340.427 3.378 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@@H](C)c2nccs2)c1F ZINC001173190186 1384933765 /nfs/dbraw/zinc/93/37/65/1384933765.db2.gz VHGWNORWOZDWEP-UWVGGRQHSA-N 1 0 339.392 3.481 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCCN(c2ccccn2)C1 ZINC001173224215 1384939167 /nfs/dbraw/zinc/93/91/67/1384939167.db2.gz MSOJUNFRNGRIDA-NVXWUHKLSA-N 1 0 340.427 3.179 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](C)[C@](O)(C(F)(F)F)C1 ZINC001173226449 1384939860 /nfs/dbraw/zinc/93/98/60/1384939860.db2.gz LQYIRQXARJBCGK-JMSVASOKSA-N 1 0 346.349 3.161 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](O)[C@@H]1Cc1ccccc1 ZINC001173225694 1384940104 /nfs/dbraw/zinc/94/01/04/1384940104.db2.gz NUMKAIQNXAJTQO-RYGJVYDSSA-N 1 0 340.423 3.204 20 5 EGBDRO COC(=O)c1cccc(C[N@H+](C)[C@@H](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001173229856 1384940754 /nfs/dbraw/zinc/94/07/54/1384940754.db2.gz AXKJJPLZHNBZPN-AWEZNQCLSA-N 1 0 342.395 3.444 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCN(c2cccc(F)c2)CC1 ZINC001173230749 1384940901 /nfs/dbraw/zinc/94/09/01/1384940901.db2.gz FJYQUVSCZIBHEG-OAHLLOKOSA-N 1 0 343.402 3.487 20 5 EGBDRO Cc1cnccc1O[C@@H]1CC[N@@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173232356 1384941602 /nfs/dbraw/zinc/94/16/02/1384941602.db2.gz AXHBWEUNVJAKPS-CRAIPNDOSA-N 1 0 341.411 3.383 20 5 EGBDRO CCc1noc([C@H]2CCC[N@@H+]([C@H](C)Cc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC001173234185 1384942042 /nfs/dbraw/zinc/94/20/42/1384942042.db2.gz PLGMWOYEFZQFAR-HIFRSBDPSA-N 1 0 344.415 3.351 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)C[C@H]1Cc2ccccc2O1 ZINC001173238353 1384942814 /nfs/dbraw/zinc/94/28/14/1384942814.db2.gz QJDADOZEEBCUOS-RDTXWAMCSA-N 1 0 326.396 3.461 20 5 EGBDRO CC1(C)CCC(C(=O)NCCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001177161028 1385839617 /nfs/dbraw/zinc/83/96/17/1385839617.db2.gz VFYUWVYUYAOEQI-UHFFFAOYSA-N 1 0 347.459 3.407 20 5 EGBDRO O=C(/C=C/C1CC1)NCCCCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001178109748 1386131030 /nfs/dbraw/zinc/13/10/30/1386131030.db2.gz KJKXPYCLIOQSPR-ZHACJKMWSA-N 1 0 345.443 3.327 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1CCCC[C@H]1[NH+](C)C ZINC001319519715 1386157441 /nfs/dbraw/zinc/15/74/41/1386157441.db2.gz NRBCEZJLFTXFKJ-UKRRQHHQSA-N 1 0 334.420 3.206 20 5 EGBDRO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC001319838570 1386327729 /nfs/dbraw/zinc/32/77/29/1386327729.db2.gz RZDMDPULFFAJNR-GXTWGEPZSA-N 1 0 340.811 3.243 20 5 EGBDRO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC001319838571 1386328262 /nfs/dbraw/zinc/32/82/62/1386328262.db2.gz RZDMDPULFFAJNR-JSGCOSHPSA-N 1 0 340.811 3.243 20 5 EGBDRO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CC[C@H]3CCCC[C@H]3C1)OCCO2 ZINC001320475294 1386620486 /nfs/dbraw/zinc/62/04/86/1386620486.db2.gz LIOMYOPYEBCPAP-KGLIPLIRSA-N 1 0 332.400 3.378 20 5 EGBDRO COc1c(O)ccc(C[NH2+]C[C@H](C)Cc2cccs2)c1[N+](=O)[O-] ZINC001333683539 1390374061 /nfs/dbraw/zinc/37/40/61/1390374061.db2.gz FAZJMYHSGLIOAP-LLVKDONJSA-N 1 0 336.413 3.339 20 5 EGBDRO COC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001347319397 1391053587 /nfs/dbraw/zinc/05/35/87/1391053587.db2.gz GHVXIIOYCMDQST-JQWIXIFHSA-N 1 0 347.198 3.333 20 5 EGBDRO CC[NH+](CC)CC[C@H](C)NC(=O)c1cc(Cl)c(C)cc1[N+](=O)[O-] ZINC001347660451 1391107702 /nfs/dbraw/zinc/10/77/02/1391107702.db2.gz LZQIGSDZQKGSBC-LBPRGKRZSA-N 1 0 341.839 3.407 20 5 EGBDRO Cc1cccc(C(=O)NCC[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)c1C ZINC001753072925 1440289375 /nfs/dbraw/zinc/28/93/75/1440289375.db2.gz AHKRTHSCJRWUOT-UHFFFAOYSA-N 1 0 341.411 3.073 20 5 EGBDRO CC1(C(=O)NCC2=CC[N@H+](Cc3ccc([N+](=O)[O-])cc3)CC2)CCC1 ZINC001755892063 1440941550 /nfs/dbraw/zinc/94/15/50/1440941550.db2.gz XAHZSJYQGCKORB-UHFFFAOYSA-N 1 0 343.427 3.033 20 5 EGBDRO NC(=O)C[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000368137074 168315834 /nfs/dbraw/zinc/31/58/34/168315834.db2.gz XAXFBJDTQYWMFQ-LBPRGKRZSA-N 1 0 345.424 3.021 20 5 EGBDRO C[C@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000178655004 232345475 /nfs/dbraw/zinc/34/54/75/232345475.db2.gz DHPLYQBJXKDEON-JSGCOSHPSA-N 1 0 335.404 3.255 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)NCc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000181838425 234344534 /nfs/dbraw/zinc/34/45/34/234344534.db2.gz LHXMYULXCCXZAD-ZDUSSCGKSA-N 1 0 345.374 3.009 20 5 EGBDRO C[NH+](C)[C@@H](CNc1nc2sccn2c1[N+](=O)[O-])c1cccs1 ZINC000032806261 202235888 /nfs/dbraw/zinc/23/58/88/202235888.db2.gz MINJHYUNQKAXOK-VIFPVBQESA-N 1 0 337.430 3.080 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ncn(C[N@H+](C3CC3)C3CCCC3)n2)cc1 ZINC000032923225 202242591 /nfs/dbraw/zinc/24/25/91/202242591.db2.gz YSDUDICSTVYBMO-UHFFFAOYSA-N 1 0 327.388 3.218 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000072693482 216294706 /nfs/dbraw/zinc/29/47/06/216294706.db2.gz OKEPBLHKSRVIJR-YOEHRIQHSA-N 1 0 331.416 3.496 20 5 EGBDRO Cc1nn(C)c(N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000267524494 201223222 /nfs/dbraw/zinc/22/32/22/201223222.db2.gz RIDKKVARTNRCKS-XJKSGUPXSA-N 1 0 343.431 3.102 20 5 EGBDRO C[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CCN1C(=O)OC(C)(C)C ZINC000278544215 201305158 /nfs/dbraw/zinc/30/51/58/201305158.db2.gz XUWUGWMERAYFLR-ZFWWWQNUSA-N 1 0 349.431 3.472 20 5 EGBDRO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000278024903 201309401 /nfs/dbraw/zinc/30/94/01/201309401.db2.gz WQUSDWKFWJDGPB-UKRRQHHQSA-N 1 0 349.431 3.330 20 5 EGBDRO COC(=O)[C@H]1CC[C@@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000193502252 240190880 /nfs/dbraw/zinc/19/08/80/240190880.db2.gz VEBBFYAHUAUTOU-UONOGXRCSA-N 1 0 344.367 3.286 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000216227197 241175997 /nfs/dbraw/zinc/17/59/97/241175997.db2.gz GUVQNGYYTSZDKN-UKTARXLSSA-N 1 0 349.431 3.345 20 5 EGBDRO Cc1ccc([C@H](C)NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)cc1[N+](=O)[O-] ZINC000246491546 243260533 /nfs/dbraw/zinc/26/05/33/243260533.db2.gz DRTPURJARMQLJJ-XZDPQHSOSA-N 1 0 331.416 3.001 20 5 EGBDRO CC(C)[NH2+]C1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000075956080 203328128 /nfs/dbraw/zinc/32/81/28/203328128.db2.gz VLLJNHSFCRBPNL-UHFFFAOYSA-N 1 0 340.811 3.243 20 5 EGBDRO Cc1cccc([C@@H]2CCC[N@@H+]2CCn2cc([N+](=O)[O-])ccc2=O)c1C ZINC000090550458 203616767 /nfs/dbraw/zinc/61/67/67/203616767.db2.gz HFZQZQLVSNZVFG-SFHVURJKSA-N 1 0 341.411 3.210 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000092230084 203670035 /nfs/dbraw/zinc/67/00/35/203670035.db2.gz SYLVGVBIDQNHIE-LSDHHAIUSA-N 1 0 333.432 3.123 20 5 EGBDRO NC(=O)c1ccc(C[NH2+][C@H](c2ccccc2)C2CCC2)c([N+](=O)[O-])c1 ZINC000104698864 204115869 /nfs/dbraw/zinc/11/58/69/204115869.db2.gz JOPYPSFSNVFKAT-GOSISDBHSA-N 1 0 339.395 3.325 20 5 EGBDRO COc1ccc(C[NH2+]C[C@@H](c2ccco2)N2CCCC2)cc1[N+](=O)[O-] ZINC000106465699 204196197 /nfs/dbraw/zinc/19/61/97/204196197.db2.gz RKQHGOLOQXRKLQ-INIZCTEOSA-N 1 0 345.399 3.123 20 5 EGBDRO CC[NH2+]Cc1cccc(NC(=O)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000123005403 204898132 /nfs/dbraw/zinc/89/81/32/204898132.db2.gz CNKNTANROYWECZ-UHFFFAOYSA-N 1 0 327.384 3.276 20 5 EGBDRO C[NH+](C)C[C@H]1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000125457748 205012162 /nfs/dbraw/zinc/01/21/62/205012162.db2.gz DDKYBACXZFMKRR-CYBMUJFWSA-N 1 0 346.456 3.102 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000125730131 205022307 /nfs/dbraw/zinc/02/23/07/205022307.db2.gz XUSBIKVHZKUQFQ-HNNXBMFYSA-N 1 0 348.447 3.311 20 5 EGBDRO CC[C@H](c1ccncc1)N(C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000130310863 205232249 /nfs/dbraw/zinc/23/22/49/205232249.db2.gz JZBZJXDIKDXHNP-OAHLLOKOSA-N 1 0 328.372 3.011 20 5 EGBDRO COc1cc(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)ccn1 ZINC000131682015 205298826 /nfs/dbraw/zinc/29/88/26/205298826.db2.gz DEHRQIICIKMEQJ-INIZCTEOSA-N 1 0 327.384 3.109 20 5 EGBDRO O=C(c1cc2ccccc2c2cccnc12)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000158654565 205351939 /nfs/dbraw/zinc/35/19/39/205351939.db2.gz NSBUDOZTPAXWCP-OAQYLSRUSA-N 1 0 331.419 3.214 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1Cc2ccccc2C1 ZINC000155539131 206016356 /nfs/dbraw/zinc/01/63/56/206016356.db2.gz PJUQVNGVBLPURN-UHFFFAOYSA-N 1 0 325.368 3.248 20 5 EGBDRO CC[C@@H]([NH2+]Cc1cccc(C(=O)NC)c1)c1cccc([N+](=O)[O-])c1 ZINC000155902090 206043811 /nfs/dbraw/zinc/04/38/11/206043811.db2.gz CTPQVQMVBGFLJK-QGZVFWFLSA-N 1 0 327.384 3.195 20 5 EGBDRO NC(=O)C1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000158585805 206199720 /nfs/dbraw/zinc/19/97/20/206199720.db2.gz SAFATLAJANJWKR-UHFFFAOYSA-N 1 0 345.424 3.021 20 5 EGBDRO O=C(CC[N@@H+]1CCc2sccc2C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000158609779 206202094 /nfs/dbraw/zinc/20/20/94/206202094.db2.gz WVFDPIOTTHNLME-UHFFFAOYSA-N 1 0 349.387 3.182 20 5 EGBDRO Cc1c(CC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000161747893 206368824 /nfs/dbraw/zinc/36/88/24/206368824.db2.gz UQWMZKOXVQPDNW-HNNXBMFYSA-N 1 0 347.459 3.217 20 5 EGBDRO CC(C)[NH+]1CCC(Nc2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000301558822 206477784 /nfs/dbraw/zinc/47/77/84/206477784.db2.gz TTYFLPADMCYLLT-UHFFFAOYSA-N 1 0 343.225 3.037 20 5 EGBDRO CCN(CCC[NH+](CC)CC)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000351817345 284590784 /nfs/dbraw/zinc/59/07/84/284590784.db2.gz WLNDHSQHGWOKBY-UHFFFAOYSA-N 1 0 341.839 3.442 20 5 EGBDRO Cc1nc(NC[C@H]2CCC[N@@H+]2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000301667263 206480802 /nfs/dbraw/zinc/48/08/02/206480802.db2.gz OWBZGGFCUJDOLF-MRXNPFEDSA-N 1 0 326.400 3.375 20 5 EGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)C[C@@H](O)COCc1ccccc1 ZINC000266513224 248340116 /nfs/dbraw/zinc/34/01/16/248340116.db2.gz FNIOJOQYUJESCS-DOTOQJQBSA-N 1 0 344.411 3.165 20 5 EGBDRO C[C@@H]([NH2+]Cc1cccc(C(=O)N(C)C)c1)c1ccc([N+](=O)[O-])cc1 ZINC000267463688 251080441 /nfs/dbraw/zinc/08/04/41/251080441.db2.gz VWZUXZWNQDMTQW-CYBMUJFWSA-N 1 0 327.384 3.147 20 5 EGBDRO CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(C[NH+](C)C)ccn2)c1 ZINC000176924391 207276234 /nfs/dbraw/zinc/27/62/34/207276234.db2.gz KEXWAJNUBBCKCB-UHFFFAOYSA-N 1 0 346.412 3.026 20 5 EGBDRO O=[N+]([O-])c1cc(F)ccc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000247293327 285095198 /nfs/dbraw/zinc/09/51/98/285095198.db2.gz BSAYWBTYKPEZPN-UHFFFAOYSA-N 1 0 329.375 3.446 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+](Cc2cccc(O)c2)CC2CC2)c1 ZINC000154271520 224229242 /nfs/dbraw/zinc/22/92/42/224229242.db2.gz WNHCPXHDNOJWCQ-IBGZPJMESA-N 1 0 342.395 3.246 20 5 EGBDRO C[C@@H]([NH2+]C1CCC(O)(c2cccnc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000186335105 533338463 /nfs/dbraw/zinc/33/84/63/533338463.db2.gz LUQFPIYEBUIYAS-ZCGYKAAXSA-N 1 0 341.411 3.471 20 5 EGBDRO COc1ccc2oc([C@@H](C)[NH2+]CCn3ccc([N+](=O)[O-])n3)c(C)c2c1 ZINC000184324360 533357199 /nfs/dbraw/zinc/35/71/99/533357199.db2.gz KLWIUDSCVMSCIO-GFCCVEGCSA-N 1 0 344.371 3.205 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCC[C@@H](C(=O)N(C)C)C1 ZINC000344818617 533409207 /nfs/dbraw/zinc/40/92/07/533409207.db2.gz FKMQERKHFXEUHR-PNUWANSTSA-N 1 0 345.443 3.235 20 5 EGBDRO COc1ccc(-c2ccc(C[NH2+]C[C@H]3CCCOC3)o2)c([N+](=O)[O-])c1 ZINC000237430442 141002265 /nfs/dbraw/zinc/00/22/65/141002265.db2.gz OIRPGTSGLQAFCM-CYBMUJFWSA-N 1 0 346.383 3.380 20 5 EGBDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000342967238 141153478 /nfs/dbraw/zinc/15/34/78/141153478.db2.gz ULDAABYKROSDHI-INIZCTEOSA-N 1 0 348.447 3.049 20 5 EGBDRO CCc1cccc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000346469770 141201412 /nfs/dbraw/zinc/20/14/12/141201412.db2.gz AEBVRADPGBUWFZ-MRXNPFEDSA-N 1 0 326.400 3.239 20 5 EGBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000172481117 144021888 /nfs/dbraw/zinc/02/18/88/144021888.db2.gz ZJJXBOKUTSNGGA-SGMGOOAPSA-N 1 0 335.404 3.099 20 5 EGBDRO CCn1nc(C)c([N+](=O)[O-])c1N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000192681996 144177814 /nfs/dbraw/zinc/17/78/14/144177814.db2.gz XHKMJADFONNDOE-BBRMVZONSA-N 1 0 343.431 3.195 20 5 EGBDRO NC(=O)c1ccc(C[NH2+][C@H]2CCCCC23CCCC3)c([N+](=O)[O-])c1 ZINC000361590773 144333319 /nfs/dbraw/zinc/33/33/19/144333319.db2.gz KBGOSSCXMASOIB-INIZCTEOSA-N 1 0 331.416 3.286 20 5 EGBDRO C[C@H](CNc1ncnc2sc([N+](=O)[O-])cc21)[N@@H+]1CCCC[C@@H]1C ZINC000341528191 155337098 /nfs/dbraw/zinc/33/70/98/155337098.db2.gz FHOWBOOEGVPMCH-WDEREUQCSA-N 1 0 335.433 3.274 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]CCCN2C[C@@H](C)O[C@H](C)C2)cc1[N+](=O)[O-] ZINC000119903041 152237327 /nfs/dbraw/zinc/23/73/27/152237327.db2.gz FFNHNMHOSCKPIV-OAGGEKHMSA-N 1 0 335.448 3.053 20 5 EGBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2C[C@@H]3CCCC[C@@]32c2ccccc2)c1 ZINC000120158043 152256449 /nfs/dbraw/zinc/25/64/49/152256449.db2.gz COGHCDYWGFRRIQ-FUHWJXTLSA-N 1 0 326.400 3.193 20 5 EGBDRO Nc1ccc([N+](=O)[O-])c(NC2CC[NH+](Cc3ccc(F)cc3)CC2)c1 ZINC000193390069 153289134 /nfs/dbraw/zinc/28/91/34/153289134.db2.gz SSYUZCPILNAUGN-UHFFFAOYSA-N 1 0 344.390 3.393 20 5 EGBDRO CCN(CC)c1ncc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)s1 ZINC000194415821 153335166 /nfs/dbraw/zinc/33/51/66/153335166.db2.gz XKQXYTMORWMRHF-UHFFFAOYSA-N 1 0 334.445 3.230 20 5 EGBDRO O=[N+]([O-])c1ccc(CN2CCC[N@H+](Cc3ccccc3)CC2)c(F)c1 ZINC000323650281 154171625 /nfs/dbraw/zinc/17/16/25/154171625.db2.gz WOMDJVQBAVFTJN-UHFFFAOYSA-N 1 0 343.402 3.442 20 5 EGBDRO Cc1ccc(NC(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000337372267 154315166 /nfs/dbraw/zinc/31/51/66/154315166.db2.gz PBNRKHIYKFMAQR-KGLIPLIRSA-N 1 0 334.420 3.288 20 5 EGBDRO COc1ccccc1[C@H](CNc1ccc([N+](=O)[O-])nc1)[NH+]1CCCC1 ZINC000339939264 155042704 /nfs/dbraw/zinc/04/27/04/155042704.db2.gz VLPWHFUUXNYVST-INIZCTEOSA-N 1 0 342.399 3.247 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C3CCC(CO)CC3)o2)cc1 ZINC000344959420 155869373 /nfs/dbraw/zinc/86/93/73/155869373.db2.gz DELPZUJCOVNOOM-UHFFFAOYSA-N 1 0 330.384 3.496 20 5 EGBDRO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](O)Cc1cccc(Cl)c1 ZINC000346839129 156160220 /nfs/dbraw/zinc/16/02/20/156160220.db2.gz GJSCOVOABLEVTD-MRXNPFEDSA-N 1 0 334.803 3.284 20 5 EGBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]Cc2cnn(CC(F)F)c2)cc1 ZINC000352635026 156392116 /nfs/dbraw/zinc/39/21/16/156392116.db2.gz BFIHGZGMLQTONZ-UHFFFAOYSA-N 1 0 338.358 3.169 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc3c(c2)oc(=O)n3C)cc1[N+](=O)[O-] ZINC000352643176 156395816 /nfs/dbraw/zinc/39/58/16/156395816.db2.gz LKSDBLANMNTSET-LBPRGKRZSA-N 1 0 341.367 3.199 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@]1(C)CCO[C@@H]1C1CC1 ZINC000368765534 157284668 /nfs/dbraw/zinc/28/46/68/157284668.db2.gz PNNJTWGSGXDOKN-QZTJIDSGSA-N 1 0 334.416 3.288 20 5 EGBDRO CC[C@@H](C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)[NH+](CC)CC ZINC000359664808 286728176 /nfs/dbraw/zinc/72/81/76/286728176.db2.gz DCYWFIVWPLTBTL-INIZCTEOSA-N 1 0 333.432 3.206 20 5 EGBDRO C[C@@H]1C[C@@H](N(C)c2ccc([N+](=O)[O-])cn2)CC[N@@H+]1Cc1ccccc1 ZINC000150876401 162557213 /nfs/dbraw/zinc/55/72/13/162557213.db2.gz AGSZKKNLBYYFOJ-WBVHZDCISA-N 1 0 340.427 3.479 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CCCC[C@@H](C)C1 ZINC000248559511 163014509 /nfs/dbraw/zinc/01/45/09/163014509.db2.gz MDVZFRLWKKSPHU-CHWSQXEVSA-N 1 0 335.404 3.052 20 5 EGBDRO COCC[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)C(C)(C)C ZINC000337950080 163195203 /nfs/dbraw/zinc/19/52/03/163195203.db2.gz OXNUVFDHZYQNNO-HNNXBMFYSA-N 1 0 338.404 3.002 20 5 EGBDRO COc1ccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1NC(C)=O ZINC000343915445 164065042 /nfs/dbraw/zinc/06/50/42/164065042.db2.gz OZLDVFMBRCTRRX-GFCCVEGCSA-N 1 0 343.383 3.413 20 5 EGBDRO CC(C)[C@H]1CCC[N@@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000343917365 164065432 /nfs/dbraw/zinc/06/54/32/164065432.db2.gz ZHBZIKNMKVJQNS-CQSZACIVSA-N 1 0 333.388 3.013 20 5 EGBDRO COc1ccc(NC(=O)CC[N@@H+]2C[C@H](C)CC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000344026998 164085120 /nfs/dbraw/zinc/08/51/20/164085120.db2.gz KKMDDEKHIPNMHL-CYBMUJFWSA-N 1 0 349.431 3.300 20 5 EGBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC)C12CCCC2 ZINC000344105805 164103755 /nfs/dbraw/zinc/10/37/55/164103755.db2.gz QEQNLNWROQAALH-DLBZAZTESA-N 1 0 334.416 3.431 20 5 EGBDRO C[N@H+](CC1CC1)C[C@H]1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000352011875 165191888 /nfs/dbraw/zinc/19/18/88/165191888.db2.gz CXQVNFCJQQSGGO-CYBMUJFWSA-N 1 0 339.386 3.037 20 5 EGBDRO C[C@@]1(c2ccccc2)CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000352194385 165279488 /nfs/dbraw/zinc/27/94/88/165279488.db2.gz JJKWTHFJNBOJBW-GOSISDBHSA-N 1 0 328.416 3.235 20 5 EGBDRO COc1ccccc1[C@@H]1CC[C@H](C)C[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000352256034 165313858 /nfs/dbraw/zinc/31/38/58/165313858.db2.gz FVDPZIQRIKKKKR-HOCLYGCPSA-N 1 0 344.415 3.273 20 5 EGBDRO COc1ccc(CN2CCC[C@@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)cc1[N+](=O)[O-] ZINC000352311280 165336722 /nfs/dbraw/zinc/33/67/22/165336722.db2.gz UGTCJLACGDZQNB-HLLBOEOZSA-N 1 0 347.459 3.441 20 5 EGBDRO CC(C)[C@H](Cc1ccc(F)cc1)[N@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000355333047 166167107 /nfs/dbraw/zinc/16/71/07/166167107.db2.gz OUOJJQHZGTYJBN-HNNXBMFYSA-N 1 0 334.395 3.167 20 5 EGBDRO Cn1cc2c(n1)CCC[C@H]2[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000359003952 167035572 /nfs/dbraw/zinc/03/55/72/167035572.db2.gz OYUCXQOEYMSBKX-CQSZACIVSA-N 1 0 334.807 3.191 20 5 EGBDRO Cc1c(C[NH2+]Cc2ccccc2N2CCOCC2)cccc1[N+](=O)[O-] ZINC000359787352 167232192 /nfs/dbraw/zinc/23/21/92/167232192.db2.gz AFMRQQASHXZDMZ-UHFFFAOYSA-N 1 0 341.411 3.030 20 5 EGBDRO Nc1c(F)c(NC[C@H]2CC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000359828441 167243427 /nfs/dbraw/zinc/24/34/27/167243427.db2.gz FXPGQYPBMUTLNV-CQSZACIVSA-N 1 0 344.390 3.250 20 5 EGBDRO CCOC(=O)CC(C)(C)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000360213451 167273366 /nfs/dbraw/zinc/27/33/66/167273366.db2.gz PAQGPVQRXDCEKE-UHFFFAOYSA-N 1 0 328.796 3.412 20 5 EGBDRO C[C@H]1C[C@@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CN1C1CC1 ZINC000166246846 226152333 /nfs/dbraw/zinc/15/23/33/226152333.db2.gz CMYQWAHTNSWSIP-XCRHUMRWSA-N 1 0 329.444 3.131 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(CC[NH+](C)C)CC(C)C ZINC000085636102 264666671 /nfs/dbraw/zinc/66/66/71/264666671.db2.gz JLUAVVVOMLZNSN-UHFFFAOYSA-N 1 0 336.436 3.263 20 5 EGBDRO CCCC[NH+]1CCC(NC(=O)c2ccc(CC)c([N+](=O)[O-])c2)CC1 ZINC000174213576 265032685 /nfs/dbraw/zinc/03/26/85/265032685.db2.gz LZXZZKMBPFOQEQ-UHFFFAOYSA-N 1 0 333.432 3.152 20 5 EGBDRO CCOC(=O)c1cc(NC[C@@H](c2ccco2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000177048335 265225640 /nfs/dbraw/zinc/22/56/40/265225640.db2.gz UXPACSAFAJVGMN-HNNXBMFYSA-N 1 0 347.371 3.079 20 5 EGBDRO CCOc1ccc(NC(=O)C[N@H+]2C[C@@H]3CCCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000177545285 265261336 /nfs/dbraw/zinc/26/13/36/265261336.db2.gz DIGMHXNQEYGQGX-OKILXGFUSA-N 1 0 347.415 3.054 20 5 EGBDRO C[C@H]1CCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[C@H]1C[NH3+] ZINC000179223250 265368195 /nfs/dbraw/zinc/36/81/95/265368195.db2.gz FQZBVZOYKOBWBN-GWCFXTLKSA-N 1 0 333.413 3.009 20 5 EGBDRO C[N@H+]1C[C@H]2CN(Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)C[C@H]2C1 ZINC000194539164 266126362 /nfs/dbraw/zinc/12/63/62/266126362.db2.gz HUVAYCPFIQLKGY-OKILXGFUSA-N 1 0 343.452 3.317 20 5 EGBDRO C[C@H](N[C@@H](C)c1ccccn1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000194712126 266139891 /nfs/dbraw/zinc/13/98/91/266139891.db2.gz HMIKYCQYUQPCRJ-QWRGUYRKSA-N 1 0 348.790 3.321 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+](Cc2ccc(F)cc2)C2CC2)c1 ZINC000269679030 266339318 /nfs/dbraw/zinc/33/93/18/266339318.db2.gz DLNWYFMRUJMVEE-SFHVURJKSA-N 1 0 330.359 3.432 20 5 EGBDRO C[C@@H](C[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1)NC(=O)OC(C)(C)C ZINC000271421631 266658971 /nfs/dbraw/zinc/65/89/71/266658971.db2.gz BUSOKKZCEVVITE-STQMWFEESA-N 1 0 337.420 3.376 20 5 EGBDRO CCn1cc(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])cn1 ZINC000271553948 266685672 /nfs/dbraw/zinc/68/56/72/266685672.db2.gz WFVBVOZSTBOOID-DOTOQJQBSA-N 1 0 328.416 3.312 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000272933819 266944028 /nfs/dbraw/zinc/94/40/28/266944028.db2.gz QQEFKNVLCYJSJG-LSDHHAIUSA-N 1 0 345.443 3.286 20 5 EGBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000273273352 267010107 /nfs/dbraw/zinc/01/01/07/267010107.db2.gz MSIPVRCMULWOSS-NSHDSACASA-N 1 0 339.823 3.051 20 5 EGBDRO O=[N+]([O-])c1cnc(NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)nc1 ZINC000273652365 267076394 /nfs/dbraw/zinc/07/63/94/267076394.db2.gz UOPLDONWVIDFCY-OAHLLOKOSA-N 1 0 347.806 3.287 20 5 EGBDRO COCCC(C)(C)C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000273797403 267111482 /nfs/dbraw/zinc/11/14/82/267111482.db2.gz WPAXKAGQYHKEFD-INIZCTEOSA-N 1 0 346.431 3.070 20 5 EGBDRO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)[C@]12CCCO2 ZINC000274242986 267203674 /nfs/dbraw/zinc/20/36/74/267203674.db2.gz RAADKQMQBDHJFV-VIBAHUMZSA-N 1 0 334.416 3.280 20 5 EGBDRO CCC(C)(C)[NH2+][C@@H](C)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000274856782 267297115 /nfs/dbraw/zinc/29/71/15/267297115.db2.gz VCBYHRWFVALAFM-JTQLQIEISA-N 1 0 327.812 3.031 20 5 EGBDRO C[NH+](C)CCc1ccc(CNc2ncc([N+](=O)[O-])cc2Cl)cc1 ZINC000276246087 267501359 /nfs/dbraw/zinc/50/13/59/267501359.db2.gz CUXJQWAYYQLAMN-UHFFFAOYSA-N 1 0 334.807 3.359 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000194803809 275226244 /nfs/dbraw/zinc/22/62/44/275226244.db2.gz NNXIZAKZOFXHGI-UHFFFAOYSA-N 1 0 331.416 3.040 20 5 EGBDRO COCCN1CCC([NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000279097799 275303525 /nfs/dbraw/zinc/30/35/25/275303525.db2.gz NZEGRHDPUIEAJQ-GOSISDBHSA-N 1 0 347.459 3.018 20 5 EGBDRO CO[C@]1(C)CCC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000279254836 275316604 /nfs/dbraw/zinc/31/66/04/275316604.db2.gz HLPMIMTUBOMVHL-GOSISDBHSA-N 1 0 345.399 3.293 20 5 EGBDRO COc1cc(C[NH2+]C[C@@H]2CCCC(F)(F)C2)c([N+](=O)[O-])cc1O ZINC000281938113 275590173 /nfs/dbraw/zinc/59/01/73/275590173.db2.gz HTGZDSFWCNHXTG-SNVBAGLBSA-N 1 0 330.331 3.224 20 5 EGBDRO C[C@H]([NH2+][C@@H]1CCC[C@H]1C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000282178759 275609156 /nfs/dbraw/zinc/60/91/56/275609156.db2.gz VPGPTHDDIHMDIN-GBIKHYSHSA-N 1 0 325.796 3.353 20 5 EGBDRO CCOc1cc(CN2C[C@H]([NH+]3CCCC3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000285498170 275882642 /nfs/dbraw/zinc/88/26/42/275882642.db2.gz JBCYUEDEZZWMCA-GOEBONIOSA-N 1 0 333.432 3.052 20 5 EGBDRO CCS[C@H]1CCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000286296392 275977615 /nfs/dbraw/zinc/97/76/15/275977615.db2.gz VIEDGQJMCOHACZ-GJZGRUSLSA-N 1 0 338.429 3.225 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000286594334 276020682 /nfs/dbraw/zinc/02/06/82/276020682.db2.gz QTMZIQHWJYZUEN-SLEUVZQESA-N 1 0 346.349 3.457 20 5 EGBDRO COc1cc(C(=O)OCc2cnccc2OC(C)C)ccc1[N+](=O)[O-] ZINC000286943759 276061276 /nfs/dbraw/zinc/06/12/76/276061276.db2.gz MHUJAIDIFBHQMK-UHFFFAOYSA-N 1 0 346.339 3.143 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000287168484 276091712 /nfs/dbraw/zinc/09/17/12/276091712.db2.gz JIRKAJXPJYDCEB-NUEKZKHPSA-N 1 0 336.819 3.338 20 5 EGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCCN3c4ccccc4C[C@@H]3C2)cc1F ZINC000289511828 276350580 /nfs/dbraw/zinc/35/05/80/276350580.db2.gz RBNXCEIRVWDZEB-MRXNPFEDSA-N 1 0 341.386 3.371 20 5 EGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)Cn1cccn1 ZINC000358001981 276429075 /nfs/dbraw/zinc/42/90/75/276429075.db2.gz FXPQHVVNRXEEJG-KBPBESRZSA-N 1 0 334.445 3.340 20 5 EGBDRO Cc1nn(C)c2ncc(C[NH2+]C(C)(C)c3ccccc3[N+](=O)[O-])cc12 ZINC000291701546 276678744 /nfs/dbraw/zinc/67/87/44/276678744.db2.gz KDRHUMPBRPCSJY-UHFFFAOYSA-N 1 0 339.399 3.210 20 5 EGBDRO CC(C)CC(=O)N1CCC([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000178083588 277342997 /nfs/dbraw/zinc/34/29/97/277342997.db2.gz XRESEFPBWMQHAC-CQSZACIVSA-N 1 0 333.432 3.283 20 5 EGBDRO CC(C)c1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000251934773 278021895 /nfs/dbraw/zinc/02/18/95/278021895.db2.gz UEDLWKPBLBSIJO-CZUORRHYSA-N 1 0 333.432 3.130 20 5 EGBDRO O=C(c1ccc([N+](=O)[O-])cc1)N(CC[NH+]1CCCCCC1)C1CCC1 ZINC000345809293 280189996 /nfs/dbraw/zinc/18/99/96/280189996.db2.gz SODIZMFHJKPUEF-UHFFFAOYSA-N 1 0 345.443 3.466 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000091937804 280397559 /nfs/dbraw/zinc/39/75/59/280397559.db2.gz DRUOIMSRXFPRKE-JKSUJKDBSA-N 1 0 345.443 3.076 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@H](C2(C)OCCO2)C1 ZINC000183854933 281021498 /nfs/dbraw/zinc/02/14/98/281021498.db2.gz KNBAQVYAROLVCM-GJZGRUSLSA-N 1 0 334.416 3.439 20 5 EGBDRO COc1cccc(CN(CC[NH+](C)C)Cc2csc([N+](=O)[O-])c2)c1 ZINC000349384935 295296379 /nfs/dbraw/zinc/29/63/79/295296379.db2.gz QKYNJNBPCJDYOB-UHFFFAOYSA-N 1 0 349.456 3.229 20 5 EGBDRO Cc1cnc(N2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000413533337 309036203 /nfs/dbraw/zinc/03/62/03/309036203.db2.gz PTJMHXXSCITJBA-OAHLLOKOSA-N 1 0 326.400 3.009 20 5 EGBDRO C[C@@H](C1CC1)[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CC1 ZINC000052607051 307332642 /nfs/dbraw/zinc/33/26/42/307332642.db2.gz USIZHZHJKYRHNK-NSHDSACASA-N 1 0 328.372 3.408 20 5 EGBDRO Cc1ccc(CC[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000072665237 307381249 /nfs/dbraw/zinc/38/12/49/307381249.db2.gz AQQMOIKMVMYUJV-MRXNPFEDSA-N 1 0 326.400 3.027 20 5 EGBDRO Cc1cccc(OC[C@H](O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000152895675 307761320 /nfs/dbraw/zinc/76/13/20/307761320.db2.gz RTCGSCGUMJEEDE-HZPDHXFCSA-N 1 0 344.411 3.302 20 5 EGBDRO CC[C@@H]([NH2+]C[C@H](CO)c1ccc(OC)cc1)c1cccc([N+](=O)[O-])c1 ZINC000414194478 309066115 /nfs/dbraw/zinc/06/61/15/309066115.db2.gz UUMBLZVPSPTLKA-VQIMIIECSA-N 1 0 344.411 3.420 20 5 EGBDRO C[C@@H](C[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(F)(F)F ZINC000414279959 309070327 /nfs/dbraw/zinc/07/03/27/309070327.db2.gz KHDGWKAHLNOMPX-MNOVXSKESA-N 1 0 347.337 3.490 20 5 EGBDRO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000249744114 308027785 /nfs/dbraw/zinc/02/77/85/308027785.db2.gz BGGYMYARPIVMIL-XGUBFFRZSA-N 1 0 333.432 3.423 20 5 EGBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NC1CC[NH+](C2CCCC2)CC1 ZINC000255582086 308054824 /nfs/dbraw/zinc/05/48/24/308054824.db2.gz MSRRDVLNZAQTME-YFHOEESVSA-N 1 0 343.427 3.131 20 5 EGBDRO COCC1(CC[NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)CCC1 ZINC000293035701 308092372 /nfs/dbraw/zinc/09/23/72/308092372.db2.gz ANUSEXDHKHYMCN-AWEZNQCLSA-N 1 0 349.431 3.108 20 5 EGBDRO CCC[C@@H](C)C(=O)NCC[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000293802073 308163024 /nfs/dbraw/zinc/16/30/24/308163024.db2.gz VDEZOEXLOLLWTN-HUUCEWRRSA-N 1 0 335.448 3.058 20 5 EGBDRO Cn1cc(CNc2ccc3c([nH+]2)CCC3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000294711210 308248596 /nfs/dbraw/zinc/24/85/96/308248596.db2.gz AEUNHYDMJNCXFE-UHFFFAOYSA-N 1 0 349.394 3.491 20 5 EGBDRO CCc1ccc(C(=O)N2CC(C)(C)[C@@H]2c2nccn2C)cc1[N+](=O)[O-] ZINC000295360183 308318422 /nfs/dbraw/zinc/31/84/22/308318422.db2.gz CJURGJRILXDQFK-HNNXBMFYSA-N 1 0 342.399 3.114 20 5 EGBDRO CC[C@@](C[NH2+]Cc1ccccc1[N+](=O)[O-])(C(=O)OC)c1ccccc1 ZINC000414595276 309091213 /nfs/dbraw/zinc/09/12/13/309091213.db2.gz ZFTVNSFVZLYTAS-IBGZPJMESA-N 1 0 342.395 3.205 20 5 EGBDRO C[C@@H](c1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000295592967 308341814 /nfs/dbraw/zinc/34/18/14/308341814.db2.gz MQTCIBSQGACSKU-UONOGXRCSA-N 1 0 333.432 3.269 20 5 EGBDRO [NH3+]C1(c2noc(-c3cc(C(F)(F)F)ccc3[N+](=O)[O-])n2)CCC1 ZINC000414621697 309092017 /nfs/dbraw/zinc/09/20/17/309092017.db2.gz BANCXCZSQWTSJY-UHFFFAOYSA-N 1 0 328.250 3.002 20 5 EGBDRO C[C@H]1CN(c2nccc3cc([N+](=O)[O-])ccc32)CC[N@@H+](C2CCC2)C1 ZINC000295748402 308356275 /nfs/dbraw/zinc/35/62/75/308356275.db2.gz ZMLJJEFGSJWQRL-CQSZACIVSA-N 1 0 340.427 3.454 20 5 EGBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)N(C)Cc1ccccc1 ZINC000296528429 308437456 /nfs/dbraw/zinc/43/74/56/308437456.db2.gz CSZOXIYQANDQRR-LSDHHAIUSA-N 1 0 341.411 3.293 20 5 EGBDRO CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCO1 ZINC000331942387 308821849 /nfs/dbraw/zinc/82/18/49/308821849.db2.gz RPJRBIXELJYZFJ-FPCVCCKLSA-N 1 0 336.436 3.068 20 5 EGBDRO CC[NH+](CC)[C@@H](CNc1ccc([N+](=O)[O-])c(C)n1)c1ccccc1 ZINC000392453504 308902115 /nfs/dbraw/zinc/90/21/15/308902115.db2.gz FGSKZPNIGNTNNZ-KRWDZBQOSA-N 1 0 328.416 3.215 20 5 EGBDRO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)N(C)c1ccccc1 ZINC000411461815 308940088 /nfs/dbraw/zinc/94/00/88/308940088.db2.gz UBXQOJHOXSHJGW-KBPBESRZSA-N 1 0 327.384 3.297 20 5 EGBDRO C[C@H]1[C@@H](Nc2ncc([N+](=O)[O-])cc2F)CC[N@@H+]1Cc1ccccc1 ZINC000413291729 309025420 /nfs/dbraw/zinc/02/54/20/309025420.db2.gz CKVYZVYQQLIOBO-LRDDRELGSA-N 1 0 330.363 3.204 20 5 EGBDRO C[C@@]1(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCC[NH2+]C1 ZINC000414915245 309108980 /nfs/dbraw/zinc/10/89/80/309108980.db2.gz ZLIXRUUWSYIBFW-GOSISDBHSA-N 1 0 329.400 3.334 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000415580038 309137450 /nfs/dbraw/zinc/13/74/50/309137450.db2.gz LEAACJWWOQJSBR-HNNXBMFYSA-N 1 0 334.420 3.111 20 5 EGBDRO COc1ccc(NC(=O)C[C@H](c2ccccc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000416204052 309163569 /nfs/dbraw/zinc/16/35/69/309163569.db2.gz MXVJYGFADZWFRX-OAHLLOKOSA-N 1 0 343.383 3.235 20 5 EGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@H]2COCc3ccccc32)n1 ZINC000417359267 309202870 /nfs/dbraw/zinc/20/28/70/309202870.db2.gz IJPHBZVIKBBZCC-IXDOHACOSA-N 1 0 342.399 3.136 20 5 EGBDRO COc1cc(C[NH2+]C[C@@H]2CC23CC3)c([N+](=O)[O-])cc1OCC(F)F ZINC000418094232 309235270 /nfs/dbraw/zinc/23/52/70/309235270.db2.gz JVPIUUDELQKBSS-NSHDSACASA-N 1 0 342.342 3.137 20 5 EGBDRO Cc1cc(N2CC[NH2+]C[C@@](C)(F)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420265941 309278616 /nfs/dbraw/zinc/27/86/16/309278616.db2.gz QMSXPZKAXJGJQJ-CYBMUJFWSA-N 1 0 335.301 3.060 20 5 EGBDRO CCc1ccccc1[C@H]([NH3+])CNc1cc(OC)c([N+](=O)[O-])cc1F ZINC000420270412 309278839 /nfs/dbraw/zinc/27/88/39/309278839.db2.gz GRBUGFQNFRBPDF-CQSZACIVSA-N 1 0 333.363 3.417 20 5 EGBDRO C[NH+](C)C1CCC(Nc2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000420631137 309290969 /nfs/dbraw/zinc/29/09/69/309290969.db2.gz UTIDBUAGQAFRKQ-UHFFFAOYSA-N 1 0 343.225 3.037 20 5 EGBDRO CC[C@H]1C[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@H](CC)O1 ZINC000420960094 309304428 /nfs/dbraw/zinc/30/44/28/309304428.db2.gz RAUOFXHROFIBBS-HOTGVXAUSA-N 1 0 349.431 3.121 20 5 EGBDRO CON1CCC([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000421397782 309322965 /nfs/dbraw/zinc/32/29/65/309322965.db2.gz MZFCZWVVPGIEAF-UHFFFAOYSA-N 1 0 347.440 3.439 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000421771999 309339497 /nfs/dbraw/zinc/33/94/97/309339497.db2.gz FWCXHNNDWKZMRZ-HNNXBMFYSA-N 1 0 333.432 3.158 20 5 EGBDRO CCC[C@@H]([NH2+]C[C@@H]1CC(=O)N(CCC)C1)c1cccc([N+](=O)[O-])c1 ZINC000421879488 309344801 /nfs/dbraw/zinc/34/48/01/309344801.db2.gz NFDPPHUDUQKREA-WMLDXEAASA-N 1 0 333.432 3.284 20 5 EGBDRO CCCN1C[C@H](C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1=O ZINC000421891557 309345290 /nfs/dbraw/zinc/34/52/90/309345290.db2.gz VYKTWMRXJKYFSW-KBXCAEBGSA-N 1 0 345.443 3.210 20 5 EGBDRO [NH3+][C@H](CC1CCCCC1)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423855350 309416848 /nfs/dbraw/zinc/41/68/48/309416848.db2.gz WMWBEVGIGAYQQY-OAHLLOKOSA-N 1 0 339.823 3.162 20 5 EGBDRO CC(C)(c1nc(C2([NH3+])CCCCC2)no1)c1ccccc1[N+](=O)[O-] ZINC000424344148 309439702 /nfs/dbraw/zinc/43/97/02/309439702.db2.gz LCRKFBIKSSIBGN-UHFFFAOYSA-N 1 0 330.388 3.422 20 5 EGBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@]2(CO)C[C@@H]2c2ccc(F)cc2)cs1 ZINC000428545819 309554700 /nfs/dbraw/zinc/55/47/00/309554700.db2.gz LCXGBVCACAYOCR-GDBMZVCRSA-N 1 0 336.388 3.051 20 5 EGBDRO CC[NH+](CC)CCC[C@H](C)NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429837936 309591162 /nfs/dbraw/zinc/59/11/62/309591162.db2.gz GXRRZCLVCZULSX-HNNXBMFYSA-N 1 0 349.475 3.499 20 5 EGBDRO CCC[NH+]1CCC(NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000431666533 309639550 /nfs/dbraw/zinc/63/95/50/309639550.db2.gz KOGQKIDNCJORMZ-UHFFFAOYSA-N 1 0 348.447 3.004 20 5 EGBDRO CC1(C)C[C@@H]([NH2+][C@@H]2CCc3n[nH]cc3C2)c2cc([N+](=O)[O-])ccc21 ZINC000433222105 309682573 /nfs/dbraw/zinc/68/25/73/309682573.db2.gz SZIABIDOVBDAGZ-SJKOYZFVSA-N 1 0 326.400 3.187 20 5 EGBDRO Cc1cccc(CC[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000447538303 309981302 /nfs/dbraw/zinc/98/13/02/309981302.db2.gz BMYZWPCQNPYHSR-DLBZAZTESA-N 1 0 328.416 3.416 20 5 EGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCC(=O)Nc1ccccc1 ZINC000449136747 310039552 /nfs/dbraw/zinc/03/95/52/310039552.db2.gz CDLHLADRXYORAZ-CQSZACIVSA-N 1 0 327.384 3.144 20 5 EGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCc1ccc2c(c1)CCO2 ZINC000449140273 310039814 /nfs/dbraw/zinc/03/98/14/310039814.db2.gz INAZCTFGXOQUAH-AWEZNQCLSA-N 1 0 326.396 3.293 20 5 EGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](c1ccccc1)N(C)C ZINC000449254228 310047736 /nfs/dbraw/zinc/04/77/36/310047736.db2.gz WUUPJXVSVIJITR-DNVCBOLYSA-N 1 0 327.428 3.418 20 5 EGBDRO CCOC(=O)c1cc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)[nH]c1C ZINC000449276463 310049451 /nfs/dbraw/zinc/04/94/51/310049451.db2.gz BSWAZCNRGCQIMH-UHFFFAOYSA-N 1 0 331.372 3.006 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[N@@H+](C2CC2)C[C@@H](C)C1 ZINC000449344692 310055214 /nfs/dbraw/zinc/05/52/14/310055214.db2.gz DIUWMRJTJBJWIO-IZNAZMGOSA-N 1 0 329.444 3.414 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[N@@H+](C2CC2)C[C@H](C)C1 ZINC000449344691 310055364 /nfs/dbraw/zinc/05/53/64/310055364.db2.gz DIUWMRJTJBJWIO-DDITZMBXSA-N 1 0 329.444 3.414 20 5 EGBDRO CO[C@H](C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000449392999 310058493 /nfs/dbraw/zinc/05/84/93/310058493.db2.gz LJFMLCBRIMQQMG-VTSXBNNFSA-N 1 0 326.396 3.455 20 5 EGBDRO COC(=O)c1ccc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)o1 ZINC000449506595 310067876 /nfs/dbraw/zinc/06/78/76/310067876.db2.gz ZDFKIDFTGMQPLB-AWEZNQCLSA-N 1 0 344.367 3.354 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]([C@@H](CO)C1CC1)C1CC1 ZINC000449513218 310068304 /nfs/dbraw/zinc/06/83/04/310068304.db2.gz VLUKQLKQHBAMFP-RBAMYAFPSA-N 1 0 330.428 3.385 20 5 EGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]([C@@H](CO)C1CC1)C1CC1 ZINC000449513430 310068379 /nfs/dbraw/zinc/06/83/79/310068379.db2.gz VXKZBGMESITHCO-XVGQJIODSA-N 1 0 332.444 3.303 20 5 EGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCO[C@H](c2cccnc2)C1 ZINC000449540432 310070319 /nfs/dbraw/zinc/07/03/19/310070319.db2.gz XTMSMIASGMHTMZ-LJHODMEESA-N 1 0 341.411 3.431 20 5 EGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCO[C@@H](c2ccncc2)C1 ZINC000449548399 310070537 /nfs/dbraw/zinc/07/05/37/310070537.db2.gz MZWAHODMODRQPN-LSBZLQRGSA-N 1 0 341.411 3.431 20 5 EGBDRO CC(C)(C)O[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)[C@H]1n1cccn1 ZINC000449656675 310078012 /nfs/dbraw/zinc/07/80/12/310078012.db2.gz LWFABHMQKIJBBA-GVDBMIGSSA-N 1 0 344.415 3.078 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CC[C@@H](CCCO)C2)o1 ZINC000449787878 310087466 /nfs/dbraw/zinc/08/74/66/310087466.db2.gz CABKZSMPBGXUNG-CQSZACIVSA-N 1 0 330.384 3.449 20 5 EGBDRO C[C@@H]1C[N@@H+](CCCNc2nccc3cc([N+](=O)[O-])ccc32)C[C@H](C)O1 ZINC000450241469 310110656 /nfs/dbraw/zinc/11/06/56/310110656.db2.gz JCWSJXGQFSGHAN-OKILXGFUSA-N 1 0 344.415 3.054 20 5 EGBDRO O=[N+]([O-])c1cccc2c1ccnc2N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000450258749 310111594 /nfs/dbraw/zinc/11/15/94/310111594.db2.gz BZELSAUTBMMJSE-AWEZNQCLSA-N 1 0 326.400 3.208 20 5 EGBDRO CC[N@H+](C)C[C@@H]1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)C1 ZINC000450364914 310118117 /nfs/dbraw/zinc/11/81/17/310118117.db2.gz ZOTFOEFYNOCCIK-ZDUSSCGKSA-N 1 0 346.456 3.496 20 5 EGBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(c2nccc3c2cccc3[N+](=O)[O-])C[C@@H](C)C1 ZINC000450542815 310129107 /nfs/dbraw/zinc/12/91/07/310129107.db2.gz VOAJQADHNKATPS-SUNYJGFJSA-N 1 0 340.427 3.310 20 5 EGBDRO Cc1ccc(C)c(OC[C@@H](O)C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000451097404 310160379 /nfs/dbraw/zinc/16/03/79/310160379.db2.gz DRAWINVTNJDBDB-YJBOKZPZSA-N 1 0 344.411 3.302 20 5 EGBDRO C[C@H]([NH2+]CC(=O)N(C)C1CCC(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000451099179 310160523 /nfs/dbraw/zinc/16/05/23/310160523.db2.gz KNOMNPKLFUUWKD-BBBYJDLNSA-N 1 0 333.432 3.283 20 5 EGBDRO CCc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000451101908 310160761 /nfs/dbraw/zinc/16/07/61/310160761.db2.gz AQYKLWIBOYEDME-ZDUSSCGKSA-N 1 0 327.384 3.447 20 5 EGBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H]2CCC23CCCC3)c([N+](=O)[O-])c1 ZINC000451451706 310179132 /nfs/dbraw/zinc/17/91/32/310179132.db2.gz BFRMBBRLWVKBIL-LRDDRELGSA-N 1 0 347.415 3.243 20 5 EGBDRO CCO[C@@H]1CC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H]1C ZINC000451545516 310184795 /nfs/dbraw/zinc/18/47/95/310184795.db2.gz RENIXRKYWUIRQH-SUMWQHHRSA-N 1 0 345.399 3.497 20 5 EGBDRO C[C@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451549212 310185422 /nfs/dbraw/zinc/18/54/22/310185422.db2.gz PEJIBUSZAQBODJ-RDJZCZTQSA-N 1 0 345.443 3.175 20 5 EGBDRO CO[C@@H]1CC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H]1C ZINC000451579783 310187707 /nfs/dbraw/zinc/18/77/07/310187707.db2.gz YYUGYCUIOLRMIB-BLLLJJGKSA-N 1 0 331.372 3.107 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC[C@@]2(CCSC2)C1 ZINC000451971617 310206030 /nfs/dbraw/zinc/20/60/30/310206030.db2.gz MBACVFRGQPRSHD-QGZVFWFLSA-N 1 0 349.456 3.061 20 5 EGBDRO CC(C)(C)C[C@@H]1CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000452074596 310210403 /nfs/dbraw/zinc/21/04/03/310210403.db2.gz HGSNBNKQSOUXIC-LSDHHAIUSA-N 1 0 336.432 3.093 20 5 EGBDRO CC(C)[C@H](C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)[NH+]1CCCCC1 ZINC000452577171 310232875 /nfs/dbraw/zinc/23/28/75/310232875.db2.gz WWZBXOBEHJTISP-WMLDXEAASA-N 1 0 333.432 3.283 20 5 EGBDRO CCC[C@H]([NH2+]C(C)C)C(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452857451 310246002 /nfs/dbraw/zinc/24/60/02/310246002.db2.gz QROQYNNTPAVCIM-AEFFLSMTSA-N 1 0 347.459 3.468 20 5 EGBDRO C[C@@H](Cc1cnn(C)c1)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000453342433 310272077 /nfs/dbraw/zinc/27/20/77/310272077.db2.gz LXMWMBLAUBVXKE-YVEFUNNKSA-N 1 0 328.416 3.272 20 5 EGBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCO[C@H](c3nccn3C)C2)cccc1[N+](=O)[O-] ZINC000453392350 310274445 /nfs/dbraw/zinc/27/44/45/310274445.db2.gz HWZOHDAHRCKWDB-VBQJREDUSA-N 1 0 344.415 3.208 20 5 EGBDRO CC[C@H]([NH2+][C@H]1CCO[C@@H](c2nccn2C)C1)c1cccc([N+](=O)[O-])c1 ZINC000453416876 310275960 /nfs/dbraw/zinc/27/59/60/310275960.db2.gz ZMAJAYCFLXTQGM-BHYGNILZSA-N 1 0 344.415 3.289 20 5 EGBDRO Cc1ccc(C[C@@H](CO)[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])cc1C ZINC000453627695 310285441 /nfs/dbraw/zinc/28/54/41/310285441.db2.gz MKZVTJQGHUBEQE-WPGJWXSHSA-N 1 0 340.423 3.418 20 5 EGBDRO CON1CCC([N@H+](C)Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000453626505 310285450 /nfs/dbraw/zinc/28/54/50/310285450.db2.gz SVBYQYSCYGCGRP-UHFFFAOYSA-N 1 0 345.399 3.312 20 5 EGBDRO C[C@H](NC(=O)NCC1(C[NH+](C)C)CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000454880718 310333832 /nfs/dbraw/zinc/33/38/32/310333832.db2.gz TWFIQLDAZQSUFL-AWEZNQCLSA-N 1 0 348.447 3.077 20 5 EGBDRO CC[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1NC(C)C)[NH+](CC)CC ZINC000456170232 310391774 /nfs/dbraw/zinc/39/17/74/310391774.db2.gz BTFJWYYNTXKZRX-INIZCTEOSA-N 1 0 336.436 3.474 20 5 EGBDRO CCO[C@@H]1C[C@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])[C@H]1SC ZINC000459467367 310554683 /nfs/dbraw/zinc/55/46/83/310554683.db2.gz RVPZLHNUUAITLF-NWANDNLSSA-N 1 0 344.864 3.289 20 5 EGBDRO COc1ccc(NC(=O)C[NH2+][C@]2(C)CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000459623891 310564984 /nfs/dbraw/zinc/56/49/84/310564984.db2.gz ZPVZPWVZUQZEED-SJKOYZFVSA-N 1 0 335.404 3.100 20 5 EGBDRO COc1ccc(C[NH2+]CCCc2ccc3c(c2)CCO3)cc1[N+](=O)[O-] ZINC000482227164 310928649 /nfs/dbraw/zinc/92/86/49/310928649.db2.gz BNPFWSOLAPJODO-UHFFFAOYSA-N 1 0 342.395 3.261 20 5 EGBDRO CCOc1cc(NCC2([NH+]3CCCC3)CCOCC2)ccc1[N+](=O)[O-] ZINC000486967647 311004651 /nfs/dbraw/zinc/00/46/51/311004651.db2.gz LLGBIUQLDUFHKA-UHFFFAOYSA-N 1 0 349.431 3.050 20 5 EGBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000487462740 311024752 /nfs/dbraw/zinc/02/47/52/311024752.db2.gz PLEQDSXLALFABU-LSDHHAIUSA-N 1 0 347.459 3.495 20 5 EGBDRO C[N@@H+]1CC[C@@]2(CCN(c3ccc([N+](=O)[O-])c(OC(C)(C)C)c3)C2)C1 ZINC000488740503 311077638 /nfs/dbraw/zinc/07/76/38/311077638.db2.gz ZHUZVQCREUXDDP-GOSISDBHSA-N 1 0 333.432 3.304 20 5 EGBDRO Cc1ccc(C[NH2+][C@H]2CCN(c3ccccc3F)C2)cc1[N+](=O)[O-] ZINC000492133134 311219637 /nfs/dbraw/zinc/21/96/37/311219637.db2.gz RAYBCVSQMJXGOG-HNNXBMFYSA-N 1 0 329.375 3.411 20 5 EGBDRO Cc1ccc([C@@H](CNC(=O)c2cc(C)cc([N+](=O)[O-])c2)[NH+](C)C)cc1 ZINC000499134143 311900173 /nfs/dbraw/zinc/90/01/73/311900173.db2.gz LBPPANYTCMJUTC-GOSISDBHSA-N 1 0 341.411 3.244 20 5 EGBDRO CCc1ccc([C@@H]2CCC[N@H+](CCn3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000513382626 312208429 /nfs/dbraw/zinc/20/84/29/312208429.db2.gz YBGIXMRXCDDQSC-QGZVFWFLSA-N 1 0 328.416 3.233 20 5 EGBDRO CCC1CCC([N@H+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000514099041 312225078 /nfs/dbraw/zinc/22/50/78/312225078.db2.gz LGMBKRTZMQXQRN-UHFFFAOYSA-N 1 0 345.443 3.385 20 5 EGBDRO Cc1ccc(C[C@H](CO)[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])cc1C ZINC000514799729 312246415 /nfs/dbraw/zinc/24/64/15/312246415.db2.gz XRUKPYTXYOPADS-APWZRJJASA-N 1 0 340.423 3.392 20 5 EGBDRO CCC(CC)[C@H](CNc1ccc([N+](=O)[O-])c(C)c1)[NH+]1CCOCC1 ZINC000515541530 312288216 /nfs/dbraw/zinc/28/82/16/312288216.db2.gz XQOUBVCAMKRNNT-SFHVURJKSA-N 1 0 335.448 3.452 20 5 EGBDRO C[C@@H](C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000519798362 312479394 /nfs/dbraw/zinc/47/93/94/312479394.db2.gz SGVGWEGFLIUXEW-NVXWUHKLSA-N 1 0 345.443 3.175 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CCc2nc(C)ncc2C1 ZINC000532202763 313768612 /nfs/dbraw/zinc/76/86/12/313768612.db2.gz YDRVHRQJFOBGKD-DOMZBBRYSA-N 1 0 326.400 3.210 20 5 EGBDRO O=[N+]([O-])c1ccccc1OCC[NH2+]C1(c2ccccc2)CCOCC1 ZINC000533382641 313901238 /nfs/dbraw/zinc/90/12/38/313901238.db2.gz YWRMWPYPHOVILE-UHFFFAOYSA-N 1 0 342.395 3.269 20 5 EGBDRO COc1cc(NC[C@H](Cc2ccccc2)[NH+](C)C)c(F)cc1[N+](=O)[O-] ZINC000534917518 314006311 /nfs/dbraw/zinc/00/63/11/314006311.db2.gz WAZWLUQUKURRHX-AWEZNQCLSA-N 1 0 347.390 3.327 20 5 EGBDRO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)COC2 ZINC000536856832 314150848 /nfs/dbraw/zinc/15/08/48/314150848.db2.gz GHXOCTLBSMDUJX-CYBMUJFWSA-N 1 0 328.368 3.355 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000539840495 314344741 /nfs/dbraw/zinc/34/47/41/314344741.db2.gz AIWMGEPVYVLBMF-HNNXBMFYSA-N 1 0 347.459 3.370 20 5 EGBDRO COc1ccc(OCC[NH2+][C@H](C)c2cnn(C(C)C)c2)c([N+](=O)[O-])c1 ZINC000541645984 314477574 /nfs/dbraw/zinc/47/75/74/314477574.db2.gz RRABTSZAIKZPLJ-CYBMUJFWSA-N 1 0 348.403 3.110 20 5 EGBDRO O=[N+]([O-])c1cnc(NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)nc1 ZINC000546189403 314815993 /nfs/dbraw/zinc/81/59/93/314815993.db2.gz DZGFTDAOGOWOIU-HNNXBMFYSA-N 1 0 347.806 3.287 20 5 EGBDRO Cc1ccccc1C(C)(C)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000549867769 315108358 /nfs/dbraw/zinc/10/83/58/315108358.db2.gz FMAAFLRLIQYNDW-HNNXBMFYSA-N 1 0 344.411 3.168 20 5 EGBDRO CCC[C@@H](C)C(=O)NCC[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000552072110 315195407 /nfs/dbraw/zinc/19/54/07/315195407.db2.gz VVRFGGXBWFTOMQ-QKXCFHHRSA-N 1 0 333.432 3.140 20 5 EGBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000553009243 315241172 /nfs/dbraw/zinc/24/11/72/315241172.db2.gz IJJXAPUFTSPTPP-UHFFFAOYSA-N 1 0 349.431 3.000 20 5 EGBDRO C[C@H](C(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])[NH+]1CCCCCC1 ZINC000553725321 315278939 /nfs/dbraw/zinc/27/89/39/315278939.db2.gz RJDVCLCZYWORAR-CQSZACIVSA-N 1 0 333.432 3.211 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCO[C@@H]1C1CC1 ZINC000557274096 315505005 /nfs/dbraw/zinc/50/50/05/315505005.db2.gz SBXVPFRABHRKER-PCODUJHASA-N 1 0 330.428 3.463 20 5 EGBDRO C[C@@H]1CCC[C@@]1(O)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000561057530 315737628 /nfs/dbraw/zinc/73/76/28/315737628.db2.gz JVUVFFGGXSRXFZ-FZKQIMNGSA-N 1 0 330.384 3.496 20 5 EGBDRO C[C@H](C(=O)NCC(C)(C)[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000562387010 315827342 /nfs/dbraw/zinc/82/73/42/315827342.db2.gz GOGJNWMUQYVGDX-AWEZNQCLSA-N 1 0 333.432 3.079 20 5 EGBDRO C[N@@H+]1CCC[C@H](CN[C@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)C1 ZINC000563721555 316061024 /nfs/dbraw/zinc/06/10/24/316061024.db2.gz FVRCGCYCOZXFTC-BXUZGUMPSA-N 1 0 331.338 3.130 20 5 EGBDRO O=C(CC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])NC1CCCCC1 ZINC000564740772 316197576 /nfs/dbraw/zinc/19/75/76/316197576.db2.gz OQFYVDXEHMOOMS-INIZCTEOSA-N 1 0 331.416 3.011 20 5 EGBDRO O=C(CC[NH2+][C@@H]1CCc2ccc(F)cc21)Nc1ccccc1[N+](=O)[O-] ZINC000568741550 316816371 /nfs/dbraw/zinc/81/63/71/316816371.db2.gz XOEUDQBDVFMTKU-OAHLLOKOSA-N 1 0 343.358 3.340 20 5 EGBDRO Cc1cc(N2CC[C@]3(C2)CCC[N@@H+](C)C3)c2cccc([N+](=O)[O-])c2n1 ZINC000571179847 317162967 /nfs/dbraw/zinc/16/29/67/317162967.db2.gz HEWOVBVDGRQVDL-LJQANCHMSA-N 1 0 340.427 3.374 20 5 EGBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000572557921 317355311 /nfs/dbraw/zinc/35/53/11/317355311.db2.gz NBPNUDGFRIRUAW-SFHVURJKSA-N 1 0 345.443 3.051 20 5 EGBDRO Cc1nc(N2CCN(c3cc[nH+]c4ccccc43)CC2)ccc1[N+](=O)[O-] ZINC000574993875 317660557 /nfs/dbraw/zinc/66/05/57/317660557.db2.gz DXWLXYSWGABVBG-UHFFFAOYSA-N 1 0 349.394 3.173 20 5 EGBDRO C[C@H]([NH2+]CC(=O)NCCC1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000180446716 323440336 /nfs/dbraw/zinc/44/03/36/323440336.db2.gz BPVGZHZUOJRBJU-AWEZNQCLSA-N 1 0 333.432 3.332 20 5 EGBDRO CC(C)(C)[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1F ZINC000181614123 323493556 /nfs/dbraw/zinc/49/35/56/323493556.db2.gz RUZUWJFESITNHY-OAHLLOKOSA-N 1 0 338.358 3.447 20 5 EGBDRO CCOc1cccc2cc([C@@H](C)[NH2+]CCn3ccc([N+](=O)[O-])n3)oc21 ZINC000182652069 323566369 /nfs/dbraw/zinc/56/63/69/323566369.db2.gz VKYUCJWMHSJZNO-GFCCVEGCSA-N 1 0 344.371 3.287 20 5 EGBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC[C@@H]1C[NH+](C)C ZINC000184756743 323675300 /nfs/dbraw/zinc/67/53/00/323675300.db2.gz NHZWUVIORSEYOT-SJLPKXTDSA-N 1 0 347.459 3.106 20 5 EGBDRO Cc1cccc(CN(CC[NH+](C)C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000578680169 325002993 /nfs/dbraw/zinc/00/29/93/325002993.db2.gz GCCHGQDCUPOUOY-UHFFFAOYSA-N 1 0 327.428 3.467 20 5 EGBDRO CC(C)(C)CCCC[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000579700592 325147685 /nfs/dbraw/zinc/14/76/85/325147685.db2.gz FBVSRHLQFRZUEY-UHFFFAOYSA-N 1 0 342.461 3.175 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]C[C@H](O)CCc1ccccc1 ZINC000579944990 325180354 /nfs/dbraw/zinc/18/03/54/325180354.db2.gz YJUNZYSHOGCZSJ-QGZVFWFLSA-N 1 0 348.830 3.374 20 5 EGBDRO C[C@@H](C(=O)NCCC[NH2+]C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000581181458 325338614 /nfs/dbraw/zinc/33/86/14/325338614.db2.gz DVCMRZUHKJLEJL-CQSZACIVSA-N 1 0 333.432 3.127 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CCOCC(F)(F)C(F)F ZINC000277537500 456855486 /nfs/dbraw/zinc/85/54/86/456855486.db2.gz WIAWLWFVOSMCJM-HWKANZROSA-N 1 0 336.285 3.115 20 5 EGBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000173010523 455219377 /nfs/dbraw/zinc/21/93/77/455219377.db2.gz TZTMOZUUFOSSTJ-SNVBAGLBSA-N 1 0 347.337 3.074 20 5 EGBDRO CSc1ccc(C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000264613223 455247983 /nfs/dbraw/zinc/24/79/83/455247983.db2.gz PZFKLZSAKGMXQX-CQSZACIVSA-N 1 0 349.456 3.017 20 5 EGBDRO CC(C)(O)C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C1CC1 ZINC000189995425 455269420 /nfs/dbraw/zinc/26/94/20/455269420.db2.gz OJCWMGFWOCWJHC-UHFFFAOYSA-N 1 0 345.399 3.028 20 5 EGBDRO Cc1c(NC(=O)[C@H](C)[N@H+](C)CCc2cccs2)cccc1[N+](=O)[O-] ZINC000173756099 455332465 /nfs/dbraw/zinc/33/24/65/455332465.db2.gz SYLJFLBIBLAPEG-ZDUSSCGKSA-N 1 0 347.440 3.466 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158961743 455341168 /nfs/dbraw/zinc/34/11/68/455341168.db2.gz XRPMQAXQOVAWDM-QAPCUYQASA-N 1 0 347.459 3.298 20 5 EGBDRO C[NH+](C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000010017786 453272416 /nfs/dbraw/zinc/27/24/16/453272416.db2.gz OUTCHVBMNDKKTD-INIZCTEOSA-N 1 0 347.802 3.281 20 5 EGBDRO COC(=O)c1ccc(-c2cccc([C@@H]3CCC[NH2+]3)c2)c([N+](=O)[O-])c1 ZINC000600786142 460602848 /nfs/dbraw/zinc/60/28/48/460602848.db2.gz NSPKQWHADKFZHP-INIZCTEOSA-N 1 0 326.352 3.473 20 5 EGBDRO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1 ZINC000015131489 453558249 /nfs/dbraw/zinc/55/82/49/453558249.db2.gz IELPIFXCSQAYLJ-INIZCTEOSA-N 1 0 330.344 3.218 20 5 EGBDRO COc1ccc([C@@H](CNc2ncccc2[N+](=O)[O-])[NH+]2CCCC2)cc1 ZINC000015168827 453560287 /nfs/dbraw/zinc/56/02/87/453560287.db2.gz CDKLFXWDWWPSEN-QGZVFWFLSA-N 1 0 342.399 3.247 20 5 EGBDRO Cc1ccccc1C[N@@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000016585864 453613119 /nfs/dbraw/zinc/61/31/19/453613119.db2.gz JUDXUERNFBWNNK-CQSZACIVSA-N 1 0 327.384 3.362 20 5 EGBDRO CC[N@@H+]1CCC[C@H]1CNc1ccc(Br)cc1[N+](=O)[O-] ZINC000020554394 453667157 /nfs/dbraw/zinc/66/71/57/453667157.db2.gz KTVSOWHQTBZWAM-NSHDSACASA-N 1 0 328.210 3.254 20 5 EGBDRO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000023738319 453716208 /nfs/dbraw/zinc/71/62/08/453716208.db2.gz RFBNMOYBLTYIHA-SFHVURJKSA-N 1 0 339.395 3.162 20 5 EGBDRO O=C(Nc1ccccc1)[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000025932254 453790132 /nfs/dbraw/zinc/79/01/32/453790132.db2.gz WKLUMORWZXOQIL-MRXNPFEDSA-N 1 0 339.395 3.446 20 5 EGBDRO CC(C)[C@@H](CNc1ncccc1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000026727767 453804824 /nfs/dbraw/zinc/80/48/24/453804824.db2.gz STLVYXWBSXMYEE-GOSISDBHSA-N 1 0 340.427 3.485 20 5 EGBDRO CNc1ccc(C(=O)NCCC[N@H+](C)C2CCCCC2)cc1[N+](=O)[O-] ZINC000031144686 453840055 /nfs/dbraw/zinc/84/00/55/453840055.db2.gz ZRSMPQVDKLMKCF-UHFFFAOYSA-N 1 0 348.447 3.021 20 5 EGBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000081335057 453862278 /nfs/dbraw/zinc/86/22/78/453862278.db2.gz OUHKKEWAZJYZTR-LBPRGKRZSA-N 1 0 339.823 3.052 20 5 EGBDRO NC(=O)c1ccc(C[N@H+](CC2CCCCC2)C2CC2)c([N+](=O)[O-])c1 ZINC000053360435 453873321 /nfs/dbraw/zinc/87/33/21/453873321.db2.gz YWSWPFCIQIKPMY-UHFFFAOYSA-N 1 0 331.416 3.238 20 5 EGBDRO CCC[N@H+](C)C[C@H]1CCN(Cc2cc([N+](=O)[O-])ccc2OCC)C1 ZINC000081516291 453881420 /nfs/dbraw/zinc/88/14/20/453881420.db2.gz JVMIFZDSRSLPIA-OAHLLOKOSA-N 1 0 335.448 3.157 20 5 EGBDRO CC[NH+](CC)[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(C)c1)c1ccco1 ZINC000067276692 453917362 /nfs/dbraw/zinc/91/73/62/453917362.db2.gz HCPRZSVJGYDWIX-MRXNPFEDSA-N 1 0 345.399 3.309 20 5 EGBDRO C[C@@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])CC[C@H]1NC(=O)OC(C)(C)C ZINC000265809167 455385388 /nfs/dbraw/zinc/38/53/88/455385388.db2.gz DYJSFPSXBFKSDY-UKRRQHHQSA-N 1 0 349.431 3.330 20 5 EGBDRO COc1ccc(C[N@@H+]2CCCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000054370317 453926367 /nfs/dbraw/zinc/92/63/67/453926367.db2.gz NHYKQXSTWLITQA-UHFFFAOYSA-N 1 0 341.411 3.316 20 5 EGBDRO O=[N+]([O-])c1cccnc1NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000067384749 453927739 /nfs/dbraw/zinc/92/77/39/453927739.db2.gz GKEREFTUIGPKBU-MRXNPFEDSA-N 1 0 326.400 3.314 20 5 EGBDRO Cc1ccc(NC(=O)NCc2ccc(C[NH+](C)C)cc2)cc1[N+](=O)[O-] ZINC000075954866 453941688 /nfs/dbraw/zinc/94/16/88/453941688.db2.gz HHNTUVJJMQEJNZ-UHFFFAOYSA-N 1 0 342.399 3.287 20 5 EGBDRO CO[C@]1(C)C[C@@H]([N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)C1(C)C ZINC000083216347 453944504 /nfs/dbraw/zinc/94/45/04/453944504.db2.gz SSUZIJAILMWOJY-RHSMWYFYSA-N 1 0 333.388 3.371 20 5 EGBDRO CC(C)[N@H+](C)CCCNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000041318874 453962437 /nfs/dbraw/zinc/96/24/37/453962437.db2.gz BRHSQNXDBWMODS-UHFFFAOYSA-N 1 0 335.429 3.270 20 5 EGBDRO COc1ccc(NC(=O)CC[N@H+](C)Cc2cccs2)c([N+](=O)[O-])c1 ZINC000041887678 453983090 /nfs/dbraw/zinc/98/30/90/453983090.db2.gz PWRVYMVQFMTLKV-UHFFFAOYSA-N 1 0 349.412 3.126 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@H]1C1CCCC1 ZINC000067978348 453985682 /nfs/dbraw/zinc/98/56/82/453985682.db2.gz WOMOSQIRDLYGEA-HNNXBMFYSA-N 1 0 331.416 3.496 20 5 EGBDRO COc1ccc(C[N@@H+]2CC[C@H](Nc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000076757674 454033939 /nfs/dbraw/zinc/03/39/39/454033939.db2.gz ANVCNXKEIRWOER-INIZCTEOSA-N 1 0 327.384 3.290 20 5 EGBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000043109138 454041974 /nfs/dbraw/zinc/04/19/74/454041974.db2.gz HDQVBHKMIKMDSH-UHFFFAOYSA-N 1 0 348.447 3.001 20 5 EGBDRO C[C@H](NC(=O)NCC(C)(C)[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000056371841 454054890 /nfs/dbraw/zinc/05/48/90/454054890.db2.gz IWXJPSXSZREIAD-AWEZNQCLSA-N 1 0 348.447 3.220 20 5 EGBDRO COc1cccc([C@@H](CNc2ccc(F)cc2[N+](=O)[O-])[NH+](C)C)c1 ZINC000068836662 454058918 /nfs/dbraw/zinc/05/89/18/454058918.db2.gz PDIWRDYSFSPLDD-QGZVFWFLSA-N 1 0 333.363 3.457 20 5 EGBDRO C[NH+](C)[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1 ZINC000043467435 454062924 /nfs/dbraw/zinc/06/29/24/454062924.db2.gz CEVTUWPKGRQIHF-MRXNPFEDSA-N 1 0 346.362 3.158 20 5 EGBDRO O=[N+]([O-])c1ccc(OCCCN2CCC[C@H]2C[NH+]2CCCCC2)cc1 ZINC000069031072 454073475 /nfs/dbraw/zinc/07/34/75/454073475.db2.gz ROXRJEZANFWDJE-SFHVURJKSA-N 1 0 347.459 3.314 20 5 EGBDRO Cc1nc2c(s1)[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)CCC2 ZINC000089580697 454162979 /nfs/dbraw/zinc/16/29/79/454162979.db2.gz NTRZUZPWZNZZEI-CQSZACIVSA-N 1 0 333.413 3.406 20 5 EGBDRO COc1ccc([C@@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000089580661 454163106 /nfs/dbraw/zinc/16/31/06/454163106.db2.gz SZCGWAYGXPMXLD-CYBMUJFWSA-N 1 0 346.383 3.342 20 5 EGBDRO CC[C@H](NC(=O)C[C@H]([NH3+])c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000119357998 454189705 /nfs/dbraw/zinc/18/97/05/454189705.db2.gz GRIOOXCXAVYUTQ-IRXDYDNUSA-N 1 0 327.384 3.252 20 5 EGBDRO Cc1cc(Br)cc([N+](=O)[O-])c1OCC1CC[NH2+]CC1 ZINC000094296448 454191773 /nfs/dbraw/zinc/19/17/73/454191773.db2.gz HQYKAAAZZIRQBO-UHFFFAOYSA-N 1 0 329.194 3.044 20 5 EGBDRO O=[N+]([O-])c1cccc(Cl)c1CN1CCCN(CC(F)F)CC1 ZINC000119594679 454206515 /nfs/dbraw/zinc/20/65/15/454206515.db2.gz PZNNNGAPOMVDLW-UHFFFAOYSA-N 1 0 333.766 3.021 20 5 EGBDRO CC[C@@H](C)[N@H+](Cc1ccccc1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000078252161 454217409 /nfs/dbraw/zinc/21/74/09/454217409.db2.gz IXCGPXYLUIISBD-CQSZACIVSA-N 1 0 341.411 3.494 20 5 EGBDRO Cc1cc(N2CCC(n3ccnc3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000096008440 454261022 /nfs/dbraw/zinc/26/10/22/454261022.db2.gz HZSKNRQZHWLKGC-UHFFFAOYSA-N 1 0 337.383 3.489 20 5 EGBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+](CC2CCCCC2)C2CC2)c1 ZINC000071950409 454260958 /nfs/dbraw/zinc/26/09/58/454260958.db2.gz ZOQIAQGYCXLQAY-SFHVURJKSA-N 1 0 348.443 3.379 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCCC1CC[NH+](C)CC1 ZINC000120253238 454278434 /nfs/dbraw/zinc/27/84/34/454278434.db2.gz LFWKVDRRTZFMRJ-UHFFFAOYSA-N 1 0 334.420 3.065 20 5 EGBDRO CC[N@H+](C)C[C@H]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000078583462 454280443 /nfs/dbraw/zinc/28/04/43/454280443.db2.gz TUUWRUPMGKQPDM-LLVKDONJSA-N 1 0 331.338 3.392 20 5 EGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc([S@](C)=O)cc1 ZINC000090220809 454294216 /nfs/dbraw/zinc/29/42/16/454294216.db2.gz HGULBIWRRRBXEK-JBEBIEQOSA-N 1 0 346.452 3.443 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCN(C3CCCCC3)C2=O)cc1[N+](=O)[O-] ZINC000090464007 454309674 /nfs/dbraw/zinc/30/96/74/454309674.db2.gz CXYZDLMRZJQOJH-RHSMWYFYSA-N 1 0 345.443 3.487 20 5 EGBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCCCC[C@H]1c1ccccc1 ZINC000090518094 454314861 /nfs/dbraw/zinc/31/48/61/454314861.db2.gz VHFRQRWKEXJKBU-SFHVURJKSA-N 1 0 341.411 3.374 20 5 EGBDRO CCOc1ccc(NC(=O)C[N@@H+]2C[C@H](C)C[C@@H]2CC)c([N+](=O)[O-])c1 ZINC000072697927 454329181 /nfs/dbraw/zinc/32/91/81/454329181.db2.gz MCVCBTDHZWUNHQ-OLZOCXBDSA-N 1 0 335.404 3.052 20 5 EGBDRO CNc1ccc(C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000047188215 454337917 /nfs/dbraw/zinc/33/79/17/454337917.db2.gz WJFJTHUGNBMDIV-AWEZNQCLSA-N 1 0 348.447 3.021 20 5 EGBDRO CC[NH+](CC)CCN(Cc1cccs1)c1ccc([N+](=O)[O-])cn1 ZINC000079098975 454368638 /nfs/dbraw/zinc/36/86/38/454368638.db2.gz LTZGYINJSWNIPX-UHFFFAOYSA-N 1 0 334.445 3.400 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCCC[NH2+]C1CCCCC1 ZINC000079116372 454370780 /nfs/dbraw/zinc/37/07/80/454370780.db2.gz BBPAVTJIFLNTMF-UHFFFAOYSA-N 1 0 334.420 3.337 20 5 EGBDRO CC[C@H](CSC)[N@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000091098151 454383241 /nfs/dbraw/zinc/38/32/41/454383241.db2.gz PRUWRTPZOQGNAP-GFCCVEGCSA-N 1 0 336.417 3.218 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000063582798 454425762 /nfs/dbraw/zinc/42/57/62/454425762.db2.gz MRUGDBBAYWVKFE-SCLBCKFNSA-N 1 0 333.432 3.144 20 5 EGBDRO O=[N+]([O-])c1cccnc1NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000064550815 454490674 /nfs/dbraw/zinc/49/06/74/454490674.db2.gz RRZIQKGRIHOQAB-CYBMUJFWSA-N 1 0 332.429 3.375 20 5 EGBDRO Cc1c(C(=O)N2CCC[C@@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)cccc1[N+](=O)[O-] ZINC000064726125 454501056 /nfs/dbraw/zinc/50/10/56/454501056.db2.gz KIESCOYSXOSQLL-IJEWVQPXSA-N 1 0 345.443 3.381 20 5 EGBDRO COc1ccc(OCC[N@H+](C)[C@H](C)c2ccncc2)c([N+](=O)[O-])c1 ZINC000091989466 454501132 /nfs/dbraw/zinc/50/11/32/454501132.db2.gz HLPNIPHSRZTRKR-CYBMUJFWSA-N 1 0 331.372 3.070 20 5 EGBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000064735991 454501542 /nfs/dbraw/zinc/50/15/42/454501542.db2.gz POYJDMIYOOCVFF-VNHYZAJKSA-N 1 0 349.406 3.211 20 5 EGBDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000134229130 454518601 /nfs/dbraw/zinc/51/86/01/454518601.db2.gz ZAIXFSZHVHPWMB-AWEZNQCLSA-N 1 0 337.395 3.118 20 5 EGBDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000065142446 454532337 /nfs/dbraw/zinc/53/23/37/454532337.db2.gz WJNUBIIXXNMHRP-ZIAGYGMSSA-N 1 0 333.432 3.081 20 5 EGBDRO Cc1cccc(C(=O)N2CC[NH+](CC3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000050008784 454569386 /nfs/dbraw/zinc/56/93/86/454569386.db2.gz KITQLIOFTDPJDW-UHFFFAOYSA-N 1 0 345.443 3.241 20 5 EGBDRO CCC[N@@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000092621855 454595503 /nfs/dbraw/zinc/59/55/03/454595503.db2.gz DYIDSFJRLHENQC-NSHDSACASA-N 1 0 329.347 3.340 20 5 EGBDRO CCN(Cc1ccc(C[NH+](C)C)cc1)c1cc(C)c([N+](=O)[O-])cn1 ZINC000080600697 454604370 /nfs/dbraw/zinc/60/43/70/454604370.db2.gz QSQHOURKIGNVKH-UHFFFAOYSA-N 1 0 328.416 3.386 20 5 EGBDRO CC[NH+](CC)[C@H](C(=O)NCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000104870356 454608911 /nfs/dbraw/zinc/60/89/11/454608911.db2.gz YSEMHMWPPGXXAK-SFHVURJKSA-N 1 0 341.411 3.294 20 5 EGBDRO CCCCNC(=O)[C@H]1CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000092710174 454614936 /nfs/dbraw/zinc/61/49/36/454614936.db2.gz VASRVGQDSKBUDJ-NADMHLTPSA-N 1 0 345.443 3.236 20 5 EGBDRO Cc1cc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)ncc1[N+](=O)[O-] ZINC000074747607 454629309 /nfs/dbraw/zinc/62/93/09/454629309.db2.gz TYSLDRNFXUPJNR-INIZCTEOSA-N 1 0 332.448 3.391 20 5 EGBDRO C[NH+](C)[C@H](CNc1nc2sccn2c1[N+](=O)[O-])c1ccc(F)cc1 ZINC000052486067 454676941 /nfs/dbraw/zinc/67/69/41/454676941.db2.gz WGBLFRBGGCIOLP-GFCCVEGCSA-N 1 0 349.391 3.158 20 5 EGBDRO CCOc1ccc([C@H](C)NC[C@@H](C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000153037749 454755306 /nfs/dbraw/zinc/75/53/06/454755306.db2.gz DFNVFSLILITDQQ-CABCVRRESA-N 1 0 335.448 3.376 20 5 EGBDRO C[NH+](C)C1(CNc2nc3sccn3c2[N+](=O)[O-])CCCCCC1 ZINC000137657801 454783798 /nfs/dbraw/zinc/78/37/98/454783798.db2.gz OSIZNBOLNHJNDT-UHFFFAOYSA-N 1 0 337.449 3.371 20 5 EGBDRO CCOc1ccc([C@H](C)[NH2+]Cc2c(C)nn(C)c2C)cc1[N+](=O)[O-] ZINC000153445612 454794704 /nfs/dbraw/zinc/79/47/04/454794704.db2.gz QKYUCGJOPHJWMX-NSHDSACASA-N 1 0 332.404 3.195 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000163122944 454823895 /nfs/dbraw/zinc/82/38/95/454823895.db2.gz RDBCJUMXUIEFOT-AWEZNQCLSA-N 1 0 334.420 3.241 20 5 EGBDRO COc1ccc(OCC[N@@H+]2CCC[C@@H]2c2ccncc2)c([N+](=O)[O-])c1 ZINC000154021104 454857140 /nfs/dbraw/zinc/85/71/40/454857140.db2.gz IAQBZWZXWOZCBF-MRXNPFEDSA-N 1 0 343.383 3.214 20 5 EGBDRO C[C@H](C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)[NH+]1CCCCCC1 ZINC000154692331 454919915 /nfs/dbraw/zinc/91/99/15/454919915.db2.gz YQKJIRPHNBPJRT-OAHLLOKOSA-N 1 0 345.443 3.350 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCN(C(=O)C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000126887549 454925015 /nfs/dbraw/zinc/92/50/15/454925015.db2.gz XSFIARNNLPDCST-RHSMWYFYSA-N 1 0 345.443 3.345 20 5 EGBDRO O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000170227872 454934178 /nfs/dbraw/zinc/93/41/78/454934178.db2.gz PEAQJSTXWOBOEO-HNNXBMFYSA-N 1 0 325.368 3.055 20 5 EGBDRO CC(C)[N@@H+]1CCC[C@H](CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000170640045 454946560 /nfs/dbraw/zinc/94/65/60/454946560.db2.gz WICLHTJENBZFBA-CYBMUJFWSA-N 1 0 346.431 3.012 20 5 EGBDRO C[C@H]([NH2+]Cc1ccc(N2CCCC2)nc1)c1ccc([N+](=O)[O-])cc1 ZINC000178642714 454966105 /nfs/dbraw/zinc/96/61/05/454966105.db2.gz RFNPJECDRWIDSW-AWEZNQCLSA-N 1 0 326.400 3.441 20 5 EGBDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1)C(=O)OC(C)(C)C ZINC000170918931 454999217 /nfs/dbraw/zinc/99/92/17/454999217.db2.gz UZGBOOFYFLVIAW-AWEZNQCLSA-N 1 0 349.431 3.284 20 5 EGBDRO C[NH+](C)[C@@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1ccccc1 ZINC000128057862 455021842 /nfs/dbraw/zinc/02/18/42/455021842.db2.gz FYYLNJREMUDLHW-INIZCTEOSA-N 1 0 347.802 3.281 20 5 EGBDRO CC[N@H+](CCNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C(C)C ZINC000129103331 455097777 /nfs/dbraw/zinc/09/77/77/455097777.db2.gz DGJAFRVBBSTKNW-UHFFFAOYSA-N 1 0 347.337 3.074 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@@H]3CCCOCC3)cs2)c1 ZINC000181029947 455278642 /nfs/dbraw/zinc/27/86/42/455278642.db2.gz ZMYTXEPTPFQPRE-CYBMUJFWSA-N 1 0 333.413 3.377 20 5 EGBDRO CC1([C@H]2CCC[N@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)C2)OCCO1 ZINC000183863867 455334221 /nfs/dbraw/zinc/33/42/21/455334221.db2.gz XDIGYZFPKSVHRO-ZDUSSCGKSA-N 1 0 340.807 3.223 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)N2[C@@H](C)CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000181830662 455387446 /nfs/dbraw/zinc/38/74/46/455387446.db2.gz NRAXCWCUWQCTKU-SOUVJXGZSA-N 1 0 333.432 3.343 20 5 EGBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000159815093 455406878 /nfs/dbraw/zinc/40/68/78/455406878.db2.gz QENLWONBRBCAQK-OCCSQVGLSA-N 1 0 349.456 3.016 20 5 EGBDRO C[C@H]([NH2+]CC(=O)Nc1ccc(F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000182021976 455417892 /nfs/dbraw/zinc/41/78/92/455417892.db2.gz VAXWZCWECSHOIX-JTQLQIEISA-N 1 0 335.310 3.162 20 5 EGBDRO Cc1cccc([C@H](C)[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])c1C ZINC000182425985 455511506 /nfs/dbraw/zinc/51/15/06/455511506.db2.gz BANCHPRQEWRSOB-HOTGVXAUSA-N 1 0 344.411 3.302 20 5 EGBDRO CCCNC(=O)[C@H]1CCC[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000182717916 455575129 /nfs/dbraw/zinc/57/51/29/455575129.db2.gz QENMQLDPZBOTEP-GJZGRUSLSA-N 1 0 333.432 3.202 20 5 EGBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000268128704 455596623 /nfs/dbraw/zinc/59/66/23/455596623.db2.gz DEWXCUIPTISPGP-CYBMUJFWSA-N 1 0 345.399 3.049 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000192458692 455622803 /nfs/dbraw/zinc/62/28/03/455622803.db2.gz JJEHQDPTWVPBBF-GJZGRUSLSA-N 1 0 345.443 3.286 20 5 EGBDRO C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000271419841 455629408 /nfs/dbraw/zinc/62/94/08/455629408.db2.gz BMEHQXKKBUQFGY-KBXCAEBGSA-N 1 0 339.395 3.047 20 5 EGBDRO Cc1noc(C2CCC([NH2+]CCc3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000292329682 455630856 /nfs/dbraw/zinc/63/08/56/455630856.db2.gz XAWFGJROYQDQBR-UHFFFAOYSA-N 1 0 330.388 3.145 20 5 EGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1cc(C)nn1C ZINC000284108113 455636232 /nfs/dbraw/zinc/63/62/32/455636232.db2.gz CBWQCLIPCJXMHE-CYBMUJFWSA-N 1 0 334.445 3.297 20 5 EGBDRO CCC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000185858536 455636193 /nfs/dbraw/zinc/63/61/93/455636193.db2.gz KXGAFVZXXDCUCD-CYBMUJFWSA-N 1 0 335.404 3.197 20 5 EGBDRO C[NH+](C)CCN(Cc1ccco1)c1ccc([N+](=O)[O-])c2cnccc21 ZINC000268327528 455652237 /nfs/dbraw/zinc/65/22/37/455652237.db2.gz PAQLUPZUUOTLLW-UHFFFAOYSA-N 1 0 340.383 3.304 20 5 EGBDRO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1OCCc2sccc21 ZINC000292548977 455693717 /nfs/dbraw/zinc/69/37/17/455693717.db2.gz YIYKNHZVCAHMCL-SJCJKPOMSA-N 1 0 348.424 3.327 20 5 EGBDRO C[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@@H]2CCCC[C@@H]21 ZINC000248419664 455714349 /nfs/dbraw/zinc/71/43/49/455714349.db2.gz LEEWECDXNOLMSF-CSMYWGQOSA-N 1 0 332.400 3.472 20 5 EGBDRO CC[C@@H]([NH2+]C[C@H](O)c1cccc(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000268935048 455735443 /nfs/dbraw/zinc/73/54/43/455735443.db2.gz ROXZCGHVYWSYIH-MSOLQXFVSA-N 1 0 330.384 3.378 20 5 EGBDRO CN(C)c1cccc(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)n1 ZINC000193050700 455739198 /nfs/dbraw/zinc/73/91/98/455739198.db2.gz OUGJVHOSYWXNHP-QGZVFWFLSA-N 1 0 326.400 3.223 20 5 EGBDRO C[C@@H]1CN(CCC[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C[C@H](C)O1 ZINC000249040626 455742733 /nfs/dbraw/zinc/74/27/33/455742733.db2.gz UTVDLZZZBFDSMV-KHYOSLBOSA-N 1 0 347.459 3.061 20 5 EGBDRO Cc1cc(C)cc([C@H](O)C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000285153992 455797023 /nfs/dbraw/zinc/79/70/23/455797023.db2.gz MHCXHTDJVMSFQU-SCLBCKFNSA-N 1 0 329.400 3.178 20 5 EGBDRO CC[C@H](C[N@H+](CC)CCn1cc([N+](=O)[O-])ccc1=O)c1ccccc1 ZINC000186608652 455804345 /nfs/dbraw/zinc/80/43/45/455804345.db2.gz GDOLDHJCMBCRCR-MRXNPFEDSA-N 1 0 343.427 3.272 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1N1CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C1)CCN2 ZINC000278360200 455828773 /nfs/dbraw/zinc/82/87/73/455828773.db2.gz KGKQOOIKNWXJPS-CXAGYDPISA-N 1 0 342.443 3.016 20 5 EGBDRO Cc1ccc([C@H](C)NCCC[N@@H+]2CCCO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000278375607 455834493 /nfs/dbraw/zinc/83/44/93/455834493.db2.gz CCOKUQKLIUWBRC-HOTGVXAUSA-N 1 0 335.448 3.055 20 5 EGBDRO COc1ccc([C@H](CO)[N@H+](C)C/C=C\c2ccccc2[N+](=O)[O-])cc1 ZINC000255673574 455871857 /nfs/dbraw/zinc/87/18/57/455871857.db2.gz PYTMPHBYENJIJX-WPGJWXSHSA-N 1 0 342.395 3.282 20 5 EGBDRO CC(=O)c1cc(N[C@H]2CC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000285583901 455876314 /nfs/dbraw/zinc/87/63/14/455876314.db2.gz KSZKPJPQTYMLEJ-KRWDZBQOSA-N 1 0 339.395 3.484 20 5 EGBDRO CC(C)(C)OC(=O)N1CC[C@](C)(C[NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000195190820 455930910 /nfs/dbraw/zinc/93/09/10/455930910.db2.gz FLCOBSGFODPDEY-GOSISDBHSA-N 1 0 349.431 3.332 20 5 EGBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000286278264 456015419 /nfs/dbraw/zinc/01/54/19/456015419.db2.gz QZVLIVPZJGKXRV-FUNVUKJBSA-N 1 0 349.456 3.014 20 5 EGBDRO CCS[C@H]1CCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000286296387 456017954 /nfs/dbraw/zinc/01/79/54/456017954.db2.gz VIEDGQJMCOHACZ-CABCVRRESA-N 1 0 338.429 3.225 20 5 EGBDRO CC[NH2+][C@H](C)CNC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000262433657 456035842 /nfs/dbraw/zinc/03/58/42/456035842.db2.gz WYXIUIHLOASXJC-CYBMUJFWSA-N 1 0 342.399 3.066 20 5 EGBDRO COc1ccc([C@@H](C[NH+]2CCCC2)Nc2ccc([N+](=O)[O-])cn2)cc1 ZINC000272710413 456047680 /nfs/dbraw/zinc/04/76/80/456047680.db2.gz CNVUQWUHXUBBSZ-QGZVFWFLSA-N 1 0 342.399 3.247 20 5 EGBDRO CC[NH+](CC)Cc1ccc(NC(=O)c2c(N)cccc2[N+](=O)[O-])cc1 ZINC000188355085 456049581 /nfs/dbraw/zinc/04/95/81/456049581.db2.gz NKEHEBGYTZUBNF-UHFFFAOYSA-N 1 0 342.399 3.271 20 5 EGBDRO C[NH+](C)CCCC1CCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000270977062 456083611 /nfs/dbraw/zinc/08/36/11/456083611.db2.gz REITVQBNNHYUAB-UHFFFAOYSA-N 1 0 326.828 3.201 20 5 EGBDRO CNC(=O)C1CCC(Nc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000272897831 456105252 /nfs/dbraw/zinc/10/52/52/456105252.db2.gz ZFDIFVALUPHNDW-UHFFFAOYSA-N 1 0 342.399 3.168 20 5 EGBDRO CN(CC1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])cc1Br ZINC000301390087 456106089 /nfs/dbraw/zinc/10/60/89/456106089.db2.gz AAIAYFJYVJPEHB-UHFFFAOYSA-N 1 0 342.237 3.135 20 5 EGBDRO O=C(c1cc2ccccc2c2cccnc12)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000289719381 456138725 /nfs/dbraw/zinc/13/87/25/456138725.db2.gz CBJWPKNXSYEJOH-JKSUJKDBSA-N 1 0 331.419 3.070 20 5 EGBDRO Cc1cc([C@@H](C)[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])ccc1F ZINC000273005542 456142083 /nfs/dbraw/zinc/14/20/83/456142083.db2.gz AHFMMDWRAUBQEA-HIFRSBDPSA-N 1 0 348.374 3.133 20 5 EGBDRO CN(Cc1cc([N+](=O)[O-])ccc1OC(F)F)CC1([NH+](C)C)CCC1 ZINC000189008579 456197218 /nfs/dbraw/zinc/19/72/18/456197218.db2.gz LOXRPYJFACDUIA-UHFFFAOYSA-N 1 0 343.374 3.112 20 5 EGBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC[C@H]1CCO[C@H](C)C1 ZINC000273188902 456207851 /nfs/dbraw/zinc/20/78/51/456207851.db2.gz PJVLZTMCLDMUKB-KFWWJZLASA-N 1 0 349.431 3.107 20 5 EGBDRO C[NH+]1CCN(Cc2ccc(CNc3sccc3[N+](=O)[O-])cc2)CC1 ZINC000301987956 456265548 /nfs/dbraw/zinc/26/55/48/456265548.db2.gz LGOHFCVKEDBKFD-UHFFFAOYSA-N 1 0 346.456 3.016 20 5 EGBDRO C[C@H]1C[C@@H](CO)CC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000290202626 456266009 /nfs/dbraw/zinc/26/60/09/456266009.db2.gz PTOCLWZKVHBHSA-KBPBESRZSA-N 1 0 330.384 3.448 20 5 EGBDRO CCC[C@H]1CN(c2ncccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000302004299 456267755 /nfs/dbraw/zinc/26/77/55/456267755.db2.gz KEKYIWSSHJVUAI-KRWDZBQOSA-N 1 0 340.427 3.481 20 5 EGBDRO Cc1ccc(CNc2cc(C)c([N+](=O)[O-])cn2)c(N2CCCC2)n1 ZINC000302061159 456277972 /nfs/dbraw/zinc/27/79/72/456277972.db2.gz SYJMDANYGHBEIO-UHFFFAOYSA-N 1 0 327.388 3.214 20 5 EGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC000342867475 456283191 /nfs/dbraw/zinc/28/31/91/456283191.db2.gz BVJWYOHZTQFREU-RYUDHWBXSA-N 1 0 331.338 3.224 20 5 EGBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C[C@@H]1C ZINC000342925438 456319171 /nfs/dbraw/zinc/31/91/71/456319171.db2.gz AXSQCSLZEZZTSI-STQMWFEESA-N 1 0 344.415 3.021 20 5 EGBDRO CC[NH+](CC)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000340301445 456372837 /nfs/dbraw/zinc/37/28/37/456372837.db2.gz OSPKHRQPBWRIKE-SNVBAGLBSA-N 1 0 347.337 3.074 20 5 EGBDRO Cc1cc(N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c2cccc([N+](=O)[O-])c2n1 ZINC000302762956 456393633 /nfs/dbraw/zinc/39/36/33/456393633.db2.gz XUAXNMVCRFOCLZ-GDBMZVCRSA-N 1 0 340.427 3.372 20 5 EGBDRO CCOc1cc(C[N@@H+]2CC[C@H](COC(F)F)C2)ccc1[N+](=O)[O-] ZINC000353029211 456447647 /nfs/dbraw/zinc/44/76/47/456447647.db2.gz PNAXHINIAXDFQS-LBPRGKRZSA-N 1 0 330.331 3.055 20 5 EGBDRO C[C@@]1(CO)CCC[C@@H]1[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000304316164 456504745 /nfs/dbraw/zinc/50/47/45/456504745.db2.gz LFIKBDAGTGHGRB-RDJZCZTQSA-N 1 0 347.440 3.359 20 5 EGBDRO CCO[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000353158548 456530215 /nfs/dbraw/zinc/53/02/15/456530215.db2.gz WKFFIMSRNCDYJL-FUHWJXTLSA-N 1 0 346.383 3.138 20 5 EGBDRO Cc1ccccc1NC(=O)CC[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282505150 456535054 /nfs/dbraw/zinc/53/50/54/456535054.db2.gz RIWBEKKNANNWSA-UHFFFAOYSA-N 1 0 341.411 3.406 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@@H]2O)c1 ZINC000291171068 456552314 /nfs/dbraw/zinc/55/23/14/456552314.db2.gz NGLCZPXNFSMDBT-ZSYWTGECSA-N 1 0 348.443 3.034 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(N[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000310326799 456581935 /nfs/dbraw/zinc/58/19/35/456581935.db2.gz ZAZPSCHIFRVHDQ-HNNXBMFYSA-N 1 0 327.384 3.290 20 5 EGBDRO CCOc1cc(CN2CC[C@H]([NH+]3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000276904044 456614594 /nfs/dbraw/zinc/61/45/94/456614594.db2.gz MCTLSEANRJXOFQ-INIZCTEOSA-N 1 0 333.432 3.054 20 5 EGBDRO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@](CO)(Cc3ccccc3)C2)c1 ZINC000291361076 456618437 /nfs/dbraw/zinc/61/84/37/456618437.db2.gz YHBBLXNUOHNIJU-FQEVSTJZSA-N 1 0 340.423 3.412 20 5 EGBDRO CO[C@H]1CCCC[C@@H]1[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000277049131 456664440 /nfs/dbraw/zinc/66/44/40/456664440.db2.gz URHFZCLZSDQKIA-HOTGVXAUSA-N 1 0 345.399 3.340 20 5 EGBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCC(C)CC1 ZINC000299351879 456666274 /nfs/dbraw/zinc/66/62/74/456666274.db2.gz NBCXGPNXTTZJCU-LBPRGKRZSA-N 1 0 339.823 3.098 20 5 EGBDRO COc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000299375611 456672906 /nfs/dbraw/zinc/67/29/06/456672906.db2.gz FZWRAKGUBPOHJN-CHWSQXEVSA-N 1 0 343.383 3.281 20 5 EGBDRO Cc1ccc(C[NH2+]CCCN(C(=O)C2CCC2)C2CC2)cc1[N+](=O)[O-] ZINC000343523957 456682268 /nfs/dbraw/zinc/68/22/68/456682268.db2.gz JGWQRCYWULDOJT-UHFFFAOYSA-N 1 0 345.443 3.174 20 5 EGBDRO COc1ccc(NC(=O)CC[N@H+](C)CC2CCCC2)c([N+](=O)[O-])c1 ZINC000299422102 456688208 /nfs/dbraw/zinc/68/82/08/456688208.db2.gz XNYHLVHTGGGKLY-UHFFFAOYSA-N 1 0 335.404 3.054 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](CCC[NH3+])c2ccccc2)c1 ZINC000326645494 456696630 /nfs/dbraw/zinc/69/66/30/456696630.db2.gz YSHWVBREGSHGFB-MRXNPFEDSA-N 1 0 327.384 3.113 20 5 EGBDRO CCS[C@@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000348467190 456701179 /nfs/dbraw/zinc/70/11/79/456701179.db2.gz HKJNJRITVMTXCA-DZGCQCFKSA-N 1 0 337.445 3.106 20 5 EGBDRO CC(C)Oc1ccc([C@H](CNc2ncccc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000340856806 456723091 /nfs/dbraw/zinc/72/30/91/456723091.db2.gz ZJATYFVTXHUMPL-KRWDZBQOSA-N 1 0 344.415 3.492 20 5 EGBDRO CC(C)Oc1ccc([C@H](CNc2ccc([N+](=O)[O-])cn2)[NH+](C)C)cc1 ZINC000340909541 456755296 /nfs/dbraw/zinc/75/52/96/456755296.db2.gz IQBQYSJJHVEQIK-KRWDZBQOSA-N 1 0 344.415 3.492 20 5 EGBDRO CC[NH+](CC)[C@H](CNC(=O)c1cc(F)ccc1[N+](=O)[O-])c1ccco1 ZINC000299678052 456763130 /nfs/dbraw/zinc/76/31/30/456763130.db2.gz QZTJBGCQIWPBIL-OAHLLOKOSA-N 1 0 349.362 3.140 20 5 EGBDRO CC(C)c1ccc(C[N@@H+]2C[C@@H](N3CCOCC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000348556007 456765080 /nfs/dbraw/zinc/76/50/80/456765080.db2.gz OBELJRRWMMFYFF-RDJZCZTQSA-N 1 0 347.459 3.013 20 5 EGBDRO CC[N@@H+]1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@H](C)C1 ZINC000348560948 456767911 /nfs/dbraw/zinc/76/79/11/456767911.db2.gz WHZXVWYFXTYXQA-CYBMUJFWSA-N 1 0 346.456 3.244 20 5 EGBDRO CC[C@@H](C)[NH2+][C@H](CNc1c([N+](=O)[O-])nc(C)n1CC)c1ccco1 ZINC000340951350 456780035 /nfs/dbraw/zinc/78/00/35/456780035.db2.gz IUGJWIQWTZQZEH-DGCLKSJQSA-N 1 0 335.408 3.254 20 5 EGBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000344219355 456808079 /nfs/dbraw/zinc/80/80/79/456808079.db2.gz PEXYHLZMQOAGDX-GASCZTMLSA-N 1 0 333.432 3.205 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1ccc(CN2C[C@H]3CCC[NH2+][C@@H]3C2)o1 ZINC000353717852 456870228 /nfs/dbraw/zinc/87/02/28/456870228.db2.gz ZETLCCWCDKWBDW-CZUORRHYSA-N 1 0 327.384 3.039 20 5 EGBDRO O=[N+]([O-])c1cccc(OCC[N@H+]2CC=C(c3ccc(O)cc3)CC2)c1 ZINC000339028725 456906237 /nfs/dbraw/zinc/90/62/37/456906237.db2.gz FIMPVVGGJMEXDH-UHFFFAOYSA-N 1 0 340.379 3.469 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCCNc1ccccn1 ZINC000345042967 456907719 /nfs/dbraw/zinc/90/77/19/456907719.db2.gz DLHPWKMFQPBCKI-NTCAYCPXSA-N 1 0 326.400 3.485 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](CCCO)Cc1ccccn1 ZINC000349293553 456934323 /nfs/dbraw/zinc/93/43/23/456934323.db2.gz FBYTYSUJAMYPJB-VBKFSLOCSA-N 1 0 341.411 3.278 20 5 EGBDRO C[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@@H]1CCCC[C@@H]1O ZINC000339100218 456940046 /nfs/dbraw/zinc/94/00/46/456940046.db2.gz WJXIPEZNFNAIOZ-KGLIPLIRSA-N 1 0 332.322 3.349 20 5 EGBDRO CC[C@@H](C(=O)NCc1ccccc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000339270783 457032193 /nfs/dbraw/zinc/03/21/93/457032193.db2.gz RELJKSCCJHQYBQ-KRWDZBQOSA-N 1 0 341.411 3.122 20 5 EGBDRO CC[NH+](CC)CC1CCN(C(=O)c2cccc(C)c2[N+](=O)[O-])CC1 ZINC000330706149 457072834 /nfs/dbraw/zinc/07/28/34/457072834.db2.gz KWUIOEUYMIUJBB-UHFFFAOYSA-N 1 0 333.432 3.097 20 5 EGBDRO O=[N+]([O-])c1cccc(CC[NH2+]Cc2ccc(Br)o2)c1 ZINC000359684803 457114186 /nfs/dbraw/zinc/11/41/86/457114186.db2.gz LDJIUCXKGIHJNQ-UHFFFAOYSA-N 1 0 325.162 3.283 20 5 EGBDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000356788839 457167410 /nfs/dbraw/zinc/16/74/10/457167410.db2.gz DRJWKAGBMQCNMU-UONOGXRCSA-N 1 0 326.400 3.186 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@H](CC2CC2)C1 ZINC000339682745 457212054 /nfs/dbraw/zinc/21/20/54/457212054.db2.gz LIOXAPJFMVLGCH-TZMCWYRMSA-N 1 0 347.415 3.052 20 5 EGBDRO C[C@@H]1CN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@@H](C)[NH+]1C ZINC000354453131 457231678 /nfs/dbraw/zinc/23/16/78/457231678.db2.gz UPYKVVKWJDMXBD-ZIAGYGMSSA-N 1 0 329.400 3.379 20 5 EGBDRO Cc1nc(C)n(C[C@H]2CCC[N@@H+]([C@H](C)c3ccccc3[N+](=O)[O-])C2)n1 ZINC000331722389 457238401 /nfs/dbraw/zinc/23/84/01/457238401.db2.gz KFFLKFVHJQHAAI-CJNGLKHVSA-N 1 0 343.431 3.276 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000331731446 457241054 /nfs/dbraw/zinc/24/10/54/457241054.db2.gz PWLUENUFOXVZCY-JKSUJKDBSA-N 1 0 345.443 3.299 20 5 EGBDRO CC1CCC(C[NH+]2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000339743706 457245351 /nfs/dbraw/zinc/24/53/51/457245351.db2.gz UBZLWVLYCFOXPJ-UHFFFAOYSA-N 1 0 345.443 3.179 20 5 EGBDRO CC(C)CCC[C@H](C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000342367217 457260227 /nfs/dbraw/zinc/26/02/27/457260227.db2.gz YAAMMJUYWIFAKX-AWEZNQCLSA-N 1 0 342.461 3.173 20 5 EGBDRO CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCO1 ZINC000331942412 457277607 /nfs/dbraw/zinc/27/76/07/457277607.db2.gz RPJRBIXELJYZFJ-WCVJEAGWSA-N 1 0 336.436 3.068 20 5 EGBDRO CC[C@H](CC(F)(F)F)[NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000354541638 457279251 /nfs/dbraw/zinc/27/92/51/457279251.db2.gz JTGUGCOSYNXCTQ-ZWNOBZJWSA-N 1 0 345.321 3.021 20 5 EGBDRO C[C@@H]1CCCC[C@H]1C[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000354641856 457292339 /nfs/dbraw/zinc/29/23/39/457292339.db2.gz GOPFMKCSDBGZRM-CVEARBPZSA-N 1 0 345.443 3.179 20 5 EGBDRO C[C@@H]1C[C@@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC[N@@H+]1C ZINC000332192243 457323629 /nfs/dbraw/zinc/32/36/29/457323629.db2.gz QSLFNLKAGVXLPX-PWSUYJOCSA-N 1 0 333.413 3.022 20 5 EGBDRO C[C@@H]1C[C@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC[N@@H+]1C ZINC000332192248 457323985 /nfs/dbraw/zinc/32/39/85/457323985.db2.gz QSLFNLKAGVXLPX-ZYHUDNBSSA-N 1 0 333.413 3.022 20 5 EGBDRO CCN(CCC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)CC(F)(F)F ZINC000354861687 457325118 /nfs/dbraw/zinc/32/51/18/457325118.db2.gz QQRXXBHSBJMMDS-UHFFFAOYSA-N 1 0 345.365 3.227 20 5 EGBDRO COc1ccccc1[C@@H]1CC[C@@H](C)C[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000352249937 457352239 /nfs/dbraw/zinc/35/22/39/457352239.db2.gz AVULQOUKUAFXOZ-PBHICJAKSA-N 1 0 344.415 3.273 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H]1C(C)(C)C ZINC000355341736 457361549 /nfs/dbraw/zinc/36/15/49/457361549.db2.gz KEKXHTMTHABMEV-INIZCTEOSA-N 1 0 349.431 3.443 20 5 EGBDRO CCC(=O)c1ccc(N2CCCC3(CC[NH+](C)CC3)C2)c([N+](=O)[O-])c1 ZINC000373956677 457415898 /nfs/dbraw/zinc/41/58/98/457415898.db2.gz GCVDYZGYKYSJRE-UHFFFAOYSA-N 1 0 345.443 3.500 20 5 EGBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](c3ccco3)C2)c2c(c1)COCO2 ZINC000374008604 457436789 /nfs/dbraw/zinc/43/67/89/457436789.db2.gz RDXBPDRZSGIORD-LBPRGKRZSA-N 1 0 330.340 3.044 20 5 EGBDRO CC(C)(C)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000390192899 457437162 /nfs/dbraw/zinc/43/71/62/457437162.db2.gz ODSOGAGLMIRDLV-UHFFFAOYSA-N 1 0 334.157 3.088 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1ccc(CN2CCC[C@@]3(CC[NH2+]C3)C2)o1 ZINC000352539773 457451479 /nfs/dbraw/zinc/45/14/79/457451479.db2.gz CNOPZAUAGPYHRX-IBGZPJMESA-N 1 0 341.411 3.430 20 5 EGBDRO COc1ccc([C@@H](OC)[C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000357350541 457466181 /nfs/dbraw/zinc/46/61/81/457466181.db2.gz JRASOBSAXRXXEF-ACJLOTCBSA-N 1 0 330.384 3.469 20 5 EGBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC=C(c2ccco2)C1 ZINC000352570284 457473164 /nfs/dbraw/zinc/47/31/64/457473164.db2.gz FPKYAQFPBKGPST-CYBMUJFWSA-N 1 0 341.367 3.304 20 5 EGBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC=C(c2ccco2)C1 ZINC000352570285 457474316 /nfs/dbraw/zinc/47/43/16/457474316.db2.gz FPKYAQFPBKGPST-ZDUSSCGKSA-N 1 0 341.367 3.304 20 5 EGBDRO Cc1nc(N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000425281321 457480333 /nfs/dbraw/zinc/48/03/33/457480333.db2.gz ZQLQODRZCZFGQY-FUHWJXTLSA-N 1 0 338.411 3.009 20 5 EGBDRO CCCN(CC[NH+]1CCCCC1)C(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000342800773 457533187 /nfs/dbraw/zinc/53/31/87/457533187.db2.gz YYUNQKFWBAKIGF-UHFFFAOYSA-N 1 0 333.432 3.241 20 5 EGBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000361044674 457538841 /nfs/dbraw/zinc/53/88/41/457538841.db2.gz JDVZMTLNEPVXGG-GXTWGEPZSA-N 1 0 335.452 3.185 20 5 EGBDRO COc1ccc(-c2ccc(C[NH2+][C@H](C)C[C@@H](C)O)o2)c([N+](=O)[O-])c1 ZINC000361045005 457539819 /nfs/dbraw/zinc/53/98/19/457539819.db2.gz VRTKAIMZGOENPW-VXGBXAGGSA-N 1 0 334.372 3.112 20 5 EGBDRO CN(c1ccccc1)c1ccc(C[NH2+]C2(CO)CCC2)cc1[N+](=O)[O-] ZINC000347644220 457572091 /nfs/dbraw/zinc/57/20/91/457572091.db2.gz FEPTWENRYYZMCX-UHFFFAOYSA-N 1 0 341.411 3.367 20 5 EGBDRO CNc1c(C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000361125166 457596761 /nfs/dbraw/zinc/59/67/61/457596761.db2.gz VSKLSYFYKFMOMQ-CQSZACIVSA-N 1 0 348.447 3.021 20 5 EGBDRO CCC[C@@H]([NH2+]CCN1CCOCC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000361165708 457625089 /nfs/dbraw/zinc/62/50/89/457625089.db2.gz XQEPJVWDUHJCEZ-QGZVFWFLSA-N 1 0 335.448 3.136 20 5 EGBDRO CCC[C@H]([NH2+][C@H]1CCN(c2cnn(C)c2)C1)c1cccc([N+](=O)[O-])c1 ZINC000374576226 457664491 /nfs/dbraw/zinc/66/44/91/457664491.db2.gz OXSDKSHQSMYSLB-YJBOKZPZSA-N 1 0 343.431 3.038 20 5 EGBDRO CC(C)O[C@@H]1C[C@@H]([NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000361544461 457785338 /nfs/dbraw/zinc/78/53/38/457785338.db2.gz DWRQPIVBLYUJLL-APHBMKBZSA-N 1 0 349.431 3.104 20 5 EGBDRO CC1(C)C[C@@H]([NH2+][C@@H](CCO)C2CCOCC2)c2cc([N+](=O)[O-])ccc21 ZINC000433231689 457785924 /nfs/dbraw/zinc/78/59/24/457785924.db2.gz JTEABTVBIVNLPN-ZWKOTPCHSA-N 1 0 348.443 3.084 20 5 EGBDRO CC(C)O[C@@H]1C[C@@H]([NH2+][C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000361553081 457791893 /nfs/dbraw/zinc/79/18/93/457791893.db2.gz WHOADCGWTIXTCD-DAXOMENPSA-N 1 0 349.431 3.104 20 5 EGBDRO CC(C)(C)N1C[C@H]([NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1=O ZINC000433281096 457797466 /nfs/dbraw/zinc/79/74/66/457797466.db2.gz AQKLBRYLGHPDEQ-WBMJQRKESA-N 1 0 345.443 3.306 20 5 EGBDRO COc1ccc(NC(=O)CC[N@H+](C)[C@@H]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000411171366 457820994 /nfs/dbraw/zinc/82/09/94/457820994.db2.gz DHFPQBXHQGYWNC-UONOGXRCSA-N 1 0 349.431 3.443 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCC[C@H]1C(C)C ZINC000411275933 457848288 /nfs/dbraw/zinc/84/82/88/457848288.db2.gz LFEZBZZBXVRROD-INIZCTEOSA-N 1 0 349.431 3.443 20 5 EGBDRO CC(C)[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1cccnc1 ZINC000411413033 457881304 /nfs/dbraw/zinc/88/13/04/457881304.db2.gz YHBAPRGYASYQGM-UHFFFAOYSA-N 1 0 342.399 3.229 20 5 EGBDRO CCOC(=O)c1cc(NC[C@@H]2CCCC[N@@H+]2C2CC2)ccc1[N+](=O)[O-] ZINC000433790425 457887013 /nfs/dbraw/zinc/88/70/13/457887013.db2.gz XDBZMTWXZXQTJH-HNNXBMFYSA-N 1 0 347.415 3.200 20 5 EGBDRO CC(C)C1(C)CC[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000426736915 457890443 /nfs/dbraw/zinc/89/04/43/457890443.db2.gz ZFOGVCMNPFEGEI-MRXNPFEDSA-N 1 0 336.432 3.093 20 5 EGBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)C[C@H]1C ZINC000361871231 457919781 /nfs/dbraw/zinc/91/97/81/457919781.db2.gz JGYFMKARQGSJCX-ZIAGYGMSSA-N 1 0 334.420 3.158 20 5 EGBDRO CC[C@@H]1CCCC[C@@H]1[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000444668593 457932550 /nfs/dbraw/zinc/93/25/50/457932550.db2.gz VUZXVYAJQUEDRZ-PMPSAXMXSA-N 1 0 336.432 3.235 20 5 EGBDRO CC[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCCC[C@H]1C ZINC000444677412 457936994 /nfs/dbraw/zinc/93/69/94/457936994.db2.gz PPQBHLZJZDUBQN-HFTRVMKXSA-N 1 0 336.432 3.235 20 5 EGBDRO CC[C@H]1CCCC[C@H]1[N@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000444678193 457937443 /nfs/dbraw/zinc/93/74/43/457937443.db2.gz QXDDESCARROFGL-WMLDXEAASA-N 1 0 333.432 3.458 20 5 EGBDRO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1cc(F)cc(F)c1 ZINC000444692525 457942093 /nfs/dbraw/zinc/94/20/93/457942093.db2.gz FEVHAQFWBLXQBY-UHFFFAOYSA-N 1 0 349.337 3.334 20 5 EGBDRO Cc1cc(C(=O)N(CC[NH+](C)C)Cc2ccsc2)ccc1[N+](=O)[O-] ZINC000458203908 457967675 /nfs/dbraw/zinc/96/76/75/457967675.db2.gz PVZJYRUVZKBYSV-UHFFFAOYSA-N 1 0 347.440 3.169 20 5 EGBDRO CC(C)[C@@H](CNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)[NH+]1CCCC1 ZINC000458311177 458008683 /nfs/dbraw/zinc/00/86/83/458008683.db2.gz RLJOSUHYWFGZBD-WMLDXEAASA-N 1 0 348.447 3.075 20 5 EGBDRO COc1ccc(-c2ccc(CN3CC[C@@H]([NH3+])[C@H](C)C3)o2)c([N+](=O)[O-])c1 ZINC000435375913 458126718 /nfs/dbraw/zinc/12/67/18/458126718.db2.gz OWGVZRHYBLQJBZ-MLGOLLRUSA-N 1 0 345.399 3.033 20 5 EGBDRO COc1ccc(-c2ccc(C[NH2+][C@@H](CO)C(C)(C)C)o2)c([N+](=O)[O-])c1 ZINC000446840331 458236363 /nfs/dbraw/zinc/23/63/63/458236363.db2.gz YXIRIRSFSUHDCZ-KRWDZBQOSA-N 1 0 348.399 3.360 20 5 EGBDRO O=[N+]([O-])c1cc2c(ncnc2N[C@H]2CC[N@@H+](C3CCCC3)C2)s1 ZINC000376217794 458238926 /nfs/dbraw/zinc/23/89/26/458238926.db2.gz GKYLZDFSPBPJMQ-JTQLQIEISA-N 1 0 333.417 3.028 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(NCc2ccccc2OCC[NH+](C)C)c1 ZINC000447060258 458259554 /nfs/dbraw/zinc/25/95/54/458259554.db2.gz ORSLQSWJQRJTRI-UHFFFAOYSA-N 1 0 329.400 3.456 20 5 EGBDRO C[C@H]1CCC[N@H+](CCNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000436312242 458286808 /nfs/dbraw/zinc/28/68/08/458286808.db2.gz ULVGGPMGPKCJKW-JTQLQIEISA-N 1 0 332.326 3.152 20 5 EGBDRO CCOc1cccc(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000447526431 458305067 /nfs/dbraw/zinc/30/50/67/458305067.db2.gz BKRHCINAUINPSS-SJORKVTESA-N 1 0 344.415 3.464 20 5 EGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCOC2CCCCC2)n1 ZINC000447530926 458305577 /nfs/dbraw/zinc/30/55/77/458305577.db2.gz PQOJAPZNHWFERW-JKSUJKDBSA-N 1 0 336.436 3.214 20 5 EGBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]Cc2cc(F)cc(F)c2)n1 ZINC000447548115 458308888 /nfs/dbraw/zinc/30/88/88/458308888.db2.gz GFRZPSXNAICGQF-CABCVRRESA-N 1 0 336.342 3.343 20 5 EGBDRO CCOc1ccc(NC(=O)C[N@H+](C)[C@H]2CC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000429596833 458352090 /nfs/dbraw/zinc/35/20/90/458352090.db2.gz ZUGAVVQFPMCHSH-STQMWFEESA-N 1 0 335.404 3.052 20 5 EGBDRO CCO[C@@H]1C[C@@H]([NH2+]CCCCc2ccc([N+](=O)[O-])cc2)[C@H]1SC ZINC000459435198 458369558 /nfs/dbraw/zinc/36/95/58/458369558.db2.gz WUJZMVONSMLJGA-BRWVUGGUSA-N 1 0 338.473 3.416 20 5 EGBDRO CC(C)(C)OC(=O)[C@]1(C)CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000459571978 458415403 /nfs/dbraw/zinc/41/54/03/458415403.db2.gz DMPQCBLDHDWDQT-GOSISDBHSA-N 1 0 334.416 3.191 20 5 EGBDRO CON1CCC([N@H+](C)Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000459578926 458418571 /nfs/dbraw/zinc/41/85/71/458418571.db2.gz JHKCMCXYRKKETQ-UHFFFAOYSA-N 1 0 347.337 3.071 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCN(c2ccccc2)CC1 ZINC000430220228 458423532 /nfs/dbraw/zinc/42/35/32/458423532.db2.gz OUUHADKVDCHMJC-UHFFFAOYSA-N 1 0 341.411 3.316 20 5 EGBDRO C[C@H](NCc1cc([N+](=O)[O-])ccc1C(F)(F)F)c1ccn(C)n1 ZINC000459797429 458481156 /nfs/dbraw/zinc/48/11/56/458481156.db2.gz SCVBVPXFYRJJJK-VIFPVBQESA-N 1 0 328.294 3.198 20 5 EGBDRO CCc1nn(C)c(OC)c1C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000468622652 458528614 /nfs/dbraw/zinc/52/86/14/458528614.db2.gz UYOGAJVVRMBKJD-LCYFTJDESA-N 1 0 344.415 3.092 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000373770649 458598795 /nfs/dbraw/zinc/59/87/95/458598795.db2.gz KLBLJTYWOQRGSQ-LJQANCHMSA-N 1 0 340.379 3.235 20 5 EGBDRO [NH3+]C1(c2noc(Cc3ccc([N+](=O)[O-])cc3Cl)n2)CCCCC1 ZINC000424347745 458624032 /nfs/dbraw/zinc/62/40/32/458624032.db2.gz SDNPJWWJQZAVBF-UHFFFAOYSA-N 1 0 336.779 3.340 20 5 EGBDRO CC(C)c1ccc(C(=O)NCC2([NH+](C)C)CCCC2)cc1[N+](=O)[O-] ZINC000439420703 458698723 /nfs/dbraw/zinc/69/87/23/458698723.db2.gz JIUHMOOLXPDYGD-UHFFFAOYSA-N 1 0 333.432 3.322 20 5 EGBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCCCC12CCCC2 ZINC000463449559 458700349 /nfs/dbraw/zinc/70/03/49/458700349.db2.gz LBQOKPNEJMFQIY-CRAIPNDOSA-N 1 0 348.443 3.427 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000463960927 458725936 /nfs/dbraw/zinc/72/59/36/458725936.db2.gz YOFDTQXZDXSQGG-WFASDCNBSA-N 1 0 348.447 3.454 20 5 EGBDRO Cc1c([C@@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)cnn1C(C)C ZINC000530330123 458749133 /nfs/dbraw/zinc/74/91/33/458749133.db2.gz HTVRDSISAWJNOV-CYBMUJFWSA-N 1 0 332.404 3.410 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)CCCNC(=O)C1CCC1 ZINC000432791072 458788273 /nfs/dbraw/zinc/78/82/73/458788273.db2.gz DUIFWZSYPIHSNJ-NTCAYCPXSA-N 1 0 345.443 3.236 20 5 EGBDRO CC(C)(O)C[N@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C1CCOCC1 ZINC000547968364 458816060 /nfs/dbraw/zinc/81/60/60/458816060.db2.gz VOPUPODVEOAHFP-UHFFFAOYSA-N 1 0 342.823 3.000 20 5 EGBDRO C[C@H]1CCCC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000548163515 458848332 /nfs/dbraw/zinc/84/83/32/458848332.db2.gz KTPVUIRDTTVAMP-ZDUSSCGKSA-N 1 0 333.388 3.015 20 5 EGBDRO CC[C@@H](O)C[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000441079971 458885773 /nfs/dbraw/zinc/88/57/73/458885773.db2.gz OSCBMKFLLXZERY-LJQANCHMSA-N 1 0 328.412 3.410 20 5 EGBDRO CCOC(=O)C1(C)CCC([NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000474735692 458899181 /nfs/dbraw/zinc/89/91/81/458899181.db2.gz MHMKFBLOJIVJSE-UHFFFAOYSA-N 1 0 334.416 3.239 20 5 EGBDRO CCC[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000466486465 458901386 /nfs/dbraw/zinc/90/13/86/458901386.db2.gz MPRWACYYZFZIQZ-ZIAGYGMSSA-N 1 0 349.431 3.443 20 5 EGBDRO O=C1CCN1c1cccc(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])c1 ZINC000441219661 458902508 /nfs/dbraw/zinc/90/25/08/458902508.db2.gz YWKWAINIKZAGID-QPJJXVBHSA-N 1 0 337.379 3.135 20 5 EGBDRO CCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])c(C(=O)OCC)c2)CC1 ZINC000467742427 458984765 /nfs/dbraw/zinc/98/47/65/458984765.db2.gz AJIAPHZBXYDJDX-UHFFFAOYSA-N 1 0 335.404 3.058 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CC[C@](O)(C(F)(F)F)C2)c(Cl)c1 ZINC000589938148 459053197 /nfs/dbraw/zinc/05/31/97/459053197.db2.gz GOGZODPJAFIQFU-BXKDBHETSA-N 1 0 338.713 3.184 20 5 EGBDRO COCCOc1ccc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)cn1 ZINC000532447929 459090104 /nfs/dbraw/zinc/09/01/04/459090104.db2.gz DBSGOBDIAWFHFG-AWEZNQCLSA-N 1 0 345.399 3.174 20 5 EGBDRO C[N@@H+]1CCC[C@]2(CCN(c3ccc([N+](=O)[O-])c4cccnc43)C2)C1 ZINC000590141886 459092267 /nfs/dbraw/zinc/09/22/67/459092267.db2.gz ADWLIUXXINZMDQ-SFHVURJKSA-N 1 0 326.400 3.065 20 5 EGBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[NH2+]C2(CO)CCCCC2)c1 ZINC000590167975 459097165 /nfs/dbraw/zinc/09/71/65/459097165.db2.gz SIMQIJQRVKVATG-UHFFFAOYSA-N 1 0 332.322 3.398 20 5 EGBDRO CCN(CC[NH+]1CCCCCC1)C(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000558028661 459126008 /nfs/dbraw/zinc/12/60/08/459126008.db2.gz BWJMJXQBBAKEHR-UHFFFAOYSA-N 1 0 347.459 3.170 20 5 EGBDRO CC[N@H+](CCN[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F)C1CC1 ZINC000578076095 459141954 /nfs/dbraw/zinc/14/19/54/459141954.db2.gz YVVBZGBKWUNQNP-CQSZACIVSA-N 1 0 331.338 3.272 20 5 EGBDRO C[C@@H]1CCN(CC[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000532801697 459148148 /nfs/dbraw/zinc/14/81/48/459148148.db2.gz GQKITJSUUUZPFL-NUJGCVRESA-N 1 0 331.460 3.237 20 5 EGBDRO COc1ccc(-c2ccc(C[NH2+][C@@H]3CO[C@@H](C)C3)o2)c([N+](=O)[O-])c1 ZINC000567853712 459178176 /nfs/dbraw/zinc/17/81/76/459178176.db2.gz LHODDTISZIIFHF-RYUDHWBXSA-N 1 0 332.356 3.130 20 5 EGBDRO CCn1nc(C)c([N+](=O)[O-])c1Nc1cccc(CC[N@H+](C)C2CC2)c1 ZINC000480120178 459184434 /nfs/dbraw/zinc/18/44/34/459184434.db2.gz RLJMXMIOVVKSOR-UHFFFAOYSA-N 1 0 343.431 3.500 20 5 EGBDRO C[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]2CCCC[C@H]12 ZINC000533239858 459207210 /nfs/dbraw/zinc/20/72/10/459207210.db2.gz XBIFMRQCUQJGFP-IIAWOOMASA-N 1 0 331.416 3.434 20 5 EGBDRO CC(C)c1ccc(C[NH2+]C[C@H]2CC(=O)N(C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000594992556 459208687 /nfs/dbraw/zinc/20/86/87/459208687.db2.gz GTEHBSYGCLFYBC-OAHLLOKOSA-N 1 0 347.459 3.455 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000595017757 459216290 /nfs/dbraw/zinc/21/62/90/459216290.db2.gz OENUITCNTNUSOQ-CABCVRRESA-N 1 0 335.448 3.376 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H]1COc2ccccc21 ZINC000595053346 459228752 /nfs/dbraw/zinc/22/87/52/459228752.db2.gz XOMGFHLJWMZDND-STQMWFEESA-N 1 0 328.368 3.430 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]CC(C)(C)[C@]2(O)CCCOC2)cc1[N+](=O)[O-] ZINC000595100012 459245753 /nfs/dbraw/zinc/24/57/53/459245753.db2.gz IBDGABBOGQYBGI-KSSFIOAISA-N 1 0 336.432 3.122 20 5 EGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000595104296 459247122 /nfs/dbraw/zinc/24/71/22/459247122.db2.gz OQWPVPGCFVKZPE-CABCVRRESA-N 1 0 347.459 3.153 20 5 EGBDRO CC[C@@H](C)[N@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000582031425 459294999 /nfs/dbraw/zinc/29/49/99/459294999.db2.gz IZPZCQWSKJVBOY-SECBINFHSA-N 1 0 348.184 3.430 20 5 EGBDRO CC[NH+](CC)CCCC1CCN(Cc2onc(C)c2[N+](=O)[O-])CC1 ZINC000595423567 459297051 /nfs/dbraw/zinc/29/70/51/459297051.db2.gz ASVUGIQRLGJUSL-UHFFFAOYSA-N 1 0 338.452 3.225 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH+]3CCC(CCO)CC3)o2)c1 ZINC000534333424 459316402 /nfs/dbraw/zinc/31/64/02/459316402.db2.gz PHHXJBJLXXMDDT-UHFFFAOYSA-N 1 0 330.384 3.449 20 5 EGBDRO C[N@@H+]1CCC[C@]2(CCN(c3nccc4ccc([N+](=O)[O-])cc43)C2)C1 ZINC000591162380 459326590 /nfs/dbraw/zinc/32/65/90/459326590.db2.gz WVBRPFKNCXJKGI-SFHVURJKSA-N 1 0 326.400 3.065 20 5 EGBDRO CC(C)CNC(=O)CCC[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000595520748 459333450 /nfs/dbraw/zinc/33/34/50/459333450.db2.gz CYUBGFIHFXJGKV-QGZVFWFLSA-N 1 0 347.459 3.327 20 5 EGBDRO CC[N@H+](CCC1CC1)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000569295384 459425718 /nfs/dbraw/zinc/42/57/18/459425718.db2.gz IGUWLWPMGDJOTK-UHFFFAOYSA-N 1 0 325.796 3.309 20 5 EGBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CCCCS1 ZINC000541556445 459466061 /nfs/dbraw/zinc/46/60/61/459466061.db2.gz IZTGUEVLVCHVHW-DOMZBBRYSA-N 1 0 337.445 3.187 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](N[C@H]2CCc3nc[nH]c3C2)C(F)(F)F)cc1 ZINC000583208903 459501510 /nfs/dbraw/zinc/50/15/10/459501510.db2.gz UIBJYFNVKJCAID-IINYFYTJSA-N 1 0 340.305 3.068 20 5 EGBDRO CC[NH+](CC)[C@@H](CNc1cc[nH]c(=O)c1[N+](=O)[O-])c1ccccc1 ZINC000596052720 459502327 /nfs/dbraw/zinc/50/23/27/459502327.db2.gz IKPIRYFWUIMFPT-HNNXBMFYSA-N 1 0 330.388 3.190 20 5 EGBDRO CCC[C@H](C)[C@@H]1CCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000486790305 459521694 /nfs/dbraw/zinc/52/16/94/459521694.db2.gz WKUYFSSSEHSNNS-ZVZYQTTQSA-N 1 0 336.432 3.235 20 5 EGBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CC[C@H](c3cccnc3)C2)cc1 ZINC000592140106 459534053 /nfs/dbraw/zinc/53/40/53/459534053.db2.gz AOIJQMUPFDVNAO-INIZCTEOSA-N 1 0 327.384 3.248 20 5 EGBDRO COC[C@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C(C)C ZINC000542522223 459565977 /nfs/dbraw/zinc/56/59/77/459565977.db2.gz RQMUUHILCGFBLR-HNNXBMFYSA-N 1 0 333.388 3.053 20 5 EGBDRO CC[NH+](CC)CCC[C@H](C)NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000572938793 459598582 /nfs/dbraw/zinc/59/85/82/459598582.db2.gz QMGBGUNSNDPTOY-LSDHHAIUSA-N 1 0 335.448 3.325 20 5 EGBDRO C[C@@H]1Oc2ccccc2[C@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000573083750 459623134 /nfs/dbraw/zinc/62/31/34/459623134.db2.gz HNVUBSUKBHLCJX-SGTLLEGYSA-N 1 0 341.367 3.035 20 5 EGBDRO O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000592536759 459629338 /nfs/dbraw/zinc/62/93/38/459629338.db2.gz UBHSVDJLESRYQQ-LQAWEQHXSA-N 1 0 339.351 3.076 20 5 EGBDRO CNc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)C1CCCCC1 ZINC000592826685 459699329 /nfs/dbraw/zinc/69/93/29/459699329.db2.gz IVVJDYDWLWTKNN-UHFFFAOYSA-N 1 0 334.420 3.230 20 5 EGBDRO Cc1ccc(C(=O)N(CC[NH+](C)C)CC2CCCCC2)cc1[N+](=O)[O-] ZINC000501236776 459717367 /nfs/dbraw/zinc/71/73/67/459717367.db2.gz GJYNTFDRKDCQEX-UHFFFAOYSA-N 1 0 347.459 3.487 20 5 EGBDRO COC(=O)c1cc([N+](=O)[O-])cc(-c2cccc(C[NH+](C)C)c2)c1C ZINC000592987394 459732160 /nfs/dbraw/zinc/73/21/60/459732160.db2.gz RGSAZISIHIUHEH-UHFFFAOYSA-N 1 0 328.368 3.418 20 5 EGBDRO O=C1CCCN1CC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000584415633 459733390 /nfs/dbraw/zinc/73/33/90/459733390.db2.gz QOORBRNOWPCVKY-UHFFFAOYSA-N 1 0 345.424 3.035 20 5 EGBDRO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000544190084 459737163 /nfs/dbraw/zinc/73/71/63/459737163.db2.gz FPWXUBIPYAFBJB-STQMWFEESA-N 1 0 349.431 3.298 20 5 EGBDRO C[C@@H]1[C@@H](C)N(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[C@@H](C)CN1C ZINC000593188023 459801345 /nfs/dbraw/zinc/80/13/45/459801345.db2.gz UDDDMAZAPVFBEE-QJPTWQEYSA-N 1 0 347.440 3.363 20 5 EGBDRO COCCc1ccc(OC[C@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])cc1 ZINC000597045605 459823607 /nfs/dbraw/zinc/82/36/07/459823607.db2.gz ARSYXTIHOKPXPV-HNNXBMFYSA-N 1 0 344.411 3.341 20 5 EGBDRO CCO[C@@H]1C[C@@H]1[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000618198595 459931150 /nfs/dbraw/zinc/93/11/50/459931150.db2.gz JYTDMVGADFISBB-WMLDXEAASA-N 1 0 332.356 3.130 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCSC2(CCOCC2)C1 ZINC000588492115 459955142 /nfs/dbraw/zinc/95/51/42/459955142.db2.gz XYAAGSSSEUJUFJ-HYXAFXHYSA-N 1 0 334.441 3.206 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](c2ccco2)C1 ZINC000609539883 459977326 /nfs/dbraw/zinc/97/73/26/459977326.db2.gz GLXHEWGXOOLRQY-CQSZACIVSA-N 1 0 343.383 3.314 20 5 EGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000602516982 459977576 /nfs/dbraw/zinc/97/75/76/459977576.db2.gz UWAWRLKQUFTICN-UONOGXRCSA-N 1 0 343.349 3.330 20 5 EGBDRO COc1cc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c(Cl)cc1O ZINC000602544565 459991045 /nfs/dbraw/zinc/99/10/45/459991045.db2.gz LWXBXHQZFHFDOM-UHFFFAOYSA-N 1 0 336.775 3.295 20 5 EGBDRO C[C@H](CCc1cccn1C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602555046 459995445 /nfs/dbraw/zinc/99/54/45/459995445.db2.gz GFQRGRORAYAAAW-GFCCVEGCSA-N 1 0 328.372 3.185 20 5 EGBDRO [NH3+][C@]12CCC[C@@H]1CN(Cc1csc(-c3cccc([N+](=O)[O-])c3)n1)C2 ZINC000598717495 460005348 /nfs/dbraw/zinc/00/53/48/460005348.db2.gz GIAWJKUNASFHCD-DYVFJYSZSA-N 1 0 344.440 3.032 20 5 EGBDRO C[C@@H]1C[C@H](C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CCO1 ZINC000602581409 460007585 /nfs/dbraw/zinc/00/75/85/460007585.db2.gz JRIGSMKOYFBVMU-RKDXNWHRSA-N 1 0 349.250 3.324 20 5 EGBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)CC[NH+]1CCCCC1 ZINC000593882327 460008163 /nfs/dbraw/zinc/00/81/63/460008163.db2.gz HUBRJMPHXZHSOH-QGZVFWFLSA-N 1 0 347.459 3.108 20 5 EGBDRO Cc1cc(C)c(NC(=O)C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000602585704 460010252 /nfs/dbraw/zinc/01/02/52/460010252.db2.gz HTDPEADUNKUUON-UHFFFAOYSA-N 1 0 341.411 3.291 20 5 EGBDRO CC(C)([NH2+]Cc1cnnn1-c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000588965321 460013185 /nfs/dbraw/zinc/01/31/85/460013185.db2.gz HTNNRLLEVAFUEW-UHFFFAOYSA-N 1 0 337.383 3.200 20 5 EGBDRO O=C(NCCC[NH2+]C1CCCCC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000609852434 460029147 /nfs/dbraw/zinc/02/91/47/460029147.db2.gz SONPLKKTVDLNOB-UHFFFAOYSA-N 1 0 339.823 3.290 20 5 EGBDRO C[C@@H]1COCC[C@H]1C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602656971 460047165 /nfs/dbraw/zinc/04/71/65/460047165.db2.gz VLZMINOPGUGBSF-BDAKNGLRSA-N 1 0 349.250 3.181 20 5 EGBDRO C[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccsc1 ZINC000602657284 460047514 /nfs/dbraw/zinc/04/75/14/460047514.db2.gz DFZKEECGTGELHE-LBPRGKRZSA-N 1 0 332.429 3.371 20 5 EGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH+]1CCC2(CCO2)CC1 ZINC000602659080 460049431 /nfs/dbraw/zinc/04/94/31/460049431.db2.gz MWVDENNGCCKAQN-UHFFFAOYSA-N 1 0 330.306 3.369 20 5 EGBDRO CC(C)(C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000610064671 460057433 /nfs/dbraw/zinc/05/74/33/460057433.db2.gz OVECDXSHEKMXKZ-OAHLLOKOSA-N 1 0 345.443 3.006 20 5 EGBDRO CC(C)(C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)c1ccccn1 ZINC000602673716 460057858 /nfs/dbraw/zinc/05/78/58/460057858.db2.gz MNIBUBOSXHGNHQ-UHFFFAOYSA-N 1 0 326.356 3.198 20 5 EGBDRO CO[C@@H](C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1ccccc1 ZINC000602676001 460059357 /nfs/dbraw/zinc/05/93/57/460059357.db2.gz YKEQXIUUSZGRAL-OAHLLOKOSA-N 1 0 341.367 3.083 20 5 EGBDRO CN(Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C[C@@H]1CCC[N@@H+]1C ZINC000602701059 460074028 /nfs/dbraw/zinc/07/40/28/460074028.db2.gz ZCHOZSLQUXZLCF-ZDUSSCGKSA-N 1 0 331.338 3.140 20 5 EGBDRO C[C@@H]1C[C@H](CO)C[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602700818 460074474 /nfs/dbraw/zinc/07/44/74/460074474.db2.gz XINZCEQEBZWMAX-MNOVXSKESA-N 1 0 332.322 3.064 20 5 EGBDRO C[C@H]1C[C@H](CO)C[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602700820 460074870 /nfs/dbraw/zinc/07/48/70/460074870.db2.gz XINZCEQEBZWMAX-QWRGUYRKSA-N 1 0 332.322 3.064 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000597859215 460082751 /nfs/dbraw/zinc/08/27/51/460082751.db2.gz BJLNBYGGEQUAFE-AWEZNQCLSA-N 1 0 333.432 3.062 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000597921519 460112339 /nfs/dbraw/zinc/11/23/39/460112339.db2.gz GOVPGHWWFAYNQS-AWEZNQCLSA-N 1 0 333.432 3.123 20 5 EGBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000597925534 460114567 /nfs/dbraw/zinc/11/45/67/460114567.db2.gz WQSHUZDXJUSUAI-JKSUJKDBSA-N 1 0 347.459 3.153 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC=C(c2cccc(C)c2)CC1 ZINC000602797073 460131600 /nfs/dbraw/zinc/13/16/00/460131600.db2.gz HJTACSCHNTUNPE-UHFFFAOYSA-N 1 0 326.400 3.197 20 5 EGBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000594198301 460145082 /nfs/dbraw/zinc/14/50/82/460145082.db2.gz GLWLKNRCYKUPIQ-HOCLYGCPSA-N 1 0 349.456 3.063 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCCN1CC(F)F)CCC2 ZINC000599066601 460148495 /nfs/dbraw/zinc/14/84/95/460148495.db2.gz SVIIGRPLUQATDX-ZBFHGGJFSA-N 1 0 339.386 3.291 20 5 EGBDRO C[C@H]([NH2+]CC[C@@H](O)COCc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000599089910 460157821 /nfs/dbraw/zinc/15/78/21/460157821.db2.gz PSJQYGFWLAMIRE-HNAYVOBHSA-N 1 0 344.411 3.213 20 5 EGBDRO CN(CCCC[NH+]1CCCCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000602958499 460201356 /nfs/dbraw/zinc/20/13/56/460201356.db2.gz FKLIRJVKPFXMCH-UHFFFAOYSA-N 1 0 334.420 3.325 20 5 EGBDRO CCC(C)(C)[NH+]1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000594390395 460203425 /nfs/dbraw/zinc/20/34/25/460203425.db2.gz WADJUAMSZKPDNC-UHFFFAOYSA-N 1 0 339.823 3.195 20 5 EGBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000610722106 460225625 /nfs/dbraw/zinc/22/56/25/460225625.db2.gz GSEQYKOPYOALRB-HNNXBMFYSA-N 1 0 348.447 3.004 20 5 EGBDRO COC1CCN(CC[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000618984863 460241909 /nfs/dbraw/zinc/24/19/09/460241909.db2.gz BINHIKBDWMDFAX-GOSISDBHSA-N 1 0 347.459 3.018 20 5 EGBDRO CC1(C)C[C@@H]([NH2+]CCOC[C@H]2CCCO2)c2cc([N+](=O)[O-])ccc21 ZINC000618984290 460242200 /nfs/dbraw/zinc/24/22/00/460242200.db2.gz VVKDFIMTBWDMMV-RHSMWYFYSA-N 1 0 334.416 3.102 20 5 EGBDRO CC1(C)C[C@@H]([NH2+][C@H]2CCN(CC3CC3)C2)c2cc([N+](=O)[O-])ccc21 ZINC000618984268 460242589 /nfs/dbraw/zinc/24/25/89/460242589.db2.gz OOMRWBHPRDCREB-KBXCAEBGSA-N 1 0 329.444 3.391 20 5 EGBDRO CO[C@@]1(C(F)(F)F)CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000614924837 460247447 /nfs/dbraw/zinc/24/74/47/460247447.db2.gz NLDVPUSMAZKACZ-AWEZNQCLSA-N 1 0 332.322 3.181 20 5 EGBDRO O=C(CC[N@@H+]1CCCC(F)(F)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000599552975 460273622 /nfs/dbraw/zinc/27/36/22/460273622.db2.gz OUTZXFJAYNKHBH-UHFFFAOYSA-N 1 0 327.331 3.045 20 5 EGBDRO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599586901 460280580 /nfs/dbraw/zinc/28/05/80/460280580.db2.gz KDTCZLBRMDVWEX-CJNGLKHVSA-N 1 0 334.416 3.395 20 5 EGBDRO Cc1cccc(C(=O)N(C)CCCC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000603412080 460299956 /nfs/dbraw/zinc/29/99/56/460299956.db2.gz FVWIBLZHYHSHEW-UHFFFAOYSA-N 1 0 333.432 3.241 20 5 EGBDRO CC[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C[C@H]1C ZINC000611182406 460303546 /nfs/dbraw/zinc/30/35/46/460303546.db2.gz ABHQHFYUGNQUKR-CQSZACIVSA-N 1 0 326.400 3.187 20 5 EGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000611209197 460308034 /nfs/dbraw/zinc/30/80/34/460308034.db2.gz NBMXEDFGBJAMLJ-JKIFEVAISA-N 1 0 343.427 3.131 20 5 EGBDRO COc1cc(N2CCC[C@H]([NH+]3[C@@H](C)CC[C@@H]3C)C2)ccc1[N+](=O)[O-] ZINC000611370328 460346520 /nfs/dbraw/zinc/34/65/20/460346520.db2.gz CCGZOIZECGOHGZ-DZKIICNBSA-N 1 0 333.432 3.445 20 5 EGBDRO CC(C)[C@H](C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])c1ccnn1C ZINC000615943324 460432947 /nfs/dbraw/zinc/43/29/47/460432947.db2.gz AQBCJXLRPLGWMK-BVBGJJFLSA-N 1 0 328.416 3.371 20 5 EGBDRO CC(C)[NH2+][C@@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000604539036 460443639 /nfs/dbraw/zinc/44/36/39/460443639.db2.gz BMQPVAWSRSODSU-LLVKDONJSA-N 1 0 340.811 3.243 20 5 EGBDRO Cc1ccncc1[C@H](C)[NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000611938950 460491797 /nfs/dbraw/zinc/49/17/97/460491797.db2.gz LYSBQGLNCYBIIP-KBPBESRZSA-N 1 0 342.399 3.284 20 5 EGBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1ccnc2ccc([N+](=O)[O-])cc21 ZINC000601164702 460736988 /nfs/dbraw/zinc/73/69/88/460736988.db2.gz FHZBPJCIDLZOEK-UKRRQHHQSA-N 1 0 326.400 3.206 20 5 EGBDRO C[C@H]([NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)[C@@H](O)C(F)(F)F ZINC000601301342 460781375 /nfs/dbraw/zinc/78/13/75/460781375.db2.gz YPMODCMGJQKTQV-ZEGGKSINSA-N 1 0 332.322 3.219 20 5 EGBDRO O=[N+]([O-])c1ccsc1NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000617474968 460872309 /nfs/dbraw/zinc/87/23/09/460872309.db2.gz DYDJLLCUMVGZQP-OAHLLOKOSA-N 1 0 347.440 3.359 20 5 EGBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000613234148 460877392 /nfs/dbraw/zinc/87/73/92/460877392.db2.gz BWPRGNLPBATEGP-ZBFHGGJFSA-N 1 0 347.459 3.010 20 5 EGBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000613244710 460881411 /nfs/dbraw/zinc/88/14/11/460881411.db2.gz PCFUQUMVRBLSSS-SJORKVTESA-N 1 0 347.459 3.153 20 5 EGBDRO C[C@H](CNc1ncnc2ccc([N+](=O)[O-])cc21)[N@@H+]1CCC[C@H](C)C1 ZINC000611701886 469305865 /nfs/dbraw/zinc/30/58/65/469305865.db2.gz RNBMZDJWGDWEFS-QWHCGFSZSA-N 1 0 329.404 3.070 20 5 EGBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000619158295 469539622 /nfs/dbraw/zinc/53/96/22/469539622.db2.gz PERQELONAQPQIF-HNNXBMFYSA-N 1 0 329.404 3.070 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1CCO ZINC000188011914 534887830 /nfs/dbraw/zinc/88/78/30/534887830.db2.gz HLGFFLRBAAPAJD-ATLSCFEFSA-N 1 0 332.444 3.447 20 5 EGBDRO CC(C)(C)[C@@H](CCO)[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000183682093 526615727 /nfs/dbraw/zinc/61/57/27/526615727.db2.gz CEMSBZBGLFMALD-MRXNPFEDSA-N 1 0 347.415 3.179 20 5 EGBDRO CCCN(CCC[NH+](C)C)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000191511117 528068385 /nfs/dbraw/zinc/06/83/85/528068385.db2.gz LDDCHYGFSDWKDB-UHFFFAOYSA-N 1 0 336.436 3.407 20 5 EGBDRO CC(C)N(C)c1ccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000190955667 528840815 /nfs/dbraw/zinc/84/08/15/528840815.db2.gz ZXWBONCLUQVGTP-UHFFFAOYSA-N 1 0 328.416 3.167 20 5 EGBDRO CC[NH+](CC)CCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1 ZINC000043686880 535556184 /nfs/dbraw/zinc/55/61/84/535556184.db2.gz WXSTXMMWKHWKFD-UHFFFAOYSA-N 1 0 347.371 3.161 20 5 EGBDRO Cc1c([C@H](C)[NH2+]Cc2ccc([S@](C)=O)cc2)cccc1[N+](=O)[O-] ZINC000090220917 546654906 /nfs/dbraw/zinc/65/49/06/546654906.db2.gz VCYSYDTVCKTJDP-ZAMGYDSWSA-N 1 0 332.425 3.491 20 5 EGBDRO Cc1cccc([C@H](C)[NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])c1C ZINC000183707703 547101059 /nfs/dbraw/zinc/10/10/59/547101059.db2.gz UJACGAZCJORRIK-ZDUSSCGKSA-N 1 0 327.384 3.161 20 5 EGBDRO Cc1c(C[N@@H+]2CCCN(Cc3cscn3)CC2)cccc1[N+](=O)[O-] ZINC000727439468 574667680 /nfs/dbraw/zinc/66/76/80/574667680.db2.gz MITLRFFEKGMKLL-UHFFFAOYSA-N 1 0 346.456 3.068 20 5 EGBDRO CC[NH+](CC)Cc1ccc(C(=O)OCc2ccc([N+](=O)[O-])cc2)o1 ZINC000828786114 1292497657 /nfs/dbraw/zinc/49/76/57/1292497657.db2.gz CMGFMZYZIZNLAH-UHFFFAOYSA-N 1 0 332.356 3.387 20 5 EGBDRO CC[NH+]1CCC(Nc2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000087834259 1292746424 /nfs/dbraw/zinc/74/64/24/1292746424.db2.gz AVOVQQKBHXINIJ-UHFFFAOYSA-N 1 0 328.210 3.254 20 5 EGBDRO C[C@@H](O)C[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Br ZINC000124068295 1293465922 /nfs/dbraw/zinc/46/59/22/1293465922.db2.gz BHOGJBLQZMQKDK-ZYHUDNBSSA-N 1 0 343.221 3.093 20 5 EGBDRO O=C1N(C[N@@H+]2CCC[C@@H]2C2CCC2)CCN1c1ccccc1[N+](=O)[O-] ZINC000154737910 1294067961 /nfs/dbraw/zinc/06/79/61/1294067961.db2.gz MRHNTTKVNXWMKZ-OAHLLOKOSA-N 1 0 344.415 3.059 20 5 EGBDRO C[N@H+](CC1CCCCC1)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000172893895 1294448575 /nfs/dbraw/zinc/44/85/75/1294448575.db2.gz ZVSIAIIGNMSUBX-UHFFFAOYSA-N 1 0 329.404 3.323 20 5 EGBDRO COc1cccc([C@H](O)C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000178084264 1294714643 /nfs/dbraw/zinc/71/46/43/1294714643.db2.gz PYRVPUPFZYRENM-SCLBCKFNSA-N 1 0 330.384 3.296 20 5 EGBDRO O=[N+]([O-])c1ccc2cnn(C[N@@H+]3CCS[C@@H]4CCCC[C@H]43)c2c1 ZINC000245917337 1296330850 /nfs/dbraw/zinc/33/08/50/1296330850.db2.gz YRZSZQSDAPPAHL-GDBMZVCRSA-N 1 0 332.429 3.262 20 5 EGBDRO [NH3+]C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1c1ccccc1 ZINC000261787514 1296602610 /nfs/dbraw/zinc/60/26/10/1296602610.db2.gz UOVMMTDEGWCHTL-WBVHZDCISA-N 1 0 345.830 3.423 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCN1CCSCC1 ZINC000872034328 1296684926 /nfs/dbraw/zinc/68/49/26/1296684926.db2.gz GUQMFBPTYLLTEY-GFCCVEGCSA-N 1 0 341.502 3.016 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCNC(=O)C(C)C ZINC000872051808 1296702435 /nfs/dbraw/zinc/70/24/35/1296702435.db2.gz NREWQSSQLIAEAB-LBPRGKRZSA-N 1 0 339.461 3.130 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000873011027 1297221497 /nfs/dbraw/zinc/22/14/97/1297221497.db2.gz SVWHUVDBJRHVJN-UHFFFAOYSA-N 1 0 340.427 3.497 20 5 EGBDRO C[C@@H](C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000588613074 1298092899 /nfs/dbraw/zinc/09/28/99/1298092899.db2.gz BWMWFDJQOICVJB-JWJUJFCLSA-N 1 0 335.404 3.111 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCC[C@H](CNC(=O)C(C)C)C1 ZINC000876654610 1298901025 /nfs/dbraw/zinc/90/10/25/1298901025.db2.gz KKAFHFNYQLYXII-MRXNPFEDSA-N 1 0 347.459 3.196 20 5 EGBDRO CC(C)(C)OC(=O)N[C@H](C[NH2+]CCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000877162264 1299189278 /nfs/dbraw/zinc/18/92/78/1299189278.db2.gz GCGXFFWYQSHWPR-MRXNPFEDSA-N 1 0 349.431 3.030 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]Cc2cccc(C(F)(F)F)c2)c1 ZINC000749646818 1299252843 /nfs/dbraw/zinc/25/28/43/1299252843.db2.gz MGBNCDGYXFXUAG-HNNXBMFYSA-N 1 0 340.301 3.437 20 5 EGBDRO CCCOc1ccc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000749679106 1299253681 /nfs/dbraw/zinc/25/36/81/1299253681.db2.gz UYVAHKLKWCCPOB-SFHVURJKSA-N 1 0 330.384 3.207 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]Cc2cc3c(s2)CCCC3)c1 ZINC000749674267 1299254455 /nfs/dbraw/zinc/25/44/55/1299254455.db2.gz HDLAPJGCKWCDIF-INIZCTEOSA-N 1 0 332.425 3.358 20 5 EGBDRO COCCC[N@H+](Cc1ccncc1)Cc1cccc([N+](=O)[O-])c1C ZINC000877527356 1299370866 /nfs/dbraw/zinc/37/08/66/1299370866.db2.gz YXBUGUHXJPJWFD-UHFFFAOYSA-N 1 0 329.400 3.337 20 5 EGBDRO CO[C@@]1(C)C[C@@H]([N@H+](C)Cn2ncc3cc([N+](=O)[O-])ccc32)C1(C)C ZINC000751934225 1299656696 /nfs/dbraw/zinc/65/66/96/1299656696.db2.gz OZVFIXHOISAXSA-WBVHZDCISA-N 1 0 332.404 3.037 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)c1ccco1 ZINC000753936206 1300046263 /nfs/dbraw/zinc/04/62/63/1300046263.db2.gz SFPLQIILEAOBDM-YSVLISHTSA-N 1 0 330.384 3.222 20 5 EGBDRO C[C@@H](C(=O)NCc1cc([N+](=O)[O-])ccc1Cl)[NH+]1CCCCCC1 ZINC000756999014 1300607946 /nfs/dbraw/zinc/60/79/46/1300607946.db2.gz VDVNXWBSECTLQV-LBPRGKRZSA-N 1 0 339.823 3.129 20 5 EGBDRO COc1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(C)c1 ZINC000757646545 1300703489 /nfs/dbraw/zinc/70/34/89/1300703489.db2.gz JUXBFFVYHMIPOG-UHFFFAOYSA-N 1 0 341.411 3.234 20 5 EGBDRO C[C@H](CNCc1ccc([N+](=O)[O-])c(Cl)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000761522351 1301489977 /nfs/dbraw/zinc/48/99/77/1301489977.db2.gz OOWJNYWHZGOTIX-QWHCGFSZSA-N 1 0 325.840 3.458 20 5 EGBDRO O=[N+]([O-])c1c(F)nccc1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000881805759 1301727493 /nfs/dbraw/zinc/72/74/93/1301727493.db2.gz RATGMCQUFAOQBK-UHFFFAOYSA-N 1 0 336.411 3.221 20 5 EGBDRO Cc1c([C@@H](C)[NH2+]C2CCN(C[C@@H]3CCCO3)CC2)cccc1[N+](=O)[O-] ZINC000765976380 1302361246 /nfs/dbraw/zinc/36/12/46/1302361246.db2.gz OEOOBJLBKNFFNS-WBVHZDCISA-N 1 0 347.459 3.197 20 5 EGBDRO CC[C@H]1Cc2ccccc2C[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000767884442 1302778151 /nfs/dbraw/zinc/77/81/51/1302778151.db2.gz SQVOUIRXFUBVFS-HKUYNNGSSA-N 1 0 326.396 3.465 20 5 EGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](O)c1ccco1 ZINC000768092430 1302820005 /nfs/dbraw/zinc/82/00/05/1302820005.db2.gz YBMXYQQEHOVUTD-OCCSQVGLSA-N 1 0 336.413 3.382 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)c1C ZINC000884345823 1302822618 /nfs/dbraw/zinc/82/26/18/1302822618.db2.gz PSVIHVLVAPAJJK-QGZVFWFLSA-N 1 0 345.443 3.062 20 5 EGBDRO C[C@@H]1CCCC[N@@H+]1CC(N)=NOCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000768517254 1302921123 /nfs/dbraw/zinc/92/11/23/1302921123.db2.gz LKLVEYJSOBQPBS-LLVKDONJSA-N 1 0 340.811 3.121 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](C)CNC(=O)OC(C)(C)C ZINC000769412695 1303109517 /nfs/dbraw/zinc/10/95/17/1303109517.db2.gz ABZJIXMUKSEHMR-CHWSQXEVSA-N 1 0 337.420 3.467 20 5 EGBDRO Cc1c([C@H](C)[NH2+][C@H](C)CNC(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC000769413757 1303109532 /nfs/dbraw/zinc/10/95/32/1303109532.db2.gz FAYOYPMQSUNFGD-YPMHNXCESA-N 1 0 337.420 3.467 20 5 EGBDRO CCC[N@H+](CC)CCNC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000770015616 1303207808 /nfs/dbraw/zinc/20/78/08/1303207808.db2.gz IOOLIIDBXNKHMZ-UHFFFAOYSA-N 1 0 328.800 3.102 20 5 EGBDRO CC(C)C[N@@H+](Cc1cccnc1[N+](=O)[O-])C[C@@H](O)c1ccc(F)cc1 ZINC000886020650 1303321287 /nfs/dbraw/zinc/32/12/87/1303321287.db2.gz FJHHWVGQEOGDSQ-QGZVFWFLSA-N 1 0 347.390 3.321 20 5 EGBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@@H]1Cn1cnc2ccccc21 ZINC000886087613 1303350703 /nfs/dbraw/zinc/35/07/03/1303350703.db2.gz XKTQZNJBHMNFHO-OAHLLOKOSA-N 1 0 337.383 3.004 20 5 EGBDRO O=[N+]([O-])c1ncccc1C[NH2+][C@H](c1ccccc1)C1CCOCC1 ZINC000886111722 1303360099 /nfs/dbraw/zinc/36/00/99/1303360099.db2.gz HSCMXWSOBCYESL-QGZVFWFLSA-N 1 0 327.384 3.247 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(c2nc(C)c(C)[nH]2)CC1 ZINC000886662959 1303544527 /nfs/dbraw/zinc/54/45/27/1303544527.db2.gz QJZQZGIPPLRNKH-UHFFFAOYSA-N 1 0 344.415 3.323 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+][C@@H](CO)C[C@H](O)c2ccccc2)cc1[N+](=O)[O-] ZINC000773102984 1303624669 /nfs/dbraw/zinc/62/46/69/1303624669.db2.gz ABZUHPVSFHTPBQ-YJLNNSPDSA-N 1 0 344.411 3.038 20 5 EGBDRO O=[N+]([O-])c1ccc2c(cnn2C[N@@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)c1 ZINC000773262193 1303651297 /nfs/dbraw/zinc/65/12/97/1303651297.db2.gz OGPHGPIOYYBTIV-CABCVRRESA-N 1 0 344.415 3.041 20 5 EGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCSC(F)(F)F)n1 ZINC000774133264 1303776713 /nfs/dbraw/zinc/77/67/13/1303776713.db2.gz FCSGHCTUIJLDNE-VHSXEESVSA-N 1 0 338.355 3.118 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH+]2CCc3ccccc3CC2)c([N+](=O)[O-])c1 ZINC000774886296 1303872911 /nfs/dbraw/zinc/87/29/11/1303872911.db2.gz FCNDZEGGNIRPPG-UHFFFAOYSA-N 1 0 327.340 3.104 20 5 EGBDRO CC[C@](C)([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccccc1 ZINC000775388764 1303953456 /nfs/dbraw/zinc/95/34/56/1303953456.db2.gz SVBKMRIOKJICNC-SFHVURJKSA-N 1 0 327.384 3.109 20 5 EGBDRO CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1(CC)CC ZINC000776157615 1304103490 /nfs/dbraw/zinc/10/34/90/1304103490.db2.gz SHMQZUBTWNLZBJ-BRWVUGGUSA-N 1 0 336.432 3.202 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH+]2CC(Cc3ccc(F)c(F)c3)C2)cc1 ZINC000776593340 1304178011 /nfs/dbraw/zinc/17/80/11/1304178011.db2.gz HULFVXYVMJQYMU-SFHVURJKSA-N 1 0 348.349 3.081 20 5 EGBDRO CCOC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000776822382 1304206365 /nfs/dbraw/zinc/20/63/65/1304206365.db2.gz JQEZIDWFEWJRQP-GOEBONIOSA-N 1 0 349.431 3.250 20 5 EGBDRO Cc1ccc(C[NH2+]C[C@@H]2COC3(CCCCCC3)O2)cc1[N+](=O)[O-] ZINC000776959695 1304223928 /nfs/dbraw/zinc/22/39/28/1304223928.db2.gz SUQBGTSAKGUQCT-MRXNPFEDSA-N 1 0 334.416 3.459 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)c(F)c1 ZINC000778105809 1304396660 /nfs/dbraw/zinc/39/66/60/1304396660.db2.gz HZZXWZLMLDSEAV-MGPQQGTHSA-N 1 0 328.434 3.203 20 5 EGBDRO C[C@H]1CCCC[N@@H+]1CC(N)=NOCc1ccc([N+](=O)[O-])cc1Cl ZINC000782325242 1304954332 /nfs/dbraw/zinc/95/43/32/1304954332.db2.gz JJRGPQCMTJGIPG-NSHDSACASA-N 1 0 340.811 3.121 20 5 EGBDRO Cc1cc(NC[C@H]2CC2(Cl)Cl)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000782944802 1305026555 /nfs/dbraw/zinc/02/65/55/1305026555.db2.gz KXFNPVSATIAQRM-SECBINFHSA-N 1 0 326.183 3.479 20 5 EGBDRO Cc1cc(NCC[C@H](O)c2ccccc2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000782956513 1305030558 /nfs/dbraw/zinc/03/05/58/1305030558.db2.gz RJLCSXPAUARWQQ-IBGZPJMESA-N 1 0 337.379 3.409 20 5 EGBDRO Cc1ccncc1[C@@H](C)[NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000782997777 1305034719 /nfs/dbraw/zinc/03/47/19/1305034719.db2.gz CKMOZIYXXKRECP-LLVKDONJSA-N 1 0 348.790 3.241 20 5 EGBDRO CC(C)[C@H](C(=O)OCc1ccc(Cl)c([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000783775394 1305144860 /nfs/dbraw/zinc/14/48/60/1305144860.db2.gz FSCIQZZNIONMHW-OAHLLOKOSA-N 1 0 340.807 3.412 20 5 EGBDRO COc1c(O)ccc(C[NH2+][C@H](C)CCc2ccccc2)c1[N+](=O)[O-] ZINC000892446853 1305377471 /nfs/dbraw/zinc/37/74/71/1305377471.db2.gz MCRKVUWDJMSZGL-CYBMUJFWSA-N 1 0 330.384 3.420 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(C2OCCO2)CC1 ZINC000787406411 1305741468 /nfs/dbraw/zinc/74/14/68/1305741468.db2.gz LHJZHBIKKFCNNI-KAMYIIQDSA-N 1 0 332.400 3.083 20 5 EGBDRO C[C@H]([NH2+]CCCN(C)c1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788501631 1305956470 /nfs/dbraw/zinc/95/64/70/1305956470.db2.gz GACSZSFYIHVQBG-AWEZNQCLSA-N 1 0 328.416 3.354 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]CCOCC(F)(F)C(F)F ZINC000894045069 1306190301 /nfs/dbraw/zinc/19/03/01/1306190301.db2.gz FTSXSEBWWVCHMR-UHFFFAOYSA-N 1 0 344.692 3.255 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC([C@H](O)c2ncc[nH]2)CC1 ZINC000790080063 1306258056 /nfs/dbraw/zinc/25/80/56/1306258056.db2.gz OJBNDQMTGPCSOY-DYVFJYSZSA-N 1 0 344.415 3.133 20 5 EGBDRO COc1c(O)ccc(C[NH2+]CCCc2ccccc2F)c1[N+](=O)[O-] ZINC000894177395 1306263512 /nfs/dbraw/zinc/26/35/12/1306263512.db2.gz DPBOTWDORLBRBT-UHFFFAOYSA-N 1 0 334.347 3.171 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@@H](CCO)Cc1ccccc1 ZINC000894254406 1306304779 /nfs/dbraw/zinc/30/47/79/1306304779.db2.gz HCKUIMYJBWPCFQ-INIZCTEOSA-N 1 0 334.803 3.332 20 5 EGBDRO COCC[N@H+](Cn1ncc2cc([N+](=O)[O-])ccc21)[C@@H]1CC[C@@H](C)C1 ZINC000790482178 1306336570 /nfs/dbraw/zinc/33/65/70/1306336570.db2.gz ZMBZAEVLWSURAV-UKRRQHHQSA-N 1 0 332.404 3.039 20 5 EGBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000790582241 1306355930 /nfs/dbraw/zinc/35/59/30/1306355930.db2.gz FRRCSOIXVFXZKC-CQSZACIVSA-N 1 0 339.823 3.098 20 5 EGBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000895064678 1309175592 /nfs/dbraw/zinc/17/55/92/1309175592.db2.gz BAMACWLPVZCTMG-LSDHHAIUSA-N 1 0 348.447 3.029 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3CCCCC[C@H]3CO)cs2)c1 ZINC000895151937 1309212515 /nfs/dbraw/zinc/21/25/15/1309212515.db2.gz OBNXQKIYXNDUCQ-INIZCTEOSA-N 1 0 347.440 3.455 20 5 EGBDRO C[C@@H](CCNC(=O)OC(C)(C)C)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000793601734 1309414334 /nfs/dbraw/zinc/41/43/34/1309414334.db2.gz RLIBPJBRYWOLFV-NSHDSACASA-N 1 0 341.383 3.127 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCc2cccc(C[NH+](C)C)c2)c1C ZINC000895610376 1309427447 /nfs/dbraw/zinc/42/74/47/1309427447.db2.gz ZMUWHSYVXGCOMM-UHFFFAOYSA-N 1 0 341.411 3.203 20 5 EGBDRO CSC[C@@H]1CCC[N@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000793794020 1309441840 /nfs/dbraw/zinc/44/18/40/1309441840.db2.gz AMUXIZGNWCFLLU-CQSZACIVSA-N 1 0 346.456 3.491 20 5 EGBDRO COC1(OC)CC2(C[N@H+](Cc3ccc([N+](=O)[O-])cc3)[C@H]2C(C)C)C1 ZINC000895994918 1309637237 /nfs/dbraw/zinc/63/72/37/1309637237.db2.gz HVRACKRTODCWJJ-INIZCTEOSA-N 1 0 334.416 3.204 20 5 EGBDRO CN(CCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C ZINC000797968809 1310276428 /nfs/dbraw/zinc/27/64/28/1310276428.db2.gz FIZSDXFMAZUDOL-UHFFFAOYSA-N 1 0 337.420 3.284 20 5 EGBDRO COc1ccc2c(c1)CC[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)CC2 ZINC000801525066 1310954898 /nfs/dbraw/zinc/95/48/98/1310954898.db2.gz DREQWBNJNWCHSB-UHFFFAOYSA-N 1 0 330.359 3.343 20 5 EGBDRO CC(=O)Oc1ccc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000801599810 1310972775 /nfs/dbraw/zinc/97/27/75/1310972775.db2.gz DILWAVHUBXOAQZ-UHFFFAOYSA-N 1 0 328.368 3.195 20 5 EGBDRO CCn1ccnc1[C@@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000825005959 1320303161 /nfs/dbraw/zinc/30/31/61/1320303161.db2.gz WDDCORQNAUIQEU-CQSZACIVSA-N 1 0 343.431 3.131 20 5 EGBDRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000825084881 1320309127 /nfs/dbraw/zinc/30/91/27/1320309127.db2.gz SXIHERXSAUWLBG-UHFFFAOYSA-N 1 0 345.374 3.068 20 5 EGBDRO O=C(NCCC[NH+]1CCCCCC1)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000929471943 1328607110 /nfs/dbraw/zinc/60/71/10/1328607110.db2.gz ZXWQYUVMOGPEEX-ROUUACIJSA-N 1 0 345.443 3.081 20 5 EGBDRO CC1(C)CC(NC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC(C)(C)[NH2+]1 ZINC000929685265 1328668409 /nfs/dbraw/zinc/66/84/09/1328668409.db2.gz HPYCGSNIJHTYQT-JKSUJKDBSA-N 1 0 345.443 3.124 20 5 EGBDRO CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000900840176 1317346770 /nfs/dbraw/zinc/34/67/70/1317346770.db2.gz YBEFCTRPVOFWSS-GDBMZVCRSA-N 1 0 349.456 3.042 20 5 EGBDRO CC[C@@](C)([NH3+])c1cc(-c2ccc(N3CCCC3)c([N+](=O)[O-])c2)no1 ZINC000901398315 1317418941 /nfs/dbraw/zinc/41/89/41/1317418941.db2.gz OGVFWNALIZEHAA-QGZVFWFLSA-N 1 0 330.388 3.434 20 5 EGBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)C(F)=C1CCCC1 ZINC001020071535 1317532936 /nfs/dbraw/zinc/53/29/36/1317532936.db2.gz IAFZZALGCRBWGM-SHTZXODSSA-N 1 0 347.390 3.129 20 5 EGBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)C1=CCCCCC1 ZINC001020102265 1317544437 /nfs/dbraw/zinc/54/44/37/1317544437.db2.gz MTTSFIDIJCHIBU-QAQDUYKDSA-N 1 0 343.427 3.222 20 5 EGBDRO C[C@@H]([NH2+]C1CCC(O)(C(F)(F)F)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000903286744 1317682810 /nfs/dbraw/zinc/68/28/10/1317682810.db2.gz GATFYZBHVLVALC-PWQPVHBWSA-N 1 0 332.322 3.481 20 5 EGBDRO CCC[NH+]1CCC(NC(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000809921372 1317917917 /nfs/dbraw/zinc/91/79/17/1317917917.db2.gz FHPXPVDTYLYSMV-UHFFFAOYSA-N 1 0 340.811 3.244 20 5 EGBDRO C[NH+](C)[C@@H]1CCCN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000809940826 1317921528 /nfs/dbraw/zinc/92/15/28/1317921528.db2.gz RVGSQMDZDVEQDQ-GFCCVEGCSA-N 1 0 332.231 3.428 20 5 EGBDRO CN(CC[NH+]1CCCC1)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809945971 1317922124 /nfs/dbraw/zinc/92/21/24/1317922124.db2.gz JBLRDDFNOMXKMA-UHFFFAOYSA-N 1 0 332.231 3.429 20 5 EGBDRO O=[N+]([O-])c1c2cccnc2ccc1N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000905680451 1317980690 /nfs/dbraw/zinc/98/06/90/1317980690.db2.gz OQFJYEYTSICVLL-GOSISDBHSA-N 1 0 326.400 3.113 20 5 EGBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)C1CCC=CCC1 ZINC001021063098 1318064670 /nfs/dbraw/zinc/06/46/70/1318064670.db2.gz AGJKMYVNRNFEFL-QAQDUYKDSA-N 1 0 343.427 3.078 20 5 EGBDRO C[NH+](C)C1(CNCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCC1 ZINC000811492934 1318184566 /nfs/dbraw/zinc/18/45/66/1318184566.db2.gz BAIWWTYDELIHLQ-UHFFFAOYSA-N 1 0 332.231 3.476 20 5 EGBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])[C@@H]1OC ZINC000811491116 1318185276 /nfs/dbraw/zinc/18/52/76/1318185276.db2.gz ZOGFRLXCAFUGSX-SCRDCRAPSA-N 1 0 349.214 3.184 20 5 EGBDRO COC(=O)c1cc([N+](=O)[O-])c(N[C@H](C)C[N@H+](C)C(C)C)cc1Cl ZINC000811858666 1318280507 /nfs/dbraw/zinc/28/05/07/1318280507.db2.gz FKFUZQBIGZPYTO-SNVBAGLBSA-N 1 0 343.811 3.175 20 5 EGBDRO CCC[N@H+](CC)C[C@H](C)Nc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000811869308 1318282992 /nfs/dbraw/zinc/28/29/92/1318282992.db2.gz KAORECMLPYYKDZ-LBPRGKRZSA-N 1 0 325.409 3.144 20 5 EGBDRO CC(C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)=C1CCCC1 ZINC001021956310 1318748386 /nfs/dbraw/zinc/74/83/86/1318748386.db2.gz CTOAKLLPELSVMN-CALCHBBNSA-N 1 0 343.427 3.222 20 5 EGBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)C(F)=C1CCCC1 ZINC001021964474 1318754402 /nfs/dbraw/zinc/75/44/02/1318754402.db2.gz XUDLGMYWPLEQFH-GASCZTMLSA-N 1 0 347.390 3.129 20 5 EGBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)C1=CCCCCC1 ZINC001022006363 1318765064 /nfs/dbraw/zinc/76/50/64/1318765064.db2.gz BRYWOHCEMIPUQK-CALCHBBNSA-N 1 0 343.427 3.222 20 5 EGBDRO C[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C[C@H](C)[N@H+]1C ZINC000815177065 1318921627 /nfs/dbraw/zinc/92/16/27/1318921627.db2.gz DGNPFBXMUXYLIB-AOOOYVTPSA-N 1 0 332.231 3.426 20 5 EGBDRO CCOc1ccccc1CC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815591260 1319022019 /nfs/dbraw/zinc/02/20/19/1319022019.db2.gz BFPLFUGKKNHDEB-ZDUSSCGKSA-N 1 0 329.400 3.469 20 5 EGBDRO CCN(CC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)CCC(F)(F)F ZINC000815620598 1319030143 /nfs/dbraw/zinc/03/01/43/1319030143.db2.gz VQGVLQIHKMZOGH-NSHDSACASA-N 1 0 348.369 3.102 20 5 EGBDRO C[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1cc[nH]c(=O)c1 ZINC000815642380 1319034130 /nfs/dbraw/zinc/03/41/30/1319034130.db2.gz AHSJYQOVLLGXGB-CYBMUJFWSA-N 1 0 342.399 3.015 20 5 EGBDRO C[C@@H](NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000913838425 1319142166 /nfs/dbraw/zinc/14/21/66/1319142166.db2.gz LXQSTORUHDVGCT-GFCCVEGCSA-N 1 0 348.447 3.264 20 5 EGBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CCCC[C@@H]1C ZINC000915600726 1319506032 /nfs/dbraw/zinc/50/60/32/1319506032.db2.gz XFBOCTKVYXXRFM-NWDGAFQWSA-N 1 0 339.823 3.241 20 5 EGBDRO C[C@H](CNC(=S)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000916000828 1319582138 /nfs/dbraw/zinc/58/21/38/1319582138.db2.gz DWSHBYSWQPMYCJ-CHWSQXEVSA-N 1 0 336.461 3.002 20 5 EGBDRO CC1(c2ccccc2)CC([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819028403 1319618412 /nfs/dbraw/zinc/61/84/12/1319618412.db2.gz KQCGWPUQCZGOIR-CUYAVPTFSA-N 1 0 326.396 3.338 20 5 EGBDRO CCC(CC)[C@@H](CNC[C@H](O)c1cccc([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000819059131 1319623298 /nfs/dbraw/zinc/62/32/98/1319623298.db2.gz BLCXYYRQYYRPJX-MOPGFXCFSA-N 1 0 349.475 3.118 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@@H]2CCc3ccccc3C2)cc1 ZINC000819080412 1319630304 /nfs/dbraw/zinc/63/03/04/1319630304.db2.gz FVYOKQYWWYEVFH-AUUYWEPGSA-N 1 0 326.396 3.023 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CC2(c3cccc(F)c3)CC2)cc1 ZINC000819091288 1319632395 /nfs/dbraw/zinc/63/23/95/1319632395.db2.gz CYXLFXIXVASWRK-QGZVFWFLSA-N 1 0 330.359 3.089 20 5 EGBDRO CCOc1cc(C)ccc1C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819149124 1319650078 /nfs/dbraw/zinc/65/00/78/1319650078.db2.gz HGRMLVUWFYXHME-KRWDZBQOSA-N 1 0 330.384 3.125 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@H]2CCCc3ccc(F)cc32)cc1 ZINC000819277226 1319686778 /nfs/dbraw/zinc/68/67/78/1319686778.db2.gz DYQFXPDLRDQFIO-ROUUACIJSA-N 1 0 330.359 3.435 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H]2C[C@H]2c2c(F)cccc2F)cc1 ZINC000819281831 1319687948 /nfs/dbraw/zinc/68/79/48/1319687948.db2.gz MKBGHHDWBBHNMV-WQVCFCJDSA-N 1 0 334.322 3.052 20 5 EGBDRO CO[C@@H]1COCC[C@H]1C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000824708749 1320279382 /nfs/dbraw/zinc/27/93/82/1320279382.db2.gz IUFSPOGCGPZXTB-TVQRCGJNSA-N 1 0 349.214 3.043 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)C[NH+]2CCCCC2)cc1Cl ZINC000836367620 1320479090 /nfs/dbraw/zinc/47/90/90/1320479090.db2.gz QULSACOSZHUACV-GFCCVEGCSA-N 1 0 339.823 3.161 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C(=O)NCC[N@H+]2CCC[C@H](C)C2)cc1Cl ZINC000836380907 1320480592 /nfs/dbraw/zinc/48/05/92/1320480592.db2.gz ADDKJOLRVJOXNJ-NSHDSACASA-N 1 0 339.823 3.018 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)cc1Cl ZINC000836712498 1320525090 /nfs/dbraw/zinc/52/50/90/1320525090.db2.gz DTTGRAXBDADQHV-LLVKDONJSA-N 1 0 341.839 3.263 20 5 EGBDRO CC[NH+](CC)[C@H]1CCN(C(=O)c2cc(Cl)c(C)cc2[N+](=O)[O-])C1 ZINC000836729763 1320527150 /nfs/dbraw/zinc/52/71/50/1320527150.db2.gz ZCPDFAVVOUXUST-LBPRGKRZSA-N 1 0 339.823 3.113 20 5 EGBDRO C[N@H+](Cc1ccccc1NC(=O)[C@@H]1CC1[N+](=O)[O-])C1CCCCC1 ZINC000840253877 1321060153 /nfs/dbraw/zinc/06/01/53/1321060153.db2.gz PETDBGQLYCXNEI-NVXWUHKLSA-N 1 0 331.416 3.055 20 5 EGBDRO C[N@@H+]1CCCC[C@@H]1CCOC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000840260752 1321061506 /nfs/dbraw/zinc/06/15/06/1321061506.db2.gz IPXHUYSDKDAATI-LLVKDONJSA-N 1 0 326.780 3.279 20 5 EGBDRO CO[C@](C)([C@@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC000840858183 1321163422 /nfs/dbraw/zinc/16/34/22/1321163422.db2.gz AWXVCPFCGYTJEU-AUUYWEPGSA-N 1 0 347.459 3.357 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCCNc1ncccn1)CCCC2 ZINC000841758457 1321307980 /nfs/dbraw/zinc/30/79/80/1321307980.db2.gz MDJKUWMFRWPOPD-KRWDZBQOSA-N 1 0 341.415 3.244 20 5 EGBDRO COC1([C@@H](C)[NH2+]Cc2c(Br)cccc2[N+](=O)[O-])CCC1 ZINC000930722059 1328949502 /nfs/dbraw/zinc/94/95/02/1328949502.db2.gz NKSNMESHEIDMSM-SNVBAGLBSA-N 1 0 343.221 3.405 20 5 EGBDRO O[C@@H]1CCN(C2C[NH+](Cc3c4ccccc4cc4ccccc43)C2)C1 ZINC000843421970 1321516788 /nfs/dbraw/zinc/51/67/88/1321516788.db2.gz PIHJZLJYIRQNIH-LJQANCHMSA-N 1 0 332.447 3.244 20 5 EGBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000843852501 1321553415 /nfs/dbraw/zinc/55/34/15/1321553415.db2.gz CXUNFQROZHCSMB-LBPRGKRZSA-N 1 0 337.395 3.037 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCC[C@H]2CC2(Cl)Cl)cc1 ZINC000844276593 1321584258 /nfs/dbraw/zinc/58/42/58/1321584258.db2.gz GWAYUIJEZFFFEM-WCQYABFASA-N 1 0 333.215 3.192 20 5 EGBDRO COCC[N@H+](CC(C)C)Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000848475321 1321961477 /nfs/dbraw/zinc/96/14/77/1321961477.db2.gz LWZZPEQTMJVFGK-UHFFFAOYSA-N 1 0 332.404 3.020 20 5 EGBDRO C[C@@H](CNC(=O)OC(C)(C)C)C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000848534949 1321971336 /nfs/dbraw/zinc/97/13/36/1321971336.db2.gz BMXQXOXPAAXELM-DOMZBBRYSA-N 1 0 349.431 3.333 20 5 EGBDRO CC(C)(C)OC(=O)N1CC(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000848536701 1321971671 /nfs/dbraw/zinc/97/16/71/1321971671.db2.gz UGCSADCZUQRYCF-HNNXBMFYSA-N 1 0 347.415 3.039 20 5 EGBDRO O=C(OCc1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000848776420 1322007255 /nfs/dbraw/zinc/00/72/55/1322007255.db2.gz ZUXZIDHNEXMPRG-QGZVFWFLSA-N 1 0 340.379 3.160 20 5 EGBDRO COC(=O)/C=C\c1ccc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)o1 ZINC000848909159 1322042030 /nfs/dbraw/zinc/04/20/30/1322042030.db2.gz MFDCTROCFARDFC-HJWRWDBZSA-N 1 0 344.367 3.049 20 5 EGBDRO C[C@@H]1CCCN(C(=[NH2+])NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000849109502 1322082294 /nfs/dbraw/zinc/08/22/94/1322082294.db2.gz VAGHIDWAFXHBOG-SNVBAGLBSA-N 1 0 344.337 3.370 20 5 EGBDRO O=[N+]([O-])c1cc(I)cc(C[NH2+][C@@H]2C=CCC2)c1 ZINC000850359553 1322233361 /nfs/dbraw/zinc/23/33/61/1322233361.db2.gz KKOPQRMVFTZSHG-LLVKDONJSA-N 1 0 344.152 3.008 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC000850424523 1322244875 /nfs/dbraw/zinc/24/48/75/1322244875.db2.gz JSKIQWDWVQDPAM-MEDUHNTESA-N 1 0 334.347 3.127 20 5 EGBDRO Cc1cc(Cc2noc([C@H]3CCCN3C(C)C)n2)ccc1[N+](=O)[O-] ZINC000923946677 1322853412 /nfs/dbraw/zinc/85/34/12/1322853412.db2.gz QSNLYUBUBUTJHQ-OAHLLOKOSA-N 1 0 330.388 3.422 20 5 EGBDRO C[N@@H+]1CCC[C@@H]2CN(c3ccc(C(F)F)cc3[N+](=O)[O-])CC[C@H]21 ZINC000853449609 1325094772 /nfs/dbraw/zinc/09/47/72/1325094772.db2.gz SVXKFUMCBWAYGT-CHWSQXEVSA-N 1 0 325.359 3.453 20 5 EGBDRO CC(C)n1cc([C@@H](C)[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)nn1 ZINC000925468007 1325163725 /nfs/dbraw/zinc/16/37/25/1325163725.db2.gz XZHSAVNAMIZORD-CQSZACIVSA-N 1 0 331.420 3.441 20 5 EGBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000855813330 1325419197 /nfs/dbraw/zinc/41/91/97/1325419197.db2.gz ZJEYRTMWQMNOHF-ZDUSSCGKSA-N 1 0 349.406 3.179 20 5 EGBDRO CCC[N@@H+]1CC[C@@H](NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000856073376 1325444538 /nfs/dbraw/zinc/44/45/38/1325444538.db2.gz OICBYKOFDYHIPA-SNVBAGLBSA-N 1 0 346.214 3.116 20 5 EGBDRO Cc1ccc(NCC[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])nc1 ZINC000927071227 1327841588 /nfs/dbraw/zinc/84/15/88/1327841588.db2.gz RLYLJXVWLJRKST-ZDUSSCGKSA-N 1 0 332.379 3.070 20 5 EGBDRO C[C@@H](NC(=O)C[C@H](c1ccccc1)[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000928244709 1328252023 /nfs/dbraw/zinc/25/20/23/1328252023.db2.gz DGULYDIBQNZKNB-RDTXWAMCSA-N 1 0 341.411 3.465 20 5 EGBDRO Cc1ccc(NC(=O)N2CCCC3(CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000929119013 1328510371 /nfs/dbraw/zinc/51/03/71/1328510371.db2.gz VFQVHPVKYQGMEB-UHFFFAOYSA-N 1 0 346.431 3.243 20 5 EGBDRO CC1CC[NH+](CCCCNc2cc(F)c([N+](=O)[O-])cc2CO)CC1 ZINC000865444938 1329698242 /nfs/dbraw/zinc/69/82/42/1329698242.db2.gz GUAVERILCNNDBP-UHFFFAOYSA-N 1 0 339.411 3.150 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CC[C@H](C[NH+]3CCCC3)C2)c(C(F)F)c1 ZINC000865551168 1329712721 /nfs/dbraw/zinc/71/27/21/1329712721.db2.gz XOKNSKFTIPJRCY-GFCCVEGCSA-N 1 0 325.359 3.455 20 5 EGBDRO C[C@H]1CN(c2ccc([N+](=O)[O-])cc2C(F)F)CC[N@@H+](C2CC2)C1 ZINC000865839835 1329744079 /nfs/dbraw/zinc/74/40/79/1329744079.db2.gz VBHXQDUEYGADOU-LLVKDONJSA-N 1 0 325.359 3.453 20 5 EGBDRO C[C@@H]([NH2+][C@H](c1ccccn1)C1CC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000932375890 1329809589 /nfs/dbraw/zinc/80/95/89/1329809589.db2.gz AGUURYNOLAHKOV-PXAZEXFGSA-N 1 0 340.383 3.058 20 5 EGBDRO CC(C)(C)OC(=O)NCC[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000932703193 1329835853 /nfs/dbraw/zinc/83/58/53/1329835853.db2.gz LNZYTVAKLFMXAH-HNNXBMFYSA-N 1 0 349.431 3.332 20 5 EGBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000933621334 1329906661 /nfs/dbraw/zinc/90/66/61/1329906661.db2.gz AGCFMYNIXJIWSO-CGTJXYLNSA-N 1 0 345.443 3.031 20 5 EGBDRO CC(C)[NH+]1CCC(CCNc2cc(F)c([N+](=O)[O-])cc2CO)CC1 ZINC000866085193 1330063906 /nfs/dbraw/zinc/06/39/06/1330063906.db2.gz NDRYTRWDGMWYKY-UHFFFAOYSA-N 1 0 339.411 3.149 20 5 EGBDRO C[C@@H](C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)CC1(C)OCCO1 ZINC000866425226 1330110081 /nfs/dbraw/zinc/11/00/81/1330110081.db2.gz KIVXYBFTKPRUOA-DYVFJYSZSA-N 1 0 334.416 3.351 20 5 EGBDRO C[C@]1([NH3+])CCN(C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)C1 ZINC000868078063 1330246628 /nfs/dbraw/zinc/24/66/28/1330246628.db2.gz IITWCYBHPMRBHH-KRWDZBQOSA-N 1 0 349.456 3.193 20 5 EGBDRO C[C@H]1C[NH2+]CCC[C@@H]1Oc1cc(F)c(Br)cc1[N+](=O)[O-] ZINC001217989901 1373527916 /nfs/dbraw/zinc/52/79/16/1373527916.db2.gz RJHSSJYSAQKOOA-UFBFGSQYSA-N 1 0 347.184 3.263 20 5 EGBDRO CCC(C)(C)C(=O)N1CC2(C1)CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C2 ZINC001072933043 1355505073 /nfs/dbraw/zinc/50/50/73/1355505073.db2.gz GZUZYLSPKDFRKB-UHFFFAOYSA-N 1 0 345.443 3.065 20 5 EGBDRO CC(C)c1ccc(C[N@H+](C)Cc2ccc(C(N)=O)cc2)cc1[N+](=O)[O-] ZINC001323793494 1387454477 /nfs/dbraw/zinc/45/44/77/1387454477.db2.gz JALRAFHRSAIRRF-UHFFFAOYSA-N 1 0 341.411 3.449 20 5 EGBDRO CN(Cc1c2ccccc2cc2ccccc21)C(=O)C[N@@H+]1CC[C@@H](O)C1 ZINC001186044662 1387854720 /nfs/dbraw/zinc/85/47/20/1387854720.db2.gz HTUVKQWBDXNSQU-GOSISDBHSA-N 1 0 348.446 3.018 20 5 EGBDRO CCC[N@@H+]1CCc2c(N)sc(Nc3cc(O)cc([N+](=O)[O-])c3)c2C1 ZINC001199828809 1369278521 /nfs/dbraw/zinc/27/85/21/1369278521.db2.gz UFQYDHSWRFKUNT-UHFFFAOYSA-N 1 0 348.428 3.456 20 5 EGBDRO O=C(CC1CC1)NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CCCCC1 ZINC001115377796 1370417278 /nfs/dbraw/zinc/41/72/78/1370417278.db2.gz CCQKJJXABUEESR-UHFFFAOYSA-N 1 0 345.443 3.304 20 5 EGBDRO [NH3+]C[C@]1(F)CCCCN(Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001206363657 1371034213 /nfs/dbraw/zinc/03/42/13/1371034213.db2.gz ZBHWRSZGQUAOPZ-HXUWFJFHSA-N 1 0 338.430 3.436 20 5 EGBDRO COc1ncc(Nc2c[nH+]ccc2N2CCCCC2)cc1[N+](=O)[O-] ZINC001210137411 1372278684 /nfs/dbraw/zinc/27/86/84/1372278684.db2.gz YKTUNSNTQUQXGP-UHFFFAOYSA-N 1 0 329.360 3.127 20 5 EGBDRO C[NH+]1CCN(c2ccccc2Nc2ccc(F)c([N+](=O)[O-])c2)CC1 ZINC001211192643 1372497729 /nfs/dbraw/zinc/49/77/29/1372497729.db2.gz GMUUWNRJHKSYTI-UHFFFAOYSA-N 1 0 330.363 3.229 20 5 EGBDRO CCOC(=O)c1cc(Nc2c[nH+]c3cccc(C)n23)cc([N+](=O)[O-])c1 ZINC001211369732 1372542010 /nfs/dbraw/zinc/54/20/10/1372542010.db2.gz LMEMKYUTPHJVRH-UHFFFAOYSA-N 1 0 340.339 3.471 20 5 EGBDRO c1cnc2c(c1)ccc1ccc(-c3noc([C@@H]4C[NH2+]CC45CC5)n3)nc12 ZINC001212248698 1372678891 /nfs/dbraw/zinc/67/88/91/1372678891.db2.gz CJXDTOFIQLZSTG-AWEZNQCLSA-N 1 0 343.390 3.300 20 5 EGBDRO c1cnc2c(c1)ccc1ccc(-c3noc([C@H]4C[NH2+]CC45CC5)n3)nc12 ZINC001212248699 1372679056 /nfs/dbraw/zinc/67/90/56/1372679056.db2.gz CJXDTOFIQLZSTG-CQSZACIVSA-N 1 0 343.390 3.300 20 5 EGBDRO CCCCCCc1nnc(C[C@H]([NH3+])Cc2ccc([N+](=O)[O-])cc2)o1 ZINC001217716564 1373493607 /nfs/dbraw/zinc/49/36/07/1373493607.db2.gz JYCRYMIRIAOZFN-CQSZACIVSA-N 1 0 332.404 3.213 20 5 EGBDRO C[C@H]1C[NH2+]CCC[C@H]1Oc1c(Br)c(F)ccc1[N+](=O)[O-] ZINC001217994742 1373529399 /nfs/dbraw/zinc/52/93/99/1373529399.db2.gz UXNQSSFSCPYZHC-GZMMTYOYSA-N 1 0 347.184 3.263 20 5 EGBDRO C[C@@H]1C[NH2+]CCC[C@@H]1Oc1c(F)cc([N+](=O)[O-])cc1Br ZINC001217992596 1373529705 /nfs/dbraw/zinc/52/97/05/1373529705.db2.gz SFYJHEDTEDMQKY-PELKAZGASA-N 1 0 347.184 3.263 20 5 EGBDRO C[C@H]1C[NH2+]CCC[C@H]1Oc1c(Br)cc(F)cc1[N+](=O)[O-] ZINC001217995783 1373530127 /nfs/dbraw/zinc/53/01/27/1373530127.db2.gz YWRNZCNVXJSKOE-QPUJVOFHSA-N 1 0 347.184 3.263 20 5 EGBDRO C[C@@H](Oc1cc([N+](=O)[O-])c(Br)cc1F)C1CC[NH2+]CC1 ZINC001218005651 1373533673 /nfs/dbraw/zinc/53/36/73/1373533673.db2.gz LHTRISGWQSOHFA-MRVPVSSYSA-N 1 0 347.184 3.263 20 5 EGBDRO C[C@@H]1CC[NH2+]C[C@H]1Oc1ccc2c(c1)oc1cc(O)ccc1c2=O ZINC001218043355 1373546750 /nfs/dbraw/zinc/54/67/50/1373546750.db2.gz GSWHPWIAELXDSN-ADLMAVQZSA-N 1 0 325.364 3.029 20 5 EGBDRO O=[N+]([O-])c1cc(Br)cc(O[C@H]2CCC[C@]23CC[NH2+]C3)c1 ZINC001218098878 1373559895 /nfs/dbraw/zinc/55/98/95/1373559895.db2.gz XACNHNDHOGKCSO-UONOGXRCSA-N 1 0 341.205 3.268 20 5 EGBDRO O=[N+]([O-])c1ccc(O[C@@H]2CCC[C@@]23CC[NH2+]C3)cc1Br ZINC001218097277 1373560196 /nfs/dbraw/zinc/56/01/96/1373560196.db2.gz WLARBFKFHLYCSU-KGLIPLIRSA-N 1 0 341.205 3.268 20 5 EGBDRO O=[N+]([O-])c1ccc(OC2CC3(C2)CC[NH2+]CC3)c(Br)c1 ZINC001218103142 1373561494 /nfs/dbraw/zinc/56/14/94/1373561494.db2.gz PYTUOMLPOMVODS-UHFFFAOYSA-N 1 0 341.205 3.268 20 5 EGBDRO Cc1cc(Br)cc([N+](=O)[O-])c1O[C@@H]1CC[C@]12CC[NH2+]C2 ZINC001218121986 1373564737 /nfs/dbraw/zinc/56/47/37/1373564737.db2.gz YSNBOYUQUYVELS-TZMCWYRMSA-N 1 0 341.205 3.187 20 5 EGBDRO CC(C)(C)c1cc([N+](=O)[O-])c(O[C@H]2C[C@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])c1 ZINC001218133398 1373566586 /nfs/dbraw/zinc/56/65/86/1373566586.db2.gz CCDZFPWUGKERPE-PTEHBNRSSA-N 1 0 349.387 3.177 20 5 EGBDRO Cc1c(Cl)cc([N+](=O)[O-])c(O[C@H]2CCC[NH2+]C2)c1Br ZINC001218283182 1373588837 /nfs/dbraw/zinc/58/88/37/1373588837.db2.gz GRNUJVWKJMWTSN-QMMMGPOBSA-N 1 0 349.612 3.450 20 5 EGBDRO CC1(C)C[C@H](Oc2ccc(Br)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC001218470920 1373619990 /nfs/dbraw/zinc/61/99/90/1373619990.db2.gz YUHHUNNVXUMJQT-SNVBAGLBSA-N 1 0 329.194 3.267 20 5 EGBDRO CC1(C)C[C@H](Oc2cccc([N+](=O)[O-])c2Br)CC[NH2+]1 ZINC001218471715 1373620627 /nfs/dbraw/zinc/62/06/27/1373620627.db2.gz ARLKAEVZCHZDTB-SECBINFHSA-N 1 0 329.194 3.267 20 5 EGBDRO CC1(C)C[C@@H](Oc2cc([N+](=O)[O-])cc(F)c2Br)CC[NH2+]1 ZINC001218473868 1373620645 /nfs/dbraw/zinc/62/06/45/1373620645.db2.gz AOOYGHOPYGHFPX-VIFPVBQESA-N 1 0 347.184 3.406 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)cc(Br)c1O[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001218477838 1373621652 /nfs/dbraw/zinc/62/16/52/1373621652.db2.gz ODEVPMULKSYKMN-JVUFJMBOSA-N 1 0 347.596 3.282 20 5 EGBDRO CCCC[C@H]([NH2+]C)C(=O)Nc1cc2nc3ccccc3nc2cc1N ZINC001218857664 1373662208 /nfs/dbraw/zinc/66/22/08/1373662208.db2.gz NPPYZCVZIDGPJV-HNNXBMFYSA-N 1 0 337.427 3.082 20 5 EGBDRO Cc1ccnc(OC2CC[NH+](CCc3ccccc3)CC2)c1[N+](=O)[O-] ZINC001226118506 1375206567 /nfs/dbraw/zinc/20/65/67/1375206567.db2.gz LLYKJNSSUJVRGG-UHFFFAOYSA-N 1 0 341.411 3.384 20 5 EGBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(CC(=O)Nc2ccc(F)cc2)cc1 ZINC001226246784 1375226377 /nfs/dbraw/zinc/22/63/77/1375226377.db2.gz QFRSKVDZEMQVAF-OAHLLOKOSA-O 1 0 345.438 3.480 20 5 EGBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(Br)cc1-c1cc[nH]n1 ZINC001226484147 1375266240 /nfs/dbraw/zinc/26/62/40/1375266240.db2.gz YSGAWJCLEMURBG-LLVKDONJSA-N 1 0 339.257 3.313 20 5 EGBDRO C[N@@H+]1CCC[C@H](Oc2cc([N+](=O)[O-])ccc2Br)CC1 ZINC001226583593 1375286368 /nfs/dbraw/zinc/28/63/68/1375286368.db2.gz ZXQGTYYQLYTEDN-NSHDSACASA-N 1 0 329.194 3.220 20 5 EGBDRO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1Oc1ncc(F)cc1[N+](=O)[O-] ZINC001226755937 1375326150 /nfs/dbraw/zinc/32/61/50/1375326150.db2.gz NHRZLKJEMSTTRF-DYVFJYSZSA-N 1 0 345.374 3.418 20 5 EGBDRO C[C@@H](c1ccccn1)[N@@H+]1CC[C@@H](Oc2cc(Cl)c([N+](=O)[O-])cn2)C1 ZINC001226916046 1375356151 /nfs/dbraw/zinc/35/61/51/1375356151.db2.gz WYAYRVCFSDLGPH-NWDGAFQWSA-N 1 0 348.790 3.253 20 5 EGBDRO COC(=O)c1ccc([N+](=O)[O-])c(OC2CC[NH+](C(C)(C)C)CC2)c1 ZINC001227043836 1375381540 /nfs/dbraw/zinc/38/15/40/1375381540.db2.gz HXJZIXMGSICYKY-UHFFFAOYSA-N 1 0 336.388 3.023 20 5 EGBDRO Cc1ccc(O[C@H]2CCC[N@@H+]([C@H](C)c3ccccn3)C2)c([N+](=O)[O-])n1 ZINC001227223903 1375408725 /nfs/dbraw/zinc/40/87/25/1375408725.db2.gz QXNSVEBSLWJKSC-CABCVRRESA-N 1 0 342.399 3.298 20 5 EGBDRO C[N@@H+]1CCC[C@H](Oc2cc(F)c(Br)cc2[N+](=O)[O-])CC1 ZINC001227287591 1375416204 /nfs/dbraw/zinc/41/62/04/1375416204.db2.gz UDWBTUGYQOAMHB-VIFPVBQESA-N 1 0 347.184 3.360 20 5 EGBDRO C[C@H](Oc1ccccc1[N+](=O)[O-])[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001227479695 1375435857 /nfs/dbraw/zinc/43/58/57/1375435857.db2.gz HXQSPXVSZMQACN-KXBFYZLASA-N 1 0 342.395 3.263 20 5 EGBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](C3CC3)CC2)cc1Br ZINC001229084737 1375759838 /nfs/dbraw/zinc/75/98/38/1375759838.db2.gz BIYCGHHGHBFDOB-UHFFFAOYSA-N 1 0 341.205 3.363 20 5 EGBDRO Cc1cc(O)c(O[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC001229750188 1375885939 /nfs/dbraw/zinc/88/59/39/1375885939.db2.gz LAYNNLZGXVEOEN-HNNXBMFYSA-N 1 0 328.368 3.262 20 5 EGBDRO C[C@@H](C[N+](C)(C)C)Oc1ncnc2sc(CC(F)(F)F)cc21 ZINC001231378067 1376231806 /nfs/dbraw/zinc/23/18/06/1376231806.db2.gz GIQWNNFQAXQIEN-VIFPVBQESA-N 1 0 334.387 3.270 20 5 EGBDRO C[C@H](C[N+](C)(C)C)Oc1cccc(CC(=O)OCc2ccccc2)c1 ZINC001234362369 1376820002 /nfs/dbraw/zinc/82/00/02/1376820002.db2.gz OUDHEPSVZIRJAK-QGZVFWFLSA-N 1 0 342.459 3.446 20 5 EGBDRO Cc1ccc(Cl)cc1C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001135499418 1377119572 /nfs/dbraw/zinc/11/95/72/1377119572.db2.gz PURRXQRSLGBBIE-UHFFFAOYSA-N 1 0 347.802 3.076 20 5 EGBDRO CC[N@@H+]1C[C@H](C)N(c2ncnc3c(Cl)cc([N+](=O)[O-])cc32)C[C@@H]1C ZINC001327688388 1388583585 /nfs/dbraw/zinc/58/35/85/1388583585.db2.gz PBQVOBOFOORILG-QWRGUYRKSA-N 1 0 349.822 3.110 20 5 EGBDRO O=C(CC1CCCCC1)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001154406315 1380271456 /nfs/dbraw/zinc/27/14/56/1380271456.db2.gz GKLBULFKSWUWSY-UHFFFAOYSA-N 1 0 333.432 3.161 20 5 EGBDRO C[C@@H]1C[NH2+]CCC[C@@H]1CNc1nc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001155022878 1380393222 /nfs/dbraw/zinc/39/32/22/1380393222.db2.gz BTMPPHHXDLPAFN-RKDXNWHRSA-N 1 0 333.219 3.344 20 5 EGBDRO O=[N+]([O-])c1ccc2c(ccnc2N[C@H]2C[NH2+]Cc3ccsc32)c1 ZINC001155570621 1380469501 /nfs/dbraw/zinc/46/95/01/1380469501.db2.gz NVMHBWZLKYWNRK-AWEZNQCLSA-N 1 0 326.381 3.461 20 5 EGBDRO c1cnc2c(c1)ccc1ccc(N[C@H]3CCO[C@@]4(CC[NH2+]C4)C3)nc12 ZINC001155617467 1380474376 /nfs/dbraw/zinc/47/43/76/1380474376.db2.gz IUTOCBUUZDYFHY-JXFKEZNVSA-N 1 0 334.423 3.106 20 5 EGBDRO COc1nc(NC[C@@H](c2ccccc2)[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC001156529233 1380588713 /nfs/dbraw/zinc/58/87/13/1380588713.db2.gz DZFGXVYEGVYPGJ-INIZCTEOSA-N 1 0 342.399 3.247 20 5 EGBDRO CC(C)[N@H+](C)[C@@H]1CCN(c2nc(Cl)c(Cl)cc2[N+](=O)[O-])C1 ZINC001157010562 1380751206 /nfs/dbraw/zinc/75/12/06/1380751206.db2.gz SBEPTTBEJHYAJD-SECBINFHSA-N 1 0 333.219 3.216 20 5 EGBDRO C[NH2+]CCN(c1cc2ncnc(Cl)c2cc1[N+](=O)[O-])C(C)(C)C ZINC001157825406 1381044082 /nfs/dbraw/zinc/04/40/82/1381044082.db2.gz HCZGLKAPTPUDKT-UHFFFAOYSA-N 1 0 337.811 3.016 20 5 EGBDRO C[NH2+]CCN(C(C)(C)C)C(F)(F)c1cc([N+](=O)[O-])cnc1Cl ZINC001157829285 1381046257 /nfs/dbraw/zinc/04/62/57/1381046257.db2.gz BCPDJYZKRXXVCF-UHFFFAOYSA-N 1 0 336.770 3.012 20 5 EGBDRO Cc1cc(-n2ncc3c2cccc3C[NH3+])nc2ccc([N+](=O)[O-])cc12 ZINC001158307650 1381193638 /nfs/dbraw/zinc/19/36/38/1381193638.db2.gz FYFSZERPISYQLI-UHFFFAOYSA-N 1 0 333.351 3.249 20 5 EGBDRO O=C(CC1CC1)NCCC1=CC[N@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001159034180 1381526504 /nfs/dbraw/zinc/52/65/04/1381526504.db2.gz XEFFEDDLUCQKMK-UHFFFAOYSA-N 1 0 343.427 3.033 20 5 EGBDRO CCOC(=O)c1cc(Nc2ccc(CC[NH3+])cc2)cc([N+](=O)[O-])c1 ZINC001159640390 1381856367 /nfs/dbraw/zinc/85/63/67/1381856367.db2.gz RMCFFKQISNARPT-UHFFFAOYSA-N 1 0 329.356 3.016 20 5 EGBDRO [NH3+][C@@H]1CCN(c2cccc(F)c2Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC001160072232 1381990466 /nfs/dbraw/zinc/99/04/66/1381990466.db2.gz YNPGBHULFUWZFF-LLVKDONJSA-N 1 0 334.326 3.154 20 5 EGBDRO C[C@H](C[NH3+])CN(Cc1ccccc1)c1ccc2[nH]cc([N+](=O)[O-])c2n1 ZINC001160666480 1382165544 /nfs/dbraw/zinc/16/55/44/1382165544.db2.gz YJDVYCYPOLQZJI-CYBMUJFWSA-N 1 0 339.399 3.073 20 5 EGBDRO O=[N+]([O-])c1cccc2ccc(N[C@@H]3CC[NH2+]C[C@@H]3C(F)(F)F)nc21 ZINC001160740515 1382183404 /nfs/dbraw/zinc/18/34/04/1382183404.db2.gz OTAGGNGLIATJMK-WDEREUQCSA-N 1 0 340.305 3.095 20 5 EGBDRO O=[N+]([O-])c1ccc2c(ccnc2NCC[NH+]2CCC(F)(F)CC2)c1 ZINC001160753671 1382187560 /nfs/dbraw/zinc/18/75/60/1382187560.db2.gz RNXSKUBIGUBVIN-UHFFFAOYSA-N 1 0 336.342 3.286 20 5 EGBDRO Cc1cc([N+](=O)[O-])cnc1NC1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC001161129921 1382312634 /nfs/dbraw/zinc/31/26/34/1382312634.db2.gz IVUFSLVAYSJXAW-UHFFFAOYSA-N 1 0 342.399 3.080 20 5 EGBDRO O=[N+]([O-])c1cccc(NCC2CC[NH+](Cc3ccccc3F)CC2)n1 ZINC001161193444 1382336793 /nfs/dbraw/zinc/33/67/93/1382336793.db2.gz KZFGVBSWKNVQLC-UHFFFAOYSA-N 1 0 344.390 3.453 20 5 EGBDRO O=[N+]([O-])c1cccc(N[C@H](c2cccc(F)c2)C2CC[NH2+]CC2)n1 ZINC001161820358 1382519457 /nfs/dbraw/zinc/51/94/57/1382519457.db2.gz KDWJFVNXYUQKCC-KRWDZBQOSA-N 1 0 330.363 3.282 20 5 EGBDRO O=[N+]([O-])c1cnc(N[C@H](c2cccc(F)c2)C2CC[NH2+]CC2)c(F)c1 ZINC001161821710 1382520465 /nfs/dbraw/zinc/52/04/65/1382520465.db2.gz CPQBTHUHADUUKG-INIZCTEOSA-N 1 0 348.353 3.421 20 5 EGBDRO COc1cc([N+](=O)[O-])cnc1N(CC[NH3+])c1cccc2ccccc21 ZINC001161999925 1382595005 /nfs/dbraw/zinc/59/50/05/1382595005.db2.gz YFHWSADTNWCTOK-UHFFFAOYSA-N 1 0 338.367 3.248 20 5 EGBDRO [NH3+]CCN(c1cc([N+](=O)[O-])c2nccn2c1)c1cccc2ccccc21 ZINC001162005448 1382597004 /nfs/dbraw/zinc/59/70/04/1382597004.db2.gz MRXZLHKNUVSEJF-UHFFFAOYSA-N 1 0 347.378 3.493 20 5 EGBDRO Cc1ccc2c(ccnc2NC[C@@H]2CCC[NH2+]C[C@H]2C)c1[N+](=O)[O-] ZINC001162452128 1382760318 /nfs/dbraw/zinc/76/03/18/1382760318.db2.gz BDZOXTBFNYOWAG-KGLIPLIRSA-N 1 0 328.416 3.499 20 5 EGBDRO Cc1ccc2c(ccnc2NC[C@H]2CCC[NH2+]C[C@@H]2C)c1[N+](=O)[O-] ZINC001162452129 1382760325 /nfs/dbraw/zinc/76/03/25/1382760325.db2.gz BDZOXTBFNYOWAG-UONOGXRCSA-N 1 0 328.416 3.499 20 5 EGBDRO O=[N+]([O-])c1cc(N[C@H]2CCCC[C@@]23C[NH2+]CCO3)cc2ccccc21 ZINC001163653895 1383095687 /nfs/dbraw/zinc/09/56/87/1383095687.db2.gz RPUDPCSIKQUNKY-RBUKOAKNSA-N 1 0 341.411 3.461 20 5 EGBDRO Cc1c(C)c(N2CC[N@@H+](C)C[C@@H]2c2ccccc2)ncc1[N+](=O)[O-] ZINC001163671932 1383102146 /nfs/dbraw/zinc/10/21/46/1383102146.db2.gz HTUVTHXDWVYPSH-QGZVFWFLSA-N 1 0 326.400 3.100 20 5 EGBDRO Cc1c(C)n(-c2ncc(F)c(C)c2[N+](=O)[O-])c2ccc(C[NH3+])cc12 ZINC001163755780 1383118180 /nfs/dbraw/zinc/11/81/80/1383118180.db2.gz KYSATUWIPUHJLD-UHFFFAOYSA-N 1 0 328.347 3.457 20 5 EGBDRO C[C@H]1CC[C@@H](C[NH3+])N(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)C1 ZINC001164077879 1383153548 /nfs/dbraw/zinc/15/35/48/1383153548.db2.gz KXYZJJTVQAWEKP-WFASDCNBSA-N 1 0 344.390 3.360 20 5 EGBDRO CCCC(C)(C)C(=O)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001165582313 1383312632 /nfs/dbraw/zinc/31/26/32/1383312632.db2.gz TWOQCAQXDCUWNF-UHFFFAOYSA-N 1 0 327.450 3.079 20 5 EGBDRO CC1(C(=O)NCCC2(C[NH2+]Cc3ccc([N+](=O)[O-])cc3)CC2)CCC1 ZINC001166614189 1383447130 /nfs/dbraw/zinc/44/71/30/1383447130.db2.gz OJXLWXKXDJPBHZ-UHFFFAOYSA-N 1 0 345.443 3.161 20 5 EGBDRO C[NH2+]Cc1c(C)nn(-c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)c1C ZINC001167100109 1383539270 /nfs/dbraw/zinc/53/92/70/1383539270.db2.gz PUAHXWNNWAUHSU-UHFFFAOYSA-N 1 0 337.383 3.179 20 5 EGBDRO c1cnc2c(c1)cc(NCC1([NH+]3CCCC3)COC1)c1cccnc12 ZINC001168447280 1383908711 /nfs/dbraw/zinc/90/87/11/1383908711.db2.gz FEDNIWKQCSLEMW-UHFFFAOYSA-N 1 0 334.423 3.060 20 5 EGBDRO CC(C)CCCCC(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001168715892 1383978771 /nfs/dbraw/zinc/97/87/71/1383978771.db2.gz ZNCQEPRSPSUIIM-UHFFFAOYSA-N 1 0 335.448 3.407 20 5 EGBDRO CC[C@@H]([NH2+]CCOC(=O)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC001307634095 1384005967 /nfs/dbraw/zinc/00/59/67/1384005967.db2.gz YFOBGOUQZPNXQZ-GOSISDBHSA-N 1 0 342.395 3.421 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2cc(F)cc(Br)c2)C1 ZINC001168956374 1384070658 /nfs/dbraw/zinc/07/06/58/1384070658.db2.gz DSVQCVIDJQUERU-ZANVPECISA-N 1 0 331.185 3.123 20 5 EGBDRO Cc1ccc(F)c(CN2CCC([NH2+][C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)c1 ZINC001168990888 1384080912 /nfs/dbraw/zinc/08/09/12/1384080912.db2.gz FGJDRFNTXJYIPQ-CRAIPNDOSA-N 1 0 349.450 3.134 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+][C@@H](c2ccccc2)[C@@H](O)c2ccccc2)C1 ZINC001168997076 1384081777 /nfs/dbraw/zinc/08/17/77/1384081777.db2.gz XKERKSDGZFXBHR-LDTOTXGLSA-N 1 0 340.423 3.496 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2ccc(OCC3CCOCC3)cc2)C1 ZINC001168998676 1384082783 /nfs/dbraw/zinc/08/27/83/1384082783.db2.gz PTEXGLVWFFYGFQ-ZWKOTPCHSA-N 1 0 348.443 3.027 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CC2(Cc3ccccc3)CCOCC2)C1 ZINC001168998197 1384082940 /nfs/dbraw/zinc/08/29/40/1384082940.db2.gz JMPYNLAQRCLCSE-ROUUACIJSA-N 1 0 332.444 3.061 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CCc2cc(Br)cs2)C1 ZINC001169003640 1384085167 /nfs/dbraw/zinc/08/51/67/1384085167.db2.gz OVEUGNMQCZCNJS-GXSJLCMTSA-N 1 0 333.251 3.088 20 5 EGBDRO Cc1cc([C@H](C)[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)ncc1Br ZINC001169006928 1384086055 /nfs/dbraw/zinc/08/60/55/1384086055.db2.gz ZTEXBDQGUVMJMD-SRVKXCTJSA-N 1 0 342.237 3.249 20 5 EGBDRO COc1cccc(-c2nc(C[NH2+][C@H]3CC[C@@H](C[N+](=O)[O-])C3)cs2)c1 ZINC001169008718 1384087297 /nfs/dbraw/zinc/08/72/97/1384087297.db2.gz UJAKANHKPOSKCY-OCCSQVGLSA-N 1 0 347.440 3.354 20 5 EGBDRO C[C@@H]1C[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)[C@@H](C)CN1Cc1ccccc1 ZINC001169010150 1384088478 /nfs/dbraw/zinc/08/84/78/1384088478.db2.gz YXIDELSPCXKCLP-JFRXWTBNSA-N 1 0 331.460 3.027 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2C[C@H]3CCC[C@@]3(COc3cccnc3)C2)C1 ZINC001169025256 1384092122 /nfs/dbraw/zinc/09/21/22/1384092122.db2.gz SYSVKVIESPKMQP-ZMMAXQRCSA-N 1 0 345.443 3.008 20 5 EGBDRO COc1ccc([C@@H]2CCC[N@@H+]2[C@H]2CC[C@H](C[N+](=O)[O-])C2)cc1OC ZINC001169030308 1384094432 /nfs/dbraw/zinc/09/44/32/1384094432.db2.gz YKPWXZZGAJIVHU-BPUTZDHNSA-N 1 0 334.416 3.286 20 5 EGBDRO COc1ccc([C@@H]2CSCC[N@@H+]2[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001169034224 1384094865 /nfs/dbraw/zinc/09/48/65/1384094865.db2.gz GDFHKDZXXZENHH-UNEWFSDZSA-N 1 0 336.457 3.231 20 5 EGBDRO COc1cccc(C[C@@H]2CCC[N@@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)c1 ZINC001169050006 1384100758 /nfs/dbraw/zinc/10/07/58/1384100758.db2.gz XVONBSVZIOXOTG-KSZLIROESA-N 1 0 332.444 3.395 20 5 EGBDRO CN1Cc2cc(N[C@@H]3CC(C)(C)C[C@@](C)(C[NH3+])C3)cc([N+](=O)[O-])c2N1 ZINC001169145214 1384114360 /nfs/dbraw/zinc/11/43/60/1384114360.db2.gz CSAOHFYMZBKRSN-KDOFPFPSSA-N 1 0 347.463 3.323 20 5 EGBDRO CC1(C)C[C@@H](Nc2cc([N+](=O)[O-])c3nccn3c2)C[C@@](C)(C[NH3+])C1 ZINC001169146466 1384114961 /nfs/dbraw/zinc/11/49/61/1384114961.db2.gz QYAQYQWTMPUHSU-CXAGYDPISA-N 1 0 331.420 3.198 20 5 EGBDRO CC(C)[C@@H](Nc1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-])c1ccc(F)cc1 ZINC001170063018 1384226887 /nfs/dbraw/zinc/22/68/87/1384226887.db2.gz JNXMEUAYICXDGG-CQSZACIVSA-N 1 0 345.378 3.020 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+]Cc2ccnc(Cl)c2)c([N+](=O)[O-])c1 ZINC001170299262 1384285168 /nfs/dbraw/zinc/28/51/68/1384285168.db2.gz UFCZMDASMDIPQI-NSHDSACASA-N 1 0 335.791 3.373 20 5 EGBDRO CCCCN(CC)CC[NH2+][C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170297885 1384285341 /nfs/dbraw/zinc/28/53/41/1384285341.db2.gz VDKADNJGGYZTJT-OAHLLOKOSA-N 1 0 337.464 3.246 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+][C@@H](C(C)=O)c2ccccc2)c([N+](=O)[O-])c1 ZINC001170307051 1384287299 /nfs/dbraw/zinc/28/72/99/1384287299.db2.gz CUZUXMYZEKILSL-DJJJIMSYSA-N 1 0 342.395 3.454 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2cccc3ncoc32)c([N+](=O)[O-])c1 ZINC001170312233 1384288252 /nfs/dbraw/zinc/28/82/52/1384288252.db2.gz FJHUIMACXWYURY-GFCCVEGCSA-N 1 0 341.367 3.465 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+]CCC(=O)c2ccccc2)c([N+](=O)[O-])c1 ZINC001170315421 1384289403 /nfs/dbraw/zinc/28/94/03/1384289403.db2.gz XQOOLPJGKNBNFY-CQSZACIVSA-N 1 0 342.395 3.397 20 5 EGBDRO COC(=O)c1ccc([N+](=O)[O-])cc1NC1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001170450558 1384321985 /nfs/dbraw/zinc/32/19/85/1384321985.db2.gz AIPSIXWHZOQZEC-UHFFFAOYSA-N 1 0 349.431 3.445 20 5 EGBDRO COc1ccc([N+](=O)[O-])nc1-n1cc(C[C@@H](C)[NH3+])c2ccc(C)cc21 ZINC001171169101 1384459451 /nfs/dbraw/zinc/45/94/51/1384459451.db2.gz NQLBZUBJZNRFMD-GFCCVEGCSA-N 1 0 340.383 3.140 20 5 EGBDRO Cc1cc(C)cc(C(=O)NCCC[NH2+]Cc2csc([N+](=O)[O-])c2)c1 ZINC001171951038 1384694436 /nfs/dbraw/zinc/69/44/36/1384694436.db2.gz SPVNMNUGUMIAHE-UHFFFAOYSA-N 1 0 347.440 3.183 20 5 EGBDRO [NH3+][C@@H]1Cc2ccccc2N([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172895557 1384873731 /nfs/dbraw/zinc/87/37/31/1384873731.db2.gz FNFYNQAZLRPZET-QZTJIDSGSA-N 1 0 337.423 3.232 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]C[C@H](O)c1ccc(F)cc1)CC2 ZINC001172896318 1384873790 /nfs/dbraw/zinc/87/37/90/1384873790.db2.gz OACRHHXFAPDCOP-MJGOQNOKSA-N 1 0 344.386 3.305 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]Cc1ccc3c(c1)OCO3)CC2 ZINC001172896238 1384873941 /nfs/dbraw/zinc/87/39/41/1384873941.db2.gz BYLHPJNBJDTIFR-MRXNPFEDSA-N 1 0 340.379 3.361 20 5 EGBDRO C[C@@](O)(C[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1ccccc1 ZINC001172895319 1384874008 /nfs/dbraw/zinc/87/40/08/1384874008.db2.gz CAYUNKJVSRDHKA-UYAOXDASSA-N 1 0 340.423 3.340 20 5 EGBDRO COC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172899971 1384874305 /nfs/dbraw/zinc/87/43/05/1384874305.db2.gz ARUZFCPKAHNXPK-ZACQAIPSSA-N 1 0 346.427 3.164 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]Cc1ccc(O)cc1F)CC2 ZINC001172904340 1384874945 /nfs/dbraw/zinc/87/49/45/1384874945.db2.gz XGZJIYZWWQFJLJ-OAHLLOKOSA-N 1 0 330.359 3.477 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]CCc1ccccc1O)CC2 ZINC001172910977 1384875842 /nfs/dbraw/zinc/87/58/42/1384875842.db2.gz FPWHAURBCZTIIA-QGZVFWFLSA-N 1 0 326.396 3.380 20 5 EGBDRO O=C(C[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1)Cc1ccccc1 ZINC001172913587 1384876680 /nfs/dbraw/zinc/87/66/80/1384876680.db2.gz XJJLHTSSSBLQPD-SFHVURJKSA-N 1 0 338.407 3.244 20 5 EGBDRO O=[N+]([O-])c1cc(F)c(N2CCC([N@@H+]3CCC[C@H](F)C3)CC2)c(F)c1 ZINC001173012498 1384897875 /nfs/dbraw/zinc/89/78/75/1384897875.db2.gz FJGCLUNQFXXICX-NSHDSACASA-N 1 0 343.349 3.276 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)Nc2cccc(C[NH3+])c2)c1F ZINC001173175131 1384931778 /nfs/dbraw/zinc/93/17/78/1384931778.db2.gz AHGWDFMYKJEPNJ-LLVKDONJSA-N 1 0 333.363 3.244 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]Cc2cccnc2C)c1F ZINC001173176546 1384931785 /nfs/dbraw/zinc/93/17/85/1384931785.db2.gz JZUMEMGIYXRDIL-NSHDSACASA-N 1 0 333.363 3.167 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]Cc2cnccc2C)c1F ZINC001173180661 1384932548 /nfs/dbraw/zinc/93/25/48/1384932548.db2.gz YAWDTSADAKVURA-LBPRGKRZSA-N 1 0 333.363 3.167 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C(C)(C)CC(C)=O)c1F ZINC001173181116 1384932730 /nfs/dbraw/zinc/93/27/30/1384932730.db2.gz DDLXZLNKNYCYHX-JTQLQIEISA-N 1 0 326.368 3.021 20 5 EGBDRO CCCO[C@H]1CC[N@@H+]([C@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C1 ZINC001173190941 1384933716 /nfs/dbraw/zinc/93/37/16/1384933716.db2.gz XVVSPMOZQQNYIJ-OLZOCXBDSA-N 1 0 340.395 3.174 20 5 EGBDRO COc1ccc(CC[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)cc1OC ZINC001173211173 1384936488 /nfs/dbraw/zinc/93/64/88/1384936488.db2.gz QMMMKNBFZUGBAX-AWEZNQCLSA-N 1 0 344.411 3.375 20 5 EGBDRO Cc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)N2 ZINC001173211382 1384937174 /nfs/dbraw/zinc/93/71/74/1384937174.db2.gz RPVFILDSGCIKAV-YVEFUNNKSA-N 1 0 325.368 3.117 20 5 EGBDRO COc1cc(CC[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)cc(OC)c1 ZINC001173213693 1384937245 /nfs/dbraw/zinc/93/72/45/1384937245.db2.gz JZKPQGSSFZCXJV-AWEZNQCLSA-N 1 0 344.411 3.375 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC001173217965 1384937736 /nfs/dbraw/zinc/93/77/36/1384937736.db2.gz HXPLNBDFYZFSKR-GFCCVEGCSA-N 1 0 345.365 3.142 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2cc(CO)ccc2C1 ZINC001173220952 1384938214 /nfs/dbraw/zinc/93/82/14/1384938214.db2.gz DKNVGBWGNGYWKD-CQSZACIVSA-N 1 0 326.396 3.076 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](CCO)c1ccc(F)cc1 ZINC001173219030 1384938547 /nfs/dbraw/zinc/93/85/47/1384938547.db2.gz VGNHYFXZEHJILB-UGSOOPFHSA-N 1 0 332.375 3.378 20 5 EGBDRO CC(C)Oc1ccnc(C[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001173223043 1384938846 /nfs/dbraw/zinc/93/88/46/1384938846.db2.gz GQIGSGWKPXFZLG-CQSZACIVSA-N 1 0 329.400 3.498 20 5 EGBDRO COc1cccc(C2([NH2+][C@H](C)Cc3ccc([N+](=O)[O-])cc3)COC2)c1 ZINC001173222313 1384939114 /nfs/dbraw/zinc/93/91/14/1384939114.db2.gz WDWQYBMQKQBMAI-CQSZACIVSA-N 1 0 342.395 3.050 20 5 EGBDRO COc1ccnc(C2(C[NH2+][C@@H](C)Cc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC001173226718 1384940043 /nfs/dbraw/zinc/94/00/43/1384940043.db2.gz YXDHFLBCDVMREI-AWEZNQCLSA-N 1 0 341.411 3.251 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](Oc2cccnc2)C1 ZINC001173227550 1384940137 /nfs/dbraw/zinc/94/01/37/1384940137.db2.gz QSQKAOOYBLRPLI-BEFAXECRSA-N 1 0 341.411 3.464 20 5 EGBDRO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173230620 1384940615 /nfs/dbraw/zinc/94/06/15/1384940615.db2.gz ZEFUJJUHDKTAGE-NVXWUHKLSA-N 1 0 347.459 3.106 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(N2CCCCC2=O)CC1 ZINC001173235429 1384942246 /nfs/dbraw/zinc/94/22/46/1384942246.db2.gz WUPSATAFGRKTSR-HNNXBMFYSA-N 1 0 345.443 3.003 20 5 EGBDRO C[NH+]1CCN(Cc2ccc(Nc3cc([N+](=O)[O-])ccc3F)cc2)CC1 ZINC001175736573 1385389061 /nfs/dbraw/zinc/38/90/61/1385389061.db2.gz AMPVLIHIHWSBDQ-UHFFFAOYSA-N 1 0 344.390 3.225 20 5 EGBDRO O=C(NCCCCCC[NH2+]Cc1cccc([N+](=O)[O-])c1)C1=CCCC1 ZINC001178184719 1386153179 /nfs/dbraw/zinc/15/31/79/1386153179.db2.gz QAFCXYALHOCDDD-UHFFFAOYSA-N 1 0 345.443 3.471 20 5 EGBDRO Cc1c(C(=O)OCc2cc(F)ccc2[N+](=O)[O-])ccc2c[nH+]cn21 ZINC001320463670 1386616437 /nfs/dbraw/zinc/61/64/37/1386616437.db2.gz YIUJMGAZEZAEMH-UHFFFAOYSA-N 1 0 329.287 3.047 20 5 EGBDRO CC1CC[NH+](CCc2nnc(-c3ccc([N+](=O)[O-])cc3F)o2)CC1 ZINC001322358070 1387169337 /nfs/dbraw/zinc/16/93/37/1387169337.db2.gz BKCXDNUGWUTJDN-UHFFFAOYSA-N 1 0 334.351 3.058 20 5 EGBDRO COc1cccc(NC2CCN(c3cc[nH+]cc3)CC2)c1[N+](=O)[O-] ZINC001338315228 1389632036 /nfs/dbraw/zinc/63/20/36/1389632036.db2.gz VZUSQMJYSFTRSN-UHFFFAOYSA-N 1 0 328.372 3.079 20 5 EGBDRO COc1c(O)ccc(C[NH2+]C2CC(c3ccccc3)C2)c1[N+](=O)[O-] ZINC001333747511 1390391299 /nfs/dbraw/zinc/39/12/99/1390391299.db2.gz KSSCYAGLUVPSBH-UHFFFAOYSA-N 1 0 328.368 3.345 20 5 EGBDRO CC[N@H+](C)C[C@@H]1CCN(c2cccc(C(F)(F)F)c2[N+](=O)[O-])C1 ZINC001333910215 1390435650 /nfs/dbraw/zinc/43/56/50/1390435650.db2.gz QTLYPPVDBAUKOL-NSHDSACASA-N 1 0 331.338 3.392 20 5 EGBDRO C[C@H](NC(=O)CC[C@@H]([NH3+])c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC001341739374 1390523784 /nfs/dbraw/zinc/52/37/84/1390523784.db2.gz GVXBKVOXFUEASZ-SUMWQHHRSA-N 1 0 327.384 3.252 20 5 EGBDRO CCN(C(=O)c1cc2cc([N+](=O)[O-])ccc2s1)[C@H]1CCC[NH2+]C1 ZINC001343850752 1390739983 /nfs/dbraw/zinc/73/99/83/1390739983.db2.gz FNWIXIYRDJLWMQ-ZDUSSCGKSA-N 1 0 333.413 3.024 20 5 EGBDRO CC[C@H]1C[N@H+](CC)CCN1c1ncnc2c(Cl)cc([N+](=O)[O-])cc21 ZINC001347244747 1391037937 /nfs/dbraw/zinc/03/79/37/1391037937.db2.gz VGNCGVZHJNIEPC-NSHDSACASA-N 1 0 349.822 3.112 20 5 EGBDRO CCC[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC001347413480 1391071873 /nfs/dbraw/zinc/07/18/73/1391071873.db2.gz NQAXTXAKKMCYSS-AWEZNQCLSA-N 1 0 328.372 3.185 20 5 EGBDRO Cc1cc(Cl)c(C(=O)N2CCCC[C@H]2C[NH+](C)C)cc1[N+](=O)[O-] ZINC001350584446 1391484427 /nfs/dbraw/zinc/48/44/27/1391484427.db2.gz UGIPECSAFUKJFS-LBPRGKRZSA-N 1 0 339.823 3.113 20 5 EGBDRO CCCCN(c1ccncc1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC001351932162 1391718763 /nfs/dbraw/zinc/71/87/63/1391718763.db2.gz VWGORUHQQSGUKY-UHFFFAOYSA-N 1 0 349.412 3.126 20 5 EGBDRO CN(CCC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)CC(C)(C)C ZINC001754358249 1440591661 /nfs/dbraw/zinc/59/16/61/1440591661.db2.gz XVIUSTFWOBOAFC-UHFFFAOYSA-N 1 0 327.450 3.031 20 5 EGBDRO CC/C(C)=C/C(=O)NC1(C)CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001754626239 1440646437 /nfs/dbraw/zinc/64/64/37/1440646437.db2.gz UVYBIQMXCASOFZ-FYWRMAATSA-N 1 0 345.443 3.422 20 5 EGBDRO CCCCC(=O)NCC1=CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001755880355 1440939374 /nfs/dbraw/zinc/93/93/74/1440939374.db2.gz UCUOECGLAGJMBC-UHFFFAOYSA-N 1 0 331.416 3.033 20 5 EGBDRO C[NH+](C)Cc1ccc(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)cc1 ZINC000056474942 214376182 /nfs/dbraw/zinc/37/61/82/214376182.db2.gz XHDWHWLVAQHCMR-UHFFFAOYSA-N 1 0 338.367 3.390 20 5 EGBDRO CC[C@H]([NH2+]CC(=O)N1C[C@@H](C)C[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000181525510 529586627 /nfs/dbraw/zinc/58/66/27/529586627.db2.gz VGGDWMJWMDKCDA-ZQIUZPCESA-N 1 0 333.432 3.140 20 5 EGBDRO CC[C@@H](NC(=O)CC1(C[NH3+])CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000184215734 529589118 /nfs/dbraw/zinc/58/91/18/529589118.db2.gz KLMFGXYIRSGWQN-MRXNPFEDSA-N 1 0 333.432 3.461 20 5 EGBDRO CCC(CC)[C@H](CNc1ccc(C(N)=O)cc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000012522277 201851290 /nfs/dbraw/zinc/85/12/90/201851290.db2.gz GCPFWRPVZMVGNI-KRWDZBQOSA-N 1 0 348.447 3.006 20 5 EGBDRO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000012993652 201879625 /nfs/dbraw/zinc/87/96/25/201879625.db2.gz ISWMOUXYYFVQIB-HNNXBMFYSA-N 1 0 344.371 3.146 20 5 EGBDRO O=C(NCc1ccccc1C[NH+]1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000024189687 202113329 /nfs/dbraw/zinc/11/33/29/202113329.db2.gz XZERTOKROSXTTD-UHFFFAOYSA-N 1 0 339.395 3.121 20 5 EGBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1c1nc2ccccc2cc1[N+](=O)[O-] ZINC000376174057 291306661 /nfs/dbraw/zinc/30/66/61/291306661.db2.gz OPGKXWLPOOJOST-XJKSGUPXSA-N 1 0 326.400 3.206 20 5 EGBDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1c1ncc([N+](=O)[O-])s1 ZINC000192462563 239731727 /nfs/dbraw/zinc/73/17/27/239731727.db2.gz SFFGCQZEUYBDEM-ZDUSSCGKSA-N 1 0 332.429 3.152 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000194499275 240605451 /nfs/dbraw/zinc/60/54/51/240605451.db2.gz YTZKBOXQHXGFQS-UHFFFAOYSA-N 1 0 345.443 3.288 20 5 EGBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@H](C[C@@H]4CCOC4)C3)nc2c1 ZINC000375016612 242051650 /nfs/dbraw/zinc/05/16/50/242051650.db2.gz YTYVYLVQGATXHH-KGLIPLIRSA-N 1 0 345.399 3.375 20 5 EGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000375463824 242057322 /nfs/dbraw/zinc/05/73/22/242057322.db2.gz GIAHYKDNDGYBAG-RISCZKNCSA-N 1 0 328.372 3.406 20 5 EGBDRO Cc1c(C(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000072017778 203158816 /nfs/dbraw/zinc/15/88/16/203158816.db2.gz WPRVLDMWUXUWTJ-OKILXGFUSA-N 1 0 347.459 3.390 20 5 EGBDRO CC(C)[NH+](CCNc1ncc(Br)cc1[N+](=O)[O-])C(C)C ZINC000048552520 213945713 /nfs/dbraw/zinc/94/57/13/213945713.db2.gz ACINSFIMBDTZJL-UHFFFAOYSA-N 1 0 345.241 3.283 20 5 EGBDRO C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000119067165 204627727 /nfs/dbraw/zinc/62/77/27/204627727.db2.gz GKVHTMHDUSPSIW-ZIAGYGMSSA-N 1 0 346.431 3.369 20 5 EGBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000121272602 204788370 /nfs/dbraw/zinc/78/83/70/204788370.db2.gz MXUWIKVCSCMLNA-OAHLLOKOSA-N 1 0 332.404 3.077 20 5 EGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](CO)Cc1ccccc1 ZINC000130291004 205233186 /nfs/dbraw/zinc/23/31/86/205233186.db2.gz GNRCQVMDUVXXCC-YJBOKZPZSA-N 1 0 328.412 3.109 20 5 EGBDRO COc1ccc(CN2CCC[C@H]([NH+]3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000157223320 206122900 /nfs/dbraw/zinc/12/29/00/206122900.db2.gz UDMIHKNMFRAQAG-INIZCTEOSA-N 1 0 333.432 3.054 20 5 EGBDRO COc1ccc([C@@H](CO)[N@H+](C)Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000264932961 247057708 /nfs/dbraw/zinc/05/77/08/247057708.db2.gz QHRWEOMUBYEXIC-GOSISDBHSA-N 1 0 330.384 3.077 20 5 EGBDRO Cc1ccc(C[NH2+][C@@H](CO)Cc2c[nH]c3ccccc23)cc1[N+](=O)[O-] ZINC000265258052 247346199 /nfs/dbraw/zinc/34/61/99/247346199.db2.gz QBXSGXGWFYJXCA-MRXNPFEDSA-N 1 0 339.395 3.078 20 5 EGBDRO O=[N+]([O-])c1cnc(NC2CC[NH+](Cc3ccccn3)CC2)c(Cl)c1 ZINC000265509739 247563887 /nfs/dbraw/zinc/56/38/87/247563887.db2.gz KDBJSSUPDPATNR-UHFFFAOYSA-N 1 0 347.806 3.115 20 5 EGBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@@H](O)c1c(F)cccc1F ZINC000266292485 248229332 /nfs/dbraw/zinc/22/93/32/248229332.db2.gz KBBSYCOEPDHHCM-NVXWUHKLSA-N 1 0 336.338 3.475 20 5 EGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000266523865 248344578 /nfs/dbraw/zinc/34/45/78/248344578.db2.gz JKUNSTORXSQYPC-UONOGXRCSA-N 1 0 341.415 3.073 20 5 EGBDRO [NH3+]CCN(Cc1c[nH]nc1-c1cccs1)c1ccccc1[N+](=O)[O-] ZINC000377715356 169067269 /nfs/dbraw/zinc/06/72/69/169067269.db2.gz KKWQWFCGUATDJG-UHFFFAOYSA-N 1 0 343.412 3.012 20 5 EGBDRO CC[NH+](CC)[C@H]1CCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000174451962 207021148 /nfs/dbraw/zinc/02/11/48/207021148.db2.gz LHHLBIONZWDLCI-LBPRGKRZSA-N 1 0 340.811 3.196 20 5 EGBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000174451948 207020567 /nfs/dbraw/zinc/02/05/67/207020567.db2.gz LHHLBIONZWDLCI-GFCCVEGCSA-N 1 0 340.811 3.196 20 5 EGBDRO CN(CC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000176807730 207264332 /nfs/dbraw/zinc/26/43/32/207264332.db2.gz LLCCSONHADWSFC-UHFFFAOYSA-N 1 0 343.383 3.021 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)COc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000268852282 252300807 /nfs/dbraw/zinc/30/08/07/252300807.db2.gz PZCQTJKJUHKEGM-CZUORRHYSA-N 1 0 348.374 3.133 20 5 EGBDRO COc1ccc([C@@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000178569363 207501946 /nfs/dbraw/zinc/50/19/46/207501946.db2.gz LZNVPGSDKUHGGR-MOPGFXCFSA-N 1 0 342.395 3.378 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CC[C@H]([NH+]3CCCC3)C2)c(C(F)(F)F)c1 ZINC000058308208 285130156 /nfs/dbraw/zinc/13/01/56/285130156.db2.gz BARGJJSBQMFWNT-LBPRGKRZSA-N 1 0 329.322 3.288 20 5 EGBDRO CC(C)n1cnnc1[C@@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000118860518 221198496 /nfs/dbraw/zinc/19/84/96/221198496.db2.gz LJWQXGVUHWAMLC-OAHLLOKOSA-N 1 0 329.404 3.147 20 5 EGBDRO COc1cc(C[N@H+]2C[C@@H]3[C@H](C2)C3(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000172973211 144032282 /nfs/dbraw/zinc/03/22/82/144032282.db2.gz WCWVWAAJJKQRKX-PHIMTYICSA-N 1 0 342.342 3.293 20 5 EGBDRO CC(C)c1ccc(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000187829261 144164769 /nfs/dbraw/zinc/16/47/69/144164769.db2.gz SYDXXKKUYUMUJU-HUUCEWRRSA-N 1 0 333.432 3.321 20 5 EGBDRO CN1CCC[C@@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1=O ZINC000344620963 144200512 /nfs/dbraw/zinc/20/05/12/144200512.db2.gz ZMQOLEHDVRXWBO-CQSZACIVSA-N 1 0 345.424 3.034 20 5 EGBDRO CCO[C@H]1C[C@H]([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)C12CCCC2 ZINC000344625672 144201277 /nfs/dbraw/zinc/20/12/77/144201277.db2.gz JOFYQUSSWJFABH-IRXDYDNUSA-N 1 0 334.416 3.431 20 5 EGBDRO Cn1cc(C[NH2+]CCC(F)(F)F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000344697024 144211326 /nfs/dbraw/zinc/21/13/26/144211326.db2.gz FYQQODNXDOCDAP-UHFFFAOYSA-N 1 0 328.294 3.037 20 5 EGBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](C)C2(CCC2)C1 ZINC000357025921 144326683 /nfs/dbraw/zinc/32/66/83/144326683.db2.gz QJCXZTFYEVHZDM-ZIAGYGMSSA-N 1 0 331.416 3.434 20 5 EGBDRO CCOCCC[N@@H+]1CC[C@H](N[C@H](C)c2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000266820884 286064777 /nfs/dbraw/zinc/06/47/77/286064777.db2.gz YZYKTRCQRRAJHJ-JZXOWHBKSA-N 1 0 349.475 3.382 20 5 EGBDRO C[C@H](c1cccc(F)c1)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000118865904 152159164 /nfs/dbraw/zinc/15/91/64/152159164.db2.gz JNSVTQYOFWDMGD-DOMZBBRYSA-N 1 0 330.363 3.376 20 5 EGBDRO CC[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)[C@H](C)C(C)C ZINC000120244697 152261679 /nfs/dbraw/zinc/26/16/79/152261679.db2.gz HZKQUCHQOJRTMC-CYBMUJFWSA-N 1 0 335.404 3.259 20 5 EGBDRO COc1ccc(C[NH2+]Cc2ccc(C(C)(C)O)cc2)cc1[N+](=O)[O-] ZINC000187499092 533676008 /nfs/dbraw/zinc/67/60/08/533676008.db2.gz XELZCWSGQCMZEL-UHFFFAOYSA-N 1 0 330.384 3.121 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N(CC[NH+](C)C)Cc2ccccc2)c1 ZINC000172698261 292282003 /nfs/dbraw/zinc/28/20/03/292282003.db2.gz XUEHUNTXHABPCI-UHFFFAOYSA-N 1 0 341.411 3.107 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@@H](O)Cc1ccccc1)CCC2 ZINC000192833831 153262437 /nfs/dbraw/zinc/26/24/37/153262437.db2.gz NURZLUYMCNCSDE-HKUYNNGSSA-N 1 0 326.396 3.165 20 5 EGBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(NC(N)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000192846953 153263730 /nfs/dbraw/zinc/26/37/30/153263730.db2.gz IOUXEQLDOVKNBN-NWDGAFQWSA-N 1 0 328.372 3.497 20 5 EGBDRO O=[N+]([O-])c1cc(Br)ccc1C[NH2+][C@@H]1CCO[C@@H]1C1CC1 ZINC000232462297 153447104 /nfs/dbraw/zinc/44/71/04/153447104.db2.gz QKKPQFYINDZCKX-TZMCWYRMSA-N 1 0 341.205 3.014 20 5 EGBDRO C[NH2+][C@@H]1CCCN(Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C1 ZINC000261981884 153760160 /nfs/dbraw/zinc/76/01/60/153760160.db2.gz JHRHSYPTOZMACM-CYBMUJFWSA-N 1 0 345.399 3.047 20 5 EGBDRO COc1ccccc1[C@H]1CCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000305184945 154090145 /nfs/dbraw/zinc/09/01/45/154090145.db2.gz PCKLLQZYSAOOQG-MSOLQXFVSA-N 1 0 342.395 3.474 20 5 EGBDRO C[C@@H]1[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000310321917 154142048 /nfs/dbraw/zinc/14/20/48/154142048.db2.gz VFPANPQNDCAHDT-BEFAXECRSA-N 1 0 325.412 3.347 20 5 EGBDRO O=C(NCC[NH+]1CCCCCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000337463965 154366905 /nfs/dbraw/zinc/36/69/05/154366905.db2.gz REGYRXAGCSSMPZ-UHFFFAOYSA-N 1 0 340.811 3.246 20 5 EGBDRO COc1ccc(NC(=O)CC[NH+]2CCC(C)(C)CC2)c([N+](=O)[O-])c1 ZINC000339260200 154779866 /nfs/dbraw/zinc/77/98/66/154779866.db2.gz XJTDMJXNEYPTMR-UHFFFAOYSA-N 1 0 335.404 3.054 20 5 EGBDRO C[NH+](C)CCN(Cc1cccc(F)c1)Cc1cccc([N+](=O)[O-])c1 ZINC000349065097 156340545 /nfs/dbraw/zinc/34/05/45/156340545.db2.gz XJKNNMNJOYIAPY-UHFFFAOYSA-N 1 0 331.391 3.298 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC2(CCOCC2)[C@@H]1C ZINC000368813767 157295939 /nfs/dbraw/zinc/29/59/39/157295939.db2.gz KKWMWSXWFDVUNU-AWEZNQCLSA-N 1 0 334.416 3.385 20 5 EGBDRO COCC[C@H]([NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-])C(C)(C)C ZINC000338343696 163216563 /nfs/dbraw/zinc/21/65/63/163216563.db2.gz BCOKGMYICJIMLZ-HNNXBMFYSA-N 1 0 328.384 3.283 20 5 EGBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cccc2c1OCCO2 ZINC000338345985 163218674 /nfs/dbraw/zinc/21/86/74/163218674.db2.gz GGOQWJJTHNUXRR-UHFFFAOYSA-N 1 0 328.368 3.041 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C)c1ccncc1F ZINC000338345081 163218813 /nfs/dbraw/zinc/21/88/13/163218813.db2.gz QWEWNOGUAPGEGT-GFCCVEGCSA-N 1 0 346.362 3.117 20 5 EGBDRO C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338349711 163219466 /nfs/dbraw/zinc/21/94/66/163219466.db2.gz GGZMLAMBSHCLRE-OWCLPIDISA-N 1 0 347.459 3.247 20 5 EGBDRO COc1ccc2c(c1)OCC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C2 ZINC000338632232 163297706 /nfs/dbraw/zinc/29/77/06/163297706.db2.gz BARSGOUNZZKJCM-UHFFFAOYSA-N 1 0 328.368 3.041 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(NCC[N@@H+]2CCc3ccccc3C2)c1 ZINC000338645244 163303131 /nfs/dbraw/zinc/30/31/31/163303131.db2.gz WGIRYDLDJIMJST-UHFFFAOYSA-N 1 0 327.384 3.074 20 5 EGBDRO O=[N+]([O-])c1cccc2c(N3CC[C@H](C[NH+]4CCCC4)C3)ccnc21 ZINC000338673873 163313644 /nfs/dbraw/zinc/31/36/44/163313644.db2.gz OFLWGXDAGZQLJS-CQSZACIVSA-N 1 0 326.400 3.065 20 5 EGBDRO C[C@@H](C[C@@H]1CCCO1)[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000338710577 163326217 /nfs/dbraw/zinc/32/62/17/163326217.db2.gz WQTOSWKITBLNMS-GUYCJALGSA-N 1 0 344.415 3.043 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(NCc2ccc(CC[NH+](C)C)cc2)c1 ZINC000338712854 163327465 /nfs/dbraw/zinc/32/74/65/163327465.db2.gz ZXCDYTNNALQKPB-UHFFFAOYSA-N 1 0 329.400 3.320 20 5 EGBDRO C[NH+](C)C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000338759874 163341167 /nfs/dbraw/zinc/34/11/67/163341167.db2.gz XNEYKPJWSALDNU-INIZCTEOSA-N 1 0 347.802 3.281 20 5 EGBDRO CC[N@H+](CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)C(C)C ZINC000338765165 163341770 /nfs/dbraw/zinc/34/17/70/163341770.db2.gz CHFFFMYCNALHTO-UHFFFAOYSA-N 1 0 335.429 3.270 20 5 EGBDRO Cc1c(C(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000344151125 164114553 /nfs/dbraw/zinc/11/45/53/164114553.db2.gz MYYSELWPLHTYHN-UGSOOPFHSA-N 1 0 333.432 3.144 20 5 EGBDRO CC[N@H+](C)Cc1cccc(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)c1 ZINC000344205534 164126149 /nfs/dbraw/zinc/12/61/49/164126149.db2.gz CJILKZSAYRPAML-UHFFFAOYSA-N 1 0 345.374 3.116 20 5 EGBDRO COCC[C@@H](Cc1ccco1)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000344313302 164153510 /nfs/dbraw/zinc/15/35/10/164153510.db2.gz YLKJPUDYZRSWIU-OUOZUETKSA-N 1 0 330.384 3.438 20 5 EGBDRO C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCCN1C ZINC000344332834 164158311 /nfs/dbraw/zinc/15/83/11/164158311.db2.gz ZTQGWWARVQVPIE-CZUORRHYSA-N 1 0 329.400 3.427 20 5 EGBDRO C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCCN1C ZINC000344370701 164165899 /nfs/dbraw/zinc/16/58/99/164165899.db2.gz YEMXDUUQXLNJIL-GUYCJALGSA-N 1 0 329.400 3.427 20 5 EGBDRO COc1ccc(-c2ccc(C[NH2+]C[C@@](C)(O)C3CC3)o2)c([N+](=O)[O-])c1 ZINC000344403503 164170798 /nfs/dbraw/zinc/17/07/98/164170798.db2.gz CBGUZZQVAJZCHV-GOSISDBHSA-N 1 0 346.383 3.114 20 5 EGBDRO Cc1cc(C(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000347314252 164478877 /nfs/dbraw/zinc/47/88/77/164478877.db2.gz IQWHPHVAADXCOS-UGSOOPFHSA-N 1 0 333.432 3.144 20 5 EGBDRO COc1ccc(CN2CCC[C@H]([NH+]3[C@@H](C)CC[C@@H]3C)C2)cc1[N+](=O)[O-] ZINC000352311283 165337212 /nfs/dbraw/zinc/33/72/12/165337212.db2.gz UGTCJLACGDZQNB-ZOBUZTSGSA-N 1 0 347.459 3.441 20 5 EGBDRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)c1csc([N+](=O)[O-])c1)c1ccco1 ZINC000359547724 167188620 /nfs/dbraw/zinc/18/86/20/167188620.db2.gz SLVWGKFWUHBCOB-PWSUYJOCSA-N 1 0 337.401 3.109 20 5 EGBDRO CC[C@H](C)[NH2+][C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1C)c1ccco1 ZINC000359549433 167189234 /nfs/dbraw/zinc/18/92/34/167189234.db2.gz WDJCSTANXFSSTD-WFASDCNBSA-N 1 0 345.399 3.355 20 5 EGBDRO Cc1cc(C(=O)N[C@H](C[NH+](C)C)c2ccc(F)cc2)cc([N+](=O)[O-])c1 ZINC000359793646 167233702 /nfs/dbraw/zinc/23/37/02/167233702.db2.gz OFRSBWKIWSTQHS-QGZVFWFLSA-N 1 0 345.374 3.075 20 5 EGBDRO Cc1cc(C(=O)N[C@H](C[NH+](C)C)c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000360206489 167270628 /nfs/dbraw/zinc/27/06/28/167270628.db2.gz AFMKTZWOVGQYHA-MRXNPFEDSA-N 1 0 345.374 3.075 20 5 EGBDRO CC(C)CC[C@H](O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000360685288 167388009 /nfs/dbraw/zinc/38/80/09/167388009.db2.gz KGRBWFVNCFHPSA-INIZCTEOSA-N 1 0 336.432 3.235 20 5 EGBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000367200771 168192104 /nfs/dbraw/zinc/19/21/04/168192104.db2.gz LFZDXQRRMMSYJA-CQSZACIVSA-N 1 0 349.456 3.017 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2noc(C[NH+]3CCC4(CCC4)CC3)n2)cc1 ZINC000367584020 168244603 /nfs/dbraw/zinc/24/46/03/168244603.db2.gz HIPLXLJMDTVFLV-UHFFFAOYSA-N 1 0 328.372 3.411 20 5 EGBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2cc(N)ccc2[N+](=O)[O-])C1 ZINC000193431274 287273419 /nfs/dbraw/zinc/27/34/19/287273419.db2.gz JOEVZRCQLMILMR-CABCVRRESA-N 1 0 332.448 3.268 20 5 EGBDRO CC1CCC([NH+]2CCN(C(=O)c3ccc(F)cc3[N+](=O)[O-])CC2)CC1 ZINC000130716401 264759798 /nfs/dbraw/zinc/75/97/98/264759798.db2.gz VOLYLNDQZSJYTG-UHFFFAOYSA-N 1 0 349.406 3.070 20 5 EGBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@H](Cc2ccccc2)c2ccccc2)n1 ZINC000176196255 265162700 /nfs/dbraw/zinc/16/27/00/265162700.db2.gz IPOQDLUPUXOMMN-GOSISDBHSA-N 1 0 336.395 3.365 20 5 EGBDRO C[C@H]([N@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1(C)CC1 ZINC000177213932 265241965 /nfs/dbraw/zinc/24/19/65/265241965.db2.gz JOFVZNHVGCZUMV-JTQLQIEISA-N 1 0 325.796 3.307 20 5 EGBDRO COC(=O)N1CCC([C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000186760208 265551502 /nfs/dbraw/zinc/55/15/02/265551502.db2.gz BRGBNDRXIZZOBR-ZIAGYGMSSA-N 1 0 349.431 3.421 20 5 EGBDRO CCC1(CC)[C@@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1OC ZINC000191375139 265901545 /nfs/dbraw/zinc/90/15/45/265901545.db2.gz XZLNVJMKRFNCMI-HOTGVXAUSA-N 1 0 349.431 3.107 20 5 EGBDRO COc1ccc(C)cc1[C@H](C)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269675842 266339363 /nfs/dbraw/zinc/33/93/63/266339363.db2.gz CCJPDZJAIZKFEP-SUMWQHHRSA-N 1 0 330.384 3.296 20 5 EGBDRO O=[N+]([O-])c1ccc(NCC2CC[NH+](C3CC3)CC2)cc1OC(F)F ZINC000277629096 267832683 /nfs/dbraw/zinc/83/26/83/267832683.db2.gz DCCKRKFVQNSHPC-UHFFFAOYSA-N 1 0 341.358 3.483 20 5 EGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC000278395049 268002925 /nfs/dbraw/zinc/00/29/25/268002925.db2.gz GFJLCHKRRRGZOC-ACJLOTCBSA-N 1 0 332.375 3.378 20 5 EGBDRO O=[N+]([O-])c1ccc(C[N@@H+](CCCO)[C@H]2CCc3ccccc32)cc1 ZINC000114193756 275035158 /nfs/dbraw/zinc/03/51/58/275035158.db2.gz SFOXVRRAZSWLID-IBGZPJMESA-N 1 0 326.396 3.467 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@@]1(CO)Cc1ccccc1 ZINC000355729518 275039943 /nfs/dbraw/zinc/03/99/43/275039943.db2.gz LWAMKJBVBCXQSD-IBGZPJMESA-N 1 0 326.396 3.164 20 5 EGBDRO Cc1c(NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cccc1[N+](=O)[O-] ZINC000043348267 275128749 /nfs/dbraw/zinc/12/87/49/275128749.db2.gz YDMBYLNHCQIMLO-UHFFFAOYSA-N 1 0 334.420 3.334 20 5 EGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCCc1cnn(C)c1 ZINC000271068014 275237662 /nfs/dbraw/zinc/23/76/62/275237662.db2.gz DLRHWXWWJVKDIX-HNNXBMFYSA-N 1 0 348.472 3.421 20 5 EGBDRO CCn1nccc1C1CC[NH+](Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000278796589 275275742 /nfs/dbraw/zinc/27/57/42/275275742.db2.gz FLQPJSVDPXLFKZ-UHFFFAOYSA-N 1 0 344.415 3.199 20 5 EGBDRO CC(=O)N1CCC(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000279132216 275306693 /nfs/dbraw/zinc/30/66/93/275306693.db2.gz RDGWANXDPSUMBC-GOSISDBHSA-N 1 0 345.443 3.165 20 5 EGBDRO CCC(=O)c1ccc(N(C)C2CC[NH+](C(C)C)CC2)c([N+](=O)[O-])c1 ZINC000280048117 275396953 /nfs/dbraw/zinc/39/69/53/275396953.db2.gz NAUYRTIIEHXQFX-UHFFFAOYSA-N 1 0 333.432 3.497 20 5 EGBDRO CC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])c2ccccc2C1 ZINC000366740663 275465514 /nfs/dbraw/zinc/46/55/14/275465514.db2.gz SXDVSZLXKBPNQR-GOSISDBHSA-N 1 0 339.395 3.178 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N(C)CCC[NH+]1CCCC1 ZINC000281908983 275587569 /nfs/dbraw/zinc/58/75/69/275587569.db2.gz ITDAFJYKSNDTPD-UHFFFAOYSA-N 1 0 334.420 3.161 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CCC3(O)CCC3)cs2)c1 ZINC000284163066 275778884 /nfs/dbraw/zinc/77/88/84/275778884.db2.gz WLRKQVONMKZUTP-UHFFFAOYSA-N 1 0 333.413 3.113 20 5 EGBDRO C[C@H]([NH2+][C@@H](C)[C@@H](O)c1cccc(F)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285264026 275860407 /nfs/dbraw/zinc/86/04/07/275860407.db2.gz QNINJKNTVDAPMJ-PSVSLLHZSA-N 1 0 333.363 3.089 20 5 EGBDRO Nc1ccc(NC2CC[NH+](Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000285476312 275879802 /nfs/dbraw/zinc/87/98/02/275879802.db2.gz CQDLMGAYFYXCAH-UHFFFAOYSA-N 1 0 326.400 3.254 20 5 EGBDRO CC[C@@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000285517291 275884681 /nfs/dbraw/zinc/88/46/81/275884681.db2.gz BNWBBJBOPKWBDG-BFYDXBDKSA-N 1 0 333.432 3.329 20 5 EGBDRO CCS[C@@H]1CCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000286296403 275977582 /nfs/dbraw/zinc/97/75/82/275977582.db2.gz VIEDGQJMCOHACZ-LSDHHAIUSA-N 1 0 338.429 3.225 20 5 EGBDRO CC(C)c1ccc(C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000189816447 276048112 /nfs/dbraw/zinc/04/81/12/276048112.db2.gz PNWPGQHODQCZLV-AWEZNQCLSA-N 1 0 333.432 3.132 20 5 EGBDRO CC(C)c1ccc(C[NH2+][C@H]2CCO[C@]3(CCOC3)C2)cc1[N+](=O)[O-] ZINC000374288682 276053820 /nfs/dbraw/zinc/05/38/20/276053820.db2.gz QUJPZNYPCIQNMW-MAUKXSAKSA-N 1 0 334.416 3.146 20 5 EGBDRO CC(C)c1ccc(C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000287315295 276107401 /nfs/dbraw/zinc/10/74/01/276107401.db2.gz UUOAUPNBTZREMU-WMLDXEAASA-N 1 0 345.443 3.417 20 5 EGBDRO C[C@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1Cl)C[NH+]1CCCC1 ZINC000289664710 276374429 /nfs/dbraw/zinc/37/44/29/276374429.db2.gz MKBUWIVCFBCCOO-LLVKDONJSA-N 1 0 340.811 3.102 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H]1C[NH+]1CCCC1 ZINC000175158498 276376779 /nfs/dbraw/zinc/37/67/79/276376779.db2.gz UORXJLUNJZQNSG-QGZVFWFLSA-N 1 0 333.432 3.054 20 5 EGBDRO Cc1ccc(C[NH2+]C[C@]2(CO)C[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000289773656 276391965 /nfs/dbraw/zinc/39/19/65/276391965.db2.gz IYQVLHUYYWDFHV-MJGOQNOKSA-N 1 0 326.396 3.159 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C[NH+](C)C)c1ccc(F)cc1 ZINC000290675568 276527757 /nfs/dbraw/zinc/52/77/57/276527757.db2.gz VGTNCNDKVVKUBS-KRWDZBQOSA-N 1 0 345.374 3.075 20 5 EGBDRO C[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000185941759 278328053 /nfs/dbraw/zinc/32/80/53/278328053.db2.gz WDKXURKCUGKSDV-DYVFJYSZSA-N 1 0 342.399 3.408 20 5 EGBDRO C[C@@H]([NH2+]CCN1CCc2ccccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000178642802 278347362 /nfs/dbraw/zinc/34/73/62/278347362.db2.gz OASVAGOLEPGZIF-OAHLLOKOSA-N 1 0 325.412 3.304 20 5 EGBDRO C[C@@H]1C[C@H](c2ccccc2)C[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000115554087 279004888 /nfs/dbraw/zinc/00/48/88/279004888.db2.gz VTFKHPVVVOSDRE-DYVFJYSZSA-N 1 0 339.395 3.072 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000187264167 281008535 /nfs/dbraw/zinc/00/85/35/281008535.db2.gz ANUIHNDNGYOLFW-KDOFPFPSSA-N 1 0 341.411 3.324 20 5 EGBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1ncnc2cccc([N+](=O)[O-])c21 ZINC000347425117 298661877 /nfs/dbraw/zinc/66/18/77/298661877.db2.gz ZJSVOIFOAQONTJ-MGPQQGTHSA-N 1 0 343.431 3.316 20 5 EGBDRO C[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(C1CC1)C1CC1 ZINC000050988751 307330017 /nfs/dbraw/zinc/33/00/17/307330017.db2.gz ALCTXRAZGOGSFO-UHFFFAOYSA-N 1 0 328.372 3.265 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)CC1CCCC1 ZINC000064020637 307356411 /nfs/dbraw/zinc/35/64/11/307356411.db2.gz LJIDRMISMUFSHB-UHFFFAOYSA-N 1 0 335.404 3.054 20 5 EGBDRO COC(=O)[C@H](C)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000079922068 307429929 /nfs/dbraw/zinc/42/99/29/307429929.db2.gz CLCLGXZSPWTEDK-CXAGYDPISA-N 1 0 328.368 3.235 20 5 EGBDRO CC[C@H]([NH2+]C[C@@H](CO)c1ccc(OC)cc1)c1cccc([N+](=O)[O-])c1 ZINC000414194473 309066002 /nfs/dbraw/zinc/06/60/02/309066002.db2.gz UUMBLZVPSPTLKA-LPHOPBHVSA-N 1 0 344.411 3.420 20 5 EGBDRO CCC[NH+]1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000156957483 307840213 /nfs/dbraw/zinc/84/02/13/307840213.db2.gz DRLGVPUATOQUPG-UHFFFAOYSA-N 1 0 346.456 3.246 20 5 EGBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000414341069 309074020 /nfs/dbraw/zinc/07/40/20/309074020.db2.gz NZQBVOQTPQKROD-NILFDRSVSA-N 1 0 329.356 3.051 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@H](C)[C@H]2CCCC[C@H]21 ZINC000248418290 308002805 /nfs/dbraw/zinc/00/28/05/308002805.db2.gz KFBLGIYXUCNLQG-JGGQBBKZSA-N 1 0 347.415 3.052 20 5 EGBDRO CC[C@H](C)[C@@H](C)[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000248474483 308004152 /nfs/dbraw/zinc/00/41/52/308004152.db2.gz XGWDMLIHTHVOCZ-SQWLQELKSA-N 1 0 336.432 3.234 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000249297437 308022175 /nfs/dbraw/zinc/02/21/75/308022175.db2.gz BZRBOKYDWNRUSJ-VNHYZAJKSA-N 1 0 349.431 3.346 20 5 EGBDRO O=C(/C=C\c1cccc([N+](=O)[O-])c1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000255055620 308038709 /nfs/dbraw/zinc/03/87/09/308038709.db2.gz DNQBSZOXVMGAAV-HJCTWCACSA-N 1 0 343.427 3.085 20 5 EGBDRO C[NH+](C)Cc1cccc(NC(=O)/C=C\c2cccc([N+](=O)[O-])c2)c1 ZINC000255628527 308056228 /nfs/dbraw/zinc/05/62/28/308056228.db2.gz AAWBDELPQJAYCY-KTKRTIGZSA-N 1 0 325.368 3.308 20 5 EGBDRO C[NH+](C)[C@@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000293019602 308090701 /nfs/dbraw/zinc/09/07/01/308090701.db2.gz IDUIPBYLCMMWAU-CYBMUJFWSA-N 1 0 331.338 3.140 20 5 EGBDRO CC(C)([NH2+]C[C@@H](O)Cc1ccc(F)cc1)c1ccccc1[N+](=O)[O-] ZINC000293447049 308131683 /nfs/dbraw/zinc/13/16/83/308131683.db2.gz CGULICDGOBAHAG-HNNXBMFYSA-N 1 0 332.375 3.162 20 5 EGBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[NH2+][C@@H]2CCC[C@@H]2CCO)c1 ZINC000294174374 308197054 /nfs/dbraw/zinc/19/70/54/308197054.db2.gz QCYCLAHDLMSQBY-QMTHXVAHSA-N 1 0 332.322 3.254 20 5 EGBDRO Cc1cc(Cl)c(C(=O)NCC[NH+](C(C)C)C(C)C)cc1[N+](=O)[O-] ZINC000294823391 308261154 /nfs/dbraw/zinc/26/11/54/308261154.db2.gz RRKQFRVYADVHLD-UHFFFAOYSA-N 1 0 341.839 3.405 20 5 EGBDRO C[C@@H]1[C@H](CO)CCC[N@@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000414589425 309091080 /nfs/dbraw/zinc/09/10/80/309091080.db2.gz WPUNRZILZKATRI-OCCSQVGLSA-N 1 0 347.440 3.311 20 5 EGBDRO C[NH2+][C@H]1CCN(Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C1 ZINC000414653841 309093749 /nfs/dbraw/zinc/09/37/49/309093749.db2.gz IMENIJZARQIOLG-INIZCTEOSA-N 1 0 340.427 3.156 20 5 EGBDRO C[C@H]([NH2+]C[C@H]1CN(c2ccccc2)C(=O)O1)c1ccc([N+](=O)[O-])cc1 ZINC000296864697 308475172 /nfs/dbraw/zinc/47/51/72/308475172.db2.gz ZCKRDQJSTSVJBB-GUYCJALGSA-N 1 0 341.367 3.271 20 5 EGBDRO CCC1([NH2+]CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CCCC1 ZINC000298040458 308580837 /nfs/dbraw/zinc/58/08/37/308580837.db2.gz DDAGSGILRCBIFK-UHFFFAOYSA-N 1 0 335.404 3.244 20 5 EGBDRO [NH3+]C[C@@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C1CC1 ZINC000414794887 309101834 /nfs/dbraw/zinc/10/18/34/309101834.db2.gz GBJKKSTVFSZYJW-OAHLLOKOSA-N 1 0 335.791 3.335 20 5 EGBDRO COc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000299452745 308675255 /nfs/dbraw/zinc/67/52/55/308675255.db2.gz ZTXUJCALROPAIN-CHWSQXEVSA-N 1 0 343.383 3.281 20 5 EGBDRO C[C@@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CCC[NH2+]C1 ZINC000414842312 309105017 /nfs/dbraw/zinc/10/50/17/309105017.db2.gz BDMFULMEWBLNFM-UKRRQHHQSA-N 1 0 329.400 3.333 20 5 EGBDRO CCOc1cc(N2CCC[C@@H]2C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000302379853 308736550 /nfs/dbraw/zinc/73/65/50/308736550.db2.gz BLLNWJYKGCBVPT-MRXNPFEDSA-N 1 0 333.432 3.448 20 5 EGBDRO C[NH+](C)[C@@H](CNc1c2c(ccc1[N+](=O)[O-])NCC2)c1cccs1 ZINC000302468935 308737648 /nfs/dbraw/zinc/73/76/48/308737648.db2.gz TVLYVMJSLUAKDE-AWEZNQCLSA-N 1 0 332.429 3.339 20 5 EGBDRO CCC(CC)[C@@H](CNC(=O)Nc1cc([N+](=O)[O-])ccc1C)[NH+](C)C ZINC000303817960 308755352 /nfs/dbraw/zinc/75/53/52/308755352.db2.gz MICIOUWWGSAOKF-MRXNPFEDSA-N 1 0 336.436 3.391 20 5 EGBDRO CC[C@@H](C)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000309716918 308763035 /nfs/dbraw/zinc/76/30/35/308763035.db2.gz UEERKBKMNNLAJB-MRVPVSSYSA-N 1 0 334.157 3.088 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+]C1[C@H](C)CCC[C@H]1C ZINC000330862595 308799547 /nfs/dbraw/zinc/79/95/47/308799547.db2.gz VZPAFVKZDRYFSG-UPJWGTAASA-N 1 0 349.431 3.345 20 5 EGBDRO Cc1ccc([C@H](C)NC(=O)[C@@H](C)[NH+]2CCCCCC2)cc1[N+](=O)[O-] ZINC000331954584 308821982 /nfs/dbraw/zinc/82/19/82/308821982.db2.gz JOYZAKTWIDDFIT-LSDHHAIUSA-N 1 0 333.432 3.345 20 5 EGBDRO CCc1cnccc1[C@H](C)[NH2+]CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000361136433 308896105 /nfs/dbraw/zinc/89/61/05/308896105.db2.gz QFSDLEWUJNDVFJ-ZDUSSCGKSA-N 1 0 345.399 3.290 20 5 EGBDRO CC[NH+](CC)[C@H](CNc1ccc([N+](=O)[O-])c(C)n1)c1ccccc1 ZINC000392453509 308902103 /nfs/dbraw/zinc/90/21/03/308902103.db2.gz FGSKZPNIGNTNNZ-QGZVFWFLSA-N 1 0 328.416 3.215 20 5 EGBDRO Cc1cc(NCC2CC[NH+](Cc3ccccc3)CC2)ncc1[N+](=O)[O-] ZINC000397524952 308904425 /nfs/dbraw/zinc/90/44/25/308904425.db2.gz XEFWGFMPPUYGSA-UHFFFAOYSA-N 1 0 340.427 3.044 20 5 EGBDRO CC(C)C1CCC([NH+]2CCN(c3ncc([N+](=O)[O-])s3)CC2)CC1 ZINC000409717343 308911849 /nfs/dbraw/zinc/91/18/49/308911849.db2.gz QJKFREFRDCDLKV-UHFFFAOYSA-N 1 0 338.477 3.388 20 5 EGBDRO CC(C)[C@H](CC(F)(F)F)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411606634 308945503 /nfs/dbraw/zinc/94/55/03/308945503.db2.gz JADRCCNPLWVVKL-ZDUSSCGKSA-N 1 0 347.337 3.490 20 5 EGBDRO O=[N+]([O-])c1cnc(N[C@@H](C[NH+]2CCCC2)c2ccccc2)c(F)c1 ZINC000413040118 309012936 /nfs/dbraw/zinc/01/29/36/309012936.db2.gz GGFBAVABSURLMO-INIZCTEOSA-N 1 0 330.363 3.378 20 5 EGBDRO C[NH+](C)[C@H]1CCC[C@H](Nc2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000413163962 309019020 /nfs/dbraw/zinc/01/90/20/309019020.db2.gz BXUBCNKMHANOEF-UWVGGRQHSA-N 1 0 332.326 3.293 20 5 EGBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])c3ncccc23)CC[N@@H+](C2CCC2)C1 ZINC000413293580 309025544 /nfs/dbraw/zinc/02/55/44/309025544.db2.gz APOAMCBRORCGGG-AWEZNQCLSA-N 1 0 340.427 3.454 20 5 EGBDRO C[N@H+](CCCCNc1ncc([N+](=O)[O-])cc1C(F)(F)F)C1CC1 ZINC000413346719 309027984 /nfs/dbraw/zinc/02/79/84/309027984.db2.gz IVLPNXUCKLNUND-UHFFFAOYSA-N 1 0 332.326 3.295 20 5 EGBDRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000415508137 309135568 /nfs/dbraw/zinc/13/55/68/309135568.db2.gz UOPMTOYOFOVWSM-INIZCTEOSA-N 1 0 342.399 3.287 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000415761887 309143293 /nfs/dbraw/zinc/14/32/93/309143293.db2.gz MGBWYWNBZQLXNM-LSDHHAIUSA-N 1 0 346.431 3.011 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000415761882 309143316 /nfs/dbraw/zinc/14/33/16/309143316.db2.gz MGBWYWNBZQLXNM-CABCVRRESA-N 1 0 346.431 3.011 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000415768834 309143490 /nfs/dbraw/zinc/14/34/90/309143490.db2.gz VXGSSRNYXGLHLZ-OAHLLOKOSA-N 1 0 334.420 3.057 20 5 EGBDRO CN(C)C1(C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CCOCC1 ZINC000417303955 309200968 /nfs/dbraw/zinc/20/09/68/309200968.db2.gz DXEQRQPBRHYMSB-SFHVURJKSA-N 1 0 347.459 3.063 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCN(CC(F)F)C1)CCCC2 ZINC000417380688 309203775 /nfs/dbraw/zinc/20/37/75/309203775.db2.gz HRIMLPBWRNRTPV-CJNGLKHVSA-N 1 0 339.386 3.291 20 5 EGBDRO [NH3+][C@@H]1CCC[C@H](CNc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000420293493 309279640 /nfs/dbraw/zinc/27/96/40/309279640.db2.gz YATMRMGQTLMWSZ-VHSXEESVSA-N 1 0 328.210 3.287 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@@H](C2CCCC2)C1 ZINC000420964211 309304718 /nfs/dbraw/zinc/30/47/18/309304718.db2.gz PDLHDKFAWFJJEV-OAHLLOKOSA-N 1 0 331.416 3.354 20 5 EGBDRO CC(C)[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@H](C)c1ccsc1 ZINC000421012839 309307473 /nfs/dbraw/zinc/30/74/73/309307473.db2.gz QTGKYTGWGYOSCW-CYBMUJFWSA-N 1 0 335.429 3.290 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(CC(C)C)C1CC[NH+](C)CC1 ZINC000421548278 309329339 /nfs/dbraw/zinc/32/93/39/309329339.db2.gz CLZAYQMDDWRAMR-UHFFFAOYSA-N 1 0 347.459 3.404 20 5 EGBDRO CC(C)c1ccc(C(=O)NC[C@H]([NH3+])c2ccccc2)cc1[N+](=O)[O-] ZINC000422805676 309369407 /nfs/dbraw/zinc/36/94/07/309369407.db2.gz MMZSPCJGRMPGNH-INIZCTEOSA-N 1 0 327.384 3.148 20 5 EGBDRO [NH3+]CC1(CC(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000423203617 309390307 /nfs/dbraw/zinc/39/03/07/309390307.db2.gz CQXOEKMUQMIVNT-UHFFFAOYSA-N 1 0 341.367 3.455 20 5 EGBDRO C[C@H]([NH3+])c1ccc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000423722634 309410787 /nfs/dbraw/zinc/41/07/87/309410787.db2.gz KHJCHKAXGFCVDA-ZDUSSCGKSA-N 1 0 339.395 3.419 20 5 EGBDRO Cc1c(CNC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)cccc1[N+](=O)[O-] ZINC000423812839 309414158 /nfs/dbraw/zinc/41/41/58/309414158.db2.gz RMFCUEWHCLWPEY-KRWDZBQOSA-N 1 0 341.411 3.246 20 5 EGBDRO Cc1c(CNC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)cccc1[N+](=O)[O-] ZINC000423812841 309414167 /nfs/dbraw/zinc/41/41/67/309414167.db2.gz RMFCUEWHCLWPEY-QGZVFWFLSA-N 1 0 341.411 3.246 20 5 EGBDRO COCCOCCCC[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433170721 309680478 /nfs/dbraw/zinc/68/04/78/309680478.db2.gz YYAYRYGSJKPOKL-QGZVFWFLSA-N 1 0 336.432 3.350 20 5 EGBDRO CC1(C)C[C@H]([NH2+]CCCOC[C@H]2CCOC2)c2cc([N+](=O)[O-])ccc21 ZINC000433267572 309684045 /nfs/dbraw/zinc/68/40/45/309684045.db2.gz GIAZSNJUUJVKHH-KDOFPFPSSA-N 1 0 348.443 3.350 20 5 EGBDRO COc1ccc(-c2ccc(C[N@@H+]3C[C@H](O)C(C)(C)C3)o2)c([N+](=O)[O-])c1 ZINC000448361477 310003028 /nfs/dbraw/zinc/00/30/28/310003028.db2.gz HSAQWJIPRXSLER-KRWDZBQOSA-N 1 0 346.383 3.066 20 5 EGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](c1ccsc1)N(C)C ZINC000449072957 310034943 /nfs/dbraw/zinc/03/49/43/310034943.db2.gz RBUCZMKCANSJTJ-CXAGYDPISA-N 1 0 333.457 3.480 20 5 EGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CCN(c2ccccn2)CC1 ZINC000449076754 310035144 /nfs/dbraw/zinc/03/51/44/310035144.db2.gz HXFONCPSBSCSRD-HNNXBMFYSA-N 1 0 340.427 3.179 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[NH2+]Cc1ccc2c(c1)OCCCCO2 ZINC000449094113 310036483 /nfs/dbraw/zinc/03/64/83/310036483.db2.gz ZSZSVLGBNYKWSA-UHFFFAOYSA-N 1 0 328.368 3.436 20 5 EGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](CO)c1c(F)cccc1F ZINC000449144242 310040135 /nfs/dbraw/zinc/04/01/35/310040135.db2.gz SEJOAJJLXGJHON-XHDPSFHLSA-N 1 0 336.338 3.127 20 5 EGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCC[C@H]1n1cccn1 ZINC000449180787 310042698 /nfs/dbraw/zinc/04/26/98/310042698.db2.gz CCMZPFCGSHCPAM-UWWQBHOKSA-N 1 0 328.416 3.496 20 5 EGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC[C@H]1COc2ccccc2O1 ZINC000449183703 310042886 /nfs/dbraw/zinc/04/28/86/310042886.db2.gz DXFOFTXGKYUJCV-ZBFHGGJFSA-N 1 0 342.395 3.346 20 5 EGBDRO CC(C)c1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449193351 310043617 /nfs/dbraw/zinc/04/36/17/310043617.db2.gz NGOVPFBDSRTBNA-UKRRQHHQSA-N 1 0 343.431 3.365 20 5 EGBDRO CCc1ccc([C@@H](CO)[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000449217190 310045308 /nfs/dbraw/zinc/04/53/08/310045308.db2.gz XPCIJPONCGTCAU-RDTXWAMCSA-N 1 0 328.412 3.411 20 5 EGBDRO Cc1cccc(C[C@H](CO)[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000449267949 310048844 /nfs/dbraw/zinc/04/88/44/310048844.db2.gz CMIOVINMGQEVJG-MAUKXSAKSA-N 1 0 328.412 3.027 20 5 EGBDRO Cc1ccc(C[C@H](CO)[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000449269724 310049085 /nfs/dbraw/zinc/04/90/85/310049085.db2.gz OAISXTYFCCCRDR-CRAIPNDOSA-N 1 0 328.412 3.027 20 5 EGBDRO COc1cc(C[N@@H+]2C[C@@H](C3CC3)[C@@H]2C2CC2)c([N+](=O)[O-])cc1OC ZINC000449532920 310069735 /nfs/dbraw/zinc/06/97/35/310069735.db2.gz DVJUXYLMPDBGHR-KSSFIOAISA-N 1 0 332.400 3.232 20 5 EGBDRO CCC1(C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)COC1 ZINC000449604720 310075041 /nfs/dbraw/zinc/07/50/41/310075041.db2.gz YETJFWKCEQJNSP-UHFFFAOYSA-N 1 0 333.413 3.235 20 5 EGBDRO CC[C@H](O)[C@H](CC)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000449637274 310076519 /nfs/dbraw/zinc/07/65/19/310076519.db2.gz GFRKKTSTUGGFEE-GJZGRUSLSA-N 1 0 335.429 3.357 20 5 EGBDRO CC(C)(C)c1ccc(C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000449636113 310076575 /nfs/dbraw/zinc/07/65/75/310076575.db2.gz CXHBPGJANKJGAJ-OCCSQVGLSA-N 1 0 333.432 3.140 20 5 EGBDRO CN(CCc1cccc([N+](=O)[O-])c1)Cc1ccn(CC(F)(F)F)n1 ZINC000450940446 310151069 /nfs/dbraw/zinc/15/10/69/310151069.db2.gz NOALVMOJPAFWCS-UHFFFAOYSA-N 1 0 342.321 3.028 20 5 EGBDRO CC(C)[N@@H+]1CCCC[C@@H]1CN1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000451051970 310157747 /nfs/dbraw/zinc/15/77/47/310157747.db2.gz WMSJUTIGFISIRE-QGZVFWFLSA-N 1 0 333.432 3.052 20 5 EGBDRO CCO[C@H]1C[C@@H]([NH2+]Cc2cc(OC)c(F)cc2[N+](=O)[O-])C12CCC2 ZINC000451474074 310180126 /nfs/dbraw/zinc/18/01/26/310180126.db2.gz ALTCLZJYFYNQSH-CVEARBPZSA-N 1 0 338.379 3.180 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](C[C@H](O)Cc3ccccc3)C2)cc1 ZINC000451550876 310185673 /nfs/dbraw/zinc/18/56/73/310185673.db2.gz SSOHVUBQTPPZET-UYAOXDASSA-N 1 0 340.423 3.378 20 5 EGBDRO CO[C@@H]1CC[N@@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1C ZINC000451560804 310186539 /nfs/dbraw/zinc/18/65/39/310186539.db2.gz IHXZVPWRMGDZGW-LALPHHSUSA-N 1 0 346.387 3.063 20 5 EGBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)cc1 ZINC000451621764 310189837 /nfs/dbraw/zinc/18/98/37/310189837.db2.gz XRAHPRUZOGLVGJ-MSOLQXFVSA-N 1 0 346.427 3.255 20 5 EGBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@@]4(CCSC4)C3)nc2c1 ZINC000451979076 310206262 /nfs/dbraw/zinc/20/62/62/310206262.db2.gz PQHNTUQCMUUTOT-MRXNPFEDSA-N 1 0 333.413 3.455 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@@H](O)Cc1cccc(F)c1)CCC2 ZINC000453226386 310265211 /nfs/dbraw/zinc/26/52/11/310265211.db2.gz XRLVZACTRGHVLZ-HKUYNNGSSA-N 1 0 344.386 3.305 20 5 EGBDRO CC[C@H]([NH2+][C@@H]1CCO[C@H](c2nccn2C)C1)c1cccc([N+](=O)[O-])c1 ZINC000453416880 310275949 /nfs/dbraw/zinc/27/59/49/310275949.db2.gz ZMAJAYCFLXTQGM-PVAVHDDUSA-N 1 0 344.415 3.289 20 5 EGBDRO CN(c1ccccc1)c1ccc(C[NH2+][C@@H]2CCC[C@H]2O)cc1[N+](=O)[O-] ZINC000453617937 310284771 /nfs/dbraw/zinc/28/47/71/310284771.db2.gz RYAGRKMMZRILCW-VQIMIIECSA-N 1 0 341.411 3.366 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[NH+]([C@H](C)CC)CC1 ZINC000455474075 310362459 /nfs/dbraw/zinc/36/24/59/310362459.db2.gz UVOGUVIBQHMRQI-CYBMUJFWSA-N 1 0 334.420 3.105 20 5 EGBDRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000456134481 310389960 /nfs/dbraw/zinc/38/99/60/310389960.db2.gz GRWHUFVQZINQBG-BFYDXBDKSA-N 1 0 345.443 3.174 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000458195738 310490844 /nfs/dbraw/zinc/49/08/44/310490844.db2.gz DAJKHOLIQPEQOS-UHFFFAOYSA-N 1 0 347.440 3.169 20 5 EGBDRO CCC[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C1CCC1 ZINC000459792790 310575837 /nfs/dbraw/zinc/57/58/37/310575837.db2.gz JIYMLEOHRCZYMN-AWEZNQCLSA-N 1 0 335.404 3.100 20 5 EGBDRO CCN(CCC[NH+](C)C)c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000468610427 310691049 /nfs/dbraw/zinc/69/10/49/310691049.db2.gz JJTCNCFOXRNHTM-UHFFFAOYSA-N 1 0 328.416 3.435 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H](CO)Cc1ccccc1C ZINC000468610659 310691144 /nfs/dbraw/zinc/69/11/44/310691144.db2.gz UBNLFXFYZHIMES-DQXUBXGMSA-N 1 0 340.423 3.500 20 5 EGBDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000477730892 310848537 /nfs/dbraw/zinc/84/85/37/310848537.db2.gz LOERBKPRIMPDET-UHOFOFEASA-N 1 0 334.416 3.361 20 5 EGBDRO C[C@H](O)[C@@](C)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1F)Cc1ccccc1 ZINC000480465491 310895076 /nfs/dbraw/zinc/89/50/76/310895076.db2.gz DVUKFJUFGLDOKZ-IFXJQAMLSA-N 1 0 346.402 3.453 20 5 EGBDRO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000481094514 310905912 /nfs/dbraw/zinc/90/59/12/310905912.db2.gz QHHVIPWETMBSBG-KMFMINBZSA-N 1 0 336.432 3.139 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000486933003 311002605 /nfs/dbraw/zinc/00/26/05/311002605.db2.gz HPGKWFCUPWRNRT-OAHLLOKOSA-N 1 0 334.420 3.016 20 5 EGBDRO COc1cccc2c1CC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)CC2 ZINC000489551373 311111541 /nfs/dbraw/zinc/11/15/41/311111541.db2.gz ONEJUWGQQJBCCM-UHFFFAOYSA-N 1 0 342.395 3.213 20 5 EGBDRO C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CCN(CCC(F)(F)F)CC1 ZINC000489829244 311121978 /nfs/dbraw/zinc/12/19/78/311121978.db2.gz IUGQUZGBACVYLA-UHFFFAOYSA-N 1 0 345.365 3.443 20 5 EGBDRO C[C@H](C[C@@H](C)[NH2+]Cc1csc([N+](=O)[O-])c1)NC(=O)OC(C)(C)C ZINC000496201186 311677512 /nfs/dbraw/zinc/67/75/12/311677512.db2.gz SWYNIPPEABOFCE-GHMZBOCLSA-N 1 0 343.449 3.438 20 5 EGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCc2c[nH]nc2C1 ZINC000504920010 312012430 /nfs/dbraw/zinc/01/24/30/312012430.db2.gz MIUWNYNYNIAHNQ-KGLIPLIRSA-N 1 0 346.456 3.336 20 5 EGBDRO CCOc1ccc([C@H](C)[NH2+]CC2CC[NH+](CC)CC2)cc1[N+](=O)[O-] ZINC000515189340 312270274 /nfs/dbraw/zinc/27/02/74/312270274.db2.gz QLVBCYPOEGYHRH-AWEZNQCLSA-N 1 0 335.448 3.376 20 5 EGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@@H](O)CCc1ccccc1 ZINC000516663187 312336565 /nfs/dbraw/zinc/33/65/65/312336565.db2.gz HERMCLIUQHHGPQ-MAUKXSAKSA-N 1 0 326.396 3.165 20 5 EGBDRO Cc1c([C@H](C)[NH2+][C@H]2CCCC[C@@H]2N2CCOCC2)cccc1[N+](=O)[O-] ZINC000532248668 313774612 /nfs/dbraw/zinc/77/46/12/313774612.db2.gz AUVSRCWUHDMJCM-IEZWGBDMSA-N 1 0 347.459 3.197 20 5 EGBDRO O=[N+]([O-])c1cccc(OCC[NH2+]C2(c3ccccc3)CCOCC2)c1 ZINC000533381950 313900951 /nfs/dbraw/zinc/90/09/51/313900951.db2.gz NPHOZSBNZZFYEU-UHFFFAOYSA-N 1 0 342.395 3.269 20 5 EGBDRO Cc1c(C[NH+]2CCC(Nc3ccccn3)CC2)cccc1[N+](=O)[O-] ZINC000536370237 314109618 /nfs/dbraw/zinc/10/96/18/314109618.db2.gz LAXDJCAHHQGODD-UHFFFAOYSA-N 1 0 326.400 3.375 20 5 EGBDRO CC(C)C[N@@H+]1Cc2cccc(NC(=O)c3cc([N+](=O)[O-])cn3C)c2C1 ZINC000536648233 314133894 /nfs/dbraw/zinc/13/38/94/314133894.db2.gz TVBBCYSDFOQIHO-UHFFFAOYSA-N 1 0 342.399 3.157 20 5 EGBDRO COc1ccc(-c2ccc(C[NH2+]C[C@@](C)(O)C(C)C)o2)c([N+](=O)[O-])c1 ZINC000538398267 314244747 /nfs/dbraw/zinc/24/47/47/314244747.db2.gz HUUFBHKVPKMDIB-GOSISDBHSA-N 1 0 348.399 3.360 20 5 EGBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C1CCC(F)(F)CC1 ZINC000540153859 314366428 /nfs/dbraw/zinc/36/64/28/314366428.db2.gz LBNUHIAXTZTRCM-NSHDSACASA-N 1 0 341.358 3.479 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@@H](CO)CC(F)(F)F ZINC000540150650 314366453 /nfs/dbraw/zinc/36/64/53/314366453.db2.gz JCYROUAXCZAMEE-YUTCNCBUSA-N 1 0 346.349 3.209 20 5 EGBDRO CC(C)n1cc([C@H](C)[NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cn1 ZINC000542573327 314559656 /nfs/dbraw/zinc/55/96/56/314559656.db2.gz HJKKJDQHIRVADY-QWHCGFSZSA-N 1 0 345.403 3.050 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)c(NCCC[NH+]2CCC(O)CC2)c(Cl)c1 ZINC000121886785 454489259 /nfs/dbraw/zinc/48/92/59/454489259.db2.gz XRZHUEJKLANPFA-UHFFFAOYSA-N 1 0 348.230 3.160 20 5 EGBDRO COCC1(CC[NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000551242991 315146155 /nfs/dbraw/zinc/14/61/55/315146155.db2.gz ZPXQRSPRXAGXGP-CQSZACIVSA-N 1 0 349.431 3.108 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCS(=O)(=O)c1ccccc1 ZINC000552904685 315237255 /nfs/dbraw/zinc/23/72/55/315237255.db2.gz SHQHYUBXDBQCPD-AWEZNQCLSA-N 1 0 348.424 3.028 20 5 EGBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)c1 ZINC000555414412 315382855 /nfs/dbraw/zinc/38/28/55/315382855.db2.gz NYFWVGLRYLEWSG-NWDGAFQWSA-N 1 0 344.333 3.472 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccc(C4CC4)cc3)CC2)cn1 ZINC000563091296 315956813 /nfs/dbraw/zinc/95/68/13/315956813.db2.gz PSBIYFHLLUZDCX-UHFFFAOYSA-N 1 0 338.411 3.189 20 5 EGBDRO COc1c(C)nc(C2CC2)nc1N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000563425690 316019918 /nfs/dbraw/zinc/01/99/18/316019918.db2.gz JKLYMHSLHJVSII-UHFFFAOYSA-N 1 0 340.383 3.142 20 5 EGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@@H]1CCN(Cc2ccccc2)C1 ZINC000570293718 317035618 /nfs/dbraw/zinc/03/56/18/317035618.db2.gz WRJJNVWWFMNSIF-VQIMIIECSA-N 1 0 337.423 3.446 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](NC[C@@H]2CC[N@@H+](C3CC3)C2)C(F)(F)F)cc1 ZINC000570638398 317085391 /nfs/dbraw/zinc/08/53/91/317085391.db2.gz XWLDHEVAJVQXLE-XHDPSFHLSA-N 1 0 343.349 3.272 20 5 EGBDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000572938788 317412493 /nfs/dbraw/zinc/41/24/93/317412493.db2.gz QMGBGUNSNDPTOY-CABCVRRESA-N 1 0 335.448 3.325 20 5 EGBDRO COc1ccc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])c(OC)c1 ZINC000573505377 317493880 /nfs/dbraw/zinc/49/38/80/317493880.db2.gz GZKAHJRUBYEMTN-INIZCTEOSA-N 1 0 328.368 3.389 20 5 EGBDRO C[NH+](C)C[C@@H]1CCCCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000171510978 323238562 /nfs/dbraw/zinc/23/85/62/323238562.db2.gz NRHJYHGIEWGJRU-AWEZNQCLSA-N 1 0 347.440 3.366 20 5 EGBDRO C[C@@H]1C[C@H]1[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000180020563 323419449 /nfs/dbraw/zinc/41/94/49/323419449.db2.gz NYPHKNRWXKALQN-HFBAOOFYSA-N 1 0 334.807 3.432 20 5 EGBDRO CC(C)(C)OC(=O)NC[C@@H]1CC[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000382445630 324249508 /nfs/dbraw/zinc/24/95/08/324249508.db2.gz JEWYRMHNYHVWML-HIFRSBDPSA-N 1 0 349.431 3.378 20 5 EGBDRO CC(C)(C)OC(=O)NC[C@H]1CC[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000382445635 324249795 /nfs/dbraw/zinc/24/97/95/324249795.db2.gz JEWYRMHNYHVWML-ZFWWWQNUSA-N 1 0 349.431 3.378 20 5 EGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1CCO[C@@H](c2ccncc2)C1 ZINC000575329818 324449985 /nfs/dbraw/zinc/44/99/85/324449985.db2.gz RNJMAKLEFIPKNN-UCLAIMLFSA-N 1 0 339.395 3.487 20 5 EGBDRO CC(C)[N@@H+]1CC[C@@H](CNc2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000580047873 325195097 /nfs/dbraw/zinc/19/50/97/325195097.db2.gz POQSXFDMLSDCKR-JTQLQIEISA-N 1 0 332.326 3.151 20 5 EGBDRO CC(C)[N@@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])cc2OC(F)F)C1 ZINC000581221137 325342252 /nfs/dbraw/zinc/34/22/52/325342252.db2.gz KONSVZTZWVTYJZ-NSHDSACASA-N 1 0 329.347 3.338 20 5 EGBDRO COc1ccc(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c(F)c1 ZINC000581290194 325349046 /nfs/dbraw/zinc/34/90/46/325349046.db2.gz KMIOEBAMLZUJDL-JKSUJKDBSA-N 1 0 348.378 3.213 20 5 EGBDRO C[C@@](O)(C[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C(F)(F)F ZINC000582297084 325430306 /nfs/dbraw/zinc/43/03/06/325430306.db2.gz MXSWRCWIKXFDIT-SNVBAGLBSA-N 1 0 346.227 3.017 20 5 EGBDRO CC(C)[NH+](CCCNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])C(C)C ZINC000582435201 325441476 /nfs/dbraw/zinc/44/14/76/325441476.db2.gz DBOXANMRKHIRDX-UHFFFAOYSA-N 1 0 349.475 3.498 20 5 EGBDRO C[C@H]([NH2+]CCOCC(F)(F)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000189833344 455244484 /nfs/dbraw/zinc/24/44/84/455244484.db2.gz VVTSVAUCXIWBBK-VIFPVBQESA-N 1 0 342.264 3.460 20 5 EGBDRO COc1ccccc1[C@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000157930596 455250786 /nfs/dbraw/zinc/25/07/86/455250786.db2.gz RHIIQDZINJDSBZ-HNNXBMFYSA-N 1 0 342.395 3.472 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1 ZINC000007378912 453068468 /nfs/dbraw/zinc/06/84/68/453068468.db2.gz KKZHBDXHZAKLDD-OLZOCXBDSA-N 1 0 343.383 3.281 20 5 EGBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000600725806 460581165 /nfs/dbraw/zinc/58/11/65/460581165.db2.gz KFIBQPZZSKMNAI-WZRBSPASSA-N 1 0 331.338 3.115 20 5 EGBDRO Cn1cnc([N+](=O)[O-])c1NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000008375246 453198390 /nfs/dbraw/zinc/19/83/90/453198390.db2.gz PHUBBRIRVUYKJQ-UHFFFAOYSA-N 1 0 349.822 3.058 20 5 EGBDRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1ccccc1[N+](=O)[O-] ZINC000010283911 453284417 /nfs/dbraw/zinc/28/44/17/453284417.db2.gz SQTULGVTUMWBKK-UHFFFAOYSA-N 1 0 341.411 3.367 20 5 EGBDRO COCCC[NH+]1CCC(N[C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000159132813 455355033 /nfs/dbraw/zinc/35/50/33/455355033.db2.gz SBZLJBIPMOUZOJ-HNNXBMFYSA-N 1 0 335.448 3.055 20 5 EGBDRO COC(=O)c1cc(-c2ccc([C@H]3CCC[NH2+]3)cc2)cc([N+](=O)[O-])c1 ZINC000600788601 460605572 /nfs/dbraw/zinc/60/55/72/460605572.db2.gz PFQVPGMQGGGALR-QGZVFWFLSA-N 1 0 326.352 3.473 20 5 EGBDRO CC(C)[NH+](CCNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)C(C)C ZINC000016600079 453614558 /nfs/dbraw/zinc/61/45/58/453614558.db2.gz ZRXZGGBNCRULQL-UHFFFAOYSA-N 1 0 348.447 3.018 20 5 EGBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccccc1F ZINC000026224709 453795094 /nfs/dbraw/zinc/79/50/94/453795094.db2.gz YSHIBBWPJYXQLL-UHFFFAOYSA-N 1 0 331.347 3.195 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@@H]1CCC[C@@H](C)C1 ZINC000026468029 453800685 /nfs/dbraw/zinc/80/06/85/453800685.db2.gz VEFKNUPPZXBDNP-CHWSQXEVSA-N 1 0 335.404 3.052 20 5 EGBDRO COc1ccc(NC(=O)C[N@H+](C)[C@H]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000026468305 453800811 /nfs/dbraw/zinc/80/08/11/453800811.db2.gz NOZQAGBZMBJIOP-OLZOCXBDSA-N 1 0 335.404 3.052 20 5 EGBDRO CCc1ccc(C[N@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000026712188 453804085 /nfs/dbraw/zinc/80/40/85/453804085.db2.gz SKSIPEXDTHUMPR-GOSISDBHSA-N 1 0 344.411 3.029 20 5 EGBDRO C[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CCCCCC1 ZINC000027967316 453821626 /nfs/dbraw/zinc/82/16/26/453821626.db2.gz QVLPHQKSHXIXNT-UHFFFAOYSA-N 1 0 331.416 3.139 20 5 EGBDRO CCCCCNC(=O)C1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000052723407 453842947 /nfs/dbraw/zinc/84/29/47/453842947.db2.gz TZVWITUCLJMCSD-UHFFFAOYSA-N 1 0 347.459 3.156 20 5 EGBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)CCc1ccccc1 ZINC000053047873 453854657 /nfs/dbraw/zinc/85/46/57/453854657.db2.gz XHQJEIIUNYVKBZ-AWEZNQCLSA-N 1 0 327.384 3.096 20 5 EGBDRO CC[NH+](CC)CCOC1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000075063879 453857398 /nfs/dbraw/zinc/85/73/98/453857398.db2.gz MGVGJBGNBGRCAP-UHFFFAOYSA-N 1 0 339.411 3.061 20 5 EGBDRO C[C@H](C[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000066853814 453880888 /nfs/dbraw/zinc/88/08/88/453880888.db2.gz MSEVZXYETYFFPK-QAPCUYQASA-N 1 0 344.411 3.070 20 5 EGBDRO CC[NH+](CC)Cc1cccc(CNC(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000054032756 453906341 /nfs/dbraw/zinc/90/63/41/453906341.db2.gz XFRIFKJHTCACMV-UHFFFAOYSA-N 1 0 347.440 3.428 20 5 EGBDRO CC(C)C(=O)NC[C@@H]1CCC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000075683305 453918684 /nfs/dbraw/zinc/91/86/84/453918684.db2.gz GDFALPNERSHIGN-GJZGRUSLSA-N 1 0 333.432 3.140 20 5 EGBDRO Cc1cc(C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000054286971 453921354 /nfs/dbraw/zinc/92/13/54/453921354.db2.gz GKPYMTONTNQVLC-CYBMUJFWSA-N 1 0 333.432 3.144 20 5 EGBDRO Cc1ccccc1CNC(=O)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181821586 455386273 /nfs/dbraw/zinc/38/62/73/455386273.db2.gz NXZGCMZZPYKSRV-HNNXBMFYSA-N 1 0 341.411 3.179 20 5 EGBDRO O=[N+]([O-])c1cccc(C[N@H+](CCc2ccccc2)[C@H]2CCOC2)c1 ZINC000084133303 453971049 /nfs/dbraw/zinc/97/10/49/453971049.db2.gz CIJDDWCVYCUCPL-IBGZPJMESA-N 1 0 326.396 3.428 20 5 EGBDRO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])c2cnccc12)c1ccco1 ZINC000067949219 453983062 /nfs/dbraw/zinc/98/30/62/453983062.db2.gz GJIQRVXMPNIUKP-MRXNPFEDSA-N 1 0 326.356 3.451 20 5 EGBDRO C[C@@H](Nc1ncc([N+](=O)[O-])cc1Br)C(C)(C)C[NH+](C)C ZINC000085688230 454036486 /nfs/dbraw/zinc/03/64/86/454036486.db2.gz BIMUYQMKHHICPX-SECBINFHSA-N 1 0 345.241 3.141 20 5 EGBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(Cl)cn1 ZINC000056196842 454043694 /nfs/dbraw/zinc/04/36/94/454043694.db2.gz NDCXYKJECVNTHJ-WDEREUQCSA-N 1 0 348.790 3.321 20 5 EGBDRO C[NH+](C)C1(CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CCCCCC1 ZINC000056459854 454060134 /nfs/dbraw/zinc/06/01/34/454060134.db2.gz BUWSTDAZPHMIFQ-UHFFFAOYSA-N 1 0 348.447 3.049 20 5 EGBDRO C[NH+](C)C1(CNC(=O)c2csc([N+](=O)[O-])c2)CCCCCC1 ZINC000044338659 454097125 /nfs/dbraw/zinc/09/71/25/454097125.db2.gz HVZXVABPQLLDPG-UHFFFAOYSA-N 1 0 325.434 3.041 20 5 EGBDRO C[NH+](C)C1CCN(c2ccc(Nc3ncccc3[N+](=O)[O-])cc2)CC1 ZINC000089266866 454131789 /nfs/dbraw/zinc/13/17/89/454131789.db2.gz VFWCDQFNGOPUFU-UHFFFAOYSA-N 1 0 341.415 3.264 20 5 EGBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+](Cc2cccs2)C2CC2)c1 ZINC000045008557 454132915 /nfs/dbraw/zinc/13/29/15/454132915.db2.gz JJLFZGRBCAAFLP-HNNXBMFYSA-N 1 0 348.424 3.061 20 5 EGBDRO COCCc1nc(C)c([C@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])s1 ZINC000089512784 454157530 /nfs/dbraw/zinc/15/75/30/454157530.db2.gz WBBMDEYWQKFGLI-NSHDSACASA-N 1 0 335.429 3.399 20 5 EGBDRO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccccc1N(C)C ZINC000089580575 454163158 /nfs/dbraw/zinc/16/31/58/454163158.db2.gz HHXSGDFJOWMBAR-CQSZACIVSA-N 1 0 329.400 3.390 20 5 EGBDRO Cc1cc(NC2CC[NH+]([C@@H]3CCOC3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000089603061 454166914 /nfs/dbraw/zinc/16/69/14/454166914.db2.gz SNHLLMKGXQGSRJ-CYBMUJFWSA-N 1 0 339.823 3.222 20 5 EGBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000058268301 454176486 /nfs/dbraw/zinc/17/64/86/454176486.db2.gz YJWZLCFGMSIETQ-BFYDXBDKSA-N 1 0 345.443 3.001 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000094062279 454184346 /nfs/dbraw/zinc/18/43/46/454184346.db2.gz HADLVQOKHDMQGV-UHFFFAOYSA-N 1 0 347.459 3.370 20 5 EGBDRO Cc1ccc([C@@H](C)NC(=O)C[C@H]([NH3+])c2ccccc2)cc1[N+](=O)[O-] ZINC000119381428 454190762 /nfs/dbraw/zinc/19/07/62/454190762.db2.gz LISMFASLTQANHD-CJNGLKHVSA-N 1 0 327.384 3.171 20 5 EGBDRO C[C@H]([NH2+][C@@H](CO)Cc1c[nH]c2ccccc12)c1ccc([N+](=O)[O-])cc1 ZINC000095968081 454242252 /nfs/dbraw/zinc/24/22/52/454242252.db2.gz KLHYEFPMIDSMDH-XJKSGUPXSA-N 1 0 339.395 3.330 20 5 EGBDRO COc1ccccc1[C@@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000095972795 454245066 /nfs/dbraw/zinc/24/50/66/454245066.db2.gz RGARDTOEAQGRNH-QAPCUYQASA-N 1 0 342.395 3.126 20 5 EGBDRO Cc1cccc(N2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000059391467 454258657 /nfs/dbraw/zinc/25/86/57/454258657.db2.gz FVRDGYAPVMVEOP-UHFFFAOYSA-N 1 0 325.412 3.268 20 5 EGBDRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNc1c([N+](=O)[O-])ncn1C ZINC000071954917 454261420 /nfs/dbraw/zinc/26/14/20/454261420.db2.gz AGOWGIONCBDMPY-AWEZNQCLSA-N 1 0 343.431 3.315 20 5 EGBDRO COc1ccc(NC(=O)C[N@H+](C)[C@H]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000078529081 454269922 /nfs/dbraw/zinc/26/99/22/454269922.db2.gz NOZQAGBZMBJIOP-STQMWFEESA-N 1 0 335.404 3.052 20 5 EGBDRO C[C@H](C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)Cn1ccnc1 ZINC000072082438 454271541 /nfs/dbraw/zinc/27/15/41/454271541.db2.gz JEBJAVCIBAZHFS-CQSZACIVSA-N 1 0 340.383 3.477 20 5 EGBDRO Cc1cc([N+](=O)[O-])cnc1N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000078674801 454296736 /nfs/dbraw/zinc/29/67/36/454296736.db2.gz OYCMVLFBLYAKMH-KRWDZBQOSA-N 1 0 340.427 3.257 20 5 EGBDRO Cc1cnc(N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000078689592 454300671 /nfs/dbraw/zinc/30/06/71/454300671.db2.gz FGKHXHKGMRAFFB-INIZCTEOSA-N 1 0 340.427 3.399 20 5 EGBDRO Cc1ccccc1[C@H](C(C)C)[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000131995982 454305331 /nfs/dbraw/zinc/30/53/31/454305331.db2.gz UFIPMXZPVIZCRM-IBGZPJMESA-N 1 0 343.427 3.394 20 5 EGBDRO C[C@H](C1CC1)[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccccc1 ZINC000090517444 454314612 /nfs/dbraw/zinc/31/46/12/454314612.db2.gz FDUGPDPEYWQUHE-OAHLLOKOSA-N 1 0 341.411 3.057 20 5 EGBDRO C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)CCC(=O)N2 ZINC000061110523 454328624 /nfs/dbraw/zinc/32/86/24/454328624.db2.gz MPXJEIRXKOWLEI-GFCCVEGCSA-N 1 0 325.368 3.330 20 5 EGBDRO C[C@@H]1CCC[N@H+](CCNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000047147930 454334447 /nfs/dbraw/zinc/33/44/47/454334447.db2.gz WDYOEMFIVHXEDQ-GFCCVEGCSA-N 1 0 347.440 3.271 20 5 EGBDRO CC[C@@]1(C)CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000072803061 454342490 /nfs/dbraw/zinc/34/24/90/454342490.db2.gz PPTKKEJFRCUEHR-SFHVURJKSA-N 1 0 349.431 3.444 20 5 EGBDRO C[NH+](C)C1(CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCOCC1 ZINC000072947418 454368087 /nfs/dbraw/zinc/36/80/87/454368087.db2.gz CZXUTKWRVLZUKX-UHFFFAOYSA-N 1 0 347.337 3.136 20 5 EGBDRO CCC[C@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000120946831 454368842 /nfs/dbraw/zinc/36/88/42/454368842.db2.gz NWYXIVZMSXCIOJ-AWEZNQCLSA-N 1 0 349.431 3.444 20 5 EGBDRO COc1cccc([C@@H](CNc2cc(C)c([N+](=O)[O-])cn2)[NH+](C)C)c1 ZINC000073000202 454379503 /nfs/dbraw/zinc/37/95/03/454379503.db2.gz LUJLZOLYKBPIMR-MRXNPFEDSA-N 1 0 330.388 3.022 20 5 EGBDRO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1nc2ccccc2n1C ZINC000091373239 454431156 /nfs/dbraw/zinc/43/11/56/454431156.db2.gz WIIDFVUVLRUDAC-CYBMUJFWSA-N 1 0 340.383 3.211 20 5 EGBDRO CC(C)c1ccc(C[NH+]2CCC(c3nncn3C)CC2)cc1[N+](=O)[O-] ZINC000091795212 454472748 /nfs/dbraw/zinc/47/27/48/454472748.db2.gz WSSLTDDPVWULIQ-UHFFFAOYSA-N 1 0 343.431 3.226 20 5 EGBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@H](c1ccccc1)C1CC1 ZINC000182198048 455458792 /nfs/dbraw/zinc/45/87/92/455458792.db2.gz GZAUTFBKQCRTRU-QFBILLFUSA-N 1 0 342.395 3.075 20 5 EGBDRO CC(C)c1ccc(C[N@@H+]2CCC[C@H](Cn3ccnn3)C2)cc1[N+](=O)[O-] ZINC000092070348 454514209 /nfs/dbraw/zinc/51/42/09/454514209.db2.gz BIRGUUIGXQAECY-INIZCTEOSA-N 1 0 343.431 3.222 20 5 EGBDRO Cc1cccc([C@H]2CCC[N@@H+]2C[C@@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000246210060 455449882 /nfs/dbraw/zinc/44/98/82/455449882.db2.gz CBCFNVUMWOQVFQ-QZTJIDSGSA-N 1 0 327.384 3.169 20 5 EGBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000182198070 455458898 /nfs/dbraw/zinc/45/88/98/455458898.db2.gz GZAUTFBKQCRTRU-APWZRJJASA-N 1 0 342.395 3.075 20 5 EGBDRO Cc1cccc(N2CC[NH+](CCOc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000065209147 454537711 /nfs/dbraw/zinc/53/77/11/454537711.db2.gz PTOAEUHPWSRGMV-UHFFFAOYSA-N 1 0 341.411 3.104 20 5 EGBDRO COc1ccc(C[N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000065208692 454538047 /nfs/dbraw/zinc/53/80/47/454538047.db2.gz OGHSDKNPTVBRPW-UHFFFAOYSA-N 1 0 346.383 3.123 20 5 EGBDRO CS[C@H]1CCCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000134584680 454564150 /nfs/dbraw/zinc/56/41/50/454564150.db2.gz ADOYQPXRIRDMHY-STQMWFEESA-N 1 0 337.445 3.139 20 5 EGBDRO C[C@H]1C[NH+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H](C)S1 ZINC000092540257 454582588 /nfs/dbraw/zinc/58/25/88/454582588.db2.gz XFQKNZYEBCBNOM-STQMWFEESA-N 1 0 346.456 3.321 20 5 EGBDRO C[NH+](C)[C@@H]1CCCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000092938268 454656670 /nfs/dbraw/zinc/65/66/70/454656670.db2.gz VHLGGXZPVXFTAP-MRXNPFEDSA-N 1 0 346.456 3.244 20 5 EGBDRO CC[NH+](CC)CCOc1ccc(CNc2ccc([N+](=O)[O-])cn2)cc1 ZINC000052161489 454657715 /nfs/dbraw/zinc/65/77/15/454657715.db2.gz IEAYZRNJCYVSPJ-UHFFFAOYSA-N 1 0 344.415 3.323 20 5 EGBDRO CCCCN(C)C(=O)C1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000052185992 454658272 /nfs/dbraw/zinc/65/82/72/454658272.db2.gz PBSPZKGYORGCGX-UHFFFAOYSA-N 1 0 333.432 3.065 20 5 EGBDRO Cc1ccccc1C[NH+]1CCC(Nc2ccc([N+](=O)[O-])cn2)CC1 ZINC000052406895 454670625 /nfs/dbraw/zinc/67/06/25/454670625.db2.gz IUBFLBWULPPQRJ-UHFFFAOYSA-N 1 0 326.400 3.375 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCOCC34CCC4)o2)c1 ZINC000135506265 454684748 /nfs/dbraw/zinc/68/47/48/454684748.db2.gz OWORWJWPUVWIFH-UHFFFAOYSA-N 1 0 343.383 3.047 20 5 EGBDRO Cn1c(CCC[NH2+]Cc2csc([N+](=O)[O-])c2)nc2ccccc21 ZINC000124378782 454726320 /nfs/dbraw/zinc/72/63/20/454726320.db2.gz ILTONGRGZZLVOG-UHFFFAOYSA-N 1 0 330.413 3.265 20 5 EGBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000152983184 454749560 /nfs/dbraw/zinc/74/95/60/454749560.db2.gz ZGIYHALWKCBWCA-NEPJUHHUSA-N 1 0 349.456 3.062 20 5 EGBDRO CCOC(=O)CC[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000162107039 454751789 /nfs/dbraw/zinc/75/17/89/454751789.db2.gz GOJQHEZDCXSCLZ-CYBMUJFWSA-N 1 0 338.379 3.289 20 5 EGBDRO C[NH+](C)[C@H]1CCCN(Cc2cc(=O)oc3ccc4ccccc4c23)C1 ZINC000111249877 454859129 /nfs/dbraw/zinc/85/91/29/454859129.db2.gz HANRCEZDTMLIQF-KRWDZBQOSA-N 1 0 336.435 3.472 20 5 EGBDRO C[C@@H]([NH2+][C@H]1CCN(c2ncccc2F)C1)c1cccc([N+](=O)[O-])c1 ZINC000168111601 454924965 /nfs/dbraw/zinc/92/49/65/454924965.db2.gz KDMLMJUCCRBEKC-OCCSQVGLSA-N 1 0 330.363 3.058 20 5 EGBDRO C[C@H]([NH2+][C@@H]1CCN(C(=O)C2CCCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000151062001 454932404 /nfs/dbraw/zinc/93/24/04/454932404.db2.gz DMBWARSISKHDJT-WMLDXEAASA-N 1 0 345.443 3.427 20 5 EGBDRO C[C@H](NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000178137087 454937277 /nfs/dbraw/zinc/93/72/77/454937277.db2.gz OMQRAEMTYVWOGP-HOCLYGCPSA-N 1 0 345.443 3.427 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)n1 ZINC000178243065 454944147 /nfs/dbraw/zinc/94/41/47/454944147.db2.gz GIXPEHSFKSKPER-INIZCTEOSA-N 1 0 340.427 3.399 20 5 EGBDRO Cc1cc(F)ccc1-c1ccc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)o1 ZINC000151243788 454957493 /nfs/dbraw/zinc/95/74/93/454957493.db2.gz KAOKSINLZBXSIJ-UHFFFAOYSA-N 1 0 344.346 3.289 20 5 EGBDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1)C(=O)OC(C)(C)C ZINC000170918933 454999733 /nfs/dbraw/zinc/99/97/33/454999733.db2.gz UZGBOOFYFLVIAW-CQSZACIVSA-N 1 0 349.431 3.284 20 5 EGBDRO O=[N+]([O-])c1cc(C[NH+]2CCc3ccccc3CC2)c2c(c1)COCO2 ZINC000116301254 455051029 /nfs/dbraw/zinc/05/10/29/455051029.db2.gz WZUAXANHNHBALT-UHFFFAOYSA-N 1 0 340.379 3.062 20 5 EGBDRO Cc1c(NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)cccc1[N+](=O)[O-] ZINC000116477082 455057917 /nfs/dbraw/zinc/05/79/17/455057917.db2.gz VXUKKHBPJNPFIM-OAHLLOKOSA-N 1 0 336.436 3.391 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](CCCO)c1ccccc1 ZINC000179725603 455070398 /nfs/dbraw/zinc/07/03/98/455070398.db2.gz DZERSKBRVLMPRV-QGZVFWFLSA-N 1 0 330.384 3.207 20 5 EGBDRO C[C@@H]([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1CCOCC1 ZINC000179871383 455091821 /nfs/dbraw/zinc/09/18/21/455091821.db2.gz OEWBNEZRKOUDSC-GFCCVEGCSA-N 1 0 331.372 3.155 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@@]4(CCOC4)C3)o2)cc1 ZINC000180135795 455137954 /nfs/dbraw/zinc/13/79/54/455137954.db2.gz OMYYUEIYNLBUQB-GOSISDBHSA-N 1 0 328.368 3.467 20 5 EGBDRO COC(=O)c1ccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1F ZINC000180407051 455164641 /nfs/dbraw/zinc/16/46/41/455164641.db2.gz LIRNYOLASVGSBU-LLVKDONJSA-N 1 0 332.331 3.371 20 5 EGBDRO C[C@H]([NH2+]C[C@H]1CN(c2ccccc2)C(=O)O1)c1cccc([N+](=O)[O-])c1 ZINC000180454730 455172811 /nfs/dbraw/zinc/17/28/11/455172811.db2.gz AYFDYONPOYWNLR-GUYCJALGSA-N 1 0 341.367 3.271 20 5 EGBDRO Cc1ccc([C@H](C)NC(=O)C[C@@H](C)C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000237362897 455177454 /nfs/dbraw/zinc/17/74/54/455177454.db2.gz FFVMBBOXTVRLGX-KGLIPLIRSA-N 1 0 333.432 3.106 20 5 EGBDRO CC[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)CC[C@H]1c1ccccc1 ZINC000245410795 455290589 /nfs/dbraw/zinc/29/05/89/455290589.db2.gz SVHGWAAYGGCZOB-CRAIPNDOSA-N 1 0 328.416 3.307 20 5 EGBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H](CC(F)(F)F)c2ccc(F)cc2)c1 ZINC000180548917 455194196 /nfs/dbraw/zinc/19/41/96/455194196.db2.gz RIFBTPGBPHILAX-CYBMUJFWSA-N 1 0 346.284 3.214 20 5 EGBDRO CC(C)c1ccc(C(=O)N2CCC[C@H]2C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000189491609 455206327 /nfs/dbraw/zinc/20/63/27/455206327.db2.gz IOUCLENNYLGPEG-INIZCTEOSA-N 1 0 345.443 3.419 20 5 EGBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000172950477 455212175 /nfs/dbraw/zinc/21/21/75/455212175.db2.gz NDDNBCGREREYFA-LEWSCRJBSA-N 1 0 328.372 3.294 20 5 EGBDRO CCC[N@@H+]1CC[C@@H](CN[C@H](C)c2ccc(OCC)c([N+](=O)[O-])c2)C1 ZINC000245502914 455315665 /nfs/dbraw/zinc/31/56/65/455315665.db2.gz HCDLFQKOVVCOES-CABCVRRESA-N 1 0 335.448 3.376 20 5 EGBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CC[C@H]3OCCC[C@H]3C2)c1 ZINC000245808367 455381796 /nfs/dbraw/zinc/38/17/96/455381796.db2.gz YZMXDZJQFUOAPV-SMDDNHRTSA-N 1 0 342.342 3.197 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC([NH2+]C(C)C)CC1 ZINC000184480521 455387212 /nfs/dbraw/zinc/38/72/12/455387212.db2.gz HSNIVBXAKYJJMT-UHFFFAOYSA-N 1 0 334.420 3.206 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000245901560 455395153 /nfs/dbraw/zinc/39/51/53/455395153.db2.gz SHDWHNWBYFKQJX-LUYZLQTOSA-N 1 0 347.459 3.447 20 5 EGBDRO COC[C@H]([NH2+]CCCOc1ccc([N+](=O)[O-])cc1)c1ccc(C)o1 ZINC000184676182 455425972 /nfs/dbraw/zinc/42/59/72/455425972.db2.gz ZIZHSXUCJFLBSY-INIZCTEOSA-N 1 0 334.372 3.242 20 5 EGBDRO CC[NH+](CC)CCNC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000160185348 455436670 /nfs/dbraw/zinc/43/66/70/455436670.db2.gz CXVPCECJGYYRRQ-UHFFFAOYSA-N 1 0 348.325 3.077 20 5 EGBDRO C[C@@H]([NH2+]Cc1cccc(C(=O)NC2CC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000266766157 455449953 /nfs/dbraw/zinc/44/99/53/455449953.db2.gz AAFCQAOBKUZDSU-CYBMUJFWSA-N 1 0 339.395 3.338 20 5 EGBDRO CC[C@H](C)C[N@H+](CC)CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000160592517 455478080 /nfs/dbraw/zinc/47/80/80/455478080.db2.gz KBFAKFSMIRAHJX-ZDUSSCGKSA-N 1 0 337.420 3.300 20 5 EGBDRO Cc1cnc([C@@H](C)[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])s1 ZINC000185031628 455488459 /nfs/dbraw/zinc/48/84/59/455488459.db2.gz KLDAIBKNJCBTPK-LLVKDONJSA-N 1 0 334.401 3.039 20 5 EGBDRO Cn1ccnc1C[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000182377851 455501206 /nfs/dbraw/zinc/50/12/06/455501206.db2.gz YXMZMRKMWLTLMB-ZDUSSCGKSA-N 1 0 348.834 3.436 20 5 EGBDRO COC(=O)c1ccccc1OCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000182428380 455511590 /nfs/dbraw/zinc/51/15/90/455511590.db2.gz JTWBUKRRBAIIMF-ZDUSSCGKSA-N 1 0 344.367 3.111 20 5 EGBDRO COc1cccc2c1CC[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C2 ZINC000192441868 455617052 /nfs/dbraw/zinc/61/70/52/455617052.db2.gz UGJJMLVUZJYLAN-INIZCTEOSA-N 1 0 326.396 3.293 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000192510251 455634761 /nfs/dbraw/zinc/63/47/61/455634761.db2.gz BFXDZKUTAATBQN-KBPBESRZSA-N 1 0 333.432 3.001 20 5 EGBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000192517666 455635878 /nfs/dbraw/zinc/63/58/78/455635878.db2.gz FUCJDSKJMKRDLO-UHFFFAOYSA-N 1 0 349.479 3.212 20 5 EGBDRO CCC1(CC)[C@H]([NH2+][C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1OC ZINC000247891923 455652151 /nfs/dbraw/zinc/65/21/51/455652151.db2.gz FQEPVUSABIZGML-WQVCFCJDSA-N 1 0 349.431 3.105 20 5 EGBDRO C[C@@H]1CN(CCC[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C[C@@H](C)O1 ZINC000192627810 455656919 /nfs/dbraw/zinc/65/69/19/455656919.db2.gz UTVDLZZZBFDSMV-SPYBWZPUSA-N 1 0 347.459 3.061 20 5 EGBDRO NC(=O)Nc1ccc(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000192645824 455660846 /nfs/dbraw/zinc/66/08/46/455660846.db2.gz XEKGKRIYBZKTSI-KRWDZBQOSA-N 1 0 340.383 3.253 20 5 EGBDRO COCCc1nc(C)c([C@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])s1 ZINC000271559173 455684691 /nfs/dbraw/zinc/68/46/91/455684691.db2.gz NYIYNHINJSREPY-LBPRGKRZSA-N 1 0 349.456 3.442 20 5 EGBDRO O=[N+]([O-])c1c(NCC2CC[NH+](C3CC3)CC2)ccc2ncccc21 ZINC000277865439 455691058 /nfs/dbraw/zinc/69/10/58/455691058.db2.gz LJUVEGATYXIAAI-UHFFFAOYSA-N 1 0 326.400 3.429 20 5 EGBDRO Cc1c([C@H](C)[NH2+][C@H]2CCC[C@@H](C(=O)N(C)C)C2)cccc1[N+](=O)[O-] ZINC000268884862 455718403 /nfs/dbraw/zinc/71/84/03/455718403.db2.gz INSCQYFGEVXIMA-ZNMIVQPWSA-N 1 0 333.432 3.201 20 5 EGBDRO COC[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000271670166 455718477 /nfs/dbraw/zinc/71/84/77/455718477.db2.gz GHUVXKSXTPTGCC-MRXNPFEDSA-N 1 0 336.338 3.393 20 5 EGBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)CC(=O)N2C ZINC000268921158 455730413 /nfs/dbraw/zinc/73/04/13/455730413.db2.gz QGACADOHNUUPHJ-ZDUSSCGKSA-N 1 0 339.395 3.007 20 5 EGBDRO C[C@@H](NC(=O)NCCC[N@@H+]1CCCC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000249685942 455766550 /nfs/dbraw/zinc/76/65/50/455766550.db2.gz HTAQIGHJOBBGMI-HUUCEWRRSA-N 1 0 348.447 3.220 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C)CC1 ZINC000249818260 455776806 /nfs/dbraw/zinc/77/68/06/455776806.db2.gz DUKPCAJCNGHQMU-QWHCGFSZSA-N 1 0 335.404 3.052 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000194480832 455848396 /nfs/dbraw/zinc/84/83/96/455848396.db2.gz MNHMYFIUTAMSIX-CYBMUJFWSA-N 1 0 333.432 3.144 20 5 EGBDRO Cc1nnc([C@H]2CCC[N@@H+]([C@H](C)c3cc([N+](=O)[O-])ccc3C)C2)[nH]1 ZINC000272203091 455875562 /nfs/dbraw/zinc/87/55/62/455875562.db2.gz AXXWQXWALAUENP-OCCSQVGLSA-N 1 0 329.404 3.270 20 5 EGBDRO CCOc1cc(NC[C@@H]2[NH2+]CCc3ccccc32)ccc1[N+](=O)[O-] ZINC000261626411 455916291 /nfs/dbraw/zinc/91/62/91/455916291.db2.gz GVKKLKKXYWMEQG-INIZCTEOSA-N 1 0 327.384 3.292 20 5 EGBDRO CS[C@H]1CC[N@@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000296366246 455919222 /nfs/dbraw/zinc/91/92/22/455919222.db2.gz RFDGYCCBPTWMQA-GWCFXTLKSA-N 1 0 334.401 3.143 20 5 EGBDRO O=[N+]([O-])c1cccc(C[NH2+]CCCOCCOCc2ccccc2)c1 ZINC000272393314 455935974 /nfs/dbraw/zinc/93/59/74/455935974.db2.gz AFKVEMBMEWSYSA-UHFFFAOYSA-N 1 0 344.411 3.308 20 5 EGBDRO C[C@@](O)(C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(F)(F)F ZINC000270452032 455957704 /nfs/dbraw/zinc/95/77/04/455957704.db2.gz CNUKGTDMXWZURX-CQSZACIVSA-N 1 0 344.289 3.258 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](CC(C)C)C[NH+]1CCCC1 ZINC000296519500 455961202 /nfs/dbraw/zinc/96/12/02/455961202.db2.gz VMCFWIFIXIPNIS-HNNXBMFYSA-N 1 0 333.432 3.144 20 5 EGBDRO O=[N+]([O-])c1cnc(NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)s1 ZINC000195511859 455973828 /nfs/dbraw/zinc/97/38/28/455973828.db2.gz YYKVCTLJQFCITH-NSHDSACASA-N 1 0 338.458 3.437 20 5 EGBDRO Cc1nc(C[C@H]2CCC[N@@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)C2)no1 ZINC000195517991 455976087 /nfs/dbraw/zinc/97/60/87/455976087.db2.gz HKBRZDWTDPSNCW-GXTWGEPZSA-N 1 0 330.388 3.302 20 5 EGBDRO COC[C@]1(C)CC[N@@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000296577741 455979248 /nfs/dbraw/zinc/97/92/48/455979248.db2.gz DPPQRVGOVMOEOR-SJKOYZFVSA-N 1 0 346.387 3.064 20 5 EGBDRO COC(=O)c1csc([C@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])c1 ZINC000286141258 455985813 /nfs/dbraw/zinc/98/58/13/455985813.db2.gz OYOQUDCCJYBSEC-NSHDSACASA-N 1 0 334.397 3.336 20 5 EGBDRO CC(=O)c1cc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)ccc1[N+](=O)[O-] ZINC000286195414 455999016 /nfs/dbraw/zinc/99/90/16/455999016.db2.gz LXXGXGZWZDNEDH-KBXCAEBGSA-N 1 0 343.427 3.251 20 5 EGBDRO CN(c1nc2ccccc2cc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000286234726 456006057 /nfs/dbraw/zinc/00/60/57/456006057.db2.gz CYTQFARAOIFRQW-YIONKMFJSA-N 1 0 326.400 3.204 20 5 EGBDRO COC[C@H](C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)OC ZINC000272632594 456019275 /nfs/dbraw/zinc/01/92/75/456019275.db2.gz BGEZOEIEGPEMNM-LBPRGKRZSA-N 1 0 336.413 3.074 20 5 EGBDRO CCS[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000286308597 456020925 /nfs/dbraw/zinc/02/09/25/456020925.db2.gz VZYWCTJQKAQDDT-HUUCEWRRSA-N 1 0 337.445 3.106 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000296951207 456073146 /nfs/dbraw/zinc/07/31/46/456073146.db2.gz REBIKLKCKKRPMV-CYBMUJFWSA-N 1 0 346.431 3.241 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]CCOCC(F)F ZINC000188748926 456127808 /nfs/dbraw/zinc/12/78/08/456127808.db2.gz HTSKEWMDXVAFEG-TZMCWYRMSA-N 1 0 328.359 3.177 20 5 EGBDRO CCCN(CCC[NH+](C)C)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000188802643 456141147 /nfs/dbraw/zinc/14/11/47/456141147.db2.gz AYWGBCRTJATMJX-CQSZACIVSA-N 1 0 336.436 3.029 20 5 EGBDRO Cc1nc(NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000301623673 456166212 /nfs/dbraw/zinc/16/62/12/456166212.db2.gz GHHZIFCLFPXEIV-KRWDZBQOSA-N 1 0 340.427 3.275 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000273079497 456172046 /nfs/dbraw/zinc/17/20/46/456172046.db2.gz HAVDOEBKLCRLAH-QGZVFWFLSA-N 1 0 341.411 3.082 20 5 EGBDRO C[C@]1([NH2+]Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CCO[C@@H]1C1CC1 ZINC000273110583 456181175 /nfs/dbraw/zinc/18/11/75/456181175.db2.gz XLBALHREKRGHLD-AEFFLSMTSA-N 1 0 343.383 3.297 20 5 EGBDRO Cc1ccc(C(=O)NC[C@@H]([NH3+])c2ccc(C(C)C)cc2)cc1[N+](=O)[O-] ZINC000236776184 456181629 /nfs/dbraw/zinc/18/16/29/456181629.db2.gz LROFKGICUTWCCF-QGZVFWFLSA-N 1 0 341.411 3.456 20 5 EGBDRO CCCC(=O)NC[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000263781541 456221624 /nfs/dbraw/zinc/22/16/24/456221624.db2.gz VNBUGUJFJFYHQD-OAHLLOKOSA-N 1 0 333.432 3.032 20 5 EGBDRO C[C@H](Nc1c(Br)cncc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000301871831 456237980 /nfs/dbraw/zinc/23/79/80/456237980.db2.gz HLQCMHMSIAISCJ-VIFPVBQESA-N 1 0 345.241 3.141 20 5 EGBDRO COc1ccc(CNC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000237188411 456244133 /nfs/dbraw/zinc/24/41/33/456244133.db2.gz KLQULXDCTFFTGN-RDTXWAMCSA-N 1 0 335.448 3.204 20 5 EGBDRO C[C@H]1C[C@H](NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000334042723 456290176 /nfs/dbraw/zinc/29/01/76/456290176.db2.gz XAPBBMKMAJDWAR-GXTWGEPZSA-N 1 0 333.432 3.105 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]([C@H](C)C1CC1)C1CC1 ZINC000297816118 456300893 /nfs/dbraw/zinc/30/08/93/456300893.db2.gz IWKCYUWLUQTXCD-GFCCVEGCSA-N 1 0 347.415 3.195 20 5 EGBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000336790701 456309107 /nfs/dbraw/zinc/30/91/07/456309107.db2.gz LUYKATLLKTZWPJ-CJNGLKHVSA-N 1 0 343.431 3.195 20 5 EGBDRO COc1cc(C[NH2+][C@H]2CSC[C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000352795763 456316785 /nfs/dbraw/zinc/31/67/85/456316785.db2.gz FFPZPKFLVQNURH-SCZZXKLOSA-N 1 0 348.371 3.046 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)C1CCCCC1 ZINC000297947056 456331659 /nfs/dbraw/zinc/33/16/59/456331659.db2.gz SLTHOFKPVITLKI-UHFFFAOYSA-N 1 0 335.404 3.197 20 5 EGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1COc2ccccc2[C@H]1O ZINC000290476397 456339260 /nfs/dbraw/zinc/33/92/60/456339260.db2.gz XEYILAYXTJDTRC-ACWOFJMJSA-N 1 0 342.395 3.000 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(C[NH+](C)C)c(F)c2)c1 ZINC000343004147 456351406 /nfs/dbraw/zinc/35/14/06/456351406.db2.gz RHVMHXFVOAJCDJ-UHFFFAOYSA-N 1 0 345.374 3.034 20 5 EGBDRO C[C@@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)[N@@H+]1CCCC[C@H]1C ZINC000343083110 456394702 /nfs/dbraw/zinc/39/47/02/456394702.db2.gz XUEKOLJRQYFLHW-OLZOCXBDSA-N 1 0 345.399 3.334 20 5 EGBDRO Cc1cc(C[NH+](C)C)cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2F)c1 ZINC000340333933 456395808 /nfs/dbraw/zinc/39/58/08/456395808.db2.gz CBTIYXJMMRACLQ-UHFFFAOYSA-N 1 0 345.374 3.285 20 5 EGBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000302835767 456413929 /nfs/dbraw/zinc/41/39/29/456413929.db2.gz VURZXAJNFVWTSM-CQSZACIVSA-N 1 0 341.839 3.061 20 5 EGBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000290836906 456442601 /nfs/dbraw/zinc/44/26/01/456442601.db2.gz INDBGRIREIJFHB-JTQLQIEISA-N 1 0 344.242 3.476 20 5 EGBDRO C[C@@H]1CN(c2ccccc2C[NH2+]Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000298481013 456468888 /nfs/dbraw/zinc/46/88/88/456468888.db2.gz PKJVXTVVPFQLBB-OAHLLOKOSA-N 1 0 341.411 3.110 20 5 EGBDRO CO[C@@](C)(C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)C1CC1 ZINC000291073447 456519138 /nfs/dbraw/zinc/51/91/38/456519138.db2.gz SFNYTOUJMWQNEU-HNNXBMFYSA-N 1 0 330.331 3.101 20 5 EGBDRO C[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1ccc2n[nH]cc2c1 ZINC000353170365 456538217 /nfs/dbraw/zinc/53/82/17/456538217.db2.gz GRGASJYMGOKKEC-GFCCVEGCSA-N 1 0 326.356 3.201 20 5 EGBDRO C[N@@H+]1CCC[C@@H]2CN(c3nc4ccccc4cc3[N+](=O)[O-])CC[C@@H]21 ZINC000276646947 456541075 /nfs/dbraw/zinc/54/10/75/456541075.db2.gz QEJZNLGGWLZAJY-ZBFHGGJFSA-N 1 0 326.400 3.064 20 5 EGBDRO CN(CCc1cccc([N+](=O)[O-])c1)c1cc(N2CCCCC2)ncn1 ZINC000337798928 456553410 /nfs/dbraw/zinc/55/34/10/456553410.db2.gz HCKUSKURTNJCDK-UHFFFAOYSA-N 1 0 341.415 3.054 20 5 EGBDRO O=[N+]([O-])c1cc(CN2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cs1 ZINC000348302534 456606886 /nfs/dbraw/zinc/60/68/86/456606886.db2.gz AHMMQJOQXIVLFT-IAGOWNOFSA-N 1 0 343.452 3.220 20 5 EGBDRO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@H]3CCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000299428116 456691323 /nfs/dbraw/zinc/69/13/23/456691323.db2.gz XKKBHAMBALYZIF-CJNGLKHVSA-N 1 0 347.415 3.197 20 5 EGBDRO Cc1cc(NCCCc2nccs2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000340808191 456695520 /nfs/dbraw/zinc/69/55/20/456695520.db2.gz XBEOARCZJQOGES-UHFFFAOYSA-N 1 0 328.397 3.375 20 5 EGBDRO CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000343570385 456714738 /nfs/dbraw/zinc/71/47/38/456714738.db2.gz MPFVLWPZAOAYJN-OAHLLOKOSA-N 1 0 333.432 3.322 20 5 EGBDRO CC(C)([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccccc1 ZINC000299599328 456739092 /nfs/dbraw/zinc/73/90/92/456739092.db2.gz LFXQDOQHDCHHEZ-UHFFFAOYSA-N 1 0 328.368 3.486 20 5 EGBDRO CC(C)Cc1ccc([C@H](CNc2c([N+](=O)[O-])ncn2C)[NH+](C)C)cc1 ZINC000340903147 456750958 /nfs/dbraw/zinc/75/09/58/456750958.db2.gz RSVLFRUBUPAZMN-INIZCTEOSA-N 1 0 345.447 3.242 20 5 EGBDRO CCC[NH+]1CCC(N(C)c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000299713789 456770312 /nfs/dbraw/zinc/77/03/12/456770312.db2.gz WDJAEBTUULQOFD-UHFFFAOYSA-N 1 0 328.416 3.454 20 5 EGBDRO Cc1cc(NC(=O)NCCC[NH+]2CCCCCC2)ccc1[N+](=O)[O-] ZINC000338325079 456773106 /nfs/dbraw/zinc/77/31/06/456773106.db2.gz PJKNGZWXMFQOFM-UHFFFAOYSA-N 1 0 334.420 3.291 20 5 EGBDRO CCc1nn(C)c(NC[C@H]([NH2+][C@H](C)CC)c2ccco2)c1[N+](=O)[O-] ZINC000340972286 456791886 /nfs/dbraw/zinc/79/18/86/456791886.db2.gz PVPYRKMCFHJQFZ-YPMHNXCESA-N 1 0 335.408 3.025 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCC[C@H]([NH+]3CCCC3)C2)c2ccncc21 ZINC000301119412 456800845 /nfs/dbraw/zinc/80/08/45/456800845.db2.gz VZUDMYAHWBMVMZ-AWEZNQCLSA-N 1 0 326.400 3.208 20 5 EGBDRO COc1cc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])cc(OC)c1 ZINC000348671570 456809371 /nfs/dbraw/zinc/80/93/71/456809371.db2.gz KTBLABJPWBRCKS-UHFFFAOYSA-N 1 0 330.384 3.287 20 5 EGBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000301188683 456817116 /nfs/dbraw/zinc/81/71/16/456817116.db2.gz LFNOKCDITQJECH-KRWDZBQOSA-N 1 0 340.427 3.275 20 5 EGBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000301195567 456819827 /nfs/dbraw/zinc/81/98/27/456819827.db2.gz NVSOFJSBIZTGKR-AWEZNQCLSA-N 1 0 326.400 3.157 20 5 EGBDRO Cc1ccoc1C[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000292105981 456855866 /nfs/dbraw/zinc/85/58/66/456855866.db2.gz GOZABWQWVVVRDT-UHFFFAOYSA-N 1 0 335.335 3.096 20 5 EGBDRO COC(=O)c1cccc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])c1 ZINC000292149956 456868219 /nfs/dbraw/zinc/86/82/19/456868219.db2.gz NJSXQJVFGBONQU-UHFFFAOYSA-N 1 0 328.368 3.406 20 5 EGBDRO Cc1ccc(C)c(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000353725798 456874027 /nfs/dbraw/zinc/87/40/27/456874027.db2.gz XMGQIYVNZQKQFN-MRXNPFEDSA-N 1 0 326.400 3.293 20 5 EGBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1cnn(-c2ccccc2)c1 ZINC000339005376 456895354 /nfs/dbraw/zinc/89/53/54/456895354.db2.gz OJUNFYZXYNPWDQ-UHFFFAOYSA-N 1 0 336.395 3.455 20 5 EGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)[C@H](CO)SC ZINC000349243394 456920951 /nfs/dbraw/zinc/92/09/51/456920951.db2.gz BXPUCBRKIMLKND-JMSVASOKSA-N 1 0 344.502 3.168 20 5 EGBDRO CCC[NH+](CCC)CCCNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000341792103 456946277 /nfs/dbraw/zinc/94/62/77/456946277.db2.gz YRTGLORJORPQMF-UHFFFAOYSA-N 1 0 346.431 3.318 20 5 EGBDRO CCc1ccc(C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000349471683 456974327 /nfs/dbraw/zinc/97/43/27/456974327.db2.gz WATORHQJSQRIIG-CQSZACIVSA-N 1 0 333.432 3.007 20 5 EGBDRO C/C=C\C[C@@H](CO)[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000349820323 457066834 /nfs/dbraw/zinc/06/68/34/457066834.db2.gz FNNBVDVZWYVWLM-SCOBNMCVSA-N 1 0 346.383 3.280 20 5 EGBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000354136328 457087972 /nfs/dbraw/zinc/08/79/72/457087972.db2.gz IZNMMGKDZPMGGU-ZBFHGGJFSA-N 1 0 348.447 3.138 20 5 EGBDRO CCNC(=O)[C@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C(C)C ZINC000339433463 457116682 /nfs/dbraw/zinc/11/66/82/457116682.db2.gz KDSLSMFPULEYJZ-QGZVFWFLSA-N 1 0 345.399 3.105 20 5 EGBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C[C@H]1C ZINC000354435053 457220299 /nfs/dbraw/zinc/22/02/99/457220299.db2.gz QVIKKBPWTWXOPO-CHWSQXEVSA-N 1 0 344.415 3.021 20 5 EGBDRO C[C@@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H](C)[NH+]1C ZINC000354448981 457229944 /nfs/dbraw/zinc/22/99/44/457229944.db2.gz PSAOQSPOIVEMTR-ZIAGYGMSSA-N 1 0 329.400 3.379 20 5 EGBDRO C[C@H]1C[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C(C)(C)C1 ZINC000331690972 457232611 /nfs/dbraw/zinc/23/26/11/457232611.db2.gz XFLOOLFGKQNTDS-GFCCVEGCSA-N 1 0 333.388 3.013 20 5 EGBDRO CC(C)(C)[C@@H]1CCC[N@@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000331694251 457233913 /nfs/dbraw/zinc/23/39/13/457233913.db2.gz YAKYJWHHRHEMQM-INIZCTEOSA-N 1 0 347.415 3.403 20 5 EGBDRO C[C@H](C1CCC1)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000357020634 457281265 /nfs/dbraw/zinc/28/12/65/457281265.db2.gz FYOITKCIBDTQBD-SNVBAGLBSA-N 1 0 325.796 3.307 20 5 EGBDRO CCN(CCC[NH+]1CCCC1)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000347267265 457320112 /nfs/dbraw/zinc/32/01/12/457320112.db2.gz PLLCHWFNSRDRFR-UHFFFAOYSA-N 1 0 338.383 3.074 20 5 EGBDRO CCOCCO[C@@H]1CC[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000347347155 457365597 /nfs/dbraw/zinc/36/55/97/457365597.db2.gz VTWYPIILGGYJCH-VHUCWBOISA-N 1 0 334.416 3.126 20 5 EGBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccc(-n2ccnc2)cc1 ZINC000352549926 457459574 /nfs/dbraw/zinc/45/95/74/457459574.db2.gz JGALOQGFYNYWHG-UHFFFAOYSA-N 1 0 336.395 3.455 20 5 EGBDRO Cc1nc(S[C@H]2CCC[N@H+](Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000425280515 457481334 /nfs/dbraw/zinc/48/13/34/457481334.db2.gz KGRKWMCKFAASRE-HNNXBMFYSA-N 1 0 344.440 3.450 20 5 EGBDRO C[C@@H]1CN(Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000352681608 457525403 /nfs/dbraw/zinc/52/54/03/457525403.db2.gz NCBFMTIMHNKWRN-OAHLLOKOSA-N 1 0 340.427 3.156 20 5 EGBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000361153849 457616707 /nfs/dbraw/zinc/61/67/07/457616707.db2.gz KRQZTJUKJJMOGO-KBPBESRZSA-N 1 0 329.400 3.379 20 5 EGBDRO COc1cccc(CN(CC[NH+](C)C)c2ccccc2[N+](=O)[O-])c1 ZINC000357669367 457648558 /nfs/dbraw/zinc/64/85/58/457648558.db2.gz CLHFVRNUTLDFPS-UHFFFAOYSA-N 1 0 329.400 3.172 20 5 EGBDRO NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000433058277 457655019 /nfs/dbraw/zinc/65/50/19/457655019.db2.gz KJVDHVJOFCQXET-MRXNPFEDSA-N 1 0 339.395 3.073 20 5 EGBDRO O=C(Cc1ccccc1[N+](=O)[O-])NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000370622978 457684854 /nfs/dbraw/zinc/68/48/54/457684854.db2.gz SZQLSFGYYUBOAZ-QGZVFWFLSA-N 1 0 345.443 3.051 20 5 EGBDRO CCOc1ccc([C@@H](C)[NH2+]CCc2nc(C)oc2C)cc1[N+](=O)[O-] ZINC000357796051 457693077 /nfs/dbraw/zinc/69/30/77/457693077.db2.gz PFFMGXNGELJONZ-LLVKDONJSA-N 1 0 333.388 3.492 20 5 EGBDRO Cc1c([C@H](C)[NH2+][C@H]2CC(=O)N(c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000357798065 457693855 /nfs/dbraw/zinc/69/38/55/457693855.db2.gz SIZXCICHFLJMAC-GJZGRUSLSA-N 1 0 339.395 3.359 20 5 EGBDRO C[C@H]([NH2+][C@@H]1CC(=O)N(C)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000358083292 457773594 /nfs/dbraw/zinc/77/35/94/457773594.db2.gz KRIBHSQPOUQJLE-NWDGAFQWSA-N 1 0 345.424 3.205 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@H](C)C[C@@H](C)C1 ZINC000443663727 457801422 /nfs/dbraw/zinc/80/14/22/457801422.db2.gz YQRKJUUHQCIETA-MJBXVCDLSA-N 1 0 349.431 3.298 20 5 EGBDRO COc1cc(C[N@@H+]2CCC3(CCOCC3)[C@H]2C)c([N+](=O)[O-])cc1F ZINC000375144728 457809320 /nfs/dbraw/zinc/80/93/20/457809320.db2.gz ZFBHMZATAZKRNG-GFCCVEGCSA-N 1 0 338.379 3.134 20 5 EGBDRO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@H](C)C(C)C ZINC000411196687 457826843 /nfs/dbraw/zinc/82/68/43/457826843.db2.gz JVTVTUSHRACYKJ-CYBMUJFWSA-N 1 0 337.420 3.298 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@H](C)C1(C)CC1 ZINC000411340638 457861511 /nfs/dbraw/zinc/86/15/11/457861511.db2.gz XXOVOSUQBCVSOB-GFCCVEGCSA-N 1 0 335.404 3.052 20 5 EGBDRO C[C@H]([NH2+]C[C@@H]1COCCO1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000358214812 457864325 /nfs/dbraw/zinc/86/43/25/457864325.db2.gz FIECCKPOCYUYSA-QWHCGFSZSA-N 1 0 348.424 3.389 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+]([C@H]3C[C@H]3c3cccc(F)c3)C2)nc1 ZINC000411372985 457868254 /nfs/dbraw/zinc/86/82/54/457868254.db2.gz GSKPIAVIEBHHRP-PVAVHDDUSA-N 1 0 342.374 3.171 20 5 EGBDRO O=C(CC[NH2+]C1(c2ccccc2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411463456 457895265 /nfs/dbraw/zinc/89/52/65/457895265.db2.gz ZZCKMESWZLOJNB-UHFFFAOYSA-N 1 0 325.368 3.202 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1CCCCC1(C)C ZINC000411546126 457916563 /nfs/dbraw/zinc/91/65/63/457916563.db2.gz AFVZPQYQBPAGMC-MRXNPFEDSA-N 1 0 349.431 3.490 20 5 EGBDRO CC[C@@H]1CCCC[C@H]1[N@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000444675658 457935320 /nfs/dbraw/zinc/93/53/20/457935320.db2.gz MIEQCYLPDPPYCL-RHSMWYFYSA-N 1 0 345.443 3.385 20 5 EGBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000358344493 457948598 /nfs/dbraw/zinc/94/85/98/457948598.db2.gz VRRJTKKNBFEMBS-CHWSQXEVSA-N 1 0 339.411 3.074 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1ccc(CN2CC[C@@H]3[NH2+]CC[C@H]3C2)o1 ZINC000427138855 457949080 /nfs/dbraw/zinc/94/90/80/457949080.db2.gz ZNULIDBAUYLQBF-BBRMVZONSA-N 1 0 327.384 3.039 20 5 EGBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC3(CCC[N@@H+]3C)CC2)c1 ZINC000371495023 457962334 /nfs/dbraw/zinc/96/23/34/457962334.db2.gz ANGRVIVMQHTWBA-UHFFFAOYSA-N 1 0 349.456 3.017 20 5 EGBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCSC2(CCC2)CC1 ZINC000411863286 457995441 /nfs/dbraw/zinc/99/54/41/457995441.db2.gz BXQOCVDCMAKZMT-ZDUSSCGKSA-N 1 0 349.456 3.283 20 5 EGBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCSC2(CCC2)CC1 ZINC000411871840 457998854 /nfs/dbraw/zinc/99/88/54/457998854.db2.gz TUHUSXUGKCJIMD-ZDUSSCGKSA-N 1 0 349.456 3.283 20 5 EGBDRO Cc1cccc(O[C@@H]2CCCC[C@H]2[NH2+]Cc2c([N+](=O)[O-])ncn2C)c1 ZINC000362020170 458009343 /nfs/dbraw/zinc/00/93/43/458009343.db2.gz WSYHIKKBSVJFEO-NVXWUHKLSA-N 1 0 344.415 3.117 20 5 EGBDRO Cc1ccc(NC(=O)c2ccc(NCC[NH+](C)C)c([N+](=O)[O-])c2)cc1 ZINC000358473024 458023078 /nfs/dbraw/zinc/02/30/78/458023078.db2.gz UQXZKJUJGXLIFU-UHFFFAOYSA-N 1 0 342.399 3.129 20 5 EGBDRO CO[C@](C)([C@@H](C)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C1CC1 ZINC000411977012 458028482 /nfs/dbraw/zinc/02/84/82/458028482.db2.gz XMECQBFWZMZPQW-FZKQIMNGSA-N 1 0 349.431 3.025 20 5 EGBDRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000458526563 458082716 /nfs/dbraw/zinc/08/27/16/458082716.db2.gz XYAHGRHFSWFERP-GOEBONIOSA-N 1 0 348.447 3.090 20 5 EGBDRO O=C1[C@H]([N@@H+]2CCCC3(CCCC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000445839479 458098132 /nfs/dbraw/zinc/09/81/32/458098132.db2.gz BNCULPCKILBHHX-QGZVFWFLSA-N 1 0 343.427 3.356 20 5 EGBDRO O=[N+]([O-])c1cc(CN(Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cs1 ZINC000435391740 458136244 /nfs/dbraw/zinc/13/62/44/458136244.db2.gz UDQIEZVLWJVLMH-MRXNPFEDSA-N 1 0 346.456 3.196 20 5 EGBDRO CCN(Cc1cc([N+](=O)[O-])ccc1OC(C)C)[C@@H]1CCC[NH2+]CC1 ZINC000435615730 458173570 /nfs/dbraw/zinc/17/35/70/458173570.db2.gz IUHIWHATLUWTAW-MRXNPFEDSA-N 1 0 335.448 3.346 20 5 EGBDRO Cn1cnc([N+](=O)[O-])c1C[N@H+](CCc1cccc(F)c1)C1CCCC1 ZINC000362485606 458209316 /nfs/dbraw/zinc/20/93/16/458209316.db2.gz PFBMYCSJJNZGSK-UHFFFAOYSA-N 1 0 346.406 3.455 20 5 EGBDRO Cc1c(CC(=O)Nc2ccc(C[NH+](C)C)cc2F)cccc1[N+](=O)[O-] ZINC000412561688 458234015 /nfs/dbraw/zinc/23/40/15/458234015.db2.gz UOIPBOFYLYVONG-UHFFFAOYSA-N 1 0 345.374 3.285 20 5 EGBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000429027567 458261243 /nfs/dbraw/zinc/26/12/43/458261243.db2.gz MLPHLMGIKXBACZ-XNJGSVPQSA-N 1 0 337.851 3.410 20 5 EGBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C/C=C/c3ccc(F)cc3)CC2)n1 ZINC000369555805 458264610 /nfs/dbraw/zinc/26/46/10/458264610.db2.gz GULZCNNYPSEJPK-OWOJBTEDSA-N 1 0 330.363 3.281 20 5 EGBDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000447517114 458303044 /nfs/dbraw/zinc/30/30/44/458303044.db2.gz JLSLCKJTRJLXGM-HZPDHXFCSA-N 1 0 330.388 3.073 20 5 EGBDRO CCc1nc(CC[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cs1 ZINC000447528081 458305842 /nfs/dbraw/zinc/30/58/42/458305842.db2.gz HZUZYXVPXYPSMB-KBPBESRZSA-N 1 0 349.460 3.126 20 5 EGBDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cccc4cccnc43)CC2)n1 ZINC000369698576 458318335 /nfs/dbraw/zinc/31/83/35/458318335.db2.gz WLSOAXPXEOGIJA-UHFFFAOYSA-N 1 0 337.383 3.177 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000447910777 458365443 /nfs/dbraw/zinc/36/54/43/458365443.db2.gz DHPCLEDIJNFZGC-HNNXBMFYSA-N 1 0 334.420 3.145 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](CCO)[C@@H]1CC[C@@H](C)C1 ZINC000429758762 458367647 /nfs/dbraw/zinc/36/76/47/458367647.db2.gz JOBLUSQIMIDAHC-GDBMZVCRSA-N 1 0 336.432 3.365 20 5 EGBDRO CC(C)(CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000429851893 458378190 /nfs/dbraw/zinc/37/81/90/458378190.db2.gz RZKRNINUZFSRSO-UHFFFAOYSA-N 1 0 347.459 3.253 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000468484325 458520268 /nfs/dbraw/zinc/52/02/68/458520268.db2.gz RRUWSTWPLZUCFL-OAHLLOKOSA-N 1 0 347.459 3.370 20 5 EGBDRO CN(C(=O)C[N@H+](C)C1CCC(C)(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000438483288 458584140 /nfs/dbraw/zinc/58/41/40/458584140.db2.gz MKYPDXJSEUAQRD-UHFFFAOYSA-N 1 0 333.432 3.458 20 5 EGBDRO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[C@H]1C ZINC000470147070 458616243 /nfs/dbraw/zinc/61/62/43/458616243.db2.gz CEEXRMXWVOSTFX-BLLLJJGKSA-N 1 0 344.367 3.238 20 5 EGBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC000462607154 458634330 /nfs/dbraw/zinc/63/43/30/458634330.db2.gz NJTBZJFSVLGPHY-ZMSDIMECSA-N 1 0 347.459 3.105 20 5 EGBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCC[N@H+](CC)C1 ZINC000462762786 458651347 /nfs/dbraw/zinc/65/13/47/458651347.db2.gz OAKATCBVVZRAMS-SJORKVTESA-N 1 0 347.459 3.012 20 5 EGBDRO C[C@H]1C[N@H+](CCCNc2c(Cl)cccc2[N+](=O)[O-])CCCO1 ZINC000432141826 458689072 /nfs/dbraw/zinc/68/90/72/458689072.db2.gz XLJJCSJZUQHTHV-LBPRGKRZSA-N 1 0 327.812 3.161 20 5 EGBDRO CC[NH+](CC)CCO[C@@H]1CCN(c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000432327468 458716968 /nfs/dbraw/zinc/71/69/68/458716968.db2.gz SYTOVICMWSQASU-CYBMUJFWSA-N 1 0 341.839 3.185 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCC[N@H+]1CC(C)C ZINC000439680384 458737899 /nfs/dbraw/zinc/73/78/99/458737899.db2.gz DRPSFPQTFVIXSO-INIZCTEOSA-N 1 0 333.432 3.144 20 5 EGBDRO Cc1c(CC(=O)NC[C@H]2CCCC[N@H+]2CC(C)C)cccc1[N+](=O)[O-] ZINC000439692043 458742193 /nfs/dbraw/zinc/74/21/93/458742193.db2.gz IINZEBMROROZTO-QGZVFWFLSA-N 1 0 347.459 3.072 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3scnc3C3CC3)C2)nc1 ZINC000494940499 458769104 /nfs/dbraw/zinc/76/91/04/458769104.db2.gz SPWNTWQYEBJQPB-GFCCVEGCSA-N 1 0 345.428 3.010 20 5 EGBDRO Cc1ccc([C@H]2CCC[C@H]2[N@H+](C)CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000472252152 458777572 /nfs/dbraw/zinc/77/75/72/458777572.db2.gz QPWJZXAQLBUKOE-QZTJIDSGSA-N 1 0 328.416 3.368 20 5 EGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCc2ccccc2F)n1 ZINC000472614877 458805051 /nfs/dbraw/zinc/80/50/51/458805051.db2.gz WKTMYBUJLHJXEB-JKSUJKDBSA-N 1 0 332.379 3.246 20 5 EGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1Cc2cccc(O)c2C1 ZINC000433040087 458832073 /nfs/dbraw/zinc/83/20/73/458832073.db2.gz PDHNCKGHOUQKBY-CZUORRHYSA-N 1 0 326.396 3.379 20 5 EGBDRO CC(C)c1ccc(C(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000457082809 458858208 /nfs/dbraw/zinc/85/82/08/458858208.db2.gz FBBQIIPVGQXEON-HNNXBMFYSA-N 1 0 333.432 3.273 20 5 EGBDRO CC[C@H](O)C[N@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000441072176 458883982 /nfs/dbraw/zinc/88/39/82/458883982.db2.gz ZUKFPQYDQIELQX-SFHVURJKSA-N 1 0 344.411 3.247 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](CO)CC1CCCC1 ZINC000466426600 458899482 /nfs/dbraw/zinc/89/94/82/458899482.db2.gz VLYOPLILDJHEFI-HNNXBMFYSA-N 1 0 336.432 3.272 20 5 EGBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000519047233 458910637 /nfs/dbraw/zinc/91/06/37/458910637.db2.gz SAKPGYMYBQHBEO-QKPAOTATSA-N 1 0 347.459 3.181 20 5 EGBDRO CC(C)(C)OC(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000495659512 458911008 /nfs/dbraw/zinc/91/10/08/458911008.db2.gz SZWSUCHOPDEWFT-GOSISDBHSA-N 1 0 349.431 3.332 20 5 EGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@@H](CO)c1ccc(F)cc1 ZINC000566475031 458944636 /nfs/dbraw/zinc/94/46/36/458944636.db2.gz ITVQNCTUVRBFAV-SUMWQHHRSA-N 1 0 330.359 3.087 20 5 EGBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](CC(C)C)C2)c([N+](=O)[O-])c1 ZINC000467161069 458954535 /nfs/dbraw/zinc/95/45/35/458954535.db2.gz VIWWTDZKLMJFBY-AWEZNQCLSA-N 1 0 349.431 3.300 20 5 EGBDRO CC[C@H]1C[C@@H](C)C[N@@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000467208544 458958949 /nfs/dbraw/zinc/95/89/49/458958949.db2.gz UDNBKNHZNHTOER-OLZOCXBDSA-N 1 0 333.388 3.013 20 5 EGBDRO CC1(C)C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]2CCC[C@@H]21 ZINC000577045514 458969834 /nfs/dbraw/zinc/96/98/34/458969834.db2.gz UOKSOQBKJPKQFG-DZGCQCFKSA-N 1 0 331.416 3.434 20 5 EGBDRO COc1ccc([C@H](CCO)[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000594500879 459063763 /nfs/dbraw/zinc/06/37/63/459063763.db2.gz BWJDCGRTPUREGR-ZWKOTPCHSA-N 1 0 342.395 3.304 20 5 EGBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCc3ccccc3[C@@H]2c2ccccc2)n1 ZINC000478016219 459071078 /nfs/dbraw/zinc/07/10/78/459071078.db2.gz KWHKOBBBQPHNFJ-FQEVSTJZSA-N 1 0 348.406 3.439 20 5 EGBDRO C[C@@H](C(=O)Nc1cccc2c1CN(C)C2)c1cccc([N+](=O)[O-])c1 ZINC000567323555 459085699 /nfs/dbraw/zinc/08/56/99/459085699.db2.gz UJMSYSILEYMJOV-GFCCVEGCSA-N 1 0 325.368 3.282 20 5 EGBDRO O=[N+]([O-])c1cnc(N[C@H]2CCC[N@@H+]3CCCC[C@H]23)c(C(F)(F)F)c1 ZINC000594596661 459103258 /nfs/dbraw/zinc/10/32/58/459103258.db2.gz AZVSQQMRWZSSAI-QWHCGFSZSA-N 1 0 344.337 3.437 20 5 EGBDRO C[C@@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)C(F)(F)F ZINC000479580910 459150764 /nfs/dbraw/zinc/15/07/64/459150764.db2.gz HNDLGSNWBHNZIY-ZETCQYMHSA-N 1 0 328.237 3.484 20 5 EGBDRO CC(C)(CC[NH+]1CCCCCC1)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000480059372 459179906 /nfs/dbraw/zinc/17/99/06/459179906.db2.gz MUBHJWCBTYKLCR-UHFFFAOYSA-N 1 0 333.432 3.369 20 5 EGBDRO Cn1cc([C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3F)CC2(C)C)cn1 ZINC000578375937 459189990 /nfs/dbraw/zinc/18/99/90/459189990.db2.gz LJTSLXLFEIITGU-HNNXBMFYSA-N 1 0 332.379 3.093 20 5 EGBDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000521924720 459194107 /nfs/dbraw/zinc/19/41/07/459194107.db2.gz GPLGKUMJZFNFTN-AWEZNQCLSA-N 1 0 333.432 3.225 20 5 EGBDRO CC1(C)[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@H]2CCCO[C@@H]21 ZINC000590756330 459206967 /nfs/dbraw/zinc/20/69/67/459206967.db2.gz OJZNKOGQWPFWHW-LYRGGWFBSA-N 1 0 331.372 3.029 20 5 EGBDRO CCCN1CC[C@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000594991911 459207122 /nfs/dbraw/zinc/20/71/22/459207122.db2.gz NFJLYLWLDZWIJI-HNNXBMFYSA-N 1 0 329.400 3.429 20 5 EGBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H](C)C(F)(F)F ZINC000480656648 459210799 /nfs/dbraw/zinc/21/07/99/459210799.db2.gz BLFLDJDDOFEIDV-UWVGGRQHSA-N 1 0 333.310 3.100 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC000595003372 459211087 /nfs/dbraw/zinc/21/10/87/459211087.db2.gz FEXJKUTUPUBXPC-DOMZBBRYSA-N 1 0 328.368 3.258 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H](C)Cc1c(C)noc1C ZINC000595007052 459212333 /nfs/dbraw/zinc/21/23/33/459212333.db2.gz FJTIHYBBNOCVSU-GHMZBOCLSA-N 1 0 333.388 3.490 20 5 EGBDRO CCOc1ccc(NC(=O)C[N@@H+]2CCCC[C@H]2C(C)C)c([N+](=O)[O-])c1 ZINC000533298978 459214917 /nfs/dbraw/zinc/21/49/17/459214917.db2.gz XVULHVSMQURDID-INIZCTEOSA-N 1 0 349.431 3.443 20 5 EGBDRO CCC1CCC([N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000533310322 459218642 /nfs/dbraw/zinc/21/86/42/459218642.db2.gz LVIIELQNICECHI-UHFFFAOYSA-N 1 0 349.431 3.443 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](C)[C@@H](O)Cc1ccccc1 ZINC000595022539 459219757 /nfs/dbraw/zinc/21/97/57/459219757.db2.gz MPPCNTVKDNTOHC-DEYYWGMASA-N 1 0 344.411 3.246 20 5 EGBDRO CC(C)[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000533371049 459226582 /nfs/dbraw/zinc/22/65/82/459226582.db2.gz TXUYRKGGICXQMJ-QGZVFWFLSA-N 1 0 336.432 3.378 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000595258153 459264155 /nfs/dbraw/zinc/26/41/55/459264155.db2.gz LSQGDTSNPCBWCF-MLGOLLRUSA-N 1 0 333.432 3.191 20 5 EGBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC=C(c3ccccn3)C2)c1 ZINC000559641590 459270285 /nfs/dbraw/zinc/27/02/85/459270285.db2.gz ZQQVMXYBRHQRLK-UHFFFAOYSA-N 1 0 325.368 3.158 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@@H](OCC(F)(F)F)C2)cc1 ZINC000523441395 459304161 /nfs/dbraw/zinc/30/41/61/459304161.db2.gz PUVUYHUQPZZTLX-CQSZACIVSA-N 1 0 332.322 3.181 20 5 EGBDRO C[N@@H+]1CCC[C@H]2CN(c3nccc4ccc([N+](=O)[O-])cc43)CC[C@@H]21 ZINC000591151130 459323553 /nfs/dbraw/zinc/32/35/53/459323553.db2.gz UMDAPFIOENKNLT-YOEHRIQHSA-N 1 0 326.400 3.064 20 5 EGBDRO O=[N+]([O-])c1ccc(CCN2CCC([NH2+]Cc3ccccc3)CC2)cc1 ZINC000595511466 459330581 /nfs/dbraw/zinc/33/05/81/459330581.db2.gz QYLSQXXDEYKAMZ-UHFFFAOYSA-N 1 0 339.439 3.392 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@H](CO)Cc1ccco1)CCCC2 ZINC000591347992 459358232 /nfs/dbraw/zinc/35/82/32/459358232.db2.gz PLWVAHHXMBTJNX-KUHUBIRLSA-N 1 0 344.411 3.396 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCOC[C@@H]1CCOC1)CCCC2 ZINC000591347961 459358774 /nfs/dbraw/zinc/35/87/74/459358774.db2.gz LKIZVNBZZROPKA-KDOFPFPSSA-N 1 0 334.416 3.005 20 5 EGBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@H](c2cccnc2)C2CCC2)cc1 ZINC000582581205 459388287 /nfs/dbraw/zinc/38/82/87/459388287.db2.gz FPRIAPGMBDCHCG-SFHVURJKSA-N 1 0 327.384 3.500 20 5 EGBDRO CC[C@H](C)[C@H]1CCCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000524811735 459396137 /nfs/dbraw/zinc/39/61/37/459396137.db2.gz IJMLJLIRYMBLAM-YXJHDRRASA-N 1 0 336.432 3.235 20 5 EGBDRO [NH3+][C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)C1 ZINC000591669025 459419990 /nfs/dbraw/zinc/41/99/90/459419990.db2.gz NNHYLZGCSXTDEQ-GFCCVEGCSA-N 1 0 349.456 3.193 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC([C@@H]2CCCCO2)CC1 ZINC000595789641 459440958 /nfs/dbraw/zinc/44/09/58/459440958.db2.gz RMLIOEKWJUCYIJ-SFHVURJKSA-N 1 0 334.416 3.385 20 5 EGBDRO COc1ccc(C[N@@H+]2CC[C@@H](N(C)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000595827974 459455271 /nfs/dbraw/zinc/45/52/71/459455271.db2.gz SIIQPYJBCBLGGD-QGZVFWFLSA-N 1 0 341.411 3.314 20 5 EGBDRO CSCCCCC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000569792271 459510012 /nfs/dbraw/zinc/51/00/12/459510012.db2.gz WLTOIJBDABGMRD-UONOGXRCSA-N 1 0 326.466 3.398 20 5 EGBDRO CCn1nccc1C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000596095990 459519061 /nfs/dbraw/zinc/51/90/61/459519061.db2.gz SQYWJJCNQFAHEX-RHSMWYFYSA-N 1 0 328.416 3.312 20 5 EGBDRO Cc1cccc(CC[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000592070047 459519932 /nfs/dbraw/zinc/51/99/32/459519932.db2.gz CODXNHDDEYDPCK-UHFFFAOYSA-N 1 0 341.411 3.384 20 5 EGBDRO CN(CC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])Cc1ccccc1 ZINC000569868434 459522962 /nfs/dbraw/zinc/52/29/62/459522962.db2.gz YEJDOCFDCOTQFR-SFHVURJKSA-N 1 0 325.412 3.304 20 5 EGBDRO C[C@]1(Cc2ccccc2F)CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000592144055 459536725 /nfs/dbraw/zinc/53/67/25/459536725.db2.gz ZOAOXEYOIJQYGS-QGZVFWFLSA-N 1 0 332.379 3.028 20 5 EGBDRO O=C1CC[C@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)c2ccccc2N1 ZINC000542494480 459562216 /nfs/dbraw/zinc/56/22/16/459562216.db2.gz KAMCSVPIDTXGLG-INIZCTEOSA-N 1 0 341.367 3.037 20 5 EGBDRO O=C(N[C@H]1CCC[NH2+]C1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000592289762 459572049 /nfs/dbraw/zinc/57/20/49/459572049.db2.gz OQNRFXJCKOIIDI-LBPRGKRZSA-N 1 0 349.456 3.111 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000583663876 459576316 /nfs/dbraw/zinc/57/63/16/459576316.db2.gz ZCMILWTUZILMAR-ZFWWWQNUSA-N 1 0 348.447 3.494 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)o1 ZINC000572843080 459584163 /nfs/dbraw/zinc/58/41/63/459584163.db2.gz KWIOYLCTMOVWCY-DYVFJYSZSA-N 1 0 328.368 3.466 20 5 EGBDRO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C12CCC2 ZINC000583805262 459599204 /nfs/dbraw/zinc/59/92/04/459599204.db2.gz HDTQBQDQBDKJFI-LVQVYYBASA-N 1 0 348.447 3.212 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H](CO)c2cccc(Cl)c2F)cc1 ZINC000499939038 459658291 /nfs/dbraw/zinc/65/82/91/459658291.db2.gz NAEGLMHKXDQLLH-HNNXBMFYSA-N 1 0 338.766 3.253 20 5 EGBDRO CS[C@@H](C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000573359883 459665853 /nfs/dbraw/zinc/66/58/53/459665853.db2.gz PUWXZGSSBGWPPU-AWEZNQCLSA-N 1 0 339.461 3.291 20 5 EGBDRO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2CC(C)C)c([N+](=O)[O-])c1 ZINC000500454283 459679501 /nfs/dbraw/zinc/67/95/01/459679501.db2.gz DIYIZXVYYYIIDH-CQSZACIVSA-N 1 0 349.431 3.443 20 5 EGBDRO O=[N+]([O-])c1ccc2nc(NC[C@@H]3CCC[N@H+](CC4CC4)C3)ccc2c1 ZINC000596570836 459680261 /nfs/dbraw/zinc/68/02/61/459680261.db2.gz OLTFFXDVBFWDFK-HNNXBMFYSA-N 1 0 340.427 3.099 20 5 EGBDRO O=[N+]([O-])c1ccc2c(ccnc2NC[C@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000596570731 459680380 /nfs/dbraw/zinc/68/03/80/459680380.db2.gz NDMDSBVFLLNZPB-OAHLLOKOSA-N 1 0 340.427 3.099 20 5 EGBDRO Cc1cccc([C@@H](C)C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000562995408 459690157 /nfs/dbraw/zinc/69/01/57/459690157.db2.gz JUKOPZPBDNGNTM-DOTOQJQBSA-N 1 0 344.411 3.036 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000596633831 459706228 /nfs/dbraw/zinc/70/62/28/459706228.db2.gz DDGMWJYSCGAYDC-OAHLLOKOSA-N 1 0 346.431 3.147 20 5 EGBDRO CCc1cccc(OC[C@@H](O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000584486728 459753362 /nfs/dbraw/zinc/75/33/62/459753362.db2.gz ROPWTVAWXLPXEN-KSSFIOAISA-N 1 0 344.411 3.248 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@H](CO)C2CC2)s1 ZINC000584499340 459754590 /nfs/dbraw/zinc/75/45/90/459754590.db2.gz HIGFIQNBZBJOSN-CYBMUJFWSA-N 1 0 332.425 3.431 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H](OC(C)C)C1 ZINC000593055898 459757973 /nfs/dbraw/zinc/75/79/73/459757973.db2.gz UBOKPKOABPRGND-INIZCTEOSA-N 1 0 349.431 3.121 20 5 EGBDRO COCCc1ccc(OC[C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000597074082 459830520 /nfs/dbraw/zinc/83/05/20/459830520.db2.gz AAWUWOVGICGKAA-OAHLLOKOSA-N 1 0 344.411 3.341 20 5 EGBDRO COc1cc(CN2CCSC[C@H]2C2CC2)c([N+](=O)[O-])cc1F ZINC000574605831 459839560 /nfs/dbraw/zinc/83/95/60/459839560.db2.gz LXTUIUCFHJOCHM-AWEZNQCLSA-N 1 0 326.393 3.070 20 5 EGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000585801378 459851756 /nfs/dbraw/zinc/85/17/56/459851756.db2.gz GPSPJLJTUUIHMS-AAEUAGOBSA-N 1 0 328.372 3.406 20 5 EGBDRO CC(C)c1ccc(C[N@H+](CCOCCO)C2CCC2)cc1[N+](=O)[O-] ZINC000597207193 459878332 /nfs/dbraw/zinc/87/83/32/459878332.db2.gz YHHGVFXQJRIGTB-UHFFFAOYSA-N 1 0 336.432 3.082 20 5 EGBDRO O=[N+]([O-])c1ccc(NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)s1 ZINC000618160300 459910848 /nfs/dbraw/zinc/91/08/48/459910848.db2.gz OLLZHYCHXFBEOJ-OAHLLOKOSA-N 1 0 347.440 3.225 20 5 EGBDRO CCO[C@H]1C[C@@H]1[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000618198596 459931099 /nfs/dbraw/zinc/93/10/99/459931099.db2.gz JYTDMVGADFISBB-YOEHRIQHSA-N 1 0 332.356 3.130 20 5 EGBDRO COC1CC[NH+](C2(CNc3ccc([N+](=O)[O-])s3)CCCC2)CC1 ZINC000609350767 459950321 /nfs/dbraw/zinc/95/03/21/459950321.db2.gz QWHBSJBZPYJACM-UHFFFAOYSA-N 1 0 339.461 3.492 20 5 EGBDRO COc1ccc(-c2ccc(C[N@H+](C)[C@H](C)CCO)o2)c([N+](=O)[O-])c1 ZINC000593694703 459954884 /nfs/dbraw/zinc/95/48/84/459954884.db2.gz QHOQUWFLUVVLSQ-GFCCVEGCSA-N 1 0 334.372 3.066 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCC3=CCCCC3)CC2)cn1 ZINC000602501056 459970354 /nfs/dbraw/zinc/97/03/54/459970354.db2.gz DBAPUUQTHVQJQQ-UHFFFAOYSA-N 1 0 330.432 3.439 20 5 EGBDRO C[C@@H]1CCC[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)[C@@H]1C ZINC000602504464 459972714 /nfs/dbraw/zinc/97/27/14/459972714.db2.gz QNFGGKMWTNCBES-CPUCHLNUSA-N 1 0 332.448 3.373 20 5 EGBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000609530294 459975281 /nfs/dbraw/zinc/97/52/81/459975281.db2.gz BDAFQTLBIANDBD-AWEZNQCLSA-N 1 0 347.440 3.414 20 5 EGBDRO CC1(C)CC[C@@H](CO)[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000598646013 459975981 /nfs/dbraw/zinc/97/59/81/459975981.db2.gz BWPBCUWFPVQNNA-INIZCTEOSA-N 1 0 345.399 3.233 20 5 EGBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602522848 459981073 /nfs/dbraw/zinc/98/10/73/459981073.db2.gz YONDJIFOPLQCBR-MGPQQGTHSA-N 1 0 346.431 3.192 20 5 EGBDRO O=[N+]([O-])c1sc(C[NH2+]CC2(O)CCCCC2)cc1Br ZINC000602528426 459985356 /nfs/dbraw/zinc/98/53/56/459985356.db2.gz UCDAAWWVUQLRHA-UHFFFAOYSA-N 1 0 349.250 3.204 20 5 EGBDRO C[C@@H]1CC[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)[C@@H](C)C1 ZINC000602549497 459992461 /nfs/dbraw/zinc/99/24/61/459992461.db2.gz CTHBUYYGFKHQLC-KEYYUXOJSA-N 1 0 332.448 3.373 20 5 EGBDRO CSC[C@H](C)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602551273 459994277 /nfs/dbraw/zinc/99/42/77/459994277.db2.gz HBNWGXJKTNXPQV-LURJTMIESA-N 1 0 325.253 3.260 20 5 EGBDRO C[C@@H](CCc1cccn1C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602555047 459995999 /nfs/dbraw/zinc/99/59/99/459995999.db2.gz GFQRGRORAYAAAW-LBPRGKRZSA-N 1 0 328.372 3.185 20 5 EGBDRO CCOc1cccc(CC[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)c1 ZINC000602581155 460007301 /nfs/dbraw/zinc/00/73/01/460007301.db2.gz DYYXBIJQOLUXGS-UHFFFAOYSA-N 1 0 341.367 3.467 20 5 EGBDRO O=[N+]([O-])c1sc(C[NH2+][C@@H]2CCCOCC2)cc1Br ZINC000602581445 460008059 /nfs/dbraw/zinc/00/80/59/460008059.db2.gz KLRGYCODQVFHBE-MRVPVSSYSA-N 1 0 335.223 3.078 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@]2(O)CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000602628770 460031619 /nfs/dbraw/zinc/03/16/19/460031619.db2.gz KVGYWRORYVEKLQ-HIFRSBDPSA-N 1 0 346.349 3.211 20 5 EGBDRO CC(C)OC[C@H](CO)[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000575931055 460035840 /nfs/dbraw/zinc/03/58/40/460035840.db2.gz BKYWFUNFJXWYHA-INIZCTEOSA-N 1 0 348.399 3.073 20 5 EGBDRO CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000602637208 460035947 /nfs/dbraw/zinc/03/59/47/460035947.db2.gz MUNJGKDFTUTIKY-KZULUSFZSA-N 1 0 340.383 3.337 20 5 EGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]CCOC(F)(F)F ZINC000602642157 460039338 /nfs/dbraw/zinc/03/93/38/460039338.db2.gz IBVKSWZCAUKHEJ-UHFFFAOYSA-N 1 0 332.200 3.240 20 5 EGBDRO C[C@H]1COCC[C@@H]1C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602655222 460044805 /nfs/dbraw/zinc/04/48/05/460044805.db2.gz NKGLAIXJUPZDAF-WDEREUQCSA-N 1 0 332.322 3.376 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2csc(N3CC[C@@H]([NH+]4CCCC4)C3)n2)cc1 ZINC000575985098 460047114 /nfs/dbraw/zinc/04/71/14/460047114.db2.gz BVDFIEXLTUZGNH-OAHLLOKOSA-N 1 0 344.440 3.393 20 5 EGBDRO C[C@H](O)C[C@@H]1CCCCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602660615 460050853 /nfs/dbraw/zinc/05/08/53/460050853.db2.gz GMZSZFWGGRWZIB-STQMWFEESA-N 1 0 333.388 3.252 20 5 EGBDRO O=C(c1ccc([N+](=O)[O-])s1)N(CC[NH+]1CCCC1)c1ccccc1 ZINC000610051242 460054262 /nfs/dbraw/zinc/05/42/62/460054262.db2.gz LZUJZYDTFQQDKC-UHFFFAOYSA-N 1 0 345.424 3.399 20 5 EGBDRO Cc1cccc2c1OC[C@H]([NH2+]Cc1nc3cc([N+](=O)[O-])ccc3o1)C2 ZINC000602675391 460059795 /nfs/dbraw/zinc/05/97/95/460059795.db2.gz IGSXMHUPLSAIIX-CYBMUJFWSA-N 1 0 339.351 3.138 20 5 EGBDRO CC(C)(C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C1CCC1 ZINC000602676813 460060204 /nfs/dbraw/zinc/06/02/04/460060204.db2.gz RKSYEYWMYULYGZ-UHFFFAOYSA-N 1 0 332.448 3.375 20 5 EGBDRO CC(C)CSCC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000618572313 460067194 /nfs/dbraw/zinc/06/71/94/460067194.db2.gz SFSNTCAUHZLIDD-ZIAGYGMSSA-N 1 0 326.466 3.254 20 5 EGBDRO C[C@@H]1SCC[C@@H]1[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602704956 460077190 /nfs/dbraw/zinc/07/71/90/460077190.db2.gz XOJQVUFBQDQJPA-RCOVLWMOSA-N 1 0 337.264 3.402 20 5 EGBDRO Cc1ccc(NC(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000594059846 460080891 /nfs/dbraw/zinc/08/08/91/460080891.db2.gz XFIARAJHUUKSRJ-LSDHHAIUSA-N 1 0 332.404 3.042 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]Cc3cccc(F)c3F)CC2)cn1 ZINC000602731179 460092582 /nfs/dbraw/zinc/09/25/82/460092582.db2.gz KZGVAVRKOYOVPJ-UHFFFAOYSA-N 1 0 348.353 3.027 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594099745 460100667 /nfs/dbraw/zinc/10/06/67/460100667.db2.gz KHHFPHYWUHCGRC-GDBMZVCRSA-N 1 0 346.431 3.350 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCC[C@H]1[C@@H](C)C[NH+](C)C ZINC000602755398 460107902 /nfs/dbraw/zinc/10/79/02/460107902.db2.gz FIDRGIBJWMKXLT-YOEHRIQHSA-N 1 0 348.447 3.487 20 5 EGBDRO CCn1nncc1C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000598985717 460116886 /nfs/dbraw/zinc/11/68/86/460116886.db2.gz HPPMDKBGONYSIR-UHFFFAOYSA-N 1 0 343.412 3.225 20 5 EGBDRO COc1cccc([C@@H](C[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)OC)c1 ZINC000598988422 460118806 /nfs/dbraw/zinc/11/88/06/460118806.db2.gz QLOUNSDIGQUIEY-GOSISDBHSA-N 1 0 346.383 3.089 20 5 EGBDRO COc1ccc([C@@H]([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)C2CC2)cn1 ZINC000599020916 460129849 /nfs/dbraw/zinc/12/98/49/460129849.db2.gz VSRUUVSNEAVIEA-SFHVURJKSA-N 1 0 343.383 3.248 20 5 EGBDRO CN(CC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)CC(F)F ZINC000599021581 460129865 /nfs/dbraw/zinc/12/98/65/460129865.db2.gz BOGGRIBCFWLSEM-UHFFFAOYSA-N 1 0 339.342 3.141 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](C)c1ccccc1OC(C)C ZINC000602803633 460135581 /nfs/dbraw/zinc/13/55/81/460135581.db2.gz ZJYIWHZWRLBEGI-CYBMUJFWSA-N 1 0 332.404 3.238 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H](c2ccc(C)cc2C)C1 ZINC000602822614 460145013 /nfs/dbraw/zinc/14/50/13/460145013.db2.gz VZVOORVOBUOVQF-INIZCTEOSA-N 1 0 328.416 3.206 20 5 EGBDRO CC[C@H](NC(=O)N[C@@H](C)C1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000610530143 460177219 /nfs/dbraw/zinc/17/72/19/460177219.db2.gz MGEFUTNHCBLVKG-GUYCJALGSA-N 1 0 348.447 3.075 20 5 EGBDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3nccc4ccccc43)CC2)n1 ZINC000618821753 460188284 /nfs/dbraw/zinc/18/82/84/460188284.db2.gz AEUFSHKBWAQSGM-UHFFFAOYSA-N 1 0 337.383 3.177 20 5 EGBDRO CCC(C)(C)[NH+]1CCN(C(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000594389482 460202931 /nfs/dbraw/zinc/20/29/31/460202931.db2.gz JOTIIBBJQWFXJO-AWEZNQCLSA-N 1 0 333.432 3.031 20 5 EGBDRO CC(C)([NH2+]CCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1 ZINC000610662781 460208116 /nfs/dbraw/zinc/20/81/16/460208116.db2.gz WXFPYPGZGNNMGY-UHFFFAOYSA-N 1 0 327.384 3.144 20 5 EGBDRO CC[C@H](C[NH+]1CCCC1)Nc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000610715938 460223596 /nfs/dbraw/zinc/22/35/96/460223596.db2.gz HNNREQOFGOSMFL-LLVKDONJSA-N 1 0 329.347 3.483 20 5 EGBDRO Cc1ccccc1C[N@@H+]1CCCN(c2ccc([N+](=O)[O-])c(C)n2)CC1 ZINC000610754652 460232133 /nfs/dbraw/zinc/23/21/33/460232133.db2.gz VEUPZIQXSNOXOD-UHFFFAOYSA-N 1 0 340.427 3.319 20 5 EGBDRO CN(CCCC[NH+]1CCCCC1)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000603110075 460244741 /nfs/dbraw/zinc/24/47/41/460244741.db2.gz LUYSASQAMOQVSF-UHFFFAOYSA-N 1 0 345.447 3.169 20 5 EGBDRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000610892019 460256456 /nfs/dbraw/zinc/25/64/56/460256456.db2.gz YLPVRVGDGOCYPQ-UHFFFAOYSA-N 1 0 342.399 3.090 20 5 EGBDRO COc1ccc2c(c1)CC[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])CC2 ZINC000611173166 460301599 /nfs/dbraw/zinc/30/15/99/460301599.db2.gz WGBIXDICVZVXLA-UHFFFAOYSA-N 1 0 330.359 3.343 20 5 EGBDRO C[C@@H](Nc1ccc([N+](=O)[O-])c(-c2ccccc2)n1)C1CC[NH+](C)CC1 ZINC000611182218 460303104 /nfs/dbraw/zinc/30/31/04/460303104.db2.gz LYWNLVMNLFUSSS-CQSZACIVSA-N 1 0 340.427 3.221 20 5 EGBDRO O=[N+]([O-])c1ccc(C[N@H+](C[C@@H]2COc3ccccc3O2)C2CC2)cc1 ZINC000611211359 460308768 /nfs/dbraw/zinc/30/87/68/460308768.db2.gz QTJLBJAQPMTLGB-QGZVFWFLSA-N 1 0 340.379 3.399 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3coc4ccccc34)CC2)cn1 ZINC000611254491 460318498 /nfs/dbraw/zinc/31/84/98/460318498.db2.gz NPVLOXPWJYWGRS-UHFFFAOYSA-N 1 0 338.367 3.058 20 5 EGBDRO C[N@H+](CC1CC1)C[C@H]1CCN(c2ccc([N+](=O)[O-])c3cccnc32)C1 ZINC000611297726 460331158 /nfs/dbraw/zinc/33/11/58/460331158.db2.gz ZXKJHUFDQLZAAL-OAHLLOKOSA-N 1 0 340.427 3.311 20 5 EGBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](C)C2(CCC2)C1 ZINC000611303389 460333866 /nfs/dbraw/zinc/33/38/66/460333866.db2.gz ADKTYEUWOGKXQU-KBPBESRZSA-N 1 0 331.416 3.434 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CCN(C2CCCCC2)C1=O ZINC000611337123 460339700 /nfs/dbraw/zinc/33/97/00/460339700.db2.gz TVNMZYIJXNEXRX-KDOFPFPSSA-N 1 0 345.443 3.487 20 5 EGBDRO O=[N+]([O-])c1ccccc1N1CC[NH+](Cc2ccc3[nH]ccc3c2)CC1 ZINC000600105649 460383134 /nfs/dbraw/zinc/38/31/34/460383134.db2.gz CNKNYPLGJZRTJS-UHFFFAOYSA-N 1 0 336.395 3.398 20 5 EGBDRO O=[N+]([O-])c1ccc2oc(C[NH2+][C@H](CCO)C3CCCCC3)nc2c1 ZINC000612824269 460742360 /nfs/dbraw/zinc/74/23/60/460742360.db2.gz LWFYTMJXQUBSCM-CQSZACIVSA-N 1 0 333.388 3.157 20 5 EGBDRO C[C@H](NC(=O)c1c(F)cccc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000601422541 460808506 /nfs/dbraw/zinc/80/85/06/460808506.db2.gz RYHUZWWSKFSFCJ-QWHCGFSZSA-N 1 0 349.406 3.117 20 5 EGBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000613295529 460899446 /nfs/dbraw/zinc/89/94/46/460899446.db2.gz PBWSPMNVDIZCFC-CQSZACIVSA-N 1 0 334.420 3.208 20 5 EGBDRO Cc1cc(N2CCCC[C@@H]2CC[NH3+])nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000601980527 460968177 /nfs/dbraw/zinc/96/81/77/460968177.db2.gz MNWGNXDAEIHRQF-OAHLLOKOSA-N 1 0 341.415 3.068 20 5 EGBDRO C[C@@H](CNc1ncnc2cccc([N+](=O)[O-])c21)[N@@H+]1CCC[C@H](C)C1 ZINC000612438469 469466198 /nfs/dbraw/zinc/46/61/98/469466198.db2.gz YNEPSWSBNSJAAZ-STQMWFEESA-N 1 0 329.404 3.070 20 5 EGBDRO C[C@H](C[N@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1nccs1 ZINC000183945934 534022330 /nfs/dbraw/zinc/02/23/30/534022330.db2.gz NVULNHDAEYEXRT-LLVKDONJSA-N 1 0 349.412 3.153 20 5 EGBDRO CC[C@@H]([NH2+][C@@H]1CCN(c2ccccn2)C1)c1cccc([N+](=O)[O-])c1 ZINC000181703685 529202993 /nfs/dbraw/zinc/20/29/93/529202993.db2.gz UBEQYVLYEXONLP-NVXWUHKLSA-N 1 0 326.400 3.309 20 5 EGBDRO CO[C@]1(C)C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1(C)C ZINC000237269003 547255840 /nfs/dbraw/zinc/25/58/40/547255840.db2.gz POWJQWSZFVUCQD-CZUORRHYSA-N 1 0 344.358 3.489 20 5 EGBDRO CCOc1ccc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)c(C)c1 ZINC000597117771 548109333 /nfs/dbraw/zinc/10/93/33/548109333.db2.gz SHFVPZYBQLXXCU-UHFFFAOYSA-N 1 0 340.383 3.468 20 5 EGBDRO CCOCCC[N@@H+]1CC[C@@H](NCc2ccc(C)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000734510142 575504539 /nfs/dbraw/zinc/50/45/39/575504539.db2.gz RIHCSKNHBIMFRP-FUHWJXTLSA-N 1 0 349.475 3.130 20 5 EGBDRO C[C@H]1CCCC[N@@H+]1CC(N)=NOCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000734834468 575563315 /nfs/dbraw/zinc/56/33/15/575563315.db2.gz QWSIIUKVMDIGLU-NSHDSACASA-N 1 0 340.811 3.121 20 5 EGBDRO CC(C)C[N@@H+]1CCO[C@@H](CNc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000216733402 576111323 /nfs/dbraw/zinc/11/13/23/576111323.db2.gz LEBZJUWCLIJFNQ-ZDUSSCGKSA-N 1 0 327.812 3.017 20 5 EGBDRO CCO[C@@H]1C[C@H]([N@H+](C)Cn2ncc3ccc([N+](=O)[O-])cc32)C1(C)C ZINC000740862020 576630768 /nfs/dbraw/zinc/63/07/68/576630768.db2.gz UYMHOLXRGSFASM-JKSUJKDBSA-N 1 0 332.404 3.037 20 5 EGBDRO CN(C[C@@H]1CCC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1Br ZINC000742407799 576780695 /nfs/dbraw/zinc/78/06/95/576780695.db2.gz MNHOCUCGIYOKIN-LLVKDONJSA-N 1 0 342.237 3.135 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@@H](OC(=O)N(C)C)C1 ZINC000830584702 1292737496 /nfs/dbraw/zinc/73/74/96/1292737496.db2.gz YQVYNLDDHGOZPF-DZGCQCFKSA-N 1 0 335.404 3.127 20 5 EGBDRO O=C1NC[C@H]2C[N@H+](Cc3c4ccccc4cc4ccccc43)CCN12 ZINC000091864778 1292844211 /nfs/dbraw/zinc/84/42/11/1292844211.db2.gz ZXSNVYZMQKCNDZ-KRWDZBQOSA-N 1 0 331.419 3.202 20 5 EGBDRO C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000120075440 1293302907 /nfs/dbraw/zinc/30/29/07/1293302907.db2.gz HWUPKBMFDMTEBX-ZDUSSCGKSA-N 1 0 328.368 3.434 20 5 EGBDRO CC(C)(C)OC1CCN(Cn2ncc3cc([N+](=O)[O-])ccc32)CC1 ZINC000120590964 1293328933 /nfs/dbraw/zinc/32/89/33/1293328933.db2.gz IDSNYGLNHNKPAK-UHFFFAOYSA-N 1 0 332.404 3.182 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@H]3Cc4ccccc43)CC2)cc1 ZINC000121688660 1293384301 /nfs/dbraw/zinc/38/43/01/1293384301.db2.gz UXBGFKDNMPYCNV-MRXNPFEDSA-N 1 0 337.423 3.493 20 5 EGBDRO CCOC(=O)N[C@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)CC(C)C ZINC000125527603 1293509989 /nfs/dbraw/zinc/50/99/89/1293509989.db2.gz VHHUKLURHWQYFE-ZFWWWQNUSA-N 1 0 337.420 3.406 20 5 EGBDRO O=C1N(C[N@@H+]2CCC[C@H]2C2CCC2)CCN1c1ccccc1[N+](=O)[O-] ZINC000154738032 1294068047 /nfs/dbraw/zinc/06/80/47/1294068047.db2.gz MRHNTTKVNXWMKZ-HNNXBMFYSA-N 1 0 344.415 3.059 20 5 EGBDRO CC(C)(C)OC(=O)NCC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000178001546 1294711421 /nfs/dbraw/zinc/71/14/21/1294711421.db2.gz SUJXGLKHOZVWKS-UHFFFAOYSA-N 1 0 335.404 3.084 20 5 EGBDRO COCc1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000179534634 1294801151 /nfs/dbraw/zinc/80/11/51/1294801151.db2.gz YBUVPAQRNALSBB-UHFFFAOYSA-N 1 0 341.411 3.063 20 5 EGBDRO CC[C@@H]([NH2+]C[C@]1(O)CCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000181672575 1294983790 /nfs/dbraw/zinc/98/37/90/1294983790.db2.gz QUBMEROJUUAKFQ-RTBURBONSA-N 1 0 326.396 3.470 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2occc2Br)cc1 ZINC000227370212 1296143540 /nfs/dbraw/zinc/14/35/40/1296143540.db2.gz KRFKFGLENFUHPT-UHFFFAOYSA-N 1 0 325.162 3.283 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCO[C@H]1CCOC1 ZINC000872043590 1296692681 /nfs/dbraw/zinc/69/26/81/1296692681.db2.gz ZMHIRPDDMKXGJA-JSGCOSHPSA-N 1 0 340.445 3.163 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCN(CC(F)F)C1 ZINC000872079565 1296722632 /nfs/dbraw/zinc/72/26/32/1296722632.db2.gz IZOLUWZYHHVPFP-QWRGUYRKSA-N 1 0 345.415 3.307 20 5 EGBDRO CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1Br)CC(C)(C)O ZINC000691053246 1298132511 /nfs/dbraw/zinc/13/25/11/1298132511.db2.gz TWBUTEREQJFXHJ-UHFFFAOYSA-N 1 0 345.237 3.340 20 5 EGBDRO [NH3+][C@@H]1CCCCCN(Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000709016634 1298247832 /nfs/dbraw/zinc/24/78/32/1298247832.db2.gz KSVNWBZDDOKNEW-GFCCVEGCSA-N 1 0 342.237 3.061 20 5 EGBDRO CCCC(=O)NC[C@H]1CCC[N@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000876655475 1298900598 /nfs/dbraw/zinc/90/05/98/1298900598.db2.gz LECWCGRFPBDMIO-MRXNPFEDSA-N 1 0 347.459 3.340 20 5 EGBDRO CC(C)(C)SCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000877017122 1299114473 /nfs/dbraw/zinc/11/44/73/1299114473.db2.gz KOMAFHFEDUTCKQ-UHFFFAOYSA-N 1 0 338.477 3.080 20 5 EGBDRO CC(C)Oc1cccc([C@@H](O)C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000877037225 1299125584 /nfs/dbraw/zinc/12/55/84/1299125584.db2.gz YAZUIEPISCMDDW-IBGZPJMESA-N 1 0 344.411 3.248 20 5 EGBDRO Cc1ccc(SCC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000749637548 1299250489 /nfs/dbraw/zinc/25/04/89/1299250489.db2.gz AZXPCMPYABKJSN-KRWDZBQOSA-N 1 0 332.425 3.319 20 5 EGBDRO O=C1[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCN1c1cccc(Cl)c1 ZINC000749882070 1299291195 /nfs/dbraw/zinc/29/11/95/1299291195.db2.gz DICBKLFKYRAPGJ-MRXNPFEDSA-N 1 0 345.786 3.143 20 5 EGBDRO Cc1nn(C[N@H+]2CCC[C@H](C(C)C)CC2)c2ncc([N+](=O)[O-])cc12 ZINC000749954977 1299312938 /nfs/dbraw/zinc/31/29/38/1299312938.db2.gz QLXYFQFQKASDSC-AWEZNQCLSA-N 1 0 331.420 3.364 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCC[C@@H](c2nccn2C)C1 ZINC000877481223 1299331974 /nfs/dbraw/zinc/33/19/74/1299331974.db2.gz ZBQYSODGADPNCB-OAHLLOKOSA-N 1 0 328.416 3.325 20 5 EGBDRO CCOC(=O)C1CCC([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000877717867 1299503792 /nfs/dbraw/zinc/50/37/92/1299503792.db2.gz RYBQTSJRCDLHQO-UHFFFAOYSA-N 1 0 340.807 3.460 20 5 EGBDRO CO[C@H]1C[C@@H]([NH2+]Cc2c(Br)cccc2[N+](=O)[O-])C1(C)C ZINC000753374304 1299923622 /nfs/dbraw/zinc/92/36/22/1299923622.db2.gz SXCPILGSXULALO-OLZOCXBDSA-N 1 0 343.221 3.260 20 5 EGBDRO CC(C)COC[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000754304443 1300119784 /nfs/dbraw/zinc/11/97/84/1300119784.db2.gz ZHTNFEHZAMPRIK-DLBZAZTESA-N 1 0 348.399 3.225 20 5 EGBDRO CSC[C@@H]1CCC[N@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000878647443 1300124625 /nfs/dbraw/zinc/12/46/25/1300124625.db2.gz NHGZRXNRULHEJF-GFCCVEGCSA-N 1 0 348.428 3.220 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)s1 ZINC000754674999 1300188933 /nfs/dbraw/zinc/18/89/33/1300188933.db2.gz ODXWJDWKJXVNEI-GFCCVEGCSA-N 1 0 345.424 3.205 20 5 EGBDRO CC1(C)CCC[C@@H]1[NH2+]CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000755056686 1300273767 /nfs/dbraw/zinc/27/37/67/1300273767.db2.gz IDSZYEWTYRUWEX-ZDUSSCGKSA-N 1 0 325.796 3.355 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3C[C@@H]4CC=CC[C@@H]4C3)o2)cc1 ZINC000879527971 1300582284 /nfs/dbraw/zinc/58/22/84/1300582284.db2.gz GXFASYDJNVJENI-OKILXGFUSA-N 1 0 326.356 3.043 20 5 EGBDRO C[NH+](C)C[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000756951058 1300595195 /nfs/dbraw/zinc/59/51/95/1300595195.db2.gz WKIAKXZDMWLFFC-NSHDSACASA-N 1 0 331.338 3.392 20 5 EGBDRO CC(C)C[C@H]1CCCC[N@@H+]1Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000757614050 1300694085 /nfs/dbraw/zinc/69/40/85/1300694085.db2.gz OZVRTEGEFYGZOU-CYBMUJFWSA-N 1 0 333.388 3.361 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H](O)c2ccc(Cl)c(F)c2)cc1 ZINC000759044736 1301003436 /nfs/dbraw/zinc/00/34/36/1301003436.db2.gz QIVVSRYAKICOQX-MRXNPFEDSA-N 1 0 338.766 3.253 20 5 EGBDRO C[NH+](C)[C@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000760078069 1301217163 /nfs/dbraw/zinc/21/71/63/1301217163.db2.gz GQELSOPSQBTNCZ-LBPRGKRZSA-N 1 0 340.811 3.196 20 5 EGBDRO COC(=O)CC[N@@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)CC(C)C ZINC000761507801 1301487791 /nfs/dbraw/zinc/48/77/91/1301487791.db2.gz XSZHSLZHIRYKKC-UHFFFAOYSA-N 1 0 328.796 3.269 20 5 EGBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2ccnc(F)c2[N+](=O)[O-])C1 ZINC000881837046 1301736910 /nfs/dbraw/zinc/73/69/10/1301736910.db2.gz NGXPIPWTYWBPOQ-OCCSQVGLSA-N 1 0 330.363 3.376 20 5 EGBDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccnc(F)c1[N+](=O)[O-] ZINC000882036470 1301798493 /nfs/dbraw/zinc/79/84/93/1301798493.db2.gz BXMCDRHRFACLQB-HNNXBMFYSA-N 1 0 344.390 3.087 20 5 EGBDRO C[C@H](Cc1ccco1)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000764771161 1302130322 /nfs/dbraw/zinc/13/03/22/1302130322.db2.gz UQYWZQUYZSXEED-CQSZACIVSA-N 1 0 329.400 3.377 20 5 EGBDRO Cc1c([C@@H](C)[NH2+]C[C@H](O)COc2cccc(F)c2)cccc1[N+](=O)[O-] ZINC000765286074 1302237855 /nfs/dbraw/zinc/23/78/55/1302237855.db2.gz DVJPPXATBIWKCC-HIFRSBDPSA-N 1 0 348.374 3.133 20 5 EGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)Cc1cnccn1 ZINC000768100795 1302824675 /nfs/dbraw/zinc/82/46/75/1302824675.db2.gz YFBAWQBRMMZICF-KBPBESRZSA-N 1 0 346.456 3.476 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(N2CCC(c3[nH]c(C)c(C)[nH+]3)CC2)c1 ZINC000884707076 1302960123 /nfs/dbraw/zinc/96/01/23/1302960123.db2.gz XGRDZBVNKLEMIT-UHFFFAOYSA-N 1 0 330.388 3.327 20 5 EGBDRO C[N@H+](CCOC(=O)c1ccccc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000769049465 1303036460 /nfs/dbraw/zinc/03/64/60/1303036460.db2.gz NVTMIKIJBRCGKS-UHFFFAOYSA-N 1 0 332.331 3.023 20 5 EGBDRO C[C@@H](NC(=O)c1cc(F)ccc1[N+](=O)[O-])[C@H](c1ccccc1)[NH+](C)C ZINC000770042910 1303211766 /nfs/dbraw/zinc/21/17/66/1303211766.db2.gz BVRBZPQPSGRDGA-SJKOYZFVSA-N 1 0 345.374 3.155 20 5 EGBDRO CC(C)[C@H]1C[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCO1 ZINC000772472754 1303537360 /nfs/dbraw/zinc/53/73/60/1303537360.db2.gz LZFLIIKIQOIMQG-QFBILLFUSA-N 1 0 347.459 3.357 20 5 EGBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000888280039 1304096960 /nfs/dbraw/zinc/09/69/60/1304096960.db2.gz YTGPOIXIZYWDCE-NSHDSACASA-N 1 0 340.811 3.115 20 5 EGBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000888286450 1304101754 /nfs/dbraw/zinc/10/17/54/1304101754.db2.gz KSYGXSXLVYNHFG-QWRGUYRKSA-N 1 0 340.811 3.161 20 5 EGBDRO CC[N@@H+](Cc1ccc(OC)cc1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776277431 1304126666 /nfs/dbraw/zinc/12/66/66/1304126666.db2.gz PHHOKRPUEGSDIN-GOSISDBHSA-N 1 0 330.384 3.159 20 5 EGBDRO C[C@@H]1c2c(F)cccc2CC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776584972 1304175498 /nfs/dbraw/zinc/17/54/98/1304175498.db2.gz QBRWYAATZUXYCY-SJKOYZFVSA-N 1 0 330.359 3.387 20 5 EGBDRO Cc1nc2c(s1)[C@@H]([N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CCC2 ZINC000776592381 1304177688 /nfs/dbraw/zinc/17/76/88/1304177688.db2.gz NDJVKMPJDYDQLO-JKSUJKDBSA-N 1 0 347.440 3.403 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(C(=O)NCC(C)C)CC1 ZINC000778931825 1304509657 /nfs/dbraw/zinc/50/96/57/1304509657.db2.gz FHZQTLAKOXARQI-OAHLLOKOSA-N 1 0 347.459 3.448 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@@H](N2CCCCC2=O)C1 ZINC000778943396 1304511202 /nfs/dbraw/zinc/51/12/02/1304511202.db2.gz CYHYIGLNHVZQSC-NVXWUHKLSA-N 1 0 345.443 3.441 20 5 EGBDRO C[C@@H]1CCC[N@@H+]1CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000783923341 1305163694 /nfs/dbraw/zinc/16/36/94/1305163694.db2.gz YVHZWFGYQLCAKN-LLVKDONJSA-N 1 0 333.413 3.024 20 5 EGBDRO CC(=O)NC1CCC([N@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000784541659 1305255952 /nfs/dbraw/zinc/25/59/52/1305255952.db2.gz XDXMXHPRPACYCV-UHFFFAOYSA-N 1 0 339.823 3.127 20 5 EGBDRO COc1c(O)ccc(C[NH2+][C@@H](C)CCc2ccccc2)c1[N+](=O)[O-] ZINC000892446854 1305377425 /nfs/dbraw/zinc/37/74/25/1305377425.db2.gz MCRKVUWDJMSZGL-ZDUSSCGKSA-N 1 0 330.384 3.420 20 5 EGBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1ccc2c[nH+]cn2c1 ZINC000785749478 1305424014 /nfs/dbraw/zinc/42/40/14/1305424014.db2.gz MFZQPJAFVHEJAZ-UHFFFAOYSA-N 1 0 344.758 3.168 20 5 EGBDRO COc1c(O)ccc(C[NH2+][C@@H](C)Cc2ccccc2F)c1[N+](=O)[O-] ZINC000892657532 1305490245 /nfs/dbraw/zinc/49/02/45/1305490245.db2.gz ADXQAMLWMMGTQU-NSHDSACASA-N 1 0 334.347 3.169 20 5 EGBDRO O=C(C1CC[NH+](C2CC2)CC1)N1CCCCc2cc([N+](=O)[O-])ccc21 ZINC000892853415 1305579364 /nfs/dbraw/zinc/57/93/64/1305579364.db2.gz KINBHMQRPHNKEU-UHFFFAOYSA-N 1 0 343.427 3.139 20 5 EGBDRO CC(=O)c1cc([N+](=O)[O-])ccc1NCCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000786800211 1305632489 /nfs/dbraw/zinc/63/24/89/1305632489.db2.gz KVHCUKQTFAFURG-KBPBESRZSA-N 1 0 349.431 3.099 20 5 EGBDRO C[NH+](C)CCCC1CCN(c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000893063525 1305685829 /nfs/dbraw/zinc/68/58/29/1305685829.db2.gz ZLVYCYJNCSMSNY-UHFFFAOYSA-N 1 0 336.392 3.061 20 5 EGBDRO Cn1cc(C[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)c(C2CC2)n1 ZINC000893093058 1305701645 /nfs/dbraw/zinc/70/16/45/1305701645.db2.gz UALIZBQGZKTXAJ-UHFFFAOYSA-N 1 0 328.416 3.318 20 5 EGBDRO COc1c(O)ccc(C[NH2+]C[C@@H](SC)C(C)(C)C)c1[N+](=O)[O-] ZINC000893521546 1305947764 /nfs/dbraw/zinc/94/77/64/1305947764.db2.gz YWFVOSSTNKKLQG-GFCCVEGCSA-N 1 0 328.434 3.176 20 5 EGBDRO C[C@@H]([NH2+]C[C@@H](c1ccc(F)cc1)N(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788559443 1305970893 /nfs/dbraw/zinc/97/08/93/1305970893.db2.gz XYUMKYRQBLSVGI-XIKOKIGWSA-N 1 0 346.406 3.270 20 5 EGBDRO CC(C)(C)OC(=O)NCC[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000788577093 1305974117 /nfs/dbraw/zinc/97/41/17/1305974117.db2.gz LTCHMGQGNQFNNB-HNNXBMFYSA-N 1 0 349.431 3.432 20 5 EGBDRO Cc1ccc(N2CC[C@@H]([NH2+]Cc3cccc([N+](=O)[O-])c3C)C2=O)cc1 ZINC000790540981 1306348866 /nfs/dbraw/zinc/34/88/66/1306348866.db2.gz AAVXOZQXJGMGDT-QGZVFWFLSA-N 1 0 339.395 3.107 20 5 EGBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000790605369 1306360620 /nfs/dbraw/zinc/36/06/20/1306360620.db2.gz RRTJHXVWCCUCMR-AWEZNQCLSA-N 1 0 336.461 3.002 20 5 EGBDRO C[S@](=O)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000895327070 1309284433 /nfs/dbraw/zinc/28/44/33/1309284433.db2.gz BPNGYDAIIOYQBG-ZNLKAECVSA-N 1 0 330.837 3.028 20 5 EGBDRO C[C@H](CCNC(=O)OC(C)(C)C)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000793601733 1309414626 /nfs/dbraw/zinc/41/46/26/1309414626.db2.gz RLIBPJBRYWOLFV-LLVKDONJSA-N 1 0 341.383 3.127 20 5 EGBDRO CC(C)C[N@H+](Cn1c(=O)oc2cccc([N+](=O)[O-])c21)C1CCCC1 ZINC000794622497 1309558413 /nfs/dbraw/zinc/55/84/13/1309558413.db2.gz BIUCJBGCZRWKJL-UHFFFAOYSA-N 1 0 333.388 3.361 20 5 EGBDRO CCC(=O)c1ccc(N(C)CC[C@@H]2CCCC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC000795099911 1309668004 /nfs/dbraw/zinc/66/80/04/1309668004.db2.gz DDKATXXSATXDKX-HNNXBMFYSA-N 1 0 333.432 3.498 20 5 EGBDRO COc1cc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc(OC)c1O ZINC000896512673 1309893251 /nfs/dbraw/zinc/89/32/51/1309893251.db2.gz SMQZAVUWZDVLBC-LLVKDONJSA-N 1 0 332.356 3.168 20 5 EGBDRO COC(=O)N1CCC(C[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000796500423 1310015744 /nfs/dbraw/zinc/01/57/44/1310015744.db2.gz MSZHXTQVKHENRE-UHFFFAOYSA-N 1 0 349.431 3.286 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCC2(CC1)C[C@@H](O)CCO2 ZINC000897260087 1310251249 /nfs/dbraw/zinc/25/12/49/1310251249.db2.gz XVXMHUUTVGBHSA-RXBGNRNISA-N 1 0 346.427 3.004 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccc(CCO)cc1 ZINC000898170935 1310612988 /nfs/dbraw/zinc/61/29/88/1310612988.db2.gz OGDUCENSSYSHKA-PTNGSMBKSA-N 1 0 326.396 3.323 20 5 EGBDRO O=C(OCCC[NH+]1CCCCC1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000800122654 1310676500 /nfs/dbraw/zinc/67/65/00/1310676500.db2.gz NINBYQLYRJNBJD-UHFFFAOYSA-N 1 0 331.372 3.109 20 5 EGBDRO CC[NH+](CC)CCCOC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000800200978 1310700874 /nfs/dbraw/zinc/70/08/74/1310700874.db2.gz SLMDWVJOCUAPSL-GFCCVEGCSA-N 1 0 326.368 3.113 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH+]2C[C@@H]3CN(c4ccccc4)C[C@H]3C2)cc1F ZINC000801512622 1310950752 /nfs/dbraw/zinc/95/07/52/1310950752.db2.gz KVLVQJHDPWLMHB-HZPDHXFCSA-N 1 0 341.386 3.302 20 5 EGBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)CCc1cccc([N+](=O)[O-])c1 ZINC000801601388 1310973365 /nfs/dbraw/zinc/97/33/65/1310973365.db2.gz FUJRECLONZCVIW-UHFFFAOYSA-N 1 0 345.355 3.056 20 5 EGBDRO CC[C@@H](C)[NH+]1CCN(C(=O)c2cc(Cl)c(C)cc2[N+](=O)[O-])CC1 ZINC000837004764 1320564627 /nfs/dbraw/zinc/56/46/27/1320564627.db2.gz BCFCXNCCLOQRDC-GFCCVEGCSA-N 1 0 339.823 3.113 20 5 EGBDRO CC[C@H](C)[NH2+][C@H](CNc1nc2ccccn2c1[N+](=O)[O-])c1ccco1 ZINC000804780454 1317280807 /nfs/dbraw/zinc/28/08/07/1317280807.db2.gz BVYMBAKYMALZOY-QWHCGFSZSA-N 1 0 343.387 3.377 20 5 EGBDRO CN(c1nc2ccc([N+](=O)[O-])cc2s1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000804815024 1317287145 /nfs/dbraw/zinc/28/71/45/1317287145.db2.gz MMCUEOHQJRKJSZ-QYJAPNMZSA-N 1 0 332.429 3.266 20 5 EGBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H]2CCc3nc(Cl)ccc32)cc1 ZINC000806145798 1317465195 /nfs/dbraw/zinc/46/51/95/1317465195.db2.gz OJINYRIWSGBBAN-CQSZACIVSA-N 1 0 333.775 3.299 20 5 EGBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)C1=CCCCCC1 ZINC001020102041 1317544211 /nfs/dbraw/zinc/54/42/11/1317544211.db2.gz BRYWOHCEMIPUQK-QAQDUYKDSA-N 1 0 343.427 3.222 20 5 EGBDRO CC(=O)c1ccc([N+](=O)[O-])cc1NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000807916723 1317601172 /nfs/dbraw/zinc/60/11/72/1317601172.db2.gz BAYMBRMTUWQEHF-QGZVFWFLSA-N 1 0 341.411 3.382 20 5 EGBDRO CCOc1ccc([C@H](C)NCc2cc(N(C)C)cc[nH+]2)cc1[N+](=O)[O-] ZINC000903201832 1317673065 /nfs/dbraw/zinc/67/30/65/1317673065.db2.gz OPQFLXJVGLZFEU-ZDUSSCGKSA-N 1 0 344.415 3.305 20 5 EGBDRO CCOc1ccc([C@H](C)[NH2+]Cc2ccc(CCO)cc2)cc1[N+](=O)[O-] ZINC000903402941 1317697154 /nfs/dbraw/zinc/69/71/54/1317697154.db2.gz JCHRSBYZDLFUSJ-AWEZNQCLSA-N 1 0 344.411 3.379 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]CC[C@H](O)C2CC2)c2ccccc2)c1 ZINC000903407039 1317697515 /nfs/dbraw/zinc/69/75/15/1317697515.db2.gz MAHQZMHWKHDRAK-RBUKOAKNSA-N 1 0 326.396 3.435 20 5 EGBDRO CC1(C)C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)Cc2ccccc2O1 ZINC000808791039 1317734449 /nfs/dbraw/zinc/73/44/49/1317734449.db2.gz FTJDKYZCXLCGJM-QGZVFWFLSA-N 1 0 342.395 3.301 20 5 EGBDRO CC1(C(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)CCCCC1 ZINC001020542513 1317756122 /nfs/dbraw/zinc/75/61/22/1317756122.db2.gz DVCHNHNCISOYIM-WKILWMFISA-N 1 0 345.443 3.302 20 5 EGBDRO COc1ccc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)c(Cl)c1 ZINC000809735938 1317884770 /nfs/dbraw/zinc/88/47/70/1317884770.db2.gz ANFPVJAKOYGDDK-UHFFFAOYSA-N 1 0 335.791 3.222 20 5 EGBDRO C[S@](=O)c1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)cc1 ZINC000809793684 1317903391 /nfs/dbraw/zinc/90/33/91/1317903391.db2.gz KONPYZYVTMDJHH-QFIPXVFZSA-N 1 0 338.816 3.275 20 5 EGBDRO O=[N+]([O-])CC[NH2+][C@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000905260401 1317942660 /nfs/dbraw/zinc/94/26/60/1317942660.db2.gz MGQNMWIFWBXOFN-ZDUSSCGKSA-N 1 0 338.205 3.174 20 5 EGBDRO C[N@H+](Cc1cn(Cc2ccc(Cl)c([N+](=O)[O-])c2)nn1)C(C)(C)C ZINC000905792921 1317999087 /nfs/dbraw/zinc/99/90/87/1317999087.db2.gz KLUTWEDURNNQDT-UHFFFAOYSA-N 1 0 337.811 3.118 20 5 EGBDRO C[C@@H]([NH2+][C@@H](C)C(=O)N1[C@H](C)CCC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000905852306 1318006858 /nfs/dbraw/zinc/00/68/58/1318006858.db2.gz HSADZQDVFGWKFV-BARDWOONSA-N 1 0 333.432 3.423 20 5 EGBDRO Cc1nc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)sc1C ZINC000905853569 1318008457 /nfs/dbraw/zinc/00/84/57/1318008457.db2.gz SWDRODMYMLAYTC-GHMZBOCLSA-N 1 0 348.428 3.346 20 5 EGBDRO [NH3+]C1CC(NCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000906510056 1318111245 /nfs/dbraw/zinc/11/12/45/1318111245.db2.gz LYJNTAHFEGVZGP-UHFFFAOYSA-N 1 0 331.347 3.106 20 5 EGBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]CCCn1ccnc1 ZINC000811471976 1318180280 /nfs/dbraw/zinc/18/02/80/1318180280.db2.gz QADLRYYYDVYLHU-UHFFFAOYSA-N 1 0 329.187 3.278 20 5 EGBDRO CN(CCCC[NH+](C)C)C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000813459028 1318569144 /nfs/dbraw/zinc/56/91/44/1318569144.db2.gz LOZMMMAAGIXPSJ-UHFFFAOYSA-N 1 0 348.230 3.315 20 5 EGBDRO C[NH2+]Cc1ccccc1NC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000911681875 1318759028 /nfs/dbraw/zinc/75/90/28/1318759028.db2.gz DLHDBRAZCLYGAU-HOTGVXAUSA-N 1 0 325.368 3.056 20 5 EGBDRO CC(C)[C@H](C(=O)OCc1cc([N+](=O)[O-])ccc1C(F)(F)F)[NH+](C)C ZINC000815238924 1318938451 /nfs/dbraw/zinc/93/84/51/1318938451.db2.gz GQCSULNTHWGZEL-CYBMUJFWSA-N 1 0 348.321 3.243 20 5 EGBDRO CC(C)[C@H]([NH2+]CCCOc1ccc([N+](=O)[O-])cc1)C1(CO)CCC1 ZINC000815254287 1318943613 /nfs/dbraw/zinc/94/36/13/1318943613.db2.gz JVXCXYLAHNLDJM-KRWDZBQOSA-N 1 0 336.432 3.141 20 5 EGBDRO O=C(OCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000815446160 1318988016 /nfs/dbraw/zinc/98/80/16/1318988016.db2.gz QDTZEUQSINQHIW-KRWDZBQOSA-N 1 0 332.400 3.435 20 5 EGBDRO C[C@H](C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)Oc1cccc(F)c1 ZINC000815583925 1319021318 /nfs/dbraw/zinc/02/13/18/1319021318.db2.gz RHVGTGQRWGIGQH-NEPJUHHUSA-N 1 0 333.363 3.434 20 5 EGBDRO C[C@H]([NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815599147 1319024281 /nfs/dbraw/zinc/02/42/81/1319024281.db2.gz MAZVVTCRAYWLNP-VFGSGVCASA-N 1 0 339.486 3.207 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000817600491 1319410864 /nfs/dbraw/zinc/41/08/64/1319410864.db2.gz OJIRKODEGRWBFG-UHFFFAOYSA-N 1 0 345.443 3.160 20 5 EGBDRO C[C@@H]1CC[N@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=O)[C@H]2CCCC[C@H]12 ZINC000915209614 1319442472 /nfs/dbraw/zinc/44/24/72/1319442472.db2.gz LRFIWHBUDLDVTI-YUELXQCFSA-N 1 0 345.399 3.361 20 5 EGBDRO C[N@H+](CCCOc1ccccc1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000915208990 1319442780 /nfs/dbraw/zinc/44/27/80/1319442780.db2.gz UEFCQJMRCCMTAI-UHFFFAOYSA-N 1 0 340.383 3.303 20 5 EGBDRO CCCC[NH+]1CCC(NC(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000915716797 1319528289 /nfs/dbraw/zinc/52/82/89/1319528289.db2.gz IIXXXHXMPYNWFN-CQSZACIVSA-N 1 0 348.447 3.220 20 5 EGBDRO CC(C)(C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1cccc(F)c1 ZINC000819082606 1319631120 /nfs/dbraw/zinc/63/11/20/1319631120.db2.gz YSQMVEZKZBTXJJ-QGZVFWFLSA-N 1 0 332.375 3.335 20 5 EGBDRO COc1ccc(C[C@@H](C)C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000819192346 1319662607 /nfs/dbraw/zinc/66/26/07/1319662607.db2.gz XNKJTFWTXLCSBD-KUHUBIRLSA-N 1 0 344.411 3.105 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@H]2C[C@H](c3ccccc3F)C2)cc1 ZINC000819282727 1319688442 /nfs/dbraw/zinc/68/84/42/1319688442.db2.gz MCQGRCVARZPFSQ-DEYYWGMASA-N 1 0 330.359 3.303 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H]2C[C@H](c3ccccc3F)C2)cc1 ZINC000819282730 1319688448 /nfs/dbraw/zinc/68/84/48/1319688448.db2.gz MCQGRCVARZPFSQ-HBUWYVDXSA-N 1 0 330.359 3.303 20 5 EGBDRO CCOc1ccc([C@@H]2C[C@H]2[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000819282205 1319688501 /nfs/dbraw/zinc/68/85/01/1319688501.db2.gz XQXBOWSFXNQUSD-OTWHNJEPSA-N 1 0 342.395 3.173 20 5 EGBDRO COc1cc(C[NH2+][C@H]2C=CCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000826942193 1320415783 /nfs/dbraw/zinc/41/57/83/1320415783.db2.gz NSMZWLABWMDKAZ-NSHDSACASA-N 1 0 328.315 3.056 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)cc1Cl ZINC000837190494 1320584038 /nfs/dbraw/zinc/58/40/38/1320584038.db2.gz LIAPITBZKQLRAE-GFCCVEGCSA-N 1 0 339.823 3.111 20 5 EGBDRO CC[C@H](C)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)CC1 ZINC000839788002 1320976859 /nfs/dbraw/zinc/97/68/59/1320976859.db2.gz VDDABYZPWFARMK-LBPRGKRZSA-N 1 0 339.823 3.113 20 5 EGBDRO CC1(C)CCC(=O)N1C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000840127200 1321034184 /nfs/dbraw/zinc/03/41/84/1321034184.db2.gz XLGVUBBVDVDHMD-OAHLLOKOSA-N 1 0 331.416 3.133 20 5 EGBDRO Cc1nn(C[N@@H+]2CC[C@H](CC(C)(C)C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000840149752 1321039157 /nfs/dbraw/zinc/03/91/57/1321039157.db2.gz LWVZTMXNAKWGEP-CYBMUJFWSA-N 1 0 331.420 3.364 20 5 EGBDRO COc1cc(OCC[NH+](C)C)ccc1NCc1ccc([N+](=O)[O-])cc1 ZINC000840958902 1321186579 /nfs/dbraw/zinc/18/65/79/1321186579.db2.gz PKEWDWSRTBROCC-UHFFFAOYSA-N 1 0 345.399 3.156 20 5 EGBDRO Cc1nn(C[N@H+]2CC3(C[C@@H]2C)CCOCC3)c2cc([N+](=O)[O-])ccc12 ZINC000842638606 1321410978 /nfs/dbraw/zinc/41/09/78/1321410978.db2.gz MSFYEAIVKAXOOY-ZDUSSCGKSA-N 1 0 344.415 3.101 20 5 EGBDRO O=[N+]([O-])c1ccc2sc(-c3nc(C4CC[NH2+]CC4)no3)cc2c1 ZINC000843137229 1321475794 /nfs/dbraw/zinc/47/57/94/1321475794.db2.gz UMWSFHMCWFGJCU-UHFFFAOYSA-N 1 0 330.369 3.327 20 5 EGBDRO Cc1c(Cc2noc(C[C@@H](C)C3CC[NH2+]CC3)n2)cccc1[N+](=O)[O-] ZINC000843192769 1321484962 /nfs/dbraw/zinc/48/49/62/1321484962.db2.gz ZGOSVHIKSDTFTE-GFCCVEGCSA-N 1 0 344.415 3.055 20 5 EGBDRO CCCN(C(=O)c1cc([N+](=O)[O-])c(C)cc1Cl)[C@H]1CC[N@H+](C)C1 ZINC000844146431 1321574001 /nfs/dbraw/zinc/57/40/01/1321574001.db2.gz NAKGJBLYYYSYLX-LBPRGKRZSA-N 1 0 339.823 3.113 20 5 EGBDRO CCOc1ccc(C(=O)OC[C@@H]2CC[N@@H+]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000845740489 1321740178 /nfs/dbraw/zinc/74/01/78/1321740178.db2.gz POYSQRBRBUETGE-ZDUSSCGKSA-N 1 0 336.388 3.023 20 5 EGBDRO CN(CC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000848524874 1321968342 /nfs/dbraw/zinc/96/83/42/1321968342.db2.gz IUZAMJXPXIREAC-AWEZNQCLSA-N 1 0 335.404 3.039 20 5 EGBDRO CCc1ccc([C@H](O)C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000848548517 1321974016 /nfs/dbraw/zinc/97/40/16/1321974016.db2.gz HJMGVSHGUOHBOY-PKOBYXMFSA-N 1 0 326.396 3.468 20 5 EGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@@H](CCO)Cc1ccccc1 ZINC000848547927 1321974614 /nfs/dbraw/zinc/97/46/14/1321974614.db2.gz CXNDFJPOAPAICS-MAUKXSAKSA-N 1 0 326.396 3.165 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1CNC(=[NH2+])Nc1cc(F)ccc1F ZINC000849079805 1322069698 /nfs/dbraw/zinc/06/96/98/1322069698.db2.gz WGBOJNKNLGWINX-UHFFFAOYSA-N 1 0 336.298 3.018 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H](O)c1ccc(C)cc1 ZINC000850425481 1322246835 /nfs/dbraw/zinc/24/68/35/1322246835.db2.gz MLRRFRVYSUHMOR-SUMWQHHRSA-N 1 0 330.384 3.296 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccc2c(c1)C[C@@H](C)O2 ZINC000921687364 1322378723 /nfs/dbraw/zinc/37/87/23/1322378723.db2.gz CTZVFZHGGILEGY-GFCCVEGCSA-N 1 0 328.368 3.217 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@@](O)(c3ccccc3)C2)cc1 ZINC000859585972 1329025652 /nfs/dbraw/zinc/02/56/52/1329025652.db2.gz FDBJYTVLWLMWLY-IBGZPJMESA-N 1 0 326.396 3.121 20 5 EGBDRO C[C@](O)(C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1cccc(F)c1 ZINC000922566307 1322558581 /nfs/dbraw/zinc/55/85/81/1322558581.db2.gz LFGVJJJEAAKPND-INIZCTEOSA-N 1 0 338.766 3.385 20 5 EGBDRO CN1CC[C@@H]1C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000922575205 1322561172 /nfs/dbraw/zinc/56/11/72/1322561172.db2.gz DUNDAEAIPKIRDM-GFCCVEGCSA-N 1 0 335.791 3.302 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@@H]1CCCN1CC(F)(F)F ZINC000922708733 1322599334 /nfs/dbraw/zinc/59/93/34/1322599334.db2.gz MBFJDQRDQHISLY-ZRFDWSJLSA-N 1 0 343.349 3.224 20 5 EGBDRO C[N@@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)CC1=CCCOC1 ZINC000852518504 1323205222 /nfs/dbraw/zinc/20/52/22/1323205222.db2.gz HPQHYRGWDXXQAB-UHFFFAOYSA-N 1 0 341.205 3.136 20 5 EGBDRO CC(C)C[C@H](C[NH3+])CC(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000852787883 1323241400 /nfs/dbraw/zinc/24/14/00/1323241400.db2.gz XRWUNNIBVXBYEG-LBPRGKRZSA-N 1 0 341.839 3.218 20 5 EGBDRO O=[N+]([O-])c1cc(C(F)F)ccc1N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000853014636 1323261779 /nfs/dbraw/zinc/26/17/79/1323261779.db2.gz OGDFLCZCLNEOFN-CYBMUJFWSA-N 1 0 325.359 3.358 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000931494326 1329130170 /nfs/dbraw/zinc/13/01/70/1329130170.db2.gz ILIXCLNALHALAN-AWEZNQCLSA-N 1 0 348.447 3.353 20 5 EGBDRO C[C@@H](NC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C)c1ccc([N+](=O)[O-])cc1 ZINC000925233857 1325089169 /nfs/dbraw/zinc/08/91/69/1325089169.db2.gz IHPLUMLBJSKZOU-GDBMZVCRSA-N 1 0 348.447 3.172 20 5 EGBDRO Cc1cc(-c2noc(-c3cc4c(s3)CC[NH2+]C4)n2)cc([N+](=O)[O-])c1 ZINC000854159405 1325222802 /nfs/dbraw/zinc/22/28/02/1325222802.db2.gz AESQLRABJOPISG-UHFFFAOYSA-N 1 0 342.380 3.327 20 5 EGBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+][C@@H]2CCCc3cccnc32)n1 ZINC000927060377 1327834599 /nfs/dbraw/zinc/83/45/99/1327834599.db2.gz ATBOHLFPOKYOEB-OAGGEKHMSA-N 1 0 341.415 3.337 20 5 EGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1cc(C2CC2)nn1C ZINC000927098244 1327861598 /nfs/dbraw/zinc/86/15/98/1327861598.db2.gz GOUOBHPMPDBTTH-CYBMUJFWSA-N 1 0 328.416 3.317 20 5 EGBDRO CC(C)(C)[NH2+]CCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000932320121 1329804934 /nfs/dbraw/zinc/80/49/34/1329804934.db2.gz XMIPSRFCQBOMSL-UHFFFAOYSA-N 1 0 348.428 3.435 20 5 EGBDRO C[NH+](C)CC[C@H](NC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000932987723 1329853032 /nfs/dbraw/zinc/85/30/32/1329853032.db2.gz WYJJBHIXPQDPAG-ZACQAIPSSA-N 1 0 347.459 3.181 20 5 EGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC000866224318 1330080299 /nfs/dbraw/zinc/08/02/99/1330080299.db2.gz ZBZQYPDFMJEUGX-DIFFPNOSSA-N 1 0 336.338 3.127 20 5 EGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000866273336 1330088997 /nfs/dbraw/zinc/08/89/97/1330088997.db2.gz KDNUZQIQOWEWCR-HWHUXHBOSA-N 1 0 336.407 3.458 20 5 EGBDRO CCC(CC)(CCO)C[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866275899 1330089396 /nfs/dbraw/zinc/08/93/96/1330089396.db2.gz IRSLUEPVDXCNMW-CYBMUJFWSA-N 1 0 326.412 3.443 20 5 EGBDRO Cc1ccccc1[C@@H](CO)[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866278378 1330089495 /nfs/dbraw/zinc/08/94/95/1330089495.db2.gz YKCZPJITSXHXLQ-SUMWQHHRSA-N 1 0 332.375 3.297 20 5 EGBDRO Cc1cccc([C@@H](O)C[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])c1 ZINC000866307321 1330093866 /nfs/dbraw/zinc/09/38/66/1330093866.db2.gz YAFMLGQWFXJDIO-ACJLOTCBSA-N 1 0 332.375 3.297 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000935979014 1330101633 /nfs/dbraw/zinc/10/16/33/1330101633.db2.gz YFPDCHHRZZVWHZ-IUODEOHRSA-N 1 0 349.456 3.016 20 5 EGBDRO Cc1cc([C@@H](C)NC(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)c(C)s1 ZINC000867957432 1330233432 /nfs/dbraw/zinc/23/34/32/1330233432.db2.gz MMBCBCNIPLPWDD-DIFFPNOSSA-N 1 0 347.440 3.324 20 5 EGBDRO C[C@]([NH3+])(C(=O)N[C@H]1CCCc2sccc21)c1cccc([N+](=O)[O-])c1 ZINC000867977760 1330235563 /nfs/dbraw/zinc/23/55/63/1330235563.db2.gz PHZVAWVUXQLDGN-WMLDXEAASA-N 1 0 345.424 3.024 20 5 EGBDRO CN(C(=O)C(C)(C)C)C1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001006325874 1336489194 /nfs/dbraw/zinc/48/91/94/1336489194.db2.gz JHNISTHQEVYHFL-UHFFFAOYSA-N 1 0 333.432 3.064 20 5 EGBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)CC1CCN(C(=O)C2CCC2)CC1 ZINC001029923827 1341121142 /nfs/dbraw/zinc/12/11/42/1341121142.db2.gz YKGTYPLCGYGOFJ-UHFFFAOYSA-N 1 0 345.443 3.065 20 5 EGBDRO C[C@H]1C[NH2+]CCC[C@H]1Oc1ccc([N+](=O)[O-])cc1Br ZINC001217988523 1373528214 /nfs/dbraw/zinc/52/82/14/1373528214.db2.gz QLXCDDMENCVMJE-JOYOIKCWSA-N 1 0 329.194 3.124 20 5 EGBDRO CC1(C(=O)N[C@H]2CC[C@H](C[NH2+]Cc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC001050329600 1348228933 /nfs/dbraw/zinc/22/89/33/1348228933.db2.gz UDUACWSTADFQPA-KOMQPUFPSA-N 1 0 345.443 3.160 20 5 EGBDRO O=[N+]([O-])c1cn(C[N@@H+]2CC[C@H]3CCCC[C@@H]3C2)nc1-c1ccncc1 ZINC001323182544 1387308232 /nfs/dbraw/zinc/30/82/32/1387308232.db2.gz JKKBMHPRJFFKPS-GDBMZVCRSA-N 1 0 341.415 3.323 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+]([C@H]3CCc4c3cccc4F)C2)nc1 ZINC001324296299 1387585995 /nfs/dbraw/zinc/58/59/95/1387585995.db2.gz CRSYNPUORGCEQD-SJCJKPOMSA-N 1 0 342.374 3.303 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+]C(C)(C)C1CCCCC1 ZINC001324808659 1387780543 /nfs/dbraw/zinc/78/05/43/1387780543.db2.gz ZZRHETJXKHPNKT-UHFFFAOYSA-N 1 0 349.431 3.490 20 5 EGBDRO C[NH+](C)Cc1cccc(-n2c3ccccc3nc3cc(N)c(=O)cc2-3)c1 ZINC001201403501 1369537977 /nfs/dbraw/zinc/53/79/77/1369537977.db2.gz XBZRNVQEJSRCIG-UHFFFAOYSA-N 1 0 344.418 3.134 20 5 EGBDRO O=C(CCCC1CC1)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001202085333 1369684107 /nfs/dbraw/zinc/68/41/07/1369684107.db2.gz SSCDAQGQZAYPQM-UHFFFAOYSA-N 1 0 345.443 3.256 20 5 EGBDRO C/C=C(\C)C(=O)NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCCCC1 ZINC001115472882 1370478752 /nfs/dbraw/zinc/47/87/52/1370478752.db2.gz GGZOCHUEOKHIFM-CRKCGEKBSA-N 1 0 345.443 3.470 20 5 EGBDRO CC[C@H]([NH2+]Cc1c(Br)cccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC001119730974 1371395129 /nfs/dbraw/zinc/39/51/29/1371395129.db2.gz AWMUQTNGODSWPV-JSGCOSHPSA-N 1 0 343.221 3.405 20 5 EGBDRO COc1c(O)ccc(C[NH2+]C[C@@H]2CCc3ccccc32)c1[N+](=O)[O-] ZINC001120032948 1371463821 /nfs/dbraw/zinc/46/38/21/1371463821.db2.gz LBBFKZDDCKAVQX-ZDUSSCGKSA-N 1 0 328.368 3.129 20 5 EGBDRO COc1c(O)ccc(C[NH2+]C2(Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC001120039276 1371465620 /nfs/dbraw/zinc/46/56/20/1371465620.db2.gz CQQUWXKWAFXOTP-UHFFFAOYSA-N 1 0 328.368 3.174 20 5 EGBDRO C[NH+]1CCN(c2ccccc2Nc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC001210955050 1372460621 /nfs/dbraw/zinc/46/06/21/1372460621.db2.gz CYNNTHJXCMXDRA-UHFFFAOYSA-N 1 0 330.363 3.229 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1Nc1cccc(N2CC[NH+](C)CC2)c1 ZINC001211288901 1372521740 /nfs/dbraw/zinc/52/17/40/1372521740.db2.gz CIUQNHHDYULPRX-UHFFFAOYSA-N 1 0 326.400 3.399 20 5 EGBDRO Cc1ccc(Nc2cccc(N3CC[NH+](C)CC3)c2)c([N+](=O)[O-])c1 ZINC001214172048 1373019095 /nfs/dbraw/zinc/01/90/95/1373019095.db2.gz QEHCOBPOYQDHFT-UHFFFAOYSA-N 1 0 326.400 3.399 20 5 EGBDRO Cc1cc(Br)c(O[C@H]2C[NH2+]CCC[C@@H]2F)cc1[N+](=O)[O-] ZINC001217983750 1373525973 /nfs/dbraw/zinc/52/59/73/1373525973.db2.gz XTXVEZAWHHXHTD-GWCFXTLKSA-N 1 0 347.184 3.135 20 5 EGBDRO C[C@@H]1C[NH2+]CCC[C@H]1Oc1cc(Br)cc([N+](=O)[O-])c1 ZINC001217985714 1373526325 /nfs/dbraw/zinc/52/63/25/1373526325.db2.gz CLWVHIYYLFRYMM-NOZJJQNGSA-N 1 0 329.194 3.124 20 5 EGBDRO C[C@H]1C[NH2+]CCC[C@H]1Oc1cc(N2CCCCC2)ccc1[N+](=O)[O-] ZINC001217996075 1373530181 /nfs/dbraw/zinc/53/01/81/1373530181.db2.gz PMNQQQCHTUXODD-WMLDXEAASA-N 1 0 333.432 3.352 20 5 EGBDRO C[C@H]1CC[NH2+]CC[C@@H]1Oc1c(Br)cc(F)cc1[N+](=O)[O-] ZINC001218031910 1373543534 /nfs/dbraw/zinc/54/35/34/1373543534.db2.gz VAGXOXJBZUEKHV-UFBFGSQYSA-N 1 0 347.184 3.263 20 5 EGBDRO C[C@@H]1CC[NH2+]C[C@H]1Oc1c(Br)cc(Cl)cc1[N+](=O)[O-] ZINC001218046690 1373547663 /nfs/dbraw/zinc/54/76/63/1373547663.db2.gz YGZSCTYRGQJCPU-RDDDGLTNSA-N 1 0 349.612 3.388 20 5 EGBDRO Cc1cc(OC2CC3(C2)CC[NH2+]C3)c([N+](=O)[O-])cc1Br ZINC001218061278 1373550000 /nfs/dbraw/zinc/55/00/00/1373550000.db2.gz SUSKEWSDEOJXSI-UHFFFAOYSA-N 1 0 341.205 3.187 20 5 EGBDRO Oc1cccc2cc3cccc(O)c3c(O[C@@H]3CC[NH2+]C[C@@H]3F)c12 ZINC001218070118 1373554113 /nfs/dbraw/zinc/55/41/13/1373554113.db2.gz LOKYRDNWEVIQGF-XJKSGUPXSA-N 1 0 327.355 3.483 20 5 EGBDRO O=[N+]([O-])c1cc(O[C@H]2CCC23CC[NH2+]CC3)ccc1Br ZINC001218078823 1373555949 /nfs/dbraw/zinc/55/59/49/1373555949.db2.gz DBPRIFSVBGWNFT-ZDUSSCGKSA-N 1 0 341.205 3.268 20 5 EGBDRO O=[N+]([O-])c1cc2c(cc1Cl)ncnc2O[C@H]1CCC[C@]12CC[NH2+]C2 ZINC001218092244 1373558967 /nfs/dbraw/zinc/55/89/67/1373558967.db2.gz QNTGTRXFXQEYDW-GOEBONIOSA-N 1 0 348.790 3.102 20 5 EGBDRO O=[N+]([O-])c1cc(OC(F)(F)F)ccc1O[C@@H]1CCC[C@@]12CC[NH2+]C2 ZINC001218096889 1373560032 /nfs/dbraw/zinc/56/00/32/1373560032.db2.gz VFKKDHLQLVQQFT-KGLIPLIRSA-N 1 0 346.305 3.404 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCCCC2)cc1O[C@@H]1CC[C@]12CC[NH2+]C2 ZINC001218121641 1373565135 /nfs/dbraw/zinc/56/51/35/1373565135.db2.gz BQGMLXJTXBTHND-QZTJIDSGSA-N 1 0 331.416 3.106 20 5 EGBDRO CC(C)(C)c1cc([N+](=O)[O-])c(O[C@@H]2C[C@H]3CC[NH2+][C@@H]3C2)c([N+](=O)[O-])c1 ZINC001218251500 1373583930 /nfs/dbraw/zinc/58/39/30/1373583930.db2.gz UFEKTVDXABIQHB-RAIGVLPGSA-N 1 0 349.387 3.320 20 5 EGBDRO O=[N+]([O-])c1ccc(Br)c(O[C@@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC001218304982 1373591516 /nfs/dbraw/zinc/59/15/16/1373591516.db2.gz BFDSSIUQPYCFEA-LLVKDONJSA-N 1 0 341.205 3.411 20 5 EGBDRO CC1(C)C[NH2+]CC[C@@H]1Oc1cc([N+](=O)[O-])c(Br)cc1F ZINC001218316731 1373594634 /nfs/dbraw/zinc/59/46/34/1373594634.db2.gz XXCTUERHERHJTN-LBPRGKRZSA-N 1 0 347.184 3.263 20 5 EGBDRO CC1(C)C[NH2+][C@](C)(C(=O)Nc2cc3cccnc3c3ncccc23)C1 ZINC001218979473 1373673188 /nfs/dbraw/zinc/67/31/88/1373673188.db2.gz MVQRWFZDPGUDJZ-FQEVSTJZSA-N 1 0 334.423 3.500 20 5 EGBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ncc(C(F)(F)F)cc1[N+](=O)[O-])C2 ZINC001225843609 1375162746 /nfs/dbraw/zinc/16/27/46/1375162746.db2.gz JOTOUWABFPKWPW-URLYPYJESA-N 1 0 331.294 3.013 20 5 EGBDRO CC(C)[N@@H+]1CCC[C@H](Oc2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC001225893486 1375170379 /nfs/dbraw/zinc/17/03/79/1375170379.db2.gz SEVLNTNJGNRVJA-NSHDSACASA-N 1 0 333.310 3.260 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(OC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC001226447292 1375260144 /nfs/dbraw/zinc/26/01/44/1375260144.db2.gz QOLFSFKIWOVSPE-UHFFFAOYSA-N 1 0 329.356 3.046 20 5 EGBDRO O=[N+]([O-])c1ccc(O[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cn1 ZINC001226712639 1375315495 /nfs/dbraw/zinc/31/54/95/1375315495.db2.gz PMAOYXPMIZQSQF-RYQLBKOJSA-N 1 0 339.395 3.279 20 5 EGBDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1Oc1ncc([N+](=O)[O-])cn1 ZINC001226731848 1375319727 /nfs/dbraw/zinc/31/97/27/1375319727.db2.gz QMONRABKBHMOGJ-MRXNPFEDSA-N 1 0 342.399 3.064 20 5 EGBDRO C[C@@H](c1ccccn1)N1CC[C@@H](Oc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC001226747850 1375323444 /nfs/dbraw/zinc/32/34/44/1375323444.db2.gz GPSREGLBIMPNLG-WCQYABFASA-N 1 0 349.337 3.482 20 5 EGBDRO CC/C(C)=C/C(=O)NC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001227210921 1375407078 /nfs/dbraw/zinc/40/70/78/1375407078.db2.gz HXZYGIRNTQTNFH-SDNWHVSQSA-N 1 0 331.416 3.032 20 5 EGBDRO CC(C)[N@@H+]1CCC[C@H](Oc2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC001227218971 1375407844 /nfs/dbraw/zinc/40/78/44/1375407844.db2.gz GECRBZQCDRLVMT-ZDUSSCGKSA-N 1 0 331.372 3.100 20 5 EGBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1ncnc3cc(Cl)c([N+](=O)[O-])cc31)C2 ZINC001227364099 1375422481 /nfs/dbraw/zinc/42/24/81/1375422481.db2.gz KKRGNGAFRKSCRN-JGPRNRPPSA-N 1 0 348.790 3.195 20 5 EGBDRO O=[N+]([O-])c1ccc(O[C@@H]2CC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001227462418 1375433177 /nfs/dbraw/zinc/43/31/77/1375433177.db2.gz DZXDZIZUWNPQNB-OAHLLOKOSA-N 1 0 343.339 3.156 20 5 EGBDRO CC[N@@H+]1CCC[C@H](Oc2ccc(OC(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001227603102 1375451280 /nfs/dbraw/zinc/45/12/80/1375451280.db2.gz DBQXMYYRGHVIMI-NSHDSACASA-N 1 0 334.294 3.357 20 5 EGBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Oc1cncc([N+](=O)[O-])c1 ZINC001227990027 1375498983 /nfs/dbraw/zinc/49/89/83/1375498983.db2.gz DNXYYJJELAEPNC-KSSFIOAISA-N 1 0 327.384 3.279 20 5 EGBDRO Cc1cc([N+](=O)[O-])cc(C)c1OC[C@@H]1CCC2(CC[NH+](C)CC2)O1 ZINC001228572286 1375601400 /nfs/dbraw/zinc/60/14/00/1375601400.db2.gz YCIRFKDQORNQKB-INIZCTEOSA-N 1 0 334.416 3.234 20 5 EGBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])C(C1CCC1)C1CCC1 ZINC001132966757 1375681207 /nfs/dbraw/zinc/68/12/07/1375681207.db2.gz SXWDGPXRSYYCOH-UHFFFAOYSA-N 1 0 345.443 3.017 20 5 EGBDRO COCCC[NH+]1CCC(Oc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC001229378833 1375823005 /nfs/dbraw/zinc/82/30/05/1375823005.db2.gz AHCFRYKTYQUDME-UHFFFAOYSA-N 1 0 328.796 3.128 20 5 EGBDRO O=c1c2ccc(O)cc2oc2cc(O[C@H]3CCc4nccn4C3)ccc12 ZINC001229513723 1375849508 /nfs/dbraw/zinc/84/95/08/1375849508.db2.gz CBNJNRKPPMNONU-AWEZNQCLSA-N 1 0 348.358 3.242 20 5 EGBDRO Cc1ccc(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1Cl ZINC001133262140 1375878062 /nfs/dbraw/zinc/87/80/62/1375878062.db2.gz WILIJRSGZUPHPA-UHFFFAOYSA-N 1 0 347.802 3.076 20 5 EGBDRO Cc1ccc(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c(Cl)c1 ZINC001134165417 1376396828 /nfs/dbraw/zinc/39/68/28/1376396828.db2.gz QRWWIDQCYJBGTQ-UHFFFAOYSA-N 1 0 347.802 3.076 20 5 EGBDRO C[C@@H](Oc1ccc2nccn2c1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001233747687 1376710113 /nfs/dbraw/zinc/71/01/13/1376710113.db2.gz BIYAFLSPRKOHLL-SNVBAGLBSA-N 1 0 327.296 3.111 20 5 EGBDRO CC(C)[N@@H+]1CCC[C@@H](Oc2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC001233744673 1376710211 /nfs/dbraw/zinc/71/02/11/1376710211.db2.gz BZJNFPNOPQRAMY-SNVBAGLBSA-N 1 0 333.310 3.260 20 5 EGBDRO CCOC(=O)c1csc(-c2ccc(O[C@H](C)C[N+](C)(C)C)cc2)n1 ZINC001233843978 1376725131 /nfs/dbraw/zinc/72/51/31/1376725131.db2.gz JBIVYUOYZBROBK-CYBMUJFWSA-N 1 0 349.476 3.460 20 5 EGBDRO Cc1cccc(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1Cl ZINC001135529497 1377131122 /nfs/dbraw/zinc/13/11/22/1377131122.db2.gz VDPMTMXJCXUMRU-UHFFFAOYSA-N 1 0 347.802 3.076 20 5 EGBDRO O=C1COC[C@@H]2C[N@H+](Cc3c4ccccc4cc4ccccc43)CCN12 ZINC001141728412 1378366501 /nfs/dbraw/zinc/36/65/01/1378366501.db2.gz SKBCVHLIUAGSDJ-SFHVURJKSA-N 1 0 346.430 3.036 20 5 EGBDRO CN1CCN(C2C[NH+](Cc3c4ccccc4cc4ccccc43)C2)CC1 ZINC001141728560 1378366545 /nfs/dbraw/zinc/36/65/45/1378366545.db2.gz WWCAZWYQYKOOIK-UHFFFAOYSA-N 1 0 345.490 3.425 20 5 EGBDRO C[NH+]1CCC(CC(=O)Nc2cc3nc4ccccc4nc3cc2N)CC1 ZINC001143359464 1378587125 /nfs/dbraw/zinc/58/71/25/1378587125.db2.gz KZUPLRWQKZSYBZ-UHFFFAOYSA-N 1 0 349.438 3.036 20 5 EGBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(C2CC2)s1 ZINC001147733778 1379068371 /nfs/dbraw/zinc/06/83/71/1379068371.db2.gz VAZOIRITWKMJMP-UHFFFAOYSA-N 1 0 345.424 3.053 20 5 EGBDRO C[C@H]1C[NH2+]CCC[C@H]1CNc1nc(Cl)c(Cl)cc1[N+](=O)[O-] ZINC001155025708 1380394050 /nfs/dbraw/zinc/39/40/50/1380394050.db2.gz PZOVCSAHWAXNTH-IUCAKERBSA-N 1 0 333.219 3.344 20 5 EGBDRO O=[N+]([O-])c1c(Cl)c2ccccc2nc1N[C@H]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC001155583300 1380470501 /nfs/dbraw/zinc/47/05/01/1380470501.db2.gz KPWQOLMAWDXLIR-CDMKHQONSA-N 1 0 332.791 3.206 20 5 EGBDRO C[N@@H+]1CCC[C@@H](CCNc2nc(Cl)c(Cl)cc2[N+](=O)[O-])C1 ZINC001156378470 1380568022 /nfs/dbraw/zinc/56/80/22/1380568022.db2.gz MBOFIWUYLWFPDQ-VIFPVBQESA-N 1 0 333.219 3.440 20 5 EGBDRO CC(C)[N@H+](C)[C@H]1CCN(c2nc(Cl)nc3ccc([N+](=O)[O-])cc32)C1 ZINC001157009002 1380750036 /nfs/dbraw/zinc/75/00/36/1380750036.db2.gz CYDQJDZUBJTTEB-LBPRGKRZSA-N 1 0 349.822 3.110 20 5 EGBDRO CC(C)[N@H+](C)[C@H]1CCN(c2nc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC001157011097 1380751242 /nfs/dbraw/zinc/75/12/42/1380751242.db2.gz WAIZHMJJHYFONI-VIFPVBQESA-N 1 0 333.219 3.216 20 5 EGBDRO C[NH+](C)[C@H]1CCCC[C@@H]1Nc1cc([N+](=O)[O-])cc2c(Cl)ncnc12 ZINC001157804705 1381038164 /nfs/dbraw/zinc/03/81/64/1381038164.db2.gz NSMSABKTDOWDDV-JSGCOSHPSA-N 1 0 349.822 3.476 20 5 EGBDRO CC1(C)C[C@H](Nc2cc([N+](=O)[O-])c3cc[nH]c3n2)C[C@](C)(C[NH3+])C1 ZINC001158263967 1381177703 /nfs/dbraw/zinc/17/77/03/1381177703.db2.gz HLABUMQFLXVZFY-GTNSWQLSSA-N 1 0 331.420 3.427 20 5 EGBDRO C[NH+]1CCC(N(c2cc(Cl)ncc2[N+](=O)[O-])C2CCCC2)CC1 ZINC001158488317 1381264993 /nfs/dbraw/zinc/26/49/93/1381264993.db2.gz SNXKMOFQIRDBDD-UHFFFAOYSA-N 1 0 338.839 3.486 20 5 EGBDRO CCOc1nc(NC2CC(C)(C)[NH+](C)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC001159397880 1381786402 /nfs/dbraw/zinc/78/64/02/1381786402.db2.gz SAQOAKYXYFTAKP-UHFFFAOYSA-N 1 0 336.436 3.452 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(-n2c(-c3ccccc3)cnc2[C@H](C)[NH3+])n1 ZINC001159594282 1381841470 /nfs/dbraw/zinc/84/14/70/1381841470.db2.gz CRVIVQHKZNQJBV-ZDUSSCGKSA-N 1 0 337.383 3.479 20 5 EGBDRO C[C@H]([NH3+])c1ncc(-c2ccccc2)n1-c1ccc2[nH]cc([N+](=O)[O-])c2n1 ZINC001159596290 1381842494 /nfs/dbraw/zinc/84/24/94/1381842494.db2.gz WYLNVKDSCAREEX-NSHDSACASA-N 1 0 348.366 3.344 20 5 EGBDRO CCOC(=O)c1cc(Nc2ccc3c(c2)C[NH2+]CC3)cc([N+](=O)[O-])c1 ZINC001159616308 1381849291 /nfs/dbraw/zinc/84/92/91/1381849291.db2.gz VVAYHXUSJGZDIK-UHFFFAOYSA-N 1 0 341.367 3.161 20 5 EGBDRO Cc1ccc2c(C[C@H](C)[NH3+])cn(-c3ncc(F)cc3[N+](=O)[O-])c2c1 ZINC001160010058 1381965741 /nfs/dbraw/zinc/96/57/41/1381965741.db2.gz CUXOBCAUGMDGMT-NSHDSACASA-N 1 0 328.347 3.271 20 5 EGBDRO O=[N+]([O-])c1cnc(NCC[NH+]2CCC(F)(F)CC2)c2ccccc21 ZINC001160749158 1382186196 /nfs/dbraw/zinc/18/61/96/1382186196.db2.gz LSAOJAJYSVFUOM-UHFFFAOYSA-N 1 0 336.342 3.286 20 5 EGBDRO [NH3+]Cc1ccccc1CNc1cc2ncnc(Cl)c2cc1[N+](=O)[O-] ZINC001160906320 1382229978 /nfs/dbraw/zinc/22/99/78/1382229978.db2.gz SXXNSNDYILLCOT-UHFFFAOYSA-N 1 0 343.774 3.262 20 5 EGBDRO CCOc1nc(N[C@H]2CC[N@H+](CC3CCCC3)C2)ccc1[N+](=O)[O-] ZINC001161186482 1382332261 /nfs/dbraw/zinc/33/22/61/1382332261.db2.gz MGOFZSJYADVDOY-AWEZNQCLSA-N 1 0 334.420 3.065 20 5 EGBDRO CC(C)(C)[NH+]1CC(Nc2ccc(-c3ccc(F)c([N+](=O)[O-])c3)nn2)C1 ZINC001162225855 1382661336 /nfs/dbraw/zinc/66/13/36/1382661336.db2.gz UUSKDOSAXTZIMC-UHFFFAOYSA-N 1 0 345.378 3.086 20 5 EGBDRO [NH3+]C[C@@H]1Cc2ccccc2CN1c1ccc2c(cccc2[N+](=O)[O-])n1 ZINC001162743792 1382855784 /nfs/dbraw/zinc/85/57/84/1382855784.db2.gz CMQYJXSXXOWRGI-HNNXBMFYSA-N 1 0 334.379 3.033 20 5 EGBDRO COc1c(F)cc(-n2c3ccccc3nc2[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC001162765184 1382864525 /nfs/dbraw/zinc/86/45/25/1382864525.db2.gz DXJJPZRDMGRYAJ-VIFPVBQESA-N 1 0 330.319 3.101 20 5 EGBDRO CCOc1cc(-n2c3ccccc3nc2[C@@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC001162777636 1382869227 /nfs/dbraw/zinc/86/92/27/1382869227.db2.gz DLASOCNFQGUXFB-LLVKDONJSA-N 1 0 326.356 3.352 20 5 EGBDRO O=C(NCCC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1)C1CCCC1 ZINC001163128244 1382971523 /nfs/dbraw/zinc/97/15/23/1382971523.db2.gz OSWLTPWWTLYWBV-UHFFFAOYSA-N 1 0 345.443 3.161 20 5 EGBDRO CC(C)N(c1nc(Cl)nc2ccc([N+](=O)[O-])cc21)C(C)(C)C[NH3+] ZINC001163186985 1382987830 /nfs/dbraw/zinc/98/78/30/1382987830.db2.gz QEFBFHCOLKSGKE-UHFFFAOYSA-N 1 0 337.811 3.144 20 5 EGBDRO O=[N+]([O-])c1cccc2c1ccnc2N[C@@H]1C[NH2+]Cc2ccsc21 ZINC001163220258 1382995761 /nfs/dbraw/zinc/99/57/61/1382995761.db2.gz NJCCEEZYLYRHRB-CYBMUJFWSA-N 1 0 326.381 3.461 20 5 EGBDRO [NH3+]Cc1ccc(-c2cn(-c3nccc4ccc([N+](=O)[O-])cc43)cn2)cc1 ZINC001163222023 1382997047 /nfs/dbraw/zinc/99/70/47/1382997047.db2.gz SMXSIIOVYBPMLH-UHFFFAOYSA-N 1 0 345.362 3.454 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@@H]2C[NH2+]Cc3ccsc32)c2ccncc21 ZINC001163226768 1382998516 /nfs/dbraw/zinc/99/85/16/1382998516.db2.gz LTAOEQOJDJWLCX-CQSZACIVSA-N 1 0 326.381 3.461 20 5 EGBDRO O=[N+]([O-])c1ccc2ccnc(NC[C@@H]3Cc4ccccc4C[NH2+]3)c2c1 ZINC001163274235 1383010953 /nfs/dbraw/zinc/01/09/53/1383010953.db2.gz HHDNGLGIBSNFEM-INIZCTEOSA-N 1 0 334.379 3.269 20 5 EGBDRO [NH3+]C[C@@H](Nc1cc([N+](=O)[O-])cc2c(Cl)ncnc12)c1ccccc1 ZINC001163296509 1383014905 /nfs/dbraw/zinc/01/49/05/1383014905.db2.gz KLNCDOPCKUPJMK-CQSZACIVSA-N 1 0 343.774 3.303 20 5 EGBDRO CCCCC(=O)NCCC1(C[NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC001163464737 1383057547 /nfs/dbraw/zinc/05/75/47/1383057547.db2.gz ZNZVQRRLSKTTSH-UHFFFAOYSA-N 1 0 339.461 3.223 20 5 EGBDRO COc1cc([N+](=O)[O-])cnc1-n1c(C[NH3+])cc2cc(Cl)ccc21 ZINC001163898622 1383133906 /nfs/dbraw/zinc/13/39/06/1383133906.db2.gz XMVOQHQFZOAYGK-UHFFFAOYSA-N 1 0 332.747 3.054 20 5 EGBDRO O=C(NCCC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1)C1=CCCC1 ZINC001164058487 1383151656 /nfs/dbraw/zinc/15/16/56/1383151656.db2.gz MSKIIGYBHCYJBQ-UHFFFAOYSA-N 1 0 343.427 3.081 20 5 EGBDRO CNc1ccc(CNc2ccc([N+](=O)[O-])c(OCC[NH+](C)C)c2)cc1 ZINC001164156121 1383161457 /nfs/dbraw/zinc/16/14/57/1383161457.db2.gz VHHNGIDJZMMHAC-UHFFFAOYSA-N 1 0 344.415 3.189 20 5 EGBDRO Cc1cc(N2CCC[C@](C)(C[NH3+])CC2)nc2ccc([N+](=O)[O-])cc12 ZINC001164242820 1383170492 /nfs/dbraw/zinc/17/04/92/1383170492.db2.gz RQAXPGBUUCXZMR-SFHVURJKSA-N 1 0 328.416 3.407 20 5 EGBDRO Cc1ccnc(N2C[C@H]3CC[N@H+](Cc4ccccc4)[C@H]3C2)c1[N+](=O)[O-] ZINC001165083522 1383224621 /nfs/dbraw/zinc/22/46/21/1383224621.db2.gz GSMTVBKQKBGAKN-SJORKVTESA-N 1 0 338.411 3.009 20 5 EGBDRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1c1ncc(F)cc1[N+](=O)[O-] ZINC001165201993 1383247539 /nfs/dbraw/zinc/24/75/39/1383247539.db2.gz QBGNOGPJLUWGFQ-UONOGXRCSA-N 1 0 344.390 3.228 20 5 EGBDRO CC1(CC(=O)NCCC2(C[NH2+]Cc3ccccc3[N+](=O)[O-])CC2)CC1 ZINC001166217741 1383403830 /nfs/dbraw/zinc/40/38/30/1383403830.db2.gz OFGRJBFTTDXFOR-UHFFFAOYSA-N 1 0 345.443 3.161 20 5 EGBDRO COc1cc([N+](=O)[O-])cnc1NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC001166866163 1383489920 /nfs/dbraw/zinc/48/99/20/1383489920.db2.gz XNCBOULMNSRVMF-MRXNPFEDSA-N 1 0 342.399 3.247 20 5 EGBDRO COc1cnc(NC[C@H](c2ccccc2)[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC001166890453 1383495167 /nfs/dbraw/zinc/49/51/67/1383495167.db2.gz ZVZXLCVNGBKWSH-MRXNPFEDSA-N 1 0 342.399 3.247 20 5 EGBDRO COc1ncc([N+](=O)[O-])cc1NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC001166901783 1383496690 /nfs/dbraw/zinc/49/66/90/1383496690.db2.gz SPEKOVOYIYCOIJ-KRWDZBQOSA-N 1 0 342.399 3.247 20 5 EGBDRO Cc1cccc(C)c1C(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001167246149 1383574738 /nfs/dbraw/zinc/57/47/38/1383574738.db2.gz XRWVJMFENDUXFT-UHFFFAOYSA-N 1 0 341.411 3.121 20 5 EGBDRO [NH3+]Cc1cccn1-c1c2ccc(Br)cc2ncc1[N+](=O)[O-] ZINC001167592764 1383684008 /nfs/dbraw/zinc/68/40/08/1383684008.db2.gz DDZGOCRXSNFUFQ-UHFFFAOYSA-N 1 0 347.172 3.155 20 5 EGBDRO CCCC[NH+](CCCC)CCNc1ccc([N+](=O)[O-])c2c1CNC2=O ZINC001167734767 1383725508 /nfs/dbraw/zinc/72/55/08/1383725508.db2.gz LQHHAINUHQAFEB-UHFFFAOYSA-N 1 0 348.447 3.152 20 5 EGBDRO C[NH+](C)[C@H]1CCCC[C@@H]1Nc1nc(C2CC2)nc(Cl)c1[N+](=O)[O-] ZINC001168593458 1383944055 /nfs/dbraw/zinc/94/40/55/1383944055.db2.gz ODGONVPIDMAFJU-QWRGUYRKSA-N 1 0 339.827 3.200 20 5 EGBDRO CC(C)CCCCC(=O)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001168715818 1383978832 /nfs/dbraw/zinc/97/88/32/1383978832.db2.gz VTNHJGNGSHJXOQ-UHFFFAOYSA-N 1 0 341.477 3.469 20 5 EGBDRO [NH2+]=C(Cc1cccc(C(F)(F)F)c1)N[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168984935 1384079448 /nfs/dbraw/zinc/07/94/48/1384079448.db2.gz BKVGGDUJYHCQJL-WCQYABFASA-N 1 0 329.322 3.260 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H](c2ccc(F)cc2)C2CCOCC2)C1 ZINC001168986762 1384080181 /nfs/dbraw/zinc/08/01/81/1384080181.db2.gz ZAWXSTXNCUCWCF-BVGQSLNGSA-N 1 0 336.407 3.328 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H](c2ccc(F)cc2)C2CCOCC2)C1 ZINC001168986763 1384080322 /nfs/dbraw/zinc/08/03/22/1384080322.db2.gz ZAWXSTXNCUCWCF-FSPWUOQZSA-N 1 0 336.407 3.328 20 5 EGBDRO O=C1CCCCCN1c1cccc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001168991476 1384080658 /nfs/dbraw/zinc/08/06/58/1384080658.db2.gz HFPMHVRZQHVYEJ-SJORKVTESA-N 1 0 345.443 3.129 20 5 EGBDRO CN(Cc1ccccc1F)C1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169043814 1384099523 /nfs/dbraw/zinc/09/95/23/1384099523.db2.gz HUWBZRZXYOVAMU-YJBOKZPZSA-N 1 0 349.450 3.167 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCN(c3cccc4sccc43)CC2)C1 ZINC001169046863 1384100086 /nfs/dbraw/zinc/10/00/86/1384100086.db2.gz NVHSOLDDEJDOCH-HUUCEWRRSA-N 1 0 345.468 3.469 20 5 EGBDRO C[C@H]1CCN(Cc2ccccc2)C[C@@H]1[N@H+](C)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169047468 1384100159 /nfs/dbraw/zinc/10/01/59/1384100159.db2.gz REKUVUIQGXILNI-NBYUQASBSA-N 1 0 345.487 3.274 20 5 EGBDRO C[N@H+](Cc1cccc(OC(F)(F)F)c1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169053205 1384100949 /nfs/dbraw/zinc/10/09/49/1384100949.db2.gz IEIFUULFSQMAKO-STQMWFEESA-N 1 0 332.322 3.462 20 5 EGBDRO Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1ncnc(Cl)c1[N+](=O)[O-] ZINC001169684643 1384173728 /nfs/dbraw/zinc/17/37/28/1384173728.db2.gz VDPIDADDDIHABL-NSHDSACASA-N 1 0 333.779 3.278 20 5 EGBDRO [NH3+]CCc1cn(-c2cc(Cl)ccc2/C=C/[N+](=O)[O-])c2cccnc12 ZINC001169710259 1384176253 /nfs/dbraw/zinc/17/62/53/1384176253.db2.gz HKXCJIJHNYNTGR-RMKNXTFCSA-N 1 0 342.786 3.428 20 5 EGBDRO [NH3+]Cc1ccc2nnn(-c3ccc(-c4ccc([N+](=O)[O-])cc4)cc3)c2c1 ZINC001170024263 1384220555 /nfs/dbraw/zinc/22/05/55/1384220555.db2.gz TVDRXFYOIOIBAH-UHFFFAOYSA-N 1 0 345.362 3.454 20 5 EGBDRO COc1ccc(C[C@@H](C)n2c(C[NH3+])nc3ccccc32)c([N+](=O)[O-])c1 ZINC001170300240 1384285184 /nfs/dbraw/zinc/28/51/84/1384285184.db2.gz YTUSMKFLAMIMBZ-GFCCVEGCSA-N 1 0 340.383 3.216 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+][C@H](CO)C2CCCCC2)c([N+](=O)[O-])c1 ZINC001170304711 1384286989 /nfs/dbraw/zinc/28/69/89/1384286989.db2.gz GDEMLZFQLVSBPN-SUMWQHHRSA-N 1 0 336.432 3.065 20 5 EGBDRO COCc1ccc(C[NH2+][C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC001170321383 1384290606 /nfs/dbraw/zinc/29/06/06/1384290606.db2.gz BEGZXCAXMYEILB-AWEZNQCLSA-N 1 0 344.411 3.471 20 5 EGBDRO COc1ccc(C[C@H](C)[NH+]2CCC(n3cccn3)CC2)c([N+](=O)[O-])c1 ZINC001170352833 1384297957 /nfs/dbraw/zinc/29/79/57/1384297957.db2.gz RIZVYFIWRPRFKV-AWEZNQCLSA-N 1 0 344.415 3.068 20 5 EGBDRO COc1ccc(C[C@H](C)n2cncc2C2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC001170351394 1384298457 /nfs/dbraw/zinc/29/84/57/1384298457.db2.gz FZDZTSVNPIAQOX-ZDUSSCGKSA-N 1 0 344.415 3.071 20 5 EGBDRO C[NH2+]Cc1cccc(N[C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])c1 ZINC001170350672 1384298617 /nfs/dbraw/zinc/29/86/17/1384298617.db2.gz BYMIDVQCGJDYRD-ZDUSSCGKSA-N 1 0 329.400 3.366 20 5 EGBDRO C[C@H]([NH3+])c1ncc(-c2ccccc2)n1-c1cc([N+](=O)[O-])c2nccn2c1 ZINC001170682199 1384365115 /nfs/dbraw/zinc/36/51/15/1384365115.db2.gz MUNTWBIVQHSCHM-LBPRGKRZSA-N 1 0 348.366 3.115 20 5 EGBDRO C[C@H](Nc1ccc([N+](=O)[O-])c(OCC[NH+](C)C)c1)c1cccc(N)c1 ZINC001170733949 1384374881 /nfs/dbraw/zinc/37/48/81/1384374881.db2.gz WQRVQEGQIYBYHZ-ZDUSSCGKSA-N 1 0 344.415 3.291 20 5 EGBDRO CNc1cc([N+](=O)[O-])cnc1-n1cc(C[C@H](C)[NH3+])c2ccc(C)cc21 ZINC001171163875 1384458513 /nfs/dbraw/zinc/45/85/13/1384458513.db2.gz CLCKRRFZJUUBKM-LBPRGKRZSA-N 1 0 339.399 3.174 20 5 EGBDRO Cc1ccc2c(C[C@@H](C)[NH3+])cn(-c3cc([N+](=O)[O-])c4nccn4c3)c2c1 ZINC001171166084 1384458988 /nfs/dbraw/zinc/45/89/88/1384458988.db2.gz BLQUNVNNBDPDJZ-CYBMUJFWSA-N 1 0 349.394 3.385 20 5 EGBDRO [NH3+]Cc1ccc2cn(-c3cc(Cl)ccc3/C=C/[N+](=O)[O-])nc2c1 ZINC001171323033 1384494509 /nfs/dbraw/zinc/49/45/09/1384494509.db2.gz GTCTXOUXNMIWHC-AATRIKPKSA-N 1 0 328.759 3.385 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@@H]1c3ccccc3C[C@@H]1O)CC2 ZINC001172897040 1384873694 /nfs/dbraw/zinc/87/36/94/1384873694.db2.gz XBBCBTFJDYIKOB-LSTHTHJFSA-N 1 0 338.407 3.090 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]Cc1cn3ccccc3n1)CC2 ZINC001172897576 1384874000 /nfs/dbraw/zinc/87/40/00/1384874000.db2.gz AFRBWUDSCPLGSA-MRXNPFEDSA-N 1 0 336.395 3.280 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]CCN1CCCCCC1)CC2 ZINC001172900039 1384874118 /nfs/dbraw/zinc/87/41/18/1384874118.db2.gz RTRVVVKNVXRLBZ-GOSISDBHSA-N 1 0 331.460 3.308 20 5 EGBDRO CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CCc3ccc([N+](=O)[O-])cc3CC1)C2 ZINC001172904522 1384875337 /nfs/dbraw/zinc/87/53/37/1384875337.db2.gz XXEANJBEKCQZNU-MKXGPGLRSA-N 1 0 343.471 3.447 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CCC[C@H]1c1cnccn1)CC2 ZINC001172915175 1384877699 /nfs/dbraw/zinc/87/76/99/1384877699.db2.gz MBMXMSDWXAPABL-APWZRJJASA-N 1 0 338.411 3.469 20 5 EGBDRO COC(=O)[C@@]1(C)CCC[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172916938 1384878446 /nfs/dbraw/zinc/87/84/46/1384878446.db2.gz VAMJPTJPXCTNDJ-APWZRJJASA-N 1 0 346.427 3.117 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CCc3ncsc3C1)CC2 ZINC001172919763 1384879007 /nfs/dbraw/zinc/87/90/07/1384879007.db2.gz HJQNYFHXWPMUCC-CQSZACIVSA-N 1 0 329.425 3.357 20 5 EGBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH2+][C@@H]3C[C@@H]3C3CC3)CC2)c(F)c1 ZINC001173013947 1384898020 /nfs/dbraw/zinc/89/80/20/1384898020.db2.gz IHICDNPSGUQRQT-CZUORRHYSA-N 1 0 337.370 3.230 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CCCC(C)(C)CO)c1F ZINC001173175390 1384931454 /nfs/dbraw/zinc/93/14/54/1384931454.db2.gz BNXJIEFOEIHQDP-LBPRGKRZSA-N 1 0 342.411 3.062 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+](C)Cc2cccnc2)c1F ZINC001173186722 1384933485 /nfs/dbraw/zinc/93/34/85/1384933485.db2.gz SVIRMSBZPRTQIY-GFCCVEGCSA-N 1 0 333.363 3.201 20 5 EGBDRO Cc1ccc2c(c1)[C@H]([NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)N2 ZINC001173211372 1384937002 /nfs/dbraw/zinc/93/70/02/1384937002.db2.gz RPVFILDSGCIKAV-SJCJKPOMSA-N 1 0 325.368 3.117 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H]([C@@H](N)C(F)(F)F)C1 ZINC001173228259 1384940575 /nfs/dbraw/zinc/94/05/75/1384940575.db2.gz IJDPOSBQMQFBDF-UXIGCNINSA-N 1 0 345.365 3.127 20 5 EGBDRO COC(=O)[C@H]1C2CCC(CC2)[C@@H]1[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173230170 1384940705 /nfs/dbraw/zinc/94/07/05/1384940705.db2.gz RKNIOQPCGQASCH-PPBHCVBUSA-N 1 0 346.427 3.093 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC001173228945 1384940854 /nfs/dbraw/zinc/94/08/54/1384940854.db2.gz OFZMLUIHUZVOAX-HNNXBMFYSA-N 1 0 343.402 3.487 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCC([NH+]2CCCCC2)CC1 ZINC001173228959 1384940891 /nfs/dbraw/zinc/94/08/91/1384940891.db2.gz OMYACLIJQGUULD-INIZCTEOSA-N 1 0 331.460 3.476 20 5 EGBDRO C[NH+]1CCC(n2cc(Nc3ccc(/C=C/[N+](=O)[O-])cc3)cn2)CC1 ZINC001175901725 1385432858 /nfs/dbraw/zinc/43/28/58/1385432858.db2.gz YMPXMCYRNCIXTP-IZZDOVSWSA-N 1 0 327.388 3.141 20 5 EGBDRO CC(C)CNC(=O)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC001318494387 1385723159 /nfs/dbraw/zinc/72/31/59/1385723159.db2.gz FXULYLSYBLJVSD-UHFFFAOYSA-N 1 0 347.440 3.185 20 5 EGBDRO O=C(/C=C/C1CC1)NCCCCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001178112166 1386132451 /nfs/dbraw/zinc/13/24/51/1386132451.db2.gz TXVZZENZMXKPBS-VAWYXSNFSA-N 1 0 345.443 3.327 20 5 EGBDRO CS[C@@H]1CC[C@H]([N@H+](C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC001322156231 1387079576 /nfs/dbraw/zinc/07/95/76/1387079576.db2.gz AWUYHEPZOCJTFT-UONOGXRCSA-N 1 0 348.428 3.361 20 5 EGBDRO C[C@H](C[NH+]1CCC(C)CC1)c1nnc(-c2ccc(N)c([N+](=O)[O-])c2)o1 ZINC001322536076 1387201818 /nfs/dbraw/zinc/20/18/18/1387201818.db2.gz CXNHBJMJPCQVDC-GFCCVEGCSA-N 1 0 345.403 3.062 20 5 EGBDRO O=[N+]([O-])c1cnc(N2CCC[C@@H]([NH+]3CCCC3)C2)c2ccccc21 ZINC001331096354 1389628213 /nfs/dbraw/zinc/62/82/13/1389628213.db2.gz YERKWXAWMYJWGA-CQSZACIVSA-N 1 0 326.400 3.208 20 5 EGBDRO COc1c(O)ccc(C[NH2+][C@H]2C[C@@H]2Cc2ccccc2)c1[N+](=O)[O-] ZINC001333743798 1390390460 /nfs/dbraw/zinc/39/04/60/1390390460.db2.gz YKSXJLQNQNEQAU-GJZGRUSLSA-N 1 0 328.368 3.030 20 5 EGBDRO CC1CC[NH+](CCc2nnc(-c3cc(F)ccc3[N+](=O)[O-])o2)CC1 ZINC001341571585 1390504125 /nfs/dbraw/zinc/50/41/25/1390504125.db2.gz VGSMGIDNECHDAU-UHFFFAOYSA-N 1 0 334.351 3.058 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCCN(c3cc[nH+]cc3)CC2)c2ncccc12 ZINC001343190214 1390698165 /nfs/dbraw/zinc/69/81/65/1390698165.db2.gz ZEEUCQQLNWPONM-UHFFFAOYSA-N 1 0 349.394 3.255 20 5 EGBDRO COC(=O)c1cccc(C[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)c1 ZINC001344440922 1390791420 /nfs/dbraw/zinc/79/14/20/1390791420.db2.gz YBCYEQQUQJPBQY-UHFFFAOYSA-N 1 0 342.395 3.494 20 5 EGBDRO Cc1cc(F)ccc1[C@H](C)NC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC001344876714 1390821029 /nfs/dbraw/zinc/82/10/29/1390821029.db2.gz IWCKKHZZOQQKRU-SGTLLEGYSA-N 1 0 345.374 3.094 20 5 EGBDRO CC(C)[N@H+](C)C[C@@H](C)Nc1ncnc2c(Cl)cc([N+](=O)[O-])cc12 ZINC001347243296 1391037414 /nfs/dbraw/zinc/03/74/14/1391037414.db2.gz KHUUORBFEZIEPD-SNVBAGLBSA-N 1 0 337.811 3.332 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC001348522692 1391231591 /nfs/dbraw/zinc/23/15/91/1391231591.db2.gz PLUDUJWYJJDOJV-UHFFFAOYSA-N 1 0 346.431 3.209 20 5 EGBDRO CCN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)C1CCC=CCC1 ZINC001754082083 1440539399 /nfs/dbraw/zinc/53/93/99/1440539399.db2.gz MUCJTTTXIYRHES-UHFFFAOYSA-N 1 0 345.443 3.279 20 5 EGBDRO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000368475087 168361233 /nfs/dbraw/zinc/36/12/33/168361233.db2.gz UYRJREBAZLFWNO-OAHLLOKOSA-N 1 0 349.431 3.474 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)NCc2cccs2)cc1[N+](=O)[O-] ZINC000178687735 232377901 /nfs/dbraw/zinc/37/79/01/232377901.db2.gz KZIVUIGVAUBRNO-QWHCGFSZSA-N 1 0 347.440 3.320 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)N2[C@H](C)CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000181830620 234342493 /nfs/dbraw/zinc/34/24/93/234342493.db2.gz NRAXCWCUWQCTKU-QLFBSQMISA-N 1 0 333.432 3.343 20 5 EGBDRO C[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000181950711 234391746 /nfs/dbraw/zinc/39/17/46/234391746.db2.gz AXXQOTVLLQDCLJ-ALKREAHSSA-N 1 0 342.395 3.028 20 5 EGBDRO CC[NH+](CC)[C@H](CNc1ccc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000032814788 202235356 /nfs/dbraw/zinc/23/53/56/202235356.db2.gz LADAKCGNDNOPPN-KRWDZBQOSA-N 1 0 328.416 3.355 20 5 EGBDRO C[C@](O)(CC[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000189828031 237292832 /nfs/dbraw/zinc/29/28/32/237292832.db2.gz GJNFZABUHWFONH-XSBJJCPUSA-N 1 0 326.396 3.495 20 5 EGBDRO CNC(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000079122110 202423984 /nfs/dbraw/zinc/42/39/84/202423984.db2.gz COKCQYSRPITREI-ZDUSSCGKSA-N 1 0 327.384 3.114 20 5 EGBDRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000152538126 201392368 /nfs/dbraw/zinc/39/23/68/201392368.db2.gz BOBMZGPPAGKYKL-LBPRGKRZSA-N 1 0 341.839 3.489 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000194477221 240598415 /nfs/dbraw/zinc/59/84/15/240598415.db2.gz KAZCBQIVLZCRMW-ACJLOTCBSA-N 1 0 333.432 3.144 20 5 EGBDRO CC(C)c1ccc([C@H]([NH3+])CNC(=O)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000236767834 242352639 /nfs/dbraw/zinc/35/26/39/242352639.db2.gz FNZWEQNPHFPPKI-GOSISDBHSA-N 1 0 341.411 3.077 20 5 EGBDRO CNC(=O)CCC[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000093717482 203702835 /nfs/dbraw/zinc/70/28/35/203702835.db2.gz KNAKOKNJZFTKPA-UHFFFAOYSA-N 1 0 347.440 3.281 20 5 EGBDRO CCCO[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000108391306 204260514 /nfs/dbraw/zinc/26/05/14/204260514.db2.gz NLFZEZFAYPZPJO-YOEHRIQHSA-N 1 0 349.431 3.203 20 5 EGBDRO Cc1c(C(=O)NCCCCC[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000110438699 204311881 /nfs/dbraw/zinc/31/18/81/204311881.db2.gz MSHDVFWGNVEMGM-UHFFFAOYSA-N 1 0 333.432 3.289 20 5 EGBDRO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)Cc1ccccn1 ZINC000125390246 205007187 /nfs/dbraw/zinc/00/71/87/205007187.db2.gz PUJLYGYABLDMTL-UHFFFAOYSA-N 1 0 342.399 3.149 20 5 EGBDRO CC[C@H]([NH2+]CCc1nnc2n1CCCCC2)c1cccc([N+](=O)[O-])c1 ZINC000126647484 205066580 /nfs/dbraw/zinc/06/65/80/205066580.db2.gz BKPWFVDYRPKAGF-INIZCTEOSA-N 1 0 343.431 3.196 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000156078869 206055123 /nfs/dbraw/zinc/05/51/23/206055123.db2.gz IMFYXEIJFHMYDA-AWEZNQCLSA-N 1 0 348.428 3.389 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+]CCCN(C)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000156374897 206074177 /nfs/dbraw/zinc/07/41/77/206074177.db2.gz WITXCZUORQRJPP-GFCCVEGCSA-N 1 0 333.354 3.438 20 5 EGBDRO CCC[NH+]1CCC(N(C)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000157625411 206147998 /nfs/dbraw/zinc/14/79/98/206147998.db2.gz ZDIUTTDBBXTMIJ-UHFFFAOYSA-N 1 0 334.420 3.241 20 5 EGBDRO COc1ccc([C@H](CO)[N@H+](C)Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000264932964 247057851 /nfs/dbraw/zinc/05/78/51/247057851.db2.gz QHRWEOMUBYEXIC-SFHVURJKSA-N 1 0 330.384 3.077 20 5 EGBDRO C[C@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)C[NH+]1CCCCC1 ZINC000265862451 247864603 /nfs/dbraw/zinc/86/46/03/247864603.db2.gz ZLVXSWSAFBNUMV-OAHLLOKOSA-N 1 0 347.459 3.111 20 5 EGBDRO CC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000163265287 206443738 /nfs/dbraw/zinc/44/37/38/206443738.db2.gz WMLFDWCGANZDCS-TZMCWYRMSA-N 1 0 335.404 3.100 20 5 EGBDRO CCC1(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CCOCC1 ZINC000266615429 248383609 /nfs/dbraw/zinc/38/36/09/248383609.db2.gz JMJXIKLKIHXFAJ-UHFFFAOYSA-N 1 0 344.358 3.493 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000408441227 169177619 /nfs/dbraw/zinc/17/76/19/169177619.db2.gz DESUGTPBKULLAG-OAGGEKHMSA-N 1 0 345.443 3.381 20 5 EGBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000175163633 207099984 /nfs/dbraw/zinc/09/99/84/207099984.db2.gz YWKRSCIOUBFYQX-QWRGUYRKSA-N 1 0 340.811 3.243 20 5 EGBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000175163662 207100142 /nfs/dbraw/zinc/10/01/42/207100142.db2.gz YWKRSCIOUBFYQX-MNOVXSKESA-N 1 0 340.811 3.243 20 5 EGBDRO O=[N+]([O-])c1ccc(NCC[C@H]2CCC[NH2+]C2)c(Br)c1 ZINC000113254300 207247024 /nfs/dbraw/zinc/24/70/24/207247024.db2.gz VPJLDTKGZPAAPC-SNVBAGLBSA-N 1 0 328.210 3.159 20 5 EGBDRO O=C(NC1CC[NH+](C2CCCCC2)CC1)c1ccc([N+](=O)[O-])s1 ZINC000177255923 207314168 /nfs/dbraw/zinc/31/41/68/207314168.db2.gz YAKCRNDSWSSGLS-UHFFFAOYSA-N 1 0 337.445 3.183 20 5 EGBDRO Cc1ccc(C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000010018722 140761950 /nfs/dbraw/zinc/76/19/50/140761950.db2.gz FZNBRMCPRZWEQE-KRWDZBQOSA-N 1 0 345.374 3.075 20 5 EGBDRO CCCN(CC[NH+]1CCCCC1)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000342794258 141148515 /nfs/dbraw/zinc/14/85/15/141148515.db2.gz KWECGQFTKXCFID-UHFFFAOYSA-N 1 0 337.395 3.072 20 5 EGBDRO C[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000357977097 141372583 /nfs/dbraw/zinc/37/25/83/141372583.db2.gz AHKFZYNMWGXGBX-OLZOCXBDSA-N 1 0 349.406 3.117 20 5 EGBDRO CC[N@H+](C)Cc1cccc(CNC(=O)c2cc(C)ccc2[N+](=O)[O-])c1 ZINC000173207722 144037399 /nfs/dbraw/zinc/03/73/99/144037399.db2.gz MSGQBDFFCOCJAA-UHFFFAOYSA-N 1 0 341.411 3.285 20 5 EGBDRO C[C@H]([NH2+][C@H]1C[C@H](C)N(c2ccccc2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000173449709 144042227 /nfs/dbraw/zinc/04/22/27/144042227.db2.gz QPKGAUGWPZRJRA-DEYYWGMASA-N 1 0 339.395 3.439 20 5 EGBDRO COc1ccc(C[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)cc1[N+](=O)[O-] ZINC000186443671 144133684 /nfs/dbraw/zinc/13/36/84/144133684.db2.gz KHPDHFBENVUQTR-IBGZPJMESA-N 1 0 340.379 3.235 20 5 EGBDRO COC(=O)c1ccccc1CC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000186494973 144135481 /nfs/dbraw/zinc/13/54/81/144135481.db2.gz MFHFSQFHWRURSF-UHFFFAOYSA-N 1 0 328.368 3.056 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@@H](O)Cc1cccc(Cl)c1)CC2 ZINC000347033284 144251336 /nfs/dbraw/zinc/25/13/36/144251336.db2.gz MUEQOAWWHIETNR-SFHVURJKSA-N 1 0 346.814 3.210 20 5 EGBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](C)C2(CCC2)C1 ZINC000357025919 144326099 /nfs/dbraw/zinc/32/60/99/144326099.db2.gz QJCXZTFYEVHZDM-UONOGXRCSA-N 1 0 331.416 3.434 20 5 EGBDRO COc1ccc(NC(=O)C[N@H+](CC2CC2)CC2CCC2)c([N+](=O)[O-])c1 ZINC000361570481 144329956 /nfs/dbraw/zinc/32/99/56/144329956.db2.gz CQYAWAMASJEVDY-UHFFFAOYSA-N 1 0 347.415 3.054 20 5 EGBDRO Cc1c(NC(=O)CC[N@H+](CC2CC2)C2CCC2)cccc1[N+](=O)[O-] ZINC000361580379 144331653 /nfs/dbraw/zinc/33/16/53/144331653.db2.gz XUINBTLEQPLLGH-UHFFFAOYSA-N 1 0 331.416 3.496 20 5 EGBDRO CCOCCC[N@@H+]1CC[C@H](N[C@@H](C)c2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000266820881 286063646 /nfs/dbraw/zinc/06/36/46/286063646.db2.gz YZYKTRCQRRAJHJ-BQFCYCMXSA-N 1 0 349.475 3.382 20 5 EGBDRO COc1ccc(NC(=O)C[N@@H+]2CCCC[C@@H]2C(C)C)c([N+](=O)[O-])c1 ZINC000117347334 152096842 /nfs/dbraw/zinc/09/68/42/152096842.db2.gz WVXSDRRTZCMVJX-OAHLLOKOSA-N 1 0 335.404 3.052 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]Cc2cccnc2-n2cccn2)cc1[N+](=O)[O-] ZINC000177904523 152975455 /nfs/dbraw/zinc/97/54/55/152975455.db2.gz IQANLRMRDQMONH-AWEZNQCLSA-N 1 0 337.383 3.335 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)n1 ZINC000268828545 292286470 /nfs/dbraw/zinc/28/64/70/292286470.db2.gz RQRRRVVNGCBZML-MRXNPFEDSA-N 1 0 332.448 3.247 20 5 EGBDRO CC(C)(NC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000262566595 153832504 /nfs/dbraw/zinc/83/25/04/153832504.db2.gz RUOQWMVBFLJOGZ-HFZWIWRYSA-N 1 0 345.443 3.100 20 5 EGBDRO CCN(Cc1ccccc1Cl)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000302966094 154031372 /nfs/dbraw/zinc/03/13/72/154031372.db2.gz REPPOWKHGLSVAA-UHFFFAOYSA-N 1 0 347.802 3.369 20 5 EGBDRO Cc1cnc(N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000310382809 154142906 /nfs/dbraw/zinc/14/29/06/154142906.db2.gz PSWOTHKOYSNLPG-ZBFHGGJFSA-N 1 0 326.400 3.373 20 5 EGBDRO O=[N+]([O-])c1ccc(NCC[NH+]2CCSCC2)cc1C(F)(F)F ZINC000318436055 154160082 /nfs/dbraw/zinc/16/00/82/154160082.db2.gz CFWDTWGYIJCDFA-UHFFFAOYSA-N 1 0 335.351 3.074 20 5 EGBDRO COc1cccc([C@@H](CNc2cc(OC)ccc2[N+](=O)[O-])[NH+](C)C)c1 ZINC000327217496 154186817 /nfs/dbraw/zinc/18/68/17/154186817.db2.gz TVDGHKAYXPAAQB-GOSISDBHSA-N 1 0 345.399 3.327 20 5 EGBDRO CCN(CCC[NH+](CC)CC)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000336872413 154223936 /nfs/dbraw/zinc/22/39/36/154223936.db2.gz NHFOANZGIGOAGZ-UHFFFAOYSA-N 1 0 341.839 3.442 20 5 EGBDRO Cc1c(NC(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000337339991 154292016 /nfs/dbraw/zinc/29/20/16/154292016.db2.gz OZDQCAAREGXWOH-CHWSQXEVSA-N 1 0 334.420 3.288 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCCC[C@@H]1OC(F)F ZINC000337397013 154332132 /nfs/dbraw/zinc/33/21/32/154332132.db2.gz JCJXENKWXKPNMO-STQMWFEESA-N 1 0 330.331 3.243 20 5 EGBDRO CC[NH+](CC)Cc1cccc(CNC(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000339906088 155027052 /nfs/dbraw/zinc/02/70/52/155027052.db2.gz SRZWZGKQSUBVQH-UHFFFAOYSA-N 1 0 347.440 3.428 20 5 EGBDRO C[NH+](C)CCN(c1ccc([N+](=O)[O-])c2cnccc21)C1CCCC1 ZINC000339968143 155055170 /nfs/dbraw/zinc/05/51/70/155055170.db2.gz RZOBJYZNDJTOTN-UHFFFAOYSA-N 1 0 328.416 3.454 20 5 EGBDRO CC[NH+](CC)Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])n2C)cc1 ZINC000346972547 156224351 /nfs/dbraw/zinc/22/43/51/156224351.db2.gz YTHULONTDVCNJI-UHFFFAOYSA-N 1 0 330.388 3.027 20 5 EGBDRO C[C@@H]1CCc2nc(CN(CC[NH3+])c3ccccc3[N+](=O)[O-])sc2C1 ZINC000348907235 156283924 /nfs/dbraw/zinc/28/39/24/156283924.db2.gz WRZGMZDVIAOBLX-GFCCVEGCSA-N 1 0 346.456 3.141 20 5 EGBDRO COc1cc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])ccc1SC ZINC000348918927 156288148 /nfs/dbraw/zinc/28/81/48/156288148.db2.gz DXMFPEJEPDNKDB-UHFFFAOYSA-N 1 0 347.440 3.291 20 5 EGBDRO COc1cc(C[NH+]2C[C@@H](C)[C@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000352628169 156388940 /nfs/dbraw/zinc/38/89/40/156388940.db2.gz JUFRWCMDEKXQOA-GHMZBOCLSA-N 1 0 344.358 3.335 20 5 EGBDRO O=C(Nc1cccc([N+](=O)[O-])c1)NC1CC[NH+](C2CCCC2)CC1 ZINC000079820370 161810368 /nfs/dbraw/zinc/81/03/68/161810368.db2.gz VWUMGWWJKOTXRB-UHFFFAOYSA-N 1 0 332.404 3.123 20 5 EGBDRO C[C@@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccccc1 ZINC000109146846 162094904 /nfs/dbraw/zinc/09/49/04/162094904.db2.gz VTMKLSHDCXEGRS-DYVFJYSZSA-N 1 0 325.368 3.051 20 5 EGBDRO Cc1cc(C(=O)NCCCCC[NH+]2CCCCC2)cc([N+](=O)[O-])c1 ZINC000110438780 162127318 /nfs/dbraw/zinc/12/73/18/162127318.db2.gz XQFSYMYAGDCFMT-UHFFFAOYSA-N 1 0 333.432 3.289 20 5 EGBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)CC1CCC1 ZINC000111296778 162151336 /nfs/dbraw/zinc/15/13/36/162151336.db2.gz MACAAYNAFXFLNW-JTQLQIEISA-N 1 0 325.796 3.307 20 5 EGBDRO CSc1ccc(C(=O)NC[C@@H](CC(C)C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000114377987 162229530 /nfs/dbraw/zinc/22/95/30/162229530.db2.gz SFZCIGSTGNYLSJ-CYBMUJFWSA-N 1 0 339.461 3.023 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)cc1 ZINC000305052482 163073005 /nfs/dbraw/zinc/07/30/05/163073005.db2.gz NFFSUJKSQFEZTE-SJORKVTESA-N 1 0 330.384 3.318 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(NC[C@H](c2cccc(F)c2)[NH+](C)C)c1 ZINC000338638902 163301024 /nfs/dbraw/zinc/30/10/24/163301024.db2.gz ZPFDJFPFWZGJJZ-QGZVFWFLSA-N 1 0 333.363 3.457 20 5 EGBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CC[NH+](CC3CC3)CC2)c1 ZINC000338926879 163389639 /nfs/dbraw/zinc/38/96/39/163389639.db2.gz DVXNJZXTRWOGLK-UHFFFAOYSA-N 1 0 343.349 3.141 20 5 EGBDRO CCOC(=O)CC(C)(C)[N@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000343894520 164060897 /nfs/dbraw/zinc/06/08/97/164060897.db2.gz CVRXPWWSIQJTEC-UHFFFAOYSA-N 1 0 328.796 3.412 20 5 EGBDRO C[C@H]([NH2+]CCC(=O)N(C)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000343912187 164063925 /nfs/dbraw/zinc/06/39/25/164063925.db2.gz HLKXFVYYNYSNKP-AWEZNQCLSA-N 1 0 327.384 3.299 20 5 EGBDRO CCO[C@H]1C[C@@H]([NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])C1(CC)CC ZINC000344109512 164105090 /nfs/dbraw/zinc/10/50/90/164105090.db2.gz SKPYEWDTAAKLNO-CVEARBPZSA-N 1 0 349.431 3.107 20 5 EGBDRO CC[C@]1(C)CCN([C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000344213118 164127907 /nfs/dbraw/zinc/12/79/07/164127907.db2.gz DMYDAKDDVKPWDG-YVEFUNNKSA-N 1 0 335.404 3.052 20 5 EGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCO[C@H]1c1cccnc1 ZINC000344253889 164137990 /nfs/dbraw/zinc/13/79/90/164137990.db2.gz HCDAYGFAFZURTL-LJHODMEESA-N 1 0 341.411 3.431 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](O)CCc1ccccc1 ZINC000344352820 164162425 /nfs/dbraw/zinc/16/24/25/164162425.db2.gz PRFKOOAMBMOPSF-SFHVURJKSA-N 1 0 344.411 3.077 20 5 EGBDRO COc1ccc(-c2ccc(C[NH2+][C@H](C)[C@H]3CCOC3)o2)c([N+](=O)[O-])c1 ZINC000344597671 164196128 /nfs/dbraw/zinc/19/61/28/164196128.db2.gz CYPLYZQFIIISHW-OLZOCXBDSA-N 1 0 346.383 3.378 20 5 EGBDRO O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000345803132 164268895 /nfs/dbraw/zinc/26/88/95/164268895.db2.gz SRYCBOOXUKTZAT-UHFFFAOYSA-N 1 0 334.335 3.408 20 5 EGBDRO C[C@@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[N@@H+]1CCCC[C@H]1C ZINC000345993688 164312445 /nfs/dbraw/zinc/31/24/45/164312445.db2.gz PDHZCXOGGQTZEG-NEPJUHHUSA-N 1 0 339.823 3.241 20 5 EGBDRO CCOC(=O)C1(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000351940566 165159120 /nfs/dbraw/zinc/15/91/20/165159120.db2.gz FTHXVBKVUSTVJO-UHFFFAOYSA-N 1 0 344.367 3.288 20 5 EGBDRO COc1ccccc1[C@@H]1CC[C@@H](C)C[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000352256035 165312633 /nfs/dbraw/zinc/31/26/33/165312633.db2.gz FVDPZIQRIKKKKR-ZBFHGGJFSA-N 1 0 344.415 3.273 20 5 EGBDRO COc1ccc(CN2CCC[C@H]([NH+]3[C@H](C)CC[C@H]3C)C2)cc1[N+](=O)[O-] ZINC000352311281 165336768 /nfs/dbraw/zinc/33/67/68/165336768.db2.gz UGTCJLACGDZQNB-INMHGKMJSA-N 1 0 347.459 3.441 20 5 EGBDRO COc1ncccc1CC[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000353144034 165644462 /nfs/dbraw/zinc/64/44/62/165644462.db2.gz BOWDPQPRDGIXBY-SDNWHVSQSA-N 1 0 327.384 3.234 20 5 EGBDRO CCc1ccc(C(=O)NCCCCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000357112190 166587273 /nfs/dbraw/zinc/58/72/73/166587273.db2.gz BLHMSUWMQZEYHS-UHFFFAOYSA-N 1 0 333.432 3.153 20 5 EGBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@H](c2ccccc2)c2ccc(F)cc2)n1 ZINC000176238123 265165041 /nfs/dbraw/zinc/16/50/41/265165041.db2.gz YWBUHOIOCBWVLP-GOSISDBHSA-N 1 0 340.358 3.310 20 5 EGBDRO CCOc1ccc(NC(=O)C[N@H+](C)[C@H](C)C2(C)CC2)c([N+](=O)[O-])c1 ZINC000177232890 265241998 /nfs/dbraw/zinc/24/19/98/265241998.db2.gz FYOBQTQPZKJBEI-GFCCVEGCSA-N 1 0 335.404 3.052 20 5 EGBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H]2CCCC2(C)C)c([N+](=O)[O-])c1 ZINC000191864127 265936748 /nfs/dbraw/zinc/93/67/48/265936748.db2.gz CGDMLKKDIWLILT-OAHLLOKOSA-N 1 0 335.404 3.100 20 5 EGBDRO C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000237364374 266231177 /nfs/dbraw/zinc/23/11/77/266231177.db2.gz QBBSGKPJYLFVBS-ZDUSSCGKSA-N 1 0 328.368 3.434 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@H+](Cc2ccc(F)cc2)C2CC2)c1 ZINC000269679028 266339818 /nfs/dbraw/zinc/33/98/18/266339818.db2.gz DLNWYFMRUJMVEE-GOSISDBHSA-N 1 0 330.359 3.432 20 5 EGBDRO COc1ccc([C@@H](C)[N@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000269684129 266341136 /nfs/dbraw/zinc/34/11/36/266341136.db2.gz SBTITPCELZWKHU-FZKQIMNGSA-N 1 0 330.384 3.330 20 5 EGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)CC[S@@](C)=O ZINC000271553944 266686262 /nfs/dbraw/zinc/68/62/62/266686262.db2.gz WFPCIHSTHJLAST-UAGWRWDDSA-N 1 0 344.502 3.212 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCC1(C)CC[NH+](C)CC1 ZINC000272549250 266868495 /nfs/dbraw/zinc/86/84/95/266868495.db2.gz PBVJWEJOZPBMHB-UHFFFAOYSA-N 1 0 334.420 3.065 20 5 EGBDRO [NH3+]CC1(CC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CCCCC1 ZINC000274193293 267195711 /nfs/dbraw/zinc/19/57/11/267195711.db2.gz FQOZZABELCHCTO-UHFFFAOYSA-N 1 0 339.823 3.164 20 5 EGBDRO Cc1cc(N2CCN([C@@H](C)c3nccs3)CC2)ccc1[N+](=O)[O-] ZINC000274314443 267215919 /nfs/dbraw/zinc/21/59/19/267215919.db2.gz RQIGXTXXYWPGQT-ZDUSSCGKSA-N 1 0 332.429 3.243 20 5 EGBDRO CN(C)[C@H](C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccco1 ZINC000192598452 273814945 /nfs/dbraw/zinc/81/49/45/273814945.db2.gz LXBHLIPRZZDOJU-IAGOWNOFSA-N 1 0 329.400 3.458 20 5 EGBDRO C[NH+](C)[C@H](CNc1ccc2ncccc2c1[N+](=O)[O-])c1ccco1 ZINC000068658520 273815180 /nfs/dbraw/zinc/81/51/80/273815180.db2.gz LPWDYJYKUFJPCW-OAHLLOKOSA-N 1 0 326.356 3.451 20 5 EGBDRO O=[N+]([O-])c1cc(F)c(N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(F)c1 ZINC000121791118 275033720 /nfs/dbraw/zinc/03/37/20/275033720.db2.gz JZDJAEAJGMDOOL-BDJLRTHQSA-N 1 0 337.370 3.326 20 5 EGBDRO O=[N+]([O-])c1ccn(CC[N@H+](C2CC2)[C@H]2CCCc3ccccc32)n1 ZINC000176215900 275040506 /nfs/dbraw/zinc/04/05/06/275040506.db2.gz RDLAANPDTGLROV-KRWDZBQOSA-N 1 0 326.400 3.333 20 5 EGBDRO Cc1cccc(C(=O)Nc2ccc(OCC[NH+](C)C)cc2)c1[N+](=O)[O-] ZINC000046721006 275138387 /nfs/dbraw/zinc/13/83/87/275138387.db2.gz DSTNMBVPCOCGRX-UHFFFAOYSA-N 1 0 343.383 3.096 20 5 EGBDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000162883392 275196724 /nfs/dbraw/zinc/19/67/24/275196724.db2.gz HNFWIUFNYNRSGI-CQSZACIVSA-N 1 0 334.420 3.084 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCc3nccn3C1)CCC2 ZINC000279025978 275296989 /nfs/dbraw/zinc/29/69/89/275296989.db2.gz VLJOHRFVDUROMQ-SUMWQHHRSA-N 1 0 326.400 3.021 20 5 EGBDRO O=[N+]([O-])c1cc(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc(C(F)(F)F)c1 ZINC000279556961 275339713 /nfs/dbraw/zinc/33/97/13/275339713.db2.gz RKLAQOBEFPLHQX-KBPBESRZSA-N 1 0 343.349 3.330 20 5 EGBDRO CC(C)c1ccc(C(=O)N2CCCC23CC[NH+](C)CC3)cc1[N+](=O)[O-] ZINC000364749859 275732369 /nfs/dbraw/zinc/73/23/69/275732369.db2.gz OLENJHAKUWIZFL-UHFFFAOYSA-N 1 0 345.443 3.419 20 5 EGBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)c1F ZINC000284111115 275775158 /nfs/dbraw/zinc/77/51/58/275775158.db2.gz WUXBABWIWFCQCW-CQSZACIVSA-N 1 0 349.406 3.133 20 5 EGBDRO C[C@@H]([NH2+]Cc1ccc(N2CCCC2)nc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284144627 275777548 /nfs/dbraw/zinc/77/75/48/275777548.db2.gz OXURXPYZZQIQBB-CYBMUJFWSA-N 1 0 341.415 3.023 20 5 EGBDRO C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285306361 275863538 /nfs/dbraw/zinc/86/35/38/275863538.db2.gz SHAJVFISQOQCAW-SOZUMNATSA-N 1 0 347.390 3.479 20 5 EGBDRO Cn1ccnc1[C@@H]([NH2+]C[C@H]1CCCSC1)c1ccc([N+](=O)[O-])cc1 ZINC000287079776 276080579 /nfs/dbraw/zinc/08/05/79/276080579.db2.gz OOIGMCZIGNXKIO-CJNGLKHVSA-N 1 0 346.456 3.151 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000287673731 276145910 /nfs/dbraw/zinc/14/59/10/276145910.db2.gz SGNSCNNBBYBJMP-CABCVRRESA-N 1 0 346.431 3.302 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000287774588 276155900 /nfs/dbraw/zinc/15/59/00/276155900.db2.gz YJAQGJRZEYISKE-GDBMZVCRSA-N 1 0 346.431 3.302 20 5 EGBDRO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)[C@@H](C)C(C)C ZINC000118833061 276342421 /nfs/dbraw/zinc/34/24/21/276342421.db2.gz RLUNVCJERJQWDP-ZDUSSCGKSA-N 1 0 337.420 3.298 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCC[C@H](C4CC4)C3)n2)cc1 ZINC000289498313 276348408 /nfs/dbraw/zinc/34/84/08/276348408.db2.gz TYXQBPMFSVWQAY-AWEZNQCLSA-N 1 0 328.372 3.267 20 5 EGBDRO Cc1nnc(CC[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])s1 ZINC000289558219 276357656 /nfs/dbraw/zinc/35/76/56/276357656.db2.gz AFGARQRXWKLEIE-DZGCQCFKSA-N 1 0 346.456 3.298 20 5 EGBDRO CC(C)[NH2+]C1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000289813566 276399475 /nfs/dbraw/zinc/39/94/75/276399475.db2.gz VWOGEQRIZLKZRW-UHFFFAOYSA-N 1 0 340.811 3.243 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1COc3ccccc3[C@@H]1O)CCC2 ZINC000290341512 276482442 /nfs/dbraw/zinc/48/24/42/276482442.db2.gz PMQOAFJEYUSXJT-LMMKCTJWSA-N 1 0 340.379 3.056 20 5 EGBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000192555380 276722412 /nfs/dbraw/zinc/72/24/12/276722412.db2.gz BAMAHOXTPDAPKU-CQSZACIVSA-N 1 0 347.419 3.270 20 5 EGBDRO Cc1cc(NCC2([NH+]3CCCC3)CCOCC2)c(F)cc1[N+](=O)[O-] ZINC000292540692 276819691 /nfs/dbraw/zinc/81/96/91/276819691.db2.gz IHWLBXAQPNFWCK-UHFFFAOYSA-N 1 0 337.395 3.099 20 5 EGBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC2(CC[NH+](C)CC2)C1 ZINC000376421301 278244522 /nfs/dbraw/zinc/24/45/22/278244522.db2.gz OOHUTNICOIIYLB-UHFFFAOYSA-N 1 0 331.416 3.110 20 5 EGBDRO C[C@H]([NH2+]CCN1CCc2ccccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000178642785 278259279 /nfs/dbraw/zinc/25/92/79/278259279.db2.gz OASVAGOLEPGZIF-HNNXBMFYSA-N 1 0 325.412 3.304 20 5 EGBDRO C[C@@H]1[C@@H](NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CCC[N@@H+]1C ZINC000343511853 279093034 /nfs/dbraw/zinc/09/30/34/279093034.db2.gz JDOHZWFPHDBAJV-DOMZBBRYSA-N 1 0 333.432 3.105 20 5 EGBDRO C[C@H](C[NH+]1CCCCCC1)Nc1ncnc2cccc([N+](=O)[O-])c21 ZINC000355782867 279306358 /nfs/dbraw/zinc/30/63/58/279306358.db2.gz GKDYGLPVPCBPLB-CYBMUJFWSA-N 1 0 329.404 3.214 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C1CCN(C2CC2)CC1)C1CC1 ZINC000119648658 280374349 /nfs/dbraw/zinc/37/43/49/280374349.db2.gz AEAVNCBPPONIFA-GOSISDBHSA-N 1 0 329.444 3.132 20 5 EGBDRO Cc1ccc([C@H](CNC(=O)c2cc(C)ccc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000173284006 280987101 /nfs/dbraw/zinc/98/71/01/280987101.db2.gz YUDKXWWYDVRFPY-SFHVURJKSA-N 1 0 341.411 3.244 20 5 EGBDRO Cc1c(NC(=O)CC[N@@H+](C)CCc2ccccc2)cccc1[N+](=O)[O-] ZINC000053048290 307334566 /nfs/dbraw/zinc/33/45/66/307334566.db2.gz MQHYTWLTHCBLNH-UHFFFAOYSA-N 1 0 341.411 3.406 20 5 EGBDRO Cc1ccc(CN(CC[NH+](C)C)C(=O)c2cc([N+](=O)[O-])ccc2C)o1 ZINC000063704018 307355625 /nfs/dbraw/zinc/35/56/25/307355625.db2.gz NXNQPSSDKAEMAB-UHFFFAOYSA-N 1 0 345.399 3.009 20 5 EGBDRO COc1ccc(C[N@H+](C)Cc2cccc(N(C)C)c2)cc1[N+](=O)[O-] ZINC000072599751 307380496 /nfs/dbraw/zinc/38/04/96/307380496.db2.gz GZHHIZPPANOBBU-UHFFFAOYSA-N 1 0 329.400 3.301 20 5 EGBDRO C[NH+](C)Cc1cccc(C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000079975913 307430650 /nfs/dbraw/zinc/43/06/50/307430650.db2.gz RMPPNJOGIRPXNR-UHFFFAOYSA-N 1 0 341.411 3.322 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCC(=O)N1CCCCCC1 ZINC000129081187 307609724 /nfs/dbraw/zinc/60/97/24/307609724.db2.gz PRIBMJULJHYUMK-OAHLLOKOSA-N 1 0 333.432 3.347 20 5 EGBDRO CCOC(=O)N(C)C1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000130832274 307634846 /nfs/dbraw/zinc/63/48/46/307634846.db2.gz JJVQFQAJUDRVJJ-SOFGYWHQSA-N 1 0 347.415 3.161 20 5 EGBDRO COc1ccc([C@@H](CO)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000414196765 309066152 /nfs/dbraw/zinc/06/61/52/309066152.db2.gz WBUIMHXZWRUNKA-GOEBONIOSA-N 1 0 344.411 3.339 20 5 EGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1nnc(C2CC2)s1 ZINC000414322256 309072989 /nfs/dbraw/zinc/07/29/89/309072989.db2.gz GQRZYABUXPCMKH-NSHDSACASA-N 1 0 332.429 3.435 20 5 EGBDRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000245664046 307955979 /nfs/dbraw/zinc/95/59/79/307955979.db2.gz AQDUBCDAXRRPFW-FRFSOERESA-N 1 0 334.416 3.095 20 5 EGBDRO C[C@H]1CN(C/C=C\c2ccccc2[N+](=O)[O-])CCN1CC(F)(F)F ZINC000255455071 308051101 /nfs/dbraw/zinc/05/11/01/308051101.db2.gz FYYYENQWILMEDL-AGLBCWCQSA-N 1 0 343.349 3.176 20 5 EGBDRO CCC[C@H](C)C(=O)NCC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000293848037 308167616 /nfs/dbraw/zinc/16/76/16/308167616.db2.gz YEAUMPDMAVPERK-YOEHRIQHSA-N 1 0 347.459 3.058 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C1(CO)C2CC3CC(C2)CC1C3 ZINC000414538184 309087367 /nfs/dbraw/zinc/08/73/67/309087367.db2.gz AKMHNIAUWDRWPA-HYXAFXHYSA-N 1 0 342.439 3.385 20 5 EGBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](CC3CC(F)(F)C3)CC2)cc1 ZINC000294830402 308262038 /nfs/dbraw/zinc/26/20/38/308262038.db2.gz ANMXLSARBAGFIG-UHFFFAOYSA-N 1 0 326.343 3.483 20 5 EGBDRO C[C@H]([NH2+]CCc1nc2c(s1)CCCC2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294965723 308276923 /nfs/dbraw/zinc/27/69/23/308276923.db2.gz ZDJBPHFKACHDAP-NSHDSACASA-N 1 0 346.456 3.406 20 5 EGBDRO Cc1ccccc1[C@@H]([NH3+])C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000295146025 308296641 /nfs/dbraw/zinc/29/66/41/308296641.db2.gz JEPKJSBTZTWCPT-GOSISDBHSA-N 1 0 341.411 3.042 20 5 EGBDRO CC(C)C[C@@H]([NH3+])c1noc(-c2ccc(OC(F)F)c([N+](=O)[O-])c2)n1 ZINC000414612212 309091492 /nfs/dbraw/zinc/09/14/92/309091492.db2.gz DBWUHVBMHNEUPY-SECBINFHSA-N 1 0 342.302 3.292 20 5 EGBDRO CC[C@H]([NH2+]Cc1cccc(S(C)(=O)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000295792713 308360119 /nfs/dbraw/zinc/36/01/19/308360119.db2.gz SFVYYECEXXCNDF-KRWDZBQOSA-N 1 0 348.424 3.239 20 5 EGBDRO C[NH2+]CCN(C)Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000414658898 309094110 /nfs/dbraw/zinc/09/41/10/309094110.db2.gz KJTRTVVMUZDDOP-UHFFFAOYSA-N 1 0 328.416 3.014 20 5 EGBDRO CC[C@H](C)[NH+]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000296658212 308452828 /nfs/dbraw/zinc/45/28/28/308452828.db2.gz GCJZYMRLWYNIPR-NSHDSACASA-N 1 0 340.811 3.196 20 5 EGBDRO CC[C@@H](C)[NH+]1CCN(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000296743651 308462512 /nfs/dbraw/zinc/46/25/12/308462512.db2.gz XSEXPQWPFQWBJT-CYBMUJFWSA-N 1 0 334.420 3.160 20 5 EGBDRO CC[C@@H](C)[NH+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000297522654 308542085 /nfs/dbraw/zinc/54/20/85/308542085.db2.gz SEWHUYAFNLKSOB-LLVKDONJSA-N 1 0 340.811 3.196 20 5 EGBDRO O=[N+]([O-])c1cc(CNC[C@H]2CCC[NH2+]2)ccc1Oc1ccc(F)cc1 ZINC000414820053 309103598 /nfs/dbraw/zinc/10/35/98/309103598.db2.gz ABVBLOAXTPBEKA-OAHLLOKOSA-N 1 0 345.374 3.368 20 5 EGBDRO [NH3+]C[C@H]1CCCC[C@@H]1NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000414811426 309103085 /nfs/dbraw/zinc/10/30/85/309103085.db2.gz WGKRJOMZQSBBGA-CJNGLKHVSA-N 1 0 346.456 3.325 20 5 EGBDRO C[C@H]([NH2+]CC(=O)N1CCC[C@@H]2CCCC[C@H]21)c1cccc([N+](=O)[O-])c1 ZINC000299733964 308686135 /nfs/dbraw/zinc/68/61/35/308686135.db2.gz ZEDGTVAGYRWVMQ-RLFYNMQTSA-N 1 0 345.443 3.427 20 5 EGBDRO COc1ccccc1[C@H](CNc1ncc([N+](=O)[O-])cc1C)[NH+](C)C ZINC000301192618 308691489 /nfs/dbraw/zinc/69/14/89/308691489.db2.gz MYULSQGANORIFF-HNNXBMFYSA-N 1 0 330.388 3.022 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CC3CC3)CC2)nc1-c1ccccc1 ZINC000301840336 308717810 /nfs/dbraw/zinc/71/78/10/308717810.db2.gz ANEVXFCZHKABAU-UHFFFAOYSA-N 1 0 338.411 3.189 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2COc3ccccc3O2)cc1[N+](=O)[O-] ZINC000324180309 308769037 /nfs/dbraw/zinc/76/90/37/308769037.db2.gz PQKTZUGWUGTDDX-ZFWWWQNUSA-N 1 0 328.368 3.394 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](CC(C)C)N2CCOCC2)cc1[N+](=O)[O-] ZINC000327296907 308771323 /nfs/dbraw/zinc/77/13/23/308771323.db2.gz LRGBLUCOMITATL-FUHWJXTLSA-N 1 0 349.475 3.301 20 5 EGBDRO C[C@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CCC[NH2+]C1 ZINC000414848298 309105340 /nfs/dbraw/zinc/10/53/40/309105340.db2.gz GKYDKSXXDAHRPJ-GXTWGEPZSA-N 1 0 346.456 3.196 20 5 EGBDRO C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)c1nccs1 ZINC000331390525 308805642 /nfs/dbraw/zinc/80/56/42/308805642.db2.gz ANBOIWZXNGDPEU-UPJWGTAASA-N 1 0 335.433 3.125 20 5 EGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(C(=O)N2CCCCC2)CC1 ZINC000332210285 308830409 /nfs/dbraw/zinc/83/04/09/308830409.db2.gz UTLRJDHHDUHUJA-HNNXBMFYSA-N 1 0 345.443 3.380 20 5 EGBDRO CC(C)[NH+]1CCN(CCCSCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000413005734 309011783 /nfs/dbraw/zinc/01/17/83/309011783.db2.gz ZTFTVBQOYOWPIG-UHFFFAOYSA-N 1 0 337.489 3.244 20 5 EGBDRO C[NH+]1CCC([C@H]2CCN(c3nccc4ccc([N+](=O)[O-])cc43)C2)CC1 ZINC000413208478 309021556 /nfs/dbraw/zinc/02/15/56/309021556.db2.gz STCXKZWLUFOWFF-INIZCTEOSA-N 1 0 340.427 3.311 20 5 EGBDRO CSC1(CNc2nccc3ccc([N+](=O)[O-])cc32)CC[NH+](C)CC1 ZINC000413317213 309026542 /nfs/dbraw/zinc/02/65/42/309026542.db2.gz YIGOFLSQCHKWGW-UHFFFAOYSA-N 1 0 346.456 3.382 20 5 EGBDRO C[N@@H+]1CCC[C@H](CCNc2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000413435341 309031984 /nfs/dbraw/zinc/03/19/84/309031984.db2.gz HGJSBKAWWBKVJA-SNVBAGLBSA-N 1 0 332.326 3.152 20 5 EGBDRO [NH3+][C@@H](CNCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C1CC1 ZINC000414882740 309107109 /nfs/dbraw/zinc/10/71/09/309107109.db2.gz CGYLTNLSLNYYRQ-HNNXBMFYSA-N 1 0 335.791 3.335 20 5 EGBDRO CC1(C)C[NH2+]CC[C@@H]1NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000414977848 309112528 /nfs/dbraw/zinc/11/25/28/309112528.db2.gz SFRHUPYJFCGNPN-KRWDZBQOSA-N 1 0 329.400 3.333 20 5 EGBDRO COc1ccc(-c2ccc(CN[C@@H]3CC[NH2+]C3(C)C)o2)c([N+](=O)[O-])c1 ZINC000415035374 309115579 /nfs/dbraw/zinc/11/55/79/309115579.db2.gz IRBNYWDTSQJWAR-QGZVFWFLSA-N 1 0 345.399 3.094 20 5 EGBDRO [NH3+][C@@H]1CN(C/C=C\c2ccccc2[N+](=O)[O-])C[C@H]1c1ccccc1F ZINC000415131144 309122684 /nfs/dbraw/zinc/12/26/84/309122684.db2.gz YJCXBZPWFQPFNV-AFZMMIJPSA-N 1 0 341.386 3.174 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000415481955 309134732 /nfs/dbraw/zinc/13/47/32/309134732.db2.gz JSQKWQMBZXNMTH-HDJSIYSDSA-N 1 0 334.420 3.098 20 5 EGBDRO CCCN(C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C)C1CC[NH2+]CC1 ZINC000415572896 309137201 /nfs/dbraw/zinc/13/72/01/309137201.db2.gz BOYUOSFLMQDHSA-UHFFFAOYSA-N 1 0 334.420 3.208 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000415571508 309137253 /nfs/dbraw/zinc/13/72/53/309137253.db2.gz ACARVOVKBWMIMP-HNNXBMFYSA-N 1 0 334.420 3.241 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000415761883 309143326 /nfs/dbraw/zinc/14/33/26/309143326.db2.gz MGBWYWNBZQLXNM-GJZGRUSLSA-N 1 0 346.431 3.011 20 5 EGBDRO CCCN(C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000417818217 309223838 /nfs/dbraw/zinc/22/38/38/309223838.db2.gz ATBXEVJMAHVVLT-AWEZNQCLSA-N 1 0 348.447 3.138 20 5 EGBDRO C[C@H](NC(=O)N(CCC[NH3+])CC1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000418237635 309240511 /nfs/dbraw/zinc/24/05/11/309240511.db2.gz VZGGJMWHEPLUQY-AWEZNQCLSA-N 1 0 348.447 3.206 20 5 EGBDRO CN(C[C@H]1CCC[N@@H+]1C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000420632112 309290909 /nfs/dbraw/zinc/29/09/09/309290909.db2.gz HNRSTXPZGJOPFY-CQSZACIVSA-N 1 0 332.429 3.249 20 5 EGBDRO CC[C@H]1C[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@H](CC)O1 ZINC000420959224 309304511 /nfs/dbraw/zinc/30/45/11/309304511.db2.gz PYRIZIYCDUVMER-HOTGVXAUSA-N 1 0 349.431 3.121 20 5 EGBDRO COC1([C@@H](C)[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])CCOCC1 ZINC000421404700 309323280 /nfs/dbraw/zinc/32/32/80/309323280.db2.gz PYHRVNQKMGTXNZ-HUUCEWRRSA-N 1 0 336.432 3.090 20 5 EGBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000421704866 309335757 /nfs/dbraw/zinc/33/57/57/309335757.db2.gz PZMMXHXJYDTVLR-CQSZACIVSA-N 1 0 333.432 3.059 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000421752002 309338412 /nfs/dbraw/zinc/33/84/12/309338412.db2.gz PGZIELRNUDBZSG-CQSZACIVSA-N 1 0 347.459 3.454 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000421754093 309338500 /nfs/dbraw/zinc/33/85/00/309338500.db2.gz AKOMPXIGUCVRHD-OAHLLOKOSA-N 1 0 333.432 3.062 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000421799610 309340566 /nfs/dbraw/zinc/34/05/66/309340566.db2.gz FGCHDGAYUNBBJB-OAHLLOKOSA-N 1 0 333.432 3.206 20 5 EGBDRO [NH3+][C@@H]1CCCCC[C@@H]1NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000423091488 309385424 /nfs/dbraw/zinc/38/54/24/309385424.db2.gz XFHHUJVWSFKHAS-KGLIPLIRSA-N 1 0 331.338 3.363 20 5 EGBDRO CCc1ccc([C@H](N[C@H]2CCC[NH2+]C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000423196438 309390187 /nfs/dbraw/zinc/39/01/87/309390187.db2.gz VJDVCWMQZDJFML-KBXCAEBGSA-N 1 0 329.400 3.181 20 5 EGBDRO CC(C)c1ccc(C(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000424056726 309427629 /nfs/dbraw/zinc/42/76/29/309427629.db2.gz CEXCFGQGSIGBQG-YDHLFZDLSA-N 1 0 333.432 3.164 20 5 EGBDRO O=C1CCC[C@H](C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)N1 ZINC000433194972 309681645 /nfs/dbraw/zinc/68/16/45/309681645.db2.gz PLHMFENGTXJMMK-CYBMUJFWSA-N 1 0 345.424 3.082 20 5 EGBDRO CC1(C)C[C@H]([NH2+]CCCOC[C@@H]2CCOC2)c2cc([N+](=O)[O-])ccc21 ZINC000433267573 309684220 /nfs/dbraw/zinc/68/42/20/309684220.db2.gz GIAZSNJUUJVKHH-KSSFIOAISA-N 1 0 348.443 3.350 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2nc(CN3C[C@H]4CCC[C@@H](C3)[NH2+]4)cs2)c1 ZINC000437996978 309804739 /nfs/dbraw/zinc/80/47/39/309804739.db2.gz CJJQINMTPCRGJD-OKILXGFUSA-N 1 0 344.440 3.045 20 5 EGBDRO Cc1ccc(OCC[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000447508102 309980143 /nfs/dbraw/zinc/98/01/43/309980143.db2.gz BKGZJUSADILDMX-IRXDYDNUSA-N 1 0 344.415 3.252 20 5 EGBDRO COc1cccc(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000447512108 309980268 /nfs/dbraw/zinc/98/02/68/309980268.db2.gz XCNDBKBJSHJDAA-CVEARBPZSA-N 1 0 330.388 3.073 20 5 EGBDRO Cc1ccccc1CC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447513475 309980280 /nfs/dbraw/zinc/98/02/80/309980280.db2.gz WPOSJXPACLXUPH-DLBZAZTESA-N 1 0 328.416 3.416 20 5 EGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCN(C)Cc1ccccc1 ZINC000449088667 310036256 /nfs/dbraw/zinc/03/62/56/310036256.db2.gz BPIUGDQCEQSLNL-MRXNPFEDSA-N 1 0 327.428 3.247 20 5 EGBDRO CO[C@H](C)c1nc(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])cs1 ZINC000449177186 310042456 /nfs/dbraw/zinc/04/24/56/310042456.db2.gz OUZBUYUHTSQQSI-VXGBXAGGSA-N 1 0 335.429 3.480 20 5 EGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCC[C@@H]1n1cccn1 ZINC000449180784 310042637 /nfs/dbraw/zinc/04/26/37/310042637.db2.gz CCMZPFCGSHCPAM-HFTRVMKXSA-N 1 0 328.416 3.496 20 5 EGBDRO Cc1ccc(C[C@H](CO)[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000449269725 310049034 /nfs/dbraw/zinc/04/90/34/310049034.db2.gz OAISXTYFCCCRDR-MAUKXSAKSA-N 1 0 328.412 3.027 20 5 EGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccnc(OC(F)F)c1 ZINC000449313113 310052508 /nfs/dbraw/zinc/05/25/08/310052508.db2.gz UTAHGJKSLTXUGU-LLVKDONJSA-N 1 0 337.326 3.312 20 5 EGBDRO COc1cc(C[NH2+]C[C@H]2CSc3ccccc32)c([N+](=O)[O-])cc1O ZINC000449361868 310056716 /nfs/dbraw/zinc/05/67/16/310056716.db2.gz JWLNEUPHVZCUNA-LBPRGKRZSA-N 1 0 346.408 3.288 20 5 EGBDRO COC(=O)c1coc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000449500843 310067244 /nfs/dbraw/zinc/06/72/44/310067244.db2.gz OFGJVVUSLTXCDC-AWEZNQCLSA-N 1 0 344.367 3.354 20 5 EGBDRO COc1ccc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC000449504873 310067539 /nfs/dbraw/zinc/06/75/39/310067539.db2.gz WLFRRGSXIXKUCQ-MRXNPFEDSA-N 1 0 327.384 3.378 20 5 EGBDRO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000449588660 310074178 /nfs/dbraw/zinc/07/41/78/310074178.db2.gz QOKQGEOYJCJNER-IMJJTQAJSA-N 1 0 334.416 3.237 20 5 EGBDRO [NH3+][C@H]1CCC[C@@H](CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000449643142 310076942 /nfs/dbraw/zinc/07/69/42/310076942.db2.gz YPLVDPJFFIYXBQ-PWSUYJOCSA-N 1 0 333.413 3.057 20 5 EGBDRO O=[N+]([O-])c1ccc(OC(F)F)c(CNc2ccc3c([nH+]2)CCC3)c1 ZINC000449662356 310078533 /nfs/dbraw/zinc/07/85/33/310078533.db2.gz FYOWTPZLPPTKFW-UHFFFAOYSA-N 1 0 335.310 3.114 20 5 EGBDRO O=[N+]([O-])c1cccc(C[NH2+]C2(Cc3ccccc3)CCOCC2)c1 ZINC000449711869 310082042 /nfs/dbraw/zinc/08/20/42/310082042.db2.gz FWMISUQGUFOYTB-UHFFFAOYSA-N 1 0 326.396 3.476 20 5 EGBDRO COCC1(C[NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000449743104 310083715 /nfs/dbraw/zinc/08/37/15/310083715.db2.gz USTQISSEKHYEQE-AWEZNQCLSA-N 1 0 349.431 3.108 20 5 EGBDRO CCOc1cc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)ccc1[N+](=O)[O-] ZINC000450870693 310146939 /nfs/dbraw/zinc/14/69/39/310146939.db2.gz ZLLAHIHPAPEDSE-QGTPRVQTSA-N 1 0 346.427 3.431 20 5 EGBDRO CC(C)[N@@H+]1CC[C@H](N(C)c2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000450957228 310152007 /nfs/dbraw/zinc/15/20/07/310152007.db2.gz UACHCQBZVJKVLI-LBPRGKRZSA-N 1 0 329.347 3.115 20 5 EGBDRO COc1cc(C[NH2+][C@@H](C(C)C)[C@@H](CO)C(C)C)c([N+](=O)[O-])cc1F ZINC000451591428 310188136 /nfs/dbraw/zinc/18/81/36/310188136.db2.gz DPGKITKGFJXKPZ-GUYCJALGSA-N 1 0 342.411 3.121 20 5 EGBDRO C[C@H](NC(=O)c1cccc(C[NH+](C)C)c1)c1ccc([N+](=O)[O-])cc1 ZINC000452184569 310217432 /nfs/dbraw/zinc/21/74/32/310217432.db2.gz UPYMVZMDZQLFLX-ZDUSSCGKSA-N 1 0 327.384 3.147 20 5 EGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000453295246 310269640 /nfs/dbraw/zinc/26/96/40/310269640.db2.gz XUUJPLVKSZVAOW-LSDHHAIUSA-N 1 0 347.459 3.139 20 5 EGBDRO Cc1c([C@H](C)[NH2+][C@H]2CCO[C@@H](c3ccnn3C)C2)cccc1[N+](=O)[O-] ZINC000453339237 310271863 /nfs/dbraw/zinc/27/18/63/310271863.db2.gz KNMZGRGSNIGTGK-SUNYJGFJSA-N 1 0 344.415 3.208 20 5 EGBDRO Cc1ccc(C[C@@H](CO)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1C ZINC000453426373 310276529 /nfs/dbraw/zinc/27/65/29/310276529.db2.gz HCDLEMQDNASIQB-QAPCUYQASA-N 1 0 328.412 3.466 20 5 EGBDRO CCC[C@H]([NH2+][C@H]1C[C@H]2CCCCN2C1=O)c1cccc([N+](=O)[O-])c1 ZINC000453433737 310276992 /nfs/dbraw/zinc/27/69/92/310276992.db2.gz KLQRVNPTEAYOKB-PVAVHDDUSA-N 1 0 331.416 3.179 20 5 EGBDRO CC1(C)C[C@H](C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CCO1 ZINC000453581448 310282909 /nfs/dbraw/zinc/28/29/09/310282909.db2.gz MKYXKZPDYORUPB-LLVKDONJSA-N 1 0 344.358 3.491 20 5 EGBDRO C[C@H](CNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC[C@@H]1C ZINC000454261497 310300103 /nfs/dbraw/zinc/30/01/03/310300103.db2.gz RDHZHCRVLKXXPA-ZNMIVQPWSA-N 1 0 348.447 3.218 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC(C)(C)CCC[NH+](C)C ZINC000454949891 310337093 /nfs/dbraw/zinc/33/70/93/310337093.db2.gz YAWJQOVWFRAJSL-UHFFFAOYSA-N 1 0 336.436 3.454 20 5 EGBDRO CNc1c(C(=O)Nc2ccc(C[NH+](C)C)c(C)c2)cccc1[N+](=O)[O-] ZINC000458263735 310495034 /nfs/dbraw/zinc/49/50/34/310495034.db2.gz LGVOAOVKYGBAEH-UHFFFAOYSA-N 1 0 342.399 3.259 20 5 EGBDRO CC[C@@H](C)[NH+]1CCN(C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000458520898 310507891 /nfs/dbraw/zinc/50/78/91/310507891.db2.gz UUKYPQAHRZJVAB-HUUCEWRRSA-N 1 0 348.447 3.090 20 5 EGBDRO CCC[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C1CCC1 ZINC000459792791 310575887 /nfs/dbraw/zinc/57/58/87/310575887.db2.gz JIYMLEOHRCZYMN-CQSZACIVSA-N 1 0 335.404 3.100 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCN(C)CC(F)(F)F ZINC000468629697 310691331 /nfs/dbraw/zinc/69/13/31/310691331.db2.gz VTAJMBGLNJQWDG-WQLSENKSSA-N 1 0 331.338 3.082 20 5 EGBDRO CCCNC(=O)C1CC[NH+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000470172248 310719178 /nfs/dbraw/zinc/71/91/78/310719178.db2.gz UFCATSNFPBOOHL-NTCAYCPXSA-N 1 0 345.443 3.236 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCOC(F)(F)F)o2)cc1 ZINC000473986735 310783020 /nfs/dbraw/zinc/78/30/20/310783020.db2.gz AYXGPWYCQQFZAX-UHFFFAOYSA-N 1 0 330.262 3.481 20 5 EGBDRO Cc1cccc(C(=O)NCC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000480908250 310902854 /nfs/dbraw/zinc/90/28/54/310902854.db2.gz FVSWNQSVNKWSIN-HNNXBMFYSA-N 1 0 341.411 3.292 20 5 EGBDRO C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000481123711 310906775 /nfs/dbraw/zinc/90/67/75/310906775.db2.gz QRNYFIWDORGHNL-BBRMVZONSA-N 1 0 345.443 3.288 20 5 EGBDRO CCN1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[C@@H](C)C1 ZINC000487208189 311016106 /nfs/dbraw/zinc/01/61/06/311016106.db2.gz HCVBLOAVAVZZTD-HZMBPMFUSA-N 1 0 331.338 3.043 20 5 EGBDRO COc1ccccc1N1CCN([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000487973863 311045619 /nfs/dbraw/zinc/04/56/19/311045619.db2.gz POCGPIJFPDCXAM-OAHLLOKOSA-N 1 0 341.411 3.487 20 5 EGBDRO CCC1CCC([N@H+](CCO)Cc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000488198458 311055596 /nfs/dbraw/zinc/05/55/96/311055596.db2.gz OVTDEXADQOGTGS-UHFFFAOYSA-N 1 0 336.432 3.367 20 5 EGBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000488758060 311078840 /nfs/dbraw/zinc/07/88/40/311078840.db2.gz AZUCYTUQKQJEMO-ZDUSSCGKSA-N 1 0 331.416 3.108 20 5 EGBDRO C[NH+](C)[C@@H](CNC(=O)/C=C\c1ccccc1[N+](=O)[O-])c1cccs1 ZINC000490608857 311146800 /nfs/dbraw/zinc/14/68/00/311146800.db2.gz ZVRGMTVSTJLZJJ-KVPUOBJLSA-N 1 0 345.424 3.089 20 5 EGBDRO COCC1(C[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000491593297 311186115 /nfs/dbraw/zinc/18/61/15/311186115.db2.gz FABKDIUMUAFRQZ-GDNBJRDFSA-N 1 0 334.416 3.031 20 5 EGBDRO CCOc1cc(C[NH2+][C@H](CCO)C2CCCCC2)ccc1[N+](=O)[O-] ZINC000492605329 311270700 /nfs/dbraw/zinc/27/07/00/311270700.db2.gz HKXBLDUSRAFNIY-MRXNPFEDSA-N 1 0 336.432 3.414 20 5 EGBDRO CCOc1cc(CN(C)[C@@H]2CC[N@H+](CC)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000492630529 311273786 /nfs/dbraw/zinc/27/37/86/311273786.db2.gz NHUUOTMPRKVRKL-GOEBONIOSA-N 1 0 335.448 3.298 20 5 EGBDRO CCOc1cc(CN2CCC[C@H]2C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000492697654 311281515 /nfs/dbraw/zinc/28/15/15/311281515.db2.gz RYNMWHFGQQCIBS-INIZCTEOSA-N 1 0 333.432 3.054 20 5 EGBDRO C[C@H]([NH2+]Cc1cccc(N2CCOC2=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000493583393 311398678 /nfs/dbraw/zinc/39/86/78/311398678.db2.gz VHGNMDGHJQVOGW-ZDUSSCGKSA-N 1 0 341.367 3.402 20 5 EGBDRO O=[N+]([O-])c1ccccc1N1CC[NH+](Cc2cccc3cc[nH]c32)CC1 ZINC000505585126 312027253 /nfs/dbraw/zinc/02/72/53/312027253.db2.gz LJBUHZIRKYVBNV-UHFFFAOYSA-N 1 0 336.395 3.398 20 5 EGBDRO CCC1CCC([N@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000514103278 312225087 /nfs/dbraw/zinc/22/50/87/312225087.db2.gz BBNDZAVOFRBEBA-DQPZFDDXSA-N 1 0 336.432 3.235 20 5 EGBDRO CC[NH+]1CCC(CNC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000515267235 312274118 /nfs/dbraw/zinc/27/41/18/312274118.db2.gz JMCQTRWKJGBXLK-UHFFFAOYSA-N 1 0 333.432 3.180 20 5 EGBDRO CCC[NH+]1CCC(N(C)C(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000517270178 312372812 /nfs/dbraw/zinc/37/28/12/312372812.db2.gz GBKFPOCPZXNXIY-AWEZNQCLSA-N 1 0 333.432 3.031 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H](CC(C)C)N1CCOCC1 ZINC000531989185 313740356 /nfs/dbraw/zinc/74/03/56/313740356.db2.gz IFHPKGGMKIJLCZ-FUHWJXTLSA-N 1 0 349.475 3.301 20 5 EGBDRO C/C(=C\c1ccccc1)C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000536638019 314133276 /nfs/dbraw/zinc/13/32/76/314133276.db2.gz MKYQREPTXAYPCU-DTQAZKPQSA-N 1 0 338.411 3.215 20 5 EGBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC12CCC(CC1)C2 ZINC000540154781 314366239 /nfs/dbraw/zinc/36/62/39/314366239.db2.gz XCMUYCCRKFHSLD-WRSVWVKZSA-N 1 0 331.416 3.482 20 5 EGBDRO CCOC1(C[NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000550885414 315136461 /nfs/dbraw/zinc/13/64/61/315136461.db2.gz GRDRTZFBCZABRC-AWEZNQCLSA-N 1 0 349.431 3.251 20 5 EGBDRO CCCN(CC[NH+]1CCCC1)C(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000553398580 315261457 /nfs/dbraw/zinc/26/14/57/315261457.db2.gz HAJOBJCZHYMEKW-OAHLLOKOSA-N 1 0 333.432 3.033 20 5 EGBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1CCCSC1 ZINC000554359249 315312773 /nfs/dbraw/zinc/31/27/73/315312773.db2.gz PAKIBSLRYBEUKC-OLZOCXBDSA-N 1 0 337.445 3.045 20 5 EGBDRO C[C@@H]1CCC[C@]1(O)C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000563978779 316099955 /nfs/dbraw/zinc/09/99/55/316099955.db2.gz MRQSWAZKGKDQSK-ACJLOTCBSA-N 1 0 330.384 3.496 20 5 EGBDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000564720740 316194143 /nfs/dbraw/zinc/19/41/43/316194143.db2.gz MXIAXKBEPPGOGX-JKSUJKDBSA-N 1 0 347.459 3.183 20 5 EGBDRO CC(C)(C)c1ccc(C(=O)N2CCC(CC[NH3+])CC2)cc1[N+](=O)[O-] ZINC000565150886 316275417 /nfs/dbraw/zinc/27/54/17/316275417.db2.gz NOPUQLCSSXNLQX-UHFFFAOYSA-N 1 0 333.432 3.093 20 5 EGBDRO CN(C)C(=O)c1cccc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000565725150 316362598 /nfs/dbraw/zinc/36/25/98/316362598.db2.gz DDEHEGYDAQCHFJ-QGZVFWFLSA-N 1 0 339.395 3.074 20 5 EGBDRO C[C@@H]([NH3+])c1ccc(C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000567980520 316704419 /nfs/dbraw/zinc/70/44/19/316704419.db2.gz CNIKEOLWWGLEPE-CYBMUJFWSA-N 1 0 339.395 3.419 20 5 EGBDRO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCC[C@H]2[C@H]2CCCOC2)c(F)c1 ZINC000571556172 317216064 /nfs/dbraw/zinc/21/60/64/317216064.db2.gz JJIDEFXKZUOJMU-ZBEGNZNMSA-N 1 0 326.343 3.264 20 5 EGBDRO COc1ccc(-c2ccc(CN3CC[C@@H]([NH3+])C[C@H]3C)o2)c([N+](=O)[O-])c1 ZINC000571578017 317218892 /nfs/dbraw/zinc/21/88/92/317218892.db2.gz DCXXQXDGAUPFJW-CHWSQXEVSA-N 1 0 345.399 3.175 20 5 EGBDRO CCC[C@H]([NH2+][C@H]1CCN(C(C)(C)C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000571800317 317249306 /nfs/dbraw/zinc/24/93/06/317249306.db2.gz WYHCVMOIXJLDSI-HOTGVXAUSA-N 1 0 333.432 3.425 20 5 EGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCO[C@]2(CCSC2)C1 ZINC000571819768 317252116 /nfs/dbraw/zinc/25/21/16/317252116.db2.gz JUYBJMNEKTYZSC-ISTRZQFTSA-N 1 0 334.441 3.226 20 5 EGBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000572557920 317355524 /nfs/dbraw/zinc/35/55/24/317355524.db2.gz NBPNUDGFRIRUAW-GOSISDBHSA-N 1 0 345.443 3.051 20 5 EGBDRO O=C(CC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])Nc1ccccc1 ZINC000573457859 317488702 /nfs/dbraw/zinc/48/87/02/317488702.db2.gz HRJHARWVPAZOBV-MRXNPFEDSA-N 1 0 325.368 3.201 20 5 EGBDRO Cc1cccc(CC[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000574512244 317606446 /nfs/dbraw/zinc/60/64/46/317606446.db2.gz NLCPYHRQCXTELZ-UHFFFAOYSA-N 1 0 327.384 3.064 20 5 EGBDRO CN(Cc1c(F)cccc1[N+](=O)[O-])C[C@@H]1COc2ccccc2O1 ZINC000171614211 323242653 /nfs/dbraw/zinc/24/26/53/323242653.db2.gz YFGURJGYPMLRGQ-GFCCVEGCSA-N 1 0 332.331 3.006 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)N(C)[C@@H](C)CC(C)C)cc1[N+](=O)[O-] ZINC000181823934 323507304 /nfs/dbraw/zinc/50/73/04/323507304.db2.gz ANSCSSFVTLHJFU-LSDHHAIUSA-N 1 0 335.448 3.447 20 5 EGBDRO Cc1c(C[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2)cccc1[N+](=O)[O-] ZINC000181901729 323511958 /nfs/dbraw/zinc/51/19/58/323511958.db2.gz GOHRZBSKSWFBDR-AWEZNQCLSA-N 1 0 337.383 3.335 20 5 EGBDRO CCCC[C@H](C[NH3+])NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000418462276 324306510 /nfs/dbraw/zinc/30/65/10/324306510.db2.gz JZCHPFZRKTXUHZ-OAHLLOKOSA-N 1 0 336.436 3.032 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCCC[NH+]1CCC(C)CC1 ZINC000579652660 325139210 /nfs/dbraw/zinc/13/92/10/325139210.db2.gz NKLOTPKQHSXCLA-UHFFFAOYSA-N 1 0 348.447 3.401 20 5 EGBDRO C[C@@H]1CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@H]2CCCC[C@@H]12 ZINC000579818603 325162721 /nfs/dbraw/zinc/16/27/21/325162721.db2.gz MUNQJTBNJZJLKL-QZWWFDLISA-N 1 0 348.443 3.235 20 5 EGBDRO C[C@@](CO)(C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])Cc1ccccc1 ZINC000581143356 325334922 /nfs/dbraw/zinc/33/49/22/325334922.db2.gz UMAFQHOUQUAIPN-QUCCMNQESA-N 1 0 340.423 3.413 20 5 EGBDRO Cc1ccc(C[C@H](CO)[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000581260650 325347082 /nfs/dbraw/zinc/34/70/82/325347082.db2.gz KJIHCATWYJFLNP-CRAIPNDOSA-N 1 0 326.396 3.084 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@]2(O)CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000189617979 455223650 /nfs/dbraw/zinc/22/36/50/455223650.db2.gz WADHRADEPLHEQY-TZMCWYRMSA-N 1 0 332.322 3.168 20 5 EGBDRO C[C@@H]([NH2+][C@H](C)C1CCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000157734453 455225604 /nfs/dbraw/zinc/22/56/04/455225604.db2.gz OCCCWURLTXZYKW-NXEZZACHSA-N 1 0 325.796 3.353 20 5 EGBDRO Cn1cc(C[NH2+]Cc2cccc(F)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237933665 455235556 /nfs/dbraw/zinc/23/55/56/455235556.db2.gz DXUFZMRHYUSBFL-UHFFFAOYSA-N 1 0 340.358 3.424 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)c1 ZINC000173156161 455240529 /nfs/dbraw/zinc/24/05/29/455240529.db2.gz YPPBLXAXVBBKCL-QGZVFWFLSA-N 1 0 345.374 3.075 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCn3cccn3)s2)cc1 ZINC000237989288 455242181 /nfs/dbraw/zinc/24/21/81/455242181.db2.gz WXHULHJSUZYUMQ-UHFFFAOYSA-N 1 0 328.397 3.310 20 5 EGBDRO COc1ccccc1[C@@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000157968491 455254855 /nfs/dbraw/zinc/25/48/55/455254855.db2.gz XUBCZMPNRJEGAB-OAHLLOKOSA-N 1 0 342.395 3.472 20 5 EGBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC000612174812 460561428 /nfs/dbraw/zinc/56/14/28/460561428.db2.gz YKXSTKZFUGKKOD-INIZCTEOSA-N 1 0 346.358 3.266 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCC[C@H]4CCC[C@@H]43)n2)cc1 ZINC000173561939 455306141 /nfs/dbraw/zinc/30/61/41/455306141.db2.gz YPKXUQNICOGEDR-DOMZBBRYSA-N 1 0 328.372 3.409 20 5 EGBDRO CSc1ccc(C(=O)NCC[NH+](C(C)C)C(C)C)cc1[N+](=O)[O-] ZINC000008235620 453180928 /nfs/dbraw/zinc/18/09/28/453180928.db2.gz RMMCXYQYKYOJDD-UHFFFAOYSA-N 1 0 339.461 3.165 20 5 EGBDRO O=C(Nc1ccccc1)[C@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000012284639 453354658 /nfs/dbraw/zinc/35/46/58/453354658.db2.gz KHDODWRDJUPYDP-INIZCTEOSA-N 1 0 339.395 3.446 20 5 EGBDRO CC[NH+](CC)[C@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)CC(C)C ZINC000012742537 453396030 /nfs/dbraw/zinc/39/60/30/453396030.db2.gz ICZLYNQSXUJVIN-INIZCTEOSA-N 1 0 336.436 3.473 20 5 EGBDRO CC[NH+](CC)[C@@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)CC(C)C ZINC000012742534 453397151 /nfs/dbraw/zinc/39/71/51/453397151.db2.gz ICZLYNQSXUJVIN-MRXNPFEDSA-N 1 0 336.436 3.473 20 5 EGBDRO COc1ccc([C@@H](CNc2ccc([N+](=O)[O-])cn2)[NH+]2CCCC2)cc1 ZINC000012937632 453428068 /nfs/dbraw/zinc/42/80/68/453428068.db2.gz NEBLRUDRCQVCDE-QGZVFWFLSA-N 1 0 342.399 3.247 20 5 EGBDRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])s1 ZINC000015564657 453577088 /nfs/dbraw/zinc/57/70/88/453577088.db2.gz ZAUKJVJMQZOHJW-UHFFFAOYSA-N 1 0 345.424 3.051 20 5 EGBDRO COc1cccc(C[N@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000026221977 453794754 /nfs/dbraw/zinc/79/47/54/453794754.db2.gz VPQKYPFMSIQJLX-UHFFFAOYSA-N 1 0 343.383 3.064 20 5 EGBDRO COc1ccccc1C[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000026223453 453794880 /nfs/dbraw/zinc/79/48/80/453794880.db2.gz UTNKCHALNFAAMR-UHFFFAOYSA-N 1 0 343.383 3.064 20 5 EGBDRO COCC[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CCCC1 ZINC000026448173 453799483 /nfs/dbraw/zinc/79/94/83/453799483.db2.gz MCMFBTZPIPCZBC-UHFFFAOYSA-N 1 0 346.387 3.036 20 5 EGBDRO C[N@H+](Cc1ccc(C(=O)NC2CC2)cc1)Cc1cccc([N+](=O)[O-])c1 ZINC000027287172 453814641 /nfs/dbraw/zinc/81/46/41/453814641.db2.gz RYOZBUDSBFZZIG-UHFFFAOYSA-N 1 0 339.395 3.119 20 5 EGBDRO CCC[N@H+](Cc1ccccc1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000027348930 453815318 /nfs/dbraw/zinc/81/53/18/453815318.db2.gz QQARMPMVRNNKBT-UHFFFAOYSA-N 1 0 327.384 3.106 20 5 EGBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H]2c2cccs2)c1 ZINC000032769206 453889830 /nfs/dbraw/zinc/88/98/30/453889830.db2.gz PYLUDKBGKXIJMH-GOEBONIOSA-N 1 0 348.424 3.233 20 5 EGBDRO CC(C)C(=O)NC[C@H]1CCC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000075683306 453918637 /nfs/dbraw/zinc/91/86/37/453918637.db2.gz GDFALPNERSHIGN-LSDHHAIUSA-N 1 0 333.432 3.140 20 5 EGBDRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000054260440 453918902 /nfs/dbraw/zinc/91/89/02/453918902.db2.gz KVFNKHNAGMCYCM-KBPBESRZSA-N 1 0 333.432 3.081 20 5 EGBDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000054260439 453919213 /nfs/dbraw/zinc/91/92/13/453919213.db2.gz KVFNKHNAGMCYCM-OKILXGFUSA-N 1 0 333.432 3.081 20 5 EGBDRO CC(C)[N@H+](C)CC1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000083170673 453941428 /nfs/dbraw/zinc/94/14/28/453941428.db2.gz MTSDYQDIWFOBGX-UHFFFAOYSA-N 1 0 346.431 3.288 20 5 EGBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000075958011 453942726 /nfs/dbraw/zinc/94/27/26/453942726.db2.gz RSFKERVZRTZWKB-INIZCTEOSA-N 1 0 332.404 3.077 20 5 EGBDRO CC[N@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1ccc2c(c1)OCO2 ZINC000040105827 453947681 /nfs/dbraw/zinc/94/76/81/453947681.db2.gz OFQURHFBZLHFKO-UHFFFAOYSA-N 1 0 344.367 3.224 20 5 EGBDRO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000159665444 455394636 /nfs/dbraw/zinc/39/46/36/455394636.db2.gz NLXUJFZMVGYGII-BBRMVZONSA-N 1 0 347.415 3.197 20 5 EGBDRO C[NH+](C)CCc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000076158531 453973488 /nfs/dbraw/zinc/97/34/88/453973488.db2.gz KPRXLBWUODCMMS-UHFFFAOYSA-N 1 0 331.347 3.090 20 5 EGBDRO CC(C)(C)OC(=O)N1CCC([NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000041701534 453976330 /nfs/dbraw/zinc/97/63/30/453976330.db2.gz CNLRDICIRJUUMJ-UHFFFAOYSA-N 1 0 349.431 3.126 20 5 EGBDRO CC[NH+](CC)Cc1ccc(C(=O)NCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000055798507 454015901 /nfs/dbraw/zinc/01/59/01/454015901.db2.gz AAFKSDREHBQATP-UHFFFAOYSA-N 1 0 341.411 3.367 20 5 EGBDRO CCCC[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000068443393 454028279 /nfs/dbraw/zinc/02/82/79/454028279.db2.gz PPVZTYPFGQSCBI-UHFFFAOYSA-N 1 0 339.823 3.243 20 5 EGBDRO Cc1ccc(CNC(=O)[C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000056196601 454043665 /nfs/dbraw/zinc/04/36/65/454043665.db2.gz GWNABAZVRHEBFA-CABCVRRESA-N 1 0 341.411 3.259 20 5 EGBDRO CCC[C@@H]([NH2+]CCS(=O)(=O)C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000089627885 454170382 /nfs/dbraw/zinc/17/03/82/454170382.db2.gz QEBRVKYVLJLNET-OAHLLOKOSA-N 1 0 342.461 3.239 20 5 EGBDRO CC[NH+](CC)C[C@@H]1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000119251617 454181062 /nfs/dbraw/zinc/18/10/62/454181062.db2.gz LKZFFPRYEWARBR-ZDUSSCGKSA-N 1 0 325.840 3.412 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C(=O)N2CCCC2)C(C)C)cc1[N+](=O)[O-] ZINC000089723081 454183484 /nfs/dbraw/zinc/18/34/84/454183484.db2.gz QGLNZMKHDVZKLP-PBHICJAKSA-N 1 0 333.432 3.201 20 5 EGBDRO C[C@H]1CCC[N@H+](CCCCNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000045950994 454200420 /nfs/dbraw/zinc/20/04/20/454200420.db2.gz JSPNUJZZKWYGEW-AWEZNQCLSA-N 1 0 334.420 3.228 20 5 EGBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000058477183 454207374 /nfs/dbraw/zinc/20/73/74/454207374.db2.gz VUHMFFGTLINSAY-UHFFFAOYSA-N 1 0 345.443 3.323 20 5 EGBDRO COc1cccc([C@@H](CNc2ccc([N+](=O)[O-])cc2F)[NH+](C)C)c1 ZINC000046072856 454214665 /nfs/dbraw/zinc/21/46/65/454214665.db2.gz PLYHHMNMSSALMC-QGZVFWFLSA-N 1 0 333.363 3.457 20 5 EGBDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000058856391 454237885 /nfs/dbraw/zinc/23/78/85/454237885.db2.gz DXXOQQGEGUGTHI-ZDUSSCGKSA-N 1 0 344.415 3.070 20 5 EGBDRO CNC(=O)C(C)(C)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000120106152 454259231 /nfs/dbraw/zinc/25/92/31/454259231.db2.gz VNBIGPXBRXGTHE-UHFFFAOYSA-N 1 0 347.440 3.185 20 5 EGBDRO Cc1cnc(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000078662482 454294745 /nfs/dbraw/zinc/29/47/45/454294745.db2.gz YPUZSCXFIWSHNY-OAHLLOKOSA-N 1 0 326.400 3.009 20 5 EGBDRO C[C@H](NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000090526152 454317473 /nfs/dbraw/zinc/31/74/73/454317473.db2.gz KBYKQOOFDKNBNA-JVPBZIDWSA-N 1 0 347.459 3.013 20 5 EGBDRO CC[C@H](NC(=O)N1CC[N@H+](C)C[C@@H]1C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000090684911 454335396 /nfs/dbraw/zinc/33/53/96/454335396.db2.gz OGRVVNFGVQSRIQ-DLBZAZTESA-N 1 0 348.447 3.028 20 5 EGBDRO C[C@@H]1CC[C@@H](C)[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000072897204 454360130 /nfs/dbraw/zinc/36/01/30/454360130.db2.gz DSWJCOCTNAKBQJ-CHWSQXEVSA-N 1 0 333.388 3.013 20 5 EGBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C1CC[NH+](C(C)C)CC1 ZINC000073046317 454387128 /nfs/dbraw/zinc/38/71/28/454387128.db2.gz YFIXMKVUSLBZCA-UHFFFAOYSA-N 1 0 347.459 3.452 20 5 EGBDRO CC[N@@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000133259414 454405377 /nfs/dbraw/zinc/40/53/77/454405377.db2.gz XPXMIGKMJINANN-NSHDSACASA-N 1 0 329.347 3.340 20 5 EGBDRO C[C@H]1CCCN(C(=O)C2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)C1 ZINC000048046615 454436035 /nfs/dbraw/zinc/43/60/35/454436035.db2.gz YJEHTDDUUPJRQU-HNNXBMFYSA-N 1 0 345.443 3.065 20 5 EGBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)NC1CC[NH+](C2CCCC2)CC1 ZINC000133682595 454454317 /nfs/dbraw/zinc/45/43/17/454454317.db2.gz GYMNQFHVFGTDDN-UHFFFAOYSA-N 1 0 332.404 3.123 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)CC1CCCC1 ZINC000064020642 454463398 /nfs/dbraw/zinc/46/33/98/454463398.db2.gz VNFOUIPECVLCFI-UHFFFAOYSA-N 1 0 335.404 3.054 20 5 EGBDRO COc1ccc(CN(C)Cc2nc3ccccc3o2)cc1[N+](=O)[O-] ZINC000102411003 454503925 /nfs/dbraw/zinc/50/39/25/454503925.db2.gz QZNOHNIWCTZXBG-UHFFFAOYSA-N 1 0 327.340 3.377 20 5 EGBDRO NC(=O)c1ccc(C[NH+]2CCC3(CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000102410830 454504018 /nfs/dbraw/zinc/50/40/18/454504018.db2.gz PVKAOYOSTGPQPE-UHFFFAOYSA-N 1 0 331.416 3.240 20 5 EGBDRO Cc1cc(NC(=O)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)no1 ZINC000065512338 454580883 /nfs/dbraw/zinc/58/08/83/454580883.db2.gz OQBQXUMXWKUWJH-UHFFFAOYSA-N 1 0 346.387 3.130 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCC[C@@H]([NH+]3CCCC3)C2)cc1OC(F)F ZINC000092612291 454594734 /nfs/dbraw/zinc/59/47/34/454594734.db2.gz FNPCGUUIJWRASI-CYBMUJFWSA-N 1 0 341.358 3.261 20 5 EGBDRO Cc1cc(N2CCN(c3cc[nH+]cc3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000080537936 454596077 /nfs/dbraw/zinc/59/60/77/454596077.db2.gz XTFKAIXKHAZXRH-UHFFFAOYSA-N 1 0 332.791 3.278 20 5 EGBDRO CCOc1cc(N2CC[C@@H](C[NH+]3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000092657733 454602470 /nfs/dbraw/zinc/60/24/70/454602470.db2.gz IRKQYMRPUQHOFU-HNNXBMFYSA-N 1 0 333.432 3.306 20 5 EGBDRO CCCC(=O)NC[C@@H]1CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000092707524 454616004 /nfs/dbraw/zinc/61/60/04/454616004.db2.gz PHMDXSNJFQWDGE-DHINHOHASA-N 1 0 345.443 3.236 20 5 EGBDRO C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000123279208 454621418 /nfs/dbraw/zinc/62/14/18/454621418.db2.gz DEKZQUNNRQXLGP-HNNXBMFYSA-N 1 0 341.411 3.169 20 5 EGBDRO O=C(CC[N@@H+]1CC[C@H](c2ccccc2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000123347665 454627703 /nfs/dbraw/zinc/62/77/03/454627703.db2.gz AGMRXPIGSQRJAY-INIZCTEOSA-N 1 0 339.395 3.413 20 5 EGBDRO C[C@@H]([NH2+][C@H]1CCN(C(=O)C2CCCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000123742269 454670724 /nfs/dbraw/zinc/67/07/24/454670724.db2.gz PUABWFAUTZVNDQ-PBHICJAKSA-N 1 0 345.443 3.427 20 5 EGBDRO CSC[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000135439481 454677857 /nfs/dbraw/zinc/67/78/57/454677857.db2.gz JUFMTDBNIVPNDZ-CQSZACIVSA-N 1 0 337.445 3.059 20 5 EGBDRO CC[C@@H](CCO)[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000123829213 454679886 /nfs/dbraw/zinc/67/98/86/454679886.db2.gz URQQXIXPGREALL-LBPRGKRZSA-N 1 0 334.372 3.114 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(N2CCC[C@H](C[NH+]3CCCCCC3)C2)n1 ZINC000124451465 454734219 /nfs/dbraw/zinc/73/42/19/454734219.db2.gz MUZXILPZGHPCFN-MRXNPFEDSA-N 1 0 332.448 3.391 20 5 EGBDRO CCOC(=O)CC[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000162106886 454752144 /nfs/dbraw/zinc/75/21/44/454752144.db2.gz GOJQHEZDCXSCLZ-ZDUSSCGKSA-N 1 0 338.379 3.289 20 5 EGBDRO C[C@@H](CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000136689373 454753194 /nfs/dbraw/zinc/75/31/94/454753194.db2.gz XJXOVVFKUZIRSS-LBPRGKRZSA-N 1 0 339.823 3.098 20 5 EGBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H](C)Cn2ccnc2C)cc1[N+](=O)[O-] ZINC000153585725 454809341 /nfs/dbraw/zinc/80/93/41/454809341.db2.gz NVAFWUCMSOVRLQ-ZIAGYGMSSA-N 1 0 346.431 3.485 20 5 EGBDRO Cc1c([C@@H](C)[NH2+]C[C@@H]2CCN(CC(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000163143608 454825969 /nfs/dbraw/zinc/82/59/69/454825969.db2.gz DPVUKNKLKPQGOR-OLZOCXBDSA-N 1 0 345.365 3.438 20 5 EGBDRO CC[NH+](CC)C[C@H]1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000154069364 454863164 /nfs/dbraw/zinc/86/31/64/454863164.db2.gz APENQQPSLAYEIX-CQSZACIVSA-N 1 0 325.840 3.412 20 5 EGBDRO C[NH+](C)C1(CNc2ncc([N+](=O)[O-])cc2Br)CCCC1 ZINC000147966371 454867253 /nfs/dbraw/zinc/86/72/53/454867253.db2.gz BQYWUOXOCIJZRT-UHFFFAOYSA-N 1 0 343.225 3.039 20 5 EGBDRO COc1ccc(-c2ccc(C[NH+]3CCSCC3)o2)c([N+](=O)[O-])c1 ZINC000126202473 454877875 /nfs/dbraw/zinc/87/78/75/454877875.db2.gz UYQBHNPECZHTBO-UHFFFAOYSA-N 1 0 334.397 3.412 20 5 EGBDRO C[C@@H]([NH2+][C@H]1CCN(C(=O)C2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000126761467 454917279 /nfs/dbraw/zinc/91/72/79/454917279.db2.gz QJKQIEMDWZHTRK-CJNGLKHVSA-N 1 0 331.416 3.037 20 5 EGBDRO Cc1ccc(NC(=O)CC[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)nc1 ZINC000167154040 454918598 /nfs/dbraw/zinc/91/85/98/454918598.db2.gz DZCSFNLKWDFYFS-AWEZNQCLSA-N 1 0 342.399 3.286 20 5 EGBDRO CC[C@@H]([NH2+][C@H]1CCN(c2ncccc2F)C1)c1cccc([N+](=O)[O-])c1 ZINC000168198606 454925551 /nfs/dbraw/zinc/92/55/51/454925551.db2.gz KHKDWWCGXWFYAF-WMLDXEAASA-N 1 0 344.390 3.449 20 5 EGBDRO CC[NH+](CC)[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000127145317 454941136 /nfs/dbraw/zinc/94/11/36/454941136.db2.gz APHFPTKHNMNNGB-OAHLLOKOSA-N 1 0 346.387 3.392 20 5 EGBDRO Cc1c(C[N@@H+]2CC[C@H](CNC(=O)OC(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000170647416 454948832 /nfs/dbraw/zinc/94/88/32/454948832.db2.gz SAUFASGOPPRQAK-CQSZACIVSA-N 1 0 349.431 3.250 20 5 EGBDRO C[C@H]([NH2+][C@H]1CCN(c2ccccc2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000178654736 454966039 /nfs/dbraw/zinc/96/60/39/454966039.db2.gz CWQNMLOTSIUDTJ-GUYCJALGSA-N 1 0 325.368 3.051 20 5 EGBDRO CC(C)([NH2+]CCc1ccc([N+](=O)[O-])cc1)C(=O)NCC1CCCCC1 ZINC000155243089 454978926 /nfs/dbraw/zinc/97/89/26/454978926.db2.gz IONGREXXTUMDCX-UHFFFAOYSA-N 1 0 347.459 3.202 20 5 EGBDRO COc1ccccc1C[C@@H](C)[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000178864580 454985933 /nfs/dbraw/zinc/98/59/33/454985933.db2.gz OMUXPSXYUVKGAF-KDOFPFPSSA-N 1 0 344.411 3.200 20 5 EGBDRO C[N@@H+](Cc1ccccc1)C[C@H](O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000128861457 455088167 /nfs/dbraw/zinc/08/81/67/455088167.db2.gz NYAWVTJYXGCUSP-SFHVURJKSA-N 1 0 346.452 3.321 20 5 EGBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CC2(O)CCCCCC2)c1 ZINC000117947179 455096783 /nfs/dbraw/zinc/09/67/83/455096783.db2.gz IAJKDJCWYJGOQL-UHFFFAOYSA-N 1 0 344.358 3.371 20 5 EGBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H]2CCCC[C@H]2Cc2ccccc2)c1 ZINC000119119169 455127561 /nfs/dbraw/zinc/12/75/61/455127561.db2.gz PKZVZAPSUBADCE-FUHWJXTLSA-N 1 0 328.416 3.182 20 5 EGBDRO COc1cc(C[N@H+](C)CCC2CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000180284211 455154472 /nfs/dbraw/zinc/15/44/72/455154472.db2.gz JYHZVHMLTZTQAT-UHFFFAOYSA-N 1 0 344.358 3.479 20 5 EGBDRO C[C@@H]([NH2+]CC(=O)N(C1CC1)C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000180455154 455172691 /nfs/dbraw/zinc/17/26/91/455172691.db2.gz KIOAKNIFMKFWSU-CYBMUJFWSA-N 1 0 331.416 3.179 20 5 EGBDRO C[NH2+]CCN(C)C(=O)c1ccc(SCCC(C)C)c([N+](=O)[O-])c1 ZINC000237336299 455174322 /nfs/dbraw/zinc/17/43/22/455174322.db2.gz VZQSYPZYVMICHD-UHFFFAOYSA-N 1 0 339.461 3.024 20 5 EGBDRO COc1ccc(C[NH2+]C2CCN(c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000237358802 455177057 /nfs/dbraw/zinc/17/70/57/455177057.db2.gz YLUAKUDHWOEHIH-UHFFFAOYSA-N 1 0 341.411 3.362 20 5 EGBDRO Cc1cc(C)cc([C@@H](C)[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000182910399 455189799 /nfs/dbraw/zinc/18/97/99/455189799.db2.gz AOSGTASUKRLAHJ-QAPCUYQASA-N 1 0 344.411 3.302 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)CC(C)(C)CN1CCOCC1 ZINC000182925849 455192104 /nfs/dbraw/zinc/19/21/04/455192104.db2.gz WZSJGZCFLGSEGB-INIZCTEOSA-N 1 0 349.475 3.254 20 5 EGBDRO C[C@@H](O)[C@H]1CCCC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000264410861 455207331 /nfs/dbraw/zinc/20/73/31/455207331.db2.gz JLEFAEPFHXVJKA-CZUORRHYSA-N 1 0 345.399 3.028 20 5 EGBDRO C[C@@H]1C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@H]1c1ccccc1 ZINC000245424058 455294715 /nfs/dbraw/zinc/29/47/15/455294715.db2.gz JVRAAKCNCNOJBI-DKSSEZFCSA-N 1 0 342.395 3.028 20 5 EGBDRO C[C@H](CCNC(=O)c1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1ccccc1 ZINC000173602112 455315107 /nfs/dbraw/zinc/31/51/07/455315107.db2.gz QMJPBLFMWQYPNE-OAHLLOKOSA-N 1 0 341.411 3.235 20 5 EGBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H](C)N(C3CC3)C2)cc1[N+](=O)[O-] ZINC000245503494 455315380 /nfs/dbraw/zinc/31/53/80/455315380.db2.gz IDYUZBQOMZKJQI-VNHYZAJKSA-N 1 0 333.432 3.269 20 5 EGBDRO Cc1ccc(C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000181475971 455340022 /nfs/dbraw/zinc/34/00/22/455340022.db2.gz ITMNBNMLDJTJIH-GOEBONIOSA-N 1 0 345.443 3.286 20 5 EGBDRO CCc1ccc(C(=O)NC2CC[NH+](CC(C)C)CC2)cc1[N+](=O)[O-] ZINC000174138724 455363318 /nfs/dbraw/zinc/36/33/18/455363318.db2.gz AFBUNUMTRYTUGJ-UHFFFAOYSA-N 1 0 333.432 3.007 20 5 EGBDRO C[C@H](c1cc2ccccc2o1)[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000159688399 455395776 /nfs/dbraw/zinc/39/57/76/455395776.db2.gz HOQHUGPIHMPDTH-CYBMUJFWSA-N 1 0 341.367 3.196 20 5 EGBDRO C[C@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000265867826 455397000 /nfs/dbraw/zinc/39/70/00/455397000.db2.gz UTIXPCGKXGYXGR-XJKSGUPXSA-N 1 0 349.431 3.330 20 5 EGBDRO Cc1noc([C@@H]2CCCN(Cc3ccc([N+](=O)[O-])cc3Cl)C2)n1 ZINC000182082149 455430349 /nfs/dbraw/zinc/43/03/49/455430349.db2.gz XWRHKUJHDCTDPV-GFCCVEGCSA-N 1 0 336.779 3.319 20 5 EGBDRO CC(C)[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000182141951 455445526 /nfs/dbraw/zinc/44/55/26/455445526.db2.gz KETZFBCBKBPNPI-INIZCTEOSA-N 1 0 336.432 3.378 20 5 EGBDRO CS[C@@H]1CCCC[N@@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000246270754 455461180 /nfs/dbraw/zinc/46/11/80/455461180.db2.gz ADOYQPXRIRDMHY-CHWSQXEVSA-N 1 0 337.445 3.139 20 5 EGBDRO CSc1ccc(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000175793023 455498200 /nfs/dbraw/zinc/49/82/00/455498200.db2.gz UUONBRGFGZMFRC-LLVKDONJSA-N 1 0 339.461 3.023 20 5 EGBDRO C[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000185149701 455511156 /nfs/dbraw/zinc/51/11/56/455511156.db2.gz HNLXTNMHHLZOQJ-ZIAGYGMSSA-N 1 0 348.424 3.108 20 5 EGBDRO C[C@@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C[C@H]1CO ZINC000191724982 455513452 /nfs/dbraw/zinc/51/34/52/455513452.db2.gz GEWIPWDVTMAFGS-OCCSQVGLSA-N 1 0 332.425 3.384 20 5 EGBDRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3cc4ccccc4c4cccnc34)C[C@@H]12 ZINC000185188037 455517867 /nfs/dbraw/zinc/51/78/67/455517867.db2.gz MIBXCVADRFEGQU-NIKGAXFTSA-N 1 0 331.419 3.197 20 5 EGBDRO Cc1cnc([C@@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)C2CC2)s1 ZINC000185303242 455536897 /nfs/dbraw/zinc/53/68/97/455536897.db2.gz FEKABNZAHUOPGE-HNNXBMFYSA-N 1 0 333.413 3.479 20 5 EGBDRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000182698270 455571081 /nfs/dbraw/zinc/57/10/81/455571081.db2.gz AKZNMBZYJRRLDP-CHWSQXEVSA-N 1 0 349.431 3.489 20 5 EGBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2CCC[C@@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000247246099 455577854 /nfs/dbraw/zinc/57/78/54/455577854.db2.gz ZLQIERCXACOGDH-UKTARXLSSA-N 1 0 349.431 3.345 20 5 EGBDRO C[C@@H]([NH2+][C@@H](CCCO)c1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283842871 455602620 /nfs/dbraw/zinc/60/26/20/455602620.db2.gz AYJTTXOTYQUQLD-DYVFJYSZSA-N 1 0 329.400 3.341 20 5 EGBDRO CC(C)[C@@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CCO1 ZINC000271452775 455642906 /nfs/dbraw/zinc/64/29/06/455642906.db2.gz FBSIVBOQCGVVFL-WFASDCNBSA-N 1 0 344.358 3.489 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000277816718 455675757 /nfs/dbraw/zinc/67/57/57/455675757.db2.gz HIHJEOALDPVCAF-MRXNPFEDSA-N 1 0 333.432 3.144 20 5 EGBDRO O=C(CC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)N1CCCCCC1 ZINC000192787736 455693239 /nfs/dbraw/zinc/69/32/39/455693239.db2.gz AJKAVHDHBDDEGE-SFHVURJKSA-N 1 0 345.443 3.355 20 5 EGBDRO COc1ccc(NC(=O)CC[NH2+][C@H]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000192800486 455696030 /nfs/dbraw/zinc/69/60/30/455696030.db2.gz XSCHOTXCKWQFQN-JSGCOSHPSA-N 1 0 335.404 3.100 20 5 EGBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000248373580 455708330 /nfs/dbraw/zinc/70/83/30/455708330.db2.gz JWDBVEKXIAFROJ-SJORKVTESA-N 1 0 342.395 3.172 20 5 EGBDRO COC(=O)N1CCC([C@H](C)[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000186414561 455762821 /nfs/dbraw/zinc/76/28/21/455762821.db2.gz OQRDYFTVJXCVRU-UONOGXRCSA-N 1 0 349.431 3.421 20 5 EGBDRO C[C@@H]([NH2+]Cc1ccc(C(C)(C)O)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284949476 455767111 /nfs/dbraw/zinc/76/71/11/455767111.db2.gz FBDFMFBEMIDVPD-GFCCVEGCSA-N 1 0 329.400 3.255 20 5 EGBDRO CC(C)(C)[NH+]1CCC(Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1 ZINC000194103380 455801889 /nfs/dbraw/zinc/80/18/89/455801889.db2.gz YVIJKCKPYWJSBV-UHFFFAOYSA-N 1 0 346.431 3.154 20 5 EGBDRO Cn1ncc2c1CCC[C@H]2[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278287439 455806708 /nfs/dbraw/zinc/80/67/08/455806708.db2.gz QSPLSXODUNSVHM-IAGOWNOFSA-N 1 0 326.400 3.373 20 5 EGBDRO CCOC1CC2(C1)CC[N@H+](Cc1nc3cc([N+](=O)[O-])ccc3o1)C2 ZINC000285372731 455831924 /nfs/dbraw/zinc/83/19/24/455831924.db2.gz CBOIVWCCVCZWML-UHFFFAOYSA-N 1 0 331.372 3.127 20 5 EGBDRO C[N@H+](CCC(=O)Nc1ccccc1F)CCc1ccccc1[N+](=O)[O-] ZINC000285417504 455841095 /nfs/dbraw/zinc/84/10/95/455841095.db2.gz VJTAPFOYAVFKPM-UHFFFAOYSA-N 1 0 345.374 3.237 20 5 EGBDRO Cc1cccc(CC[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000280224977 455920469 /nfs/dbraw/zinc/92/04/69/455920469.db2.gz VAAMJSQEDAWPBA-SFHVURJKSA-N 1 0 325.412 3.452 20 5 EGBDRO C[C@@H]1C[C@H](c2ccccc2)[C@H](C)[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000296721391 456019438 /nfs/dbraw/zinc/01/94/38/456019438.db2.gz NNXCNJDHHGFRSO-VKJFTORMSA-N 1 0 341.411 3.023 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N(C)CCC[N@H+](C)Cc2ccco2)c1 ZINC000286363460 456033307 /nfs/dbraw/zinc/03/33/07/456033307.db2.gz BZGDDVLEAROUKH-UHFFFAOYSA-N 1 0 345.399 3.090 20 5 EGBDRO C[C@@H](NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)C1=CC[N@H+](C)CC1 ZINC000272676031 456035623 /nfs/dbraw/zinc/03/56/23/456035623.db2.gz JXMXEKKEQPYYBV-CYBMUJFWSA-N 1 0 345.443 3.273 20 5 EGBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000270938951 456071267 /nfs/dbraw/zinc/07/12/67/456071267.db2.gz NEIKCSUXVNOUJY-NSHDSACASA-N 1 0 339.823 3.051 20 5 EGBDRO Cc1cc(Cl)c(C(=O)N2CCC[C@@H]([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000296945420 456071977 /nfs/dbraw/zinc/07/19/77/456071977.db2.gz XQOUUSXDFRXXJQ-GFCCVEGCSA-N 1 0 339.823 3.113 20 5 EGBDRO C[NH+](C)CCCC1CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000270943504 456072448 /nfs/dbraw/zinc/07/24/48/456072448.db2.gz KENYWHANSVQYHH-UHFFFAOYSA-N 1 0 326.828 3.201 20 5 EGBDRO CC[N@H+](C)C[C@@H]1CCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000272824200 456080825 /nfs/dbraw/zinc/08/08/25/456080825.db2.gz JPVLATQNTXOUPF-AWEZNQCLSA-N 1 0 328.416 3.229 20 5 EGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCn1ccnc1C ZINC000271024142 456100617 /nfs/dbraw/zinc/10/06/17/456100617.db2.gz AWRHNHISTHGOJV-CQSZACIVSA-N 1 0 334.445 3.260 20 5 EGBDRO Cc1cc(NCC2CC[NH+](C)CC2)c(Br)cc1[N+](=O)[O-] ZINC000225814608 456105076 /nfs/dbraw/zinc/10/50/76/456105076.db2.gz BKAZUYWNLHKXIV-UHFFFAOYSA-N 1 0 342.237 3.419 20 5 EGBDRO COc1cc(NC[C@@H]2CC[N@H+](CC(C)C)C2)c(F)cc1[N+](=O)[O-] ZINC000271096004 456124840 /nfs/dbraw/zinc/12/48/40/456124840.db2.gz MUFBPMGOFZXGJP-LBPRGKRZSA-N 1 0 325.384 3.132 20 5 EGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCCn1ccnc1 ZINC000271115545 456130102 /nfs/dbraw/zinc/13/01/02/456130102.db2.gz IHGCDSVOOXVXPV-CQSZACIVSA-N 1 0 334.445 3.342 20 5 EGBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000301532276 456139468 /nfs/dbraw/zinc/13/94/68/456139468.db2.gz KMXALGNICZEJMZ-MRXNPFEDSA-N 1 0 332.448 3.391 20 5 EGBDRO C[C@H]1C[C@H](CC[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CCO1 ZINC000273084249 456172971 /nfs/dbraw/zinc/17/29/71/456172971.db2.gz RHSMBDNYHWZNQG-NWDGAFQWSA-N 1 0 344.358 3.491 20 5 EGBDRO Cc1nc(N[C@H]2CCC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000301653200 456176244 /nfs/dbraw/zinc/17/62/44/456176244.db2.gz QYVOMKZXOFBOLA-INIZCTEOSA-N 1 0 326.400 3.375 20 5 EGBDRO C[C@@H](CCNC(=O)c1cccc(Cl)c1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000273105233 456178982 /nfs/dbraw/zinc/17/89/82/456178982.db2.gz AAHKQBBOIJHZOH-LBPRGKRZSA-N 1 0 339.823 3.243 20 5 EGBDRO CCC1(CO)CCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000302092097 456285413 /nfs/dbraw/zinc/28/54/13/456285413.db2.gz QAQKDKDKFCIQTL-UHFFFAOYSA-N 1 0 329.400 3.440 20 5 EGBDRO CC(C)(C)[NH+]1CCC(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC000342876766 456289284 /nfs/dbraw/zinc/28/92/84/456289284.db2.gz AITBDTSVTPMGQJ-UHFFFAOYSA-N 1 0 344.415 3.069 20 5 EGBDRO C[C@@H]1CSC[C@H]1[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000352819134 456334515 /nfs/dbraw/zinc/33/45/15/456334515.db2.gz XDBXRWDRNKKOEE-BXUZGUMPSA-N 1 0 333.413 3.133 20 5 EGBDRO O=C(NCCCCC[NH+]1CCCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000601151381 460733238 /nfs/dbraw/zinc/73/32/38/460733238.db2.gz YDKLGHLJGWHPSD-UHFFFAOYSA-N 1 0 337.395 3.120 20 5 EGBDRO C[C@@H](CO)C[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000340446442 456467934 /nfs/dbraw/zinc/46/79/34/456467934.db2.gz OPEJLCSMIUOWFI-CQSZACIVSA-N 1 0 329.400 3.081 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000340494813 456492775 /nfs/dbraw/zinc/49/27/75/456492775.db2.gz ADJNFFFITGTZBS-HLLBOEOZSA-N 1 0 345.443 3.381 20 5 EGBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CC1CCC2(CC1)OCCO2 ZINC000282424135 456508499 /nfs/dbraw/zinc/50/84/99/456508499.db2.gz JPLILZLSFNMUQP-UHFFFAOYSA-N 1 0 334.416 3.002 20 5 EGBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000291059879 456513894 /nfs/dbraw/zinc/51/38/94/456513894.db2.gz XVZXQLDPUFIKGT-NSHDSACASA-N 1 0 327.812 3.098 20 5 EGBDRO C[N@H+]1CC=C(CNC(=O)c2cc3ccccc3c3cccnc23)CC1 ZINC000343311019 456521995 /nfs/dbraw/zinc/52/19/95/456521995.db2.gz YNCMTAAPKLUBLA-UHFFFAOYSA-N 1 0 331.419 3.380 20 5 EGBDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCN1C(=O)OC(C)(C)C ZINC000305877515 456564339 /nfs/dbraw/zinc/56/43/39/456564339.db2.gz OPEZLIBABBMHQE-HIFRSBDPSA-N 1 0 349.431 3.472 20 5 EGBDRO CC[C@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C1CCOCC1 ZINC000343377441 456572401 /nfs/dbraw/zinc/57/24/01/456572401.db2.gz ANPXSABYPPVTMM-INIZCTEOSA-N 1 0 349.431 3.027 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H]1CCO[C@@H]1c1cccnc1 ZINC000343383985 456577998 /nfs/dbraw/zinc/57/79/98/456577998.db2.gz AMWBGFZZBJIYQS-QUUOBAENSA-N 1 0 325.368 3.123 20 5 EGBDRO C[C@@H](CNC(=O)OC(C)(C)C)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000276924667 456622188 /nfs/dbraw/zinc/62/21/88/456622188.db2.gz LMOGNHQXCQZWED-XOVSCCBYSA-N 1 0 335.404 3.111 20 5 EGBDRO CCC[C@H]([NH2+][C@H]1CC(=O)N2CCCC[C@@H]12)c1cccc([N+](=O)[O-])c1 ZINC000338009996 456653878 /nfs/dbraw/zinc/65/38/78/456653878.db2.gz HGMPLFGGQGJCII-ULQDDVLXSA-N 1 0 331.416 3.179 20 5 EGBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCC(C)CC1 ZINC000299351878 456666003 /nfs/dbraw/zinc/66/60/03/456666003.db2.gz NBCXGPNXTTZJCU-GFCCVEGCSA-N 1 0 339.823 3.098 20 5 EGBDRO COc1ccc2c(c1)[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)CCO2 ZINC000324699264 456672151 /nfs/dbraw/zinc/67/21/51/456672151.db2.gz XLKIYKNYISBSDF-KRWDZBQOSA-N 1 0 328.368 3.259 20 5 EGBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CCc2ccc(O)cc2)c1 ZINC000299472813 456704919 /nfs/dbraw/zinc/70/49/19/456704919.db2.gz BEDXGXDAWHMRCS-UHFFFAOYSA-N 1 0 338.310 3.234 20 5 EGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)cc1F ZINC000283272430 456749778 /nfs/dbraw/zinc/74/97/78/456749778.db2.gz WSGHOQBZVLGEOC-ZDUSSCGKSA-N 1 0 345.378 3.109 20 5 EGBDRO CC[C@H]1CC[C@@H](C)[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000299725146 456773653 /nfs/dbraw/zinc/77/36/53/456773653.db2.gz UEVQWRVHMFTEOC-OLZOCXBDSA-N 1 0 335.404 3.195 20 5 EGBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C[C@H]1OCCc2ccccc21 ZINC000283545162 456799759 /nfs/dbraw/zinc/79/97/59/456799759.db2.gz MYAPHNDHLWYPAW-GOSISDBHSA-N 1 0 330.359 3.480 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@H](n2cccn2)C1 ZINC000292042751 456837652 /nfs/dbraw/zinc/83/76/52/456837652.db2.gz ZSQVBGQXASNWMV-INIZCTEOSA-N 1 0 330.388 3.026 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(NC[C@@H](c2ccccc2OC)[NH+](C)C)c1 ZINC000338637585 456847734 /nfs/dbraw/zinc/84/77/34/456847734.db2.gz NOIZZUZRXKTZQT-KRWDZBQOSA-N 1 0 345.399 3.327 20 5 EGBDRO COc1cc2c(cc1C[N@H+](C)CCc1cccc([N+](=O)[O-])c1)OCO2 ZINC000338957971 456877086 /nfs/dbraw/zinc/87/70/86/456877086.db2.gz MTGKCWUFYPFUCB-UHFFFAOYSA-N 1 0 344.367 3.007 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@H](O)Cc1ccccc1 ZINC000353749499 456887836 /nfs/dbraw/zinc/88/78/36/456887836.db2.gz LIQMGGBUGUQPLZ-GOSISDBHSA-N 1 0 344.411 3.029 20 5 EGBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000339096943 456939588 /nfs/dbraw/zinc/93/95/88/456939588.db2.gz MFQHUJDYPRKYPU-HZSPNIEDSA-N 1 0 334.420 3.083 20 5 EGBDRO C[C@@H](CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)[N@@H+]1CCCC[C@@H]1C ZINC000349373297 456956280 /nfs/dbraw/zinc/95/62/80/456956280.db2.gz ONIKLFIHZHADFJ-STQMWFEESA-N 1 0 344.415 3.069 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[N@@H+](Cc1ccccc1)CC1(CO)CC1 ZINC000341974632 457036068 /nfs/dbraw/zinc/03/60/68/457036068.db2.gz RFKNYIIJASUPJG-UHFFFAOYSA-N 1 0 326.396 3.370 20 5 EGBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H](Cc1ccccc1)c1ccccc1 ZINC000356784618 457166040 /nfs/dbraw/zinc/16/60/40/457166040.db2.gz BTLPOBSZDOAZIW-KRWDZBQOSA-N 1 0 336.395 3.402 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000331425627 457183263 /nfs/dbraw/zinc/18/32/63/457183263.db2.gz QWMSPTKBTCWJTR-RHSMWYFYSA-N 1 0 346.431 3.289 20 5 EGBDRO C[NH+](C)[C@]1(CNc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CCSC1 ZINC000339677550 457207363 /nfs/dbraw/zinc/20/73/63/457207363.db2.gz OCCVKZNLXIFOJN-ZDUSSCGKSA-N 1 0 349.378 3.463 20 5 EGBDRO Cc1ccc(C[NH2+]C[C@@H](CO)c2ccccc2Cl)cc1[N+](=O)[O-] ZINC000342283111 457210806 /nfs/dbraw/zinc/21/08/06/457210806.db2.gz PNPAZYYEKKXCQW-AWEZNQCLSA-N 1 0 334.803 3.422 20 5 EGBDRO CCN(CC[NH+]1CCCCCC1)C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000331924560 457274044 /nfs/dbraw/zinc/27/40/44/457274044.db2.gz COQRUICCXJHWEL-UHFFFAOYSA-N 1 0 333.432 3.241 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1[C@H](C)C[C@@H]2CCCC[C@H]21 ZINC000332064328 457297782 /nfs/dbraw/zinc/29/77/82/457297782.db2.gz RWMLDGNSHAQTKP-QLFBSQMISA-N 1 0 331.416 3.495 20 5 EGBDRO COc1cc(C)ccc1C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000351525415 457302091 /nfs/dbraw/zinc/30/20/91/457302091.db2.gz RUGNHKYKLMNWFO-JKSUJKDBSA-N 1 0 344.415 3.382 20 5 EGBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@@H](c2cccs2)C2CC2)c1 ZINC000342486467 457330852 /nfs/dbraw/zinc/33/08/52/457330852.db2.gz ZCWQNSIYYYGEPS-WMLDXEAASA-N 1 0 348.424 3.137 20 5 EGBDRO O=C(NCC[N@H+]1CC=CCC1)c1cc2ccccc2c2cccnc12 ZINC000355363282 457364971 /nfs/dbraw/zinc/36/49/71/457364971.db2.gz HFLXXWLFRMUDMG-UHFFFAOYSA-N 1 0 331.419 3.380 20 5 EGBDRO C[C@]1([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCCOC1 ZINC000357341076 457458970 /nfs/dbraw/zinc/45/89/70/457458970.db2.gz CBOBSTYTAITHER-INIZCTEOSA-N 1 0 333.413 3.377 20 5 EGBDRO COC[C@@H]1CCCC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000369949653 457473560 /nfs/dbraw/zinc/47/35/60/457473560.db2.gz YXJKNNANEGVMAO-CQSZACIVSA-N 1 0 345.399 3.498 20 5 EGBDRO CCC[C@@H]([NH2+]C(C)C)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000356135012 457477781 /nfs/dbraw/zinc/47/77/81/457477781.db2.gz WFRKTTNQUKUNPP-CQSZACIVSA-N 1 0 327.812 3.031 20 5 EGBDRO CC(=O)NCC1CC[NH+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000352672519 457517044 /nfs/dbraw/zinc/51/70/44/457517044.db2.gz TUQVMRHRTAZSKW-UHFFFAOYSA-N 1 0 333.432 3.066 20 5 EGBDRO COCC(C)(C)[N@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425450163 457558819 /nfs/dbraw/zinc/55/88/19/457558819.db2.gz UTYBGTUXUHZIOT-UHFFFAOYSA-N 1 0 331.210 3.214 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000425552250 457595031 /nfs/dbraw/zinc/59/50/31/457595031.db2.gz KRKKKNZBEQMTDK-GOSISDBHSA-N 1 0 346.427 3.385 20 5 EGBDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000361151387 457616424 /nfs/dbraw/zinc/61/64/24/457616424.db2.gz DPZIMDUWOQQFEB-ZIAGYGMSSA-N 1 0 329.400 3.379 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000374410077 457617480 /nfs/dbraw/zinc/61/74/80/457617480.db2.gz GEMRGMGZHYIBMJ-GJZGRUSLSA-N 1 0 334.416 3.240 20 5 EGBDRO C[C@H]1CCC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)[C@H]1C ZINC000357729947 457671389 /nfs/dbraw/zinc/67/13/89/457671389.db2.gz JUOXMVRGHPVCQH-STQMWFEESA-N 1 0 333.388 3.013 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H](C)CCC[C@@H]1C ZINC000357747879 457676523 /nfs/dbraw/zinc/67/65/23/457676523.db2.gz RCOSGUYSSMZHEJ-KBPBESRZSA-N 1 0 349.431 3.443 20 5 EGBDRO Cc1c([C@H](C)[NH2+]Cc2ccc(-n3ccnc3)nc2)cccc1[N+](=O)[O-] ZINC000370669853 457696466 /nfs/dbraw/zinc/69/64/66/457696466.db2.gz RTRHPRFKXDUXHA-AWEZNQCLSA-N 1 0 337.383 3.335 20 5 EGBDRO Cc1cc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c2cccc([N+](=O)[O-])c2n1 ZINC000364862793 457708556 /nfs/dbraw/zinc/70/85/56/457708556.db2.gz IJCFSOHRSMPNGE-KBPBESRZSA-N 1 0 326.400 3.490 20 5 EGBDRO Cn1cc(C[C@@H]2CC[N@H+](Cc3cc([N+](=O)[O-])ccc3Cl)C2)cn1 ZINC000361403580 457720155 /nfs/dbraw/zinc/72/01/55/457720155.db2.gz JDVWCDGZOBPEDG-LBPRGKRZSA-N 1 0 334.807 3.046 20 5 EGBDRO Cc1c(C[NH2+]C2CCN(CCC(F)(F)F)CC2)cccc1[N+](=O)[O-] ZINC000361460298 457739577 /nfs/dbraw/zinc/73/95/77/457739577.db2.gz USTZLWFXJVYTRB-UHFFFAOYSA-N 1 0 345.365 3.410 20 5 EGBDRO C[N@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)[C@@H]1CCC(C)(C)C1 ZINC000361468163 457741786 /nfs/dbraw/zinc/74/17/86/457741786.db2.gz IEHYLLDKWUDBIR-CQSZACIVSA-N 1 0 347.415 3.403 20 5 EGBDRO CC(=O)Nc1ccc(C[NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)cn1 ZINC000433203856 457777881 /nfs/dbraw/zinc/77/78/81/457777881.db2.gz DBRDVEQDYKYBHV-MDWZMJQESA-N 1 0 340.383 3.141 20 5 EGBDRO CN(C)[C@]1(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CCSC1 ZINC000433307150 457805213 /nfs/dbraw/zinc/80/52/13/457805213.db2.gz UQXCSMIQBRVZDB-AEFFLSMTSA-N 1 0 349.500 3.344 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)[C@@H]1OCCc2sccc21 ZINC000366537358 457843809 /nfs/dbraw/zinc/84/38/09/457843809.db2.gz WZCHVKYAQYYUGS-DIFFPNOSSA-N 1 0 348.424 3.457 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000411281485 457847404 /nfs/dbraw/zinc/84/74/04/457847404.db2.gz TYJGJHGOMRCGFU-STQMWFEESA-N 1 0 335.404 3.195 20 5 EGBDRO CC[C@H]1C[C@@H](C)C[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000411306872 457854428 /nfs/dbraw/zinc/85/44/28/457854428.db2.gz WSMMEMJHKIQLJC-OLZOCXBDSA-N 1 0 335.404 3.052 20 5 EGBDRO COc1ccc(NC(=O)CC[NH+]2CCC(C(C)C)CC2)c([N+](=O)[O-])c1 ZINC000444220082 457868321 /nfs/dbraw/zinc/86/83/21/457868321.db2.gz ZZKOIUFPFMHDED-UHFFFAOYSA-N 1 0 349.431 3.300 20 5 EGBDRO COC(=O)c1cc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)cs1 ZINC000411693786 457951026 /nfs/dbraw/zinc/95/10/26/457951026.db2.gz MMNLZCCVIJFAOB-UHFFFAOYSA-N 1 0 334.397 3.117 20 5 EGBDRO Cc1cc(N2CCC[N@@H+]3CCC[C@@H]3C2)c2cccc([N+](=O)[O-])c2n1 ZINC000367582515 457965058 /nfs/dbraw/zinc/96/50/58/457965058.db2.gz LXZDZSSCIFDKRX-CQSZACIVSA-N 1 0 326.400 3.126 20 5 EGBDRO CCC(C)(C)[NH2+][C@H](C)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000358398487 457978863 /nfs/dbraw/zinc/97/88/63/457978863.db2.gz YMWOYZQOJKNPPU-SNVBAGLBSA-N 1 0 327.812 3.031 20 5 EGBDRO Cc1cc(NC(=O)c2ccc([N+](=O)[O-])s2)ccc1OCC[NH+](C)C ZINC000458238642 457983806 /nfs/dbraw/zinc/98/38/06/457983806.db2.gz YORKGHWQTBPTFW-UHFFFAOYSA-N 1 0 349.412 3.157 20 5 EGBDRO COc1cccc(C(=O)Nc2ccc(C[NH+](C)C)c(C)c2)c1[N+](=O)[O-] ZINC000458264430 457992566 /nfs/dbraw/zinc/99/25/66/457992566.db2.gz LZOFFVJCZACEHX-UHFFFAOYSA-N 1 0 343.383 3.226 20 5 EGBDRO COc1ccc(-c2ccc(CN3CC[C@@H]([NH3+])[C@@H](C)C3)o2)c([N+](=O)[O-])c1 ZINC000435375911 458127299 /nfs/dbraw/zinc/12/72/99/458127299.db2.gz OWGVZRHYBLQJBZ-BLLLJJGKSA-N 1 0 345.399 3.033 20 5 EGBDRO CCCN(Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CC[NH2+]C1 ZINC000435380717 458128988 /nfs/dbraw/zinc/12/89/88/458128988.db2.gz PFEONRRQDJLMDB-INIZCTEOSA-N 1 0 346.456 3.292 20 5 EGBDRO O=[N+]([O-])c1cc(CN(Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cs1 ZINC000435391738 458136091 /nfs/dbraw/zinc/13/60/91/458136091.db2.gz UDQIEZVLWJVLMH-INIZCTEOSA-N 1 0 346.456 3.196 20 5 EGBDRO C[C@@H]1C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@H](C)[C@H](C)O1 ZINC000446077232 458141911 /nfs/dbraw/zinc/14/19/11/458141911.db2.gz DHNRLQWCWCXSNJ-MCIONIFRSA-N 1 0 345.399 3.290 20 5 EGBDRO CCCCOC1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000362450852 458186443 /nfs/dbraw/zinc/18/64/43/458186443.db2.gz RWDQGNJLUFHNJB-UHFFFAOYSA-N 1 0 349.431 3.205 20 5 EGBDRO C[NH+](C)C1(CNc2c(Cl)cc(Cl)cc2[N+](=O)[O-])CCOCC1 ZINC000429210477 458291336 /nfs/dbraw/zinc/29/13/36/458291336.db2.gz TXFZMLYFWCIOGU-UHFFFAOYSA-N 1 0 348.230 3.424 20 5 EGBDRO CN(C)C1(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCCCC1 ZINC000447520373 458303662 /nfs/dbraw/zinc/30/36/62/458303662.db2.gz TUTWITSTQZQWKH-HZPDHXFCSA-N 1 0 349.479 3.129 20 5 EGBDRO Cc1cccc(CC[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000447538309 458307767 /nfs/dbraw/zinc/30/77/67/458307767.db2.gz BMYZWPCQNPYHSR-SJORKVTESA-N 1 0 328.416 3.416 20 5 EGBDRO CCC(CC)(CCO)C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447564950 458312735 /nfs/dbraw/zinc/31/27/35/458312735.db2.gz ZTIGWNKUZGEWQI-HUUCEWRRSA-N 1 0 338.452 3.053 20 5 EGBDRO Cc1cc(NC(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)ccc1[N+](=O)[O-] ZINC000447998120 458376381 /nfs/dbraw/zinc/37/63/81/458376381.db2.gz JCQONXPMAIZLMA-HNNXBMFYSA-N 1 0 334.420 3.145 20 5 EGBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCC2(C1)CC[NH2+]CC2 ZINC000373137761 458407252 /nfs/dbraw/zinc/40/72/52/458407252.db2.gz HYHCLDRWJHSHII-UHFFFAOYSA-N 1 0 345.424 3.025 20 5 EGBDRO C[N@@H+]1CC[C@]2(CCN(Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2)C1 ZINC000430133383 458408139 /nfs/dbraw/zinc/40/81/39/458408139.db2.gz NOJYKFMBUNXOTH-IBGZPJMESA-N 1 0 341.411 3.382 20 5 EGBDRO CN(C)C1(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CCC1 ZINC000437074662 458425437 /nfs/dbraw/zinc/42/54/37/458425437.db2.gz JQLJVSDOOOGBBS-WBVHZDCISA-N 1 0 331.460 3.380 20 5 EGBDRO Cc1ccc(C[NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)nc1C ZINC000459663105 458440513 /nfs/dbraw/zinc/44/05/13/458440513.db2.gz HYPWDEZCJBRVTA-ZDUSSCGKSA-N 1 0 342.399 3.114 20 5 EGBDRO CCOc1cc(C[N@@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000459789079 458479890 /nfs/dbraw/zinc/47/98/90/458479890.db2.gz FSWFWVGVUKYEMO-FUHWJXTLSA-N 1 0 348.443 3.367 20 5 EGBDRO Cc1cc(C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)cc([N+](=O)[O-])c1 ZINC000437833813 458499991 /nfs/dbraw/zinc/49/99/91/458499991.db2.gz BHBYFMFFWQLRSA-QGZVFWFLSA-N 1 0 345.443 3.430 20 5 EGBDRO Cc1cccc(C(=O)Nc2nc(C3CC[NH2+]CC3)cs2)c1[N+](=O)[O-] ZINC000423980633 458529647 /nfs/dbraw/zinc/52/96/47/458529647.db2.gz TZVASRLIFVOWOI-UHFFFAOYSA-N 1 0 346.412 3.079 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCCN(C)CC(F)(F)F ZINC000468639939 458529806 /nfs/dbraw/zinc/52/98/06/458529806.db2.gz UYWNVMUJLGEHSU-LCYFTJDESA-N 1 0 345.365 3.472 20 5 EGBDRO C[NH+](C)CCc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000438558786 458598619 /nfs/dbraw/zinc/59/86/19/458598619.db2.gz UCISFFSHRYWCDC-UHFFFAOYSA-N 1 0 331.347 3.090 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCCN(C(=O)C(C)C)CC1 ZINC000470179798 458620902 /nfs/dbraw/zinc/62/09/02/458620902.db2.gz CIKRUOOEXDTUBE-VBKFSLOCSA-N 1 0 345.443 3.188 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](CCO)Cc1ccccc1 ZINC000470176350 458621253 /nfs/dbraw/zinc/62/12/53/458621253.db2.gz WHGHSOKACGSTNH-FOWTUZBSSA-N 1 0 326.396 3.493 20 5 EGBDRO CCn1ccnc1[C@H](C)NC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000456385771 458658394 /nfs/dbraw/zinc/65/83/94/458658394.db2.gz MLMAJWVQHVOIES-JTQLQIEISA-N 1 0 334.401 3.024 20 5 EGBDRO CC1=CC[N@H+](CCNC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 ZINC000547294803 458715820 /nfs/dbraw/zinc/71/58/20/458715820.db2.gz PTQWXWQLDYLKFI-UHFFFAOYSA-N 1 0 345.443 3.274 20 5 EGBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2c2ccnc3c2cccc3[N+](=O)[O-])C1 ZINC000432340656 458720073 /nfs/dbraw/zinc/72/00/73/458720073.db2.gz NZDWFTVCLTUFJX-UKRRQHHQSA-N 1 0 326.400 3.064 20 5 EGBDRO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000471806874 458733706 /nfs/dbraw/zinc/73/37/06/458733706.db2.gz ZQCIIFQQFOOTFU-IUODEOHRSA-N 1 0 346.358 3.481 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+]C1(c2ccc(F)cc2)CC1 ZINC000440290460 458800925 /nfs/dbraw/zinc/80/09/25/458800925.db2.gz IGOARPDABKWROA-UHFFFAOYSA-N 1 0 343.358 3.260 20 5 EGBDRO C[C@@H]1C[N@H+](CCCNc2ccc(Cl)cc2[N+](=O)[O-])CCCO1 ZINC000432862984 458802275 /nfs/dbraw/zinc/80/22/75/458802275.db2.gz BRMNUCZOERODRL-GFCCVEGCSA-N 1 0 327.812 3.161 20 5 EGBDRO CCOc1cc(C[N@H+](C)C[C@@H](O)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000433041356 458831636 /nfs/dbraw/zinc/83/16/36/458831636.db2.gz CISZZBIZGFTQGE-KRWDZBQOSA-N 1 0 344.411 3.029 20 5 EGBDRO COC(=O)N1CCC[C@H]([C@H](C)[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000495509970 458871127 /nfs/dbraw/zinc/87/11/27/458871127.db2.gz FSIPMSVRBRJNRC-WKIIYXSPSA-N 1 0 347.415 3.065 20 5 EGBDRO CC(C)[N@@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000531535034 458930358 /nfs/dbraw/zinc/93/03/58/458930358.db2.gz ZQVHQDLGTHJWCH-NSHDSACASA-N 1 0 329.347 3.338 20 5 EGBDRO C[C@@H]([NH2+]Cc1cccc(N2CCC2=O)c1)c1ccc([N+](=O)[O-])cc1 ZINC000442091219 458991635 /nfs/dbraw/zinc/99/16/35/458991635.db2.gz WIYIDUGVEBEBMH-CYBMUJFWSA-N 1 0 325.368 3.182 20 5 EGBDRO C[C@]12C[N@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000519802231 459007096 /nfs/dbraw/zinc/00/70/96/459007096.db2.gz TZGUVYIAWRLEJR-AHAHFWPDSA-N 1 0 344.411 3.329 20 5 EGBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCc2ccccc2CC1 ZINC000577319612 459015243 /nfs/dbraw/zinc/01/52/43/459015243.db2.gz YWKROMAFIGRSMP-AWEZNQCLSA-N 1 0 339.395 3.023 20 5 EGBDRO COc1ncc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1Cl ZINC000594506010 459066734 /nfs/dbraw/zinc/06/67/34/459066734.db2.gz IOEBEIWNJZROKO-CQSZACIVSA-N 1 0 333.775 3.429 20 5 EGBDRO CCCN(CC[NH+]1CCCCC1)C(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000557630133 459092859 /nfs/dbraw/zinc/09/28/59/459092859.db2.gz FVJQUTOIZAUOJW-UHFFFAOYSA-N 1 0 347.459 3.170 20 5 EGBDRO CC[C@H](C)[C@@H]1CCCC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000532586163 459113557 /nfs/dbraw/zinc/11/35/57/459113557.db2.gz UIGIZDJOJUKWQD-YOEHRIQHSA-N 1 0 333.432 3.458 20 5 EGBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@@H]3[C@@H]4CCO[C@H]4C34CCC4)c2c1 ZINC000521107603 459119552 /nfs/dbraw/zinc/11/95/52/459119552.db2.gz ZKVOYYSXUOCPPA-BMGDILEWSA-N 1 0 341.411 3.166 20 5 EGBDRO CC(C)[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)CC1CC1 ZINC000532665252 459125588 /nfs/dbraw/zinc/12/55/88/459125588.db2.gz FQINDJBAAPJNNH-UHFFFAOYSA-N 1 0 325.796 3.307 20 5 EGBDRO COC[C@@H](C)Oc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000594926939 459178692 /nfs/dbraw/zinc/17/86/92/459178692.db2.gz XZKPRZNXBRPTIE-CQSZACIVSA-N 1 0 330.384 3.298 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCN1CCCCCC1)C1CC1 ZINC000480266347 459190647 /nfs/dbraw/zinc/19/06/47/459190647.db2.gz OULJHTGDFREAKM-GOSISDBHSA-N 1 0 331.460 3.382 20 5 EGBDRO Cc1c([C@H](C)[NH2+]C[C@H](CC(C)C)N2CCOCC2)cccc1[N+](=O)[O-] ZINC000480272012 459191271 /nfs/dbraw/zinc/19/12/71/459191271.db2.gz BFWHKCLNSSJQDK-IRXDYDNUSA-N 1 0 349.475 3.301 20 5 EGBDRO Cc1cc(N2CCC(CC[NH3+])CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000568004259 459207387 /nfs/dbraw/zinc/20/73/87/459207387.db2.gz KJRICXFVTJPGGK-UHFFFAOYSA-N 1 0 331.338 3.487 20 5 EGBDRO CC(C)C[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CCCC1 ZINC000533254652 459207881 /nfs/dbraw/zinc/20/78/81/459207881.db2.gz MOIDAAFAQQJDQU-UHFFFAOYSA-N 1 0 345.443 3.385 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCN2Cc2ccccc2)c(F)c1 ZINC000594999724 459209847 /nfs/dbraw/zinc/20/98/47/459209847.db2.gz VJMBYXOATOMPNU-QGZVFWFLSA-N 1 0 329.375 3.098 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H](c1ccco1)N(C)C ZINC000595008840 459214473 /nfs/dbraw/zinc/21/44/73/459214473.db2.gz WKQKPFSKFSLHAG-DOMZBBRYSA-N 1 0 333.388 3.150 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCC(=O)Nc1ccccc1 ZINC000595016016 459216371 /nfs/dbraw/zinc/21/63/71/459216371.db2.gz GCKBIAVFBQGSRF-ZDUSSCGKSA-N 1 0 343.383 3.283 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1COc2ccccc2C1 ZINC000595017419 459217212 /nfs/dbraw/zinc/21/72/12/459217212.db2.gz VHTVHUDCWYGLLR-GXTWGEPZSA-N 1 0 328.368 3.258 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000595016902 459217465 /nfs/dbraw/zinc/21/74/65/459217465.db2.gz ATDLSNUAIOORAU-WQFMGJDKSA-N 1 0 334.416 3.458 20 5 EGBDRO CC(C)(C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)[C@]1(O)CCCOC1 ZINC000595096182 459244724 /nfs/dbraw/zinc/24/47/24/459244724.db2.gz XIQQXWSOGBRMMY-HKUYNNGSSA-N 1 0 348.443 3.130 20 5 EGBDRO CCOc1cc(N2CC[NH+]([C@@H]3C=CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000481786355 459274615 /nfs/dbraw/zinc/27/46/15/459274615.db2.gz UQTPWMOMNRGJBK-OAHLLOKOSA-N 1 0 331.416 3.224 20 5 EGBDRO O=C1C[C@H]2CC[C@@H](C1)N2Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000590967245 459285320 /nfs/dbraw/zinc/28/53/20/459285320.db2.gz UQZBSWIUPBVKKX-OKILXGFUSA-N 1 0 343.408 3.414 20 5 EGBDRO CC[C@H](CC(F)F)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000595371546 459285963 /nfs/dbraw/zinc/28/59/63/459285963.db2.gz OFROQTLSFWETMG-NEPJUHHUSA-N 1 0 328.363 3.157 20 5 EGBDRO C[C@H](NCc1ccc(F)cc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000595431302 459299689 /nfs/dbraw/zinc/29/96/89/459299689.db2.gz ONMCMNBFDBXBRD-ZFWWWQNUSA-N 1 0 335.423 3.477 20 5 EGBDRO CCOc1ccc(NC(=O)C[N@H+](C)[C@H]2CCC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000483117748 459341110 /nfs/dbraw/zinc/34/11/10/459341110.db2.gz YMVAMVVVOZBHBK-ZDUSSCGKSA-N 1 0 349.431 3.443 20 5 EGBDRO Cc1ccc(NC(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000591270348 459344843 /nfs/dbraw/zinc/34/48/43/459344843.db2.gz XOANRSYPEFZFFF-CABCVRRESA-N 1 0 346.431 3.147 20 5 EGBDRO Cc1cc(NC(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC000591296400 459349612 /nfs/dbraw/zinc/34/96/12/459349612.db2.gz GYMWDLLSRFERBZ-CABCVRRESA-N 1 0 346.431 3.147 20 5 EGBDRO C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@H](CO)Cc1ccccc1 ZINC000595597542 459359140 /nfs/dbraw/zinc/35/91/40/459359140.db2.gz RHFFUBFLRNMQRR-INIZCTEOSA-N 1 0 334.803 3.284 20 5 EGBDRO Cc1ccc2c(c1)C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC2 ZINC000595657531 459386562 /nfs/dbraw/zinc/38/65/62/459386562.db2.gz MOLBVAPFADVFSH-UHFFFAOYSA-N 1 0 339.395 3.290 20 5 EGBDRO C[C@H]1CCN(CC[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000525288350 459441431 /nfs/dbraw/zinc/44/14/31/459441431.db2.gz ZRNBXZGWFUCALL-AWEZNQCLSA-N 1 0 329.400 3.286 20 5 EGBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)cc1 ZINC000595790983 459442331 /nfs/dbraw/zinc/44/23/31/459442331.db2.gz RTTXBXJHAVVKDT-YJBOKZPZSA-N 1 0 334.416 3.255 20 5 EGBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)cc1 ZINC000595790982 459442456 /nfs/dbraw/zinc/44/24/56/459442456.db2.gz RTTXBXJHAVVKDT-QAPCUYQASA-N 1 0 334.416 3.255 20 5 EGBDRO C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC[N@@H+]1C ZINC000485399429 459452795 /nfs/dbraw/zinc/45/27/95/459452795.db2.gz PGCPFWZTDPGBEW-WFASDCNBSA-N 1 0 344.390 3.112 20 5 EGBDRO CCC[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000525410333 459453494 /nfs/dbraw/zinc/45/34/94/459453494.db2.gz CSQLSSYXRUTMRH-ZTFGCOKTSA-N 1 0 348.443 3.499 20 5 EGBDRO CC(=O)Nc1ccc([C@@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)cc1 ZINC000541916229 459510670 /nfs/dbraw/zinc/51/06/70/459510670.db2.gz OOPDVDSTAGXDAZ-CYBMUJFWSA-N 1 0 343.383 3.283 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+](C)CCC(C)(C)C ZINC000592145010 459535414 /nfs/dbraw/zinc/53/54/14/459535414.db2.gz SLHAKGRSJWSFKA-LBPRGKRZSA-N 1 0 337.420 3.298 20 5 EGBDRO CC(C)C1CCC([NH+]2CCN(c3cc[nH]c(=O)c3[N+](=O)[O-])CC2)CC1 ZINC000596154399 459539534 /nfs/dbraw/zinc/53/95/34/459539534.db2.gz IZZRSVQBXSZHGW-UHFFFAOYSA-N 1 0 348.447 3.032 20 5 EGBDRO CCOc1cc(C[N@@H+]2CC3(C[C@H]2C)CCOCC3)ccc1[N+](=O)[O-] ZINC000592185085 459544908 /nfs/dbraw/zinc/54/49/08/459544908.db2.gz VEBIVACJPYBAJN-CQSZACIVSA-N 1 0 334.416 3.385 20 5 EGBDRO O=[N+]([O-])c1cncc(Cl)c1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000596170700 459546778 /nfs/dbraw/zinc/54/67/78/459546778.db2.gz VUBKRZDSXVYZTM-RISCZKNCSA-N 1 0 336.823 3.096 20 5 EGBDRO C[C@H](CC[NH3+])NC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000592331335 459575215 /nfs/dbraw/zinc/57/52/15/459575215.db2.gz TVVRMTGATXMAJA-LLVKDONJSA-N 1 0 337.445 3.097 20 5 EGBDRO Cc1ccnc(N2CCC([NH2+]Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000596252447 459576033 /nfs/dbraw/zinc/57/60/33/459576033.db2.gz MBFDLJNZKPKJED-UHFFFAOYSA-N 1 0 326.400 3.057 20 5 EGBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC2(CCC([NH+](C)C)CC2)CC1 ZINC000596256040 459576809 /nfs/dbraw/zinc/57/68/09/459576809.db2.gz XATIURFJMSUKNW-UHFFFAOYSA-N 1 0 332.448 3.389 20 5 EGBDRO CC(C)(C)[N@@H+]1CCCN(c2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000562530091 459579233 /nfs/dbraw/zinc/57/92/33/459579233.db2.gz NAQDYWMKAKZVQG-UHFFFAOYSA-N 1 0 328.416 3.454 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H](n2cc(C)cn2)C1 ZINC000583784494 459595040 /nfs/dbraw/zinc/59/50/40/459595040.db2.gz GEONXYGSTWELMU-ODHXBGJQSA-N 1 0 326.400 3.450 20 5 EGBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1[C@H](C)C[N@@H+](CC)C[C@@H]1C ZINC000572917199 459595078 /nfs/dbraw/zinc/59/50/78/459595078.db2.gz BYAXZFNJNZFIRB-HLLBOEOZSA-N 1 0 347.459 3.105 20 5 EGBDRO O=C(N[C@H]1CC[NH2+]C2(CCC2)C1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000592568223 459632126 /nfs/dbraw/zinc/63/21/26/459632126.db2.gz KPTLAZHHNWWWRS-LBPRGKRZSA-N 1 0 345.424 3.214 20 5 EGBDRO COCC[N@H+](C)CCCC1CCN(c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000499657237 459644098 /nfs/dbraw/zinc/64/40/98/459644098.db2.gz NKEMGMMDCLRIJL-UHFFFAOYSA-N 1 0 349.475 3.478 20 5 EGBDRO O=[N+]([O-])c1ccc2ncnc(N[C@@H]3CC[N@@H+](C4CCCCC4)C3)c2c1 ZINC000596478468 459650711 /nfs/dbraw/zinc/65/07/11/459650711.db2.gz NLCKHVRHVQERLJ-CYBMUJFWSA-N 1 0 341.415 3.357 20 5 EGBDRO COC(=O)c1cc(-c2ccc(CC[NH+](C)C)cc2)cc([N+](=O)[O-])c1 ZINC000596636596 459708537 /nfs/dbraw/zinc/70/85/37/459708537.db2.gz NYDSZBPBKBAEGO-UHFFFAOYSA-N 1 0 328.368 3.153 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000596638011 459708671 /nfs/dbraw/zinc/70/86/71/459708671.db2.gz RFAXMVNQAWBXKZ-ZDUSSCGKSA-N 1 0 334.420 3.145 20 5 EGBDRO Cc1ccc(CCC[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000544071827 459724187 /nfs/dbraw/zinc/72/41/87/459724187.db2.gz ITESOGROQJGNBW-QGZVFWFLSA-N 1 0 340.427 3.417 20 5 EGBDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000596680434 459726088 /nfs/dbraw/zinc/72/60/88/459726088.db2.gz OVNIODPCOSMPCZ-CYBMUJFWSA-N 1 0 348.447 3.002 20 5 EGBDRO CC[C@H]1C[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)[C@@H](CC)CO1 ZINC000593059632 459760121 /nfs/dbraw/zinc/76/01/21/459760121.db2.gz RLZCNYJDDMEKOX-GJZGRUSLSA-N 1 0 349.431 3.121 20 5 EGBDRO C[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)CCc2ccc(Cl)cc21 ZINC000593065414 459762286 /nfs/dbraw/zinc/76/22/86/459762286.db2.gz ABZQOJSTCUVZED-GFCCVEGCSA-N 1 0 334.807 3.107 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000596787109 459762810 /nfs/dbraw/zinc/76/28/10/459762810.db2.gz DRFQPAQWGSCKBU-AWEZNQCLSA-N 1 0 348.447 3.454 20 5 EGBDRO CC1(C)C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@@H]2CCC[C@@H]21 ZINC000584842861 459813786 /nfs/dbraw/zinc/81/37/86/459813786.db2.gz BNOBXTKAXOTPMG-JKSUJKDBSA-N 1 0 332.400 3.472 20 5 EGBDRO Cc1ccc([C@@H](C)NC(=O)[C@H]2CC[N@@H+]2C2CCCC2)cc1[N+](=O)[O-] ZINC000602117171 459847034 /nfs/dbraw/zinc/84/70/34/459847034.db2.gz OZVKFJUMYDYYDN-CZUORRHYSA-N 1 0 331.416 3.097 20 5 EGBDRO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccc2[nH]c(=O)oc2c1 ZINC000586790842 459873869 /nfs/dbraw/zinc/87/38/69/459873869.db2.gz MECDLVMQSWRWCV-NSHDSACASA-N 1 0 343.339 3.171 20 5 EGBDRO COc1ccc(C[NH2+][C@H](C)c2ccc3[nH]c(=O)oc3c2)cc1[N+](=O)[O-] ZINC000586789374 459874317 /nfs/dbraw/zinc/87/43/17/459874317.db2.gz YXVOCTXZBMVVJN-SNVBAGLBSA-N 1 0 343.339 3.301 20 5 EGBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000609234557 459928329 /nfs/dbraw/zinc/92/83/29/459928329.db2.gz VBAYSSISLCPCGM-LJQANCHMSA-N 1 0 342.395 3.437 20 5 EGBDRO C[C@@H]1CCCC[C@H]1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602521242 459981035 /nfs/dbraw/zinc/98/10/35/459981035.db2.gz LKZGTYJSSLHHMB-CABCVRRESA-N 1 0 332.448 3.375 20 5 EGBDRO CC[C@H](C)NC(=O)CC[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602520812 459981342 /nfs/dbraw/zinc/98/13/42/459981342.db2.gz MOAFSQPFOCQAQJ-JTQLQIEISA-N 1 0 347.337 3.008 20 5 EGBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602522847 459982152 /nfs/dbraw/zinc/98/21/52/459982152.db2.gz YONDJIFOPLQCBR-MCIONIFRSA-N 1 0 346.431 3.192 20 5 EGBDRO C[C@@H]1C[C@@H](C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CCO1 ZINC000602581406 460008153 /nfs/dbraw/zinc/00/81/53/460008153.db2.gz JRIGSMKOYFBVMU-BDAKNGLRSA-N 1 0 349.250 3.324 20 5 EGBDRO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)[C@]12CCCO2 ZINC000602564259 459998826 /nfs/dbraw/zinc/99/88/26/459998826.db2.gz RMLPXHMUMHKNRG-OKDNKWQNSA-N 1 0 334.416 3.280 20 5 EGBDRO CCOC(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)[nH]1 ZINC000602562995 459999929 /nfs/dbraw/zinc/99/99/29/459999929.db2.gz KZLFOAGYWODQFS-LBPRGKRZSA-N 1 0 331.372 3.259 20 5 EGBDRO Cc1cnc([C@@H](C)[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)s1 ZINC000602573776 460002574 /nfs/dbraw/zinc/00/25/74/460002574.db2.gz UISWPERECWPTGZ-GFCCVEGCSA-N 1 0 347.444 3.074 20 5 EGBDRO C[C@@H]1CCCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)[C@@H]1CC[NH3+] ZINC000593914251 460015284 /nfs/dbraw/zinc/01/52/84/460015284.db2.gz BVUPBJZCISHBOU-CZUORRHYSA-N 1 0 347.459 3.482 20 5 EGBDRO C[C@]1(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CCO[C@H]1C1CC1 ZINC000602611428 460021388 /nfs/dbraw/zinc/02/13/88/460021388.db2.gz NSVOAOSWMSQGJY-DLBZAZTESA-N 1 0 331.372 3.031 20 5 EGBDRO C[C@@H]1OCC[C@]1(C)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602611608 460022091 /nfs/dbraw/zinc/02/20/91/460022091.db2.gz YARDFPHMMWYONY-CPCISQLKSA-N 1 0 335.223 3.076 20 5 EGBDRO C[C@@H]1CC[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C[C@H]1C ZINC000602611542 460023074 /nfs/dbraw/zinc/02/30/74/460023074.db2.gz FRHWVNLCYGEMDH-IIAWOOMASA-N 1 0 332.448 3.373 20 5 EGBDRO CC(C)c1ccc(C(=O)N2CCC[C@]3(CC[N@H+](C)C3)C2)cc1[N+](=O)[O-] ZINC000597709793 460035095 /nfs/dbraw/zinc/03/50/95/460035095.db2.gz CGRDKFDLRAPQHE-LJQANCHMSA-N 1 0 345.443 3.276 20 5 EGBDRO CCC[C@@]1([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CCOC1 ZINC000602660541 460050617 /nfs/dbraw/zinc/05/06/17/460050617.db2.gz FLQWIVXDGAJIMV-GFCCVEGCSA-N 1 0 349.250 3.468 20 5 EGBDRO C[C@@H]1CSC[C@H]1[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602664176 460052208 /nfs/dbraw/zinc/05/22/08/460052208.db2.gz UEOOFKYSCMVIIL-HZGVNTEJSA-N 1 0 337.264 3.260 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCc2cc(C(F)(F)F)ccn2)cc1 ZINC000602673232 460057848 /nfs/dbraw/zinc/05/78/48/460057848.db2.gz CXAZYXOHKUYOFK-UHFFFAOYSA-N 1 0 339.317 3.383 20 5 EGBDRO CC1(C)C[C@H]([NH2+][C@H]2CCO[C@]3(CCOC3)C2)c2cc([N+](=O)[O-])ccc21 ZINC000576094340 460068168 /nfs/dbraw/zinc/06/81/68/460068168.db2.gz QMOJLGKUPOXJMV-SOVGHPHASA-N 1 0 346.427 3.245 20 5 EGBDRO CN(Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C[C@H]1CCC[N@@H+]1C ZINC000602701058 460074377 /nfs/dbraw/zinc/07/43/77/460074377.db2.gz ZCHOZSLQUXZLCF-CYBMUJFWSA-N 1 0 331.338 3.140 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](C)c1ccc(OC(F)F)cc1 ZINC000602800202 460132721 /nfs/dbraw/zinc/13/27/21/460132721.db2.gz KLMHNKQMIJPKQY-SNVBAGLBSA-N 1 0 340.330 3.052 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](c1ccc(F)c(C)c1)C1CC1 ZINC000602800360 460133486 /nfs/dbraw/zinc/13/34/86/460133486.db2.gz IGOSIEKCRPYNRE-QGZVFWFLSA-N 1 0 332.379 3.288 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](C)c1cccc(N2CCCC2)c1 ZINC000602806489 460137239 /nfs/dbraw/zinc/13/72/39/460137239.db2.gz UVFSEQSPHCCZRO-AWEZNQCLSA-N 1 0 343.431 3.051 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000610782626 460235710 /nfs/dbraw/zinc/23/57/10/460235710.db2.gz XZYFSUHBZPURRC-UHFFFAOYSA-N 1 0 342.321 3.251 20 5 EGBDRO COCCC1CC[NH+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000599507920 460263953 /nfs/dbraw/zinc/26/39/53/460263953.db2.gz WWWTYLQZSBFJSZ-UHFFFAOYSA-N 1 0 345.399 3.498 20 5 EGBDRO C[C@H](c1ccccc1[N+](=O)[O-])n1cc(C[NH2+]C2CCCCC2)nn1 ZINC000603210569 460265138 /nfs/dbraw/zinc/26/51/38/460265138.db2.gz DUBGRNDJJDWOQQ-CYBMUJFWSA-N 1 0 329.404 3.218 20 5 EGBDRO Cc1ccc(C(=O)N(C)CCCC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000603414270 460300359 /nfs/dbraw/zinc/30/03/59/460300359.db2.gz PVRQMVMSAIQHCK-UHFFFAOYSA-N 1 0 333.432 3.241 20 5 EGBDRO CN(Cc1ccc(OCC[NH+](C)C)cc1)Cc1ccccc1[N+](=O)[O-] ZINC000611254743 460318539 /nfs/dbraw/zinc/31/85/39/460318539.db2.gz ALPINCSFIMGRGA-UHFFFAOYSA-N 1 0 343.427 3.167 20 5 EGBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(c2ccc([N+](=O)[O-])c3cccnc32)C1 ZINC000611297721 460330967 /nfs/dbraw/zinc/33/09/67/460330967.db2.gz ZXKJHUFDQLZAAL-HNNXBMFYSA-N 1 0 340.427 3.311 20 5 EGBDRO C[C@H]1CC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC12CCC2 ZINC000611303416 460334083 /nfs/dbraw/zinc/33/40/83/460334083.db2.gz JNEISLANSONTJU-AWEZNQCLSA-N 1 0 331.416 3.070 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000611442809 460366600 /nfs/dbraw/zinc/36/66/00/460366600.db2.gz FERCVGNKKKGTQX-JTQLQIEISA-N 1 0 342.321 3.469 20 5 EGBDRO CCN(C(=O)c1cc2cc([N+](=O)[O-])ccc2s1)C1CC[NH+](C)CC1 ZINC000599985372 460366860 /nfs/dbraw/zinc/36/68/60/460366860.db2.gz DDIPXSVHQXURIJ-UHFFFAOYSA-N 1 0 347.440 3.366 20 5 EGBDRO Cc1cccc(CN(C)CC(=O)Nc2c(C)cccc2[N+](=O)[O-])c1 ZINC000604016109 460369320 /nfs/dbraw/zinc/36/93/20/460369320.db2.gz CKEDHQFFVONEOS-UHFFFAOYSA-N 1 0 327.384 3.282 20 5 EGBDRO Cn1ccnc1[C@H]([NH2+]CC(C1CC1)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000611560743 460399930 /nfs/dbraw/zinc/39/99/30/460399930.db2.gz KWCQTYPMQFFNPD-GOSISDBHSA-N 1 0 340.427 3.444 20 5 EGBDRO COc1cc(CN2CCCC(F)(F)CC2)c([N+](=O)[O-])cc1OC ZINC000600189312 460428945 /nfs/dbraw/zinc/42/89/45/460428945.db2.gz VBQWMQROWXDUAO-UHFFFAOYSA-N 1 0 330.331 3.233 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](c1ccnn1C)C(C)C ZINC000615943159 460433200 /nfs/dbraw/zinc/43/32/00/460433200.db2.gz LVRWVVOEKNERPW-MRXNPFEDSA-N 1 0 346.431 3.256 20 5 EGBDRO CCOc1cc(C[NH2+][C@@H](CO)[C@@H](C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000617221173 460777958 /nfs/dbraw/zinc/77/79/58/460777958.db2.gz CTFJNUTUZCASAQ-YOEHRIQHSA-N 1 0 344.411 3.248 20 5 EGBDRO CC[C@@H]([NH2+][C@H]1CCN(c2ccccn2)C1)c1cccc([N+](=O)[O-])c1 ZINC000181703726 529207382 /nfs/dbraw/zinc/20/73/82/529207382.db2.gz UBEQYVLYEXONLP-DOTOQJQBSA-N 1 0 326.400 3.309 20 5 EGBDRO CCS[C@H]1CC[C@H]([N@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000173869971 535729871 /nfs/dbraw/zinc/72/98/71/535729871.db2.gz DFWLNVCGPPEYQZ-STQMWFEESA-N 1 0 337.445 3.139 20 5 EGBDRO CN(c1ccccc1)c1ccc(C[NH2+][C@@H](CO)C2CC2)cc1[N+](=O)[O-] ZINC000734165404 575450967 /nfs/dbraw/zinc/45/09/67/575450967.db2.gz YOBJZSVQBYBBST-KRWDZBQOSA-N 1 0 341.411 3.223 20 5 EGBDRO COc1ccccc1OCC[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000734835000 575563159 /nfs/dbraw/zinc/56/31/59/575563159.db2.gz GNNHCKHDCDYKEV-UHFFFAOYSA-N 1 0 336.775 3.425 20 5 EGBDRO O=[N+]([O-])c1ccc(NC(=S)N2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000737459019 576232421 /nfs/dbraw/zinc/23/24/21/576232421.db2.gz JWIVGVRRAKIZQT-OAHLLOKOSA-N 1 0 348.472 3.242 20 5 EGBDRO COc1ccc(-c2ccc(C[NH2+][C@H](CCO)C3CC3)o2)c([N+](=O)[O-])c1 ZINC000741258598 576669489 /nfs/dbraw/zinc/66/94/89/576669489.db2.gz QNMATFJHIKBOKK-MRXNPFEDSA-N 1 0 346.383 3.114 20 5 EGBDRO CC(C)C[C@H]1CCC[N@@H+]1Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000742147513 576751558 /nfs/dbraw/zinc/75/15/58/576751558.db2.gz INILINQJTVWKJK-OAHLLOKOSA-N 1 0 329.404 3.321 20 5 EGBDRO C[C@H]1CCC[C@H](C)[NH+]1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000009998060 1291111562 /nfs/dbraw/zinc/11/15/62/1291111562.db2.gz HYRDAYJRQBHLSL-QWRGUYRKSA-N 1 0 325.796 3.450 20 5 EGBDRO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CCCCC1 ZINC000058913231 1291907143 /nfs/dbraw/zinc/90/71/43/1291907143.db2.gz CJHXAVARAMQJLO-MRXNPFEDSA-N 1 0 336.392 3.425 20 5 EGBDRO CCS(=O)(=O)NCC[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000066876059 1292131640 /nfs/dbraw/zinc/13/16/40/1292131640.db2.gz KYFJCSFUDYNNLB-UHFFFAOYSA-N 1 0 342.464 3.022 20 5 EGBDRO O=C(CC[N@@H+]1CC[C@@H]2CCCC[C@@H]21)Nc1cc([N+](=O)[O-])ccc1F ZINC000829012244 1292528600 /nfs/dbraw/zinc/52/86/00/1292528600.db2.gz MGYFBSNGMJAQPQ-LRDDRELGSA-N 1 0 335.379 3.327 20 5 EGBDRO CCCCO[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1(C)C ZINC000829677996 1292599965 /nfs/dbraw/zinc/59/99/65/1292599965.db2.gz VMWONYJUNRSRQS-IXDOHACOSA-N 1 0 336.432 3.202 20 5 EGBDRO CCCCO[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1(C)C ZINC000829677994 1292600274 /nfs/dbraw/zinc/60/02/74/1292600274.db2.gz VMWONYJUNRSRQS-BRWVUGGUSA-N 1 0 336.432 3.202 20 5 EGBDRO CC[C@@H](CSC)[N@H+](C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000091099512 1292817735 /nfs/dbraw/zinc/81/77/35/1292817735.db2.gz YRBAFBYDQNWVMQ-NSHDSACASA-N 1 0 345.852 3.260 20 5 EGBDRO CC(C)(CCC(=O)Nc1ccccc1Nc1cc[nH+]cc1)[N+](=O)[O-] ZINC000834794871 1293150770 /nfs/dbraw/zinc/15/07/70/1293150770.db2.gz JJZJAJYFSLSAQK-UHFFFAOYSA-N 1 0 328.372 3.021 20 5 EGBDRO C[C@H]([NH2+][C@@H]1CCO[C@@H](c2ccncc2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834891712 1293165371 /nfs/dbraw/zinc/16/53/71/1293165371.db2.gz JMJCQRYYVRPJKB-WBHUJUFNSA-N 1 0 342.399 3.143 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCOCC3CCCC3)CC2)cc1 ZINC000834909769 1293173450 /nfs/dbraw/zinc/17/34/50/1293173450.db2.gz MBXZMHNWRLQWGI-UHFFFAOYSA-N 1 0 347.459 3.360 20 5 EGBDRO CCOCCC[N@@H+]1CC[C@H](NCc2ccc(C)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000115628086 1293192804 /nfs/dbraw/zinc/19/28/04/1293192804.db2.gz RIHCSKNHBIMFRP-AEFFLSMTSA-N 1 0 349.475 3.130 20 5 EGBDRO CCCCC[N@H+](Cn1cc(Br)c([N+](=O)[O-])n1)C(C)C ZINC000116256431 1293201872 /nfs/dbraw/zinc/20/18/72/1293201872.db2.gz QCPIWKZHZXENLW-UHFFFAOYSA-N 1 0 333.230 3.412 20 5 EGBDRO C[N@H+](CCC1CCOCC1)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000121157798 1293357386 /nfs/dbraw/zinc/35/73/86/1293357386.db2.gz WKBNRFXLIUCBDB-UHFFFAOYSA-N 1 0 344.415 3.164 20 5 EGBDRO Cc1cc(F)cc(C(=O)NCCC[N@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000121372225 1293367571 /nfs/dbraw/zinc/36/75/71/1293367571.db2.gz VBAFNMWZNIZWRQ-CYBMUJFWSA-N 1 0 337.395 3.037 20 5 EGBDRO CC(C)C[C@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000128764868 1293604408 /nfs/dbraw/zinc/60/44/08/1293604408.db2.gz KHLSYUFBXMQDLC-CYBMUJFWSA-N 1 0 337.395 3.431 20 5 EGBDRO CC[C@@H](C)C[N@H+](CC)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000128831860 1293605210 /nfs/dbraw/zinc/60/52/10/1293605210.db2.gz CAXZTDNEYAZONR-GFCCVEGCSA-N 1 0 325.384 3.431 20 5 EGBDRO CSC[C@H]1CCC[N@@H+]1Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000130902431 1293671897 /nfs/dbraw/zinc/67/18/97/1293671897.db2.gz ZADCTRVZABEZME-MRXNPFEDSA-N 1 0 332.429 3.243 20 5 EGBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)C(=O)NCc1ccccc1 ZINC000131045636 1293676728 /nfs/dbraw/zinc/67/67/28/1293676728.db2.gz DAWBWGZCGVVTDP-GFCCVEGCSA-N 1 0 347.802 3.043 20 5 EGBDRO CC[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(OC)cc1 ZINC000136820204 1293823811 /nfs/dbraw/zinc/82/38/11/1293823811.db2.gz LCKVUAZZXIMXLY-QZTJIDSGSA-N 1 0 330.384 3.378 20 5 EGBDRO C[C@H]1CCC[C@@H]([N@H+](C)Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C1 ZINC000172894799 1294448228 /nfs/dbraw/zinc/44/82/28/1294448228.db2.gz XNBLSASWSFRHGQ-DZGCQCFKSA-N 1 0 329.404 3.321 20 5 EGBDRO O=[N+]([O-])c1ccc2cnn(C[N@@H+]3CCS[C@@H]4CCCC[C@@H]43)c2c1 ZINC000176822537 1294636484 /nfs/dbraw/zinc/63/64/84/1294636484.db2.gz YRZSZQSDAPPAHL-GOEBONIOSA-N 1 0 332.429 3.262 20 5 EGBDRO CC[C@H]([NH2+]C[C@]1(O)CCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000181672554 1294983385 /nfs/dbraw/zinc/98/33/85/1294983385.db2.gz QUBMEROJUUAKFQ-RBUKOAKNSA-N 1 0 326.396 3.470 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)NC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000190002667 1295556878 /nfs/dbraw/zinc/55/68/78/1295556878.db2.gz AVRQIYVKBRMYBC-CHWSQXEVSA-N 1 0 337.420 3.467 20 5 EGBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1cccnc1 ZINC000194721027 1296001960 /nfs/dbraw/zinc/00/19/60/1296001960.db2.gz CUTLQCQJTSOOID-MNOVXSKESA-N 1 0 348.790 3.321 20 5 EGBDRO CO[C@H]1C[C@H]([NH2+]Cc2ccc(Br)c([N+](=O)[O-])c2)C1(C)C ZINC000227827310 1296149665 /nfs/dbraw/zinc/14/96/65/1296149665.db2.gz RQWMVXJJYHBJCP-STQMWFEESA-N 1 0 343.221 3.260 20 5 EGBDRO [NH3+][C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1c1ccccc1 ZINC000261837596 1296605164 /nfs/dbraw/zinc/60/51/64/1296605164.db2.gz ZKRBJIZBKGAXQD-DOTOQJQBSA-N 1 0 331.803 3.175 20 5 EGBDRO COC[C@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC)[C@@H]1CCCO1 ZINC000872066324 1296711832 /nfs/dbraw/zinc/71/18/32/1296711832.db2.gz HBVFOPKQYNJCFG-UGFHNGPFSA-N 1 0 340.445 3.161 20 5 EGBDRO CN(c1ccccc1)c1ccc(C[NH2+]C[C@H]2C[C@H](O)C2)cc1[N+](=O)[O-] ZINC000873177129 1297328377 /nfs/dbraw/zinc/32/83/77/1297328377.db2.gz TZHYFWHEMLIBOD-JCNLHEQBSA-N 1 0 341.411 3.223 20 5 EGBDRO Cn1ccnc1[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000444793430 1297860051 /nfs/dbraw/zinc/86/00/51/1297860051.db2.gz HIQQRYXYZWBCPC-ZDUSSCGKSA-N 1 0 334.807 3.361 20 5 EGBDRO C[C@H]1CC[C@@H](Oc2c(Br)c(F)ccc2[N+](=O)[O-])C[NH2+]1 ZINC000689743832 1298126875 /nfs/dbraw/zinc/12/68/75/1298126875.db2.gz LAASBVFTCVFITA-JGVFFNPUSA-N 1 0 333.157 3.016 20 5 EGBDRO CSc1ccc([N+](=O)[O-])c(C(=O)OCC[C@H]2CCCC[N@@H+]2C)c1 ZINC000875144077 1298242671 /nfs/dbraw/zinc/24/26/71/1298242671.db2.gz FZRZNLFDUDTBJK-GFCCVEGCSA-N 1 0 338.429 3.348 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCN1CCc2ccccc21 ZINC000725849790 1298376373 /nfs/dbraw/zinc/37/63/73/1298376373.db2.gz XRVGTJNOUIHKAL-UHFFFAOYSA-N 1 0 341.411 3.146 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CCC(OC[C@@H]2CCOC2)CC1 ZINC000877303113 1299240538 /nfs/dbraw/zinc/24/05/38/1299240538.db2.gz PDPGIKPKRNUIMQ-MRXNPFEDSA-N 1 0 348.443 3.229 20 5 EGBDRO Cc1ccc(CCC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000749641353 1299250191 /nfs/dbraw/zinc/25/01/91/1299250191.db2.gz XYWZRKDWEKKONW-IBGZPJMESA-N 1 0 328.412 3.467 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H]2CCSc3ccccc32)c1 ZINC000749676333 1299253951 /nfs/dbraw/zinc/25/39/51/1299253951.db2.gz MNJUPEKBUKSTMQ-CVEARBPZSA-N 1 0 330.409 3.455 20 5 EGBDRO Cc1c(C(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)cccc1[N+](=O)[O-] ZINC000750579358 1299429430 /nfs/dbraw/zinc/42/94/30/1299429430.db2.gz DYBODPQNIRUCBB-UHFFFAOYSA-N 1 0 341.411 3.237 20 5 EGBDRO CC(C)C[C@@H]1CC[N@H+](CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)C1 ZINC000752791454 1299795469 /nfs/dbraw/zinc/79/54/69/1299795469.db2.gz GQOVNCFRWQNNIX-HNNXBMFYSA-N 1 0 346.431 3.162 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1nnc(C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)o1 ZINC000878757328 1300176102 /nfs/dbraw/zinc/17/61/02/1300176102.db2.gz IOMVTQGGZMOQHX-JSGCOSHPSA-N 1 0 328.372 3.409 20 5 EGBDRO COc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc(C)s2)c([N+](=O)[O-])c1 ZINC000754663650 1300185928 /nfs/dbraw/zinc/18/59/28/1300185928.db2.gz PPWMZTLBWOCJGZ-NSHDSACASA-N 1 0 349.412 3.263 20 5 EGBDRO Cc1c([C@H](C)[NH2+][C@@H](C)CNC(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC000756076228 1300435631 /nfs/dbraw/zinc/43/56/31/1300435631.db2.gz FAYOYPMQSUNFGD-AAEUAGOBSA-N 1 0 337.420 3.467 20 5 EGBDRO Cc1cc(F)cc(C(=O)NCC2([NH+](C)C)CCCCC2)c1[N+](=O)[O-] ZINC000758370861 1300863809 /nfs/dbraw/zinc/86/38/09/1300863809.db2.gz GFFKGPRMCIFVHX-UHFFFAOYSA-N 1 0 337.395 3.037 20 5 EGBDRO Cc1cc(F)cc(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000758416730 1300878919 /nfs/dbraw/zinc/87/89/19/1300878919.db2.gz FBFCEFQGSOORGE-STQMWFEESA-N 1 0 337.395 3.035 20 5 EGBDRO COc1ccc2c(c1)OC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)C2 ZINC000761525253 1301490770 /nfs/dbraw/zinc/49/07/70/1301490770.db2.gz DUSRNCUXVGXOIE-ZDUSSCGKSA-N 1 0 348.786 3.350 20 5 EGBDRO O=[N+]([O-])c1c(F)nccc1NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000882284802 1301911178 /nfs/dbraw/zinc/91/11/78/1301911178.db2.gz TYFVLNHTUJBKGM-AWEZNQCLSA-N 1 0 330.363 3.063 20 5 EGBDRO C[C@](O)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1cccc(Cl)c1 ZINC000764978982 1302180092 /nfs/dbraw/zinc/18/00/92/1302180092.db2.gz IUBUALSSFATUCJ-INIZCTEOSA-N 1 0 338.766 3.385 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3CCCC34OCCO4)o2)cc1 ZINC000883178842 1302286760 /nfs/dbraw/zinc/28/67/60/1302286760.db2.gz GJRXKCNTAJTARO-KRWDZBQOSA-N 1 0 344.367 3.240 20 5 EGBDRO COc1ccc(F)cc1[C@H](C)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000765848658 1302338077 /nfs/dbraw/zinc/33/80/77/1302338077.db2.gz LEJPLPPRFRWXJW-MEDUHNTESA-N 1 0 334.347 3.127 20 5 EGBDRO CC(C)[C@H](CO)[N@H+](Cc1ccccc1)Cc1cccnc1[N+](=O)[O-] ZINC000886033525 1303327965 /nfs/dbraw/zinc/32/79/65/1303327965.db2.gz WGQJDVONEQHHGW-KRWDZBQOSA-N 1 0 329.400 3.009 20 5 EGBDRO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000886035412 1303328666 /nfs/dbraw/zinc/32/86/66/1303328666.db2.gz MCTMTXZPRYTPGL-ZIAGYGMSSA-N 1 0 333.413 3.139 20 5 EGBDRO COc1ccccc1C[C@H]([NH2+]Cc1cccnc1[N+](=O)[O-])C(C)C ZINC000886127038 1303365504 /nfs/dbraw/zinc/36/55/04/1303365504.db2.gz AAZQTLRXQMSCHE-INIZCTEOSA-N 1 0 329.400 3.355 20 5 EGBDRO CC(C)[C@@H](CN(C)Cc1ccccc1)[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886140497 1303371633 /nfs/dbraw/zinc/37/16/33/1303371633.db2.gz JETKXRUECCCRKH-GOSISDBHSA-N 1 0 342.443 3.236 20 5 EGBDRO CC[NH+](CC)CCOC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000772166905 1303499213 /nfs/dbraw/zinc/49/92/13/1303499213.db2.gz PXCHSBRAUICWCI-UHFFFAOYSA-N 1 0 334.294 3.112 20 5 EGBDRO Cc1nc(C2CC[NH+](CCOc3ccc([N+](=O)[O-])cc3)CC2)[nH]c1C ZINC000886668794 1303549445 /nfs/dbraw/zinc/54/94/45/1303549445.db2.gz ZNJPUBQODTUHDW-UHFFFAOYSA-N 1 0 344.415 3.193 20 5 EGBDRO COc1cc(NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000774513620 1303818773 /nfs/dbraw/zinc/81/87/73/1303818773.db2.gz DODNXCUFMNKWBE-QWHCGFSZSA-N 1 0 337.420 3.287 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CC=C(c3ccc(O)cc3)CC2)cc1 ZINC000776274393 1304125378 /nfs/dbraw/zinc/12/53/78/1304125378.db2.gz HIKUFTRXAVZGOG-LJQANCHMSA-N 1 0 340.379 3.123 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@H+](Cc2cccc(F)c2)C2CC2)cc1 ZINC000776274245 1304125474 /nfs/dbraw/zinc/12/54/74/1304125474.db2.gz CKGKIONOJYWJKD-GOSISDBHSA-N 1 0 330.359 3.432 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCS[C@@H](c3ccccc3)C2)cc1 ZINC000776584327 1304175240 /nfs/dbraw/zinc/17/52/40/1304175240.db2.gz LSMLHGCABHAJFK-ZWKOTPCHSA-N 1 0 344.436 3.418 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CC[C@@H](Cc3ccc(F)cc3)C2)cc1 ZINC000776583565 1304175387 /nfs/dbraw/zinc/17/53/87/1304175387.db2.gz FVUGLAYXPFOGAN-KXBFYZLASA-N 1 0 344.386 3.332 20 5 EGBDRO COC(=O)C1=C(C)O[C@@H](C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)C1 ZINC000778213866 1304419975 /nfs/dbraw/zinc/41/99/75/1304419975.db2.gz HYDLWAWXBKUKCX-MRXNPFEDSA-N 1 0 348.399 3.041 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@H](N2CCCCC2=O)C1 ZINC000778943397 1304510947 /nfs/dbraw/zinc/51/09/47/1304510947.db2.gz CYHYIGLNHVZQSC-RDJZCZTQSA-N 1 0 345.443 3.441 20 5 EGBDRO CC(C)[C@H]1CCC[N@H+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C1 ZINC000780496979 1304700641 /nfs/dbraw/zinc/70/06/41/1304700641.db2.gz KOFKFVPHUYTFON-HNNXBMFYSA-N 1 0 329.404 3.179 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CC[C@@H]3CCCCO3)CC2)cc1 ZINC000780744219 1304733120 /nfs/dbraw/zinc/73/31/20/1304733120.db2.gz VGWVGZMICXQGLR-SFHVURJKSA-N 1 0 333.432 3.112 20 5 EGBDRO CC[NH+](CC)CCOC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000781258736 1304799394 /nfs/dbraw/zinc/79/93/94/1304799394.db2.gz FHIYOQKLLLDIIS-UHFFFAOYSA-N 1 0 338.407 3.180 20 5 EGBDRO COc1c(O)ccc(C[NH2+][C@@H]2CCc3ccc(C)cc32)c1[N+](=O)[O-] ZINC000892920824 1305609307 /nfs/dbraw/zinc/60/93/07/1305609307.db2.gz LOVISYICIODEBJ-OAHLLOKOSA-N 1 0 328.368 3.395 20 5 EGBDRO Cc1nn(C[N@@H+]2CCSC(C)(C)CC2)c2cc([N+](=O)[O-])ccc12 ZINC000788377718 1305931312 /nfs/dbraw/zinc/93/13/12/1305931312.db2.gz ZADATXSLQMECBC-UHFFFAOYSA-N 1 0 334.445 3.428 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]CCO[C@H]1CCCCO1 ZINC000894798235 1309077729 /nfs/dbraw/zinc/07/77/29/1309077729.db2.gz ZMWOJSSMTMDZQL-WDYCEAGBSA-N 1 0 348.443 3.439 20 5 EGBDRO COc1c(O)ccc(C[N@@H+]2CCSC3(CCC3)CC2)c1[N+](=O)[O-] ZINC000894888638 1309116290 /nfs/dbraw/zinc/11/62/90/1309116290.db2.gz GCECDRRFCIZDNJ-UHFFFAOYSA-N 1 0 338.429 3.171 20 5 EGBDRO Cc1ccc(C2=NO[C@@H](C[NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000895495598 1309370095 /nfs/dbraw/zinc/37/00/95/1309370095.db2.gz USWPIJWBFURBSG-QGZVFWFLSA-N 1 0 325.368 3.186 20 5 EGBDRO COc1c(O)ccc(C[NH2+]CC(C)(C)c2ccc(C)cn2)c1[N+](=O)[O-] ZINC000895585862 1309415963 /nfs/dbraw/zinc/41/59/63/1309415963.db2.gz TYCWYTMMRHPUFJ-UHFFFAOYSA-N 1 0 345.399 3.080 20 5 EGBDRO CSC[C@@H]1CCC[N@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000793797338 1309443384 /nfs/dbraw/zinc/44/33/84/1309443384.db2.gz ODYWVQBTFNJDHY-CQSZACIVSA-N 1 0 346.456 3.491 20 5 EGBDRO COc1ccc(C[NH2+]C(C)(C)[C@@H](O)c2ccccc2)cc1[N+](=O)[O-] ZINC000895658117 1309450823 /nfs/dbraw/zinc/45/08/23/1309450823.db2.gz HFBQYLAUBIMKNK-KRWDZBQOSA-N 1 0 330.384 3.205 20 5 EGBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000794257139 1309494433 /nfs/dbraw/zinc/49/44/33/1309494433.db2.gz JWZZVFAXOCOFNE-NSHDSACASA-N 1 0 327.812 3.098 20 5 EGBDRO Cc1[nH+]cc2n1C[C@H](c1nc(-c3ccc([N+](=O)[O-])cc3C)no1)CC2 ZINC000896088754 1309695009 /nfs/dbraw/zinc/69/50/09/1309695009.db2.gz VNYJWTGSGLIWIM-GFCCVEGCSA-N 1 0 339.355 3.188 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CC[C@H](C3OCCO3)C2)o1 ZINC000896384547 1309833651 /nfs/dbraw/zinc/83/36/51/1309833651.db2.gz MSFCAGOWROIGBB-ZDUSSCGKSA-N 1 0 344.367 3.050 20 5 EGBDRO Cc1cc(CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc(Cl)n1 ZINC000797591903 1310215283 /nfs/dbraw/zinc/21/52/83/1310215283.db2.gz WHJNHJAIRUYUHZ-ZDUSSCGKSA-N 1 0 347.806 3.033 20 5 EGBDRO CN(CCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000797968935 1310276627 /nfs/dbraw/zinc/27/66/27/1310276627.db2.gz BWPHYQBBRVISGA-UHFFFAOYSA-N 1 0 337.420 3.284 20 5 EGBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)c1ccc([N+](=O)[O-])cc1Br ZINC000798395670 1310353809 /nfs/dbraw/zinc/35/38/09/1310353809.db2.gz KNCCTEXPBFUYPN-GXFFZTMASA-N 1 0 342.237 3.134 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](CCO)Cc2ccccc2)cc1Cl ZINC000799738974 1310611219 /nfs/dbraw/zinc/61/12/19/1310611219.db2.gz FLUGLBFHZGYVNO-OAHLLOKOSA-N 1 0 334.803 3.332 20 5 EGBDRO CC(C)(CCC(=O)Nc1ccc(Nc2cc[nH+]cc2)cc1)[N+](=O)[O-] ZINC000898298495 1310666528 /nfs/dbraw/zinc/66/65/28/1310666528.db2.gz NGLXGHXGJIRLME-UHFFFAOYSA-N 1 0 328.372 3.021 20 5 EGBDRO CC(C)(C(=O)OCCC[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000800171671 1310690380 /nfs/dbraw/zinc/69/03/80/1310690380.db2.gz RQMAENGIAJKUGL-UHFFFAOYSA-N 1 0 334.416 3.292 20 5 EGBDRO C[C@@H]1CCC[N@H+](CCCCNc2c([N+](=O)[O-])cccc2[N+](=O)[O-])C1 ZINC000804351501 1317221741 /nfs/dbraw/zinc/22/17/41/1317221741.db2.gz APNWPZOYCDMOFH-CYBMUJFWSA-N 1 0 336.392 3.427 20 5 EGBDRO CCCN(CC[NH+]1CCCCC1)C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000804566235 1317260624 /nfs/dbraw/zinc/26/06/24/1317260624.db2.gz NQVMJDIIDVQCRF-FLIBITNWSA-N 1 0 345.443 3.333 20 5 EGBDRO C[N@@H+]1CCN(c2cccc(F)c2[N+](=O)[O-])C[C@@H]1Cc1ccccc1 ZINC000804720817 1317276729 /nfs/dbraw/zinc/27/67/29/1317276729.db2.gz VRJMBZASRCQEPC-HNNXBMFYSA-N 1 0 329.375 3.097 20 5 EGBDRO C[NH+](C)CCN(Cc1ccco1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000809746694 1317888247 /nfs/dbraw/zinc/88/82/47/1317888247.db2.gz YCAASBYSQJWBTJ-UHFFFAOYSA-N 1 0 337.807 3.405 20 5 EGBDRO Nc1cc(N)[nH+]c(SCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])n1 ZINC000809950411 1317923249 /nfs/dbraw/zinc/92/32/49/1317923249.db2.gz QLSRAVVZBPODCS-UHFFFAOYSA-N 1 0 346.199 3.148 20 5 EGBDRO C[C@@H]([NH2+][C@@H](C)C(=O)NCc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000905853542 1318008195 /nfs/dbraw/zinc/00/81/95/1318008195.db2.gz SOOVMIACLQHXGV-OLZOCXBDSA-N 1 0 345.374 3.089 20 5 EGBDRO CSc1ccc(C(=O)O[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000810850428 1318065520 /nfs/dbraw/zinc/06/55/20/1318065520.db2.gz DVHJYUCXTOPVJU-CHWSQXEVSA-N 1 0 336.413 3.100 20 5 EGBDRO CC[NH+](CC)C[C@@H](C)NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000813452368 1318567443 /nfs/dbraw/zinc/56/74/43/1318567443.db2.gz YOGIBSGYWZONLY-SECBINFHSA-N 1 0 348.230 3.362 20 5 EGBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1)C1=CCCCCC1 ZINC001022006394 1318767805 /nfs/dbraw/zinc/76/78/05/1318767805.db2.gz CQWJAJVZKUDAGZ-GASCZTMLSA-N 1 0 349.456 3.284 20 5 EGBDRO Cc1ncccc1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000858518982 1328787008 /nfs/dbraw/zinc/78/70/08/1328787008.db2.gz NUKYIUHMJNJCGR-UHFFFAOYSA-N 1 0 326.400 3.057 20 5 EGBDRO C[NH+](C)Cc1cccc(NC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC000930137931 1328795412 /nfs/dbraw/zinc/79/54/12/1328795412.db2.gz LVEOMERYQQBCCE-ZWKOTPCHSA-N 1 0 339.395 3.399 20 5 EGBDRO C[C@@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000912807845 1318936076 /nfs/dbraw/zinc/93/60/76/1318936076.db2.gz QLZYQDRWQMXKRP-RLFYNMQTSA-N 1 0 347.459 3.277 20 5 EGBDRO C[C@@H]([NH2+][C@@H](Cn1ccnc1)C(C)(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815562835 1319016024 /nfs/dbraw/zinc/01/60/24/1319016024.db2.gz NLPACURUUCZVPG-WBMJQRKESA-N 1 0 331.420 3.139 20 5 EGBDRO COc1nc(C)cc(C)c1C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815574493 1319018240 /nfs/dbraw/zinc/01/82/40/1319018240.db2.gz RQMJMNRRIYLIEP-LBPRGKRZSA-N 1 0 330.388 3.048 20 5 EGBDRO C[C@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000815579619 1319018619 /nfs/dbraw/zinc/01/86/19/1319018619.db2.gz RDDSZONEIDFEOF-UWVGGRQHSA-N 1 0 341.371 3.171 20 5 EGBDRO CCOc1ccccc1CC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815591259 1319023165 /nfs/dbraw/zinc/02/31/65/1319023165.db2.gz BFPLFUGKKNHDEB-CYBMUJFWSA-N 1 0 329.400 3.469 20 5 EGBDRO C[C@@H](Nc1cccc(OCC[NH+](C)C)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815610846 1319026867 /nfs/dbraw/zinc/02/68/67/1319026867.db2.gz VYPMIQGTELRNDY-CYBMUJFWSA-N 1 0 344.415 3.291 20 5 EGBDRO O=[N+]([O-])c1nn(CN2CC[C@H](C3CCCC3)C2)cc1Br ZINC000817368419 1319342133 /nfs/dbraw/zinc/34/21/33/1319342133.db2.gz IDIJSNAZJZFJRM-NSHDSACASA-N 1 0 343.225 3.023 20 5 EGBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@H]1CCCCCC[C@@H]1[NH3+])CC2 ZINC000818608456 1319568640 /nfs/dbraw/zinc/56/86/40/1319568640.db2.gz DPODFYKNETVKAL-GJZGRUSLSA-N 1 0 331.416 3.090 20 5 EGBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@@H]1CCCCCC[C@H]1[NH3+])CC2 ZINC000818608457 1319568857 /nfs/dbraw/zinc/56/88/57/1319568857.db2.gz DPODFYKNETVKAL-HUUCEWRRSA-N 1 0 331.416 3.090 20 5 EGBDRO CC(C)c1nc(CC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cs1 ZINC000819002250 1319611273 /nfs/dbraw/zinc/61/12/73/1319611273.db2.gz IUYNIKGQACVHKW-HNNXBMFYSA-N 1 0 335.429 3.040 20 5 EGBDRO CCC(CC)[C@H](CNC[C@H](O)c1cccc([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000819059135 1319624047 /nfs/dbraw/zinc/62/40/47/1319624047.db2.gz BLCXYYRQYYRPJX-OALUTQOASA-N 1 0 349.475 3.118 20 5 EGBDRO Cc1ccc(NCCC[NH2+]C[C@@H](O)c2ccccc2F)c([N+](=O)[O-])c1 ZINC000819092810 1319633499 /nfs/dbraw/zinc/63/34/99/1319633499.db2.gz FCRKQFJZMCMVND-GOSISDBHSA-N 1 0 347.390 3.168 20 5 EGBDRO CC[C@@H](C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)Oc1ccccc1F ZINC000819135723 1319644869 /nfs/dbraw/zinc/64/48/69/1319644869.db2.gz ZADDQKJVFFQDQM-RDJZCZTQSA-N 1 0 348.374 3.215 20 5 EGBDRO CSc1cc(C)ccc1C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819150297 1319648683 /nfs/dbraw/zinc/64/86/83/1319648683.db2.gz OUDGLFKZSRKWOV-MRXNPFEDSA-N 1 0 332.425 3.448 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2COc3c2cccc3Cl)c1 ZINC000819156268 1319650874 /nfs/dbraw/zinc/65/08/74/1319650874.db2.gz ZATSFMZHSJGEQL-LSDHHAIUSA-N 1 0 334.759 3.005 20 5 EGBDRO CCCCCn1cc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)c(C)n1 ZINC000819201325 1319666903 /nfs/dbraw/zinc/66/69/03/1319666903.db2.gz NBRRXSREFYEGKY-SFHVURJKSA-N 1 0 346.431 3.113 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H]2C[C@H](c3ccc(F)cc3)C2)c1 ZINC000819330658 1319700290 /nfs/dbraw/zinc/70/02/90/1319700290.db2.gz YMRGTHGNYUIZNH-ZVZYQTTQSA-N 1 0 330.359 3.303 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]Cc2cc(C3CC3)ccc2F)c1 ZINC000819340080 1319702682 /nfs/dbraw/zinc/70/26/82/1319702682.db2.gz XMCJPHQOCJOCTQ-GOSISDBHSA-N 1 0 330.359 3.435 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000824361841 1320251140 /nfs/dbraw/zinc/25/11/40/1320251140.db2.gz TYXZEJYBOOAHAK-CQSZACIVSA-N 1 0 333.432 3.062 20 5 EGBDRO CC(C)(C)OC(=O)NCC[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000824820674 1320289304 /nfs/dbraw/zinc/28/93/04/1320289304.db2.gz KFAAFRSJXJFPLC-OAHLLOKOSA-N 1 0 349.431 3.299 20 5 EGBDRO COc1cc(C(=O)OC[C@@H]2CCCC[N@@H+]2C(C)C)ccc1[N+](=O)[O-] ZINC000837487657 1320628587 /nfs/dbraw/zinc/62/85/87/1320628587.db2.gz JRRXRODKEYHDHH-AWEZNQCLSA-N 1 0 336.388 3.023 20 5 EGBDRO CC(C)C([NH2+]CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C(C)C ZINC000839545016 1320935633 /nfs/dbraw/zinc/93/56/33/1320935633.db2.gz OILIKYHNTZIKCP-UHFFFAOYSA-N 1 0 327.812 3.457 20 5 EGBDRO O=C(C[N@H+](CC1CC1)C1CCC1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839590393 1320942007 /nfs/dbraw/zinc/94/20/07/1320942007.db2.gz UPGKJEWYJQKVSN-UHFFFAOYSA-N 1 0 337.807 3.451 20 5 EGBDRO [NH3+]C1(CNC(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)CCCCC1 ZINC000841104566 1321218910 /nfs/dbraw/zinc/21/89/10/1321218910.db2.gz ZEMTXSLQHPJKJK-UHFFFAOYSA-N 1 0 326.784 3.031 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C(=O)N2[C@H](C)C[N@H+](C)[C@H](C)[C@@H]2C)cc1Cl ZINC000844645799 1321630165 /nfs/dbraw/zinc/63/01/65/1321630165.db2.gz ICYHKMBZMGJKHP-UTUOFQBUSA-N 1 0 339.823 3.110 20 5 EGBDRO O=[N+]([O-])c1cc(F)c(Cl)cc1NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000845500724 1321713696 /nfs/dbraw/zinc/71/36/96/1321713696.db2.gz BECQVJWXKLEWCO-LLVKDONJSA-N 1 0 343.786 3.053 20 5 EGBDRO CC[C@@H](CSC)[N@H+](C)Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000848483804 1321964034 /nfs/dbraw/zinc/96/40/34/1321964034.db2.gz RPZICIOGXAGYGM-AWEZNQCLSA-N 1 0 334.445 3.489 20 5 EGBDRO O=C(OCc1ccccc1[N+](=O)[O-])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000848773693 1322006024 /nfs/dbraw/zinc/00/60/24/1322006024.db2.gz ANQFHKXYQNSSFU-INIZCTEOSA-N 1 0 340.379 3.160 20 5 EGBDRO O=C(NCc1cccc([N+](=O)[O-])c1)c1ccc(C[NH+]2CCCCC2)o1 ZINC000930921408 1329007611 /nfs/dbraw/zinc/00/76/11/1329007611.db2.gz PLLZKRRAZRUSLO-UHFFFAOYSA-N 1 0 343.383 3.104 20 5 EGBDRO C[C@@H](CN(C)C(=O)OC(C)(C)C)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000850416981 1322243538 /nfs/dbraw/zinc/24/35/38/1322243538.db2.gz IWAANEMDDSQTON-PLWJUESGSA-N 1 0 349.431 3.453 20 5 EGBDRO Cc1ccc(C[NH2+]C[C@@H](O)c2cc(F)c(F)c(F)c2)cc1[N+](=O)[O-] ZINC000850418364 1322243890 /nfs/dbraw/zinc/24/38/90/1322243890.db2.gz GMVJQXGFHFOUEX-OAHLLOKOSA-N 1 0 340.301 3.144 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H](O)c1ccc(C)cc1 ZINC000850425477 1322246888 /nfs/dbraw/zinc/24/68/88/1322246888.db2.gz MLRRFRVYSUHMOR-DYVFJYSZSA-N 1 0 330.384 3.296 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@](C)(O)c1ccccc1 ZINC000850436168 1322249485 /nfs/dbraw/zinc/24/94/85/1322249485.db2.gz SSBOISINMDMLHH-UGSOOPFHSA-N 1 0 330.384 3.162 20 5 EGBDRO COc1cc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc2c1OCO2 ZINC000922543237 1322552517 /nfs/dbraw/zinc/55/25/17/1322552517.db2.gz OEXPSHFDEVXUNU-LLVKDONJSA-N 1 0 330.340 3.183 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cc(C2CC2)nn1C ZINC000922947861 1322656780 /nfs/dbraw/zinc/65/67/80/1322656780.db2.gz LBKVWUHTHBSRNP-JYRVWZFOSA-N 1 0 326.400 3.399 20 5 EGBDRO CC(C)[N@@H+]1CCC[C@@H]1c1nc(CCNc2ccccc2[N+](=O)[O-])no1 ZINC000923881881 1322834287 /nfs/dbraw/zinc/83/42/87/1322834287.db2.gz PFZHTCBYBZYCNQ-OAHLLOKOSA-N 1 0 345.403 3.178 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)C1(Br)CC1 ZINC000924954678 1323226539 /nfs/dbraw/zinc/22/65/39/1323226539.db2.gz KSTFKROEMQMLRA-SECBINFHSA-N 1 0 329.194 3.009 20 5 EGBDRO COc1cccc(C2([NH2+]C[C@@H](O)c3cccc([N+](=O)[O-])c3)CCC2)c1 ZINC000852694165 1323227145 /nfs/dbraw/zinc/22/71/45/1323227145.db2.gz PQOUXPPHKLJUIR-GOSISDBHSA-N 1 0 342.395 3.306 20 5 EGBDRO C[C@@H](CN(C)Cc1ccc(F)cc1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000860101227 1329146977 /nfs/dbraw/zinc/14/69/77/1329146977.db2.gz ULMPCHHIBIEFBO-NSHDSACASA-N 1 0 341.383 3.079 20 5 EGBDRO Cc1cc(NC2CC[NH+](C[C@H]3CCCO3)CC2)c([N+](=O)[O-])s1 ZINC000853160202 1325055065 /nfs/dbraw/zinc/05/50/65/1325055065.db2.gz NBKQDGLQFKFZLW-CYBMUJFWSA-N 1 0 325.434 3.020 20 5 EGBDRO O=[N+]([O-])c1cn(CN2CCC3(CCC3)CC2)nc1-c1ccccn1 ZINC000853512366 1325110861 /nfs/dbraw/zinc/11/08/61/1325110861.db2.gz DHTXZTUTRKQYKZ-UHFFFAOYSA-N 1 0 327.388 3.077 20 5 EGBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1c(F)c(C)cc([N+](=O)[O-])c1F ZINC000854501234 1325268315 /nfs/dbraw/zinc/26/83/15/1325268315.db2.gz HEFQUZYKYMMRRG-LLVKDONJSA-N 1 0 343.374 3.032 20 5 EGBDRO CCN(C(=O)c1cc([N+](=O)[O-])c(C)cc1Cl)C1CC[NH+](C)CC1 ZINC000861889970 1329448240 /nfs/dbraw/zinc/44/82/40/1329448240.db2.gz ARLKRXGTFGRNBQ-UHFFFAOYSA-N 1 0 339.823 3.113 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCc1nc2c(s1)CCC2 ZINC000926930167 1327781934 /nfs/dbraw/zinc/78/19/34/1327781934.db2.gz VLCNXHDTLUKFLZ-LLVKDONJSA-N 1 0 347.440 3.442 20 5 EGBDRO CC1(C)C[C@@H]([NH2+]CC2CC3(C2)OCCO3)c2cc([N+](=O)[O-])ccc21 ZINC000927000760 1327813311 /nfs/dbraw/zinc/81/33/11/1327813311.db2.gz JMNARGCIYMMUGO-MRXNPFEDSA-N 1 0 332.400 3.060 20 5 EGBDRO C[N@@H+]1CCCC[C@H]1CCOC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000927508409 1328045585 /nfs/dbraw/zinc/04/55/85/1328045585.db2.gz XMSCCLPQZAFIIR-LBPRGKRZSA-N 1 0 331.372 3.107 20 5 EGBDRO CC1(C)CCC[N@H+](CCNC(=O)c2cccc([N+](=O)[O-])c2Cl)C1 ZINC000861345139 1329410753 /nfs/dbraw/zinc/41/07/53/1329410753.db2.gz ZGJKNSMUWCQMSQ-UHFFFAOYSA-N 1 0 339.823 3.100 20 5 EGBDRO COc1ccc(C[NH2+]Cc2cc(F)ccc2N(C)C)cc1[N+](=O)[O-] ZINC000865434219 1329697039 /nfs/dbraw/zinc/69/70/39/1329697039.db2.gz AXBWHGYJGGHSRO-UHFFFAOYSA-N 1 0 333.363 3.098 20 5 EGBDRO C[C@@H](NC(=O)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000932182743 1329791742 /nfs/dbraw/zinc/79/17/42/1329791742.db2.gz NJPHKPNVWFGXSW-VXGBXAGGSA-N 1 0 333.413 3.184 20 5 EGBDRO Cc1ccc(CNC(=O)C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1F ZINC000932182605 1329791773 /nfs/dbraw/zinc/79/17/73/1329791773.db2.gz LTWKKXLLQLPRCR-CYBMUJFWSA-N 1 0 345.374 3.009 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@H]1[C@@H](C)c1ccccc1 ZINC000932275565 1329802648 /nfs/dbraw/zinc/80/26/48/1329802648.db2.gz PMPIUVXNKOLJEY-YOEHRIQHSA-N 1 0 328.416 3.368 20 5 EGBDRO Cc1noc(C[C@@H]2CCC[N@@H+]([C@H](C)c3ccccc3[N+](=O)[O-])C2)n1 ZINC000933575928 1329902879 /nfs/dbraw/zinc/90/28/79/1329902879.db2.gz ODFZEMHAFGZGGC-OCCSQVGLSA-N 1 0 330.388 3.302 20 5 EGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1CCCc2c1cnn2C ZINC000866228454 1330080992 /nfs/dbraw/zinc/08/09/92/1330080992.db2.gz HNGJAAOAKMCBIB-ABAIWWIYSA-N 1 0 332.379 3.066 20 5 EGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H](O)c1cccc(F)c1 ZINC000866241732 1330084253 /nfs/dbraw/zinc/08/42/53/1330084253.db2.gz FWRCKKROCMCSNH-GTNSWQLSSA-N 1 0 336.338 3.127 20 5 EGBDRO Cc1ccc([C@H](C)NC(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)s1 ZINC000867942601 1330230974 /nfs/dbraw/zinc/23/09/74/1330230974.db2.gz DDSCKLWOKOVPRR-MEDUHNTESA-N 1 0 333.413 3.016 20 5 EGBDRO CC1(C)C[NH2+]CC[C@H]1Oc1c(F)cc([N+](=O)[O-])cc1Br ZINC001218315311 1373593627 /nfs/dbraw/zinc/59/36/27/1373593627.db2.gz KYQMDGWDNQKJOJ-LLVKDONJSA-N 1 0 347.184 3.263 20 5 EGBDRO CC[C@H]1CN(c2c(C)cncc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC001323175832 1387306818 /nfs/dbraw/zinc/30/68/18/1387306818.db2.gz QOGNTSBSUOXUDL-KRWDZBQOSA-N 1 0 340.427 3.399 20 5 EGBDRO O=[N+]([O-])c1cn(C[N@@H+]2CC[C@H]3CCCC[C@H]3C2)nc1-c1ccncc1 ZINC001323182547 1387308162 /nfs/dbraw/zinc/30/81/62/1387308162.db2.gz JKKBMHPRJFFKPS-ZBFHGGJFSA-N 1 0 341.415 3.323 20 5 EGBDRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)C1CCCCC1 ZINC001086294868 1359058336 /nfs/dbraw/zinc/05/83/36/1359058336.db2.gz VOUVWOGVPSQGAC-JCNLHEQBSA-N 1 0 345.443 3.160 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001323971953 1387501894 /nfs/dbraw/zinc/50/18/94/1387501894.db2.gz JKSNUPPKIJOECB-HIFRSBDPSA-N 1 0 334.420 3.206 20 5 EGBDRO Cc1cc(N2CC[NH+](C)CC2)ccc1Nc1cc(O)cc([N+](=O)[O-])c1 ZINC001201222822 1369498757 /nfs/dbraw/zinc/49/87/57/1369498757.db2.gz PPZMWAFRVRUZCV-UHFFFAOYSA-N 1 0 342.399 3.104 20 5 EGBDRO CC(C)=C(C)CC(=O)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001202020089 1369669436 /nfs/dbraw/zinc/66/94/36/1369669436.db2.gz NDQVHLYRYIRGRP-UHFFFAOYSA-N 1 0 345.443 3.422 20 5 EGBDRO CC[NH+]1CCN(Cc2ccc(Nc3cccc([N+](=O)[O-])c3)cc2)CC1 ZINC001204457437 1370482088 /nfs/dbraw/zinc/48/20/88/1370482088.db2.gz XQTOLMHGNSZYGV-UHFFFAOYSA-N 1 0 340.427 3.476 20 5 EGBDRO COc1cc(Nc2cccc([N+](=O)[O-])c2)ccc1N1CC[NH+](C)CC1 ZINC001204476568 1370486596 /nfs/dbraw/zinc/48/65/96/1370486596.db2.gz POGKKBQAWZJMDB-UHFFFAOYSA-N 1 0 342.399 3.099 20 5 EGBDRO CC/C=C(/C)C(=O)N1CCC(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001204662327 1370539343 /nfs/dbraw/zinc/53/93/43/1370539343.db2.gz MSPRULQJKOMRNX-WCSRMQSCSA-N 1 0 345.443 3.279 20 5 EGBDRO CSc1ccc([C@H](CNc2c(C)cncc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC001117742585 1371072202 /nfs/dbraw/zinc/07/22/02/1371072202.db2.gz URTIYYFJLXNMEC-HNNXBMFYSA-N 1 0 346.456 3.157 20 5 EGBDRO Cc1c(C[NH2+]C[C@]2(O)CCC[C@@H](C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC001119237795 1371288041 /nfs/dbraw/zinc/28/80/41/1371288041.db2.gz MHXSOWLUKJMVSH-HIFRSBDPSA-N 1 0 346.349 3.476 20 5 EGBDRO CCCCC(=O)NC1CC2(C1)CC([NH2+]Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001120639785 1371675173 /nfs/dbraw/zinc/67/51/73/1371675173.db2.gz NOEGJKXAKJYODP-UHFFFAOYSA-N 1 0 345.443 3.302 20 5 EGBDRO C[C@@H]1[C@H](C)[NH2+]C[C@H](C)N1C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC001122263417 1372216217 /nfs/dbraw/zinc/21/62/17/1372216217.db2.gz JHMVDEYGTWFZIZ-GARJFASQSA-N 1 0 333.413 3.020 20 5 EGBDRO CCOC(=O)c1cc([N+](=O)[O-])cc(-n2c(N)[nH+]c3c2cccc3C)c1 ZINC001211364511 1372540334 /nfs/dbraw/zinc/54/03/34/1372540334.db2.gz JYFXEHJRJKHLEI-UHFFFAOYSA-N 1 0 340.339 3.001 20 5 EGBDRO O=c1oc2cc(O[C@H]3CCC[NH2+]C[C@@H]3F)ccc2c2ccccc12 ZINC001217943916 1373514429 /nfs/dbraw/zinc/51/44/29/1373514429.db2.gz CHTYWYOEJRHMGZ-IRXDYDNUSA-N 1 0 327.355 3.415 20 5 EGBDRO CCC(C)(C)c1cc([N+](=O)[O-])c(O[C@H]2C[C@H]([NH2+]C)C2)c([N+](=O)[O-])c1 ZINC001217954453 1373518728 /nfs/dbraw/zinc/51/87/28/1373518728.db2.gz GDEMAFQVKDIGQG-HAQNSBGRSA-N 1 0 337.376 3.320 20 5 EGBDRO C[C@H]1C[NH2+]CCC[C@H]1Oc1ccc2c(c1)oc1cc(O)ccc1c2=O ZINC001217986578 1373527293 /nfs/dbraw/zinc/52/72/93/1373527293.db2.gz GBRVJPIMIYRVOD-YVEFUNNKSA-N 1 0 339.391 3.419 20 5 EGBDRO C[C@@H]1C[NH2+]CCC[C@@H]1Oc1c(F)cc(Br)cc1[N+](=O)[O-] ZINC001217991793 1373528835 /nfs/dbraw/zinc/52/88/35/1373528835.db2.gz XUYKUWKAAVTHQJ-PELKAZGASA-N 1 0 347.184 3.263 20 5 EGBDRO C[C@@H]1C[NH2+]CCC[C@@H]1Oc1cccc(Br)c1[N+](=O)[O-] ZINC001217994387 1373529643 /nfs/dbraw/zinc/52/96/43/1373529643.db2.gz SGUFVTCCFDVDAB-KOLCDFICSA-N 1 0 329.194 3.124 20 5 EGBDRO C[C@@H]1C[NH2+]CCC[C@@H]1Oc1cc(N2CCCCC2)ccc1[N+](=O)[O-] ZINC001217996073 1373530477 /nfs/dbraw/zinc/53/04/77/1373530477.db2.gz PMNQQQCHTUXODD-PBHICJAKSA-N 1 0 333.432 3.352 20 5 EGBDRO C[C@@H](Oc1c2ccccc2c([N+](=O)[O-])cc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC001218005242 1373534031 /nfs/dbraw/zinc/53/40/31/1373534031.db2.gz IVFKSHHBBFYJEJ-LLVKDONJSA-N 1 0 345.355 3.423 20 5 EGBDRO O=c1oc2cc(O[C@H]3CC[NH2+]CC[C@H]3F)ccc2c2ccccc12 ZINC001218016096 1373538162 /nfs/dbraw/zinc/53/81/62/1373538162.db2.gz OTZSEAITXUGBNB-SJORKVTESA-N 1 0 327.355 3.415 20 5 EGBDRO C[C@@H]1CC[NH2+]CC[C@H]1Oc1c2ccccc2c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001218031287 1373543275 /nfs/dbraw/zinc/54/32/75/1373543275.db2.gz YSSMJXIGXDRDFB-BDJLRTHQSA-N 1 0 345.355 3.423 20 5 EGBDRO O=[N+]([O-])c1ccc(O[C@H]2CCC23CC[NH2+]CC3)c(Br)c1 ZINC001218082358 1373557000 /nfs/dbraw/zinc/55/70/00/1373557000.db2.gz ZXVZKWHBUUPFFQ-ZDUSSCGKSA-N 1 0 341.205 3.268 20 5 EGBDRO O=[N+]([O-])c1cccc(O[C@H]2CCC23CC[NH2+]CC3)c1Br ZINC001218082201 1373557214 /nfs/dbraw/zinc/55/72/14/1373557214.db2.gz ZIHKZXIZDBOECA-LBPRGKRZSA-N 1 0 341.205 3.268 20 5 EGBDRO O=[N+]([O-])c1ccc(O[C@@H]2CCC[C@@H]3C[NH2+]C[C@@H]32)cc1C(F)(F)F ZINC001218144433 1373568706 /nfs/dbraw/zinc/56/87/06/1373568706.db2.gz RVFZTKQENPLXPL-OLUVUFQESA-N 1 0 330.306 3.381 20 5 EGBDRO Cc1cc(O[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)c([N+](=O)[O-])cc1Br ZINC001218183400 1373574263 /nfs/dbraw/zinc/57/42/63/1373574263.db2.gz BCDPEQILIUZYTQ-URLYPYJESA-N 1 0 341.205 3.328 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(OC[C@H]3C[NH2+]CCCO3)cc2)cc1 ZINC001218299380 1373590368 /nfs/dbraw/zinc/59/03/68/1373590368.db2.gz CPKJSGADPZCRDJ-GOSISDBHSA-N 1 0 328.368 3.019 20 5 EGBDRO Cc1c(Cl)cc([N+](=O)[O-])c(O[C@@H]2C=CC[NH2+]C2)c1Br ZINC001218334130 1373598987 /nfs/dbraw/zinc/59/89/87/1373598987.db2.gz MAVUGFXFNLGLEE-MRVPVSSYSA-N 1 0 347.596 3.226 20 5 EGBDRO C[C@@H]1C[NH2+]CC[C@H]1Oc1c(Br)cc(Cl)cc1[N+](=O)[O-] ZINC001218426395 1373610668 /nfs/dbraw/zinc/61/06/68/1373610668.db2.gz WSWVOSVSKMLJFS-RDDDGLTNSA-N 1 0 349.612 3.388 20 5 EGBDRO CCC(C)(C)c1cc([N+](=O)[O-])c(O[C@@H]2[C@@H]3CC[C@H]2[NH2+]C3)c([N+](=O)[O-])c1 ZINC001218446013 1373613734 /nfs/dbraw/zinc/61/37/34/1373613734.db2.gz FGFGDBRWIGDZJV-IXPVHAAZSA-N 1 0 349.387 3.320 20 5 EGBDRO O=[N+]([O-])c1cc(O[C@H]2C[NH2+]CCC2(F)F)c(Cl)cc1Cl ZINC001218447408 1373614466 /nfs/dbraw/zinc/61/44/66/1373614466.db2.gz GPULLYHAIYYVMI-JTQLQIEISA-N 1 0 327.114 3.278 20 5 EGBDRO O=[N+]([O-])c1ccc(O[C@H]2C[NH2+]CCC2(F)F)c(Cl)c1Cl ZINC001218452728 1373616340 /nfs/dbraw/zinc/61/63/40/1373616340.db2.gz DZIZDPGCRSFLMJ-QMMMGPOBSA-N 1 0 327.114 3.278 20 5 EGBDRO CCCCC(=O)NCC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001222405210 1373839704 /nfs/dbraw/zinc/83/97/04/1373839704.db2.gz ZJXOUMMPSKTJOR-UHFFFAOYSA-N 1 0 333.432 3.113 20 5 EGBDRO Cc1cc([N+](=O)[O-])cnc1OC1CC[NH+](CCc2ccccc2)CC1 ZINC001226764223 1375329312 /nfs/dbraw/zinc/32/93/12/1375329312.db2.gz HCRMMGVBWZIXHK-UHFFFAOYSA-N 1 0 341.411 3.384 20 5 EGBDRO O=[N+]([O-])c1ccc(Cl)c(O[C@H]2CC[C@H]([NH+]3CCOCC3)CC2)c1 ZINC001226810072 1375340414 /nfs/dbraw/zinc/34/04/14/1375340414.db2.gz KHZXGPIOJWYMDA-MQMHXKEQSA-N 1 0 340.807 3.270 20 5 EGBDRO CC(C)[N@@H+]1CCC[C@@H](Oc2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC001227218969 1375408020 /nfs/dbraw/zinc/40/80/20/1375408020.db2.gz GECRBZQCDRLVMT-CYBMUJFWSA-N 1 0 331.372 3.100 20 5 EGBDRO Cc1ccc(O[C@H]2CCC[N@@H+]([C@@H](C)c3ccccn3)C2)c([N+](=O)[O-])n1 ZINC001227223904 1375408843 /nfs/dbraw/zinc/40/88/43/1375408843.db2.gz QXNSVEBSLWJKSC-GJZGRUSLSA-N 1 0 342.399 3.298 20 5 EGBDRO Cc1ccc(O[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c([N+](=O)[O-])n1 ZINC001227223475 1375408968 /nfs/dbraw/zinc/40/89/68/1375408968.db2.gz LSTAAWRXJXNOPL-GUYCJALGSA-N 1 0 327.384 3.198 20 5 EGBDRO Cc1nc(Cl)nc(OC2CC(C)(C)[NH+](C)C(C)(C)C2)c1[N+](=O)[O-] ZINC001227341202 1375421348 /nfs/dbraw/zinc/42/13/48/1375421348.db2.gz VHQONUGMQROLLY-UHFFFAOYSA-N 1 0 342.827 3.377 20 5 EGBDRO C[C@@H](C[N+](C)(C)C)Oc1cc(/C=C/c2cc(O)cc(O)c2)ccc1O ZINC001228380350 1375560772 /nfs/dbraw/zinc/56/07/72/1375560772.db2.gz ZETQAKFCEVGHJQ-GJBLVYBDSA-O 1 0 344.431 3.447 20 5 EGBDRO C=C/C(C)=C/CC(=O)NC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001228701709 1375645098 /nfs/dbraw/zinc/64/50/98/1375645098.db2.gz FDFBTHSNXNOXCX-VIZOYTHASA-N 1 0 343.427 3.198 20 5 EGBDRO C[C@H](C[N+](C)(C)C)Oc1ccc2c(c1)N(C(=O)OC(C)(C)C)CC2 ZINC001229177479 1375780988 /nfs/dbraw/zinc/78/09/88/1375780988.db2.gz IYDHQPDSMXDJSX-CQSZACIVSA-N 1 0 335.468 3.458 20 5 EGBDRO CCOC(=O)c1c(O)cc2ccccc2c1O[C@@H](C)C[N+](C)(C)C ZINC001229500191 1375847538 /nfs/dbraw/zinc/84/75/38/1375847538.db2.gz BMISFFWKNCSWAV-ZDUSSCGKSA-O 1 0 332.420 3.196 20 5 EGBDRO C[N@@H+]1CCC[C@@H](Oc2c(F)cc([N+](=O)[O-])cc2Br)CC1 ZINC001229898955 1375915557 /nfs/dbraw/zinc/91/55/57/1375915557.db2.gz NMDXOTGZDBEBLL-SNVBAGLBSA-N 1 0 347.184 3.360 20 5 EGBDRO Cc1cc(O[C@H]2CC[C@@H]([NH+]3CCOCC3)CC2)cc([N+](=O)[O-])c1C ZINC001230476702 1376035428 /nfs/dbraw/zinc/03/54/28/1376035428.db2.gz CZSWZLIKCAZQSL-IYBDPMFKSA-N 1 0 334.416 3.234 20 5 EGBDRO C[C@H](C[N+](C)(C)C)Oc1ncnc2cc(OC(F)(F)F)ccc21 ZINC001231025926 1376194730 /nfs/dbraw/zinc/19/47/30/1376194730.db2.gz ZBQQNSJWRCRONJ-SNVBAGLBSA-N 1 0 330.330 3.002 20 5 EGBDRO Cc1ccc(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)c(Cl)c1 ZINC001134164664 1376395504 /nfs/dbraw/zinc/39/55/04/1376395504.db2.gz BOJHDFLVYUTJHK-UHFFFAOYSA-N 1 0 347.802 3.076 20 5 EGBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc(Cl)cc1-c1ccccc1 ZINC001234326928 1376811238 /nfs/dbraw/zinc/81/12/38/1376811238.db2.gz GAGITTTYQHXKFE-MRXNPFEDSA-N 1 0 348.850 3.370 20 5 EGBDRO Cc1cc(C)c(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)c(C)c1 ZINC001150164351 1379505912 /nfs/dbraw/zinc/50/59/12/1379505912.db2.gz SJQNNBDREHJSCV-UHFFFAOYSA-N 1 0 341.411 3.040 20 5 EGBDRO CCc1cc(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)sc1C ZINC001150387658 1379544485 /nfs/dbraw/zinc/54/44/85/1379544485.db2.gz MGVYWSZMGOKTSQ-UHFFFAOYSA-N 1 0 347.440 3.047 20 5 EGBDRO O=C(CC1CCCCC1)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001154406878 1380271535 /nfs/dbraw/zinc/27/15/35/1380271535.db2.gz MJZAESUFYKSDIN-UHFFFAOYSA-N 1 0 333.432 3.161 20 5 EGBDRO C[C@H]1C[NH2+]CCC[C@@H]1CNc1nc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001155022876 1380393449 /nfs/dbraw/zinc/39/34/49/1380393449.db2.gz BTMPPHHXDLPAFN-DTWKUNHWSA-N 1 0 333.219 3.344 20 5 EGBDRO C[C@@H]1C[NH2+]CCC[C@H]1CNc1nc(Cl)c(Cl)cc1[N+](=O)[O-] ZINC001155025706 1380393946 /nfs/dbraw/zinc/39/39/46/1380393946.db2.gz PZOVCSAHWAXNTH-BDAKNGLRSA-N 1 0 333.219 3.344 20 5 EGBDRO C[C@H]1C[NH2+]CCC[C@H]1CNc1ccc(-c2ccc([N+](=O)[O-])cc2)nn1 ZINC001155028466 1380394512 /nfs/dbraw/zinc/39/45/12/1380394512.db2.gz ADYOGDLAMBWQKR-ZFWWWQNUSA-N 1 0 341.415 3.099 20 5 EGBDRO [NH3+]Cc1nn(-c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)c2ccccc12 ZINC001156865149 1380707287 /nfs/dbraw/zinc/70/72/87/1380707287.db2.gz RACDZQWQMQTODP-UHFFFAOYSA-N 1 0 345.362 3.454 20 5 EGBDRO C[C@H]1CCCC[N@@H+]1CCCNc1nc(Cl)nc(Cl)c1[N+](=O)[O-] ZINC001156929577 1380732134 /nfs/dbraw/zinc/73/21/34/1380732134.db2.gz YWOLFFAQHIZFOU-VIFPVBQESA-N 1 0 348.234 3.368 20 5 EGBDRO CC(C)[N@H+](C)[C@@H]1CCN(c2nc(Cl)nc3ccc([N+](=O)[O-])cc32)C1 ZINC001157008999 1380750092 /nfs/dbraw/zinc/75/00/92/1380750092.db2.gz CYDQJDZUBJTTEB-GFCCVEGCSA-N 1 0 349.822 3.110 20 5 EGBDRO [NH3+]CCc1cn(-c2nc3ccccc3cc2[N+](=O)[O-])c2ccc(O)cc12 ZINC001157220298 1380815455 /nfs/dbraw/zinc/81/54/55/1380815455.db2.gz KNWROKLVMCEZAB-UHFFFAOYSA-N 1 0 348.362 3.294 20 5 EGBDRO O=[N+]([O-])c1ccc2ccnc(N3CCCC[C@@]34CCC[NH2+]C4)c2c1 ZINC001157472955 1380926609 /nfs/dbraw/zinc/92/66/09/1380926609.db2.gz NPWAVIPEAZCHPS-SFHVURJKSA-N 1 0 326.400 3.256 20 5 EGBDRO C[NH+](C)CC(C)(C)CNc1nc(Cl)nc2ccc([N+](=O)[O-])cc21 ZINC001157942195 1381076476 /nfs/dbraw/zinc/07/64/76/1381076476.db2.gz RFUVTPFQZVTBNR-UHFFFAOYSA-N 1 0 337.811 3.191 20 5 EGBDRO Cc1nc(Cl)nc(N[C@@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)c1[N+](=O)[O-] ZINC001158265384 1381178370 /nfs/dbraw/zinc/17/83/70/1381178370.db2.gz GSGVPUZNGVLENZ-MEBBXXQBSA-N 1 0 341.843 3.302 20 5 EGBDRO C[C@@]1(C[NH3+])CCCN(c2nc3ccccc3c(Cl)c2[N+](=O)[O-])C1 ZINC001158676176 1381347529 /nfs/dbraw/zinc/34/75/29/1381347529.db2.gz XNRVAVWLOAPWOJ-INIZCTEOSA-N 1 0 334.807 3.362 20 5 EGBDRO Cc1c(C(=O)O[C@@H](C)c2ccccc2[N+](=O)[O-])ccc2c[nH+]cn21 ZINC001288218991 1381733118 /nfs/dbraw/zinc/73/31/18/1381733118.db2.gz JKJJHZBSBMDYAD-LBPRGKRZSA-N 1 0 325.324 3.469 20 5 EGBDRO O=[N+]([O-])/C=C/c1ccc(Nc2cccnc2OC2CC[NH2+]CC2)cc1 ZINC001159243562 1381742719 /nfs/dbraw/zinc/74/27/19/1381742719.db2.gz QESYLIQZLTYCIK-UKTHLTGXSA-N 1 0 340.383 3.203 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1Nc1ccc(O[C@@H]2CC[NH2+]C2)cc1 ZINC001159924745 1381939692 /nfs/dbraw/zinc/93/96/92/1381939692.db2.gz XEFHNKPSNMRJRN-OAHLLOKOSA-N 1 0 329.356 3.088 20 5 EGBDRO [NH3+][C@H]1CCCN(c2ccc(Nc3cccc([N+](=O)[O-])c3F)cc2)C1 ZINC001159982691 1381958486 /nfs/dbraw/zinc/95/84/86/1381958486.db2.gz VRIQFVQPLJJOTJ-LBPRGKRZSA-N 1 0 330.363 3.405 20 5 EGBDRO Cc1ccc(Nc2ccccc2CN2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC001160298927 1382066021 /nfs/dbraw/zinc/06/60/21/1382066021.db2.gz LNFJUGZZZZOKOG-UHFFFAOYSA-N 1 0 326.400 3.052 20 5 EGBDRO [NH3+]Cc1ccc(Nc2cc(Cl)nc3ccc([N+](=O)[O-])cc32)cn1 ZINC001160402510 1382095578 /nfs/dbraw/zinc/09/55/78/1382095578.db2.gz SGIMGULDKNDMOP-UHFFFAOYSA-N 1 0 329.747 3.394 20 5 EGBDRO COc1cc(Nc2ccc(C[NH3+])cc2C(F)(F)F)ncc1[N+](=O)[O-] ZINC001160418610 1382099377 /nfs/dbraw/zinc/09/93/77/1382099377.db2.gz FHKBDNZHEMNZJM-UHFFFAOYSA-N 1 0 342.277 3.220 20 5 EGBDRO CC(C)(C)OC(=O)c1ccc(N[C@@H]2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC001162399740 1382747553 /nfs/dbraw/zinc/74/75/53/1382747553.db2.gz DGUFYFOYCFRZKK-NWDGAFQWSA-N 1 0 335.404 3.232 20 5 EGBDRO C[C@@H]1C[NH2+]CCC[C@@H]1CNc1ccc2cc(F)cc([N+](=O)[O-])c2n1 ZINC001162455888 1382762065 /nfs/dbraw/zinc/76/20/65/1382762065.db2.gz FYMHJFANGHGMFR-DGCLKSJQSA-N 1 0 332.379 3.330 20 5 EGBDRO C[C@H]1C[NH2+]CCC[C@H]1CNc1nc2cc([N+](=O)[O-])ccc2nc1Cl ZINC001162459265 1382762332 /nfs/dbraw/zinc/76/23/32/1382762332.db2.gz COGKCMKLCJROBL-QWRGUYRKSA-N 1 0 349.822 3.239 20 5 EGBDRO C[C@H]([NH3+])c1nc2ccccc2n1-c1ccc(N(C)C)cc1[N+](=O)[O-] ZINC001162778056 1382869114 /nfs/dbraw/zinc/86/91/14/1382869114.db2.gz XMQBCRSGZCLHAF-NSHDSACASA-N 1 0 325.372 3.019 20 5 EGBDRO CC(C)(C)[C@H]1CC[C@@H](Nc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)CC1 ZINC001162869863 1382900146 /nfs/dbraw/zinc/90/01/46/1382900146.db2.gz YICOBYFBGDWDBB-BETUJISGSA-N 1 0 333.436 3.088 20 5 EGBDRO CC(C)N(c1ccc(-c2ccc(F)c([N+](=O)[O-])c2)nn1)C(C)(C)C[NH3+] ZINC001163189390 1382988399 /nfs/dbraw/zinc/98/83/99/1382988399.db2.gz QVHYPSOQTONCTA-UHFFFAOYSA-N 1 0 347.394 3.143 20 5 EGBDRO c1cnc2c(c1)cc(NC[C@H]1CO[C@@]3(C1)CCC[NH2+]C3)c1cccnc12 ZINC001163284121 1383012756 /nfs/dbraw/zinc/01/27/56/1383012756.db2.gz KJASGEFKNQCOIF-YCRPNKLZSA-N 1 0 348.450 3.354 20 5 EGBDRO COc1cccc([C@H](C[NH3+])Nc2nc(C)cc(Cl)c2[N+](=O)[O-])c1 ZINC001163306939 1383017290 /nfs/dbraw/zinc/01/72/90/1383017290.db2.gz UHBSUDXVJNADFO-ZDUSSCGKSA-N 1 0 336.779 3.072 20 5 EGBDRO CC(C)(C)CC(=O)NCCC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001163447068 1383053152 /nfs/dbraw/zinc/05/31/52/1383053152.db2.gz GILXJWGXEREXGG-UHFFFAOYSA-N 1 0 347.459 3.407 20 5 EGBDRO C[NH+](C)Cc1cccc(CNc2ccc3nc[nH]c3c2[N+](=O)[O-])c1 ZINC001163998665 1383144624 /nfs/dbraw/zinc/14/46/24/1383144624.db2.gz IJEDMOKYGBMCPT-UHFFFAOYSA-N 1 0 325.372 3.145 20 5 EGBDRO O=C(NCCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1ccoc1C1CC1 ZINC001164604272 1383206338 /nfs/dbraw/zinc/20/63/38/1383206338.db2.gz GRSVHQOWIFLDRR-UHFFFAOYSA-N 1 0 349.412 3.036 20 5 EGBDRO CC(C)[NH+]1CCC(CNc2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC001166616209 1383447833 /nfs/dbraw/zinc/44/78/33/1383447833.db2.gz VGFOXUZAJBCAJG-UHFFFAOYSA-N 1 0 335.433 3.132 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(NC[C@@H](c2ccccc2)[NH+]2CCCC2)n1 ZINC001166864386 1383489418 /nfs/dbraw/zinc/48/94/18/1383489418.db2.gz AGLLYAUCMWNPPL-INIZCTEOSA-N 1 0 342.399 3.247 20 5 EGBDRO COC(=O)c1cc(NCCC[N@@H+]2CCCC[C@H]2C)cc([N+](=O)[O-])c1 ZINC001167754348 1383731487 /nfs/dbraw/zinc/73/14/87/1383731487.db2.gz WNPNQTSBFVLOPU-CYBMUJFWSA-N 1 0 335.404 3.058 20 5 EGBDRO O=[N+]([O-])c1cc2c(cc1N[C@H](c1ccccn1)C(F)(F)F)C[NH2+]C2 ZINC001168487498 1383920895 /nfs/dbraw/zinc/92/08/95/1383920895.db2.gz RAKFCKDLKIGOTQ-CQSZACIVSA-N 1 0 338.289 3.309 20 5 EGBDRO [NH3+]Cc1ccc2ncn(-c3ccc([N+](=O)[O-])cc3C(F)(F)F)c2c1 ZINC001168845011 1384032553 /nfs/dbraw/zinc/03/25/53/1384032553.db2.gz YILWRHWHTXALFE-UHFFFAOYSA-N 1 0 336.273 3.411 20 5 EGBDRO C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CCN1Cc1ccccc1 ZINC001168966012 1384072411 /nfs/dbraw/zinc/07/24/11/1384072411.db2.gz FRJRVIHEZXKRIP-XGXHKWSGSA-N 1 0 331.460 3.075 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CCCc2ccccc2Br)C1 ZINC001168978783 1384077812 /nfs/dbraw/zinc/07/78/12/1384077812.db2.gz UEOLGWJLXIRHBJ-GXTWGEPZSA-N 1 0 341.249 3.417 20 5 EGBDRO O=C1CCCCCN1c1cccc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001168991472 1384081127 /nfs/dbraw/zinc/08/11/27/1384081127.db2.gz HFPMHVRZQHVYEJ-IAGOWNOFSA-N 1 0 345.443 3.129 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]C2(c3ccc(Cl)cc3)CCOCC2)C1 ZINC001168998259 1384082497 /nfs/dbraw/zinc/08/24/97/1384082497.db2.gz KOICPZVCCQOVIO-BBRMVZONSA-N 1 0 338.835 3.381 20 5 EGBDRO CC(C)(C)OC(=O)C1(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CCCCC1 ZINC001169002297 1384084128 /nfs/dbraw/zinc/08/41/28/1384084128.db2.gz KHQIGBZIPWZHNR-CABCVRRESA-N 1 0 340.464 3.314 20 5 EGBDRO O=C(c1ccc(F)cc1)C1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169005352 1384084723 /nfs/dbraw/zinc/08/47/23/1384084723.db2.gz BBWXKYMYTKQLMI-GUYCJALGSA-N 1 0 334.391 3.166 20 5 EGBDRO CC(C)(C)OC(=O)Cc1cccc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001169007265 1384086183 /nfs/dbraw/zinc/08/61/83/1384086183.db2.gz MDDWFPZCUVEDAJ-IRXDYDNUSA-N 1 0 348.443 3.106 20 5 EGBDRO COc1cccc(-c2nc(C[NH2+][C@H]3CC[C@H](C[N+](=O)[O-])C3)cs2)c1 ZINC001169008717 1384087257 /nfs/dbraw/zinc/08/72/57/1384087257.db2.gz UJAKANHKPOSKCY-JSGCOSHPSA-N 1 0 347.440 3.354 20 5 EGBDRO C[N@H+](Cc1cccc(Br)c1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169011675 1384088692 /nfs/dbraw/zinc/08/86/92/1384088692.db2.gz MBNAZZPNJFPXET-OCCSQVGLSA-N 1 0 327.222 3.326 20 5 EGBDRO COc1ccc([C@@H]2CCC[N@@H+]2[C@@H]2CC[C@H](C[N+](=O)[O-])C2)cc1OC ZINC001169030309 1384094827 /nfs/dbraw/zinc/09/48/27/1384094827.db2.gz YKPWXZZGAJIVHU-IMJJTQAJSA-N 1 0 334.416 3.286 20 5 EGBDRO Cn1c2ccccc2nc1C1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169039877 1384098449 /nfs/dbraw/zinc/09/84/49/1384098449.db2.gz VECDSYFHLLXFFM-ZBFHGGJFSA-N 1 0 342.443 3.198 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CC3(CC(OCc4ccccc4)C3)C2)C1 ZINC001169039916 1384098619 /nfs/dbraw/zinc/09/86/19/1384098619.db2.gz VTIVMKXJDCGVSU-IRXDYDNUSA-N 1 0 330.428 3.113 20 5 EGBDRO CN(Cc1ccc(F)cc1)C1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169049139 1384100506 /nfs/dbraw/zinc/10/05/06/1384100506.db2.gz VZMXLPZCCOBEHL-LPHOPBHVSA-N 1 0 349.450 3.167 20 5 EGBDRO COC(=O)c1ccc([C@H]2CCCC[N@@H+]2[C@@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001169048736 1384100841 /nfs/dbraw/zinc/10/08/41/1384100841.db2.gz BFBPADJPWDQOKN-BMGDILEWSA-N 1 0 346.427 3.446 20 5 EGBDRO CN1Cc2cc(N[C@@H]3CC(C)(C)C[C@](C)(C[NH3+])C3)cc([N+](=O)[O-])c2N1 ZINC001169145217 1384114277 /nfs/dbraw/zinc/11/42/77/1384114277.db2.gz CSAOHFYMZBKRSN-RDTXWAMCSA-N 1 0 347.463 3.323 20 5 EGBDRO Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1cc([N+](=O)[O-])c2nccn2c1 ZINC001169699467 1384175044 /nfs/dbraw/zinc/17/50/44/1384175044.db2.gz ZDMRFIWRAITJKA-OAHLLOKOSA-N 1 0 337.383 3.483 20 5 EGBDRO COc1ccc(C[C@@H](C)n2cnc3ccc(C[NH3+])cc32)c([N+](=O)[O-])c1 ZINC001170306548 1384287066 /nfs/dbraw/zinc/28/70/66/1384287066.db2.gz XJNKPDCRFALZEU-GFCCVEGCSA-N 1 0 340.383 3.216 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+][C@@H]2CCc3ncccc32)c([N+](=O)[O-])c1 ZINC001170313824 1384288286 /nfs/dbraw/zinc/28/82/86/1384288286.db2.gz RPOJMGKOQAPWNW-YVEFUNNKSA-N 1 0 327.384 3.207 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2cncc(Cl)c2)c([N+](=O)[O-])c1 ZINC001170312656 1384288397 /nfs/dbraw/zinc/28/83/97/1384288397.db2.gz GQGNKJSVGVDBGW-LLVKDONJSA-N 1 0 335.791 3.373 20 5 EGBDRO COc1ccc(C[C@@H](C)n2cc3ccc(C[NH3+])cc3n2)c([N+](=O)[O-])c1 ZINC001170314552 1384289416 /nfs/dbraw/zinc/28/94/16/1384289416.db2.gz WIFSSMFIAPGKQO-GFCCVEGCSA-N 1 0 340.383 3.216 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+][C@](C)(CO)c2ccccc2)c([N+](=O)[O-])c1 ZINC001170317717 1384289799 /nfs/dbraw/zinc/28/97/99/1384289799.db2.gz KDTNNPAMLAYXLE-IFXJQAMLSA-N 1 0 344.411 3.032 20 5 EGBDRO COc1ccc(C[C@@H](C)[N@H+](CCO)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC001170327127 1384291951 /nfs/dbraw/zinc/29/19/51/1384291951.db2.gz FBFROVWZKBLUPQ-OAHLLOKOSA-N 1 0 344.411 3.029 20 5 EGBDRO COc1ccc(C[C@H](C)[N@H+](C)CCc2ccccn2)c([N+](=O)[O-])c1 ZINC001170329052 1384292953 /nfs/dbraw/zinc/29/29/53/1384292953.db2.gz NQZHERNHCUQPQV-AWEZNQCLSA-N 1 0 329.400 3.104 20 5 EGBDRO COc1ccc(C[C@H](C)[N@@H+]2CC[C@]3(C2)CCCCO3)c([N+](=O)[O-])c1 ZINC001170334478 1384293790 /nfs/dbraw/zinc/29/37/90/1384293790.db2.gz FLHHERIGBRYFHS-KSSFIOAISA-N 1 0 334.416 3.179 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH+]2CCC(OC(C)C)CC2)c([N+](=O)[O-])c1 ZINC001170347062 1384296879 /nfs/dbraw/zinc/29/68/79/1384296879.db2.gz PUOKUCOWUVWZKU-CQSZACIVSA-N 1 0 336.432 3.424 20 5 EGBDRO COc1nc(C)c(NC2CC(C)(C)[NH+](C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC001170450623 1384322111 /nfs/dbraw/zinc/32/21/11/1384322111.db2.gz CXCZKRYUXUYMSP-UHFFFAOYSA-N 1 0 336.436 3.370 20 5 EGBDRO O=[N+]([O-])c1cc(F)cc(Br)c1NC[C@@H]1CCCC[NH2+]1 ZINC001171329373 1384495711 /nfs/dbraw/zinc/49/57/11/1384495711.db2.gz JBHURXZGBLLGSQ-VIFPVBQESA-N 1 0 332.173 3.050 20 5 EGBDRO Cc1ccc(C[NH3+])nc1N(C)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172895614 1384873458 /nfs/dbraw/zinc/87/34/58/1384873458.db2.gz GIJUYGYZLJLOCN-KRWDZBQOSA-N 1 0 340.427 3.141 20 5 EGBDRO CCCCC[C@H]([NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1)C(=O)NC ZINC001172901417 1384874266 /nfs/dbraw/zinc/87/42/66/1384874266.db2.gz IDBJLRMDLNSSCM-WMZOPIPTSA-N 1 0 347.459 3.127 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH+]1CCC3(C[C@@H]3CCO)CC1)CC2 ZINC001172904207 1384875137 /nfs/dbraw/zinc/87/51/37/1384875137.db2.gz MARPHDCEEYIQKN-ROUUACIJSA-N 1 0 344.455 3.327 20 5 EGBDRO CCCc1cc(C[NH3+])nn1[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172903887 1384875151 /nfs/dbraw/zinc/87/51/51/1384875151.db2.gz TUQKLPBYCQWPRC-MRXNPFEDSA-N 1 0 328.416 3.323 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]C[C@H]1COc3cnccc31)CC2 ZINC001172905740 1384875453 /nfs/dbraw/zinc/87/54/53/1384875453.db2.gz KEGPINHISGTFJN-JKSUJKDBSA-N 1 0 339.395 3.003 20 5 EGBDRO COC(=O)CC1CC(C[NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172910323 1384875801 /nfs/dbraw/zinc/87/58/01/1384875801.db2.gz XOHBRMDHEKNANO-MQBCKMQZSA-N 1 0 346.427 3.021 20 5 EGBDRO CC1(C)C[C@H]([NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C(C)(C)N1O ZINC001172912084 1384876304 /nfs/dbraw/zinc/87/63/04/1384876304.db2.gz LOUYHZKYVCSGES-RDJZCZTQSA-N 1 0 347.459 3.453 20 5 EGBDRO CC1(C)C[C@@H]([NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C(C)(C)N1O ZINC001172912082 1384876454 /nfs/dbraw/zinc/87/64/54/1384876454.db2.gz LOUYHZKYVCSGES-DOTOQJQBSA-N 1 0 347.459 3.453 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1CC[C@@H](N3CCCCC3)C1)CC2 ZINC001172915071 1384877417 /nfs/dbraw/zinc/87/74/17/1384877417.db2.gz KZFTYBRXGHBZNB-AZUAARDMSA-N 1 0 343.471 3.402 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H](N1CC([NH+]3CCCCC3)C1)CC2 ZINC001172921669 1384880190 /nfs/dbraw/zinc/88/01/90/1384880190.db2.gz QPMCIDLBHNAHKF-QGZVFWFLSA-N 1 0 329.444 3.012 20 5 EGBDRO C[C@H]([NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1)C1CC1 ZINC001173005759 1384896975 /nfs/dbraw/zinc/89/69/75/1384896975.db2.gz JTWHBEROOBSQMS-JTQLQIEISA-N 1 0 325.359 3.230 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]Cc2cncc(C)c2)c1F ZINC001173174779 1384930725 /nfs/dbraw/zinc/93/07/25/1384930725.db2.gz BRGNMKCCQVTBAT-GFCCVEGCSA-N 1 0 333.363 3.167 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N(C(N)=[NH2+])c2ccccc2)c1F ZINC001173190226 1384933501 /nfs/dbraw/zinc/93/35/01/1384933501.db2.gz WHDCIOZNWVFGKQ-LLVKDONJSA-N 1 0 346.362 3.074 20 5 EGBDRO COCC1CC[NH+]([C@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])CC1 ZINC001173186764 1384933672 /nfs/dbraw/zinc/93/36/72/1384933672.db2.gz UHNMEPGPHYJHAP-GFCCVEGCSA-N 1 0 340.395 3.032 20 5 EGBDRO COc1ccc(OCC[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001173214603 1384937164 /nfs/dbraw/zinc/93/71/64/1384937164.db2.gz PVIISNJTWBMCLZ-AWEZNQCLSA-N 1 0 330.384 3.203 20 5 EGBDRO COC(=O)[C@H]1CC[C@H](C[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173222210 1384938042 /nfs/dbraw/zinc/93/80/42/1384938042.db2.gz VGFFONSDZUJOIL-BPUTZDHNSA-N 1 0 334.416 3.095 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2cc(CO)ccc2C1 ZINC001173220951 1384938120 /nfs/dbraw/zinc/93/81/20/1384938120.db2.gz DKNVGBWGNGYWKD-AWEZNQCLSA-N 1 0 326.396 3.076 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCc2ccc(O)cc2C1 ZINC001173219578 1384938145 /nfs/dbraw/zinc/93/81/45/1384938145.db2.gz OBYIRFHGLFHNBM-CXAGYDPISA-N 1 0 326.396 3.379 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC001173227644 1384939998 /nfs/dbraw/zinc/93/99/98/1384939998.db2.gz RQEJOBDVJKCHFV-DZGCQCFKSA-N 1 0 334.416 3.189 20 5 EGBDRO CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+]([C@@H](C)Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001173228885 1384940569 /nfs/dbraw/zinc/94/05/69/1384940569.db2.gz ZSSWYGRCVRRCHC-ZYSHUDEJSA-N 1 0 348.443 3.186 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](Oc2ccncc2)C1 ZINC001173231962 1384941390 /nfs/dbraw/zinc/94/13/90/1384941390.db2.gz DQNTXAHGRKOBLL-KSSFIOAISA-N 1 0 327.384 3.074 20 5 EGBDRO C[NH+]1CCN(Cc2cccc(Nc3cc([N+](=O)[O-])ccc3F)c2)CC1 ZINC001175738341 1385391175 /nfs/dbraw/zinc/39/11/75/1385391175.db2.gz JTERPJZHIQFHKV-UHFFFAOYSA-N 1 0 344.390 3.225 20 5 EGBDRO CCc1ccsc1C(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001176839587 1385720991 /nfs/dbraw/zinc/72/09/91/1385720991.db2.gz XNZDIXBDTKGSMG-UHFFFAOYSA-N 1 0 347.440 3.128 20 5 EGBDRO CC1(C)CCC(C(=O)NCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001177160482 1385839370 /nfs/dbraw/zinc/83/93/70/1385839370.db2.gz HWWRWLYSBXXQJX-UHFFFAOYSA-N 1 0 347.459 3.407 20 5 EGBDRO CCC[C@@H]([NH2+][C@H](C)C(=O)NCC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC001319849662 1386333854 /nfs/dbraw/zinc/33/38/54/1386333854.db2.gz RYBOJSMXIDCESR-ZWNOBZJWSA-N 1 0 347.337 3.093 20 5 EGBDRO COC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC001321867244 1387000253 /nfs/dbraw/zinc/00/02/53/1387000253.db2.gz KFXBVIRNXMRJJH-HOTGVXAUSA-N 1 0 344.367 3.286 20 5 EGBDRO C[C@@H]1CCCN(c2ncnc3c(Cl)cc([N+](=O)[O-])cc32)[C@@H]1CC[NH3+] ZINC001329734560 1389212943 /nfs/dbraw/zinc/21/29/43/1389212943.db2.gz NOLVIDZGEKKDKJ-QMTHXVAHSA-N 1 0 349.822 3.145 20 5 EGBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC001336993547 1389230405 /nfs/dbraw/zinc/23/04/05/1389230405.db2.gz LCLFEJOXVZLANG-MRXNPFEDSA-N 1 0 348.447 3.047 20 5 EGBDRO C[C@@H](Nc1ncnc2c(Cl)cc([N+](=O)[O-])cc12)C1=CC[N@H+](C)CC1 ZINC001330652957 1389484640 /nfs/dbraw/zinc/48/46/40/1389484640.db2.gz MQTSHQOMYGDBDE-SNVBAGLBSA-N 1 0 347.806 3.254 20 5 EGBDRO CS[C@H]1CC[C@@H]([N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001331329252 1389704127 /nfs/dbraw/zinc/70/41/27/1389704127.db2.gz AGJOGGUGOPNRSE-CABCVRRESA-N 1 0 337.445 3.139 20 5 EGBDRO C[NH+](C)C[C@@H]1CCCN(c2cccc(C(F)(F)F)c2[N+](=O)[O-])C1 ZINC001331540896 1389790465 /nfs/dbraw/zinc/79/04/65/1389790465.db2.gz GDTICUMGUHXZNE-NSHDSACASA-N 1 0 331.338 3.392 20 5 EGBDRO CC(C)(C)[NH+]1CCC(NC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)CC1 ZINC001333502106 1390320189 /nfs/dbraw/zinc/32/01/89/1390320189.db2.gz IHQATOUBCQSHCT-UHFFFAOYSA-N 1 0 338.383 3.118 20 5 EGBDRO Cc1cc(NC(=O)N2CCC[N@@H+](C3CCCC3)CC2)cc([N+](=O)[O-])c1 ZINC001344874498 1390820907 /nfs/dbraw/zinc/82/09/07/1390820907.db2.gz DCEMXUTYURQDTL-UHFFFAOYSA-N 1 0 346.431 3.385 20 5 EGBDRO C[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])c3ccccc23)C1 ZINC001345466614 1390861245 /nfs/dbraw/zinc/86/12/45/1390861245.db2.gz RARARRPNLVDBGC-ZDUSSCGKSA-N 1 0 342.399 3.211 20 5 EGBDRO CC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])c3ccccc23)C1 ZINC001345940056 1390895805 /nfs/dbraw/zinc/89/58/05/1390895805.db2.gz WVKZZTVOJYOTFY-ZDUSSCGKSA-N 1 0 342.399 3.211 20 5 EGBDRO C[NH+](C)[C@@H]1CCC[C@@H](Nc2ncnc3c(Cl)cc([N+](=O)[O-])cc23)C1 ZINC001347219612 1391030943 /nfs/dbraw/zinc/03/09/43/1391030943.db2.gz KYNWRURFDPDDJU-GHMZBOCLSA-N 1 0 349.822 3.476 20 5 EGBDRO O=[N+]([O-])c1cn(C[N@@H+]2CC[C@H]3CCCC[C@@H]3C2)nc1-c1ccccn1 ZINC001350479494 1391469402 /nfs/dbraw/zinc/46/94/02/1391469402.db2.gz HWJINKJHBSILQS-HUUCEWRRSA-N 1 0 341.415 3.323 20 5 EGBDRO O=[N+]([O-])c1cn(C[N@@H+]2CC[C@H]3CCCC[C@H]3C2)nc1-c1ccccn1 ZINC001350479489 1391469570 /nfs/dbraw/zinc/46/95/70/1391469570.db2.gz HWJINKJHBSILQS-CABCVRRESA-N 1 0 341.415 3.323 20 5 EGBDRO CC[C@H](C)[NH+]1CCN(c2ncnc3c(Cl)cc([N+](=O)[O-])cc32)CC1 ZINC001350489947 1391470794 /nfs/dbraw/zinc/47/07/94/1391470794.db2.gz APSWBDJRHVJVSL-NSHDSACASA-N 1 0 349.822 3.112 20 5 EGBDRO C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)[C@@H]1CCC[NH3+] ZINC001354298346 1392136898 /nfs/dbraw/zinc/13/68/98/1392136898.db2.gz RIRSGLJBNZNOTB-BVPBIZIASA-N 1 0 345.443 3.064 20 5 EGBDRO CCC[N@H+](CCNC(=O)c1cocc1C)Cc1cccc([N+](=O)[O-])c1 ZINC001753147086 1440324895 /nfs/dbraw/zinc/32/48/95/1440324895.db2.gz RWEXTCUXTLYJDN-UHFFFAOYSA-N 1 0 345.399 3.138 20 5 EGBDRO CC(C)(C)/C=C\C(=O)NCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001753152865 1440329303 /nfs/dbraw/zinc/32/93/03/1440329303.db2.gz QGQDJLUFVTWFAU-KHPPLWFESA-N 1 0 345.443 3.278 20 5 EGBDRO CCCCC(=O)NC1(C)CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001754624356 1440645941 /nfs/dbraw/zinc/64/59/41/1440645941.db2.gz LHCXNGSUYAMKPD-UHFFFAOYSA-N 1 0 333.432 3.256 20 5 EGBDRO CN(CCC[N@H+](C)Cc1ccccc1[N+](=O)[O-])C(=O)/C=C\C(C)(C)C ZINC001755035484 1440734109 /nfs/dbraw/zinc/73/41/09/1440734109.db2.gz USLSXUSSNTUJMX-QXMHVHEDSA-N 1 0 347.459 3.477 20 5 EGBDRO C[NH+](C)[C@@H]1CCCN(c2cc3ccc(Cl)nc3cc2[N+](=O)[O-])C1 ZINC001165037950 721899060 /nfs/dbraw/zinc/89/90/60/721899060.db2.gz OVHLIRSFZVUMGL-GFCCVEGCSA-N 1 0 334.807 3.327 20 5 EGBDRO c1cnc2c(c1)ccc1ccc(N3CC[NH+](C[C@H]4CCCO4)CC3)nc12 ZINC001165040102 721904665 /nfs/dbraw/zinc/90/46/65/721904665.db2.gz YIRVLPRRTCJBMV-GOSISDBHSA-N 1 0 348.450 3.084 20 5 EGBDRO Cc1cc(N2CCC(C[NH+](C)C)CC2)nc2ccc([N+](=O)[O-])cc12 ZINC001165043059 721943859 /nfs/dbraw/zinc/94/38/59/721943859.db2.gz VFLVAQOHUWBOJA-UHFFFAOYSA-N 1 0 328.416 3.229 20 5 EGBDRO O=[N+]([O-])c1c[nH]c2ccc(N3CCCC[C@@H]3CC[NH+]3CCCC3)nc21 ZINC001165048060 721972750 /nfs/dbraw/zinc/97/27/50/721972750.db2.gz IQANRBYGHWGKIM-CQSZACIVSA-N 1 0 343.431 3.316 20 5 EGBDRO CC[NH+](CC)C1CCN(c2ncc([N+](=O)[O-])c3ccccc32)CC1 ZINC001119340708 722002251 /nfs/dbraw/zinc/00/22/51/722002251.db2.gz BEQLMFGNFLQBKK-UHFFFAOYSA-N 1 0 328.416 3.454 20 5 EGBDRO CN(CCC[NH+]1CCCC1)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000343601089 282415901 /nfs/dbraw/zinc/41/59/01/282415901.db2.gz KBNPUGPOKLKSBX-UHFFFAOYSA-N 1 0 343.374 3.114 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)[C@@H]1COc2ccccc21 ZINC000373774488 168742673 /nfs/dbraw/zinc/74/26/73/168742673.db2.gz YAZGIATYXJFWKL-WBMJQRKESA-N 1 0 328.368 3.258 20 5 EGBDRO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000277637605 201303307 /nfs/dbraw/zinc/30/33/07/201303307.db2.gz CRJOBADYTSTUNX-CJNGLKHVSA-N 1 0 349.431 3.330 20 5 EGBDRO C[NH+](C)CCCOc1ccc(CNc2cc(N)ccc2[N+](=O)[O-])cc1 ZINC000193408837 240153317 /nfs/dbraw/zinc/15/33/17/240153317.db2.gz NMXNWFSEGCBRQO-UHFFFAOYSA-N 1 0 344.415 3.120 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000369420455 242005954 /nfs/dbraw/zinc/00/59/54/242005954.db2.gz UUIZNUZRIXHAEP-LSDHHAIUSA-N 1 0 334.416 3.242 20 5 EGBDRO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000359056095 284196072 /nfs/dbraw/zinc/19/60/72/284196072.db2.gz NFOUONNLKDUASL-ZDUSSCGKSA-N 1 0 343.383 3.088 20 5 EGBDRO COc1cc(C[NH2+][C@@H]2C[C@H]2C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000105437351 204145216 /nfs/dbraw/zinc/14/52/16/204145216.db2.gz VTJMSYUYXWYWJF-PSASIEDQSA-N 1 0 334.294 3.043 20 5 EGBDRO CCCO[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000108391428 204261579 /nfs/dbraw/zinc/26/15/79/204261579.db2.gz JIWBLUWDFNPOLC-YOEHRIQHSA-N 1 0 349.431 3.203 20 5 EGBDRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(F)cc1[N+](=O)[O-])c1ccco1 ZINC000133740899 205376278 /nfs/dbraw/zinc/37/62/78/205376278.db2.gz FPUOEBPPVIQVRE-HNNXBMFYSA-N 1 0 349.362 3.140 20 5 EGBDRO COc1ccc(CN2CCC[C@@H]([NH+]3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000157223476 206123411 /nfs/dbraw/zinc/12/34/11/206123411.db2.gz UDMIHKNMFRAQAG-MRXNPFEDSA-N 1 0 333.432 3.054 20 5 EGBDRO CCC[NH+]1CCC(N(C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000157627734 206147288 /nfs/dbraw/zinc/14/72/88/206147288.db2.gz OVNWFNKUIQYCQH-UHFFFAOYSA-N 1 0 334.420 3.241 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@H]1CCO[C@H](C2CC2)C1)C1CC1 ZINC000157899883 206162835 /nfs/dbraw/zinc/16/28/35/206162835.db2.gz UYGDMYREHPIRJK-LNLFQRSKSA-N 1 0 330.428 3.463 20 5 EGBDRO CC[NH+](CC)CCC[C@H](C)NC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000162366896 206397933 /nfs/dbraw/zinc/39/79/33/206397933.db2.gz LALHARBVKFXTKN-AWEZNQCLSA-N 1 0 335.448 3.072 20 5 EGBDRO CCCCNC(=O)[C@H]1CCC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000266501140 248333349 /nfs/dbraw/zinc/33/33/49/248333349.db2.gz ANAZBZIJSRKBJO-CABCVRRESA-N 1 0 333.432 3.284 20 5 EGBDRO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(N2CCOC2=O)cc1 ZINC000171128750 206662468 /nfs/dbraw/zinc/66/24/68/206662468.db2.gz NGSWANQZDIMHLU-CYBMUJFWSA-N 1 0 341.367 3.402 20 5 EGBDRO C[NH+](C)CC[C@@H](NC(=O)c1cccc(Cl)c1[N+](=O)[O-])C(C)(C)C ZINC000175885320 207169170 /nfs/dbraw/zinc/16/91/70/207169170.db2.gz HYCGIHLCLRVGCC-CYBMUJFWSA-N 1 0 341.839 3.344 20 5 EGBDRO C[C@H]1[C@@H](c2ccccc2)CC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000177560202 207353273 /nfs/dbraw/zinc/35/32/73/207353273.db2.gz JXSIEFNJXPWELX-GUYCJALGSA-N 1 0 339.395 3.072 20 5 EGBDRO Cc1c(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000177611743 207362221 /nfs/dbraw/zinc/36/22/21/207362221.db2.gz OMFZBWPWLJHZQD-AWEZNQCLSA-N 1 0 331.416 3.496 20 5 EGBDRO C[C@@H]([NH2+]C1CCN(CC(F)(F)F)CC1)c1cccc([N+](=O)[O-])c1 ZINC000268840539 252288744 /nfs/dbraw/zinc/28/87/44/252288744.db2.gz ZJGFYOZDRIUXEM-LLVKDONJSA-N 1 0 331.338 3.272 20 5 EGBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1ccccc1N1CCOCC1 ZINC000015038175 135706829 /nfs/dbraw/zinc/70/68/29/135706829.db2.gz XCDSQVHNSNTHMC-UHFFFAOYSA-N 1 0 341.411 3.063 20 5 EGBDRO Cc1cc(C)cc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000237634925 141011269 /nfs/dbraw/zinc/01/12/69/141011269.db2.gz FOFZCWXYLSFZPH-MRXNPFEDSA-N 1 0 326.400 3.293 20 5 EGBDRO C[C@@H]1C[C@H](CCNc2c([N+](=O)[O-])ncn2C)C[N@@H+]1Cc1ccccc1 ZINC000338041872 141079288 /nfs/dbraw/zinc/07/92/88/141079288.db2.gz ANDRQHNIJCAJPL-ZBFHGGJFSA-N 1 0 343.431 3.041 20 5 EGBDRO O=[N+]([O-])c1ccn(CCN2CC[C@@](F)(c3cccc(Cl)c3)C2)n1 ZINC000338370557 141109587 /nfs/dbraw/zinc/10/95/87/141109587.db2.gz WFVPINXFDYTSMC-HNNXBMFYSA-N 1 0 338.770 3.015 20 5 EGBDRO O=C1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CN1c1ccccc1Cl ZINC000342976872 141154875 /nfs/dbraw/zinc/15/48/75/141154875.db2.gz FQIAAGXXEHTNFJ-ZDUSSCGKSA-N 1 0 345.786 3.143 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(OCCO)cc2)cc1[N+](=O)[O-] ZINC000358028102 141379749 /nfs/dbraw/zinc/37/97/49/141379749.db2.gz SNGHCTPSQWMHQD-AWEZNQCLSA-N 1 0 330.384 3.125 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(OCCO)cc2)cc1[N+](=O)[O-] ZINC000358028105 141380285 /nfs/dbraw/zinc/38/02/85/141380285.db2.gz SNGHCTPSQWMHQD-CQSZACIVSA-N 1 0 330.384 3.125 20 5 EGBDRO Cc1ccc([C@H](C)NC(=O)C[C@@H](C)[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000237362937 142598180 /nfs/dbraw/zinc/59/81/80/142598180.db2.gz KPJYRASVVROGFW-IJEWVQPXSA-N 1 0 333.432 3.106 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)c1 ZINC000173196449 144037092 /nfs/dbraw/zinc/03/70/92/144037092.db2.gz OKAZGJWGIIGNEH-KSSFIOAISA-N 1 0 333.432 3.144 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CCC2(CCCC2)C1 ZINC000173829518 144049209 /nfs/dbraw/zinc/04/92/09/144049209.db2.gz DEQRLRARJCIYNZ-ZDUSSCGKSA-N 1 0 347.415 3.197 20 5 EGBDRO C[C@@H]([NH2+][C@@H]1CC(=O)N(c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000178650996 144073998 /nfs/dbraw/zinc/07/39/98/144073998.db2.gz BIVKTKVCJXHFNZ-UKRRQHHQSA-N 1 0 325.368 3.051 20 5 EGBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NC(C)(C)CC[NH+]1CCCCCC1 ZINC000185744123 144118702 /nfs/dbraw/zinc/11/87/02/144118702.db2.gz JKJPCSOOFWQDOZ-UHFFFAOYSA-N 1 0 348.447 3.073 20 5 EGBDRO Cc1cc(C(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000187199519 144154267 /nfs/dbraw/zinc/15/42/67/144154267.db2.gz FBIWZJDBRVVLOD-KDOFPFPSSA-N 1 0 341.411 3.324 20 5 EGBDRO CC(C)c1ccc(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000188119305 144168634 /nfs/dbraw/zinc/16/86/34/144168634.db2.gz LASVFUSFWUMGPF-OAHLLOKOSA-N 1 0 331.416 3.029 20 5 EGBDRO CCOC(=O)C[C@@](C)([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)C(C)C ZINC000351813735 144310190 /nfs/dbraw/zinc/31/01/90/144310190.db2.gz IHJDQCZDECAGFL-MRXNPFEDSA-N 1 0 344.358 3.331 20 5 EGBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]C[C@H]3CCOc4ccccc43)nc2c1 ZINC000373237346 144498716 /nfs/dbraw/zinc/49/87/16/144498716.db2.gz QAYJFPXKOUBLAD-GFCCVEGCSA-N 1 0 338.367 3.127 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@@H]3C[C@H]4OCCC[C@H]34)cs2)c1 ZINC000190329152 153131118 /nfs/dbraw/zinc/13/11/18/153131118.db2.gz ASUQWYPUUDLFNU-BZUAXINKSA-N 1 0 345.424 3.375 20 5 EGBDRO CCn1nc(C)c([N+](=O)[O-])c1N[C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000192744452 153258230 /nfs/dbraw/zinc/25/82/30/153258230.db2.gz ACHJVZDKGHOHRK-ZDUSSCGKSA-N 1 0 331.420 3.052 20 5 EGBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](C(F)(F)F)C1 ZINC000301400586 154024099 /nfs/dbraw/zinc/02/40/99/154024099.db2.gz XBTGGLFGERCQDH-QWRGUYRKSA-N 1 0 345.321 3.196 20 5 EGBDRO Cc1nc(N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000310372895 154141001 /nfs/dbraw/zinc/14/10/01/154141001.db2.gz OJOMLFHIASSPPF-ZBFHGGJFSA-N 1 0 326.400 3.373 20 5 EGBDRO C[C@@H](CNc1cc(C(F)(F)F)ncc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000323815363 154172003 /nfs/dbraw/zinc/17/20/03/154172003.db2.gz IWKNXOYHDFWYAP-JTQLQIEISA-N 1 0 332.326 3.152 20 5 EGBDRO Cc1cc(C(=O)N[C@@H](CCC[NH3+])c2ccccc2)cc([N+](=O)[O-])c1 ZINC000326510607 154183523 /nfs/dbraw/zinc/18/35/23/154183523.db2.gz BALVBKMLWRVUDX-KRWDZBQOSA-N 1 0 327.384 3.113 20 5 EGBDRO C[C@H]1[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000336718278 154212207 /nfs/dbraw/zinc/21/22/07/154212207.db2.gz RKUQHGKJGJGGTA-BBRMVZONSA-N 1 0 331.441 3.409 20 5 EGBDRO CCC1(C)CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000337691840 154492811 /nfs/dbraw/zinc/49/28/11/154492811.db2.gz PDWHYGKNBIKYRH-UHFFFAOYSA-N 1 0 349.431 3.444 20 5 EGBDRO C[C@@H]1C[C@H]1[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1ccc(Cl)cc1 ZINC000343400647 155793359 /nfs/dbraw/zinc/79/33/59/155793359.db2.gz IFBLMXKKVXSZFC-YVLXSGLVSA-N 1 0 334.807 3.469 20 5 EGBDRO Cc1cc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)ccc1F ZINC000093534419 162015640 /nfs/dbraw/zinc/01/56/40/162015640.db2.gz GGNXKFWOZVTDMA-AWEZNQCLSA-N 1 0 330.363 3.124 20 5 EGBDRO COc1ccc(NC(=O)CC[N@@H+]2CCCC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000112702256 162186444 /nfs/dbraw/zinc/18/64/44/162186444.db2.gz ZHFQVQGGZSDQDM-UHFFFAOYSA-N 1 0 335.404 3.054 20 5 EGBDRO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000248567848 163014698 /nfs/dbraw/zinc/01/46/98/163014698.db2.gz POTWZCYKAHGTQG-QWHCGFSZSA-N 1 0 335.404 3.052 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000248566755 163015238 /nfs/dbraw/zinc/01/52/38/163015238.db2.gz PDZZJENHLZIDKG-UKTARXLSSA-N 1 0 349.431 3.345 20 5 EGBDRO CO[C@@]1(C)C[C@@H]([N@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])C1(C)C ZINC000337258170 163182516 /nfs/dbraw/zinc/18/25/16/163182516.db2.gz UUQNSHVMGDFQGM-QAPCUYQASA-N 1 0 349.431 3.059 20 5 EGBDRO C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc(F)c2ccccc21 ZINC000344137624 164112716 /nfs/dbraw/zinc/11/27/16/164112716.db2.gz ICUZDJXKKWVXQL-LBPRGKRZSA-N 1 0 328.347 3.434 20 5 EGBDRO C[C@]1(C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCOC1 ZINC000344381897 164167556 /nfs/dbraw/zinc/16/75/56/164167556.db2.gz NEOKIMAVVUZZRH-MRXNPFEDSA-N 1 0 333.413 3.235 20 5 EGBDRO CC(C)[C@@H](O)CC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000344441673 164178980 /nfs/dbraw/zinc/17/89/80/164178980.db2.gz ILCUKFFKALAYPD-HNNXBMFYSA-N 1 0 335.429 3.215 20 5 EGBDRO CC(C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])s1)[NH+]1CCC(C)CC1 ZINC000345828296 164274155 /nfs/dbraw/zinc/27/41/55/164274155.db2.gz JAPDMLZMMSFABP-ZDUSSCGKSA-N 1 0 339.461 3.143 20 5 EGBDRO C[C@@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000346226506 164359660 /nfs/dbraw/zinc/35/96/60/164359660.db2.gz XAJZBPJOBBJGHT-NEPJUHHUSA-N 1 0 339.823 3.098 20 5 EGBDRO CCCN(CC[NH+]1CCCCCC1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000346230826 164360507 /nfs/dbraw/zinc/36/05/07/164360507.db2.gz CBYAHODFXYOMOE-UHFFFAOYSA-N 1 0 333.432 3.323 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3C[C@@H]4CC[C@@H](O)[C@@H]4C3)o2)cc1 ZINC000346334096 164370152 /nfs/dbraw/zinc/37/01/52/164370152.db2.gz NPOSDURZIQZIEJ-IAOVAPTHSA-N 1 0 328.368 3.058 20 5 EGBDRO C[NH+](C)CCNC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000354970724 166075785 /nfs/dbraw/zinc/07/57/85/166075785.db2.gz CWTDXMNSHRMNEH-UHFFFAOYSA-N 1 0 344.371 3.070 20 5 EGBDRO CC[N@@H+](CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])CCC1CC1 ZINC000355064414 166098179 /nfs/dbraw/zinc/09/81/79/166098179.db2.gz SCSLHROUVWEDOR-UHFFFAOYSA-N 1 0 335.404 3.054 20 5 EGBDRO CC(C)c1ccc(C[N@H+](CCO)[C@@H]2CCCSC2)cc1[N+](=O)[O-] ZINC000355486945 166218350 /nfs/dbraw/zinc/21/83/50/166218350.db2.gz PRFXDJKKHZIQAD-OAHLLOKOSA-N 1 0 338.473 3.408 20 5 EGBDRO O=C(NCCCCC[NH+]1CCCC1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000357120858 166590485 /nfs/dbraw/zinc/59/04/85/166590485.db2.gz LYGNPPZCIBYCEI-UHFFFAOYSA-N 1 0 344.415 3.072 20 5 EGBDRO C[NH+](C)C1(CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CCCCC1 ZINC000357405874 166669758 /nfs/dbraw/zinc/66/97/58/166669758.db2.gz UTZLGXPXHCCPLD-UHFFFAOYSA-N 1 0 344.415 3.070 20 5 EGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)Cn1cccn1 ZINC000358001983 166812394 /nfs/dbraw/zinc/81/23/94/166812394.db2.gz FXPQHVVNRXEEJG-KGLIPLIRSA-N 1 0 334.445 3.340 20 5 EGBDRO CCCN(CC[NH+](CC)CC)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000359465377 167164830 /nfs/dbraw/zinc/16/48/30/167164830.db2.gz KXLAJGNOYHYPOJ-UHFFFAOYSA-N 1 0 341.839 3.442 20 5 EGBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000359744373 167220803 /nfs/dbraw/zinc/22/08/03/167220803.db2.gz PZNAKWGGISRROE-LBPRGKRZSA-N 1 0 339.461 3.167 20 5 EGBDRO CCCN(CC[NH+](CC)CC)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000359850045 167248287 /nfs/dbraw/zinc/24/82/87/167248287.db2.gz PGIFOTONVXVKRB-UHFFFAOYSA-N 1 0 341.839 3.442 20 5 EGBDRO Cc1cc(NC(=O)NCC(C)(C)C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000361936289 167705488 /nfs/dbraw/zinc/70/54/88/167705488.db2.gz KHPJOXMLGUVCIX-UHFFFAOYSA-N 1 0 334.420 3.147 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CC1 ZINC000366260264 168099268 /nfs/dbraw/zinc/09/92/68/168099268.db2.gz QTZNYVLWZIFWEZ-KURKYZTESA-N 1 0 329.444 3.132 20 5 EGBDRO COc1cc(C[NH2+][C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)c([N+](=O)[O-])cc1OC ZINC000367684197 168259124 /nfs/dbraw/zinc/25/91/24/168259124.db2.gz KGAYHHFMNUQPIE-MDASCCDHSA-N 1 0 340.379 3.040 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000162982729 264913238 /nfs/dbraw/zinc/91/32/38/264913238.db2.gz LAMBVFWSVCVVMC-UHFFFAOYSA-N 1 0 348.447 3.489 20 5 EGBDRO Cc1ccc([C@H](C)NC(=O)NCC[N@H+](C)C2CCCC2)cc1[N+](=O)[O-] ZINC000176145944 265160146 /nfs/dbraw/zinc/16/01/46/265160146.db2.gz FYHRJLAGFNSBPR-AWEZNQCLSA-N 1 0 348.447 3.138 20 5 EGBDRO COCCO[C@H]1CCCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000193550514 266042785 /nfs/dbraw/zinc/04/27/85/266042785.db2.gz VMDZGNHPCRZILT-HNNXBMFYSA-N 1 0 345.399 3.083 20 5 EGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)Cn1ccnc1 ZINC000271198954 266620385 /nfs/dbraw/zinc/62/03/85/266620385.db2.gz YUNSZXFXPHUKPC-ZIAGYGMSSA-N 1 0 334.445 3.340 20 5 EGBDRO C[C@H](NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000271553242 266686256 /nfs/dbraw/zinc/68/62/56/266686256.db2.gz VITCAPWANQBMSX-ZOCIIQOWSA-N 1 0 347.459 3.013 20 5 EGBDRO CC(C)[C@H]1C[C@H]([NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)CCO1 ZINC000271607680 266694468 /nfs/dbraw/zinc/69/44/68/266694468.db2.gz WLXGLUZFUSGNGX-FRFSOERESA-N 1 0 349.431 3.105 20 5 EGBDRO Cc1cccc([C@@H](C)[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000273500143 267048756 /nfs/dbraw/zinc/04/87/56/267048756.db2.gz YOESFSJARJYTNW-CQSZACIVSA-N 1 0 348.424 3.028 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000274232023 267203368 /nfs/dbraw/zinc/20/33/68/267203368.db2.gz FAOQLDVXAFQCDC-AWEZNQCLSA-N 1 0 348.447 3.406 20 5 EGBDRO Cc1cc(N2CCN([C@H](C)c3nccs3)CC2)ccc1[N+](=O)[O-] ZINC000274314441 267216494 /nfs/dbraw/zinc/21/64/94/267216494.db2.gz RQIGXTXXYWPGQT-CYBMUJFWSA-N 1 0 332.429 3.243 20 5 EGBDRO CCCN(CCC[NH+](C)C)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000276476026 267555977 /nfs/dbraw/zinc/55/59/77/267555977.db2.gz ZIJRCSXRBHDCHQ-UHFFFAOYSA-N 1 0 327.812 3.052 20 5 EGBDRO C[C@@H]1CCN(c2ncccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000266192833 274304904 /nfs/dbraw/zinc/30/49/04/274304904.db2.gz GVMDHMYVLSHKRE-OAHLLOKOSA-N 1 0 326.400 3.091 20 5 EGBDRO CCOc1ccc(C(=O)Nc2cccc(C[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000047453414 275141864 /nfs/dbraw/zinc/14/18/64/275141864.db2.gz HARUKRYMZVKZKL-UHFFFAOYSA-N 1 0 343.383 3.307 20 5 EGBDRO C[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(O)c1 ZINC000181569573 275208026 /nfs/dbraw/zinc/20/80/26/275208026.db2.gz BXUIHWGXPJIMRR-JTQLQIEISA-N 1 0 349.774 3.243 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCc1cn3c(n1)SCC3)CCC2 ZINC000278621319 275259858 /nfs/dbraw/zinc/25/98/58/275259858.db2.gz GJNWUTIJOXOYHH-INIZCTEOSA-N 1 0 344.440 3.107 20 5 EGBDRO CN(C)C(=O)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000278820910 275277925 /nfs/dbraw/zinc/27/79/25/275277925.db2.gz SMSRFCKITPQRKW-IIDMSEBBSA-N 1 0 345.443 3.209 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000278866798 275282459 /nfs/dbraw/zinc/28/24/59/275282459.db2.gz XQWFDHGUXFOGJO-UHFFFAOYSA-N 1 0 333.432 3.097 20 5 EGBDRO Cc1ccc(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)c(=O)n1C ZINC000279075064 275301683 /nfs/dbraw/zinc/30/16/83/275301683.db2.gz MBVRLFPVXAERTR-QGZVFWFLSA-N 1 0 341.411 3.114 20 5 EGBDRO C[C@](O)(C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C(F)(F)F ZINC000279086711 275302758 /nfs/dbraw/zinc/30/27/58/275302758.db2.gz NCPBOOSNRVLBKX-OCCSQVGLSA-N 1 0 332.322 3.220 20 5 EGBDRO C[C@H]([NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C(=O)NC(C)(C)C ZINC000279176836 275310062 /nfs/dbraw/zinc/31/00/62/275310062.db2.gz VELZXJBSPFMZAJ-XHDPSFHLSA-N 1 0 333.432 3.210 20 5 EGBDRO CCC(=O)c1ccc(NC2CC[NH+](CC3CC3)CC2)c([N+](=O)[O-])c1 ZINC000280659946 275478724 /nfs/dbraw/zinc/47/87/24/275478724.db2.gz GOWHFCIRJYLGHU-UHFFFAOYSA-N 1 0 331.416 3.474 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000286594363 276020708 /nfs/dbraw/zinc/02/07/08/276020708.db2.gz QTMZIQHWJYZUEN-ZOWXZIJZSA-N 1 0 346.349 3.457 20 5 EGBDRO CCC[C@H]([NH2+]C(C)C)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000355145333 276044010 /nfs/dbraw/zinc/04/40/10/276044010.db2.gz DYUITWBCCORECF-INIZCTEOSA-N 1 0 333.432 3.253 20 5 EGBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CCC(F)(F)CC1 ZINC000287132838 276087745 /nfs/dbraw/zinc/08/77/45/276087745.db2.gz ZYFJAMHYRXDCGJ-UHFFFAOYSA-N 1 0 341.358 3.433 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000287719507 276150690 /nfs/dbraw/zinc/15/06/90/276150690.db2.gz VIMHYZRQTHCEKX-YIONKMFJSA-N 1 0 346.431 3.301 20 5 EGBDRO O=[N+]([O-])c1ccc(Cl)cc1CN1CC[C@H](OCc2ccncc2)C1 ZINC000287760945 276154823 /nfs/dbraw/zinc/15/48/23/276154823.db2.gz MGEJBDJCYAQTPG-INIZCTEOSA-N 1 0 347.802 3.434 20 5 EGBDRO CN(CCc1cnccn1)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000289299491 276318185 /nfs/dbraw/zinc/31/81/85/276318185.db2.gz CKDIBVFTNWQESX-UHFFFAOYSA-N 1 0 341.198 3.366 20 5 EGBDRO CC(C)(C)c1ccc(C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000289357629 276327102 /nfs/dbraw/zinc/32/71/02/276327102.db2.gz YUKHUYHNMQREFR-IBGZPJMESA-N 1 0 345.443 3.108 20 5 EGBDRO C[NH+](C)CCN(Cc1csc([N+](=O)[O-])c1)Cc1cccs1 ZINC000289437698 276339042 /nfs/dbraw/zinc/33/90/42/276339042.db2.gz LMXQTVAPDRTOCZ-UHFFFAOYSA-N 1 0 325.459 3.282 20 5 EGBDRO NC(=O)[C@H]1CCCC[C@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000289601505 276364380 /nfs/dbraw/zinc/36/43/80/276364380.db2.gz SXURVGVSCYGJIU-CMPLNLGQSA-N 1 0 346.214 3.035 20 5 EGBDRO CCCN(CCC[NH+](C)C)C(=O)Nc1cc([N+](=O)[O-])ccc1CC ZINC000289796275 276395980 /nfs/dbraw/zinc/39/59/80/276395980.db2.gz MXPUVCGMJFUMMB-UHFFFAOYSA-N 1 0 336.436 3.353 20 5 EGBDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000236616938 277906932 /nfs/dbraw/zinc/90/69/32/277906932.db2.gz BCTGMWSPIYEICF-OAHLLOKOSA-N 1 0 335.448 3.338 20 5 EGBDRO COc1cccc(N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000185607644 278016862 /nfs/dbraw/zinc/01/68/62/278016862.db2.gz OOEPDJGKQGNGLD-HIFRSBDPSA-N 1 0 331.416 3.057 20 5 EGBDRO C[C@@H](NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)[C@H]1CCC[NH2+]C1 ZINC000269195025 278330560 /nfs/dbraw/zinc/33/05/60/278330560.db2.gz LJNYZRKLTPHHEW-OCCSQVGLSA-N 1 0 333.432 3.010 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000091937803 280397395 /nfs/dbraw/zinc/39/73/95/280397395.db2.gz DRUOIMSRXFPRKE-CVEARBPZSA-N 1 0 345.443 3.076 20 5 EGBDRO CC(C)([NH2+]Cc1cccc2c1OCCO2)c1ccc([N+](=O)[O-])cc1 ZINC000080347027 307432954 /nfs/dbraw/zinc/43/29/54/307432954.db2.gz MBKGZDYZVLDZNX-UHFFFAOYSA-N 1 0 328.368 3.391 20 5 EGBDRO Cc1ccc(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000113343145 307475684 /nfs/dbraw/zinc/47/56/84/307475684.db2.gz QUDBCDIFPIVORI-AWEZNQCLSA-N 1 0 335.404 3.002 20 5 EGBDRO Cc1c(NC(=O)[C@@H](C)[NH2+][C@@H]2CC(C)(C)OC2(C)C)cccc1[N+](=O)[O-] ZINC000119814250 307500107 /nfs/dbraw/zinc/50/01/07/307500107.db2.gz GDPHPQYNLWYCPH-IUODEOHRSA-N 1 0 349.431 3.166 20 5 EGBDRO CC(C)([NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)NCC1CCCCC1 ZINC000129482856 307615617 /nfs/dbraw/zinc/61/56/17/307615617.db2.gz WCUDXKPSWGZPAH-UHFFFAOYSA-N 1 0 333.432 3.160 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCOc1ccc(C(F)(F)F)cn1 ZINC000152215551 307748266 /nfs/dbraw/zinc/74/82/66/307748266.db2.gz CXUHJZPTJSQQTQ-UHFFFAOYSA-N 1 0 341.289 3.177 20 5 EGBDRO COc1ccc([C@H](CO)C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000414196680 309066283 /nfs/dbraw/zinc/06/62/83/309066283.db2.gz VTKWHRUJRCAKKO-BBRMVZONSA-N 1 0 330.384 3.030 20 5 EGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCC(F)(F)[C@H]1O ZINC000414303389 309071555 /nfs/dbraw/zinc/07/15/55/309071555.db2.gz PAKXZHLHVAYQBT-LNSITVRQSA-N 1 0 328.359 3.054 20 5 EGBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC(C)(C)C[NH+](C)C ZINC000161140830 307899132 /nfs/dbraw/zinc/89/91/32/307899132.db2.gz RMXMOSGSGXJBPE-UHFFFAOYSA-N 1 0 339.461 3.024 20 5 EGBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000414330854 309073352 /nfs/dbraw/zinc/07/33/52/309073352.db2.gz FGMDBCOKUXVGDZ-KCPJHIHWSA-N 1 0 329.356 3.051 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1C[C@H](C)[C@H]2CCCC[C@H]21 ZINC000248412729 308002438 /nfs/dbraw/zinc/00/24/38/308002438.db2.gz FOTHYRCQJUFQOQ-YSVLISHTSA-N 1 0 331.416 3.352 20 5 EGBDRO O=C(/C=C\c1cccc([N+](=O)[O-])c1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000255667810 308057080 /nfs/dbraw/zinc/05/70/80/308057080.db2.gz YSQVKLPRWGZSJK-JJEJIETFSA-N 1 0 343.427 3.085 20 5 EGBDRO COc1ccc(CNc2ccc(C[NH+](C)C)cc2F)cc1[N+](=O)[O-] ZINC000414488520 309083837 /nfs/dbraw/zinc/08/38/37/309083837.db2.gz OLGQUHPRHVTILI-UHFFFAOYSA-N 1 0 333.363 3.416 20 5 EGBDRO Cc1nnsc1C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000293896264 308171939 /nfs/dbraw/zinc/17/19/39/308171939.db2.gz ZIVYGJAPESUMQA-GXTWGEPZSA-N 1 0 332.429 3.256 20 5 EGBDRO Cc1ccc([C@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])[NH+]2CCCC2)cc1 ZINC000294828378 308261693 /nfs/dbraw/zinc/26/16/93/308261693.db2.gz XAZVUVQRQOTFQO-KRWDZBQOSA-N 1 0 347.459 3.084 20 5 EGBDRO CSc1ccc([C@H](CNc2ncc([N+](=O)[O-])c(C)n2)[NH+](C)C)cc1 ZINC000294833159 308262283 /nfs/dbraw/zinc/26/22/83/308262283.db2.gz AIAVIBOKCYTBRX-HNNXBMFYSA-N 1 0 347.444 3.130 20 5 EGBDRO C[C@H]1CN(c2ccc([N+](=O)[O-])c3cnccc32)CC[N@@H+](C2CC2)C1 ZINC000294868066 308265961 /nfs/dbraw/zinc/26/59/61/308265961.db2.gz DURKWBPNXOOUAO-CYBMUJFWSA-N 1 0 326.400 3.064 20 5 EGBDRO C[C@@H](NC1CC[NH+](C2CCCC2)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294941170 308274232 /nfs/dbraw/zinc/27/42/32/308274232.db2.gz YBJFIHPKUHGMRN-CYBMUJFWSA-N 1 0 332.448 3.235 20 5 EGBDRO C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000295468563 308330071 /nfs/dbraw/zinc/33/00/71/308330071.db2.gz YCVZRUXQPNGNMJ-GUYCJALGSA-N 1 0 331.416 3.179 20 5 EGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](c3ccncc3)C2)c([N+](=O)[O-])c1 ZINC000296074932 308391103 /nfs/dbraw/zinc/39/11/03/308391103.db2.gz VOXNAZKPGJHWCM-CQSZACIVSA-N 1 0 342.355 3.278 20 5 EGBDRO [NH3+]C[C@@H]1CCCC[C@@H]1NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000414811425 309103013 /nfs/dbraw/zinc/10/30/13/309103013.db2.gz WGKRJOMZQSBBGA-BBRMVZONSA-N 1 0 346.456 3.325 20 5 EGBDRO COc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000299396266 308672821 /nfs/dbraw/zinc/67/28/21/308672821.db2.gz KWTGEEFDUVNPLO-STQMWFEESA-N 1 0 343.383 3.281 20 5 EGBDRO Cc1ccnc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1[N+](=O)[O-] ZINC000301304016 308695713 /nfs/dbraw/zinc/69/57/13/308695713.db2.gz SQYHXZZUEIIBKT-INIZCTEOSA-N 1 0 332.448 3.391 20 5 EGBDRO CC(C)C[C@H](C[NH3+])NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000414838955 309104820 /nfs/dbraw/zinc/10/48/20/309104820.db2.gz LBHAARPVSASJMU-CYBMUJFWSA-N 1 0 334.445 3.181 20 5 EGBDRO C[C@H]1C[NH+](CCCCNc2c(F)cc([N+](=O)[O-])cc2F)C[C@H](C)O1 ZINC000301793485 308715551 /nfs/dbraw/zinc/71/55/51/308715551.db2.gz PGQRNSRCQIZRPU-RYUDHWBXSA-N 1 0 343.374 3.174 20 5 EGBDRO COc1cc(NCCC[NH+]2CCC(C)CC2)c(F)cc1[N+](=O)[O-] ZINC000301880266 308719661 /nfs/dbraw/zinc/71/96/61/308719661.db2.gz VLILGHLYEPVOFE-UHFFFAOYSA-N 1 0 325.384 3.276 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1N1CC[NH+](C3CCCCC3)CC1)CCN2 ZINC000302879643 308749211 /nfs/dbraw/zinc/74/92/11/308749211.db2.gz HSRKJDMNTWUSOM-UHFFFAOYSA-N 1 0 330.432 3.018 20 5 EGBDRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000330914316 308800310 /nfs/dbraw/zinc/80/03/10/308800310.db2.gz YCJQPCARFPSDIB-GJZGRUSLSA-N 1 0 347.459 3.010 20 5 EGBDRO C[C@@H]1CCC[C@@H]([NH2+]CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)[C@H]1C ZINC000331725187 308815634 /nfs/dbraw/zinc/81/56/34/308815634.db2.gz WSHAEHDXTJKSQJ-VNHYZAJKSA-N 1 0 347.415 3.307 20 5 EGBDRO CC(C)([NH2+]CCC(=O)Nc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000411760177 308951794 /nfs/dbraw/zinc/95/17/94/308951794.db2.gz RJLDSRYQRWZVMP-UHFFFAOYSA-N 1 0 327.384 3.448 20 5 EGBDRO O=[N+]([O-])c1cnc(NC2CC[NH+](CCc3ccccc3)CC2)c(F)c1 ZINC000413097398 309015966 /nfs/dbraw/zinc/01/59/66/309015966.db2.gz RJPNMYYGMWNFID-UHFFFAOYSA-N 1 0 344.390 3.248 20 5 EGBDRO C[N@@H+]1CCCC12CCN(c1ccc([N+](=O)[O-])c3ncccc13)CC2 ZINC000413218882 309022052 /nfs/dbraw/zinc/02/20/52/309022052.db2.gz KCIACHCAVMRBIT-UHFFFAOYSA-N 1 0 326.400 3.208 20 5 EGBDRO [NH3+]CC[C@H](NCc1ccc(-c2ccccc2[N+](=O)[O-])s1)C(F)F ZINC000414985170 309112809 /nfs/dbraw/zinc/11/28/09/309112809.db2.gz FOUQYQMINSTKGN-LBPRGKRZSA-N 1 0 341.383 3.395 20 5 EGBDRO C[C@@H]([NH3+])[C@@H](C)NCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000415019176 309114717 /nfs/dbraw/zinc/11/47/17/309114717.db2.gz RPULTQNCJGRMNR-ZIAGYGMSSA-N 1 0 328.416 3.188 20 5 EGBDRO COc1ccc(-c2ccc(CN[C@H]3CC[NH2+]C3(C)C)o2)c([N+](=O)[O-])c1 ZINC000415035372 309115606 /nfs/dbraw/zinc/11/56/06/309115606.db2.gz IRBNYWDTSQJWAR-KRWDZBQOSA-N 1 0 345.399 3.094 20 5 EGBDRO CN(C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)C(C)(C)C[NH+]1CCCC1 ZINC000416332080 309169000 /nfs/dbraw/zinc/16/90/00/309169000.db2.gz FIANVZPIMMDUTL-UHFFFAOYSA-N 1 0 344.415 3.023 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCCOC[C@@H]1CCOC1)CCCC2 ZINC000417318636 309201456 /nfs/dbraw/zinc/20/14/56/309201456.db2.gz ZGZHYQKTKIKJCI-KXBFYZLASA-N 1 0 348.443 3.395 20 5 EGBDRO Cc1cnc(CC[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)cn1 ZINC000417359039 309202844 /nfs/dbraw/zinc/20/28/44/309202844.db2.gz ILWBCLLPWBLSTE-GOSISDBHSA-N 1 0 326.400 3.293 20 5 EGBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCC[NH2+]C1CCCCCC1 ZINC000418442559 309246357 /nfs/dbraw/zinc/24/63/57/309246357.db2.gz JUMAEZRTRQBTSF-UHFFFAOYSA-N 1 0 348.447 3.049 20 5 EGBDRO Cc1cc(N2CCC[C@@H]([C@@H](C)[NH3+])C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420195415 309277017 /nfs/dbraw/zinc/27/70/17/309277017.db2.gz VXADKOPMEFCREX-GHMZBOCLSA-N 1 0 331.338 3.486 20 5 EGBDRO [NH3+][C@@H]1CCC[C@H]2CN(c3c(Cl)cc(Cl)cc3[N+](=O)[O-])C[C@H]21 ZINC000420225186 309277493 /nfs/dbraw/zinc/27/74/93/309277493.db2.gz CNBWCJFMTQUMAP-MKPLZMMCSA-N 1 0 330.215 3.465 20 5 EGBDRO [NH3+][C@@H]1CCC[C@@H]2CN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)C[C@@H]21 ZINC000420224936 309277552 /nfs/dbraw/zinc/27/75/52/309277552.db2.gz CAYXZILVOIECOZ-OWCLPIDISA-N 1 0 338.411 3.220 20 5 EGBDRO C[C@H]1C[C@@H](CO)C[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000421363512 309320461 /nfs/dbraw/zinc/32/04/61/309320461.db2.gz PROIHXHNIVYBQR-UONOGXRCSA-N 1 0 330.384 3.305 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCc1ccccc1C[NH+](C)C ZINC000421741445 309337935 /nfs/dbraw/zinc/33/79/35/309337935.db2.gz OUFXRHPTOFRPDY-UHFFFAOYSA-N 1 0 341.411 3.203 20 5 EGBDRO CCC[C@@H]([NH2+]C[C@H]1CC(=O)N(CCC)C1)c1cccc([N+](=O)[O-])c1 ZINC000421879487 309344781 /nfs/dbraw/zinc/34/47/81/309344781.db2.gz NFDPPHUDUQKREA-RHSMWYFYSA-N 1 0 333.432 3.284 20 5 EGBDRO COCC[NH2+]CCN[C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000423317261 309394928 /nfs/dbraw/zinc/39/49/28/309394928.db2.gz KDYQVBCBTVJIRW-ZDUSSCGKSA-N 1 0 349.456 3.210 20 5 EGBDRO Cc1ccc([C@@H](C)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000423533225 309405285 /nfs/dbraw/zinc/40/52/85/309405285.db2.gz SQFOMKRDLMXGCX-FHLIZLRMSA-N 1 0 325.412 3.309 20 5 EGBDRO CCc1ccc([C@@H](CNc2ncc([N+](=O)[O-])cn2)[NH+](CC)CC)cc1 ZINC000431503980 309634754 /nfs/dbraw/zinc/63/47/54/309634754.db2.gz DABTUUKUZWECJC-QGZVFWFLSA-N 1 0 343.431 3.442 20 5 EGBDRO CC1(C)C[C@@H]([NH2+]CCN2CCOCC2(C)C)c2cc([N+](=O)[O-])ccc21 ZINC000433112689 309679053 /nfs/dbraw/zinc/67/90/53/309679053.db2.gz AFBMHXROOYXCMO-QGZVFWFLSA-N 1 0 347.459 3.018 20 5 EGBDRO CCn1cccc(C[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)c1=O ZINC000433206415 309682352 /nfs/dbraw/zinc/68/23/52/309682352.db2.gz HXMJRCXWQVTPJP-UHFFFAOYSA-N 1 0 329.400 3.190 20 5 EGBDRO CCO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433235129 309683088 /nfs/dbraw/zinc/68/30/88/309683088.db2.gz MJFKOLVRBWNQTB-GVDBMIGSSA-N 1 0 334.416 3.101 20 5 EGBDRO C[C@H]1CCCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@@H]1C[NH3+] ZINC000435390588 309731386 /nfs/dbraw/zinc/73/13/86/309731386.db2.gz SHQMZDQGERNJPP-BLLLJJGKSA-N 1 0 346.456 3.278 20 5 EGBDRO C[NH+](C)C[C@H]1CCc2ccccc2N1C(=O)c1ccccc1[N+](=O)[O-] ZINC000436725551 309770656 /nfs/dbraw/zinc/77/06/56/309770656.db2.gz SGEYZFKIACLNHT-OAHLLOKOSA-N 1 0 339.395 3.118 20 5 EGBDRO CN(C)C1(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CCC1 ZINC000437074653 309786401 /nfs/dbraw/zinc/78/64/01/309786401.db2.gz JQLJVSDOOOGBBS-NVXWUHKLSA-N 1 0 331.460 3.380 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000446031494 309953715 /nfs/dbraw/zinc/95/37/15/309953715.db2.gz MSCZZFMWVDGFSK-UHFFFAOYSA-N 1 0 345.443 3.241 20 5 EGBDRO CN(C)C1(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCCCC1 ZINC000447520371 309980613 /nfs/dbraw/zinc/98/06/13/309980613.db2.gz TUTWITSTQZQWKH-HOTGVXAUSA-N 1 0 349.479 3.129 20 5 EGBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]Cc2ccc3c(c2)COC3)n1 ZINC000447586101 309983418 /nfs/dbraw/zinc/98/34/18/309983418.db2.gz LOOYEKMFOLLYFA-IRXDYDNUSA-N 1 0 342.399 3.095 20 5 EGBDRO Cc1csc([C@H](C)C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000447591877 309983483 /nfs/dbraw/zinc/98/34/83/309983483.db2.gz JDRLHDWLKVBNEG-XBFCOCLRSA-N 1 0 349.460 3.433 20 5 EGBDRO CC(C)Oc1ccc(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])cn1 ZINC000449081880 310035479 /nfs/dbraw/zinc/03/54/79/310035479.db2.gz ITANOEHRSLHJOJ-CQSZACIVSA-N 1 0 329.400 3.498 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2ccc3c(c2)OCCCCO3)cc1 ZINC000449131435 310039220 /nfs/dbraw/zinc/03/92/20/310039220.db2.gz MRCWGYPEQIFILB-UHFFFAOYSA-N 1 0 342.395 3.479 20 5 EGBDRO COC1CCN(C(C)(C)C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000449151639 310040709 /nfs/dbraw/zinc/04/07/09/310040709.db2.gz AZNZMEZGMIYUDP-OAHLLOKOSA-N 1 0 349.475 3.005 20 5 EGBDRO Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449175941 310042353 /nfs/dbraw/zinc/04/23/53/310042353.db2.gz PKQJEWQFFNQYMU-OLZOCXBDSA-N 1 0 330.432 3.097 20 5 EGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC(=O)N(C2CCCCC2)C1 ZINC000449237746 310046779 /nfs/dbraw/zinc/04/67/79/310046779.db2.gz CWMQZGPZXNHDPS-GDBMZVCRSA-N 1 0 345.443 3.049 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]([C@H](CO)C1CC1)C1CC1 ZINC000449513216 310068408 /nfs/dbraw/zinc/06/84/08/310068408.db2.gz VLUKQLKQHBAMFP-LZZACLKFSA-N 1 0 330.428 3.385 20 5 EGBDRO CC(C)[N@@H+]1CC[C@@H](N(C)Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000449787352 310087120 /nfs/dbraw/zinc/08/71/20/310087120.db2.gz UWIACLNRPZEJQW-CQSZACIVSA-N 1 0 343.374 3.111 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000450860924 310146352 /nfs/dbraw/zinc/14/63/52/310146352.db2.gz NFGOEOQAFFXKLL-USXIJHARSA-N 1 0 332.400 3.041 20 5 EGBDRO CCOc1cc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)ccc1[N+](=O)[O-] ZINC000450870692 310146996 /nfs/dbraw/zinc/14/69/96/310146996.db2.gz ZLLAHIHPAPEDSE-OLMNPRSZSA-N 1 0 346.427 3.431 20 5 EGBDRO C[C@@H](c1ccccc1)[C@H](O)C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000450975758 310153144 /nfs/dbraw/zinc/15/31/44/310153144.db2.gz PFRZEGPHQXAXMH-HNAYVOBHSA-N 1 0 328.412 3.234 20 5 EGBDRO CCOc1cc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)ccc1[N+](=O)[O-] ZINC000451418297 310177480 /nfs/dbraw/zinc/17/74/80/310177480.db2.gz IZVWDTVUGYCKER-UXLLHSPISA-N 1 0 334.416 3.119 20 5 EGBDRO CO[C@]1(C)C[C@@H]([NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1(C)C ZINC000451481145 310180571 /nfs/dbraw/zinc/18/05/71/310180571.db2.gz AGVIQQZZPSFKOA-CRAIPNDOSA-N 1 0 349.431 3.025 20 5 EGBDRO CO[C@@H]1[C@@H](C)[C@@H]([NH2+]Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1(C)C ZINC000451496733 310181201 /nfs/dbraw/zinc/18/12/01/310181201.db2.gz JJKRLTYXWHUHMY-IUIKQTSFSA-N 1 0 345.399 3.399 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H]1C[C@H](OC(C)C)C1(C)C ZINC000451499220 310181351 /nfs/dbraw/zinc/18/13/51/310181351.db2.gz MTHUYLUQNJJHPQ-CABCVRRESA-N 1 0 349.431 3.023 20 5 EGBDRO C[C@](O)(C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)C(F)(F)F ZINC000451545444 310184899 /nfs/dbraw/zinc/18/48/99/310184899.db2.gz HJSIZIDLFDBEHC-OCCSQVGLSA-N 1 0 332.322 3.088 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](CCO[C@@H]3CCCCO3)C2)cc1 ZINC000451551732 310185729 /nfs/dbraw/zinc/18/57/29/310185729.db2.gz UWUGJXZGIXDZNI-FUHWJXTLSA-N 1 0 334.416 3.317 20 5 EGBDRO CO[C@@H]1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1C ZINC000451557867 310186362 /nfs/dbraw/zinc/18/63/62/310186362.db2.gz FOJMFTNHSRCQGN-CZUORRHYSA-N 1 0 345.399 3.149 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCSC[C@H]1C1CC1 ZINC000451645773 310190847 /nfs/dbraw/zinc/19/08/47/310190847.db2.gz BVEMSUVLEDHEKX-INIZCTEOSA-N 1 0 349.456 3.059 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H]2C[C@H](O)CC[C@H]2C1 ZINC000451698555 310193132 /nfs/dbraw/zinc/19/31/32/310193132.db2.gz CSZFIBGYGQWYFD-RVKKMQEKSA-N 1 0 348.443 3.365 20 5 EGBDRO C[C@H]1CCC(C)(C)[N@@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000452017897 310207607 /nfs/dbraw/zinc/20/76/07/310207607.db2.gz XSBXBIUTGCQRCY-LBPRGKRZSA-N 1 0 333.388 3.156 20 5 EGBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)Cc2cnn(C)c2)cc1[N+](=O)[O-] ZINC000453326269 310271192 /nfs/dbraw/zinc/27/11/92/310271192.db2.gz AGMNMEAETGNIPL-CHWSQXEVSA-N 1 0 332.404 3.009 20 5 EGBDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)Cc2cnn(C)c2)cc1[N+](=O)[O-] ZINC000453326270 310271203 /nfs/dbraw/zinc/27/12/03/310271203.db2.gz AGMNMEAETGNIPL-OLZOCXBDSA-N 1 0 332.404 3.009 20 5 EGBDRO C[C@@H]1C[C@@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c2nccn21 ZINC000453335978 310271704 /nfs/dbraw/zinc/27/17/04/310271704.db2.gz FEVCNOSZGIXPQE-UHOFOFEASA-N 1 0 326.400 3.408 20 5 EGBDRO Cc1cc(C)c(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cn1 ZINC000453345710 310272216 /nfs/dbraw/zinc/27/22/16/310272216.db2.gz FMRFCIYTLBMNPJ-HZPDHXFCSA-N 1 0 329.404 3.077 20 5 EGBDRO C[C@@H](C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1)c1ccc(F)cc1 ZINC000453583969 310282952 /nfs/dbraw/zinc/28/29/52/310282952.db2.gz YWJOHOPZQZCBRC-AWEZNQCLSA-N 1 0 344.390 3.055 20 5 EGBDRO C[C@H](C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1)c1ccc(F)cc1 ZINC000453583971 310282971 /nfs/dbraw/zinc/28/29/71/310282971.db2.gz YWJOHOPZQZCBRC-CQSZACIVSA-N 1 0 344.390 3.055 20 5 EGBDRO Cc1ccc(C[C@@H](CO)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)cc1C ZINC000453636784 310286010 /nfs/dbraw/zinc/28/60/10/310286010.db2.gz UJODTBUTMRAGDE-SFHVURJKSA-N 1 0 328.412 3.213 20 5 EGBDRO CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000456193669 310392918 /nfs/dbraw/zinc/39/29/18/310392918.db2.gz TYQFBVZAFHEILP-UHFFFAOYSA-N 1 0 346.431 3.228 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@]1(C)CCCC[C@@H]1C ZINC000459615929 310564528 /nfs/dbraw/zinc/56/45/28/310564528.db2.gz PNYVUVNSIKMWQQ-SCLBCKFNSA-N 1 0 349.431 3.490 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H](CO)Cc1ccccc1C ZINC000468610663 310691141 /nfs/dbraw/zinc/69/11/41/310691141.db2.gz UBNLFXFYZHIMES-XZGNNNQISA-N 1 0 340.423 3.500 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H](CO)Cc1ccc(F)cc1 ZINC000480485764 310895293 /nfs/dbraw/zinc/89/52/93/310895293.db2.gz FIUTZSHYWZSHKZ-MXHVWWQHSA-N 1 0 344.386 3.330 20 5 EGBDRO CCOc1ccc(NC(=O)C[NH2+][C@H]2CCCC[C@H]2CC)c([N+](=O)[O-])c1 ZINC000481210555 310908557 /nfs/dbraw/zinc/90/85/57/310908557.db2.gz WCELNFNQIWYSAU-HIFRSBDPSA-N 1 0 349.431 3.490 20 5 EGBDRO Cc1ccc(C[NH2+]C[C@](C)(CO)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000483662187 310954301 /nfs/dbraw/zinc/95/43/01/310954301.db2.gz OSECOJVMECIQDB-LJQANCHMSA-N 1 0 328.412 3.234 20 5 EGBDRO C[N@@H+]1CC[C@]2(CCN(c3ccc([N+](=O)[O-])c(OC(C)(C)C)c3)C2)C1 ZINC000488740505 311077552 /nfs/dbraw/zinc/07/75/52/311077552.db2.gz ZHUZVQCREUXDDP-SFHVURJKSA-N 1 0 333.432 3.304 20 5 EGBDRO COCC[C@H](c1ccccc1)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000489019371 311089676 /nfs/dbraw/zinc/08/96/76/311089676.db2.gz WBNFNKKDAZCTFS-QGZVFWFLSA-N 1 0 344.415 3.206 20 5 EGBDRO C[C@@H]1CCCC[C@H]1NC(=O)CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000490831553 311154279 /nfs/dbraw/zinc/15/42/79/311154279.db2.gz YMNLNEIARROJHZ-RDTXWAMCSA-N 1 0 345.443 3.254 20 5 EGBDRO CC[NH+](CC)CC1CCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000491318135 311173258 /nfs/dbraw/zinc/17/32/58/311173258.db2.gz CSLGUVGLTXKHOW-CMDGGOBGSA-N 1 0 345.443 3.188 20 5 EGBDRO CCOc1cc(C[N@H+](C)CCc2ccccc2O)ccc1[N+](=O)[O-] ZINC000491762387 311188753 /nfs/dbraw/zinc/18/87/53/311188753.db2.gz LJHZALOSJHONGP-UHFFFAOYSA-N 1 0 330.384 3.374 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCN(c3ccccc3F)C2)c(F)c1 ZINC000492045544 311211922 /nfs/dbraw/zinc/21/19/22/311211922.db2.gz LSGOJILNHFFYBQ-ZDUSSCGKSA-N 1 0 333.338 3.242 20 5 EGBDRO CCC(CC)(CC(=O)OC)[NH2+]Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000492058017 311212877 /nfs/dbraw/zinc/21/28/77/311212877.db2.gz CQSYPGANHYWIRI-UHFFFAOYSA-N 1 0 328.796 3.460 20 5 EGBDRO CN(C(=O)c1cccc([N+](=O)[O-])c1)C(C)(C)C[NH+]1CCCCCC1 ZINC000494096319 311456230 /nfs/dbraw/zinc/45/62/30/311456230.db2.gz AKBUVQMZZNVEKD-UHFFFAOYSA-N 1 0 333.432 3.321 20 5 EGBDRO C[C@H](CCNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000499328934 311905229 /nfs/dbraw/zinc/90/52/29/311905229.db2.gz PFSZKVZKPONCTK-OAHLLOKOSA-N 1 0 347.459 3.253 20 5 EGBDRO COc1ccc([C@H]2CC[N@H+](CCOc3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000504503671 312007029 /nfs/dbraw/zinc/00/70/29/312007029.db2.gz NNNLHMAEQULIDI-INIZCTEOSA-N 1 0 342.395 3.472 20 5 EGBDRO COCC[N@H+](C)CC[C@@H](Nc1ncccc1[N+](=O)[O-])c1ccccc1 ZINC000505583027 312027099 /nfs/dbraw/zinc/02/70/99/312027099.db2.gz XZFMJZQHMTVEFZ-MRXNPFEDSA-N 1 0 344.415 3.111 20 5 EGBDRO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1ccc2c(c1)nnn2C ZINC000507174462 312061589 /nfs/dbraw/zinc/06/15/89/312061589.db2.gz RCFBOUOBWNRQRB-UHFFFAOYSA-N 1 0 339.399 3.287 20 5 EGBDRO C[C@H](F)CC[NH+]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000509259257 312112908 /nfs/dbraw/zinc/11/29/08/312112908.db2.gz FBBPFVOOURQYTA-NSHDSACASA-N 1 0 349.328 3.484 20 5 EGBDRO O=[N+]([O-])c1cc(F)c(CN2CC[NH+](C3CCCCC3)CC2)c(F)c1 ZINC000509401993 312115892 /nfs/dbraw/zinc/11/58/92/312115892.db2.gz VLISMAAUXYRRED-UHFFFAOYSA-N 1 0 339.386 3.323 20 5 EGBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCc2ccccc2C1 ZINC000512318114 312182823 /nfs/dbraw/zinc/18/28/23/312182823.db2.gz KGKVXKXUXWIJOK-SFHVURJKSA-N 1 0 326.396 3.463 20 5 EGBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]Cc2noc3ccccc32)n1 ZINC000515498098 312286150 /nfs/dbraw/zinc/28/61/50/312286150.db2.gz DSAYBKKOCRVQON-ZFWWWQNUSA-N 1 0 341.371 3.206 20 5 EGBDRO CCO[C@@H]1C[C@H]([NH2+]CCOc2ccccc2[N+](=O)[O-])C12CCCC2 ZINC000516346742 312320722 /nfs/dbraw/zinc/32/07/22/312320722.db2.gz ICQOHACJPXKJCN-DLBZAZTESA-N 1 0 334.416 3.301 20 5 EGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@H](O)CCc1ccccc1 ZINC000516663188 312336474 /nfs/dbraw/zinc/33/64/74/312336474.db2.gz HERMCLIUQHHGPQ-QAPCUYQASA-N 1 0 326.396 3.165 20 5 EGBDRO C[C@H](C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000519798361 312479369 /nfs/dbraw/zinc/47/93/69/312479369.db2.gz SGVGWEGFLIUXEW-DOTOQJQBSA-N 1 0 345.443 3.175 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(OC(C)C)CC1 ZINC000532633076 313823189 /nfs/dbraw/zinc/82/31/89/313823189.db2.gz RFMPMWJBGBHVNW-UHFFFAOYSA-N 1 0 349.431 3.121 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000539840499 314344690 /nfs/dbraw/zinc/34/46/90/314344690.db2.gz AIWMGEPVYVLBMF-OAHLLOKOSA-N 1 0 347.459 3.370 20 5 EGBDRO COc1ccc(C[C@](C)([NH3+])CNc2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC000540031810 314358421 /nfs/dbraw/zinc/35/84/21/314358421.db2.gz CSOOKGIRTZPGCC-SFHVURJKSA-N 1 0 329.400 3.284 20 5 EGBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1CCCCS1 ZINC000544383646 314691416 /nfs/dbraw/zinc/69/14/16/314691416.db2.gz DPSFDDMEYKMOFU-IUODEOHRSA-N 1 0 337.445 3.187 20 5 EGBDRO CCC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000548487987 315016066 /nfs/dbraw/zinc/01/60/66/315016066.db2.gz KQNNHIVZRGWGST-HIFRSBDPSA-N 1 0 349.431 3.490 20 5 EGBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000550748514 315133917 /nfs/dbraw/zinc/13/39/17/315133917.db2.gz KNOUYBQKBKMUDA-OAHLLOKOSA-N 1 0 347.459 3.253 20 5 EGBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@H]3COc4ccccc4C3)c2c1 ZINC000551200798 315145186 /nfs/dbraw/zinc/14/51/86/315145186.db2.gz LTIOOYISWZWPTL-OAHLLOKOSA-N 1 0 337.379 3.212 20 5 EGBDRO COc1ccc(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)c(C)c1OC ZINC000554712213 315344673 /nfs/dbraw/zinc/34/46/73/315344673.db2.gz XNFAISNBFHKFAY-UHFFFAOYSA-N 1 0 346.383 3.089 20 5 EGBDRO CC(C)SCC[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000562063662 315798011 /nfs/dbraw/zinc/79/80/11/315798011.db2.gz DPEWGVSSECOYKL-LBPRGKRZSA-N 1 0 325.434 3.043 20 5 EGBDRO C[C@H](C(=O)N(CC[NH+](C)C)C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000562300281 315815150 /nfs/dbraw/zinc/81/51/50/315815150.db2.gz AQEFJNBTPCTVHP-AWEZNQCLSA-N 1 0 333.432 3.031 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000564444100 316153132 /nfs/dbraw/zinc/15/31/32/316153132.db2.gz VBHHCPIICCCPDO-INIZCTEOSA-N 1 0 348.447 3.399 20 5 EGBDRO CNc1ccc([N+](=O)[O-])cc1NC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000565779204 316369570 /nfs/dbraw/zinc/36/95/70/316369570.db2.gz SZYQTWPYHYHXIN-QGZVFWFLSA-N 1 0 342.399 3.268 20 5 EGBDRO O=C(CC[NH2+]C[C@H]1CCCC(F)(F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000567707991 316660840 /nfs/dbraw/zinc/66/08/40/316660840.db2.gz GZAIYSWITNAHND-LBPRGKRZSA-N 1 0 341.358 3.339 20 5 EGBDRO C[NH+](C)Cc1ccc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000570411691 317052422 /nfs/dbraw/zinc/05/24/22/317052422.db2.gz QDLULQFVKKUXIG-GOSISDBHSA-N 1 0 325.412 3.434 20 5 EGBDRO C[C@@H](C(=O)NCC1CCCCC1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000570465711 317059743 /nfs/dbraw/zinc/05/97/43/317059743.db2.gz LIFQMPHJFGOXME-HNNXBMFYSA-N 1 0 347.459 3.154 20 5 EGBDRO Cc1ccccc1C[C@H](CO)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000570744651 317100982 /nfs/dbraw/zinc/10/09/82/317100982.db2.gz NTDIFHUYFBUITE-DOTOQJQBSA-N 1 0 328.412 3.466 20 5 EGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCOCC(F)(F)C(F)F ZINC000570863983 317118167 /nfs/dbraw/zinc/11/81/67/317118167.db2.gz NNKSTKMXCMOPQR-NSHDSACASA-N 1 0 336.285 3.089 20 5 EGBDRO CCCC[N@H+](C)C[C@@H](C)Nc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000571728742 317237244 /nfs/dbraw/zinc/23/72/44/317237244.db2.gz PHPHLTTWYRXHTC-CYBMUJFWSA-N 1 0 348.447 3.019 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ncccc1N(C)C ZINC000573646881 317512653 /nfs/dbraw/zinc/51/26/53/317512653.db2.gz HALBCIMWYGOQMH-UVTDQMKNSA-N 1 0 326.400 3.249 20 5 EGBDRO C[C@@H]1CN(C(C)(C)C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C[C@@H](C)O1 ZINC000574054061 317557130 /nfs/dbraw/zinc/55/71/30/317557130.db2.gz SIRSZKADACEKKI-CKEIUWERSA-N 1 0 347.459 3.060 20 5 EGBDRO CCCC[C@@H](C[NH3+])NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000418462274 324306874 /nfs/dbraw/zinc/30/68/74/324306874.db2.gz JZCHPFZRKTXUHZ-HNNXBMFYSA-N 1 0 336.436 3.032 20 5 EGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCCOCC1CCOCC1 ZINC000579252256 325085639 /nfs/dbraw/zinc/08/56/39/325085639.db2.gz YQQJVAVONADMIA-KRWDZBQOSA-N 1 0 334.416 3.005 20 5 EGBDRO CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000581210060 325341804 /nfs/dbraw/zinc/34/18/04/325341804.db2.gz VFFUKWOPAWNTPS-WMLDXEAASA-N 1 0 333.432 3.031 20 5 EGBDRO COC1CCN(C(C)(C)C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000582370785 325436780 /nfs/dbraw/zinc/43/67/80/325436780.db2.gz ZCBKVJPONYCMPR-QGZVFWFLSA-N 1 0 347.459 3.061 20 5 EGBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000583442014 325524753 /nfs/dbraw/zinc/52/47/53/325524753.db2.gz PEUDKOCTVMPMJP-CHWSQXEVSA-N 1 0 343.383 3.243 20 5 EGBDRO C[C@H]1C[C@@H]1c1ccc(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])o1 ZINC000583494952 325529221 /nfs/dbraw/zinc/52/92/21/325529221.db2.gz LLIQILKOJRASQL-JSGCOSHPSA-N 1 0 343.383 3.430 20 5 EGBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[NH+](CC)CC ZINC000356348327 457578518 /nfs/dbraw/zinc/57/85/18/457578518.db2.gz AAPTWKKJDWEULK-UHFFFAOYSA-N 1 0 339.461 3.169 20 5 EGBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CCC1 ZINC000157734179 455225841 /nfs/dbraw/zinc/22/58/41/455225841.db2.gz OCCCWURLTXZYKW-ZJUUUORDSA-N 1 0 325.796 3.353 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000173108265 455232805 /nfs/dbraw/zinc/23/28/05/455232805.db2.gz KQPDVRNDOVXRAF-HZPDHXFCSA-N 1 0 347.459 3.391 20 5 EGBDRO COc1cc(C[N@H+](C)CC2CCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000183254346 455262436 /nfs/dbraw/zinc/26/24/36/455262436.db2.gz UMGNHQPFYIZZRT-UHFFFAOYSA-N 1 0 344.358 3.479 20 5 EGBDRO C[C@H]([NH2+]Cc1ccnc(N2CCCC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000173311966 455263911 /nfs/dbraw/zinc/26/39/11/455263911.db2.gz QWFXDVODAGZQLH-AWEZNQCLSA-N 1 0 326.400 3.441 20 5 EGBDRO CCNC(=O)c1ccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000173323238 455265994 /nfs/dbraw/zinc/26/59/94/455265994.db2.gz URIVGWQWDZPTGD-ZDUSSCGKSA-N 1 0 327.384 3.195 20 5 EGBDRO C[NH+](C)Cc1ccc(C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000183759341 455326273 /nfs/dbraw/zinc/32/62/73/455326273.db2.gz RRDYPWPBAFBUOY-UHFFFAOYSA-N 1 0 347.802 3.240 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)CCc1cccs1 ZINC000173753961 455332175 /nfs/dbraw/zinc/33/21/75/455332175.db2.gz DTMVIBQEPYWWQB-UHFFFAOYSA-N 1 0 347.440 3.468 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1 ZINC000007378919 453068740 /nfs/dbraw/zinc/06/87/40/453068740.db2.gz KKZHBDXHZAKLDD-CHWSQXEVSA-N 1 0 343.383 3.281 20 5 EGBDRO CC(C)[C@@H](CNc1ccc(C(N)=O)cc1[N+](=O)[O-])[NH+]1CCCCCC1 ZINC000012521557 453367641 /nfs/dbraw/zinc/36/76/41/453367641.db2.gz WWTCACSFRSLDCL-QGZVFWFLSA-N 1 0 348.447 3.006 20 5 EGBDRO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000026298201 453795861 /nfs/dbraw/zinc/79/58/61/453795861.db2.gz RSEMDVWEUXVQJS-AWEZNQCLSA-N 1 0 337.383 3.369 20 5 EGBDRO CC(C)(CNc1ccc([N+](=O)[O-])cn1)[N@@H+]1CCc2ccccc2C1 ZINC000026725641 453804921 /nfs/dbraw/zinc/80/49/21/453804921.db2.gz PNYZSGNPIQIRQD-UHFFFAOYSA-N 1 0 326.400 3.239 20 5 EGBDRO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C1CCCCC1 ZINC000027284858 453814292 /nfs/dbraw/zinc/81/42/92/453814292.db2.gz KBHUIPJMLIGBHF-UHFFFAOYSA-N 1 0 335.404 3.197 20 5 EGBDRO C[C@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)[NH+]1CCCC1 ZINC000052641303 453840293 /nfs/dbraw/zinc/84/02/93/453840293.db2.gz BVEOSHDTSRFKAT-LLVKDONJSA-N 1 0 333.413 3.024 20 5 EGBDRO CC[N@H+](CCc1ccccc1)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000052968315 453850850 /nfs/dbraw/zinc/85/08/50/453850850.db2.gz PALFUQGJYXOMTK-UHFFFAOYSA-N 1 0 341.411 3.406 20 5 EGBDRO C[N@@H+](Cc1cccc2ccccc21)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000053017230 453852738 /nfs/dbraw/zinc/85/27/38/453852738.db2.gz CUNBSRZWXAQWFH-UHFFFAOYSA-N 1 0 349.390 3.479 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000067165024 453908258 /nfs/dbraw/zinc/90/82/58/453908258.db2.gz SDQIMCXJAIOVRQ-HNNXBMFYSA-N 1 0 333.432 3.288 20 5 EGBDRO C[C@@H](Nc1ccc([N+](=O)[O-])cc1Br)C1CC[NH+](C)CC1 ZINC000037131106 453934399 /nfs/dbraw/zinc/93/43/99/453934399.db2.gz MGLVQKDGLLLPIC-SNVBAGLBSA-N 1 0 342.237 3.500 20 5 EGBDRO Cc1cccc(C(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000041402628 453965220 /nfs/dbraw/zinc/96/52/20/453965220.db2.gz JTZFVAXGSUEVQI-QGZVFWFLSA-N 1 0 347.459 3.390 20 5 EGBDRO COc1cccc([C@@H](CNc2ncccc2[N+](=O)[O-])[NH+]2CCCC2)c1 ZINC000067948783 453983271 /nfs/dbraw/zinc/98/32/71/453983271.db2.gz VONFPHNLLOFLBJ-QGZVFWFLSA-N 1 0 342.399 3.247 20 5 EGBDRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000076333385 453989974 /nfs/dbraw/zinc/98/99/74/453989974.db2.gz LUSFOOPRMJMICJ-STQMWFEESA-N 1 0 339.461 3.144 20 5 EGBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000068210916 454007893 /nfs/dbraw/zinc/00/78/93/454007893.db2.gz SKXYOWHHLOZMMC-VXGBXAGGSA-N 1 0 339.823 3.098 20 5 EGBDRO C[C@@H]1C[NH+](CCCNc2ccc3cc([N+](=O)[O-])ccc3n2)C[C@@H](C)O1 ZINC000076581287 454017247 /nfs/dbraw/zinc/01/72/47/454017247.db2.gz JKDPDYBNBUIABU-ZIAGYGMSSA-N 1 0 344.415 3.054 20 5 EGBDRO C[NH+](C)[C@@H](CNC(=O)CCc1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000086998143 454055223 /nfs/dbraw/zinc/05/52/23/454055223.db2.gz NLUFMTNZJVFKBF-HNNXBMFYSA-N 1 0 347.440 3.008 20 5 EGBDRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000087124456 454064759 /nfs/dbraw/zinc/06/47/59/454064759.db2.gz GRZYZXBDXAVPHP-HOTGVXAUSA-N 1 0 347.459 3.012 20 5 EGBDRO O=C(CCc1cccc([N+](=O)[O-])c1)NCCCCC[NH+]1CCCCC1 ZINC000087274052 454074668 /nfs/dbraw/zinc/07/46/68/454074668.db2.gz FIXOTDIECGTXIS-UHFFFAOYSA-N 1 0 347.459 3.300 20 5 EGBDRO CC[C@@H](C)C[N@H+](CC)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000245920578 455399443 /nfs/dbraw/zinc/39/94/43/455399443.db2.gz WUOMNRSWSQNGPP-CHWSQXEVSA-N 1 0 337.420 3.298 20 5 EGBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1cccc2ccccc21 ZINC000159757140 455400898 /nfs/dbraw/zinc/40/08/98/455400898.db2.gz MNBLPSBFVLDEDH-UHFFFAOYSA-N 1 0 337.379 3.042 20 5 EGBDRO CC(C)C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000044898264 454125253 /nfs/dbraw/zinc/12/52/53/454125253.db2.gz RUFDTYWKMRYRJS-UHFFFAOYSA-N 1 0 325.796 3.307 20 5 EGBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H]2c2ccsc2)c1 ZINC000046088019 454217231 /nfs/dbraw/zinc/21/72/31/454217231.db2.gz SOVFZLGQYQHBOP-DOTOQJQBSA-N 1 0 348.424 3.233 20 5 EGBDRO CCOC[C@H]1CCC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000089901360 454229820 /nfs/dbraw/zinc/22/98/20/454229820.db2.gz GHADOPHXAXYULC-AWEZNQCLSA-N 1 0 345.399 3.498 20 5 EGBDRO CCC[NH+]1CCC(NC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000119899003 454233304 /nfs/dbraw/zinc/23/33/04/454233304.db2.gz UTUMURNQDOMARF-UHFFFAOYSA-N 1 0 334.420 3.208 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCC[N@@H+](C)C1CCCC1 ZINC000119898318 454233501 /nfs/dbraw/zinc/23/35/01/454233501.db2.gz CBOXQNJDCINMRC-UHFFFAOYSA-N 1 0 334.420 3.208 20 5 EGBDRO CC1(C)CC(Nc2ncnc3cccc([N+](=O)[O-])c32)CC(C)(C)[NH2+]1 ZINC000612438050 460629251 /nfs/dbraw/zinc/62/92/51/460629251.db2.gz FCKWSSHHKPSTLP-UHFFFAOYSA-N 1 0 329.404 3.259 20 5 EGBDRO C[C@H]1CCC[N@H+](Cc2ccccc2CNc2c([N+](=O)[O-])ncn2C)C1 ZINC000071954847 454260990 /nfs/dbraw/zinc/26/09/90/454260990.db2.gz KAKMAUUKRFYSEG-AWEZNQCLSA-N 1 0 343.431 3.172 20 5 EGBDRO CCCC[N@H+](CC(=O)Nc1ccc(OCC)cc1[N+](=O)[O-])C1CC1 ZINC000046602791 454265243 /nfs/dbraw/zinc/26/52/43/454265243.db2.gz OMUGSHPDNSFDCX-UHFFFAOYSA-N 1 0 335.404 3.197 20 5 EGBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1cccc(OC(F)(F)F)c1 ZINC000090539213 454318136 /nfs/dbraw/zinc/31/81/36/454318136.db2.gz YOAQMORMOVOZBV-JTQLQIEISA-N 1 0 344.293 3.041 20 5 EGBDRO CC(C)[C@@H](c1ccccc1)[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090549042 454318242 /nfs/dbraw/zinc/31/82/42/454318242.db2.gz QAMYJRHMVOOHSU-SFHVURJKSA-N 1 0 329.400 3.086 20 5 EGBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(-c2ccncc2)cc1 ZINC000090538217 454318514 /nfs/dbraw/zinc/31/85/14/454318514.db2.gz BZEJYKHMYLIILN-AWEZNQCLSA-N 1 0 337.383 3.204 20 5 EGBDRO CNc1ccc(C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000047188214 454337707 /nfs/dbraw/zinc/33/77/07/454337707.db2.gz WJFJTHUGNBMDIV-CQSZACIVSA-N 1 0 348.447 3.021 20 5 EGBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)CCc1cccs1 ZINC000072800684 454341598 /nfs/dbraw/zinc/34/15/98/454341598.db2.gz KYYBQFXQHNLPSU-GFCCVEGCSA-N 1 0 333.413 3.158 20 5 EGBDRO C[NH+](C)CCOc1ccc(NC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000072928798 454364262 /nfs/dbraw/zinc/36/42/62/454364262.db2.gz SSXUJMHSWFEVKF-UHFFFAOYSA-N 1 0 344.371 3.179 20 5 EGBDRO CCC[C@@H]1CCCN(CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000120925377 454365408 /nfs/dbraw/zinc/36/54/08/454365408.db2.gz DSUPOLKWGYMLAM-CYBMUJFWSA-N 1 0 335.404 3.054 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@H]1CCCC1(C)C ZINC000097105560 454408619 /nfs/dbraw/zinc/40/86/19/454408619.db2.gz BBOOETYAHNXYAT-NHYWBVRUSA-N 1 0 335.404 3.099 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H]1C(C)C ZINC000063618818 454430668 /nfs/dbraw/zinc/43/06/68/454430668.db2.gz ZQPGKFFPSKLRQM-OAHLLOKOSA-N 1 0 335.404 3.052 20 5 EGBDRO C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)CC1CCCC1 ZINC000064021446 454463764 /nfs/dbraw/zinc/46/37/64/454463764.db2.gz AMXDCNXSEUDPOH-UHFFFAOYSA-N 1 0 325.796 3.309 20 5 EGBDRO O=[N+]([O-])c1c(N2CC[NH+](CC3CCCCC3)CC2)nc2sccn21 ZINC000064129181 454466752 /nfs/dbraw/zinc/46/67/52/454466752.db2.gz XSEYPRHLSDVPDG-UHFFFAOYSA-N 1 0 349.460 3.006 20 5 EGBDRO CC(C)(C)NC(=O)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000102420853 454504272 /nfs/dbraw/zinc/50/42/72/454504272.db2.gz WUYQJJCBACOIQQ-UHFFFAOYSA-N 1 0 347.440 3.328 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+]CCOc2ncc(Cl)cc2Cl)cc1 ZINC000134476049 454548520 /nfs/dbraw/zinc/54/85/20/454548520.db2.gz XMEMJGVQCHECGB-UHFFFAOYSA-N 1 0 342.182 3.465 20 5 EGBDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134653580 454574685 /nfs/dbraw/zinc/57/46/85/454574685.db2.gz MNQUMGXJDORQRA-GFCCVEGCSA-N 1 0 341.839 3.489 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@H]([NH+]2CCCC2)C1 ZINC000104685455 454595555 /nfs/dbraw/zinc/59/55/55/454595555.db2.gz HALSIYRAWQSUNM-KRWDZBQOSA-N 1 0 333.432 3.052 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc3[nH]c(=O)[nH]c3c2)cc1[N+](=O)[O-] ZINC000123080088 454599561 /nfs/dbraw/zinc/59/95/61/454599561.db2.gz IJPUPTMXAOTCAI-VXGBXAGGSA-N 1 0 340.383 3.485 20 5 EGBDRO O=[N+]([O-])c1cccc(F)c1CN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134931843 454611581 /nfs/dbraw/zinc/61/15/81/454611581.db2.gz IDXFKWKLMBJHQQ-DYVFJYSZSA-N 1 0 333.407 3.183 20 5 EGBDRO CCCCNC(=O)C1CC[NH+](Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000051182894 454612109 /nfs/dbraw/zinc/61/21/09/454612109.db2.gz WXRHGNYKDGWGIX-UHFFFAOYSA-N 1 0 333.432 3.032 20 5 EGBDRO CC[C@H]1C[C@H](C)C[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000080747815 454627962 /nfs/dbraw/zinc/62/79/62/454627962.db2.gz ANIOOWDWZHRZOP-STQMWFEESA-N 1 0 335.404 3.052 20 5 EGBDRO CN(C(=O)C[N@@H+]1CC[C@@H](c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000123394143 454631781 /nfs/dbraw/zinc/63/17/81/454631781.db2.gz UDTHXBMPQWJFJT-MRXNPFEDSA-N 1 0 339.395 3.047 20 5 EGBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000080771588 454632015 /nfs/dbraw/zinc/63/20/15/454632015.db2.gz WWMWXDGZUBYOJN-HZMBPMFUSA-N 1 0 340.811 3.052 20 5 EGBDRO CC[NH+](CC)Cc1cccc(CNc2c([N+](=O)[O-])c(C)nn2C)c1 ZINC000052427888 454672640 /nfs/dbraw/zinc/67/26/40/454672640.db2.gz FMMRPCXUYQRURH-UHFFFAOYSA-N 1 0 331.420 3.091 20 5 EGBDRO C[C@H]([NH2+]C[C@@H]1CCN(CC(F)(F)F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000124311601 454716749 /nfs/dbraw/zinc/71/67/49/454716749.db2.gz WDEVKFZMGFCKBL-RYUDHWBXSA-N 1 0 331.338 3.130 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CCC(O)CC3)o2)c(Cl)c1 ZINC000162240507 454761484 /nfs/dbraw/zinc/76/14/84/454761484.db2.gz KVHLVDIJOKWDSJ-UHFFFAOYSA-N 1 0 336.775 3.465 20 5 EGBDRO CC[C@@H](NC(=O)N1CC[NH+](CC(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000176688901 454771685 /nfs/dbraw/zinc/77/16/85/454771685.db2.gz CBJRICWXDKCYER-QGZVFWFLSA-N 1 0 348.447 3.029 20 5 EGBDRO C[C@@H]1CCC[C@H](C)[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000125251981 454807470 /nfs/dbraw/zinc/80/74/70/454807470.db2.gz KVNUJGSFRRQJHG-KGLIPLIRSA-N 1 0 347.415 3.403 20 5 EGBDRO COc1ccc(C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000153696905 454822018 /nfs/dbraw/zinc/82/20/18/454822018.db2.gz QVVFURFMVJCCGW-LJQANCHMSA-N 1 0 342.395 3.301 20 5 EGBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000163238375 454833338 /nfs/dbraw/zinc/83/33/38/454833338.db2.gz LENUADLBRXNZIA-DYVFJYSZSA-N 1 0 344.415 3.075 20 5 EGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000142895856 454839593 /nfs/dbraw/zinc/83/95/93/454839593.db2.gz IUEOTYXEIIGEPT-GFCCVEGCSA-N 1 0 329.322 3.288 20 5 EGBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)cc1[N+](=O)[O-] ZINC000153951228 454850409 /nfs/dbraw/zinc/85/04/09/454850409.db2.gz WJTAXYZHMRESAC-KVPRVUCYSA-N 1 0 334.416 3.458 20 5 EGBDRO COCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000266955663 455482784 /nfs/dbraw/zinc/48/27/84/455482784.db2.gz GLHDWCWEVCYGBI-UHFFFAOYSA-N 1 0 347.337 3.136 20 5 EGBDRO CC(C)n1nccc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000112532105 454889123 /nfs/dbraw/zinc/88/91/23/454889123.db2.gz JVGIINIZBPOQCH-CHWSQXEVSA-N 1 0 345.403 3.050 20 5 EGBDRO CSCC[C@@H](C)[N@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000126645178 454908259 /nfs/dbraw/zinc/90/82/59/454908259.db2.gz UYMLBIJTBPHEJK-LLVKDONJSA-N 1 0 326.418 3.035 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CCN(C(=O)C2CCCC2)C1 ZINC000126921428 454927112 /nfs/dbraw/zinc/92/71/12/454927112.db2.gz NONJXBJLZNFASQ-ZBFHGGJFSA-N 1 0 345.443 3.345 20 5 EGBDRO Cc1ccc(CN2CCC(NC(=O)OC(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000154860209 454937369 /nfs/dbraw/zinc/93/73/69/454937369.db2.gz XFJJVHGNAODYSE-UHFFFAOYSA-N 1 0 349.431 3.392 20 5 EGBDRO O=C(C[NH2+][C@H]1CCC[C@H]1c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000155106845 454963768 /nfs/dbraw/zinc/96/37/68/454963768.db2.gz RBIWFQIFYLYIBA-HOTGVXAUSA-N 1 0 339.395 3.459 20 5 EGBDRO C[C@H]1CC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C[C@H](C)C1 ZINC000127810128 455000574 /nfs/dbraw/zinc/00/05/74/455000574.db2.gz VWLLKMYMHXJSNC-UONOGXRCSA-N 1 0 347.415 3.261 20 5 EGBDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)c2cnn(C)c2C)cc1[N+](=O)[O-] ZINC000179399193 455044701 /nfs/dbraw/zinc/04/47/01/455044701.db2.gz LFLIRWPXGPAXTP-NWDGAFQWSA-N 1 0 332.404 3.447 20 5 EGBDRO Cc1cccc(CN(CC[NH+](C)C)C(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000171337774 455063266 /nfs/dbraw/zinc/06/32/66/455063266.db2.gz MWUTUULIVMAKTF-UHFFFAOYSA-N 1 0 347.440 3.169 20 5 EGBDRO CC(C)[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1nc(C2CC2)no1 ZINC000179811569 455083148 /nfs/dbraw/zinc/08/31/48/455083148.db2.gz FEEGYNGQUHDLBG-HNNXBMFYSA-N 1 0 330.388 3.385 20 5 EGBDRO C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000119067281 455123530 /nfs/dbraw/zinc/12/35/30/455123530.db2.gz GKVHTMHDUSPSIW-KBPBESRZSA-N 1 0 346.431 3.369 20 5 EGBDRO CC[C@](C)(NCC(=O)Nc1ccc([N+](=O)[O-])cc1C)c1nccs1 ZINC000173495976 455294016 /nfs/dbraw/zinc/29/40/16/455294016.db2.gz SZMZWYBPADATJZ-INIZCTEOSA-N 1 0 348.428 3.213 20 5 EGBDRO NC(=O)c1ccc(C[NH2+]C2(c3ccccc3)CCCC2)c([N+](=O)[O-])c1 ZINC000183536191 455304008 /nfs/dbraw/zinc/30/40/08/455304008.db2.gz NONULUKJTNMBSQ-UHFFFAOYSA-N 1 0 339.395 3.253 20 5 EGBDRO C[NH+](C)[C@H](CNc1ncc([N+](=O)[O-])cc1Cl)c1ccsc1 ZINC000265562806 455343327 /nfs/dbraw/zinc/34/33/27/455343327.db2.gz SQRQUHGCUINENZ-GFCCVEGCSA-N 1 0 326.809 3.420 20 5 EGBDRO C[NH+](C)[C@@H](CNc1ncc([N+](=O)[O-])cc1Cl)c1ccsc1 ZINC000265562810 455343515 /nfs/dbraw/zinc/34/35/15/455343515.db2.gz SQRQUHGCUINENZ-LBPRGKRZSA-N 1 0 326.809 3.420 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)Nc2cc(F)ccc2F)cc1[N+](=O)[O-] ZINC000181818185 455386192 /nfs/dbraw/zinc/38/61/92/455386192.db2.gz GKXUAFBTQDZFBF-LLVKDONJSA-N 1 0 349.337 3.471 20 5 EGBDRO Cc1ccccc1OC[C@@H](O)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181831047 455387485 /nfs/dbraw/zinc/38/74/85/455387485.db2.gz XSUMAFRWDXQCLQ-RDJZCZTQSA-N 1 0 344.411 3.302 20 5 EGBDRO COc1ccc(NC(=O)C[N@@H+]2[C@H](C)C[C@H]3CCCC[C@H]32)c([N+](=O)[O-])c1 ZINC000246116700 455430180 /nfs/dbraw/zinc/43/01/80/455430180.db2.gz GGDIXWUJSJQVHN-XJKCOSOUSA-N 1 0 347.415 3.195 20 5 EGBDRO C[C@@H]1CC(O)C[C@H](C)[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000191193914 455461168 /nfs/dbraw/zinc/46/11/68/455461168.db2.gz VJYIEKUUBUHMBH-OCZCAGDBSA-N 1 0 345.399 3.026 20 5 EGBDRO Cc1ccccc1C[C@H](CO)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000191562394 455497218 /nfs/dbraw/zinc/49/72/18/455497218.db2.gz KWEGYZOBMNMVRG-QFBILLFUSA-N 1 0 342.439 3.418 20 5 EGBDRO C[C@@H](O)[C@@](C)(C[NH2+]Cc1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000191710070 455512040 /nfs/dbraw/zinc/51/20/40/455512040.db2.gz HUXYUCCQODMAST-DNVCBOLYSA-N 1 0 328.412 3.314 20 5 EGBDRO CCOCCC[N@@H+]1CC[C@@H](Nc2ccc(F)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000246700245 455518594 /nfs/dbraw/zinc/51/85/94/455518594.db2.gz DRJRJSMLOWADBP-DZGCQCFKSA-N 1 0 339.411 3.283 20 5 EGBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](C3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000267234029 455521355 /nfs/dbraw/zinc/52/13/55/455521355.db2.gz WFZGMSOEOANHLT-UHFFFAOYSA-N 1 0 334.376 3.322 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC[N@@H+](C(C)C)CC1 ZINC000267994230 455576142 /nfs/dbraw/zinc/57/61/42/455576142.db2.gz RZDDQJUEXQKVBH-UHFFFAOYSA-N 1 0 334.420 3.160 20 5 EGBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185694412 455598342 /nfs/dbraw/zinc/59/83/42/455598342.db2.gz WRWMVJQZFFWTNS-RDJZCZTQSA-N 1 0 331.460 3.380 20 5 EGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](CO)Cc1ccc(F)cc1 ZINC000271451605 455642746 /nfs/dbraw/zinc/64/27/46/455642746.db2.gz GEXOXYIADAFJCZ-KSSFIOAISA-N 1 0 346.402 3.248 20 5 EGBDRO CCC[C@]1(CO)CCC[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000277751262 455654669 /nfs/dbraw/zinc/65/46/69/455654669.db2.gz LMTNSOMKCWQKLQ-GOSISDBHSA-N 1 0 345.399 3.377 20 5 EGBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000292511343 455682840 /nfs/dbraw/zinc/68/28/40/455682840.db2.gz BAZCKOCCOXEIMM-LLVKDONJSA-N 1 0 327.812 3.098 20 5 EGBDRO COc1cc(C[N@@H+]2CCC[C@H](CSC)C2)c([N+](=O)[O-])cc1F ZINC000292524368 455687891 /nfs/dbraw/zinc/68/78/91/455687891.db2.gz WODTVDCTCAZMQP-NSHDSACASA-N 1 0 328.409 3.318 20 5 EGBDRO CCOCCC[N@@H+]1CC[C@H](N[C@@H](C)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000248173143 455694220 /nfs/dbraw/zinc/69/42/20/455694220.db2.gz VDFQQSFDRLIMFD-BXWFABGCSA-N 1 0 349.475 3.382 20 5 EGBDRO Cc1nccn1C[C@@H](C)C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192824207 455700818 /nfs/dbraw/zinc/70/08/18/455700818.db2.gz ZWNAGBAZERFJFB-UGSOOPFHSA-N 1 0 328.416 3.403 20 5 EGBDRO COC(=O)c1ccc(C[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])o1 ZINC000268911952 455727685 /nfs/dbraw/zinc/72/76/85/455727685.db2.gz SYDSEPDTJWLBCK-LBPRGKRZSA-N 1 0 332.356 3.085 20 5 EGBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCSC[C@@H](C)C1 ZINC000249030700 455741639 /nfs/dbraw/zinc/74/16/39/455741639.db2.gz LYVXHEZRZNNOLA-NWDGAFQWSA-N 1 0 348.428 3.391 20 5 EGBDRO COC(=O)N1CCC([C@H](C)[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000186414580 455763275 /nfs/dbraw/zinc/76/32/75/455763275.db2.gz OQRDYFTVJXCVRU-KBPBESRZSA-N 1 0 349.431 3.421 20 5 EGBDRO O=[N+]([O-])c1ccc(OCCC[NH2+][C@H](CCO)c2ccccc2)cc1 ZINC000271847662 455785001 /nfs/dbraw/zinc/78/50/01/455785001.db2.gz ZHLJNSKNHQRZMZ-GOSISDBHSA-N 1 0 330.384 3.077 20 5 EGBDRO O=C(C[NH2+]CC1CC1)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000269236400 455818722 /nfs/dbraw/zinc/81/87/22/455818722.db2.gz WRASKCPFBLJTDP-UHFFFAOYSA-N 1 0 341.367 3.325 20 5 EGBDRO O=[N+]([O-])c1cc(Br)ccc1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252673731 455827952 /nfs/dbraw/zinc/82/79/52/455827952.db2.gz LQRCYPRNEWJYQB-RYUDHWBXSA-N 1 0 340.221 3.396 20 5 EGBDRO COC(=O)N1CCC([C@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000186770377 455834941 /nfs/dbraw/zinc/83/49/41/455834941.db2.gz OXOZXBPPNVMMED-KBPBESRZSA-N 1 0 349.431 3.421 20 5 EGBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H](O)c1c(F)cccc1F ZINC000285387784 455834958 /nfs/dbraw/zinc/83/49/58/455834958.db2.gz SDDWDEQCVWCIOG-MRXNPFEDSA-N 1 0 336.338 3.081 20 5 EGBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2C[C@H](c3ccccc3)[C@@H]3CCC[C@@H]32)n1 ZINC000285549455 455867733 /nfs/dbraw/zinc/86/77/33/455867733.db2.gz UNHUQYNTLMHNEA-BBWFWOEESA-N 1 0 326.400 3.059 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000255596727 455870821 /nfs/dbraw/zinc/87/08/21/455870821.db2.gz XOXHWCPUMDQEAR-KAQJZCPUSA-N 1 0 334.441 3.252 20 5 EGBDRO COCCCOC1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255629078 455871243 /nfs/dbraw/zinc/87/12/43/455871243.db2.gz AGGYAUSDEFMIJV-DAXSKMNVSA-N 1 0 334.416 3.126 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCCN(c2nccs2)CC1 ZINC000255774683 455873252 /nfs/dbraw/zinc/87/32/52/455873252.db2.gz OHEDGOYQZWYOAY-UTCJRWHESA-N 1 0 344.440 3.277 20 5 EGBDRO Cc1cccc(C(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000187185754 455878922 /nfs/dbraw/zinc/87/89/22/455878922.db2.gz BVGUPXZKDJLUFQ-KDOFPFPSSA-N 1 0 341.411 3.324 20 5 EGBDRO COc1cc(C[N@@H+]2CC[C@@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272233219 455885691 /nfs/dbraw/zinc/88/56/91/455885691.db2.gz FDKKTGFKWJTGIK-SNVBAGLBSA-N 1 0 330.331 3.089 20 5 EGBDRO Cc1c(NC(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)cccc1[N+](=O)[O-] ZINC000270147149 455888892 /nfs/dbraw/zinc/88/88/92/455888892.db2.gz QJXZNYWURMWSOO-OAHLLOKOSA-N 1 0 346.431 3.099 20 5 EGBDRO C[NH+]1CCC([C@H]2CCN(c3ccc([N+](=O)[O-])c4cnccc43)C2)CC1 ZINC000270194290 455898989 /nfs/dbraw/zinc/89/89/89/455898989.db2.gz PAFCMKSBMLCEFA-HNNXBMFYSA-N 1 0 340.427 3.311 20 5 EGBDRO CC1(C)[C@H]([NH2+]Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H]2CCO[C@@H]21 ZINC000296320073 455908598 /nfs/dbraw/zinc/90/85/98/455908598.db2.gz QFWFCTHSCIQBMP-OAGGEKHMSA-N 1 0 343.383 3.153 20 5 EGBDRO Cc1n[nH]c(CC[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)n1 ZINC000272362811 455925588 /nfs/dbraw/zinc/92/55/88/455925588.db2.gz CFDZUBKIWCLYCV-UHFFFAOYSA-N 1 0 343.412 3.082 20 5 EGBDRO Cc1c(Br)c(NCC2([NH3+])CCCCC2)ncc1[N+](=O)[O-] ZINC000261705935 455932782 /nfs/dbraw/zinc/93/27/82/455932782.db2.gz IYWGBSNORHEORL-UHFFFAOYSA-N 1 0 343.225 3.134 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000296438655 455938728 /nfs/dbraw/zinc/93/87/28/455938728.db2.gz XEFIDGREAYFWMI-UHFFFAOYSA-N 1 0 332.404 3.042 20 5 EGBDRO O=[N+]([O-])c1ccccc1CN1CC[NH2+]C[C@@H]1c1cccc(Cl)c1 ZINC000261780556 455946630 /nfs/dbraw/zinc/94/66/30/455946630.db2.gz MWYXPFPXJIYEKX-QGZVFWFLSA-N 1 0 331.803 3.395 20 5 EGBDRO Cn1ccnc1[C@@H]([NH2+]C[C@@H]1CC=CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000272470322 455961182 /nfs/dbraw/zinc/96/11/82/455961182.db2.gz AERNIUFTFFJICI-PBHICJAKSA-N 1 0 326.400 3.364 20 5 EGBDRO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000272479685 455964265 /nfs/dbraw/zinc/96/42/65/455964265.db2.gz MBHGWEVUCMMTSR-ZFWWWQNUSA-N 1 0 349.431 3.330 20 5 EGBDRO COC[C@@]1(C)CC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000296658753 456003601 /nfs/dbraw/zinc/00/36/01/456003601.db2.gz JRPZQYMCDFJCLQ-KRWDZBQOSA-N 1 0 331.372 3.108 20 5 EGBDRO C[S@@](=O)C1(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCC1 ZINC000280613456 456013197 /nfs/dbraw/zinc/01/31/97/456013197.db2.gz KIBYHOVLNXSESW-XMMPIXPASA-N 1 0 348.424 3.246 20 5 EGBDRO Cc1ccc(C(=O)Nc2ncc(C3CC[NH2+]CC3)s2)cc1[N+](=O)[O-] ZINC000262228654 456014713 /nfs/dbraw/zinc/01/47/13/456014713.db2.gz GMUQWRMCSRBPFT-UHFFFAOYSA-N 1 0 346.412 3.079 20 5 EGBDRO CCC(=O)c1ccc(N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c([N+](=O)[O-])c1 ZINC000280683262 456029824 /nfs/dbraw/zinc/02/98/24/456029824.db2.gz IRHSYZLADNPHIN-CABCVRRESA-N 1 0 331.416 3.108 20 5 EGBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000296940396 456071527 /nfs/dbraw/zinc/07/15/27/456071527.db2.gz VHIWJEPXQVHSHZ-GJZGRUSLSA-N 1 0 348.447 3.029 20 5 EGBDRO Cc1cc(NCCCc2cnn(C)c2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272802858 456074343 /nfs/dbraw/zinc/07/43/43/456074343.db2.gz FEOXTFMJCFZSFH-UHFFFAOYSA-N 1 0 325.372 3.230 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCC[C@@H](O)C3)o2)c(Cl)c1 ZINC000270995923 456091299 /nfs/dbraw/zinc/09/12/99/456091299.db2.gz JSUHJFYFRKYZNR-GFCCVEGCSA-N 1 0 336.775 3.465 20 5 EGBDRO CC(=O)c1ccc(N2CCC(CCC[NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000271024437 456100110 /nfs/dbraw/zinc/10/01/10/456100110.db2.gz ZSRMGWXEICLTMC-UHFFFAOYSA-N 1 0 333.432 3.356 20 5 EGBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000301558547 456146205 /nfs/dbraw/zinc/14/62/05/456146205.db2.gz TWVKKLXFUTXGMI-JQWIXIFHSA-N 1 0 331.338 3.390 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC([NH2+]C(C)C)CC1 ZINC000289831975 456148375 /nfs/dbraw/zinc/14/83/75/456148375.db2.gz PCLIAPMQDIZWGP-UHFFFAOYSA-N 1 0 334.420 3.152 20 5 EGBDRO Cc1cc([N+](=O)[O-])cnc1N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000301628506 456167492 /nfs/dbraw/zinc/16/74/92/456167492.db2.gz RQITWUVXGCEORO-GDBMZVCRSA-N 1 0 326.400 3.373 20 5 EGBDRO C[C@H]1C[C@@H](CC[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CCO1 ZINC000273084251 456172577 /nfs/dbraw/zinc/17/25/77/456172577.db2.gz RHSMBDNYHWZNQG-RYUDHWBXSA-N 1 0 344.358 3.491 20 5 EGBDRO C[C@H]1C[N@H+](Cc2ccccc2)CCN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000301747479 456205675 /nfs/dbraw/zinc/20/56/75/456205675.db2.gz QYQWQCSWAMSYEJ-ZDUSSCGKSA-N 1 0 346.818 3.354 20 5 EGBDRO COc1cc(N2CC[NH+](C3CCCCC3)CC2)c(F)cc1[N+](=O)[O-] ZINC000301909533 456248642 /nfs/dbraw/zinc/24/86/42/456248642.db2.gz BAWCLALXUJPYND-UHFFFAOYSA-N 1 0 337.395 3.197 20 5 EGBDRO Cc1c(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000301963276 456260570 /nfs/dbraw/zinc/26/05/70/456260570.db2.gz RKGIKVBSNIGHGH-AWEZNQCLSA-N 1 0 335.404 3.002 20 5 EGBDRO CC[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000297817998 456300556 /nfs/dbraw/zinc/30/05/56/456300556.db2.gz IZWLJJJUTMSINK-CYBMUJFWSA-N 1 0 335.404 3.197 20 5 EGBDRO Cc1cc(N2CCC([NH2+][C@H](C)c3ccc(C)c([N+](=O)[O-])c3)CC2)n[nH]1 ZINC000275983738 456363938 /nfs/dbraw/zinc/36/39/38/456363938.db2.gz YOFXBFDCZRUEDK-CQSZACIVSA-N 1 0 343.431 3.254 20 5 EGBDRO Cc1cc(NC(=O)NCC[C@H](C)[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000352878971 456384269 /nfs/dbraw/zinc/38/42/69/456384269.db2.gz VIQNHYGIYYZHPR-AWEZNQCLSA-N 1 0 334.420 3.289 20 5 EGBDRO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)[C@H](CO)c1ccccc1 ZINC000343113953 456414929 /nfs/dbraw/zinc/41/49/29/456414929.db2.gz RFPJDXSLYYHFCP-GOSISDBHSA-N 1 0 330.384 3.029 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000340494816 456492043 /nfs/dbraw/zinc/49/20/43/456492043.db2.gz ADJNFFFITGTZBS-ZOBUZTSGSA-N 1 0 345.443 3.381 20 5 EGBDRO O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)c1csc([N+](=O)[O-])c1 ZINC000298744147 456529787 /nfs/dbraw/zinc/52/97/87/456529787.db2.gz MUGBOHSEFWATBJ-OAHLLOKOSA-N 1 0 345.424 3.223 20 5 EGBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)c1nc2ccccc2cc1[N+](=O)[O-] ZINC000276711994 456558910 /nfs/dbraw/zinc/55/89/10/456558910.db2.gz YNCVHHDJHINUMK-ZDUSSCGKSA-N 1 0 328.416 3.310 20 5 EGBDRO CCC[N@H+](C)C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])c(OCC)c2)C1 ZINC000276952878 456629755 /nfs/dbraw/zinc/62/97/55/456629755.db2.gz UPHBOPIIDPIMHB-INIZCTEOSA-N 1 0 335.448 3.157 20 5 EGBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000299363259 456669505 /nfs/dbraw/zinc/66/95/05/456669505.db2.gz JHWGTVHELDQLDC-ZDUSSCGKSA-N 1 0 345.399 3.191 20 5 EGBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000324614472 456671528 /nfs/dbraw/zinc/67/15/28/456671528.db2.gz LWRFGZUWQMJNHB-WDEREUQCSA-N 1 0 326.356 3.176 20 5 EGBDRO Cc1ccc(OC[C@H](O)C[NH2+]Cc2cccc([N+](=O)[O-])c2C)c(C)c1 ZINC000327676011 456707450 /nfs/dbraw/zinc/70/74/50/456707450.db2.gz MQZWFILNSJPKME-QGZVFWFLSA-N 1 0 344.411 3.050 20 5 EGBDRO O=[N+]([O-])c1ccc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1F ZINC000283311540 456755970 /nfs/dbraw/zinc/75/59/70/456755970.db2.gz ZAOMKWDAQBHOGE-YOEHRIQHSA-N 1 0 333.407 3.183 20 5 EGBDRO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000338306458 456763369 /nfs/dbraw/zinc/76/33/69/456763369.db2.gz VCVSKGZZQBHLBF-UHFFFAOYSA-N 1 0 341.411 3.235 20 5 EGBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N(C)CCC[N@H+](C)Cc1ccco1 ZINC000340923735 456763933 /nfs/dbraw/zinc/76/39/33/456763933.db2.gz WTUMEEJGWNKQFW-UHFFFAOYSA-N 1 0 345.399 3.349 20 5 EGBDRO C[C@@H]1CC[C@@H](C[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000353591203 456788525 /nfs/dbraw/zinc/78/85/25/456788525.db2.gz WWKDWGFBSLYNGA-CPUCHLNUSA-N 1 0 328.416 3.444 20 5 EGBDRO CC1(C)CN(c2ncccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000301179625 456814455 /nfs/dbraw/zinc/81/44/55/456814455.db2.gz NYNPAFUMTJJYAP-UHFFFAOYSA-N 1 0 326.400 3.091 20 5 EGBDRO CO[C@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1(C)C ZINC000344700526 456849745 /nfs/dbraw/zinc/84/97/45/456849745.db2.gz QKEJVPFDQXIDSX-OLZOCXBDSA-N 1 0 330.331 3.099 20 5 EGBDRO COCC(C)(C)[N@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000292117882 456858896 /nfs/dbraw/zinc/85/88/96/456858896.db2.gz JTQDCPWIVAOJRG-UHFFFAOYSA-N 1 0 333.388 3.149 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](C[C@H]3C[C@H]3c3ccccc3)C2)nc1 ZINC000353712809 456867443 /nfs/dbraw/zinc/86/74/43/456867443.db2.gz QCRVWVSQZJIRLX-NUJGCVRESA-N 1 0 338.411 3.280 20 5 EGBDRO O=[N+]([O-])c1ccc(C[N@@H+](C[C@@H](O)Cc2ccc(F)cc2)C2CC2)cc1 ZINC000339059216 456920994 /nfs/dbraw/zinc/92/09/94/456920994.db2.gz HHKZOBDVLZKFLD-IBGZPJMESA-N 1 0 344.386 3.302 20 5 EGBDRO Cc1ccc(NC(=O)N(C)CC[NH+](C(C)C)C(C)C)cc1[N+](=O)[O-] ZINC000356528125 457037911 /nfs/dbraw/zinc/03/79/11/457037911.db2.gz PYNVVPFCWJIRBX-UHFFFAOYSA-N 1 0 336.436 3.486 20 5 EGBDRO CC[C@H](C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C)[NH+](CC)CC ZINC000359256492 457069589 /nfs/dbraw/zinc/06/95/89/457069589.db2.gz FUACPMMUUAWLBT-QGZVFWFLSA-N 1 0 335.448 3.452 20 5 EGBDRO COc1ccc(C[NH2+]CCc2ccccc2[N+](=O)[O-])c(C)c1OC ZINC000342135348 457128640 /nfs/dbraw/zinc/12/86/40/457128640.db2.gz HCBIUBVGMAUGKE-UHFFFAOYSA-N 1 0 330.384 3.253 20 5 EGBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[C@@H]1C ZINC000354389565 457194328 /nfs/dbraw/zinc/19/43/28/457194328.db2.gz JBWXYFNNLKSCRR-SMDDNHRTSA-N 1 0 339.823 3.193 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CC3=CCCOC3)cs2)c1 ZINC000342278277 457208066 /nfs/dbraw/zinc/20/80/66/457208066.db2.gz CVPPQQYCLFHLQC-UHFFFAOYSA-N 1 0 331.397 3.155 20 5 EGBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C[C@H]1C ZINC000354417877 457208514 /nfs/dbraw/zinc/20/85/14/457208514.db2.gz DQMYUKQGZXGIAX-TZMCWYRMSA-N 1 0 344.415 3.021 20 5 EGBDRO C[C@@H]1CCC[C@H]([NH2+]CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)[C@H]1C ZINC000331725186 457240347 /nfs/dbraw/zinc/24/03/47/457240347.db2.gz WSHAEHDXTJKSQJ-IPYPFGDCSA-N 1 0 347.415 3.307 20 5 EGBDRO CCOc1cc(N2CCN(c3cc[nH+]cc3C)CC2)ccc1[N+](=O)[O-] ZINC000360108176 457259239 /nfs/dbraw/zinc/25/92/39/457259239.db2.gz ORLOAODFGIKJMY-UHFFFAOYSA-N 1 0 342.399 3.024 20 5 EGBDRO C[C@H]1CCCC[C@H]1OCC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000331872154 457265905 /nfs/dbraw/zinc/26/59/05/457265905.db2.gz HDZPVLORRSPJDK-GOEBONIOSA-N 1 0 336.436 3.024 20 5 EGBDRO CCOc1ccc([C@@H]2CCCN2Cc2c([N+](=O)[O-])ncn2C)cc1 ZINC000363355992 457304408 /nfs/dbraw/zinc/30/44/08/457304408.db2.gz NEYBCHPQIFJSNT-HNNXBMFYSA-N 1 0 330.388 3.064 20 5 EGBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)c1 ZINC000363391624 457309845 /nfs/dbraw/zinc/30/98/45/457309845.db2.gz WMLBMEDQLIGVTR-GFCCVEGCSA-N 1 0 349.456 3.063 20 5 EGBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000347279240 457327575 /nfs/dbraw/zinc/32/75/75/457327575.db2.gz XDXMPHOSHJWOEW-TXEJJXNPSA-N 1 0 338.383 3.118 20 5 EGBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000360842821 457379596 /nfs/dbraw/zinc/37/95/96/457379596.db2.gz QVKQCCCIFCCEFV-ZDUSSCGKSA-N 1 0 349.460 3.430 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(Cn2cncn2)CC1 ZINC000347372138 457381521 /nfs/dbraw/zinc/38/15/21/457381521.db2.gz KKZQLBQXDZBQQO-DHDCSXOGSA-N 1 0 341.415 3.002 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)n1 ZINC000360868493 457393700 /nfs/dbraw/zinc/39/37/00/457393700.db2.gz BKHHPCPKCSLHJK-ZBFHGGJFSA-N 1 0 326.400 3.373 20 5 EGBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000360901216 457421806 /nfs/dbraw/zinc/42/18/06/457421806.db2.gz HAOAQDTZKBMWRH-UHFFFAOYSA-N 1 0 345.443 3.498 20 5 EGBDRO CO[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425437152 457553955 /nfs/dbraw/zinc/55/39/55/457553955.db2.gz XVJQXVUOBVSZSI-TZMCWYRMSA-N 1 0 343.221 3.405 20 5 EGBDRO CSC1(CNc2c(F)cc([N+](=O)[O-])cc2F)CC[NH+](C)CC1 ZINC000357568566 457599599 /nfs/dbraw/zinc/59/95/99/457599599.db2.gz ODJLRLFIWLDWGM-UHFFFAOYSA-N 1 0 331.388 3.112 20 5 EGBDRO CSc1cccc(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)c1[N+](=O)[O-] ZINC000364517543 457630846 /nfs/dbraw/zinc/63/08/46/457630846.db2.gz IIIKAPOOBAEMIS-LBPRGKRZSA-N 1 0 349.456 3.063 20 5 EGBDRO O=[N+]([O-])c1ccn(CC[N@H+]2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)n1 ZINC000374573720 457663511 /nfs/dbraw/zinc/66/35/11/457663511.db2.gz VYUUGSUHECACBI-BJWYYQGGSA-N 1 0 326.400 3.202 20 5 EGBDRO Cn1cc(C[N@@H+]2CC[C@@H](C3CC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000370543980 457670994 /nfs/dbraw/zinc/67/09/94/457670994.db2.gz NOCXDQBWMQXQHK-OAHLLOKOSA-N 1 0 326.400 3.227 20 5 EGBDRO C[C@@H]1[C@@H](C)CCC[N@@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000357729946 457671303 /nfs/dbraw/zinc/67/13/03/457671303.db2.gz JUOXMVRGHPVCQH-QWHCGFSZSA-N 1 0 333.388 3.013 20 5 EGBDRO COc1ccc(CN(C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1C ZINC000361269371 457673359 /nfs/dbraw/zinc/67/33/59/457673359.db2.gz ZXZPTBHASIQAJO-UHFFFAOYSA-N 1 0 340.383 3.420 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CN(C)Cc2ccccc21 ZINC000364735032 457683106 /nfs/dbraw/zinc/68/31/06/457683106.db2.gz SGHAHNQUSBCHGX-KRWDZBQOSA-N 1 0 340.383 3.211 20 5 EGBDRO Cn1cc(C[C@H]2CC[N@H+](Cc3cc([N+](=O)[O-])ccc3Cl)C2)cn1 ZINC000361403576 457719682 /nfs/dbraw/zinc/71/96/82/457719682.db2.gz JDVWCDGZOBPEDG-GFCCVEGCSA-N 1 0 334.807 3.046 20 5 EGBDRO CSc1ccccc1C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000358047377 457751897 /nfs/dbraw/zinc/75/18/97/457751897.db2.gz JGTREJJZOINWAA-CQSZACIVSA-N 1 0 344.440 3.398 20 5 EGBDRO CC1(C)C[C@@H]([NH2+]CCOCC(F)(F)F)c2cc([N+](=O)[O-])ccc21 ZINC000433149653 457765612 /nfs/dbraw/zinc/76/56/12/457765612.db2.gz JPCJHYNNUPDKKJ-CYBMUJFWSA-N 1 0 332.322 3.486 20 5 EGBDRO COc1cccc2c1CC[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)C2 ZINC000426060742 457768183 /nfs/dbraw/zinc/76/81/83/457768183.db2.gz IOPYSDXYJWWXDQ-INIZCTEOSA-N 1 0 326.396 3.293 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](C)C[C@H](C)C1 ZINC000443648928 457796183 /nfs/dbraw/zinc/79/61/83/457796183.db2.gz GBDURROLYXWCQU-KBPBESRZSA-N 1 0 349.431 3.300 20 5 EGBDRO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433288047 457798692 /nfs/dbraw/zinc/79/86/92/457798692.db2.gz XYULPKKJTRRWMZ-UUWFMWQGSA-N 1 0 329.444 3.390 20 5 EGBDRO CC(C)C(=O)NCCC[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433303348 457804456 /nfs/dbraw/zinc/80/44/56/457804456.db2.gz KSESXNWKVNCKDZ-MRXNPFEDSA-N 1 0 333.432 3.069 20 5 EGBDRO COc1ccc(-c2ccc(C[N@@H+]3CC[C@H](C)[C@H]3CO)o2)c([N+](=O)[O-])c1 ZINC000443857985 457817574 /nfs/dbraw/zinc/81/75/74/457817574.db2.gz VWOYMWGSXWJUFO-YVEFUNNKSA-N 1 0 346.383 3.066 20 5 EGBDRO Cc1cc(NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc[nH+]1 ZINC000358153807 457818659 /nfs/dbraw/zinc/81/86/59/457818659.db2.gz QSFPHNMSXXANLE-UHFFFAOYSA-N 1 0 340.305 3.263 20 5 EGBDRO COc1ccc(NC(=O)CC[N@H+](C)[C@H]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000411171363 457819686 /nfs/dbraw/zinc/81/96/86/457819686.db2.gz DHFPQBXHQGYWNC-KBPBESRZSA-N 1 0 349.431 3.443 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H]1C(C)(C)C ZINC000411243839 457840127 /nfs/dbraw/zinc/84/01/27/457840127.db2.gz YJHQOKKOBWKNGW-INIZCTEOSA-N 1 0 349.431 3.443 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+]([C@@H]3C[C@H]3c3cccc(F)c3)C2)nc1 ZINC000411372984 457867595 /nfs/dbraw/zinc/86/75/95/457867595.db2.gz GSKPIAVIEBHHRP-HYVNUMGLSA-N 1 0 342.374 3.171 20 5 EGBDRO C[C@H](c1ccccn1)[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411412913 457880707 /nfs/dbraw/zinc/88/07/07/457880707.db2.gz CLIBRQIELVOJDM-CYBMUJFWSA-N 1 0 328.372 3.011 20 5 EGBDRO CCC1(CC)[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H]1OC ZINC000444697457 457945608 /nfs/dbraw/zinc/94/56/08/457945608.db2.gz KJXJYIMHVAGFRP-HUUCEWRRSA-N 1 0 332.404 3.154 20 5 EGBDRO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC(C)(C)C1 ZINC000411747358 457968629 /nfs/dbraw/zinc/96/86/29/457968629.db2.gz JFIJZHVAJBLIKH-MRXNPFEDSA-N 1 0 349.431 3.203 20 5 EGBDRO Cc1ccc([C@H](C)NC(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000458495650 458070123 /nfs/dbraw/zinc/07/01/23/458070123.db2.gz HSJZSAGYUJJDJP-HOCLYGCPSA-N 1 0 348.447 3.088 20 5 EGBDRO Cc1ccc([C@@H](C)NC(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000458495648 458070491 /nfs/dbraw/zinc/07/04/91/458070491.db2.gz HSJZSAGYUJJDJP-GDBMZVCRSA-N 1 0 348.447 3.088 20 5 EGBDRO O=C(C[N@@H+]1CCCC2(CCCC2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000445852090 458101296 /nfs/dbraw/zinc/10/12/96/458101296.db2.gz OHRUOFWKEKOLFP-UHFFFAOYSA-N 1 0 343.427 3.140 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@]2(CO)C[C@H]2c2ccc(F)cc2)c(F)c1 ZINC000428552492 458168606 /nfs/dbraw/zinc/16/86/06/458168606.db2.gz VLOFAHVATYWGNY-FUHWJXTLSA-N 1 0 348.349 3.129 20 5 EGBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@H]1C ZINC000446493063 458192457 /nfs/dbraw/zinc/19/24/57/458192457.db2.gz DMDIFNYZRKLSNM-KGLIPLIRSA-N 1 0 334.420 3.240 20 5 EGBDRO COc1ccc(C[NH2+]Cc2c[nH]nc2-c2ccsc2)cc1[N+](=O)[O-] ZINC000436248484 458274686 /nfs/dbraw/zinc/27/46/86/458274686.db2.gz SSGOLWXKUGLVFU-UHFFFAOYSA-N 1 0 344.396 3.345 20 5 EGBDRO C[C@@H](C1CCCCC1)[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000447394164 458292469 /nfs/dbraw/zinc/29/24/69/458292469.db2.gz KVCAXLAFUYNNCS-YOEHRIQHSA-N 1 0 336.432 3.235 20 5 EGBDRO CC[N@H+](CCNc1c2c(ccc1[N+](=O)[O-])NCC2)CCC(F)(F)F ZINC000436376829 458296450 /nfs/dbraw/zinc/29/64/50/458296450.db2.gz DHOZJNJXCYAMOR-UHFFFAOYSA-N 1 0 346.353 3.249 20 5 EGBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCOC2CCCCC2)n1 ZINC000447530924 458305230 /nfs/dbraw/zinc/30/52/30/458305230.db2.gz PQOJAPZNHWFERW-HOTGVXAUSA-N 1 0 336.436 3.214 20 5 EGBDRO CNC(=O)c1ccc(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000447535114 458306978 /nfs/dbraw/zinc/30/69/78/458306978.db2.gz CUCBQOPWTHJWIA-SFHVURJKSA-N 1 0 339.395 3.122 20 5 EGBDRO COC1(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCCCC1 ZINC000447597839 458319413 /nfs/dbraw/zinc/31/94/13/458319413.db2.gz TXCQMXLLKGNTAN-HUUCEWRRSA-N 1 0 336.436 3.214 20 5 EGBDRO COC(=O)[C@H]1CC[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)[C@H]1C(C)C ZINC000429359740 458320801 /nfs/dbraw/zinc/32/08/01/458320801.db2.gz DSKYUFUQHOVUQG-KMFMINBZSA-N 1 0 334.416 3.484 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@@H]1CC[C@H](C)C1 ZINC000429565064 458347137 /nfs/dbraw/zinc/34/71/37/458347137.db2.gz RGRJUKNSSAHDSK-QWHCGFSZSA-N 1 0 335.404 3.052 20 5 EGBDRO Cc1ccc(NC(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)cc1[N+](=O)[O-] ZINC000447911244 458365451 /nfs/dbraw/zinc/36/54/51/458365451.db2.gz ZJTKVTPERBKUIO-HNNXBMFYSA-N 1 0 334.420 3.145 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000459509709 458395216 /nfs/dbraw/zinc/39/52/16/458395216.db2.gz LAOWTDGETZUCMJ-AWEZNQCLSA-N 1 0 334.420 3.065 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000430208233 458420903 /nfs/dbraw/zinc/42/09/03/458420903.db2.gz AWQBECUKWQJYAD-QGZVFWFLSA-N 1 0 333.432 3.054 20 5 EGBDRO COC[C@H](Cc1ccccc1)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430237910 458425983 /nfs/dbraw/zinc/42/59/83/458425983.db2.gz KCAQFXHJEPUOBT-SFHVURJKSA-N 1 0 344.411 3.293 20 5 EGBDRO C[C@@H]1CCCC[C@@]1(C)[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000459610013 458426980 /nfs/dbraw/zinc/42/69/80/458426980.db2.gz KGHGOCGDPZWGAU-FZKQIMNGSA-N 1 0 331.416 3.042 20 5 EGBDRO C[C@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])s2)CC[N@@H+]1Cc1ccccc1 ZINC000377081624 458456663 /nfs/dbraw/zinc/45/66/63/458456663.db2.gz KOQLEVHFFYWHGN-JSGCOSHPSA-N 1 0 345.424 3.049 20 5 EGBDRO C[C@H]([NH3+])c1ccc(C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000423730396 458476865 /nfs/dbraw/zinc/47/68/65/458476865.db2.gz WPOAGLBEINEQAT-ZDUSSCGKSA-N 1 0 339.395 3.419 20 5 EGBDRO CCC[C@H]([NH2+]CC(=O)Nc1ccc(OCC)cc1[N+](=O)[O-])C1CCC1 ZINC000459807217 458484206 /nfs/dbraw/zinc/48/42/06/458484206.db2.gz QXMWVLIMRHGXRV-HNNXBMFYSA-N 1 0 349.431 3.490 20 5 EGBDRO Cc1c(C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)cccc1[N+](=O)[O-] ZINC000437847524 458501400 /nfs/dbraw/zinc/50/14/00/458501400.db2.gz YUQBBIICCDRQCL-MRXNPFEDSA-N 1 0 345.443 3.430 20 5 EGBDRO COCCC[NH+]1CCC(Nc2ccnc3c2cccc3[N+](=O)[O-])CC1 ZINC000432342143 458720391 /nfs/dbraw/zinc/72/03/91/458720391.db2.gz GOMHDQNPODVJLS-UHFFFAOYSA-N 1 0 344.415 3.056 20 5 EGBDRO CCC[C@H]([NH2+]C(C)C)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000503869514 458726776 /nfs/dbraw/zinc/72/67/76/458726776.db2.gz HQDZBIIZKNKIRJ-AWEZNQCLSA-N 1 0 341.839 3.074 20 5 EGBDRO Cc1c(CC(=O)NC[C@@H]2CCCC[N@H+]2CC(C)C)cccc1[N+](=O)[O-] ZINC000439692042 458740194 /nfs/dbraw/zinc/74/01/94/458740194.db2.gz IINZEBMROROZTO-KRWDZBQOSA-N 1 0 347.459 3.072 20 5 EGBDRO CN(C)c1cccc(C[N@H+](C)CCOc2cccc([N+](=O)[O-])c2)c1 ZINC000432447384 458741314 /nfs/dbraw/zinc/74/13/14/458741314.db2.gz MBDNABPFXODUCN-UHFFFAOYSA-N 1 0 329.400 3.172 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3scnc3C3CC3)C2)nc1 ZINC000494940500 458769642 /nfs/dbraw/zinc/76/96/42/458769642.db2.gz SPWNTWQYEBJQPB-LBPRGKRZSA-N 1 0 345.428 3.010 20 5 EGBDRO COC(=O)COc1ccc(C[N@H+](C2CC2)C2CCCC2)cc1[N+](=O)[O-] ZINC000530553348 458789972 /nfs/dbraw/zinc/78/99/72/458789972.db2.gz SLYJVWVPOSXFAG-UHFFFAOYSA-N 1 0 348.399 3.054 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000531014717 458859927 /nfs/dbraw/zinc/85/99/27/458859927.db2.gz KVRMSTIECJTVDL-CQSZACIVSA-N 1 0 334.420 3.063 20 5 EGBDRO C[C@@H]1C[C@H](NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC000440909534 458863112 /nfs/dbraw/zinc/86/31/12/458863112.db2.gz GDMXSTHHYIMXLQ-OCCSQVGLSA-N 1 0 345.443 3.247 20 5 EGBDRO CC(C)(C)OC(=O)N1CC2(CC([NH2+]Cc3ccccc3[N+](=O)[O-])C2)C1 ZINC000495735309 458934420 /nfs/dbraw/zinc/93/44/20/458934420.db2.gz VDHGJWCDAMCMHS-UHFFFAOYSA-N 1 0 347.415 3.084 20 5 EGBDRO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)[C@H](CCO)c1ccccc1 ZINC000441423599 458939609 /nfs/dbraw/zinc/93/96/09/458939609.db2.gz SQJAWKFIDHQCDJ-LJQANCHMSA-N 1 0 344.411 3.419 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@]1(CO)Cc1ccccc1 ZINC000475373168 458940922 /nfs/dbraw/zinc/94/09/22/458940922.db2.gz WEVDMKMNMSWVNU-FQEVSTJZSA-N 1 0 340.423 3.473 20 5 EGBDRO CCc1cccc(OC[C@@H](O)C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000556289723 458946631 /nfs/dbraw/zinc/94/66/31/458946631.db2.gz RGPJZPCZGYPWIJ-KSSFIOAISA-N 1 0 344.411 3.248 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000475643776 458956275 /nfs/dbraw/zinc/95/62/75/458956275.db2.gz XRDLAMBTTCIFFD-IUODEOHRSA-N 1 0 348.447 3.454 20 5 EGBDRO CC[C@@H]1C[C@H](C)C[N@@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000467208546 458958709 /nfs/dbraw/zinc/95/87/09/458958709.db2.gz UDNBKNHZNHTOER-QWHCGFSZSA-N 1 0 333.388 3.013 20 5 EGBDRO C[C@@H](C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000566656153 458975968 /nfs/dbraw/zinc/97/59/68/458975968.db2.gz XSPFMUGQGSXKSL-HZPDHXFCSA-N 1 0 347.459 3.327 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@@H](CO)c1cccc(F)c1)CCC2 ZINC000566745183 458993550 /nfs/dbraw/zinc/99/35/50/458993550.db2.gz FUCRSENGTFHYMA-ROUUACIJSA-N 1 0 330.359 3.435 20 5 EGBDRO CO[C@]1(C)C[C@H]([NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000531984239 459012051 /nfs/dbraw/zinc/01/20/51/459012051.db2.gz QSNGJAZORXWRKD-HNJNHCNJSA-N 1 0 349.431 3.105 20 5 EGBDRO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C[C@H](O)Cc1ccccc1 ZINC000556895588 459030115 /nfs/dbraw/zinc/03/01/15/459030115.db2.gz VAFSQTFJHAMVHW-RLGIIYIFSA-N 1 0 326.396 3.143 20 5 EGBDRO C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2OC(F)F)C[N@@H+]1C1CC1 ZINC000577432825 459032790 /nfs/dbraw/zinc/03/27/90/459032790.db2.gz ICPHZSZYKOWLBV-UWVGGRQHSA-N 1 0 327.331 3.233 20 5 EGBDRO O=C(C[N@@H+]1CCC[C@@H]1C1CCC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000477624487 459051170 /nfs/dbraw/zinc/05/11/70/459051170.db2.gz FAWJTXPIVCIORP-CQSZACIVSA-N 1 0 337.807 3.451 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H]1CC[C@@](O)(C(F)(F)F)C1 ZINC000589939163 459053130 /nfs/dbraw/zinc/05/31/30/459053130.db2.gz WAGOSIRTUMPCKR-CRFLGQKZSA-N 1 0 330.306 3.044 20 5 EGBDRO COc1cccc(CN(CC[NH+](C)C)c2ccc(F)cc2[N+](=O)[O-])c1 ZINC000477715665 459055962 /nfs/dbraw/zinc/05/59/62/459055962.db2.gz SMXJJYZCABIRPJ-UHFFFAOYSA-N 1 0 347.390 3.311 20 5 EGBDRO C[C@H]([NH2+]CCNc1ccc2ccccc2n1)c1cccc([N+](=O)[O-])c1 ZINC000557277720 459060622 /nfs/dbraw/zinc/06/06/22/459060622.db2.gz MXWGQHICAMWICP-AWEZNQCLSA-N 1 0 336.395 3.328 20 5 EGBDRO Cc1cccc(CN(CC[NH+](C)C)Cc2cccc([N+](=O)[O-])c2)c1 ZINC000558423581 459158154 /nfs/dbraw/zinc/15/81/54/459158154.db2.gz OJUUFJVOSIKLGM-UHFFFAOYSA-N 1 0 327.428 3.467 20 5 EGBDRO Cc1c([C@H](C)[NH2+]Cc2cccc(S(C)(=O)=O)c2)cccc1[N+](=O)[O-] ZINC000590779381 459214501 /nfs/dbraw/zinc/21/45/01/459214501.db2.gz INNGUVVXXMVZNV-ZDUSSCGKSA-N 1 0 348.424 3.158 20 5 EGBDRO Cc1cccc(C(=O)NCC[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000480906212 459223924 /nfs/dbraw/zinc/22/39/24/459223924.db2.gz IJGUEDQZZLHCPY-OAHLLOKOSA-N 1 0 341.411 3.292 20 5 EGBDRO Cc1cccc(N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000558946930 459225239 /nfs/dbraw/zinc/22/52/39/459225239.db2.gz SDFSZHHNIANIBT-HDICACEKSA-N 1 0 337.423 3.471 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H](CO)c1ccc(F)cc1 ZINC000595054169 459229516 /nfs/dbraw/zinc/22/95/16/459229516.db2.gz YOPYWQWFQDWMKQ-GXTWGEPZSA-N 1 0 348.374 3.169 20 5 EGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]Cc1cccnc1N1CCCC1 ZINC000595072304 459237529 /nfs/dbraw/zinc/23/75/29/459237529.db2.gz RIKNSBIOKZSAFB-KRWDZBQOSA-N 1 0 338.411 3.367 20 5 EGBDRO Cc1cccc(C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)CC(C)C)c1 ZINC000534135220 459292803 /nfs/dbraw/zinc/29/28/03/459292803.db2.gz PBJYJMJDUYMVKI-UHFFFAOYSA-N 1 0 343.427 3.223 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CC[C@@H](C4CCC4)C3)n2)cc1 ZINC000591063216 459303406 /nfs/dbraw/zinc/30/34/06/459303406.db2.gz KMIFJFPENKHPAC-CQSZACIVSA-N 1 0 328.372 3.267 20 5 EGBDRO C[C@@H](CC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)C1CC[NH2+]CC1 ZINC000582124486 459312743 /nfs/dbraw/zinc/31/27/43/459312743.db2.gz HAWNVXJOEZUEPM-AWEZNQCLSA-N 1 0 345.443 3.112 20 5 EGBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000568614667 459316790 /nfs/dbraw/zinc/31/67/90/459316790.db2.gz PAXCWZGUUVVLBL-CQSZACIVSA-N 1 0 336.436 3.454 20 5 EGBDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000523669499 459321527 /nfs/dbraw/zinc/32/15/27/459321527.db2.gz BGKCWQQJMIVBAG-MRXNPFEDSA-N 1 0 333.432 3.288 20 5 EGBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(C[NH3+])c1 ZINC000591309740 459350963 /nfs/dbraw/zinc/35/09/63/459350963.db2.gz CTUPHFWYKVHIBL-UHFFFAOYSA-N 1 0 342.399 3.496 20 5 EGBDRO CC[C@@H]1C[N@H+](C)CCN1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000560615711 459381172 /nfs/dbraw/zinc/38/11/72/459381172.db2.gz RGDDPJBVTHFFRA-CQSZACIVSA-N 1 0 329.400 3.381 20 5 EGBDRO CC[C@H](C)[C@H]1CCCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000524811733 459397273 /nfs/dbraw/zinc/39/72/73/459397273.db2.gz IJMLJLIRYMBLAM-QILLFSRXSA-N 1 0 336.432 3.235 20 5 EGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](c3ccccc3)[C@H](CO)C2)cc1 ZINC000595747428 459424248 /nfs/dbraw/zinc/42/42/48/459424248.db2.gz JASFCVCRYHBUBS-PKOBYXMFSA-N 1 0 326.396 3.193 20 5 EGBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000595791581 459443318 /nfs/dbraw/zinc/44/33/18/459443318.db2.gz WAQQLYIRRRUIAX-DOTOQJQBSA-N 1 0 334.416 3.255 20 5 EGBDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000485402181 459454141 /nfs/dbraw/zinc/45/41/41/459454141.db2.gz GZCAYKOQOUJIPM-CHWSQXEVSA-N 1 0 344.390 3.325 20 5 EGBDRO CN(CC[NH+]1CCCC1)c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000485418951 459454796 /nfs/dbraw/zinc/45/47/96/459454796.db2.gz RJYQGSAMBUBSQH-UHFFFAOYSA-N 1 0 344.390 3.328 20 5 EGBDRO CC(C)C[C@H](C[NH3+])CC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000595959015 459490420 /nfs/dbraw/zinc/49/04/20/459490420.db2.gz VCXGYYPXWFUOIL-HNNXBMFYSA-N 1 0 333.432 3.097 20 5 EGBDRO CCCN(C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C)C1 ZINC000591976849 459502066 /nfs/dbraw/zinc/50/20/66/459502066.db2.gz SMPUUJCMWFTJMG-GOEBONIOSA-N 1 0 348.447 3.090 20 5 EGBDRO CC(C)SCC[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000562063661 459508030 /nfs/dbraw/zinc/50/80/30/459508030.db2.gz DPEWGVSSECOYKL-GFCCVEGCSA-N 1 0 325.434 3.043 20 5 EGBDRO CC(C)[N@@H+]1CC[C@H](CNCc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000583277789 459513476 /nfs/dbraw/zinc/51/34/76/459513476.db2.gz MGMNVMAVVOSFOC-GFCCVEGCSA-N 1 0 343.374 3.016 20 5 EGBDRO CS[C@H]1CCC[C@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000569921462 459530885 /nfs/dbraw/zinc/53/08/85/459530885.db2.gz UAFWWPROSUWNQA-STQMWFEESA-N 1 0 337.445 3.187 20 5 EGBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC[C@H]2[C@@H]2CCCOC2)cc1 ZINC000592134222 459532706 /nfs/dbraw/zinc/53/27/06/459532706.db2.gz LLQSGRVPTOCUQK-QAPCUYQASA-N 1 0 334.416 3.255 20 5 EGBDRO CC(C)C[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000542204976 459533077 /nfs/dbraw/zinc/53/30/77/459533077.db2.gz JMUBWMNIQHYOEI-HOTGVXAUSA-N 1 0 336.432 3.235 20 5 EGBDRO CC(C)C[C@H]1CCCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000542204973 459533543 /nfs/dbraw/zinc/53/35/43/459533543.db2.gz JMUBWMNIQHYOEI-CVEARBPZSA-N 1 0 336.432 3.235 20 5 EGBDRO Cc1cc(NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])s1 ZINC000596143681 459535729 /nfs/dbraw/zinc/53/57/29/459535729.db2.gz GJCPIZAKWQVBJW-KRWDZBQOSA-N 1 0 347.440 3.014 20 5 EGBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc([C@@H]2CCC[NH2+]2)no1 ZINC000592357312 459579030 /nfs/dbraw/zinc/57/90/30/459579030.db2.gz VYACODWQKYNRPJ-WPRPVWTQSA-N 1 0 338.751 3.196 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000498372767 459586837 /nfs/dbraw/zinc/58/68/37/459586837.db2.gz LBCGNEHSSWYDPD-GOSISDBHSA-N 1 0 347.459 3.390 20 5 EGBDRO CC[C@H](C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])CC(F)(F)F ZINC000572870259 459589295 /nfs/dbraw/zinc/58/92/95/459589295.db2.gz IIOWBXLWLOUWJB-NSHDSACASA-N 1 0 347.337 3.492 20 5 EGBDRO CC(C)[NH+](CCN(C)C(=O)C(C)(C)c1ccccc1[N+](=O)[O-])C(C)C ZINC000498711390 459601286 /nfs/dbraw/zinc/60/12/86/459601286.db2.gz RXJWAHHKPAYFJN-UHFFFAOYSA-N 1 0 349.475 3.450 20 5 EGBDRO COC(=O)[C@@H]1C[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1C ZINC000592515855 459621075 /nfs/dbraw/zinc/62/10/75/459621075.db2.gz UZBGCBKKIXCBGJ-MLGOLLRUSA-N 1 0 344.367 3.096 20 5 EGBDRO Cc1ccc(NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)cc1[N+](=O)[O-] ZINC000584061829 459644923 /nfs/dbraw/zinc/64/49/23/459644923.db2.gz WCWKZPFCGHWFDZ-OAHLLOKOSA-N 1 0 349.456 3.059 20 5 EGBDRO CCCN(C(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C)C1 ZINC000592829695 459700431 /nfs/dbraw/zinc/70/04/31/459700431.db2.gz VNHQPCFIGPKRCI-OAHLLOKOSA-N 1 0 333.432 3.275 20 5 EGBDRO Cc1c(NC(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000596636823 459707986 /nfs/dbraw/zinc/70/79/86/459707986.db2.gz VWBKYSSCVUIQEU-CYBMUJFWSA-N 1 0 334.420 3.145 20 5 EGBDRO Cc1c(C(=O)N(CC[NH+](C)C)CC2CCCCC2)cccc1[N+](=O)[O-] ZINC000501227870 459718333 /nfs/dbraw/zinc/71/83/33/459718333.db2.gz MADMVGYHPIRVRF-UHFFFAOYSA-N 1 0 347.459 3.487 20 5 EGBDRO CCCCC[C@@H]1CCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000544145279 459732935 /nfs/dbraw/zinc/73/29/35/459732935.db2.gz HLMRTFHEOFJYET-CVEARBPZSA-N 1 0 336.432 3.379 20 5 EGBDRO Cc1cc(N2CC[C@@H]3[NH2+]CC[C@H]3C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000584460253 459744022 /nfs/dbraw/zinc/74/40/22/459744022.db2.gz OJNGTXKNMGNMOH-JQWIXIFHSA-N 1 0 329.322 3.110 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](Cc3cc4n(n3)CCC4)C2)cc1 ZINC000593030486 459746069 /nfs/dbraw/zinc/74/60/69/459746069.db2.gz OZYPUUSCFOFDEF-OAHLLOKOSA-N 1 0 326.400 3.117 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H](O)COc1ccccc1)CCC2 ZINC000574266567 459798580 /nfs/dbraw/zinc/79/85/80/459798580.db2.gz MCYSAUQFPAJXAZ-QFBILLFUSA-N 1 0 342.395 3.002 20 5 EGBDRO CC1(C)C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@H]2CCC[C@H]21 ZINC000584842858 459813668 /nfs/dbraw/zinc/81/36/68/459813668.db2.gz BNOBXTKAXOTPMG-CVEARBPZSA-N 1 0 332.400 3.472 20 5 EGBDRO CCCN(C(=O)C1CC[NH+](C(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000602326242 459895882 /nfs/dbraw/zinc/89/58/82/459895882.db2.gz QQKYJMIODHHCQJ-UHFFFAOYSA-N 1 0 333.432 3.458 20 5 EGBDRO C[C@@H](C[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000608976744 459897123 /nfs/dbraw/zinc/89/71/23/459897123.db2.gz MSEVZXYETYFFPK-MAUKXSAKSA-N 1 0 344.411 3.070 20 5 EGBDRO C[N@@H+]1CC[C@@H](CNc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])C1 ZINC000609156837 459915147 /nfs/dbraw/zinc/91/51/47/459915147.db2.gz CGJFVKJQCQELHD-AWEZNQCLSA-N 1 0 339.395 3.189 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@H]2CCN(c3ccccc3)C2)cc1 ZINC000602511346 459976832 /nfs/dbraw/zinc/97/68/32/459976832.db2.gz QGSILPKFKANQSE-QGZVFWFLSA-N 1 0 325.412 3.253 20 5 EGBDRO COc1ccc(F)c(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000598680061 459991589 /nfs/dbraw/zinc/99/15/89/459991589.db2.gz RXPHMFXJMGFPDX-JKSUJKDBSA-N 1 0 348.378 3.213 20 5 EGBDRO [NH3+][C@]12CCC[C@@H]1CN(Cc1ccc(-c3ccccc3[N+](=O)[O-])o1)C2 ZINC000598719221 460005117 /nfs/dbraw/zinc/00/51/17/460005117.db2.gz MICWGGOGHPYHRN-ACJLOTCBSA-N 1 0 327.384 3.168 20 5 EGBDRO COC1(C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CCC1 ZINC000602601818 460017186 /nfs/dbraw/zinc/01/71/86/460017186.db2.gz BERWKFNBTYJKLS-UHFFFAOYSA-N 1 0 335.223 3.078 20 5 EGBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000609839724 460027074 /nfs/dbraw/zinc/02/70/74/460027074.db2.gz FTADSMNMWHTRPT-LLVKDONJSA-N 1 0 340.811 3.244 20 5 EGBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCOCC3(CCCC3)C2)cc1 ZINC000614222646 460054710 /nfs/dbraw/zinc/05/47/10/460054710.db2.gz RYNCRFXNFDDNRV-UHFFFAOYSA-N 1 0 334.416 3.256 20 5 EGBDRO COc1ccc(C)cc1C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000618571472 460067112 /nfs/dbraw/zinc/06/71/12/460067112.db2.gz UJLPIOJLXCWZLM-HOTGVXAUSA-N 1 0 344.415 3.382 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H](C3CC3)C3CCC3)CC2)cn1 ZINC000602687232 460067566 /nfs/dbraw/zinc/06/75/66/460067566.db2.gz IGHZCOZNHSITRF-GOSISDBHSA-N 1 0 330.432 3.127 20 5 EGBDRO COCC[C@H](C)C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602695918 460071486 /nfs/dbraw/zinc/07/14/86/460071486.db2.gz OOHJYEHCOIVHEI-QMMMGPOBSA-N 1 0 337.239 3.181 20 5 EGBDRO C[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H]1CO ZINC000602716029 460082869 /nfs/dbraw/zinc/08/28/69/460082869.db2.gz QQODYEQCEIMJOH-PWSUYJOCSA-N 1 0 332.322 3.064 20 5 EGBDRO Cc1ccccc1C[C@@H](CO)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000576172624 460085157 /nfs/dbraw/zinc/08/51/57/460085157.db2.gz RSEBIWNNVOHJFU-YJBOKZPZSA-N 1 0 326.396 3.084 20 5 EGBDRO C[N@@H+]1CCCC[C@@H](CNCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602725118 460087490 /nfs/dbraw/zinc/08/74/90/460087490.db2.gz XKFOJOSFPXLASQ-LBPRGKRZSA-N 1 0 345.365 3.435 20 5 EGBDRO COC[C@@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C(C)C ZINC000610271205 460100451 /nfs/dbraw/zinc/10/04/51/460100451.db2.gz LUSHNUWPWIQJNU-OAHLLOKOSA-N 1 0 335.429 3.479 20 5 EGBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+][C@@H]1CC[C@@H]3CCC[C@H]3C1)OCCO2 ZINC000610271367 460101598 /nfs/dbraw/zinc/10/15/98/460101598.db2.gz KWWBGZUZHXVJPJ-KCQAQPDRSA-N 1 0 332.400 3.424 20 5 EGBDRO CN(C)c1c(F)c(F)ccc1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000598964748 460106619 /nfs/dbraw/zinc/10/66/19/460106619.db2.gz XUXPLWQTZRJLBH-UHFFFAOYSA-N 1 0 335.354 3.271 20 5 EGBDRO C[C@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000602756820 460108899 /nfs/dbraw/zinc/10/88/99/460108899.db2.gz REWBJVKZHXZPAG-CZUORRHYSA-N 1 0 334.420 3.179 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC000602776598 460120891 /nfs/dbraw/zinc/12/08/91/460120891.db2.gz VGJDJLKBKSHOAE-QGZVFWFLSA-N 1 0 328.416 3.054 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCS[C@@H](C)[C@H]1c1ccccc1 ZINC000602780961 460122484 /nfs/dbraw/zinc/12/24/84/460122484.db2.gz MKKDDRPVTHXAOJ-GUYCJALGSA-N 1 0 346.456 3.278 20 5 EGBDRO CSc1ccc(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000594203843 460149694 /nfs/dbraw/zinc/14/96/94/460149694.db2.gz USRMGVAZCSUXAM-KBPBESRZSA-N 1 0 349.456 3.063 20 5 EGBDRO C[S@](=O)c1ccc(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])cc1 ZINC000610575194 460187390 /nfs/dbraw/zinc/18/73/90/460187390.db2.gz MOLMZIKRWOCZJM-IUIUGSMNSA-N 1 0 330.409 3.135 20 5 EGBDRO Cc1c(CC(=O)Nc2ccccc2C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000610968608 460268074 /nfs/dbraw/zinc/26/80/74/460268074.db2.gz RZGBIIREMZCZPS-UHFFFAOYSA-N 1 0 327.384 3.146 20 5 EGBDRO C[C@@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])CC[C@H]1C(=O)OC(C)(C)C ZINC000599580186 460278495 /nfs/dbraw/zinc/27/84/95/460278495.db2.gz DRJFRDAQWJBZNN-UKRRQHHQSA-N 1 0 334.416 3.395 20 5 EGBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]C1CCC(F)(F)CC1)OCCO2 ZINC000611183268 460303167 /nfs/dbraw/zinc/30/31/67/460303167.db2.gz YXKZLIRIECDJAG-UHFFFAOYSA-N 1 0 328.315 3.034 20 5 EGBDRO COC(=O)[C@H]1CC12CC[NH+](Cc1ccc(C(C)C)c([N+](=O)[O-])c1)CC2 ZINC000611271974 460324748 /nfs/dbraw/zinc/32/47/48/460324748.db2.gz ZAEGGSWTSCAGSD-MRXNPFEDSA-N 1 0 346.427 3.493 20 5 EGBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H]2C2CCCCC2)c1 ZINC000603840437 460346184 /nfs/dbraw/zinc/34/61/84/460346184.db2.gz BSBWOZYZWCQLKS-PKOBYXMFSA-N 1 0 348.443 3.379 20 5 EGBDRO Cc1noc(C)c1[C@H](C)[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000611409042 460358448 /nfs/dbraw/zinc/35/84/48/460358448.db2.gz GNUCMDZLJSNEHG-NSHDSACASA-N 1 0 346.387 3.187 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+]C(C(C)C)C(C)C ZINC000611434173 460364551 /nfs/dbraw/zinc/36/45/51/460364551.db2.gz UGIPGJCQIXCPTN-UHFFFAOYSA-N 1 0 337.420 3.202 20 5 EGBDRO O=C(c1ccccc1[N+](=O)[O-])N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000604187269 460386914 /nfs/dbraw/zinc/38/69/14/460386914.db2.gz IIWQDGDKGAUNJT-UHFFFAOYSA-N 1 0 345.443 3.323 20 5 EGBDRO C[C@@H]1CC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC12CCC2 ZINC000611531985 460390442 /nfs/dbraw/zinc/39/04/42/460390442.db2.gz JILWXOWSZCJTQY-CYBMUJFWSA-N 1 0 332.400 3.378 20 5 EGBDRO CC(C)[NH2+][C@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000604539041 460443274 /nfs/dbraw/zinc/44/32/74/460443274.db2.gz BMQPVAWSRSODSU-NSHDSACASA-N 1 0 340.811 3.243 20 5 EGBDRO Cc1ncc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)s1 ZINC000601938165 460952520 /nfs/dbraw/zinc/95/25/20/460952520.db2.gz XPJRMUZWJUTCCV-ZJUUUORDSA-N 1 0 334.401 3.038 20 5 EGBDRO Cc1ccc(CNC(=O)C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000181817760 533990191 /nfs/dbraw/zinc/99/01/91/533990191.db2.gz PPLMYEHNXSEEJP-HNNXBMFYSA-N 1 0 341.411 3.179 20 5 EGBDRO C[C@H](C[S@](C)=O)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000184264903 534140322 /nfs/dbraw/zinc/14/03/22/534140322.db2.gz QKJICUGHJCJWPJ-XFNZEKPQSA-N 1 0 338.454 3.180 20 5 EGBDRO CC(C)(NC(=O)CC1(C[NH3+])CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000184215047 527265505 /nfs/dbraw/zinc/26/55/05/527265505.db2.gz QHMWZRGPPPKGJO-UHFFFAOYSA-N 1 0 333.432 3.245 20 5 EGBDRO CC1(CO)CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000184069061 528000232 /nfs/dbraw/zinc/00/02/32/528000232.db2.gz MDCKEDAQJCTTFF-UHFFFAOYSA-N 1 0 330.384 3.449 20 5 EGBDRO CC[C@H]1CCCCN1C(=O)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181816701 529198082 /nfs/dbraw/zinc/19/80/82/529198082.db2.gz YTTNGECIOXEZQX-ZBFHGGJFSA-N 1 0 333.432 3.345 20 5 EGBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000345524619 535245925 /nfs/dbraw/zinc/24/59/25/535245925.db2.gz GMFVSQLEQQLETJ-STQMWFEESA-N 1 0 339.411 3.074 20 5 EGBDRO COc1ccc(NC(=O)C[NH2+][C@H]2CCCCC2(C)C)c([N+](=O)[O-])c1 ZINC000119883809 546709395 /nfs/dbraw/zinc/70/93/95/546709395.db2.gz YBBJPGGDNWGUIS-HNNXBMFYSA-N 1 0 335.404 3.100 20 5 EGBDRO C[C@H]1CCC[N@@H+](C(C)(C)CNc2nc3ccccn3c2[N+](=O)[O-])C1 ZINC000726787348 574571594 /nfs/dbraw/zinc/57/15/94/574571594.db2.gz OYDWGSPRCHHNOA-ZDUSSCGKSA-N 1 0 331.420 3.165 20 5 EGBDRO CC(C)(C)[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000732578962 575277987 /nfs/dbraw/zinc/27/79/87/575277987.db2.gz XHNOSEHAPAYWIK-UHFFFAOYSA-N 1 0 339.823 3.195 20 5 EGBDRO COc1ccc(CC[N@H+](Cn2nccc2[N+](=O)[O-])CC(C)(C)C)cc1 ZINC000734476167 575497745 /nfs/dbraw/zinc/49/77/45/575497745.db2.gz MJKINTCEPIOPLU-UHFFFAOYSA-N 1 0 346.431 3.348 20 5 EGBDRO Cn1c(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])nc2cc(F)ccc21 ZINC000736355413 575942048 /nfs/dbraw/zinc/94/20/48/575942048.db2.gz KVZDPFYDZMKJPS-XQRVVYSFSA-N 1 0 340.358 3.424 20 5 EGBDRO Cc1ccc2oc(C[NH2+]C[C@H](O)c3ccc([N+](=O)[O-])cc3)cc2c1 ZINC000740007410 576530831 /nfs/dbraw/zinc/53/08/31/576530831.db2.gz SIOYWNZFLQIMAB-KRWDZBQOSA-N 1 0 326.352 3.473 20 5 EGBDRO CC(C)[C@H](C(=O)OCc1ccc(Cl)cc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000741014306 576646265 /nfs/dbraw/zinc/64/62/65/576646265.db2.gz LXBXKPAMTXIHIQ-OAHLLOKOSA-N 1 0 340.807 3.412 20 5 EGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](N2CCCCC2=O)C1 ZINC000743848589 576816750 /nfs/dbraw/zinc/81/67/50/576816750.db2.gz TZZIFUWWFJNCGR-GJZGRUSLSA-N 1 0 331.416 3.133 20 5 EGBDRO C[NH+](C)CCN(C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000063829536 1292025674 /nfs/dbraw/zinc/02/56/74/1292025674.db2.gz QEFWZJYRSBAIMR-UHFFFAOYSA-N 1 0 347.802 3.457 20 5 EGBDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000078385890 1292508298 /nfs/dbraw/zinc/50/82/98/1292508298.db2.gz TXDZUGKMALFANY-GFCCVEGCSA-N 1 0 341.839 3.489 20 5 EGBDRO Cc1c([C@H](C)[NH2+]C[C@@]2(O)CCc3ccccc32)cccc1[N+](=O)[O-] ZINC000090779915 1292806565 /nfs/dbraw/zinc/80/65/65/1292806565.db2.gz QRJVFGMIJXXOBH-LIRRHRJNSA-N 1 0 326.396 3.388 20 5 EGBDRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1cc(F)cc(C)c1[N+](=O)[O-] ZINC000125719551 1293515205 /nfs/dbraw/zinc/51/52/05/1293515205.db2.gz KCLHTFVMJJORRG-ZDUSSCGKSA-N 1 0 339.411 3.283 20 5 EGBDRO C[NH+](C)CCN(C(=O)c1cc([N+](=O)[O-])ccc1Cl)C1CCCC1 ZINC000126148822 1293526921 /nfs/dbraw/zinc/52/69/21/1293526921.db2.gz IPNDUCGUBJBKFS-UHFFFAOYSA-N 1 0 339.823 3.195 20 5 EGBDRO Cc1cc(F)cc(C(=O)Nc2ccc(CC[NH+](C)C)cc2)c1[N+](=O)[O-] ZINC000130399872 1293655648 /nfs/dbraw/zinc/65/56/48/1293655648.db2.gz JLSPHZNDOCBIDJ-UHFFFAOYSA-N 1 0 345.374 3.399 20 5 EGBDRO C[NH+](C)C1(CNc2nc3ccccn3c2[N+](=O)[O-])CCCCCC1 ZINC000137657905 1293831205 /nfs/dbraw/zinc/83/12/05/1293831205.db2.gz MUORHTZHZKBIDD-UHFFFAOYSA-N 1 0 331.420 3.309 20 5 EGBDRO C[C@@H](CN(C)C(=O)OC(C)(C)C)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000850416980 1322242685 /nfs/dbraw/zinc/24/26/85/1322242685.db2.gz IWAANEMDDSQTON-GDAGCXPBSA-N 1 0 349.431 3.453 20 5 EGBDRO C[C@H](O)C[C@@H]1CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1Br ZINC000235563562 1296183871 /nfs/dbraw/zinc/18/38/71/1296183871.db2.gz AWQXKYBBTKXPDR-JQWIXIFHSA-N 1 0 343.221 3.093 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@@H](Cc3ccccc3)C2)c1 ZINC000246324723 1296347775 /nfs/dbraw/zinc/34/77/75/1296347775.db2.gz RZOVODWCMZRNTK-QFBILLFUSA-N 1 0 326.396 3.193 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCOCC(F)(F)C(F)F ZINC000873115411 1297277484 /nfs/dbraw/zinc/27/74/84/1297277484.db2.gz NMUVBGBVILHHEY-UHFFFAOYSA-N 1 0 338.301 3.218 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N(C)C1CC[NH+](C(C)C)CC1 ZINC000873913994 1297724667 /nfs/dbraw/zinc/72/46/67/1297724667.db2.gz HRIBBPMPZUCLDQ-UHFFFAOYSA-N 1 0 333.432 3.156 20 5 EGBDRO O=[N+]([O-])c1cc(Br)c(F)cc1O[C@H]1CCC[NH2+]CC1 ZINC000691970275 1298139691 /nfs/dbraw/zinc/13/96/91/1298139691.db2.gz FBVVJAWMVKANAT-QMMMGPOBSA-N 1 0 333.157 3.017 20 5 EGBDRO Cc1nn(C[N@H+]2CC[C@@H](Cc3ccccc3)[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000747467685 1298784843 /nfs/dbraw/zinc/78/48/43/1298784843.db2.gz LPBYXHSIJZSICK-PBHICJAKSA-N 1 0 328.416 3.319 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCC[C@@H](N2CCCCC2=O)C1 ZINC000876696917 1298928117 /nfs/dbraw/zinc/92/81/17/1298928117.db2.gz LZFOHRLSFDDSJM-MRXNPFEDSA-N 1 0 345.443 3.189 20 5 EGBDRO C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000877130308 1299172497 /nfs/dbraw/zinc/17/24/97/1299172497.db2.gz QJEPLTUTVCOIOF-ACJLOTCBSA-N 1 0 332.375 3.378 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(C[NH+](C)C)c(F)c2)c1 ZINC000749251308 1299176743 /nfs/dbraw/zinc/17/67/43/1299176743.db2.gz OQISTGJBHQXMED-UHFFFAOYSA-N 1 0 347.346 3.056 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H]2CCSc3ccccc32)c1 ZINC000749676334 1299253575 /nfs/dbraw/zinc/25/35/75/1299253575.db2.gz MNJUPEKBUKSTMQ-HOTGVXAUSA-N 1 0 330.409 3.455 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2CCOc3c(Cl)cccc32)c1 ZINC000749691659 1299257118 /nfs/dbraw/zinc/25/71/18/1299257118.db2.gz QLZOQZXXUASUFS-HZPDHXFCSA-N 1 0 348.786 3.395 20 5 EGBDRO Cc1cc(C(=O)NC2CCC([NH+]3CCCCC3)CC2)cc([N+](=O)[O-])c1 ZINC000750859018 1299465707 /nfs/dbraw/zinc/46/57/07/1299465707.db2.gz JQMYHVTZYQAWJO-UHFFFAOYSA-N 1 0 345.443 3.430 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1nnc(C[N@@H+]2CCC[C@@H](C3CC3)C2)o1 ZINC000878621600 1300112796 /nfs/dbraw/zinc/11/27/96/1300112796.db2.gz DUOMPEXSWHMZPP-CYBMUJFWSA-N 1 0 328.372 3.267 20 5 EGBDRO Cc1cc(C(=O)Nc2ccc(C[NH+](C)C)c(F)c2)cc([N+](=O)[O-])c1 ZINC000754870184 1300234618 /nfs/dbraw/zinc/23/46/18/1300234618.db2.gz AOHUXEKRBFAMOS-UHFFFAOYSA-N 1 0 331.347 3.356 20 5 EGBDRO C[C@@H](CNC(=O)OC(C)(C)C)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000755226410 1300303410 /nfs/dbraw/zinc/30/34/10/1300303410.db2.gz NMCYYYKADXTABX-JTQLQIEISA-N 1 0 343.811 3.251 20 5 EGBDRO C[NH+]1CCC([C@@H]2CCN(c3nc4ccc([N+](=O)[O-])cc4s3)C2)CC1 ZINC000755918827 1300416819 /nfs/dbraw/zinc/41/68/19/1300416819.db2.gz BNOVDEONAWJLGB-CYBMUJFWSA-N 1 0 346.456 3.373 20 5 EGBDRO CC1(C)C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)Cc2ccccc21 ZINC000759307980 1301063338 /nfs/dbraw/zinc/06/33/38/1301063338.db2.gz ZJSROCOLAIQPFZ-GOSISDBHSA-N 1 0 326.396 3.422 20 5 EGBDRO CN(C(=O)C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)C1CCCCC1 ZINC000761528393 1301491673 /nfs/dbraw/zinc/49/16/73/1301491673.db2.gz UADZJYCHWNGJBA-UHFFFAOYSA-N 1 0 339.823 3.129 20 5 EGBDRO CC(C)C[N@H+](Cn1c(=O)oc2ccc([N+](=O)[O-])cc21)CC(C)(C)C ZINC000761834853 1301550384 /nfs/dbraw/zinc/55/03/84/1301550384.db2.gz FWGDUJQYFGWBQV-UHFFFAOYSA-N 1 0 335.404 3.464 20 5 EGBDRO Cc1cc(Cc2noc(CCCC[NH+]3CCCC3)n2)ccc1[N+](=O)[O-] ZINC000762298440 1301654350 /nfs/dbraw/zinc/65/43/50/1301654350.db2.gz NDJMAXFWCBMSPK-UHFFFAOYSA-N 1 0 344.415 3.296 20 5 EGBDRO C[C@H](c1ccccc1)[NH+]1CCN(c2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000882810534 1302113057 /nfs/dbraw/zinc/11/30/57/1302113057.db2.gz STHDQGDNTSNAQH-CQSZACIVSA-N 1 0 326.400 3.060 20 5 EGBDRO CC(C)[NH2+]C1CCN(c2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000765484935 1302272006 /nfs/dbraw/zinc/27/20/06/1302272006.db2.gz DUOOGHGRFNUPSV-UHFFFAOYSA-N 1 0 342.237 3.324 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CCC[C@H]4OCC[C@H]43)CC2)cc1 ZINC000766597575 1302484729 /nfs/dbraw/zinc/48/47/29/1302484729.db2.gz BHJVSXSYHPMSDR-IPMKNSEASA-N 1 0 345.443 3.111 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC000767715275 1302750333 /nfs/dbraw/zinc/75/03/33/1302750333.db2.gz XNJVKOWQTNGDCI-FUNAXGEOSA-N 1 0 330.359 3.460 20 5 EGBDRO CC(C)CC[C@H]1CCC[N@@H+]1Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000767760477 1302757688 /nfs/dbraw/zinc/75/76/88/1302757688.db2.gz XMOVSBGLWOFYPD-CYBMUJFWSA-N 1 0 333.388 3.361 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)c1C ZINC000884345822 1302822378 /nfs/dbraw/zinc/82/23/78/1302822378.db2.gz PSVIHVLVAPAJJK-KRWDZBQOSA-N 1 0 345.443 3.062 20 5 EGBDRO C[N@H+](CC1CC1)C[C@H]1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000768548923 1302931673 /nfs/dbraw/zinc/93/16/73/1302931673.db2.gz LEGFDUDCLDJUMJ-OAHLLOKOSA-N 1 0 337.851 3.412 20 5 EGBDRO COCc1cc([N+](=O)[O-])ccc1N1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000884707388 1302959911 /nfs/dbraw/zinc/95/99/11/1302959911.db2.gz JAFJXRJJZVFWQR-UHFFFAOYSA-N 1 0 344.415 3.465 20 5 EGBDRO O=[N+]([O-])c1ncccc1C[N@H+]1CCCCC[C@@H]1C[C@H](O)c1ccco1 ZINC000886038787 1303329639 /nfs/dbraw/zinc/32/96/39/1303329639.db2.gz ATCSFISQLZQXCG-CVEARBPZSA-N 1 0 345.399 3.451 20 5 EGBDRO CC[NH+]1CCN(c2ccc(Nc3ncc([N+](=O)[O-])cc3C)cc2)CC1 ZINC000770970853 1303339986 /nfs/dbraw/zinc/33/99/86/1303339986.db2.gz ONRNWCGKWXZZCY-UHFFFAOYSA-N 1 0 341.415 3.184 20 5 EGBDRO O=[N+]([O-])c1ncccc1C[N@H+]1CCCC[C@H]1[C@H](O)c1ccccc1 ZINC000886057820 1303340753 /nfs/dbraw/zinc/34/07/53/1303340753.db2.gz XYVQKGVILMPFDW-DLBZAZTESA-N 1 0 327.384 3.078 20 5 EGBDRO CC1(C)c2ccccc2CC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000773760829 1303736612 /nfs/dbraw/zinc/73/66/12/1303736612.db2.gz OSJFAWKPJRHULH-GOSISDBHSA-N 1 0 326.396 3.422 20 5 EGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(Cl)nc2)n1 ZINC000774132353 1303777148 /nfs/dbraw/zinc/77/71/48/1303777148.db2.gz TYKIAVSXKZISKL-CHWSQXEVSA-N 1 0 335.795 3.113 20 5 EGBDRO CN(CCCC[NH+](C)C)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000776295838 1304130748 /nfs/dbraw/zinc/13/07/48/1304130748.db2.gz PVNHCRWGSQDCOT-UHFFFAOYSA-N 1 0 328.800 3.054 20 5 EGBDRO COc1ccccc1[C@@H]1CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776584309 1304175064 /nfs/dbraw/zinc/17/50/64/1304175064.db2.gz KWXBIFSVHHOJOV-CRAIPNDOSA-N 1 0 342.395 3.126 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCS[C@H](c3ccccc3)C2)cc1 ZINC000776584326 1304175546 /nfs/dbraw/zinc/17/55/46/1304175546.db2.gz LSMLHGCABHAJFK-ROUUACIJSA-N 1 0 344.436 3.418 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H](c2ccccc2)c2ccccn2)cc1 ZINC000776587667 1304176620 /nfs/dbraw/zinc/17/66/20/1304176620.db2.gz YLDUTUUHBZGHSV-PMACEKPBSA-N 1 0 349.390 3.402 20 5 EGBDRO Cc1cccc([C@H]2CCC[N@@H+]2C[C@@H](O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000776586882 1304176875 /nfs/dbraw/zinc/17/68/75/1304176875.db2.gz RJXPBXFCEYRRAJ-QZTJIDSGSA-N 1 0 327.384 3.169 20 5 EGBDRO CC(C)[C@@H](Cc1ccccc1)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000779023310 1304519582 /nfs/dbraw/zinc/51/95/82/1304519582.db2.gz BTMHSSPKVOFGTQ-MOPGFXCFSA-N 1 0 328.412 3.485 20 5 EGBDRO C[C@@H]1CCCC[N@@H+]1CC(N)=NOCc1ccc([N+](=O)[O-])cc1Cl ZINC000782325239 1304953919 /nfs/dbraw/zinc/95/39/19/1304953919.db2.gz JJRGPQCMTJGIPG-LLVKDONJSA-N 1 0 340.811 3.121 20 5 EGBDRO CC(C)[C@H]1CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000782556098 1304988080 /nfs/dbraw/zinc/98/80/80/1304988080.db2.gz PMTPMISZGZCVHS-ZDUSSCGKSA-N 1 0 337.395 3.431 20 5 EGBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNc1c([N+](=O)[O-])cnn1C ZINC000891844534 1305185713 /nfs/dbraw/zinc/18/57/13/1305185713.db2.gz GWJCDILWTMKYSY-CQSZACIVSA-N 1 0 343.431 3.315 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+]CCN2CCc3ccccc32)c(Cl)c1 ZINC000784514126 1305253961 /nfs/dbraw/zinc/25/39/61/1305253961.db2.gz QRSCQCUSYPCWDN-UHFFFAOYSA-N 1 0 331.803 3.401 20 5 EGBDRO O=C(CC[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])NC1CCCCC1 ZINC000892648110 1305487709 /nfs/dbraw/zinc/48/77/09/1305487709.db2.gz BUGJZNUQPUGLSS-UHFFFAOYSA-N 1 0 339.823 3.177 20 5 EGBDRO COc1c(O)ccc(C[NH2+][C@H](C)Cc2ccccc2F)c1[N+](=O)[O-] ZINC000892657531 1305490484 /nfs/dbraw/zinc/49/04/84/1305490484.db2.gz ADXQAMLWMMGTQU-LLVKDONJSA-N 1 0 334.347 3.169 20 5 EGBDRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(O)c(OC)c2[N+](=O)[O-])cc1 ZINC000892742058 1305534152 /nfs/dbraw/zinc/53/41/52/1305534152.db2.gz FPKZKGTUOFCYBT-LLVKDONJSA-N 1 0 332.356 3.168 20 5 EGBDRO Cc1ccccc1C[NH+]1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000788008030 1305843217 /nfs/dbraw/zinc/84/32/17/1305843217.db2.gz FJJBUVNRRNKMKH-UHFFFAOYSA-N 1 0 343.402 3.360 20 5 EGBDRO CCOC(=O)c1cc([N+](=O)[O-])c(N2CCC[C@H]([NH+](C)C)CC2)cc1C ZINC000893492877 1305927156 /nfs/dbraw/zinc/92/71/56/1305927156.db2.gz UIQUODWBRFIDLG-AWEZNQCLSA-N 1 0 349.431 3.000 20 5 EGBDRO C[C@@H]([NH2+][C@H]1CCN(Cc2ccccc2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788502810 1305956825 /nfs/dbraw/zinc/95/68/25/1305956825.db2.gz LBFIPUXYDIAELB-PBHICJAKSA-N 1 0 340.427 3.102 20 5 EGBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])[C@]12CCCO2 ZINC000893577843 1305976038 /nfs/dbraw/zinc/97/60/38/1305976038.db2.gz BYWLVQPENZEFNT-BZUAXINKSA-N 1 0 340.807 3.064 20 5 EGBDRO C[C@@H]([NH2+][C@H]1CCOc2c(F)cccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788759560 1306010268 /nfs/dbraw/zinc/01/02/68/1306010268.db2.gz USZLEUSMVBXQMX-BMIGLBTASA-N 1 0 331.347 3.491 20 5 EGBDRO Cc1nn(C[NH+]2CCC3(CCOCC3)CC2)c2ccc([N+](=O)[O-])cc12 ZINC000789532753 1306179063 /nfs/dbraw/zinc/17/90/63/1306179063.db2.gz ZQWMCZUMOIXYKK-UHFFFAOYSA-N 1 0 344.415 3.103 20 5 EGBDRO CCCC[N@H+](C)CCNC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000809916029 1317916753 /nfs/dbraw/zinc/91/67/53/1317916753.db2.gz DZUHRBWYJMUVGX-UHFFFAOYSA-N 1 0 328.800 3.102 20 5 EGBDRO Cc1c(C[NH2+][C@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC000790695287 1308854036 /nfs/dbraw/zinc/85/40/36/1308854036.db2.gz MJKWQSXBIBJILJ-GJZGRUSLSA-N 1 0 349.431 3.439 20 5 EGBDRO COc1c(O)ccc(C[NH2+]CCC[C@H]2CC2(Cl)Cl)c1[N+](=O)[O-] ZINC000895181474 1309226616 /nfs/dbraw/zinc/22/66/16/1309226616.db2.gz WZRAIGIVMQJPFB-JTQLQIEISA-N 1 0 349.214 3.373 20 5 EGBDRO C[C@]12CC[N@H+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)C[C@H]1C2(Cl)Cl ZINC000792909163 1309257255 /nfs/dbraw/zinc/25/72/55/1309257255.db2.gz SRBUJZWCYPOLIK-MJBXVCDLSA-N 1 0 345.226 3.144 20 5 EGBDRO C[C@@H](C[NH+](C)C)[C@H]1CCCCN1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000895378535 1309307064 /nfs/dbraw/zinc/30/70/64/1309307064.db2.gz IMAMGLCJWHJNRU-XJKSGUPXSA-N 1 0 346.431 3.288 20 5 EGBDRO CN(Cc1cc(Br)c([N+](=O)[O-])s1)[C@@H]1CCCC[C@H]1O ZINC000895439160 1309335960 /nfs/dbraw/zinc/33/59/60/1309335960.db2.gz ZQTQGZUOWNXZSO-GHMZBOCLSA-N 1 0 349.250 3.154 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)c1C ZINC000895463958 1309351044 /nfs/dbraw/zinc/35/10/44/1309351044.db2.gz JKQMVLZJFSIEMY-AWEZNQCLSA-N 1 0 347.440 3.306 20 5 EGBDRO CCOC1(C)CC[NH+](Cn2nc(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000793546117 1309401330 /nfs/dbraw/zinc/40/13/30/1309401330.db2.gz KPUKMILHRPYKAU-UHFFFAOYSA-N 1 0 332.404 3.101 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC2CC[NH+](CC(C)C)CC2)c1C ZINC000895599857 1309423473 /nfs/dbraw/zinc/42/34/73/1309423473.db2.gz AKIHZORCSJHYQR-UHFFFAOYSA-N 1 0 333.432 3.062 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)c1C ZINC000895855220 1309562875 /nfs/dbraw/zinc/56/28/75/1309562875.db2.gz PSBMEKNIDWMQPE-OCCSQVGLSA-N 1 0 333.432 3.062 20 5 EGBDRO CCC(=O)c1ccc(N(CC)CCC[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000795174083 1309688286 /nfs/dbraw/zinc/68/82/86/1309688286.db2.gz RVWMNQXDPLFNGX-UHFFFAOYSA-N 1 0 333.432 3.500 20 5 EGBDRO CC(C)([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1ccccc1[N+](=O)[O-] ZINC000795219576 1309699754 /nfs/dbraw/zinc/69/97/54/1309699754.db2.gz MFTSZWGRSPCGMD-UHFFFAOYSA-N 1 0 345.355 3.407 20 5 EGBDRO O=C(CC[NH+]1CCC2(CCC2)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000796512590 1310017923 /nfs/dbraw/zinc/01/79/23/1310017923.db2.gz FPIUVQSOGVGBCK-UHFFFAOYSA-N 1 0 335.379 3.329 20 5 EGBDRO CC(C)(C(=O)O[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000797234245 1310160825 /nfs/dbraw/zinc/16/08/25/1310160825.db2.gz OILWTZKZVKAEQF-ZIAGYGMSSA-N 1 0 332.400 3.042 20 5 EGBDRO CCOc1cc(N2CCCC3(CC[NH+](C)CC3)C2)ccc1[N+](=O)[O-] ZINC000798405217 1310356172 /nfs/dbraw/zinc/35/61/72/1310356172.db2.gz CWBKWWOXSZXPNI-UHFFFAOYSA-N 1 0 333.432 3.306 20 5 EGBDRO COc1cc(C[N@@H+]2CC[C@H](c3ccccn3)C2)c([N+](=O)[O-])cc1F ZINC000799197035 1310510991 /nfs/dbraw/zinc/51/09/91/1310510991.db2.gz PSTFMMYRQYOPCV-LBPRGKRZSA-N 1 0 331.347 3.127 20 5 EGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1Cc2ccccc2[C@H]1O ZINC000898391321 1310706932 /nfs/dbraw/zinc/70/69/32/1310706932.db2.gz ANGUVNHBTJVZQY-OMWUSAIZSA-N 1 0 326.396 3.164 20 5 EGBDRO CC[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1F)NC(=O)OC(C)(C)C ZINC000824666355 1320275756 /nfs/dbraw/zinc/27/57/56/1320275756.db2.gz ICOXMQUAPRDORD-LBPRGKRZSA-N 1 0 341.383 3.127 20 5 EGBDRO O=C(C1CC[NH+](C2CC2)CC1)N1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000857666334 1328579569 /nfs/dbraw/zinc/57/95/69/1328579569.db2.gz FKVDDKNSSLORLK-UHFFFAOYSA-N 1 0 343.427 3.139 20 5 EGBDRO COc1ccc2c(c1)[C@H](N(CC[N+](=O)[O-])Cc1ccccc1)CCO2 ZINC000929712180 1328675496 /nfs/dbraw/zinc/67/54/96/1328675496.db2.gz UGXKIXLHDYJNHG-GOSISDBHSA-N 1 0 342.395 3.298 20 5 EGBDRO CC[NH+](CC)CCO[C@@H]1CCN(c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000804531757 1317256180 /nfs/dbraw/zinc/25/61/80/1317256180.db2.gz SBLLSXKXEIXJIP-CQSZACIVSA-N 1 0 341.839 3.185 20 5 EGBDRO CS[C@H]1CN(c2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000804623003 1317267409 /nfs/dbraw/zinc/26/74/09/1317267409.db2.gz PSVWFWGQHUDFCK-GJZGRUSLSA-N 1 0 341.864 3.264 20 5 EGBDRO CCN(C)C(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000805760954 1317419129 /nfs/dbraw/zinc/41/91/29/1317419129.db2.gz MKOOJZUEIXXDFK-INIZCTEOSA-N 1 0 349.431 3.346 20 5 EGBDRO Cc1ccc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)s1 ZINC001019943964 1317469748 /nfs/dbraw/zinc/46/97/48/1317469748.db2.gz GPWZIBFMPILLCQ-HDJSIYSDSA-N 1 0 345.424 3.015 20 5 EGBDRO CC1(C)C(C(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)C1(C)C ZINC001020053415 1317520639 /nfs/dbraw/zinc/52/06/39/1317520639.db2.gz JBUGZOYVFYMCFE-HDJSIYSDSA-N 1 0 345.443 3.014 20 5 EGBDRO CC[N@@H+](Cc1ccccc1[N+](=O)[O-])CC1CCN(C(=O)C2CC2)CC1 ZINC000957660727 1317531424 /nfs/dbraw/zinc/53/14/24/1317531424.db2.gz CLHKOEJLXILFTO-UHFFFAOYSA-N 1 0 345.443 3.065 20 5 EGBDRO CCCC[N@H+](C)C[C@H](C)Nc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1 ZINC000808176848 1317640205 /nfs/dbraw/zinc/64/02/05/1317640205.db2.gz MGPWFBSSSVRZQT-ZDUSSCGKSA-N 1 0 348.447 3.019 20 5 EGBDRO C[C@H]([NH2+]CC1(NC(=O)OC(C)(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000903239831 1317679433 /nfs/dbraw/zinc/67/94/33/1317679433.db2.gz PSDMSAATWYJCPV-LBPRGKRZSA-N 1 0 335.404 3.303 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]CC[C@@H](O)C2CC2)c2ccccc2)c1 ZINC000903407041 1317698223 /nfs/dbraw/zinc/69/82/23/1317698223.db2.gz MAHQZMHWKHDRAK-RTBURBONSA-N 1 0 326.396 3.435 20 5 EGBDRO CCOCC(C)(C)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000808724781 1317723278 /nfs/dbraw/zinc/72/32/78/1317723278.db2.gz JFOCCIQOAIIXCE-UHFFFAOYSA-N 1 0 335.448 3.216 20 5 EGBDRO COc1ccc2oc(CN(CC[NH3+])c3ccc([N+](=O)[O-])cc3)cc2c1 ZINC000809734553 1317883237 /nfs/dbraw/zinc/88/32/37/1317883237.db2.gz JKPMZHQUEYVZEY-UHFFFAOYSA-N 1 0 341.367 3.315 20 5 EGBDRO C[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1Cl)C(C)(C)C[NH+](C)C ZINC000809913704 1317917333 /nfs/dbraw/zinc/91/73/33/1317917333.db2.gz SCMXNOQSSYCXFO-SNVBAGLBSA-N 1 0 342.827 3.346 20 5 EGBDRO CC(C)[NH+]1CCN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000809933316 1317918911 /nfs/dbraw/zinc/91/89/11/1317918911.db2.gz AXZKITHXCGQHJC-UHFFFAOYSA-N 1 0 332.231 3.428 20 5 EGBDRO CSc1ccc(C(=O)O[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000810850431 1318066437 /nfs/dbraw/zinc/06/64/37/1318066437.db2.gz DVHJYUCXTOPVJU-STQMWFEESA-N 1 0 336.413 3.100 20 5 EGBDRO CC[NH+](CC)CCOC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811373224 1318163821 /nfs/dbraw/zinc/16/38/21/1318163821.db2.gz TXBWSFIZINKOSL-UHFFFAOYSA-N 1 0 335.187 3.400 20 5 EGBDRO C[C@H](CNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000811480504 1318182140 /nfs/dbraw/zinc/18/21/40/1318182140.db2.gz VWUXKANBAFQZCQ-SECBINFHSA-N 1 0 332.231 3.474 20 5 EGBDRO COC(=O)[C@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)CC(C)C ZINC000813330790 1318534647 /nfs/dbraw/zinc/53/46/47/1318534647.db2.gz AIENBEXOLIOZNR-LBPRGKRZSA-N 1 0 328.796 3.173 20 5 EGBDRO CC[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)[C@H](C)C1 ZINC000910271240 1318591311 /nfs/dbraw/zinc/59/13/11/1318591311.db2.gz QISKWNQXEZPUDK-GFCCVEGCSA-N 1 0 339.823 3.113 20 5 EGBDRO C[C@@H]([NH2+]CCCOc1ccc(F)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815571711 1319017538 /nfs/dbraw/zinc/01/75/38/1319017538.db2.gz KQYJNQXSSLTTJY-GFCCVEGCSA-N 1 0 333.363 3.436 20 5 EGBDRO C[C@@H]([NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000815579618 1319019503 /nfs/dbraw/zinc/01/95/03/1319019503.db2.gz RDDSZONEIDFEOF-NXEZZACHSA-N 1 0 341.371 3.171 20 5 EGBDRO CN(Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C[C@@H]1CCC[N@@H+]1C ZINC000817294564 1319316095 /nfs/dbraw/zinc/31/60/95/1319316095.db2.gz WONWJCGEZVLNJM-LBPRGKRZSA-N 1 0 332.231 3.428 20 5 EGBDRO C[N@H+](Cn1ncc2ccc([N+](=O)[O-])cc21)C1CC(OC(C)(C)C)C1 ZINC000817373146 1319344006 /nfs/dbraw/zinc/34/40/06/1319344006.db2.gz BMBSMPDSVZKLRI-UHFFFAOYSA-N 1 0 332.404 3.180 20 5 EGBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000817494991 1319378863 /nfs/dbraw/zinc/37/88/63/1319378863.db2.gz MEOGAVYZKKHBKT-SNVBAGLBSA-N 1 0 346.214 3.068 20 5 EGBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cccc(C[NH3+])c1 ZINC000818514782 1319549128 /nfs/dbraw/zinc/54/91/28/1319549128.db2.gz YGAHGPAVKFIWTP-UHFFFAOYSA-N 1 0 327.384 3.104 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CC2(c3ccc(F)cc3)CCC2)cc1 ZINC000818989952 1319608768 /nfs/dbraw/zinc/60/87/68/1319608768.db2.gz RUUHKRCHFHUMSS-GOSISDBHSA-N 1 0 344.386 3.479 20 5 EGBDRO CC(C)(C)[C@@H]1OCCC[C@H]1C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819079347 1319628866 /nfs/dbraw/zinc/62/88/66/1319628866.db2.gz CLTJGGMSSUIIPF-BHYGNILZSA-N 1 0 336.432 3.059 20 5 EGBDRO Cc1cc(C)cc(C[C@@H](C)[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000819110925 1319637980 /nfs/dbraw/zinc/63/79/80/1319637980.db2.gz KRYHVFJQIDGDDY-DNVCBOLYSA-N 1 0 328.412 3.466 20 5 EGBDRO CSc1ccc(F)cc1C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819128491 1319642245 /nfs/dbraw/zinc/64/22/45/1319642245.db2.gz VHBKJHSFRWDUNR-HNNXBMFYSA-N 1 0 336.388 3.279 20 5 EGBDRO COc1cccc(C(C)(C)C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000819184906 1319660614 /nfs/dbraw/zinc/66/06/14/1319660614.db2.gz JYTLWNCLOAFTQV-GOSISDBHSA-N 1 0 344.411 3.204 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H]2CCCc3ccc(F)cc32)c1 ZINC000819277132 1319687003 /nfs/dbraw/zinc/68/70/03/1319687003.db2.gz AVBMRXDDGZGLAI-MSOLQXFVSA-N 1 0 330.359 3.435 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@@H](c2ccccc2)C2CC2)c1 ZINC000819330610 1319699842 /nfs/dbraw/zinc/69/98/42/1319699842.db2.gz WVJONWHDSSIKHJ-OALUTQOASA-N 1 0 326.396 3.412 20 5 EGBDRO C[C@@H]1CSC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Br ZINC000930455006 1328860488 /nfs/dbraw/zinc/86/04/88/1328860488.db2.gz GEPADSZJPXMOAO-PELKAZGASA-N 1 0 331.235 3.198 20 5 EGBDRO CC(C)C[NH+]1CCC(NC(=O)c2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000858826331 1328869323 /nfs/dbraw/zinc/86/93/23/1328869323.db2.gz ICFKAPYVWFTLRW-UHFFFAOYSA-N 1 0 339.823 3.098 20 5 EGBDRO CO[C@H]1COCC[C@@H]1C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000824708748 1320279302 /nfs/dbraw/zinc/27/93/02/1320279302.db2.gz IUFSPOGCGPZXTB-RNCFNFMXSA-N 1 0 349.214 3.043 20 5 EGBDRO CC(C)(C)[N@@H+]1CCCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000825624261 1320350727 /nfs/dbraw/zinc/35/07/27/1320350727.db2.gz JHTHYGNSLGNYSU-UHFFFAOYSA-N 1 0 339.823 3.195 20 5 EGBDRO OC[C@H]1C[N@H+](Cc2c3ccccc3c(Cl)c3ccccc32)C[C@H]1O ZINC000839169209 1320883743 /nfs/dbraw/zinc/88/37/43/1320883743.db2.gz GZKBXYCCVZHDKH-BFUOFWGJSA-N 1 0 341.838 3.431 20 5 EGBDRO CO[C@@H]1CCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Br ZINC000930641543 1328922245 /nfs/dbraw/zinc/92/22/45/1328922245.db2.gz RKADDFHNPYBRMC-CHWSQXEVSA-N 1 0 329.194 3.014 20 5 EGBDRO CC(C)Oc1cc(C(=O)OCCC[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000840647935 1321121713 /nfs/dbraw/zinc/12/17/13/1321121713.db2.gz HEBPJJJLLFAKNG-UHFFFAOYSA-N 1 0 336.388 3.025 20 5 EGBDRO COC(=O)N1CCC[C@H]([NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000841748359 1321306769 /nfs/dbraw/zinc/30/67/69/1321306769.db2.gz WXWVOBSVAFBRFU-YOEHRIQHSA-N 1 0 347.415 3.183 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1CN(C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859212648 1328946832 /nfs/dbraw/zinc/94/68/32/1328946832.db2.gz MHXJBNQSNAZUNX-UHFFFAOYSA-N 1 0 343.427 3.297 20 5 EGBDRO O=C(Nc1cccc([N+](=O)[O-])c1Cl)N[C@H]1CC[NH2+]C12CCCC2 ZINC000843041885 1321460394 /nfs/dbraw/zinc/46/03/94/1321460394.db2.gz AYAXCYKJSVUAGQ-LBPRGKRZSA-N 1 0 338.795 3.044 20 5 EGBDRO Cc1cc(Cc2noc(C[C@H](C)C3CC[NH2+]CC3)n2)ccc1[N+](=O)[O-] ZINC000843192759 1321485002 /nfs/dbraw/zinc/48/50/02/1321485002.db2.gz YWEYQEIKLKVAIK-LBPRGKRZSA-N 1 0 344.415 3.055 20 5 EGBDRO Cc1c(-c2noc(C[C@H](C)[C@H]3CCC[NH2+]C3)n2)cccc1[N+](=O)[O-] ZINC000843238560 1321494563 /nfs/dbraw/zinc/49/45/63/1321494563.db2.gz UYBVSQBTRSLDAC-AAEUAGOBSA-N 1 0 330.388 3.131 20 5 EGBDRO O=C(Oc1cccc([N+](=O)[O-])c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000847302495 1321861009 /nfs/dbraw/zinc/86/10/09/1321861009.db2.gz MLWWPOSCXVNPRX-HNNXBMFYSA-N 1 0 326.352 3.022 20 5 EGBDRO COc1cc(N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c([N+](=O)[O-])cc1OC ZINC000848785885 1322010888 /nfs/dbraw/zinc/01/08/88/1322010888.db2.gz OETUPEHOZXBRPX-JSGCOSHPSA-N 1 0 335.404 3.041 20 5 EGBDRO C[N@@H+]1CCCC[C@@H]1CCOC(=O)c1cc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000919515138 1322075256 /nfs/dbraw/zinc/07/52/56/1322075256.db2.gz XYBNTNMXNYQNQY-CYBMUJFWSA-N 1 0 331.372 3.107 20 5 EGBDRO CN(CCCC[NH+]1CCCCC1)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000922332849 1322503770 /nfs/dbraw/zinc/50/37/70/1322503770.db2.gz KPUMDWTXMRSMGJ-FMIVXFBMSA-N 1 0 345.443 3.333 20 5 EGBDRO CC(C)c1ccc(CNCc2cc(N(C)C)cc[nH+]2)cc1[N+](=O)[O-] ZINC000922480801 1322538345 /nfs/dbraw/zinc/53/83/45/1322538345.db2.gz MXVCTWLQPVYRPY-UHFFFAOYSA-N 1 0 328.416 3.469 20 5 EGBDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCC(=O)N2C)c1ccc([N+](=O)[O-])cc1 ZINC000922537255 1322551999 /nfs/dbraw/zinc/55/19/99/1322551999.db2.gz CZUXCCKOOOYVRE-CYBMUJFWSA-N 1 0 339.395 3.355 20 5 EGBDRO O=[N+]([O-])c1cc(CN[C@@H](c2ccccn2)C2CC2)c2c(c1)COCO2 ZINC000922586109 1322563722 /nfs/dbraw/zinc/56/37/22/1322563722.db2.gz KOVJRWSRVPCYRX-QGZVFWFLSA-N 1 0 341.367 3.097 20 5 EGBDRO Cc1noc(C[N@@H+]2CCCCC[C@H]2C[C@@H](O)c2ccco2)c1[N+](=O)[O-] ZINC000851810202 1323095134 /nfs/dbraw/zinc/09/51/34/1323095134.db2.gz YOQBMYMDCODCPO-UONOGXRCSA-N 1 0 349.387 3.353 20 5 EGBDRO Cc1noc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)c1[N+](=O)[O-] ZINC000851859999 1323105146 /nfs/dbraw/zinc/10/51/46/1323105146.db2.gz DMUJQPNZDSUPTK-HUUCEWRRSA-N 1 0 349.362 3.118 20 5 EGBDRO O=[N+]([O-])c1ccc(CN2CCC([NH2+]Cc3ccccc3)CC2)cc1F ZINC000852117292 1323150419 /nfs/dbraw/zinc/15/04/19/1323150419.db2.gz YMLOESOFHDWWLT-UHFFFAOYSA-N 1 0 343.402 3.488 20 5 EGBDRO C[N@H+](CC1=CCSC1)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000852747628 1323237569 /nfs/dbraw/zinc/23/75/69/1323237569.db2.gz QVUNJOFKEGCDNB-UHFFFAOYSA-N 1 0 343.246 3.462 20 5 EGBDRO O=[N+]([O-])c1cc(F)c(Cl)cc1N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000853015375 1323261535 /nfs/dbraw/zinc/26/15/35/1323261535.db2.gz ZDABZNMPQRGPAH-LLVKDONJSA-N 1 0 327.787 3.213 20 5 EGBDRO O=[N+]([O-])c1ccc(Cl)cc1CNC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000853094085 1323278683 /nfs/dbraw/zinc/27/86/83/1323278683.db2.gz XWFHFHRRKPRSTG-AWEZNQCLSA-N 1 0 337.851 3.460 20 5 EGBDRO C[NH+](C)C[C@H]1CCCN(c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000853244279 1325070031 /nfs/dbraw/zinc/07/00/31/1325070031.db2.gz FXAFEMSGUUHYAW-LLVKDONJSA-N 1 0 342.237 3.135 20 5 EGBDRO C[C@@H](NC(=O)N1CCC[N@@H+](C(C)(C)C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000925228050 1325087491 /nfs/dbraw/zinc/08/74/91/1325087491.db2.gz FWUUQTKGWVJJNU-CQSZACIVSA-N 1 0 348.447 3.172 20 5 EGBDRO COc1cc(N2CC[C@@H](C3CC[NH+](C)CC3)C2)c([N+](=O)[O-])cc1C ZINC000853458145 1325097003 /nfs/dbraw/zinc/09/70/03/1325097003.db2.gz QJLNAVZPKMDRKD-OAHLLOKOSA-N 1 0 333.432 3.080 20 5 EGBDRO O=[N+]([O-])c1c(Br)cccc1NC1CC[NH+](C2CC2)CC1 ZINC000856722525 1325513930 /nfs/dbraw/zinc/51/39/30/1325513930.db2.gz ZCDZMYWDHZTWFV-UHFFFAOYSA-N 1 0 340.221 3.396 20 5 EGBDRO C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)OCCC[N+](=O)[O-])c1 ZINC000860920460 1329369832 /nfs/dbraw/zinc/36/98/32/1329369832.db2.gz BWBBHHFFJYMOAA-UHFFFAOYSA-N 1 0 342.395 3.142 20 5 EGBDRO C[NH+](C)[C@@H](CNc1cc(F)c([N+](=O)[O-])cc1CO)c1ccsc1 ZINC000865435965 1329696973 /nfs/dbraw/zinc/69/69/73/1329696973.db2.gz WNDGWEAKQQNZFF-HNNXBMFYSA-N 1 0 339.392 3.003 20 5 EGBDRO C[C@H](C[N@H+](C)Cc1ccccc1)Nc1cc(F)c([N+](=O)[O-])cc1CO ZINC000865659385 1329726237 /nfs/dbraw/zinc/72/62/37/1329726237.db2.gz JDLBDXXRSKMEMU-CYBMUJFWSA-N 1 0 347.390 3.159 20 5 EGBDRO C[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000932182076 1329791597 /nfs/dbraw/zinc/79/15/97/1329791597.db2.gz IOKLZAQIQPMYFK-KBUPBQIOSA-N 1 0 333.432 3.138 20 5 EGBDRO CC(C)(C)OC(=O)NCC[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000932701877 1329835508 /nfs/dbraw/zinc/83/55/08/1329835508.db2.gz GARPDBCKLNNKIM-CQSZACIVSA-N 1 0 349.431 3.332 20 5 EGBDRO COc1ccc(C[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])cc1OC ZINC000866214130 1330079255 /nfs/dbraw/zinc/07/92/55/1330079255.db2.gz JUKCMSZPXSFISA-LBPRGKRZSA-N 1 0 348.374 3.472 20 5 EGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC1([C@@H](C)CCO)CCC1 ZINC000866316297 1330095685 /nfs/dbraw/zinc/09/56/85/1330095685.db2.gz XYLVEKJREHAQKD-KBPBESRZSA-N 1 0 338.423 3.443 20 5 EGBDRO Cc1cc(Br)cc([N+](=O)[O-])c1O[C@@H]1CC[NH2+]CC[C@@H]1F ZINC001218017462 1373539252 /nfs/dbraw/zinc/53/92/52/1373539252.db2.gz JOXIBTCCKYLKQV-CMPLNLGQSA-N 1 0 347.184 3.135 20 5 EGBDRO C[C@@H]1CC[NH2+]CC[C@@H]1Oc1cc(Br)cc([N+](=O)[O-])c1 ZINC001218029051 1373542427 /nfs/dbraw/zinc/54/24/27/1373542427.db2.gz JJTGFEIPBWCSHH-RNCFNFMXSA-N 1 0 329.194 3.124 20 5 EGBDRO O=[N+]([O-])c1cc(Br)cc(O[C@@H]2CCC[C@]23CC[NH2+]C3)c1 ZINC001218098879 1373560208 /nfs/dbraw/zinc/56/02/08/1373560208.db2.gz XACNHNDHOGKCSO-ZIAGYGMSSA-N 1 0 341.205 3.268 20 5 EGBDRO CC(C)[N@@H+]1CC[C@H](Oc2ccc([N+](=O)[O-])c(Br)c2)C1 ZINC001229084726 1375759967 /nfs/dbraw/zinc/75/99/67/1375759967.db2.gz ASLIZIRZHYKWDP-NSHDSACASA-N 1 0 329.194 3.219 20 5 EGBDRO CC(C)(C)/C=C/C(=O)N1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001199846438 1369280284 /nfs/dbraw/zinc/28/02/84/1369280284.db2.gz ANTCRXIUUPZFOG-DHZHZOJOSA-N 1 0 345.443 3.278 20 5 EGBDRO N[C@]1(c2nc(-c3cc4ccccc4c4ccccc34)no2)CC[NH2+]C1 ZINC001204880370 1370595733 /nfs/dbraw/zinc/59/57/33/1370595733.db2.gz HLZOYDOBHQYGLU-HXUWFJFHSA-N 1 0 330.391 3.190 20 5 EGBDRO [NH3+][C@@H]1CN(Cc2c3ccccc3c(Cl)c3ccccc32)C[C@H]1O ZINC001205357855 1370730769 /nfs/dbraw/zinc/73/07/69/1370730769.db2.gz KVQFUJROBROZQR-QZTJIDSGSA-N 1 0 326.827 3.150 20 5 EGBDRO CS[C@@H]1CC[C@@H]([N@H+](C)Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC001116145751 1370846494 /nfs/dbraw/zinc/84/64/94/1370846494.db2.gz LNEISYAVBXTUHS-UKRRQHHQSA-N 1 0 347.444 3.027 20 5 EGBDRO CCC[NH+](CCC)CCCNC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001116164029 1370850163 /nfs/dbraw/zinc/85/01/63/1370850163.db2.gz ICYGZNJNQQTLPE-UHFFFAOYSA-N 1 0 348.447 3.132 20 5 EGBDRO C[C@@H](CC(=O)OC(C)(C)C)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC001116474697 1370920694 /nfs/dbraw/zinc/92/06/94/1370920694.db2.gz HNECKLBTXLJPRL-JTQLQIEISA-N 1 0 328.796 3.458 20 5 EGBDRO C[C@H]1CCCN(C(=O)CC[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC001116821999 1370981032 /nfs/dbraw/zinc/98/10/32/1370981032.db2.gz SDALLBKIJBNCSO-KSSFIOAISA-N 1 0 345.443 3.210 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCc2c(F)cccc2Cl)c1 ZINC001118150008 1371138873 /nfs/dbraw/zinc/13/88/73/1371138873.db2.gz VQOOBZOYONHNAE-MRXNPFEDSA-N 1 0 338.766 3.253 20 5 EGBDRO CCOC(=O)C[C@H]1CCC[N@@H+]1C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC001326162185 1388121280 /nfs/dbraw/zinc/12/12/80/1388121280.db2.gz JOFZHEBTUOQMKY-SCOADAFUSA-N 1 0 332.400 3.416 20 5 EGBDRO CC1(C)[C@H]([NH2+]CCCOc2ccc([N+](=O)[O-])cc2)[C@H]2CCCO[C@H]21 ZINC001119305104 1371302676 /nfs/dbraw/zinc/30/26/76/1371302676.db2.gz BMQOYMKUCMVHFM-BRWVUGGUSA-N 1 0 334.416 3.157 20 5 EGBDRO C[NH+]1CCN(c2ccc(Nc3cccc([N+](=O)[O-])c3F)cc2)CC1 ZINC001210379770 1372337901 /nfs/dbraw/zinc/33/79/01/1372337901.db2.gz IJORKTKCJKYYIZ-UHFFFAOYSA-N 1 0 330.363 3.229 20 5 EGBDRO O=[N+]([O-])c1cccc(Nc2ccc(CC[NH+]3CCOCC3)cc2)c1F ZINC001210384158 1372339378 /nfs/dbraw/zinc/33/93/78/1372339378.db2.gz HRHZEDOROLBWCW-UHFFFAOYSA-N 1 0 345.374 3.352 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1Nc1cc(C)nn1-c1cc[nH+]cc1 ZINC001210443628 1372354417 /nfs/dbraw/zinc/35/44/17/1372354417.db2.gz ANDPAWXHVNICCW-UHFFFAOYSA-N 1 0 325.328 3.236 20 5 EGBDRO O[C@H]1CNCC[N@H+](Cc2c3ccccc3c3cc4ccccc4oc2-3)C1 ZINC001210474166 1372361930 /nfs/dbraw/zinc/36/19/30/1372361930.db2.gz DUYSNPDGYYXJLU-INIZCTEOSA-N 1 0 346.430 3.457 20 5 EGBDRO O=c1c2ccc(O)cc2oc2cc(O[C@@H]3CCC[NH2+]C[C@H]3F)ccc12 ZINC001217952616 1373517900 /nfs/dbraw/zinc/51/79/00/1373517900.db2.gz VHUDVMKGIZRAHM-HZPDHXFCSA-N 1 0 343.354 3.121 20 5 EGBDRO O=[N+]([O-])c1cc(Br)cc(F)c1O[C@@H]1CCCC[NH2+]C1 ZINC001217970026 1373521479 /nfs/dbraw/zinc/52/14/79/1373521479.db2.gz GYZDQFBRUOGXQO-SECBINFHSA-N 1 0 333.157 3.017 20 5 EGBDRO C[C@H]1C[NH2+]CCC[C@H]1Oc1ccc(Br)cc1[N+](=O)[O-] ZINC001217987540 1373527367 /nfs/dbraw/zinc/52/73/67/1373527367.db2.gz NQDZEHJXZGNYGN-JOYOIKCWSA-N 1 0 329.194 3.124 20 5 EGBDRO C[C@H]1C[NH2+]CCC[C@H]1Oc1c(F)cc(Br)cc1[N+](=O)[O-] ZINC001217991797 1373528797 /nfs/dbraw/zinc/52/87/97/1373528797.db2.gz XUYKUWKAAVTHQJ-QPUJVOFHSA-N 1 0 347.184 3.263 20 5 EGBDRO Cc1cc(Br)cc([N+](=O)[O-])c1O[C@H]1CC[NH2+]CC[C@@H]1C ZINC001218031666 1373543555 /nfs/dbraw/zinc/54/35/55/1373543555.db2.gz RENNSAVZFCVGDS-ZANVPECISA-N 1 0 343.221 3.433 20 5 EGBDRO C[C@@H]1CC[NH2+]CC[C@@H]1Oc1c2ccccc2c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001218031290 1373543564 /nfs/dbraw/zinc/54/35/64/1373543564.db2.gz YSSMJXIGXDRDFB-BZNIZROVSA-N 1 0 345.355 3.423 20 5 EGBDRO O=[N+]([O-])c1cc(Br)cc(O[C@H]2CCC23CC[NH2+]CC3)c1 ZINC001218085996 1373557004 /nfs/dbraw/zinc/55/70/04/1373557004.db2.gz XSWLPOHKQDVEIQ-ZDUSSCGKSA-N 1 0 341.205 3.268 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCCCC2)cc1O[C@@H]1CCC[C@]12CC[NH2+]C2 ZINC001218098740 1373560076 /nfs/dbraw/zinc/56/00/76/1373560076.db2.gz ZCEFOKJVOGYWTM-RTBURBONSA-N 1 0 345.443 3.496 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2ccc(O[C@@H]3CSC4(C[NH2+]C4)C3)cc2)c1 ZINC001218099805 1373560563 /nfs/dbraw/zinc/56/05/63/1373560563.db2.gz IYUHPROAZUDMCF-KRWDZBQOSA-N 1 0 342.420 3.488 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)c(O[C@H]2CSC3(C[NH2+]C3)C2)c(Cl)c1 ZINC001218101304 1373561716 /nfs/dbraw/zinc/56/17/16/1373561716.db2.gz GXLHVQCCILJEDX-MRVPVSSYSA-N 1 0 335.212 3.128 20 5 EGBDRO O=[N+]([O-])c1cc(Br)c(F)cc1O[C@H]1CC[C@]12CC[NH2+]C2 ZINC001218115939 1373563709 /nfs/dbraw/zinc/56/37/09/1373563709.db2.gz PDRUUSGTMFBORQ-QWHCGFSZSA-N 1 0 345.168 3.017 20 5 EGBDRO CC(C)(C)c1cc([N+](=O)[O-])c(O[C@H]2C[C@H]3[NH2+]CC[C@H]3C2)c([N+](=O)[O-])c1 ZINC001218251498 1373584120 /nfs/dbraw/zinc/58/41/20/1373584120.db2.gz UFEKTVDXABIQHB-CYZMBNFOSA-N 1 0 349.387 3.320 20 5 EGBDRO O=[N+]([O-])c1cc2nc(O[C@@H]3CC[NH2+]C4(CCC4)C3)[nH]c2cc1Cl ZINC001218309105 1373592489 /nfs/dbraw/zinc/59/24/89/1373592489.db2.gz KFIJZHYBNVPQSE-SECBINFHSA-N 1 0 336.779 3.178 20 5 EGBDRO C[C@H](Oc1cccc(N2CC[NH2+]CC2)c1)c1ccccc1[N+](=O)[O-] ZINC001218318010 1373594489 /nfs/dbraw/zinc/59/44/89/1373594489.db2.gz RQLZSUDTJOFXNJ-AWEZNQCLSA-N 1 0 327.384 3.144 20 5 EGBDRO CCc1c(Cl)cc([N+](=O)[O-])c(O[C@@H]2C[C@H]3C[NH2+]C[C@@H]32)c1Cl ZINC001218325975 1373597021 /nfs/dbraw/zinc/59/70/21/1373597021.db2.gz NKJCIVZIHIHVMT-QOSJWCAFSA-N 1 0 331.199 3.451 20 5 EGBDRO Cc1cc(O[C@@H]2CC[C@H](C)[NH2+]C2)c([N+](=O)[O-])cc1Br ZINC001218401455 1373607839 /nfs/dbraw/zinc/60/78/39/1373607839.db2.gz ZKSUNDWWIZVTFO-VHSXEESVSA-N 1 0 329.194 3.185 20 5 EGBDRO O=c1c2ccc(O)cc2oc2cc(O[C@@H]3C[NH2+]CCC34CC4)ccc12 ZINC001218404298 1373608264 /nfs/dbraw/zinc/60/82/64/1373608264.db2.gz MVRQFSYPOHGUBO-GOSISDBHSA-N 1 0 337.375 3.173 20 5 EGBDRO O=[N+]([O-])c1cc(F)cc(Br)c1O[C@@H]1C[NH2+]CCC12CC2 ZINC001218407042 1373608820 /nfs/dbraw/zinc/60/88/20/1373608820.db2.gz SEWQQDNBXPWIND-LLVKDONJSA-N 1 0 345.168 3.017 20 5 EGBDRO O=[N+]([O-])c1cc([N+](=O)[O-])c(O[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]23)c2ccccc21 ZINC001218460907 1373618577 /nfs/dbraw/zinc/61/85/77/1373618577.db2.gz OSDQMLBCWMQRMP-CKUKBARFSA-N 1 0 343.339 3.033 20 5 EGBDRO O=[N+]([O-])c1ccc(CCO[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC001224327745 1375064870 /nfs/dbraw/zinc/06/48/70/1375064870.db2.gz GSBQFBLIVAEVNC-IBGZPJMESA-N 1 0 326.396 3.428 20 5 EGBDRO COc1cc(O[C@@H]2CCC[N@H+](Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC001226575559 1375284818 /nfs/dbraw/zinc/28/48/18/1375284818.db2.gz DPWXUSYRVFQJOY-OAHLLOKOSA-N 1 0 343.383 3.042 20 5 EGBDRO Cc1cc(O[C@@H](C)C[N+](C)(C)C)ccc1I ZINC001226931456 1375360600 /nfs/dbraw/zinc/36/06/00/1375360600.db2.gz MBKVGVIKQSEDRA-NSHDSACASA-N 1 0 334.221 3.073 20 5 EGBDRO CC/C(C)=C\C(=O)NC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001227210920 1375407212 /nfs/dbraw/zinc/40/72/12/1375407212.db2.gz HXZYGIRNTQTNFH-KAMYIIQDSA-N 1 0 331.416 3.032 20 5 EGBDRO CC(C)(C)[NH+]1CCC(Oc2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC001227219855 1375407774 /nfs/dbraw/zinc/40/77/74/1375407774.db2.gz JULDPMDMXFCKFF-UHFFFAOYSA-N 1 0 345.399 3.490 20 5 EGBDRO C[N@@H+]1CC[C@H](Oc2c3ccccc3c(O)c3c(O)ccc(O)c23)C1 ZINC001228173795 1375524738 /nfs/dbraw/zinc/52/47/38/1375524738.db2.gz LZTGLKFGDDKSDU-NSHDSACASA-N 1 0 325.364 3.193 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)cc(O[C@H]2CC[C@@H]([NH+]3CCOCC3)CC2)c1 ZINC001228257489 1375535816 /nfs/dbraw/zinc/53/58/16/1375535816.db2.gz JCRSKWDWSKRUOV-OTVXOJSOSA-N 1 0 340.807 3.270 20 5 EGBDRO Cc1cc([N+](=O)[O-])cc(C)c1OC[C@H]1CCC2(CC[NH+](C)CC2)O1 ZINC001228572288 1375601493 /nfs/dbraw/zinc/60/14/93/1375601493.db2.gz YCIRFKDQORNQKB-MRXNPFEDSA-N 1 0 334.416 3.234 20 5 EGBDRO COC(=O)c1cc(OC2CC[NH+](C(C)(C)C)CC2)cc([N+](=O)[O-])c1 ZINC001228771229 1375671749 /nfs/dbraw/zinc/67/17/49/1375671749.db2.gz OFVTUXJZUDNOQR-UHFFFAOYSA-N 1 0 336.388 3.023 20 5 EGBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(C1CCC1)C1CCC1 ZINC001132964223 1375678616 /nfs/dbraw/zinc/67/86/16/1375678616.db2.gz FVOLMALULHIILN-UHFFFAOYSA-N 1 0 345.443 3.017 20 5 EGBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Oc1cc([N+](=O)[O-])ccc1O ZINC001229399648 1375827741 /nfs/dbraw/zinc/82/77/41/1375827741.db2.gz NADNTRWTMIIKRP-UGSOOPFHSA-N 1 0 328.368 3.200 20 5 EGBDRO CC(=O)N1CCC[C@H]([N@H+](C)Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232228290 1376419444 /nfs/dbraw/zinc/41/94/44/1376419444.db2.gz OBVHHVIINSDRPM-IBGZPJMESA-N 1 0 348.450 3.226 20 5 EGBDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1ccc2cccc([N+](=O)[O-])c2n1 ZINC001233842522 1376725111 /nfs/dbraw/zinc/72/51/11/1376725111.db2.gz YFJNUBRWHHJZPS-UOIKSKOESA-N 1 0 327.384 3.252 20 5 EGBDRO C[N@@H+]1CCC[C@@H](Oc2cc(N3CCCCC3)ccc2[N+](=O)[O-])CC1 ZINC001234363468 1376820388 /nfs/dbraw/zinc/82/03/88/1376820388.db2.gz JAWIHWOFTZPLNF-MRXNPFEDSA-N 1 0 333.432 3.448 20 5 EGBDRO O=C(CCC1CCCCC1)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001149786572 1379445950 /nfs/dbraw/zinc/44/59/50/1379445950.db2.gz ZYMQXXGGLYYBMO-UHFFFAOYSA-N 1 0 333.432 3.161 20 5 EGBDRO [NH3+][C@@H]1Cc2ccccc2N(c2ccc(-c3ccc([N+](=O)[O-])cc3)nn2)C1 ZINC001155307367 1380435493 /nfs/dbraw/zinc/43/54/93/1380435493.db2.gz UJRZHASODRPVIB-OAHLLOKOSA-N 1 0 347.378 3.073 20 5 EGBDRO O=[N+]([O-])c1c(Cl)ccc2nc(N[C@H]3CC[C@@H]4C[NH2+]C[C@@H]43)ccc21 ZINC001155585567 1380470774 /nfs/dbraw/zinc/47/07/74/1380470774.db2.gz ANXKVZFEUNVSSI-PUYPPJJSSA-N 1 0 332.791 3.206 20 5 EGBDRO COc1cnc(-n2c(C)c(C)c3cc(C[NH3+])ccc32)c([N+](=O)[O-])c1 ZINC001155901884 1380504063 /nfs/dbraw/zinc/50/40/63/1380504063.db2.gz JORKZINXFJHCSA-UHFFFAOYSA-N 1 0 326.356 3.018 20 5 EGBDRO C[NH+](C)Cc1cccc(CNc2ncnc3cccc([N+](=O)[O-])c32)c1 ZINC001156052171 1380518856 /nfs/dbraw/zinc/51/88/56/1380518856.db2.gz PZGZRESEMHCQSX-UHFFFAOYSA-N 1 0 337.383 3.212 20 5 EGBDRO O=[N+]([O-])c1cccc2ncnc(NCC3C[NH+](Cc4ccccc4)C3)c21 ZINC001156403337 1380571992 /nfs/dbraw/zinc/57/19/92/1380571992.db2.gz UMLQMUJVRYOEOW-UHFFFAOYSA-N 1 0 349.394 3.082 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)nc(N(Cc2ccccc2)[C@H]2CCC[NH2+]C2)c1 ZINC001157425612 1380883428 /nfs/dbraw/zinc/88/34/28/1380883428.db2.gz BLVZNANEHUTQKJ-AWEZNQCLSA-N 1 0 346.818 3.402 20 5 EGBDRO CC1(CC(=O)NCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)CCCC1 ZINC001157462237 1380915237 /nfs/dbraw/zinc/91/52/37/1380915237.db2.gz UAEVFVPKWYBLLQ-UHFFFAOYSA-N 1 0 333.432 3.161 20 5 EGBDRO C[NH2+]CCN(c1nc(Cl)nc2ccc([N+](=O)[O-])cc21)C(C)(C)C ZINC001157825942 1381044177 /nfs/dbraw/zinc/04/41/77/1381044177.db2.gz WTCVILIIYGEACK-UHFFFAOYSA-N 1 0 337.811 3.016 20 5 EGBDRO CCN(c1cc2ccc(Cl)nc2cc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC001158207626 1381159161 /nfs/dbraw/zinc/15/91/61/1381159161.db2.gz SBFNVOIPPWLYDV-LBPRGKRZSA-N 1 0 334.807 3.375 20 5 EGBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N[C@@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)n1 ZINC001158268633 1381178902 /nfs/dbraw/zinc/17/89/02/1381178902.db2.gz PPKKBTLKVSPMAO-BMIGLBTASA-N 1 0 341.843 3.302 20 5 EGBDRO O=[N+]([O-])c1ccc(Nc2ccc(OCC3CC[NH2+]CC3)nc2)cc1 ZINC001159339842 1381770362 /nfs/dbraw/zinc/77/03/62/1381770362.db2.gz PUWUKDALYNQUTJ-UHFFFAOYSA-N 1 0 328.372 3.112 20 5 EGBDRO COc1ccc(Nc2ccccc2OC2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC001159808038 1381907793 /nfs/dbraw/zinc/90/77/93/1381907793.db2.gz PSADYVIEPYZGKX-UHFFFAOYSA-N 1 0 343.383 3.478 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1N(c1ccccc1N)C1CC[NH2+]CC1 ZINC001159902027 1381932757 /nfs/dbraw/zinc/93/27/57/1381932757.db2.gz WMTAHAYQUZRFJS-UHFFFAOYSA-N 1 0 326.400 3.376 20 5 EGBDRO COc1ccc(Nc2ccc(O[C@@H]3CCC[NH2+]C3)cc2)c([N+](=O)[O-])c1 ZINC001159954562 1381949132 /nfs/dbraw/zinc/94/91/32/1381949132.db2.gz WFXYLDHPWPSMAO-MRXNPFEDSA-N 1 0 343.383 3.478 20 5 EGBDRO [NH3+][C@@H]1CCCN(c2ccccc2Nc2cccc([N+](=O)[O-])c2F)C1 ZINC001159978108 1381956816 /nfs/dbraw/zinc/95/68/16/1381956816.db2.gz JADDXUKSRNLDEG-GFCCVEGCSA-N 1 0 330.363 3.405 20 5 EGBDRO COc1ccc(Nc2ccccc2N2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC001159981607 1381957539 /nfs/dbraw/zinc/95/75/39/1381957539.db2.gz FVSVNQFQUFIXKS-ZDUSSCGKSA-N 1 0 342.399 3.275 20 5 EGBDRO Cc1ncc([N+](=O)[O-])cc1Nc1cc(F)ccc1OC1CC[NH2+]CC1 ZINC001160134760 1382010120 /nfs/dbraw/zinc/01/01/20/1382010120.db2.gz RVJXUNDWMYXRTI-UHFFFAOYSA-N 1 0 346.362 3.312 20 5 EGBDRO COc1ncc(Nc2ccc3c(c2)C[NH2+]CC3(C)C)cc1[N+](=O)[O-] ZINC001160284993 1382061512 /nfs/dbraw/zinc/06/15/12/1382061512.db2.gz LOIPSNQDKOFVSL-UHFFFAOYSA-N 1 0 328.372 3.123 20 5 EGBDRO CSc1nc(Cl)nc(-n2ccc3cccc(C[NH3+])c32)c1[N+](=O)[O-] ZINC001160456169 1382108607 /nfs/dbraw/zinc/10/86/07/1382108607.db2.gz ADPAYZADIJMDOY-UHFFFAOYSA-N 1 0 349.803 3.163 20 5 EGBDRO Cc1ccnc(NC2CC[NH+](Cc3ccc(O)cc3)CC2)c1[N+](=O)[O-] ZINC001161131201 1382312000 /nfs/dbraw/zinc/31/20/00/1382312000.db2.gz RFIMFZUXVPGVNK-UHFFFAOYSA-N 1 0 342.399 3.080 20 5 EGBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N[C@H]2CC[N@H+](CC3CCCC3)C2)n1 ZINC001161180617 1382329211 /nfs/dbraw/zinc/32/92/11/1382329211.db2.gz IZIBFVYPNHWEFT-LBPRGKRZSA-N 1 0 339.827 3.023 20 5 EGBDRO Cc1nc(Nc2ccc(Br)cc2C[NH3+])ccc1[N+](=O)[O-] ZINC001161852107 1382529567 /nfs/dbraw/zinc/52/95/67/1382529567.db2.gz ZRCHOUKIBNLNAE-UHFFFAOYSA-N 1 0 337.177 3.263 20 5 EGBDRO COc1ncc([N+](=O)[O-])cc1N(CC[NH3+])c1cccc2ccccc21 ZINC001162005487 1382596866 /nfs/dbraw/zinc/59/68/66/1382596866.db2.gz OWZHHGORGWPOOU-UHFFFAOYSA-N 1 0 338.367 3.248 20 5 EGBDRO O=C(NCCC[NH2+]Cc1ccccc1[N+](=O)[O-])C1CCC2(CC2)CC1 ZINC001162684849 1382832932 /nfs/dbraw/zinc/83/29/32/1382832932.db2.gz IBPPMTLRXHFNOB-UHFFFAOYSA-N 1 0 345.443 3.161 20 5 EGBDRO CC(C)N(c1cc2ncnc(Cl)c2cc1[N+](=O)[O-])C(C)(C)C[NH3+] ZINC001163186571 1382987689 /nfs/dbraw/zinc/98/76/89/1382987689.db2.gz GOFMPIKLDJQAFC-UHFFFAOYSA-N 1 0 337.811 3.144 20 5 EGBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)c2ccccc21 ZINC001163290350 1383013203 /nfs/dbraw/zinc/01/32/03/1383013203.db2.gz IHMTZGLNXYTCAV-AUUYWEPGSA-N 1 0 341.411 3.319 20 5 EGBDRO c1ccc2cc3c(cc2c1)ncnc3N[C@H]1CCO[C@@]2(CC[NH2+]C2)C1 ZINC001163314541 1383019579 /nfs/dbraw/zinc/01/95/79/1383019579.db2.gz GQXKFVJLDVZZLN-JXFKEZNVSA-N 1 0 334.423 3.106 20 5 EGBDRO CC(C)(C)c1ccc(N[C@H]2CCO[C@@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC001163323681 1383022377 /nfs/dbraw/zinc/02/23/77/1383022377.db2.gz PDWMORQHNADFPV-KSSFIOAISA-N 1 0 333.432 3.215 20 5 EGBDRO O=[N+]([O-])c1cc(N[C@H]2CCO[C@@]3(CC[NH2+]C3)C2)cc2ccccc21 ZINC001163332089 1383024554 /nfs/dbraw/zinc/02/45/54/1383024554.db2.gz HNXFOFXFAGXSFD-KSSFIOAISA-N 1 0 327.384 3.071 20 5 EGBDRO CC(C)Oc1nc(N[C@@H]2CC[N@@H+](C(C)C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC001163368621 1383034009 /nfs/dbraw/zinc/03/40/09/1383034009.db2.gz AADAPORZSCPDHW-ZIAGYGMSSA-N 1 0 336.436 3.308 20 5 EGBDRO Cc1c(F)cnc(-n2c(C[NH3+])cc3cc(Cl)ccc32)c1[N+](=O)[O-] ZINC001163898041 1383133801 /nfs/dbraw/zinc/13/38/01/1383133801.db2.gz PYXNNBWEUHTEGR-UHFFFAOYSA-N 1 0 334.738 3.493 20 5 EGBDRO O=[N+]([O-])c1ccnc(Cl)c1NCc1cccnc1C1CC[NH2+]CC1 ZINC001163907590 1383134948 /nfs/dbraw/zinc/13/49/48/1383134948.db2.gz CNXZYPWMTQFDFO-UHFFFAOYSA-N 1 0 347.806 3.117 20 5 EGBDRO C[C@]1(C[NH3+])CCCN(C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)CC1 ZINC001164242222 1383170367 /nfs/dbraw/zinc/17/03/67/1383170367.db2.gz IXXAJVOBIYHSHC-ZDUSSCGKSA-N 1 0 348.781 3.143 20 5 EGBDRO C[NH+]1C[C@H]2CN(c3ccc4ccc5ccc(Cl)nc5c4n3)C[C@@H]2C1 ZINC001165149953 1383237414 /nfs/dbraw/zinc/23/74/14/1383237414.db2.gz LSERIYBSRGLDDQ-GJZGRUSLSA-N 1 0 338.842 3.434 20 5 EGBDRO CC(C)[NH+]1CCC(CNc2ncc3cccc([N+](=O)[O-])c3n2)CC1 ZINC001166616107 1383447881 /nfs/dbraw/zinc/44/78/81/1383447881.db2.gz TUQKUZXFAHDBJQ-UHFFFAOYSA-N 1 0 329.404 3.070 20 5 EGBDRO O=[N+]([O-])c1cncc(Cl)c1NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC001166899647 1383496387 /nfs/dbraw/zinc/49/63/87/1383496387.db2.gz DAXBXJRSFBTCIZ-OAHLLOKOSA-N 1 0 346.818 3.314 20 5 EGBDRO CCCC[NH+](CCCC)CCNc1nc(C)c([N+](=O)[O-])c(OC)n1 ZINC001167732309 1383724349 /nfs/dbraw/zinc/72/43/49/1383724349.db2.gz WTCHVFDVJAHGIC-UHFFFAOYSA-N 1 0 339.440 3.016 20 5 EGBDRO [NH3+]CCc1ccn(-c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)n1 ZINC001167730989 1383724680 /nfs/dbraw/zinc/72/46/80/1383724680.db2.gz WRAGUTZVRBTBNZ-UHFFFAOYSA-N 1 0 340.408 3.433 20 5 EGBDRO [NH3+][C@@H]1CCc2nn(-c3ccc(-c4ccc([N+](=O)[O-])cc4)cc3)cc2C1 ZINC001168819210 1384017312 /nfs/dbraw/zinc/01/73/12/1384017312.db2.gz WLAVQDXRJQNYDU-MRXNPFEDSA-N 1 0 334.379 3.264 20 5 EGBDRO CC(C)c1cc(CNc2ccc([N+](=O)[O-])c(OCC[NH+](C)C)c2)on1 ZINC001168827713 1384021420 /nfs/dbraw/zinc/02/14/20/1384021420.db2.gz KKFSBGDUUDEJHH-UHFFFAOYSA-N 1 0 348.403 3.259 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CCCc2cncc(C(F)(F)F)c2)C1 ZINC001168959382 1384070877 /nfs/dbraw/zinc/07/08/77/1384070877.db2.gz VJEGXPFCYCWLIG-OCCSQVGLSA-N 1 0 331.338 3.068 20 5 EGBDRO CC(C)(C)OC(=O)c1ccc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001168964430 1384072674 /nfs/dbraw/zinc/07/26/74/1384072674.db2.gz SINYNSZWZDOFQQ-GOEBONIOSA-N 1 0 334.416 3.177 20 5 EGBDRO C[C@H](Cc1cccc(Br)c1)[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168990182 1384080063 /nfs/dbraw/zinc/08/00/63/1384080063.db2.gz YAIYZZIQUFJUBL-ZLDLUXBVSA-N 1 0 341.249 3.415 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2cncn2Cc2cccc(Cl)c2)C1 ZINC001168992477 1384081123 /nfs/dbraw/zinc/08/11/23/1384081123.db2.gz JXNILFWZYACBAA-ZBFHGGJFSA-N 1 0 348.834 3.120 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2cncn2Cc2ccccc2Cl)C1 ZINC001168998164 1384082856 /nfs/dbraw/zinc/08/28/56/1384082856.db2.gz IWMPQCOIJLWNLW-HIFRSBDPSA-N 1 0 348.834 3.120 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2csc(-c3cccc(F)c3)n2)C1 ZINC001169003597 1384085171 /nfs/dbraw/zinc/08/51/71/1384085171.db2.gz OMRQVGAUNQYDFR-SMDDNHRTSA-N 1 0 335.404 3.484 20 5 EGBDRO CC1([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCN(Cc2ccccc2)CC1 ZINC001169006799 1384085876 /nfs/dbraw/zinc/08/58/76/1384085876.db2.gz ZCPHEALURJMGIL-QZTJIDSGSA-N 1 0 331.460 3.076 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CCc2ccc(Br)s2)C1 ZINC001169005862 1384086388 /nfs/dbraw/zinc/08/63/88/1384086388.db2.gz VENBPIISCOTFBM-NXEZZACHSA-N 1 0 333.251 3.088 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2Cc3ccc(Br)cc3C2)C1 ZINC001169009111 1384086958 /nfs/dbraw/zinc/08/69/58/1384086958.db2.gz VOWFPROVHQVXCO-IINYFYTJSA-N 1 0 325.206 3.210 20 5 EGBDRO Cc1cc(C[N@H+](Cc2ccccc2)[C@H]2CC[C@@H](C[N+](=O)[O-])C2)on1 ZINC001169039235 1384097874 /nfs/dbraw/zinc/09/78/74/1384097874.db2.gz OMLFFSLHQWHWID-SJORKVTESA-N 1 0 329.400 3.431 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCN(c3cccc4sccc43)CC2)C1 ZINC001169046864 1384100125 /nfs/dbraw/zinc/10/01/25/1384100125.db2.gz NVHSOLDDEJDOCH-LSDHHAIUSA-N 1 0 345.468 3.469 20 5 EGBDRO COC(=O)c1ccc([C@@H]2CCCC[N@@H+]2[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001169048740 1384100856 /nfs/dbraw/zinc/10/08/56/1384100856.db2.gz BFBPADJPWDQOKN-OLMNPRSZSA-N 1 0 346.427 3.446 20 5 EGBDRO COc1nc(C)c(N[C@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)cc1[N+](=O)[O-] ZINC001169143515 1384113235 /nfs/dbraw/zinc/11/32/35/1384113235.db2.gz KGHHWTDAEJVBFX-YVEFUNNKSA-N 1 0 336.436 3.262 20 5 EGBDRO COc1ncc([N+](=O)[O-])cc1N1CCC[C@H]([NH3+])c2cc(C)ccc21 ZINC001169699253 1384175031 /nfs/dbraw/zinc/17/50/31/1384175031.db2.gz WBRHXCQPPBKHOY-AWEZNQCLSA-N 1 0 328.372 3.239 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+][C@@H](C)c2ccc(N)cc2)c([N+](=O)[O-])c1 ZINC001170314425 1384288802 /nfs/dbraw/zinc/28/88/02/1384288802.db2.gz VIOIRNACQQIVFG-STQMWFEESA-N 1 0 329.400 3.467 20 5 EGBDRO COc1ccc(C[C@H](C)[N@@H+]2CC[C@@H](c3cccnc3)C2)c([N+](=O)[O-])c1 ZINC001170348580 1384297703 /nfs/dbraw/zinc/29/77/03/1384297703.db2.gz YTQYDVMVDHQCFI-WMLDXEAASA-N 1 0 341.411 3.419 20 5 EGBDRO COc1ccc(C[C@@H](C)[N@@H+]2CC[C@]3(C2)CCCOC3)c([N+](=O)[O-])c1 ZINC001170351400 1384297918 /nfs/dbraw/zinc/29/79/18/1384297918.db2.gz GAHBNBBLCONBPI-KDOFPFPSSA-N 1 0 334.416 3.037 20 5 EGBDRO O=C(NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC001171813449 1384648043 /nfs/dbraw/zinc/64/80/43/1384648043.db2.gz OZWJAQYGYCAXNS-UHFFFAOYSA-N 1 0 347.802 3.158 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@H](CO)c1ccc(F)cc1)CC2 ZINC001172896114 1384873594 /nfs/dbraw/zinc/87/35/94/1384873594.db2.gz MDVODNJZWRBJJU-IEBWSBKVSA-N 1 0 344.386 3.305 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@@H](CO)c1ccc(F)cc1)CC2 ZINC001172896112 1384873809 /nfs/dbraw/zinc/87/38/09/1384873809.db2.gz MDVODNJZWRBJJU-HKUYNNGSSA-N 1 0 344.386 3.305 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CCCc3nccnc31)CC2 ZINC001172905146 1384875446 /nfs/dbraw/zinc/87/54/46/1384875446.db2.gz QREXYQCQVJOBFR-CRAIPNDOSA-N 1 0 338.411 3.299 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]Cc1cc3ccccn3n1)CC2 ZINC001172908611 1384875465 /nfs/dbraw/zinc/87/54/65/1384875465.db2.gz XQZGTZKZMDADEN-MRXNPFEDSA-N 1 0 336.395 3.280 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]C[C@@H](O)C1CCCCC1)CC2 ZINC001172912120 1384876327 /nfs/dbraw/zinc/87/63/27/1384876327.db2.gz MFERHKMUNHMPHJ-IEBWSBKVSA-N 1 0 332.444 3.373 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1CC[C@H]3OCCC[C@@H]3C1)CC2 ZINC001172912739 1384876606 /nfs/dbraw/zinc/87/66/06/1384876606.db2.gz LYAJFGCFORERIM-ZIFCJYIRSA-N 1 0 330.428 3.343 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H](n1cncc1C1CC[NH2+]CC1)CC2 ZINC001172919299 1384878255 /nfs/dbraw/zinc/87/82/55/1384878255.db2.gz FMXCSIPWVNCZSK-KRWDZBQOSA-N 1 0 340.427 3.378 20 5 EGBDRO O=[N+]([O-])c1cc(F)c(N2CCC([N@@H+]3CCC[C@@H]4C[C@@H]43)CC2)c(F)c1 ZINC001173020037 1384897619 /nfs/dbraw/zinc/89/76/19/1384897619.db2.gz PKOWWJCZAUOWQG-BZNIZROVSA-N 1 0 337.370 3.326 20 5 EGBDRO C[C@@H]1C[C@H](F)C[N@@H+]1C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173010684 1384897636 /nfs/dbraw/zinc/89/76/36/1384897636.db2.gz XNTMFJMLVDHECJ-MNOVXSKESA-N 1 0 343.349 3.274 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]Cc2cccc(C)n2)c1F ZINC001173174797 1384931146 /nfs/dbraw/zinc/93/11/46/1384931146.db2.gz CCIVWLBACNMIMI-GFCCVEGCSA-N 1 0 333.363 3.167 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+](C)Cc2cncs2)c1F ZINC001173191300 1384933908 /nfs/dbraw/zinc/93/39/08/1384933908.db2.gz BMXUVZIHWZEQPP-JTQLQIEISA-N 1 0 339.392 3.262 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+](C)CCc2cccnc2)c1F ZINC001173196784 1384934064 /nfs/dbraw/zinc/93/40/64/1384934064.db2.gz OTUONRHSKJERNE-ZDUSSCGKSA-N 1 0 347.390 3.243 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC2(CC(F)(F)CO2)CC1 ZINC001173221042 1384938496 /nfs/dbraw/zinc/93/84/96/1384938496.db2.gz FLQQCDDFFPHEMJ-ZDUSSCGKSA-N 1 0 340.370 3.416 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc(C2OCCO2)cc1 ZINC001173220509 1384938576 /nfs/dbraw/zinc/93/85/76/1384938576.db2.gz FOILGMJGECMYGR-CQSZACIVSA-N 1 0 342.395 3.361 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCCN(c2ccccn2)C1 ZINC001173224212 1384939235 /nfs/dbraw/zinc/93/92/35/1384939235.db2.gz MSOJUNFRNGRIDA-DOTOQJQBSA-N 1 0 340.427 3.179 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC(=O)c1cc(F)ccc1F ZINC001173224147 1384939340 /nfs/dbraw/zinc/93/93/40/1384939340.db2.gz MJKAXLWQYGXXAS-NSHDSACASA-N 1 0 334.322 3.277 20 5 EGBDRO CCOC(=O)[C@@H]1CCC[C@@H]([NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173224114 1384939344 /nfs/dbraw/zinc/93/93/44/1384939344.db2.gz MCTNJXVYWKMXKX-FVQBIDKESA-N 1 0 334.416 3.237 20 5 EGBDRO COc1ccc(C2(C[NH2+][C@@H](C)Cc3ccc([N+](=O)[O-])cc3)CC2)nc1 ZINC001173226661 1384939532 /nfs/dbraw/zinc/93/95/32/1384939532.db2.gz YLTGZAXIMQFOAI-AWEZNQCLSA-N 1 0 341.411 3.251 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H]([C@H](N)C(F)(F)F)C1 ZINC001173228260 1384940529 /nfs/dbraw/zinc/94/05/29/1384940529.db2.gz IJDPOSBQMQFBDF-ZLDLUXBVSA-N 1 0 345.365 3.127 20 5 EGBDRO CCOC(=O)[C@@H]1CCCC[N@@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173232341 1384941517 /nfs/dbraw/zinc/94/15/17/1384941517.db2.gz FHXCXVJSWIIXCZ-GOEBONIOSA-N 1 0 334.416 3.191 20 5 EGBDRO Cc1nnc([C@H]2CCC[N@@H+]([C@H](C)Cc3ccc([N+](=O)[O-])cc3)C2)o1 ZINC001173233854 1384941627 /nfs/dbraw/zinc/94/16/27/1384941627.db2.gz ZZRWVZXMWFWFHM-DOMZBBRYSA-N 1 0 330.388 3.097 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)C[C@H]1Cc2ccccc2O1 ZINC001173238350 1384943103 /nfs/dbraw/zinc/94/31/03/1384943103.db2.gz QJDADOZEEBCUOS-KBXCAEBGSA-N 1 0 326.396 3.461 20 5 EGBDRO COc1cc(Nc2ccc([N+](=O)[O-])cc2)ccc1N1CC[NH+](C)CC1 ZINC001174479878 1385113023 /nfs/dbraw/zinc/11/30/23/1385113023.db2.gz MTDRQFMYYXBHRX-UHFFFAOYSA-N 1 0 342.399 3.099 20 5 EGBDRO Cc1cc(C(=O)NCCC[NH2+]Cc2ccccc2[N+](=O)[O-])sc1C ZINC001175600165 1385345817 /nfs/dbraw/zinc/34/58/17/1385345817.db2.gz QUCSFNVKUZZGKL-UHFFFAOYSA-N 1 0 347.440 3.183 20 5 EGBDRO O=C(NCCCCCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1cc[nH]c1 ZINC001178551457 1386246643 /nfs/dbraw/zinc/24/66/43/1386246643.db2.gz LTSZROOGOUAAGV-UHFFFAOYSA-N 1 0 344.415 3.003 20 5 EGBDRO COc1cc(C[N@H+](C)[C@H]2CC[C@@H](SC)C2)c([N+](=O)[O-])cc1OC ZINC001319718501 1386267222 /nfs/dbraw/zinc/26/72/22/1386267222.db2.gz PZGBNFVEOWKGDJ-QWHCGFSZSA-N 1 0 340.445 3.328 20 5 EGBDRO C[NH+]1CCC(C)(C(=O)n2c3ccccc3cc3c(=O)c(N)ccc2-3)CC1 ZINC001181986410 1387087577 /nfs/dbraw/zinc/08/75/77/1387087577.db2.gz AHBPTQKJZDQFLB-UHFFFAOYSA-N 1 0 349.434 3.061 20 5 EGBDRO Cc1ccc(-c2nnc(CC[NH+]3CCC(C)CC3)o2)cc1[N+](=O)[O-] ZINC001322535918 1387202379 /nfs/dbraw/zinc/20/23/79/1387202379.db2.gz BJQNREDUNMWYCU-UHFFFAOYSA-N 1 0 330.388 3.228 20 5 EGBDRO C[C@@H]1C[C@H](C)N(c2ncnc3c(Cl)cc([N+](=O)[O-])cc32)C[C@@H]1C[NH3+] ZINC001329674207 1389200186 /nfs/dbraw/zinc/20/01/86/1389200186.db2.gz XJYXKEQDSVNPLY-VWYCJHECSA-N 1 0 349.822 3.001 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1-c1nc([C@@H]2C[NH+]3CCC2CC3)no1 ZINC001337824424 1389453670 /nfs/dbraw/zinc/45/36/70/1389453670.db2.gz NNCRCFUQBWKEBN-CYBMUJFWSA-N 1 0 346.412 3.176 20 5 EGBDRO C[N@@H+]1CCC[C@@H]2CN(c3ncc([N+](=O)[O-])c4ccccc43)CC[C@@H]21 ZINC001331120366 1389632326 /nfs/dbraw/zinc/63/23/26/1389632326.db2.gz TUTWQIFGJYOGIF-CJNGLKHVSA-N 1 0 326.400 3.064 20 5 EGBDRO O=C(NCCCCC[NH+]1CCCC1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001331274852 1389681714 /nfs/dbraw/zinc/68/17/14/1389681714.db2.gz LOYZLIUOTXYZKH-UHFFFAOYSA-N 1 0 338.383 3.122 20 5 EGBDRO CC[NH+](CC)C[C@@H]1CCN(c2ncc([N+](=O)[O-])c3ccccc32)C1 ZINC001331570383 1389807140 /nfs/dbraw/zinc/80/71/40/1389807140.db2.gz OETYODAYSKFHSU-AWEZNQCLSA-N 1 0 328.416 3.311 20 5 EGBDRO CSC[C@H](CCO)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC001332229965 1390058032 /nfs/dbraw/zinc/05/80/32/1390058032.db2.gz BIWCKKOOLXYKEH-QWRGUYRKSA-N 1 0 330.475 3.081 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCc1nc(C(C)C)no1 ZINC001333321325 1390283583 /nfs/dbraw/zinc/28/35/83/1390283583.db2.gz JYWWGBQTPTZZGK-LLVKDONJSA-N 1 0 334.376 3.003 20 5 EGBDRO C[C@@H]([NH2+]Cc1c(Br)cccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC001334056860 1390468854 /nfs/dbraw/zinc/46/88/54/1390468854.db2.gz KVFDOCAWOPAFDZ-GHMZBOCLSA-N 1 0 343.221 3.262 20 5 EGBDRO Cc1cc(NC(=O)c2csc(C3CC[NH2+]CC3)n2)cc([N+](=O)[O-])c1 ZINC001342896010 1390669296 /nfs/dbraw/zinc/66/92/96/1390669296.db2.gz DGCLYWLLTDKQNZ-UHFFFAOYSA-N 1 0 346.412 3.079 20 5 EGBDRO Cc1ccc([C@@H]2C[C@H]2[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC001335518611 1390697259 /nfs/dbraw/zinc/69/72/59/1390697259.db2.gz LRIPGQNFWJWNGC-DOTOQJQBSA-N 1 0 339.395 3.378 20 5 EGBDRO CC[N@@H+]1CCC[C@H](CNC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)C1 ZINC001343510190 1390719064 /nfs/dbraw/zinc/71/90/64/1390719064.db2.gz NXRKWVNJMUNYCD-CQSZACIVSA-N 1 0 334.420 3.065 20 5 EGBDRO C[C@H](COc1ccccc1F)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC001343916516 1390744057 /nfs/dbraw/zinc/74/40/57/1390744057.db2.gz MLIPSONOUPJODM-VXGBXAGGSA-N 1 0 333.363 3.434 20 5 EGBDRO COC[C@]1(C)CCN(Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC001344126866 1390757586 /nfs/dbraw/zinc/75/75/86/1390757586.db2.gz RVVFEMXXWKVHKY-CQSZACIVSA-N 1 0 343.221 3.216 20 5 EGBDRO Cc1ccc(C[N@@H+]2CCCN(c3ccc(N)cc3[N+](=O)[O-])CC2)cc1 ZINC001346019097 1390901311 /nfs/dbraw/zinc/90/13/11/1390901311.db2.gz XRESLNNZANTNNX-UHFFFAOYSA-N 1 0 340.427 3.198 20 5 EGBDRO C[C@@H]1C[C@@H]2CC[C@H](C(=O)NC(C)(C)c3ccc([N+](=O)[O-])cc3)C[N@@H+]2C1 ZINC001346984366 1390990994 /nfs/dbraw/zinc/99/09/94/1390990994.db2.gz AAKRTSWABPUOIE-KEYYUXOJSA-N 1 0 345.443 3.067 20 5 EGBDRO COC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001347648614 1391105476 /nfs/dbraw/zinc/10/54/76/1391105476.db2.gz SOQFVTXEAUNDGY-WCQYABFASA-N 1 0 346.305 3.045 20 5 EGBDRO C[C@H](CO)[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC001349636025 1391347383 /nfs/dbraw/zinc/34/73/83/1391347383.db2.gz FUARLCVZTQYHBP-MRXNPFEDSA-N 1 0 344.411 3.247 20 5 EGBDRO CCN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)c1sccc1C ZINC001754030145 1440533642 /nfs/dbraw/zinc/53/36/42/1440533642.db2.gz DLZZOXNDANFKSM-UHFFFAOYSA-N 1 0 347.440 3.217 20 5 EGBDRO CC(C)(C)/C=C\C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001755467161 1440858314 /nfs/dbraw/zinc/85/83/14/1440858314.db2.gz NYPRBHPSWVVMKD-QNQPZSPESA-N 1 0 345.443 3.182 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)nc(N2CCCC[C@H]2CC[NH+]2CCCC2)c1 ZINC001165045984 721965259 /nfs/dbraw/zinc/96/52/59/721965259.db2.gz FSIPORAJOPTAEZ-ZDUSSCGKSA-N 1 0 338.839 3.488 20 5 EGBDRO O=[N+]([O-])c1cnc(N2CCCC[C@@H]2CC[NH+]2CCCC2)c(Cl)c1 ZINC001165048778 721965397 /nfs/dbraw/zinc/96/53/97/721965397.db2.gz ZGNXHJYSPPCZLD-CYBMUJFWSA-N 1 0 338.839 3.488 20 5 EGBDRO Cc1ccccc1C[C@H](CO)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000786156203 1126109726 /nfs/dbraw/zinc/10/97/26/1126109726.db2.gz ALMZWUAZAVRQGC-MRXNPFEDSA-N 1 0 334.803 3.250 20 5 EGBDRO Cc1ccc(C[C@H](CO)[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000786163164 1126109913 /nfs/dbraw/zinc/10/99/13/1126109913.db2.gz IYMPJICDWDTEDP-MRXNPFEDSA-N 1 0 334.803 3.250 20 5 EGBDRO Cc1ncc2c(n1)CC[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)C2 ZINC000370671729 282171228 /nfs/dbraw/zinc/17/12/28/282171228.db2.gz WYLXBPJCTXRMPI-SWLSCSKDSA-N 1 0 326.400 3.210 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)N2C[C@@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000181806778 234329691 /nfs/dbraw/zinc/32/96/91/234329691.db2.gz BYHVBNKWNZXEDL-KCQAQPDRSA-N 1 0 333.432 3.058 20 5 EGBDRO Cc1cccc(CNC(=O)C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000181832554 234343720 /nfs/dbraw/zinc/34/37/20/234343720.db2.gz OGMLUEICQKMXRP-HNNXBMFYSA-N 1 0 341.411 3.179 20 5 EGBDRO Cc1csc([C@@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)C2CC2)n1 ZINC000183509692 235116644 /nfs/dbraw/zinc/11/66/44/235116644.db2.gz BOVDJIMUQJBCHW-HNNXBMFYSA-N 1 0 333.413 3.479 20 5 EGBDRO C[C@](O)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)c1cccs1 ZINC000183806184 235231820 /nfs/dbraw/zinc/23/18/20/235231820.db2.gz FHIRLMVPNULGDD-AWEZNQCLSA-N 1 0 326.805 3.307 20 5 EGBDRO C[C@H](NC(=O)c1ccc([N+](=O)[O-])s1)[C@@H](c1ccccc1)[NH+](C)C ZINC000187193590 236143017 /nfs/dbraw/zinc/14/30/17/236143017.db2.gz KKLVPDAKKLNHEE-NHYWBVRUSA-N 1 0 333.413 3.078 20 5 EGBDRO Cc1ccc([C@@H](CNc2cc(N)ccc2[N+](=O)[O-])[NH+]2CCCC2)o1 ZINC000193404733 240149624 /nfs/dbraw/zinc/14/96/24/240149624.db2.gz GQOCMOUVSYXIQX-MRXNPFEDSA-N 1 0 330.388 3.327 20 5 EGBDRO Cc1ccc([C@H](CNc2cc(N)ccc2[N+](=O)[O-])[NH+]2CCCC2)o1 ZINC000193404744 240150847 /nfs/dbraw/zinc/15/08/47/240150847.db2.gz GQOCMOUVSYXIQX-INIZCTEOSA-N 1 0 330.388 3.327 20 5 EGBDRO C[C@@](CO)(C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000342209651 241665594 /nfs/dbraw/zinc/66/55/94/241665594.db2.gz LPKVIRGXMVJNAG-FUKPKEADSA-N 1 0 326.396 3.148 20 5 EGBDRO CCC(CC)(CC)[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000081156575 203472748 /nfs/dbraw/zinc/47/27/48/203472748.db2.gz NMVRDNBIBVUDFX-UHFFFAOYSA-N 1 0 337.420 3.490 20 5 EGBDRO CNC(=O)c1cccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000155874095 206041683 /nfs/dbraw/zinc/04/16/83/206041683.db2.gz ICJUORANAFSQFY-CYBMUJFWSA-N 1 0 327.384 3.114 20 5 EGBDRO Cc1cc(C)n(CCC[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000156339319 206072102 /nfs/dbraw/zinc/07/21/02/206072102.db2.gz BXTBLCZZGLDVIQ-GOSISDBHSA-N 1 0 342.443 3.409 20 5 EGBDRO CC(C)[C@]1(CO)CC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000377655718 169055287 /nfs/dbraw/zinc/05/52/87/169055287.db2.gz QLFNUYWQOYCXQV-GOSISDBHSA-N 1 0 345.399 3.090 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000094068627 218263753 /nfs/dbraw/zinc/26/37/53/218263753.db2.gz IQNFIQHYGCQJKX-MRXNPFEDSA-N 1 0 347.459 3.370 20 5 EGBDRO CSC(C)(C)C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000174437847 207019037 /nfs/dbraw/zinc/01/90/37/207019037.db2.gz UPKHVQSZZGZIHB-UHFFFAOYSA-N 1 0 334.445 3.227 20 5 EGBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCCC[C@H]2c2cc3ccccc3[nH]2)n1 ZINC000176236541 207204865 /nfs/dbraw/zinc/20/48/65/207204865.db2.gz JOJLKHBGQHMICP-KRWDZBQOSA-N 1 0 339.399 3.500 20 5 EGBDRO O=C(NC1CC[NH+](C2CCCCC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000177261666 207313495 /nfs/dbraw/zinc/31/34/95/207313495.db2.gz CUVDXVKFGRJLSE-UHFFFAOYSA-N 1 0 331.416 3.122 20 5 EGBDRO Cc1cc(C(=O)NC2CC[NH+](C3CCCCC3)CC2)ccc1[N+](=O)[O-] ZINC000177256644 207313824 /nfs/dbraw/zinc/31/38/24/207313824.db2.gz SMFRHGIWHCXZOI-UHFFFAOYSA-N 1 0 345.443 3.430 20 5 EGBDRO Cc1cc(C(=O)NC2CC[NH+](C3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000177454904 207339450 /nfs/dbraw/zinc/33/94/50/207339450.db2.gz PXRDNKHFMMNZMM-UHFFFAOYSA-N 1 0 331.416 3.040 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[N@H+](CCCO[C@@H]1CCCCO1)C1CC1 ZINC000338273631 285159914 /nfs/dbraw/zinc/15/99/14/285159914.db2.gz HMVAQKSDSQPNAX-GOSISDBHSA-N 1 0 334.416 3.493 20 5 EGBDRO O=[N+]([O-])c1cnc(N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC000368590720 285179617 /nfs/dbraw/zinc/17/96/17/285179617.db2.gz DQGXQAAUMYTRLA-HUUCEWRRSA-N 1 0 344.440 3.010 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c1 ZINC000268932260 255498451 /nfs/dbraw/zinc/49/84/51/255498451.db2.gz CMPPUJZKUZFYLG-ZWKOTPCHSA-N 1 0 333.432 3.083 20 5 EGBDRO CCOc1ccc(C(=O)NCC[NH2+]C2CCCCCC2)cc1[N+](=O)[O-] ZINC000159664025 140943766 /nfs/dbraw/zinc/94/37/66/140943766.db2.gz HQPHVRQCIUPGFF-UHFFFAOYSA-N 1 0 349.431 3.036 20 5 EGBDRO O=[N+]([O-])c1ccc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(F)c1 ZINC000269703139 141060110 /nfs/dbraw/zinc/06/01/10/141060110.db2.gz YZQHMXINYVPCGE-KSSFIOAISA-N 1 0 333.407 3.183 20 5 EGBDRO C[N@H+]1CC=C(CNc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000342793570 141148526 /nfs/dbraw/zinc/14/85/26/141148526.db2.gz VQAKVIZWWTWIPQ-UHFFFAOYSA-N 1 0 326.194 3.031 20 5 EGBDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1ccc(Br)o1 ZINC000350626596 141257350 /nfs/dbraw/zinc/25/73/50/141257350.db2.gz NWGYAMDMKKPEJY-UHFFFAOYSA-N 1 0 325.162 3.283 20 5 EGBDRO Cc1ccc(CCC[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)cn1 ZINC000353444679 141296974 /nfs/dbraw/zinc/29/69/74/141296974.db2.gz ZYYIFHCNKQWBEF-UHFFFAOYSA-N 1 0 340.427 3.053 20 5 EGBDRO C[C@H]1CC[N@H+](C)CCN1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000353448663 141297865 /nfs/dbraw/zinc/29/78/65/141297865.db2.gz NZVMACZDJWEMIY-AWEZNQCLSA-N 1 0 329.400 3.381 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H](C(=O)N(C)C)C2)cc1[N+](=O)[O-] ZINC000361494820 141440815 /nfs/dbraw/zinc/44/08/15/141440815.db2.gz ACARLSOCFQCOQF-NUEKZKHPSA-N 1 0 333.432 3.201 20 5 EGBDRO CC(C)c1ccc(C[NH2+]CCCCCS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000185217176 144107517 /nfs/dbraw/zinc/10/75/17/144107517.db2.gz WQXGJDBGTFSDHG-UHFFFAOYSA-N 1 0 342.461 3.023 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)[C@H]1COc2ccccc21 ZINC000185555768 144114273 /nfs/dbraw/zinc/11/42/73/144114273.db2.gz LXVSVOGZEPJDFX-MLGOLLRUSA-N 1 0 328.368 3.258 20 5 EGBDRO CCO[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)[C@@H]1Oc1ccccc1 ZINC000187635289 144162394 /nfs/dbraw/zinc/16/23/94/144162394.db2.gz AFOZEVLIXPUHCN-VYDXJSESSA-N 1 0 348.424 3.371 20 5 EGBDRO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCC[C@H]2C2CCOCC2)c(F)c1 ZINC000351729908 144298017 /nfs/dbraw/zinc/29/80/17/144298017.db2.gz JAJWNYDGTAVLEF-INIZCTEOSA-N 1 0 326.343 3.264 20 5 EGBDRO C[C@@H]([NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)c1ccccc1 ZINC000341126181 155176026 /nfs/dbraw/zinc/17/60/26/155176026.db2.gz NIRMSFGQIWESST-CYBMUJFWSA-N 1 0 341.367 3.244 20 5 EGBDRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000116068727 152042310 /nfs/dbraw/zinc/04/23/10/152042310.db2.gz XNCBLXOWFASLNP-ZDUSSCGKSA-N 1 0 343.383 3.143 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3ccc(Cl)cc3)C2)nc1 ZINC000118866667 152159263 /nfs/dbraw/zinc/15/92/63/152159263.db2.gz CANZUUDBCAGVOA-CQSZACIVSA-N 1 0 332.791 3.330 20 5 EGBDRO C[C@H](CCO)[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000121040445 152321056 /nfs/dbraw/zinc/32/10/56/152321056.db2.gz LBTYRHINDRYRMI-GFCCVEGCSA-N 1 0 334.347 3.387 20 5 EGBDRO Cc1cc(NC[C@H]2CCC[NH2+]C2)c(Br)cc1[N+](=O)[O-] ZINC000235908877 153450066 /nfs/dbraw/zinc/45/00/66/153450066.db2.gz IFQLKNTXSCJQSX-JTQLQIEISA-N 1 0 328.210 3.077 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1CN(C)CCOc1ccccc1F ZINC000302811557 154030397 /nfs/dbraw/zinc/03/03/97/154030397.db2.gz WVEKVABWKXPZBE-UHFFFAOYSA-N 1 0 334.347 3.253 20 5 EGBDRO C[C@H](CNc1cc(C(F)(F)F)ncc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000323815371 154171442 /nfs/dbraw/zinc/17/14/42/154171442.db2.gz IWKNXOYHDFWYAP-SNVBAGLBSA-N 1 0 332.326 3.152 20 5 EGBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@@H]3Cc4ccc(Cl)cc4C3)nc2c1 ZINC000337376349 154319488 /nfs/dbraw/zinc/31/94/88/154319488.db2.gz RWIDQKBTSNAQOL-CYBMUJFWSA-N 1 0 342.786 3.382 20 5 EGBDRO Cc1cnc(CC[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)nc1 ZINC000340102232 155099177 /nfs/dbraw/zinc/09/91/77/155099177.db2.gz CXMBDJARQIIJNY-UHFFFAOYSA-N 1 0 338.367 3.286 20 5 EGBDRO Cc1cnc(CC[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)nc1 ZINC000340107595 155100738 /nfs/dbraw/zinc/10/07/38/155100738.db2.gz YXOPBIXJOCRHJA-UHFFFAOYSA-N 1 0 338.367 3.286 20 5 EGBDRO C[NH+](C)CCN(Cc1ccc([N+](=O)[O-])cc1)Cc1ccccc1F ZINC000348902755 156282302 /nfs/dbraw/zinc/28/23/02/156282302.db2.gz DXXKPMRXULWCGC-UHFFFAOYSA-N 1 0 331.391 3.298 20 5 EGBDRO Cc1nccn1CCCCn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000349141096 156364595 /nfs/dbraw/zinc/36/45/95/156364595.db2.gz CLFFMVKNFZEDRU-UHFFFAOYSA-N 1 0 325.372 3.444 20 5 EGBDRO CSCC[C@H](CO)[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000358317665 156804712 /nfs/dbraw/zinc/80/47/12/156804712.db2.gz LFMCGUZSGPQWJU-FVQBIDKESA-N 1 0 338.473 3.010 20 5 EGBDRO O=[N+]([O-])c1cnc(N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)s1 ZINC000368590716 157230641 /nfs/dbraw/zinc/23/06/41/157230641.db2.gz DQGXQAAUMYTRLA-CABCVRRESA-N 1 0 344.440 3.010 20 5 EGBDRO O=C(CC[N@@H+]1CC[C@H](c2ccco2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000372601894 157365375 /nfs/dbraw/zinc/36/53/75/157365375.db2.gz UOAPQWMMUOQFAS-LBPRGKRZSA-N 1 0 347.346 3.145 20 5 EGBDRO C[NH+]1CCC(CNc2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000087834383 161866894 /nfs/dbraw/zinc/86/68/94/161866894.db2.gz FBVHFRUZDCIBIX-UHFFFAOYSA-N 1 0 328.210 3.111 20 5 EGBDRO C[C@H](CCO)[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000093311290 162001943 /nfs/dbraw/zinc/00/19/43/162001943.db2.gz UZDMELBIQUDCDG-MRXNPFEDSA-N 1 0 328.412 3.410 20 5 EGBDRO CC[C@](C)(O)C[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000111384486 162155129 /nfs/dbraw/zinc/15/51/29/162155129.db2.gz KNYJTEVSEYOKID-KRWDZBQOSA-N 1 0 334.372 3.114 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000248590584 163018874 /nfs/dbraw/zinc/01/88/74/163018874.db2.gz ZGAXBYAFTGBQFC-VNHYZAJKSA-N 1 0 349.431 3.346 20 5 EGBDRO CCn1nc(C)c([N+](=O)[O-])c1N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000248661958 163027132 /nfs/dbraw/zinc/02/71/32/163027132.db2.gz GEGJMOWCFNIPRE-CJNGLKHVSA-N 1 0 343.431 3.052 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@@H]3C[C@@H]4OCCC[C@@H]34)cs2)c1 ZINC000249194435 163060386 /nfs/dbraw/zinc/06/03/86/163060386.db2.gz ASUQWYPUUDLFNU-XHSDSOJGSA-N 1 0 345.424 3.375 20 5 EGBDRO CCO[C@@H]1C[C@H]([N@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])C1(C)C ZINC000337256245 163182664 /nfs/dbraw/zinc/18/26/64/163182664.db2.gz SELVPMGXPPYQMQ-JKSUJKDBSA-N 1 0 349.431 3.059 20 5 EGBDRO C[C@H]1CCC[C@](CNC(=O)Nc2ccc([N+](=O)[O-])cc2)([NH+](C)C)C1 ZINC000339102541 163468341 /nfs/dbraw/zinc/46/83/41/163468341.db2.gz MDZYOTSVSGMMFC-GUYCJALGSA-N 1 0 334.420 3.227 20 5 EGBDRO CC(C)(C)OCCCC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000354730636 166018807 /nfs/dbraw/zinc/01/88/07/166018807.db2.gz KOISHVXVYBRADZ-AWEZNQCLSA-N 1 0 336.436 3.071 20 5 EGBDRO COc1cccc(C[C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000344126719 164109429 /nfs/dbraw/zinc/10/94/29/164109429.db2.gz IHBPHBMMGYYACC-NSHDSACASA-N 1 0 335.791 3.373 20 5 EGBDRO COCC[C@H](Cc1ccco1)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000344313300 164153965 /nfs/dbraw/zinc/15/39/65/164153965.db2.gz YLKJPUDYZRSWIU-IEXSPKMKSA-N 1 0 330.384 3.438 20 5 EGBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000344593599 164195474 /nfs/dbraw/zinc/19/54/74/164195474.db2.gz MADAZZHABURXMH-JFIYKMOQSA-N 1 0 347.459 3.311 20 5 EGBDRO CCC[C@H]([NH2+]C(C)C)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000352056844 165212409 /nfs/dbraw/zinc/21/24/09/165212409.db2.gz HLOVSIWOQQSXGS-KRWDZBQOSA-N 1 0 333.432 3.253 20 5 EGBDRO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1ccc(F)c(F)c1 ZINC000352346793 165357272 /nfs/dbraw/zinc/35/72/72/165357272.db2.gz KISWGFIVBZMNNZ-UHFFFAOYSA-N 1 0 349.337 3.334 20 5 EGBDRO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1nc2c(s1)CCC2 ZINC000355130268 166113788 /nfs/dbraw/zinc/11/37/88/166113788.db2.gz YUBZMURHHFNTJD-LLVKDONJSA-N 1 0 333.413 3.270 20 5 EGBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC1=CC[N@H+](C)CC1 ZINC000356788458 166509273 /nfs/dbraw/zinc/50/92/73/166509273.db2.gz SSDDSTJHHYFDNL-UHFFFAOYSA-N 1 0 349.456 3.089 20 5 EGBDRO CCn1nc(C)c([N+](=O)[O-])c1NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000358951192 167017400 /nfs/dbraw/zinc/01/74/00/167017400.db2.gz LQYIBUUFJFFIPU-KBPBESRZSA-N 1 0 337.468 3.290 20 5 EGBDRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000359329998 167127367 /nfs/dbraw/zinc/12/73/67/167127367.db2.gz NFHYVSRQHLFDDL-ZDUSSCGKSA-N 1 0 344.415 3.070 20 5 EGBDRO CC[C@@H](C)[NH2+][C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000359548953 167187867 /nfs/dbraw/zinc/18/78/67/167187867.db2.gz VIBSCYKSLYXKFN-IUODEOHRSA-N 1 0 331.372 3.047 20 5 EGBDRO COc1cccc2c1CC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000359886469 167257801 /nfs/dbraw/zinc/25/78/01/167257801.db2.gz RJBUDCWZXPIGBL-UHFFFAOYSA-N 1 0 328.368 3.041 20 5 EGBDRO O=C1CC[C@@H](NCc2ccccc2[N+](=O)[O-])c2cc(F)ccc2N1 ZINC000360578569 167362401 /nfs/dbraw/zinc/36/24/01/167362401.db2.gz FNNLLAORLZZBRG-CQSZACIVSA-N 1 0 329.331 3.297 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000365063894 168017440 /nfs/dbraw/zinc/01/74/40/168017440.db2.gz BLCOWDQUEVQBNI-HNNXBMFYSA-N 1 0 346.431 3.304 20 5 EGBDRO CCc1ccc([C@@H]2CN(C(=O)c3csc([N+](=O)[O-])c3)CCN2)cc1 ZINC000367070259 168175817 /nfs/dbraw/zinc/17/58/17/168175817.db2.gz BMPBWGVDBSYXBX-HNNXBMFYSA-N 1 0 345.424 3.005 20 5 EGBDRO C[C@@H]([NH2+][C@H]1CC(=O)N(c2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000173356593 264977072 /nfs/dbraw/zinc/97/70/72/264977072.db2.gz STTFOXNXFGEDJM-HIFRSBDPSA-N 1 0 325.368 3.051 20 5 EGBDRO C[C@H](CCNC(=O)c1csc([N+](=O)[O-])c1)[N@H+](C)Cc1ccccc1 ZINC000173611133 264991347 /nfs/dbraw/zinc/99/13/47/264991347.db2.gz KDEPMGYGNIGXDD-CYBMUJFWSA-N 1 0 347.440 3.297 20 5 EGBDRO CC(C)[NH+](CCCNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)C(C)C ZINC000173919427 265012142 /nfs/dbraw/zinc/01/21/42/265012142.db2.gz WRHOHZHOZVFBQC-UHFFFAOYSA-N 1 0 348.447 3.400 20 5 EGBDRO Cc1ccc(C(=O)NCC[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000193911431 266072975 /nfs/dbraw/zinc/07/29/75/266072975.db2.gz JVQDAJDXRLLJAK-OAHLLOKOSA-N 1 0 341.411 3.292 20 5 EGBDRO Cc1cc(C(=O)N(CC[NH+](C)C)C2CCCCC2)cc([N+](=O)[O-])c1 ZINC000194706114 266139386 /nfs/dbraw/zinc/13/93/86/266139386.db2.gz JQLURFUKSYCWRG-UHFFFAOYSA-N 1 0 333.432 3.240 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)cc1 ZINC000195582096 266188392 /nfs/dbraw/zinc/18/83/92/266188392.db2.gz HOKLDLJJJKIZLP-UHFFFAOYSA-N 1 0 348.786 3.352 20 5 EGBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCCN(c3ccccc3)CC2)cc1 ZINC000195718826 266191726 /nfs/dbraw/zinc/19/17/26/266191726.db2.gz JBTIQMHVBYRHRH-UHFFFAOYSA-N 1 0 341.411 3.186 20 5 EGBDRO C[N@@H+](Cc1ccc(Cl)s1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269710232 266345256 /nfs/dbraw/zinc/34/52/56/266345256.db2.gz PBZBEJRVSDQCRW-CYBMUJFWSA-N 1 0 326.805 3.475 20 5 EGBDRO CCN(CC)C(=O)C[C@H](C)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000272539028 266865769 /nfs/dbraw/zinc/86/57/69/266865769.db2.gz BUVGCDFUPIULIR-LBPRGKRZSA-N 1 0 341.839 3.027 20 5 EGBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000273374979 267028435 /nfs/dbraw/zinc/02/84/35/267028435.db2.gz YDUQRTLEDDIYCY-NSHDSACASA-N 1 0 343.374 3.363 20 5 EGBDRO Cc1c([C@H](C)[NH2+]CCc2cn3c(n2)SCC3)cccc1[N+](=O)[O-] ZINC000274420765 267234196 /nfs/dbraw/zinc/23/41/96/267234196.db2.gz TZFPVZNEHBBRGX-LBPRGKRZSA-N 1 0 332.429 3.099 20 5 EGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC000278395055 268003442 /nfs/dbraw/zinc/00/34/42/268003442.db2.gz GFJLCHKRRRGZOC-FZKQIMNGSA-N 1 0 332.375 3.378 20 5 EGBDRO CO[C@@H](C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccccc1 ZINC000338545232 274059680 /nfs/dbraw/zinc/05/96/80/274059680.db2.gz WCNCBWWMPWCCHI-IBGZPJMESA-N 1 0 341.411 3.105 20 5 EGBDRO C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000089513345 274206838 /nfs/dbraw/zinc/20/68/38/274206838.db2.gz BLYJBJNXACMNLR-NSHDSACASA-N 1 0 348.790 3.150 20 5 EGBDRO C[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@H](C)[N@H+]1C ZINC000339615570 274353308 /nfs/dbraw/zinc/35/33/08/274353308.db2.gz KGJJAPSDTHEBHH-PHIMTYICSA-N 1 0 331.338 3.138 20 5 EGBDRO Cc1cc(=[NH+]Cc2cn3ccsc3n2)c2cc([N+](=O)[O-])ccc2[nH]1 ZINC000362556401 274674144 /nfs/dbraw/zinc/67/41/44/274674144.db2.gz UEKVYPHTOMCMPX-UHFFFAOYSA-N 1 0 339.380 3.195 20 5 EGBDRO Cc1cnc([C@H](C)[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])s1 ZINC000185031649 274827521 /nfs/dbraw/zinc/82/75/21/274827521.db2.gz KLDAIBKNJCBTPK-NSHDSACASA-N 1 0 334.401 3.039 20 5 EGBDRO Cc1ncc2c(n1)CC[C@H]([NH2+][C@H]1CCCc3ccc([N+](=O)[O-])cc31)C2 ZINC000375712507 274857553 /nfs/dbraw/zinc/85/75/53/274857553.db2.gz SGZCODMXIKGWES-KXBFYZLASA-N 1 0 338.411 3.218 20 5 EGBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@H]3Cc4ccc(Cl)cc4C3)nc2c1 ZINC000337376350 275038847 /nfs/dbraw/zinc/03/88/47/275038847.db2.gz RWIDQKBTSNAQOL-ZDUSSCGKSA-N 1 0 342.786 3.382 20 5 EGBDRO C[NH+](C)Cc1cccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c1 ZINC000047452792 275141716 /nfs/dbraw/zinc/14/17/16/275141716.db2.gz AAWBDELPQJAYCY-MDZDMXLPSA-N 1 0 325.368 3.308 20 5 EGBDRO CC(C)(C)[C@H]1C[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CS1 ZINC000278714629 275268125 /nfs/dbraw/zinc/26/81/25/275268125.db2.gz OZUUYFMTYIMELX-QMTHXVAHSA-N 1 0 334.445 3.481 20 5 EGBDRO C[C@@H]([NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C(=O)NC(C)(C)C ZINC000279176832 275310128 /nfs/dbraw/zinc/31/01/28/275310128.db2.gz VELZXJBSPFMZAJ-IAQYHMDHSA-N 1 0 333.432 3.210 20 5 EGBDRO C[C@H](CCn1cccn1)[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000279519050 275336758 /nfs/dbraw/zinc/33/67/58/275336758.db2.gz ODMSZPRUQCBJAC-LLVKDONJSA-N 1 0 342.321 3.379 20 5 EGBDRO CCC(=O)c1ccc(N2CC[C@@H](C[NH+]3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000280679145 275481721 /nfs/dbraw/zinc/48/17/21/275481721.db2.gz IEGHIXPBHWWFEI-HNNXBMFYSA-N 1 0 345.443 3.500 20 5 EGBDRO C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000280763075 275493295 /nfs/dbraw/zinc/49/32/95/275493295.db2.gz FPMGUXQHEQIHKP-NSHDSACASA-N 1 0 342.321 3.031 20 5 EGBDRO C[C@@H]([NH2+]C1CCN(c2nccs2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000280990333 275512211 /nfs/dbraw/zinc/51/22/11/275512211.db2.gz IYIACHQRUYPZNM-GFCCVEGCSA-N 1 0 332.429 3.371 20 5 EGBDRO C[C@H]([NH2+]C[C@@H]1CCN(c2ccccc2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283995632 275766659 /nfs/dbraw/zinc/76/66/59/275766659.db2.gz HNRCYTFGIGVCMF-GJZGRUSLSA-N 1 0 340.427 3.354 20 5 EGBDRO C[C@H]([NH2+]CCCn1cnc2ccccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284069558 275771978 /nfs/dbraw/zinc/77/19/78/275771978.db2.gz LGRHIQFUOWNZCQ-ZDUSSCGKSA-N 1 0 339.399 3.268 20 5 EGBDRO C[C@H]1COCC[C@H]1C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000285462381 275878386 /nfs/dbraw/zinc/87/83/86/275878386.db2.gz JWSRNYANPNBRIJ-JSGCOSHPSA-N 1 0 347.440 3.481 20 5 EGBDRO CCCN(CC[NH+]1CCCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000285749818 275908244 /nfs/dbraw/zinc/90/82/44/275908244.db2.gz QVABYDWYGRNVCI-UHFFFAOYSA-N 1 0 338.383 3.074 20 5 EGBDRO COC(=O)c1csc([C@@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000286363162 275987700 /nfs/dbraw/zinc/98/77/00/275987700.db2.gz ZGPSYCOSDLPDIE-LLVKDONJSA-N 1 0 334.397 3.336 20 5 EGBDRO CCOC1CC(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000286515247 276010543 /nfs/dbraw/zinc/01/05/43/276010543.db2.gz SCAORBMBQZUOIQ-UHFFFAOYSA-N 1 0 334.416 3.253 20 5 EGBDRO CC(C)c1ccc(C(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)cc1[N+](=O)[O-] ZINC000287315288 276107406 /nfs/dbraw/zinc/10/74/06/276107406.db2.gz UUOAUPNBTZREMU-PBHICJAKSA-N 1 0 345.443 3.417 20 5 EGBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000287359142 276111908 /nfs/dbraw/zinc/11/19/08/276111908.db2.gz WRGWLNNEKRNFQV-DOMZBBRYSA-N 1 0 343.383 3.040 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000289634184 276369567 /nfs/dbraw/zinc/36/95/67/276369567.db2.gz CIEGJTXFCTULOJ-MZBDJJRSSA-N 1 0 346.431 3.246 20 5 EGBDRO C[C@H]([NH2+]C[C@@]1(CO)C[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000289661723 276374069 /nfs/dbraw/zinc/37/40/69/276374069.db2.gz GTNQRKSFZYVZQG-GDIGMMSISA-N 1 0 326.396 3.412 20 5 EGBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000289847113 276405348 /nfs/dbraw/zinc/40/53/48/276405348.db2.gz XQZFUIWFLCGFEK-NSHDSACASA-N 1 0 340.811 3.244 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000289859756 276407627 /nfs/dbraw/zinc/40/76/27/276407627.db2.gz QXRAHLDXFFMTJT-CZUORRHYSA-N 1 0 346.431 3.248 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000289859750 276407641 /nfs/dbraw/zinc/40/76/41/276407641.db2.gz QXRAHLDXFFMTJT-BBRMVZONSA-N 1 0 346.431 3.248 20 5 EGBDRO CC[C@@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000177813992 276530945 /nfs/dbraw/zinc/53/09/45/276530945.db2.gz PFNPICJVPOIOCL-WMLDXEAASA-N 1 0 333.432 3.427 20 5 EGBDRO COc1cc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])cc2c1OCO2 ZINC000291746807 276685257 /nfs/dbraw/zinc/68/52/57/276685257.db2.gz PQGLCUSQSVZVRI-UHFFFAOYSA-N 1 0 344.367 3.357 20 5 EGBDRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000359324971 278255575 /nfs/dbraw/zinc/25/55/75/278255575.db2.gz BCIMRKWTLQMMDE-ZDUSSCGKSA-N 1 0 345.399 3.335 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000187264184 281008684 /nfs/dbraw/zinc/00/86/84/281008684.db2.gz ANUIHNDNGYOLFW-KBXCAEBGSA-N 1 0 341.411 3.324 20 5 EGBDRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000059982289 307350658 /nfs/dbraw/zinc/35/06/58/307350658.db2.gz WCPFSBUSTKQUSO-KBPBESRZSA-N 1 0 333.432 3.081 20 5 EGBDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000067724626 307367417 /nfs/dbraw/zinc/36/74/17/307367417.db2.gz BQQRNZYCLKVQSF-HNNXBMFYSA-N 1 0 348.447 3.049 20 5 EGBDRO CC[C@@H]1CCCC[C@H]1[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000118983881 307489178 /nfs/dbraw/zinc/48/91/78/307489178.db2.gz CGRSPSKXNLBWGW-UKRRQHHQSA-N 1 0 349.431 3.490 20 5 EGBDRO Cc1c([C@@H](C)[NH2+]CC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000119508372 307496638 /nfs/dbraw/zinc/49/66/38/307496638.db2.gz FBNSBFLQNNOSSQ-IJEWVQPXSA-N 1 0 349.475 3.442 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000120216442 307504544 /nfs/dbraw/zinc/50/45/44/307504544.db2.gz XHEASJFZNMBHNG-CYBMUJFWSA-N 1 0 336.436 3.309 20 5 EGBDRO CC[NH+](CC)[C@H]1CCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000127410164 307584404 /nfs/dbraw/zinc/58/44/04/307584404.db2.gz SRVLUUMPDPAIOK-AWEZNQCLSA-N 1 0 343.374 3.112 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCC(=O)NCc1ccccc1 ZINC000129247287 307612055 /nfs/dbraw/zinc/61/20/55/307612055.db2.gz VZJUEMGRYZYSKW-OAHLLOKOSA-N 1 0 341.411 3.260 20 5 EGBDRO C[C@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1cc2n(n1)CCC2 ZINC000414104606 309061155 /nfs/dbraw/zinc/06/11/55/309061155.db2.gz ZGZAXEPZMLZXSH-AWEZNQCLSA-N 1 0 328.416 3.411 20 5 EGBDRO COc1ccc([C@H](CO)C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000414181761 309065272 /nfs/dbraw/zinc/06/52/72/309065272.db2.gz MTVWXGMXJHKAIN-YOEHRIQHSA-N 1 0 344.411 3.339 20 5 EGBDRO COc1ccc([C@@H](CO)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000414196757 309066264 /nfs/dbraw/zinc/06/62/64/309066264.db2.gz WBUIMHXZWRUNKA-GDBMZVCRSA-N 1 0 344.411 3.339 20 5 EGBDRO CO[C@@](C)([C@@H](C)[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000414219634 309067220 /nfs/dbraw/zinc/06/72/20/309067220.db2.gz AZZNVHFYNGXTBR-JCGVRSQUSA-N 1 0 349.431 3.105 20 5 EGBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H](C)CC(F)(F)F ZINC000414279961 309070252 /nfs/dbraw/zinc/07/02/52/309070252.db2.gz KHDGWKAHLNOMPX-WDEREUQCSA-N 1 0 347.337 3.490 20 5 EGBDRO COCC1CCC([NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000414317806 309072625 /nfs/dbraw/zinc/07/26/25/309072625.db2.gz WLLWNOYUKLJVMY-WLYUNCDWSA-N 1 0 349.431 3.107 20 5 EGBDRO Cc1noc(C)c1CC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000166186346 307930524 /nfs/dbraw/zinc/93/05/24/307930524.db2.gz LUFVJMDVPCSSCA-UHFFFAOYSA-N 1 0 345.399 3.286 20 5 EGBDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000255132643 308041476 /nfs/dbraw/zinc/04/14/76/308041476.db2.gz FBUQDUQXCNPVEW-VSKPTYQZSA-N 1 0 333.432 3.235 20 5 EGBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000255305220 308045952 /nfs/dbraw/zinc/04/59/52/308045952.db2.gz WGNXHOUODPATSU-JEZWAEDTSA-N 1 0 343.427 3.085 20 5 EGBDRO Cc1ccc(C[NH2+][C@@H](c2cccnc2)C(C)(C)CO)cc1[N+](=O)[O-] ZINC000293574392 308143274 /nfs/dbraw/zinc/14/32/74/308143274.db2.gz HFLFJQFIUHBMEF-KRWDZBQOSA-N 1 0 329.400 3.148 20 5 EGBDRO CCC[C@H](C)C(=O)NCC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000293848034 308167565 /nfs/dbraw/zinc/16/75/65/308167565.db2.gz YEAUMPDMAVPERK-WMLDXEAASA-N 1 0 347.459 3.058 20 5 EGBDRO C[N@H+](CCCn1ccnc1)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293932947 308175132 /nfs/dbraw/zinc/17/51/32/308175132.db2.gz YZBVGFKREXRARN-UHFFFAOYSA-N 1 0 342.321 3.332 20 5 EGBDRO C[C@@H](CCCO)C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000294805618 308259147 /nfs/dbraw/zinc/25/91/47/308259147.db2.gz NJTURAQIMFPYLA-LBPRGKRZSA-N 1 0 335.429 3.217 20 5 EGBDRO CCc1ccc(C(=O)N2CC(C)(C)[C@H]2c2nccn2C)cc1[N+](=O)[O-] ZINC000295360189 308318359 /nfs/dbraw/zinc/31/83/59/308318359.db2.gz CJURGJRILXDQFK-OAHLLOKOSA-N 1 0 342.399 3.114 20 5 EGBDRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000414659031 309094123 /nfs/dbraw/zinc/09/41/23/309094123.db2.gz MIDJSFGKQGCDLE-INIZCTEOSA-N 1 0 342.399 3.287 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(CN3CCC[C@H]4C[NH2+]C[C@H]43)o2)cc1 ZINC000414783326 309100808 /nfs/dbraw/zinc/10/08/08/309100808.db2.gz PXOMRZPJEMADNI-WMLDXEAASA-N 1 0 327.384 3.039 20 5 EGBDRO CC1CC[NH+](C[C@H]2CCCN(C(=O)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000299501768 308677260 /nfs/dbraw/zinc/67/72/60/308677260.db2.gz QQPJFGOJYVVIOF-MRXNPFEDSA-N 1 0 345.443 3.179 20 5 EGBDRO C[NH+](C)[C@@H](CNc1ncc([N+](=O)[O-])cc1Cl)c1cccc(F)c1 ZINC000301293274 308695287 /nfs/dbraw/zinc/69/52/87/308695287.db2.gz VVWKCUFZVXSSLT-AWEZNQCLSA-N 1 0 338.770 3.497 20 5 EGBDRO Cc1cc(N2CC[C@H]3OCCC[C@H]3C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302065988 308727897 /nfs/dbraw/zinc/72/78/97/308727897.db2.gz FCJBNAGZZKSXMP-SCLBCKFNSA-N 1 0 327.384 3.457 20 5 EGBDRO C[C@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CCC[NH2+]C1 ZINC000414842291 309105053 /nfs/dbraw/zinc/10/50/53/309105053.db2.gz BDMFULMEWBLNFM-DZGCQCFKSA-N 1 0 329.400 3.333 20 5 EGBDRO C[NH+](C)Cc1ccc(CNc2c3c(ccc2[N+](=O)[O-])NCC3)cc1F ZINC000302910879 308750303 /nfs/dbraw/zinc/75/03/03/308750303.db2.gz ZIOVXGREMZEYKD-UHFFFAOYSA-N 1 0 344.390 3.376 20 5 EGBDRO CC(C)C[C@@H](CO)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000304011382 308756035 /nfs/dbraw/zinc/75/60/35/308756035.db2.gz BPZXCGNYYQFZHM-ZDUSSCGKSA-N 1 0 335.429 3.215 20 5 EGBDRO Cc1c(C[NH2+]C2CCN(C(=O)CC(C)(C)C)CC2)cccc1[N+](=O)[O-] ZINC000331090701 308801843 /nfs/dbraw/zinc/80/18/43/308801843.db2.gz VYWSDWBVKMZKCE-UHFFFAOYSA-N 1 0 347.459 3.420 20 5 EGBDRO Cc1ccc(NC(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000331428686 308806602 /nfs/dbraw/zinc/80/66/02/308806602.db2.gz RBFJIHOKPJZPKR-ZBFHGGJFSA-N 1 0 346.431 3.289 20 5 EGBDRO C[C@@H]1CCC[N@H+](CCNc2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000413063732 309014248 /nfs/dbraw/zinc/01/42/48/309014248.db2.gz SMYDWPJVWKLZQV-SNVBAGLBSA-N 1 0 332.326 3.152 20 5 EGBDRO O=[N+]([O-])c1cnc(N2CCC[C@H]([NH+]3CCCC3)C2)c(C(F)(F)F)c1 ZINC000413069899 309014624 /nfs/dbraw/zinc/01/46/24/309014624.db2.gz ZGNZJIAGUWZVHR-NSHDSACASA-N 1 0 344.337 3.073 20 5 EGBDRO COCCC[NH+]1CCC(Nc2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413108208 309016594 /nfs/dbraw/zinc/01/65/94/309016594.db2.gz DMEBUKLGYIOMQO-UHFFFAOYSA-N 1 0 344.415 3.056 20 5 EGBDRO O=[N+]([O-])c1cnc(NC[C@H]2CC[N@H+](CCc3ccccc3)C2)c(F)c1 ZINC000413121858 309017174 /nfs/dbraw/zinc/01/71/74/309017174.db2.gz XMQLGVFWUBVWRT-OAHLLOKOSA-N 1 0 344.390 3.105 20 5 EGBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1ccc([N+](=O)[O-])c2ncccc12 ZINC000413276670 309024805 /nfs/dbraw/zinc/02/48/05/309024805.db2.gz CTBWOBQHRSPGHO-KGLIPLIRSA-N 1 0 326.400 3.206 20 5 EGBDRO C[N@H+](CCCCNc1ncc(Br)cc1[N+](=O)[O-])C1CC1 ZINC000413349521 309028091 /nfs/dbraw/zinc/02/80/91/309028091.db2.gz SJPWSRSVNQRNOS-UHFFFAOYSA-N 1 0 343.225 3.039 20 5 EGBDRO CCc1nn(C)cc1C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417314581 309201379 /nfs/dbraw/zinc/20/13/79/309201379.db2.gz RKVGQNFKJMYBCO-GOSISDBHSA-N 1 0 328.416 3.448 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCCOC[C@H]1CCOC1)CCCC2 ZINC000417318634 309201501 /nfs/dbraw/zinc/20/15/01/309201501.db2.gz ZGZHYQKTKIKJCI-DNVCBOLYSA-N 1 0 348.443 3.395 20 5 EGBDRO Cc1ccc(CC(C)(C)[NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000419336590 309264946 /nfs/dbraw/zinc/26/49/46/309264946.db2.gz PSCSJLSVEJPEGZ-UHFFFAOYSA-N 1 0 341.411 3.453 20 5 EGBDRO Cc1cc(N2CCC[C@@H](CCO)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000420647874 309291520 /nfs/dbraw/zinc/29/15/20/309291520.db2.gz YCUJWVYQGINRTO-CQSZACIVSA-N 1 0 329.400 3.440 20 5 EGBDRO CN(Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C[C@@H]1CCC[N@@H+]1C ZINC000421414221 309323692 /nfs/dbraw/zinc/32/36/92/309323692.db2.gz YXIZVTSSFOKWTI-AWEZNQCLSA-N 1 0 329.400 3.381 20 5 EGBDRO CCN(CCC[NH+]1CCCC1)C(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000421869222 309344364 /nfs/dbraw/zinc/34/43/64/309344364.db2.gz JADVGYKPPCFJNK-UHFFFAOYSA-N 1 0 333.432 3.160 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000422886252 309374059 /nfs/dbraw/zinc/37/40/59/309374059.db2.gz IMTLQUKKWYXBEQ-ZDUSSCGKSA-N 1 0 327.384 3.161 20 5 EGBDRO C[NH2+]CCCN(C)C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000424031503 309426199 /nfs/dbraw/zinc/42/61/99/309426199.db2.gz JGOVGRIRZIAAOI-UHFFFAOYSA-N 1 0 343.383 3.069 20 5 EGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC(=O)Nc1cccc(F)c1 ZINC000425382456 309477520 /nfs/dbraw/zinc/47/75/20/309477520.db2.gz NYUUZTKPNPICQX-ZDUSSCGKSA-N 1 0 345.374 3.283 20 5 EGBDRO CC[C@H]([NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000425430862 309480060 /nfs/dbraw/zinc/48/00/60/309480060.db2.gz GRSSQYHMJWWSPP-GXTWGEPZSA-N 1 0 343.221 3.405 20 5 EGBDRO C[C@H]([NH2+]Cc1cc2ccccc2n(C)c1=O)c1ccc([N+](=O)[O-])cc1 ZINC000426295511 309503701 /nfs/dbraw/zinc/50/37/01/309503701.db2.gz ZAZUSNABUYOSSP-ZDUSSCGKSA-N 1 0 337.379 3.298 20 5 EGBDRO Cc1ccc(CC2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)cc1C ZINC000428718860 309559835 /nfs/dbraw/zinc/55/98/35/309559835.db2.gz NYRPMJWJDWWPIL-UHFFFAOYSA-N 1 0 342.443 3.363 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1CN1CCC[C@H]1C[NH+]1CCCCC1 ZINC000430208230 309601580 /nfs/dbraw/zinc/60/15/80/309601580.db2.gz AWQBECUKWQJYAD-KRWDZBQOSA-N 1 0 333.432 3.054 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC([NH2+]CC2CC2)CC1 ZINC000430557555 309610708 /nfs/dbraw/zinc/61/07/08/309610708.db2.gz SOHWNGOSYBTDED-UHFFFAOYSA-N 1 0 347.459 3.346 20 5 EGBDRO O=[N+]([O-])c1ccc(NCC2CC[NH+](C3CC3)CC2)c(OC(F)F)c1 ZINC000444878492 309932620 /nfs/dbraw/zinc/93/26/20/309932620.db2.gz WRUHYXXQCCMHFI-UHFFFAOYSA-N 1 0 341.358 3.483 20 5 EGBDRO CCOc1cccc(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000447526429 309980882 /nfs/dbraw/zinc/98/08/82/309980882.db2.gz BKRHCINAUINPSS-IAGOWNOFSA-N 1 0 344.415 3.464 20 5 EGBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCOc2ccc(F)cc2)n1 ZINC000447539613 309981313 /nfs/dbraw/zinc/98/13/13/309981313.db2.gz HGSSQLZDLPJVMH-HOTGVXAUSA-N 1 0 348.378 3.083 20 5 EGBDRO CO[C@@H](C)c1nc(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])cs1 ZINC000449177185 310042535 /nfs/dbraw/zinc/04/25/35/310042535.db2.gz OUZBUYUHTSQQSI-RYUDHWBXSA-N 1 0 335.429 3.480 20 5 EGBDRO COc1ccc2c(c1)OC[C@@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])C2 ZINC000449212240 310044916 /nfs/dbraw/zinc/04/49/16/310044916.db2.gz ZLZGCQLENMGKFU-BBRMVZONSA-N 1 0 342.395 3.128 20 5 EGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](O)CCc1ccccc1 ZINC000449238373 310046811 /nfs/dbraw/zinc/04/68/11/310046811.db2.gz GDAHUDMSSQNNCU-MAUKXSAKSA-N 1 0 328.412 3.109 20 5 EGBDRO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])C12CCOCC2 ZINC000449251969 310047527 /nfs/dbraw/zinc/04/75/27/310047527.db2.gz TUEDWFSNLVIKTQ-ZTFGCOKTSA-N 1 0 348.443 3.090 20 5 EGBDRO COc1ccc(C[N@@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)cc1[N+](=O)[O-] ZINC000449515666 310068696 /nfs/dbraw/zinc/06/86/96/310068696.db2.gz AQVJSNWZMVEJQA-CVEARBPZSA-N 1 0 346.427 3.385 20 5 EGBDRO CC[C@@H]([NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1)[C@H](C)O ZINC000449534616 310069800 /nfs/dbraw/zinc/06/98/00/310069800.db2.gz CMWRVFLMAVUSLT-XHDPSFHLSA-N 1 0 334.372 3.112 20 5 EGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCO[C@@H](c2cccnc2)C1 ZINC000449540431 310070329 /nfs/dbraw/zinc/07/03/29/310070329.db2.gz XTMSMIASGMHTMZ-DKSSEZFCSA-N 1 0 341.411 3.431 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000449588008 310074150 /nfs/dbraw/zinc/07/41/50/310074150.db2.gz KAMZPBOUUHVKKZ-ITQYTPKQSA-N 1 0 332.444 3.447 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000449588010 310074167 /nfs/dbraw/zinc/07/41/67/310074167.db2.gz KAMZPBOUUHVKKZ-PCODUJHASA-N 1 0 332.444 3.447 20 5 EGBDRO COc1cccnc1C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000449745641 310083985 /nfs/dbraw/zinc/08/39/85/310083985.db2.gz CQHXDTMZZGMNGH-ZBFHGGJFSA-N 1 0 341.411 3.499 20 5 EGBDRO COc1cccnc1C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000449745639 310083990 /nfs/dbraw/zinc/08/39/90/310083990.db2.gz CQHXDTMZZGMNGH-GOEBONIOSA-N 1 0 341.411 3.499 20 5 EGBDRO COC(=O)Cc1ccc(NCCC[NH2+]C2CCCCC2)c([N+](=O)[O-])c1 ZINC000450248110 310110816 /nfs/dbraw/zinc/11/08/16/310110816.db2.gz PVODRPZGBCXOOA-UHFFFAOYSA-N 1 0 349.431 3.035 20 5 EGBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000450415452 310121080 /nfs/dbraw/zinc/12/10/80/310121080.db2.gz BHUJRMCURQVXKM-NWDGAFQWSA-N 1 0 332.429 3.247 20 5 EGBDRO Cc1ccccc1[C@H]([C@H](C)Nc1ncc([N+](=O)[O-])c(C)n1)[NH+](C)C ZINC000450537342 310128827 /nfs/dbraw/zinc/12/88/27/310128827.db2.gz XADGBPOHCRLMNX-BBRMVZONSA-N 1 0 329.404 3.105 20 5 EGBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(c2nccc3cc([N+](=O)[O-])ccc32)C[C@@H](C)C1 ZINC000450540981 310128899 /nfs/dbraw/zinc/12/88/99/310128899.db2.gz PQPFUTOWWSZWLT-PMUMKWKESA-N 1 0 340.427 3.310 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000450860919 310146404 /nfs/dbraw/zinc/14/64/04/310146404.db2.gz NFGOEOQAFFXKLL-OIISXLGYSA-N 1 0 332.400 3.041 20 5 EGBDRO CCOc1cc(C[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)ccc1[N+](=O)[O-] ZINC000451418295 310177330 /nfs/dbraw/zinc/17/73/30/310177330.db2.gz IZVWDTVUGYCKER-BFYDXBDKSA-N 1 0 334.416 3.119 20 5 EGBDRO CO[C@H]1C[C@@H]([NH2+]Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1(C)C ZINC000451485892 310180644 /nfs/dbraw/zinc/18/06/44/310180644.db2.gz DFTWUIZAYFYLPZ-CABCVRRESA-N 1 0 331.372 3.153 20 5 EGBDRO NC(=O)[C@@H](c1ccccc1)[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451543753 310184524 /nfs/dbraw/zinc/18/45/24/310184524.db2.gz CMUDPALWEMIAKA-FUHWJXTLSA-N 1 0 339.395 3.001 20 5 EGBDRO Cc1cc(C)n(CC[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000451546403 310184907 /nfs/dbraw/zinc/18/49/07/310184907.db2.gz JFXHMVCWMVRWIB-KRWDZBQOSA-N 1 0 328.416 3.288 20 5 EGBDRO CC(C)N1CCC[C@H]([N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1=O ZINC000451551784 310185512 /nfs/dbraw/zinc/18/55/12/310185512.db2.gz VIMFUKDBOLWAHD-AEFFLSMTSA-N 1 0 345.443 3.174 20 5 EGBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@]2(CCSC2)C1 ZINC000451982672 310206451 /nfs/dbraw/zinc/20/64/51/310206451.db2.gz TYMIAHDBHJTQKQ-SUMWQHHRSA-N 1 0 349.456 3.141 20 5 EGBDRO COc1ccc2c(c1)C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)CO2 ZINC000453063627 310255425 /nfs/dbraw/zinc/25/54/25/310255425.db2.gz FBDHJYVXMDCXDN-WFASDCNBSA-N 1 0 328.368 3.258 20 5 EGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1(C(=O)Nc2ccccc2)CC1 ZINC000453198336 310263469 /nfs/dbraw/zinc/26/34/69/310263469.db2.gz NXNJZKQFJIDXQX-AWEZNQCLSA-N 1 0 339.395 3.287 20 5 EGBDRO Cc1c([C@H](C)[NH2+][C@H]2CCO[C@@H](c3nccn3C)C2)cccc1[N+](=O)[O-] ZINC000453392348 310274578 /nfs/dbraw/zinc/27/45/78/310274578.db2.gz HWZOHDAHRCKWDB-GRDNDAEWSA-N 1 0 344.415 3.208 20 5 EGBDRO Cc1ccc([C@H](C)NC(=O)NCCCC[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000454607776 310319698 /nfs/dbraw/zinc/31/96/98/310319698.db2.gz KQMNEJICMBRPTB-AWEZNQCLSA-N 1 0 348.447 3.138 20 5 EGBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@H+](CC)C[C@H]1CC ZINC000456341598 310399624 /nfs/dbraw/zinc/39/96/24/310399624.db2.gz BCVRNNUXUBUHMJ-IAGOWNOFSA-N 1 0 347.459 3.106 20 5 EGBDRO O=[N+]([O-])c1cccnc1N1CC[NH+]([C@@H]2CCCc3ccccc32)CC1 ZINC000459499453 310556844 /nfs/dbraw/zinc/55/68/44/310556844.db2.gz AYJWODXOOKNLBX-QGZVFWFLSA-N 1 0 338.411 3.189 20 5 EGBDRO CCCC[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000460357634 310582512 /nfs/dbraw/zinc/58/25/12/310582512.db2.gz UTGKZRSFEOYMDH-UKRRQHHQSA-N 1 0 349.431 3.490 20 5 EGBDRO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000462863946 310606912 /nfs/dbraw/zinc/60/69/12/310606912.db2.gz QYSGHIDZLGPNHP-MRXNPFEDSA-N 1 0 340.427 3.217 20 5 EGBDRO CC1(c2cccc(Cl)c2)CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000483226495 310945215 /nfs/dbraw/zinc/94/52/15/310945215.db2.gz ACLITGZQZLJPNE-UHFFFAOYSA-N 1 0 348.834 3.498 20 5 EGBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)C[C@@H](C)C1 ZINC000488727139 311076781 /nfs/dbraw/zinc/07/67/81/311076781.db2.gz ATYCFVRBPMZCES-DEYYWGMASA-N 1 0 340.427 3.310 20 5 EGBDRO C[C@H]1CCCC[C@@H]1NC(=O)CN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000490197543 311135485 /nfs/dbraw/zinc/13/54/85/311135485.db2.gz BLVJNWLOEACINP-KSSFIOAISA-N 1 0 345.443 3.254 20 5 EGBDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000491944513 311201142 /nfs/dbraw/zinc/20/11/42/311201142.db2.gz CLFJZPAIBGBVCJ-DZFYGRHCSA-N 1 0 349.406 3.080 20 5 EGBDRO COC(=O)[C@H]1CCCC[C@]1(C)[NH2+]Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000492175122 311223949 /nfs/dbraw/zinc/22/39/49/311223949.db2.gz GACZNWJYHAZLST-WBMJQRKESA-N 1 0 340.807 3.460 20 5 EGBDRO CCOC(=O)N1CCC([NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000492306560 311236205 /nfs/dbraw/zinc/23/62/05/311236205.db2.gz HDNDEEBNVBROPW-SDNWHVSQSA-N 1 0 347.415 3.209 20 5 EGBDRO COC(=O)N1CCC([C@H](C)[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000492572973 311266714 /nfs/dbraw/zinc/26/67/14/311266714.db2.gz SCJMFIXNAGNVOP-VSKVDJIOSA-N 1 0 347.415 3.065 20 5 EGBDRO CCCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000492817595 311294713 /nfs/dbraw/zinc/29/47/13/311294713.db2.gz LGWNCBQUWLXWQQ-HFTRVMKXSA-N 1 0 336.432 3.283 20 5 EGBDRO C[NH+](C)Cc1ccccc1NC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000492882133 311302804 /nfs/dbraw/zinc/30/28/04/311302804.db2.gz SQEBQYSXTXKSSB-VAWYXSNFSA-N 1 0 325.368 3.308 20 5 EGBDRO COC(=O)N1CCC([NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000496050550 311654174 /nfs/dbraw/zinc/65/41/74/311654174.db2.gz ZYRSIZSSGZVMIY-QGZVFWFLSA-N 1 0 347.415 3.183 20 5 EGBDRO COC(=O)N1CCC[C@H]([C@H](C)[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000496128815 311665970 /nfs/dbraw/zinc/66/59/70/311665970.db2.gz ZKOUTOCAYFNPFE-HEHGZKQESA-N 1 0 347.415 3.039 20 5 EGBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@H](COc3ccccc3)C2)cc1 ZINC000505845362 312036456 /nfs/dbraw/zinc/03/64/56/312036456.db2.gz LTAJGONPIFUBMX-INIZCTEOSA-N 1 0 342.395 3.375 20 5 EGBDRO Cc1ccc(NC(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000510354102 312138722 /nfs/dbraw/zinc/13/87/22/312138722.db2.gz YUICPEHRSABBDT-VNHYZAJKSA-N 1 0 348.447 3.391 20 5 EGBDRO CC[C@@H]1CCCCN1C(=O)[C@H](C)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000511140136 312155456 /nfs/dbraw/zinc/15/54/56/312155456.db2.gz SIAOOFZJMBNRDD-DOTOQJQBSA-N 1 0 347.459 3.249 20 5 EGBDRO CC(C)(C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000515166665 312268840 /nfs/dbraw/zinc/26/88/40/312268840.db2.gz ZCFFFLGZFAJZTA-OAHLLOKOSA-N 1 0 336.432 3.141 20 5 EGBDRO CC[NH+](CC)CCS[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000083093142 453938471 /nfs/dbraw/zinc/93/84/71/453938471.db2.gz ZFUBOSVZZOJAKV-CYBMUJFWSA-N 1 0 339.461 3.305 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H](N3CCCC3=O)C2)cc1[N+](=O)[O-] ZINC000517246685 312371792 /nfs/dbraw/zinc/37/17/92/312371792.db2.gz FBFDYBJXIFNULA-USXIJHARSA-N 1 0 345.443 3.487 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCc2cnccn2)s1 ZINC000525995718 312778917 /nfs/dbraw/zinc/77/89/17/312778917.db2.gz RFXWOZFOITVQTP-UHFFFAOYSA-N 1 0 340.408 3.446 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCN(CC(F)(F)F)C1 ZINC000526046501 312786556 /nfs/dbraw/zinc/78/65/56/312786556.db2.gz TYOMAXNCESVVDH-WEKMIXOTSA-N 1 0 343.349 3.224 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](CO)Cc1ccco1 ZINC000530341887 313521534 /nfs/dbraw/zinc/52/15/34/313521534.db2.gz WATITCQQYAQONB-WPMUKRGUSA-N 1 0 330.384 3.032 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CCC(CCO)CC2)o1 ZINC000535782258 314074132 /nfs/dbraw/zinc/07/41/32/314074132.db2.gz PHYLDJSJXJLXLB-UHFFFAOYSA-N 1 0 330.384 3.449 20 5 EGBDRO CC[C@H]1CC[C@@H](C)[N@@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000536745065 314142870 /nfs/dbraw/zinc/14/28/70/314142870.db2.gz CUTKZKAPXYFLAT-PWSUYJOCSA-N 1 0 325.796 3.450 20 5 EGBDRO COC(=O)CCC1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000537628015 314197699 /nfs/dbraw/zinc/19/76/99/314197699.db2.gz ZNQIOWWFTDFGEA-XQRVVYSFSA-N 1 0 332.400 3.273 20 5 EGBDRO Cc1ccc(NC(=O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c(F)c1 ZINC000538174468 314231166 /nfs/dbraw/zinc/23/11/66/314231166.db2.gz AMJXGPHXMNVOSX-LBPRGKRZSA-N 1 0 331.347 3.332 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC(=O)N(C)C1CCCCC1 ZINC000539055646 314293262 /nfs/dbraw/zinc/29/32/62/314293262.db2.gz YSDQUQOTUVOFCI-AWEZNQCLSA-N 1 0 333.432 3.345 20 5 EGBDRO CC(C)[C@@H](CO)[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000539513636 314318670 /nfs/dbraw/zinc/31/86/70/314318670.db2.gz SQJOSQGKONZDRG-QGZVFWFLSA-N 1 0 343.427 3.469 20 5 EGBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CCCCS1 ZINC000541556448 314468508 /nfs/dbraw/zinc/46/85/08/314468508.db2.gz IZTGUEVLVCHVHW-IUODEOHRSA-N 1 0 337.445 3.187 20 5 EGBDRO COC(=O)C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)C1CCCCC1 ZINC000541600408 314473565 /nfs/dbraw/zinc/47/35/65/314473565.db2.gz GPXJYXGSNREHIM-INIZCTEOSA-N 1 0 338.379 3.336 20 5 EGBDRO CC(C)n1cc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cn1 ZINC000542575022 314560377 /nfs/dbraw/zinc/56/03/77/314560377.db2.gz YHQMINMZGNKRFS-QWHCGFSZSA-N 1 0 345.403 3.050 20 5 EGBDRO Cc1cc(NCC[C@@H]2CCO[C@H](C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000543208649 314614084 /nfs/dbraw/zinc/61/40/84/314614084.db2.gz REBFGMXQLMHXPR-ZIAGYGMSSA-N 1 0 329.400 3.490 20 5 EGBDRO CCOc1ccc(NC(=O)C[N@H+](C)[C@H]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000548730524 315040858 /nfs/dbraw/zinc/04/08/58/315040858.db2.gz HIDPPXURAYZVTM-BBRMVZONSA-N 1 0 349.431 3.443 20 5 EGBDRO CCCC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CCC[C@H](C)C1 ZINC000550379834 315126330 /nfs/dbraw/zinc/12/63/30/315126330.db2.gz FJYUIXNPSXFAAB-HOTGVXAUSA-N 1 0 335.448 3.437 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](CO)Cc1ccc(F)cc1 ZINC000552923048 315237833 /nfs/dbraw/zinc/23/78/33/315237833.db2.gz FYLHTHZZFWUQGK-CJNGLKHVSA-N 1 0 332.375 3.297 20 5 EGBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](CC)Cc1ccc([N+](=O)[O-])cc1 ZINC000553696871 315277095 /nfs/dbraw/zinc/27/70/95/315277095.db2.gz XZLUVNYASVJAIU-WMZOPIPTSA-N 1 0 347.459 3.154 20 5 EGBDRO O=[N+]([O-])c1cccc(CN2CCN(c3cc[nH+]c4ccccc43)CC2)c1 ZINC000554225037 315303676 /nfs/dbraw/zinc/30/36/76/315303676.db2.gz SVRZENUXQRBGRK-UHFFFAOYSA-N 1 0 348.406 3.465 20 5 EGBDRO CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000554599986 315337756 /nfs/dbraw/zinc/33/77/56/315337756.db2.gz PTRPCCNDQIPPDK-AWEZNQCLSA-N 1 0 344.415 3.023 20 5 EGBDRO COc1cccc(OCC[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000554845690 315352166 /nfs/dbraw/zinc/35/21/66/315352166.db2.gz DWDODAKQHQKKBH-UHFFFAOYSA-N 1 0 330.384 3.157 20 5 EGBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000555312033 315378386 /nfs/dbraw/zinc/37/83/86/315378386.db2.gz ASXDPANLGHRNJM-GOEBONIOSA-N 1 0 333.432 3.079 20 5 EGBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000555312030 315378453 /nfs/dbraw/zinc/37/84/53/315378453.db2.gz ASXDPANLGHRNJM-GDBMZVCRSA-N 1 0 333.432 3.079 20 5 EGBDRO C[C@H](C(=O)NC[C@H](C1CCCCC1)[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000562926713 315922542 /nfs/dbraw/zinc/92/25/42/315922542.db2.gz UXDWDSKKJJRNLH-KBXCAEBGSA-N 1 0 347.459 3.325 20 5 EGBDRO CN1CCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1(C)C ZINC000565387411 316317231 /nfs/dbraw/zinc/31/72/31/316317231.db2.gz WDFSPAPZLNEAID-UHFFFAOYSA-N 1 0 333.432 3.059 20 5 EGBDRO Cc1cnc(N2CCN(c3cc[nH+]c4ccccc43)CC2)c([N+](=O)[O-])c1 ZINC000567171618 316578599 /nfs/dbraw/zinc/57/85/99/316578599.db2.gz LDFSKBXUHZTPGS-UHFFFAOYSA-N 1 0 349.394 3.173 20 5 EGBDRO CC[C@H]1C[N@H+](C)CCN1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000570066875 317003516 /nfs/dbraw/zinc/00/35/16/317003516.db2.gz JHFZMCGKFHQSCM-HNNXBMFYSA-N 1 0 329.400 3.381 20 5 EGBDRO CC(C)(C)[C@@H]1C[C@@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000570626047 317083603 /nfs/dbraw/zinc/08/36/03/317083603.db2.gz XLKJBCYAAWASRF-BBRMVZONSA-N 1 0 349.431 3.107 20 5 EGBDRO Cc1cnccc1CC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000572031756 317281670 /nfs/dbraw/zinc/28/16/70/317281670.db2.gz VCHIXLXFKDTDFA-UHFFFAOYSA-N 1 0 341.411 3.384 20 5 EGBDRO O=C(CC[NH2+]C[C@@H]1CCCCC1(F)F)Nc1ccccc1[N+](=O)[O-] ZINC000572632013 317367300 /nfs/dbraw/zinc/36/73/00/317367300.db2.gz PKHMJRJQIIMASZ-LBPRGKRZSA-N 1 0 341.358 3.339 20 5 EGBDRO Cc1ccc(NC(=O)CN(C)CCc2cccc([N+](=O)[O-])c2)cc1F ZINC000572728514 317383066 /nfs/dbraw/zinc/38/30/66/317383066.db2.gz SFOJWLKIFXSJMS-UHFFFAOYSA-N 1 0 345.374 3.155 20 5 EGBDRO O=C1CCCN1[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000573935823 317544958 /nfs/dbraw/zinc/54/49/58/317544958.db2.gz RETIFNDAWZMBPD-CKEIUWERSA-N 1 0 343.427 3.105 20 5 EGBDRO CCSCC[C@H](C)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000194056248 455796481 /nfs/dbraw/zinc/79/64/81/455796481.db2.gz TYVGIKSPPNBWKC-NSHDSACASA-N 1 0 327.406 3.467 20 5 EGBDRO CC(C)[C@@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000023677983 323213276 /nfs/dbraw/zinc/21/32/76/323213276.db2.gz XNRYITIAGLVBBN-IEBWSBKVSA-N 1 0 344.411 3.321 20 5 EGBDRO C[C@@H]([NH2+]CC(=O)NCCC1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000180446737 323440495 /nfs/dbraw/zinc/44/04/95/323440495.db2.gz BPVGZHZUOJRBJU-CQSZACIVSA-N 1 0 333.432 3.332 20 5 EGBDRO C[C@H](CCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000183112702 323596191 /nfs/dbraw/zinc/59/61/91/323596191.db2.gz RJGUQGSGNVTICK-GFCCVEGCSA-N 1 0 339.823 3.243 20 5 EGBDRO O=[N+]([O-])c1ccccc1OCc1cccc(CN2CCOCC2)c1 ZINC000421178785 324312106 /nfs/dbraw/zinc/31/21/06/324312106.db2.gz CUHBGSDEPPYNHJ-UHFFFAOYSA-N 1 0 328.368 3.006 20 5 EGBDRO Cc1[nH+]cc2n1CC[C@H](c1nc(-c3ccc([N+](=O)[O-])cc3C)no1)C2 ZINC000579059350 325054917 /nfs/dbraw/zinc/05/49/17/325054917.db2.gz HFRKTMUZLLVYBF-LBPRGKRZSA-N 1 0 339.355 3.188 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000579118572 325065547 /nfs/dbraw/zinc/06/55/47/325065547.db2.gz CYLPPULIODJJBT-PBHICJAKSA-N 1 0 334.416 3.385 20 5 EGBDRO C[C@@H](C(=O)Nc1cccc(C[NH+](C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000581347270 325353220 /nfs/dbraw/zinc/35/32/20/325353220.db2.gz KWLUBXYWYJMNDV-CYBMUJFWSA-N 1 0 327.384 3.399 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000582395055 325437560 /nfs/dbraw/zinc/43/75/60/325437560.db2.gz NDDVNBASDUBDPD-HUUCEWRRSA-N 1 0 339.395 3.359 20 5 EGBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H](O)CC(F)(F)F)cc(C(F)(F)F)c1 ZINC000583377096 325518644 /nfs/dbraw/zinc/51/86/44/325518644.db2.gz YSFNXWZCIOMADO-JTQLQIEISA-N 1 0 346.227 3.017 20 5 EGBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000291537116 456671652 /nfs/dbraw/zinc/67/16/52/456671652.db2.gz LJQXDDFWGZLRIT-LLVKDONJSA-N 1 0 327.812 3.098 20 5 EGBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)c1 ZINC000173053630 455225424 /nfs/dbraw/zinc/22/54/24/455225424.db2.gz CDGKCPXZBUQYNN-LLVKDONJSA-N 1 0 339.461 3.023 20 5 EGBDRO C[C@@H]([NH2+]CCc1cc(F)cc2c1OCOC2)c1cccc([N+](=O)[O-])c1 ZINC000173384411 455276372 /nfs/dbraw/zinc/27/63/72/455276372.db2.gz ASBHQKDDYXSHDD-GFCCVEGCSA-N 1 0 346.358 3.494 20 5 EGBDRO C[N@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000003348260 452761292 /nfs/dbraw/zinc/76/12/92/452761292.db2.gz SCRLMWMGUXIYQZ-UHFFFAOYSA-N 1 0 325.796 3.451 20 5 EGBDRO O=[N+]([O-])c1ccc(CN2CCC[N@H+](Cc3ccc(F)cc3)CC2)cc1 ZINC000011606171 453327330 /nfs/dbraw/zinc/32/73/30/453327330.db2.gz CGWWLWLTTSBJLE-UHFFFAOYSA-N 1 0 343.402 3.442 20 5 EGBDRO CCn1ccc(C[N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 ZINC000616785308 460618172 /nfs/dbraw/zinc/61/81/72/460618172.db2.gz MUHBMHLKVSSTEO-UHFFFAOYSA-N 1 0 344.415 3.185 20 5 EGBDRO CC(C)[N@@H+](Cc1ccccc1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000027234264 453813531 /nfs/dbraw/zinc/81/35/31/453813531.db2.gz HTJUTXHDNKCFTO-GOSISDBHSA-N 1 0 344.411 3.245 20 5 EGBDRO O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000029177298 453827076 /nfs/dbraw/zinc/82/70/76/453827076.db2.gz FNTKIJJBXOGMMK-GOSISDBHSA-N 1 0 339.395 3.162 20 5 EGBDRO CC1CC[NH+]([C@H](CNc2c([N+](=O)[O-])ncn2C)c2cccs2)CC1 ZINC000029845885 453831932 /nfs/dbraw/zinc/83/19/32/453831932.db2.gz JPVWPKYXJVBUQH-CYBMUJFWSA-N 1 0 349.460 3.275 20 5 EGBDRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC000031987828 453860764 /nfs/dbraw/zinc/86/07/64/453860764.db2.gz XDXYQIRLBQEWST-INIZCTEOSA-N 1 0 347.440 3.469 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCC4(CCCC4)C3)n2)c1 ZINC000174277025 455375688 /nfs/dbraw/zinc/37/56/88/455375688.db2.gz GSPWVILKZYCEPZ-UHFFFAOYSA-N 1 0 328.372 3.411 20 5 EGBDRO Cc1c(NC(=O)CC[NH2+][C@@H](C)c2nccs2)cccc1[N+](=O)[O-] ZINC000184397159 455376593 /nfs/dbraw/zinc/37/65/93/455376593.db2.gz VVIBSUMNNFCCCQ-NSHDSACASA-N 1 0 334.401 3.039 20 5 EGBDRO CCC1CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000053377989 453875060 /nfs/dbraw/zinc/87/50/60/453875060.db2.gz YJIGTQAUQQZJJS-UHFFFAOYSA-N 1 0 335.404 3.054 20 5 EGBDRO COc1cc(C[NH+]2CCC(C)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000053778561 453895943 /nfs/dbraw/zinc/89/59/43/453895943.db2.gz GZZUIEUMJYNSIG-UHFFFAOYSA-N 1 0 330.331 3.437 20 5 EGBDRO COc1cc(C)c(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000083455340 453949579 /nfs/dbraw/zinc/94/95/79/453949579.db2.gz ZINBGWOTRVWHQP-UHFFFAOYSA-N 1 0 330.384 3.253 20 5 EGBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](c3ccccc3)C2)c2c(c1)COCO2 ZINC000084525542 453994879 /nfs/dbraw/zinc/99/48/79/453994879.db2.gz GTRLINSZSVDOQA-HNNXBMFYSA-N 1 0 340.379 3.451 20 5 EGBDRO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(Cl)cn1 ZINC000056196839 454043307 /nfs/dbraw/zinc/04/33/07/454043307.db2.gz NDCXYKJECVNTHJ-QWRGUYRKSA-N 1 0 348.790 3.321 20 5 EGBDRO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)N1CCc2ccccc21 ZINC000056197273 454043437 /nfs/dbraw/zinc/04/34/37/454043437.db2.gz MCFPCBZQGKHMGQ-ZIAGYGMSSA-N 1 0 339.395 3.223 20 5 EGBDRO C[NH+](C)CC(C)(C)CNc1cc(Br)ccc1[N+](=O)[O-] ZINC000087834116 454089944 /nfs/dbraw/zinc/08/99/44/454089944.db2.gz CPBYZYHWKDYQCO-UHFFFAOYSA-N 1 0 330.226 3.357 20 5 EGBDRO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccc([S@](C)=O)cc1 ZINC000089580949 454163135 /nfs/dbraw/zinc/16/31/35/454163135.db2.gz HCSMOKUQFGUNCU-RKNYENMMSA-N 1 0 348.424 3.062 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H]1CC(C)C ZINC000130358196 454193397 /nfs/dbraw/zinc/19/33/97/454193397.db2.gz SYBNIHRLYDUBOK-CYBMUJFWSA-N 1 0 335.404 3.052 20 5 EGBDRO Cc1c(NC(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000119737566 454217119 /nfs/dbraw/zinc/21/71/19/454217119.db2.gz MCPHAUUNBRKLFJ-OAHLLOKOSA-N 1 0 346.431 3.243 20 5 EGBDRO C[N@H+](CCCNC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000071805230 454221500 /nfs/dbraw/zinc/22/15/00/454221500.db2.gz BRGBVXPZMJMYHD-UHFFFAOYSA-N 1 0 342.399 3.238 20 5 EGBDRO COC[C@@H]1CCC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000089901073 454229555 /nfs/dbraw/zinc/22/95/55/454229555.db2.gz VKUOSJJQDCEYSN-CYBMUJFWSA-N 1 0 331.372 3.108 20 5 EGBDRO CC[NH+]1CCC(N(C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000089907954 454231711 /nfs/dbraw/zinc/23/17/11/454231711.db2.gz JSFRWPZTEPRUKC-UHFFFAOYSA-N 1 0 344.415 3.166 20 5 EGBDRO C[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H](CO)C(C)(C)C ZINC000089924768 454236109 /nfs/dbraw/zinc/23/61/09/454236109.db2.gz VEALDHCYSLSQGS-OAHLLOKOSA-N 1 0 333.388 3.089 20 5 EGBDRO O=[N+]([O-])c1c2cccnc2ccc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000078424962 454251586 /nfs/dbraw/zinc/25/15/86/454251586.db2.gz OCPPKDOIPFQXRB-HNNXBMFYSA-N 1 0 340.427 3.455 20 5 EGBDRO CC[NH+](CC)C[C@@H]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)C1 ZINC000078559790 454275251 /nfs/dbraw/zinc/27/52/51/454275251.db2.gz VSQSQSQBHLGYJC-AWEZNQCLSA-N 1 0 328.416 3.311 20 5 EGBDRO C[C@H]1CCN(c2ccc([N+](=O)[O-])cn2)CC[N@@H+]1Cc1ccccc1 ZINC000078689258 454300627 /nfs/dbraw/zinc/30/06/27/454300627.db2.gz XBVPZZWYWKLCDQ-HNNXBMFYSA-N 1 0 326.400 3.091 20 5 EGBDRO Cc1ccc(C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000046990584 454313006 /nfs/dbraw/zinc/31/30/06/454313006.db2.gz OQFDHCSHRZHTFL-AWEZNQCLSA-N 1 0 333.432 3.145 20 5 EGBDRO C[C@@H]1C[C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C[C@@H](c2ccccc2)C1 ZINC000090538520 454318411 /nfs/dbraw/zinc/31/84/11/454318411.db2.gz HKQNOCOBMDCWTF-BHYGNILZSA-N 1 0 328.416 3.353 20 5 EGBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+]C1(c2ccc(Cl)cc2)CCC1 ZINC000090554096 454320789 /nfs/dbraw/zinc/32/07/89/454320789.db2.gz KOQBCYDWQPPSQJ-UHFFFAOYSA-N 1 0 347.802 3.079 20 5 EGBDRO CCOc1ccc(NC(=O)C[N@H+](C)C2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000060942446 454321222 /nfs/dbraw/zinc/32/12/22/454321222.db2.gz AOZDJRJBIAMUBQ-UHFFFAOYSA-N 1 0 349.431 3.443 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1C[C@H](C)S[C@@H](C)C1 ZINC000072770146 454338352 /nfs/dbraw/zinc/33/83/52/454338352.db2.gz SOOHSCXSNNAGRM-STQMWFEESA-N 1 0 337.445 3.058 20 5 EGBDRO Cc1cc2ncc([C@@H](C)[NH2+]CCc3cccc([N+](=O)[O-])c3)c(C)n2n1 ZINC000090910215 454350227 /nfs/dbraw/zinc/35/02/27/454350227.db2.gz KVUTVZFFWJPYHI-CYBMUJFWSA-N 1 0 339.399 3.148 20 5 EGBDRO Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2F)c(C[NH+](C)C)c1 ZINC000072840686 454350491 /nfs/dbraw/zinc/35/04/91/454350491.db2.gz UONSHKXWUYQKIY-UHFFFAOYSA-N 1 0 331.347 3.356 20 5 EGBDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000120826470 454352000 /nfs/dbraw/zinc/35/20/00/454352000.db2.gz OMMBPAHCYWIHSL-MRXNPFEDSA-N 1 0 347.459 3.156 20 5 EGBDRO C[NH+](C)[C@@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000061742940 454354860 /nfs/dbraw/zinc/35/48/60/454354860.db2.gz GOBIBKGWVRLJHT-INIZCTEOSA-N 1 0 346.362 3.158 20 5 EGBDRO COc1ccc2c(c1)OC[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C2 ZINC000090964634 454355924 /nfs/dbraw/zinc/35/59/24/454355924.db2.gz MULAWTBXKMKADY-SWLSCSKDSA-N 1 0 328.368 3.258 20 5 EGBDRO CCC[NH+]1CCC(N(C)Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000079051043 454360769 /nfs/dbraw/zinc/36/07/69/454360769.db2.gz ISWYIQOTBSFEJC-UHFFFAOYSA-N 1 0 332.404 3.042 20 5 EGBDRO CC[N@@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000133259234 454405333 /nfs/dbraw/zinc/40/53/33/454405333.db2.gz XPXMIGKMJINANN-LLVKDONJSA-N 1 0 329.347 3.340 20 5 EGBDRO NC(=O)c1ccc(C[NH2+][C@@H]2CCC[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000133458147 454427880 /nfs/dbraw/zinc/42/78/80/454427880.db2.gz DCFWHTILLAAXSZ-DLBZAZTESA-N 1 0 339.395 3.120 20 5 EGBDRO C[NH+](C)C1(CNc2ccc(Br)cc2[N+](=O)[O-])CCC1 ZINC000097934159 454446573 /nfs/dbraw/zinc/44/65/73/454446573.db2.gz IYAHBPIXKZTHAT-UHFFFAOYSA-N 1 0 328.210 3.254 20 5 EGBDRO CCc1nn(C)cc1C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000091742282 454465532 /nfs/dbraw/zinc/46/55/32/454465532.db2.gz SJOAGYYFRVIQQW-QGZVFWFLSA-N 1 0 328.416 3.002 20 5 EGBDRO CC[NH+](CC)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])c(C)n1)c1ccccc1 ZINC000134069120 454499484 /nfs/dbraw/zinc/49/94/84/454499484.db2.gz WKJRCFWDQSIXCD-QGZVFWFLSA-N 1 0 342.399 3.320 20 5 EGBDRO CS[C@@H]1CCCC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000134603709 454567011 /nfs/dbraw/zinc/56/70/11/454567011.db2.gz UYPATWQJGUQXIT-OAHLLOKOSA-N 1 0 338.429 3.179 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCC[C@@H]3CO)o2)c(Cl)c1 ZINC000092470671 454571528 /nfs/dbraw/zinc/57/15/28/454571528.db2.gz BUDQXIPMSXTNSW-GFCCVEGCSA-N 1 0 336.775 3.465 20 5 EGBDRO CC(C)c1ccc(C[N@@H+]2CCC[C@@H](CCC(N)=O)C2)cc1[N+](=O)[O-] ZINC000092660353 454603362 /nfs/dbraw/zinc/60/33/62/454603362.db2.gz WSLMBWASCGOZGQ-AWEZNQCLSA-N 1 0 333.432 3.196 20 5 EGBDRO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000092730685 454618472 /nfs/dbraw/zinc/61/84/72/454618472.db2.gz OGVNOEVOAWXODF-DOTOQJQBSA-N 1 0 347.459 3.420 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CC[C@@H](CO)C3)o2)c(Cl)c1 ZINC000092763013 454627679 /nfs/dbraw/zinc/62/76/79/454627679.db2.gz KBJJRORBYIRNGA-LLVKDONJSA-N 1 0 336.775 3.322 20 5 EGBDRO C[NH+](C)[C@H]1CCCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000092938508 454656293 /nfs/dbraw/zinc/65/62/93/454656293.db2.gz VTWUEYYGVKLKCJ-AWEZNQCLSA-N 1 0 329.400 3.381 20 5 EGBDRO O=[N+]([O-])c1cc(F)ccc1NC1CC[NH+](Cc2ccncc2)CC1 ZINC000052447796 454673177 /nfs/dbraw/zinc/67/31/77/454673177.db2.gz DVPVZYSFYWEFBG-UHFFFAOYSA-N 1 0 330.363 3.205 20 5 EGBDRO C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C[C@@H]1n1ccnc1 ZINC000124795950 454770683 /nfs/dbraw/zinc/77/06/83/454770683.db2.gz YVTCIVRRAAPUSL-ABAIWWIYSA-N 1 0 348.790 3.168 20 5 EGBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](C)c1nccs1 ZINC000153350358 454785363 /nfs/dbraw/zinc/78/53/63/454785363.db2.gz XTJMBWGKATZUDO-QWRGUYRKSA-N 1 0 334.401 3.119 20 5 EGBDRO C[N@H+](CCn1cccn1)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000125293166 454811973 /nfs/dbraw/zinc/81/19/73/454811973.db2.gz JEOWMZRYTAUSQT-UHFFFAOYSA-N 1 0 326.356 3.183 20 5 EGBDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000163320661 454839619 /nfs/dbraw/zinc/83/96/19/454839619.db2.gz UKOMOWFTVXGFPS-KRWDZBQOSA-N 1 0 347.459 3.012 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3cccc4cccnc43)C2)nc1 ZINC000112655295 454894112 /nfs/dbraw/zinc/89/41/12/454894112.db2.gz DBXOIJAZNSMRGO-MRXNPFEDSA-N 1 0 349.394 3.224 20 5 EGBDRO CC[NH+](CC)[C@@H](CNC(=O)c1cccc(C)c1[N+](=O)[O-])CC(C)C ZINC000112915371 454906095 /nfs/dbraw/zinc/90/60/95/454906095.db2.gz YFXIPUJKUNNAGS-OAHLLOKOSA-N 1 0 335.448 3.390 20 5 EGBDRO C[C@H](CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)C[NH+]1CCCCC1 ZINC000170639819 454946425 /nfs/dbraw/zinc/94/64/25/454946425.db2.gz QDMLKFWNVADHGO-CYBMUJFWSA-N 1 0 346.431 3.013 20 5 EGBDRO NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000154975632 454949804 /nfs/dbraw/zinc/94/98/04/454949804.db2.gz YYDMJEBKMFQCAC-GFCCVEGCSA-N 1 0 345.424 3.021 20 5 EGBDRO COc1ccc(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1O ZINC000178407807 454953544 /nfs/dbraw/zinc/95/35/44/454953544.db2.gz DJWGIABREHALOY-INIZCTEOSA-N 1 0 342.395 3.420 20 5 EGBDRO Cc1ccc(C[NH2+]C[C@](C)(O)c2ccc(F)cc2F)cc1[N+](=O)[O-] ZINC000114509056 454958886 /nfs/dbraw/zinc/95/88/86/454958886.db2.gz ICMQKKZBAUAHEC-KRWDZBQOSA-N 1 0 336.338 3.179 20 5 EGBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2ccc(-c3c(F)cccc3F)o2)c1 ZINC000151265537 454960751 /nfs/dbraw/zinc/96/07/51/454960751.db2.gz YDIFJOWLPXIQLH-UHFFFAOYSA-N 1 0 348.309 3.119 20 5 EGBDRO C[N@@H+]1CCC[C@@H](CNC(=O)c2cc3ccccc3c3cccnc23)C1 ZINC000170979947 455009802 /nfs/dbraw/zinc/00/98/02/455009802.db2.gz JUARVSXKFHJRNB-HNNXBMFYSA-N 1 0 333.435 3.460 20 5 EGBDRO CCN(CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000117335849 455083704 /nfs/dbraw/zinc/08/37/04/455083704.db2.gz ZJBWHDKGXVVGHK-UHFFFAOYSA-N 1 0 341.367 3.419 20 5 EGBDRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000171708747 455088026 /nfs/dbraw/zinc/08/80/26/455088026.db2.gz XCAHUZWOQBAFMF-NSHDSACASA-N 1 0 345.424 3.024 20 5 EGBDRO COc1cc(C[N@@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000179866515 455090644 /nfs/dbraw/zinc/09/06/44/455090644.db2.gz FRUQJKPRNLZHTM-LLVKDONJSA-N 1 0 344.358 3.479 20 5 EGBDRO CC1(CNc2ccc(Br)cc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000129446405 455112258 /nfs/dbraw/zinc/11/22/58/455112258.db2.gz SJCYYMUPINKOCD-UHFFFAOYSA-N 1 0 328.210 3.159 20 5 EGBDRO COC(=O)C(C)(C)C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000180039873 455121191 /nfs/dbraw/zinc/12/11/91/455121191.db2.gz ILOLBXCPYKUFLP-UHFFFAOYSA-N 1 0 349.412 3.007 20 5 EGBDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000172232384 455137147 /nfs/dbraw/zinc/13/71/47/455137147.db2.gz OKDBCQWXZJLHSE-GFCCVEGCSA-N 1 0 347.440 3.223 20 5 EGBDRO COc1ccc(CN2CCC[N@@H+](C3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000172581699 455162902 /nfs/dbraw/zinc/16/29/02/455162902.db2.gz IAMGWEUHNBPHAS-UHFFFAOYSA-N 1 0 333.432 3.054 20 5 EGBDRO Cc1cc(C)cc(OC[C@H](O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000180428678 455167895 /nfs/dbraw/zinc/16/78/95/455167895.db2.gz RJTQHRLXWWUSTL-CRAIPNDOSA-N 1 0 344.411 3.302 20 5 EGBDRO C[N@@H+](Cc1cc(F)c(F)c(F)c1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000180485281 455179966 /nfs/dbraw/zinc/17/99/66/455179966.db2.gz NZRIUTOTTWITBL-OAHLLOKOSA-N 1 0 340.301 3.178 20 5 EGBDRO CCOC(=O)N1CCC([C@@H](C)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000189383384 455187971 /nfs/dbraw/zinc/18/79/71/455187971.db2.gz HMIDAPQILTZAHQ-CQSZACIVSA-N 1 0 349.431 3.250 20 5 EGBDRO C[C@H](CCNC(=O)c1cc([N+](=O)[O-])ccc1Cl)[NH+]1CCCCC1 ZINC000182917464 455191429 /nfs/dbraw/zinc/19/14/29/455191429.db2.gz JDFPSCCOZFOVJA-GFCCVEGCSA-N 1 0 339.823 3.243 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](C)c1cccc(O)c1 ZINC000181571171 455356654 /nfs/dbraw/zinc/35/66/54/455356654.db2.gz XNXOLNWSJBHWID-CYBMUJFWSA-N 1 0 343.383 3.288 20 5 EGBDRO COc1ccnc(CN(Cc2ccccc2[N+](=O)[O-])C2CC2)c1OC ZINC000190917061 455404863 /nfs/dbraw/zinc/40/48/63/455404863.db2.gz KSWHZTRJLQIWNL-UHFFFAOYSA-N 1 0 343.383 3.172 20 5 EGBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000184653244 455422305 /nfs/dbraw/zinc/42/23/05/455422305.db2.gz ZZDFTCNFSDCGSV-MRXNPFEDSA-N 1 0 347.459 3.153 20 5 EGBDRO C[C@H](c1ccco1)[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000246093672 455425046 /nfs/dbraw/zinc/42/50/46/455425046.db2.gz NUSCWAQNNXTZRR-CZUORRHYSA-N 1 0 346.383 3.153 20 5 EGBDRO C[C@@H]([NH2+][C@@H]1CCN(C2CCCCC2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000160151533 455433430 /nfs/dbraw/zinc/43/34/30/455433430.db2.gz UZLULOZXNZGNMO-CXAGYDPISA-N 1 0 331.416 3.179 20 5 EGBDRO C[C@H](c1ccccc1)[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182178155 455453423 /nfs/dbraw/zinc/45/34/23/455453423.db2.gz SVDMQRWWHJYDCT-ZBFHGGJFSA-N 1 0 330.384 3.028 20 5 EGBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000246364202 455477340 /nfs/dbraw/zinc/47/73/40/455477340.db2.gz FRFYMGVCQUDPAS-CABCVRRESA-N 1 0 348.447 3.075 20 5 EGBDRO CC[C@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@H]1CCCO1 ZINC000182283074 455479407 /nfs/dbraw/zinc/47/94/07/455479407.db2.gz OZNSOTOAGYLCPR-JKSUJKDBSA-N 1 0 345.399 3.340 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC2CC[NH+](C3CCCCC3)CC2)c1 ZINC000267028772 455494106 /nfs/dbraw/zinc/49/41/06/455494106.db2.gz SJRIWIZGACVBHV-UHFFFAOYSA-N 1 0 345.443 3.430 20 5 EGBDRO C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc(C(F)(F)F)cc1 ZINC000182417683 455509776 /nfs/dbraw/zinc/50/97/76/455509776.db2.gz PAFYJOOSDBOGNR-JTQLQIEISA-N 1 0 328.294 3.161 20 5 EGBDRO CC[N@H+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000267175428 455510936 /nfs/dbraw/zinc/51/09/36/455510936.db2.gz ASGCYOWPSLEEKW-LLVKDONJSA-N 1 0 331.338 3.392 20 5 EGBDRO C[C@@H]1C[C@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CN1C1CC1 ZINC000246861608 455531711 /nfs/dbraw/zinc/53/17/11/455531711.db2.gz CMYQWAHTNSWSIP-RPVQJOFSSA-N 1 0 329.444 3.131 20 5 EGBDRO O=C(NC1CC[NH+](CC2CCCC2)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000601020276 460678166 /nfs/dbraw/zinc/67/81/66/460678166.db2.gz WQQKFZCVGZVPCR-UHFFFAOYSA-N 1 0 349.406 3.118 20 5 EGBDRO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@H](C)[C@@H]2CC)c([N+](=O)[O-])c1 ZINC000185665069 455591695 /nfs/dbraw/zinc/59/16/95/455591695.db2.gz LABIDTPYSGMKGV-WFASDCNBSA-N 1 0 335.404 3.052 20 5 EGBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC000247460146 455604107 /nfs/dbraw/zinc/60/41/07/455604107.db2.gz UIDZSPWBKOEEPF-XBFCOCLRSA-N 1 0 328.372 3.438 20 5 EGBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000284158198 455644864 /nfs/dbraw/zinc/64/48/64/455644864.db2.gz WICGSZXUQKDWLW-NSHDSACASA-N 1 0 340.811 3.054 20 5 EGBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000192597261 455649691 /nfs/dbraw/zinc/64/96/91/455649691.db2.gz OMCNLVRBWAJCJN-INIZCTEOSA-N 1 0 343.431 3.196 20 5 EGBDRO CC(=O)c1cc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000292396833 455651326 /nfs/dbraw/zinc/65/13/26/455651326.db2.gz UOSNWPSSEZNZDM-CYBMUJFWSA-N 1 0 331.416 3.108 20 5 EGBDRO CC[C@H](NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000271493898 455659498 /nfs/dbraw/zinc/65/94/98/455659498.db2.gz KVZHCZTXESYTSQ-OTWHNJEPSA-N 1 0 347.459 3.013 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1cccnc1-n1cccn1)CCC2 ZINC000192654130 455662695 /nfs/dbraw/zinc/66/26/95/455662695.db2.gz FVSNVWCGKVOHDW-GOSISDBHSA-N 1 0 349.394 3.343 20 5 EGBDRO COc1ccc(OCC[N@@H+]2CCC[C@H](CSC)C2)c([N+](=O)[O-])c1 ZINC000292502212 455681030 /nfs/dbraw/zinc/68/10/30/455681030.db2.gz USDIZVXVDKBVGX-ZDUSSCGKSA-N 1 0 340.445 3.057 20 5 EGBDRO COc1cccc([C@H](C)[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000271627584 455704777 /nfs/dbraw/zinc/70/47/77/455704777.db2.gz FBYOOPYKBCXNNU-ZDUSSCGKSA-N 1 0 343.383 3.283 20 5 EGBDRO CC[C@@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000271656230 455713101 /nfs/dbraw/zinc/71/31/01/455713101.db2.gz KELOBFSOMPJSOD-QGZVFWFLSA-N 1 0 327.384 3.299 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1OCCO)CCC2 ZINC000192893978 455713964 /nfs/dbraw/zinc/71/39/64/455713964.db2.gz YIRDYVIGCUPNTB-GOSISDBHSA-N 1 0 342.395 3.133 20 5 EGBDRO COC(=O)c1ccc(C[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])o1 ZINC000268911947 455728397 /nfs/dbraw/zinc/72/83/97/455728397.db2.gz SYDSEPDTJWLBCK-GFCCVEGCSA-N 1 0 332.356 3.085 20 5 EGBDRO CC[C@@H]([NH2+]C[C@@H](O)c1cccc(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000268935049 455735852 /nfs/dbraw/zinc/73/58/52/455735852.db2.gz ROXZCGHVYWSYIH-QZTJIDSGSA-N 1 0 330.384 3.378 20 5 EGBDRO C[C@@H](NC(=O)NCCC[N@@H+]1CCCC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000249685943 455766685 /nfs/dbraw/zinc/76/66/85/455766685.db2.gz HTAQIGHJOBBGMI-LSDHHAIUSA-N 1 0 348.447 3.220 20 5 EGBDRO Cc1cc(NC(=O)NCc2cccc(C[NH+](C)C)c2)ccc1[N+](=O)[O-] ZINC000193630874 455768537 /nfs/dbraw/zinc/76/85/37/455768537.db2.gz PXVJRNXNIRTSOB-UHFFFAOYSA-N 1 0 342.399 3.287 20 5 EGBDRO CO[C@@H]1C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC[C@@H]1C ZINC000251910632 455799553 /nfs/dbraw/zinc/79/95/53/455799553.db2.gz RRVZGZNJGMNWNU-SUMWQHHRSA-N 1 0 345.399 3.149 20 5 EGBDRO CC(C)c1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000251934776 455800012 /nfs/dbraw/zinc/80/00/12/455800012.db2.gz UEDLWKPBLBSIJO-XJKSGUPXSA-N 1 0 333.432 3.130 20 5 EGBDRO COc1ccc([C@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000194352520 455831201 /nfs/dbraw/zinc/83/12/01/455831201.db2.gz DCWJWNCVYWBVHZ-ZDUSSCGKSA-N 1 0 346.383 3.342 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC(C)(C)[C@@H]1c1nccn1C ZINC000296192828 455876754 /nfs/dbraw/zinc/87/67/54/455876754.db2.gz MWKJBOGYQSTVEP-AWEZNQCLSA-N 1 0 343.387 3.252 20 5 EGBDRO Cc1c(C(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000187248741 455887367 /nfs/dbraw/zinc/88/73/67/455887367.db2.gz JTDUXLLYKYAOMM-KBXCAEBGSA-N 1 0 341.411 3.324 20 5 EGBDRO Cc1ccc(CN2CC[NH2+]C[C@@H]2c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000261603317 455911468 /nfs/dbraw/zinc/91/14/68/455911468.db2.gz ARUQLPICDVESSZ-GOSISDBHSA-N 1 0 329.375 3.189 20 5 EGBDRO Cc1cccc(C(=O)N(C)CCC[N@H+](C)Cc2ccco2)c1[N+](=O)[O-] ZINC000285823229 455922864 /nfs/dbraw/zinc/92/28/64/455922864.db2.gz NZUTZILGJCMZJU-UHFFFAOYSA-N 1 0 345.399 3.090 20 5 EGBDRO CO[C@]1(C)CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000280258717 455929999 /nfs/dbraw/zinc/92/99/99/455929999.db2.gz CAJCVYKDHCOVIO-GOSISDBHSA-N 1 0 349.431 3.123 20 5 EGBDRO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000272450077 455955487 /nfs/dbraw/zinc/95/54/87/455955487.db2.gz JKNMKBBWQCXNGZ-ZIAGYGMSSA-N 1 0 349.431 3.330 20 5 EGBDRO O=C(c1ccccc1)N1CCC([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000195422622 455959334 /nfs/dbraw/zinc/95/93/34/455959334.db2.gz OGQSXRXFPIWGGC-UHFFFAOYSA-N 1 0 345.424 3.051 20 5 EGBDRO O=[N+]([O-])c1ccc(CN2CC[NH2+]C[C@@H]2c2cccc(F)c2)c(F)c1 ZINC000261861099 455960730 /nfs/dbraw/zinc/96/07/30/455960730.db2.gz WHRLEZXBNHMLGH-QGZVFWFLSA-N 1 0 333.338 3.020 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCC4(C3)CCOCC4)co2)cc1 ZINC000270599852 455992840 /nfs/dbraw/zinc/99/28/40/455992840.db2.gz LOACGPKFMNLGOI-UHFFFAOYSA-N 1 0 343.383 3.252 20 5 EGBDRO CC(C)C[NH+]1CCC(Nc2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000286172304 455993350 /nfs/dbraw/zinc/99/33/50/455993350.db2.gz POKLWCOKTGFNSY-UHFFFAOYSA-N 1 0 335.433 3.132 20 5 EGBDRO Cc1nc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)sc1C ZINC000296792508 456038436 /nfs/dbraw/zinc/03/84/36/456038436.db2.gz SWDRODMYMLAYTC-QWRGUYRKSA-N 1 0 348.428 3.346 20 5 EGBDRO Cc1ccc([C@@H](CNc2nccc(C)c2[N+](=O)[O-])[NH+]2CCCC2)o1 ZINC000301298069 456085095 /nfs/dbraw/zinc/08/50/95/456085095.db2.gz PUPXWRWAEVSNLJ-CQSZACIVSA-N 1 0 330.388 3.449 20 5 EGBDRO CCC[N@H+](C)C[C@@H]1CCN(c2nccc3cc([N+](=O)[O-])ccc32)C1 ZINC000297006922 456089907 /nfs/dbraw/zinc/08/99/07/456089907.db2.gz GFXUMKIMXCQHBH-AWEZNQCLSA-N 1 0 328.416 3.311 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2nc(C[N@@H+](CCO)C3CCCC3)cs2)c1 ZINC000271025325 456102603 /nfs/dbraw/zinc/10/26/03/456102603.db2.gz VUMUKVAGWFTEGK-UHFFFAOYSA-N 1 0 347.440 3.455 20 5 EGBDRO C[C@@H](NC(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000332636099 456103430 /nfs/dbraw/zinc/10/34/30/456103430.db2.gz YBVNPIAZJZLJAC-QLFBSQMISA-N 1 0 348.447 3.075 20 5 EGBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)c1ccc(Br)cc1[N+](=O)[O-] ZINC000301519524 456136920 /nfs/dbraw/zinc/13/69/20/456136920.db2.gz FBHYDMJICHKFHW-ZYHUDNBSSA-N 1 0 342.237 3.134 20 5 EGBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000301558549 456145974 /nfs/dbraw/zinc/14/59/74/456145974.db2.gz TWVKKLXFUTXGMI-ZYHUDNBSSA-N 1 0 331.338 3.390 20 5 EGBDRO O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000281163090 456150683 /nfs/dbraw/zinc/15/06/83/456150683.db2.gz ZWFNOYIUVJSAPA-GOSISDBHSA-N 1 0 345.443 3.051 20 5 EGBDRO O=[N+]([O-])c1cnc(NCCC[NH+]2CCCCC2)c(Br)c1 ZINC000301579448 456151308 /nfs/dbraw/zinc/15/13/08/456151308.db2.gz ZXDKPTIBIHYVTK-UHFFFAOYSA-N 1 0 343.225 3.040 20 5 EGBDRO C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000281317962 456200944 /nfs/dbraw/zinc/20/09/44/456200944.db2.gz RATNBJKPZFJSRH-ZYUBPSHWSA-N 1 0 336.407 3.495 20 5 EGBDRO C[N@@H+]1CCC[C@H]2CN(c3nccc4cc([N+](=O)[O-])ccc43)CC[C@H]21 ZINC000297405546 456212221 /nfs/dbraw/zinc/21/22/21/456212221.db2.gz GBMKDRLQJFUDSX-WMLDXEAASA-N 1 0 326.400 3.064 20 5 EGBDRO C[C@@H](CCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)[NH+]1CCCCC1 ZINC000273214581 456217735 /nfs/dbraw/zinc/21/77/35/456217735.db2.gz QQEIPEFWYCOVLI-HNNXBMFYSA-N 1 0 347.459 3.253 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000297432766 456220556 /nfs/dbraw/zinc/22/05/56/456220556.db2.gz OYURGUUYULOONY-UHFFFAOYSA-N 1 0 346.431 3.296 20 5 EGBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000301814652 456221595 /nfs/dbraw/zinc/22/15/95/456221595.db2.gz GGBVPROSVUDAAZ-ZWNOBZJWSA-N 1 0 331.338 3.390 20 5 EGBDRO CN(CC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1[N+](=O)[O-] ZINC000301912728 456249334 /nfs/dbraw/zinc/24/93/34/456249334.db2.gz HESFEMVKVPFDSQ-UHFFFAOYSA-N 1 0 326.400 3.343 20 5 EGBDRO COc1cc(NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000301955604 456258119 /nfs/dbraw/zinc/25/81/19/456258119.db2.gz KSBICYCUHCIJJS-VXGBXAGGSA-N 1 0 325.384 3.275 20 5 EGBDRO C[C@H]1C[C@@H](CO)CC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000290250194 456274378 /nfs/dbraw/zinc/27/43/78/456274378.db2.gz VRPGUVBSRFQFPD-KBPBESRZSA-N 1 0 330.384 3.448 20 5 EGBDRO Cc1cc(N2CCC(n3cccn3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302063828 456278454 /nfs/dbraw/zinc/27/84/54/456278454.db2.gz AITKHJOERCRDIW-UHFFFAOYSA-N 1 0 337.383 3.489 20 5 EGBDRO C[C@H]([NH2+][C@@H]1CSC[C@H]1C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000352799280 456318852 /nfs/dbraw/zinc/31/88/52/456318852.db2.gz MFPMDCPHMFOEBZ-GBIKHYSHSA-N 1 0 334.401 3.047 20 5 EGBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@H](c2ccncc2)C1 ZINC000347712741 456319627 /nfs/dbraw/zinc/31/96/27/456319627.db2.gz BGTPNFOAMMICLG-INIZCTEOSA-N 1 0 327.384 3.248 20 5 EGBDRO O=C(CC[N@@H+]1CCS[C@@H]2CCCC[C@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000281861685 456342524 /nfs/dbraw/zinc/34/25/24/456342524.db2.gz AORRVSSTXGWZQP-HZPDHXFCSA-N 1 0 349.456 3.283 20 5 EGBDRO Cc1c(C(=O)N[C@@H](C[NH+](C)C)c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000290498858 456344825 /nfs/dbraw/zinc/34/48/25/456344825.db2.gz MVIRONKSEXZJPY-INIZCTEOSA-N 1 0 345.374 3.075 20 5 EGBDRO CS[C@H]1CN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C[C@H]1[NH+](C)C ZINC000347795340 456372970 /nfs/dbraw/zinc/37/29/70/456372970.db2.gz URPMZUYVDRBLAV-OLZOCXBDSA-N 1 0 349.378 3.095 20 5 EGBDRO Cc1cc(NC(=O)NCC[N@@H+](C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000352885076 456388220 /nfs/dbraw/zinc/38/82/20/456388220.db2.gz WCSXFMXGZXWDRE-UHFFFAOYSA-N 1 0 342.399 3.157 20 5 EGBDRO COC(=O)[C@H]1CC[C@@H](Nc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)C1 ZINC000302866319 456420440 /nfs/dbraw/zinc/42/04/40/456420440.db2.gz VFQGUWXDWKTGHL-NWDGAFQWSA-N 1 0 329.356 3.205 20 5 EGBDRO CC[NH+](CC)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)CC(C)C ZINC000303588579 456470341 /nfs/dbraw/zinc/47/03/41/456470341.db2.gz OHWYXUFAGCTDTO-AWEZNQCLSA-N 1 0 339.411 3.220 20 5 EGBDRO CO[C@@H]1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H](C)C1 ZINC000282421273 456508294 /nfs/dbraw/zinc/50/82/94/456508294.db2.gz QULCZOBOFWXZSF-XJKSGUPXSA-N 1 0 345.399 3.292 20 5 EGBDRO O=[N+]([O-])c1cc2ccccc2nc1N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000276587280 456522040 /nfs/dbraw/zinc/52/20/40/456522040.db2.gz JCPJAEGIUNVCJF-AWEZNQCLSA-N 1 0 326.400 3.065 20 5 EGBDRO CCCn1ccnc1CCC[N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282578323 456558212 /nfs/dbraw/zinc/55/82/12/456558212.db2.gz VRXNPUUUHZJIIX-UHFFFAOYSA-N 1 0 334.395 3.405 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000310326802 456581877 /nfs/dbraw/zinc/58/18/77/456581877.db2.gz ZAZPSCHIFRVHDQ-OAHLLOKOSA-N 1 0 327.384 3.290 20 5 EGBDRO Cc1ccc(C[NH2+][C@H]2CCO[C@H]2c2ccnn2C(C)C)cc1[N+](=O)[O-] ZINC000343388590 456582442 /nfs/dbraw/zinc/58/24/42/456582442.db2.gz JPGLVGBCDCDCGM-MAUKXSAKSA-N 1 0 344.415 3.300 20 5 EGBDRO CC[C@@H]1[C@H](C)CC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000299186816 456628461 /nfs/dbraw/zinc/62/84/61/456628461.db2.gz BZTMQULDDWTQRR-IUODEOHRSA-N 1 0 335.404 3.052 20 5 EGBDRO CN(C)c1cccc(C[N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000340703771 456639412 /nfs/dbraw/zinc/63/94/12/456639412.db2.gz UAFUJNMRZAWMAE-UHFFFAOYSA-N 1 0 329.400 3.172 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2COc3ccccc3O2)cc1[N+](=O)[O-] ZINC000324179706 456662097 /nfs/dbraw/zinc/66/20/97/456662097.db2.gz PQKTZUGWUGTDDX-DZGCQCFKSA-N 1 0 328.368 3.394 20 5 EGBDRO CCCn1ccnc1CCC[N@H+](C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000277180363 456711948 /nfs/dbraw/zinc/71/19/48/456711948.db2.gz ZPECZJPPAKSPFP-UHFFFAOYSA-N 1 0 346.431 3.275 20 5 EGBDRO Cc1cc(NC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000338351737 456782335 /nfs/dbraw/zinc/78/23/35/456782335.db2.gz BVHWPOAIPNLICL-HNNXBMFYSA-N 1 0 348.428 3.389 20 5 EGBDRO CC(=O)c1cc(NCC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000283589127 456807659 /nfs/dbraw/zinc/80/76/59/456807659.db2.gz PRFVBJDDAWTBNC-BETUJISGSA-N 1 0 349.431 3.097 20 5 EGBDRO COc1ccc(-c2ccc(C[N@H+](C)[C@H]3CCCOC3)o2)c([N+](=O)[O-])c1 ZINC000348713592 456825922 /nfs/dbraw/zinc/82/59/22/456825922.db2.gz WSGZGRXDLUVNOB-ZDUSSCGKSA-N 1 0 346.383 3.474 20 5 EGBDRO O=[N+]([O-])c1ccc(NCC2([NH+]3CCSCC3)CCCCC2)nc1 ZINC000301224794 456826743 /nfs/dbraw/zinc/82/67/43/456826743.db2.gz FOGLNKZHGWNYLK-UHFFFAOYSA-N 1 0 336.461 3.153 20 5 EGBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C[C@@H](C)[NH+]1C ZINC000338793290 456858358 /nfs/dbraw/zinc/85/83/58/456858358.db2.gz KEINWAPMDQTVDO-ZIAGYGMSSA-N 1 0 326.400 3.186 20 5 EGBDRO C[C@@H](CO)[N@H+](C)Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000349299826 456936053 /nfs/dbraw/zinc/93/60/53/456936053.db2.gz RHPBPEJHDDGHGM-LBPRGKRZSA-N 1 0 334.347 3.339 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H](c2ccccc2)c2cncnc2)cc1 ZINC000349463225 456972928 /nfs/dbraw/zinc/97/29/28/456972928.db2.gz STTCMIKSXOGOLH-IBGZPJMESA-N 1 0 334.379 3.307 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[N@H+](Cc2ccccc2)CC2(CO)CC2)cc1 ZINC000341958697 457025288 /nfs/dbraw/zinc/02/52/88/457025288.db2.gz CRSFHYRIFPILDB-UHFFFAOYSA-N 1 0 340.423 3.412 20 5 EGBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000356599185 457076423 /nfs/dbraw/zinc/07/64/23/457076423.db2.gz OVIJXUNTYPSRJB-CYBMUJFWSA-N 1 0 348.447 3.019 20 5 EGBDRO Cc1cnc(N(C)CC2CCN(c3cc[nH+]cc3)CC2)c([N+](=O)[O-])c1 ZINC000346656033 457096156 /nfs/dbraw/zinc/09/61/56/457096156.db2.gz MPSQVDMVAZVOOO-UHFFFAOYSA-N 1 0 341.415 3.046 20 5 EGBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)CC[NH+](C)C ZINC000342110721 457113375 /nfs/dbraw/zinc/11/33/75/457113375.db2.gz KFXRSKGPFGAGFE-GFCCVEGCSA-N 1 0 339.461 3.165 20 5 EGBDRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000356735093 457141253 /nfs/dbraw/zinc/14/12/53/457141253.db2.gz DLJMOBMFTXPCHS-LLVKDONJSA-N 1 0 335.429 3.268 20 5 EGBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H]1CCCc1ccccc1 ZINC000362965210 457178090 /nfs/dbraw/zinc/17/80/90/457178090.db2.gz AKUOXFOXSLJVRM-MRXNPFEDSA-N 1 0 328.416 3.316 20 5 EGBDRO C[C@H](CNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)[N@@H+]1CCCC[C@@H]1C ZINC000339744035 457244789 /nfs/dbraw/zinc/24/47/89/457244789.db2.gz AWNQPVCAEFDPQA-ZNMIVQPWSA-N 1 0 348.447 3.218 20 5 EGBDRO Cc1c(C[NH2+][C@@H]2CC[C@@H](C)C[C@@H]2n2cncn2)cccc1[N+](=O)[O-] ZINC000331988795 457284843 /nfs/dbraw/zinc/28/48/43/457284843.db2.gz AMJPHMGKGNZDDF-VMGRFDJRSA-N 1 0 329.404 3.014 20 5 EGBDRO C[C@H](C1CCC1)[N@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000357042135 457294313 /nfs/dbraw/zinc/29/43/13/457294313.db2.gz RNQUKCAGEHXALY-SNVBAGLBSA-N 1 0 325.796 3.307 20 5 EGBDRO C[C@H]1C[C@@H](C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CCO1 ZINC000332153665 457315381 /nfs/dbraw/zinc/31/53/81/457315381.db2.gz WICHOJFPUSSWOO-GJZGRUSLSA-N 1 0 334.416 3.253 20 5 EGBDRO C[NH+](C)CCN(CC1CCCCC1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000347259056 457316238 /nfs/dbraw/zinc/31/62/38/457316238.db2.gz WQEZKLXLIPWJAP-UHFFFAOYSA-N 1 0 333.432 3.179 20 5 EGBDRO Cc1cc(C(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000347314237 457348190 /nfs/dbraw/zinc/34/81/90/457348190.db2.gz IQWHPHVAADXCOS-ACJLOTCBSA-N 1 0 333.432 3.144 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000347327091 457354552 /nfs/dbraw/zinc/35/45/52/457354552.db2.gz XGWWSGIBFBOMTA-WMLDXEAASA-N 1 0 333.432 3.052 20 5 EGBDRO C[NH+](C)CCN(C(=O)c1cc2cc([N+](=O)[O-])ccc2o1)C1CCCC1 ZINC000355340702 457360280 /nfs/dbraw/zinc/36/02/80/457360280.db2.gz GVEVRASOKCBHSU-UHFFFAOYSA-N 1 0 345.399 3.287 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(N[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000360863502 457390497 /nfs/dbraw/zinc/39/04/97/457390497.db2.gz DALUZMXAJQLNGS-BBRMVZONSA-N 1 0 326.400 3.231 20 5 EGBDRO CO[C@H]1CCC[N@@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000363679051 457413176 /nfs/dbraw/zinc/41/31/76/457413176.db2.gz UXSKEOJTRIRKSK-DOMZBBRYSA-N 1 0 346.387 3.207 20 5 EGBDRO COc1ccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1NC(C)=O ZINC000360942793 457451958 /nfs/dbraw/zinc/45/19/58/457451958.db2.gz QWRUCJHVMKPHSW-LBPRGKRZSA-N 1 0 343.383 3.413 20 5 EGBDRO Cn1cnc([N+](=O)[O-])c1S[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000425286726 457482093 /nfs/dbraw/zinc/48/20/93/457482093.db2.gz UWNWMNIQBJXRRL-CQSZACIVSA-N 1 0 332.429 3.085 20 5 EGBDRO CC[C@@H]([NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000425430868 457552244 /nfs/dbraw/zinc/55/22/44/457552244.db2.gz GRSSQYHMJWWSPP-TZMCWYRMSA-N 1 0 343.221 3.405 20 5 EGBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[C@H]1OC ZINC000361156845 457619007 /nfs/dbraw/zinc/61/90/07/457619007.db2.gz YVZLLXCPWDDEOR-CGTJXYLNSA-N 1 0 346.383 3.137 20 5 EGBDRO C[C@@H]1CN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)[C@@H](C)C[N@@H+]1C ZINC000361156868 457619084 /nfs/dbraw/zinc/61/90/84/457619084.db2.gz ZAKVYZTYBGZCKG-KGLIPLIRSA-N 1 0 329.400 3.379 20 5 EGBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[C@@H]1OC ZINC000361156846 457619186 /nfs/dbraw/zinc/61/91/86/457619186.db2.gz YVZLLXCPWDDEOR-JQHSSLGASA-N 1 0 346.383 3.137 20 5 EGBDRO CC1CC[NH+](CCCNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000357625150 457630373 /nfs/dbraw/zinc/63/03/73/457630373.db2.gz HRWVEGFTCWPUPM-UHFFFAOYSA-N 1 0 345.399 3.193 20 5 EGBDRO CN(c1ccccc1)c1ccc(C[NH2+]C[C@@H](O)C2CC2)cc1[N+](=O)[O-] ZINC000357760852 457681024 /nfs/dbraw/zinc/68/10/24/457681024.db2.gz JBNUARHDVIUNJC-LJQANCHMSA-N 1 0 341.411 3.223 20 5 EGBDRO CC[C@H]([NH2+][C@H]1CC(=O)N(c2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000357790215 457690506 /nfs/dbraw/zinc/69/05/06/457690506.db2.gz BHUMPEMMZKSQRQ-YJBOKZPZSA-N 1 0 339.395 3.441 20 5 EGBDRO CC[N@H+](CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])CC1CCC1 ZINC000361486230 457747681 /nfs/dbraw/zinc/74/76/81/457747681.db2.gz QUZPLUIHPIDWBH-UHFFFAOYSA-N 1 0 335.404 3.054 20 5 EGBDRO CC(C)c1ncc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)s1 ZINC000425992464 457756350 /nfs/dbraw/zinc/75/63/50/457756350.db2.gz DMUVXBVRYZTLPP-UHFFFAOYSA-N 1 0 335.433 3.208 20 5 EGBDRO CN(C)[C@@]1(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CCSC1 ZINC000433307152 457805180 /nfs/dbraw/zinc/80/51/80/457805180.db2.gz UQXCSMIQBRVZDB-FUHWJXTLSA-N 1 0 349.500 3.344 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@H]3CCO[C@@H]3C3CC3)cs2)c1 ZINC000371221930 457829746 /nfs/dbraw/zinc/82/97/46/457829746.db2.gz ZQXOQKWONDIDDP-JKSUJKDBSA-N 1 0 345.424 3.375 20 5 EGBDRO O=C(N[C@H]1CC12CC[NH2+]CC2)c1cc2ccccc2c2cccnc12 ZINC000366558631 457852394 /nfs/dbraw/zinc/85/23/94/457852394.db2.gz WLDKLYXLNJPUFK-SFHVURJKSA-N 1 0 331.419 3.260 20 5 EGBDRO COc1ccc(NC(=O)CC[N@@H+]2C[C@H](C)CC2(C)C)c([N+](=O)[O-])c1 ZINC000411308841 457856294 /nfs/dbraw/zinc/85/62/94/457856294.db2.gz PMSDGVJUOWVXLR-GFCCVEGCSA-N 1 0 335.404 3.052 20 5 EGBDRO O=[N+]([O-])c1ccc(OCC[NH+]2CCC(F)(c3cccnc3)CC2)cc1 ZINC000375360928 457896864 /nfs/dbraw/zinc/89/68/64/457896864.db2.gz KGDILKXRZLGYGN-UHFFFAOYSA-N 1 0 345.374 3.329 20 5 EGBDRO CC[C@@H]1CCCC[C@@H]1[NH2+]CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000411546063 457916500 /nfs/dbraw/zinc/91/65/00/457916500.db2.gz ACGAWQZMDFRQPR-HIFRSBDPSA-N 1 0 349.431 3.490 20 5 EGBDRO CCC1(CC)[C@@H](OC)C[C@@H]1[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444667637 457933573 /nfs/dbraw/zinc/93/35/73/457933573.db2.gz YOXSABCFOIHRPL-HOTGVXAUSA-N 1 0 346.431 3.497 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2ccc(CN3CC[C@H]4[NH2+]CC[C@@H]4C3)o2)c1 ZINC000427132940 457946593 /nfs/dbraw/zinc/94/65/93/457946593.db2.gz IVBSJFBHQYDPNG-RHSMWYFYSA-N 1 0 327.384 3.039 20 5 EGBDRO Cc1noc(C2(C)CC[NH+](Cc3cccc([N+](=O)[O-])c3C)CC2)n1 ZINC000371572458 457993189 /nfs/dbraw/zinc/99/31/89/457993189.db2.gz HHAWLLAYNRGDJX-UHFFFAOYSA-N 1 0 330.388 3.148 20 5 EGBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCSC(C)(C)CC1 ZINC000434698232 458037763 /nfs/dbraw/zinc/03/77/63/458037763.db2.gz UOTXUMMVIWZJAX-GFCCVEGCSA-N 1 0 337.445 3.139 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H]1C1CCCC1 ZINC000434706089 458039304 /nfs/dbraw/zinc/03/93/04/458039304.db2.gz LTCKXCFIMOFMLR-KRWDZBQOSA-N 1 0 331.416 3.496 20 5 EGBDRO Cc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000435250863 458110265 /nfs/dbraw/zinc/11/02/65/458110265.db2.gz ZWJDVQBFJQNABZ-UHFFFAOYSA-N 1 0 325.412 3.221 20 5 EGBDRO CN(Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CCC[NH2+]CC1 ZINC000435431636 458144498 /nfs/dbraw/zinc/14/44/98/458144498.db2.gz JQZIESXOYAEHPI-HNNXBMFYSA-N 1 0 346.456 3.292 20 5 EGBDRO Cn1cc(C[N@@H+]2CC[C@@H]3CCC[C@@H]32)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000428464002 458149061 /nfs/dbraw/zinc/14/90/61/458149061.db2.gz WVIYGKKIFQKOQA-GUYCJALGSA-N 1 0 326.400 3.370 20 5 EGBDRO Cn1nccc1[C@H]1CCC[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000376080657 458187964 /nfs/dbraw/zinc/18/79/64/458187964.db2.gz JMOLSRSEZXXANP-JKSUJKDBSA-N 1 0 328.416 3.187 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(N2CC[NH+](CCc3cccs3)CC2)c1 ZINC000446891074 458242740 /nfs/dbraw/zinc/24/27/40/458242740.db2.gz TVDBMMFGYZOQSE-UHFFFAOYSA-N 1 0 331.441 3.329 20 5 EGBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000429027561 458260030 /nfs/dbraw/zinc/26/00/30/458260030.db2.gz MLPHLMGIKXBACZ-IIYDPXPESA-N 1 0 337.851 3.410 20 5 EGBDRO COc1cccc(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000447512110 458302281 /nfs/dbraw/zinc/30/22/81/458302281.db2.gz XCNDBKBJSHJDAA-HZPDHXFCSA-N 1 0 330.388 3.073 20 5 EGBDRO Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)C1 ZINC000448025480 458379760 /nfs/dbraw/zinc/37/97/60/458379760.db2.gz DJAVIVGEIZQTBX-HZPDHXFCSA-N 1 0 328.416 3.187 20 5 EGBDRO Cc1cccc([C@@H](C)[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)c1 ZINC000459512342 458395749 /nfs/dbraw/zinc/39/57/49/458395749.db2.gz QPYATLSRCZWLBB-OAHLLOKOSA-N 1 0 326.400 3.181 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000423598961 458461290 /nfs/dbraw/zinc/46/12/90/458461290.db2.gz WOZVJDGTISJPKQ-UHFFFAOYSA-N 1 0 339.395 3.053 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1ccc(CN2C[C@H]3CCC[C@@H](C2)[NH2+]3)o1 ZINC000438016557 458521858 /nfs/dbraw/zinc/52/18/58/458521858.db2.gz YDRMPHNVJMPDLE-OKILXGFUSA-N 1 0 327.384 3.181 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H](C)c1nnc2ccccn21 ZINC000468640068 458529115 /nfs/dbraw/zinc/52/91/15/458529115.db2.gz HZSQRJNKWLSRJX-QLKUMGTLSA-N 1 0 337.383 3.392 20 5 EGBDRO CN(C(=O)c1csc([N+](=O)[O-])c1)C(C)(C)C[NH+]1CCCCCC1 ZINC000494040260 458617719 /nfs/dbraw/zinc/61/77/19/458617719.db2.gz WZXFKQJSJWBWMP-UHFFFAOYSA-N 1 0 339.461 3.383 20 5 EGBDRO Cc1cnc(N2CC[N@H+](Cc3ccccc3)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000463052588 458674055 /nfs/dbraw/zinc/67/40/55/458674055.db2.gz HBDMLTNTZSRPIF-UHFFFAOYSA-N 1 0 340.427 3.399 20 5 EGBDRO CC(C)c1ccc(C(=O)NCCC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000439252074 458675687 /nfs/dbraw/zinc/67/56/87/458675687.db2.gz PICVEWSNVNOQLL-UHFFFAOYSA-N 1 0 333.432 3.324 20 5 EGBDRO C[C@@H]1CN(c2ccnc3c2cccc3[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000432142330 458688577 /nfs/dbraw/zinc/68/85/77/458688577.db2.gz DNOLRJLJNXQQMS-AWEZNQCLSA-N 1 0 340.427 3.454 20 5 EGBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1ccnc2c1cccc2[N+](=O)[O-] ZINC000432158531 458692860 /nfs/dbraw/zinc/69/28/60/458692860.db2.gz WNLPDONBOZAWKF-KGLIPLIRSA-N 1 0 326.400 3.206 20 5 EGBDRO C[C@H](Nc1ccc([N+](=O)[O-])cc1Br)C1=CC[N@H+](C)CC1 ZINC000503571871 458716377 /nfs/dbraw/zinc/71/63/77/458716377.db2.gz CEFNYHOCHISLAX-JTQLQIEISA-N 1 0 340.221 3.420 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CNC(C)(C)c1cnn(C)c1 ZINC000547413334 458735293 /nfs/dbraw/zinc/73/52/93/458735293.db2.gz LOYCYNFHKDJGHN-UHFFFAOYSA-N 1 0 332.404 3.140 20 5 EGBDRO CCc1ccc(C(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000471821173 458737919 /nfs/dbraw/zinc/73/79/19/458737919.db2.gz JPGXUOMBBPUIBM-KBPBESRZSA-N 1 0 333.432 3.007 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCC[N@H+]2CC(C)C)c1 ZINC000439698212 458742046 /nfs/dbraw/zinc/74/20/46/458742046.db2.gz XGXIZXDVYCFCOG-HNNXBMFYSA-N 1 0 333.432 3.144 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000530394746 458759779 /nfs/dbraw/zinc/75/97/79/458759779.db2.gz VCBHECMTPNTYNP-AWEZNQCLSA-N 1 0 334.420 3.063 20 5 EGBDRO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000473353399 458824895 /nfs/dbraw/zinc/82/48/95/458824895.db2.gz VSGDAAVDCWRXGB-LBPRGKRZSA-N 1 0 335.379 3.327 20 5 EGBDRO CCC[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000466486463 458901405 /nfs/dbraw/zinc/90/14/05/458901405.db2.gz MPRWACYYZFZIQZ-KGLIPLIRSA-N 1 0 349.431 3.443 20 5 EGBDRO COc1cccc(N2CC[NH+](CCc3cccs3)CC2)c1[N+](=O)[O-] ZINC000475346273 458938087 /nfs/dbraw/zinc/93/80/87/458938087.db2.gz BVADFSJHTUWBRJ-UHFFFAOYSA-N 1 0 347.440 3.030 20 5 EGBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000467052616 458947867 /nfs/dbraw/zinc/94/78/67/458947867.db2.gz ATKFXWNXJOTTFM-BLLLJJGKSA-N 1 0 345.443 3.105 20 5 EGBDRO CC1(C)C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]2CCC[C@H]21 ZINC000577045515 458969817 /nfs/dbraw/zinc/96/98/17/458969817.db2.gz UOKSOQBKJPKQFG-HIFRSBDPSA-N 1 0 331.416 3.434 20 5 EGBDRO CC[C@H]([NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000531981181 459011261 /nfs/dbraw/zinc/01/12/61/459011261.db2.gz LORIGJWNEGSACL-GUYCJALGSA-N 1 0 349.431 3.107 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H](CO)Cc1ccco1)CCC2 ZINC000520332984 459049954 /nfs/dbraw/zinc/04/99/54/459049954.db2.gz WNGOOULJFZHMQZ-FZKQIMNGSA-N 1 0 330.384 3.006 20 5 EGBDRO C[C@H](C(=O)N(C)CC[N@H+](C)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000567207833 459063618 /nfs/dbraw/zinc/06/36/18/459063618.db2.gz DCIKXYONOOWMRH-HNNXBMFYSA-N 1 0 347.459 3.421 20 5 EGBDRO Cc1c(NC(=O)[C@@H](C)[NH+]2CCC(C3CC3)CC2)cccc1[N+](=O)[O-] ZINC000590008126 459066869 /nfs/dbraw/zinc/06/68/69/459066869.db2.gz GBEPKGMGFTXJHN-CYBMUJFWSA-N 1 0 331.416 3.352 20 5 EGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](C)C(=O)OC(C)(C)C ZINC000594511649 459069753 /nfs/dbraw/zinc/06/97/53/459069753.db2.gz FUUYXYXYGYNUHZ-UONOGXRCSA-N 1 0 336.432 3.483 20 5 EGBDRO C[C@@H]([NH2+][C@H]1CCc2ccccc2NC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000594511787 459069883 /nfs/dbraw/zinc/06/98/83/459069883.db2.gz PGOZSHWSYNZFKM-PXAZEXFGSA-N 1 0 325.368 3.199 20 5 EGBDRO CC[C@H](C)[C@H](C)[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000520608503 459078458 /nfs/dbraw/zinc/07/84/58/459078458.db2.gz ITPSIECDZXSRDY-ZQIUZPCESA-N 1 0 336.432 3.234 20 5 EGBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@@H]3Cc4[nH]c5ccccc5c4C3)nc2c1 ZINC000443061821 459081356 /nfs/dbraw/zinc/08/13/56/459081356.db2.gz KGYKLADLYYHDEP-NSHDSACASA-N 1 0 347.378 3.209 20 5 EGBDRO COC1CCC(CC[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000577743062 459087001 /nfs/dbraw/zinc/08/70/01/459087001.db2.gz DKBZQKODIQCYNU-UHFFFAOYSA-N 1 0 349.431 3.108 20 5 EGBDRO CC(C)(C)Oc1ccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000590594060 459156012 /nfs/dbraw/zinc/15/60/12/459156012.db2.gz LNCYRUYMCCJXLR-UHFFFAOYSA-N 1 0 329.400 3.499 20 5 EGBDRO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C(C)(C)C ZINC000521557849 459161708 /nfs/dbraw/zinc/16/17/08/459161708.db2.gz WTVZLSRVXBEHQS-XHDPSFHLSA-N 1 0 337.420 3.345 20 5 EGBDRO C[S@](=O)[C@H]1CCC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000594961266 459193202 /nfs/dbraw/zinc/19/32/02/459193202.db2.gz MLHXNTGQBCYBDX-KDKPCJNHSA-N 1 0 330.837 3.028 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCCOCC(F)(F)F ZINC000595007884 459214109 /nfs/dbraw/zinc/21/41/09/459214109.db2.gz QMZFVHPKSJAYPH-SNVBAGLBSA-N 1 0 336.310 3.223 20 5 EGBDRO O=[N+]([O-])c1cccnc1N1CC[NH+](Cc2ccccc2C2CC2)CC1 ZINC000590781090 459214971 /nfs/dbraw/zinc/21/49/71/459214971.db2.gz ATZKFEIZOKGVHD-UHFFFAOYSA-N 1 0 338.411 3.189 20 5 EGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC[C@H]([S@](C)=O)C1 ZINC000595075224 459238364 /nfs/dbraw/zinc/23/83/64/459238364.db2.gz YSKYEUXBPBUMQI-PQUWFTINSA-N 1 0 338.473 3.195 20 5 EGBDRO Cc1ccc(C[NH2+][C@H](COC(N)=O)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000496576847 459245584 /nfs/dbraw/zinc/24/55/84/459245584.db2.gz DZCRTTQIPNGKMI-INIZCTEOSA-N 1 0 343.383 3.113 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC(C)(C)[C@@]1(O)CCCOC1 ZINC000595106602 459247246 /nfs/dbraw/zinc/24/72/46/459247246.db2.gz VRIJRZKDBMNUAE-RDTXWAMCSA-N 1 0 336.432 3.122 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000595232944 459259379 /nfs/dbraw/zinc/25/93/79/459259379.db2.gz FRGPMCZPRAINJC-OAHLLOKOSA-N 1 0 346.431 3.147 20 5 EGBDRO O=[N+]([O-])c1cc(F)ccc1CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000595386659 459288526 /nfs/dbraw/zinc/28/85/26/459288526.db2.gz KCQVFWHXQZEVEJ-GUYCJALGSA-N 1 0 333.407 3.183 20 5 EGBDRO Cc1noc(CN2CC[C@H](Oc3ccccc3Cl)C2)c1[N+](=O)[O-] ZINC000595398402 459290579 /nfs/dbraw/zinc/29/05/79/459290579.db2.gz VAFIQZRLRSBPCG-NSHDSACASA-N 1 0 337.763 3.198 20 5 EGBDRO Cc1noc(CN[C@@H](C[NH+]2CCCCC2)c2ccccc2)c1[N+](=O)[O-] ZINC000595424851 459296404 /nfs/dbraw/zinc/29/64/04/459296404.db2.gz HYJLBIUPWYNIIH-INIZCTEOSA-N 1 0 344.415 3.208 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000523702285 459323775 /nfs/dbraw/zinc/32/37/75/459323775.db2.gz RNGPHNYZBVCKBF-UHFFFAOYSA-N 1 0 329.375 3.099 20 5 EGBDRO CC(C)CNC(=O)CCC[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000595520747 459333439 /nfs/dbraw/zinc/33/34/39/459333439.db2.gz CYUBGFIHFXJGKV-KRWDZBQOSA-N 1 0 347.459 3.327 20 5 EGBDRO COc1cc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)sn1 ZINC000595524400 459334712 /nfs/dbraw/zinc/33/47/12/459334712.db2.gz MODDCRPSNPEIPE-ZDUSSCGKSA-N 1 0 333.413 3.440 20 5 EGBDRO CCCOc1ccc(C(C)(C)[NH2+]CCn2ccc([N+](=O)[O-])n2)cc1 ZINC000483286340 459356451 /nfs/dbraw/zinc/35/64/51/459356451.db2.gz QZZAQPICLSYJIV-UHFFFAOYSA-N 1 0 332.404 3.105 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC[C@@H]1[C@H](C)CO ZINC000595672060 459390967 /nfs/dbraw/zinc/39/09/67/459390967.db2.gz HRLQUSGSPGDDLJ-RHSMWYFYSA-N 1 0 336.432 3.365 20 5 EGBDRO C[C@@H]1CCC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H]1CCO ZINC000595697535 459401861 /nfs/dbraw/zinc/40/18/61/459401861.db2.gz LQGZGNLSGSCZHG-DYVFJYSZSA-N 1 0 345.399 3.233 20 5 EGBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000595791582 459442244 /nfs/dbraw/zinc/44/22/44/459442244.db2.gz WAQQLYIRRRUIAX-NVXWUHKLSA-N 1 0 334.416 3.255 20 5 EGBDRO CC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000595857606 459465567 /nfs/dbraw/zinc/46/55/67/459465567.db2.gz MDAJZABOIPWJIF-PHTAMDTFSA-N 1 0 328.372 3.408 20 5 EGBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cccc2c1C[NH2+]C2 ZINC000595928793 459489094 /nfs/dbraw/zinc/48/90/94/459489094.db2.gz OPTMISOTIKASRR-UHFFFAOYSA-N 1 0 339.395 3.249 20 5 EGBDRO CN(c1ccccc1)c1ccc(C[NH2+]CCOCCF)cc1[N+](=O)[O-] ZINC000596057850 459504007 /nfs/dbraw/zinc/50/40/07/459504007.db2.gz CIPAOUGRVMBSSG-UHFFFAOYSA-N 1 0 347.390 3.438 20 5 EGBDRO CCC[C@H](C)[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000486790300 459522049 /nfs/dbraw/zinc/52/20/49/459522049.db2.gz WKUYFSSSEHSNNS-LESCRADOSA-N 1 0 336.432 3.235 20 5 EGBDRO C[N@@H+]1CCC[C@H](CNc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000596121242 459527986 /nfs/dbraw/zinc/52/79/86/459527986.db2.gz YIWWVWIHYCTJNM-SNVBAGLBSA-N 1 0 328.210 3.111 20 5 EGBDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596163585 459544381 /nfs/dbraw/zinc/54/43/81/459544381.db2.gz XMSAFMZHDVHNEX-CQSZACIVSA-N 1 0 348.447 3.176 20 5 EGBDRO C[C@H]1CC2(C[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1)CCOCC2 ZINC000592182651 459545093 /nfs/dbraw/zinc/54/50/93/459545093.db2.gz NUEUZIKJCPKTEL-HNNXBMFYSA-N 1 0 334.416 3.255 20 5 EGBDRO CCCN(C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C)[C@H]1CC[N@H+](C)C1 ZINC000592252206 459560526 /nfs/dbraw/zinc/56/05/26/459560526.db2.gz XZTJNSWLRKPUAI-AWEZNQCLSA-N 1 0 334.420 3.160 20 5 EGBDRO CCOC(=O)C1(C[NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)CCC1 ZINC000527053345 459582702 /nfs/dbraw/zinc/58/27/02/459582702.db2.gz SZEUBIZFQMQEBR-GXDHUFHOSA-N 1 0 332.400 3.321 20 5 EGBDRO C[C@@H]1Oc2ccccc2[C@@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000573083748 459623199 /nfs/dbraw/zinc/62/31/99/459623199.db2.gz HNVUBSUKBHLCJX-KPZWWZAWSA-N 1 0 341.367 3.035 20 5 EGBDRO CC(C)(C)c1ccc(C(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)cc1[N+](=O)[O-] ZINC000592567947 459631280 /nfs/dbraw/zinc/63/12/80/459631280.db2.gz GJJIMDPHMRUUSM-CQSZACIVSA-N 1 0 345.443 3.297 20 5 EGBDRO O=[N+]([O-])c1cc2c(ncnc2NC[C@H]2CCC[N@H+](CC3CC3)C2)s1 ZINC000596570434 459680076 /nfs/dbraw/zinc/68/00/76/459680076.db2.gz KYTYDOJIMPIWGX-GFCCVEGCSA-N 1 0 347.444 3.133 20 5 EGBDRO CC(=O)c1cc(NC[C@H]2CCC[N@H+](CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000596571739 459681586 /nfs/dbraw/zinc/68/15/86/459681586.db2.gz ZLQSDIFPVDRUQR-OAHLLOKOSA-N 1 0 331.416 3.331 20 5 EGBDRO CCCN(C(=O)[C@@H](CC)Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@H+](C)C1 ZINC000592829555 459700771 /nfs/dbraw/zinc/70/07/71/459700771.db2.gz QNPIIWWLSMLFLN-FUHWJXTLSA-N 1 0 347.459 3.106 20 5 EGBDRO C[C@H](Cc1ccsc1)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000543986697 459716825 /nfs/dbraw/zinc/71/68/25/459716825.db2.gz GTGSJXUHXBAYKZ-CQSZACIVSA-N 1 0 331.441 3.410 20 5 EGBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC3(CCc4ccccc4C3)CC2)n1 ZINC000593038191 459750742 /nfs/dbraw/zinc/75/07/42/459750742.db2.gz WZPUIYCCZXEUBI-UHFFFAOYSA-N 1 0 340.427 3.062 20 5 EGBDRO Cc1cc(N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000584537198 459764766 /nfs/dbraw/zinc/76/47/66/459764766.db2.gz PGJBGOLSOXKWDA-QWHCGFSZSA-N 1 0 326.400 3.489 20 5 EGBDRO CCn1cc(C[N@H+](CCOc2ccccc2[N+](=O)[O-])C(C)C)cn1 ZINC000593083851 459767950 /nfs/dbraw/zinc/76/79/50/459767950.db2.gz ZKOOHNHIXZPXRZ-UHFFFAOYSA-N 1 0 332.404 3.101 20 5 EGBDRO CC[C@@H]1CN(c2ncc(C)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000544700803 459779002 /nfs/dbraw/zinc/77/90/02/459779002.db2.gz BWKGYVYNMSQIHV-QGZVFWFLSA-N 1 0 340.427 3.399 20 5 EGBDRO CCC[NH+]1CCC(N(C)c2ccc([N+](=O)[O-])c(OC(C)C)n2)CC1 ZINC000574172323 459788416 /nfs/dbraw/zinc/78/84/16/459788416.db2.gz SMPFVUSGPVMOQK-UHFFFAOYSA-N 1 0 336.436 3.088 20 5 EGBDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000598265912 459844720 /nfs/dbraw/zinc/84/47/20/459844720.db2.gz VYRWXPHVKQJRSM-GFCCVEGCSA-N 1 0 339.823 3.098 20 5 EGBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH+]1CCC2(CCC2)CC1 ZINC000586783043 459871865 /nfs/dbraw/zinc/87/18/65/459871865.db2.gz NULQAHMTBZOVHJ-UHFFFAOYSA-N 1 0 345.399 3.159 20 5 EGBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccc2[nH]c(=O)oc2c1 ZINC000586791403 459873645 /nfs/dbraw/zinc/87/36/45/459873645.db2.gz NRDXBSZRNFRQSN-NSHDSACASA-N 1 0 327.340 3.335 20 5 EGBDRO CC(=O)c1cc(N2CC[NH+](CC3CCCCC3)CC2)ccc1[N+](=O)[O-] ZINC000587528786 459893382 /nfs/dbraw/zinc/89/33/82/459893382.db2.gz TVONOGUKYHJAGV-UHFFFAOYSA-N 1 0 345.443 3.500 20 5 EGBDRO Cn1cc(C[N@H+](C)C[C@H]2CC2(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000597254919 459897817 /nfs/dbraw/zinc/89/78/17/459897817.db2.gz PWXGURMENCKDBF-OAHLLOKOSA-N 1 0 328.416 3.473 20 5 EGBDRO O=[N+]([O-])c1sccc1NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000618161102 459910808 /nfs/dbraw/zinc/91/08/08/459910808.db2.gz RWSNFJRYALTSIP-HNNXBMFYSA-N 1 0 347.440 3.225 20 5 EGBDRO O=[N+]([O-])c1ccc(CN2CCOCC2)cc1NC1CC2(CCC2)C1 ZINC000593516273 459913151 /nfs/dbraw/zinc/91/31/51/459913151.db2.gz LXMOGRVBUAYBPI-UHFFFAOYSA-N 1 0 331.416 3.172 20 5 EGBDRO Cc1cc(NC(=O)N[C@H]2CN(C)Cc3ccccc32)ccc1[N+](=O)[O-] ZINC000613776751 459929245 /nfs/dbraw/zinc/92/92/45/459929245.db2.gz XTOCWEMTDGSXBA-INIZCTEOSA-N 1 0 340.383 3.211 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCc2cc(O)ccc2C1 ZINC000618197880 459931129 /nfs/dbraw/zinc/93/11/29/459931129.db2.gz QMBQMPJNJMYOSL-INIZCTEOSA-N 1 0 342.395 3.346 20 5 EGBDRO CCc1ccc(C(=O)NCC2CC[NH+](CC3CC3)CC2)cc1[N+](=O)[O-] ZINC000598541003 459933148 /nfs/dbraw/zinc/93/31/48/459933148.db2.gz LQJWKGBXIBKMSI-UHFFFAOYSA-N 1 0 345.443 3.009 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H](CO)CCF)o2)c(Cl)c1 ZINC000593690161 459951508 /nfs/dbraw/zinc/95/15/08/459951508.db2.gz SJLKBJSIWKOHJI-SNVBAGLBSA-N 1 0 342.754 3.318 20 5 EGBDRO COC(=O)[C@@H]1C[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C[C@H]1C1CC1 ZINC000593697543 459956339 /nfs/dbraw/zinc/95/63/39/459956339.db2.gz SOJFRMIDUCXRDX-ZPYFDJLLSA-N 1 0 344.411 3.129 20 5 EGBDRO C[C@@H](CN[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F)[N@H+](C)C1CC1 ZINC000593705129 459958123 /nfs/dbraw/zinc/95/81/23/459958123.db2.gz NPJCNNNHQBRXJG-IINYFYTJSA-N 1 0 331.338 3.271 20 5 EGBDRO CC[NH+]1CCC(NCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602497590 459970138 /nfs/dbraw/zinc/97/01/38/459970138.db2.gz CLQHLHNANKZKNV-UHFFFAOYSA-N 1 0 331.338 3.188 20 5 EGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]CCc1ccccn1 ZINC000602505951 459973120 /nfs/dbraw/zinc/97/31/20/459973120.db2.gz QMUDAIZVKZPGNV-UHFFFAOYSA-N 1 0 325.290 3.341 20 5 EGBDRO O=C(CC[N@@H+]1CC[C@@H](c2ccco2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000609540360 459977206 /nfs/dbraw/zinc/97/72/06/459977206.db2.gz UEPSSVCUUPESBG-CYBMUJFWSA-N 1 0 329.356 3.006 20 5 EGBDRO Cc1ccsc1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602524232 459983949 /nfs/dbraw/zinc/98/39/49/459983949.db2.gz LWRPXTHIWQLESJ-UHFFFAOYSA-N 1 0 332.429 3.118 20 5 EGBDRO C[C@@H]1CC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1CO ZINC000598678583 459988862 /nfs/dbraw/zinc/98/88/62/459988862.db2.gz ZGNWMFCEAUHZMJ-HIFRSBDPSA-N 1 0 330.384 3.305 20 5 EGBDRO CC[C@@H](O)CCC[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602552033 459994440 /nfs/dbraw/zinc/99/44/40/459994440.db2.gz RMYBTBYYMVMEIC-MRVPVSSYSA-N 1 0 337.239 3.060 20 5 EGBDRO CC(C)[C@H]1OCCC[C@@H]1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602561749 459997461 /nfs/dbraw/zinc/99/74/61/459997461.db2.gz DYBHJHSDBWEUQX-SJKOYZFVSA-N 1 0 333.388 3.277 20 5 EGBDRO COCCC(C)(C)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602565996 459999066 /nfs/dbraw/zinc/99/90/66/459999066.db2.gz UJBMLOXJOIDFJO-UHFFFAOYSA-N 1 0 337.239 3.324 20 5 EGBDRO CN(C[C@@H]1CCC[N@H+](C)C1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000609670911 460006166 /nfs/dbraw/zinc/00/61/66/460006166.db2.gz RTLRJQAABSYGOZ-LLVKDONJSA-N 1 0 342.237 3.135 20 5 EGBDRO C[C@H]1C[C@@H]([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CCO1 ZINC000602577116 460006406 /nfs/dbraw/zinc/00/64/06/460006406.db2.gz RYSQJLJOCDBMEI-YUMQZZPRSA-N 1 0 335.223 3.076 20 5 EGBDRO C[C@H](CCNCc1nc2cc([N+](=O)[O-])ccc2o1)[NH+]1CCCCC1 ZINC000602606177 460018954 /nfs/dbraw/zinc/01/89/54/460018954.db2.gz BKTQIOXZQFMXPN-CYBMUJFWSA-N 1 0 332.404 3.090 20 5 EGBDRO CC[NH2+]CCCNC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000575866982 460020039 /nfs/dbraw/zinc/02/00/39/460020039.db2.gz WVQVMNLZRMKGMA-UHFFFAOYSA-N 1 0 343.383 3.117 20 5 EGBDRO O=[N+]([O-])c1sc(C[NH2+][C@@H]2CCC[C@@H]2CCO)cc1Br ZINC000602626576 460030443 /nfs/dbraw/zinc/03/04/43/460030443.db2.gz ZQUBMZCIGWTZRZ-LDYMZIIASA-N 1 0 349.250 3.060 20 5 EGBDRO O=[N+]([O-])c1sc(C[NH2+][C@@H](CO)CC2CCC2)cc1Br ZINC000602639174 460035985 /nfs/dbraw/zinc/03/59/85/460035985.db2.gz VMZPXQAZJPGBNY-SECBINFHSA-N 1 0 349.250 3.060 20 5 EGBDRO Cc1cscc1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602637998 460036574 /nfs/dbraw/zinc/03/65/74/460036574.db2.gz AUELRGOTRFPPGJ-UHFFFAOYSA-N 1 0 332.429 3.118 20 5 EGBDRO COc1ccc([C@@H](CN(C)C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000602654714 460045007 /nfs/dbraw/zinc/04/50/07/460045007.db2.gz RSFPPFIQQRJYFP-LJQANCHMSA-N 1 0 343.427 3.038 20 5 EGBDRO CCO[C@H]1C[C@@H]([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602689257 460066245 /nfs/dbraw/zinc/06/62/45/460066245.db2.gz BAIRDQHBIWONKG-OCAPTIKFSA-N 1 0 335.223 3.076 20 5 EGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@H+]1CC[C@H](CCCO)C1 ZINC000602687698 460067285 /nfs/dbraw/zinc/06/72/85/460067285.db2.gz YTPVOYNUHMQMHS-NSHDSACASA-N 1 0 332.322 3.208 20 5 EGBDRO C[C@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@]1(C)CO ZINC000602723779 460085989 /nfs/dbraw/zinc/08/59/89/460085989.db2.gz SYAQCNCVODRFJF-IINYFYTJSA-N 1 0 332.322 3.064 20 5 EGBDRO Cc1ccc(NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000598954071 460100680 /nfs/dbraw/zinc/10/06/80/460100680.db2.gz MECXBMLPDFFFBB-SJORKVTESA-N 1 0 339.395 3.187 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](C)c1ccc(OC(C)C)cc1 ZINC000602801270 460132776 /nfs/dbraw/zinc/13/27/76/460132776.db2.gz MPXJFEFUTAOEIZ-ZDUSSCGKSA-N 1 0 332.404 3.238 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594197397 460145112 /nfs/dbraw/zinc/14/51/12/460145112.db2.gz NOEHHKRNWXZSEX-HOTGVXAUSA-N 1 0 345.443 3.267 20 5 EGBDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000610433331 460151192 /nfs/dbraw/zinc/15/11/92/460151192.db2.gz BFIXBPIBQYIFAL-HXUWFJFHSA-N 1 0 339.439 3.344 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2Cc3ccccc3NC2=O)cc1[N+](=O)[O-] ZINC000599073464 460151605 /nfs/dbraw/zinc/15/16/05/460151605.db2.gz DRCOOCQGLOPWAK-WBMJQRKESA-N 1 0 325.368 3.117 20 5 EGBDRO CC[C@H](c1ccccc1OC)[N@H+](C)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602834664 460152974 /nfs/dbraw/zinc/15/29/74/460152974.db2.gz VTLURYASPBTFMI-OAHLLOKOSA-N 1 0 332.404 3.191 20 5 EGBDRO CN(CC[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])CC(F)F ZINC000599088155 460157735 /nfs/dbraw/zinc/15/77/35/460157735.db2.gz ARBMNFUCVFXGRU-ZFWWWQNUSA-N 1 0 341.402 3.093 20 5 EGBDRO Cc1ccc(C[C@H]2CCC[N@H+](CCn3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000576519569 460158364 /nfs/dbraw/zinc/15/83/64/460158364.db2.gz JRODYFMNKYFLHX-QGZVFWFLSA-N 1 0 328.416 3.054 20 5 EGBDRO CC(C)C[N@@H+](CCc1ccc(F)cc1)CCn1ccc([N+](=O)[O-])n1 ZINC000610484994 460162685 /nfs/dbraw/zinc/16/26/85/460162685.db2.gz BSMNRTKFXHCIFQ-UHFFFAOYSA-N 1 0 334.395 3.131 20 5 EGBDRO CCC(C)(C)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000594389770 460203901 /nfs/dbraw/zinc/20/39/01/460203901.db2.gz MUZUFOMLJNZCRD-UHFFFAOYSA-N 1 0 339.823 3.195 20 5 EGBDRO Cc1ccc([C@H](C)NC(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)cc1[N+](=O)[O-] ZINC000610644681 460204586 /nfs/dbraw/zinc/20/45/86/460204586.db2.gz IQBSWGPLZJEMHK-GOEBONIOSA-N 1 0 348.447 3.136 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000610661360 460206836 /nfs/dbraw/zinc/20/68/36/460206836.db2.gz ZVGLSBAIUWTEEE-CQSZACIVSA-N 1 0 334.420 3.206 20 5 EGBDRO CC1(C)CC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCS1 ZINC000619077095 460262924 /nfs/dbraw/zinc/26/29/24/460262924.db2.gz BOYORYGXZFJBNE-UHFFFAOYSA-N 1 0 338.429 3.084 20 5 EGBDRO C[C@@H]1C[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H](C)C1(F)F ZINC000599512342 460264811 /nfs/dbraw/zinc/26/48/11/460264811.db2.gz IOUJOGVNMAAWHW-VXGBXAGGSA-N 1 0 341.358 3.147 20 5 EGBDRO C[C@H]1C[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H](C)C1(F)F ZINC000599512340 460265319 /nfs/dbraw/zinc/26/53/19/460265319.db2.gz IOUJOGVNMAAWHW-RYUDHWBXSA-N 1 0 341.358 3.147 20 5 EGBDRO C[N@H+](Cc1cn(Cc2ccc([N+](=O)[O-])cc2F)nn1)C1CCCCC1 ZINC000603224224 460267495 /nfs/dbraw/zinc/26/74/95/460267495.db2.gz NTGJSQSQZHPIRX-UHFFFAOYSA-N 1 0 347.394 3.138 20 5 EGBDRO CC[N@@H+]1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@H]1C ZINC000611271204 460323992 /nfs/dbraw/zinc/32/39/92/460323992.db2.gz YLNHILGSMLCKGV-CYBMUJFWSA-N 1 0 346.456 3.244 20 5 EGBDRO O=[N+]([O-])c1sccc1NCC1([NH+]2CCSCC2)CCCC1 ZINC000604432670 460425812 /nfs/dbraw/zinc/42/58/12/460425812.db2.gz MHUINYXBKJYZLU-UHFFFAOYSA-N 1 0 327.475 3.430 20 5 EGBDRO C[C@H]1CCCC[N@@H+]1CCCCNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611700114 460431502 /nfs/dbraw/zinc/43/15/02/460431502.db2.gz CZDBBSGOMDJDEC-AWEZNQCLSA-N 1 0 343.431 3.026 20 5 EGBDRO C[N@@H+]1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)[C@@H](c2ccccc2)C1 ZINC000611699812 460431725 /nfs/dbraw/zinc/43/17/25/460431725.db2.gz HIKITMRFQFNGMK-GOSISDBHSA-N 1 0 349.394 3.031 20 5 EGBDRO Cc1ccncc1[C@H](C)[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000611938405 460491692 /nfs/dbraw/zinc/49/16/92/460491692.db2.gz DZNBUYJOJSNHPJ-NSHDSACASA-N 1 0 348.790 3.241 20 5 EGBDRO C[N@@H+]1CCCC12CCN(C(=O)c1cc3cc([N+](=O)[O-])ccc3o1)CC2 ZINC000612850071 460751683 /nfs/dbraw/zinc/75/16/83/460751683.db2.gz JWAKTLZBJDXKHJ-UHFFFAOYSA-N 1 0 343.383 3.041 20 5 EGBDRO Cc1ncc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])s1 ZINC000601936300 460950853 /nfs/dbraw/zinc/95/08/53/460950853.db2.gz RWBFHAGDPFYLLE-UWVGGRQHSA-N 1 0 334.401 3.038 20 5 EGBDRO C[C@H](CCNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000184886670 533930199 /nfs/dbraw/zinc/93/01/99/533930199.db2.gz ZMLOVQSLGIFACI-CABCVRRESA-N 1 0 348.447 3.220 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000163682131 534334117 /nfs/dbraw/zinc/33/41/17/534334117.db2.gz DZHKPMQJYPRPAT-HNNXBMFYSA-N 1 0 333.432 3.001 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+]CCNC(=O)CC2CCCC2)cc1[N+](=O)[O-] ZINC000153651101 518189630 /nfs/dbraw/zinc/18/96/30/518189630.db2.gz GQIBMNILDNXJOR-CQSZACIVSA-N 1 0 333.432 3.250 20 5 EGBDRO CC(=O)c1ccc(NCC[N@@H+](C)Cc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000351864815 534868638 /nfs/dbraw/zinc/86/86/38/534868638.db2.gz ZKCOZTIYPFJXMF-UHFFFAOYSA-N 1 0 345.374 3.480 20 5 EGBDRO CCN(C)C(=O)C[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000186809672 527727382 /nfs/dbraw/zinc/72/73/82/527727382.db2.gz RSNTUGTZFDBQAN-GFCCVEGCSA-N 1 0 347.440 3.452 20 5 EGBDRO COC[C@@H](C)[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000354695066 536550725 /nfs/dbraw/zinc/55/07/25/536550725.db2.gz PMJDXUSZQLHPHU-CQSZACIVSA-N 1 0 329.400 3.487 20 5 EGBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000266209177 536403116 /nfs/dbraw/zinc/40/31/16/536403116.db2.gz XJEKGJFEVHFBNZ-AWEZNQCLSA-N 1 0 345.399 3.287 20 5 EGBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000266079906 536403581 /nfs/dbraw/zinc/40/35/81/536403581.db2.gz DIAWUFHGUHCWSZ-AWEZNQCLSA-N 1 0 344.415 3.023 20 5 EGBDRO O=[N+]([O-])c1ccc2nc(N3CCC[C@@H]([NH+]4CCCC4)C3)sc2c1 ZINC000729633099 574875181 /nfs/dbraw/zinc/87/51/81/574875181.db2.gz JGQGVAFWRCTZDR-CYBMUJFWSA-N 1 0 332.429 3.269 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]Cc2ccc(OC(F)F)cc2)cc1 ZINC000731678942 575199552 /nfs/dbraw/zinc/19/95/52/575199552.db2.gz SZQYWLNACXVVRN-HNNXBMFYSA-N 1 0 338.310 3.019 20 5 EGBDRO CCO[C@@H]1C[C@@H]([N@H+](C)Cn2ncc3ccc([N+](=O)[O-])cc32)C1(C)C ZINC000740862019 576630785 /nfs/dbraw/zinc/63/07/85/576630785.db2.gz UYMHOLXRGSFASM-HZPDHXFCSA-N 1 0 332.404 3.037 20 5 EGBDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1 ZINC000742422922 576782662 /nfs/dbraw/zinc/78/26/62/576782662.db2.gz BAJDGWDCCRJTRX-INIZCTEOSA-N 1 0 329.375 3.445 20 5 EGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](N2CCCCC2=O)C1 ZINC000743848592 576816813 /nfs/dbraw/zinc/81/68/13/576816813.db2.gz TZZIFUWWFJNCGR-LSDHHAIUSA-N 1 0 331.416 3.133 20 5 EGBDRO CN(C[C@H]1CCC[N@@H+]1Cc1ccccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000743866885 576817637 /nfs/dbraw/zinc/81/76/37/576817637.db2.gz PCLZHCMIYFBGHQ-OAHLLOKOSA-N 1 0 349.431 3.426 20 5 EGBDRO C[NH+](C)CCN(C(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccccc1 ZINC000063829545 1292025471 /nfs/dbraw/zinc/02/54/71/1292025471.db2.gz OAPNKWGOJPTOPX-UHFFFAOYSA-N 1 0 347.802 3.457 20 5 EGBDRO C[C@H]1CCC[N@H+](CCCCNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000068127110 1292186685 /nfs/dbraw/zinc/18/66/85/1292186685.db2.gz OHGZMBZTFDWVFP-KXKDPZRNSA-N 1 0 345.443 3.236 20 5 EGBDRO C[N@H+](CC1CCCCC1)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000075666235 1292403927 /nfs/dbraw/zinc/40/39/27/1292403927.db2.gz IXZCVUMDYIVPHN-UHFFFAOYSA-N 1 0 329.404 3.323 20 5 EGBDRO CN(C)c1cc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)ccn1 ZINC000831539175 1292880860 /nfs/dbraw/zinc/88/08/60/1292880860.db2.gz OCAFPEWCHWPCHO-KRWDZBQOSA-N 1 0 340.427 3.435 20 5 EGBDRO O=C1O[C@H](C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CC12CCC2 ZINC000831538788 1292881000 /nfs/dbraw/zinc/88/10/00/1292881000.db2.gz ISECBOAQAXWCAO-RDJZCZTQSA-N 1 0 344.411 3.260 20 5 EGBDRO C[C@H](CNC(=O)OC(C)(C)C)[N@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000093360104 1292918715 /nfs/dbraw/zinc/91/87/15/1292918715.db2.gz UYTQJXOFCUXXSX-QSYFUGGGSA-N 1 0 349.431 3.453 20 5 EGBDRO CCC[N@H+](CCc1cccc(F)c1)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000113246700 1293144985 /nfs/dbraw/zinc/14/49/85/1293144985.db2.gz UAPNEDSULPBMEV-UHFFFAOYSA-N 1 0 334.395 3.459 20 5 EGBDRO CO[C@H](C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)Cc1ccccc1 ZINC000834855593 1293157606 /nfs/dbraw/zinc/15/76/06/1293157606.db2.gz BKPZRYWKZTUCGW-CJNGLKHVSA-N 1 0 329.400 3.085 20 5 EGBDRO CO[C@@H](C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)Cc1ccccc1 ZINC000834855598 1293158066 /nfs/dbraw/zinc/15/80/66/1293158066.db2.gz BKPZRYWKZTUCGW-XJKSGUPXSA-N 1 0 329.400 3.085 20 5 EGBDRO C[C@H]([NH2+][C@@H]1CCO[C@H](c2ccncc2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834891703 1293165569 /nfs/dbraw/zinc/16/55/69/1293165569.db2.gz JMJCQRYYVRPJKB-PNPHSEOMSA-N 1 0 342.399 3.143 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@@H]3Cc4ccccc43)CC2)cc1 ZINC000121688804 1293384718 /nfs/dbraw/zinc/38/47/18/1293384718.db2.gz UXBGFKDNMPYCNV-INIZCTEOSA-N 1 0 337.423 3.493 20 5 EGBDRO COc1ccc([C@H](CCO)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000128594387 1293598410 /nfs/dbraw/zinc/59/84/10/1293598410.db2.gz KDLSUXBWKMDQPM-KRWDZBQOSA-N 1 0 330.384 3.125 20 5 EGBDRO O=[N+]([O-])c1ccc(C[N@@H+](C[C@H](O)c2cccc(F)c2)C2CC2)cc1 ZINC000130845957 1293671200 /nfs/dbraw/zinc/67/12/00/1293671200.db2.gz QJFLYLVBBRXDSZ-SFHVURJKSA-N 1 0 330.359 3.432 20 5 EGBDRO C[NH+](C)[C@@H](CNc1nc2ccccn2c1[N+](=O)[O-])c1cccs1 ZINC000137647828 1293830614 /nfs/dbraw/zinc/83/06/14/1293830614.db2.gz LTGLCFHIIGDYAU-NSHDSACASA-N 1 0 331.401 3.019 20 5 EGBDRO C[C@@H]1C[C@H](Nc2cc(Br)ccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000156201452 1294131746 /nfs/dbraw/zinc/13/17/46/1294131746.db2.gz FJQQCWZKHYKXEX-MWLCHTKSSA-N 1 0 328.210 3.252 20 5 EGBDRO C[C@H]([NH3+])[C@@H]1CCCCN1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000157887101 1294189766 /nfs/dbraw/zinc/18/97/66/1294189766.db2.gz DGMWSWWSNWODDH-GWCFXTLKSA-N 1 0 342.237 3.059 20 5 EGBDRO NC(=O)CCN(Cc1ccccc1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000172174314 1294429415 /nfs/dbraw/zinc/42/94/15/1294429415.db2.gz PBYVYJHKOWVOLY-UHFFFAOYSA-N 1 0 347.802 3.126 20 5 EGBDRO O=[N+]([O-])c1ccc2c(cnn2C[N@@H+]2CCS[C@H]3CCCC[C@@H]32)c1 ZINC000176826639 1294636793 /nfs/dbraw/zinc/63/67/93/1294636793.db2.gz POLCMZIJOTWJET-HOTGVXAUSA-N 1 0 332.429 3.262 20 5 EGBDRO Cc1ccc(N2CC[C@@H]([NH2+][C@H](C)c3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000178658812 1294748786 /nfs/dbraw/zinc/74/87/86/1294748786.db2.gz SGGJDEOXASRESK-RDTXWAMCSA-N 1 0 339.395 3.359 20 5 EGBDRO C[NH+](C)[C@@H](CNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000210295485 1296101574 /nfs/dbraw/zinc/10/15/74/1296101574.db2.gz GDAJGNUKHDWWCO-GFBZKKKVSA-N 1 0 339.395 3.027 20 5 EGBDRO Cc1cc(C(=O)NC[C@@H]([NH3+])c2ccc(C(C)C)cc2)cc([N+](=O)[O-])c1 ZINC000236774330 1296202474 /nfs/dbraw/zinc/20/24/74/1296202474.db2.gz GWGKBWYMRXRKHH-GOSISDBHSA-N 1 0 341.411 3.456 20 5 EGBDRO C[N@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)[C@@H]1CCCC[C@H]1O ZINC000252931714 1296463231 /nfs/dbraw/zinc/46/32/31/1296463231.db2.gz UTXIWQRKFXDPHU-TZMCWYRMSA-N 1 0 343.221 3.093 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2nc(C3C[C@H]4CC[C@@H](C3)[NH2+]4)no2)c(Cl)c1 ZINC000871792945 1296535339 /nfs/dbraw/zinc/53/53/39/1296535339.db2.gz SXGALUIMCCPTJD-PBINXNQUSA-N 1 0 334.763 3.296 20 5 EGBDRO C[NH+](C)CC[C@H](NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000255520236 1296542867 /nfs/dbraw/zinc/54/28/67/1296542867.db2.gz VZEYGGDXBXVLNT-CLOOOTJHSA-N 1 0 333.432 3.091 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1ccc(C)n(C)c1=O ZINC000872068081 1296715080 /nfs/dbraw/zinc/71/50/80/1296715080.db2.gz VJQABCGAMSGLKD-GFCCVEGCSA-N 1 0 347.440 3.175 20 5 EGBDRO CC(C)(C)OC(=O)NC(C)(C)CC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000310142199 1297091893 /nfs/dbraw/zinc/09/18/93/1297091893.db2.gz KMUGWPMYAOUHEC-UHFFFAOYSA-N 1 0 337.420 3.378 20 5 EGBDRO C[C@H]1[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CCCN1C(=O)OC(C)(C)C ZINC000310816837 1297101713 /nfs/dbraw/zinc/10/17/13/1297101713.db2.gz FARZJCWXUNHKTG-ZFWWWQNUSA-N 1 0 349.431 3.472 20 5 EGBDRO C[C@H](C[N@H+](C)Cc1ccccc1)Nc1ccc([N+](=O)[O-])c2nonc21 ZINC000310965068 1297104400 /nfs/dbraw/zinc/10/44/00/1297104400.db2.gz BCIUWKKWSVSVMO-GFCCVEGCSA-N 1 0 341.371 3.063 20 5 EGBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)[C@]12CCCO2 ZINC000873105140 1297274976 /nfs/dbraw/zinc/27/49/76/1297274976.db2.gz SJJPVMBHLGQJGM-RCCFBDPRSA-N 1 0 334.416 3.028 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H](CO)c1ccc(F)cc1 ZINC000873132138 1297289097 /nfs/dbraw/zinc/28/90/97/1297289097.db2.gz IRWGGHWHHAIYQF-OAHLLOKOSA-N 1 0 332.375 3.216 20 5 EGBDRO CC[C@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)[C@H](O)c1ccccc1 ZINC000873193521 1297338217 /nfs/dbraw/zinc/33/82/17/1297338217.db2.gz LHUZILKUYIAQRY-MAUKXSAKSA-N 1 0 330.384 3.205 20 5 EGBDRO CCN(Cc1ccc(C(F)(F)F)cc1)Cn1cc([N+](=O)[O-])cn1 ZINC000746043528 1298517224 /nfs/dbraw/zinc/51/72/24/1298517224.db2.gz YRMKYZZBNPBWHJ-UHFFFAOYSA-N 1 0 328.294 3.290 20 5 EGBDRO Cc1noc([C@H]2CCC[N@H+](Cc3c(C)ccc([N+](=O)[O-])c3C)C2)n1 ZINC000876612079 1298867676 /nfs/dbraw/zinc/86/76/76/1298867676.db2.gz BAHVBYUVQSMKQK-AWEZNQCLSA-N 1 0 330.388 3.283 20 5 EGBDRO C[C@@H](C[C@H](O)c1ccc(F)cc1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000877130313 1299172140 /nfs/dbraw/zinc/17/21/40/1299172140.db2.gz QJEPLTUTVCOIOF-UGSOOPFHSA-N 1 0 332.375 3.378 20 5 EGBDRO C[NH+](C)C[C@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000749396805 1299207013 /nfs/dbraw/zinc/20/70/13/1299207013.db2.gz ATQWKRQKWIAIRH-LLVKDONJSA-N 1 0 340.811 3.054 20 5 EGBDRO CC(C)c1ccc(OCC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000749677692 1299253563 /nfs/dbraw/zinc/25/35/63/1299253563.db2.gz QICRSMIBRPJNAK-IBGZPJMESA-N 1 0 344.411 3.420 20 5 EGBDRO CO[C@]1(C)C[C@@H]([N@H+](C)Cn2ncc3ccc([N+](=O)[O-])cc32)C1(C)C ZINC000751933447 1299657453 /nfs/dbraw/zinc/65/74/53/1299657453.db2.gz JPJRLWQAYWTPMS-NVXWUHKLSA-N 1 0 332.404 3.037 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)CC2(O)CCCCC2)cc1[N+](=O)[O-] ZINC000878370777 1299952185 /nfs/dbraw/zinc/95/21/85/1299952185.db2.gz AVFHYFFMVUEJRS-GOEBONIOSA-N 1 0 336.432 3.000 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)c1ccco1 ZINC000753936202 1300047590 /nfs/dbraw/zinc/04/75/90/1300047590.db2.gz SFPLQIILEAOBDM-JLJPHGGASA-N 1 0 330.384 3.222 20 5 EGBDRO C[C@H](C(=O)OCC[C@@H]1CCCC[N@@H+]1C)c1ccc([N+](=O)[O-])cc1F ZINC000755063650 1300277167 /nfs/dbraw/zinc/27/71/67/1300277167.db2.gz NCBKGHLMPNGNJR-STQMWFEESA-N 1 0 338.379 3.255 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)CNC(=O)OC(C)(C)C ZINC000756068789 1300434263 /nfs/dbraw/zinc/43/42/63/1300434263.db2.gz ABZJIXMUKSEHMR-STQMWFEESA-N 1 0 337.420 3.467 20 5 EGBDRO CC(C)([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc(C(F)(F)F)cc1 ZINC000880384245 1301096588 /nfs/dbraw/zinc/09/65/88/1301096588.db2.gz UYAUQAZDHMHBRH-UHFFFAOYSA-N 1 0 342.321 3.335 20 5 EGBDRO Cc1c(NC(=O)CC[N@@H+]2CC[C@@H](C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000761054687 1301392706 /nfs/dbraw/zinc/39/27/06/1301392706.db2.gz TZQRJXCQECYMOG-LLVKDONJSA-N 1 0 345.321 3.116 20 5 EGBDRO Cc1nn(CN2CCC[N@@H+](C(C)(C)C)CC2)c2cc([N+](=O)[O-])ccc12 ZINC000761291446 1301435893 /nfs/dbraw/zinc/43/58/93/1301435893.db2.gz UILXOJULRMMELJ-UHFFFAOYSA-N 1 0 345.447 3.017 20 5 EGBDRO Cc1nn(C[N@@H+]2CC[C@H](c3ccco3)C2)c2cc([N+](=O)[O-])ccc12 ZINC000761289854 1301436543 /nfs/dbraw/zinc/43/65/43/1301436543.db2.gz CPDXTLNMTQHFSE-ZDUSSCGKSA-N 1 0 326.356 3.293 20 5 EGBDRO C[NH+](C)CCCOc1ccc(CNc2ccnc(F)c2[N+](=O)[O-])cc1 ZINC000881917096 1301755590 /nfs/dbraw/zinc/75/55/90/1301755590.db2.gz TUKZFLBLOFSQSM-UHFFFAOYSA-N 1 0 348.378 3.072 20 5 EGBDRO CCO[C@@H]1C[C@@H]([N@H+](C)Cn2ncc3ccc([N+](=O)[O-])cc32)C12CCC2 ZINC000763236618 1301854137 /nfs/dbraw/zinc/85/41/37/1301854137.db2.gz RIDDVUKXOFNLHE-IAGOWNOFSA-N 1 0 344.415 3.182 20 5 EGBDRO CC[C@H]([NH2+]CCNC(=O)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000765312324 1302245778 /nfs/dbraw/zinc/24/57/78/1302245778.db2.gz ZNZJBOKRQUGOIZ-KRWDZBQOSA-N 1 0 345.374 3.205 20 5 EGBDRO CCC[C@@H]([NH2+][C@@H]1CCCN(C(=O)OC)C1)c1cccc([N+](=O)[O-])c1 ZINC000765628750 1302292836 /nfs/dbraw/zinc/29/28/36/1302292836.db2.gz FCONHKUJZBLLTB-GDBMZVCRSA-N 1 0 335.404 3.256 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2COc3c2cccc3Cl)cc1 ZINC000765850264 1302339088 /nfs/dbraw/zinc/33/90/88/1302339088.db2.gz WPZVRHLZYFOQFW-HUUCEWRRSA-N 1 0 334.759 3.005 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H]2COc3ccc(Cl)cc32)cc1 ZINC000765848171 1302339283 /nfs/dbraw/zinc/33/92/83/1302339283.db2.gz GSJSUZRATSHBSY-LSDHHAIUSA-N 1 0 334.759 3.005 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H]2COc3c2cccc3Cl)cc1 ZINC000765850260 1302339423 /nfs/dbraw/zinc/33/94/23/1302339423.db2.gz WPZVRHLZYFOQFW-CABCVRRESA-N 1 0 334.759 3.005 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H](Cc2ccccc2)C2CC2)cc1 ZINC000765845210 1302339519 /nfs/dbraw/zinc/33/95/19/1302339519.db2.gz NNEKMLIAAYIUCJ-RBUKOAKNSA-N 1 0 326.396 3.239 20 5 EGBDRO C[C@H]1CN(c2ncc([N+](=O)[O-])c3ccccc32)CC[N@@H+](C2CCC2)C1 ZINC000884514433 1302893178 /nfs/dbraw/zinc/89/31/78/1302893178.db2.gz IIZZYTTYEFSHHI-CQSZACIVSA-N 1 0 340.427 3.454 20 5 EGBDRO CC[N@@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)C[C@H]1CCOC1 ZINC000768521225 1302922490 /nfs/dbraw/zinc/92/24/90/1302922490.db2.gz NYZBCZBMBDFNNE-GFCCVEGCSA-N 1 0 343.221 3.216 20 5 EGBDRO COc1ccc(F)cc1CC[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000886311900 1303430234 /nfs/dbraw/zinc/43/02/34/1303430234.db2.gz LNEPIKASBHWKLB-UHFFFAOYSA-N 1 0 334.347 3.083 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+][C@@H](CO)C[C@@H](O)c2ccccc2)cc1[N+](=O)[O-] ZINC000773102982 1303625132 /nfs/dbraw/zinc/62/51/32/1303625132.db2.gz ABZUHPVSFHTPBQ-POZUXBRTSA-N 1 0 344.411 3.038 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](CO)C[C@@H](O)c1ccccc1 ZINC000773110125 1303625741 /nfs/dbraw/zinc/62/57/41/1303625741.db2.gz VJSCUEHEPSHMMS-ZSZQSSIHSA-N 1 0 344.411 3.038 20 5 EGBDRO CS[C@@H]1CN(c2cc(C)c([N+](=O)[O-])cc2Cl)C[C@H]1[NH+](C)C ZINC000774536279 1303823955 /nfs/dbraw/zinc/82/39/55/1303823955.db2.gz LVQWQCLGOJXGOM-ZIAGYGMSSA-N 1 0 329.853 3.038 20 5 EGBDRO COC(=O)[C@H]1CCCC[C@]1(C)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000775992780 1304076312 /nfs/dbraw/zinc/07/63/12/1304076312.db2.gz LKQHIRVJQQIORO-CJNGLKHVSA-N 1 0 340.807 3.460 20 5 EGBDRO CC[C@@H]1C[N@H+](C)CCN1C(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C ZINC000888280886 1304098032 /nfs/dbraw/zinc/09/80/32/1304098032.db2.gz FSTNPUVKVWKGDE-LLVKDONJSA-N 1 0 340.811 3.115 20 5 EGBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N1CC[N@@H+](C)[C@@H](C)[C@@H]1C ZINC000888284675 1304100968 /nfs/dbraw/zinc/10/09/68/1304100968.db2.gz HVWMTQUITNPPDP-QWRGUYRKSA-N 1 0 340.811 3.113 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H](c2ccccc2)c2ccccn2)cc1 ZINC000776587670 1304176154 /nfs/dbraw/zinc/17/61/54/1304176154.db2.gz YLDUTUUHBZGHSV-UXHICEINSA-N 1 0 349.390 3.402 20 5 EGBDRO CC1(C)c2ccccc2CC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776605362 1304178806 /nfs/dbraw/zinc/17/88/06/1304178806.db2.gz KSMLNGCBHCFXJB-GOSISDBHSA-N 1 0 326.396 3.422 20 5 EGBDRO CCOC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000776809267 1304203399 /nfs/dbraw/zinc/20/33/99/1304203399.db2.gz QVGPUAQDJXOYOC-GOEBONIOSA-N 1 0 349.431 3.250 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000777438056 1304296473 /nfs/dbraw/zinc/29/64/73/1304296473.db2.gz KQZHUWOFFVGWMA-UABKOXTMSA-N 1 0 342.370 3.341 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CC[C@H](COc3ccccc3)C2)cc1 ZINC000780370647 1304683213 /nfs/dbraw/zinc/68/32/13/1304683213.db2.gz NUXNBTWKSBFTJR-KXBFYZLASA-N 1 0 342.395 3.029 20 5 EGBDRO CC(C)[C@@H]1CCC[N@H+](CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)C1 ZINC000780499270 1304701199 /nfs/dbraw/zinc/70/11/99/1304701199.db2.gz QPZXCKLWFGHCGT-OAHLLOKOSA-N 1 0 346.431 3.162 20 5 EGBDRO Cc1[nH+]ccc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1Cl ZINC000780907815 1304750723 /nfs/dbraw/zinc/75/07/23/1304750723.db2.gz XIADEAYTJKSHGR-UHFFFAOYSA-N 1 0 332.791 3.278 20 5 EGBDRO CC(C)N(CC[NH+](C)C)C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000781848460 1304882502 /nfs/dbraw/zinc/88/25/02/1304882502.db2.gz FCCCBQZAUIYLTF-UHFFFAOYSA-N 1 0 328.800 3.052 20 5 EGBDRO C[C@@H](COCC(F)(F)F)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783597301 1305114133 /nfs/dbraw/zinc/11/41/33/1305114133.db2.gz JIMCDWBSJGXNIA-QMMMGPOBSA-N 1 0 326.702 3.305 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCOC3(CCOCC3)C2)cc1Cl ZINC000783652166 1305123238 /nfs/dbraw/zinc/12/32/38/1305123238.db2.gz VWYCOQDGVWYSOS-ZDUSSCGKSA-N 1 0 340.807 3.066 20 5 EGBDRO COc1cc(C[NH2+][C@H](C)COc2ccccc2)c([N+](=O)[O-])cc1OC ZINC000892695110 1305512777 /nfs/dbraw/zinc/51/27/77/1305512777.db2.gz FUYQTOSMJPCUBD-CYBMUJFWSA-N 1 0 346.383 3.169 20 5 EGBDRO CC[C@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000787994011 1305839926 /nfs/dbraw/zinc/83/99/26/1305839926.db2.gz AGNMQTDIFRGHJT-GXFFZTMASA-N 1 0 325.796 3.355 20 5 EGBDRO COc1ccc(CC[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1F ZINC000788587964 1305976004 /nfs/dbraw/zinc/97/60/04/1305976004.db2.gz LEPFUEVCBDOGNC-NSHDSACASA-N 1 0 333.363 3.218 20 5 EGBDRO CCOC(=O)N1CC[C@@H]([NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000788599887 1305979346 /nfs/dbraw/zinc/97/93/46/1305979346.db2.gz OEOKIFLLGHEYFN-MLGOLLRUSA-N 1 0 347.415 3.138 20 5 EGBDRO COc1ccc(O[C@H](C)C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000788609736 1305981998 /nfs/dbraw/zinc/98/19/98/1305981998.db2.gz IFHXUABWSACVSN-CHWSQXEVSA-N 1 0 345.399 3.304 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C[C@H]1CCCN1CC(F)F ZINC000895572630 1309407806 /nfs/dbraw/zinc/40/78/06/1309407806.db2.gz ADGOPKRNBSKAAL-GFCCVEGCSA-N 1 0 333.766 3.067 20 5 EGBDRO CC(C)([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1[N+](=O)[O-] ZINC000795223714 1309701108 /nfs/dbraw/zinc/70/11/08/1309701108.db2.gz XAHYKXIYDZJAPU-INIZCTEOSA-N 1 0 345.355 3.061 20 5 EGBDRO CCNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000796172983 1309927152 /nfs/dbraw/zinc/92/71/52/1309927152.db2.gz SWAGDCIBZGLPLF-OAHLLOKOSA-N 1 0 335.404 3.004 20 5 EGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@H](CCO)Cc1ccccc1 ZINC000799350011 1310533549 /nfs/dbraw/zinc/53/35/49/1310533549.db2.gz LOKFJQQNPAIISR-MRXNPFEDSA-N 1 0 334.803 3.332 20 5 EGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCOC1CCSCC1 ZINC000898439637 1310734856 /nfs/dbraw/zinc/73/48/56/1310734856.db2.gz KEGMWHYOLWDOPU-CQSZACIVSA-N 1 0 338.473 3.418 20 5 EGBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1CC[N@@H+]1C(C)(C)C ZINC000899150080 1310956772 /nfs/dbraw/zinc/95/67/72/1310956772.db2.gz YMHLXBXKMFERKU-MRXNPFEDSA-N 1 0 333.432 3.205 20 5 EGBDRO Cc1cc(NCc2ccccc2[N+](=O)[O-])ccc1OCC[NH+](C)C ZINC000839184013 1320889070 /nfs/dbraw/zinc/88/90/70/1320889070.db2.gz HJZKWKVYNKEMKZ-UHFFFAOYSA-N 1 0 329.400 3.456 20 5 EGBDRO C[NH+](C)C1(CNC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000929304423 1328561464 /nfs/dbraw/zinc/56/14/64/1328561464.db2.gz GGEBTFUXMGMDCN-IRXDYDNUSA-N 1 0 345.443 3.079 20 5 EGBDRO COC1CC[NH+](C2(CNc3ccc(N)cc3[N+](=O)[O-])CCCC2)CC1 ZINC000804441696 1317236757 /nfs/dbraw/zinc/23/67/57/1317236757.db2.gz JEGRNNCNJONCKN-UHFFFAOYSA-N 1 0 348.447 3.013 20 5 EGBDRO C[C@@H](CCNc1ccc(N)cc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000804531131 1317256419 /nfs/dbraw/zinc/25/64/19/1317256419.db2.gz KHCHHDLWKOOKIT-AWEZNQCLSA-N 1 0 328.416 3.500 20 5 EGBDRO CC(C)(C)[N@@H+]1CC[C@H]1C(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000900840178 1317346150 /nfs/dbraw/zinc/34/61/50/1317346150.db2.gz YBEFCTRPVOFWSS-HOCLYGCPSA-N 1 0 349.456 3.042 20 5 EGBDRO Cc1ccsc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001019940705 1317467736 /nfs/dbraw/zinc/46/77/36/1317467736.db2.gz UBZKKQBBUQOOQA-HDJSIYSDSA-N 1 0 345.424 3.015 20 5 EGBDRO Cc1ccc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccccc3[N+](=O)[O-])C2)s1 ZINC001019944368 1317470336 /nfs/dbraw/zinc/47/03/36/1317470336.db2.gz YPWJKWVOWSARPI-HDJSIYSDSA-N 1 0 345.424 3.015 20 5 EGBDRO O=C(C=C1CCCCC1)N[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001020015263 1317501134 /nfs/dbraw/zinc/50/11/34/1317501134.db2.gz WQBGNORPZADAPU-SHTZXODSSA-N 1 0 349.456 3.284 20 5 EGBDRO CC(C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)=C1CCCC1 ZINC001020064129 1317528825 /nfs/dbraw/zinc/52/88/25/1317528825.db2.gz CTOAKLLPELSVMN-QAQDUYKDSA-N 1 0 343.427 3.222 20 5 EGBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)C1(NC(=O)OC(C)(C)C)CC1 ZINC000903130838 1317659865 /nfs/dbraw/zinc/65/98/65/1317659865.db2.gz OVDNDDMNEIHTGL-CYBMUJFWSA-N 1 0 349.431 3.173 20 5 EGBDRO CCOC(=O)NC1CCC([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000903288340 1317682888 /nfs/dbraw/zinc/68/28/88/1317682888.db2.gz YGNXQIVQJVCOQN-LRVUVFPRSA-N 1 0 335.404 3.303 20 5 EGBDRO CC1(C)CC(CC(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC001020503447 1317731791 /nfs/dbraw/zinc/73/17/91/1317731791.db2.gz FLPGBWFQYZNPBL-WKILWMFISA-N 1 0 345.443 3.158 20 5 EGBDRO CC1(C)C[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)Cc2ccccc2O1 ZINC000808791241 1317733919 /nfs/dbraw/zinc/73/39/19/1317733919.db2.gz ONCBVRYSOPTBOJ-QGZVFWFLSA-N 1 0 342.395 3.301 20 5 EGBDRO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000905851754 1318007604 /nfs/dbraw/zinc/00/76/04/1318007604.db2.gz CSZOXIYQANDQRR-CABCVRRESA-N 1 0 341.411 3.293 20 5 EGBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]CCOC[C@H]1CCCO1 ZINC000811481354 1318181953 /nfs/dbraw/zinc/18/19/53/1318181953.db2.gz YFSPFGUDFZWCRN-GFCCVEGCSA-N 1 0 349.214 3.187 20 5 EGBDRO C[C@H]([NH3+])c1ccc(NC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000911845418 1318771403 /nfs/dbraw/zinc/77/14/03/1318771403.db2.gz KGRVXBKOXWAWPS-YMRXKLBXSA-N 1 0 325.368 3.357 20 5 EGBDRO COc1ccc2c(c1)OCC[C@H]2[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815583723 1319021301 /nfs/dbraw/zinc/02/13/01/1319021301.db2.gz MSKKQPJUQSGPHT-MEDUHNTESA-N 1 0 343.383 3.360 20 5 EGBDRO C[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1Cl)[N@@H+]1CCC[C@@H](C)C1 ZINC000816871843 1319237355 /nfs/dbraw/zinc/23/73/55/1319237355.db2.gz VKGVVNOKWNKZRG-NEPJUHHUSA-N 1 0 339.823 3.098 20 5 EGBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000816925046 1319249406 /nfs/dbraw/zinc/24/94/06/1319249406.db2.gz DRGCDIYARIJYTP-GFCCVEGCSA-N 1 0 339.823 3.243 20 5 EGBDRO C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000817907836 1319458021 /nfs/dbraw/zinc/45/80/21/1319458021.db2.gz XISNLYBOBKWXSK-SJKOYZFVSA-N 1 0 333.819 3.296 20 5 EGBDRO Cc1[nH]c2ccccc2c1CC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819005674 1319611430 /nfs/dbraw/zinc/61/14/30/1319611430.db2.gz UYXLVROVWUPDEM-LJQANCHMSA-N 1 0 339.395 3.250 20 5 EGBDRO CC[C@H]1CCCN(C(C)(C)C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819046363 1319622577 /nfs/dbraw/zinc/62/25/77/1319622577.db2.gz MAGHKUOPUNPONF-MAUKXSAKSA-N 1 0 349.475 3.118 20 5 EGBDRO CC(C)[C@H](C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC000819139647 1319646484 /nfs/dbraw/zinc/64/64/84/1319646484.db2.gz FVFLIURXGAMQCB-ZWKOTPCHSA-N 1 0 329.400 3.053 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CC2(Cc3ccc(F)cc3)CC2)c1 ZINC000819203145 1319667155 /nfs/dbraw/zinc/66/71/55/1319667155.db2.gz UVOYTSCZGTXZIF-GOSISDBHSA-N 1 0 344.386 3.380 20 5 EGBDRO CO[C@H](c1ccccc1F)[C@H](C)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819210901 1319669139 /nfs/dbraw/zinc/66/91/39/1319669139.db2.gz ZQUPETAAZARSNN-IGNZVWTISA-N 1 0 348.374 3.133 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2CCCOc3cc(F)ccc32)c1 ZINC000819210775 1319669628 /nfs/dbraw/zinc/66/96/28/1319669628.db2.gz KSVVGPVZWWSMGO-DLBZAZTESA-N 1 0 346.358 3.271 20 5 EGBDRO CSc1ccc(CC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000819282332 1319688518 /nfs/dbraw/zinc/68/85/18/1319688518.db2.gz AXRFRVUMEHJGJA-QGZVFWFLSA-N 1 0 332.425 3.182 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)CNC[C@H]2CCC[N@@H+]2C2CCCCC2)c1 ZINC000819286636 1319689323 /nfs/dbraw/zinc/68/93/23/1319689323.db2.gz PYSDWPYHXIKDBB-RTBURBONSA-N 1 0 347.459 3.015 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](O)CNC[C@H]2CCC[N@@H+]2C2CCCCC2)c1 ZINC000819286630 1319689954 /nfs/dbraw/zinc/68/99/54/1319689954.db2.gz PYSDWPYHXIKDBB-MOPGFXCFSA-N 1 0 347.459 3.015 20 5 EGBDRO C[C@H](CCOCc1ccccc1)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819314280 1319694438 /nfs/dbraw/zinc/69/44/38/1319694438.db2.gz WNJYJSQKAGYLRP-DNVCBOLYSA-N 1 0 344.411 3.213 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CC[C@H]2CCc3ccccc32)cc1 ZINC000819339820 1319702425 /nfs/dbraw/zinc/70/24/25/1319702425.db2.gz SUGACEAHTUAOPT-BEFAXECRSA-N 1 0 326.396 3.338 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)ccc1NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000917064602 1319747338 /nfs/dbraw/zinc/74/73/38/1319747338.db2.gz YNRZNNAWSHWIPB-AWEZNQCLSA-N 1 0 339.823 3.304 20 5 EGBDRO C[C@@H]1CCCC[N@@H+]1CCCCNc1ccc([N+](=O)[O-])c2nonc21 ZINC000917073182 1319749314 /nfs/dbraw/zinc/74/93/14/1319749314.db2.gz HWBIMHGJLUQKGD-GFCCVEGCSA-N 1 0 333.392 3.198 20 5 EGBDRO C[C@@H]1CCC[C@H]([N@H+](C)Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000917427991 1319809550 /nfs/dbraw/zinc/80/95/50/1319809550.db2.gz DQKDSZNEQCMYLG-HIFRSBDPSA-N 1 0 329.404 3.321 20 5 EGBDRO CCC(CC)C[N@H+](CC)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000917615770 1319852400 /nfs/dbraw/zinc/85/24/00/1319852400.db2.gz TYFHZKZXCPZXED-UHFFFAOYSA-N 1 0 333.230 3.269 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000820490423 1319898132 /nfs/dbraw/zinc/89/81/32/1319898132.db2.gz JMCSBXRKGFWCDW-INIZCTEOSA-N 1 0 345.443 3.016 20 5 EGBDRO [NH3+][C@@H](CCc1nc(-c2ccc([N+](=O)[O-])o2)no1)CC1CCCCC1 ZINC000823269984 1320167028 /nfs/dbraw/zinc/16/70/28/1320167028.db2.gz MOWPQNRBTFOIMG-LBPRGKRZSA-N 1 0 334.376 3.468 20 5 EGBDRO C[C@H](CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000825460590 1320341177 /nfs/dbraw/zinc/34/11/77/1320341177.db2.gz BKTAYPQALIHVJG-VXGBXAGGSA-N 1 0 339.823 3.098 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1Cl ZINC000836740667 1320527882 /nfs/dbraw/zinc/52/78/82/1320527882.db2.gz WZIPHTUOECZEMP-VXGBXAGGSA-N 1 0 339.823 3.159 20 5 EGBDRO CO[C@@H]1C[C@H]([N@H+](C)Cn2nc(C)c3ccc([N+](=O)[O-])cc32)C12CCC2 ZINC000840143666 1321037905 /nfs/dbraw/zinc/03/79/05/1321037905.db2.gz WKDPDEJYZYWMRC-DLBZAZTESA-N 1 0 344.415 3.100 20 5 EGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@@H](CO)c2ccc(F)cc2)c1 ZINC000840964511 1321189046 /nfs/dbraw/zinc/18/90/46/1321189046.db2.gz WYBZMBRMJXWPAR-ZDUSSCGKSA-N 1 0 338.766 3.253 20 5 EGBDRO CCOC(=O)N1CC[C@@H]([NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000841753718 1321307013 /nfs/dbraw/zinc/30/70/13/1321307013.db2.gz VFXBIEZEFQQCMY-RHSMWYFYSA-N 1 0 347.415 3.183 20 5 EGBDRO Cc1c(Cc2noc(C[C@@H](C)[C@H]3CCC[NH2+]C3)n2)cccc1[N+](=O)[O-] ZINC000843191108 1321484751 /nfs/dbraw/zinc/48/47/51/1321484751.db2.gz CSLVPVNKRLWKBH-DOMZBBRYSA-N 1 0 344.415 3.055 20 5 EGBDRO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C[C@@]1(O)CCc2ccccc21 ZINC000843421505 1321516210 /nfs/dbraw/zinc/51/62/10/1321516210.db2.gz QNEAKNQGFXLRJL-NSDNCLLMSA-N 1 0 338.407 3.374 20 5 EGBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000843757044 1321544055 /nfs/dbraw/zinc/54/40/55/1321544055.db2.gz ICVWCLAKGYGHNU-LBPRGKRZSA-N 1 0 337.395 3.037 20 5 EGBDRO CN(CC[NH+]1CCCCC1)C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000844527659 1321616577 /nfs/dbraw/zinc/61/65/77/1321616577.db2.gz GDUINNKWYBAYMK-UHFFFAOYSA-N 1 0 340.811 3.198 20 5 EGBDRO CC(C)(C)[N@@H+]1CC[C@H]1COC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000845735533 1321738782 /nfs/dbraw/zinc/73/87/82/1321738782.db2.gz NTYJZESJJBVGID-LBPRGKRZSA-N 1 0 331.372 3.106 20 5 EGBDRO COc1ccc(CNC(=[NH2+])Nc2cc(C)cc(C)c2)cc1[N+](=O)[O-] ZINC000849065700 1322064171 /nfs/dbraw/zinc/06/41/71/1322064171.db2.gz UJDRVIDFNKHPAO-UHFFFAOYSA-N 1 0 328.372 3.357 20 5 EGBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000919721958 1322099457 /nfs/dbraw/zinc/09/94/57/1322099457.db2.gz HHXPYOUSQJIJTD-UMVBOHGHSA-N 1 0 348.403 3.345 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H](O)c1cccc(C)c1 ZINC000850445879 1322250800 /nfs/dbraw/zinc/25/08/00/1322250800.db2.gz JQKJMIJITCGHSN-SUMWQHHRSA-N 1 0 330.384 3.296 20 5 EGBDRO COc1ccc(C[N@@H+]2CCC[C@@](O)(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000859584043 1329026133 /nfs/dbraw/zinc/02/61/33/1329026133.db2.gz JSUWUDPTEYZZKL-IBGZPJMESA-N 1 0 342.395 3.087 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@](O)(c2ccccc2)C1 ZINC000859589887 1329028218 /nfs/dbraw/zinc/02/82/18/1329028218.db2.gz RFCQJAJOSRGXCL-LJQANCHMSA-N 1 0 342.395 3.087 20 5 EGBDRO CCN(CCC[NH+]1CCCC1)C(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000925240804 1325092484 /nfs/dbraw/zinc/09/24/84/1325092484.db2.gz LCRYAIJPQXEQCL-OAHLLOKOSA-N 1 0 348.447 3.173 20 5 EGBDRO C[C@@H]1CCC[C@@H](C)[N@H+](Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)C1 ZINC000853497596 1325105537 /nfs/dbraw/zinc/10/55/37/1325105537.db2.gz CCZAUUOSGVSWNA-ZIAGYGMSSA-N 1 0 329.404 3.321 20 5 EGBDRO CC(=O)N[C@H](c1ccccc1F)[C@@H](C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000925311638 1325119961 /nfs/dbraw/zinc/11/99/61/1325119961.db2.gz SLHMDPOJQHLXHK-XIKOKIGWSA-N 1 0 345.374 3.089 20 5 EGBDRO O=[N+]([O-])c1cccc([N+](=O)[O-])c1NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000853996838 1325199839 /nfs/dbraw/zinc/19/98/39/1325199839.db2.gz ZXMPWCHEMQLLGX-CYBMUJFWSA-N 1 0 334.376 3.037 20 5 EGBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000855813104 1325419586 /nfs/dbraw/zinc/41/95/86/1325419586.db2.gz ZBZPEXOMPFVKKN-YCABEKBOSA-N 1 0 343.427 3.131 20 5 EGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCc1nc2c(s1)CCC2 ZINC000926929603 1327782140 /nfs/dbraw/zinc/78/21/40/1327782140.db2.gz OTEPRIIMZIGDFG-ZDUSSCGKSA-N 1 0 329.425 3.360 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]CC1CC2(C1)OCCO2 ZINC000927003311 1327815367 /nfs/dbraw/zinc/81/53/67/1327815367.db2.gz MAXMVUMLIKOVTN-NVXWUHKLSA-N 1 0 346.427 3.049 20 5 EGBDRO C[C@@H](NC(=O)C[C@@H](c1ccccc1)[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000928244708 1328252123 /nfs/dbraw/zinc/25/21/23/1328252123.db2.gz DGULYDIBQNZKNB-KDOFPFPSSA-N 1 0 341.411 3.465 20 5 EGBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2Cl)C1 ZINC000862153888 1329462709 /nfs/dbraw/zinc/46/27/09/1329462709.db2.gz BPENRDLOACBDTC-NSHDSACASA-N 1 0 339.823 3.098 20 5 EGBDRO COCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2C(F)F)CC1 ZINC000865466931 1329701422 /nfs/dbraw/zinc/70/14/22/1329701422.db2.gz QBUOCWSXCCYTFU-UHFFFAOYSA-N 1 0 329.347 3.055 20 5 EGBDRO CS[C@@H]1CN(c2ccc([N+](=O)[O-])cc2C(F)F)C[C@@H]1[NH+](C)C ZINC000865645225 1329724625 /nfs/dbraw/zinc/72/46/25/1329724625.db2.gz VJFJHPSHBWAFTG-QWHCGFSZSA-N 1 0 331.388 3.014 20 5 EGBDRO COc1cccc(NC(=O)CC[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000932178283 1329791455 /nfs/dbraw/zinc/79/14/55/1329791455.db2.gz YDBAFEWBFXBNPW-CYBMUJFWSA-N 1 0 343.383 3.283 20 5 EGBDRO C[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)N(C)c1ccccc1 ZINC000932181356 1329791661 /nfs/dbraw/zinc/79/16/61/1329791661.db2.gz PFUCMNOFOOCMBB-ZIAGYGMSSA-N 1 0 327.384 3.297 20 5 EGBDRO Cc1noc(CN[C@H]2CC3(CCC3)Oc3ccccc32)c1[N+](=O)[O-] ZINC000932212471 1329796399 /nfs/dbraw/zinc/79/63/99/1329796399.db2.gz CTSLULSSFMXSLP-ZDUSSCGKSA-N 1 0 329.356 3.427 20 5 EGBDRO Cc1nc(CC2CC[NH+]([C@H](C)c3ccccc3[N+](=O)[O-])CC2)no1 ZINC000932243508 1329799594 /nfs/dbraw/zinc/79/95/94/1329799594.db2.gz BMQUOSGXTRKAMD-GFCCVEGCSA-N 1 0 330.388 3.302 20 5 EGBDRO C[C@@H](COCC1CCCCC1)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000932420622 1329813339 /nfs/dbraw/zinc/81/33/39/1329813339.db2.gz CMHKMSKTUMADJV-KBXCAEBGSA-N 1 0 336.432 3.203 20 5 EGBDRO O=C(CC[NH2+][C@@H](c1ccncc1)C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000934691602 1330000138 /nfs/dbraw/zinc/00/01/38/1330000138.db2.gz LIVJEEBRTSVLKR-GOSISDBHSA-N 1 0 340.383 3.059 20 5 EGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000866289901 1330091210 /nfs/dbraw/zinc/09/12/10/1330091210.db2.gz LTROXOFAKBBXSJ-NSHDSACASA-N 1 0 333.319 3.363 20 5 EGBDRO CSC1(C[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CCOCC1 ZINC000866303591 1330093501 /nfs/dbraw/zinc/09/35/01/1330093501.db2.gz NZOQZCKPCHZKHQ-GFCCVEGCSA-N 1 0 342.436 3.167 20 5 EGBDRO CCc1nn(C)c(CC)c1C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866309950 1330094236 /nfs/dbraw/zinc/09/42/36/1330094236.db2.gz KVDPGPYGIBCTOQ-LBPRGKRZSA-N 1 0 348.422 3.313 20 5 EGBDRO Cc1ccc(C[C@@H](CO)[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])cc1 ZINC000866347045 1330099964 /nfs/dbraw/zinc/09/99/64/1330099964.db2.gz ZJBRBSVNXKKRBW-KDOFPFPSSA-N 1 0 346.402 3.167 20 5 EGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H](CCO)Cc1ccccc1 ZINC000866352789 1330100832 /nfs/dbraw/zinc/10/08/32/1330100832.db2.gz MDMZUTJGYHEGFT-KDOFPFPSSA-N 1 0 346.402 3.248 20 5 EGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H]1COc2ccccc21 ZINC000866358910 1330101950 /nfs/dbraw/zinc/10/19/50/1330101950.db2.gz MCFWMKJBHGLVBD-JSGCOSHPSA-N 1 0 330.359 3.431 20 5 EGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H](O)[C@@H](C)c1ccccc1 ZINC000866394734 1330105949 /nfs/dbraw/zinc/10/59/49/1330105949.db2.gz YVEYHDXZXPMNJA-BIENJYKASA-N 1 0 346.402 3.419 20 5 EGBDRO Cc1cccc([C@@H](C)NC(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)c1C ZINC000867952542 1330232351 /nfs/dbraw/zinc/23/23/51/1330232351.db2.gz CHONZJCQSQGRON-KUHUBIRLSA-N 1 0 341.411 3.263 20 5 EGBDRO Cc1cc(O[C@@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)c([N+](=O)[O-])cc1Br ZINC001218183397 1373574180 /nfs/dbraw/zinc/57/41/80/1373574180.db2.gz BCDPEQILIUZYTQ-JGPRNRPPSA-N 1 0 341.205 3.328 20 5 EGBDRO C[C@@H](Nc1ccc([N+](=O)[O-])c2nonc21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001323620924 1387409452 /nfs/dbraw/zinc/40/94/52/1387409452.db2.gz IODBLJRTQKRNQC-VXGBXAGGSA-N 1 0 345.403 3.196 20 5 EGBDRO CC/C(C)=C/C(=O)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001200406462 1369361847 /nfs/dbraw/zinc/36/18/47/1369361847.db2.gz SZQGJHLXWBIIIZ-WYMLVPIESA-N 1 0 331.416 3.032 20 5 EGBDRO CC/C(C)=C/C(=O)N1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001200414751 1369362987 /nfs/dbraw/zinc/36/29/87/1369362987.db2.gz JVGAMWKQGOTVKT-WYMLVPIESA-N 1 0 331.416 3.032 20 5 EGBDRO Cc1nn(C[N@@H+]2CC[C@@H]3CCCC[C@@H]3C2)c2ncc([N+](=O)[O-])cc12 ZINC001116207976 1370859604 /nfs/dbraw/zinc/85/96/04/1370859604.db2.gz HDWMBXHNYUZWGT-UONOGXRCSA-N 1 0 329.404 3.118 20 5 EGBDRO CC(C)(NC(=O)CCCC[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC001116231683 1370865046 /nfs/dbraw/zinc/86/50/46/1370865046.db2.gz ZNYASZWJRPIGTK-UHFFFAOYSA-N 1 0 333.432 3.212 20 5 EGBDRO Cc1csc(CCC[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC001116751810 1370966686 /nfs/dbraw/zinc/96/66/86/1370966686.db2.gz WURJKTSBEVFQDW-KGLIPLIRSA-N 1 0 349.460 3.262 20 5 EGBDRO Cc1csc(CCC[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC001116751809 1370966734 /nfs/dbraw/zinc/96/67/34/1370966734.db2.gz WURJKTSBEVFQDW-KBPBESRZSA-N 1 0 349.460 3.262 20 5 EGBDRO CC(C)[N@H+](C)CCCNc1ncnc2c(Cl)cc([N+](=O)[O-])cc12 ZINC001118578953 1371201904 /nfs/dbraw/zinc/20/19/04/1371201904.db2.gz PQQQTOUXKYYWNC-UHFFFAOYSA-N 1 0 337.811 3.334 20 5 EGBDRO Cc1ccc(Nc2ccccc2N2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC001214172211 1373019075 /nfs/dbraw/zinc/01/90/75/1373019075.db2.gz ZWJPFLGBVPBSKL-UHFFFAOYSA-N 1 0 326.400 3.399 20 5 EGBDRO C[NH2+][C@H]1C[C@H](Oc2c(Br)c(C)c(Cl)cc2[N+](=O)[O-])C1 ZINC001217954720 1373518699 /nfs/dbraw/zinc/51/86/99/1373518699.db2.gz SUIUEFSHZWZQPE-ZKCHVHJHSA-N 1 0 349.612 3.448 20 5 EGBDRO O=[N+]([O-])c1cc(Br)c(F)cc1O[C@H]1CCCC[NH2+]C1 ZINC001217971598 1373522748 /nfs/dbraw/zinc/52/27/48/1373522748.db2.gz MIGYRYVOEFBXNU-QMMMGPOBSA-N 1 0 333.157 3.017 20 5 EGBDRO Cc1cc(Br)cc([N+](=O)[O-])c1O[C@@H]1C[NH2+]CCC[C@H]1F ZINC001217977416 1373523152 /nfs/dbraw/zinc/52/31/52/1373523152.db2.gz ATGJXJCTJSAJSF-ZYHUDNBSSA-N 1 0 347.184 3.135 20 5 EGBDRO C[C@H]1C[NH2+]CCC[C@H]1Oc1cc(Br)cc([N+](=O)[O-])c1 ZINC001217985726 1373526200 /nfs/dbraw/zinc/52/62/00/1373526200.db2.gz CLWVHIYYLFRYMM-TVQRCGJNSA-N 1 0 329.194 3.124 20 5 EGBDRO C[C@@H]1CC[NH2+]CC[C@H]1Oc1ccc([N+](=O)[O-])cc1Br ZINC001218026563 1373541377 /nfs/dbraw/zinc/54/13/77/1373541377.db2.gz IWXHHTYADUWYLP-BXKDBHETSA-N 1 0 329.194 3.124 20 5 EGBDRO O=[N+]([O-])c1ccc(Br)c(O[C@H]2CCC[C@]23CC[NH2+]C3)c1 ZINC001218089805 1373557549 /nfs/dbraw/zinc/55/75/49/1373557549.db2.gz KLWWHDBKQRDQCE-UONOGXRCSA-N 1 0 341.205 3.268 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)c(O[C@@H]2CSC3(C[NH2+]C3)C2)cc1Cl ZINC001218104527 1373562338 /nfs/dbraw/zinc/56/23/38/1373562338.db2.gz UWGYZCANMCJELY-ZETCQYMHSA-N 1 0 335.212 3.128 20 5 EGBDRO CCc1c(Cl)cc([N+](=O)[O-])c(O[C@@H]2C[C@@H]3C[NH2+]C[C@H]23)c1Cl ZINC001218325977 1373597193 /nfs/dbraw/zinc/59/71/93/1373597193.db2.gz NKJCIVZIHIHVMT-VFWDIBGWSA-N 1 0 331.199 3.451 20 5 EGBDRO C[C@@H](Oc1ccc(CN2CC[NH2+]CC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC001218342940 1373600773 /nfs/dbraw/zinc/60/07/73/1373600773.db2.gz AYYLRYUQYXBAJQ-OAHLLOKOSA-N 1 0 341.411 3.140 20 5 EGBDRO O=[N+]([O-])c1cc(Br)c(F)cc1O[C@@H]1C[NH2+]CCC12CC2 ZINC001218399428 1373607435 /nfs/dbraw/zinc/60/74/35/1373607435.db2.gz NVPCDVVRXAUPBK-GFCCVEGCSA-N 1 0 345.168 3.017 20 5 EGBDRO Cc1cc(Br)c(O[C@@H]2CC[C@H](C)[NH2+]C2)cc1[N+](=O)[O-] ZINC001218403963 1373608249 /nfs/dbraw/zinc/60/82/49/1373608249.db2.gz YNRSQRDNQNXHRH-VHSXEESVSA-N 1 0 329.194 3.185 20 5 EGBDRO C[C@@H]1CC[C@H](Oc2cc([N+](=O)[O-])c(Br)cc2F)C[NH2+]1 ZINC001218406887 1373608938 /nfs/dbraw/zinc/60/89/38/1373608938.db2.gz OLFLDANNEHSTQG-SFYZADRCSA-N 1 0 333.157 3.016 20 5 EGBDRO C[C@H]1CC[C@@H](Oc2c3ccccc3c([N+](=O)[O-])cc2[N+](=O)[O-])C[NH2+]1 ZINC001218409145 1373609720 /nfs/dbraw/zinc/60/97/20/1373609720.db2.gz WZSGRIZRFVUZCU-WDEREUQCSA-N 1 0 331.328 3.176 20 5 EGBDRO CC(C)(C)[C@H]([NH3+])CC(=O)n1c2ccccc2cc2c(=O)c(N)ccc1-2 ZINC001219256677 1373696275 /nfs/dbraw/zinc/69/62/75/1373696275.db2.gz VSTVKMISEALITN-QGZVFWFLSA-N 1 0 337.423 3.092 20 5 EGBDRO COc1cc(O[C@@H]2CC[N@@H+]([C@@H](C)c3ccccn3)C2)ccc1[N+](=O)[O-] ZINC001225440188 1375111197 /nfs/dbraw/zinc/11/11/97/1375111197.db2.gz CRJNUWHPIMREIY-DZGCQCFKSA-N 1 0 343.383 3.213 20 5 EGBDRO O=[N+]([O-])c1cccc(OC[C@H]2CN(Cc3ccccc3)CCO2)c1F ZINC001225794680 1375156664 /nfs/dbraw/zinc/15/66/64/1375156664.db2.gz WQYJAQZJBDALSV-OAHLLOKOSA-N 1 0 346.358 3.014 20 5 EGBDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC001225894705 1375170505 /nfs/dbraw/zinc/17/05/05/1375170505.db2.gz OPGWCGPVXLRJKY-IWIIMEHWSA-N 1 0 345.321 3.118 20 5 EGBDRO Cc1ccc(OC2CC[NH+](CCc3ccccc3)CC2)c([N+](=O)[O-])n1 ZINC001227223327 1375408822 /nfs/dbraw/zinc/40/88/22/1375408822.db2.gz HPRACEYRXUDPJH-UHFFFAOYSA-N 1 0 341.411 3.384 20 5 EGBDRO Cc1[nH]c(=O)cc(O[C@@H](CC[NH+](C)C)c2cccs2)c1[N+](=O)[O-] ZINC001228685200 1375639557 /nfs/dbraw/zinc/63/95/57/1375639557.db2.gz DUAHHQHTTHZGIW-NSHDSACASA-N 1 0 337.401 3.137 20 5 EGBDRO Cc1c(C(=O)O[C@H](C)c2ccccc2[N+](=O)[O-])ccc2c[nH+]cn21 ZINC001132974573 1375689010 /nfs/dbraw/zinc/68/90/10/1375689010.db2.gz JKJJHZBSBMDYAD-GFCCVEGCSA-N 1 0 325.324 3.469 20 5 EGBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Oc1cnccc1[N+](=O)[O-] ZINC001228880944 1375705118 /nfs/dbraw/zinc/70/51/18/1375705118.db2.gz BEDSTUUELOUQSZ-RHSMWYFYSA-N 1 0 327.384 3.279 20 5 EGBDRO CC(=O)c1cccc(OC2CCN(c3cc[nH+]cc3)CC2)c1[N+](=O)[O-] ZINC001229137637 1375772413 /nfs/dbraw/zinc/77/24/13/1375772413.db2.gz ILEPDHHEGFLVOT-UHFFFAOYSA-N 1 0 341.367 3.240 20 5 EGBDRO Cc1cccc(Cl)c1C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001133314711 1375917878 /nfs/dbraw/zinc/91/78/78/1375917878.db2.gz OVFIQIOIGVYSES-UHFFFAOYSA-N 1 0 347.802 3.076 20 5 EGBDRO CO[C@@H]1CC[N@H+](CCOc2ccc(-c3cccc([N+](=O)[O-])c3)cc2)C1 ZINC001230940884 1376184954 /nfs/dbraw/zinc/18/49/54/1376184954.db2.gz FVDDJLKLEGCGKR-LJQANCHMSA-N 1 0 342.395 3.361 20 5 EGBDRO CCCC(=O)Nc1c(O[C@H]2CCC[N@H+](CC)C2)cccc1[N+](=O)[O-] ZINC001231362263 1376230800 /nfs/dbraw/zinc/23/08/00/1376230800.db2.gz LPFRYWGOJIGGHN-ZDUSSCGKSA-N 1 0 335.404 3.197 20 5 EGBDRO CC(C)[N@@H+]1CC[C@H](Oc2cc(N3CCCCC3)ccc2[N+](=O)[O-])C1 ZINC001234369633 1376822239 /nfs/dbraw/zinc/82/22/39/1376822239.db2.gz WHNPAQFPFNILDH-INIZCTEOSA-N 1 0 333.432 3.447 20 5 EGBDRO C[N@H+](CCCNC(=O)CC1=CCCCC1)Cc1ccccc1[N+](=O)[O-] ZINC001235766729 1376891965 /nfs/dbraw/zinc/89/19/65/1376891965.db2.gz OOJAOEYXTLALQC-UHFFFAOYSA-N 1 0 345.443 3.423 20 5 EGBDRO CC(C)CC1(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])CCCC1 ZINC001135413939 1377081784 /nfs/dbraw/zinc/08/17/84/1377081784.db2.gz BPYYPCOZFULYGC-UHFFFAOYSA-N 1 0 347.459 3.407 20 5 EGBDRO CS[C@@H]1CC[C@@H]([N@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC001327303744 1388493074 /nfs/dbraw/zinc/49/30/74/1388493074.db2.gz PLWQRVBOPPSFLA-CHWSQXEVSA-N 1 0 337.445 3.139 20 5 EGBDRO CC1CC[NH+](CCc2nnc(-c3cc([N+](=O)[O-])ccc3F)o2)CC1 ZINC001327845203 1388604569 /nfs/dbraw/zinc/60/45/69/1388604569.db2.gz BZWRIOUSNPGUSP-UHFFFAOYSA-N 1 0 334.351 3.058 20 5 EGBDRO CC1(C)CCC(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001152843552 1379986338 /nfs/dbraw/zinc/98/63/38/1379986338.db2.gz QZLDFEMEAGRZFU-UHFFFAOYSA-N 1 0 333.432 3.017 20 5 EGBDRO CN(C)c1cc[nH+]cc1NC(=O)c1cccc2nc3ccccc3nc21 ZINC001153864418 1380146528 /nfs/dbraw/zinc/14/65/28/1380146528.db2.gz BTMWFZLZXDSBHX-UHFFFAOYSA-N 1 0 343.390 3.496 20 5 EGBDRO CC(C)[N@H+](C)[C@H]1CCN(C(=O)c2cccc3nc4ccccc4nc32)C1 ZINC001153866008 1380146575 /nfs/dbraw/zinc/14/65/75/1380146575.db2.gz JUIVWZNELKWULU-HNNXBMFYSA-N 1 0 348.450 3.338 20 5 EGBDRO Cc1cc(Cl)c([N+](=O)[O-])c(NCc2ccc3c(c2)CC[NH2+]C3)n1 ZINC001155267829 1380431072 /nfs/dbraw/zinc/43/10/72/1380431072.db2.gz OIWCQFKDYHSWFS-UHFFFAOYSA-N 1 0 332.791 3.209 20 5 EGBDRO COc1cccc(N(c2nccc(C)c2[N+](=O)[O-])C2CC[NH2+]CC2)c1 ZINC001155605042 1380472469 /nfs/dbraw/zinc/47/24/69/1380472469.db2.gz PQDNLVQATJJAPA-UHFFFAOYSA-N 1 0 342.399 3.197 20 5 EGBDRO O=[N+]([O-])c1cc(NCC2C[NH+](Cc3ccccc3)C2)nc2[nH]ccc21 ZINC001156398662 1380571442 /nfs/dbraw/zinc/57/14/42/1380571442.db2.gz FRBICJLNNJNHMD-UHFFFAOYSA-N 1 0 337.383 3.015 20 5 EGBDRO O=[N+]([O-])c1cc2nc(Cl)ccc2cc1-n1ccc2c1CC[NH2+]C2 ZINC001157453284 1380906172 /nfs/dbraw/zinc/90/61/72/1380906172.db2.gz AYNUKKVUJAFTGD-UHFFFAOYSA-N 1 0 328.759 3.233 20 5 EGBDRO CN(CC[N@H+](C)Cc1ccccc1)c1cc([N+](=O)[O-])cc(Cl)n1 ZINC001157551388 1380962111 /nfs/dbraw/zinc/96/21/11/1380962111.db2.gz AQOUANGMTFWEAY-UHFFFAOYSA-N 1 0 334.807 3.211 20 5 EGBDRO [NH3+][C@@H](Cc1c2ccccc2cc2ccccc21)C(=O)N1CCCCO1 ZINC001157681437 1381000717 /nfs/dbraw/zinc/00/07/17/1381000717.db2.gz IEZRCZOYWWKILR-FQEVSTJZSA-N 1 0 334.419 3.417 20 5 EGBDRO C[C@@H]1[C@H]([NH3+])CCCN1c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)nn1 ZINC001157743684 1381019932 /nfs/dbraw/zinc/01/99/32/1381019932.db2.gz DIZZJCUFLIQFGB-ZWNOBZJWSA-N 1 0 347.806 3.021 20 5 EGBDRO Cc1c[nH+]ccc1N1CCN(c2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC001158106431 1381129261 /nfs/dbraw/zinc/12/92/61/1381129261.db2.gz RDPJINBVVYYRHU-UHFFFAOYSA-N 1 0 349.394 3.173 20 5 EGBDRO [NH3+]Cc1ccc2c(n1)N(c1ccc3cccc([N+](=O)[O-])c3n1)CCC2 ZINC001158648592 1381336479 /nfs/dbraw/zinc/33/64/79/1381336479.db2.gz BUYWHGQCBFMKPJ-UHFFFAOYSA-N 1 0 335.367 3.081 20 5 EGBDRO Nc1ccc2n(-c3cccc(OCC[NH3+])c3)c3ccccc3cc-2c1=O ZINC001160005083 1381965867 /nfs/dbraw/zinc/96/58/67/1381965867.db2.gz DRWCLQXILVKBCK-UHFFFAOYSA-N 1 0 345.402 3.015 20 5 EGBDRO Nc1cccc(F)c1N(c1ccc(F)cc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC001160047163 1381979819 /nfs/dbraw/zinc/97/98/19/1381979819.db2.gz VAWDFWHDMUZMJS-UHFFFAOYSA-N 1 0 348.353 3.345 20 5 EGBDRO CC(C)(C(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC001160074874 1381989935 /nfs/dbraw/zinc/98/99/35/1381989935.db2.gz BTWRNYQUMPALJK-UHFFFAOYSA-N 1 0 347.459 3.407 20 5 EGBDRO O=[N+]([O-])c1cccc(Nc2c(F)cccc2O[C@@H]2CC[NH2+]C2)c1F ZINC001160129620 1382006560 /nfs/dbraw/zinc/00/65/60/1382006560.db2.gz JFQAEBNCXZPDAH-SNVBAGLBSA-N 1 0 335.310 3.357 20 5 EGBDRO O=[N+]([O-])c1ccc(Nc2cccc3c2[C@H]2C[NH2+]C[C@H]2O3)c(Cl)c1 ZINC001160397415 1382093419 /nfs/dbraw/zinc/09/34/19/1382093419.db2.gz HDMPOLWZNQBVNZ-ZUZCIYMTSA-N 1 0 331.759 3.440 20 5 EGBDRO [NH3+]Cc1ccc(Nc2ccc3c(ccc(Cl)c3[N+](=O)[O-])n2)cn1 ZINC001160402063 1382095726 /nfs/dbraw/zinc/09/57/26/1382095726.db2.gz KMJGBRJFXSQPRA-UHFFFAOYSA-N 1 0 329.747 3.394 20 5 EGBDRO O=[N+]([O-])c1ccc2nc(Cl)nc(N[C@H]3CC[N@@H+](C4CCC4)C3)c2c1 ZINC001161177219 1382327034 /nfs/dbraw/zinc/32/70/34/1382327034.db2.gz KCQTXBRIURCECD-JTQLQIEISA-N 1 0 347.806 3.230 20 5 EGBDRO CC(C)(C)CN(c1nc(Cl)ncc1[N+](=O)[O-])[C@H]1CC[C@H]([NH3+])CC1 ZINC001161676943 1382478156 /nfs/dbraw/zinc/47/81/56/1382478156.db2.gz FQUHUCNSUBWBQP-XYPYZODXSA-N 1 0 341.843 3.161 20 5 EGBDRO C[NH+](C)CCCCNc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC001161728817 1382490393 /nfs/dbraw/zinc/49/03/93/1382490393.db2.gz XNQYLXSZXDEZNU-UHFFFAOYSA-N 1 0 344.415 3.323 20 5 EGBDRO Cc1cc(C(=O)NCCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c(C)s1 ZINC001161978148 1382584544 /nfs/dbraw/zinc/58/45/44/1382584544.db2.gz KWVNERQMWOSTMF-UHFFFAOYSA-N 1 0 347.440 3.183 20 5 EGBDRO Cc1oc(C)c(C(=O)NCCC[NH2+]Cc2ccccc2[N+](=O)[O-])c1C ZINC001162103518 1382630028 /nfs/dbraw/zinc/63/00/28/1382630028.db2.gz GPMQMOJCDIXNLC-UHFFFAOYSA-N 1 0 345.399 3.023 20 5 EGBDRO Cc1nc(N[C@@H]2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])c(C)c1Br ZINC001162402703 1382747948 /nfs/dbraw/zinc/74/79/48/1382747948.db2.gz VTZCTDUKWGJSHG-VHSXEESVSA-N 1 0 343.225 3.051 20 5 EGBDRO [NH3+]Cc1cccc(-c2cncn2-c2nccc3ccc([N+](=O)[O-])cc32)c1 ZINC001162565011 1382791973 /nfs/dbraw/zinc/79/19/73/1382791973.db2.gz OGKMZWRMCHJUJB-UHFFFAOYSA-N 1 0 345.362 3.454 20 5 EGBDRO O=[N+]([O-])c1cc(N[C@@]23CCC[C@@H]2[NH2+]CC3)ccc1OC(F)(F)F ZINC001162983229 1382937533 /nfs/dbraw/zinc/93/75/33/1382937533.db2.gz RYDQDKMLAPJPDN-QWHCGFSZSA-N 1 0 331.294 3.190 20 5 EGBDRO CC(C)Oc1nc(N[C@H]2CC[N@@H+](C(C)C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC001163368619 1383034181 /nfs/dbraw/zinc/03/41/81/1383034181.db2.gz AADAPORZSCPDHW-KGLIPLIRSA-N 1 0 336.436 3.308 20 5 EGBDRO Cc1ccnc(-n2c3ccccc3nc2C2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001163760075 1383118792 /nfs/dbraw/zinc/11/87/92/1383118792.db2.gz NDNIWLNBBCBOFM-UHFFFAOYSA-N 1 0 337.383 3.104 20 5 EGBDRO Cc1c(C)n(-c2cccc3ncc([N+](=O)[O-])n32)c2ccc(C[NH3+])cc12 ZINC001163762015 1383119096 /nfs/dbraw/zinc/11/90/96/1383119096.db2.gz SKUZNDKRXUPSLL-UHFFFAOYSA-N 1 0 335.367 3.262 20 5 EGBDRO [NH3+]Cc1cc2cc(Cl)ccc2n1-c1ccc2ncc([N+](=O)[O-])n2c1 ZINC001163897042 1383133870 /nfs/dbraw/zinc/13/38/70/1383133870.db2.gz ACRXIRHJUYNQKG-UHFFFAOYSA-N 1 0 341.758 3.299 20 5 EGBDRO O=C(NCCC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1)C1=CCCC1 ZINC001164058281 1383151549 /nfs/dbraw/zinc/15/15/49/1383151549.db2.gz GVQFTUCYYCGRTD-UHFFFAOYSA-N 1 0 343.427 3.081 20 5 EGBDRO C[C@@H]1CC[C@H](C[NH3+])N(c2nc3ccccc3c(Cl)c2[N+](=O)[O-])C1 ZINC001164069377 1383152822 /nfs/dbraw/zinc/15/28/22/1383152822.db2.gz JWXCSEQPBBEGLL-GHMZBOCLSA-N 1 0 334.807 3.360 20 5 EGBDRO CC(C)N(CCC[NH3+])c1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC001164121635 1383158319 /nfs/dbraw/zinc/15/83/19/1383158319.db2.gz RQGVXENDPYAIDH-UHFFFAOYSA-N 1 0 344.415 3.132 20 5 EGBDRO O=[N+]([O-])c1ccc2ccc(N3CC[NH2+][C@@H](Cc4ccccc4)C3)nc2c1 ZINC001164608553 1383207341 /nfs/dbraw/zinc/20/73/41/1383207341.db2.gz TWHGAMBBJJXGFD-KRWDZBQOSA-N 1 0 348.406 3.164 20 5 EGBDRO Cc1cnc(N2C[C@H]3[C@@H](CC[N@@H+]3Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001165085210 1383225148 /nfs/dbraw/zinc/22/51/48/1383225148.db2.gz MAZQHYWBXCENNT-WMZOPIPTSA-N 1 0 338.411 3.009 20 5 EGBDRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1c1cccc([N+](=O)[O-])n1 ZINC001165201112 1383246793 /nfs/dbraw/zinc/24/67/93/1383246793.db2.gz JUFNQGYPPLWJHC-LSDHHAIUSA-N 1 0 326.400 3.089 20 5 EGBDRO O=[N+]([O-])c1cccc2ccc(N3C[C@H]4c5ccccc5C[NH2+][C@@H]4C3)nc21 ZINC001165351986 1383280404 /nfs/dbraw/zinc/28/04/04/1383280404.db2.gz PHRJGURGISBHRU-DLBZAZTESA-N 1 0 346.390 3.219 20 5 EGBDRO CC1(C)CC([NH3+])CC(C)(C)N1c1ncc2cccc([N+](=O)[O-])c2n1 ZINC001167624204 1383691083 /nfs/dbraw/zinc/69/10/83/1383691083.db2.gz BQDZVWZYHBJVTD-UHFFFAOYSA-N 1 0 329.404 3.023 20 5 EGBDRO [NH3+][C@@H]1CCc2nn(-c3nc4c(ccc5ccccc54)nc3Cl)cc2C1 ZINC001168815880 1384016563 /nfs/dbraw/zinc/01/65/63/1384016563.db2.gz LLYJAWIBPQVAJF-CYBMUJFWSA-N 1 0 349.825 3.438 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2cc(F)cc(Br)c2)C1 ZINC001168956372 1384070717 /nfs/dbraw/zinc/07/07/17/1384070717.db2.gz DSVQCVIDJQUERU-RNCFNFMXSA-N 1 0 331.185 3.123 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CCc2ccccc2Br)C1 ZINC001168960782 1384071707 /nfs/dbraw/zinc/07/17/07/1384071707.db2.gz HBRHTASATPBIHF-DGCLKSJQSA-N 1 0 327.222 3.027 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C[C@H](O)c2c(Cl)cccc2Cl)C1 ZINC001168980413 1384077881 /nfs/dbraw/zinc/07/78/81/1384077881.db2.gz DJJMWIBSJDRZDV-NRUUGDAUSA-N 1 0 333.215 3.062 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCC(c3nc4ccccc4o3)CC2)C1 ZINC001169007622 1384087750 /nfs/dbraw/zinc/08/77/50/1384087750.db2.gz ORHLQMSHBYQZGE-ZFWWWQNUSA-N 1 0 329.400 3.453 20 5 EGBDRO C[C@@H]1C[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)[C@@H](C)CN1Cc1ccccc1 ZINC001169010152 1384088580 /nfs/dbraw/zinc/08/85/80/1384088580.db2.gz YXIDELSPCXKCLP-NEPXVJNWSA-N 1 0 331.460 3.027 20 5 EGBDRO C[N@H+](Cc1ccc(Br)cc1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169023882 1384092618 /nfs/dbraw/zinc/09/26/18/1384092618.db2.gz GDRDITBJKAFMSH-JSGCOSHPSA-N 1 0 327.222 3.326 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2Cc3cccc(Br)c3C2)C1 ZINC001169036307 1384096590 /nfs/dbraw/zinc/09/65/90/1384096590.db2.gz NIAGSOPIUZQYLU-CMPLNLGQSA-N 1 0 325.206 3.210 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H](n2nc(C3CC[NH2+]CC3)c3ccc(F)cc32)C1 ZINC001169037509 1384096977 /nfs/dbraw/zinc/09/69/77/1384096977.db2.gz RZVUOYQORFYAEG-IUODEOHRSA-N 1 0 346.406 3.260 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCc3ccc(OC(F)(F)F)cc3C2)C1 ZINC001169044576 1384099403 /nfs/dbraw/zinc/09/94/03/1384099403.db2.gz IKXFHAVVRRREDS-RISCZKNCSA-N 1 0 344.333 3.389 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCC(n3cnc4ccccc43)CC2)C1 ZINC001169055334 1384101597 /nfs/dbraw/zinc/10/15/97/1384101597.db2.gz PRTOLULGMVEBMA-GOEBONIOSA-N 1 0 328.416 3.119 20 5 EGBDRO CC1(C)C[C@@H](Nc2c(Cl)cncc2[N+](=O)[O-])C[C@@](C)(C[NH3+])C1 ZINC001169143563 1384113319 /nfs/dbraw/zinc/11/33/19/1384113319.db2.gz KPHNTHJQVPOXKE-MEBBXXQBSA-N 1 0 326.828 3.021 20 5 EGBDRO O=[N+]([O-])c1ccc2nc(Cl)c(NCC34CC[NH+](CC3)CC4)nc2c1 ZINC001169794583 1384186669 /nfs/dbraw/zinc/18/66/69/1384186669.db2.gz PYBJHVPVNIUCEM-UHFFFAOYSA-N 1 0 347.806 3.089 20 5 EGBDRO COc1ccc(C[C@H](C)N2CC[C@@H]([NH3+])c3ccccc32)c([N+](=O)[O-])c1 ZINC001170305820 1384286899 /nfs/dbraw/zinc/28/68/99/1384286899.db2.gz QFQWNWBQIPDQIO-SUMWQHHRSA-N 1 0 341.411 3.445 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+]CCCc2ccc(C)nc2)c([N+](=O)[O-])c1 ZINC001170304902 1384286935 /nfs/dbraw/zinc/28/69/35/1384286935.db2.gz HSOWHOLPDANFRP-HNNXBMFYSA-N 1 0 343.427 3.460 20 5 EGBDRO COc1ccc(C[C@H](C)N(C(N)=[NH2+])c2ccccc2F)c([N+](=O)[O-])c1 ZINC001170307552 1384287331 /nfs/dbraw/zinc/28/73/31/1384287331.db2.gz HKJDYGOGPSHCBB-NSHDSACASA-N 1 0 346.362 3.074 20 5 EGBDRO COc1ccc(CC[NH2+][C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC001170306498 1384287358 /nfs/dbraw/zinc/28/73/58/1384287358.db2.gz WEXDJYWBBMIQCF-AWEZNQCLSA-N 1 0 344.411 3.375 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2cc(F)cc(OC)c2)c([N+](=O)[O-])c1 ZINC001170313533 1384288381 /nfs/dbraw/zinc/28/83/81/1384288381.db2.gz NZQYDPLAFLZVSV-GFCCVEGCSA-N 1 0 348.374 3.472 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+]CCC(=O)c2ccccc2)c([N+](=O)[O-])c1 ZINC001170315417 1384289344 /nfs/dbraw/zinc/28/93/44/1384289344.db2.gz XQOOLPJGKNBNFY-AWEZNQCLSA-N 1 0 342.395 3.397 20 5 EGBDRO COc1ccc(C[C@H](C)N2CCC([NH3+])(CC3CC3)CC2)c([N+](=O)[O-])c1 ZINC001170323844 1384291356 /nfs/dbraw/zinc/29/13/56/1384291356.db2.gz MOLSPCWLXMTPKG-AWEZNQCLSA-N 1 0 347.459 3.128 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+][C@@H]2Cc3ccc(F)cc3C2)c([N+](=O)[O-])c1 ZINC001170326587 1384292117 /nfs/dbraw/zinc/29/21/17/1384292117.db2.gz NFQPZEHPBRAXIX-YVEFUNNKSA-N 1 0 344.386 3.431 20 5 EGBDRO COc1ccc(C[C@H](C)[N@@H+]2CCC[C@](C)(O)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC001170334131 1384293705 /nfs/dbraw/zinc/29/37/05/1384293705.db2.gz BYNRYZMIPRCGMB-DEYYWGMASA-N 1 0 336.432 3.017 20 5 EGBDRO COc1ccc(C[C@H](C)N2CC[C@@H]([NH+]3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC001170347982 1384296883 /nfs/dbraw/zinc/29/68/83/1384296883.db2.gz ULAZYENIIQADKL-DOTOQJQBSA-N 1 0 347.459 3.095 20 5 EGBDRO C[NH2+]Cc1cccc(N[C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])c1 ZINC001170350669 1384298153 /nfs/dbraw/zinc/29/81/53/1384298153.db2.gz BYMIDVQCGJDYRD-CYBMUJFWSA-N 1 0 329.400 3.366 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(N(CC[NH3+])C23CC4CC(CC(C4)C2)C3)n1 ZINC001170626665 1384353522 /nfs/dbraw/zinc/35/35/22/1384353522.db2.gz JHAKKTNKZLKFLG-UHFFFAOYSA-N 1 0 330.432 3.032 20 5 EGBDRO CC[C@@H]1OCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Br ZINC001171037137 1384434359 /nfs/dbraw/zinc/43/43/59/1384434359.db2.gz VKWJPONNVZXJTO-OLZOCXBDSA-N 1 0 329.194 3.014 20 5 EGBDRO [NH3+][C@H]1CCc2c3ccccc3n(-c3c(Cl)nccc3[N+](=O)[O-])c2C1 ZINC001171093439 1384444527 /nfs/dbraw/zinc/44/45/27/1384444527.db2.gz BEOAJAISUCRXOA-JTQLQIEISA-N 1 0 342.786 3.403 20 5 EGBDRO CCCSc1nc(Cl)c([N+](=O)[O-])c(NC[C@H]2CCCC[NH2+]2)n1 ZINC001171326639 1384495082 /nfs/dbraw/zinc/49/50/82/1384495082.db2.gz DFCNDOIWEOKIEB-SECBINFHSA-N 1 0 345.856 3.094 20 5 EGBDRO [NH3+]C[C@H]1COc2ccccc2N1c1ccc2cnccc2c1[N+](=O)[O-] ZINC001171394879 1384512243 /nfs/dbraw/zinc/51/22/43/1384512243.db2.gz VNLXDMHHBJYNFG-ZDUSSCGKSA-N 1 0 336.351 3.001 20 5 EGBDRO C[NH+](C)CCOc1cc(NC(C)(C)c2ccncc2)ccc1[N+](=O)[O-] ZINC001171517294 1384549102 /nfs/dbraw/zinc/54/91/02/1384549102.db2.gz REJZFEIGTARIPS-UHFFFAOYSA-N 1 0 344.415 3.277 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@@H](CO)c1cccc(F)c1)CC2 ZINC001172910934 1384876143 /nfs/dbraw/zinc/87/61/43/1384876143.db2.gz DVVHHVUKJOTPGS-HKUYNNGSSA-N 1 0 344.386 3.305 20 5 EGBDRO Cc1noc([C@H]2CC[N@@H+]([C@H]3CCc4ccc([N+](=O)[O-])cc4CC3)C2)n1 ZINC001172919632 1384879410 /nfs/dbraw/zinc/87/94/10/1384879410.db2.gz GXKCCCOJCIXSGY-HOTGVXAUSA-N 1 0 342.399 3.023 20 5 EGBDRO COc1cccc(C[NH2+][C@@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])c1 ZINC001173175761 1384931983 /nfs/dbraw/zinc/93/19/83/1384931983.db2.gz SFMIIGRMVRMGJG-LBPRGKRZSA-N 1 0 348.374 3.472 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C2(c3ccccn3)CC2)c1F ZINC001173190018 1384932975 /nfs/dbraw/zinc/93/29/75/1384932975.db2.gz UBQKNAQEIMHNDI-LBPRGKRZSA-N 1 0 345.374 3.347 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2CC[C@]3(CC3(F)F)C2)c1F ZINC001173188518 1384933206 /nfs/dbraw/zinc/93/32/06/1384933206.db2.gz GIFOLCYOKFYYAY-BMIGLBTASA-N 1 0 344.333 3.405 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1C[C@H](CC[NH3+])c2ccccc21 ZINC001173215998 1384937635 /nfs/dbraw/zinc/93/76/35/1384937635.db2.gz GVTUQQSHHCGBTB-HOCLYGCPSA-N 1 0 325.412 3.478 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CCN1C(=O)OC(C)(C)C ZINC001173217801 1384937811 /nfs/dbraw/zinc/93/78/11/1384937811.db2.gz MGJCWDSHYGXAQL-CZUORRHYSA-N 1 0 349.431 3.125 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC1(c2ncccc2F)CC1 ZINC001173228164 1384939786 /nfs/dbraw/zinc/93/97/86/1384939786.db2.gz HYAXEMGFIXLYSG-CYBMUJFWSA-N 1 0 329.375 3.381 20 5 EGBDRO COC(=O)CC[N@H+]([C@H](C)Cc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC001173225018 1384940006 /nfs/dbraw/zinc/94/00/06/1384940006.db2.gz AUBSCLHFQXHNKQ-CQSZACIVSA-N 1 0 334.416 3.334 20 5 EGBDRO COc1ccc(C2(C[NH2+][C@H](C)Cc3ccc([N+](=O)[O-])cc3)CC2)nc1 ZINC001173226664 1384940313 /nfs/dbraw/zinc/94/03/13/1384940313.db2.gz YLTGZAXIMQFOAI-CQSZACIVSA-N 1 0 341.411 3.251 20 5 EGBDRO COC(=O)c1cccc(C[N@H+](C)[C@H](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001173229858 1384940708 /nfs/dbraw/zinc/94/07/08/1384940708.db2.gz AXKJJPLZHNBZPN-CQSZACIVSA-N 1 0 342.395 3.444 20 5 EGBDRO CCc1nc(C2CC[NH+]([C@H](C)Cc3ccc([N+](=O)[O-])cc3)CC2)no1 ZINC001173231268 1384940818 /nfs/dbraw/zinc/94/08/18/1384940818.db2.gz AIRXXOCTKSJTLJ-CYBMUJFWSA-N 1 0 344.415 3.351 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1c2ccccc2CC[C@@H]1O ZINC001173232026 1384941635 /nfs/dbraw/zinc/94/16/35/1384941635.db2.gz CIRPPQVSAMAUEB-VMDGZTHMSA-N 1 0 326.396 3.164 20 5 EGBDRO Cc1nnc([C@@H]2CCC[N@@H+]([C@H](C)Cc3ccc([N+](=O)[O-])cc3)C2)o1 ZINC001173233855 1384941689 /nfs/dbraw/zinc/94/16/89/1384941689.db2.gz ZZRWVZXMWFWFHM-IUODEOHRSA-N 1 0 330.388 3.097 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](Oc2ccncc2)C1 ZINC001173236875 1384942024 /nfs/dbraw/zinc/94/20/24/1384942024.db2.gz FPTNAVJOZNTMQK-KXBFYZLASA-N 1 0 341.411 3.464 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCC(=O)OCc1ccccc1 ZINC001173234405 1384942187 /nfs/dbraw/zinc/94/21/87/1384942187.db2.gz ONLIOOJCZVONTF-HNNXBMFYSA-N 1 0 342.395 3.249 20 5 EGBDRO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC001318396556 1385671394 /nfs/dbraw/zinc/67/13/94/1385671394.db2.gz IDIITDNKJBQMHX-UONOGXRCSA-N 1 0 340.811 3.243 20 5 EGBDRO C[C@H](CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)[NH+]1CCCCC1 ZINC001319016476 1385926808 /nfs/dbraw/zinc/92/68/08/1385926808.db2.gz NGTVTHSPODSZJF-CQSZACIVSA-N 1 0 348.447 3.004 20 5 EGBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC001319086532 1385956571 /nfs/dbraw/zinc/95/65/71/1385956571.db2.gz RBROIBSSUSMWNC-UHFFFAOYSA-N 1 0 348.447 3.021 20 5 EGBDRO CC(F)(F)C(=O)NCCCCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001177734075 1386030537 /nfs/dbraw/zinc/03/05/37/1386030537.db2.gz FWSMKXXNKQAVKP-UHFFFAOYSA-N 1 0 343.374 3.016 20 5 EGBDRO Cc1ccc(C[N@@H+]2CCCN(c3nc(C)ccc3[N+](=O)[O-])CC2)cc1 ZINC001319281823 1386039950 /nfs/dbraw/zinc/03/99/50/1386039950.db2.gz CPGUFVMOZYYOAC-UHFFFAOYSA-N 1 0 340.427 3.319 20 5 EGBDRO CC1(C(=O)NCCCCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001178539588 1386244164 /nfs/dbraw/zinc/24/41/64/1386244164.db2.gz IYTMLHKBANBIQQ-UHFFFAOYSA-N 1 0 333.432 3.161 20 5 EGBDRO COc1cc(C[N@H+](C)[C@H]2CC[C@H](SC)C2)c([N+](=O)[O-])cc1OC ZINC001319718502 1386267196 /nfs/dbraw/zinc/26/71/96/1386267196.db2.gz PZGBNFVEOWKGDJ-STQMWFEESA-N 1 0 340.445 3.328 20 5 EGBDRO CCC[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC001319851419 1386334130 /nfs/dbraw/zinc/33/41/30/1386334130.db2.gz LMNCZUYNGRXCNL-XMTFNYHQSA-N 1 0 348.443 3.154 20 5 EGBDRO C[C@H](C[NH+]1CCC(C)CC1)c1nnc(-c2cccc([N+](=O)[O-])c2N)o1 ZINC001322538330 1387202491 /nfs/dbraw/zinc/20/24/91/1387202491.db2.gz RCNXENIBVLYLBS-GFCCVEGCSA-N 1 0 345.403 3.062 20 5 EGBDRO C[C@H]1CCCN(c2ncnc3c(Cl)cc([N+](=O)[O-])cc32)[C@@H]1CC[NH3+] ZINC001329734558 1389213280 /nfs/dbraw/zinc/21/32/80/1389213280.db2.gz NOLVIDZGEKKDKJ-IINYFYTJSA-N 1 0 349.822 3.145 20 5 EGBDRO CC(=O)c1cc(NC2CCN(c3cc[nH+]cc3)CC2)ccc1[N+](=O)[O-] ZINC001338190421 1389578425 /nfs/dbraw/zinc/57/84/25/1389578425.db2.gz GKNBHSDMQLYGSJ-UHFFFAOYSA-N 1 0 340.383 3.273 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2ncn(C[N@@H+]3CC[C@H]4CCCC[C@H]4C3)n2)c1 ZINC001338782559 1389762428 /nfs/dbraw/zinc/76/24/28/1389762428.db2.gz RUCTVYJOHLDBEO-ZBFHGGJFSA-N 1 0 341.415 3.323 20 5 EGBDRO CO[C@H]1CC[C@H]([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC001333001519 1390234348 /nfs/dbraw/zinc/23/43/48/1390234348.db2.gz WELQSDKWFDDVGN-YUMQZZPRSA-N 1 0 335.223 3.076 20 5 EGBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H](C[NH3+])C1CCCCCC1 ZINC001341306589 1390468923 /nfs/dbraw/zinc/46/89/23/1390468923.db2.gz IIOCSQZSSOFYGQ-INIZCTEOSA-N 1 0 333.432 3.099 20 5 EGBDRO O=[N+]([O-])c1cccc(CC[NH2+]Cc2cnc(CC(F)(F)F)s2)c1 ZINC001334982653 1390628133 /nfs/dbraw/zinc/62/81/33/1390628133.db2.gz PWPLDWVPYBHCIV-UHFFFAOYSA-N 1 0 345.346 3.488 20 5 EGBDRO C[C@H](NC(=O)C[C@H]1[NH2+]Cc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC001344790034 1390815060 /nfs/dbraw/zinc/81/50/60/1390815060.db2.gz SVGHPXYMEVDWHZ-YVEFUNNKSA-N 1 0 325.368 3.007 20 5 EGBDRO C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NC(C)(C)c3ccc([N+](=O)[O-])cc3)C[N@@H+]2C1 ZINC001346984363 1390990679 /nfs/dbraw/zinc/99/06/79/1390990679.db2.gz AAKRTSWABPUOIE-CPUCHLNUSA-N 1 0 345.443 3.067 20 5 EGBDRO Cc1cc(N2CCC(O)(C(C)C)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC001348587921 1391241853 /nfs/dbraw/zinc/24/18/53/1391241853.db2.gz RTGMBCDAXANRSI-UHFFFAOYSA-N 1 0 329.400 3.439 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1-c1noc(C[C@@H](C)[C@@H]2CCC[NH2+]C2)n1 ZINC001349330370 1391321660 /nfs/dbraw/zinc/32/16/60/1391321660.db2.gz IOVSFPGWDBNBRH-BXUZGUMPSA-N 1 0 344.415 3.440 20 5 EGBDRO Cc1cc(NC(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)cc([N+](=O)[O-])c1 ZINC001350262381 1391438397 /nfs/dbraw/zinc/43/83/97/1391438397.db2.gz NAMDQDIHQSDCBS-OAHLLOKOSA-N 1 0 346.431 3.099 20 5 EGBDRO CC(C)(C)CC(=O)NCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001753150423 1440327834 /nfs/dbraw/zinc/32/78/34/1440327834.db2.gz FVYUYXDCUIOJKJ-UHFFFAOYSA-N 1 0 333.432 3.112 20 5 EGBDRO CC/C(C)=C\C(=O)NCC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001753153298 1440329349 /nfs/dbraw/zinc/32/93/49/1440329349.db2.gz PDWSAXCDNGAYPB-KAMYIIQDSA-N 1 0 331.416 3.032 20 5 EGBDRO CCN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)C1(C)CCCC1 ZINC001754058924 1440536666 /nfs/dbraw/zinc/53/66/66/1440536666.db2.gz HQMJCRXNOYWMLH-UHFFFAOYSA-N 1 0 339.461 3.175 20 5 EGBDRO CN(CCC[N@H+](C)Cc1ccccc1[N+](=O)[O-])C(=O)c1cccs1 ZINC001755032847 1440732338 /nfs/dbraw/zinc/73/23/38/1440732338.db2.gz WQJBBUXPHPRUFT-UHFFFAOYSA-N 1 0 347.440 3.250 20 5 EGBDRO Cc1c(C[NH2+][C@H](CO)Cc2c[nH]c3ccccc23)cccc1[N+](=O)[O-] ZINC000873051372 1126117498 /nfs/dbraw/zinc/11/74/98/1126117498.db2.gz AJGWCJCCKMBGOY-INIZCTEOSA-N 1 0 339.395 3.078 20 5 EGBDRO C[C@H](NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000056382922 214373632 /nfs/dbraw/zinc/37/36/32/214373632.db2.gz SPCBDKHDEWRUHA-LBPRGKRZSA-N 1 0 348.447 3.264 20 5 EGBDRO Cc1[nH+]ccc(N2CCN(c3ccccc3[N+](=O)[O-])CC2)c1Cl ZINC000350292024 282187677 /nfs/dbraw/zinc/18/76/77/282187677.db2.gz WXOVVRHBHLEEOK-UHFFFAOYSA-N 1 0 332.791 3.278 20 5 EGBDRO Cc1ccccc1[C@H](C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000182176227 234484520 /nfs/dbraw/zinc/48/45/20/234484520.db2.gz ZHIUBRIDXQVELS-AWEZNQCLSA-N 1 0 348.424 3.028 20 5 EGBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H](c2ccccc2)C2CC2)c1 ZINC000023678826 202107542 /nfs/dbraw/zinc/10/75/42/202107542.db2.gz ZNSVXXABKYUTSF-IEBWSBKVSA-N 1 0 342.395 3.075 20 5 EGBDRO Cc1c(NC(=O)NCCC[NH+]2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC000043347727 201101669 /nfs/dbraw/zinc/10/16/69/201101669.db2.gz ZLJKCLLZTAGPPP-UHFFFAOYSA-N 1 0 334.420 3.147 20 5 EGBDRO COc1ccc(NC(=O)C[N@H+](CC2CCC2)C(C)C)c([N+](=O)[O-])c1 ZINC000193209242 240059959 /nfs/dbraw/zinc/05/99/59/240059959.db2.gz HNHRBWBHKLAKSE-UHFFFAOYSA-N 1 0 335.404 3.052 20 5 EGBDRO Cc1cccc(C(=O)NCCC[N@@H+](C)C2CCCCC2)c1[N+](=O)[O-] ZINC000069500290 203010838 /nfs/dbraw/zinc/01/08/38/203010838.db2.gz XZZKEZNYOFSKMX-UHFFFAOYSA-N 1 0 333.432 3.288 20 5 EGBDRO CCCO[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000108398095 204260343 /nfs/dbraw/zinc/26/03/43/204260343.db2.gz ZZGRLHIWECPJDY-OAHLLOKOSA-N 1 0 349.431 3.205 20 5 EGBDRO Cc1c([C@@H](C)NC2CC[NH+](C[C@@H]3CCOC3)CC2)cccc1[N+](=O)[O-] ZINC000132961256 205349938 /nfs/dbraw/zinc/34/99/38/205349938.db2.gz SHFABLLCWMPKEU-CVEARBPZSA-N 1 0 347.459 3.055 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000133012023 205352089 /nfs/dbraw/zinc/35/20/89/205352089.db2.gz BKLDCZBAVCKNPX-UHFFFAOYSA-N 1 0 348.447 3.489 20 5 EGBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CCC[C@@H](C)C1 ZINC000264941987 247069585 /nfs/dbraw/zinc/06/95/85/247069585.db2.gz SBUDBRQMKUZFCE-NEPJUHHUSA-N 1 0 339.823 3.098 20 5 EGBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000266282113 248221622 /nfs/dbraw/zinc/22/16/22/248221622.db2.gz AECNTIWZAYEQSK-ZDUSSCGKSA-N 1 0 345.399 3.145 20 5 EGBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@H](O)c1c(F)cccc1F ZINC000266292489 248229365 /nfs/dbraw/zinc/22/93/65/248229365.db2.gz KBBSYCOEPDHHCM-WBVHZDCISA-N 1 0 336.338 3.475 20 5 EGBDRO CC(C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000266374867 248271652 /nfs/dbraw/zinc/27/16/52/248271652.db2.gz MEWVVRLCMYKXBB-UHFFFAOYSA-N 1 0 329.347 3.163 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000408441226 169177518 /nfs/dbraw/zinc/17/75/18/169177518.db2.gz DESUGTPBKULLAG-JYJNAYRXSA-N 1 0 345.443 3.381 20 5 EGBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000094129496 218265617 /nfs/dbraw/zinc/26/56/17/218265617.db2.gz XKXVCVHUALPSTE-HNNXBMFYSA-N 1 0 333.432 3.124 20 5 EGBDRO C[C@H]([NH2+]C[C@H](CO)Cc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000268852241 252300835 /nfs/dbraw/zinc/30/08/35/252300835.db2.gz PXKOEESMZFPKRY-DZGCQCFKSA-N 1 0 332.375 3.236 20 5 EGBDRO Cc1c(C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cccc1[N+](=O)[O-] ZINC000181533849 207953308 /nfs/dbraw/zinc/95/33/08/207953308.db2.gz UMMZPZUASQQBAC-GJZGRUSLSA-N 1 0 345.443 3.286 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[NH2+]Cc1ccc(Cl)cc1-n1cncn1 ZINC000353945166 285160956 /nfs/dbraw/zinc/16/09/56/285160956.db2.gz NYLATYXUIANXOT-UHFFFAOYSA-N 1 0 343.774 3.119 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1CCCC1(C)C ZINC000191858013 533137699 /nfs/dbraw/zinc/13/76/99/533137699.db2.gz BPAXDPWNLCCYQU-OAHLLOKOSA-N 1 0 335.404 3.100 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c1 ZINC000268932258 255498546 /nfs/dbraw/zinc/49/85/46/255498546.db2.gz CMPPUJZKUZFYLG-ROUUACIJSA-N 1 0 333.432 3.083 20 5 EGBDRO C[C@@H]1C[C@@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CN1C1CC1 ZINC000166246731 533658374 /nfs/dbraw/zinc/65/83/74/533658374.db2.gz CMYQWAHTNSWSIP-QBIMZIAESA-N 1 0 329.444 3.131 20 5 EGBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000346212360 141181761 /nfs/dbraw/zinc/18/17/61/141181761.db2.gz WYSMVZIFRSGNNK-VXGBXAGGSA-N 1 0 339.823 3.098 20 5 EGBDRO CCN(CC)[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1ccco1 ZINC000350620036 141256111 /nfs/dbraw/zinc/25/61/11/141256111.db2.gz SSZNHKZYQHGAIF-MRXNPFEDSA-N 1 0 335.379 3.500 20 5 EGBDRO O=[N+]([O-])c1cccc(C[NH+]2CCC(O)(Cc3cccc(F)c3)CC2)c1 ZINC000186592961 144138016 /nfs/dbraw/zinc/13/80/16/144138016.db2.gz JTTZBPGYJFNRKC-UHFFFAOYSA-N 1 0 344.386 3.304 20 5 EGBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000344648519 144204481 /nfs/dbraw/zinc/20/44/81/144204481.db2.gz CXHGUUMDZGWWMD-AWEZNQCLSA-N 1 0 339.823 3.098 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCOc1ncccc1F ZINC000344818797 144227371 /nfs/dbraw/zinc/22/73/71/144227371.db2.gz VDWFRFLROXRGQJ-RAXLEYEMSA-N 1 0 331.347 3.201 20 5 EGBDRO COCC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)CC(C)C ZINC000351586336 144284094 /nfs/dbraw/zinc/28/40/94/144284094.db2.gz WEMINROPTQISIB-UHFFFAOYSA-N 1 0 332.347 3.301 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3cccc(Cl)c3)C2)nc1 ZINC000118866816 152158351 /nfs/dbraw/zinc/15/83/51/152158351.db2.gz DBLGOHBFSUCVHS-AWEZNQCLSA-N 1 0 332.791 3.330 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]CCCN2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000119902728 152236763 /nfs/dbraw/zinc/23/67/63/152236763.db2.gz FFNHNMHOSCKPIV-XHSDSOJGSA-N 1 0 335.448 3.053 20 5 EGBDRO CC[C@H]([NH2+]CCCN1C[C@@H](C)O[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000119926640 152238918 /nfs/dbraw/zinc/23/89/18/152238918.db2.gz ZOIYPBFYGVFJHD-RKVPGOIHSA-N 1 0 335.448 3.135 20 5 EGBDRO CC[C@H](COC)[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000120206498 152260018 /nfs/dbraw/zinc/26/00/18/152260018.db2.gz RJNCGNVTELGOMH-GFCCVEGCSA-N 1 0 334.372 3.378 20 5 EGBDRO CCn1nc(C)c([N+](=O)[O-])c1NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000192642283 153252078 /nfs/dbraw/zinc/25/20/78/153252078.db2.gz OEPVURJTYMQXPT-CQSZACIVSA-N 1 0 345.447 3.442 20 5 EGBDRO CCn1nc(C)c([N+](=O)[O-])c1N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000192757447 153258844 /nfs/dbraw/zinc/25/88/44/153258844.db2.gz JZECNZNYIGWHRS-GXTWGEPZSA-N 1 0 335.452 3.185 20 5 EGBDRO Nc1ccc([N+](=O)[O-])c(NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000193541826 153295022 /nfs/dbraw/zinc/29/50/22/153295022.db2.gz SHUIXEJEYONMRE-HNNXBMFYSA-N 1 0 326.400 3.111 20 5 EGBDRO Cc1cc(N[C@H](C)[C@H]2CCC[NH2+]C2)c(Br)cc1[N+](=O)[O-] ZINC000235260308 153447836 /nfs/dbraw/zinc/44/78/36/153447836.db2.gz NXRGVSKJWRPISC-MNOVXSKESA-N 1 0 342.237 3.466 20 5 EGBDRO C[C@@H]1CCC[C@](CNc2nc3sccn3c2[N+](=O)[O-])([NH+](C)C)C1 ZINC000319967956 154163582 /nfs/dbraw/zinc/16/35/82/154163582.db2.gz BVVXWJYUZWUTMU-ABAIWWIYSA-N 1 0 337.449 3.226 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCCC[C@@H]1OC(F)F ZINC000337395019 154331105 /nfs/dbraw/zinc/33/11/05/154331105.db2.gz IPZVLIIKRBRALX-JSGCOSHPSA-N 1 0 330.331 3.243 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@H]1c1cccnc1 ZINC000346964025 156219467 /nfs/dbraw/zinc/21/94/67/156219467.db2.gz HTJPFSAFFBEITJ-KRWDZBQOSA-N 1 0 340.383 3.074 20 5 EGBDRO Cc1ccc(-c2n[nH]cc2C[NH2+]CCc2ccc([N+](=O)[O-])cc2)o1 ZINC000058093532 161536849 /nfs/dbraw/zinc/53/68/49/161536849.db2.gz SIRAHOUSSXLBMH-UHFFFAOYSA-N 1 0 326.356 3.219 20 5 EGBDRO O=C(Nc1cccc([N+](=O)[O-])c1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000063321460 161555411 /nfs/dbraw/zinc/55/54/11/161555411.db2.gz ITCWTPOYPFTQCJ-UHFFFAOYSA-N 1 0 346.431 3.371 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCCC[NH+]1CCCCC1 ZINC000093906443 162032679 /nfs/dbraw/zinc/03/26/79/162032679.db2.gz HWECFYIXJBWCMO-UHFFFAOYSA-N 1 0 333.432 3.126 20 5 EGBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000354371096 166011401 /nfs/dbraw/zinc/01/14/01/166011401.db2.gz FOACKZPWJVYJHR-AWEZNQCLSA-N 1 0 344.415 3.070 20 5 EGBDRO CCC[C@@]1(CO)CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000344154343 164115051 /nfs/dbraw/zinc/11/50/51/164115051.db2.gz JBCQUFSBJBKRRN-GOSISDBHSA-N 1 0 336.432 3.367 20 5 EGBDRO CC[C@]1(C)CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000344211239 164128150 /nfs/dbraw/zinc/12/81/50/164128150.db2.gz BAMPRSAFLUEQBU-QGZVFWFLSA-N 1 0 335.404 3.054 20 5 EGBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000344222297 164130078 /nfs/dbraw/zinc/13/00/78/164130078.db2.gz XEQJNANHDJRFET-UHFFFAOYSA-N 1 0 349.406 3.072 20 5 EGBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000344579745 164191565 /nfs/dbraw/zinc/19/15/65/164191565.db2.gz BNBXWFWJSSCQNI-BBWFWOEESA-N 1 0 347.459 3.311 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN(Cc1ccco1)C(C)C ZINC000346347616 164372434 /nfs/dbraw/zinc/37/24/34/164372434.db2.gz NMSZSZHFANSHRS-UHFFFAOYSA-N 1 0 331.372 3.345 20 5 EGBDRO CC(C)(C)[N@@H+]1CC[C@@](F)(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000350398643 165042621 /nfs/dbraw/zinc/04/26/21/165042621.db2.gz MPLFKKGBIDZVML-INIZCTEOSA-N 1 0 334.351 3.314 20 5 EGBDRO O=[N+]([O-])c1cc(F)c(C[NH2+][C@@H]2CCCC23CCOCC3)c(F)c1 ZINC000352372968 165368119 /nfs/dbraw/zinc/36/81/19/165368119.db2.gz ZSTGJTBGHWQQKN-OAHLLOKOSA-N 1 0 326.343 3.312 20 5 EGBDRO CC[N@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)CCC1CC1 ZINC000355050277 166093043 /nfs/dbraw/zinc/09/30/43/166093043.db2.gz APSWQYNWRZMMNL-UHFFFAOYSA-N 1 0 333.388 3.015 20 5 EGBDRO COc1cc(C[NH2+]CCCc2ccccc2F)c([N+](=O)[O-])cc1O ZINC000355606927 166259634 /nfs/dbraw/zinc/25/96/34/166259634.db2.gz LQJZUCMKBGBGCA-UHFFFAOYSA-N 1 0 334.347 3.171 20 5 EGBDRO CC(C)[NH+](CCN(C)C(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(C)C ZINC000355863333 166331596 /nfs/dbraw/zinc/33/15/96/166331596.db2.gz PPUOEGQTRXTNDK-UHFFFAOYSA-N 1 0 341.839 3.439 20 5 EGBDRO CCn1nc(C)c([N+](=O)[O-])c1N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000358959284 167018508 /nfs/dbraw/zinc/01/85/08/167018508.db2.gz WTBVBKUAPPMYJZ-GOEBONIOSA-N 1 0 343.431 3.367 20 5 EGBDRO CC[C@H](C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)[NH+](CC)CC ZINC000359722895 167214006 /nfs/dbraw/zinc/21/40/06/167214006.db2.gz VYBCSOWUJCXKCX-QGZVFWFLSA-N 1 0 333.432 3.206 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CC([C@@H]4CCOC4)C3)o2)cc1 ZINC000366251414 168098891 /nfs/dbraw/zinc/09/88/91/168098891.db2.gz VQWOOXKUISMTQP-CQSZACIVSA-N 1 0 328.368 3.323 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@](CO)(C(C)C)C1 ZINC000368068569 168306604 /nfs/dbraw/zinc/30/66/04/168306604.db2.gz JBXBGSXGBQSFHU-GOSISDBHSA-N 1 0 336.432 3.222 20 5 EGBDRO C[C@@H]1C[C@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CN1C1CC1 ZINC000166246473 226153494 /nfs/dbraw/zinc/15/34/94/226153494.db2.gz CMYQWAHTNSWSIP-SKDZVZGDSA-N 1 0 329.444 3.131 20 5 EGBDRO C[N@@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)C[C@@H]1CCCCO1 ZINC000122999499 222197368 /nfs/dbraw/zinc/19/73/68/222197368.db2.gz KNBVXJRHEPEHLY-LBPRGKRZSA-N 1 0 343.221 3.358 20 5 EGBDRO CCc1ccc(C(=O)NCc2cccc(C[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000174061642 265021690 /nfs/dbraw/zinc/02/16/90/265021690.db2.gz KJZPCYFGRKUFEO-UHFFFAOYSA-N 1 0 341.411 3.149 20 5 EGBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccc(Cl)c(Cl)c1 ZINC000174809460 265073550 /nfs/dbraw/zinc/07/35/50/265073550.db2.gz HAQGDIVMMXYDGY-UHFFFAOYSA-N 1 0 329.187 3.230 20 5 EGBDRO CC[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)CC[C@@H]1c1ccccc1 ZINC000174888202 265077449 /nfs/dbraw/zinc/07/74/49/265077449.db2.gz SVHGWAAYGGCZOB-YJBOKZPZSA-N 1 0 328.416 3.307 20 5 EGBDRO COc1ccc([C@@H]2CCCCC[N@@H+]2CCn2ccc([N+](=O)[O-])n2)cc1 ZINC000176199022 265163391 /nfs/dbraw/zinc/16/33/91/265163391.db2.gz KIOMENGJGFVTNK-KRWDZBQOSA-N 1 0 344.415 3.417 20 5 EGBDRO CCOc1ccc([C@H](C)[NH2+]Cc2ccnc(OC)c2)cc1[N+](=O)[O-] ZINC000179397999 265374420 /nfs/dbraw/zinc/37/44/20/265374420.db2.gz QIQQLPHKYGYKFW-LBPRGKRZSA-N 1 0 331.372 3.248 20 5 EGBDRO C[C@@H]1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@@H](c2ccccc2)CO1 ZINC000269670486 266337325 /nfs/dbraw/zinc/33/73/25/266337325.db2.gz UJHKUTCWPDFQIY-NIKGAXFTSA-N 1 0 342.395 3.090 20 5 EGBDRO O=[N+]([O-])c1ccc(NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc1 ZINC000273293691 267014510 /nfs/dbraw/zinc/01/45/10/267014510.db2.gz ZPTLMARXWPMMLD-LJQANCHMSA-N 1 0 341.411 3.164 20 5 EGBDRO COc1ccc(CC[C@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1O ZINC000277282430 267746909 /nfs/dbraw/zinc/74/69/09/267746909.db2.gz SSBCKYPVMHTLTJ-AWEZNQCLSA-N 1 0 344.411 3.462 20 5 EGBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1NC1CC[NH+](C2CC2)CC1 ZINC000278458206 268017507 /nfs/dbraw/zinc/01/75/07/268017507.db2.gz SJXXPYFCDZFNPI-UHFFFAOYSA-N 1 0 330.310 3.047 20 5 EGBDRO CC(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cc(F)ccc2[N+](=O)[O-])cc1 ZINC000236730936 273563458 /nfs/dbraw/zinc/56/34/58/273563458.db2.gz ZNXOHXATTBVCRY-INIZCTEOSA-N 1 0 345.374 3.287 20 5 EGBDRO O=[N+]([O-])c1cnc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(Cl)c1 ZINC000269455073 275041307 /nfs/dbraw/zinc/04/13/07/275041307.db2.gz WWQFDMAGIXPSMG-NHYWBVRUSA-N 1 0 336.823 3.096 20 5 EGBDRO COC[C@H]([NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000278745991 275270933 /nfs/dbraw/zinc/27/09/33/275270933.db2.gz JXWUQOJRZWQBQQ-LKCYJCQHSA-N 1 0 348.443 3.090 20 5 EGBDRO CCn1nccc1C1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000278883802 275284244 /nfs/dbraw/zinc/28/42/44/275284244.db2.gz NLQJRVCLDGKNGU-UHFFFAOYSA-N 1 0 344.415 3.070 20 5 EGBDRO CC(=O)Nc1ccc(C[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])cn1 ZINC000279106585 275304294 /nfs/dbraw/zinc/30/42/94/275304294.db2.gz OWJLIYQCDKFEDO-ZDUSSCGKSA-N 1 0 342.399 3.059 20 5 EGBDRO CC1(C)C[C@@H]([NH2+]CCC(=O)N2CCCCC2)c2cc([N+](=O)[O-])ccc21 ZINC000279146081 275307770 /nfs/dbraw/zinc/30/77/70/275307770.db2.gz SIFPZMKVOSAZPI-QGZVFWFLSA-N 1 0 345.443 3.309 20 5 EGBDRO COc1ccc([C@H](C[NH+]2CCCC2)Nc2ncc([N+](=O)[O-])s2)cc1 ZINC000281976953 275593179 /nfs/dbraw/zinc/59/31/79/275593179.db2.gz RUVBDOBXVPDANH-AWEZNQCLSA-N 1 0 348.428 3.309 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(C[NH+](C)C)cc2)c1 ZINC000283589595 275736587 /nfs/dbraw/zinc/73/65/87/275736587.db2.gz XFYDJYFSOQEKDM-UHFFFAOYSA-N 1 0 343.383 3.307 20 5 EGBDRO CC(C)(C)[C@@H]1NC(=O)CC[C@H]1[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000285775609 275911114 /nfs/dbraw/zinc/91/11/14/275911114.db2.gz UGIUSUGTTKJSMG-LZLYRXPVSA-N 1 0 345.443 3.255 20 5 EGBDRO O=[N+]([O-])c1cccc(F)c1NCC1([NH+]2CCCCC2)CCOCC1 ZINC000287366301 276112537 /nfs/dbraw/zinc/11/25/37/276112537.db2.gz QEKRRUADMYSZAO-UHFFFAOYSA-N 1 0 337.395 3.181 20 5 EGBDRO COC[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])[C@H]1CCCO1 ZINC000289442096 276339600 /nfs/dbraw/zinc/33/96/00/276339600.db2.gz TYGIGPPHXKVPAP-CHWSQXEVSA-N 1 0 349.214 3.185 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000289624715 276368320 /nfs/dbraw/zinc/36/83/20/276368320.db2.gz BQDBYPARXDWSQR-CQSZACIVSA-N 1 0 334.420 3.105 20 5 EGBDRO Cc1cc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)cc(N2CCCC2)n1 ZINC000289983005 276429670 /nfs/dbraw/zinc/42/96/70/276429670.db2.gz ZTHRSGWGKQBABD-UHFFFAOYSA-N 1 0 326.400 3.188 20 5 EGBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]CCCO[C@@H]1CCOC1 ZINC000290828962 276547376 /nfs/dbraw/zinc/54/73/76/276547376.db2.gz HSXCXOYOINQDLK-GFCCVEGCSA-N 1 0 349.214 3.187 20 5 EGBDRO C[C@H]1[C@H](C)[N@H+](C)CCN1c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000356788837 280111958 /nfs/dbraw/zinc/11/19/58/280111958.db2.gz DRJWKAGBMQCNMU-KBPBESRZSA-N 1 0 326.400 3.186 20 5 EGBDRO C[N@@H+]1CC[C@H]2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000352089140 290233296 /nfs/dbraw/zinc/23/32/96/290233296.db2.gz HRMGJQLEYQZBEV-IINYFYTJSA-N 1 0 329.322 3.144 20 5 EGBDRO COc1cccc(N2CCC[C@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)c1[N+](=O)[O-] ZINC000355338995 295305213 /nfs/dbraw/zinc/30/52/13/295305213.db2.gz HMZGTKWNSQCQER-ZNMIVQPWSA-N 1 0 333.432 3.445 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000067452452 307365622 /nfs/dbraw/zinc/36/56/22/307365622.db2.gz JBZAHNMQAYXDEE-RDTXWAMCSA-N 1 0 339.395 3.359 20 5 EGBDRO C[C@@H](c1ccccc1F)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072665280 307381501 /nfs/dbraw/zinc/38/15/01/307381501.db2.gz JBMOTGUKOBXMFQ-STQMWFEESA-N 1 0 330.363 3.376 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])cn1 ZINC000414100877 309061058 /nfs/dbraw/zinc/06/10/58/309061058.db2.gz BFEPBALSSIMIOH-GFCCVEGCSA-N 1 0 349.818 3.415 20 5 EGBDRO C[NH+](C)Cc1ccc(CNC(=O)Nc2cccc([N+](=O)[O-])c2)cc1F ZINC000135395092 307701881 /nfs/dbraw/zinc/70/18/81/307701881.db2.gz QDHNYBJPEBDGBJ-UHFFFAOYSA-N 1 0 346.362 3.117 20 5 EGBDRO CC(C)c1ccc(C[NH2+][C@@H](CO)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000152721110 307758318 /nfs/dbraw/zinc/75/83/18/307758318.db2.gz ABDLULDKUKAFNW-QGZVFWFLSA-N 1 0 328.412 3.411 20 5 EGBDRO Cc1cccc(OC[C@H](O)C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000152886630 307761252 /nfs/dbraw/zinc/76/12/52/307761252.db2.gz IZBSVEHQQMMNSA-DOTOQJQBSA-N 1 0 344.411 3.302 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@H](C)[C@H]2CCCC[C@H]21 ZINC000248427514 308002986 /nfs/dbraw/zinc/00/29/86/308002986.db2.gz OSXXQLVMJNXVQZ-YSVLISHTSA-N 1 0 331.416 3.352 20 5 EGBDRO COc1ccc(NC(=O)CC[NH2+][C@@H]2CCC[C@@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000249300231 308022251 /nfs/dbraw/zinc/02/22/51/308022251.db2.gz DDNVMJRNQQWVQV-VNHYZAJKSA-N 1 0 349.431 3.346 20 5 EGBDRO CCC[C@@H]1CN(C/C=C\c2ccccc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000255036186 308038099 /nfs/dbraw/zinc/03/80/99/308038099.db2.gz DELODEDGWIPXGY-OTIVFRFGSA-N 1 0 347.459 3.041 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCCO[C@H](CF)C3)o2)cc1 ZINC000414473251 309082556 /nfs/dbraw/zinc/08/25/56/309082556.db2.gz AOJCAXKPLMSFAE-MRXNPFEDSA-N 1 0 334.347 3.415 20 5 EGBDRO O=C(NCCCCC[NH+]1CCCC1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000293917770 308173749 /nfs/dbraw/zinc/17/37/49/308173749.db2.gz LQKNQICLENHVQZ-UHFFFAOYSA-N 1 0 339.823 3.244 20 5 EGBDRO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C[C@@H]1CCC[C@H]1O ZINC000293937502 308175713 /nfs/dbraw/zinc/17/57/13/308175713.db2.gz ZKLUNAFPTNQDLJ-IINYFYTJSA-N 1 0 332.322 3.206 20 5 EGBDRO Cc1ccc([C@@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])[NH+]2CCCC2)cc1 ZINC000294828381 308261760 /nfs/dbraw/zinc/26/17/60/308261760.db2.gz XAZVUVQRQOTFQO-QGZVFWFLSA-N 1 0 347.459 3.084 20 5 EGBDRO COc1cc(C[NH2+]C2CCC(CSC)CC2)c([N+](=O)[O-])cc1O ZINC000295038020 308284377 /nfs/dbraw/zinc/28/43/77/308284377.db2.gz MHOIKZYEWMJWCU-UHFFFAOYSA-N 1 0 340.445 3.320 20 5 EGBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CCC[C@@H]([NH+](C)C)CC1 ZINC000295120960 308293984 /nfs/dbraw/zinc/29/39/84/308293984.db2.gz WSJJSDUDZVAHAE-CYBMUJFWSA-N 1 0 344.415 3.072 20 5 EGBDRO CC[NH+](CC)Cc1cccc(CNc2ncc([N+](=O)[O-])c(C)n2)c1 ZINC000295461810 308329044 /nfs/dbraw/zinc/32/90/44/308329044.db2.gz HXJJMGHMVBYNLI-UHFFFAOYSA-N 1 0 329.404 3.147 20 5 EGBDRO C[C@H](NC(=O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000296725012 308460330 /nfs/dbraw/zinc/46/03/30/308460330.db2.gz NJPHKPNVWFGXSW-RYUDHWBXSA-N 1 0 333.413 3.184 20 5 EGBDRO C[C@@H]1CN(c2ccccc2C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000298769408 308639171 /nfs/dbraw/zinc/63/91/71/308639171.db2.gz DPSCZQBVBCZDAU-OAHLLOKOSA-N 1 0 341.411 3.110 20 5 EGBDRO CC(C)C[C@@H](CNc1ncc([N+](=O)[O-])cc1Br)[NH+](C)C ZINC000301509082 308703168 /nfs/dbraw/zinc/70/31/68/308703168.db2.gz CKNJCGSDQSPSCR-JTQLQIEISA-N 1 0 345.241 3.141 20 5 EGBDRO C[NH+](C)[C@H]1CCC[C@H](Nc2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000301695150 308711370 /nfs/dbraw/zinc/71/13/70/308711370.db2.gz PGPPAKGLWQIQFO-QWRGUYRKSA-N 1 0 343.225 3.037 20 5 EGBDRO CCCC[NH+]1CCC(Nc2cc(OC)c([N+](=O)[O-])cc2F)CC1 ZINC000301967574 308723459 /nfs/dbraw/zinc/72/34/59/308723459.db2.gz OXGODKFTSYXZTH-UHFFFAOYSA-N 1 0 325.384 3.419 20 5 EGBDRO Cc1cc(NC[C@@](C)(O)c2ccco2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302172802 308731933 /nfs/dbraw/zinc/73/19/33/308731933.db2.gz MIHVQWPCAAYAFQ-QGZVFWFLSA-N 1 0 327.340 3.364 20 5 EGBDRO O=C(CC[NH2+]C1(c2ccc(F)cc2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411362710 308935589 /nfs/dbraw/zinc/93/55/89/308935589.db2.gz BWWMZZCKLYNKQB-UHFFFAOYSA-N 1 0 343.358 3.341 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+]C2(CO)C3CC4CC(C3)CC2C4)c(F)c1 ZINC000412003034 308961909 /nfs/dbraw/zinc/96/19/09/308961909.db2.gz OFUXLGUIRDMHJP-UHFFFAOYSA-N 1 0 334.391 3.011 20 5 EGBDRO CCCN(CC[NH+]1CCCC1)C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412341544 308981856 /nfs/dbraw/zinc/98/18/56/308981856.db2.gz SLSRDZZQSKPFLV-ZWKOTPCHSA-N 1 0 345.443 3.033 20 5 EGBDRO C[NH+](C)CCN(Cc1ccsc1)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000413448467 309032439 /nfs/dbraw/zinc/03/24/39/309032439.db2.gz ITWHERREGLYFQE-UHFFFAOYSA-N 1 0 340.836 3.273 20 5 EGBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000413509116 309034908 /nfs/dbraw/zinc/03/49/08/309034908.db2.gz YALVBMVXRKGZHV-NKGKWGDASA-N 1 0 345.443 3.030 20 5 EGBDRO C[C@H](C[NH3+])NCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000414926547 309109678 /nfs/dbraw/zinc/10/96/78/309109678.db2.gz JTHBXKAAVXEYSA-LLVKDONJSA-N 1 0 335.791 3.477 20 5 EGBDRO [NH3+]CC[C@@H](NCc1ccc(-c2ccccc2[N+](=O)[O-])s1)C(F)F ZINC000414985168 309112830 /nfs/dbraw/zinc/11/28/30/309112830.db2.gz FOUQYQMINSTKGN-GFCCVEGCSA-N 1 0 341.383 3.395 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000415303756 309130524 /nfs/dbraw/zinc/13/05/24/309130524.db2.gz VFQYPDBOYSLURF-CQSZACIVSA-N 1 0 334.420 3.111 20 5 EGBDRO CC(C)[C@](C)(C[NH3+])NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000415447361 309133726 /nfs/dbraw/zinc/13/37/26/309133726.db2.gz UHZYFIKDMKEXTN-ZDUSSCGKSA-N 1 0 348.325 3.109 20 5 EGBDRO NC(=O)c1ccc(C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000417306592 309201066 /nfs/dbraw/zinc/20/10/66/309201066.db2.gz CRBLTQTZTMOGHY-GOSISDBHSA-N 1 0 339.395 3.251 20 5 EGBDRO CCCC[C@H](C[NH3+])NC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000418443402 309246320 /nfs/dbraw/zinc/24/63/20/309246320.db2.gz KWNIFTRWOYGRKS-JKSUJKDBSA-N 1 0 348.447 3.001 20 5 EGBDRO C[NH2+]C[C@@H]1CCCN(c2cc(C)c([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000420130925 309276456 /nfs/dbraw/zinc/27/64/56/309276456.db2.gz WTBQBTTWHGCQHE-NSHDSACASA-N 1 0 331.338 3.358 20 5 EGBDRO [NH3+][C@@H]1CCC[C@@H](CNc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000420293489 309279615 /nfs/dbraw/zinc/27/96/15/309279615.db2.gz YATMRMGQTLMWSZ-NXEZZACHSA-N 1 0 328.210 3.287 20 5 EGBDRO O=C(CC[N@@H+]1CC[C@H](C2CCCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000420967174 309305218 /nfs/dbraw/zinc/30/52/18/309305218.db2.gz XNRNDOIJXKUGIN-HNNXBMFYSA-N 1 0 331.416 3.436 20 5 EGBDRO C[C@@H]1C[C@@H](CO)C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000421362621 309320398 /nfs/dbraw/zinc/32/03/98/309320398.db2.gz NSJDYTDTMNFQMR-ZIAGYGMSSA-N 1 0 330.384 3.305 20 5 EGBDRO COC1([C@H](C)[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])CCOCC1 ZINC000421404699 309323215 /nfs/dbraw/zinc/32/32/15/309323215.db2.gz PYHRVNQKMGTXNZ-GJZGRUSLSA-N 1 0 336.432 3.090 20 5 EGBDRO CN(Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C[C@H]1CCC[N@@H+]1C ZINC000421409724 309323416 /nfs/dbraw/zinc/32/34/16/309323416.db2.gz NGTLDNYIOBDPCZ-MRXNPFEDSA-N 1 0 329.400 3.381 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000421476755 309326296 /nfs/dbraw/zinc/32/62/96/309326296.db2.gz RNCJVMRLJVVMGN-INIZCTEOSA-N 1 0 335.448 3.308 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000421886197 309345175 /nfs/dbraw/zinc/34/51/75/309345175.db2.gz GXFALWWUKSHLQS-SRCQZFHVSA-N 1 0 345.443 3.014 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000422889411 309374419 /nfs/dbraw/zinc/37/44/19/309374419.db2.gz PLJAFGZDJOLEGV-CQSZACIVSA-N 1 0 341.411 3.470 20 5 EGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCn2ccnc2C1 ZINC000427884972 309537684 /nfs/dbraw/zinc/53/76/84/309537684.db2.gz VDVIMYZGIZWOBX-UONOGXRCSA-N 1 0 346.456 3.267 20 5 EGBDRO CC(C)(CO)[C@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000429707817 309587918 /nfs/dbraw/zinc/58/79/18/309587918.db2.gz HTUITNCNXNJDNV-GOSISDBHSA-N 1 0 344.411 3.323 20 5 EGBDRO C[C@@H](NC(=O)C[C@@H](c1ccccc1)[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000431727181 309641316 /nfs/dbraw/zinc/64/13/16/309641316.db2.gz SVFUIEFZHUVREY-KDOFPFPSSA-N 1 0 341.411 3.465 20 5 EGBDRO C[C@@H]1CCCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@@H]1C[NH3+] ZINC000435390592 309731514 /nfs/dbraw/zinc/73/15/14/309731514.db2.gz SHQMZDQGERNJPP-MLGOLLRUSA-N 1 0 346.456 3.278 20 5 EGBDRO CC(C)c1ccc(C(=O)N[C@H](C)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000439413072 309832425 /nfs/dbraw/zinc/83/24/25/309832425.db2.gz RYBSBKDIJUQHCU-CQSZACIVSA-N 1 0 333.432 3.322 20 5 EGBDRO CC(C)C[C@H]1OCCC[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444680463 309925473 /nfs/dbraw/zinc/92/54/73/309925473.db2.gz PJFWAUKTFDMHED-GDBMZVCRSA-N 1 0 332.404 3.154 20 5 EGBDRO CCc1nc(CC[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cs1 ZINC000447528084 309980817 /nfs/dbraw/zinc/98/08/17/309980817.db2.gz HZUZYXVPXYPSMB-KGLIPLIRSA-N 1 0 349.460 3.126 20 5 EGBDRO CCc1noc(CC)c1C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447578969 309982932 /nfs/dbraw/zinc/98/29/32/309982932.db2.gz IHLUTFKZXZHBLC-HUUCEWRRSA-N 1 0 347.419 3.178 20 5 EGBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CC2Cc3ccccc3C2)n1 ZINC000447579646 309983009 /nfs/dbraw/zinc/98/30/09/309983009.db2.gz LAEWENOGTWVSHG-MSOLQXFVSA-N 1 0 340.427 3.280 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@H](CO)Cc1ccccc1)CCC2 ZINC000447591698 309983581 /nfs/dbraw/zinc/98/35/81/309983581.db2.gz IVLKWWPGQTTYRB-LPHOPBHVSA-N 1 0 326.396 3.165 20 5 EGBDRO CC(C)[NH+]1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CC1 ZINC000448943518 310025050 /nfs/dbraw/zinc/02/50/50/310025050.db2.gz OKZYHMDICCYHJW-UHFFFAOYSA-N 1 0 332.429 3.249 20 5 EGBDRO CCCC[N@H+](C)CCNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000448963539 310026077 /nfs/dbraw/zinc/02/60/77/310026077.db2.gz WEDDNOFOARQIPO-UHFFFAOYSA-N 1 0 347.337 3.075 20 5 EGBDRO Cc1nc2ccccc2n1CC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449059612 310033667 /nfs/dbraw/zinc/03/36/67/310033667.db2.gz CAGFVMNOVQHDLA-AWEZNQCLSA-N 1 0 338.411 3.474 20 5 EGBDRO CCc1ccc([C@H](CO)[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000449217188 310045223 /nfs/dbraw/zinc/04/52/23/310045223.db2.gz XPCIJPONCGTCAU-KDOFPFPSSA-N 1 0 328.412 3.411 20 5 EGBDRO CC[C@H](C)[C@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)OC ZINC000449403772 310059389 /nfs/dbraw/zinc/05/93/89/310059389.db2.gz XOOMWTGHGZKVQP-HZMBPMFUSA-N 1 0 332.347 3.347 20 5 EGBDRO Cn1cc(Cl)c(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])n1 ZINC000449476102 310065295 /nfs/dbraw/zinc/06/52/95/310065295.db2.gz GDLJGOLDBJMNSH-IUODEOHRSA-N 1 0 348.834 3.483 20 5 EGBDRO C[C@H]1C[C@H](Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CC[N@@H+]1C ZINC000450353679 310117365 /nfs/dbraw/zinc/11/73/65/310117365.db2.gz GFWRUIPZQPMOSR-WCQYABFASA-N 1 0 332.429 3.035 20 5 EGBDRO C[NH+]1CCC([C@@H]2CCN(c3nccc4c3cccc4[N+](=O)[O-])C2)CC1 ZINC000450400555 310120376 /nfs/dbraw/zinc/12/03/76/310120376.db2.gz CSXBFNFQSXCMQL-OAHLLOKOSA-N 1 0 340.427 3.311 20 5 EGBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](CCC2=CCCCC2)CC1 ZINC000450572145 310130788 /nfs/dbraw/zinc/13/07/88/310130788.db2.gz UCJNNZDIYXXGJP-UHFFFAOYSA-N 1 0 343.427 3.243 20 5 EGBDRO CC[NH+]1CCN(CC(C)(C)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000450921386 310149755 /nfs/dbraw/zinc/14/97/55/310149755.db2.gz HLQQVVVBVHJXEX-UHFFFAOYSA-N 1 0 340.855 3.076 20 5 EGBDRO C[C@H]([NH2+]CC(=O)N(C)[C@@H]1CCCC[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000451104061 310160887 /nfs/dbraw/zinc/16/08/87/310160887.db2.gz JMXXISLXIUUZNH-JKIFEVAISA-N 1 0 333.432 3.283 20 5 EGBDRO CCC1([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCCC1 ZINC000451279237 310169513 /nfs/dbraw/zinc/16/95/13/310169513.db2.gz WQGAATIALHGFPT-UHFFFAOYSA-N 1 0 325.796 3.499 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2nnc(C[NH2+][C@@H]3CCC34CCCC4)o2)cc1 ZINC000451467578 310179739 /nfs/dbraw/zinc/17/97/39/310179739.db2.gz JGBONSAMXIUJSQ-CQSZACIVSA-N 1 0 328.372 3.457 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](CCO[C@H]3CCCCO3)C2)cc1 ZINC000451551734 310185631 /nfs/dbraw/zinc/18/56/31/310185631.db2.gz UWUGJXZGIXDZNI-WMZOPIPTSA-N 1 0 334.416 3.317 20 5 EGBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@]2(CCSC2)C1 ZINC000451982669 310206429 /nfs/dbraw/zinc/20/64/29/310206429.db2.gz TYMIAHDBHJTQKQ-GUYCJALGSA-N 1 0 349.456 3.141 20 5 EGBDRO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452846640 310245201 /nfs/dbraw/zinc/24/52/01/310245201.db2.gz KHCKPCVBKFUSNG-FUHWJXTLSA-N 1 0 345.443 3.175 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@H](c3ccnn3C)C2)cc1[N+](=O)[O-] ZINC000453328202 310271180 /nfs/dbraw/zinc/27/11/80/310271180.db2.gz BSGHQTUAZISIPV-JOQOYGCGSA-N 1 0 344.415 3.208 20 5 EGBDRO C[C@H](Cc1cnn(C)c1)[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000453364743 310273016 /nfs/dbraw/zinc/27/30/16/310273016.db2.gz VNZGWUOQXOXREL-QGPMSJSTSA-N 1 0 342.443 3.260 20 5 EGBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](C1CC1)C1CCC1 ZINC000453412045 310275760 /nfs/dbraw/zinc/27/57/60/310275760.db2.gz HHTFSNCOECTNDV-XIKOKIGWSA-N 1 0 331.416 3.480 20 5 EGBDRO Cc1ccc(C[C@H](CO)[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])cc1C ZINC000453431731 310276945 /nfs/dbraw/zinc/27/69/45/310276945.db2.gz JHJXTWBCUSAPEM-QFBILLFUSA-N 1 0 342.439 3.336 20 5 EGBDRO Cc1ccc(C[C@H](CO)[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])cc1C ZINC000453431733 310276986 /nfs/dbraw/zinc/27/69/86/310276986.db2.gz JHJXTWBCUSAPEM-VQIMIIECSA-N 1 0 342.439 3.336 20 5 EGBDRO CCNC(=O)C(C)(C)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000453602366 310283813 /nfs/dbraw/zinc/28/38/13/310283813.db2.gz JPEUGFMCJBRBQY-UHFFFAOYSA-N 1 0 347.440 3.328 20 5 EGBDRO CC[C@@H](C)[NH+]1CCN(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000455151775 310347371 /nfs/dbraw/zinc/34/73/71/310347371.db2.gz ZPDBCWYRXPVSGE-CQSZACIVSA-N 1 0 334.420 3.160 20 5 EGBDRO CC[C@H](C(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)[NH+](CC)CC ZINC000456140012 310390259 /nfs/dbraw/zinc/39/02/59/310390259.db2.gz LGJZXLRFNUVWKC-SJLPKXTDSA-N 1 0 347.459 3.421 20 5 EGBDRO CC[C@@H](C(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)[NH+](CC)CC ZINC000456139992 310390324 /nfs/dbraw/zinc/39/03/24/310390324.db2.gz LGJZXLRFNUVWKC-AEFFLSMTSA-N 1 0 347.459 3.421 20 5 EGBDRO CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000456196204 310393060 /nfs/dbraw/zinc/39/30/60/310393060.db2.gz WQMYQTOEBJXDQZ-CHWSQXEVSA-N 1 0 334.420 3.226 20 5 EGBDRO CC[C@H](C)[NH+]1CCN(C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000458520896 310507922 /nfs/dbraw/zinc/50/79/22/310507922.db2.gz UUKYPQAHRZJVAB-GJZGRUSLSA-N 1 0 348.447 3.090 20 5 EGBDRO COc1cccc2c1C[C@@H]([NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])C2 ZINC000459726686 310571201 /nfs/dbraw/zinc/57/12/01/310571201.db2.gz MCFYZWQNSGNAOR-CJNGLKHVSA-N 1 0 326.396 3.291 20 5 EGBDRO C[C@@H]([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000459787839 310575470 /nfs/dbraw/zinc/57/54/70/310575470.db2.gz QNIDEEQIOREZPW-KOXOONSLSA-N 1 0 337.807 3.353 20 5 EGBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)C[NH+](CC)CC ZINC000462997187 310608080 /nfs/dbraw/zinc/60/80/80/310608080.db2.gz SUNLDRNWZWBISC-HOCLYGCPSA-N 1 0 335.448 3.010 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCNC(=O)CC1CCCC1 ZINC000468642578 310691584 /nfs/dbraw/zinc/69/15/84/310691584.db2.gz LCXXHYLSXJLZKT-PTNGSMBKSA-N 1 0 345.443 3.284 20 5 EGBDRO O=C(C[NH2+]C1(c2ccccc2)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000477440172 310844300 /nfs/dbraw/zinc/84/43/00/310844300.db2.gz QZIHQFKYIAXCPO-UHFFFAOYSA-N 1 0 345.786 3.466 20 5 EGBDRO C[C@H]([NH2+]C[C@@](C)(CO)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000477861598 310850605 /nfs/dbraw/zinc/85/06/05/310850605.db2.gz NSBPYCSZZNPWBR-KXBFYZLASA-N 1 0 328.412 3.487 20 5 EGBDRO Cc1ccc(C(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000498355893 311881869 /nfs/dbraw/zinc/88/18/69/311881869.db2.gz WKOPPXUKGSQYIX-SFHVURJKSA-N 1 0 347.459 3.390 20 5 EGBDRO COC(=O)[C@]1(C)C[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000504589603 312008716 /nfs/dbraw/zinc/00/87/16/312008716.db2.gz NARXYNUACFDLPG-DJMYYBMESA-N 1 0 332.400 3.129 20 5 EGBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@H](O)CCc1ccccc1 ZINC000511139279 312155560 /nfs/dbraw/zinc/15/55/60/312155560.db2.gz QCLHFNBTOLIQSK-GOSISDBHSA-N 1 0 328.412 3.063 20 5 EGBDRO CC(C)(C)c1ccc2c(c1)C[N@@H+](CCn1ccc([N+](=O)[O-])n1)CC2 ZINC000511217412 312157485 /nfs/dbraw/zinc/15/74/85/312157485.db2.gz WUPIRPHIAXPTKO-UHFFFAOYSA-N 1 0 328.416 3.147 20 5 EGBDRO COc1ccc(-c2ccc(C[NH2+][C@H]3CC[C@H](O)CC3)o2)c([N+](=O)[O-])c1 ZINC000513514215 312212111 /nfs/dbraw/zinc/21/21/11/312212111.db2.gz WQBMVCDMYJJLIX-JOCQHMNTSA-N 1 0 346.383 3.257 20 5 EGBDRO CC(C)Oc1nc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000515671788 312294060 /nfs/dbraw/zinc/29/40/60/312294060.db2.gz XNAHDIFHXKYHND-CQSZACIVSA-N 1 0 348.447 3.088 20 5 EGBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000517938999 312398947 /nfs/dbraw/zinc/39/89/47/312398947.db2.gz GOXJDCPSADMQHZ-NSHDSACASA-N 1 0 339.823 3.051 20 5 EGBDRO O=[N+]([O-])c1ccccc1N1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000518352989 312412873 /nfs/dbraw/zinc/41/28/73/312412873.db2.gz WEJKLMQTHFHMFO-UHFFFAOYSA-N 1 0 334.379 3.470 20 5 EGBDRO CCOc1ccc(NC(=O)C[NH2+]C2[C@@H](C)CCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000518439634 312416668 /nfs/dbraw/zinc/41/66/68/312416668.db2.gz KKKFICRVVBNLBB-STQMWFEESA-N 1 0 349.431 3.346 20 5 EGBDRO C[N@@H+]1CCC[C@H](CNc2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000087834385 454089869 /nfs/dbraw/zinc/08/98/69/454089869.db2.gz YECZKNPQGDXSMU-SNVBAGLBSA-N 1 0 328.210 3.111 20 5 EGBDRO CC[C@@H](C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccccc1 ZINC000536638563 314133706 /nfs/dbraw/zinc/13/37/06/314133706.db2.gz KLEKTLIKTZPUOV-INIZCTEOSA-N 1 0 340.427 3.306 20 5 EGBDRO Cc1ccc(NC(=O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c(F)c1 ZINC000538174466 314231178 /nfs/dbraw/zinc/23/11/78/314231178.db2.gz AMJXGPHXMNVOSX-GFCCVEGCSA-N 1 0 331.347 3.332 20 5 EGBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C1CCC(F)(F)CC1 ZINC000539050807 314293222 /nfs/dbraw/zinc/29/32/22/314293222.db2.gz QJHPQBWJOYNFAM-NSHDSACASA-N 1 0 341.358 3.479 20 5 EGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCc2n[nH]cc2C1 ZINC000539064139 314293828 /nfs/dbraw/zinc/29/38/28/314293828.db2.gz DHEMFXLDWCIOEW-KBPBESRZSA-N 1 0 346.456 3.336 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](C)C(=O)NCc1ccccc1 ZINC000539628318 314325024 /nfs/dbraw/zinc/32/50/24/314325024.db2.gz JNPLURRLTWFMOF-HUUCEWRRSA-N 1 0 341.411 3.259 20 5 EGBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC[C@@H]1CCO[C@@H](C)C1 ZINC000543409838 314626679 /nfs/dbraw/zinc/62/66/79/314626679.db2.gz HCQNPSQJGRXNAM-QLFBSQMISA-N 1 0 349.431 3.107 20 5 EGBDRO Cc1ccc(C[N@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1C ZINC000552885164 315236385 /nfs/dbraw/zinc/23/63/85/315236385.db2.gz ZSPDNWJWUXUZNZ-GOSISDBHSA-N 1 0 344.411 3.083 20 5 EGBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCCC(F)(F)F ZINC000563746293 316063880 /nfs/dbraw/zinc/06/38/80/316063880.db2.gz FOMUDAXVOLBOGX-JTQLQIEISA-N 1 0 333.310 3.244 20 5 EGBDRO O=C(CC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])NC1CCCCC1 ZINC000564740773 316197546 /nfs/dbraw/zinc/19/75/46/316197546.db2.gz OQFYVDXEHMOOMS-MRXNPFEDSA-N 1 0 331.416 3.011 20 5 EGBDRO CNc1ccc([N+](=O)[O-])cc1NC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000565779197 316369409 /nfs/dbraw/zinc/36/94/09/316369409.db2.gz SZYQTWPYHYHXIN-KRWDZBQOSA-N 1 0 342.399 3.268 20 5 EGBDRO O=C(NCCCCC[NH+]1CCCCC1)Nc1cccc([N+](=O)[O-])c1 ZINC000171814980 323253680 /nfs/dbraw/zinc/25/36/80/323253680.db2.gz MKIYSSVOZPJLLN-UHFFFAOYSA-N 1 0 334.420 3.373 20 5 EGBDRO CC[C@H]([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CCCO1 ZINC000182302553 323541491 /nfs/dbraw/zinc/54/14/91/323541491.db2.gz NHFMXOYHCIBRBB-HOTGVXAUSA-N 1 0 331.372 3.297 20 5 EGBDRO Cc1cccc([C@H](C)[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])c1C ZINC000182426025 323550568 /nfs/dbraw/zinc/55/05/68/323550568.db2.gz BANCHPRQEWRSOB-JKSUJKDBSA-N 1 0 344.411 3.302 20 5 EGBDRO CC[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1c(C)noc1C ZINC000182424763 323550576 /nfs/dbraw/zinc/55/05/76/323550576.db2.gz JFNMEZVSELBKQT-HNNXBMFYSA-N 1 0 346.387 3.269 20 5 EGBDRO CC(C)c1ccc(C(=O)N2CCCC[C@@H]2C[NH+](C)C)cc1[N+](=O)[O-] ZINC000189706069 323785436 /nfs/dbraw/zinc/78/54/36/323785436.db2.gz ZPCRRLVYBVFRNF-OAHLLOKOSA-N 1 0 333.432 3.275 20 5 EGBDRO COC(=O)C[C@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000314970321 456604965 /nfs/dbraw/zinc/60/49/65/456604965.db2.gz CPSAUPJKWJYOJK-GFCCVEGCSA-N 1 0 326.780 3.166 20 5 EGBDRO COc1cccc(CC[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])c1OC ZINC000579614008 325136636 /nfs/dbraw/zinc/13/66/36/325136636.db2.gz LRBOIVHWJDKRHI-INIZCTEOSA-N 1 0 342.395 3.432 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000580325428 325235023 /nfs/dbraw/zinc/23/50/23/325235023.db2.gz NVJNPHAXRFNIDQ-MRXNPFEDSA-N 1 0 339.395 3.364 20 5 EGBDRO Cc1ccc(C[C@@H](CO)[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000581260658 325347121 /nfs/dbraw/zinc/34/71/21/325347121.db2.gz KJIHCATWYJFLNP-MAUKXSAKSA-N 1 0 326.396 3.084 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@]2(O)CCC[C@H](C(F)(F)F)C2)cc1 ZINC000189617934 455223303 /nfs/dbraw/zinc/22/33/03/455223303.db2.gz WADHRADEPLHEQY-GXTWGEPZSA-N 1 0 332.322 3.168 20 5 EGBDRO O=[N+]([O-])c1ccc(CO)c(-c2cccc(C[C@@H]3CCCC[NH2+]3)c2)c1 ZINC000600782538 460601916 /nfs/dbraw/zinc/60/19/16/460601916.db2.gz MWDRRFFWBLGOJH-KRWDZBQOSA-N 1 0 326.396 3.439 20 5 EGBDRO Cc1ccccc1C[N@@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000016585946 453613426 /nfs/dbraw/zinc/61/34/26/453613426.db2.gz OJERQBSANXLAJE-CQSZACIVSA-N 1 0 327.384 3.362 20 5 EGBDRO CC[NH+]1CCC(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 ZINC000025942543 453789763 /nfs/dbraw/zinc/78/97/63/453789763.db2.gz FCCOBEWDZZXENW-UHFFFAOYSA-N 1 0 333.413 3.024 20 5 EGBDRO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000026298197 453795865 /nfs/dbraw/zinc/79/58/65/453795865.db2.gz RSEMDVWEUXVQJS-CQSZACIVSA-N 1 0 337.383 3.369 20 5 EGBDRO CC[C@@H]1CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000030144632 453834109 /nfs/dbraw/zinc/83/41/09/453834109.db2.gz ZZQKYAPLXJLUGC-CYBMUJFWSA-N 1 0 335.404 3.054 20 5 EGBDRO C[C@H](c1ccc(F)cc1)[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000032490035 453875650 /nfs/dbraw/zinc/87/56/50/453875650.db2.gz SXUDHFAHHJYHFP-CXAGYDPISA-N 1 0 348.374 3.167 20 5 EGBDRO C[C@](O)(C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])c1cccs1 ZINC000265776254 455379301 /nfs/dbraw/zinc/37/93/01/455379301.db2.gz NGTUJYDZUONKCN-AWEZNQCLSA-N 1 0 326.805 3.307 20 5 EGBDRO Cc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2F)[NH+](C)C)cc1 ZINC000067267214 453916118 /nfs/dbraw/zinc/91/61/18/453916118.db2.gz QISWZTUZXQKQNX-QGZVFWFLSA-N 1 0 345.374 3.075 20 5 EGBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000054222995 453916428 /nfs/dbraw/zinc/91/64/28/453916428.db2.gz XXTHYOWPUVVNDI-WFASDCNBSA-N 1 0 345.424 3.222 20 5 EGBDRO CC(C)C[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[NH+](C)C ZINC000075986328 453945422 /nfs/dbraw/zinc/94/54/22/453945422.db2.gz IDHGKHIWHVGGSB-LBPRGKRZSA-N 1 0 342.827 3.346 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC2(C1)CCOCC2 ZINC000076177883 453975335 /nfs/dbraw/zinc/97/53/35/453975335.db2.gz FBPWSSMBSLGJDA-UHFFFAOYSA-N 1 0 334.416 3.385 20 5 EGBDRO Cc1ccc(C(=O)N(C)CC[N@H+](C)C2CCCCC2)cc1[N+](=O)[O-] ZINC000076329848 453989459 /nfs/dbraw/zinc/98/94/59/453989459.db2.gz OSZXXJMWTZGMQT-UHFFFAOYSA-N 1 0 333.432 3.240 20 5 EGBDRO CC[NH+](CC)CCN(CC(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000042310175 454005621 /nfs/dbraw/zinc/00/56/21/454005621.db2.gz DKILACSQEGYMGD-UHFFFAOYSA-N 1 0 336.436 3.427 20 5 EGBDRO CC(C)NC(=O)c1ccc(NCC2([NH+](C)C)CCCC2)c([N+](=O)[O-])c1 ZINC000068664723 454043127 /nfs/dbraw/zinc/04/31/27/454043127.db2.gz XCYBNTQDOARFQB-UHFFFAOYSA-N 1 0 348.447 3.019 20 5 EGBDRO Cc1ccc(CNC(=O)[C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000056196597 454043684 /nfs/dbraw/zinc/04/36/84/454043684.db2.gz GWNABAZVRHEBFA-GJZGRUSLSA-N 1 0 341.411 3.259 20 5 EGBDRO CC(C)[NH2+]C1CCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000068902290 454063764 /nfs/dbraw/zinc/06/37/64/454063764.db2.gz YFOKSTTXWVXAPW-UHFFFAOYSA-N 1 0 342.237 3.324 20 5 EGBDRO O=[N+]([O-])c1cc(F)ccc1N1CC[NH+](CCc2cccs2)CC1 ZINC000057141370 454105425 /nfs/dbraw/zinc/10/54/25/454105425.db2.gz FUIADISEWAJNFG-UHFFFAOYSA-N 1 0 335.404 3.160 20 5 EGBDRO COc1ccc([C@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)cc1F ZINC000089580983 454163377 /nfs/dbraw/zinc/16/33/77/454163377.db2.gz WAFOPPVFHGJRQM-LBPRGKRZSA-N 1 0 334.347 3.472 20 5 EGBDRO CC[N@@H+]1CCC[C@H](CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000058275941 454177351 /nfs/dbraw/zinc/17/73/51/454177351.db2.gz ZVLACMPVJIDQJW-GFCCVEGCSA-N 1 0 347.440 3.271 20 5 EGBDRO CNC(=O)[C@H](C)C[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000093898805 454178297 /nfs/dbraw/zinc/17/82/97/454178297.db2.gz ZEAXOOMPHXPWHA-GFCCVEGCSA-N 1 0 347.440 3.137 20 5 EGBDRO CCc1noc(C)c1C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000119483055 454198886 /nfs/dbraw/zinc/19/88/86/454198886.db2.gz AJIPJWJWQMEFPB-UHFFFAOYSA-N 1 0 345.399 3.497 20 5 EGBDRO CCCC[N@H+](CCOC)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089897122 454228427 /nfs/dbraw/zinc/22/84/27/454228427.db2.gz YYDDNNXENDOUCR-UHFFFAOYSA-N 1 0 333.388 3.498 20 5 EGBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000046427584 454251094 /nfs/dbraw/zinc/25/10/94/454251094.db2.gz YZJWERAMHIKIEL-ZIAGYGMSSA-N 1 0 334.420 3.084 20 5 EGBDRO Cc1ccc(C(=O)N(CC[NH+](C)C)c2ccccc2)cc1[N+](=O)[O-] ZINC000060208490 454273256 /nfs/dbraw/zinc/27/32/56/454273256.db2.gz OCVITEZQDWSNPM-UHFFFAOYSA-N 1 0 327.384 3.112 20 5 EGBDRO CCOc1ccc(NC(=O)C[N@H+](CC)[C@@H](C)C(C)C)c([N+](=O)[O-])c1 ZINC000120227329 454274929 /nfs/dbraw/zinc/27/49/29/454274929.db2.gz HATLJAYBLSKUEC-ZDUSSCGKSA-N 1 0 337.420 3.298 20 5 EGBDRO CCC[N@@H+]1CC[C@H](CNC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)C1 ZINC000120254932 454278051 /nfs/dbraw/zinc/27/80/51/454278051.db2.gz MMSHBQDKIIUKEQ-CQSZACIVSA-N 1 0 334.420 3.065 20 5 EGBDRO Cc1ccc(CN(CC[NH+](C)C)C(=O)c2ccc(C)c([N+](=O)[O-])c2)o1 ZINC000060407532 454286594 /nfs/dbraw/zinc/28/65/94/454286594.db2.gz RIUMIYZTBYPMCT-UHFFFAOYSA-N 1 0 345.399 3.009 20 5 EGBDRO C[C@@H]1CC[C@H](C)C[N@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000072897205 454360586 /nfs/dbraw/zinc/36/05/86/454360586.db2.gz DSWJCOCTNAKBQJ-QWHCGFSZSA-N 1 0 333.388 3.013 20 5 EGBDRO O=C(Nc1ccccc1)[C@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000073049683 454387187 /nfs/dbraw/zinc/38/71/87/454387187.db2.gz ZEFABPYMTMPULG-INIZCTEOSA-N 1 0 339.395 3.446 20 5 EGBDRO O=[N+]([O-])c1ccc(Sc2nnc(C3CC[NH2+]CC3)n2C2CC2)cc1 ZINC000091483702 454440974 /nfs/dbraw/zinc/44/09/74/454440974.db2.gz BBIPEPZEFJZJDW-UHFFFAOYSA-N 1 0 345.428 3.139 20 5 EGBDRO CC(C)(C)[N@@H+]1CCCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000063725810 454441976 /nfs/dbraw/zinc/44/19/76/454441976.db2.gz VTXHCNBFGDODPK-UHFFFAOYSA-N 1 0 339.823 3.195 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCC1CC[NH+](CCC(C)C)CC1 ZINC000079655772 454459370 /nfs/dbraw/zinc/45/93/70/454459370.db2.gz UCZBLOBLUROLQK-UHFFFAOYSA-N 1 0 347.459 3.391 20 5 EGBDRO CC(C)NC(=O)c1ccc(NCCC[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000073869239 454494490 /nfs/dbraw/zinc/49/44/90/454494490.db2.gz APHUBCLYASOCQW-UHFFFAOYSA-N 1 0 348.447 3.021 20 5 EGBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)C1 ZINC000091983703 454500161 /nfs/dbraw/zinc/50/01/61/454500161.db2.gz WCKBXUSCFLWNDM-INIZCTEOSA-N 1 0 347.459 3.324 20 5 EGBDRO CC(C)CC[NH+]1CCC(CNC(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000079996079 454513092 /nfs/dbraw/zinc/51/30/92/454513092.db2.gz CBAJMPHODFWLSS-UHFFFAOYSA-N 1 0 347.459 3.012 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(CC(=O)N(C)C)CC1 ZINC000182181218 455454535 /nfs/dbraw/zinc/45/45/35/455454535.db2.gz LPDDHQNLCNFBLK-CQSZACIVSA-N 1 0 333.432 3.155 20 5 EGBDRO CN(c1ccccc1)c1ccc(C[NH2+]CC2(CO)CC2)cc1[N+](=O)[O-] ZINC000080272712 454559634 /nfs/dbraw/zinc/55/96/34/454559634.db2.gz OOPDJNBHIUMANX-UHFFFAOYSA-N 1 0 341.411 3.225 20 5 EGBDRO Cc1cc(C)cc(C2=CC[N@H+](CCn3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000092428636 454564760 /nfs/dbraw/zinc/56/47/60/454564760.db2.gz DQSXPKJIRUNSIR-UHFFFAOYSA-N 1 0 326.400 3.197 20 5 EGBDRO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000134647860 454573512 /nfs/dbraw/zinc/57/35/12/454573512.db2.gz JGTATBXJVWRLDU-UKRRQHHQSA-N 1 0 349.431 3.472 20 5 EGBDRO CC(C)(C)CC[NH+]1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000065536025 454587526 /nfs/dbraw/zinc/58/75/26/454587526.db2.gz BBDJZYUIPGIBLM-UHFFFAOYSA-N 1 0 335.448 3.027 20 5 EGBDRO CCOC(=O)[C@H]1CC[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000134885383 454602321 /nfs/dbraw/zinc/60/23/21/454602321.db2.gz AQDUBCDAXRRPFW-LXZKKBNFSA-N 1 0 334.416 3.095 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CC[C@@H](C[NH+]3CCCC3)C2)cc1OC(F)F ZINC000092656543 454602604 /nfs/dbraw/zinc/60/26/04/454602604.db2.gz QOWLRXWPRCUWFU-LBPRGKRZSA-N 1 0 341.358 3.118 20 5 EGBDRO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000051051099 454605922 /nfs/dbraw/zinc/60/59/22/454605922.db2.gz OBCSFCSFDKJMIO-GDBMZVCRSA-N 1 0 333.432 3.112 20 5 EGBDRO C[C@H](c1ccccc1F)[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000051407440 454622629 /nfs/dbraw/zinc/62/26/29/454622629.db2.gz QVUWBOZKUBFRDI-HIFRSBDPSA-N 1 0 348.374 3.167 20 5 EGBDRO Cc1cc(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)ncc1[N+](=O)[O-] ZINC000074750582 454629467 /nfs/dbraw/zinc/62/94/67/454629467.db2.gz CKQVAKCOOANRRD-OAHLLOKOSA-N 1 0 326.400 3.009 20 5 EGBDRO CN(c1ccc([N+](=O)[O-])cn1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000074775049 454633153 /nfs/dbraw/zinc/63/31/53/454633153.db2.gz HFUNXCLWFYLTBO-QGZVFWFLSA-N 1 0 326.400 3.091 20 5 EGBDRO COc1ccc(OCC[N@H+](Cc2cccnc2)C(C)C)c([N+](=O)[O-])c1 ZINC000093225746 454693665 /nfs/dbraw/zinc/69/36/65/454693665.db2.gz GTXMAFCPCZAOQZ-UHFFFAOYSA-N 1 0 345.399 3.288 20 5 EGBDRO Cn1ncc2c1CCC[C@H]2[N@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000135615901 454694657 /nfs/dbraw/zinc/69/46/57/454694657.db2.gz QTEHKPQCZWATDH-QGZVFWFLSA-N 1 0 344.415 3.107 20 5 EGBDRO O=C(C[N@@H+]1CC[C@@H](Cc2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000124210573 454706039 /nfs/dbraw/zinc/70/60/39/454706039.db2.gz YVMPDWPJPZADRS-INIZCTEOSA-N 1 0 339.395 3.098 20 5 EGBDRO CNC(=O)CCC[N@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000093717724 454731569 /nfs/dbraw/zinc/73/15/69/454731569.db2.gz FWPVZIYPHQLKIF-UHFFFAOYSA-N 1 0 347.440 3.281 20 5 EGBDRO CCOC(=O)CC[C@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000162302996 454765552 /nfs/dbraw/zinc/76/55/52/454765552.db2.gz MIXBYCSDMIVFGF-MRXNPFEDSA-N 1 0 334.416 3.193 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000162858702 454805095 /nfs/dbraw/zinc/80/50/95/454805095.db2.gz YCZULAPHMACLQW-UHFFFAOYSA-N 1 0 342.399 3.287 20 5 EGBDRO CCN(Cc1ccoc1)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000153553358 454805736 /nfs/dbraw/zinc/80/57/36/454805736.db2.gz MCDFKLJRQZXRHV-LBPRGKRZSA-N 1 0 347.371 3.046 20 5 EGBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000139952590 454813785 /nfs/dbraw/zinc/81/37/85/454813785.db2.gz MUTOVFCMEYNQIS-CKEIUWERSA-N 1 0 346.431 3.464 20 5 EGBDRO CCOc1ccc([C@@H](C)[NH2+][C@H]2C[C@H](C)N(C3CC3)C2)cc1[N+](=O)[O-] ZINC000154189256 454873186 /nfs/dbraw/zinc/87/31/86/454873186.db2.gz IDYUZBQOMZKJQI-GUTXKFCHSA-N 1 0 333.432 3.269 20 5 EGBDRO O=[N+]([O-])c1cc(Br)ccc1NCC[C@@H]1CCC[NH2+]C1 ZINC000111727145 454874212 /nfs/dbraw/zinc/87/42/12/454874212.db2.gz OHJNBZAERZGARP-JTQLQIEISA-N 1 0 328.210 3.159 20 5 EGBDRO CC(C)n1nccc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000112532104 454889385 /nfs/dbraw/zinc/88/93/85/454889385.db2.gz JVGIINIZBPOQCH-STQMWFEESA-N 1 0 345.403 3.050 20 5 EGBDRO Cn1ccnc1-c1cccc(NC(=O)c2cc(F)ccc2[N+](=O)[O-])c1 ZINC000154444070 454897177 /nfs/dbraw/zinc/89/71/77/454897177.db2.gz AETITQYYKNJJBW-UHFFFAOYSA-N 1 0 340.314 3.387 20 5 EGBDRO C[C@@H]1C[C@H](N(C)c2ncccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000150875359 454906050 /nfs/dbraw/zinc/90/60/50/454906050.db2.gz JEGNWJXQZKLCSR-NVXWUHKLSA-N 1 0 340.427 3.479 20 5 EGBDRO Cc1c([C@@H](C)[NH2+][C@H](C)C(=O)NCc2ccccc2)cccc1[N+](=O)[O-] ZINC000177944565 454922232 /nfs/dbraw/zinc/92/22/32/454922232.db2.gz QCJRISPMSCTAOJ-HUUCEWRRSA-N 1 0 341.411 3.259 20 5 EGBDRO CC[C@@H](C)[C@@H](O)C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000113342527 454923998 /nfs/dbraw/zinc/92/39/98/454923998.db2.gz MVAUNEMBTAEULC-ABAIWWIYSA-N 1 0 335.429 3.215 20 5 EGBDRO CCC[C@H]([NH2+]Cc1ccc(C(N)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000178182454 454941395 /nfs/dbraw/zinc/94/13/95/454941395.db2.gz HBBMVDPQYXNGKN-KRWDZBQOSA-N 1 0 327.384 3.325 20 5 EGBDRO COc1ncccc1C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000151138581 454943146 /nfs/dbraw/zinc/94/31/46/454943146.db2.gz QOXGYLBDENPCPX-INIZCTEOSA-N 1 0 327.384 3.109 20 5 EGBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1ccc([S@](C)=O)cc1 ZINC000178429631 454954582 /nfs/dbraw/zinc/95/45/82/454954582.db2.gz WOGYVYOTBLHEDZ-QHCPKHFHSA-N 1 0 332.425 3.007 20 5 EGBDRO C[NH+](C)C[C@@H]1CCN(Cc2cc(=O)oc3ccc4ccccc4c23)C1 ZINC000114479757 454957084 /nfs/dbraw/zinc/95/70/84/454957084.db2.gz IGOVPODMRSQGGL-HNNXBMFYSA-N 1 0 336.435 3.330 20 5 EGBDRO CC[C@H]1c2ccccc2CC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000114493345 454957912 /nfs/dbraw/zinc/95/79/12/454957912.db2.gz VELUVCYBYAYUNF-KRWDZBQOSA-N 1 0 339.395 3.203 20 5 EGBDRO Cc1ccccc1C[C@@H](CO)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000191564424 455498191 /nfs/dbraw/zinc/49/81/91/455498191.db2.gz PWABDNSJSXHNMF-RDJZCZTQSA-N 1 0 328.412 3.466 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCN1CCCCCC1=O ZINC000155516584 455011125 /nfs/dbraw/zinc/01/11/25/455011125.db2.gz ZRIZAQMUYFEKRM-OAHLLOKOSA-N 1 0 333.432 3.347 20 5 EGBDRO CC(C)[N@H+](C)Cc1cccc(CNC(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000171852529 455098606 /nfs/dbraw/zinc/09/86/06/455098606.db2.gz HFQIMNNQNXBKSS-UHFFFAOYSA-N 1 0 347.440 3.427 20 5 EGBDRO Cc1ccc(NC(=O)c2csc([N+](=O)[O-])c2)c(OCC[NH+](C)C)c1 ZINC000172528630 455160476 /nfs/dbraw/zinc/16/04/76/455160476.db2.gz WVRDXDWOCVFQBC-UHFFFAOYSA-N 1 0 349.412 3.157 20 5 EGBDRO CN(C)c1nc(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)cs1 ZINC000157025503 455161773 /nfs/dbraw/zinc/16/17/73/455161773.db2.gz IQBCEHIAJIYJTK-OAHLLOKOSA-N 1 0 346.456 3.228 20 5 EGBDRO C[C@H]([NH2+]CC(=O)N(C)CC1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000180406135 455164796 /nfs/dbraw/zinc/16/47/96/455164796.db2.gz WDGQPYDAUVDNHY-AWEZNQCLSA-N 1 0 333.432 3.284 20 5 EGBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000172842339 455195452 /nfs/dbraw/zinc/19/54/52/455195452.db2.gz ZLMZJKNNMRHJMS-ZDUSSCGKSA-N 1 0 339.823 3.195 20 5 EGBDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000172839094 455195589 /nfs/dbraw/zinc/19/55/89/455195589.db2.gz HKNQPFNUHDIZIW-CYBMUJFWSA-N 1 0 339.823 3.195 20 5 EGBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)C[C@H]1CCCOC1 ZINC000245481702 455311468 /nfs/dbraw/zinc/31/14/68/455311468.db2.gz CQYDNVCFUIRKDQ-CHWSQXEVSA-N 1 0 346.387 3.064 20 5 EGBDRO Cc1ccc(C(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000181476029 455339623 /nfs/dbraw/zinc/33/96/23/455339623.db2.gz ITMNBNMLDJTJIH-ZBFHGGJFSA-N 1 0 345.443 3.286 20 5 EGBDRO C[C@@H](NC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000174105635 455360043 /nfs/dbraw/zinc/36/00/43/455360043.db2.gz QNFORJKKXXTWEC-GDBMZVCRSA-N 1 0 348.447 3.172 20 5 EGBDRO Cc1csc([C@@H]([NH2+]CCOc2cccc([N+](=O)[O-])c2)C2CC2)n1 ZINC000181623888 455363949 /nfs/dbraw/zinc/36/39/49/455363949.db2.gz ZLRGAENQDDIIDF-HNNXBMFYSA-N 1 0 333.413 3.479 20 5 EGBDRO CC[C@H]([NH2+]CC(=O)N1[C@H](C)CCC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000245902992 455395479 /nfs/dbraw/zinc/39/54/79/455395479.db2.gz SPEAWXQHTJTHIF-CPUCHLNUSA-N 1 0 333.432 3.425 20 5 EGBDRO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000265876506 455397089 /nfs/dbraw/zinc/39/70/89/455397089.db2.gz XBVLALNUBHKQJD-BBRMVZONSA-N 1 0 349.431 3.330 20 5 EGBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000184693866 455428945 /nfs/dbraw/zinc/42/89/45/455428945.db2.gz HIAKBUWFJMTJSF-RDJZCZTQSA-N 1 0 347.459 3.012 20 5 EGBDRO Cc1cccc(C(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000182086117 455432206 /nfs/dbraw/zinc/43/22/06/455432206.db2.gz NTDQHGYGZDFXRO-OAHLLOKOSA-N 1 0 341.411 3.154 20 5 EGBDRO CSc1ccc(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000175793002 455498145 /nfs/dbraw/zinc/49/81/45/455498145.db2.gz UUONBRGFGZMFRC-NSHDSACASA-N 1 0 339.461 3.023 20 5 EGBDRO C[C@@H](CNC(=O)c1cccc(Cl)c1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000175877097 455509980 /nfs/dbraw/zinc/50/99/80/455509980.db2.gz AJFISAXZEJDOGO-LBPRGKRZSA-N 1 0 339.823 3.098 20 5 EGBDRO C[C@H](O)[C@](C)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000191711852 455512231 /nfs/dbraw/zinc/51/22/31/455512231.db2.gz RAXNKPOYHDYZGM-KXBFYZLASA-N 1 0 328.412 3.314 20 5 EGBDRO COCCC(C)(C)C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000185287585 455535091 /nfs/dbraw/zinc/53/50/91/455535091.db2.gz BKOQLEPCWRHKOG-UHFFFAOYSA-N 1 0 346.431 3.148 20 5 EGBDRO Cc1cnc([C@@H]([NH2+]CCOc2ccccc2[N+](=O)[O-])C2CC2)s1 ZINC000185332809 455541084 /nfs/dbraw/zinc/54/10/84/455541084.db2.gz YQJJAAUMLJCYCJ-HNNXBMFYSA-N 1 0 333.413 3.479 20 5 EGBDRO C[C@H]([NH2+]C[C@@H](O)c1ccc(Cl)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283928013 455611352 /nfs/dbraw/zinc/61/13/52/455611352.db2.gz DXCLDLQHCPITFV-MGPLVRAMSA-N 1 0 335.791 3.215 20 5 EGBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@@H]1OCCc2sccc21 ZINC000292282623 455617640 /nfs/dbraw/zinc/61/76/40/455617640.db2.gz BWORFWSHODJLFO-SJCJKPOMSA-N 1 0 332.425 3.491 20 5 EGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1cnn(CC)c1 ZINC000271420046 455630355 /nfs/dbraw/zinc/63/03/55/455630355.db2.gz AGHAHCYPLWRWIJ-AWEZNQCLSA-N 1 0 334.445 3.472 20 5 EGBDRO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(S(C)(=O)=O)cc1 ZINC000192543251 455638672 /nfs/dbraw/zinc/63/86/72/455638672.db2.gz LIGXVPFVXZIHQU-CHWSQXEVSA-N 1 0 348.424 3.410 20 5 EGBDRO Cc1c([C@H](C)[NH2+]CCCN2C[C@H](C)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000247888514 455652737 /nfs/dbraw/zinc/65/27/37/455652737.db2.gz DRFVMXBQJXHBTQ-DZKIICNBSA-N 1 0 335.448 3.053 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCCOC[C@@H]1CCCO1)CCC2 ZINC000192620464 455655311 /nfs/dbraw/zinc/65/53/11/455655311.db2.gz VXTWIXAFLYPGKN-WMZOPIPTSA-N 1 0 334.416 3.148 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@H]1CCCC[C@H]1C ZINC000192623144 455655833 /nfs/dbraw/zinc/65/58/33/455655833.db2.gz XWQQPCAXSIMRSF-DOMZBBRYSA-N 1 0 335.404 3.052 20 5 EGBDRO NC(=O)Nc1ccc(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000192645809 455661718 /nfs/dbraw/zinc/66/17/18/455661718.db2.gz XEKGKRIYBZKTSI-QGZVFWFLSA-N 1 0 340.383 3.253 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@H]1COC2(CCCC2)O1)C1CC1 ZINC000271726472 455735818 /nfs/dbraw/zinc/73/58/18/455735818.db2.gz OLKXLBBYSMJQQU-DLBZAZTESA-N 1 0 346.427 3.191 20 5 EGBDRO CCCCC[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000271761004 455750848 /nfs/dbraw/zinc/75/08/48/455750848.db2.gz CVTVZZAAUMHFLD-ZWKOTPCHSA-N 1 0 346.431 3.063 20 5 EGBDRO COc1cccc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000249346867 455750882 /nfs/dbraw/zinc/75/08/82/455750882.db2.gz OOEPDJGKQGNGLD-DZGCQCFKSA-N 1 0 331.416 3.057 20 5 EGBDRO CCC(=O)CCN1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000284940944 455764755 /nfs/dbraw/zinc/76/47/55/455764755.db2.gz WNQOEJJWMUNXJS-UHFFFAOYSA-N 1 0 341.205 3.085 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@@H](CCO)c1ccco1)C1CC1 ZINC000186550497 455791460 /nfs/dbraw/zinc/79/14/60/455791460.db2.gz FTDOFAPYFJGZDR-HOTGVXAUSA-N 1 0 330.384 3.222 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@H](C)[C@@H]1C ZINC000251680263 455794420 /nfs/dbraw/zinc/79/44/20/455794420.db2.gz GUVQNGYYTSZDKN-PWNZVWSESA-N 1 0 349.431 3.345 20 5 EGBDRO [NH3+][C@H]1CC[C@H](C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000269220200 455814084 /nfs/dbraw/zinc/81/40/84/455814084.db2.gz NCFDDCMFQLUGRX-STQMWFEESA-N 1 0 341.367 3.453 20 5 EGBDRO CCO[C@H](C[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)c1ccccc1 ZINC000194466713 455846096 /nfs/dbraw/zinc/84/60/96/455846096.db2.gz UKFQBPXZFMONMQ-GOSISDBHSA-N 1 0 330.384 3.471 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCCc1cccc(C)n1 ZINC000285572164 455872790 /nfs/dbraw/zinc/87/27/90/455872790.db2.gz NVTTZUHHHPDWBR-UHFFFAOYSA-N 1 0 329.400 3.419 20 5 EGBDRO Cn1ncc2c1CCC[C@@H]2[N@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255868229 455874377 /nfs/dbraw/zinc/87/43/77/455874377.db2.gz FFEGKISHWJLMEU-QLBOMPFWSA-N 1 0 326.400 3.351 20 5 EGBDRO C[C@@]1(O)CCC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000280086436 455887355 /nfs/dbraw/zinc/88/73/55/455887355.db2.gz ODTKERKGAGWSOZ-GOSISDBHSA-N 1 0 345.399 3.029 20 5 EGBDRO CCS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000270272375 455916945 /nfs/dbraw/zinc/91/69/45/455916945.db2.gz WRZOROHACKWQDU-ZDUSSCGKSA-N 1 0 348.424 3.239 20 5 EGBDRO CCC[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)CC(C)(C)O ZINC000270570771 455984584 /nfs/dbraw/zinc/98/45/84/455984584.db2.gz GQRUDUIEHAHYET-UHFFFAOYSA-N 1 0 333.388 3.233 20 5 EGBDRO CO[C@]1(C)CCC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000280559386 455999552 /nfs/dbraw/zinc/99/95/52/455999552.db2.gz QZZVGRSIFDFCQL-RDTXWAMCSA-N 1 0 349.431 3.121 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000286278431 456015543 /nfs/dbraw/zinc/01/55/43/456015543.db2.gz RBIWUFHMOJEMCJ-XYPWUTKMSA-N 1 0 345.443 3.217 20 5 EGBDRO C[NH+](C)[C@@H](CNc1ncc([N+](=O)[O-])cc1Cl)Cc1ccccc1 ZINC000301268213 456077349 /nfs/dbraw/zinc/07/73/49/456077349.db2.gz IRFGRSQIPQXMRX-CYBMUJFWSA-N 1 0 334.807 3.228 20 5 EGBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000301278868 456079293 /nfs/dbraw/zinc/07/92/93/456079293.db2.gz JNVYTDIWSOMDMQ-INIZCTEOSA-N 1 0 326.400 3.375 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1C[C@H]2CCCC[N@H+]2C[C@@H]1C ZINC000332517606 456085353 /nfs/dbraw/zinc/08/53/53/456085353.db2.gz KSUVJXCCDGBKFB-GOEBONIOSA-N 1 0 345.443 3.219 20 5 EGBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000332591187 456095533 /nfs/dbraw/zinc/09/55/33/456095533.db2.gz FICNJMVCRZXRQK-CQSZACIVSA-N 1 0 349.456 3.017 20 5 EGBDRO COc1cc(NCc2ccc(-n3ccnc3C)nc2)ccc1[N+](=O)[O-] ZINC000301374767 456101269 /nfs/dbraw/zinc/10/12/69/456101269.db2.gz QZOHBLPBRSZKHI-UHFFFAOYSA-N 1 0 339.355 3.105 20 5 EGBDRO Cc1cc(NCCCO[C@@H]2CCOC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272899617 456106989 /nfs/dbraw/zinc/10/69/89/456106989.db2.gz ZQILCHDCCAOCFP-CQSZACIVSA-N 1 0 331.372 3.059 20 5 EGBDRO COc1ccc(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000272921730 456113011 /nfs/dbraw/zinc/11/30/11/456113011.db2.gz MVZVJXFAGFPRJJ-ZDUSSCGKSA-N 1 0 347.415 3.197 20 5 EGBDRO Cc1nc(N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000301639976 456172111 /nfs/dbraw/zinc/17/21/11/456172111.db2.gz GFPKUVOKVKZPMY-XJKSGUPXSA-N 1 0 326.400 3.373 20 5 EGBDRO C[C@@H]1C[C@H](CC[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CCO1 ZINC000273084253 456172806 /nfs/dbraw/zinc/17/28/06/456172806.db2.gz RHSMBDNYHWZNQG-VXGBXAGGSA-N 1 0 344.358 3.491 20 5 EGBDRO COc1ccc([C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)cc1 ZINC000263642551 456179659 /nfs/dbraw/zinc/17/96/59/456179659.db2.gz AKARRDHELZLBCD-GFCCVEGCSA-N 1 0 344.367 3.321 20 5 EGBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CCC3(C2)CCOCC3)c1 ZINC000271221077 456180901 /nfs/dbraw/zinc/18/09/01/456180901.db2.gz PCBFYISMDKPONY-UHFFFAOYSA-N 1 0 342.342 3.199 20 5 EGBDRO CSCCC[N@H+](C)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000281261275 456182934 /nfs/dbraw/zinc/18/29/34/456182934.db2.gz FGSGVDSTLPKDTA-NSHDSACASA-N 1 0 336.417 3.391 20 5 EGBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000301747478 456205127 /nfs/dbraw/zinc/20/51/27/456205127.db2.gz QYQWQCSWAMSYEJ-CYBMUJFWSA-N 1 0 346.818 3.354 20 5 EGBDRO Cc1nc(N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000297398272 456209741 /nfs/dbraw/zinc/20/97/41/456209741.db2.gz FORAFIOWLFHJNR-CJNGLKHVSA-N 1 0 341.415 3.158 20 5 EGBDRO COCCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000263776699 456219909 /nfs/dbraw/zinc/21/99/09/456219909.db2.gz KVSKINPURHHRCQ-UHFFFAOYSA-N 1 0 344.415 3.056 20 5 EGBDRO O=[N+]([O-])c1ccc2nccc(N3CC[C@@H](C[NH+]4CCCC4)C3)c2c1 ZINC000601121859 460719139 /nfs/dbraw/zinc/71/91/39/460719139.db2.gz PYTSOAPLKGHPPE-AWEZNQCLSA-N 1 0 326.400 3.065 20 5 EGBDRO CC[N@@H+]1CCCC[C@H]1CNc1ccc([N+](=O)[O-])cc1OC(F)F ZINC000302047192 456275641 /nfs/dbraw/zinc/27/56/41/456275641.db2.gz LMNNCRPLVXPDLZ-LBPRGKRZSA-N 1 0 329.347 3.483 20 5 EGBDRO C[C@H]1CCC[N@H+](CCNc2ccc([N+](=O)[O-])cc2OC(F)F)C1 ZINC000302061839 456277685 /nfs/dbraw/zinc/27/76/85/456277685.db2.gz UCLKHUDGODNVAM-NSHDSACASA-N 1 0 329.347 3.340 20 5 EGBDRO CC(C)[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2OC(F)F)CC1 ZINC000302137827 456296433 /nfs/dbraw/zinc/29/64/33/456296433.db2.gz CBZCWNPIQSOHNC-UHFFFAOYSA-N 1 0 329.347 3.481 20 5 EGBDRO CC(C)(CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)[NH+]1CCCCC1 ZINC000342914135 456309987 /nfs/dbraw/zinc/30/99/87/456309987.db2.gz MJUMNAVHZFMYCT-UHFFFAOYSA-N 1 0 344.415 3.070 20 5 EGBDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342913448 456310091 /nfs/dbraw/zinc/31/00/91/456310091.db2.gz IBXNBHFAUPOFAQ-CYBMUJFWSA-N 1 0 344.415 3.070 20 5 EGBDRO Cc1ccnc(N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000302186697 456310845 /nfs/dbraw/zinc/31/08/45/456310845.db2.gz VQGAHBHYHZDZIQ-GOEBONIOSA-N 1 0 326.400 3.231 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]1C1CCOCC1 ZINC000347695342 456311531 /nfs/dbraw/zinc/31/15/31/456311531.db2.gz YRMLPLIVWVTPFO-QGZVFWFLSA-N 1 0 334.416 3.385 20 5 EGBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000347709090 456318783 /nfs/dbraw/zinc/31/87/83/456318783.db2.gz YQKQRAWKDPNKOE-UHFFFAOYSA-N 1 0 339.395 3.249 20 5 EGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000352822945 456337205 /nfs/dbraw/zinc/33/72/05/456337205.db2.gz IWOJGILCOVZBSG-FZMZJTMJSA-N 1 0 332.322 3.435 20 5 EGBDRO O=[N+]([O-])c1cnc(N[C@@H](C[NH+]2CCCCC2)c2ccccc2)nc1 ZINC000612785568 460729288 /nfs/dbraw/zinc/72/92/88/460729288.db2.gz UXRIUYOIIMHRMN-INIZCTEOSA-N 1 0 327.388 3.024 20 5 EGBDRO O=[N+]([O-])c1cnc(N[C@H](C[NH+]2CCCCC2)c2ccccc2)nc1 ZINC000612785569 460729317 /nfs/dbraw/zinc/72/93/17/460729317.db2.gz UXRIUYOIIMHRMN-MRXNPFEDSA-N 1 0 327.388 3.024 20 5 EGBDRO O=C1[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CCCN1C1CCCCC1 ZINC000276234314 456420110 /nfs/dbraw/zinc/42/01/10/456420110.db2.gz SRXBYWAEWVIUIH-KRWDZBQOSA-N 1 0 331.416 3.008 20 5 EGBDRO C[C@H](C[N@H+](C)Cc1ccccc1)Nc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000302908057 456434082 /nfs/dbraw/zinc/43/40/82/456434082.db2.gz XYMMUBQETKSQHA-CQSZACIVSA-N 1 0 340.427 3.495 20 5 EGBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCCN(c3ccccc3)CC2)c1 ZINC000303011376 456441217 /nfs/dbraw/zinc/44/12/17/456441217.db2.gz XASJPSMUPZCETF-UHFFFAOYSA-N 1 0 341.411 3.186 20 5 EGBDRO COc1cc(C[NH2+]CC2(C(F)(F)F)CCC2)c([N+](=O)[O-])cc1OC ZINC000353062668 456468324 /nfs/dbraw/zinc/46/83/24/456468324.db2.gz JWRFDPVCBPDZPG-UHFFFAOYSA-N 1 0 348.321 3.434 20 5 EGBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000340503886 456496700 /nfs/dbraw/zinc/49/67/00/456496700.db2.gz ONXGOHMXZHOMBC-UPJWGTAASA-N 1 0 337.445 3.134 20 5 EGBDRO CCCN(CC[NH+]1CCCC1)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000348138754 456510511 /nfs/dbraw/zinc/51/05/11/456510511.db2.gz JNXVGZGEECRNOG-UHFFFAOYSA-N 1 0 334.420 3.243 20 5 EGBDRO CO[C@@H]1C[C@@H](CN(C)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])[N@H+](C)C1 ZINC000343298959 456515409 /nfs/dbraw/zinc/51/54/09/456515409.db2.gz ACFNDQXXMNJNOU-WDEREUQCSA-N 1 0 348.230 3.057 20 5 EGBDRO CCO[C@H]1COCC[C@H]1[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000353183139 456544500 /nfs/dbraw/zinc/54/45/00/456544500.db2.gz HCSCDCMTXZGDEO-QAPCUYQASA-N 1 0 346.383 3.138 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCCN(Cc3ccccc3)C2)cc1 ZINC000310209411 456579421 /nfs/dbraw/zinc/57/94/21/456579421.db2.gz AQPXVMDFWPCTDT-IBGZPJMESA-N 1 0 339.439 3.392 20 5 EGBDRO Cc1ccc(C[NH2+][C@@H]2CCO[C@H]2c2ccnn2C(C)C)cc1[N+](=O)[O-] ZINC000343388588 456581854 /nfs/dbraw/zinc/58/18/54/456581854.db2.gz JPGLVGBCDCDCGM-CRAIPNDOSA-N 1 0 344.415 3.300 20 5 EGBDRO Cc1ccc(C[NH2+][C@@H]2CCO[C@@H]2c2ccnn2C(C)C)cc1[N+](=O)[O-] ZINC000343388591 456582004 /nfs/dbraw/zinc/58/20/04/456582004.db2.gz JPGLVGBCDCDCGM-QAPCUYQASA-N 1 0 344.415 3.300 20 5 EGBDRO CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000299313784 456656441 /nfs/dbraw/zinc/65/64/41/456656441.db2.gz NNRXHONUYSQMIP-RDJZCZTQSA-N 1 0 349.431 3.107 20 5 EGBDRO COc1cc(CN2CCC(F)(F)[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000291507538 456664437 /nfs/dbraw/zinc/66/44/37/456664437.db2.gz IAWUPOBANMXUIE-JTQLQIEISA-N 1 0 330.331 3.089 20 5 EGBDRO C[C@H]1CC[N@H+](C)CCN1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000353433536 456695443 /nfs/dbraw/zinc/69/54/43/456695443.db2.gz GVKXIHHSPYAPSO-AWEZNQCLSA-N 1 0 329.400 3.381 20 5 EGBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000291628157 456701574 /nfs/dbraw/zinc/70/15/74/456701574.db2.gz UPFGXMHSGAHAEH-LLVKDONJSA-N 1 0 327.812 3.098 20 5 EGBDRO COc1ccc(CN2CC[NH+](C3CCC(C)CC3)CC2)cc1[N+](=O)[O-] ZINC000353492045 456711734 /nfs/dbraw/zinc/71/17/34/456711734.db2.gz MYUCOBSBPHTTST-UHFFFAOYSA-N 1 0 347.459 3.300 20 5 EGBDRO Cn1ccnc1[C@@H]([NH2+]CC1CCSCC1)c1cccc([N+](=O)[O-])c1 ZINC000353535662 456739424 /nfs/dbraw/zinc/73/94/24/456739424.db2.gz WNIPZAOVKQPFCO-INIZCTEOSA-N 1 0 346.456 3.151 20 5 EGBDRO CN(CC[N@H+](C)C1CCCCC1)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000299654494 456755433 /nfs/dbraw/zinc/75/54/33/456755433.db2.gz LNGQGQSTNPCSIG-UHFFFAOYSA-N 1 0 337.395 3.070 20 5 EGBDRO CC[C@H]1CC[C@H](C)[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000299725148 456774267 /nfs/dbraw/zinc/77/42/67/456774267.db2.gz UEVQWRVHMFTEOC-STQMWFEESA-N 1 0 335.404 3.195 20 5 EGBDRO CC(C)[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H]1CCOC1 ZINC000291866419 456782204 /nfs/dbraw/zinc/78/22/04/456782204.db2.gz PNNSXFRXGJMZQB-MRXNPFEDSA-N 1 0 345.399 3.292 20 5 EGBDRO O=[N+]([O-])c1ccc(Nc2ccc(CC[NH+]3CCOCC3)cc2)c(F)c1 ZINC000301070565 456790273 /nfs/dbraw/zinc/79/02/73/456790273.db2.gz GLSKMMZFDCVSEL-UHFFFAOYSA-N 1 0 345.374 3.352 20 5 EGBDRO CO[C@@H]1CCC[C@@H]1C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000341274840 456829757 /nfs/dbraw/zinc/82/97/57/456829757.db2.gz YCXDZIPCCBVQFK-ZWNOBZJWSA-N 1 0 330.331 3.101 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(CN3C[C@H]4CCC[NH2+][C@H]4C3)o2)cc1 ZINC000353688362 456854788 /nfs/dbraw/zinc/85/47/88/456854788.db2.gz OFEVFFHXTPQCSQ-PBHICJAKSA-N 1 0 327.384 3.039 20 5 EGBDRO C[C@H]([NH2+]Cc1ccc(C[S@@](C)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000353793466 456908586 /nfs/dbraw/zinc/90/85/86/456908586.db2.gz JLGSNNZDVQADEX-ZAMGYDSWSA-N 1 0 332.425 3.324 20 5 EGBDRO C[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)[C@@H](C)C[N@@H+]1C ZINC000339062143 456922725 /nfs/dbraw/zinc/92/27/25/456922725.db2.gz YDDMVPKZZBXLRV-MNOVXSKESA-N 1 0 331.338 3.138 20 5 EGBDRO CCCC[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1ccc(OC)cc1 ZINC000341795249 456947852 /nfs/dbraw/zinc/94/78/52/456947852.db2.gz FNUAYUHKEVXMTG-OAHLLOKOSA-N 1 0 332.404 3.358 20 5 EGBDRO O=[N+]([O-])c1ccc([O-])cc1CN(Cc1ccccc1)CC1(CO)CC1 ZINC000339176002 456978050 /nfs/dbraw/zinc/97/80/50/456978050.db2.gz ZDTZAVJWNDOLRW-UHFFFAOYSA-N 1 0 342.395 3.075 20 5 EGBDRO C[C@H](CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)[NH+]1CCCCC1 ZINC000345757755 456991870 /nfs/dbraw/zinc/99/18/70/456991870.db2.gz WWBXAJIOTBCKME-CYBMUJFWSA-N 1 0 345.399 3.335 20 5 EGBDRO CC[NH+](CC)Cc1cccc(CNc2ncc([N+](=O)[O-])cc2C)c1 ZINC000341916090 457000068 /nfs/dbraw/zinc/00/00/68/457000068.db2.gz KDYPTPFJBPXZTM-UHFFFAOYSA-N 1 0 328.416 3.174 20 5 EGBDRO CC[NH+](CC)CC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000330593868 457059395 /nfs/dbraw/zinc/05/93/95/457059395.db2.gz WUFPLRVETXPIHP-UHFFFAOYSA-N 1 0 333.432 3.097 20 5 EGBDRO CC(C)[NH+]1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000349805695 457059667 /nfs/dbraw/zinc/05/96/67/457059667.db2.gz VWWGTVAYBSKAPX-UHFFFAOYSA-N 1 0 329.400 3.381 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000339428702 457111365 /nfs/dbraw/zinc/11/13/65/457111365.db2.gz UXEMMIJOJZBLMS-IBGZPJMESA-N 1 0 347.459 3.300 20 5 EGBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)C[C@H]1C ZINC000331026694 457121851 /nfs/dbraw/zinc/12/18/51/457121851.db2.gz VLWPYEBMSLSMMS-UKRRQHHQSA-N 1 0 334.420 3.240 20 5 EGBDRO CC(C)c1ccc(C[NH2+][C@H](CC(N)=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000339531596 457137320 /nfs/dbraw/zinc/13/73/20/457137320.db2.gz MYGLLRGQFQWSKV-QGZVFWFLSA-N 1 0 341.411 3.425 20 5 EGBDRO COc1ccc(-c2ccc(C[N@H+](CCO)C(C)C)o2)c([N+](=O)[O-])c1 ZINC000350055858 457156984 /nfs/dbraw/zinc/15/69/84/457156984.db2.gz VUHNSLILGFIUGR-UHFFFAOYSA-N 1 0 334.372 3.066 20 5 EGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1cnc(C)[nH]c1=O ZINC000346796848 457175357 /nfs/dbraw/zinc/17/53/57/457175357.db2.gz OELINFKMRWMOAF-ZDUSSCGKSA-N 1 0 348.428 3.059 20 5 EGBDRO Cc1cc(C(=O)N2CC[NH+](C3CCC(C)CC3)CC2)cc([N+](=O)[O-])c1 ZINC000359983875 457186236 /nfs/dbraw/zinc/18/62/36/457186236.db2.gz FXSCMWHFGUWUPT-UHFFFAOYSA-N 1 0 345.443 3.240 20 5 EGBDRO CCN(CC[NH+]1CCCCCC1)C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000331506947 457196323 /nfs/dbraw/zinc/19/63/23/457196323.db2.gz MKLINUJVKNWTRF-UHFFFAOYSA-N 1 0 339.461 3.303 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](CO)c2ccccc2Cl)c(F)c1 ZINC000342315263 457232624 /nfs/dbraw/zinc/23/26/24/457232624.db2.gz YZMBCVDPHVMSHI-LBPRGKRZSA-N 1 0 338.766 3.253 20 5 EGBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](C)C2(CCC2)C1 ZINC000357011439 457274554 /nfs/dbraw/zinc/27/45/54/457274554.db2.gz ODNASKYQOKUOAI-KGLIPLIRSA-N 1 0 331.416 3.434 20 5 EGBDRO CC(C)[NH+](CCCNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)C(C)C ZINC000347251322 457311139 /nfs/dbraw/zinc/31/11/39/457311139.db2.gz AWUIFXBHLJLUCR-UHFFFAOYSA-N 1 0 340.399 3.364 20 5 EGBDRO C[C@@H]1CC(C)(C)C[C@](CO)([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000332235626 457333448 /nfs/dbraw/zinc/33/34/48/457333448.db2.gz PXTMFFBJSSMGIA-KZULUSFZSA-N 1 0 346.431 3.138 20 5 EGBDRO CCC(C)(C)[NH2+][C@@H](C)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000357137129 457341060 /nfs/dbraw/zinc/34/10/60/457341060.db2.gz CEVTYJYIQKXBSI-ZDUSSCGKSA-N 1 0 333.432 3.253 20 5 EGBDRO CC(C)(C)c1ccc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000332287035 457342895 /nfs/dbraw/zinc/34/28/95/457342895.db2.gz SGTWNYFECIBFSN-HOTGVXAUSA-N 1 0 345.443 3.249 20 5 EGBDRO CCN(CC[NH+]1CCCCCC1)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000347309845 457345683 /nfs/dbraw/zinc/34/56/83/457345683.db2.gz OFXIKFVPTGVGMI-UHFFFAOYSA-N 1 0 345.447 3.169 20 5 EGBDRO CCc1ccc([C@H](CNc2c([N+](=O)[O-])nc(C)n2CC)[NH+](C)C)cc1 ZINC000360840863 457378729 /nfs/dbraw/zinc/37/87/29/457378729.db2.gz DDFLYGKUBHSYBV-INIZCTEOSA-N 1 0 345.447 3.397 20 5 EGBDRO CC(=O)N[C@@H](C)C1CC[NH+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000347370184 457380996 /nfs/dbraw/zinc/38/09/96/457380996.db2.gz ITWICZSXYMTOKK-GOFCXVBSSA-N 1 0 345.443 3.235 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000360863504 457390378 /nfs/dbraw/zinc/39/03/78/457390378.db2.gz DALUZMXAJQLNGS-CZUORRHYSA-N 1 0 326.400 3.231 20 5 EGBDRO CO[C@@H]1CCC[N@@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000363679052 457413844 /nfs/dbraw/zinc/41/38/44/457413844.db2.gz UXSKEOJTRIRKSK-IUODEOHRSA-N 1 0 346.387 3.207 20 5 EGBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000360961492 457468816 /nfs/dbraw/zinc/46/88/16/457468816.db2.gz RLLFDFNRYQVQMH-HNNXBMFYSA-N 1 0 331.420 3.143 20 5 EGBDRO CCC[C@@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000347509729 457474557 /nfs/dbraw/zinc/47/45/57/457474557.db2.gz AVKNACGQHWSWLW-IEBWSBKVSA-N 1 0 344.411 3.466 20 5 EGBDRO O=C(c1ccc2c(c1)C[NH2+]C2)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000347545502 457498496 /nfs/dbraw/zinc/49/84/96/457498496.db2.gz CYOBIFQMETTYMP-UHFFFAOYSA-N 1 0 337.379 3.003 20 5 EGBDRO C[N@H+](Cc1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CCSC1 ZINC000425424471 457548714 /nfs/dbraw/zinc/54/87/14/457548714.db2.gz SEOITXAAUDSAQF-LLVKDONJSA-N 1 0 331.235 3.295 20 5 EGBDRO CO[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425437149 457552693 /nfs/dbraw/zinc/55/26/93/457552693.db2.gz XVJQXVUOBVSZSI-GXTWGEPZSA-N 1 0 343.221 3.405 20 5 EGBDRO CC(C)c1ccc(C[N@@H+]2CC[C@H](N3CCOCC3)[C@H]2C)cc1[N+](=O)[O-] ZINC000356258698 457553902 /nfs/dbraw/zinc/55/39/02/457553902.db2.gz LVROGPHDFKTHMB-QAPCUYQASA-N 1 0 347.459 3.013 20 5 EGBDRO COc1c(C(=O)Nc2cc(C[NH+](C)C)ccc2C)cccc1[N+](=O)[O-] ZINC000356310548 457567578 /nfs/dbraw/zinc/56/75/78/457567578.db2.gz ULDCIOHCJKXOAW-UHFFFAOYSA-N 1 0 343.383 3.226 20 5 EGBDRO CCc1cnccc1[C@@H](C)[NH2+][C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000361134301 457603638 /nfs/dbraw/zinc/60/36/38/457603638.db2.gz DLTXVAMQVVMZHO-CHWSQXEVSA-N 1 0 342.399 3.230 20 5 EGBDRO CCc1cnccc1[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000361134699 457604666 /nfs/dbraw/zinc/60/46/66/457604666.db2.gz IDUIWNOYJBKITQ-OLZOCXBDSA-N 1 0 342.399 3.230 20 5 EGBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)C1CC[NH+](CC)CC1 ZINC000361215394 457648535 /nfs/dbraw/zinc/64/85/35/457648535.db2.gz YTHUHLAFWSHBMK-INIZCTEOSA-N 1 0 347.459 3.106 20 5 EGBDRO CCO[C@@H]1C[C@@H]([N@H+](C)CCOc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000357802034 457695436 /nfs/dbraw/zinc/69/54/36/457695436.db2.gz LDOFTRZKEZPOOX-IAGOWNOFSA-N 1 0 334.416 3.253 20 5 EGBDRO COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000358008078 457738610 /nfs/dbraw/zinc/73/86/10/457738610.db2.gz ATORLIRDHPTUHK-GFCCVEGCSA-N 1 0 343.383 3.413 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@H]1CCC(C)(C)C1 ZINC000361467529 457740589 /nfs/dbraw/zinc/74/05/89/457740589.db2.gz CKURNGGJRGLUJD-AWEZNQCLSA-N 1 0 349.431 3.443 20 5 EGBDRO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)CC1CCC1 ZINC000361481660 457745423 /nfs/dbraw/zinc/74/54/23/457745423.db2.gz PLHDSGYNPISGAA-UHFFFAOYSA-N 1 0 335.404 3.054 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCS[C@H](c3ccccc3)C2)c1 ZINC000370999370 457754965 /nfs/dbraw/zinc/75/49/65/457754965.db2.gz QCWQJPQJVISZIK-ROUUACIJSA-N 1 0 344.436 3.418 20 5 EGBDRO CC(C)O[C@@H]1C[C@H]([NH2+][C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000361553083 457792242 /nfs/dbraw/zinc/79/22/42/457792242.db2.gz WHOADCGWTIXTCD-VBNZEHGJSA-N 1 0 349.431 3.104 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](O)C12CCCC2 ZINC000433295605 457802420 /nfs/dbraw/zinc/80/24/20/457802420.db2.gz FBZOJIFYKZXTMO-QGZVFWFLSA-N 1 0 334.416 3.261 20 5 EGBDRO CC(C)C(=O)NCCC[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433303347 457803322 /nfs/dbraw/zinc/80/33/22/457803322.db2.gz KSESXNWKVNCKDZ-INIZCTEOSA-N 1 0 333.432 3.069 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CC[C@H]([C@@H]4CCOC4)C3)co2)cc1 ZINC000371187324 457820138 /nfs/dbraw/zinc/82/01/38/457820138.db2.gz BIALIJJHXKHYDF-LSDHHAIUSA-N 1 0 343.383 3.108 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000375405832 457918583 /nfs/dbraw/zinc/91/85/83/457918583.db2.gz RPKULWAYEODQRQ-CQSZACIVSA-N 1 0 328.372 3.153 20 5 EGBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000358322050 457931864 /nfs/dbraw/zinc/93/18/64/457931864.db2.gz QOZVIUNDQXKXPR-LLVKDONJSA-N 1 0 327.812 3.098 20 5 EGBDRO CC[C@H]1CCCC[C@@H]1[N@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000444677392 457936679 /nfs/dbraw/zinc/93/66/79/457936679.db2.gz PLLIWJFDVCPHHE-YOEHRIQHSA-N 1 0 345.443 3.385 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C(C)C)C1 ZINC000444771917 457972421 /nfs/dbraw/zinc/97/24/21/457972421.db2.gz SDHQZNWMDIGPSE-KGLIPLIRSA-N 1 0 349.431 3.298 20 5 EGBDRO Cc1ccccc1[C@@H](CC(F)(F)F)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000444787418 457977149 /nfs/dbraw/zinc/97/71/49/457977149.db2.gz XRYQELFFNCWIJL-CYBMUJFWSA-N 1 0 342.321 3.383 20 5 EGBDRO Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCC[NH+](C)C ZINC000458229739 457979853 /nfs/dbraw/zinc/97/98/53/457979853.db2.gz QLXSDYVEZZBMKW-UHFFFAOYSA-N 1 0 343.383 3.096 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN(C)CC1([NH+](C)C)CCC1 ZINC000445848749 458100161 /nfs/dbraw/zinc/10/01/61/458100161.db2.gz KFWWXJCTGWIHAW-UHFFFAOYSA-N 1 0 335.448 3.298 20 5 EGBDRO Cn1ccnc1[C@H]1CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000376041057 458173379 /nfs/dbraw/zinc/17/33/79/458173379.db2.gz DPQOIGMTCLVYRL-RRGWEWPQSA-N 1 0 326.400 3.221 20 5 EGBDRO CSc1cccc(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000376409286 458292290 /nfs/dbraw/zinc/29/22/90/458292290.db2.gz RRINFPIHWNSBJE-QWHCGFSZSA-N 1 0 349.456 3.016 20 5 EGBDRO Cc1ccccc1OC[C@H](O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429260322 458300828 /nfs/dbraw/zinc/30/08/28/458300828.db2.gz LVYDHIVGEPRLFB-OAHLLOKOSA-N 1 0 344.411 3.168 20 5 EGBDRO COCc1ccc(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000447536068 458306279 /nfs/dbraw/zinc/30/62/79/458306279.db2.gz KVIHLANAHAHQKI-DLBZAZTESA-N 1 0 344.415 3.211 20 5 EGBDRO CC(C)[C@H]1C[N@H+](C)CCN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000436485517 458311746 /nfs/dbraw/zinc/31/17/46/458311746.db2.gz OZLFMPSWCJZYSZ-QGZVFWFLSA-N 1 0 344.415 3.022 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1OC(F)F ZINC000369671976 458312627 /nfs/dbraw/zinc/31/26/27/458312627.db2.gz KVLHWZDOYYJKNF-VXGBXAGGSA-N 1 0 327.331 3.235 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H](CO)Cc1ccccc1)CCC2 ZINC000447591700 458318164 /nfs/dbraw/zinc/31/81/64/458318164.db2.gz IVLKWWPGQTTYRB-QFBILLFUSA-N 1 0 326.396 3.165 20 5 EGBDRO C[C@H]([NH3+])c1ccc(CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000429477724 458336638 /nfs/dbraw/zinc/33/66/38/458336638.db2.gz QJRXSVAHZUOMSR-ZDUSSCGKSA-N 1 0 341.411 3.209 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000447997964 458376513 /nfs/dbraw/zinc/37/65/13/458376513.db2.gz DNDRDPFZSWVYDD-HNNXBMFYSA-N 1 0 348.447 3.454 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](CCn3cc(Cl)cn3)C2)cc1 ZINC000459519162 458398603 /nfs/dbraw/zinc/39/86/03/458398603.db2.gz SKVLDLONWNWHFN-CQSZACIVSA-N 1 0 334.807 3.324 20 5 EGBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)c1cncc(F)c1 ZINC000459644341 458434612 /nfs/dbraw/zinc/43/46/12/458434612.db2.gz DYYDBQJKYAEMAY-NEPJUHHUSA-N 1 0 346.362 3.197 20 5 EGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@@H]2CCC(F)(F)C2)n1 ZINC000430742345 458487278 /nfs/dbraw/zinc/48/72/78/458487278.db2.gz WETAZUFABIXCAW-FRRDWIJNSA-N 1 0 328.363 3.300 20 5 EGBDRO CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000430822171 458495174 /nfs/dbraw/zinc/49/51/74/458495174.db2.gz JZFBLSZMKPGPGF-GDBMZVCRSA-N 1 0 333.432 3.225 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cn2ccsc2n1 ZINC000468599420 458528404 /nfs/dbraw/zinc/52/84/04/458528404.db2.gz JAODYFIZLJJZAL-KPKJPENVSA-N 1 0 328.397 3.497 20 5 EGBDRO CCOc1cc(C[N@@H+]2CCC[C@]2(CO)CC(C)C)ccc1[N+](=O)[O-] ZINC000493715023 458542654 /nfs/dbraw/zinc/54/26/54/458542654.db2.gz ZOFUWFMXPRZEGM-GOSISDBHSA-N 1 0 336.432 3.367 20 5 EGBDRO CCOc1cc(C[N@@H+]2CCC[C@@]2(CO)CC(C)C)ccc1[N+](=O)[O-] ZINC000493715024 458542881 /nfs/dbraw/zinc/54/28/81/458542881.db2.gz ZOFUWFMXPRZEGM-SFHVURJKSA-N 1 0 336.432 3.367 20 5 EGBDRO O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CCC[C@@H](n2ccnc2)C1 ZINC000377869243 458558186 /nfs/dbraw/zinc/55/81/86/458558186.db2.gz OJZHXZCJTYIKIL-LLVKDONJSA-N 1 0 349.778 3.314 20 5 EGBDRO Cc1cc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(F)cc1[N+](=O)[O-] ZINC000461934419 458580019 /nfs/dbraw/zinc/58/00/19/458580019.db2.gz GRQWLTVRYJOXIP-XJKSGUPXSA-N 1 0 333.407 3.495 20 5 EGBDRO C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000493915064 458600117 /nfs/dbraw/zinc/60/01/17/458600117.db2.gz RFRMTCXWTQRSKQ-DZGCQCFKSA-N 1 0 349.431 3.330 20 5 EGBDRO COc1cc(NCC2([NH+](C)C)Cc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000462889146 458665343 /nfs/dbraw/zinc/66/53/43/458665343.db2.gz IRJOMEDHBHYHNF-UHFFFAOYSA-N 1 0 341.411 3.115 20 5 EGBDRO CC[C@H](C)[NH+]1CCN(C(=O)[C@@H](CC)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000456538913 458707078 /nfs/dbraw/zinc/70/70/78/458707078.db2.gz XYDQPUKAQVZFKP-RDJZCZTQSA-N 1 0 347.459 3.106 20 5 EGBDRO CC(C)[NH+]1CCC(N(C)c2ccnc3c2cccc3[N+](=O)[O-])CC1 ZINC000432337680 458718558 /nfs/dbraw/zinc/71/85/58/458718558.db2.gz BYFVOEOMJLFXHB-UHFFFAOYSA-N 1 0 328.416 3.452 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCC[N@H+]1CC(C)C ZINC000439680385 458738279 /nfs/dbraw/zinc/73/82/79/458738279.db2.gz DRPSFPQTFVIXSO-MRXNPFEDSA-N 1 0 333.432 3.144 20 5 EGBDRO CCOc1ccc(NC(=O)C[N@@H+]2C[C@@H](C)CC2(C)C)c([N+](=O)[O-])c1 ZINC000472285844 458781723 /nfs/dbraw/zinc/78/17/23/458781723.db2.gz KWCMPQCKHBLIHP-LBPRGKRZSA-N 1 0 335.404 3.052 20 5 EGBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC(C)(C)C[NH+]1CCCC1 ZINC000457051643 458848613 /nfs/dbraw/zinc/84/86/13/458848613.db2.gz NEMDGJHZGCPPSW-MRXNPFEDSA-N 1 0 347.459 3.154 20 5 EGBDRO COC(=O)N1CCC[C@H]([C@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000495560873 458883395 /nfs/dbraw/zinc/88/33/95/458883395.db2.gz SLAWSOJWMNZAQM-YDHLFZDLSA-N 1 0 335.404 3.112 20 5 EGBDRO CC[C@@H]([NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC000531724377 458967270 /nfs/dbraw/zinc/96/72/70/458967270.db2.gz KIGXCPMEKZUCAJ-SUMWQHHRSA-N 1 0 349.431 3.107 20 5 EGBDRO O=[N+]([O-])c1ccc(OCC[NH2+]CCSCc2ccccc2)cc1 ZINC000519681628 458985051 /nfs/dbraw/zinc/98/50/51/458985051.db2.gz NFJGIYIZCRNAGV-UHFFFAOYSA-N 1 0 332.425 3.497 20 5 EGBDRO C[C@@H](C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000566774423 458997711 /nfs/dbraw/zinc/99/77/11/458997711.db2.gz GOBDGPOOCQRYHC-OWCLPIDISA-N 1 0 347.459 3.183 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCCC[C@H]1N1CCOCC1 ZINC000531995374 459014280 /nfs/dbraw/zinc/01/42/80/459014280.db2.gz UXBYDRXQJRKZGI-KFKAGJAMSA-N 1 0 347.459 3.197 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CC[C@](O)(C(F)(F)F)C1 ZINC000589938476 459053303 /nfs/dbraw/zinc/05/33/03/459053303.db2.gz SHKUUPUKMRKGIW-OTDDEKQNSA-N 1 0 344.333 3.434 20 5 EGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@H](CO)Cc1ccc(F)cc1 ZINC000594503372 459064995 /nfs/dbraw/zinc/06/49/95/459064995.db2.gz LMLFLSJOJGBUQS-KDOFPFPSSA-N 1 0 344.386 3.162 20 5 EGBDRO O=C1Nc2ccccc2CC[C@@H]1[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594514422 459072666 /nfs/dbraw/zinc/07/26/66/459072666.db2.gz XLAVNGGWQHSICD-IRXDYDNUSA-N 1 0 337.379 3.125 20 5 EGBDRO Cc1ccc([C@@H]2CCC[C@H]2[N@H+](C)CCn2ccc([N+](=O)[O-])n2)cc1 ZINC000478035030 459072972 /nfs/dbraw/zinc/07/29/72/459072972.db2.gz LUMJOCLFQDXXLR-DLBZAZTESA-N 1 0 328.416 3.368 20 5 EGBDRO Cc1ccc(C[NH2+][C@@H]2CCCN(C3CCCCC3)C2=O)cc1[N+](=O)[O-] ZINC000443002529 459073895 /nfs/dbraw/zinc/07/38/95/459073895.db2.gz OYVNCIDDICGVPQ-QGZVFWFLSA-N 1 0 345.443 3.317 20 5 EGBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC(C)(C)[C@H]3CCC[C@H]32)c1 ZINC000590379652 459122419 /nfs/dbraw/zinc/12/24/19/459122419.db2.gz KOLWVLIFAJDLGE-GOEBONIOSA-N 1 0 332.400 3.392 20 5 EGBDRO CCC(C)(C)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000558457315 459162205 /nfs/dbraw/zinc/16/22/05/459162205.db2.gz JTDSEXFUMXCIOY-UHFFFAOYSA-N 1 0 348.184 3.478 20 5 EGBDRO C[C@@H](Nc1ccc([N+](=O)[O-])c(N)c1F)[C@@H](c1ccccc1)[NH+](C)C ZINC000558607872 459179762 /nfs/dbraw/zinc/17/97/62/459179762.db2.gz BYWVXDHOSGIIQD-DIFFPNOSSA-N 1 0 332.379 3.419 20 5 EGBDRO C[C@H](CC[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000578435488 459200518 /nfs/dbraw/zinc/20/05/18/459200518.db2.gz DNCIEFZYSLUGCX-CRAIPNDOSA-N 1 0 344.411 3.118 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCc1ccc2c(c1)CCO2 ZINC000595007129 459212911 /nfs/dbraw/zinc/21/29/11/459212911.db2.gz GFJNBAOJDLMXCJ-CYBMUJFWSA-N 1 0 342.395 3.432 20 5 EGBDRO CCOc1ccc(NC(=O)C[N@@H+]2CCCC[C@@H]2C(C)C)c([N+](=O)[O-])c1 ZINC000533298979 459215723 /nfs/dbraw/zinc/21/57/23/459215723.db2.gz XVULHVSMQURDID-MRXNPFEDSA-N 1 0 349.431 3.443 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H](CO)Cc1ccc(C)cc1 ZINC000595041340 459225784 /nfs/dbraw/zinc/22/57/84/459225784.db2.gz PEKWYHBIGWZACV-GDBMZVCRSA-N 1 0 344.411 3.166 20 5 EGBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCCN(c2ccccc2)CC1 ZINC000595292594 459268797 /nfs/dbraw/zinc/26/87/97/459268797.db2.gz AZWZLZZXZGCGCW-UHFFFAOYSA-N 1 0 329.375 3.446 20 5 EGBDRO COc1cccc(C[C@H]2CCC[N@@H+]2Cc2onc(C)c2[N+](=O)[O-])c1 ZINC000595293260 459269729 /nfs/dbraw/zinc/26/97/29/459269729.db2.gz IQONUBBFLFYWBN-CQSZACIVSA-N 1 0 331.372 3.107 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CCC[C@@H]4COC[C@@H]43)o2)c1 ZINC000590972214 459286108 /nfs/dbraw/zinc/28/61/08/459286108.db2.gz ZBNOKQWNOFUPQL-PBHICJAKSA-N 1 0 328.368 3.466 20 5 EGBDRO O=[N+]([O-])c1cc(F)ccc1CN1CCO[C@@]2(CCc3ccccc32)C1 ZINC000595399224 459291389 /nfs/dbraw/zinc/29/13/89/459291389.db2.gz XHBOSBODIMPZIB-IBGZPJMESA-N 1 0 342.370 3.408 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](CC1CC1)C(C)C ZINC000591016802 459294826 /nfs/dbraw/zinc/29/48/26/459294826.db2.gz GYTJTJFZAZABEA-UHFFFAOYSA-N 1 0 335.404 3.052 20 5 EGBDRO Cc1c(NC(=O)CC[N@@H+]2CC[C@@H](C3CCC3)C2)cccc1[N+](=O)[O-] ZINC000591061720 459302671 /nfs/dbraw/zinc/30/26/71/459302671.db2.gz GCSXVRGDUWCPBO-OAHLLOKOSA-N 1 0 331.416 3.354 20 5 EGBDRO O=[N+]([O-])c1cc(F)ccc1CN1CCC[C@@H](Oc2ncccc2F)C1 ZINC000595462422 459311031 /nfs/dbraw/zinc/31/10/31/459311031.db2.gz VBSXHXOYSPYEKH-CQSZACIVSA-N 1 0 349.337 3.311 20 5 EGBDRO Cn1c(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)nc2ccc(Cl)cc21 ZINC000482604346 459316218 /nfs/dbraw/zinc/31/62/18/459316218.db2.gz LNKICUBXETZMRO-UHFFFAOYSA-N 1 0 344.802 3.467 20 5 EGBDRO COc1ccc(-c2ccc(CN[C@H]3CCC[NH2+]CC3)o2)c([N+](=O)[O-])c1 ZINC000591278483 459345643 /nfs/dbraw/zinc/34/56/43/459345643.db2.gz HVITWWUFWDJKHK-ZDUSSCGKSA-N 1 0 345.399 3.095 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H]3C[C@H](F)CN3)s2)cc1 ZINC000591281662 459346826 /nfs/dbraw/zinc/34/68/26/459346826.db2.gz JPJYOWNYJCGSKN-STQMWFEESA-N 1 0 335.404 3.113 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H](C(C)(C)C)C1 ZINC000483256206 459354790 /nfs/dbraw/zinc/35/47/90/459354790.db2.gz RUSJHTOPBMKYFT-ZDUSSCGKSA-N 1 0 349.431 3.300 20 5 EGBDRO CC(C)c1ccc(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000560517030 459363340 /nfs/dbraw/zinc/36/33/40/459363340.db2.gz QYWXGZAZWHLEBS-SFHVURJKSA-N 1 0 344.411 3.248 20 5 EGBDRO Cc1cc(N2CC[C@@H]3CC[NH2+][C@@H]3C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000591439022 459380077 /nfs/dbraw/zinc/38/00/77/459380077.db2.gz QLEVQBSNZZCDEU-CMPLNLGQSA-N 1 0 329.322 3.110 20 5 EGBDRO COC(=O)c1cc([C@@H](C)N2CCc3c(cccc3[N+](=O)[O-])C2)oc1C ZINC000569067422 459387753 /nfs/dbraw/zinc/38/77/53/459387753.db2.gz LPKSTWRVDVUOSJ-LLVKDONJSA-N 1 0 344.367 3.402 20 5 EGBDRO COC(=O)Nc1cccc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000496992845 459397420 /nfs/dbraw/zinc/39/74/20/459397420.db2.gz ZTZAWUCXFNBBJC-UHFFFAOYSA-N 1 0 329.356 3.371 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC([C@H]2CCCCO2)CC1 ZINC000595785541 459439442 /nfs/dbraw/zinc/43/94/42/459439442.db2.gz XOWLDGXSTLBSOX-QGZVFWFLSA-N 1 0 334.416 3.385 20 5 EGBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)Nc1cc([N+](=O)[O-])ccc1CC ZINC000582875991 459442593 /nfs/dbraw/zinc/44/25/93/459442593.db2.gz YGRNDRSFEKNGTN-CYBMUJFWSA-N 1 0 336.436 3.399 20 5 EGBDRO CC(C)(C)[C@H]1CC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000541390455 459452449 /nfs/dbraw/zinc/45/24/49/459452449.db2.gz RHUYKTJEIKGYEL-ZDUSSCGKSA-N 1 0 347.415 3.261 20 5 EGBDRO CN(c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1)[C@H]1CCC[N@H+](C)C1 ZINC000485404951 459453469 /nfs/dbraw/zinc/45/34/69/459453469.db2.gz LWVNYYZHXNTMAC-HNNXBMFYSA-N 1 0 344.390 3.326 20 5 EGBDRO O=[N+]([O-])c1cccc(Br)c1N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000596103865 459522060 /nfs/dbraw/zinc/52/20/60/459522060.db2.gz HIBFONIUTDDNKN-LLVKDONJSA-N 1 0 340.221 3.032 20 5 EGBDRO O=[N+]([O-])c1cc(N2CC[NH+](C3CCC3)CC2)ccc1C(F)(F)F ZINC000596125531 459530262 /nfs/dbraw/zinc/53/02/62/459530262.db2.gz AXRRKNGXOUNPLN-UHFFFAOYSA-N 1 0 329.322 3.288 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](C(C)(C)C)C1 ZINC000542317528 459546762 /nfs/dbraw/zinc/54/67/62/459546762.db2.gz ARAKDWZFQNOMGZ-ZDUSSCGKSA-N 1 0 349.431 3.300 20 5 EGBDRO CC1CC[NH+](C[C@@H]2CCCN(c3ncc([N+](=O)[O-])cc3F)C2)CC1 ZINC000583486820 459547577 /nfs/dbraw/zinc/54/75/77/459547577.db2.gz RJPJOTRLHPUNQS-AWEZNQCLSA-N 1 0 336.411 3.077 20 5 EGBDRO C[C@H]1[C@H]([NH+](C)C)CCN1c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000596243776 459573522 /nfs/dbraw/zinc/57/35/22/459573522.db2.gz JJQZLKFZIXOVTI-SWLSCSKDSA-N 1 0 344.390 3.325 20 5 EGBDRO C[C@@H](CC[NH3+])NC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000592331337 459575399 /nfs/dbraw/zinc/57/53/99/459575399.db2.gz TVVRMTGATXMAJA-NSHDSACASA-N 1 0 337.445 3.097 20 5 EGBDRO CC(C)Cn1nccc1C[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000592366957 459581013 /nfs/dbraw/zinc/58/10/13/459581013.db2.gz HEAHODVYOADFGS-UHFFFAOYSA-N 1 0 336.823 3.433 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000498372768 459587188 /nfs/dbraw/zinc/58/71/88/459587188.db2.gz LBCGNEHSSWYDPD-SFHVURJKSA-N 1 0 347.459 3.390 20 5 EGBDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000572938792 459598698 /nfs/dbraw/zinc/59/86/98/459598698.db2.gz QMGBGUNSNDPTOY-HUUCEWRRSA-N 1 0 335.448 3.325 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2ccc(CN3CC[C@@H]4CC[NH2+][C@H]4C3)o2)c1 ZINC000592432871 459599445 /nfs/dbraw/zinc/59/94/45/459599445.db2.gz ZJVGPRSTZSDLCD-GUYCJALGSA-N 1 0 327.384 3.039 20 5 EGBDRO O=C(CC[NH2+][C@@H]1C[C@H]1c1ccc(F)cc1)Nc1ccccc1[N+](=O)[O-] ZINC000563003997 459691885 /nfs/dbraw/zinc/69/18/85/459691885.db2.gz ZINVUYUVYYEARY-GOEBONIOSA-N 1 0 343.358 3.208 20 5 EGBDRO O=C(CC[N@@H+]1CC[C@H](c2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000501132674 459714331 /nfs/dbraw/zinc/71/43/31/459714331.db2.gz HROAIWIGTXRNPM-INIZCTEOSA-N 1 0 339.395 3.413 20 5 EGBDRO CCC[C@@H]1CN([C@@H](C)c2ccccc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000501802209 459745934 /nfs/dbraw/zinc/74/59/34/459745934.db2.gz DWXHUZCBSJVVNE-JKSUJKDBSA-N 1 0 335.448 3.089 20 5 EGBDRO C[C@H]([NH2+]C1(C2CCC2)CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000593083146 459767926 /nfs/dbraw/zinc/76/79/26/459767926.db2.gz ZKQQAXKXDQYTCJ-JTQLQIEISA-N 1 0 337.807 3.498 20 5 EGBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000574534249 459831542 /nfs/dbraw/zinc/83/15/42/459831542.db2.gz ODQRLLSLRUOSOU-SFHVURJKSA-N 1 0 345.443 3.003 20 5 EGBDRO CCO[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000545456870 459834054 /nfs/dbraw/zinc/83/40/54/459834054.db2.gz YUFSJTJVIOLNPP-PCODUJHASA-N 1 0 348.443 3.090 20 5 EGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000585801381 459851635 /nfs/dbraw/zinc/85/16/35/459851635.db2.gz GPSPJLJTUUIHMS-YPMHNXCESA-N 1 0 328.372 3.406 20 5 EGBDRO C[C@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@]1(C)CO ZINC000597236131 459888685 /nfs/dbraw/zinc/88/86/85/459888685.db2.gz NZMRMOSKWVRWHA-UGSOOPFHSA-N 1 0 330.384 3.305 20 5 EGBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+]2CCC3(CCCCC3)CC2)c1 ZINC000608833239 459888762 /nfs/dbraw/zinc/88/87/62/459888762.db2.gz DCIAOBLEAIJOPA-QGZVFWFLSA-N 1 0 348.443 3.381 20 5 EGBDRO CC(C)[NH2+][C@H]1CCCN(c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000608856055 459890725 /nfs/dbraw/zinc/89/07/25/459890725.db2.gz XWRCLYBUJULMNK-LBPRGKRZSA-N 1 0 342.237 3.324 20 5 EGBDRO CC(C)c1ccc([C@H]([NH3+])CNC(=O)c2c(F)cccc2[N+](=O)[O-])cc1 ZINC000602427385 459933204 /nfs/dbraw/zinc/93/32/04/459933204.db2.gz GJACZXGJIRNFTE-OAHLLOKOSA-N 1 0 345.374 3.287 20 5 EGBDRO COc1cc(OC)c(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])cc1F ZINC000593627693 459937814 /nfs/dbraw/zinc/93/78/14/459937814.db2.gz ZHVDRCXZBLRKTI-UHFFFAOYSA-N 1 0 348.374 3.426 20 5 EGBDRO O=[N+]([O-])c1ccc2[nH]c(CN3CCC[C@H](C[C@H]4CCOC4)C3)nc2c1 ZINC000618296928 459963829 /nfs/dbraw/zinc/96/38/29/459963829.db2.gz AKPHWTOYGMNJLB-ZIAGYGMSSA-N 1 0 344.415 3.110 20 5 EGBDRO C[C@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccccc1 ZINC000602500302 459971377 /nfs/dbraw/zinc/97/13/77/459971377.db2.gz YNKOHISUICMCKI-OAHLLOKOSA-N 1 0 340.427 3.352 20 5 EGBDRO C[C@@H](CNCc1nc2cc([N+](=O)[O-])ccc2o1)[N@@H+]1CCCC[C@H]1C ZINC000602515961 459978936 /nfs/dbraw/zinc/97/89/36/459978936.db2.gz UMTZWXPPUCTNMY-OLZOCXBDSA-N 1 0 332.404 3.089 20 5 EGBDRO CC[C@@H](C)NC(=O)CC[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602520813 459981929 /nfs/dbraw/zinc/98/19/29/459981929.db2.gz MOAFSQPFOCQAQJ-SNVBAGLBSA-N 1 0 347.337 3.008 20 5 EGBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000598663777 459984744 /nfs/dbraw/zinc/98/47/44/459984744.db2.gz GTWOZROGSYEVRH-HNNXBMFYSA-N 1 0 333.432 3.112 20 5 EGBDRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000588821407 459986845 /nfs/dbraw/zinc/98/68/45/459986845.db2.gz GGBKGRKHTBDEON-OAHLLOKOSA-N 1 0 347.459 3.449 20 5 EGBDRO O=[N+]([O-])c1sc(C[NH2+]C[C@H]2CCC[C@@H](O)C2)cc1Br ZINC000602554299 459993776 /nfs/dbraw/zinc/99/37/76/459993776.db2.gz FPWFVOCYXIGZTE-DTWKUNHWSA-N 1 0 349.250 3.060 20 5 EGBDRO CC(C)(C)[C@H]1C[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CCO1 ZINC000602579847 460008072 /nfs/dbraw/zinc/00/80/72/460008072.db2.gz KZEJIZSCYHDBKZ-XHDPSFHLSA-N 1 0 333.388 3.419 20 5 EGBDRO CO[C@H]1CCC[C@H]1C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602584219 460010127 /nfs/dbraw/zinc/01/01/27/460010127.db2.gz YIJAXFGMRJTIPM-KWQFWETISA-N 1 0 349.250 3.324 20 5 EGBDRO C[C@@H]1CC[N@H+](CCNCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602595143 460015821 /nfs/dbraw/zinc/01/58/21/460015821.db2.gz WVJHWWPXHXRMBO-LLVKDONJSA-N 1 0 331.338 3.045 20 5 EGBDRO C[C@H]1OCC[C@]1(C)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602611610 460022428 /nfs/dbraw/zinc/02/24/28/460022428.db2.gz YARDFPHMMWYONY-HQJQHLMTSA-N 1 0 335.223 3.076 20 5 EGBDRO CCOC(=O)c1ccc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000602613277 460022845 /nfs/dbraw/zinc/02/28/45/460022845.db2.gz VWWBQTMUKBKMKR-UHFFFAOYSA-N 1 0 331.372 3.125 20 5 EGBDRO O=[N+]([O-])c1cc(N2CC[C@H]([NH+]3CCCC3)C2)ccc1C(F)(F)F ZINC000589114258 460032696 /nfs/dbraw/zinc/03/26/96/460032696.db2.gz RJEYLGIGLWPGSE-LBPRGKRZSA-N 1 0 329.322 3.288 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCO[C@@H](c3ccncc3)C2)cc1 ZINC000602682663 460063016 /nfs/dbraw/zinc/06/30/16/460063016.db2.gz NZNIPZSQODCSEO-FUHWJXTLSA-N 1 0 327.384 3.042 20 5 EGBDRO CO[C@@H]1C[C@H]([N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)C12CCC2 ZINC000602682850 460063062 /nfs/dbraw/zinc/06/30/62/460063062.db2.gz SLGJHZSDNYSCNW-LSDHHAIUSA-N 1 0 331.372 3.125 20 5 EGBDRO CC(C)[C@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)C(=O)N1CCCC1 ZINC000618571643 460067806 /nfs/dbraw/zinc/06/78/06/460067806.db2.gz FEVQRFQQZCIYOM-ROUUACIJSA-N 1 0 345.443 3.209 20 5 EGBDRO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N[C@@H](C)C[NH+](CC)CC ZINC000610129666 460068568 /nfs/dbraw/zinc/06/85/68/460068568.db2.gz AJRVYUVKDWEZKG-NSHDSACASA-N 1 0 341.383 3.053 20 5 EGBDRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000597856039 460081111 /nfs/dbraw/zinc/08/11/11/460081111.db2.gz VLOYEOBZDXYODX-GFCCVEGCSA-N 1 0 345.399 3.191 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000589375018 460081187 /nfs/dbraw/zinc/08/11/87/460081187.db2.gz JWIGTIMHZUBQEY-UHFFFAOYSA-N 1 0 348.447 3.401 20 5 EGBDRO C[NH2+]CCC1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000598915939 460091667 /nfs/dbraw/zinc/09/16/67/460091667.db2.gz QZJUOEYBQZKEGW-UHFFFAOYSA-N 1 0 340.811 3.102 20 5 EGBDRO Cc1ncc([C@H](C)[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)s1 ZINC000602736968 460098291 /nfs/dbraw/zinc/09/82/91/460098291.db2.gz SPIOSNCLTZSZBS-NSHDSACASA-N 1 0 347.444 3.074 20 5 EGBDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000610281937 460107960 /nfs/dbraw/zinc/10/79/60/460107960.db2.gz DFBWGRJGDYSVMF-INIZCTEOSA-N 1 0 329.375 3.445 20 5 EGBDRO COc1ccc(-c2ccc(C[NH2+][C@H]3C[C@H](OC)C3)o2)c([N+](=O)[O-])c1 ZINC000599016814 460127473 /nfs/dbraw/zinc/12/74/73/460127473.db2.gz SWENXDZSZQBXIL-YEORSEQZSA-N 1 0 332.356 3.130 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+]C1(c2ccc(F)cc2F)CCC1 ZINC000602804968 460136441 /nfs/dbraw/zinc/13/64/41/460136441.db2.gz IMYJEDSPJUERBO-UHFFFAOYSA-N 1 0 336.342 3.047 20 5 EGBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000594198299 460144821 /nfs/dbraw/zinc/14/48/21/460144821.db2.gz GLWLKNRCYKUPIQ-GOEBONIOSA-N 1 0 349.456 3.063 20 5 EGBDRO Cc1c([C@H](C)[NH2+]C[C@H]2CCCN2CC(F)F)cccc1[N+](=O)[O-] ZINC000599064570 460146924 /nfs/dbraw/zinc/14/69/24/460146924.db2.gz CBIMCEHAIDJKQE-QWHCGFSZSA-N 1 0 327.375 3.283 20 5 EGBDRO CC[C@@H](c1ccccc1OC)[N@H+](C)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602834663 460152279 /nfs/dbraw/zinc/15/22/79/460152279.db2.gz VTLURYASPBTFMI-HNNXBMFYSA-N 1 0 332.404 3.191 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CCCN(c2cc[nH+]cc2)CC1 ZINC000602844317 460156213 /nfs/dbraw/zinc/15/62/13/460156213.db2.gz AFXXUZKWAXGVEH-UHFFFAOYSA-N 1 0 346.818 3.356 20 5 EGBDRO CN(CC[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])CC(F)F ZINC000599088152 460157501 /nfs/dbraw/zinc/15/75/01/460157501.db2.gz ARBMNFUCVFXGRU-DZGCQCFKSA-N 1 0 341.402 3.093 20 5 EGBDRO C[C@H](C(=O)Nc1ccccc1C[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000576535394 460162678 /nfs/dbraw/zinc/16/26/78/460162678.db2.gz YPJPYEMVDGDNRA-ZDUSSCGKSA-N 1 0 327.384 3.399 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000610661357 460207181 /nfs/dbraw/zinc/20/71/81/460207181.db2.gz ZQWBSCXHOVIDBA-CYBMUJFWSA-N 1 0 334.420 3.063 20 5 EGBDRO C[C@@H](C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000598219431 460210226 /nfs/dbraw/zinc/21/02/26/460210226.db2.gz LUGORXOCVLKJPH-GDBMZVCRSA-N 1 0 345.443 3.222 20 5 EGBDRO Cc1noc(CN(Cc2ccccc2)C2(CO)CCCC2)c1[N+](=O)[O-] ZINC000599431315 460250987 /nfs/dbraw/zinc/25/09/87/460250987.db2.gz DZJORTXKODWUIP-UHFFFAOYSA-N 1 0 345.399 3.199 20 5 EGBDRO C[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599587018 460281457 /nfs/dbraw/zinc/28/14/57/460281457.db2.gz KIKHNXPOJNVMHQ-CJNGLKHVSA-N 1 0 334.416 3.395 20 5 EGBDRO CN(CCCC[NH+]1CCCCC1)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000603406563 460298687 /nfs/dbraw/zinc/29/86/87/460298687.db2.gz KJCTZEZPZNVUJO-UHFFFAOYSA-N 1 0 337.395 3.072 20 5 EGBDRO CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)C[C@@H]1CCOC1 ZINC000611256585 460319335 /nfs/dbraw/zinc/31/93/35/460319335.db2.gz ICZIELAUEVJDSK-NSHDSACASA-N 1 0 330.331 3.055 20 5 EGBDRO COc1ccccc1[C@@H](CNc1cccnc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000603839005 460345938 /nfs/dbraw/zinc/34/59/38/460345938.db2.gz CVIZTKASOREJTC-MRXNPFEDSA-N 1 0 342.399 3.247 20 5 EGBDRO C[C@H]1CCC[N@H+](CCCCNc2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000603859841 460349339 /nfs/dbraw/zinc/34/93/39/460349339.db2.gz AFNHKWDVLXYDMO-HNNXBMFYSA-N 1 0 342.443 3.489 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCCc2ccc3c(c2)OCCO3)cc1 ZINC000611408365 460358316 /nfs/dbraw/zinc/35/83/16/460358316.db2.gz YHEKGSCVCSOGIK-UHFFFAOYSA-N 1 0 342.395 3.131 20 5 EGBDRO CC(C)(C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000611415323 460359856 /nfs/dbraw/zinc/35/98/56/460359856.db2.gz GRQACOVIRBPBSV-MRXNPFEDSA-N 1 0 340.427 3.454 20 5 EGBDRO CC(C)C([NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C(C)C ZINC000611434052 460364273 /nfs/dbraw/zinc/36/42/73/460364273.db2.gz JLTPJQXUTKUHSB-UHFFFAOYSA-N 1 0 335.404 3.163 20 5 EGBDRO CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])c2ccccc21 ZINC000611442760 460366783 /nfs/dbraw/zinc/36/67/83/460366783.db2.gz XSNUPSKEMYMJSK-INIZCTEOSA-N 1 0 325.368 3.182 20 5 EGBDRO Cc1cc(N2CCC[C@@H]([NH2+]C(C)C)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000611444748 460367700 /nfs/dbraw/zinc/36/77/00/460367700.db2.gz YNZKRIYOZLTAJW-CQSZACIVSA-N 1 0 328.416 3.418 20 5 EGBDRO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)Cc1ccc2c(c1)OCO2 ZINC000604012597 460368864 /nfs/dbraw/zinc/36/88/64/460368864.db2.gz ULDVQSSFJHHZBN-UHFFFAOYSA-N 1 0 344.367 3.224 20 5 EGBDRO CC[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)C[C@H]1C ZINC000619527327 460375199 /nfs/dbraw/zinc/37/51/99/460375199.db2.gz JZSKEFLNZCVEPV-CYBMUJFWSA-N 1 0 344.390 3.326 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C1CCN(c2nccs2)CC1 ZINC000619599545 460393797 /nfs/dbraw/zinc/39/37/97/460393797.db2.gz WPNNOEVEYDGKQR-HYXAFXHYSA-N 1 0 344.440 3.323 20 5 EGBDRO CC(C)[C@@H](C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])c1ccnn1C ZINC000615943332 460433577 /nfs/dbraw/zinc/43/35/77/460433577.db2.gz AQBCJXLRPLGWMK-QKIRZYONSA-N 1 0 328.416 3.371 20 5 EGBDRO O=[N+]([O-])c1ccc(NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)s1 ZINC000617474986 460872555 /nfs/dbraw/zinc/87/25/55/460872555.db2.gz ILRQTWBTHZMATN-HNNXBMFYSA-N 1 0 347.440 3.359 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000341179837 535022766 /nfs/dbraw/zinc/02/27/66/535022766.db2.gz ZOZWVESTKCZRMH-SFHVURJKSA-N 1 0 347.459 3.442 20 5 EGBDRO CC(C)[C@H]1C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CCO1 ZINC000351248235 535236775 /nfs/dbraw/zinc/23/67/75/535236775.db2.gz FTWVSIGKJXESIV-QGZVFWFLSA-N 1 0 345.399 3.149 20 5 EGBDRO CC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)[C@@H](O)c1c(F)cccc1F ZINC000266274040 535806260 /nfs/dbraw/zinc/80/62/60/535806260.db2.gz CPIBKNIJZMBNCA-NVXWUHKLSA-N 1 0 336.338 3.475 20 5 EGBDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1csc([N+](=O)[O-])c1 ZINC000171013960 546995877 /nfs/dbraw/zinc/99/58/77/546995877.db2.gz PCWZKSZLDQCCJW-UHFFFAOYSA-N 1 0 347.440 3.380 20 5 EGBDRO CCN(CC)C(=O)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000726606698 574563666 /nfs/dbraw/zinc/56/36/66/574563666.db2.gz KMULSTXZZNBDQA-UHFFFAOYSA-N 1 0 347.440 3.281 20 5 EGBDRO CC[N@H+](Cn1cc([N+](=O)[O-])cn1)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000743399438 576808414 /nfs/dbraw/zinc/80/84/14/576808414.db2.gz LPSYHJYRKBTOLT-KRWDZBQOSA-N 1 0 334.395 3.477 20 5 EGBDRO CC(C)CNC(=O)C1CC[NH+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000743839267 576816430 /nfs/dbraw/zinc/81/64/30/576816430.db2.gz AONQMDPPQKUGBI-CQSZACIVSA-N 1 0 333.432 3.140 20 5 EGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](N2CCCCC2=O)C1 ZINC000743848588 576816773 /nfs/dbraw/zinc/81/67/73/576816773.db2.gz TZZIFUWWFJNCGR-CABCVRRESA-N 1 0 331.416 3.133 20 5 EGBDRO [NH3+][C@@H]1C[C@H](Nc2ccc(Br)cc2[N+](=O)[O-])C12CCC2 ZINC000404586629 1297757329 /nfs/dbraw/zinc/75/73/29/1297757329.db2.gz URYUWVOPAQWZEA-NEPJUHHUSA-N 1 0 326.194 3.039 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000015129681 1291146968 /nfs/dbraw/zinc/14/69/68/1291146968.db2.gz KWNJRODMSNJPOH-AWEZNQCLSA-N 1 0 342.355 3.189 20 5 EGBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccnc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000056197002 1291808187 /nfs/dbraw/zinc/80/81/87/1291808187.db2.gz AVHQCUINPKPENI-MNOVXSKESA-N 1 0 348.790 3.321 20 5 EGBDRO CC(C)(C)OC(=O)N(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C1CC1 ZINC000066993043 1292138345 /nfs/dbraw/zinc/13/83/45/1292138345.db2.gz JKXSURBFYLZCDI-UHFFFAOYSA-N 1 0 341.433 3.145 20 5 EGBDRO Cc1nn(C[N@H+]2C[C@@H](c3ccc(F)cc3)C[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000076666032 1292435593 /nfs/dbraw/zinc/43/55/93/1292435593.db2.gz MTPMRZIXSRNRHR-NHYWBVRUSA-N 1 0 332.379 3.383 20 5 EGBDRO CC[N@H+](CCSC)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000830999401 1292798564 /nfs/dbraw/zinc/79/85/64/1292798564.db2.gz IKYFVKIZZNANOG-JTQLQIEISA-N 1 0 345.852 3.260 20 5 EGBDRO CCCN(C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C)C1 ZINC000831067827 1292804298 /nfs/dbraw/zinc/80/42/98/1292804298.db2.gz FREPCWBATAZOET-GFCCVEGCSA-N 1 0 340.811 3.196 20 5 EGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@]1(O)CCc2ccccc21 ZINC000090779759 1292805959 /nfs/dbraw/zinc/80/59/59/1292805959.db2.gz WPGTZEFOHLOAPG-QRWLVFNGSA-N 1 0 340.423 3.340 20 5 EGBDRO C[C@H](CNC(=O)OC(C)(C)C)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000090714560 1292806550 /nfs/dbraw/zinc/80/65/50/1292806550.db2.gz BCPQJFUISIDHOA-STQMWFEESA-N 1 0 337.420 3.406 20 5 EGBDRO C[C@H](CNC(=O)OC(C)(C)C)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000090714568 1292806619 /nfs/dbraw/zinc/80/66/19/1292806619.db2.gz BCPQJFUISIDHOA-QWHCGFSZSA-N 1 0 337.420 3.406 20 5 EGBDRO [NH3+][C@@H](CC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)C1CC1 ZINC000831952682 1292939425 /nfs/dbraw/zinc/93/94/25/1292939425.db2.gz MBYMCRNOFZKHKH-KRWDZBQOSA-N 1 0 341.367 3.453 20 5 EGBDRO CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000104221855 1293020839 /nfs/dbraw/zinc/02/08/39/1293020839.db2.gz WPQLYTKXGPCGIG-OAHLLOKOSA-N 1 0 339.823 3.081 20 5 EGBDRO C[C@H](C[NH2+]Cc1csc([N+](=O)[O-])c1)CN(C)C(=O)OC(C)(C)C ZINC000111408435 1293104245 /nfs/dbraw/zinc/10/42/45/1293104245.db2.gz RMGLXFOFPJXSQA-LLVKDONJSA-N 1 0 343.449 3.249 20 5 EGBDRO CC1(C)C[C@@H](C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCO1 ZINC000834909362 1293173188 /nfs/dbraw/zinc/17/31/88/1293173188.db2.gz KSERHWNHXGLMOY-HNNXBMFYSA-N 1 0 347.459 3.358 20 5 EGBDRO CC(C)[C@H](C[NH2+]Cc1csc([N+](=O)[O-])c1)NC(=O)OC(C)(C)C ZINC000115629744 1293192835 /nfs/dbraw/zinc/19/28/35/1293192835.db2.gz ARHHGSUFCHGZKI-LBPRGKRZSA-N 1 0 343.449 3.295 20 5 EGBDRO C[NH+](C)CC[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(C)(C)C ZINC000116131355 1293200763 /nfs/dbraw/zinc/20/07/63/1293200763.db2.gz CKRTXDXHILZLPR-AWEZNQCLSA-N 1 0 341.839 3.344 20 5 EGBDRO Cc1cc(F)cc(C(=O)Nc2cccc(C[NH+](C)C)c2)c1[N+](=O)[O-] ZINC000123162491 1293435915 /nfs/dbraw/zinc/43/59/15/1293435915.db2.gz DXNUTEYTADQCAA-UHFFFAOYSA-N 1 0 331.347 3.356 20 5 EGBDRO CC(C)(C)OC(=O)NCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130311287 1293651517 /nfs/dbraw/zinc/65/15/17/1293651517.db2.gz YKDFTOBVESAMPT-UHFFFAOYSA-N 1 0 335.404 3.084 20 5 EGBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000136616436 1293819445 /nfs/dbraw/zinc/81/94/45/1293819445.db2.gz ZIECHZSHFQKLMJ-VXGBXAGGSA-N 1 0 339.823 3.098 20 5 EGBDRO CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000173348012 1294460346 /nfs/dbraw/zinc/46/03/46/1294460346.db2.gz VCXISSFAUMCSRL-ZFWWWQNUSA-N 1 0 349.431 3.378 20 5 EGBDRO C[C@@H]([NH2+][C@@H](C)c1cccnc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000194721045 1296002162 /nfs/dbraw/zinc/00/21/62/1296002162.db2.gz CUTLQCQJTSOOID-WDEREUQCSA-N 1 0 348.790 3.321 20 5 EGBDRO C[C@H]1OCC[C@]1(C)[NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000230155767 1296161328 /nfs/dbraw/zinc/16/13/28/1296161328.db2.gz TYZGUNGTUSLNMZ-RNCFNFMXSA-N 1 0 329.194 3.014 20 5 EGBDRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000870977819 1296164703 /nfs/dbraw/zinc/16/47/03/1296164703.db2.gz XWSUDYBUZUQFNS-LMKPVCQUSA-N 1 0 345.424 3.070 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CC[C@@H](Cc3ccc(F)cc3)C2)c1 ZINC000246364039 1296350528 /nfs/dbraw/zinc/35/05/28/1296350528.db2.gz XSCIMGQPAUHBTB-KXBFYZLASA-N 1 0 344.386 3.332 20 5 EGBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NCC[NH2+]C1CCCCCC1 ZINC000255539410 1296542758 /nfs/dbraw/zinc/54/27/58/1296542758.db2.gz GLPRVTXNAXTBTD-XFXZXTDPSA-N 1 0 331.416 3.037 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CCc2n[nH]cc2C1 ZINC000872047368 1296696670 /nfs/dbraw/zinc/69/66/70/1296696670.db2.gz AQNMYRNYEVSGLE-PWSUYJOCSA-N 1 0 332.429 3.248 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@](C)(O)C(F)(F)F ZINC000872051572 1296702843 /nfs/dbraw/zinc/70/28/43/1296702843.db2.gz LLAJAYXBVGFWOV-QPUJVOFHSA-N 1 0 338.351 3.281 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CCn2ccnc2C1 ZINC000872063690 1296710503 /nfs/dbraw/zinc/71/05/03/1296710503.db2.gz RZPKKRCBVVZUGK-NEPJUHHUSA-N 1 0 332.429 3.179 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC1([S@](C)=O)CCC1 ZINC000872067579 1296712907 /nfs/dbraw/zinc/71/29/07/1296712907.db2.gz BIWIVZNKDVYLDK-SAHAZLINSA-N 1 0 342.486 3.269 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1ccc(C)n(C)c1=O ZINC000872068088 1296715253 /nfs/dbraw/zinc/71/52/53/1296715253.db2.gz VJQABCGAMSGLKD-LBPRGKRZSA-N 1 0 347.440 3.175 20 5 EGBDRO C[C@]1(CNc2ncc([N+](=O)[O-])s2)CC[N@H+](Cc2ccccc2)C1 ZINC000309860440 1297079085 /nfs/dbraw/zinc/07/90/85/1297079085.db2.gz DATUHZKHFRAJDO-MRXNPFEDSA-N 1 0 332.429 3.375 20 5 EGBDRO CCN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1C)CCC(F)(F)F ZINC000873113451 1297276174 /nfs/dbraw/zinc/27/61/74/1297276174.db2.gz CCKSGERTZMVXJL-UHFFFAOYSA-N 1 0 333.354 3.267 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC1CCN(CC(F)F)CC1 ZINC000873140526 1297295663 /nfs/dbraw/zinc/29/56/63/1297295663.db2.gz PASWAWXPNWMSSK-UHFFFAOYSA-N 1 0 341.402 3.278 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000873976078 1297742451 /nfs/dbraw/zinc/74/24/51/1297742451.db2.gz PAJMEKNPJPKRQP-OAHLLOKOSA-N 1 0 347.440 3.306 20 5 EGBDRO CC(C)C[N@H+](CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C1CCCC1 ZINC000746055835 1298518821 /nfs/dbraw/zinc/51/88/21/1298518821.db2.gz HJZYHJADFIZCBC-UHFFFAOYSA-N 1 0 345.399 3.049 20 5 EGBDRO Cc1ccc(N2CC[NH+](CCc3cccs3)CC2)c([N+](=O)[O-])c1 ZINC000747213292 1298741905 /nfs/dbraw/zinc/74/19/05/1298741905.db2.gz NXIFKUAAFMISGD-UHFFFAOYSA-N 1 0 331.441 3.329 20 5 EGBDRO CCOC(=O)N(C)C1CC[NH+](Cc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000876682972 1298919131 /nfs/dbraw/zinc/91/91/31/1298919131.db2.gz OOKJKXLLMWTDDV-UHFFFAOYSA-N 1 0 349.431 3.264 20 5 EGBDRO O=[N+]([O-])c1sc(C[NH2+]CCOC2CCC2)cc1Br ZINC000877071949 1299144429 /nfs/dbraw/zinc/14/44/29/1299144429.db2.gz VOKGGLCIOVXWJY-UHFFFAOYSA-N 1 0 335.223 3.078 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CC2(c3ccc(F)cc3)CC2)c1 ZINC000749676174 1299253360 /nfs/dbraw/zinc/25/33/60/1299253360.db2.gz LQFUSNPCYFRMJA-QGZVFWFLSA-N 1 0 330.359 3.089 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@@H]2Cc2ccc(F)cc2)c1 ZINC000749691784 1299257225 /nfs/dbraw/zinc/25/72/25/1299257225.db2.gz RYWQALJUVAMFFX-IEBWSBKVSA-N 1 0 344.386 3.474 20 5 EGBDRO O=C1[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CCN1c1cccc(Cl)c1 ZINC000749885593 1299292390 /nfs/dbraw/zinc/29/23/90/1299292390.db2.gz YPHFNCVPSDKQQF-MRXNPFEDSA-N 1 0 345.786 3.143 20 5 EGBDRO CC[N@H+](CCc1ccccc1)Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC000749939259 1299303476 /nfs/dbraw/zinc/30/34/76/1299303476.db2.gz OKUKHLXJBBGZEN-UHFFFAOYSA-N 1 0 339.399 3.170 20 5 EGBDRO COC(C)(C)CC[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000877707892 1299498166 /nfs/dbraw/zinc/49/81/66/1299498166.db2.gz NZYPCGXDNQNFEH-UHFFFAOYSA-N 1 0 337.239 3.324 20 5 EGBDRO C[C@@H]1CCC[C@@H](C)[N@H+](CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)C1 ZINC000752791421 1299795584 /nfs/dbraw/zinc/79/55/84/1299795584.db2.gz FKSOSNRVIUGQSR-HUUCEWRRSA-N 1 0 346.431 3.305 20 5 EGBDRO O=[N+]([O-])c1ccc(C[N@@H+](C[C@@H](O)CC2(O)CCCCC2)C2CC2)cc1 ZINC000878326945 1299920558 /nfs/dbraw/zinc/92/05/58/1299920558.db2.gz UTDDSNXECSHWGE-SFHVURJKSA-N 1 0 348.443 3.005 20 5 EGBDRO CCS[C@H]1CCC[C@@H]1[NH2+]Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878599232 1300100153 /nfs/dbraw/zinc/10/01/53/1300100153.db2.gz INJPFLKCROZHMO-JSGCOSHPSA-N 1 0 348.428 3.409 20 5 EGBDRO Cc1cnc([C@@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C2CC2)s1 ZINC000754409270 1300140441 /nfs/dbraw/zinc/14/04/41/1300140441.db2.gz IXMKAZCQQOAFCG-CABCVRRESA-N 1 0 333.413 3.134 20 5 EGBDRO C[NH+](C)C[C@H]1CCCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000756951057 1300595685 /nfs/dbraw/zinc/59/56/85/1300595685.db2.gz WKIAKXZDMWLFFC-LLVKDONJSA-N 1 0 331.338 3.392 20 5 EGBDRO CC[NH+](CC)CCCNc1cc(Cl)c(C(=O)OC)cc1[N+](=O)[O-] ZINC000757760748 1300725325 /nfs/dbraw/zinc/72/53/25/1300725325.db2.gz UXKCXCYTGUMYKS-UHFFFAOYSA-N 1 0 343.811 3.179 20 5 EGBDRO C[C@H]1CC[N@H+](CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)CC1(C)C ZINC000758994488 1300993659 /nfs/dbraw/zinc/99/36/59/1300993659.db2.gz VCDXQCIJFQQRGY-AWEZNQCLSA-N 1 0 346.431 3.162 20 5 EGBDRO COc1cccc2c1OC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)C2 ZINC000760012389 1301209752 /nfs/dbraw/zinc/20/97/52/1301209752.db2.gz UCXZLVWBMKCRHE-OAHLLOKOSA-N 1 0 328.368 3.005 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+]CCn2cnc3ccccc32)cc1Cl ZINC000761524187 1301489660 /nfs/dbraw/zinc/48/96/60/1301489660.db2.gz XHGHAOMEGBYDCG-UHFFFAOYSA-N 1 0 330.775 3.388 20 5 EGBDRO COc1ccc(C[NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)cc1[N+](=O)[O-] ZINC000762614237 1301713247 /nfs/dbraw/zinc/71/32/47/1301713247.db2.gz LKMKDLPPOZDFOD-KCPJHIHWSA-N 1 0 340.470 3.073 20 5 EGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](O)CC(C)C ZINC000768100055 1302823941 /nfs/dbraw/zinc/82/39/41/1302823941.db2.gz OFYHOSUWEPRKOJ-ZIAGYGMSSA-N 1 0 326.462 3.462 20 5 EGBDRO C[N@H+](CC(=O)N1CCOCC1)Cc1c2ccccc2cc2ccccc21 ZINC000768184061 1302848047 /nfs/dbraw/zinc/84/80/47/1302848047.db2.gz DTJNQVZYZIOGNC-UHFFFAOYSA-N 1 0 348.446 3.284 20 5 EGBDRO CCC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000770004813 1303205818 /nfs/dbraw/zinc/20/58/18/1303205818.db2.gz XSPGOCKISICGLB-NSHDSACASA-N 1 0 340.811 3.102 20 5 EGBDRO O=[N+]([O-])c1ncccc1CN[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000886123005 1303362810 /nfs/dbraw/zinc/36/28/10/1303362810.db2.gz OZLLAWNBEHWUKY-SFHVURJKSA-N 1 0 340.427 3.307 20 5 EGBDRO CN(C)c1ccc(C2CC[NH+](Cc3cccnc3[N+](=O)[O-])CC2)cc1 ZINC000886142553 1303372022 /nfs/dbraw/zinc/37/20/22/1303372022.db2.gz FORFOJFESCJGTE-UHFFFAOYSA-N 1 0 340.427 3.435 20 5 EGBDRO O=[N+]([O-])c1ncccc1CN(CC[NH+]1CCCCCC1)C1CCC1 ZINC000886205975 1303393179 /nfs/dbraw/zinc/39/31/79/1303393179.db2.gz FAQHXQRWWXPFOI-UHFFFAOYSA-N 1 0 332.448 3.220 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCCc3nccs3)CC2)cc1 ZINC000773006198 1303606140 /nfs/dbraw/zinc/60/61/40/1303606140.db2.gz VUCJYHXNDHYXCS-UHFFFAOYSA-N 1 0 346.456 3.243 20 5 EGBDRO CC(C)(C)OC(=O)N1CC([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000774216348 1303787909 /nfs/dbraw/zinc/78/79/09/1303787909.db2.gz FVEWQSOVQFBBFX-MRXNPFEDSA-N 1 0 347.415 3.181 20 5 EGBDRO CC(C)(C)OC(=O)NCCC[NH2+]C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000775063611 1303898127 /nfs/dbraw/zinc/89/81/27/1303898127.db2.gz VHMJPUFSRMYOSP-UHFFFAOYSA-N 1 0 337.420 3.334 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CC2(c3ccc(F)cc3)CC2)cc1 ZINC000776274483 1304125721 /nfs/dbraw/zinc/12/57/21/1304125721.db2.gz DIPPECJMBAWHNH-KRWDZBQOSA-N 1 0 330.359 3.089 20 5 EGBDRO C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCc2ccccc2C1 ZINC000776584283 1304174827 /nfs/dbraw/zinc/17/48/27/1304174827.db2.gz KDPMSAMCWGYMFO-MOPGFXCFSA-N 1 0 326.396 3.118 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCSC[C@H]2c2ccccc2)cc1 ZINC000776582722 1304175141 /nfs/dbraw/zinc/17/51/41/1304175141.db2.gz ATLFMUUPXZHSOQ-ZWKOTPCHSA-N 1 0 344.436 3.418 20 5 EGBDRO COc1ccccc1[C@@H]1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776584311 1304175483 /nfs/dbraw/zinc/17/54/83/1304175483.db2.gz KWXBIFSVHHOJOV-QAPCUYQASA-N 1 0 342.395 3.126 20 5 EGBDRO Cc1cc(C)c2c(c1)C[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000776856807 1304212568 /nfs/dbraw/zinc/21/25/68/1304212568.db2.gz POKZNNCETXHVCH-LJQANCHMSA-N 1 0 326.396 3.303 20 5 EGBDRO COc1c(O)ccc(C[N@@H+]2CC[C@H](c3ccccc3F)C2)c1[N+](=O)[O-] ZINC000891994557 1305224959 /nfs/dbraw/zinc/22/49/59/1305224959.db2.gz CVFCTHIXLKFBMQ-LBPRGKRZSA-N 1 0 346.358 3.438 20 5 EGBDRO CC(C)(C)Oc1cc(NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)ccc1[N+](=O)[O-] ZINC000785797039 1305436478 /nfs/dbraw/zinc/43/64/78/1305436478.db2.gz TZMWJQBCNXJCNM-LSDHHAIUSA-N 1 0 349.431 3.047 20 5 EGBDRO COc1c(O)ccc(C[NH2+]C[C@H](C)c2cccc(F)c2)c1[N+](=O)[O-] ZINC000892745126 1305536230 /nfs/dbraw/zinc/53/62/30/1305536230.db2.gz KRMSWRAULQJYTM-NSHDSACASA-N 1 0 334.347 3.341 20 5 EGBDRO COc1c(O)ccc(C[NH2+]C(C)(C)c2cccc(F)c2)c1[N+](=O)[O-] ZINC000892955280 1305625182 /nfs/dbraw/zinc/62/51/82/1305625182.db2.gz IEARSZVFHNMKST-UHFFFAOYSA-N 1 0 334.347 3.473 20 5 EGBDRO COc1c(O)ccc(C[NH2+]C[C@H](C)Oc2cccc(C)c2)c1[N+](=O)[O-] ZINC000892956642 1305626577 /nfs/dbraw/zinc/62/65/77/1305626577.db2.gz VJQGZQPNUYCCSR-ZDUSSCGKSA-N 1 0 346.383 3.175 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1COC2(CCCC2)O1 ZINC000786820952 1305634776 /nfs/dbraw/zinc/63/47/76/1305634776.db2.gz MZHOESQMNOYNGW-DZXKJOIRSA-N 1 0 332.400 3.273 20 5 EGBDRO COc1ccc(COC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)cc1[N+](=O)[O-] ZINC000786878295 1305646235 /nfs/dbraw/zinc/64/62/35/1305646235.db2.gz JNZSBQKMWOBBBF-HNNXBMFYSA-N 1 0 348.399 3.054 20 5 EGBDRO Cc1cccc(C[NH+]2CCN(Cc3ccc([N+](=O)[O-])c(F)c3)CC2)c1 ZINC000788468846 1305949093 /nfs/dbraw/zinc/94/90/93/1305949093.db2.gz BOIOEHBPFAALQQ-UHFFFAOYSA-N 1 0 343.402 3.360 20 5 EGBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)c1ccc2c[nH+]cn2c1 ZINC000790533801 1306347043 /nfs/dbraw/zinc/34/70/43/1306347043.db2.gz MIBCIHOHGWQXPQ-UHFFFAOYSA-N 1 0 331.715 3.424 20 5 EGBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N2CC[N@@H+](C)CC23CCCCC3)c1F ZINC000790802680 1308866702 /nfs/dbraw/zinc/86/67/02/1308866702.db2.gz QCQBKPUIGLZBAG-UHFFFAOYSA-N 1 0 349.406 3.133 20 5 EGBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N2CC[NH+](C3CCCCC3)CC2)c1F ZINC000790851343 1308874370 /nfs/dbraw/zinc/87/43/70/1308874370.db2.gz SXVSJXKNRASLHH-UHFFFAOYSA-N 1 0 349.406 3.133 20 5 EGBDRO C[C@@H](C[NH+](C)C)[C@@H]1CCCCN1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000895378529 1309307242 /nfs/dbraw/zinc/30/72/42/1309307242.db2.gz IMAMGLCJWHJNRU-BBRMVZONSA-N 1 0 346.431 3.288 20 5 EGBDRO C[C@@H]1CC[N@H+](Cn2c(=O)oc3cccc([N+](=O)[O-])c32)[C@@H]2CCCC[C@H]12 ZINC000794619321 1309557327 /nfs/dbraw/zinc/55/73/27/1309557327.db2.gz IAIBDJUGJAOVKY-MGPQQGTHSA-N 1 0 345.399 3.361 20 5 EGBDRO COC(=O)C1CCC([NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000898610848 1310803845 /nfs/dbraw/zinc/80/38/45/1310803845.db2.gz FMUHLPKQBMUZDC-IUDNXUCKSA-N 1 0 334.416 3.237 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000821120641 1320000549 /nfs/dbraw/zinc/00/05/49/1320000549.db2.gz PXNONGFSGXJYJQ-INIZCTEOSA-N 1 0 347.459 3.309 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](O)Cc2cccc(F)c2)cc1Cl ZINC000824509800 1320262179 /nfs/dbraw/zinc/26/21/79/1320262179.db2.gz ORZIEJOXHVSIHW-AWEZNQCLSA-N 1 0 338.766 3.081 20 5 EGBDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000857327550 1328528882 /nfs/dbraw/zinc/52/88/82/1328528882.db2.gz SVOCEAMPUNGFFS-LBPRGKRZSA-N 1 0 339.823 3.098 20 5 EGBDRO C[NH+](C)[C@@H](CNc1c([N+](=O)[O-])cccc1[N+](=O)[O-])c1ccccc1 ZINC000804322191 1317218180 /nfs/dbraw/zinc/21/81/80/1317218180.db2.gz ZZNIBKNPCWYASI-HNNXBMFYSA-N 1 0 330.344 3.218 20 5 EGBDRO CN(c1ccc(N)cc1[N+](=O)[O-])[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000804529614 1317256056 /nfs/dbraw/zinc/25/60/56/1317256056.db2.gz FINYCJGLFJJUMD-KRWDZBQOSA-N 1 0 340.427 3.278 20 5 EGBDRO [NH3+]C[C@@]12CC[C@@H]1CCN2c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000900453125 1317290078 /nfs/dbraw/zinc/29/00/78/1317290078.db2.gz XNXWFARZGBFPKR-ACJLOTCBSA-N 1 0 342.374 3.114 20 5 EGBDRO CCN(C)C(=O)OC[C@H]1CCCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000805760955 1317419843 /nfs/dbraw/zinc/41/98/43/1317419843.db2.gz MKOOJZUEIXXDFK-MRXNPFEDSA-N 1 0 349.431 3.346 20 5 EGBDRO CCCC(=O)N1CCC(C[N@H+](CC)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000957664809 1317535310 /nfs/dbraw/zinc/53/53/10/1317535310.db2.gz PAJBTMHIWPHYQB-UHFFFAOYSA-N 1 0 347.459 3.455 20 5 EGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1cc(N(C)C)ccn1 ZINC000903200623 1317672418 /nfs/dbraw/zinc/67/24/18/1317672418.db2.gz AGUUCQBEFGEGAI-AWEZNQCLSA-N 1 0 328.416 3.167 20 5 EGBDRO CC(C)(C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)C1CCC1 ZINC001020438280 1317697125 /nfs/dbraw/zinc/69/71/25/1317697125.db2.gz XAVIVZBOTOFOMI-WKILWMFISA-N 1 0 345.443 3.158 20 5 EGBDRO CCCOc1ccc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)cc1 ZINC000809734791 1317882698 /nfs/dbraw/zinc/88/26/98/1317882698.db2.gz LQGWTSRXDKJALA-UHFFFAOYSA-N 1 0 329.400 3.349 20 5 EGBDRO CC(C)(C)c1cnc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)s1 ZINC000809735273 1317883290 /nfs/dbraw/zinc/88/32/90/1317883290.db2.gz YSXVFAXZTMSPQT-UHFFFAOYSA-N 1 0 334.445 3.314 20 5 EGBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)C1(F)CCCCC1 ZINC001020877554 1317978923 /nfs/dbraw/zinc/97/89/23/1317978923.db2.gz BGLPLJOASIHOAZ-SHTZXODSSA-N 1 0 349.406 3.004 20 5 EGBDRO CC(C)CN(Cc1ccccn1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000905745444 1317990402 /nfs/dbraw/zinc/99/04/02/1317990402.db2.gz OIMUQZDBXLRZHW-UHFFFAOYSA-N 1 0 339.399 3.455 20 5 EGBDRO CSc1ccc(C(=O)O[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000810850430 1318065711 /nfs/dbraw/zinc/06/57/11/1318065711.db2.gz DVHJYUCXTOPVJU-QWHCGFSZSA-N 1 0 336.413 3.100 20 5 EGBDRO CSC[C@H](CCO)[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811481346 1318181637 /nfs/dbraw/zinc/18/16/37/1318181637.db2.gz XYAFHXKICGVAML-JTQLQIEISA-N 1 0 339.244 3.105 20 5 EGBDRO C[N@@H+]1CCC[C@@H](CNCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000811480284 1318181733 /nfs/dbraw/zinc/18/17/33/1318181733.db2.gz SMJSAXXUUKKQLX-JTQLQIEISA-N 1 0 332.231 3.333 20 5 EGBDRO CSC1(CNc2cc(Cl)ccc2[N+](=O)[O-])CC[NH+](C)CC1 ZINC000811854105 1318279771 /nfs/dbraw/zinc/27/97/71/1318279771.db2.gz RGDFAKPNJXBAJA-UHFFFAOYSA-N 1 0 329.853 3.488 20 5 EGBDRO CC(C)[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)[C@H](O)C(F)(F)F ZINC000813328113 1318533321 /nfs/dbraw/zinc/53/33/21/1318533321.db2.gz NSOLJTUMHASSOZ-RYUDHWBXSA-N 1 0 340.729 3.286 20 5 EGBDRO O=C(C=C1CCCCC1)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001021880222 1318717636 /nfs/dbraw/zinc/71/76/36/1318717636.db2.gz KQIDPTCWANIJGF-CALCHBBNSA-N 1 0 343.427 3.222 20 5 EGBDRO Cc1cc(C(=O)N2CCCC[C@H]2[C@@H](C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000912815527 1318940977 /nfs/dbraw/zinc/94/09/77/1318940977.db2.gz NBKPNJBVQYIPAW-HOCLYGCPSA-N 1 0 333.432 3.096 20 5 EGBDRO C[C@H]([NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815599148 1319025038 /nfs/dbraw/zinc/02/50/38/1319025038.db2.gz MAZVVTCRAYWLNP-WRESQXIRSA-N 1 0 339.486 3.207 20 5 EGBDRO CC(C)[C@H](C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccnn1C ZINC000815619259 1319030503 /nfs/dbraw/zinc/03/05/03/1319030503.db2.gz HYLOKHALOKOSKN-JSGCOSHPSA-N 1 0 331.420 3.001 20 5 EGBDRO C[C@@H]1C[C@H](CO)CN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000817281731 1319312771 /nfs/dbraw/zinc/31/27/71/1319312771.db2.gz OJDOPBXYVREKCN-ZJUUUORDSA-N 1 0 333.215 3.352 20 5 EGBDRO CCN(CC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1C ZINC000818959116 1319590448 /nfs/dbraw/zinc/59/04/48/1319590448.db2.gz DEFLQQBSTQJOIZ-IBGZPJMESA-N 1 0 343.427 3.053 20 5 EGBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000916067470 1319598289 /nfs/dbraw/zinc/59/82/89/1319598289.db2.gz QXQRUEICNNNEPV-AFGDSCLASA-N 1 0 345.443 3.092 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H](c2ccccc2)[C@@H]2CCCO2)c1 ZINC000819001350 1319609999 /nfs/dbraw/zinc/60/99/99/1319609999.db2.gz LNRGGBSIWBXEOQ-CEXWTWQISA-N 1 0 342.395 3.138 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@@H]2CCc3ccccc3C2)cc1 ZINC000819080417 1319630331 /nfs/dbraw/zinc/63/03/31/1319630331.db2.gz FVYOKQYWWYEVFH-KUHUBIRLSA-N 1 0 326.396 3.023 20 5 EGBDRO COc1ccc([C@H](C)CC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000819101763 1319634664 /nfs/dbraw/zinc/63/46/64/1319634664.db2.gz DKLCZBCHCYLXNS-AUUYWEPGSA-N 1 0 344.411 3.420 20 5 EGBDRO CCCOc1cccc(CC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000819180078 1319659595 /nfs/dbraw/zinc/65/95/95/1319659595.db2.gz SJYCCLJGMWEXBQ-LJQANCHMSA-N 1 0 344.411 3.249 20 5 EGBDRO O=[N+]([O-])c1cccc(CC[NH2+]C[C@@H](O)c2ccc(F)cc2Cl)c1 ZINC000819189613 1319662080 /nfs/dbraw/zinc/66/20/80/1319662080.db2.gz CQAPAYFWMWYTHI-MRXNPFEDSA-N 1 0 338.766 3.253 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H]2CCCOc3cc(F)ccc32)c1 ZINC000819210778 1319669463 /nfs/dbraw/zinc/66/94/63/1319669463.db2.gz KSVVGPVZWWSMGO-SJORKVTESA-N 1 0 346.358 3.271 20 5 EGBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H](O)c2ccccc2)cc(C(F)(F)F)c1 ZINC000819270434 1319685607 /nfs/dbraw/zinc/68/56/07/1319685607.db2.gz YZXLOLCEPLWYBV-HNNXBMFYSA-N 1 0 340.301 3.437 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@@H](c2ccccc2)C2CC2)cc1 ZINC000819329631 1319699637 /nfs/dbraw/zinc/69/96/37/1319699637.db2.gz JRJWADGTONPRRQ-RBUKOAKNSA-N 1 0 326.396 3.412 20 5 EGBDRO C[C@@]1(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1(Cl)Cl ZINC000819346698 1319705152 /nfs/dbraw/zinc/70/51/52/1319705152.db2.gz HOQSJOXQNADQAR-ZDUSSCGKSA-N 1 0 346.214 3.097 20 5 EGBDRO C[C@@]1(CC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1(Cl)Cl ZINC000819350866 1319706993 /nfs/dbraw/zinc/70/69/93/1319706993.db2.gz STMKZGVDWMVSIF-QWHCGFSZSA-N 1 0 333.215 3.192 20 5 EGBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000917075253 1319750988 /nfs/dbraw/zinc/75/09/88/1319750988.db2.gz JTJKORCYWRLBRU-CHWSQXEVSA-N 1 0 336.392 3.283 20 5 EGBDRO C[C@@H](c1ccncc1)[NH+]1CCC(Nc2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000819922848 1319802485 /nfs/dbraw/zinc/80/24/85/1319802485.db2.gz MTHCUWTWVWBYFS-ZDUSSCGKSA-N 1 0 341.415 3.210 20 5 EGBDRO C[C@H]1CSC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Br ZINC000930455008 1328860046 /nfs/dbraw/zinc/86/00/46/1328860046.db2.gz GEPADSZJPXMOAO-QPUJVOFHSA-N 1 0 331.235 3.198 20 5 EGBDRO CC(C)(CCc1noc(CC[C@@H]([NH3+])CC2CCCCC2)n1)[N+](=O)[O-] ZINC000823234958 1320163868 /nfs/dbraw/zinc/16/38/68/1320163868.db2.gz NPENUUJPGOGMDE-CQSZACIVSA-N 1 0 338.452 3.288 20 5 EGBDRO CO[C@H]1COCC[C@H]1C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000824708750 1320279499 /nfs/dbraw/zinc/27/94/99/1320279499.db2.gz IUFSPOGCGPZXTB-ZANVPECISA-N 1 0 349.214 3.043 20 5 EGBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000825877565 1320367786 /nfs/dbraw/zinc/36/77/86/1320367786.db2.gz HLCVQTVURZZJSR-GFCCVEGCSA-N 1 0 339.823 3.161 20 5 EGBDRO COC1CCC([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000839170230 1320883543 /nfs/dbraw/zinc/88/35/43/1320883543.db2.gz XYFKJCRSXJHIDB-UHFFFAOYSA-N 1 0 333.432 3.111 20 5 EGBDRO Cc1nn(C[N@@H+]2CCC[C@]3(CCSC3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000840146621 1321038779 /nfs/dbraw/zinc/03/87/79/1321038779.db2.gz ZAJUEKXTYBLLOR-KRWDZBQOSA-N 1 0 346.456 3.430 20 5 EGBDRO COc1cc(NCc2ccc([N+](=O)[O-])cc2)ccc1OCC[NH+](C)C ZINC000841893285 1321327955 /nfs/dbraw/zinc/32/79/55/1321327955.db2.gz IBXIUQCEAVMJLT-UHFFFAOYSA-N 1 0 345.399 3.156 20 5 EGBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)c1nc([C@@H]2CCC[NH2+]C2)no1 ZINC000842663975 1321414478 /nfs/dbraw/zinc/41/44/78/1321414478.db2.gz PTDLPBXSIDENQV-GHMZBOCLSA-N 1 0 334.401 3.298 20 5 EGBDRO CC(C)[N@@H+]1CCC[C@H](COC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000842831361 1321438486 /nfs/dbraw/zinc/43/84/86/1321438486.db2.gz QNMCAZAVVPRJLD-INIZCTEOSA-N 1 0 334.416 3.191 20 5 EGBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000845544266 1321716989 /nfs/dbraw/zinc/71/69/89/1321716989.db2.gz IUYUCLWIKNFEEK-WDEREUQCSA-N 1 0 327.787 3.450 20 5 EGBDRO O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)c1cc([N+](=O)[O-])ccc1F ZINC000847046619 1321836428 /nfs/dbraw/zinc/83/64/28/1321836428.db2.gz DZUJDOXIOUIIES-OAHLLOKOSA-N 1 0 349.406 3.261 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1cnn(C[N@@H+]2CCC[C@@H]2[C@H]2CCCO2)c1 ZINC000848487846 1321965281 /nfs/dbraw/zinc/96/52/81/1321965281.db2.gz YZSLNGYKLRLXLX-QZTJIDSGSA-N 1 0 342.399 3.059 20 5 EGBDRO C[C@@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000848546873 1321973472 /nfs/dbraw/zinc/97/34/72/1321973472.db2.gz HUBLMKUMJOSFDO-SMDDNHRTSA-N 1 0 335.404 3.085 20 5 EGBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1nc2ccccn2c1[N+](=O)[O-] ZINC000919965365 1322122758 /nfs/dbraw/zinc/12/27/58/1322122758.db2.gz XBVSLKURPWRMOI-MCIONIFRSA-N 1 0 331.420 3.021 20 5 EGBDRO CC(C)[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000920418575 1322174956 /nfs/dbraw/zinc/17/49/56/1322174956.db2.gz NGKPTPOUHQCBPS-CYBMUJFWSA-N 1 0 325.796 3.307 20 5 EGBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2Cl)C[C@H]1C ZINC000859528387 1329008862 /nfs/dbraw/zinc/00/88/62/1329008862.db2.gz OFDHUUKNMWFANJ-NEPJUHHUSA-N 1 0 339.823 3.193 20 5 EGBDRO COc1cc(C[NH2+][C@@H]2C=CCC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000850358248 1322233403 /nfs/dbraw/zinc/23/34/03/1322233403.db2.gz MDTPKJMXQVIVFE-LLVKDONJSA-N 1 0 346.305 3.353 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H](O)c1ccccc1C ZINC000850434720 1322248664 /nfs/dbraw/zinc/24/86/64/1322248664.db2.gz WXWMSRCSUDNJBQ-SUMWQHHRSA-N 1 0 330.384 3.296 20 5 EGBDRO CO[C@@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CCCC1 ZINC000850561253 1322268449 /nfs/dbraw/zinc/26/84/49/1322268449.db2.gz MPAMGTNUROBTRL-IBGZPJMESA-N 1 0 347.459 3.358 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCCO[C@@H]1CCCCO1 ZINC000922232450 1322484091 /nfs/dbraw/zinc/48/40/91/1322484091.db2.gz HZILIFRTYRREQS-QGZVFWFLSA-N 1 0 338.404 3.016 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CC2CC3(C2)OCCO3)o1 ZINC000922799047 1322619860 /nfs/dbraw/zinc/61/98/60/1322619860.db2.gz OCTLVOSXPYWKOU-UHFFFAOYSA-N 1 0 344.367 3.098 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H](C[NH+](CC)CC)C1 ZINC000931494327 1329130569 /nfs/dbraw/zinc/13/05/69/1329130569.db2.gz ILIXCLNALHALAN-CQSZACIVSA-N 1 0 348.447 3.353 20 5 EGBDRO C[C@@H](NC(=O)N1CCC(CC[NH+](C)C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000925228763 1325088015 /nfs/dbraw/zinc/08/80/15/1325088015.db2.gz JLISMMBQFKCRDY-CQSZACIVSA-N 1 0 348.447 3.029 20 5 EGBDRO C[C@@H](NC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C)c1ccc([N+](=O)[O-])cc1 ZINC000925233858 1325088584 /nfs/dbraw/zinc/08/85/84/1325088584.db2.gz IHPLUMLBJSKZOU-ZBFHGGJFSA-N 1 0 348.447 3.172 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]Cc3ccccc3)CC2)c(F)c1 ZINC000853657563 1325142101 /nfs/dbraw/zinc/14/21/01/1325142101.db2.gz UNCVWUIFLHGKHE-UHFFFAOYSA-N 1 0 329.375 3.493 20 5 EGBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000861782757 1329441532 /nfs/dbraw/zinc/44/15/32/1329441532.db2.gz JJRNCNQDRFJSPE-NSHDSACASA-N 1 0 327.812 3.098 20 5 EGBDRO O=[N+]([O-])c1ccc(NC2CC[NH+]([C@@H]3CCOC3)CC2)c(C(F)F)c1 ZINC000865624679 1329721952 /nfs/dbraw/zinc/72/19/52/1329721952.db2.gz OLPLDZJELGXTFQ-CYBMUJFWSA-N 1 0 341.358 3.198 20 5 EGBDRO C[C@@H]([NH2+][C@H](c1ccccn1)C1CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000932376177 1329809449 /nfs/dbraw/zinc/80/94/49/1329809449.db2.gz ISNFWDKEWKXNDM-PXAZEXFGSA-N 1 0 340.383 3.058 20 5 EGBDRO O=C(CC[NH2+][C@H](c1ccccn1)C1CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000932381344 1329810325 /nfs/dbraw/zinc/81/03/25/1329810325.db2.gz NZIKLZQWHBOKCD-SFHVURJKSA-N 1 0 340.383 3.059 20 5 EGBDRO O=[N+]([O-])c1ccc(OCCC[NH2+][C@H](c2ccccn2)C2CC2)cc1 ZINC000932382445 1329810366 /nfs/dbraw/zinc/81/03/66/1329810366.db2.gz SIVHVOVZDORGPS-SFHVURJKSA-N 1 0 327.384 3.500 20 5 EGBDRO Cc1nccn1C[C@@H](C)C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866259077 1330086758 /nfs/dbraw/zinc/08/67/58/1330086758.db2.gz GMVJZWNTUJTLNC-STQMWFEESA-N 1 0 334.395 3.096 20 5 EGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCCNc1ccccn1 ZINC000866282331 1330090484 /nfs/dbraw/zinc/09/04/84/1330090484.db2.gz NCYDEMAUJLLONA-ZDUSSCGKSA-N 1 0 332.379 3.152 20 5 EGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H](CO)c1ccc(F)cc1 ZINC000866297477 1330092464 /nfs/dbraw/zinc/09/24/64/1330092464.db2.gz KBAWAWULDHXHGH-BZNIZROVSA-N 1 0 336.338 3.127 20 5 EGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H](C)[C@@H](O)Cc1ccccc1 ZINC000866310749 1330094454 /nfs/dbraw/zinc/09/44/54/1330094454.db2.gz VVDRTPIBJVFDAM-LPMFXHHGSA-N 1 0 346.402 3.247 20 5 EGBDRO Cc1cc(C)c(CNC(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000867946596 1330231813 /nfs/dbraw/zinc/23/18/13/1330231813.db2.gz JCZGDSFEGFSCKE-LJQANCHMSA-N 1 0 341.411 3.010 20 5 EGBDRO CC(C)C(=O)N1CCC2(CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC001035158654 1342975889 /nfs/dbraw/zinc/97/58/89/1342975889.db2.gz QYILSXSGAWBZLY-UHFFFAOYSA-N 1 0 345.443 3.065 20 5 EGBDRO C[N@@H+]1CCC[C@H](Oc2ccc([N+](=O)[O-])c(Br)c2)CC1 ZINC001229080527 1375758735 /nfs/dbraw/zinc/75/87/35/1375758735.db2.gz GHFRSXHAKHAPKG-JTQLQIEISA-N 1 0 329.194 3.220 20 5 EGBDRO CC1(C)CC(C(=O)NC[C@H]2C[C@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)C1 ZINC001086357615 1359076064 /nfs/dbraw/zinc/07/60/64/1359076064.db2.gz RUMZFBGVMQLXJW-KOMQPUFPSA-N 1 0 345.443 3.015 20 5 EGBDRO CN(CCC(F)(F)F)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC001323530363 1387382922 /nfs/dbraw/zinc/38/29/22/1387382922.db2.gz PDAZHZGFLPOHRY-UHFFFAOYSA-N 1 0 328.294 3.300 20 5 EGBDRO CC/C(C)=C\C(=O)N1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001200414749 1369362904 /nfs/dbraw/zinc/36/29/04/1369362904.db2.gz JVGAMWKQGOTVKT-OWBHPGMISA-N 1 0 331.416 3.032 20 5 EGBDRO CC(C)CCC(=O)N1CCC(C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001204436795 1370476845 /nfs/dbraw/zinc/47/68/45/1370476845.db2.gz LKXPLJKZLYTDBO-UHFFFAOYSA-N 1 0 347.459 3.359 20 5 EGBDRO CS[C@H]1CC[C@H]([N@H+](C)Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC001116145752 1370846602 /nfs/dbraw/zinc/84/66/02/1370846602.db2.gz LNEISYAVBXTUHS-ZFWWWQNUSA-N 1 0 347.444 3.027 20 5 EGBDRO CCC[C@H]([NH2+]Cc1c(C)c(C)n[nH]c1=O)c1cccc([N+](=O)[O-])c1 ZINC001116467242 1370918392 /nfs/dbraw/zinc/91/83/92/1370918392.db2.gz WXZZBHXADMSTLS-INIZCTEOSA-N 1 0 330.388 3.338 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(C[N@H+]2C[C@H]3[C@H](CO)[C@H]3C2)o1 ZINC001117687689 1371064096 /nfs/dbraw/zinc/06/40/96/1371064096.db2.gz VNTHJTRUSCZXOH-FICVDOATSA-N 1 0 348.786 3.178 20 5 EGBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC([NH3+])(CC)CC1 ZINC001119375865 1371324734 /nfs/dbraw/zinc/32/47/34/1371324734.db2.gz YLLFCISRZGRRCC-UHFFFAOYSA-N 1 0 337.445 3.050 20 5 EGBDRO CCN(CCC[NH+]1CCCC1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001119386228 1371328909 /nfs/dbraw/zinc/32/89/09/1371328909.db2.gz GIARBZTXCNCJTM-UHFFFAOYSA-N 1 0 338.383 3.074 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)c1C ZINC001119452341 1371346459 /nfs/dbraw/zinc/34/64/59/1371346459.db2.gz JTLWGAPRGVOEMZ-CYBMUJFWSA-N 1 0 347.459 3.452 20 5 EGBDRO COc1c(O)ccc(C[N@H+](C)[C@H]2CC[C@H](SC)C2)c1[N+](=O)[O-] ZINC001120017907 1371457583 /nfs/dbraw/zinc/45/75/83/1371457583.db2.gz JDQQKZXUBDVQQO-RYUDHWBXSA-N 1 0 326.418 3.025 20 5 EGBDRO CC(C)[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccn1 ZINC001120467321 1371586114 /nfs/dbraw/zinc/58/61/14/1371586114.db2.gz JKOQQYKKHFHUNI-SFHVURJKSA-N 1 0 342.399 3.305 20 5 EGBDRO C[NH+]1CCN(c2ccc(F)cc2Nc2ccc(F)c([N+](=O)[O-])c2)CC1 ZINC001211193150 1372497836 /nfs/dbraw/zinc/49/78/36/1372497836.db2.gz HZBUYOPWCNULKM-UHFFFAOYSA-N 1 0 348.353 3.368 20 5 EGBDRO O=c1c2ccc(O)cc2oc2cc(O[C@H]3CCC[NH2+]C[C@@H]3F)ccc12 ZINC001217952613 1373517669 /nfs/dbraw/zinc/51/76/69/1373517669.db2.gz VHUDVMKGIZRAHM-HOTGVXAUSA-N 1 0 343.354 3.121 20 5 EGBDRO O=[N+]([O-])c1cc([N+](=O)[O-])c(O[C@H]2CCC[NH2+]C[C@@H]2F)c2ccccc21 ZINC001217953664 1373518221 /nfs/dbraw/zinc/51/82/21/1373518221.db2.gz YXTZWOPUKPNOQW-WFASDCNBSA-N 1 0 349.318 3.125 20 5 EGBDRO Cc1cc(O[C@@H]2CCCC[NH2+]C2)c([N+](=O)[O-])cc1Br ZINC001217970100 1373521605 /nfs/dbraw/zinc/52/16/05/1373521605.db2.gz HZWXNTZGCLRDAW-SNVBAGLBSA-N 1 0 329.194 3.187 20 5 EGBDRO O=c1c2ccc(O)cc2oc2cc(O[C@@H]3C[NH2+]CCC[C@@H]3F)ccc12 ZINC001217980064 1373524678 /nfs/dbraw/zinc/52/46/78/1373524678.db2.gz IUGFNCQQAFACBO-MAUKXSAKSA-N 1 0 343.354 3.121 20 5 EGBDRO C[C@H]1C[NH2+]CCC[C@H]1Oc1cc(Br)ccc1[N+](=O)[O-] ZINC001217986334 1373527402 /nfs/dbraw/zinc/52/74/02/1373527402.db2.gz LGOJBPRFXXNIST-JOYOIKCWSA-N 1 0 329.194 3.124 20 5 EGBDRO C[C@H]1C[NH2+]CCC[C@@H]1Oc1cc([N+](=O)[O-])c(Br)cc1F ZINC001217988840 1373528187 /nfs/dbraw/zinc/52/81/87/1373528187.db2.gz LOSORGUTYJHIHT-UFBFGSQYSA-N 1 0 347.184 3.263 20 5 EGBDRO C[C@@H](Oc1cc(F)c(Br)cc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC001218002531 1373531606 /nfs/dbraw/zinc/53/16/06/1373531606.db2.gz HIQJHSJBDZHLJD-MRVPVSSYSA-N 1 0 347.184 3.263 20 5 EGBDRO C[C@H](Oc1cccc([N+](=O)[O-])c1Br)C1CC[NH2+]CC1 ZINC001218002965 1373532212 /nfs/dbraw/zinc/53/22/12/1373532212.db2.gz WHIMAYJFCGJZLR-VIFPVBQESA-N 1 0 329.194 3.124 20 5 EGBDRO O=[N+]([O-])c1cccc(O[C@H]2CCC[C@]23CC[NH2+]C3)c1Br ZINC001218090696 1373558233 /nfs/dbraw/zinc/55/82/33/1373558233.db2.gz CGIPIWSHNFEVFX-GXTWGEPZSA-N 1 0 341.205 3.268 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(O[C@H]3CSC4(C[NH2+]C4)C3)cc2)cc1 ZINC001218098773 1373559912 /nfs/dbraw/zinc/55/99/12/1373559912.db2.gz RDQFSBIDKLNQSJ-QGZVFWFLSA-N 1 0 342.420 3.488 20 5 EGBDRO CC1(C)C[NH2+]CC[C@@H]1Oc1c(F)cc(Br)cc1[N+](=O)[O-] ZINC001218311645 1373592809 /nfs/dbraw/zinc/59/28/09/1373592809.db2.gz NMGFNJQTYOIIAD-NSHDSACASA-N 1 0 347.184 3.263 20 5 EGBDRO CCC(=O)[C@H]1C[C@@H](Oc2ccc(-c3cccc([N+](=O)[O-])c3)cc2)C[NH2+]1 ZINC001218328964 1373597810 /nfs/dbraw/zinc/59/78/10/1373597810.db2.gz XWMLLAHNLVLBFI-QZTJIDSGSA-N 1 0 340.379 3.350 20 5 EGBDRO C[C@@H](Oc1cccc(N2CC[NH2+]CC2)c1)c1cccc([N+](=O)[O-])c1 ZINC001218344031 1373600670 /nfs/dbraw/zinc/60/06/70/1373600670.db2.gz OLCDXDWKQVOJFB-CQSZACIVSA-N 1 0 327.384 3.144 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2ccc(OCCO[C@H]3CC[NH2+]C3)cc2)c1 ZINC001218391906 1373605663 /nfs/dbraw/zinc/60/56/63/1373605663.db2.gz BMZINGSMKWVYFK-SFHVURJKSA-N 1 0 328.368 3.019 20 5 EGBDRO C[C@H]1CC[C@@H](Oc2c(Br)cc(F)cc2[N+](=O)[O-])C[NH2+]1 ZINC001218396699 1373606294 /nfs/dbraw/zinc/60/62/94/1373606294.db2.gz ALZBJORDYALMFV-IONNQARKSA-N 1 0 333.157 3.016 20 5 EGBDRO C[C@H]1CC[C@H](Oc2c(Br)cc(F)cc2[N+](=O)[O-])C[NH2+]1 ZINC001218396696 1373606701 /nfs/dbraw/zinc/60/67/01/1373606701.db2.gz ALZBJORDYALMFV-CBAPKCEASA-N 1 0 333.157 3.016 20 5 EGBDRO O=[N+]([O-])c1cc(F)c(O[C@@H]2C[NH2+]CCC23CC3)c(Br)c1 ZINC001218403023 1373608122 /nfs/dbraw/zinc/60/81/22/1373608122.db2.gz HKRDBJBISBKZGM-LLVKDONJSA-N 1 0 345.168 3.017 20 5 EGBDRO Cc1cc(O[C@H]2C[NH2+]CCC23CC3)c([N+](=O)[O-])cc1Br ZINC001218406646 1373608896 /nfs/dbraw/zinc/60/88/96/1373608896.db2.gz VOSXIIDTPCRGHY-ZDUSSCGKSA-N 1 0 341.205 3.187 20 5 EGBDRO Cc1cc(O[C@@H]2CC[C@H]3C[NH2+]C[C@H]32)c([N+](=O)[O-])cc1Br ZINC001218475596 1373621323 /nfs/dbraw/zinc/62/13/23/1373621323.db2.gz ZAAXDIPTAUTOIU-OPQQBVKSSA-N 1 0 341.205 3.043 20 5 EGBDRO CC(=O)c1cc(C)cc([N+](=O)[O-])c1O[C@@H]1C[NH2+]Cc2ccccc21 ZINC001218487221 1373623844 /nfs/dbraw/zinc/62/38/44/1373623844.db2.gz NJOMPSIONPDARG-QGZVFWFLSA-N 1 0 326.352 3.329 20 5 EGBDRO CC(C)CC1(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCC1 ZINC001131142179 1373650943 /nfs/dbraw/zinc/65/09/43/1373650943.db2.gz UPXXJQIGNHFMNA-UHFFFAOYSA-N 1 0 333.432 3.017 20 5 EGBDRO [NH3+]CC1CCC(C(=O)Nc2cc3cccnc3c3ncccc23)CC1 ZINC001218979990 1373674166 /nfs/dbraw/zinc/67/41/66/1373674166.db2.gz OCWCPFYFLAZNLI-UHFFFAOYSA-N 1 0 334.423 3.487 20 5 EGBDRO Cc1cncc([N+](=O)[O-])c1NCC1CC[NH+](Cc2ccccc2)CC1 ZINC001326698890 1388284810 /nfs/dbraw/zinc/28/48/10/1388284810.db2.gz QRRRHBXWKSUFHQ-UHFFFAOYSA-N 1 0 340.427 3.044 20 5 EGBDRO O=[N+]([O-])c1ncccc1O[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001225630844 1375135886 /nfs/dbraw/zinc/13/58/86/1375135886.db2.gz AJZVKHOTLVFPJS-GVDBMIGSSA-N 1 0 339.395 3.279 20 5 EGBDRO CCN1CCC[C@H](Oc2cc([N+](=O)[O-])c(F)cc2Br)C1 ZINC001225754507 1375153005 /nfs/dbraw/zinc/15/30/05/1375153005.db2.gz YXEZBHUUNMDBOE-VIFPVBQESA-N 1 0 347.184 3.360 20 5 EGBDRO COCCC[NH+]1CCC(Oc2cccc([N+](=O)[O-])c2Cl)CC1 ZINC001225789545 1375155807 /nfs/dbraw/zinc/15/58/07/1375155807.db2.gz SYTPZJIDKMIDDS-UHFFFAOYSA-N 1 0 328.796 3.128 20 5 EGBDRO C[C@@H](c1ccccn1)N1CC[C@@H](Oc2cccc([N+](=O)[O-])c2F)C1 ZINC001225796389 1375156554 /nfs/dbraw/zinc/15/65/54/1375156554.db2.gz KUJIJHWJAQKVPH-QWHCGFSZSA-N 1 0 331.347 3.343 20 5 EGBDRO C[C@@H](c1ccccn1)N1CC[C@@H](Oc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC001226258859 1375229065 /nfs/dbraw/zinc/22/90/65/1375229065.db2.gz QKYLPYARWPSGEY-WCQYABFASA-N 1 0 348.790 3.253 20 5 EGBDRO CC/C=C(\C)C(=O)NC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001226360773 1375245736 /nfs/dbraw/zinc/24/57/36/1375245736.db2.gz IOWWBGZFTOQCNW-MKMNVTDBSA-N 1 0 331.416 3.032 20 5 EGBDRO O=[N+]([O-])c1cc(F)c(OC2CCN(c3cc[nH+]cc3)CC2)c(F)c1 ZINC001226745188 1375324077 /nfs/dbraw/zinc/32/40/77/1375324077.db2.gz ZUUCWSPQUVBGPB-UHFFFAOYSA-N 1 0 335.310 3.316 20 5 EGBDRO COc1cccc([N+](=O)[O-])c1OC1CCN(c2cc[nH+]cc2)CC1 ZINC001227701631 1375463068 /nfs/dbraw/zinc/46/30/68/1375463068.db2.gz NXEAQAODAVGIEC-UHFFFAOYSA-N 1 0 329.356 3.046 20 5 EGBDRO CC(C)[N@@H+]1CC[C@@H](Oc2cc([N+](=O)[O-])c(Br)cc2F)C1 ZINC001228942876 1375722859 /nfs/dbraw/zinc/72/28/59/1375722859.db2.gz WXYYRWOALOULEN-SECBINFHSA-N 1 0 347.184 3.358 20 5 EGBDRO O=[N+]([O-])c1ccc(O)c(O[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC001229397285 1375828378 /nfs/dbraw/zinc/82/83/78/1375828378.db2.gz GUCJHFNCGJCFMK-INIZCTEOSA-N 1 0 328.368 3.344 20 5 EGBDRO O=[N+]([O-])c1cccc([N+](=O)[O-])c1O[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001230311923 1375992815 /nfs/dbraw/zinc/99/28/15/1375992815.db2.gz BLMIRHBMQVOTLF-CQSZACIVSA-N 1 0 343.339 3.156 20 5 EGBDRO Cc1cc(Br)cc([N+](=O)[O-])c1O[C@H]1CCC[N@@H+](C)C1 ZINC001230938625 1376184053 /nfs/dbraw/zinc/18/40/53/1376184053.db2.gz OHKQQMBUIOSBDZ-NSHDSACASA-N 1 0 329.194 3.139 20 5 EGBDRO CC(C)[C@H]1CC[C@H](C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001135734092 1377196875 /nfs/dbraw/zinc/19/68/75/1377196875.db2.gz MYHFAUSJEQYRFY-QAQDUYKDSA-N 1 0 347.459 3.263 20 5 EGBDRO O=C(Nc1cc2cccnc2c2ncccc12)[C@@H]1CC2CC[NH+]1CC2 ZINC001142633416 1378465954 /nfs/dbraw/zinc/46/59/54/1378465954.db2.gz VQGYZGLYNQTBRB-KRWDZBQOSA-N 1 0 332.407 3.206 20 5 EGBDRO CC[NH+](CC)C1CCN(C(=O)c2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC001327599584 1388565828 /nfs/dbraw/zinc/56/58/28/1388565828.db2.gz WUNKWFLJVKRDND-UHFFFAOYSA-N 1 0 333.432 3.158 20 5 EGBDRO CC(C)[N@@H+]1CC[C@H](CNc2ncnc3c(Cl)cc([N+](=O)[O-])cc23)C1 ZINC001327643276 1388572059 /nfs/dbraw/zinc/57/20/59/1388572059.db2.gz QDGDIDKTASKANP-LLVKDONJSA-N 1 0 349.822 3.334 20 5 EGBDRO CC[NH+]1CCC(C(=O)n2c3ccccc3cc3c(=O)c(N)ccc2-3)CC1 ZINC001146787018 1378918758 /nfs/dbraw/zinc/91/87/58/1378918758.db2.gz PGWBBRGTWAAQTJ-UHFFFAOYSA-N 1 0 349.434 3.061 20 5 EGBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1sccc1C1CC1 ZINC001150033945 1379486978 /nfs/dbraw/zinc/48/69/78/1379486978.db2.gz FAIWKIWQSFBAFI-UHFFFAOYSA-N 1 0 345.424 3.053 20 5 EGBDRO CCCCCC(C)(C)C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001151862961 1379802186 /nfs/dbraw/zinc/80/21/86/1379802186.db2.gz AYDHZWJKOOAUEH-UHFFFAOYSA-N 1 0 335.448 3.407 20 5 EGBDRO O=C(C=C1CCCCC1)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001155324416 1380437124 /nfs/dbraw/zinc/43/71/24/1380437124.db2.gz RLHZYQLAPIZMFC-UHFFFAOYSA-N 1 0 337.445 3.143 20 5 EGBDRO c1cnc2c(c1)ccc1ccc(N[C@H]3CCO[C@]4(CC[NH2+]C4)C3)nc12 ZINC001155617468 1380474495 /nfs/dbraw/zinc/47/44/95/1380474495.db2.gz IUTOCBUUZDYFHY-OXJNMPFZSA-N 1 0 334.423 3.106 20 5 EGBDRO C[C@@H]1[C@@H]([NH3+])CCCN1c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)nn1 ZINC001157743682 1381019798 /nfs/dbraw/zinc/01/97/98/1381019798.db2.gz DIZZJCUFLIQFGB-MFKMUULPSA-N 1 0 347.806 3.021 20 5 EGBDRO CC(C)N(c1nc2ccccc2c(Cl)c1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC001158025040 1381106089 /nfs/dbraw/zinc/10/60/89/1381106089.db2.gz CQMVWGKOEZBABF-NSHDSACASA-N 1 0 334.807 3.373 20 5 EGBDRO CCN(c1cc(Cl)nc2ccc([N+](=O)[O-])cc21)[C@@H]1CCC[NH2+]C1 ZINC001158204169 1381158179 /nfs/dbraw/zinc/15/81/79/1381158179.db2.gz FJOMTRXRUDCMTL-GFCCVEGCSA-N 1 0 334.807 3.375 20 5 EGBDRO CC1(C)C[C@H](Nc2ncnc3cc([N+](=O)[O-])ccc32)C[C@](C)(C[NH3+])C1 ZINC001158264511 1381177388 /nfs/dbraw/zinc/17/73/88/1381177388.db2.gz CFRARVIDCRRQSJ-SGTLLEGYSA-N 1 0 343.431 3.494 20 5 EGBDRO CC[N@@H+]1CCN(C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)C(C)(C)C1 ZINC001158563064 1381301165 /nfs/dbraw/zinc/30/11/65/1381301165.db2.gz URWQVXIJYGQTCY-UHFFFAOYSA-N 1 0 348.781 3.109 20 5 EGBDRO O=C(NCCC1=CC[N@H+](Cc2cccc([N+](=O)[O-])c2)CC1)C1CCC1 ZINC001159088449 1381577164 /nfs/dbraw/zinc/57/71/64/1381577164.db2.gz AKYCEXPAADEFAM-UHFFFAOYSA-N 1 0 343.427 3.033 20 5 EGBDRO Nc1cc2nc3ccccc3nc2cc1Nc1cccc(OCC[NH3+])c1 ZINC001159523458 1381816482 /nfs/dbraw/zinc/81/64/82/1381816482.db2.gz MTEGSXDKECOHQM-UHFFFAOYSA-N 1 0 345.406 3.446 20 5 EGBDRO Nc1ccc(Nc2ccc(O[C@H]3CCC[NH2+]C3)cc2)cc1[N+](=O)[O-] ZINC001159947774 1381946379 /nfs/dbraw/zinc/94/63/79/1381946379.db2.gz AZHYMPMEVXYMFJ-HNNXBMFYSA-N 1 0 328.372 3.051 20 5 EGBDRO O=[N+]([O-])c1cc(O)cc(Nc2ccc(O[C@H]3CCC[NH2+]C3)cc2)c1 ZINC001159949487 1381947207 /nfs/dbraw/zinc/94/72/07/1381947207.db2.gz PKLOODBBUIDVOE-KRWDZBQOSA-N 1 0 329.356 3.175 20 5 EGBDRO [NH3+][C@@H]1CCCN(c2ccc(Nc3cccc([N+](=O)[O-])c3F)cc2)C1 ZINC001159982690 1381958626 /nfs/dbraw/zinc/95/86/26/1381958626.db2.gz VRIQFVQPLJJOTJ-GFCCVEGCSA-N 1 0 330.363 3.405 20 5 EGBDRO Cc1ccc(Nc2cc(F)ccc2N2CC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC001160055801 1381984198 /nfs/dbraw/zinc/98/41/98/1381984198.db2.gz HKMDSCJZKXDAPG-CYBMUJFWSA-N 1 0 330.363 3.323 20 5 EGBDRO COc1ccc(Nc2cc(F)ccc2N2CC[C@@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC001160056528 1381984339 /nfs/dbraw/zinc/98/43/39/1381984339.db2.gz FLFGAKDLIWMMRJ-GFCCVEGCSA-N 1 0 346.362 3.024 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1Nc1c(F)cccc1N1CC[NH2+]CC1 ZINC001160058234 1381985997 /nfs/dbraw/zinc/98/59/97/1381985997.db2.gz XTRPHTFSBHYBHD-UHFFFAOYSA-N 1 0 330.363 3.196 20 5 EGBDRO O=[N+]([O-])c1ccc(Nc2cccc3c2[C@@H]2C[NH2+]C[C@@H]2O3)c(Cl)c1 ZINC001160397409 1382093576 /nfs/dbraw/zinc/09/35/76/1382093576.db2.gz HDMPOLWZNQBVNZ-BMIGLBTASA-N 1 0 331.759 3.440 20 5 EGBDRO O=[N+]([O-])c1ccc(F)c(Nc2cccc3c2[C@@H]2C[NH2+]C[C@@H]2O3)c1F ZINC001160400086 1382093984 /nfs/dbraw/zinc/09/39/84/1382093984.db2.gz PMXLEMFVRVNTGX-OQPBUACISA-N 1 0 333.294 3.064 20 5 EGBDRO O=[N+]([O-])c1cccc2ccc(N[C@H]3CC[NH2+]C[C@@H]3C(F)(F)F)nc21 ZINC001160740514 1382183869 /nfs/dbraw/zinc/18/38/69/1382183869.db2.gz OTAGGNGLIATJMK-QWRGUYRKSA-N 1 0 340.305 3.095 20 5 EGBDRO COc1nc(-n2cc(C(C)(C)C[NH3+])c3ccccc32)ccc1[N+](=O)[O-] ZINC001160842899 1382214138 /nfs/dbraw/zinc/21/41/38/1382214138.db2.gz LFKCTMHIGSIEEB-UHFFFAOYSA-N 1 0 340.383 3.179 20 5 EGBDRO [NH3+]Cc1ccccc1CNc1nc(Cl)nc2ccc([N+](=O)[O-])cc21 ZINC001160905667 1382230555 /nfs/dbraw/zinc/23/05/55/1382230555.db2.gz AZVAAMPUUBSAOE-UHFFFAOYSA-N 1 0 343.774 3.262 20 5 EGBDRO Cc1nc(NC2CC[NH+](Cc3ccc(O)cc3)CC2)ccc1[N+](=O)[O-] ZINC001161129277 1382312228 /nfs/dbraw/zinc/31/22/28/1382312228.db2.gz BXLVKCOKIDKFOM-UHFFFAOYSA-N 1 0 342.399 3.080 20 5 EGBDRO O=[N+]([O-])c1cc(N[C@H]2CC[N@@H+](C3CCC3)C2)c2ncnc(Cl)c2c1 ZINC001161183017 1382330327 /nfs/dbraw/zinc/33/03/27/1382330327.db2.gz NLDDZEPMJADDTQ-JTQLQIEISA-N 1 0 347.806 3.230 20 5 EGBDRO [NH3+]CCN(c1ccc(F)cc1)c1nccc2ccc([N+](=O)[O-])cc21 ZINC001161880362 1382537624 /nfs/dbraw/zinc/53/76/24/1382537624.db2.gz HPKHVPFYVQQYOW-UHFFFAOYSA-N 1 0 326.331 3.379 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(N(CC[NH3+])c2cccc3ccccc32)n1 ZINC001161999770 1382595019 /nfs/dbraw/zinc/59/50/19/1382595019.db2.gz QIHQWAABVZCLMV-UHFFFAOYSA-N 1 0 338.367 3.248 20 5 EGBDRO O=[N+]([O-])c1cccc2c(N[C@@H]3C[NH2+]Cc4ccsc43)ccnc21 ZINC001163229755 1383000179 /nfs/dbraw/zinc/00/01/79/1383000179.db2.gz KYUWRNHAOBEUNW-CYBMUJFWSA-N 1 0 326.381 3.461 20 5 EGBDRO O=[N+]([O-])c1c(N[C@@H]2C[NH2+]Cc3ccsc32)ccc2cnccc21 ZINC001163229993 1383000291 /nfs/dbraw/zinc/00/02/91/1383000291.db2.gz SPVCJXDNVUFREH-CQSZACIVSA-N 1 0 326.381 3.461 20 5 EGBDRO c1ccc2cc3c(cc2c1)ncnc3NC[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001163277869 1383012111 /nfs/dbraw/zinc/01/21/11/1383012111.db2.gz HPDATEBUHDWFOU-QVKFZJNVSA-N 1 0 348.450 3.354 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@@H]2CCO[C@@]3(CC[NH2+]C3)C2)c2ccccc21 ZINC001163329148 1383023490 /nfs/dbraw/zinc/02/34/90/1383023490.db2.gz XIEVLTZIKPCMTO-ACJLOTCBSA-N 1 0 327.384 3.071 20 5 EGBDRO Cc1cnc(-n2c3ccccc3nc2C2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC001163758649 1383118907 /nfs/dbraw/zinc/11/89/07/1383118907.db2.gz MRPZBPYPTDUCCT-UHFFFAOYSA-N 1 0 337.383 3.104 20 5 EGBDRO C[NH+](C)Cc1cccc(CNc2ncc3cccc([N+](=O)[O-])c3n2)c1 ZINC001163994384 1383144387 /nfs/dbraw/zinc/14/43/87/1383144387.db2.gz WIJYWZJTGXGRBX-UHFFFAOYSA-N 1 0 337.383 3.212 20 5 EGBDRO CC(C)=C(F)C(=O)NCCC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001164070641 1383152855 /nfs/dbraw/zinc/15/28/55/1383152855.db2.gz MAGJCRKRWZFWNA-UHFFFAOYSA-N 1 0 349.406 3.234 20 5 EGBDRO O=[N+]([O-])c1ccc2nc(Cl)cc(N3CC[C@@]4(C3)CCC[NH2+]C4)c2c1 ZINC001165242692 1383256749 /nfs/dbraw/zinc/25/67/49/1383256749.db2.gz JFEQAMBVBYTTRN-KRWDZBQOSA-N 1 0 346.818 3.376 20 5 EGBDRO O=[N+]([O-])c1cnc(N2CCCCC23CC[NH2+]CC3)c2ccccc21 ZINC001165334062 1383276269 /nfs/dbraw/zinc/27/62/69/1383276269.db2.gz DZBNYFAIHCBVRG-UHFFFAOYSA-N 1 0 326.400 3.256 20 5 EGBDRO [NH3+]C1([C@H]2CN(c3ccc4ccc5cccnc5c4n3)C[C@H]2CF)CC1 ZINC001165430839 1383295140 /nfs/dbraw/zinc/29/51/40/1383295140.db2.gz OBTIHNSPSOTYFD-CVEARBPZSA-N 1 0 336.414 3.296 20 5 EGBDRO CCOC(=O)c1cccc([N+](=O)[O-])c1NCC1CC[NH+](C(C)C)CC1 ZINC001166623282 1383448786 /nfs/dbraw/zinc/44/87/86/1383448786.db2.gz OJCDWKASTOPACZ-UHFFFAOYSA-N 1 0 349.431 3.304 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)cnc1-n1c2ccc(F)cc2c2c1CC[NH2+]C2 ZINC001167085548 1383536842 /nfs/dbraw/zinc/53/68/42/1383536842.db2.gz QEVSLOXTBSFEHG-UHFFFAOYSA-N 1 0 346.749 3.372 20 5 EGBDRO COc1c([N+](=O)[O-])cc(Cl)c(C)c1-n1ccc2cc(C[NH3+])cnc21 ZINC001167314227 1383594407 /nfs/dbraw/zinc/59/44/07/1383594407.db2.gz UUSFEWIVXOYKTD-UHFFFAOYSA-N 1 0 346.774 3.363 20 5 EGBDRO [NH3+]Cc1ccc2ncn(-c3cc(Cl)ccc3/C=C/[N+](=O)[O-])c2c1 ZINC001168847406 1384033516 /nfs/dbraw/zinc/03/35/16/1384033516.db2.gz FJWDAYFJYMZACY-AATRIKPKSA-N 1 0 328.759 3.385 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CCCc2ccc(Br)cc2)C1 ZINC001168956273 1384070804 /nfs/dbraw/zinc/07/08/04/1384070804.db2.gz DFVNSELOOYKWPO-UKRRQHHQSA-N 1 0 341.249 3.417 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]C2(c3ccc(Br)cc3)CC2)C1 ZINC001168982883 1384078888 /nfs/dbraw/zinc/07/88/88/1384078888.db2.gz JEOXENLRCIIRCL-FZMZJTMJSA-N 1 0 339.233 3.473 20 5 EGBDRO CC(C)(C)OC(=O)c1ccc(CC[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001168989284 1384080090 /nfs/dbraw/zinc/08/00/90/1384080090.db2.gz VOVVBXCNKGTNKR-WBVHZDCISA-N 1 0 348.443 3.219 20 5 EGBDRO C[C@H](Cc1cccc(Br)c1)[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168990181 1384080416 /nfs/dbraw/zinc/08/04/16/1384080416.db2.gz YAIYZZIQUFJUBL-UXIGCNINSA-N 1 0 341.249 3.415 20 5 EGBDRO [NH3+][C@@H]1CCc2c3cc(F)ccc3n([C@H]3CC[C@@H](C[N+](=O)[O-])C3)c2C1 ZINC001168997107 1384081771 /nfs/dbraw/zinc/08/17/71/1384081771.db2.gz XTORCCPRJPKRAT-BNOWGMLFSA-N 1 0 331.391 3.214 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(-n2c(CCC[NH3+])nc3ccc(Cl)cc32)n1 ZINC001168996732 1384081995 /nfs/dbraw/zinc/08/19/95/1384081995.db2.gz XJFWUZFRKZWSFH-UHFFFAOYSA-N 1 0 345.790 3.182 20 5 EGBDRO CC1(C)CN(Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168998253 1384082764 /nfs/dbraw/zinc/08/27/64/1384082764.db2.gz KNPVVEUXIYVFMP-QRVBRYPASA-N 1 0 345.487 3.322 20 5 EGBDRO COc1ccc(CC2(C[NH2+][C@H]3CC[C@@H](C[N+](=O)[O-])C3)CCC2)cc1 ZINC001168997730 1384083108 /nfs/dbraw/zinc/08/31/08/1384083108.db2.gz FFSGDDKXDSCTOO-SJORKVTESA-N 1 0 332.444 3.443 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CCc2ccsc2Br)C1 ZINC001169001006 1384083863 /nfs/dbraw/zinc/08/38/63/1384083863.db2.gz CEAMJRQIGNDQPN-MWLCHTKSSA-N 1 0 333.251 3.088 20 5 EGBDRO O=C(c1ccc(F)cc1)C1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169005351 1384084929 /nfs/dbraw/zinc/08/49/29/1384084929.db2.gz BBWXKYMYTKQLMI-DYVFJYSZSA-N 1 0 334.391 3.166 20 5 EGBDRO CN(C)C[C@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)C12CC3CC(CC(C3)C1)C2 ZINC001169003126 1384085314 /nfs/dbraw/zinc/08/53/14/1384085314.db2.gz NSBRQTXQHIBYBF-HDFHTSGDSA-N 1 0 349.519 3.168 20 5 EGBDRO Cc1cc([C@H](C)[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)ncc1Br ZINC001169006956 1384085966 /nfs/dbraw/zinc/08/59/66/1384085966.db2.gz ZTEXBDQGUVMJMD-TUAOUCFPSA-N 1 0 342.237 3.249 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CCc2ccc(Br)s2)C1 ZINC001169005864 1384086532 /nfs/dbraw/zinc/08/65/32/1384086532.db2.gz VENBPIISCOTFBM-VHSXEESVSA-N 1 0 333.251 3.088 20 5 EGBDRO C[N@H+](CCc1cccc(C(F)(F)F)n1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169009065 1384087563 /nfs/dbraw/zinc/08/75/63/1384087563.db2.gz UUAIJOZINIXBEU-YPMHNXCESA-N 1 0 331.338 3.020 20 5 EGBDRO C[N@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C1CCN(Cc2ccccc2)CC1 ZINC001169010023 1384088276 /nfs/dbraw/zinc/08/82/76/1384088276.db2.gz AIISPEMYWOAUOT-HKUYNNGSSA-N 1 0 331.460 3.028 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@H+](CCO)Cc2ccc(Cl)c(Cl)c2)C1 ZINC001169036559 1384096163 /nfs/dbraw/zinc/09/61/63/1384096163.db2.gz GPALJLVSJBREQJ-AAEUAGOBSA-N 1 0 347.242 3.233 20 5 EGBDRO C[N@H+](Cc1cccc(Br)c1F)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169036650 1384096453 /nfs/dbraw/zinc/09/64/53/1384096453.db2.gz PJRFCENIJJWIJC-PWSUYJOCSA-N 1 0 345.212 3.465 20 5 EGBDRO COc1ccc(C[C@@H]2CCC[N@@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C2)cc1 ZINC001169040444 1384097832 /nfs/dbraw/zinc/09/78/32/1384097832.db2.gz ZVMUVNARYQNCCY-OKZBNKHCSA-N 1 0 332.444 3.395 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CC[C@]3(CCCN3Cc3ccccc3)C2)C1 ZINC001169042443 1384099301 /nfs/dbraw/zinc/09/93/01/1384099301.db2.gz DLVNTPDMFAGJIP-VAMGGRTRSA-N 1 0 343.471 3.172 20 5 EGBDRO CN(Cc1ccc(F)cc1)C1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169049141 1384100564 /nfs/dbraw/zinc/10/05/64/1384100564.db2.gz VZMXLPZCCOBEHL-VQIMIIECSA-N 1 0 349.450 3.167 20 5 EGBDRO C[C@@H]1C[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)[C@H](C)CN1Cc1ccccc1 ZINC001169057908 1384102050 /nfs/dbraw/zinc/10/20/50/1384102050.db2.gz YXIDELSPCXKCLP-PSBWJHGTSA-N 1 0 331.460 3.027 20 5 EGBDRO CC1(C)C[C@@H](Nc2ncc3cccc([N+](=O)[O-])c3n2)C[C@](C)(C[NH3+])C1 ZINC001169144838 1384114038 /nfs/dbraw/zinc/11/40/38/1384114038.db2.gz NYHPYPDYGSPXSL-ACJLOTCBSA-N 1 0 343.431 3.494 20 5 EGBDRO CN1Cc2cc(N[C@H]3CC(C)(C)C[C@@](C)(C[NH3+])C3)cc([N+](=O)[O-])c2N1 ZINC001169145215 1384114320 /nfs/dbraw/zinc/11/43/20/1384114320.db2.gz CSAOHFYMZBKRSN-KSSFIOAISA-N 1 0 347.463 3.323 20 5 EGBDRO c1nc(CNc2ncnc3cc4ccccc4cc32)c2n1CCC[NH2+]C2 ZINC001169240480 1384126552 /nfs/dbraw/zinc/12/65/52/1384126552.db2.gz IWPGTADZVWVLEM-UHFFFAOYSA-N 1 0 344.422 3.085 20 5 EGBDRO C[NH+](C)CCC(C)(C)Nc1cnc(Oc2ccc([N+](=O)[O-])cc2)nc1 ZINC001169718368 1384177662 /nfs/dbraw/zinc/17/76/62/1384177662.db2.gz SOJMGLVXGKDXSF-UHFFFAOYSA-N 1 0 345.403 3.319 20 5 EGBDRO Cc1ccc2c(ccnc2NCC23CC[NH+](CC2)CC3)c1[N+](=O)[O-] ZINC001169794404 1384186628 /nfs/dbraw/zinc/18/66/28/1384186628.db2.gz LSSASNFCSDWYAU-UHFFFAOYSA-N 1 0 326.400 3.349 20 5 EGBDRO CCC1(C(=O)NCCC[NH2+]Cc2ccccc2[N+](=O)[O-])CCCC1 ZINC001169861947 1384192669 /nfs/dbraw/zinc/19/26/69/1384192669.db2.gz CKUMLOQHPFVXGH-UHFFFAOYSA-N 1 0 333.432 3.161 20 5 EGBDRO c1ccc2c(c1)c1ccccc1c1nc(NC[C@@H]3COCC[NH2+]3)cnc21 ZINC001170036201 1384222782 /nfs/dbraw/zinc/22/27/82/1384222782.db2.gz VNCMQQBZXKLBSP-CQSZACIVSA-N 1 0 344.418 3.337 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+][C@H](CCO)c2ccccc2)c([N+](=O)[O-])c1 ZINC001170295244 1384284808 /nfs/dbraw/zinc/28/48/08/1384284808.db2.gz BUTTUVPSWPTHRJ-RDTXWAMCSA-N 1 0 344.411 3.248 20 5 EGBDRO COc1ccc(C[C@@H](C)N2CC[C@@H]([NH3+])c3ccccc32)c([N+](=O)[O-])c1 ZINC001170305817 1384287198 /nfs/dbraw/zinc/28/71/98/1384287198.db2.gz QFQWNWBQIPDQIO-CXAGYDPISA-N 1 0 341.411 3.445 20 5 EGBDRO COc1ccc(C[C@@H](C)n2cc3cc(C[NH3+])ccc3n2)c([N+](=O)[O-])c1 ZINC001170309223 1384288112 /nfs/dbraw/zinc/28/81/12/1384288112.db2.gz PNHBNKLRGRAQJY-GFCCVEGCSA-N 1 0 340.383 3.216 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2ccc(OC)c(O)c2)c([N+](=O)[O-])c1 ZINC001170323697 1384290788 /nfs/dbraw/zinc/29/07/88/1384290788.db2.gz LNPOSDMPBNBIIB-GFCCVEGCSA-N 1 0 346.383 3.038 20 5 EGBDRO COc1ccc(C[C@@H](C)[N@@H+]2CCc3c(O)cccc3C2)c([N+](=O)[O-])c1 ZINC001170326666 1384292154 /nfs/dbraw/zinc/29/21/54/1384292154.db2.gz BIOWZOOILDKPCL-CYBMUJFWSA-N 1 0 342.395 3.298 20 5 EGBDRO COc1ccc(C[C@H](C)[N@@H+]2CCC[C@@]3(CCOC3)C2)c([N+](=O)[O-])c1 ZINC001170334105 1384293481 /nfs/dbraw/zinc/29/34/81/1384293481.db2.gz BNROUPQDEFYJJM-KBXCAEBGSA-N 1 0 334.416 3.037 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH+]2CCC(n3ccnc3)CC2)c([N+](=O)[O-])c1 ZINC001170351765 1384298109 /nfs/dbraw/zinc/29/81/09/1384298109.db2.gz IHFCKGACXFCOBX-CQSZACIVSA-N 1 0 344.415 3.068 20 5 EGBDRO CCC[N@H+]([C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])C1CCOCC1 ZINC001170354911 1384299130 /nfs/dbraw/zinc/29/91/30/1384299130.db2.gz RSIMSMAJBCNDRJ-AWEZNQCLSA-N 1 0 336.432 3.425 20 5 EGBDRO COc1ccc2c(c1)C[C@H](Nc1cc3c(cc1[N+](=O)[O-])C[NH2+]C3)CC2 ZINC001170412007 1384311445 /nfs/dbraw/zinc/31/14/45/1384311445.db2.gz CJKNGSMLHDSMEH-MRXNPFEDSA-N 1 0 339.395 3.176 20 5 EGBDRO Cc1c(F)cnc(-n2c(-c3ccccc3)cnc2[C@H](C)[NH3+])c1[N+](=O)[O-] ZINC001170679962 1384363988 /nfs/dbraw/zinc/36/39/88/1384363988.db2.gz NSCQOEKDWWYYBF-NSHDSACASA-N 1 0 341.346 3.310 20 5 EGBDRO CC[C@@]([NH3+])(CO)Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC001170862628 1384400875 /nfs/dbraw/zinc/40/08/75/1384400875.db2.gz JVLNFDWXLDBFAV-INIZCTEOSA-N 1 0 333.413 3.215 20 5 EGBDRO [NH3+][C@@H]1CCc2c3ccccc3n(-c3ccc4c([N+](=O)[O-])c[nH]c4n3)c2C1 ZINC001171090989 1384444187 /nfs/dbraw/zinc/44/41/87/1384444187.db2.gz PBBZHAHEPZTXTA-LLVKDONJSA-N 1 0 347.378 3.231 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(-n2cc(C[C@@H](C)[NH3+])c3ccc(C)cc32)n1 ZINC001171164246 1384458500 /nfs/dbraw/zinc/45/85/00/1384458500.db2.gz HRMXBBANOLJHIB-GFCCVEGCSA-N 1 0 340.383 3.140 20 5 EGBDRO CC[C@H]1CC[C@H](C(=O)NCCC[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001171666979 1384595408 /nfs/dbraw/zinc/59/54/08/1384595408.db2.gz AHKFCRSBFXMPJF-WKILWMFISA-N 1 0 347.459 3.407 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](CO)CC(F)(F)F ZINC001335836579 1388947774 /nfs/dbraw/zinc/94/77/74/1388947774.db2.gz COGSKTBCOUIIKX-IUCAKERBSA-N 1 0 338.351 3.281 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]C[C@@H]1Cc3ccccc3O1)CC2 ZINC001172897627 1384873563 /nfs/dbraw/zinc/87/35/63/1384873563.db2.gz BIXVCIMUDGUUAO-HKUYNNGSSA-N 1 0 338.407 3.436 20 5 EGBDRO NC(=O)C1([NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCCCCC1 ZINC001172899619 1384874343 /nfs/dbraw/zinc/87/43/43/1384874343.db2.gz OJQWWGZORLVCKO-MRXNPFEDSA-N 1 0 345.443 3.010 20 5 EGBDRO NC(=O)C1([NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCCCCC1 ZINC001172899609 1384874355 /nfs/dbraw/zinc/87/43/55/1384874355.db2.gz OJQWWGZORLVCKO-INIZCTEOSA-N 1 0 345.443 3.010 20 5 EGBDRO [NH3+]C[C@H]1CN([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)c2ccccc21 ZINC001172903623 1384874523 /nfs/dbraw/zinc/87/45/23/1384874523.db2.gz RWUCTMMURUNWGG-IRXDYDNUSA-N 1 0 337.423 3.405 20 5 EGBDRO CCOC(=O)CC(C)(C)C[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172904329 1384874718 /nfs/dbraw/zinc/87/47/18/1384874718.db2.gz XAALKXLCKHMMTF-INIZCTEOSA-N 1 0 348.443 3.411 20 5 EGBDRO CCOc1ccnc(C[NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)c1 ZINC001172903027 1384875084 /nfs/dbraw/zinc/87/50/84/1384875084.db2.gz DDXFHTUEWIQCLW-MRXNPFEDSA-N 1 0 341.411 3.426 20 5 EGBDRO O=C1CCC[C@@H]2C[N@@H+]([C@H]3CCc4ccc([N+](=O)[O-])cc4CC3)C[C@@H]12 ZINC001172914133 1384876642 /nfs/dbraw/zinc/87/66/42/1384876642.db2.gz ZTJLFFBIIQMWPJ-SOLBZPMBSA-N 1 0 328.412 3.143 20 5 EGBDRO COc1cccnc1C[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172912767 1384876896 /nfs/dbraw/zinc/87/68/96/1384876896.db2.gz PUBXRIQDQFSTOL-HNNXBMFYSA-N 1 0 327.384 3.036 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CCC[C@@H]1c1cnccn1)CC2 ZINC001172915178 1384877490 /nfs/dbraw/zinc/87/74/90/1384877490.db2.gz MBMXMSDWXAPABL-VQIMIIECSA-N 1 0 338.411 3.469 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@H]2CCC(F)(F)C2)c1F ZINC001173175893 1384931987 /nfs/dbraw/zinc/93/19/87/1384931987.db2.gz URALUSHTYQRHMQ-UWVGGRQHSA-N 1 0 332.322 3.451 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C2CCC(OC)CC2)c1F ZINC001173188060 1384933349 /nfs/dbraw/zinc/93/33/49/1384933349.db2.gz HZFGJGGYNRZQCD-HIFPTAJRSA-N 1 0 340.395 3.221 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2CCC[C@H](OC)CC2)c1F ZINC001173197355 1384934008 /nfs/dbraw/zinc/93/40/08/1384934008.db2.gz UKCWBFUIOAIKHQ-OLZOCXBDSA-N 1 0 340.395 3.174 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1[C@@H]2C[C@@H]3C[C@H]1C[C@](O)(C2)C3 ZINC001173210692 1384936480 /nfs/dbraw/zinc/93/64/80/1384936480.db2.gz MMMVMGOWAWYSRF-RJIFAXAPSA-N 1 0 330.428 3.055 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cc(Br)no1 ZINC001173213282 1384937049 /nfs/dbraw/zinc/93/70/49/1384937049.db2.gz HNODZAKCBIOEAH-VIFPVBQESA-N 1 0 340.177 3.066 20 5 EGBDRO CC(C)COc1cc(C[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)ncn1 ZINC001173218126 1384937592 /nfs/dbraw/zinc/93/75/92/1384937592.db2.gz BHLCJLAXSDCGIC-AWEZNQCLSA-N 1 0 344.415 3.140 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](CCO)c1ccc(F)cc1 ZINC001173219027 1384937684 /nfs/dbraw/zinc/93/76/84/1384937684.db2.gz VGNHYFXZEHJILB-ACJLOTCBSA-N 1 0 332.375 3.378 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1C[C@H](CC[NH3+])c2ccccc21 ZINC001173215999 1384937790 /nfs/dbraw/zinc/93/77/90/1384937790.db2.gz GVTUQQSHHCGBTB-ZBFHGGJFSA-N 1 0 325.412 3.478 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cccc2c1OCCO2 ZINC001173219035 1384937995 /nfs/dbraw/zinc/93/79/95/1384937995.db2.gz VHRSLCFZGIEGFA-CYBMUJFWSA-N 1 0 328.368 3.087 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCc2ccc(O)cc2C1 ZINC001173219585 1384938648 /nfs/dbraw/zinc/93/86/48/1384938648.db2.gz OBYIRFHGLFHNBM-GUYCJALGSA-N 1 0 326.396 3.379 20 5 EGBDRO COC(=O)CC1([NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC001173222750 1384939225 /nfs/dbraw/zinc/93/92/25/1384939225.db2.gz YYQHUVNSLYPNJZ-CQSZACIVSA-N 1 0 334.416 3.381 20 5 EGBDRO CC[C@@H]1[N@@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)CCC[C@]12CCC(=O)N2 ZINC001173224755 1384939259 /nfs/dbraw/zinc/93/92/59/1384939259.db2.gz IIQZUBLANLOIIB-LJHODMEESA-N 1 0 345.443 3.049 20 5 EGBDRO Cc1ccc(O[C@@H]2CC[N@@H+]([C@@H](C)Cc3ccc([N+](=O)[O-])cc3)C2)nc1 ZINC001173236811 1384942096 /nfs/dbraw/zinc/94/20/96/1384942096.db2.gz FIZGQHLIDUOCLQ-MAUKXSAKSA-N 1 0 341.411 3.383 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCC(=O)OCc1ccccc1 ZINC001173234407 1384942167 /nfs/dbraw/zinc/94/21/67/1384942167.db2.gz ONLIOOJCZVONTF-OAHLLOKOSA-N 1 0 342.395 3.249 20 5 EGBDRO C[NH+]1CCN(c2cccc(F)c2Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC001174479289 1385112778 /nfs/dbraw/zinc/11/27/78/1385112778.db2.gz GRHRFNUSIXIVEB-UHFFFAOYSA-N 1 0 330.363 3.229 20 5 EGBDRO Cc1ccc(C(=O)NCCC[NH2+]Cc2csc([N+](=O)[O-])c2)c(C)c1 ZINC001175098361 1385194491 /nfs/dbraw/zinc/19/44/91/1385194491.db2.gz PAWKGBUFVZFSOX-UHFFFAOYSA-N 1 0 347.440 3.183 20 5 EGBDRO CC1(C)CCC(C(=O)NCCC[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001177161169 1385840364 /nfs/dbraw/zinc/84/03/64/1385840364.db2.gz ZZUFXKMRDUVKTA-UHFFFAOYSA-N 1 0 347.459 3.407 20 5 EGBDRO O=C(NCCCCCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1ccco1 ZINC001177771496 1386039878 /nfs/dbraw/zinc/03/98/78/1386039878.db2.gz MBCBOEVDOQTKHX-UHFFFAOYSA-N 1 0 345.399 3.268 20 5 EGBDRO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC001319838573 1386327924 /nfs/dbraw/zinc/32/79/24/1386327924.db2.gz RZDMDPULFFAJNR-TZMCWYRMSA-N 1 0 340.811 3.243 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc2c[nH+]cn2c1C ZINC001321631427 1386945386 /nfs/dbraw/zinc/94/53/86/1386945386.db2.gz ROKQLNSPQNOIQY-UHFFFAOYSA-N 1 0 340.339 3.202 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCC(=O)N1CCC[C@H](C)C1 ZINC001321722147 1386966471 /nfs/dbraw/zinc/96/64/71/1386966471.db2.gz OPBAZLGCLLJXFE-CNYBTUBUSA-N 1 0 345.443 3.236 20 5 EGBDRO Cc1cccc(-c2nnc(CC[NH+]3CCC(C)CC3)o2)c1[N+](=O)[O-] ZINC001322533222 1387202099 /nfs/dbraw/zinc/20/20/99/1387202099.db2.gz DDGVIWLWTYPRBY-UHFFFAOYSA-N 1 0 330.388 3.228 20 5 EGBDRO Cc1c(C[NH2+]CCCCNC(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC001330795925 1389530151 /nfs/dbraw/zinc/53/01/51/1389530151.db2.gz XZFWVKQMDQRXND-UHFFFAOYSA-N 1 0 337.420 3.298 20 5 EGBDRO CCC(CC)[NH2+]CCNc1ncnc2c(Cl)cc([N+](=O)[O-])cc12 ZINC001348110096 1391174074 /nfs/dbraw/zinc/17/40/74/1391174074.db2.gz FFYZZRZGMNDJCW-UHFFFAOYSA-N 1 0 337.811 3.382 20 5 EGBDRO CCN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)C(C)(C)C1CCC1 ZINC001754059523 1440536718 /nfs/dbraw/zinc/53/67/18/1440536718.db2.gz UCUBVNAGBCOFOB-UHFFFAOYSA-N 1 0 347.459 3.359 20 5 EGBDRO CCC(=O)NC[C@H]1CC[C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001754833015 1440696034 /nfs/dbraw/zinc/69/60/34/1440696034.db2.gz HZJKVNZSBQMEIQ-SHTZXODSSA-N 1 0 333.432 3.017 20 5 EGBDRO CN(CC(C)(C)C[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)C1(C)CC1 ZINC001755280280 1440800416 /nfs/dbraw/zinc/80/04/16/1440800416.db2.gz DYQQQVMKRKIMIV-UHFFFAOYSA-N 1 0 339.461 3.031 20 5 EGBDRO CC[C@H]([NH2+]CC(=O)N1C[C@H](C)C[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000181525473 529586565 /nfs/dbraw/zinc/58/65/65/529586565.db2.gz VGGDWMJWMDKCDA-VBQJREDUSA-N 1 0 333.432 3.140 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccc(Cl)cn2)cc1[N+](=O)[O-] ZINC000181843080 234347059 /nfs/dbraw/zinc/34/70/59/234347059.db2.gz DTNGZEXEZZKYMT-LLVKDONJSA-N 1 0 348.790 3.241 20 5 EGBDRO C[C@@](O)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)c1ccsc1 ZINC000183809887 235232674 /nfs/dbraw/zinc/23/26/74/235232674.db2.gz QGLJJQIHOXJFKG-CQSZACIVSA-N 1 0 326.805 3.307 20 5 EGBDRO CCCN(CC[NH+]1CCCC1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000342253473 283240915 /nfs/dbraw/zinc/24/09/15/283240915.db2.gz APKPHCJTCFSODL-UHFFFAOYSA-N 1 0 339.823 3.196 20 5 EGBDRO COc1cc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc(OC)c1O ZINC000298717242 201353089 /nfs/dbraw/zinc/35/30/89/201353089.db2.gz YTWFVJHGSUHRBT-LLVKDONJSA-N 1 0 332.356 3.168 20 5 EGBDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1csc([N+](=O)[O-])c1 ZINC000053016730 202653253 /nfs/dbraw/zinc/65/32/53/202653253.db2.gz JSHZBFKNLQXUJE-UHFFFAOYSA-N 1 0 347.440 3.427 20 5 EGBDRO CC(C)C(=O)NCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000236788535 242357024 /nfs/dbraw/zinc/35/70/24/242357024.db2.gz DYMIOZHLFOSRIV-UHFFFAOYSA-N 1 0 347.440 3.185 20 5 EGBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000072809596 203246605 /nfs/dbraw/zinc/24/66/05/203246605.db2.gz DERGVIXOHYHNOW-CVEARBPZSA-N 1 0 345.443 3.321 20 5 EGBDRO C[N@H+](CCc1cccs1)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000075966295 203329876 /nfs/dbraw/zinc/32/98/76/203329876.db2.gz FSUKLNCDSOLVQG-UHFFFAOYSA-N 1 0 344.396 3.381 20 5 EGBDRO CC(C)(C)[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccccc1 ZINC000090553253 203616838 /nfs/dbraw/zinc/61/68/38/203616838.db2.gz JVXCZLJJQAWIPK-QGZVFWFLSA-N 1 0 329.400 3.134 20 5 EGBDRO Cc1cccc(C(=O)Nc2ccc(CC[NH+](C)C)cc2)c1[N+](=O)[O-] ZINC000102732050 204047150 /nfs/dbraw/zinc/04/71/50/204047150.db2.gz MJPXOENRNYMLKT-UHFFFAOYSA-N 1 0 327.384 3.260 20 5 EGBDRO C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C[C@@H]1CCCOC1 ZINC000107686523 204244038 /nfs/dbraw/zinc/24/40/38/204244038.db2.gz QRIGEEKQNTYSNI-AWEZNQCLSA-N 1 0 345.399 3.151 20 5 EGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](CO)Cc1ccccc1 ZINC000130291217 205233113 /nfs/dbraw/zinc/23/31/13/205233113.db2.gz GNRCQVMDUVXXCC-QAPCUYQASA-N 1 0 328.412 3.109 20 5 EGBDRO CCc1ccc(C(=O)N2CCC(CCC[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000133314322 205363664 /nfs/dbraw/zinc/36/36/64/205363664.db2.gz VNUZJUUYJWFVLJ-UHFFFAOYSA-N 1 0 347.459 3.351 20 5 EGBDRO CC(C)(C)OC(=O)NCC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000132832032 205343922 /nfs/dbraw/zinc/34/39/22/205343922.db2.gz WSCGABVGQHZXTD-HNNXBMFYSA-N 1 0 349.431 3.030 20 5 EGBDRO Cc1noc(C)c1CC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000155936630 206046092 /nfs/dbraw/zinc/04/60/92/206046092.db2.gz GVKNNGRQKUVYBC-QGZVFWFLSA-N 1 0 329.400 3.353 20 5 EGBDRO CC[N@H+](C)C[C@@H]1CCN(c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000266189444 248159408 /nfs/dbraw/zinc/15/94/08/248159408.db2.gz FURCXLSMWKHQKJ-NSHDSACASA-N 1 0 342.237 3.135 20 5 EGBDRO Cn1ccnc1[C@@H]1CCC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000377294112 169007037 /nfs/dbraw/zinc/00/70/37/169007037.db2.gz REAVFMWSTHTATD-CYBMUJFWSA-N 1 0 334.807 3.361 20 5 EGBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)C1 ZINC000091984100 218098022 /nfs/dbraw/zinc/09/80/22/218098022.db2.gz OADZIUSXQVCUKF-MRXNPFEDSA-N 1 0 347.459 3.324 20 5 EGBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000174486489 207022324 /nfs/dbraw/zinc/02/23/24/207022324.db2.gz NFWSORRXQBKVSB-LBPRGKRZSA-N 1 0 347.440 3.223 20 5 EGBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCCC[C@@H]2c2cc3ccccc3[nH]2)n1 ZINC000176236561 207205275 /nfs/dbraw/zinc/20/52/75/207205275.db2.gz JOJLKHBGQHMICP-QGZVFWFLSA-N 1 0 339.399 3.500 20 5 EGBDRO COc1ccc(C[NH2+]C2CCC(c3nc(C)no3)CC2)cc1[N+](=O)[O-] ZINC000267779729 251340109 /nfs/dbraw/zinc/34/01/09/251340109.db2.gz CBDCWWIOKHSJLB-UHFFFAOYSA-N 1 0 346.387 3.111 20 5 EGBDRO Cc1ccc([C@H](C)NC(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000176575157 207239450 /nfs/dbraw/zinc/23/94/50/207239450.db2.gz VJGJCOYHXUILLY-BPUTZDHNSA-N 1 0 348.447 3.136 20 5 EGBDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000177345008 207323849 /nfs/dbraw/zinc/32/38/49/207323849.db2.gz ZJQCROGYRANYCG-UHFFFAOYSA-N 1 0 327.384 3.146 20 5 EGBDRO O=C(Cc1cccc([N+](=O)[O-])c1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177267488 207313887 /nfs/dbraw/zinc/31/38/87/207313887.db2.gz ACCYRXWNUUBARA-UHFFFAOYSA-N 1 0 345.443 3.051 20 5 EGBDRO CC[N@H+](C)C[C@@H]1CCN(c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000268788342 252237486 /nfs/dbraw/zinc/23/74/86/252237486.db2.gz FTDFTCCHISSTDV-NSHDSACASA-N 1 0 342.237 3.135 20 5 EGBDRO Cc1ccc([C@H](C)NCC2([NH+]3CCCC3)CCOCC2)cc1[N+](=O)[O-] ZINC000268870825 252319491 /nfs/dbraw/zinc/31/94/91/252319491.db2.gz KBQOVYCBFXQULO-INIZCTEOSA-N 1 0 347.459 3.199 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)NCc2ccccc2)cc1[N+](=O)[O-] ZINC000178679304 207519822 /nfs/dbraw/zinc/51/98/22/207519822.db2.gz NRPHBOVXNLUMHC-LSDHHAIUSA-N 1 0 341.411 3.259 20 5 EGBDRO CC[NH+](CC)Cc1cccc(NC(=O)c2c(N)cccc2[N+](=O)[O-])c1 ZINC000180640379 207811521 /nfs/dbraw/zinc/81/15/21/207811521.db2.gz RUIUBGNNTSKRCP-UHFFFAOYSA-N 1 0 342.399 3.271 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+][C@@H](CO)Cc1ccccc1)C1CC1 ZINC000158263261 285161514 /nfs/dbraw/zinc/16/15/14/285161514.db2.gz FXJCBVHIMMNORG-RTBURBONSA-N 1 0 340.423 3.109 20 5 EGBDRO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])s1)[C@@H](c1ccccc1)[NH+](C)C ZINC000187193610 533292947 /nfs/dbraw/zinc/29/29/47/533292947.db2.gz KKLVPDAKKLNHEE-ABAIWWIYSA-N 1 0 333.413 3.078 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCCn1nc(C)cc1C ZINC000344920659 533409105 /nfs/dbraw/zinc/40/91/05/533409105.db2.gz ZPTKJURYUMLUNZ-GXDHUFHOSA-N 1 0 328.416 3.491 20 5 EGBDRO COCc1cc([N+](=O)[O-])ccc1N1CCCC2(CC[NH+](C)CC2)C1 ZINC000369863167 285493879 /nfs/dbraw/zinc/49/38/79/285493879.db2.gz KWCOAZMTKBCVQS-UHFFFAOYSA-N 1 0 333.432 3.053 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]Cc1ccccc1Cn1cncn1 ZINC000337818586 141061588 /nfs/dbraw/zinc/06/15/88/141061588.db2.gz QDUXEMRIOMMQPF-UITAMQMPSA-N 1 0 349.394 3.038 20 5 EGBDRO C[C@H]1C[C@@H](CCNc2c([N+](=O)[O-])ncn2C)C[N@@H+]1Cc1ccccc1 ZINC000338041870 141078793 /nfs/dbraw/zinc/07/87/93/141078793.db2.gz ANDRQHNIJCAJPL-GOEBONIOSA-N 1 0 343.431 3.041 20 5 EGBDRO CCCN(CCC[NH+](C)C)C(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000347914873 141216262 /nfs/dbraw/zinc/21/62/62/141216262.db2.gz NQDJGKOFLDQRHV-UHFFFAOYSA-N 1 0 339.461 3.121 20 5 EGBDRO O=[N+]([O-])c1cccc(CC[NH2+]Cc2ccnn2-c2ccc(F)cc2)c1 ZINC000354579666 141309065 /nfs/dbraw/zinc/30/90/65/141309065.db2.gz BDLCCXADRZLJFZ-UHFFFAOYSA-N 1 0 340.358 3.252 20 5 EGBDRO COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1C ZINC000354603080 141313693 /nfs/dbraw/zinc/31/36/93/141313693.db2.gz NIXUWBNOLNFGJM-ZETOZRRWSA-N 1 0 340.807 3.316 20 5 EGBDRO COc1cc(CN(C)CC[C@@H]2CCCC[N@@H+]2C)c([N+](=O)[O-])cc1F ZINC000184223939 144089452 /nfs/dbraw/zinc/08/94/52/144089452.db2.gz AIEIVSFACQQBSX-AWEZNQCLSA-N 1 0 339.411 3.049 20 5 EGBDRO C[C@H]1C[C@H](NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC[N@@H+]1C ZINC000344610643 144198227 /nfs/dbraw/zinc/19/82/27/144198227.db2.gz AYRUXAOPTKYLDT-UONOGXRCSA-N 1 0 329.400 3.427 20 5 EGBDRO Cc1nc(C)c(CC[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)s1 ZINC000351498644 144270241 /nfs/dbraw/zinc/27/02/41/144270241.db2.gz BZJKOFLONOYKHP-UONOGXRCSA-N 1 0 349.460 3.181 20 5 EGBDRO O=[N+]([O-])c1cc(F)c(C[NH2+][C@@H]2CCCC[C@@H]2n2cccn2)c(F)c1 ZINC000351815668 144310811 /nfs/dbraw/zinc/31/08/11/144310811.db2.gz NOJYFBKDNQCGNB-CVEARBPZSA-N 1 0 336.342 3.343 20 5 EGBDRO COCC(C)(C)CCC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000348314912 292193557 /nfs/dbraw/zinc/19/35/57/292193557.db2.gz HVNDUURTIGYMCW-CABCVRRESA-N 1 0 338.452 3.317 20 5 EGBDRO C[C@H](CNc1ncnc2sc([N+](=O)[O-])cc21)[N@@H+]1CCCC[C@H]1C ZINC000341528188 155336918 /nfs/dbraw/zinc/33/69/18/155336918.db2.gz FHOWBOOEGVPMCH-GHMZBOCLSA-N 1 0 335.433 3.274 20 5 EGBDRO C[C@@H](CNc1ncnc2sc([N+](=O)[O-])cc21)[N@@H+]1CCCC[C@H]1C ZINC000341528189 155336367 /nfs/dbraw/zinc/33/63/67/155336367.db2.gz FHOWBOOEGVPMCH-MNOVXSKESA-N 1 0 335.433 3.274 20 5 EGBDRO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)C[C@H]1CCCOC1 ZINC000119817712 152230969 /nfs/dbraw/zinc/23/09/69/152230969.db2.gz SJVRLBFKFVBWKF-LLVKDONJSA-N 1 0 330.331 3.055 20 5 EGBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000152497072 152497139 /nfs/dbraw/zinc/49/71/39/152497139.db2.gz HASWUQYUFOGVHU-KRWDZBQOSA-N 1 0 345.443 3.004 20 5 EGBDRO C[C@H](C[NH+]1CCCCCC1)NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000188441818 153017017 /nfs/dbraw/zinc/01/70/17/153017017.db2.gz UHDDQLAFJTWARY-CABCVRRESA-N 1 0 348.447 3.220 20 5 EGBDRO Cc1ccc(NC(=O)C2(c3ccccc3)CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000237664160 153520857 /nfs/dbraw/zinc/52/08/57/153520857.db2.gz JYPZMUXVTJCFEN-UHFFFAOYSA-N 1 0 339.395 3.163 20 5 EGBDRO Cc1cnc(N[C@H]2CCC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000309935130 154139566 /nfs/dbraw/zinc/13/95/66/154139566.db2.gz ALVIZNCDSJRLTJ-INIZCTEOSA-N 1 0 326.400 3.375 20 5 EGBDRO CCc1nn(C)c(NC[C@@H](c2ccccc2)[NH+](CC)CC)c1[N+](=O)[O-] ZINC000327280361 154186314 /nfs/dbraw/zinc/18/63/14/154186314.db2.gz VKQCKUUDRNWBRF-INIZCTEOSA-N 1 0 345.447 3.386 20 5 EGBDRO COc1ccc([C@H](CNc2ccc([N+](=O)[O-])cc2)[NH+](C)C)cc1OC ZINC000339960989 155052887 /nfs/dbraw/zinc/05/28/87/155052887.db2.gz WDSLHIIOLPRPGV-INIZCTEOSA-N 1 0 345.399 3.327 20 5 EGBDRO O=C(c1ccc2c[nH+]cn2c1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000339959316 155053131 /nfs/dbraw/zinc/05/31/31/155053131.db2.gz WQOCIRGJOVQEQI-UHFFFAOYSA-N 1 0 336.351 3.047 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(NC2CC[NH+](Cc3cccnc3)CC2)c1 ZINC000343078911 155638007 /nfs/dbraw/zinc/63/80/07/155638007.db2.gz GMLMORYTMIPLPB-UHFFFAOYSA-N 1 0 326.400 3.375 20 5 EGBDRO Cn1nccc1[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000372604352 157365225 /nfs/dbraw/zinc/36/52/25/157365225.db2.gz KDAYVTFAMVFZFB-LBPRGKRZSA-N 1 0 334.807 3.361 20 5 EGBDRO COCCOC[C@@H]1CC[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000093754987 162026085 /nfs/dbraw/zinc/02/60/85/162026085.db2.gz XWEKQQZTRFVPBL-MRXNPFEDSA-N 1 0 336.432 3.203 20 5 EGBDRO CN(c1ccccc1)c1ccc(C[N@@H+]2CC[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000127208975 162324635 /nfs/dbraw/zinc/32/46/35/162324635.db2.gz MROHZWHNPMNRSC-MRXNPFEDSA-N 1 0 341.411 3.177 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@@H]3CCC[C@@H](O)C3)cs2)c1 ZINC000304261736 163067958 /nfs/dbraw/zinc/06/79/58/163067958.db2.gz BZGLAMBLIGNRCI-MLGOLLRUSA-N 1 0 347.440 3.359 20 5 EGBDRO Cc1c([C@H](C)[NH2+]Cc2ccccc2OCCO)cccc1[N+](=O)[O-] ZINC000305168910 163075959 /nfs/dbraw/zinc/07/59/59/163075959.db2.gz TWRQCDFFEVHVRH-AWEZNQCLSA-N 1 0 330.384 3.125 20 5 EGBDRO CSc1ccc([C@@H](CNc2ccc([N+](=O)[O-])c(C)n2)[NH+](C)C)cc1 ZINC000338838477 163360018 /nfs/dbraw/zinc/36/00/18/163360018.db2.gz VFHNAMPEESAJRQ-MRXNPFEDSA-N 1 0 346.456 3.157 20 5 EGBDRO CC(C)(C)OC(=O)CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000344198224 164124655 /nfs/dbraw/zinc/12/46/55/164124655.db2.gz BNJLBQZVSRTZQO-UHFFFAOYSA-N 1 0 328.796 3.460 20 5 EGBDRO Cn1cc(C[NH2+]C[C@H]2CCCCS2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000344325363 164156967 /nfs/dbraw/zinc/15/69/67/164156967.db2.gz LSXDKOUGSHWEFX-MRXNPFEDSA-N 1 0 346.456 3.371 20 5 EGBDRO C[C@@H]1OCC[C@@]1(C)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000344373814 164166279 /nfs/dbraw/zinc/16/62/79/164166279.db2.gz MFFSMQIQRYWYIA-MEDUHNTESA-N 1 0 333.413 3.375 20 5 EGBDRO Cc1ccccc1C[N@@H+](C)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000344440605 164179157 /nfs/dbraw/zinc/17/91/57/164179157.db2.gz VHBZSEUMKWPXMG-SFHVURJKSA-N 1 0 339.395 3.141 20 5 EGBDRO CC(C)[NH+]1CCC(C(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000345836158 164275293 /nfs/dbraw/zinc/27/52/93/164275293.db2.gz YPLUYGDWWKHLAL-UHFFFAOYSA-N 1 0 333.432 3.067 20 5 EGBDRO [NH3+][C@H]1CCCN(Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000346086068 164333702 /nfs/dbraw/zinc/33/37/02/164333702.db2.gz IAEDCFVTBNUWSX-HNNXBMFYSA-N 1 0 345.374 3.449 20 5 EGBDRO C[C@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[NH+]1CCC(C)CC1 ZINC000346181923 164358434 /nfs/dbraw/zinc/35/84/34/164358434.db2.gz VSLNPRZINNKIEU-GFCCVEGCSA-N 1 0 339.823 3.098 20 5 EGBDRO O=[N+]([O-])c1c(NCCCCC[NH+]2CCCCC2)nc2sccn21 ZINC000347329070 164481200 /nfs/dbraw/zinc/48/12/00/164481200.db2.gz YOLTYFZEDQICEU-UHFFFAOYSA-N 1 0 337.449 3.372 20 5 EGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)[C@H](CO)SC ZINC000349243397 164845031 /nfs/dbraw/zinc/84/50/31/164845031.db2.gz BXPUCBRKIMLKND-ZOWXZIJZSA-N 1 0 344.502 3.168 20 5 EGBDRO CCc1ccc(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000349544325 164893515 /nfs/dbraw/zinc/89/35/15/164893515.db2.gz ILHOXUVAXHRNES-INIZCTEOSA-N 1 0 347.440 3.251 20 5 EGBDRO Cc1ccc(C[N@H+](C)C[C@@H]2COc3ccccc3O2)cc1[N+](=O)[O-] ZINC000350086437 165001252 /nfs/dbraw/zinc/00/12/52/165001252.db2.gz SBGOPONBDGSKEO-OAHLLOKOSA-N 1 0 328.368 3.175 20 5 EGBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CC=CCC1 ZINC000350088088 165001561 /nfs/dbraw/zinc/00/15/61/165001561.db2.gz UWGCKAWRAPYKJL-UHFFFAOYSA-N 1 0 349.456 3.087 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1CN1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000352800101 165503182 /nfs/dbraw/zinc/50/31/82/165503182.db2.gz GSNMGNFOUOBWJS-PBHICJAKSA-N 1 0 333.432 3.052 20 5 EGBDRO Cc1[nH+]ccc(N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1Cl ZINC000355088746 166103452 /nfs/dbraw/zinc/10/34/52/166103452.db2.gz HPUVBXYGYRIATD-LLVKDONJSA-N 1 0 333.779 3.037 20 5 EGBDRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)c1ccc([N+](=O)[O-])s1)c1ccco1 ZINC000359565403 167195441 /nfs/dbraw/zinc/19/54/41/167195441.db2.gz USEFLCQNTOIHNU-MNOVXSKESA-N 1 0 337.401 3.109 20 5 EGBDRO C[C@H](c1nc2ccccc2o1)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365123034 168024986 /nfs/dbraw/zinc/02/49/86/168024986.db2.gz NDLABQOWUFXYTN-GFCCVEGCSA-N 1 0 341.371 3.331 20 5 EGBDRO CC[NH+](CC)CCN(Cc1cccs1)c1ncc([N+](=O)[O-])s1 ZINC000192485715 265972650 /nfs/dbraw/zinc/97/26/50/265972650.db2.gz PWADSLIKCYXPJL-UHFFFAOYSA-N 1 0 340.474 3.461 20 5 EGBDRO C[C@@H]1CCCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)[C@H]1C[NH3+] ZINC000237524094 266236247 /nfs/dbraw/zinc/23/62/47/266236247.db2.gz USEFNGQRGZVYRV-WBMJQRKESA-N 1 0 333.432 3.092 20 5 EGBDRO C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCc2ccccc2C1 ZINC000269626881 266330507 /nfs/dbraw/zinc/33/05/07/266330507.db2.gz CVJJDGURBDXCCT-HKUYNNGSSA-N 1 0 326.396 3.118 20 5 EGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC(C)(C)CCO ZINC000271179659 266616777 /nfs/dbraw/zinc/61/67/77/266616777.db2.gz VLYRKTVTLNDDQH-ZDUSSCGKSA-N 1 0 326.462 3.464 20 5 EGBDRO COc1ccc([C@@H](OC)[C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000271452731 266665042 /nfs/dbraw/zinc/66/50/42/266665042.db2.gz FANKGVUFFMVRNN-UGSOOPFHSA-N 1 0 330.384 3.469 20 5 EGBDRO C[C@H](C1CC[NH+](C)CC1)N(C)c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000273374977 267029076 /nfs/dbraw/zinc/02/90/76/267029076.db2.gz YDUQRTLEDDIYCY-LLVKDONJSA-N 1 0 343.374 3.363 20 5 EGBDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNc2ncc([N+](=O)[O-])cn2)cc1 ZINC000273626354 267070822 /nfs/dbraw/zinc/07/08/22/267070822.db2.gz PPFFYUGNPLLKHA-AWEZNQCLSA-N 1 0 341.415 3.371 20 5 EGBDRO CC(C)c1ccc(C(=O)NCC2(C)CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000276015211 267464828 /nfs/dbraw/zinc/46/48/28/267464828.db2.gz JHIWIDIXKGEUAG-UHFFFAOYSA-N 1 0 333.432 3.180 20 5 EGBDRO C[C@H](c1nc(-c2ccc(N)c([N+](=O)[O-])c2)no1)[NH+]1[C@H](C)CC[C@H]1C ZINC000276901194 267650387 /nfs/dbraw/zinc/65/03/87/267650387.db2.gz JCLGKHLITMSKQX-GMTAPVOTSA-N 1 0 331.376 3.161 20 5 EGBDRO CC(C)c1ccc(C(=O)N2CCC[C@H]([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000277370460 267772966 /nfs/dbraw/zinc/77/29/66/267772966.db2.gz VKXGKFVDALAUDE-HNNXBMFYSA-N 1 0 333.432 3.275 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CC[NH+]([C@H]3CCCc4ccccc43)CC2)cn1 ZINC000058423375 275036375 /nfs/dbraw/zinc/03/63/75/275036375.db2.gz MUBSNDMQCFWWBM-SFHVURJKSA-N 1 0 338.411 3.189 20 5 EGBDRO O=[N+]([O-])c1cnc(N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(Cl)c1 ZINC000161874359 275041186 /nfs/dbraw/zinc/04/11/86/275041186.db2.gz WWQFDMAGIXPSMG-ABAIWWIYSA-N 1 0 336.823 3.096 20 5 EGBDRO CC(C)C[NH+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000043342951 275128794 /nfs/dbraw/zinc/12/87/94/275128794.db2.gz LJQOILIZENFAQH-UHFFFAOYSA-N 1 0 340.811 3.054 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@H](C)c1ccccn1 ZINC000128106069 275192357 /nfs/dbraw/zinc/19/23/57/275192357.db2.gz ZTHLTIQGOGQVAS-CQSZACIVSA-N 1 0 342.399 3.320 20 5 EGBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@]2(O)CCC[C@H](C(F)(F)F)C2)c1 ZINC000189611108 275220017 /nfs/dbraw/zinc/22/00/17/275220017.db2.gz UNTZUCMVNAUESH-GXTWGEPZSA-N 1 0 332.322 3.168 20 5 EGBDRO C[C@@H]1CN(CCC[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCCO1 ZINC000278379262 275255852 /nfs/dbraw/zinc/25/58/52/275255852.db2.gz CXRCKPJZBHNEAY-BEFAXECRSA-N 1 0 347.459 3.063 20 5 EGBDRO CO[C@]1(C)CCC[N@@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000279291217 275319814 /nfs/dbraw/zinc/31/98/14/275319814.db2.gz LCPCWRWHVPSSHU-SJKOYZFVSA-N 1 0 346.387 3.207 20 5 EGBDRO CC[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000279366542 275325665 /nfs/dbraw/zinc/32/56/65/275325665.db2.gz WSTQVCWRCWCKPM-ZWNOBZJWSA-N 1 0 325.796 3.355 20 5 EGBDRO CC[C@@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000279366536 275325757 /nfs/dbraw/zinc/32/57/57/275325757.db2.gz WSTQVCWRCWCKPM-MFKMUULPSA-N 1 0 325.796 3.355 20 5 EGBDRO C[C@H]([NH2+]C1CCN(c2nccs2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000280990336 275512190 /nfs/dbraw/zinc/51/21/90/275512190.db2.gz IYIACHQRUYPZNM-LBPRGKRZSA-N 1 0 332.429 3.371 20 5 EGBDRO CC(=O)N1CCC[C@@H](C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000281283565 275536405 /nfs/dbraw/zinc/53/64/05/275536405.db2.gz XRABHNKKDLBAEU-KSSFIOAISA-N 1 0 345.443 3.165 20 5 EGBDRO CCC(=O)c1ccc(N(C)[C@@H](C)C2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000281498485 275553726 /nfs/dbraw/zinc/55/37/26/275553726.db2.gz OLIQKWPCCGWKBW-ZDUSSCGKSA-N 1 0 333.432 3.354 20 5 EGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1ncnn1C(C)(C)C ZINC000282678675 275659976 /nfs/dbraw/zinc/65/99/76/275659976.db2.gz JOUYJMRVFYCAPX-ZDUSSCGKSA-N 1 0 331.420 3.052 20 5 EGBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000287514403 276127477 /nfs/dbraw/zinc/12/74/77/276127477.db2.gz ZNYBTOPLLCNSLQ-HNNXBMFYSA-N 1 0 331.416 3.252 20 5 EGBDRO C[C@H]1[C@H](NC(=O)c2csc([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000288370978 276207164 /nfs/dbraw/zinc/20/71/64/276207164.db2.gz UVYLBHQALAEIRO-SWLSCSKDSA-N 1 0 345.424 3.049 20 5 EGBDRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)cc1O ZINC000289625272 276368229 /nfs/dbraw/zinc/36/82/29/276368229.db2.gz GZOZEMDIWRMARX-LLVKDONJSA-N 1 0 332.356 3.168 20 5 EGBDRO C[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1Cl)C1=CC[N@H+](C)CC1 ZINC000289743454 276386891 /nfs/dbraw/zinc/38/68/91/276386891.db2.gz QQWGTQWEOSLYTR-SNVBAGLBSA-N 1 0 338.795 3.020 20 5 EGBDRO O=C(NCC[NH+]1CCCCC1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000291478777 276649294 /nfs/dbraw/zinc/64/92/94/276649294.db2.gz MLONLFBUTNHUAG-UHFFFAOYSA-N 1 0 346.214 3.117 20 5 EGBDRO C[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])[C@H]1OCCc2sccc21 ZINC000292274966 276761071 /nfs/dbraw/zinc/76/10/71/276761071.db2.gz BIRJTPKCMWWBLY-SJKOYZFVSA-N 1 0 348.424 3.327 20 5 EGBDRO C[C@@H]1CCC[C@@H]1C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000353600265 277712842 /nfs/dbraw/zinc/71/28/42/277712842.db2.gz YGRFIFXTBTUGMQ-FRFSOERESA-N 1 0 328.416 3.444 20 5 EGBDRO CC(C)c1ccc(C(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000187768539 278021788 /nfs/dbraw/zinc/02/17/88/278021788.db2.gz UEDLWKPBLBSIJO-BBRMVZONSA-N 1 0 333.432 3.130 20 5 EGBDRO C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc(C(F)(F)F)cc1 ZINC000182417703 278349022 /nfs/dbraw/zinc/34/90/22/278349022.db2.gz PAFYJOOSDBOGNR-SNVBAGLBSA-N 1 0 328.294 3.161 20 5 EGBDRO C[C@@H]([NH2+]Cc1ccccc1N1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000177964851 278359010 /nfs/dbraw/zinc/35/90/10/278359010.db2.gz QKNQAHPDVXOBDV-OAHLLOKOSA-N 1 0 341.411 3.282 20 5 EGBDRO C[C@H](CNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[N@@H+]1CCCC[C@H]1C ZINC000347296574 279339176 /nfs/dbraw/zinc/33/91/76/279339176.db2.gz FVMSAFBGZCNUJQ-VXGBXAGGSA-N 1 0 338.383 3.118 20 5 EGBDRO Cn1ccnc1[C@@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000342803381 279375499 /nfs/dbraw/zinc/37/54/99/279375499.db2.gz XWNXRSULFNYDBN-KRWDZBQOSA-N 1 0 328.416 3.392 20 5 EGBDRO O=[N+]([O-])c1cc(F)c(N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(F)c1 ZINC000121791281 280359480 /nfs/dbraw/zinc/35/94/80/280359480.db2.gz JZDJAEAJGMDOOL-BZNIZROVSA-N 1 0 337.370 3.326 20 5 EGBDRO Cc1cc(N2CC[C@@H]([C@H]3CCOC3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000374664851 280569985 /nfs/dbraw/zinc/56/99/85/280569985.db2.gz QZYUFGVNDCSXEH-KGLIPLIRSA-N 1 0 327.384 3.314 20 5 EGBDRO Cc1cnc(N2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000413533336 309036250 /nfs/dbraw/zinc/03/62/50/309036250.db2.gz PTJMHXXSCITJBA-HNNXBMFYSA-N 1 0 326.400 3.009 20 5 EGBDRO CC[NH+](CC)[C@@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000067507608 307366001 /nfs/dbraw/zinc/36/60/01/307366001.db2.gz BMNSTMINABZFFI-HNNXBMFYSA-N 1 0 346.387 3.392 20 5 EGBDRO C[NH+](C)CCN(CC1CCCCC1)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000072034682 307378815 /nfs/dbraw/zinc/37/88/15/307378815.db2.gz BIFFZNALNSZDLV-UHFFFAOYSA-N 1 0 347.459 3.108 20 5 EGBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H]2CCCC[C@H]2Cc2ccccc2)c1 ZINC000119118958 307491219 /nfs/dbraw/zinc/49/12/19/307491219.db2.gz PKZVZAPSUBADCE-WMZOPIPTSA-N 1 0 328.416 3.182 20 5 EGBDRO CC[NH+](CC)CCN(CCC(F)(F)F)c1ncc(C)cc1[N+](=O)[O-] ZINC000135132769 307698497 /nfs/dbraw/zinc/69/84/97/307698497.db2.gz VWOFGFVGNVNITC-UHFFFAOYSA-N 1 0 348.369 3.399 20 5 EGBDRO CC(C)(C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)OCC1CC1 ZINC000414252191 309068859 /nfs/dbraw/zinc/06/88/59/309068859.db2.gz CPEBZNVSIAVAKS-CABCVRRESA-N 1 0 336.436 3.070 20 5 EGBDRO CO[C@@]1(C)C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1(C)C ZINC000237161477 307944553 /nfs/dbraw/zinc/94/45/53/307944553.db2.gz POWJQWSZFVUCQD-BBRMVZONSA-N 1 0 344.358 3.489 20 5 EGBDRO O=[N+]([O-])c1ccc2nc(N3CC[C@@H](C[NH+]4CCCC4)C3)ccc2c1 ZINC000293026720 308091531 /nfs/dbraw/zinc/09/15/31/308091531.db2.gz JNZRGXVLSLJOEH-AWEZNQCLSA-N 1 0 326.400 3.065 20 5 EGBDRO C[NH+](C)CCCOC1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000293075844 308096954 /nfs/dbraw/zinc/09/69/54/308096954.db2.gz NSAQOTNBQSCMPX-UHFFFAOYSA-N 1 0 341.839 3.185 20 5 EGBDRO COc1ccc(-c2ccc(C[N@H+]3C[C@H](O)C[C@H](C)C3)o2)c([N+](=O)[O-])c1 ZINC000414527142 309086424 /nfs/dbraw/zinc/08/64/24/309086424.db2.gz QQFZNFHQGDMKIC-QWHCGFSZSA-N 1 0 346.383 3.066 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](CO)c2ccc(F)cc2)c(Cl)c1 ZINC000414536543 309087102 /nfs/dbraw/zinc/08/71/02/309087102.db2.gz XULPECNJVXPDNX-CYBMUJFWSA-N 1 0 338.766 3.253 20 5 EGBDRO COC(=O)[C@]1(C)CCC[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000414560800 309089358 /nfs/dbraw/zinc/08/93/58/309089358.db2.gz RDXMCURDVZZSQP-PMXLPMHFSA-N 1 0 332.400 3.273 20 5 EGBDRO Cc1cnccc1C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000295003010 308280435 /nfs/dbraw/zinc/28/04/35/308280435.db2.gz YVTJQVQXDIHDHI-UHFFFAOYSA-N 1 0 327.384 3.342 20 5 EGBDRO CC[NH+](CC)[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)C1 ZINC000295085320 308289436 /nfs/dbraw/zinc/28/94/36/308289436.db2.gz WCBPSPFXLYZYSE-LBPRGKRZSA-N 1 0 339.823 3.113 20 5 EGBDRO CC[C@@H](COCC(F)(F)F)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000295195953 308301610 /nfs/dbraw/zinc/30/16/10/308301610.db2.gz XZLMKXXSPDHFEY-NSHDSACASA-N 1 0 336.310 3.051 20 5 EGBDRO Cc1cc(Cl)c(C(=O)NC2CC[NH+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000295243613 308306766 /nfs/dbraw/zinc/30/67/66/308306766.db2.gz SYIHJXRVUVVRCT-UHFFFAOYSA-N 1 0 339.823 3.159 20 5 EGBDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000295631351 308345176 /nfs/dbraw/zinc/34/51/76/308345176.db2.gz BWAQNTIOUAGDOT-SNVBAGLBSA-N 1 0 347.337 3.072 20 5 EGBDRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000414718187 309097259 /nfs/dbraw/zinc/09/72/59/309097259.db2.gz YUFNLTCOZVJDIZ-HNNXBMFYSA-N 1 0 342.399 3.287 20 5 EGBDRO CC(C)[NH+](CCNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000296813908 308469689 /nfs/dbraw/zinc/46/96/89/308469689.db2.gz MDJKWCUPNOVJOP-AWEZNQCLSA-N 1 0 336.436 3.074 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000298175652 308590346 /nfs/dbraw/zinc/59/03/46/308590346.db2.gz VOGPEPKAUYGHMQ-UHFFFAOYSA-N 1 0 333.432 3.288 20 5 EGBDRO COc1cc(CNc2ccc([C@@H](C)[NH3+])cc2)c([N+](=O)[O-])cc1OC ZINC000414814826 309103376 /nfs/dbraw/zinc/10/33/76/309103376.db2.gz SKVHIUBMQMFEIU-LLVKDONJSA-N 1 0 331.372 3.244 20 5 EGBDRO Cc1nc(N(C)C2CC[NH+](Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000301668270 308709977 /nfs/dbraw/zinc/70/99/77/308709977.db2.gz PFOHRBVFEKLVLW-UHFFFAOYSA-N 1 0 340.427 3.399 20 5 EGBDRO C[C@@H](Nc1c(Br)cncc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000301871830 308719412 /nfs/dbraw/zinc/71/94/12/308719412.db2.gz HLQCMHMSIAISCJ-SECBINFHSA-N 1 0 345.241 3.141 20 5 EGBDRO Cc1cc(NC[C@@H](C)Cn2cccn2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302136861 308730269 /nfs/dbraw/zinc/73/02/69/308730269.db2.gz DKJAXYSXNJGOKL-GFCCVEGCSA-N 1 0 325.372 3.396 20 5 EGBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](C3CC3)CC2)c(OC(F)F)c1 ZINC000302152904 308731123 /nfs/dbraw/zinc/73/11/23/308731123.db2.gz LHHIJHCDUDJXAW-UHFFFAOYSA-N 1 0 327.331 3.235 20 5 EGBDRO CC[NH+]1CCN(c2cccc(Nc3ncc([N+](=O)[O-])cc3C)c2)CC1 ZINC000302291179 308735595 /nfs/dbraw/zinc/73/55/95/308735595.db2.gz WQAYQJKIUYQJFN-UHFFFAOYSA-N 1 0 341.415 3.184 20 5 EGBDRO Cc1nc(C)c(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)s1 ZINC000331608253 308811967 /nfs/dbraw/zinc/81/19/67/308811967.db2.gz MBTBQRCOEMELAN-QWHCGFSZSA-N 1 0 335.433 3.138 20 5 EGBDRO CO[C@@](C)([C@@H](C)[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C1CC1 ZINC000411968489 308959845 /nfs/dbraw/zinc/95/98/45/308959845.db2.gz JUXBQBIUHNLMGC-ACJLOTCBSA-N 1 0 349.431 3.025 20 5 EGBDRO O=[N+]([O-])c1cnc(NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)c(F)c1 ZINC000413121857 309017165 /nfs/dbraw/zinc/01/71/65/309017165.db2.gz XMQLGVFWUBVWRT-HNNXBMFYSA-N 1 0 344.390 3.105 20 5 EGBDRO C[C@@H]1[C@@H](Nc2ncc([N+](=O)[O-])cc2F)CC[N@@H+]1Cc1ccccc1 ZINC000413291731 309025363 /nfs/dbraw/zinc/02/53/63/309025363.db2.gz CKVYZVYQQLIOBO-WBMJQRKESA-N 1 0 330.363 3.204 20 5 EGBDRO CN(c1ccccc1)c1ccc(CNC[C@@H]([NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000414892611 309107811 /nfs/dbraw/zinc/10/78/11/309107811.db2.gz QHCJBOPMWRISIS-QGZVFWFLSA-N 1 0 340.427 3.190 20 5 EGBDRO C[C@@]1(CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCC[NH2+]C1 ZINC000414905530 309108570 /nfs/dbraw/zinc/10/85/70/309108570.db2.gz LKNCXBZSEKZMNY-QGZVFWFLSA-N 1 0 346.456 3.198 20 5 EGBDRO C[C@@H](C[NH3+])NCc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000414939452 309110355 /nfs/dbraw/zinc/11/03/55/309110355.db2.gz GFIHZNRSTNCOED-NSHDSACASA-N 1 0 335.791 3.477 20 5 EGBDRO CC1(C)C[NH2+]CC[C@@H]1NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000414982179 309112799 /nfs/dbraw/zinc/11/27/99/309112799.db2.gz YPAYTQOHCUMMJA-KRWDZBQOSA-N 1 0 329.400 3.333 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1CNC[C@H]([NH3+])c1ccccc1CC ZINC000415063035 309117819 /nfs/dbraw/zinc/11/78/19/309117819.db2.gz GQMIXUCYJBATLL-SFHVURJKSA-N 1 0 343.427 3.346 20 5 EGBDRO C[NH2+]CCC1CCN(C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)CC1 ZINC000415587274 309137554 /nfs/dbraw/zinc/13/75/54/309137554.db2.gz WLUVKESQFAJNTG-UHFFFAOYSA-N 1 0 334.420 3.065 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000415764489 309143413 /nfs/dbraw/zinc/14/34/13/309143413.db2.gz PKONLJRLXUBENQ-OAHLLOKOSA-N 1 0 346.431 3.011 20 5 EGBDRO Cn1cc(CCC[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)cn1 ZINC000417309509 309201089 /nfs/dbraw/zinc/20/10/89/309201089.db2.gz DZIXDHVLBIXIDI-GOSISDBHSA-N 1 0 328.416 3.318 20 5 EGBDRO Cc1c([C@@H](C)[NH2+]CC(C)(C)C2(O)CCOCC2)cccc1[N+](=O)[O-] ZINC000417384954 309203797 /nfs/dbraw/zinc/20/37/97/309203797.db2.gz QREAJHIOABFUPF-CQSZACIVSA-N 1 0 336.432 3.122 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2C(=O)N(C)C)cc1[N+](=O)[O-] ZINC000417965072 309229898 /nfs/dbraw/zinc/22/98/98/309229898.db2.gz QZHKOOFBRISGJM-CQSZACIVSA-N 1 0 341.411 3.456 20 5 EGBDRO CO[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)CC(C)C ZINC000418101582 309235531 /nfs/dbraw/zinc/23/55/31/309235531.db2.gz QEJHHNYHQVFUND-KRWDZBQOSA-N 1 0 346.431 3.146 20 5 EGBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000420385252 309285645 /nfs/dbraw/zinc/28/56/45/309285645.db2.gz HGRAHIVISZEHOP-OAUYIBNBSA-N 1 0 329.375 3.222 20 5 EGBDRO COc1ccc(NC(=O)C[N@@H+]2CC[C@@H](C3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000420964436 309304639 /nfs/dbraw/zinc/30/46/39/309304639.db2.gz PMJAWMPLYIHFGS-CQSZACIVSA-N 1 0 347.415 3.054 20 5 EGBDRO CN(Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C[C@H]1CCC[N@@H+]1C ZINC000420997335 309306495 /nfs/dbraw/zinc/30/64/95/309306495.db2.gz LCHVBBXLSZKPKJ-CYBMUJFWSA-N 1 0 331.338 3.140 20 5 EGBDRO C[C@H]1C[C@H](CO)C[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000421363509 309320312 /nfs/dbraw/zinc/32/03/12/309320312.db2.gz PROIHXHNIVYBQR-KBPBESRZSA-N 1 0 330.384 3.305 20 5 EGBDRO C[C@@H]1C[C@H](CO)C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000421369128 309321045 /nfs/dbraw/zinc/32/10/45/309321045.db2.gz XWBCWKDRARUVFU-KGLIPLIRSA-N 1 0 330.384 3.305 20 5 EGBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])c(C)cc2C)C[C@H]1C ZINC000421777086 309339732 /nfs/dbraw/zinc/33/97/32/309339732.db2.gz XCGVPRHUVZFJDQ-CABCVRRESA-N 1 0 333.432 3.156 20 5 EGBDRO Cc1cc(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc(C)n1 ZINC000421853135 309343540 /nfs/dbraw/zinc/34/35/40/309343540.db2.gz IPCUHRXTNLYQBI-JKSUJKDBSA-N 1 0 329.404 3.077 20 5 EGBDRO C[NH2+]CCC1CCN(C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000423489573 309402661 /nfs/dbraw/zinc/40/26/61/309402661.db2.gz GJZLUUAOUNLYSI-UHFFFAOYSA-N 1 0 333.432 3.180 20 5 EGBDRO CC(C)c1ccc(C(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000424056724 309427683 /nfs/dbraw/zinc/42/76/83/309427683.db2.gz CEXCFGQGSIGBQG-NFAWXSAZSA-N 1 0 333.432 3.164 20 5 EGBDRO C[C@@H](CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000429855495 309591567 /nfs/dbraw/zinc/59/15/67/309591567.db2.gz CQOYGGMOWOXDTF-HNNXBMFYSA-N 1 0 347.459 3.111 20 5 EGBDRO O=C(C[C@@H]1CCC[NH2+]1)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000430385978 309606977 /nfs/dbraw/zinc/60/69/77/309606977.db2.gz OVSQXOHJZBOECA-ZDUSSCGKSA-N 1 0 341.367 3.468 20 5 EGBDRO Cc1ccc(C[NH2+]C[C@@H]2Cc3ccccc3N(C)C2)cc1[N+](=O)[O-] ZINC000436376631 309754038 /nfs/dbraw/zinc/75/40/38/309754038.db2.gz CIASWOHDULMFOY-INIZCTEOSA-N 1 0 325.412 3.302 20 5 EGBDRO C[C@@H](Nc1cc(C(F)(F)F)ncc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000436398731 309754618 /nfs/dbraw/zinc/75/46/18/309754618.db2.gz AQJPPDHKAFOYLP-SECBINFHSA-N 1 0 334.342 3.397 20 5 EGBDRO C[NH+](C)CCc1ccccc1NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000437917931 309803167 /nfs/dbraw/zinc/80/31/67/309803167.db2.gz VGRCTLASQONABY-UHFFFAOYSA-N 1 0 346.362 3.482 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@]1(CO)CCCc2ccccc21 ZINC000441372049 309869937 /nfs/dbraw/zinc/86/99/37/309869937.db2.gz WOQVNQGPFZKBNI-GFWYJJLOSA-N 1 0 338.407 3.422 20 5 EGBDRO CC(C)[C@H](CC(F)(F)F)[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000445898954 309951171 /nfs/dbraw/zinc/95/11/71/309951171.db2.gz KEHLZWBPRLMRMK-NSHDSACASA-N 1 0 333.310 3.100 20 5 EGBDRO Cc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)cc1[N+](=O)[O-] ZINC000448375287 310003420 /nfs/dbraw/zinc/00/34/20/310003420.db2.gz MOSQJVFELHBWLS-HNNXBMFYSA-N 1 0 348.447 3.393 20 5 EGBDRO COc1ccc(-c2ccc(C[NH2+]CC[C@H](C)CCO)o2)c([N+](=O)[O-])c1 ZINC000449356400 310056226 /nfs/dbraw/zinc/05/62/26/310056226.db2.gz HOLXYDVORBIGSO-ZDUSSCGKSA-N 1 0 348.399 3.362 20 5 EGBDRO COCC(COC)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000449544235 310070482 /nfs/dbraw/zinc/07/04/82/310070482.db2.gz PZBAHVXMXMDJRB-UHFFFAOYSA-N 1 0 336.413 3.074 20 5 EGBDRO Cc1ccc([C@@H](CNc2ncc([N+](=O)[O-])c(C)n2)[NH+]2CCCC2)cc1 ZINC000450286014 310113378 /nfs/dbraw/zinc/11/33/78/310113378.db2.gz GSTCLRTUZHGOSY-QGZVFWFLSA-N 1 0 341.415 3.251 20 5 EGBDRO C[C@@H]1CN(c2nc3ccccc3cc2[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000450546110 310129270 /nfs/dbraw/zinc/12/92/70/310129270.db2.gz DTKQDNUCYLEQFP-ZDUSSCGKSA-N 1 0 326.400 3.064 20 5 EGBDRO CC(C)(C)[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000450571630 310130714 /nfs/dbraw/zinc/13/07/14/310130714.db2.gz RESKKCURGUAPPB-AWEZNQCLSA-N 1 0 342.399 3.289 20 5 EGBDRO C[C@H](c1ccccc1)[C@@H](O)C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000450975756 310153139 /nfs/dbraw/zinc/15/31/39/310153139.db2.gz PFRZEGPHQXAXMH-BEFAXECRSA-N 1 0 328.412 3.234 20 5 EGBDRO Cc1cccc(C)c1OC[C@H](O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000451109766 310161176 /nfs/dbraw/zinc/16/11/76/310161176.db2.gz ZABVZTFHZLAMOH-MAUKXSAKSA-N 1 0 344.411 3.302 20 5 EGBDRO CCO[C@H]1C[C@@H]([NH2+]Cc2c(F)cc([N+](=O)[O-])cc2F)C12CCC2 ZINC000451477388 310180210 /nfs/dbraw/zinc/18/02/10/310180210.db2.gz HTOJVWHQZGSHBU-CABCVRRESA-N 1 0 326.343 3.310 20 5 EGBDRO CO[C@@H]1C[C@H]([NH2+]CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1(C)C ZINC000451502022 310181536 /nfs/dbraw/zinc/18/15/36/310181536.db2.gz PGEABNSGYJIEPM-JKSUJKDBSA-N 1 0 345.399 3.195 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H]1C[C@@H](OC(C)C)C1(C)C ZINC000451508481 310181914 /nfs/dbraw/zinc/18/19/14/310181914.db2.gz XHSJWYODXDNAHB-JKSUJKDBSA-N 1 0 349.431 3.023 20 5 EGBDRO C[C@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451549210 310185377 /nfs/dbraw/zinc/18/53/77/310185377.db2.gz PEJIBUSZAQBODJ-DOTOQJQBSA-N 1 0 345.443 3.175 20 5 EGBDRO CC1CCN(C(=O)C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000451553628 310185905 /nfs/dbraw/zinc/18/59/05/310185905.db2.gz YFEHXZJVDICAAA-QGZVFWFLSA-N 1 0 345.443 3.033 20 5 EGBDRO C[C@H]1CCCN(C(=O)C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000451559580 310186598 /nfs/dbraw/zinc/18/65/98/310186598.db2.gz HHENQPSHHWIUSW-DOTOQJQBSA-N 1 0 345.443 3.033 20 5 EGBDRO COc1cc(C[N@@H+](C)[C@@H]2C[C@H](OC)C23CCC3)c([N+](=O)[O-])cc1F ZINC000451854390 310200433 /nfs/dbraw/zinc/20/04/33/310200433.db2.gz QGNMWXYKBMGOQZ-CVEARBPZSA-N 1 0 338.379 3.132 20 5 EGBDRO CC(C)OCCOC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000451954304 310204795 /nfs/dbraw/zinc/20/47/95/310204795.db2.gz XFMAQKHECFNDJY-UHFFFAOYSA-N 1 0 336.432 3.043 20 5 EGBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@]2(CCSC2)C1 ZINC000451959526 310205224 /nfs/dbraw/zinc/20/52/24/310205224.db2.gz BBZMTCWMTZOHEN-SUMWQHHRSA-N 1 0 349.456 3.141 20 5 EGBDRO CCO[C@@H]1CCCC[C@H]1[NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000452038775 310208795 /nfs/dbraw/zinc/20/87/95/310208795.db2.gz YIFIHILOMVMINO-NVXWUHKLSA-N 1 0 349.431 3.169 20 5 EGBDRO CCO[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000452053345 310209528 /nfs/dbraw/zinc/20/95/28/310209528.db2.gz OYRKCEVXJLBVSA-UKRRQHHQSA-N 1 0 326.368 3.180 20 5 EGBDRO COc1ccc2c(c1)C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)CO2 ZINC000453208934 310264258 /nfs/dbraw/zinc/26/42/58/310264258.db2.gz KNVMEKKXAQZUEA-OAHLLOKOSA-N 1 0 328.368 3.005 20 5 EGBDRO COCC1(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCCC1 ZINC000453382077 310273841 /nfs/dbraw/zinc/27/38/41/310273841.db2.gz LGVLSGURHWCZPB-LSDHHAIUSA-N 1 0 336.436 3.071 20 5 EGBDRO CCNC(=O)C(C)(C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000453602356 310283789 /nfs/dbraw/zinc/28/37/89/310283789.db2.gz JMXYTSUPZRATKO-UHFFFAOYSA-N 1 0 347.440 3.328 20 5 EGBDRO COc1cccc2c1C[C@H]([NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])C2 ZINC000459726687 310571205 /nfs/dbraw/zinc/57/12/05/310571205.db2.gz MCFYZWQNSGNAOR-CZUORRHYSA-N 1 0 326.396 3.291 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC2([NH+](C)C)CCCCCC2)c1 ZINC000460793276 310585926 /nfs/dbraw/zinc/58/59/26/310585926.db2.gz NVWHJNRCEGJZDE-UHFFFAOYSA-N 1 0 333.432 3.288 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H](CO)Cc1cccc(C)c1 ZINC000468611092 310691122 /nfs/dbraw/zinc/69/11/22/310691122.db2.gz UTDOTUFULDAXEI-XLCPLWEUSA-N 1 0 340.423 3.500 20 5 EGBDRO CC[C@H](C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])[NH+](CC)CC ZINC000479423336 310874640 /nfs/dbraw/zinc/87/46/40/310874640.db2.gz LNQATBATLQMERN-CQSZACIVSA-N 1 0 341.839 3.027 20 5 EGBDRO C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000481097826 310905984 /nfs/dbraw/zinc/90/59/84/310905984.db2.gz BITXBZPVOMUNPS-BBRMVZONSA-N 1 0 333.432 3.362 20 5 EGBDRO CO[C@H]1C[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C[C@@H]1OC ZINC000488585251 311072180 /nfs/dbraw/zinc/07/21/80/311072180.db2.gz SXJUCJOKPIEQBF-HOTGVXAUSA-N 1 0 348.424 3.169 20 5 EGBDRO CCN(C)c1ccc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])cn1 ZINC000492192814 311225546 /nfs/dbraw/zinc/22/55/46/311225546.db2.gz JWVQTUWHKBBTPS-UHFFFAOYSA-N 1 0 328.416 3.471 20 5 EGBDRO C[S@](=O)c1ccc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])cc1 ZINC000492196292 311225577 /nfs/dbraw/zinc/22/55/77/311225577.db2.gz YLXZBFZWALQLTA-QHCPKHFHSA-N 1 0 332.425 3.357 20 5 EGBDRO Cn1nnc2cc(C[N@H+](Cc3cccc([N+](=O)[O-])c3)C3CC3)ccc21 ZINC000507170134 312061628 /nfs/dbraw/zinc/06/16/28/312061628.db2.gz ZHNQHTMLSXAOAC-UHFFFAOYSA-N 1 0 337.383 3.041 20 5 EGBDRO O=[N+]([O-])c1cc(F)c(C[NH2+][C@@H](CCO)C2CCCCC2)c(F)c1 ZINC000508992542 312107064 /nfs/dbraw/zinc/10/70/64/312107064.db2.gz VRNRHACBUSNLQJ-INIZCTEOSA-N 1 0 328.359 3.294 20 5 EGBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](C)c1ccncc1F ZINC000510977167 312152073 /nfs/dbraw/zinc/15/20/73/312152073.db2.gz PDXMXBPCZZTWKH-NEPJUHHUSA-N 1 0 346.362 3.197 20 5 EGBDRO COC(=O)c1ccc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])c(F)c1 ZINC000511109379 312154898 /nfs/dbraw/zinc/15/48/98/312154898.db2.gz UGBBOQBTPNFVDP-UHFFFAOYSA-N 1 0 346.358 3.195 20 5 EGBDRO C[NH+](C)CCOc1ccc(CCNc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000511393964 312159609 /nfs/dbraw/zinc/15/96/09/312159609.db2.gz LQCIQTLLSZSBOT-UHFFFAOYSA-N 1 0 347.390 3.329 20 5 EGBDRO Cc1cc(N2CC[NH+](CCc3cccs3)CC2)ccc1[N+](=O)[O-] ZINC000514196793 312227425 /nfs/dbraw/zinc/22/74/25/312227425.db2.gz CLHGKDSNFWFQLA-UHFFFAOYSA-N 1 0 331.441 3.329 20 5 EGBDRO C[N@@H+](Cc1cc(I)cc([N+](=O)[O-])c1)CC1CC1 ZINC000517783964 312393813 /nfs/dbraw/zinc/39/38/13/312393813.db2.gz DMZCJXHDSGMMMQ-UHFFFAOYSA-N 1 0 346.168 3.041 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H](CO)Cc1ccccc1 ZINC000531953173 313735375 /nfs/dbraw/zinc/73/53/75/313735375.db2.gz WQUMLZFCLNIGGU-NVXWUHKLSA-N 1 0 328.412 3.405 20 5 EGBDRO COC(=O)[C@@H]1CCCC[C@]1(C)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000538380772 314243153 /nfs/dbraw/zinc/24/31/53/314243153.db2.gz PYHQDMBDGKQELJ-BBRMVZONSA-N 1 0 340.807 3.460 20 5 EGBDRO CC[C@@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)C(C)(C)C ZINC000538390999 314243542 /nfs/dbraw/zinc/24/35/42/314243542.db2.gz IKPXPQHKZZQCHP-OAHLLOKOSA-N 1 0 337.420 3.346 20 5 EGBDRO C[C@@H](Cc1ccsc1)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000542152619 314520730 /nfs/dbraw/zinc/52/07/30/314520730.db2.gz ILXKXRAYKUVYAB-AWEZNQCLSA-N 1 0 331.441 3.410 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1ccc2c(c1)C(=O)NCC2 ZINC000543595143 314638975 /nfs/dbraw/zinc/63/89/75/314638975.db2.gz LETHOWGVYULHKR-ZDUSSCGKSA-N 1 0 339.395 3.040 20 5 EGBDRO C[C@@H]1CCC[C@]1(O)C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000552406628 315218473 /nfs/dbraw/zinc/21/84/73/315218473.db2.gz HIPHQFLEYSVDOD-GFIVTLFCSA-N 1 0 332.444 3.447 20 5 EGBDRO CCN(CC[NH+]1CCCCCC1)c1ccc([N+](=O)[O-])c(C(C)=O)c1 ZINC000561435628 315762267 /nfs/dbraw/zinc/76/22/67/315762267.db2.gz YEHZZKWDXSBRLZ-UHFFFAOYSA-N 1 0 333.432 3.500 20 5 EGBDRO Cc1ccc([C@@H](C)C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000562995710 315937933 /nfs/dbraw/zinc/93/79/33/315937933.db2.gz LTFJREUBBFVUEW-RDJZCZTQSA-N 1 0 344.411 3.036 20 5 EGBDRO COc1cc(C[NH2+][C@H]2CCC2(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000565502686 316332331 /nfs/dbraw/zinc/33/23/31/316332331.db2.gz HBEQZZZETJLKBN-ZDUSSCGKSA-N 1 0 330.331 3.483 20 5 EGBDRO CN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)[C@H]1CC[NH2+]C1 ZINC000566973910 316551848 /nfs/dbraw/zinc/55/18/48/316551848.db2.gz QQELEIVUWMNOFJ-LBPRGKRZSA-N 1 0 335.791 3.302 20 5 EGBDRO C[C@H](C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000567207912 316582999 /nfs/dbraw/zinc/58/29/99/316582999.db2.gz UUMJCGLQUSGWGX-VCBZYWHSSA-N 1 0 347.459 3.325 20 5 EGBDRO Cn1c2ccccc2cc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])c1=O ZINC000570107576 317008839 /nfs/dbraw/zinc/00/88/39/317008839.db2.gz SBBMUQONTHSEPD-KRWDZBQOSA-N 1 0 349.390 3.224 20 5 EGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@H]1CCN(Cc2ccccc2)C1 ZINC000570293716 317035625 /nfs/dbraw/zinc/03/56/25/317035625.db2.gz WRJJNVWWFMNSIF-QFBILLFUSA-N 1 0 337.423 3.446 20 5 EGBDRO C[NH+](C)CCN(c1nc2ccccc2cc1[N+](=O)[O-])C1CCCC1 ZINC000573381378 317477504 /nfs/dbraw/zinc/47/75/04/317477504.db2.gz BBNPRLMGTXIGLO-UHFFFAOYSA-N 1 0 328.416 3.454 20 5 EGBDRO CC(C)(C)[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1F ZINC000181614310 323492900 /nfs/dbraw/zinc/49/29/00/323492900.db2.gz RUZUWJFESITNHY-HNNXBMFYSA-N 1 0 338.358 3.447 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1CCC[C@H](C)[C@H]1C ZINC000192803734 323826585 /nfs/dbraw/zinc/82/65/85/323826585.db2.gz BZRBOKYDWNRUSJ-GZBFAFLISA-N 1 0 349.431 3.346 20 5 EGBDRO CC(C)(C)OC(=O)NC[C@H]1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000382449987 324250544 /nfs/dbraw/zinc/25/05/44/324250544.db2.gz MGZYKLVTOMUCET-GJZGRUSLSA-N 1 0 349.431 3.378 20 5 EGBDRO CC(C)(C)OC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000382449995 324250555 /nfs/dbraw/zinc/25/05/55/324250555.db2.gz MGZYKLVTOMUCET-LSDHHAIUSA-N 1 0 349.431 3.378 20 5 EGBDRO C[C@H](CC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccccc1 ZINC000579196045 325074593 /nfs/dbraw/zinc/07/45/93/325074593.db2.gz XTDIWLQWBHGGCS-MRXNPFEDSA-N 1 0 340.427 3.306 20 5 EGBDRO CO[C@]1(C)C[C@H]([N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1(C)C ZINC000579551113 325124563 /nfs/dbraw/zinc/12/45/63/325124563.db2.gz CDAYNVSDGWPGPC-WMLDXEAASA-N 1 0 332.404 3.107 20 5 EGBDRO CCNC(=O)c1cccc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000580449024 325252757 /nfs/dbraw/zinc/25/27/57/325252757.db2.gz CSFNDXMQCWDSOS-KRWDZBQOSA-N 1 0 339.395 3.122 20 5 EGBDRO CCNC(=O)c1cccc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000580449025 325253093 /nfs/dbraw/zinc/25/30/93/325253093.db2.gz CSFNDXMQCWDSOS-QGZVFWFLSA-N 1 0 339.395 3.122 20 5 EGBDRO CCCC[C@H](C)[N@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000580501297 325256813 /nfs/dbraw/zinc/25/68/13/325256813.db2.gz WOFHZHMNKRCYKQ-ZDUSSCGKSA-N 1 0 335.404 3.403 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000581192035 325339994 /nfs/dbraw/zinc/33/99/94/325339994.db2.gz IDSKHTYDHFURFP-OAHLLOKOSA-N 1 0 347.459 3.322 20 5 EGBDRO CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000581210061 325341889 /nfs/dbraw/zinc/34/18/89/325341889.db2.gz VFFUKWOPAWNTPS-YOEHRIQHSA-N 1 0 333.432 3.031 20 5 EGBDRO Cc1ccc(C[C@H](CO)[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000581260659 325347075 /nfs/dbraw/zinc/34/70/75/325347075.db2.gz KJIHCATWYJFLNP-QAPCUYQASA-N 1 0 326.396 3.084 20 5 EGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C2Cc3ccccc3C2)n1 ZINC000583479943 325527525 /nfs/dbraw/zinc/52/75/25/325527525.db2.gz RLWZPGLVHUUXPL-DLBZAZTESA-N 1 0 326.400 3.032 20 5 EGBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000173108604 455233228 /nfs/dbraw/zinc/23/32/28/455233228.db2.gz XVSKHOWSCOZOSU-HZPDHXFCSA-N 1 0 347.459 3.012 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3CCC[C@H]3CCO)o2)cc1 ZINC000189978145 455265226 /nfs/dbraw/zinc/26/52/26/455265226.db2.gz CPRRZANJKPCGNP-SUMWQHHRSA-N 1 0 330.384 3.496 20 5 EGBDRO C[NH+](C)CC1(CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCCC1 ZINC000183303259 455274588 /nfs/dbraw/zinc/27/45/88/455274588.db2.gz UTUOKUNBMSMYDA-UHFFFAOYSA-N 1 0 339.823 3.100 20 5 EGBDRO COc1ccc2c(c1)CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)C2 ZINC000612194023 460563785 /nfs/dbraw/zinc/56/37/85/460563785.db2.gz JRKSCJXANCGGBE-OAHLLOKOSA-N 1 0 330.359 3.390 20 5 EGBDRO C[NH+](C)[C@@H](CNc1nc2sccn2c1[N+](=O)[O-])c1ccccc1 ZINC000008318264 453189742 /nfs/dbraw/zinc/18/97/42/453189742.db2.gz UYLXRKBRBMTXIK-LBPRGKRZSA-N 1 0 331.401 3.019 20 5 EGBDRO COCCC[NH+]1CCC(N[C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000159132661 455355142 /nfs/dbraw/zinc/35/51/42/455355142.db2.gz SBZLJBIPMOUZOJ-OAHLLOKOSA-N 1 0 335.448 3.055 20 5 EGBDRO COC(=O)c1ccc(-c2ccc3c(c2)C[NH2+][C@H](C)C3)c([N+](=O)[O-])c1 ZINC000600783599 460603651 /nfs/dbraw/zinc/60/36/51/460603651.db2.gz FMUCJACNGUGWGR-LLVKDONJSA-N 1 0 326.352 3.083 20 5 EGBDRO COC(=O)c1cc(-c2cccc(C[NH2+]C3CC3)c2)cc([N+](=O)[O-])c1 ZINC000600789153 460605421 /nfs/dbraw/zinc/60/54/21/460605421.db2.gz RVLTXKQHNIANNC-UHFFFAOYSA-N 1 0 326.352 3.300 20 5 EGBDRO Cc1cc(C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000017794529 453637193 /nfs/dbraw/zinc/63/71/93/453637193.db2.gz XSKVXKVPXHBYOG-KRWDZBQOSA-N 1 0 345.374 3.075 20 5 EGBDRO CN(CC[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1)c1ccccc1 ZINC000083171085 453941531 /nfs/dbraw/zinc/94/15/31/453941531.db2.gz QAQUJMUEDLJTTG-UHFFFAOYSA-N 1 0 340.383 3.304 20 5 EGBDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000039395313 453943367 /nfs/dbraw/zinc/94/33/67/453943367.db2.gz QAOGOFWTRYMMPJ-GFCCVEGCSA-N 1 0 341.839 3.489 20 5 EGBDRO CC(C)[C@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000040089286 453947564 /nfs/dbraw/zinc/94/75/64/453947564.db2.gz IGGHNTIUDNJSIY-SFHVURJKSA-N 1 0 347.459 3.010 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000084251336 453980324 /nfs/dbraw/zinc/98/03/24/453980324.db2.gz HCUIYUXOISQQAY-UHFFFAOYSA-N 1 0 347.440 3.169 20 5 EGBDRO C[C@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)[N@H+](C)C1CC1 ZINC000068218408 454008753 /nfs/dbraw/zinc/00/87/53/454008753.db2.gz YIOCCJJJDCZHGT-SNVBAGLBSA-N 1 0 333.413 3.022 20 5 EGBDRO Cc1ccc(CNC(=O)[C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000056196594 454043611 /nfs/dbraw/zinc/04/36/11/454043611.db2.gz GWNABAZVRHEBFA-LSDHHAIUSA-N 1 0 341.411 3.259 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000043149778 454045731 /nfs/dbraw/zinc/04/57/31/454045731.db2.gz RGZKYOFUCHKQCC-AWEZNQCLSA-N 1 0 348.428 3.389 20 5 EGBDRO Cc1c(NC(=O)NCc2cccc(C[NH+](C)C)c2)cccc1[N+](=O)[O-] ZINC000043346481 454057764 /nfs/dbraw/zinc/05/77/64/454057764.db2.gz RJIIRUNLNUXXBZ-UHFFFAOYSA-N 1 0 342.399 3.287 20 5 EGBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1c1ccc([N+](=O)[O-])cn1 ZINC000077236666 454080449 /nfs/dbraw/zinc/08/04/49/454080449.db2.gz PKRQFSKRTGXOMO-OAHLLOKOSA-N 1 0 326.400 3.091 20 5 EGBDRO CC[NH+]1CCC(NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 ZINC000044019884 454086612 /nfs/dbraw/zinc/08/66/12/454086612.db2.gz DWTGGRKALRUSPO-UHFFFAOYSA-N 1 0 333.432 3.106 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C(C)C)C1CCC1 ZINC000077357961 454096701 /nfs/dbraw/zinc/09/67/01/454096701.db2.gz YLJBWBNDUURSHD-UHFFFAOYSA-N 1 0 335.404 3.195 20 5 EGBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000044997587 454131548 /nfs/dbraw/zinc/13/15/48/454131548.db2.gz KMNUOEYQAQMJPC-CYBMUJFWSA-N 1 0 333.413 3.024 20 5 EGBDRO COCCc1nc(C)c([C@@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])s1 ZINC000089512778 454157519 /nfs/dbraw/zinc/15/75/19/454157519.db2.gz WBBMDEYWQKFGLI-LLVKDONJSA-N 1 0 335.429 3.399 20 5 EGBDRO CCc1nn(C)c(NC[C@H](c2ccccc2)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000094131891 454188056 /nfs/dbraw/zinc/18/80/56/454188056.db2.gz GMOGCEVSOFCONW-MRXNPFEDSA-N 1 0 343.431 3.140 20 5 EGBDRO CC[C@@H](NC(=O)C[C@@H]([NH3+])c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000119358312 454189767 /nfs/dbraw/zinc/18/97/67/454189767.db2.gz GRIOOXCXAVYUTQ-IAGOWNOFSA-N 1 0 327.384 3.252 20 5 EGBDRO O=C(Nc1ccn(-c2cc[nH+]cc2)n1)c1ccc([N+](=O)[O-])cc1Cl ZINC000071028225 454194372 /nfs/dbraw/zinc/19/43/72/454194372.db2.gz RRGUTWASKWARKW-UHFFFAOYSA-N 1 0 343.730 3.081 20 5 EGBDRO C[C@H]([NH2+][C@H](CO)Cc1c[nH]c2ccccc12)c1ccc([N+](=O)[O-])cc1 ZINC000095968079 454243043 /nfs/dbraw/zinc/24/30/43/454243043.db2.gz KLHYEFPMIDSMDH-BBRMVZONSA-N 1 0 339.395 3.330 20 5 EGBDRO CC(C)c1ccc(C[NH2+][C@H](CO)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000131547372 454263969 /nfs/dbraw/zinc/26/39/69/454263969.db2.gz ABDLULDKUKAFNW-KRWDZBQOSA-N 1 0 328.412 3.411 20 5 EGBDRO CCC[C@@H]([NH2+][C@H](C)CCN1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000090046595 454265736 /nfs/dbraw/zinc/26/57/36/454265736.db2.gz XAPWDUINJQZYSZ-CRAIPNDOSA-N 1 0 335.448 3.136 20 5 EGBDRO Cc1nccn1CCCN(C)c1ccc([N+](=O)[O-])c2cnccc21 ZINC000120218971 454273317 /nfs/dbraw/zinc/27/33/17/454273317.db2.gz HXVHLCJUJQBOKN-UHFFFAOYSA-N 1 0 325.372 3.174 20 5 EGBDRO CC[N@H+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C1 ZINC000090100590 454279384 /nfs/dbraw/zinc/27/93/84/454279384.db2.gz ZNDXTDUGPAHFCU-OAHLLOKOSA-N 1 0 340.427 3.435 20 5 EGBDRO CC1CC[NH+]([C@H](CNc2c([N+](=O)[O-])ncn2C)c2ccccc2)CC1 ZINC000060451879 454291248 /nfs/dbraw/zinc/29/12/48/454291248.db2.gz AVGQFHGKSBFLRT-MRXNPFEDSA-N 1 0 343.431 3.213 20 5 EGBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000078650826 454292373 /nfs/dbraw/zinc/29/23/73/454292373.db2.gz VCVXTEQELZURMB-GFCCVEGCSA-N 1 0 339.823 3.098 20 5 EGBDRO Cc1c(C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000046989280 454311666 /nfs/dbraw/zinc/31/16/66/454311666.db2.gz SWECJCJZMQGXRQ-AWEZNQCLSA-N 1 0 333.432 3.288 20 5 EGBDRO CC[C@@H](Cc1ccccc1)[N@H+](CC)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090552307 454319410 /nfs/dbraw/zinc/31/94/10/454319410.db2.gz VPIWOAUCIOJYTB-KRWDZBQOSA-N 1 0 343.427 3.100 20 5 EGBDRO Cc1cccc([C@H]2CCC[N@@H+]2CCn2cc([N+](=O)[O-])ccc2=O)c1C ZINC000090550461 454320073 /nfs/dbraw/zinc/32/00/73/454320073.db2.gz HFZQZQLVSNZVFG-GOSISDBHSA-N 1 0 341.411 3.210 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000072769253 454337273 /nfs/dbraw/zinc/33/72/73/454337273.db2.gz ZBRCUILEQBXOHK-BETUJISGSA-N 1 0 337.445 3.058 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000047323326 454357501 /nfs/dbraw/zinc/35/75/01/454357501.db2.gz LKZNRTISULYTTK-UHFFFAOYSA-N 1 0 346.431 3.385 20 5 EGBDRO CCSCC[C@H](C)[N@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000072901596 454361729 /nfs/dbraw/zinc/36/17/29/454361729.db2.gz FTXBROSNQQQNEU-ZDUSSCGKSA-N 1 0 339.461 3.305 20 5 EGBDRO Cc1nc(C(C)C)sc1[C@@H](C)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000121046746 454383265 /nfs/dbraw/zinc/38/32/65/454383265.db2.gz BSQQUKPKBNCNBP-GFCCVEGCSA-N 1 0 337.449 3.373 20 5 EGBDRO CC[C@H](CSC)[N@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000091099685 454384767 /nfs/dbraw/zinc/38/47/67/454384767.db2.gz RFWKMIHMHYFQEK-GFCCVEGCSA-N 1 0 336.417 3.218 20 5 EGBDRO C[N@@H+]1CCC[C@H]2CN(c3ccc([N+](=O)[O-])c4cnccc43)CC[C@@H]21 ZINC000133658757 454452029 /nfs/dbraw/zinc/45/20/29/454452029.db2.gz CTADJMWEHSZARE-BBRMVZONSA-N 1 0 326.400 3.064 20 5 EGBDRO CC(C)(C)OC(=O)N[C@@H](C[NH2+]Cc1csc([N+](=O)[O-])c1)C1CC1 ZINC000133706396 454457933 /nfs/dbraw/zinc/45/79/33/454457933.db2.gz PXZLBCIXDQWCGL-LBPRGKRZSA-N 1 0 341.433 3.049 20 5 EGBDRO COc1ccc(-c2ccc(C[N@H+]3CCC[C@H](OC)C3)o2)c([N+](=O)[O-])c1 ZINC000091772580 454469781 /nfs/dbraw/zinc/46/97/81/454469781.db2.gz DKQJLZXMBJIAKN-AWEZNQCLSA-N 1 0 346.383 3.474 20 5 EGBDRO Cc1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)cc1[N+](=O)[O-] ZINC000121817284 454481549 /nfs/dbraw/zinc/48/15/49/454481549.db2.gz DRTPURJARMQLJJ-TUUVXOQKSA-N 1 0 331.416 3.001 20 5 EGBDRO CCOCCO[C@H]1CC[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000092067465 454512887 /nfs/dbraw/zinc/51/28/87/454512887.db2.gz QAHWJDLGYKXIMC-INIZCTEOSA-N 1 0 336.432 3.346 20 5 EGBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000182198029 455458474 /nfs/dbraw/zinc/45/84/74/455458474.db2.gz GZAUTFBKQCRTRU-LPHOPBHVSA-N 1 0 342.395 3.075 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000104685457 454595566 /nfs/dbraw/zinc/59/55/66/454595566.db2.gz HALSIYRAWQSUNM-QGZVFWFLSA-N 1 0 333.432 3.052 20 5 EGBDRO Cc1cc(NC[C@@H](C)[N@@H+]2CCc3sccc3C2)ncc1[N+](=O)[O-] ZINC000080598046 454604584 /nfs/dbraw/zinc/60/45/84/454604584.db2.gz WBJODLVYTUAVOJ-GFCCVEGCSA-N 1 0 332.429 3.218 20 5 EGBDRO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000092730687 454618484 /nfs/dbraw/zinc/61/84/84/454618484.db2.gz OGVNOEVOAWXODF-WBVHZDCISA-N 1 0 347.459 3.420 20 5 EGBDRO COc1ccc(C[N@H+](C)CCOc2cccc(C)c2)cc1[N+](=O)[O-] ZINC000051500243 454627344 /nfs/dbraw/zinc/62/73/44/454627344.db2.gz DPWDBVVWZFPVLQ-UHFFFAOYSA-N 1 0 330.384 3.423 20 5 EGBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+](C)CCC1CC1 ZINC000135287283 454659149 /nfs/dbraw/zinc/65/91/49/454659149.db2.gz FMJVXGQASHOYBA-SNVBAGLBSA-N 1 0 325.796 3.307 20 5 EGBDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000066137255 454659768 /nfs/dbraw/zinc/65/97/68/454659768.db2.gz VBSXSGCTZIYBMP-NSHDSACASA-N 1 0 335.429 3.270 20 5 EGBDRO COc1ccc([C@@H](CO)[N@H+](C)Cc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000093415443 454713809 /nfs/dbraw/zinc/71/38/09/454713809.db2.gz PLXFFSRZYQDHAC-GOSISDBHSA-N 1 0 330.384 3.077 20 5 EGBDRO O=C(CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)NC1CCCC1 ZINC000153320272 454782167 /nfs/dbraw/zinc/78/21/67/454782167.db2.gz XOFPTNYJCMKGCS-UHFFFAOYSA-N 1 0 331.416 3.008 20 5 EGBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](C)c1nccs1 ZINC000153350479 454784992 /nfs/dbraw/zinc/78/49/92/454784992.db2.gz XTJMBWGKATZUDO-MNOVXSKESA-N 1 0 334.401 3.119 20 5 EGBDRO C[C@@H]1CCC[C@H](C)C[N@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000125252560 454807298 /nfs/dbraw/zinc/80/72/98/454807298.db2.gz KVNUJGSFRRQJHG-UONOGXRCSA-N 1 0 347.415 3.403 20 5 EGBDRO CC[C@@H]([NH2+]Cc1ccccc1OCCO)c1cccc([N+](=O)[O-])c1 ZINC000162935342 454810436 /nfs/dbraw/zinc/81/04/36/454810436.db2.gz GCMPQPJFFMZQEW-QGZVFWFLSA-N 1 0 330.384 3.207 20 5 EGBDRO Cc1c([C@H](C)[NH2+]C[C@H]2CCN(CC(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000163143892 454825931 /nfs/dbraw/zinc/82/59/31/454825931.db2.gz DPVUKNKLKPQGOR-QWHCGFSZSA-N 1 0 345.365 3.438 20 5 EGBDRO Cc1nc(NC(=O)[C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)sc1C ZINC000112532133 454888914 /nfs/dbraw/zinc/88/89/14/454888914.db2.gz PTHMJAHVQPTDMI-MNOVXSKESA-N 1 0 348.428 3.346 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+]CC2(C(=O)N(C)C)CCCC2)cc1[N+](=O)[O-] ZINC000165094124 454893948 /nfs/dbraw/zinc/89/39/48/454893948.db2.gz FAIJMITZUUVHTJ-CQSZACIVSA-N 1 0 333.432 3.202 20 5 EGBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000113527040 454929065 /nfs/dbraw/zinc/92/90/65/454929065.db2.gz VORVBDQZLROBDV-CQSZACIVSA-N 1 0 334.420 3.289 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)n1 ZINC000178243074 454944376 /nfs/dbraw/zinc/94/43/76/454944376.db2.gz GIXPEHSFKSKPER-MRXNPFEDSA-N 1 0 340.427 3.399 20 5 EGBDRO CSc1ccc(C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000170684286 454955863 /nfs/dbraw/zinc/95/58/63/454955863.db2.gz RJRBOLKOWOLQPK-CQSZACIVSA-N 1 0 349.456 3.017 20 5 EGBDRO O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1ccc([N+](=O)[O-])s1 ZINC000114641865 454965634 /nfs/dbraw/zinc/96/56/34/454965634.db2.gz NSANSVWYULSUHE-AWEZNQCLSA-N 1 0 345.424 3.051 20 5 EGBDRO CCCN(C(=O)c1cc2cc([N+](=O)[O-])ccc2s1)[C@H]1CC[NH2+]C1 ZINC000178898808 454988795 /nfs/dbraw/zinc/98/87/95/454988795.db2.gz DHKIQKAIAALJIR-ZDUSSCGKSA-N 1 0 333.413 3.024 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000127906499 455008904 /nfs/dbraw/zinc/00/89/04/455008904.db2.gz ZHEQIBTYSOHYJI-GXTWGEPZSA-N 1 0 348.447 3.454 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]CCCN2CCCCCC2=O)cc1[N+](=O)[O-] ZINC000155508322 455009851 /nfs/dbraw/zinc/00/98/51/455009851.db2.gz QEAPEEIMOJDUTR-HNNXBMFYSA-N 1 0 333.432 3.347 20 5 EGBDRO C[C@@H]1C[C@@H](c2ccccc2)C[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000115554090 455019429 /nfs/dbraw/zinc/01/94/29/455019429.db2.gz VTFKHPVVVOSDRE-CXAGYDPISA-N 1 0 339.395 3.072 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+](CCO)CCc1ccccc1 ZINC000116280565 455051035 /nfs/dbraw/zinc/05/10/35/455051035.db2.gz UHVNUAOTOUZLCQ-UHFFFAOYSA-N 1 0 334.803 3.285 20 5 EGBDRO CC(C)c1ccc([C@@H]([NH3+])CNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000151933962 455051107 /nfs/dbraw/zinc/05/11/07/455051107.db2.gz NTAVSVGORZTZBV-KRWDZBQOSA-N 1 0 327.384 3.148 20 5 EGBDRO O=[N+]([O-])c1ccccc1OCC[NH2+][C@@H](CCCO)c1ccccc1 ZINC000179750136 455073191 /nfs/dbraw/zinc/07/31/91/455073191.db2.gz PRKFUHPZDHIFNI-INIZCTEOSA-N 1 0 330.384 3.077 20 5 EGBDRO CC(C)[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1nc(C2CC2)no1 ZINC000179811580 455082507 /nfs/dbraw/zinc/08/25/07/455082507.db2.gz FEEGYNGQUHDLBG-OAHLLOKOSA-N 1 0 330.388 3.385 20 5 EGBDRO CC[C@H]1CCCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000117342842 455083976 /nfs/dbraw/zinc/08/39/76/455083976.db2.gz DVMLPLIDVNZSHX-ZDUSSCGKSA-N 1 0 335.404 3.054 20 5 EGBDRO COc1cc(C[N@@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000179866533 455090965 /nfs/dbraw/zinc/09/09/65/455090965.db2.gz FRUQJKPRNLZHTM-NSHDSACASA-N 1 0 344.358 3.479 20 5 EGBDRO Cc1c(NC(=O)CC[N@H+]2CCS[C@H](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000118417151 455104318 /nfs/dbraw/zinc/10/43/18/455104318.db2.gz TYOXFVRRUHTFIW-QWHCGFSZSA-N 1 0 337.445 3.058 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H](O)COc1ccc(F)cc1 ZINC000152559435 455135894 /nfs/dbraw/zinc/13/58/94/455135894.db2.gz MKKMIRHUNRNOQM-BBRMVZONSA-N 1 0 348.374 3.133 20 5 EGBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCC[N@@H+](C2CCCC2)CC1 ZINC000172415430 455152273 /nfs/dbraw/zinc/15/22/73/455152273.db2.gz JUBPKEHAUBGSKK-ZHACJKMWSA-N 1 0 343.427 3.085 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[NH+](CC2CCOCC2)CC1 ZINC000182798119 455166214 /nfs/dbraw/zinc/16/62/14/455166214.db2.gz MSEMHTNEXQKDIE-INIZCTEOSA-N 1 0 347.459 3.008 20 5 EGBDRO COc1ccc(NC(=O)C[NH2+][C@@H](C)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000182938720 455195255 /nfs/dbraw/zinc/19/52/55/455195255.db2.gz LSOQXWIMLYXBAT-LBPRGKRZSA-N 1 0 335.404 3.100 20 5 EGBDRO CC(C)n1c(Sc2ccccc2[N+](=O)[O-])nnc1[C@H]1CCC[NH2+]C1 ZINC000265460774 455328983 /nfs/dbraw/zinc/32/89/83/455328983.db2.gz NCVTUJZIKVRLOH-LBPRGKRZSA-N 1 0 347.444 3.385 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C)c1cccc(O)c1 ZINC000181521404 455348458 /nfs/dbraw/zinc/34/84/58/455348458.db2.gz FJUDHWDFZKSETJ-CYBMUJFWSA-N 1 0 343.383 3.288 20 5 EGBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000265811526 455384918 /nfs/dbraw/zinc/38/49/18/455384918.db2.gz PMSOWRCLEVRZIQ-OAHLLOKOSA-N 1 0 347.459 3.109 20 5 EGBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000265939252 455410910 /nfs/dbraw/zinc/41/09/10/455410910.db2.gz HEJSGGQECJSEDU-CZUORRHYSA-N 1 0 347.459 3.305 20 5 EGBDRO CC[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(C)cc1 ZINC000182177650 455453371 /nfs/dbraw/zinc/45/33/71/455453371.db2.gz HGEHSZMUGAIOTH-SJORKVTESA-N 1 0 344.411 3.384 20 5 EGBDRO CCOc1ccc(NC(=O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000266843855 455460957 /nfs/dbraw/zinc/46/09/57/455460957.db2.gz HOPVMJFNSWUKBD-CYBMUJFWSA-N 1 0 343.383 3.283 20 5 EGBDRO CC[N@H+](C)Cc1cccc(CNC(=O)c2c(F)cccc2[N+](=O)[O-])c1 ZINC000601010869 460674985 /nfs/dbraw/zinc/67/49/85/460674985.db2.gz QRVNTKRZKVIFGL-UHFFFAOYSA-N 1 0 345.374 3.116 20 5 EGBDRO C[C@H]1C[C@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCO1 ZINC000271321052 455597166 /nfs/dbraw/zinc/59/71/66/455597166.db2.gz YFSPLFPFVGPUST-WCQYABFASA-N 1 0 333.413 3.375 20 5 EGBDRO O=[N+]([O-])c1cnc(NC[C@H]2CC[N@H+](CCc3ccccc3)C2)s1 ZINC000192450519 455620236 /nfs/dbraw/zinc/62/02/36/455620236.db2.gz FTSLUGWQIYWIMQ-CQSZACIVSA-N 1 0 332.429 3.028 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000192458676 455621992 /nfs/dbraw/zinc/62/19/92/455621992.db2.gz JJEHQDPTWVPBBF-LSDHHAIUSA-N 1 0 345.443 3.286 20 5 EGBDRO CCC[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000185858555 455635883 /nfs/dbraw/zinc/63/58/83/455635883.db2.gz KXGAFVZXXDCUCD-ZDUSSCGKSA-N 1 0 335.404 3.197 20 5 EGBDRO CCc1nnc([C@H](C)[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])[nH]1 ZINC000271471602 455649655 /nfs/dbraw/zinc/64/96/55/455649655.db2.gz IKISLYJNKYGYNK-GZBFAFLISA-N 1 0 343.431 3.337 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H](O)c1ccccc1F)CCC2 ZINC000192711799 455676229 /nfs/dbraw/zinc/67/62/29/455676229.db2.gz MAMOEWVSDQNUAG-MSOLQXFVSA-N 1 0 330.359 3.435 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000277864694 455689549 /nfs/dbraw/zinc/68/95/49/455689549.db2.gz ANBWXMGSHVFJCE-UHFFFAOYSA-N 1 0 327.384 3.260 20 5 EGBDRO CC[C@H]([NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-])[C@H](O)C(F)(F)F ZINC000271583754 455693190 /nfs/dbraw/zinc/69/31/90/455693190.db2.gz XIWYPGONJKYBLY-OSMZGAPFSA-N 1 0 334.338 3.207 20 5 EGBDRO Cc1nc(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)ccc1[N+](=O)[O-] ZINC000268497145 455698313 /nfs/dbraw/zinc/69/83/13/455698313.db2.gz PJOGQPPEHGEOEB-UHFFFAOYSA-N 1 0 344.390 3.150 20 5 EGBDRO C[NH+](C)CC1(CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)CCCC1 ZINC000186185666 455711456 /nfs/dbraw/zinc/71/14/56/455711456.db2.gz WTCBUVVDAZJKFX-UHFFFAOYSA-N 1 0 339.823 3.100 20 5 EGBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192957662 455727109 /nfs/dbraw/zinc/72/71/09/455727109.db2.gz SZOMAXLOXHWBOP-MRXNPFEDSA-N 1 0 343.431 3.054 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCC[C@H]3[C@H]3CCCO3)co2)cc1 ZINC000284736030 455734051 /nfs/dbraw/zinc/73/40/51/455734051.db2.gz KOTGNBKQKNUZOW-DLBZAZTESA-N 1 0 343.383 3.393 20 5 EGBDRO CCS[C@H]1CCC[C@@H]1[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000284823329 455747197 /nfs/dbraw/zinc/74/71/97/455747197.db2.gz AGOSDIKTBOBSCB-KBPBESRZSA-N 1 0 348.428 3.409 20 5 EGBDRO COC(=O)N1CCC([C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000186385146 455757525 /nfs/dbraw/zinc/75/75/25/455757525.db2.gz FWLUJUWFIPFTMJ-STQMWFEESA-N 1 0 335.404 3.112 20 5 EGBDRO C[C@H]([NH2+]CCc1ccc2c(c1)CCO2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284940774 455764815 /nfs/dbraw/zinc/76/48/15/455764815.db2.gz DUSPKLRWWQCBPE-LBPRGKRZSA-N 1 0 327.384 3.005 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H](CO)c1ccc(F)cc1)CCC2 ZINC000278160345 455773928 /nfs/dbraw/zinc/77/39/28/455773928.db2.gz AVCNPDQYPWPYGH-QZTJIDSGSA-N 1 0 330.359 3.435 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000252011288 455801898 /nfs/dbraw/zinc/80/18/98/455801898.db2.gz XQPYUAJNMJZVCQ-BJZZIADLSA-N 1 0 330.428 3.463 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000296262780 455895066 /nfs/dbraw/zinc/89/50/66/455895066.db2.gz OEGOIOCSLSKWGO-OIISXLGYSA-N 1 0 334.416 3.285 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCC[C@@H]1CCO ZINC000188011972 455979989 /nfs/dbraw/zinc/97/99/89/455979989.db2.gz HLGFFLRBAAPAJD-CYGHRXIMSA-N 1 0 332.444 3.447 20 5 EGBDRO Cc1cc(N2CCC[C@@](C)(O)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000280565063 456000850 /nfs/dbraw/zinc/00/08/50/456000850.db2.gz VAKBQSQSYNZVFW-GOSISDBHSA-N 1 0 342.399 3.102 20 5 EGBDRO CCC(=O)c1ccc(N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c([N+](=O)[O-])c1 ZINC000280648108 456022795 /nfs/dbraw/zinc/02/27/95/456022795.db2.gz FEDGQKFTVHOJNS-GJZGRUSLSA-N 1 0 331.416 3.108 20 5 EGBDRO CC[C@H](C)[NH+]1CCN(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000296743656 456026735 /nfs/dbraw/zinc/02/67/35/456026735.db2.gz XSEXPQWPFQWBJT-ZDUSSCGKSA-N 1 0 334.420 3.160 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCSCC[C@H]1C ZINC000286350138 456029685 /nfs/dbraw/zinc/02/96/85/456029685.db2.gz XTGKXXCTGRUTTQ-CYBMUJFWSA-N 1 0 337.445 3.059 20 5 EGBDRO Cc1ccnc(N2CC[N@H+](Cc3ccccc3)C(C)(C)C2)c1[N+](=O)[O-] ZINC000301278787 456079182 /nfs/dbraw/zinc/07/91/82/456079182.db2.gz JJQRKWUUNTWBNT-UHFFFAOYSA-N 1 0 340.427 3.399 20 5 EGBDRO CCOc1cc(CN2C[C@H]3CCCC[N@@H+]3C[C@H]2C)ccc1[N+](=O)[O-] ZINC000332496231 456083130 /nfs/dbraw/zinc/08/31/30/456083130.db2.gz BWEIEWXFWHZDJK-GDBMZVCRSA-N 1 0 333.432 3.052 20 5 EGBDRO CCOc1ccc([C@@H](C)[NH2+][C@H]2CCCc3c2cnn3C)cc1[N+](=O)[O-] ZINC000271115453 456130462 /nfs/dbraw/zinc/13/04/62/456130462.db2.gz IGISUGUXSVCJSG-DOMZBBRYSA-N 1 0 344.415 3.455 20 5 EGBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)c1ccc(Br)cc1[N+](=O)[O-] ZINC000301519520 456136862 /nfs/dbraw/zinc/13/68/62/456136862.db2.gz FBHYDMJICHKFHW-JQWIXIFHSA-N 1 0 342.237 3.134 20 5 EGBDRO COCC(C)(C)[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000237151076 456238787 /nfs/dbraw/zinc/23/87/87/456238787.db2.gz AWNRWROOEAKFTQ-UHFFFAOYSA-N 1 0 334.372 3.378 20 5 EGBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)CCCCCC[NH3+] ZINC000237256006 456254817 /nfs/dbraw/zinc/25/48/17/456254817.db2.gz ORXKGFRQKHBJTF-UHFFFAOYSA-N 1 0 327.812 3.116 20 5 EGBDRO COc1cc(NCCC[N@@H+]2CCCC[C@H]2C)c(F)cc1[N+](=O)[O-] ZINC000301947208 456257415 /nfs/dbraw/zinc/25/74/15/456257415.db2.gz HNRKPJRUIFGPQS-GFCCVEGCSA-N 1 0 325.384 3.419 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC([C@H]2CCCO2)CC1 ZINC000189223731 456258660 /nfs/dbraw/zinc/25/86/60/456258660.db2.gz JVYOQFKYMWSRSI-QGZVFWFLSA-N 1 0 334.416 3.385 20 5 EGBDRO O=[N+]([O-])c1ccsc1NCC1([NH+]2CCSCC2)CCCC1 ZINC000301974766 456262976 /nfs/dbraw/zinc/26/29/76/456262976.db2.gz BAZOGQPVAVAIOY-UHFFFAOYSA-N 1 0 327.475 3.430 20 5 EGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCN(CC(F)(F)F)[C@H](C)C1 ZINC000342867473 456282904 /nfs/dbraw/zinc/28/29/04/456282904.db2.gz BVJWYOHZTQFREU-NEPJUHHUSA-N 1 0 331.338 3.224 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1COc3ccccc3[C@H]1O)CCC2 ZINC000290341518 456299782 /nfs/dbraw/zinc/29/97/82/456299782.db2.gz PMQOAFJEYUSXJT-ZHALLVOQSA-N 1 0 340.379 3.056 20 5 EGBDRO O=[N+]([O-])c1ccc(NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000302784691 456400135 /nfs/dbraw/zinc/40/01/35/456400135.db2.gz MAGGQUXCYZHTPZ-IBGZPJMESA-N 1 0 341.411 3.298 20 5 EGBDRO CCCN(CCC[NH+](C)C)C(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000276188289 456409562 /nfs/dbraw/zinc/40/95/62/456409562.db2.gz IIEXTKUDGNPNSG-UHFFFAOYSA-N 1 0 339.461 3.121 20 5 EGBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000302835766 456413865 /nfs/dbraw/zinc/41/38/65/456413865.db2.gz VURZXAJNFVWTSM-AWEZNQCLSA-N 1 0 341.839 3.061 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1N1CCC[C@H]([NH+]3CCCC3)CC1)CCN2 ZINC000302891965 456430292 /nfs/dbraw/zinc/43/02/92/456430292.db2.gz PWCBVLULZRCXSG-AWEZNQCLSA-N 1 0 330.432 3.018 20 5 EGBDRO CCOc1cc(C[N@@H+]2CC[C@@H](COC(F)F)C2)ccc1[N+](=O)[O-] ZINC000353029210 456447692 /nfs/dbraw/zinc/44/76/92/456447692.db2.gz PNAXHINIAXDFQS-GFCCVEGCSA-N 1 0 330.331 3.055 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000276379144 456462890 /nfs/dbraw/zinc/46/28/90/456462890.db2.gz FWLWCZQMWMMWAX-OAHLLOKOSA-N 1 0 346.431 3.304 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000276461853 456488348 /nfs/dbraw/zinc/48/83/48/456488348.db2.gz WVVGRTSQSQGDRC-CQSZACIVSA-N 1 0 348.447 3.406 20 5 EGBDRO COc1cccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000298857059 456556134 /nfs/dbraw/zinc/55/61/34/456556134.db2.gz FNEKRBINHANAFB-CHWSQXEVSA-N 1 0 343.383 3.281 20 5 EGBDRO CCOc1cc(C[NH+]2CCC([C@H]3CCCO3)CC2)ccc1[N+](=O)[O-] ZINC000276832534 456593325 /nfs/dbraw/zinc/59/33/25/456593325.db2.gz BHVSZKGCTSDEMA-QGZVFWFLSA-N 1 0 334.416 3.385 20 5 EGBDRO CC[N@H+](C[C@H](C)OC)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000291326288 456606646 /nfs/dbraw/zinc/60/66/46/456606646.db2.gz VEUUCKOXFGDUCY-NWDGAFQWSA-N 1 0 334.376 3.063 20 5 EGBDRO Cc1c(C[NH2+][C@H](C)c2cccc(-n3ccnn3)c2)cccc1[N+](=O)[O-] ZINC000348303482 456608307 /nfs/dbraw/zinc/60/83/07/456608307.db2.gz MZSHNDMXTCQRRC-CQSZACIVSA-N 1 0 337.383 3.335 20 5 EGBDRO CCS(=O)(=O)c1cccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000343463939 456638113 /nfs/dbraw/zinc/63/81/13/456638113.db2.gz GACGVHAQXVJCOQ-ZDUSSCGKSA-N 1 0 348.424 3.239 20 5 EGBDRO C[C@H](NC(=O)CC[C@H]([NH3+])c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000324761488 456674301 /nfs/dbraw/zinc/67/43/01/456674301.db2.gz UKPBCSQDGHGTPB-GUYCJALGSA-N 1 0 327.384 3.252 20 5 EGBDRO Cc1ccc(NC(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000343542271 456694945 /nfs/dbraw/zinc/69/49/45/456694945.db2.gz NEDOABFGQSJGHN-CQSZACIVSA-N 1 0 334.420 3.145 20 5 EGBDRO O=[N+]([O-])c1ccc(C[N@@H+](CCO)[C@@H]2CCc3ccccc32)cc1F ZINC000283041725 456696457 /nfs/dbraw/zinc/69/64/57/456696457.db2.gz IJSOYTCJQYCAGD-QGZVFWFLSA-N 1 0 330.359 3.216 20 5 EGBDRO COCC(C)(C)C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000291643313 456705475 /nfs/dbraw/zinc/70/54/75/456705475.db2.gz BTPBPKATNYTUDQ-UHFFFAOYSA-N 1 0 335.429 3.481 20 5 EGBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccccc1-n1ccnn1 ZINC000353504577 456721096 /nfs/dbraw/zinc/72/10/96/456721096.db2.gz RYOUNWXIMCDQNA-CQSZACIVSA-N 1 0 337.383 3.069 20 5 EGBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000340921664 456761977 /nfs/dbraw/zinc/76/19/77/456761977.db2.gz MGVIYISXUBGKSD-OAHLLOKOSA-N 1 0 335.452 3.329 20 5 EGBDRO CCc1ccc([C@H](NCc2cncn2C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000353566546 456766093 /nfs/dbraw/zinc/76/60/93/456766093.db2.gz LYJLETYLVRIFGE-GOSISDBHSA-N 1 0 340.383 3.363 20 5 EGBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1Cc1ccccc1[N+](=O)[O-] ZINC000353568543 456767996 /nfs/dbraw/zinc/76/79/96/456767996.db2.gz LYKRMNXHHJUFBA-MRXNPFEDSA-N 1 0 325.412 3.301 20 5 EGBDRO Cc1cnc(C2CC[NH+](C[C@H](O)c3cccc([N+](=O)[O-])c3)CC2)s1 ZINC000277368458 456797528 /nfs/dbraw/zinc/79/75/28/456797528.db2.gz ITFFQVRCJZNHJV-INIZCTEOSA-N 1 0 347.440 3.273 20 5 EGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCO[C@@H]1c1cccnc1 ZINC000344253890 456811099 /nfs/dbraw/zinc/81/10/99/456811099.db2.gz HCDAYGFAFZURTL-LSBZLQRGSA-N 1 0 341.411 3.431 20 5 EGBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(C(=O)N(C)C)cc1 ZINC000292000043 456825288 /nfs/dbraw/zinc/82/52/88/456825288.db2.gz ARAUVMPALNASSG-CQSZACIVSA-N 1 0 341.411 3.190 20 5 EGBDRO Nc1c(F)c(N[C@H]2CC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000348720319 456828844 /nfs/dbraw/zinc/82/88/44/456828844.db2.gz AFBGZHAIUAHQGW-ZDUSSCGKSA-N 1 0 330.363 3.003 20 5 EGBDRO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])c(N)c1F)c1ccc(F)cc1 ZINC000348722640 456829638 /nfs/dbraw/zinc/82/96/38/456829638.db2.gz WMVZSEQYFKZTMY-CQSZACIVSA-N 1 0 336.342 3.170 20 5 EGBDRO COc1cc(C[NH2+][C@@H](C)[C@@H]2COc3ccccc32)ccc1[N+](=O)[O-] ZINC000348771866 456849890 /nfs/dbraw/zinc/84/98/90/456849890.db2.gz HULCZJUMJNPVFB-WFASDCNBSA-N 1 0 328.368 3.258 20 5 EGBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccc(C(=O)N(C)C)cc1 ZINC000292106016 456855594 /nfs/dbraw/zinc/85/55/94/456855594.db2.gz JVLGKGNSHRZDIG-AWEZNQCLSA-N 1 0 341.411 3.190 20 5 EGBDRO CC[N@@H+]1CCCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000338953376 456873049 /nfs/dbraw/zinc/87/30/49/456873049.db2.gz JYYBWHQKTXRLDI-UHFFFAOYSA-N 1 0 331.338 3.141 20 5 EGBDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000292166044 456873932 /nfs/dbraw/zinc/87/39/32/456873932.db2.gz WTRNZXIYRIQKPL-SECBINFHSA-N 1 0 348.230 3.360 20 5 EGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)[C@@H](CO)SC ZINC000349243396 456920998 /nfs/dbraw/zinc/92/09/98/456920998.db2.gz BXPUCBRKIMLKND-YWPYICTPSA-N 1 0 344.502 3.168 20 5 EGBDRO C[NH+](C)CCN(C/C=C\c1ccccc1[N+](=O)[O-])Cc1ccco1 ZINC000349324201 456942429 /nfs/dbraw/zinc/94/24/29/456942429.db2.gz BJBQAZDBNAACAL-YVMONPNESA-N 1 0 329.400 3.265 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc3c(c2)C(=O)NCC3)cc1[N+](=O)[O-] ZINC000349685963 457015931 /nfs/dbraw/zinc/01/59/31/457015931.db2.gz QZVSKLBIJVBCMS-ZDUSSCGKSA-N 1 0 339.395 3.040 20 5 EGBDRO C[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2F)C[C@@H]1Cc1ccccc1 ZINC000341974656 457035888 /nfs/dbraw/zinc/03/58/88/457035888.db2.gz RIVMJQKXAVLHFB-SFHVURJKSA-N 1 0 343.402 3.093 20 5 EGBDRO CC(C)C[C@H]([NH3+])c1noc(-c2ccc(N3CCCC3)c([N+](=O)[O-])c2)n1 ZINC000339394160 457090264 /nfs/dbraw/zinc/09/02/64/457090264.db2.gz PHFRYTWCLLQPEW-ZDUSSCGKSA-N 1 0 345.403 3.291 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N(C)CC[N@H+](C)C2CCCCC2)c1 ZINC000330911475 457102270 /nfs/dbraw/zinc/10/22/70/457102270.db2.gz WANCLTNSUJSPTD-UHFFFAOYSA-N 1 0 333.432 3.240 20 5 EGBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)C[C@@H]1C ZINC000331026692 457122331 /nfs/dbraw/zinc/12/23/31/457122331.db2.gz VLWPYEBMSLSMMS-DZGCQCFKSA-N 1 0 334.420 3.240 20 5 EGBDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000356785066 457166087 /nfs/dbraw/zinc/16/60/87/457166087.db2.gz VRLCUUHWHHFEDJ-SNVBAGLBSA-N 1 0 347.337 3.072 20 5 EGBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CC[C@H](CC2CC2)C1 ZINC000339673181 457203253 /nfs/dbraw/zinc/20/32/53/457203253.db2.gz DQMYJGIISAYTTF-CQSZACIVSA-N 1 0 345.399 3.015 20 5 EGBDRO C[C@H]1CN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@H](C)[NH+]1C ZINC000354453129 457232151 /nfs/dbraw/zinc/23/21/51/457232151.db2.gz UPYKVVKWJDMXBD-KBPBESRZSA-N 1 0 329.400 3.379 20 5 EGBDRO Cn1nccc1[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000363223725 457262435 /nfs/dbraw/zinc/26/24/35/457262435.db2.gz IBZDEJFHVBAVOL-GFCCVEGCSA-N 1 0 334.807 3.361 20 5 EGBDRO CC[C@H]([NH2+]CCNC(=O)c1cccc(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000360139408 457270361 /nfs/dbraw/zinc/27/03/61/457270361.db2.gz KYCRMCMHQSJOJS-SFHVURJKSA-N 1 0 341.411 3.374 20 5 EGBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](C)C2(CCC2)C1 ZINC000357011443 457274609 /nfs/dbraw/zinc/27/46/09/457274609.db2.gz ODNASKYQOKUOAI-UONOGXRCSA-N 1 0 331.416 3.434 20 5 EGBDRO CC[C@H](CC(F)(F)F)[NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000354542093 457279707 /nfs/dbraw/zinc/27/97/07/457279707.db2.gz WLUYSFRSYMAAKP-VHSXEESVSA-N 1 0 333.310 3.242 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1CNCC(C)(C)C[NH+]1CCCC1 ZINC000360167217 457285221 /nfs/dbraw/zinc/28/52/21/457285221.db2.gz VZIYFWUJRCEHJY-UHFFFAOYSA-N 1 0 335.448 3.205 20 5 EGBDRO CN(CC[N@H+](C)C1CC1)c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000351531740 457303955 /nfs/dbraw/zinc/30/39/55/457303955.db2.gz KMMRVTFWAUTPOS-UHFFFAOYSA-N 1 0 326.400 3.187 20 5 EGBDRO CCCC[NH+]1CCC(NC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000347245059 457307958 /nfs/dbraw/zinc/30/79/58/457307958.db2.gz YAENOQNITULVGR-UHFFFAOYSA-N 1 0 338.383 3.120 20 5 EGBDRO C[C@@H]1CC(C)(C)C[C@@](CO)([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000332235629 457333549 /nfs/dbraw/zinc/33/35/49/457333549.db2.gz PXTMFFBJSSMGIA-XIKOKIGWSA-N 1 0 346.431 3.138 20 5 EGBDRO C[N@H+](CCc1cnccn1)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000357214421 457376493 /nfs/dbraw/zinc/37/64/93/457376493.db2.gz OPLCPZRSRQUEKA-UHFFFAOYSA-N 1 0 338.367 3.319 20 5 EGBDRO C[N@H+](CC[C@H]1CCCO1)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000342603546 457395117 /nfs/dbraw/zinc/39/51/17/457395117.db2.gz MOWBPVJJMPFVEI-MRXNPFEDSA-N 1 0 331.372 3.251 20 5 EGBDRO C[NH+](C)CCO[C@@H]1CCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000342639603 457421196 /nfs/dbraw/zinc/42/11/96/457421196.db2.gz UPISXTBJKXJRSB-LLVKDONJSA-N 1 0 348.230 3.059 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CC[C@@H](c4ccco4)C3)n2)c1 ZINC000374003441 457434865 /nfs/dbraw/zinc/43/48/65/457434865.db2.gz PVNWMKOOMVSVJL-CYBMUJFWSA-N 1 0 340.339 3.227 20 5 EGBDRO CCC[C@@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000347509735 457475660 /nfs/dbraw/zinc/47/56/60/457475660.db2.gz AVKNACGQHWSWLW-PKOBYXMFSA-N 1 0 344.411 3.466 20 5 EGBDRO C[C@H]([NH2+]Cc1cnnn1C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000352598861 457493698 /nfs/dbraw/zinc/49/36/98/457493698.db2.gz VHTDBYUIHURBPZ-NSHDSACASA-N 1 0 343.412 3.303 20 5 EGBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000361012666 457510929 /nfs/dbraw/zinc/51/09/29/457510929.db2.gz GWSAJEODXMYOQM-CJNGLKHVSA-N 1 0 343.431 3.052 20 5 EGBDRO CC[C@H](NC(=O)c1ccc2c(c1)C[NH2+]C2)c1cccc([N+](=O)[O-])c1 ZINC000347565978 457512530 /nfs/dbraw/zinc/51/25/30/457512530.db2.gz WRBNSKSUIURJRP-KRWDZBQOSA-N 1 0 325.368 3.079 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)C1CCC(F)(F)CC1 ZINC000347598288 457538778 /nfs/dbraw/zinc/53/87/78/457538778.db2.gz KNAGQXKHCCKBTJ-UHFFFAOYSA-N 1 0 341.358 3.351 20 5 EGBDRO CC(C)[NH+](CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)C(C)C ZINC000357578822 457603230 /nfs/dbraw/zinc/60/32/30/457603230.db2.gz DYAGMKDGRVJQML-UHFFFAOYSA-N 1 0 333.388 3.190 20 5 EGBDRO COC(=O)c1cc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)n(C)c1C ZINC000361135685 457604397 /nfs/dbraw/zinc/60/43/97/457604397.db2.gz HTZVUURHSADFOC-UHFFFAOYSA-N 1 0 345.399 3.053 20 5 EGBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)[C@H]1OC ZINC000361164093 457623063 /nfs/dbraw/zinc/62/30/63/457623063.db2.gz DCXQEVXHESCZJD-ZTFGCOKTSA-N 1 0 346.383 3.137 20 5 EGBDRO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2cc([N+](=O)[O-])ccc2OC)C12CCC2 ZINC000357785092 457688321 /nfs/dbraw/zinc/68/83/21/457688321.db2.gz HUKVQRGEPIHWDD-IAGOWNOFSA-N 1 0 334.416 3.383 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000365306542 457739987 /nfs/dbraw/zinc/73/99/87/457739987.db2.gz GCZHTJWVSVIHIZ-OAHLLOKOSA-N 1 0 333.432 3.076 20 5 EGBDRO CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)CC1CCC1 ZINC000361481825 457745771 /nfs/dbraw/zinc/74/57/71/457745771.db2.gz RESKGLSUDSRINV-UHFFFAOYSA-N 1 0 325.796 3.309 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](CC1CCC1)[C@@H](C)CO ZINC000361483061 457746445 /nfs/dbraw/zinc/74/64/45/457746445.db2.gz BVHGSADKFOWJAR-AWEZNQCLSA-N 1 0 336.432 3.365 20 5 EGBDRO CC1(C)C[C@H]([NH2+]CCNc2ccccn2)c2cc([N+](=O)[O-])ccc21 ZINC000433251876 457791049 /nfs/dbraw/zinc/79/10/49/457791049.db2.gz JORIXXFFUBUYRM-INIZCTEOSA-N 1 0 326.400 3.414 20 5 EGBDRO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433288045 457798975 /nfs/dbraw/zinc/79/89/75/457798975.db2.gz XYULPKKJTRRWMZ-PJSAGSTRSA-N 1 0 329.444 3.390 20 5 EGBDRO COc1ccc(NC(=O)CC[N@H+](C)[C@H]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000411171365 457820638 /nfs/dbraw/zinc/82/06/38/457820638.db2.gz DHFPQBXHQGYWNC-KGLIPLIRSA-N 1 0 349.431 3.443 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)[C@@H]1OCCc2sccc21 ZINC000366537359 457844732 /nfs/dbraw/zinc/84/47/32/457844732.db2.gz WZCHVKYAQYYUGS-GTNSWQLSSA-N 1 0 348.424 3.457 20 5 EGBDRO COc1ccc(NC(=O)CC[N@H+]2[C@H](C)CCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000411284273 457849920 /nfs/dbraw/zinc/84/99/20/457849920.db2.gz XMQORENMCVXOSN-BETUJISGSA-N 1 0 335.404 3.195 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H](C)[C@H]1C ZINC000411318320 457855966 /nfs/dbraw/zinc/85/59/66/457855966.db2.gz ZFCWKJSTQHNQPF-CHWSQXEVSA-N 1 0 335.404 3.052 20 5 EGBDRO CC[C@@H]([NH2+][C@H](CO)Cc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000358234920 457876677 /nfs/dbraw/zinc/87/66/77/457876677.db2.gz HEXJUQIQFODCLM-FUHWJXTLSA-N 1 0 332.375 3.378 20 5 EGBDRO CCOc1cccc(NCC2([NH+]3CCCC3)CCOCC2)c1[N+](=O)[O-] ZINC000358246989 457885907 /nfs/dbraw/zinc/88/59/07/457885907.db2.gz NSOWTBUMQBSZFH-UHFFFAOYSA-N 1 0 349.431 3.050 20 5 EGBDRO COc1ccc(NC(=O)CC[N@H+](C)[C@@H]2CC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000411632285 457934144 /nfs/dbraw/zinc/93/41/44/457934144.db2.gz POVLZERKXYFMLS-QWHCGFSZSA-N 1 0 335.404 3.052 20 5 EGBDRO Cc1c(C[N@@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000444729877 457958320 /nfs/dbraw/zinc/95/83/20/457958320.db2.gz IGTGVPUFJFFWCW-JSGCOSHPSA-N 1 0 332.322 3.038 20 5 EGBDRO CCCC[C@@H](C)[N@H+](C)CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000411747139 457969649 /nfs/dbraw/zinc/96/96/49/457969649.db2.gz PTGWBCCJBPLERU-CYBMUJFWSA-N 1 0 337.420 3.443 20 5 EGBDRO C[C@H]([NH2+]CCC(=O)NCC1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000411771485 457976523 /nfs/dbraw/zinc/97/65/23/457976523.db2.gz OMWUGXWJOKPZCW-AWEZNQCLSA-N 1 0 333.432 3.332 20 5 EGBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000444834287 457986007 /nfs/dbraw/zinc/98/60/07/457986007.db2.gz DYNFUJAKALSHAC-CYBMUJFWSA-N 1 0 341.839 3.469 20 5 EGBDRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000427491770 457993910 /nfs/dbraw/zinc/99/39/10/457993910.db2.gz ADMAFTWJBVBLPJ-UHFFFAOYSA-N 1 0 342.399 3.090 20 5 EGBDRO COc1ccc(C(=O)Nc2ccc(C[NH+](C)C)c(C)c2)cc1[N+](=O)[O-] ZINC000458327279 458015246 /nfs/dbraw/zinc/01/52/46/458015246.db2.gz VPOBJZNMNNKIFJ-UHFFFAOYSA-N 1 0 343.383 3.226 20 5 EGBDRO CC(C)c1ccc(C[N@H+](C)CCN2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000435056397 458086616 /nfs/dbraw/zinc/08/66/16/458086616.db2.gz MPSVWFBSBFIFEE-IYBDPMFKSA-N 1 0 349.475 3.259 20 5 EGBDRO CCc1ccccc1C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000445810983 458090960 /nfs/dbraw/zinc/09/09/60/458090960.db2.gz NEMRLYQUAWRDGB-MRXNPFEDSA-N 1 0 326.400 3.239 20 5 EGBDRO COc1ccc(-c2ccc(CN3CC[C@H]([NH3+])[C@@H](C)C3)o2)c([N+](=O)[O-])c1 ZINC000435375912 458126286 /nfs/dbraw/zinc/12/62/86/458126286.db2.gz OWGVZRHYBLQJBZ-LRDDRELGSA-N 1 0 345.399 3.033 20 5 EGBDRO COc1ccc(OCC[N@@H+]2CCS[C@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000362383326 458136813 /nfs/dbraw/zinc/13/68/13/458136813.db2.gz JRCZAOVTDULWPJ-INIZCTEOSA-N 1 0 340.445 3.056 20 5 EGBDRO CN(c1ccccc1)c1ccc(CN2CCC([NH3+])CC2)cc1[N+](=O)[O-] ZINC000435397843 458137137 /nfs/dbraw/zinc/13/71/37/458137137.db2.gz LCOMVCXHPBOBQF-UHFFFAOYSA-N 1 0 340.427 3.286 20 5 EGBDRO CC[C@]1(C)CCC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000362391565 458148420 /nfs/dbraw/zinc/14/84/20/458148420.db2.gz QFRMYAUQGAMEDA-FUHWJXTLSA-N 1 0 331.416 3.212 20 5 EGBDRO CC(C)C[C@H](CNc1cc(C(F)(F)F)ncc1[N+](=O)[O-])[NH+](C)C ZINC000436270273 458279817 /nfs/dbraw/zinc/27/98/17/458279817.db2.gz AEHPOXNVCYDWQB-SNVBAGLBSA-N 1 0 334.342 3.397 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1NCC1CC[NH+](CCO)CC1 ZINC000429211281 458291195 /nfs/dbraw/zinc/29/11/95/458291195.db2.gz KOIRSZOYRVCKIO-UHFFFAOYSA-N 1 0 348.230 3.018 20 5 EGBDRO CC(C)([NH2+]CC[S@@](=O)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000429231907 458294067 /nfs/dbraw/zinc/29/40/67/458294067.db2.gz RQBNGXRUPRLQIU-HSZRJFAPSA-N 1 0 332.425 3.227 20 5 EGBDRO Cc1ccc(C[NH2+]C[C@H]2Cc3ccccc3N(C)C2)cc1[N+](=O)[O-] ZINC000436376632 458296803 /nfs/dbraw/zinc/29/68/03/458296803.db2.gz CIASWOHDULMFOY-MRXNPFEDSA-N 1 0 325.412 3.302 20 5 EGBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCc2ccc(F)cc2)n1 ZINC000447514511 458303265 /nfs/dbraw/zinc/30/32/65/458303265.db2.gz FSWUUOXJUHYVOK-HOTGVXAUSA-N 1 0 332.379 3.246 20 5 EGBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCCOc2ccccc2)n1 ZINC000447532990 458306209 /nfs/dbraw/zinc/30/62/09/458306209.db2.gz YFMULLMVBKNMOT-IRXDYDNUSA-N 1 0 344.415 3.334 20 5 EGBDRO COCCC1(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCC1 ZINC000447581334 458316855 /nfs/dbraw/zinc/31/68/55/458316855.db2.gz UCKNISKPLRNVCR-CABCVRRESA-N 1 0 336.436 3.071 20 5 EGBDRO CN(C)c1ccccc1C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447587545 458317739 /nfs/dbraw/zinc/31/77/39/458317739.db2.gz ROBZQLYJFLHJRD-DOTOQJQBSA-N 1 0 343.431 3.131 20 5 EGBDRO C[C@@H]1C[C@@H](c2cccnc2)[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000376555097 458337299 /nfs/dbraw/zinc/33/72/99/458337299.db2.gz UGUKKCLFZJYFLQ-KDOFPFPSSA-N 1 0 327.384 3.452 20 5 EGBDRO CC(C)(CO)[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000429724388 458364455 /nfs/dbraw/zinc/36/44/55/458364455.db2.gz WPCLFRAVLIYGBZ-GOSISDBHSA-N 1 0 328.412 3.487 20 5 EGBDRO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2OC)C12CCC2 ZINC000430213987 458423377 /nfs/dbraw/zinc/42/33/77/458423377.db2.gz DINRUMVZBPRJNF-IAGOWNOFSA-N 1 0 334.416 3.383 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](Cc1ccccc1)CC(C)(C)O ZINC000430229493 458425648 /nfs/dbraw/zinc/42/56/48/458425648.db2.gz VVOVQFYOKCNUAW-UHFFFAOYSA-N 1 0 344.411 3.377 20 5 EGBDRO Cc1noc(C2CN(Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2)n1 ZINC000459615440 458427881 /nfs/dbraw/zinc/42/78/81/458427881.db2.gz XSSNKNPLWWHFKG-UHFFFAOYSA-N 1 0 340.339 3.146 20 5 EGBDRO C[C@@H](CC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)C1CC[NH2+]CC1 ZINC000423719251 458475596 /nfs/dbraw/zinc/47/55/96/458475596.db2.gz FAGDLQOYOXSGCQ-AWEZNQCLSA-N 1 0 345.443 3.112 20 5 EGBDRO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000430822173 458494869 /nfs/dbraw/zinc/49/48/69/458494869.db2.gz JZFBLSZMKPGPGF-HOCLYGCPSA-N 1 0 333.432 3.225 20 5 EGBDRO Cc1c(C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)cccc1[N+](=O)[O-] ZINC000437847522 458501907 /nfs/dbraw/zinc/50/19/07/458501907.db2.gz YUQBBIICCDRQCL-INIZCTEOSA-N 1 0 345.443 3.430 20 5 EGBDRO CC(C)c1ccc(C(=O)N2C[C@@H]([NH3+])Cc3ccccc32)cc1[N+](=O)[O-] ZINC000424082669 458554296 /nfs/dbraw/zinc/55/42/96/458554296.db2.gz WNTPJTBQSXKQTP-HNNXBMFYSA-N 1 0 339.395 3.248 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCCN(C(=O)C(C)C)CC1 ZINC000470179797 458621758 /nfs/dbraw/zinc/62/17/58/458621758.db2.gz CIKRUOOEXDTUBE-FOWTUZBSSA-N 1 0 345.443 3.188 20 5 EGBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000462757407 458650323 /nfs/dbraw/zinc/65/03/23/458650323.db2.gz SZLYDKVDRPADLR-MRXNPFEDSA-N 1 0 347.459 3.154 20 5 EGBDRO O=[N+]([O-])c1cccc2c(N3CCC([NH+]4CCCC4)CC3)ccnc21 ZINC000432345074 458719297 /nfs/dbraw/zinc/71/92/97/458719297.db2.gz FXSPWCWUMNSKJU-UHFFFAOYSA-N 1 0 326.400 3.208 20 5 EGBDRO CCOc1cc(C[N@H+](C)C[C@H](O)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000433041357 458831807 /nfs/dbraw/zinc/83/18/07/458831807.db2.gz CISZZBIZGFTQGE-QGZVFWFLSA-N 1 0 344.411 3.029 20 5 EGBDRO Cc1ccc(NC(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)cc1[N+](=O)[O-] ZINC000466289936 458891582 /nfs/dbraw/zinc/89/15/82/458891582.db2.gz WSUGQWFENPJPAW-MRXNPFEDSA-N 1 0 346.431 3.289 20 5 EGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@H](CO)c1ccc(F)cc1 ZINC000566475029 458944401 /nfs/dbraw/zinc/94/44/01/458944401.db2.gz ITVQNCTUVRBFAV-DYVFJYSZSA-N 1 0 330.359 3.087 20 5 EGBDRO CC(C)NC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000566474246 458944443 /nfs/dbraw/zinc/94/44/43/458944443.db2.gz GAFFVCXYWGLKDD-JKIFEVAISA-N 1 0 345.443 3.255 20 5 EGBDRO COC[C@H](Cc1ccccc1)[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000475748701 458963151 /nfs/dbraw/zinc/96/31/51/458963151.db2.gz ODIRAVWJCYTKMO-KRWDZBQOSA-N 1 0 344.411 3.163 20 5 EGBDRO CCC[C@H]([NH2+]C[C@H](O)COc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000531944107 459004533 /nfs/dbraw/zinc/00/45/33/459004533.db2.gz RDEWBGKQAUVSPB-HKUYNNGSSA-N 1 0 344.411 3.466 20 5 EGBDRO CC[N@@H+](Cc1ccc(C)cc1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000519918073 459021553 /nfs/dbraw/zinc/02/15/53/459021553.db2.gz AEMVWEZETZHJQI-SFHVURJKSA-N 1 0 344.411 3.165 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442756449 459031942 /nfs/dbraw/zinc/03/19/42/459031942.db2.gz KLBSLXXOWCMXJK-FKEKPDDDSA-N 1 0 333.432 3.097 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CC[C@](O)(C(F)(F)F)C2)c(Cl)c1 ZINC000589938153 459053678 /nfs/dbraw/zinc/05/36/78/459053678.db2.gz GOGZODPJAFIQFU-JOYOIKCWSA-N 1 0 338.713 3.184 20 5 EGBDRO Cc1c([C@H](C)[NH2+][C@H]2CCCC[C@H]2N2CCOCC2)cccc1[N+](=O)[O-] ZINC000532248674 459054350 /nfs/dbraw/zinc/05/43/50/459054350.db2.gz AUVSRCWUHDMJCM-VDZJLULYSA-N 1 0 347.459 3.197 20 5 EGBDRO O=C1[C@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CCN1C1CCCCC1 ZINC000594500391 459063317 /nfs/dbraw/zinc/06/33/17/459063317.db2.gz SIVXWHSDIATYSQ-DLBZAZTESA-N 1 0 343.427 3.105 20 5 EGBDRO CCC(C)(C)[NH+]1CCN(c2cc(OC)c([N+](=O)[O-])cc2F)CC1 ZINC000594593374 459102394 /nfs/dbraw/zinc/10/23/94/459102394.db2.gz BWJYOQUCHJRWID-UHFFFAOYSA-N 1 0 325.384 3.053 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000590598989 459158261 /nfs/dbraw/zinc/15/82/61/459158261.db2.gz AZJQZPCCOCPDFP-DOTOQJQBSA-N 1 0 333.432 3.051 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H](C(C)C)CC1 ZINC000532960213 459165831 /nfs/dbraw/zinc/16/58/31/459165831.db2.gz YUWOHAAJZNHCHP-CQSZACIVSA-N 1 0 349.431 3.300 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)cc1 ZINC000594922925 459177315 /nfs/dbraw/zinc/17/73/15/459177315.db2.gz VUJSLUBSOPXSKJ-LJQANCHMSA-N 1 0 342.395 3.095 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H]1Cc2ccccc2O1 ZINC000595003373 459211761 /nfs/dbraw/zinc/21/17/61/459211761.db2.gz FEXJKUTUPUBXPC-IUODEOHRSA-N 1 0 328.368 3.258 20 5 EGBDRO COc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2C(C)(C)C)c([N+](=O)[O-])c1 ZINC000533291418 459212594 /nfs/dbraw/zinc/21/25/94/459212594.db2.gz PAAXEIOPJCXASI-HNNXBMFYSA-N 1 0 335.404 3.052 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H](CO)Cc1cccc(C)c1 ZINC000595042590 459225906 /nfs/dbraw/zinc/22/59/06/459225906.db2.gz ULYKYGDIXBHAFZ-GDBMZVCRSA-N 1 0 344.411 3.166 20 5 EGBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000522211595 459227222 /nfs/dbraw/zinc/22/72/22/459227222.db2.gz BYNPAJDBVCBNQG-AWEZNQCLSA-N 1 0 347.459 3.352 20 5 EGBDRO CC[C@H](C)C[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000481166207 459236302 /nfs/dbraw/zinc/23/63/02/459236302.db2.gz CKJAMYBASCRJAV-ZDUSSCGKSA-N 1 0 331.420 3.029 20 5 EGBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H]2CCCC[C@@H]2CC)c([N+](=O)[O-])c1 ZINC000481210554 459239075 /nfs/dbraw/zinc/23/90/75/459239075.db2.gz WCELNFNQIWYSAU-DZGCQCFKSA-N 1 0 349.431 3.490 20 5 EGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@H]1CCN1Cc1ccccc1 ZINC000595101953 459245569 /nfs/dbraw/zinc/24/55/69/459245569.db2.gz GORANYVXWGOEHU-VQIMIIECSA-N 1 0 337.423 3.446 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CC(=O)N(C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000595105131 459246721 /nfs/dbraw/zinc/24/67/21/459246721.db2.gz QMOAQIRKKZUIFJ-KGLIPLIRSA-N 1 0 333.432 3.201 20 5 EGBDRO CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000559358724 459255188 /nfs/dbraw/zinc/25/51/88/459255188.db2.gz MVVUIBFRLUKTQS-CQSZACIVSA-N 1 0 344.415 3.023 20 5 EGBDRO CC[C@H](CC(F)F)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000595371552 459285175 /nfs/dbraw/zinc/28/51/75/459285175.db2.gz OFROQTLSFWETMG-VXGBXAGGSA-N 1 0 328.363 3.157 20 5 EGBDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000523343549 459293014 /nfs/dbraw/zinc/29/30/14/459293014.db2.gz JINDIFLGEFJFRE-INIZCTEOSA-N 1 0 334.420 3.371 20 5 EGBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CC[C@@H](C2CCC2)C1 ZINC000591063404 459303000 /nfs/dbraw/zinc/30/30/00/459303000.db2.gz WMUUTWPVBCWMMJ-CQSZACIVSA-N 1 0 345.399 3.015 20 5 EGBDRO COc1ccc(-c2ccc(CN[C@@H]3CCC[NH2+]CC3)o2)c([N+](=O)[O-])c1 ZINC000591278482 459346161 /nfs/dbraw/zinc/34/61/61/459346161.db2.gz HVITWWUFWDJKHK-CYBMUJFWSA-N 1 0 345.399 3.095 20 5 EGBDRO Cc1cc(NC(=O)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC000591296401 459349334 /nfs/dbraw/zinc/34/93/34/459349334.db2.gz GYMWDLLSRFERBZ-GJZGRUSLSA-N 1 0 346.431 3.147 20 5 EGBDRO COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](C(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000483248083 459353672 /nfs/dbraw/zinc/35/36/72/459353672.db2.gz PWDAHPDLKGMEPW-CYBMUJFWSA-N 1 0 349.431 3.300 20 5 EGBDRO CC(C)(C)[C@@H]1CCC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000483248804 459354039 /nfs/dbraw/zinc/35/40/39/459354039.db2.gz GPATTYICVZMKNW-ZBFHGGJFSA-N 1 0 336.432 3.093 20 5 EGBDRO C[C@@H](C(=O)NCCC[N@H+](C)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000569181862 459407959 /nfs/dbraw/zinc/40/79/59/459407959.db2.gz WKLUSDLWUMQTND-OAHLLOKOSA-N 1 0 347.459 3.469 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000595748561 459424168 /nfs/dbraw/zinc/42/41/68/459424168.db2.gz XHYGQYHHGDKVGJ-ZWKOTPCHSA-N 1 0 326.396 3.193 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@H](c3ccccc3)[C@H](CO)C2)cc1 ZINC000595748345 459424703 /nfs/dbraw/zinc/42/47/03/459424703.db2.gz RQYZHWFQLPVMTB-AZUAARDMSA-N 1 0 340.423 3.235 20 5 EGBDRO C[C@@H](CNc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1)[N@H+](C)C1CC1 ZINC000485420463 459455325 /nfs/dbraw/zinc/45/53/25/459455325.db2.gz WYUYDNHHDRXWOQ-LBPRGKRZSA-N 1 0 344.390 3.112 20 5 EGBDRO CC[C@@H](CO)[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000541589470 459470352 /nfs/dbraw/zinc/47/03/52/459470352.db2.gz WVNKICKHGVUKIA-SFHVURJKSA-N 1 0 328.412 3.410 20 5 EGBDRO O=c1[nH]ccc(NCC2CC[NH+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000596090372 459516254 /nfs/dbraw/zinc/51/62/54/459516254.db2.gz CUDDVSWWBJQELU-UHFFFAOYSA-N 1 0 342.399 3.020 20 5 EGBDRO CCC[C@H](C)[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000486789047 459519471 /nfs/dbraw/zinc/51/94/71/459519471.db2.gz QGMDQEFPFPDCSN-XJKSGUPXSA-N 1 0 349.431 3.443 20 5 EGBDRO CCn1c(CCNc2c(Cl)cncc2[N+](=O)[O-])nc2ccccc21 ZINC000596099682 459520101 /nfs/dbraw/zinc/52/01/01/459520101.db2.gz VLFIPBQYHJGMEM-UHFFFAOYSA-N 1 0 345.790 3.089 20 5 EGBDRO C[C@@]1(Cc2cccc(F)c2)CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000592138537 459533393 /nfs/dbraw/zinc/53/33/93/459533393.db2.gz SWVRUYAROZAXFR-KRWDZBQOSA-N 1 0 332.379 3.028 20 5 EGBDRO C[C@@H](C(=O)N(CC[NH+](C)C)C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000562300282 459533660 /nfs/dbraw/zinc/53/36/60/459533660.db2.gz AQEFJNBTPCTVHP-CQSZACIVSA-N 1 0 333.432 3.031 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCOC2(CCOCC2)CC1 ZINC000526061840 459541667 /nfs/dbraw/zinc/54/16/67/459541667.db2.gz BWFGEBCYSHUFOY-SSZFMOIBSA-N 1 0 346.427 3.270 20 5 EGBDRO COc1cc(C[N@@H+]2CC3(C[C@@H]2C)CCOCC3)c([N+](=O)[O-])cc1F ZINC000592184437 459544653 /nfs/dbraw/zinc/54/46/53/459544653.db2.gz PYMGYABVVNRMRY-LBPRGKRZSA-N 1 0 338.379 3.134 20 5 EGBDRO CCCN(C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C)[C@@H]1CC[N@H+](C)C1 ZINC000592252207 459560354 /nfs/dbraw/zinc/56/03/54/459560354.db2.gz XZTJNSWLRKPUAI-CQSZACIVSA-N 1 0 334.420 3.160 20 5 EGBDRO C[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000592272771 459566037 /nfs/dbraw/zinc/56/60/37/459566037.db2.gz GBIDJEVPOUXVAF-YVEFUNNKSA-N 1 0 341.367 3.324 20 5 EGBDRO COc1cc(NCC2(SC)CC[NH+](C)CC2)c([N+](=O)[O-])cc1C ZINC000596238163 459571405 /nfs/dbraw/zinc/57/14/05/459571405.db2.gz KKCIZCIWBMEHID-UHFFFAOYSA-N 1 0 339.461 3.151 20 5 EGBDRO [NH3+]C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)C1 ZINC000592294654 459572336 /nfs/dbraw/zinc/57/23/36/459572336.db2.gz XUDNTRGBHPYNLS-LBPRGKRZSA-N 1 0 349.456 3.050 20 5 EGBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC([NH2+]Cc2ccccc2)CC1 ZINC000596252000 459574962 /nfs/dbraw/zinc/57/49/62/459574962.db2.gz CGJYEFUSZXQEOK-UHFFFAOYSA-N 1 0 326.400 3.057 20 5 EGBDRO CC[C@@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC[C@@H]1[NH3+] ZINC000592332373 459575979 /nfs/dbraw/zinc/57/59/79/459575979.db2.gz XTASAMWYFFFHHY-MFKMUULPSA-N 1 0 333.413 3.009 20 5 EGBDRO C[C@@H](C[NH+]1CCC(C)CC1)Nc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000596487667 459654184 /nfs/dbraw/zinc/65/41/84/459654184.db2.gz JMBYUMJIULGMEZ-ZDUSSCGKSA-N 1 0 329.404 3.070 20 5 EGBDRO CCCC[C@@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CCC1 ZINC000543454901 459659524 /nfs/dbraw/zinc/65/95/24/459659524.db2.gz MXSDNOPVJOAQBO-QGZVFWFLSA-N 1 0 345.443 3.432 20 5 EGBDRO O=[N+]([O-])c1ccc(CO)c(-c2ccccc2C[C@H]2CCCC[NH2+]2)c1 ZINC000596634008 459705941 /nfs/dbraw/zinc/70/59/41/459705941.db2.gz CHKXJNIJPPJQPU-MRXNPFEDSA-N 1 0 326.396 3.439 20 5 EGBDRO CC(C)[C@@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000544070238 459724311 /nfs/dbraw/zinc/72/43/11/459724311.db2.gz MNXVYMIFOHLFBH-VQIMIIECSA-N 1 0 344.411 3.321 20 5 EGBDRO O=C(CC[NH+]1CCC2(CC2(F)F)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000593071838 459763853 /nfs/dbraw/zinc/76/38/53/459763853.db2.gz COSHJPPPZCWFFO-UHFFFAOYSA-N 1 0 339.342 3.045 20 5 EGBDRO CCC[C@H]1CCCC[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000544527957 459765299 /nfs/dbraw/zinc/76/52/99/459765299.db2.gz FAPZSRBRUHYXTA-HNNXBMFYSA-N 1 0 331.416 3.139 20 5 EGBDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000598261938 459841901 /nfs/dbraw/zinc/84/19/01/459841901.db2.gz JAZANKYMZUWJGV-GFCCVEGCSA-N 1 0 339.823 3.098 20 5 EGBDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000598266491 459844163 /nfs/dbraw/zinc/84/41/63/459844163.db2.gz YRNAFXUKRCWCFG-ZDUSSCGKSA-N 1 0 345.399 3.191 20 5 EGBDRO COc1ccc(CC[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1OC ZINC000574704379 459858299 /nfs/dbraw/zinc/85/82/99/459858299.db2.gz VLHHILBBOGCBRB-MRXNPFEDSA-N 1 0 342.395 3.432 20 5 EGBDRO O=[N+]([O-])c1cccc(F)c1C[N@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000609144413 459912755 /nfs/dbraw/zinc/91/27/55/459912755.db2.gz XQGZHMACZDPGAJ-GASCZTMLSA-N 1 0 341.386 3.302 20 5 EGBDRO C[C@H](O)C[C@@H]1CCC[N@@H+]1Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602474449 459954635 /nfs/dbraw/zinc/95/46/35/459954635.db2.gz OYFBHFZIIMVTIF-GWCFXTLKSA-N 1 0 332.322 3.349 20 5 EGBDRO Cc1ccccc1C[N@@H+]1CCCN(c2ncc([N+](=O)[O-])cc2C)CC1 ZINC000609383970 459955745 /nfs/dbraw/zinc/95/57/45/459955745.db2.gz ZRPGIQZQNJKFKI-UHFFFAOYSA-N 1 0 340.427 3.319 20 5 EGBDRO C[C@H](Cc1cccs1)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602509754 459975068 /nfs/dbraw/zinc/97/50/68/459975068.db2.gz KIIREMWOYFYSNT-CYBMUJFWSA-N 1 0 346.456 3.241 20 5 EGBDRO CCc1ccc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)s1 ZINC000602515884 459978841 /nfs/dbraw/zinc/97/88/41/459978841.db2.gz SOIUXUROPLPNIZ-UHFFFAOYSA-N 1 0 346.456 3.372 20 5 EGBDRO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)[C@]12CCCO2 ZINC000602564255 459999831 /nfs/dbraw/zinc/99/98/31/459999831.db2.gz RMLPXHMUMHKNRG-BNEJOLLZSA-N 1 0 334.416 3.280 20 5 EGBDRO CN(CC[NH+]1CCCCC1)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000593883987 460010332 /nfs/dbraw/zinc/01/03/32/460010332.db2.gz PMEKYXOLEKERSY-UHFFFAOYSA-N 1 0 347.440 3.367 20 5 EGBDRO C[N@@H+]1CC[C@H]2CCN(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000602588523 460012259 /nfs/dbraw/zinc/01/22/59/460012259.db2.gz AWDPOPFVNROXQY-XHDPSFHLSA-N 1 0 343.349 3.140 20 5 EGBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 ZINC000602597437 460016038 /nfs/dbraw/zinc/01/60/38/460016038.db2.gz CUNPJARLMWZKPL-UMSPYCQHSA-N 1 0 333.413 3.057 20 5 EGBDRO O=[N+]([O-])c1cc(N2CC[C@@H]([NH+]3CCCC3)C2)ccc1C(F)(F)F ZINC000589114255 460032752 /nfs/dbraw/zinc/03/27/52/460032752.db2.gz RJEYLGIGLWPGSE-GFCCVEGCSA-N 1 0 329.322 3.288 20 5 EGBDRO CO[C@H](c1ccccc1)[C@@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000602637210 460035693 /nfs/dbraw/zinc/03/56/93/460035693.db2.gz MUNJGKDFTUTIKY-XIKOKIGWSA-N 1 0 340.383 3.337 20 5 EGBDRO CO[C@](C)(C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)c1ccccc1 ZINC000602677584 460059657 /nfs/dbraw/zinc/05/96/57/460059657.db2.gz YYYYBQPDNPUISA-GOSISDBHSA-N 1 0 341.367 3.387 20 5 EGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@H]2Cc3ccccc32)n1 ZINC000618568265 460064811 /nfs/dbraw/zinc/06/48/11/460064811.db2.gz ZZFCDAXQNIHSIL-HYVNUMGLSA-N 1 0 326.400 3.205 20 5 EGBDRO COc1cc(C[N@@H+]2C[C@@H](C)C[C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000610133519 460070229 /nfs/dbraw/zinc/07/02/29/460070229.db2.gz ZICHOWIFCZJVRQ-VHSXEESVSA-N 1 0 330.331 3.435 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594057764 460078991 /nfs/dbraw/zinc/07/89/91/460078991.db2.gz ACQNJDGFWVQCBP-ZBFHGGJFSA-N 1 0 332.404 3.042 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CC[C@H](OCc2ccccn2)C1 ZINC000602715011 460081552 /nfs/dbraw/zinc/08/15/52/460081552.db2.gz LHDJAECWJGGQLP-YEODSOHDSA-N 1 0 339.395 3.294 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CC[C@@H](OCc2ccccn2)C1 ZINC000602715009 460082745 /nfs/dbraw/zinc/08/27/45/460082745.db2.gz LHDJAECWJGGQLP-LZCIBIBXSA-N 1 0 339.395 3.294 20 5 EGBDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000610281938 460107127 /nfs/dbraw/zinc/10/71/27/460107127.db2.gz DFBWGRJGDYSVMF-MRXNPFEDSA-N 1 0 329.375 3.445 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H]1CCc1ccccc1 ZINC000602766027 460114364 /nfs/dbraw/zinc/11/43/64/460114364.db2.gz NZBKJQJMNDHVIR-KRWDZBQOSA-N 1 0 328.416 3.197 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@H](Cc2ccccc2)[C@H]1C ZINC000602781191 460122555 /nfs/dbraw/zinc/12/25/55/460122555.db2.gz IGLYGKIXIMFXED-PBHICJAKSA-N 1 0 328.416 3.053 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+]C1(c2ccc(Cl)cc2)CCC1 ZINC000602793424 460128946 /nfs/dbraw/zinc/12/89/46/460128946.db2.gz WUFVQSJHLDJKMP-UHFFFAOYSA-N 1 0 334.807 3.422 20 5 EGBDRO COc1cccc([C@@H]2C[C@H](C)C[N@@H+]2CCn2c(C)ncc2[N+](=O)[O-])c1 ZINC000602801468 460133633 /nfs/dbraw/zinc/13/36/33/460133633.db2.gz DKVRMOXNJRPXKP-GUYCJALGSA-N 1 0 344.415 3.191 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](C)c1c(F)cccc1Cl ZINC000602804042 460137430 /nfs/dbraw/zinc/13/74/30/460137430.db2.gz HHTPCWICVNKEAF-SECBINFHSA-N 1 0 326.759 3.243 20 5 EGBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+]2CCC(C3CCCC3)CC2)c1 ZINC000610370794 460138508 /nfs/dbraw/zinc/13/85/08/460138508.db2.gz JJOUIPTVGWGBIN-SFHVURJKSA-N 1 0 348.443 3.237 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H]1c1ccc(F)cc1C ZINC000602837316 460151799 /nfs/dbraw/zinc/15/17/99/460151799.db2.gz MDGFWXMAUHQANJ-MRXNPFEDSA-N 1 0 332.379 3.384 20 5 EGBDRO CN(CC[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)CC(F)F ZINC000599095943 460160729 /nfs/dbraw/zinc/16/07/29/460160729.db2.gz ZBKYAMJLTBOCNT-AWEZNQCLSA-N 1 0 327.375 3.104 20 5 EGBDRO CCOc1cc(C[N@@H+]2CC[C@H](O)[C@H]3CCCC[C@H]32)ccc1[N+](=O)[O-] ZINC000602997425 460215537 /nfs/dbraw/zinc/21/55/37/460215537.db2.gz JPVQNBLFASHBRA-UXLLHSPISA-N 1 0 334.416 3.119 20 5 EGBDRO C[C@@H]1CC(F)(F)CCN1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000599624691 460290579 /nfs/dbraw/zinc/29/05/79/460290579.db2.gz WJSQUQXBDWCCPL-SNVBAGLBSA-N 1 0 338.314 3.264 20 5 EGBDRO COc1ccc(NC(=O)C[N@@H+]2CCCC23CCCCC3)c([N+](=O)[O-])c1 ZINC000611153851 460297368 /nfs/dbraw/zinc/29/73/68/460297368.db2.gz ZUKLYXFNEKEBJR-UHFFFAOYSA-N 1 0 347.415 3.341 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000599697409 460314821 /nfs/dbraw/zinc/31/48/21/460314821.db2.gz YHMRASRYLNLRLQ-INIZCTEOSA-N 1 0 346.431 3.432 20 5 EGBDRO CC[N@H+](CCc1cccs1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611258548 460320767 /nfs/dbraw/zinc/32/07/67/460320767.db2.gz XPZCPUANIZCQPB-UHFFFAOYSA-N 1 0 348.424 3.492 20 5 EGBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@H]2C2CCCCC2)c1 ZINC000603840436 460346148 /nfs/dbraw/zinc/34/61/48/460346148.db2.gz BSBWOZYZWCQLKS-MJGOQNOKSA-N 1 0 348.443 3.379 20 5 EGBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]CCCc1ccccc1F)OCCO2 ZINC000619433896 460355572 /nfs/dbraw/zinc/35/55/72/460355572.db2.gz LUTIDVOHVQKMOM-UHFFFAOYSA-N 1 0 346.358 3.228 20 5 EGBDRO COC1CC[NH+](C2(CNc3sccc3[N+](=O)[O-])CCCC2)CC1 ZINC000611412584 460359386 /nfs/dbraw/zinc/35/93/86/460359386.db2.gz HWCAYBXCQWUORG-UHFFFAOYSA-N 1 0 339.461 3.492 20 5 EGBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000619476219 460366867 /nfs/dbraw/zinc/36/68/67/460366867.db2.gz SHKSYPCIIGXFJJ-UHFFFAOYSA-N 1 0 349.479 3.212 20 5 EGBDRO O=[N+]([O-])c1cccc(N2CC[NH+](Cc3ccc4[nH]ccc4c3)CC2)c1 ZINC000600113319 460387790 /nfs/dbraw/zinc/38/77/90/460387790.db2.gz QSDHEDKBBVOHNH-UHFFFAOYSA-N 1 0 336.395 3.398 20 5 EGBDRO C[C@H]1CC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC12CCC2 ZINC000611531986 460390221 /nfs/dbraw/zinc/39/02/21/460390221.db2.gz JILWXOWSZCJTQY-ZDUSSCGKSA-N 1 0 332.400 3.378 20 5 EGBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000600316257 460472576 /nfs/dbraw/zinc/47/25/76/460472576.db2.gz YMNTXZFWYZYGTF-SJORKVTESA-N 1 0 347.459 3.012 20 5 EGBDRO COc1cc(C(=O)Nc2ccccc2C[NH+](C)C)cc([N+](=O)[O-])c1C ZINC000616225507 460504479 /nfs/dbraw/zinc/50/44/79/460504479.db2.gz OKWCSXQNOIZPOU-UHFFFAOYSA-N 1 0 343.383 3.226 20 5 EGBDRO CCOc1cc(C[N@@H+]2CCOCC3(CCCC3)C2)ccc1[N+](=O)[O-] ZINC000617221285 460778322 /nfs/dbraw/zinc/77/83/22/460778322.db2.gz WTCFIAOIHKJWFK-UHFFFAOYSA-N 1 0 334.416 3.386 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000163682263 534333991 /nfs/dbraw/zinc/33/39/91/534333991.db2.gz DZHKPMQJYPRPAT-OAHLLOKOSA-N 1 0 333.432 3.001 20 5 EGBDRO CC[C@@H]1CO[C@@H](C)C[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000264143634 535841455 /nfs/dbraw/zinc/84/14/55/535841455.db2.gz BWVDQHAGRDRBTP-DZGCQCFKSA-N 1 0 345.399 3.292 20 5 EGBDRO C[C@@H]1C[C@@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C[N@@H+]1C1CC1 ZINC000177211550 547024217 /nfs/dbraw/zinc/02/42/17/547024217.db2.gz GAHVHBMKDZSMIQ-ZYHUDNBSSA-N 1 0 345.424 3.165 20 5 EGBDRO O=[N+]([O-])c1ccc2c(cnn2C[N@@H+]2CC[C@H](Cc3ccccc3)C2)c1 ZINC000742152782 576752359 /nfs/dbraw/zinc/75/23/59/576752359.db2.gz MGJSBWPQZOMJQI-MRXNPFEDSA-N 1 0 336.395 3.467 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)O[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000744112930 576820706 /nfs/dbraw/zinc/82/07/06/576820706.db2.gz MKWNUEDGEGLBCI-MRXNPFEDSA-N 1 0 340.379 3.335 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1C ZINC000884294964 1302799169 /nfs/dbraw/zinc/79/91/69/1302799169.db2.gz NBCJCGNEJKBOHD-HOTGVXAUSA-N 1 0 345.443 3.063 20 5 EGBDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000831000774 1292799110 /nfs/dbraw/zinc/79/91/10/1292799110.db2.gz GHVXIIOYCMDQST-PWSUYJOCSA-N 1 0 347.198 3.333 20 5 EGBDRO CCCN(C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CC[N@H+](C)C1 ZINC000831067828 1292804382 /nfs/dbraw/zinc/80/43/82/1292804382.db2.gz FREPCWBATAZOET-LBPRGKRZSA-N 1 0 340.811 3.196 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2ncn(C[N@@H+]3CCC[C@H]3C3CCC3)n2)c1 ZINC000102885708 1292984410 /nfs/dbraw/zinc/98/44/10/1292984410.db2.gz DFRPFPPZAPDHSG-INIZCTEOSA-N 1 0 327.388 3.075 20 5 EGBDRO CC[NH+](CC)[C@H](CNC(=O)c1cc(F)ccc1[N+](=O)[O-])CC(C)C ZINC000112914997 1293137134 /nfs/dbraw/zinc/13/71/34/1293137134.db2.gz DXDRSWDGUHPRQR-AWEZNQCLSA-N 1 0 339.411 3.220 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCN3CCCCCC3)CC2)cc1 ZINC000124010262 1293464009 /nfs/dbraw/zinc/46/40/09/1293464009.db2.gz BEGVLLCYDIJVMS-UHFFFAOYSA-N 1 0 346.475 3.029 20 5 EGBDRO O=C(CC[NH+](CC1CC1)CC1CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000129078564 1293613326 /nfs/dbraw/zinc/61/33/26/1293613326.db2.gz QOVPGHDLCMSFPD-UHFFFAOYSA-N 1 0 335.379 3.185 20 5 EGBDRO C[N@H+](CCc1cccs1)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000173408371 1294461429 /nfs/dbraw/zinc/46/14/29/1294461429.db2.gz PTBRBLLJHGHYTJ-UHFFFAOYSA-N 1 0 343.412 3.047 20 5 EGBDRO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC3(CCCC3)C2)c([N+](=O)[O-])c1 ZINC000173820477 1294471041 /nfs/dbraw/zinc/47/10/41/1294471041.db2.gz QENXJPDSQHNUTF-ZDUSSCGKSA-N 1 0 347.415 3.197 20 5 EGBDRO CC[C@H](NC(=O)C[C@@H](C)[C@H]1CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000262615983 1296642279 /nfs/dbraw/zinc/64/22/79/1296642279.db2.gz DAVODGJIYWVCGN-KMFMINBZSA-N 1 0 333.432 3.188 20 5 EGBDRO COC[C@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC)[C@H]1CCCO1 ZINC000872066323 1296711738 /nfs/dbraw/zinc/71/17/38/1296711738.db2.gz HBVFOPKQYNJCFG-TUKIKUTGSA-N 1 0 340.445 3.161 20 5 EGBDRO Cc1c(C[NH2+][C@H]2CCN(Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000301963365 1296796025 /nfs/dbraw/zinc/79/60/25/1296796025.db2.gz XTPXIPGAKXVOEO-SFHVURJKSA-N 1 0 325.412 3.267 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000309887887 1297077060 /nfs/dbraw/zinc/07/70/60/1297077060.db2.gz RXSZEMVWWKBXSW-GOSISDBHSA-N 1 0 325.412 3.001 20 5 EGBDRO Cc1c(C[NH2+]C[C@@]2(CO)C[C@H]2c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000873114603 1297276542 /nfs/dbraw/zinc/27/65/42/1297276542.db2.gz MHRFPMLYBLFYIG-PKOBYXMFSA-N 1 0 344.386 3.298 20 5 EGBDRO CC(=O)N(C)c1ccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000873142416 1297296352 /nfs/dbraw/zinc/29/63/52/1297296352.db2.gz CJBPOWHGOPFVQV-UHFFFAOYSA-N 1 0 327.384 3.176 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000874104608 1297788637 /nfs/dbraw/zinc/78/86/37/1297788637.db2.gz KPLZWHNLNBTGKH-ZDUSSCGKSA-N 1 0 333.432 3.063 20 5 EGBDRO Cc1ccc(C[NH2+][C@H](C)CN(C)C(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000701876567 1298189534 /nfs/dbraw/zinc/18/95/34/1298189534.db2.gz BYPQHXWJUZMGGB-CYBMUJFWSA-N 1 0 337.420 3.248 20 5 EGBDRO C[C@H]([NH2+]C[C@H]1CCN1C(=O)OC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000724953548 1298351209 /nfs/dbraw/zinc/35/12/09/1298351209.db2.gz RXBKKPABTSOOLH-SWLSCSKDSA-N 1 0 335.404 3.255 20 5 EGBDRO COCCN(Cc1ccc(C)cc1C)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000746051735 1298518231 /nfs/dbraw/zinc/51/82/31/1298518231.db2.gz QLVNILCBTXUUKG-UHFFFAOYSA-N 1 0 346.431 3.131 20 5 EGBDRO COc1ccc([C@H](CO)[N@H+](C)Cc2c(C)ccc([N+](=O)[O-])c2C)cc1 ZINC000876737848 1298948882 /nfs/dbraw/zinc/94/88/82/1298948882.db2.gz UNTHMVTYRVHQFY-IBGZPJMESA-N 1 0 344.411 3.386 20 5 EGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@@H](O)c2ccc(F)c(F)c2)c1 ZINC000748815497 1299085780 /nfs/dbraw/zinc/08/57/80/1299085780.db2.gz JZMKXCBJZCPVHC-OAHLLOKOSA-N 1 0 342.729 3.350 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[NH2+]CC2([C@H](O)c3ccccc3)CC2)cc1 ZINC000877112998 1299161289 /nfs/dbraw/zinc/16/12/89/1299161289.db2.gz XITVOVCQBKJZQV-GOSISDBHSA-N 1 0 326.396 3.241 20 5 EGBDRO [NH3+][C@H](C[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)C1)C1CCCC1 ZINC000877447484 1299307002 /nfs/dbraw/zinc/30/70/02/1299307002.db2.gz DFSXEHFUXFMWDZ-RDTXWAMCSA-N 1 0 345.443 3.355 20 5 EGBDRO C[C@@H]1c2ccc(F)cc2CC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750080144 1299335262 /nfs/dbraw/zinc/33/52/62/1299335262.db2.gz HZFUFRWQWRRACH-XIKOKIGWSA-N 1 0 330.359 3.387 20 5 EGBDRO CC(C)(C)OC(=O)N[C@H]1C[C@H](C[NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000877730761 1299509045 /nfs/dbraw/zinc/50/90/45/1299509045.db2.gz HEYUEYSVFBKHLS-SHTZXODSSA-N 1 0 349.431 3.030 20 5 EGBDRO CO[C@@H]1C[C@H]([NH2+]Cc2c(Br)cccc2[N+](=O)[O-])C1(C)C ZINC000753374306 1299924377 /nfs/dbraw/zinc/92/43/77/1299924377.db2.gz SXCPILGSXULALO-QWHCGFSZSA-N 1 0 343.221 3.260 20 5 EGBDRO CC(C)COC[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000754304448 1300120073 /nfs/dbraw/zinc/12/00/73/1300120073.db2.gz ZHTNFEHZAMPRIK-IRXDYDNUSA-N 1 0 348.399 3.225 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])s1 ZINC000754679001 1300189488 /nfs/dbraw/zinc/18/94/88/1300189488.db2.gz OEGPYKZETVMHIC-OLZOCXBDSA-N 1 0 336.413 3.055 20 5 EGBDRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000758278051 1300841054 /nfs/dbraw/zinc/84/10/54/1300841054.db2.gz BVBMPODKYNNUDG-UHFFFAOYSA-N 1 0 345.374 3.068 20 5 EGBDRO Cc1nn(C[N@H+]2CCC[C@@H](CC(C)C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000759135297 1301022413 /nfs/dbraw/zinc/02/24/13/1301022413.db2.gz MSWPZNANKQMWPQ-AWEZNQCLSA-N 1 0 331.420 3.364 20 5 EGBDRO CC(C)([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(C(F)(F)F)cc1 ZINC000880383895 1301096232 /nfs/dbraw/zinc/09/62/32/1301096232.db2.gz NDVIAHGAQCHNJU-UHFFFAOYSA-N 1 0 342.321 3.335 20 5 EGBDRO COC(=O)C1(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CCCCC1 ZINC000761534939 1301492711 /nfs/dbraw/zinc/49/27/11/1301492711.db2.gz UICPULMDVDICMA-UHFFFAOYSA-N 1 0 340.807 3.461 20 5 EGBDRO COc1ccc(C[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)cc1[N+](=O)[O-] ZINC000762614235 1301713063 /nfs/dbraw/zinc/71/30/63/1301713063.db2.gz LKMKDLPPOZDFOD-DFBGVHRSSA-N 1 0 340.470 3.073 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H]2COc3c2cccc3Cl)cc1 ZINC000765850266 1302338312 /nfs/dbraw/zinc/33/83/12/1302338312.db2.gz WPZVRHLZYFOQFW-LSDHHAIUSA-N 1 0 334.759 3.005 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCCC(F)(F)F)CC2)cc1 ZINC000766351629 1302435970 /nfs/dbraw/zinc/43/59/70/1302435970.db2.gz DEWAKBWOSXDJHO-UHFFFAOYSA-N 1 0 331.338 3.496 20 5 EGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](O)CC(C)C ZINC000768100046 1302823779 /nfs/dbraw/zinc/82/37/79/1302823779.db2.gz OFYHOSUWEPRKOJ-KGLIPLIRSA-N 1 0 326.462 3.462 20 5 EGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)Cc1cnccn1 ZINC000768100796 1302824574 /nfs/dbraw/zinc/82/45/74/1302824574.db2.gz YFBAWQBRMMZICF-KGLIPLIRSA-N 1 0 346.456 3.476 20 5 EGBDRO Cc1[nH]c(C2CCN(c3ncc(Cl)cc3[N+](=O)[O-])CC2)[nH+]c1C ZINC000884707436 1302959852 /nfs/dbraw/zinc/95/98/52/1302959852.db2.gz LJDUWSJMBWTFNL-UHFFFAOYSA-N 1 0 335.795 3.367 20 5 EGBDRO CC[N@H+](CCc1ccccn1)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000769032133 1303034111 /nfs/dbraw/zinc/03/41/11/1303034111.db2.gz BGIPEAKAJDDXCM-UHFFFAOYSA-N 1 0 345.399 3.072 20 5 EGBDRO C[N@H+](Cc1cccnc1[N+](=O)[O-])[C@H]1CCCN(c2ccccc2)C1 ZINC000886033499 1303328087 /nfs/dbraw/zinc/32/80/87/1303328087.db2.gz VOGPEEOXWLVSKG-KRWDZBQOSA-N 1 0 326.400 3.091 20 5 EGBDRO CC[C@H]([NH2+]Cc1cccnc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 ZINC000886109134 1303357834 /nfs/dbraw/zinc/35/78/34/1303357834.db2.gz CJBHWBRYGMHKEX-AWEZNQCLSA-N 1 0 329.356 3.002 20 5 EGBDRO C[C@@H](CNC(=O)OC(C)(C)C)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000774379834 1303804138 /nfs/dbraw/zinc/80/41/38/1303804138.db2.gz GHXMQJWYTCYZDF-LRDDRELGSA-N 1 0 349.431 3.475 20 5 EGBDRO C[C@@H](Cc1cccc(F)c1)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000775179218 1303920671 /nfs/dbraw/zinc/92/06/71/1303920671.db2.gz LRZPGUJMMROLNN-NSHDSACASA-N 1 0 328.347 3.331 20 5 EGBDRO COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000775992950 1304076156 /nfs/dbraw/zinc/07/61/56/1304076156.db2.gz NMIJOTRCEJHHPE-BLLLJJGKSA-N 1 0 340.807 3.460 20 5 EGBDRO COC(=O)[C@@H]1CCCC[C@]1(C)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000775993256 1304076323 /nfs/dbraw/zinc/07/63/23/1304076323.db2.gz RXWGCCTVRGEAOK-BBRMVZONSA-N 1 0 340.807 3.460 20 5 EGBDRO CCCCO[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000776155251 1304103448 /nfs/dbraw/zinc/10/34/48/1304103448.db2.gz FCDKIUVOOMMKIX-IXDOHACOSA-N 1 0 336.432 3.202 20 5 EGBDRO CCCCO[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000776155249 1304103580 /nfs/dbraw/zinc/10/35/80/1304103580.db2.gz FCDKIUVOOMMKIX-BRWVUGGUSA-N 1 0 336.432 3.202 20 5 EGBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)NCC1CC[NH+](C)CC1 ZINC000888288655 1304103986 /nfs/dbraw/zinc/10/39/86/1304103986.db2.gz UGXMWQJKTXENEK-UHFFFAOYSA-N 1 0 340.811 3.020 20 5 EGBDRO Cc1ccc(C)n1C1CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776582036 1304174623 /nfs/dbraw/zinc/17/46/23/1304174623.db2.gz OSOXPQDCSMQQJW-IBGZPJMESA-N 1 0 343.427 3.384 20 5 EGBDRO Cc1ccc(C)n1C1CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776582037 1304175277 /nfs/dbraw/zinc/17/52/77/1304175277.db2.gz OSOXPQDCSMQQJW-LJQANCHMSA-N 1 0 343.427 3.384 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C2(c3nccs3)CCCC2)cc1 ZINC000776590703 1304176075 /nfs/dbraw/zinc/17/60/75/1304176075.db2.gz HAXUKAORZCJQLG-CQSZACIVSA-N 1 0 333.413 3.144 20 5 EGBDRO C[NH+](C)Cc1ccccc1NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778234106 1304425164 /nfs/dbraw/zinc/42/51/64/1304425164.db2.gz JZBFBOWFZBZAFD-UHFFFAOYSA-N 1 0 349.337 3.387 20 5 EGBDRO C[C@H](C1CC[NH+](C)CC1)N(C)c1nc2ccc([N+](=O)[O-])cc2s1 ZINC000779428912 1304570950 /nfs/dbraw/zinc/57/09/50/1304570950.db2.gz KBILNMHBFPXBRI-LLVKDONJSA-N 1 0 334.445 3.371 20 5 EGBDRO Cc1nn(C[N@@H+]2CCCC3(CCCC3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000783542822 1305105397 /nfs/dbraw/zinc/10/53/97/1305105397.db2.gz LPLIGVWNDSAMBN-UHFFFAOYSA-N 1 0 329.404 3.262 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2cnn(CC(F)(F)F)c2)cc1Cl ZINC000783649970 1305123046 /nfs/dbraw/zinc/12/30/46/1305123046.db2.gz ISGAFMWBQHDAKA-UHFFFAOYSA-N 1 0 348.712 3.297 20 5 EGBDRO CCS[C@H]1CC[C@H]([N@H+](C)Cc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC000892197576 1305278964 /nfs/dbraw/zinc/27/89/64/1305278964.db2.gz RPVMUIABRIBASV-STQMWFEESA-N 1 0 340.445 3.415 20 5 EGBDRO COc1ccc([C@@H](O)C[NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)cc1 ZINC000786807989 1305633052 /nfs/dbraw/zinc/63/30/52/1305633052.db2.gz GVFNEFFBOFMGEE-ATEOEAFZSA-N 1 0 342.395 3.330 20 5 EGBDRO COC(=O)C1CCC([NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000786812701 1305633911 /nfs/dbraw/zinc/63/39/11/1305633911.db2.gz IYTYQGRSUYBMGH-RAXLEYEMSA-N 1 0 332.400 3.320 20 5 EGBDRO C[C@](O)(C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])c1ccsc1 ZINC000893000254 1305648287 /nfs/dbraw/zinc/64/82/87/1305648287.db2.gz JTIJXJVJVBLEEV-AWEZNQCLSA-N 1 0 326.805 3.307 20 5 EGBDRO COc1c(O)ccc(C[NH2+]C[C@H](C)Oc2ccccc2C)c1[N+](=O)[O-] ZINC000893060392 1305684270 /nfs/dbraw/zinc/68/42/70/1305684270.db2.gz KLUMGWLGOXWIOS-ZDUSSCGKSA-N 1 0 346.383 3.175 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCCC[C@H]1C1OCCO1 ZINC000787407852 1305741809 /nfs/dbraw/zinc/74/18/09/1305741809.db2.gz WCGSUVRTTNJZLF-WKOYGUFESA-N 1 0 332.400 3.226 20 5 EGBDRO COc1c(O)ccc(C[NH2+]C[C@H](SC)C(C)(C)C)c1[N+](=O)[O-] ZINC000893521547 1305947499 /nfs/dbraw/zinc/94/74/99/1305947499.db2.gz YWFVOSSTNKKLQG-LBPRGKRZSA-N 1 0 328.434 3.176 20 5 EGBDRO C[C@H](NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788541162 1305967655 /nfs/dbraw/zinc/96/76/55/1305967655.db2.gz XALXFMJGTMRPLC-ZNMIVQPWSA-N 1 0 334.464 3.196 20 5 EGBDRO COc1c(O)ccc(C[NH2+][C@H]2C[C@H](c3ccccc3)C2)c1[N+](=O)[O-] ZINC000894213630 1306280845 /nfs/dbraw/zinc/28/08/45/1306280845.db2.gz KSSCYAGLUVPSBH-SHTZXODSSA-N 1 0 328.368 3.345 20 5 EGBDRO COc1c(O)ccc(CN2CCC[C@@H]2c2ccncc2)c1[N+](=O)[O-] ZINC000894448684 1308895677 /nfs/dbraw/zinc/89/56/77/1308895677.db2.gz FAETVFCTOXHMCN-CQSZACIVSA-N 1 0 329.356 3.041 20 5 EGBDRO Cc1nnc([C@H](C)[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])[nH]1 ZINC000894772772 1309061360 /nfs/dbraw/zinc/06/13/60/1309061360.db2.gz BHNYGVYLOBYGOL-CORIIIEPSA-N 1 0 329.404 3.083 20 5 EGBDRO CCC[C@@]1(COC)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792883135 1309250020 /nfs/dbraw/zinc/25/00/20/1309250020.db2.gz WOCVEFLKDJWQCE-INIZCTEOSA-N 1 0 337.376 3.284 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+]CCc2ccc3c[nH]nc3c2)cc1Cl ZINC000793608525 1309414997 /nfs/dbraw/zinc/41/49/97/1309414997.db2.gz KOZKWBQRPBBXIU-UHFFFAOYSA-N 1 0 330.775 3.457 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CCC(C(=O)OC(C)C)CC1 ZINC000895827511 1309541254 /nfs/dbraw/zinc/54/12/54/1309541254.db2.gz LUBIORSMYYRJHA-UHFFFAOYSA-N 1 0 334.416 3.375 20 5 EGBDRO Cc1[nH+]cc2n1C[C@H](c1nc(-c3ccc(C)c([N+](=O)[O-])c3)no1)CC2 ZINC000896014968 1309653115 /nfs/dbraw/zinc/65/31/15/1309653115.db2.gz MPCDZMHWXFFGEG-CYBMUJFWSA-N 1 0 339.355 3.188 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CCCCF)CC2)c(C(F)(F)F)c1 ZINC000795891166 1309855961 /nfs/dbraw/zinc/85/59/61/1309855961.db2.gz SVLHNFSVLMYCHU-UHFFFAOYSA-N 1 0 349.328 3.485 20 5 EGBDRO O=C(C[N@H+](CC1CC1)C1CCC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000796577653 1310038975 /nfs/dbraw/zinc/03/89/75/1310038975.db2.gz PJVBGFUNFRAYHE-UHFFFAOYSA-N 1 0 337.807 3.451 20 5 EGBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)OCCC[NH+]1CCCCC1 ZINC000800220752 1310705128 /nfs/dbraw/zinc/70/51/28/1310705128.db2.gz WQVRQLXWNUDJFR-UHFFFAOYSA-N 1 0 340.807 3.210 20 5 EGBDRO CC[C@H]1CN(c2cc(N)ccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000800862930 1310821375 /nfs/dbraw/zinc/82/13/75/1310821375.db2.gz BPTSWJOPNVZMOA-KRWDZBQOSA-N 1 0 340.427 3.278 20 5 EGBDRO C[N@@H+]1CCCC[C@H](CNC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000929212475 1328538681 /nfs/dbraw/zinc/53/86/81/1328538681.db2.gz QNOBPZMZFLLAOJ-LLVKDONJSA-N 1 0 340.811 3.102 20 5 EGBDRO CC[C@H](C)[NH2+][C@@H](CNc1nc2ccccn2c1[N+](=O)[O-])c1ccco1 ZINC000804780456 1317280350 /nfs/dbraw/zinc/28/03/50/1317280350.db2.gz BVYMBAKYMALZOY-STQMWFEESA-N 1 0 343.387 3.377 20 5 EGBDRO CCCNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000805776576 1317424361 /nfs/dbraw/zinc/42/43/61/1317424361.db2.gz RGRPKJDGLOJGJS-INIZCTEOSA-N 1 0 335.404 3.086 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1ccc(CCO)cc1)CCC2 ZINC000903402698 1317696688 /nfs/dbraw/zinc/69/66/88/1317696688.db2.gz GJWWLMRLVHNFIE-LJQANCHMSA-N 1 0 326.396 3.297 20 5 EGBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(CCO)cc2)cc1[N+](=O)[O-] ZINC000903402942 1317697123 /nfs/dbraw/zinc/69/71/23/1317697123.db2.gz JCHRSBYZDLFUSJ-CQSZACIVSA-N 1 0 344.411 3.379 20 5 EGBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000903713536 1317724571 /nfs/dbraw/zinc/72/45/71/1317724571.db2.gz UQBNCTVNFLQRQN-MFKMUULPSA-N 1 0 342.237 3.059 20 5 EGBDRO CCOc1ccc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)cc1F ZINC000809734914 1317883597 /nfs/dbraw/zinc/88/35/97/1317883597.db2.gz OCGRILDMCKKFKZ-UHFFFAOYSA-N 1 0 333.363 3.098 20 5 EGBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809970123 1317927609 /nfs/dbraw/zinc/92/76/09/1317927609.db2.gz ODAGNZSQDFSRIW-UWVGGRQHSA-N 1 0 332.231 3.426 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(-c2nc(C3C[C@H]4CC[C@@H](C3)[NH2+]4)no2)c1C ZINC000905310835 1317947058 /nfs/dbraw/zinc/94/70/58/1317947058.db2.gz OXZCVOWVZYSQRN-YHWZYXNKSA-N 1 0 328.372 3.260 20 5 EGBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000810235027 1317983221 /nfs/dbraw/zinc/98/32/21/1317983221.db2.gz KHCSSCRRBYJLDG-LLVKDONJSA-N 1 0 342.827 3.490 20 5 EGBDRO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@](CO)(c3ccccc3)C2)cc1Cl ZINC000812781493 1318453424 /nfs/dbraw/zinc/45/34/24/1318453424.db2.gz WHUFRYSXEWUIKK-SFHVURJKSA-N 1 0 346.814 3.384 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@H]2O)cc1 ZINC000812841258 1318469194 /nfs/dbraw/zinc/46/91/94/1318469194.db2.gz OHFONBFZVKNYPJ-WJFTUGDTSA-N 1 0 348.443 3.034 20 5 EGBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000815579621 1319019486 /nfs/dbraw/zinc/01/94/86/1319019486.db2.gz RDDSZONEIDFEOF-ZJUUUORDSA-N 1 0 341.371 3.171 20 5 EGBDRO COCC1(CC[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCC1 ZINC000815641600 1319034191 /nfs/dbraw/zinc/03/41/91/1319034191.db2.gz CMSKFCLBAPJLLJ-UHFFFAOYSA-N 1 0 347.459 3.360 20 5 EGBDRO COc1cc([C@@H](C)[NH2+]CC[N+](=O)[O-])ccc1OCc1ccccc1 ZINC000930203050 1328810688 /nfs/dbraw/zinc/81/06/88/1328810688.db2.gz ZFFHNPNIDULKKM-CQSZACIVSA-N 1 0 330.384 3.202 20 5 EGBDRO C[C@@H]([NH2+]C[C@@H](O)CCOCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000930208249 1328811922 /nfs/dbraw/zinc/81/19/22/1328811922.db2.gz LCWMOMXVNWHTFV-BEFAXECRSA-N 1 0 344.411 3.213 20 5 EGBDRO COc1ccc([C@@H](Cc2ccccc2C)[NH2+]CC[N+](=O)[O-])cc1OC ZINC000930210995 1328813233 /nfs/dbraw/zinc/81/32/33/1328813233.db2.gz RJZYTOLPZXZRSQ-QGZVFWFLSA-N 1 0 344.411 3.162 20 5 EGBDRO C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000817907828 1319458266 /nfs/dbraw/zinc/45/82/66/1319458266.db2.gz XISNLYBOBKWXSK-PXAZEXFGSA-N 1 0 333.819 3.296 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCCSc2ccccc2)c1 ZINC000818942415 1319583051 /nfs/dbraw/zinc/58/30/51/1319583051.db2.gz JGARRALNVCOENC-KRWDZBQOSA-N 1 0 332.425 3.400 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCCCOc2ccc(F)cc2)cc1 ZINC000818945231 1319583974 /nfs/dbraw/zinc/58/39/74/1319583974.db2.gz YIBKFRFBLWRRBT-GOSISDBHSA-N 1 0 348.374 3.216 20 5 EGBDRO CC(C)Oc1ccc(CC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000818955499 1319589470 /nfs/dbraw/zinc/58/94/70/1319589470.db2.gz YBLITXFNKWHIJG-IBGZPJMESA-N 1 0 344.411 3.248 20 5 EGBDRO COc1ccc(CC[C@@H](C)[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000818981193 1319602169 /nfs/dbraw/zinc/60/21/69/1319602169.db2.gz SAGIMNSILJMHEF-AUUYWEPGSA-N 1 0 344.411 3.248 20 5 EGBDRO Cc1ccc2c(CC[NH2+]C[C@@H](O)c3cccc([N+](=O)[O-])c3)c[nH]c2c1 ZINC000818989311 1319607037 /nfs/dbraw/zinc/60/70/37/1319607037.db2.gz KRNPUXLCWOSLAO-LJQANCHMSA-N 1 0 339.395 3.250 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2CCCOc3ccccc32)c1 ZINC000818993596 1319609300 /nfs/dbraw/zinc/60/93/00/1319609300.db2.gz KLSYFMLKPBORFV-DLBZAZTESA-N 1 0 328.368 3.132 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCCc2c[nH]c3ccccc23)cc1 ZINC000819035314 1319619082 /nfs/dbraw/zinc/61/90/82/1319619082.db2.gz VDHJVWUINTUZKT-IBGZPJMESA-N 1 0 339.395 3.332 20 5 EGBDRO C[C@H](C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)Sc1ccccc1 ZINC000819116733 1319640598 /nfs/dbraw/zinc/64/05/98/1319640598.db2.gz YEZHRCRDTIBJLC-DYVFJYSZSA-N 1 0 332.425 3.399 20 5 EGBDRO CSc1cc(C)ccc1C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819148617 1319648918 /nfs/dbraw/zinc/64/89/18/1319648918.db2.gz BOUCEFCGIZKFJD-MRXNPFEDSA-N 1 0 332.425 3.448 20 5 EGBDRO CCCOc1cccc(CC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000819178402 1319658674 /nfs/dbraw/zinc/65/86/74/1319658674.db2.gz ABEIAFNRIVFBEI-LJQANCHMSA-N 1 0 344.411 3.249 20 5 EGBDRO Cc1ccc([C@H](O)C[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000819213817 1319671137 /nfs/dbraw/zinc/67/11/37/1319671137.db2.gz VKEDFAZYXMGEPY-QGZVFWFLSA-N 1 0 334.803 3.422 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H]2CCCc3ccc(F)cc32)cc1 ZINC000819277224 1319687291 /nfs/dbraw/zinc/68/72/91/1319687291.db2.gz DYQFXPDLRDQFIO-MSOLQXFVSA-N 1 0 330.359 3.435 20 5 EGBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNc2nc3ccccn3c2[N+](=O)[O-])C1 ZINC000917074517 1319748313 /nfs/dbraw/zinc/74/83/13/1319748313.db2.gz WHYRZXPPYOGNAO-OKILXGFUSA-N 1 0 331.420 3.022 20 5 EGBDRO C[C@@H]1CSC[C@@H]1[NH2+]Cc1c(Br)cccc1[N+](=O)[O-] ZINC000930456353 1328860499 /nfs/dbraw/zinc/86/04/99/1328860499.db2.gz SGVGMQNBGKRFIM-KCJUWKMLSA-N 1 0 331.235 3.198 20 5 EGBDRO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000821455128 1320014201 /nfs/dbraw/zinc/01/42/01/1320014201.db2.gz NPBZMDWULBXUFL-SJLPKXTDSA-N 1 0 345.443 3.174 20 5 EGBDRO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C[C@](C)(O)c1ccccc1 ZINC000822517452 1320093699 /nfs/dbraw/zinc/09/36/99/1320093699.db2.gz XSXOZBIOFKKYEU-QIBOZCLASA-N 1 0 326.396 3.448 20 5 EGBDRO C[C@@H]1C[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c2nccn21 ZINC000825017601 1320304346 /nfs/dbraw/zinc/30/43/46/1320304346.db2.gz VUEARLQCZJCLRR-CXAGYDPISA-N 1 0 341.415 3.056 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C(=O)NCCC[N@@H+](C)C(C)C)cc1Cl ZINC000836365595 1320478700 /nfs/dbraw/zinc/47/87/00/1320478700.db2.gz UHFLIXPVOMKIEK-UHFFFAOYSA-N 1 0 327.812 3.017 20 5 EGBDRO CCC1(c2ccccc2)C[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000840769599 1321144857 /nfs/dbraw/zinc/14/48/57/1321144857.db2.gz BIBWRFBSNDVXTG-GOSISDBHSA-N 1 0 326.396 3.292 20 5 EGBDRO [NH3+][C@@H]1CN(Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1c1ccccc1F ZINC000841104186 1321218649 /nfs/dbraw/zinc/21/86/49/1321218649.db2.gz OEEQALHOKSYWSH-GOEBONIOSA-N 1 0 349.793 3.314 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCc1ccc(CC[NH3+])cc1 ZINC000841141366 1321225948 /nfs/dbraw/zinc/22/59/48/1321225948.db2.gz YVLQJJXSFUDACH-UHFFFAOYSA-N 1 0 342.399 3.035 20 5 EGBDRO O=[N+]([O-])c1ccc2sc(-c3nc([C@@H]4CCC[NH2+]C4)no3)cc2c1 ZINC000842661526 1321414041 /nfs/dbraw/zinc/41/40/41/1321414041.db2.gz LMMQOGYEXOPNKK-SECBINFHSA-N 1 0 330.369 3.327 20 5 EGBDRO CC(C)(C)c1ccc(-c2nc([C@@H]3CCC[NH2+]C3)no2)cc1[N+](=O)[O-] ZINC000842664122 1321414582 /nfs/dbraw/zinc/41/45/82/1321414582.db2.gz SPZXDJBZGOGEIH-GFCCVEGCSA-N 1 0 330.388 3.409 20 5 EGBDRO CC(C)[N@@H+]1CCC[C@@H](COC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000842831362 1321438212 /nfs/dbraw/zinc/43/82/12/1321438212.db2.gz QNMCAZAVVPRJLD-MRXNPFEDSA-N 1 0 334.416 3.191 20 5 EGBDRO CC(C)[C@@H]([NH3+])c1noc(-c2csc(-c3ccc([N+](=O)[O-])cc3)n2)n1 ZINC000843150381 1321478452 /nfs/dbraw/zinc/47/84/52/1321478452.db2.gz JZXRFONSGRDMOK-GFCCVEGCSA-N 1 0 345.384 3.424 20 5 EGBDRO Cc1cc(Cl)c(C(=O)N2[C@H](C)C[N@H+](C)[C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000844642570 1321629687 /nfs/dbraw/zinc/62/96/87/1321629687.db2.gz JTZVMYHNZDQMKZ-GRYCIOLGSA-N 1 0 339.823 3.110 20 5 EGBDRO C[C@@H](C(=O)OC[C@H]1CC[N@@H+]1C(C)(C)C)c1ccc([N+](=O)[O-])cc1F ZINC000845730101 1321736708 /nfs/dbraw/zinc/73/67/08/1321736708.db2.gz GEJITUWACWJSND-DGCLKSJQSA-N 1 0 338.379 3.253 20 5 EGBDRO C[C@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])[C@H](O)c1ccc(F)cc1 ZINC000848531194 1321969987 /nfs/dbraw/zinc/96/99/87/1321969987.db2.gz OSTBPMBNDYXLFO-PBQZTSCYSA-N 1 0 330.359 3.433 20 5 EGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@]1(O)CCCc2ccccc21 ZINC000848529629 1321969991 /nfs/dbraw/zinc/96/99/91/1321969991.db2.gz ZKNMABWRHXDZSB-UYAOXDASSA-N 1 0 338.407 3.396 20 5 EGBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000848534814 1321971101 /nfs/dbraw/zinc/97/11/01/1321971101.db2.gz VKCRCBAAXCSZHT-INIZCTEOSA-N 1 0 343.339 3.159 20 5 EGBDRO COc1ccc(OC)c(NC(=[NH2+])NCc2cccc([N+](=O)[O-])c2C)c1 ZINC000849093174 1322075588 /nfs/dbraw/zinc/07/55/88/1322075588.db2.gz RZVCACNTHNWJMK-UHFFFAOYSA-N 1 0 344.371 3.057 20 5 EGBDRO Cc1ccc(NC(=[NH2+])NCCOc2ccc([N+](=O)[O-])cc2)cc1C ZINC000849100160 1322078233 /nfs/dbraw/zinc/07/82/33/1322078233.db2.gz ZPNARVIUAUJNBB-UHFFFAOYSA-N 1 0 328.372 3.227 20 5 EGBDRO C[C@@H]1CCC[C@](CNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)([NH+](C)C)C1 ZINC000920741996 1322215887 /nfs/dbraw/zinc/21/58/87/1322215887.db2.gz ACLQTIWDMAAMAO-BJFQZOSHSA-N 1 0 345.443 3.235 20 5 EGBDRO C[S@](=O)[C@@H]1CCC[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000850354883 1322232281 /nfs/dbraw/zinc/23/22/81/1322232281.db2.gz BVSSMXILIFXDGX-SMSPXONGSA-N 1 0 330.837 3.028 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H](O)c1ccc(C)cc1 ZINC000850425479 1322246743 /nfs/dbraw/zinc/24/67/43/1322246743.db2.gz MLRRFRVYSUHMOR-GUYCJALGSA-N 1 0 330.384 3.296 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H](O)c1ccccc1C ZINC000850434713 1322248736 /nfs/dbraw/zinc/24/87/36/1322248736.db2.gz WXWMSRCSUDNJBQ-CXAGYDPISA-N 1 0 330.384 3.296 20 5 EGBDRO C[C@@H](N[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850537949 1322262628 /nfs/dbraw/zinc/26/26/28/1322262628.db2.gz BKVVQDSFEXVTQR-UKRRQHHQSA-N 1 0 332.448 3.235 20 5 EGBDRO COc1ccc(C[NH2+]Cc2ccc3c(c2)C[C@H](C)O3)cc1[N+](=O)[O-] ZINC000921612048 1322363349 /nfs/dbraw/zinc/36/33/49/1322363349.db2.gz MRTVWLPAPGMGJA-LBPRGKRZSA-N 1 0 328.368 3.217 20 5 EGBDRO COc1ccc([C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)C2CC2)cn1 ZINC000860207213 1329173516 /nfs/dbraw/zinc/17/35/16/1329173516.db2.gz FSUYTXQJVCJOKC-QGZVFWFLSA-N 1 0 331.347 3.378 20 5 EGBDRO C[NH+](C)C[C@@H]1CCCN(c2cccc(Br)c2[N+](=O)[O-])C1 ZINC000856727102 1325515414 /nfs/dbraw/zinc/51/54/14/1325515414.db2.gz WQVIGOIPLGDJPI-NSHDSACASA-N 1 0 342.237 3.135 20 5 EGBDRO CC(C)(C)C(=O)NC1CC2(C1)CC([NH2+]Cc1cccc([N+](=O)[O-])c1)C2 ZINC000965876622 1328069836 /nfs/dbraw/zinc/06/98/36/1328069836.db2.gz PJDIKDJVXHIZDF-UHFFFAOYSA-N 1 0 345.443 3.158 20 5 EGBDRO Cc1ccc(NC(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)cc1[N+](=O)[O-] ZINC000929118860 1328510563 /nfs/dbraw/zinc/51/05/63/1328510563.db2.gz UXULOYRDRJCHGK-OAHLLOKOSA-N 1 0 346.431 3.099 20 5 EGBDRO CC[NH+](CC)CCC[C@@H](C)Nc1cc(F)c([N+](=O)[O-])cc1CO ZINC000865401600 1329691952 /nfs/dbraw/zinc/69/19/52/1329691952.db2.gz DIXQPKMRJCZPSR-GFCCVEGCSA-N 1 0 327.400 3.149 20 5 EGBDRO CCC(CC)[C@@H](CNc1cc(F)c([N+](=O)[O-])cc1CO)[NH+](C)C ZINC000865428307 1329696071 /nfs/dbraw/zinc/69/60/71/1329696071.db2.gz LTQRLSQCVBYZCD-MRXNPFEDSA-N 1 0 327.400 3.005 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000932273011 1329802542 /nfs/dbraw/zinc/80/25/42/1329802542.db2.gz OTRSTJPDOXNTAW-CQSZACIVSA-N 1 0 349.456 3.017 20 5 EGBDRO CCCC[NH+]1CCC(NC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000932429358 1329814149 /nfs/dbraw/zinc/81/41/49/1329814149.db2.gz LWQOSLDDIMWFFO-ROUUACIJSA-N 1 0 345.443 3.079 20 5 EGBDRO C[C@H](CCNC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000935358787 1330047349 /nfs/dbraw/zinc/04/73/49/1330047349.db2.gz BNIUJEVSUAHXKW-FHLIZLRMSA-N 1 0 345.443 3.079 20 5 EGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000866274442 1330089254 /nfs/dbraw/zinc/08/92/54/1330089254.db2.gz LIFIPQCUKAUDAK-LBPRGKRZSA-N 1 0 347.346 3.405 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000935938258 1330096833 /nfs/dbraw/zinc/09/68/33/1330096833.db2.gz HWEIKXDXXYLWEV-GXTWGEPZSA-N 1 0 349.456 3.016 20 5 EGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1nnc(C2CC2)s1 ZINC000866374182 1330103399 /nfs/dbraw/zinc/10/33/99/1330103399.db2.gz DUUPFVRVLHCKNW-SECBINFHSA-N 1 0 336.392 3.184 20 5 EGBDRO C[C@@]([NH3+])(C(=O)N[C@H]1CCCc2sccc21)c1cccc([N+](=O)[O-])c1 ZINC000867977761 1330235711 /nfs/dbraw/zinc/23/57/11/1330235711.db2.gz PHZVAWVUXQLDGN-YOEHRIQHSA-N 1 0 345.424 3.024 20 5 EGBDRO CCCC(=O)N1CCC2(CC[N@H+](Cc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC001035148524 1342960837 /nfs/dbraw/zinc/96/08/37/1342960837.db2.gz LLYVGDZOITVSFC-UHFFFAOYSA-N 1 0 345.443 3.209 20 5 EGBDRO CCCC(=O)N1CCC2(C1)CC[NH+](Cc1cccc([N+](=O)[O-])c1)CC2 ZINC001040577152 1345548712 /nfs/dbraw/zinc/54/87/12/1345548712.db2.gz QKGDDFHSWKULAP-UHFFFAOYSA-N 1 0 345.443 3.209 20 5 EGBDRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)C1CCCCC1 ZINC001086294545 1359058702 /nfs/dbraw/zinc/05/87/02/1359058702.db2.gz DMSFQMOKCBTMLH-JCNLHEQBSA-N 1 0 345.443 3.160 20 5 EGBDRO Cc1ccc(-c2noc(-c3ccn(-c4cc[nH+]cc4)n3)n2)cc1[N+](=O)[O-] ZINC001323519723 1387381299 /nfs/dbraw/zinc/38/12/99/1387381299.db2.gz ZWJCAAWEPUTMKP-UHFFFAOYSA-N 1 0 348.322 3.201 20 5 EGBDRO CS[C@@H]1CC[C@H]([N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC001324187034 1387553255 /nfs/dbraw/zinc/55/32/55/1387553255.db2.gz QKRRXLWSGCQAQU-GXTWGEPZSA-N 1 0 337.445 3.058 20 5 EGBDRO CC(C)(C)[NH+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC001324763027 1387762893 /nfs/dbraw/zinc/76/28/93/1387762893.db2.gz IFJKUERFWIUEQG-UHFFFAOYSA-N 1 0 340.811 3.196 20 5 EGBDRO C[NH+](C)CCCOc1ccc(Nc2cc(O)cc([N+](=O)[O-])c2)cc1 ZINC001201222370 1369498627 /nfs/dbraw/zinc/49/86/27/1369498627.db2.gz LVVSNJKXVXYHSO-UHFFFAOYSA-N 1 0 331.372 3.375 20 5 EGBDRO O=[N+]([O-])c1ccc(Nc2ccc(OCC[NH+]3CCCC3)cc2)cn1 ZINC001203575162 1370175783 /nfs/dbraw/zinc/17/57/83/1370175783.db2.gz ZLXLVXCVFWZRDY-UHFFFAOYSA-N 1 0 328.372 3.208 20 5 EGBDRO C/C=C(\C)C(=O)NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CCCCC1 ZINC001115473019 1370478929 /nfs/dbraw/zinc/47/89/29/1370478929.db2.gz KPZWUOGOZBYLDK-CRKCGEKBSA-N 1 0 345.443 3.470 20 5 EGBDRO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2C(=O)[C@H]1CCC=N1 ZINC001187364451 1388099566 /nfs/dbraw/zinc/09/95/66/1388099566.db2.gz GUYPMAIWTALIPL-MRXNPFEDSA-N 1 0 348.406 3.128 20 5 EGBDRO Cc1cccc(NC[C@@H]2CCC[N@@H+]2CCc2ccc([N+](=O)[O-])cc2)n1 ZINC001116346215 1370890586 /nfs/dbraw/zinc/89/05/86/1370890586.db2.gz PJBHIFMEYGVLHV-SFHVURJKSA-N 1 0 340.427 3.417 20 5 EGBDRO C[C@@H](CC(=O)OC(C)(C)C)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC001116584403 1370940979 /nfs/dbraw/zinc/94/09/79/1370940979.db2.gz KVDCHDVEOPHUCT-JTQLQIEISA-N 1 0 328.796 3.458 20 5 EGBDRO O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)c1ccn(-c2ccncc2)n1 ZINC001116781508 1370973143 /nfs/dbraw/zinc/97/31/43/1370973143.db2.gz JPSZKLQVFNJOHO-UHFFFAOYSA-N 1 0 343.730 3.081 20 5 EGBDRO C[C@H]1CCCN(C(=O)CC[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC001116821997 1370980962 /nfs/dbraw/zinc/98/09/62/1370980962.db2.gz SDALLBKIJBNCSO-KBXCAEBGSA-N 1 0 345.443 3.210 20 5 EGBDRO Cn1cc(-c2ccc(C[NH2+]CCc3ccc([N+](=O)[O-])cc3)cc2)cn1 ZINC001116863046 1370989778 /nfs/dbraw/zinc/98/97/78/1370989778.db2.gz NWJOTNOIKVAOGX-UHFFFAOYSA-N 1 0 336.395 3.328 20 5 EGBDRO C[C@@H]([NH2+]CCCOCc1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC001117711657 1371067169 /nfs/dbraw/zinc/06/71/69/1371067169.db2.gz HUMJVANGIBCJQF-CQSZACIVSA-N 1 0 329.400 3.435 20 5 EGBDRO CCC[NH+]1CCC(Nc2ncnc3c(Cl)cc([N+](=O)[O-])cc23)CC1 ZINC001118517224 1371192121 /nfs/dbraw/zinc/19/21/21/1371192121.db2.gz WJLWGXDDSVADOT-UHFFFAOYSA-N 1 0 349.822 3.478 20 5 EGBDRO O=[N+]([O-])c1ccc2c(cnn2C[N@@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)c1 ZINC001118594876 1371203963 /nfs/dbraw/zinc/20/39/63/1371203963.db2.gz DUYDEWHLWLNPAQ-KSSFIOAISA-N 1 0 344.415 3.183 20 5 EGBDRO Cc1cncc([N+](=O)[O-])c1N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001326420457 1388183431 /nfs/dbraw/zinc/18/34/31/1388183431.db2.gz HVPITQZWNTYPIG-RDJZCZTQSA-N 1 0 340.427 3.185 20 5 EGBDRO CC[N@@H+]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])c3ccccc23)CC1 ZINC001123353718 1372439611 /nfs/dbraw/zinc/43/96/11/1372439611.db2.gz FVOZBRIFZZIWOT-UHFFFAOYSA-N 1 0 342.399 3.308 20 5 EGBDRO Cc1ccc(Nc2ccc(CN3CC[NH+](C)CC3)cc2)c([N+](=O)[O-])c1 ZINC001214172067 1373018779 /nfs/dbraw/zinc/01/87/79/1373018779.db2.gz RILBEWQGKXLIQM-UHFFFAOYSA-N 1 0 340.427 3.394 20 5 EGBDRO c1ccc2c(c1)nc1ccccc1c2CO[C@H]1C[NH2+][C@@H]2CCCO[C@@H]21 ZINC001217818347 1373504826 /nfs/dbraw/zinc/50/48/26/1373504826.db2.gz BKRBTQQHQATSCM-HKBOAZHASA-N 1 0 334.419 3.424 20 5 EGBDRO C[C@H](Oc1cc(Br)ccc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC001218002189 1373531402 /nfs/dbraw/zinc/53/14/02/1373531402.db2.gz BZJOIAHQFHGXFI-VIFPVBQESA-N 1 0 329.194 3.124 20 5 EGBDRO C[C@@H](Oc1c(F)cc([N+](=O)[O-])cc1Br)C1CC[NH2+]CC1 ZINC001218007773 1373534465 /nfs/dbraw/zinc/53/44/65/1373534465.db2.gz ZJTILSQNGHCAKN-MRVPVSSYSA-N 1 0 347.184 3.263 20 5 EGBDRO C[C@H]1CC[NH2+]CC[C@H]1Oc1c(Br)cc(F)cc1[N+](=O)[O-] ZINC001218031909 1373543351 /nfs/dbraw/zinc/54/33/51/1373543351.db2.gz VAGXOXJBZUEKHV-QPUJVOFHSA-N 1 0 347.184 3.263 20 5 EGBDRO Cc1cc(O[C@@H]2CC[NH2+][C@@H](C)C2)c([N+](=O)[O-])cc1Br ZINC001218054998 1373548737 /nfs/dbraw/zinc/54/87/37/1373548737.db2.gz GTBKLCIMJHOKRB-VHSXEESVSA-N 1 0 329.194 3.185 20 5 EGBDRO Cc1cc(Br)c(O[C@H]2CC[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC001218061639 1373550374 /nfs/dbraw/zinc/55/03/74/1373550374.db2.gz QDDATSFYGPSHQW-UWVGGRQHSA-N 1 0 329.194 3.185 20 5 EGBDRO C[C@H]1C[C@@H](Oc2c([N+](=O)[O-])cc(C(C)(C)C)cc2[N+](=O)[O-])CC[NH2+]1 ZINC001218062402 1373550410 /nfs/dbraw/zinc/55/04/10/1373550410.db2.gz SYXQWJRTWZJYNM-JQWIXIFHSA-N 1 0 337.376 3.320 20 5 EGBDRO O=[N+]([O-])c1c(Br)cccc1O[C@H]1CCC[C@]12CC[NH2+]C2 ZINC001218089916 1373557447 /nfs/dbraw/zinc/55/74/47/1373557447.db2.gz HEMFGWQTFIOYNK-GXTWGEPZSA-N 1 0 341.205 3.268 20 5 EGBDRO O=[N+]([O-])c1cccc(O[C@@H]2CCC[C@]23CC[NH2+]C3)c1Br ZINC001218090699 1373558323 /nfs/dbraw/zinc/55/83/23/1373558323.db2.gz CGIPIWSHNFEVFX-TZMCWYRMSA-N 1 0 341.205 3.268 20 5 EGBDRO C[NH2+][C@H]1CC[C@H](Oc2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC001218187822 1373574610 /nfs/dbraw/zinc/57/46/10/1373574610.db2.gz QZZDIOHVADNUNF-XYPYZODXSA-N 1 0 329.194 3.267 20 5 EGBDRO [NH3+]Cc1cccc(OC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC001218191795 1373575714 /nfs/dbraw/zinc/57/57/14/1373575714.db2.gz HWVUOUZHGHKLGR-UHFFFAOYSA-N 1 0 327.384 3.101 20 5 EGBDRO C[C@@H]([NH3+])c1ccc(O[C@@H](C)c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC001218215431 1373579644 /nfs/dbraw/zinc/57/96/44/1373579644.db2.gz SGMJNCXOWLVLBK-MNOVXSKESA-N 1 0 330.340 3.483 20 5 EGBDRO Cc1cc(O[C@@H]2C[C@H]3CC[NH2+][C@@H]3C2)c([N+](=O)[O-])cc1Br ZINC001218247770 1373583191 /nfs/dbraw/zinc/58/31/91/1373583191.db2.gz DYEXCPMENWYKPW-CKYFFXLPSA-N 1 0 341.205 3.185 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1ccc(OC[C@@H]2C[NH2+]CCCO2)cc1 ZINC001218301248 1373590995 /nfs/dbraw/zinc/59/09/95/1373590995.db2.gz AUDMBUSSFBEOKQ-INIZCTEOSA-N 1 0 328.368 3.019 20 5 EGBDRO Cc1cc(O[C@@H]2CC[NH2+]CC2(C)C)c([N+](=O)[O-])cc1Br ZINC001218311993 1373592918 /nfs/dbraw/zinc/59/29/18/1373592918.db2.gz SGUGEBZWUHDXKK-CYBMUJFWSA-N 1 0 343.221 3.433 20 5 EGBDRO CC1(C)C[NH2+]CC[C@@H]1Oc1cc([N+](=O)[O-])ccc1Br ZINC001218312887 1373593671 /nfs/dbraw/zinc/59/36/71/1373593671.db2.gz FDLMNXZQGUZHRT-LBPRGKRZSA-N 1 0 329.194 3.124 20 5 EGBDRO O=[N+]([O-])c1cc(OC(F)(F)F)ccc1O[C@H]1C[NH2+]CCC12CC2 ZINC001218405863 1373608721 /nfs/dbraw/zinc/60/87/21/1373608721.db2.gz RNGYLRWNCVLLGU-LBPRGKRZSA-N 1 0 332.278 3.014 20 5 EGBDRO O=c1c2ccccc2oc2cc(O[C@@H]3C[NH2+]CCC3(F)F)ccc12 ZINC001218449612 1373615224 /nfs/dbraw/zinc/61/52/24/1373615224.db2.gz USJBIMZMNMEURR-MRXNPFEDSA-N 1 0 331.318 3.322 20 5 EGBDRO CC1(C)C[C@H](Oc2cc([N+](=O)[O-])ccc2Br)CC[NH2+]1 ZINC001218475151 1373621485 /nfs/dbraw/zinc/62/14/85/1373621485.db2.gz LGEZIFFPVZTIID-SNVBAGLBSA-N 1 0 329.194 3.267 20 5 EGBDRO O=C(NCCO[C@@H]1CC[NH2+]C1)c1c2ccccc2cc2ccccc21 ZINC001220939290 1373767192 /nfs/dbraw/zinc/76/71/92/1373767192.db2.gz KJLGXKHVWGFLNU-QGZVFWFLSA-N 1 0 334.419 3.101 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCC(OCCC[NH+]3CCCC3)CC2)cc1 ZINC001224745181 1375073073 /nfs/dbraw/zinc/07/30/73/1375073073.db2.gz YAVRQSKNNSDKTR-UHFFFAOYSA-N 1 0 333.432 3.066 20 5 EGBDRO O=[N+]([O-])c1cccnc1O[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC001225598662 1375130534 /nfs/dbraw/zinc/13/05/34/1375130534.db2.gz XRHRFXDDVJFTOU-SOLBZPMBSA-N 1 0 339.395 3.279 20 5 EGBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Oc1cccnc1[N+](=O)[O-] ZINC001225629763 1375135072 /nfs/dbraw/zinc/13/50/72/1375135072.db2.gz RKFXNVRCKTWXBI-GOEBONIOSA-N 1 0 327.384 3.279 20 5 EGBDRO O=[N+]([O-])c1ccc(Cl)cc1O[C@H]1CC[C@H]([NH+]2CCOCC2)CC1 ZINC001225714046 1375148741 /nfs/dbraw/zinc/14/87/41/1375148741.db2.gz YOHOELNUEDMRLG-HDJSIYSDSA-N 1 0 340.807 3.270 20 5 EGBDRO C[NH+](C)[C@H]1CC[C@H](Oc2ncc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC001225845394 1375163287 /nfs/dbraw/zinc/16/32/87/1375163287.db2.gz GLGCPWHHPGYRAF-XYPYZODXSA-N 1 0 333.310 3.260 20 5 EGBDRO CC(C)[N@@H+]1CCC[C@@H](Oc2ncc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001225847728 1375164010 /nfs/dbraw/zinc/16/40/10/1375164010.db2.gz SSQUMYMOHGGLOP-LLVKDONJSA-N 1 0 333.310 3.260 20 5 EGBDRO CC[NH+](CC)C[C@H](C)Oc1cc([N+](=O)[O-])ccc1Br ZINC001226581817 1375285260 /nfs/dbraw/zinc/28/52/60/1375285260.db2.gz CNAFMXXILFWFHF-JTQLQIEISA-N 1 0 331.210 3.466 20 5 EGBDRO O=[N+]([O-])c1ccc(Br)c(OC2CC[NH+](C3CC3)CC2)c1 ZINC001226583438 1375286050 /nfs/dbraw/zinc/28/60/50/1375286050.db2.gz XCKJLUZJLGDHTF-UHFFFAOYSA-N 1 0 341.205 3.363 20 5 EGBDRO Cc1cc([N+](=O)[O-])cnc1O[C@H]1CCC[N@@H+]([C@@H](C)c2ccccn2)C1 ZINC001226763770 1375327474 /nfs/dbraw/zinc/32/74/74/1375327474.db2.gz BOSQYCOGBHYPSL-HOCLYGCPSA-N 1 0 342.399 3.298 20 5 EGBDRO CCOC(=O)c1ccc(O[C@H]2CCC[N@@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC001227296862 1375417514 /nfs/dbraw/zinc/41/75/14/1375417514.db2.gz GZCVFOWTYHESAX-AWEZNQCLSA-N 1 0 336.388 3.023 20 5 EGBDRO C[NH+]1CCC2(CC[C@H](COc3c(Cl)cccc3[N+](=O)[O-])O2)CC1 ZINC001228002048 1375501064 /nfs/dbraw/zinc/50/10/64/1375501064.db2.gz HANMYIIFCISOEG-GFCCVEGCSA-N 1 0 340.807 3.270 20 5 EGBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc(-c2ccc(Cl)cc2)cc1 ZINC001228442323 1375572518 /nfs/dbraw/zinc/57/25/18/1375572518.db2.gz WYMPXZMHZZVCKT-QGZVFWFLSA-N 1 0 348.850 3.370 20 5 EGBDRO C[C@@H](C[N+](C)(C)C)Oc1cccc2c1C(=O)c1c(O)cccc1C2 ZINC001228485263 1375578163 /nfs/dbraw/zinc/57/81/63/1375578163.db2.gz SGLOOKGFKYASKL-ZDUSSCGKSA-O 1 0 326.416 3.001 20 5 EGBDRO C=C/C(C)=C/CC(=O)NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001228702055 1375644798 /nfs/dbraw/zinc/64/47/98/1375644798.db2.gz JDEAVQSLMPCMOP-SYZQJQIISA-N 1 0 343.427 3.198 20 5 EGBDRO Cc1cc(O)c(OC2CCN(c3cc[nH+]cc3)CC2)cc1[N+](=O)[O-] ZINC001229751219 1375886339 /nfs/dbraw/zinc/88/63/39/1375886339.db2.gz STTSIKXQGVWDEY-UHFFFAOYSA-N 1 0 329.356 3.052 20 5 EGBDRO Cc1cccc(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])c1Cl ZINC001135532508 1377132379 /nfs/dbraw/zinc/13/23/79/1377132379.db2.gz VDXCPYKYKPZEFP-UHFFFAOYSA-N 1 0 347.802 3.076 20 5 EGBDRO CC(=O)C(=O)Nc1cc2oc3cc(=[NH2+])ccc-3nc2c2ccccc12 ZINC001142699629 1378480028 /nfs/dbraw/zinc/48/00/28/1378480028.db2.gz JJVUXTBMUQFCTC-UHFFFAOYSA-N 1 0 331.331 3.093 20 5 EGBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1Nc1ncnc2c(Cl)cc([N+](=O)[O-])cc12 ZINC001327658447 1388574099 /nfs/dbraw/zinc/57/40/99/1388574099.db2.gz IUHIELGSCXDNCL-OTYXRUKQSA-N 1 0 347.806 3.086 20 5 EGBDRO CC(C)(C)CC(C)(C)C(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001151938406 1379819052 /nfs/dbraw/zinc/81/90/52/1379819052.db2.gz KDVJTVPZASFEDI-UHFFFAOYSA-N 1 0 341.477 3.325 20 5 EGBDRO CC[NH+]1CCC(N(C)C(=O)c2cccc3nc4ccccc4nc32)CC1 ZINC001153867042 1380146951 /nfs/dbraw/zinc/14/69/51/1380146951.db2.gz XCBUKDXWPGBEED-UHFFFAOYSA-N 1 0 348.450 3.339 20 5 EGBDRO O=C(CCC1CCCC1)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001154273364 1380244206 /nfs/dbraw/zinc/24/42/06/1380244206.db2.gz HKUGUVRFHVBEQC-UHFFFAOYSA-N 1 0 339.461 3.223 20 5 EGBDRO C[C@@H]1C[C@@H](CNc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)C[NH2+]1 ZINC001155101785 1380409030 /nfs/dbraw/zinc/40/90/30/1380409030.db2.gz JJLDVVYWROTHHS-VXGBXAGGSA-N 1 0 330.363 3.206 20 5 EGBDRO C[C@@H](Nc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1)c1ccc2ccccc2c1 ZINC001156134979 1380530153 /nfs/dbraw/zinc/53/01/53/1380530153.db2.gz PTNPHDYYXZYMTH-GFCCVEGCSA-N 1 0 349.394 3.398 20 5 EGBDRO C[NH+](C)C[C@@]12C[C@@H]1CN(c1cc(Cl)nc3ccc([N+](=O)[O-])cc31)C2 ZINC001156394465 1380570843 /nfs/dbraw/zinc/57/08/43/1380570843.db2.gz FFMIBQDEXRIVRX-PIGZYNQJSA-N 1 0 346.818 3.184 20 5 EGBDRO CC(C)[NH+]1CCC(CNc2nc(Cl)nc(Cl)c2[N+](=O)[O-])CC1 ZINC001156496128 1380583871 /nfs/dbraw/zinc/58/38/71/1380583871.db2.gz UPEYKCSPSHNLOJ-UHFFFAOYSA-N 1 0 348.234 3.224 20 5 EGBDRO CN(c1cc(Cl)nc2ccc([N+](=O)[O-])cc21)[C@]1(C)CCC[NH2+]C1 ZINC001156976170 1380741386 /nfs/dbraw/zinc/74/13/86/1380741386.db2.gz CMBILNWDJQHZOC-MRXNPFEDSA-N 1 0 334.807 3.375 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(N2CC[NH2+][C@H](c3ccccc3)C2)nc1Cl ZINC001157759367 1381024160 /nfs/dbraw/zinc/02/41/60/1381024160.db2.gz OKKOCQYBVSKNPK-ZDUSSCGKSA-N 1 0 332.791 3.103 20 5 EGBDRO [NH3+]CCN(c1cccnc1)c1ccc2c(ccc(Cl)c2[N+](=O)[O-])n1 ZINC001158001060 1381098359 /nfs/dbraw/zinc/09/83/59/1381098359.db2.gz OJNWEXYVDKHFFW-UHFFFAOYSA-N 1 0 343.774 3.288 20 5 EGBDRO Cc1nc(Cl)nc(N[C@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)c1[N+](=O)[O-] ZINC001158265385 1381178206 /nfs/dbraw/zinc/17/82/06/1381178206.db2.gz GSGVPUZNGVLENZ-ZUZCIYMTSA-N 1 0 341.843 3.302 20 5 EGBDRO CC1(C)C[C@H](Nc2ccc3[nH]cc([N+](=O)[O-])c3n2)C[C@@](C)(C[NH3+])C1 ZINC001158267318 1381178620 /nfs/dbraw/zinc/17/86/20/1381178620.db2.gz WNLWBCWWIHVDPZ-APPDUMDISA-N 1 0 331.420 3.427 20 5 EGBDRO C[N@@H+]1CCN(c2ccc3c(cccc3[N+](=O)[O-])n2)C2(CCCC2)C1 ZINC001158408210 1381233839 /nfs/dbraw/zinc/23/38/39/1381233839.db2.gz CLAZBBXXZYFPRM-UHFFFAOYSA-N 1 0 326.400 3.208 20 5 EGBDRO O=[N+]([O-])c1c(Cl)cc(Cl)nc1NCC12CC[NH+](CC1)CC2 ZINC001158827941 1381421153 /nfs/dbraw/zinc/42/11/53/1381421153.db2.gz YXYBFYWHLNSJMJ-UHFFFAOYSA-N 1 0 331.203 3.194 20 5 EGBDRO Cc1ccc(Nc2ccc(N3CC[NH2+]CC3)c(F)c2)cc1[N+](=O)[O-] ZINC001159537614 1381820513 /nfs/dbraw/zinc/82/05/13/1381820513.db2.gz JOADAIWJMILLFU-UHFFFAOYSA-N 1 0 330.363 3.196 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1Nc1ccc(N2CC[NH2+]CC2)c(F)c1 ZINC001159537416 1381820792 /nfs/dbraw/zinc/82/07/92/1381820792.db2.gz BJZHAZSVNKXOQN-UHFFFAOYSA-N 1 0 330.363 3.196 20 5 EGBDRO C[C@H]([NH3+])c1ncc(-c2ccccc2)n1-c1ncc([N+](=O)[O-])cc1F ZINC001159592355 1381838251 /nfs/dbraw/zinc/83/82/51/1381838251.db2.gz QZOAEYCVYNKBLW-JTQLQIEISA-N 1 0 327.319 3.001 20 5 EGBDRO Cc1nc(N[C@@H](Cc2ccccc2)C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC001159651547 1381860063 /nfs/dbraw/zinc/86/00/63/1381860063.db2.gz CQORDOMLKJJVQR-KRWDZBQOSA-N 1 0 340.427 3.417 20 5 EGBDRO [NH3+][C@@H]1CCc2c3ccccc3n(-c3ncc(Cl)cc3[N+](=O)[O-])c2C1 ZINC001159948209 1381946253 /nfs/dbraw/zinc/94/62/53/1381946253.db2.gz SPMXIWKMTNSZGF-LLVKDONJSA-N 1 0 342.786 3.403 20 5 EGBDRO [NH3+][C@H]1CCCN(c2ccccc2Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC001159977219 1381955970 /nfs/dbraw/zinc/95/59/70/1381955970.db2.gz AKHLDLDVDWZWNF-LBPRGKRZSA-N 1 0 330.363 3.405 20 5 EGBDRO COc1ccc(Nc2c(F)cccc2O[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001160134465 1382010118 /nfs/dbraw/zinc/01/01/18/1382010118.db2.gz CKJRKEJRRJREBM-GFCCVEGCSA-N 1 0 347.346 3.227 20 5 EGBDRO O=[N+]([O-])c1ccc(Nc2c(F)cccc2OCC2CC[NH2+]CC2)cn1 ZINC001160156143 1382019104 /nfs/dbraw/zinc/01/91/04/1382019104.db2.gz GNRDRIJCDWTKAG-UHFFFAOYSA-N 1 0 346.362 3.251 20 5 EGBDRO O=[N+]([O-])c1ccc(Nc2cccc(F)c2OCC2CC[NH2+]CC2)cn1 ZINC001160195706 1382030265 /nfs/dbraw/zinc/03/02/65/1382030265.db2.gz VIRMVAKWFNLVKL-UHFFFAOYSA-N 1 0 346.362 3.251 20 5 EGBDRO C[C@H](C[NH3+])CN(Cc1ccccc1)c1ncc(Cl)cc1[N+](=O)[O-] ZINC001160660009 1382162964 /nfs/dbraw/zinc/16/29/64/1382162964.db2.gz DRBUCCGESLDFEE-GFCCVEGCSA-N 1 0 334.807 3.245 20 5 EGBDRO C[C@H](C[NH3+])CN(Cc1ccccc1)c1cc([N+](=O)[O-])c2cc[nH]c2n1 ZINC001160666510 1382165333 /nfs/dbraw/zinc/16/53/33/1382165333.db2.gz YVKNIMYXULPOGH-CYBMUJFWSA-N 1 0 339.399 3.073 20 5 EGBDRO O=[N+]([O-])c1cc2ccccc2nc1N[C@@H]1CC[NH2+]C[C@H]1C(F)(F)F ZINC001160741129 1382183868 /nfs/dbraw/zinc/18/38/68/1382183868.db2.gz QISLDHSACSHEQR-ZYHUDNBSSA-N 1 0 340.305 3.095 20 5 EGBDRO [NH3+]CCc1cccc(Nc2cc([N+](=O)[O-])cc3c(Cl)ncnc23)c1 ZINC001161081804 1382293538 /nfs/dbraw/zinc/29/35/38/1382293538.db2.gz IPQZWHLLFRVRFF-UHFFFAOYSA-N 1 0 343.774 3.436 20 5 EGBDRO [NH3+][C@@H]1CCC[C@H](Nc2c(Br)cc(F)cc2[N+](=O)[O-])C1 ZINC001162397046 1382747459 /nfs/dbraw/zinc/74/74/59/1382747459.db2.gz QBKFYYCXOXOADT-BDAKNGLRSA-N 1 0 332.173 3.178 20 5 EGBDRO CCOc1cc(NCc2ccc3c(c2)CC[NH2+]C3)ccc1[N+](=O)[O-] ZINC001162815004 1382882611 /nfs/dbraw/zinc/88/26/11/1382882611.db2.gz GUHKWIGVZQTFEY-UHFFFAOYSA-N 1 0 327.384 3.251 20 5 EGBDRO COC(=O)c1cc([N+](=O)[O-])cc(-n2ccc3cc([C@@H](C)[NH3+])ccc32)c1 ZINC001162908944 1382912511 /nfs/dbraw/zinc/91/25/11/1382912511.db2.gz SWEBKIQAQAKMDZ-LLVKDONJSA-N 1 0 339.351 3.345 20 5 EGBDRO O=[N+]([O-])c1ccc(Cl)c(NC[C@H]2CCC3(CC[NH2+]CC3)CO2)c1 ZINC001162964977 1382929785 /nfs/dbraw/zinc/92/97/85/1382929785.db2.gz DMBCOMXHUTWEPK-CYBMUJFWSA-N 1 0 339.823 3.209 20 5 EGBDRO Cc1cc(NC2CC3(C2)CCC[NH2+]C3)nc2ccc([N+](=O)[O-])cc12 ZINC001162981671 1382936682 /nfs/dbraw/zinc/93/66/82/1382936682.db2.gz MAGYHXVEHMJVSQ-UHFFFAOYSA-N 1 0 326.400 3.396 20 5 EGBDRO CC(C)(C)c1ccc(NCC[C@H]2CCOC23C[NH2+]C3)c([N+](=O)[O-])c1 ZINC001163095738 1382963865 /nfs/dbraw/zinc/96/38/65/1382963865.db2.gz WUUQPCNLQMFUBM-ZDUSSCGKSA-N 1 0 333.432 3.073 20 5 EGBDRO c1ccc2c(c1)nc(NC[C@@H]1OC[C@H]3C[NH2+]CC[C@H]31)c1ccccc21 ZINC001163177151 1382984818 /nfs/dbraw/zinc/98/48/18/1382984818.db2.gz BSHXUVNHTNWZEI-SXGZJXTBSA-N 1 0 333.435 3.424 20 5 EGBDRO [NH3+]C[C@@H](Nc1cc2ncnc(Cl)c2cc1[N+](=O)[O-])c1ccccc1 ZINC001163294763 1383014422 /nfs/dbraw/zinc/01/44/22/1383014422.db2.gz ZUZWVNKVELCEJQ-CQSZACIVSA-N 1 0 343.774 3.303 20 5 EGBDRO CC(C)CCC(=O)NCCC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001163324609 1383022261 /nfs/dbraw/zinc/02/22/61/1383022261.db2.gz MNPQZHYOAITFNS-UHFFFAOYSA-N 1 0 347.459 3.407 20 5 EGBDRO c1cnc2c(c1)cc(N[C@H]1CCO[C@]3(CC[NH2+]C3)C1)c1cccnc12 ZINC001163328943 1383023853 /nfs/dbraw/zinc/02/38/53/1383023853.db2.gz UIMRCXSGQVNQPG-MGPUTAFESA-N 1 0 334.423 3.106 20 5 EGBDRO CC(C)[N@@H+]1CC[C@@H](Nc2cnc3cc([N+](=O)[O-])ccc3n2)[C@H](C)C1 ZINC001163360513 1383030246 /nfs/dbraw/zinc/03/02/46/1383030246.db2.gz DORDKPXSOUYAPV-TZMCWYRMSA-N 1 0 329.404 3.069 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCC(C[NH3+])(c3ccccc3)CC2)n1 ZINC001164439624 1383187034 /nfs/dbraw/zinc/18/70/34/1383187034.db2.gz SXYZVPBWJNWRCO-UHFFFAOYSA-N 1 0 340.427 3.104 20 5 EGBDRO CC(C)(C)[NH+]1CCN(c2nc(Cl)c(Cl)cc2[N+](=O)[O-])CC1 ZINC001165088318 1383226313 /nfs/dbraw/zinc/22/63/13/1383226313.db2.gz LOVGHJNFNZCIAJ-UHFFFAOYSA-N 1 0 333.219 3.217 20 5 EGBDRO COc1cc(NCC2C[NH+](Cc3ccccc3)C2)cc([N+](=O)[O-])c1C ZINC001165455185 1383298280 /nfs/dbraw/zinc/29/82/80/1383298280.db2.gz VHYIEDPEWQWNKM-UHFFFAOYSA-N 1 0 341.411 3.456 20 5 EGBDRO COc1cc(NC[C@@H](c2ccccc2)[NH+]2CCCC2)cnc1[N+](=O)[O-] ZINC001166900549 1383496198 /nfs/dbraw/zinc/49/61/98/1383496198.db2.gz KTKNSSBISCNQIX-INIZCTEOSA-N 1 0 342.399 3.247 20 5 EGBDRO [NH2+]=C(Cc1cccc(C(F)(F)F)c1)N[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168984936 1384079220 /nfs/dbraw/zinc/07/92/20/1384079220.db2.gz BKVGGDUJYHCQJL-YPMHNXCESA-N 1 0 329.322 3.260 20 5 EGBDRO Cc1c(F)cccc1CN1CCC([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168992774 1384080694 /nfs/dbraw/zinc/08/06/94/1384080694.db2.gz KOAUDPPOFGMGMX-QAPCUYQASA-N 1 0 349.450 3.134 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C2(c3ccc(Cl)cc3)CCOCC2)C1 ZINC001168998260 1384082787 /nfs/dbraw/zinc/08/27/87/1384082787.db2.gz KOICPZVCCQOVIO-CJNGLKHVSA-N 1 0 338.835 3.381 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2csc(-c3ccc(F)cc3)n2)C1 ZINC001169001228 1384084142 /nfs/dbraw/zinc/08/41/42/1384084142.db2.gz DSDNBUVTQZAMTD-RISCZKNCSA-N 1 0 335.404 3.484 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CCc2ccc(Oc3ccccc3)nc2)C1 ZINC001169006472 1384085837 /nfs/dbraw/zinc/08/58/37/1384085837.db2.gz XWGYNJOHZZWWLI-SJORKVTESA-N 1 0 341.411 3.451 20 5 EGBDRO COc1ccc([C@@H]2CCC[N@@H+]2[C@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1OC ZINC001169030310 1384094847 /nfs/dbraw/zinc/09/48/47/1384094847.db2.gz YKPWXZZGAJIVHU-KBMXLJTQSA-N 1 0 334.416 3.286 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2Cc3cccc(Br)c3C2)C1 ZINC001169036312 1384096400 /nfs/dbraw/zinc/09/64/00/1384096400.db2.gz NIAGSOPIUZQYLU-PWSUYJOCSA-N 1 0 325.206 3.210 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCN([C@H]3CCCc4ccccc43)CC2)C1 ZINC001169039979 1384098400 /nfs/dbraw/zinc/09/84/00/1384098400.db2.gz WNQLSJNJFDXYEQ-KPFFTGBYSA-N 1 0 343.471 3.127 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+][C@H]2COc3ccccc3C2)c([N+](=O)[O-])c1 ZINC001170299104 1384285080 /nfs/dbraw/zinc/28/50/80/1384285080.db2.gz PUCMFZIMQQLSCS-XJKSGUPXSA-N 1 0 342.395 3.128 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+]C(C)(C)c2cccnc2)c([N+](=O)[O-])c1 ZINC001170299264 1384285161 /nfs/dbraw/zinc/28/51/61/1384285161.db2.gz UGPJGXBQXLVOIS-ZDUSSCGKSA-N 1 0 329.400 3.454 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+]CCOc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC001170297164 1384285321 /nfs/dbraw/zinc/28/53/21/1384285321.db2.gz LGPOUJSUXUKWFU-CYBMUJFWSA-N 1 0 348.374 3.342 20 5 EGBDRO COc1ccc(C[C@H](C)N(C(N)=[NH2+])c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC001170306770 1384287335 /nfs/dbraw/zinc/28/73/35/1384287335.db2.gz BRFCIFKYWDHDRG-NSHDSACASA-N 1 0 346.362 3.074 20 5 EGBDRO COc1ccc(C[C@@H](C)n2ccc3cc(C[NH3+])cnc32)c([N+](=O)[O-])c1 ZINC001170309980 1384287768 /nfs/dbraw/zinc/28/77/68/1384287768.db2.gz UZYXLNZMYZFEKU-GFCCVEGCSA-N 1 0 340.383 3.216 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+]CCCCCCCCO)c([N+](=O)[O-])c1 ZINC001170317275 1384289385 /nfs/dbraw/zinc/28/93/85/1384289385.db2.gz DOCWDJRBORYCCB-OAHLLOKOSA-N 1 0 338.448 3.457 20 5 EGBDRO COCc1cccc(C[NH2+][C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])c1 ZINC001170319258 1384289696 /nfs/dbraw/zinc/28/96/96/1384289696.db2.gz WGTGHBBLYIHYMB-AWEZNQCLSA-N 1 0 344.411 3.471 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+][C@H](C)Cc2cccc(O)c2)c([N+](=O)[O-])c1 ZINC001170317457 1384289716 /nfs/dbraw/zinc/28/97/16/1384289716.db2.gz IUWMLMWGHXCHDN-ZIAGYGMSSA-N 1 0 344.411 3.461 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2cncn2C2CCC2)c([N+](=O)[O-])c1 ZINC001170323410 1384290626 /nfs/dbraw/zinc/29/06/26/1384290626.db2.gz JNQAVHRKMDYLFI-CYBMUJFWSA-N 1 0 344.415 3.246 20 5 EGBDRO COc1ccc(C[C@@H](C)[N@@H+]2CC[C@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC001170347107 1384296543 /nfs/dbraw/zinc/29/65/43/1384296543.db2.gz QFLJNVLOZLOIGJ-PWSUYJOCSA-N 1 0 332.322 3.419 20 5 EGBDRO COc1ccc(C[C@@H](C)N2CCC([N@H+](C)C3CC3)CC2)c([N+](=O)[O-])c1 ZINC001170351795 1384298256 /nfs/dbraw/zinc/29/82/56/1384298256.db2.gz JDYAJIFIUZHYBC-CQSZACIVSA-N 1 0 347.459 3.093 20 5 EGBDRO COc1ccc(C[C@H](C)[N@@H+]2CC[C@H](COCC3CC3)C2)c([N+](=O)[O-])c1 ZINC001170352421 1384298514 /nfs/dbraw/zinc/29/85/14/1384298514.db2.gz NFWJLUUVOARYDD-HOCLYGCPSA-N 1 0 348.443 3.283 20 5 EGBDRO CC[N@H+](Cc1ccccn1)[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170353096 1384299238 /nfs/dbraw/zinc/29/92/38/1384299238.db2.gz VSMCSYLEPWJYTD-CQSZACIVSA-N 1 0 329.400 3.452 20 5 EGBDRO [NH3+]Cc1ccc2cn(-c3cc(C(F)(F)F)ccc3[N+](=O)[O-])nc2c1 ZINC001171324909 1384494975 /nfs/dbraw/zinc/49/49/75/1384494975.db2.gz OCTANHHDBLJWEN-UHFFFAOYSA-N 1 0 336.273 3.411 20 5 EGBDRO CC(C)(C)c1cnc(N2c3ccccc3OC[C@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC001171389103 1384510238 /nfs/dbraw/zinc/51/02/38/1384510238.db2.gz HGNAVAMFGGPTPS-CYBMUJFWSA-N 1 0 342.399 3.145 20 5 EGBDRO [NH3+]C[C@@H]1COc2ccccc2N1c1ccc2cc([N+](=O)[O-])ccc2n1 ZINC001171389505 1384510580 /nfs/dbraw/zinc/51/05/80/1384510580.db2.gz MHPNRGPTMGUNMD-CQSZACIVSA-N 1 0 336.351 3.001 20 5 EGBDRO C[C@H]1CC[C@H](C(=O)NCCC[NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC001171661743 1384594705 /nfs/dbraw/zinc/59/47/05/1384594705.db2.gz SDWUMTKSPSUACB-MQMHXKEQSA-N 1 0 339.461 3.079 20 5 EGBDRO Cc1cc(C)cc(C(=O)NCCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001171950989 1384694398 /nfs/dbraw/zinc/69/43/98/1384694398.db2.gz QIZDGHSCDRZFSM-UHFFFAOYSA-N 1 0 341.411 3.121 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@H](CO)c1ccccc1)CC2 ZINC001172895707 1384874014 /nfs/dbraw/zinc/87/40/14/1384874014.db2.gz HTORIZHXJIMYIJ-PKOBYXMFSA-N 1 0 326.396 3.165 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]Cc1cn(CC3CC3)cn1)CC2 ZINC001172902582 1384874919 /nfs/dbraw/zinc/87/49/19/1384874919.db2.gz AFWATJHUKCHXLF-KRWDZBQOSA-N 1 0 340.427 3.239 20 5 EGBDRO CCOC(CC[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1)OCC ZINC001172902532 1384875190 /nfs/dbraw/zinc/87/51/90/1384875190.db2.gz ZLYIXHBFDVMWNN-INIZCTEOSA-N 1 0 336.432 3.221 20 5 EGBDRO CC(C)N1CC[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C[C@@H]1C ZINC001172913886 1384876510 /nfs/dbraw/zinc/87/65/10/1384876510.db2.gz VJVLYAVFGYYMKR-MAUKXSAKSA-N 1 0 331.460 3.257 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]C[C@@H](O)c1ccccc1F)CC2 ZINC001172913122 1384876666 /nfs/dbraw/zinc/87/66/66/1384876666.db2.gz TZLOWCARQPJOHC-DNVCBOLYSA-N 1 0 344.386 3.305 20 5 EGBDRO CC(C)(C)C(=[NH2+])NC1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173005922 1384897407 /nfs/dbraw/zinc/89/74/07/1384897407.db2.gz LOZPDNGUMVAXDK-UHFFFAOYSA-N 1 0 340.374 3.455 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]Cc2cccc(C)n2)c1F ZINC001173174798 1384930923 /nfs/dbraw/zinc/93/09/23/1384930923.db2.gz CCIVWLBACNMIMI-LBPRGKRZSA-N 1 0 333.363 3.167 20 5 EGBDRO COC[C@H]1CCCC[N@@H+]1[C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173178291 1384932018 /nfs/dbraw/zinc/93/20/18/1384932018.db2.gz AEKMZAMDBZLUBS-CHWSQXEVSA-N 1 0 340.395 3.174 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]Cc2cnccc2C)c1F ZINC001173180660 1384932377 /nfs/dbraw/zinc/93/23/77/1384932377.db2.gz YAWDTSADAKVURA-GFCCVEGCSA-N 1 0 333.363 3.167 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+](C)C[C@H]2CCCCO2)c1F ZINC001173190486 1384933371 /nfs/dbraw/zinc/93/33/71/1384933371.db2.gz TVXBNUFEDFORQJ-QWHCGFSZSA-N 1 0 340.395 3.174 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001173211255 1384936017 /nfs/dbraw/zinc/93/60/17/1384936017.db2.gz REDLKYXCAOWJQE-HIFRSBDPSA-N 1 0 349.431 3.125 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC1CN(Cc2ccccc2)C1 ZINC001173214573 1384936969 /nfs/dbraw/zinc/93/69/69/1384936969.db2.gz PICQZHONCPPCKV-MRXNPFEDSA-N 1 0 339.439 3.247 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](CO)Cc1ccc(Cl)cc1 ZINC001173214684 1384936997 /nfs/dbraw/zinc/93/69/97/1384936997.db2.gz DTEYJOLGYYPZJA-CXAGYDPISA-N 1 0 348.830 3.372 20 5 EGBDRO Cc1ccccc1C1([NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)COC1 ZINC001173221154 1384938264 /nfs/dbraw/zinc/93/82/64/1384938264.db2.gz KVDOXZFSGXTGLO-OAHLLOKOSA-N 1 0 326.396 3.350 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[NH+](CC2CCCC2)CC1 ZINC001173228162 1384940015 /nfs/dbraw/zinc/94/00/15/1384940015.db2.gz UCXPGRHEJLPSPU-MRXNPFEDSA-N 1 0 331.460 3.334 20 5 EGBDRO COC(=O)[C@H](C[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC001173229338 1384940785 /nfs/dbraw/zinc/94/07/85/1384940785.db2.gz NBDDZMZNVIVWFX-KBXCAEBGSA-N 1 0 342.395 3.072 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1c2ccccc2CC[C@H]1O ZINC001173232028 1384941207 /nfs/dbraw/zinc/94/12/07/1384941207.db2.gz CIRPPQVSAMAUEB-ZNOIYHFQSA-N 1 0 326.396 3.164 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)C[C@@H]1Cc2ccccc2O1 ZINC001173238351 1384942748 /nfs/dbraw/zinc/94/27/48/1384942748.db2.gz QJDADOZEEBCUOS-KDOFPFPSSA-N 1 0 326.396 3.461 20 5 EGBDRO Cc1cc(C)cc(C(=O)NCCC[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC001174562765 1385119994 /nfs/dbraw/zinc/11/99/94/1385119994.db2.gz OINLPTOHBGJHHT-UHFFFAOYSA-N 1 0 341.411 3.121 20 5 EGBDRO C[NH+]1CCN(c2cccc(F)c2Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC001175737450 1385390290 /nfs/dbraw/zinc/39/02/90/1385390290.db2.gz UMVDSLGSIUETFY-UHFFFAOYSA-N 1 0 348.353 3.368 20 5 EGBDRO CC[NH+](CC)Cc1ccccc1CNc1c(C)cncc1[N+](=O)[O-] ZINC001320576073 1386656069 /nfs/dbraw/zinc/65/60/69/1386656069.db2.gz OIFKUZHQLXLGNV-UHFFFAOYSA-N 1 0 328.416 3.174 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC001320858954 1386740416 /nfs/dbraw/zinc/74/04/16/1386740416.db2.gz VFBHQLWKROGPHK-UHFFFAOYSA-N 1 0 346.431 3.385 20 5 EGBDRO CO[C@@H]1CC[C@H]([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC001333001517 1390234555 /nfs/dbraw/zinc/23/45/55/1390234555.db2.gz WELQSDKWFDDVGN-JGVFFNPUSA-N 1 0 335.223 3.076 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(C[NH2+][C@H]2C[C@H](CO)C2)o1 ZINC001333521103 1390326312 /nfs/dbraw/zinc/32/63/12/1390326312.db2.gz XKPZYZGYXBJYON-UMSPYCQHSA-N 1 0 336.775 3.369 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)c2ncnc(N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)c2c1 ZINC001333670908 1390369982 /nfs/dbraw/zinc/36/99/82/1390369982.db2.gz ASBAFSPIYNFRKQ-MNOVXSKESA-N 1 0 347.806 3.230 20 5 EGBDRO COC(=O)c1cc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)cs1 ZINC001333682019 1390373568 /nfs/dbraw/zinc/37/35/68/1390373568.db2.gz FTSYQSHOYTZJHT-UHFFFAOYSA-N 1 0 334.397 3.468 20 5 EGBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H](C[NH3+])C1CCCCCC1 ZINC001341306593 1390469012 /nfs/dbraw/zinc/46/90/12/1390469012.db2.gz IIOCSQZSSOFYGQ-MRXNPFEDSA-N 1 0 333.432 3.099 20 5 EGBDRO CN(CCC[NH+](C)C)C(=O)Nc1ccc([N+](=O)[O-])c2ccccc12 ZINC001345466199 1390861078 /nfs/dbraw/zinc/86/10/78/1390861078.db2.gz NAIDKKWOPVNCGW-UHFFFAOYSA-N 1 0 330.388 3.163 20 5 EGBDRO CC[NH+](CC)[C@@H](CNc1c(C)cncc1[N+](=O)[O-])c1ccsc1 ZINC001346019289 1390901317 /nfs/dbraw/zinc/90/13/17/1390901317.db2.gz ZMHOFAOEGQGLCK-AWEZNQCLSA-N 1 0 334.445 3.277 20 5 EGBDRO CC(C)[C@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)Nc1ccccc1 ZINC001346181874 1390913539 /nfs/dbraw/zinc/91/35/39/1390913539.db2.gz SNVVCKYQRLVJQJ-OALUTQOASA-N 1 0 343.427 3.355 20 5 EGBDRO Cc1ccc([C@H](C)NC(=O)[C@@H]2CC[C@H]3C[C@H](C)C[N@@H+]3C2)cc1[N+](=O)[O-] ZINC001346668337 1390968056 /nfs/dbraw/zinc/96/80/56/1390968056.db2.gz LMIVKUNYORQJBZ-SDNTUTLCSA-N 1 0 345.443 3.201 20 5 EGBDRO Cc1ccc(C[N@@H+]2CCCN(c3cccnc3[N+](=O)[O-])CC2)cc1 ZINC001348613361 1391244754 /nfs/dbraw/zinc/24/47/54/1391244754.db2.gz HBXPFBNYIKYGNV-UHFFFAOYSA-N 1 0 326.400 3.011 20 5 EGBDRO O=C(CC1=CCCCC1)NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001754511130 1440617647 /nfs/dbraw/zinc/61/76/47/1440617647.db2.gz TUIGGVRMDPUMQA-UHFFFAOYSA-N 1 0 343.427 3.224 20 5 EGBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1c1cc(Cl)nc2ccc([N+](=O)[O-])cc21 ZINC001164637593 719238407 /nfs/dbraw/zinc/23/84/07/719238407.db2.gz WNZNDQPVWHPOTN-GHMZBOCLSA-N 1 0 334.807 3.325 20 5 EGBDRO CC[NH+](CC)C1CCN(c2ccc3ccc([N+](=O)[O-])cc3n2)CC1 ZINC001165053490 722001908 /nfs/dbraw/zinc/00/19/08/722001908.db2.gz NTWBLNWPHKYLHH-UHFFFAOYSA-N 1 0 328.416 3.454 20 5 EGBDRO Cc1nn(C)c(Nc2cccc(CC[NH+]3CCCC3)c2)c1[N+](=O)[O-] ZINC000179648243 233272142 /nfs/dbraw/zinc/27/21/42/233272142.db2.gz KSKFMLURMPABEV-UHFFFAOYSA-N 1 0 329.404 3.019 20 5 EGBDRO Cc1ccc(NC(=O)NC[C@H](c2ccsc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000040095631 213263837 /nfs/dbraw/zinc/26/38/37/213263837.db2.gz MLXMALDWOXKKGD-OAHLLOKOSA-N 1 0 348.428 3.389 20 5 EGBDRO CN(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)CC1([NH+](C)C)CCC1 ZINC000186938198 236071512 /nfs/dbraw/zinc/07/15/12/236071512.db2.gz QLGRCICKSOZHHC-UHFFFAOYSA-N 1 0 344.415 3.166 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]CCOCC(F)(F)C(F)F)cc1[N+](=O)[O-] ZINC000189861870 237327284 /nfs/dbraw/zinc/32/72/84/237327284.db2.gz GIGJRFROJVNVKW-JTQLQIEISA-N 1 0 338.301 3.471 20 5 EGBDRO C[C@@H](c1cccnc1)[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000129530950 223066325 /nfs/dbraw/zinc/06/63/25/223066325.db2.gz SGRPIIXXILXSBO-LBPRGKRZSA-N 1 0 346.362 3.151 20 5 EGBDRO C[C@@](O)(C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000130337997 223145310 /nfs/dbraw/zinc/14/53/10/223145310.db2.gz QJCMFDAKWIDSPJ-SIXWZSSISA-N 1 0 344.411 3.396 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000072693481 216294568 /nfs/dbraw/zinc/29/45/68/216294568.db2.gz OKEPBLHKSRVIJR-PBHICJAKSA-N 1 0 331.416 3.496 20 5 EGBDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000247057336 243363092 /nfs/dbraw/zinc/36/30/92/243363092.db2.gz TYQMQRNAVYXBBM-JKSUJKDBSA-N 1 0 345.443 3.321 20 5 EGBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(NC(N)=O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000123010133 296150608 /nfs/dbraw/zinc/15/06/08/296150608.db2.gz SAIMTKAIMAITFH-NWDGAFQWSA-N 1 0 328.372 3.497 20 5 EGBDRO Cc1cc([N+](=O)[O-])cnc1N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000111176505 220105184 /nfs/dbraw/zinc/10/51/84/220105184.db2.gz UPQBXQLHXGYSLK-INIZCTEOSA-N 1 0 326.400 3.375 20 5 EGBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000266437529 248300282 /nfs/dbraw/zinc/30/02/82/248300282.db2.gz UKICLBVUJUHRIE-AWEZNQCLSA-N 1 0 347.459 3.306 20 5 EGBDRO Cc1nc(C[C@H]2CCC[N@@H+]([C@@H](C)c3ccccc3[N+](=O)[O-])C2)no1 ZINC000266522373 248343843 /nfs/dbraw/zinc/34/38/43/248343843.db2.gz IVJMWXINGHYIKQ-GXTWGEPZSA-N 1 0 330.388 3.302 20 5 EGBDRO COc1ccc(C[N@@H+]2CCC[C@H](C[C@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000378401831 169115393 /nfs/dbraw/zinc/11/53/93/169115393.db2.gz LDZNQGBJBHABIU-GDBMZVCRSA-N 1 0 334.416 3.242 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000091937802 218092427 /nfs/dbraw/zinc/09/24/27/218092427.db2.gz DRUOIMSRXFPRKE-HOTGVXAUSA-N 1 0 345.443 3.076 20 5 EGBDRO CC[C@H]1C[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCS1 ZINC000093501937 218229085 /nfs/dbraw/zinc/22/90/85/218229085.db2.gz BURZQSQJVACOHM-INIZCTEOSA-N 1 0 346.456 3.323 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N(CC[NH+](C)C)Cc2cccs2)c1 ZINC000267729173 251292873 /nfs/dbraw/zinc/29/28/73/251292873.db2.gz MTQXGNUDDHKLSU-UHFFFAOYSA-N 1 0 347.440 3.169 20 5 EGBDRO COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)CC2 ZINC000268788741 252240787 /nfs/dbraw/zinc/24/07/87/252240787.db2.gz BCPONCZQLXOZGF-INIZCTEOSA-N 1 0 328.368 3.389 20 5 EGBDRO CCC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000097257772 219004900 /nfs/dbraw/zinc/00/49/00/219004900.db2.gz HHYZYAHQBLVMAB-NSHDSACASA-N 1 0 340.811 3.102 20 5 EGBDRO C[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000180864874 533220142 /nfs/dbraw/zinc/22/01/42/533220142.db2.gz NPQJHEYOSCXIBE-KGLIPLIRSA-N 1 0 346.431 3.369 20 5 EGBDRO Cc1cc(NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)ncc1[N+](=O)[O-] ZINC000119272296 221281705 /nfs/dbraw/zinc/28/17/05/221281705.db2.gz LZYYAQWXHSPRKL-AWEZNQCLSA-N 1 0 341.415 3.331 20 5 EGBDRO Cc1cc(NC2CC[NH+]([C@H](C)c3ccncc3)CC2)ncc1[N+](=O)[O-] ZINC000119272405 221282155 /nfs/dbraw/zinc/28/21/55/221282155.db2.gz LZYYAQWXHSPRKL-CQSZACIVSA-N 1 0 341.415 3.331 20 5 EGBDRO C[C@H]1CCCC[C@H]1C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000346212207 141181747 /nfs/dbraw/zinc/18/17/47/141181747.db2.gz WSVDBHHJKSFTQG-RDJZCZTQSA-N 1 0 345.443 3.179 20 5 EGBDRO C[NH+](C)[C@@]1(CNc2ccc([N+](=O)[O-])cc2OC(F)F)CCSC1 ZINC000354567459 141307791 /nfs/dbraw/zinc/30/77/91/141307791.db2.gz FMPFHQIHWZLOMR-CQSZACIVSA-N 1 0 347.387 3.045 20 5 EGBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000172153922 144016357 /nfs/dbraw/zinc/01/63/57/144016357.db2.gz ZSBWCGRTAILLON-HOCLYGCPSA-N 1 0 348.447 3.220 20 5 EGBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H]2Cc2ccccc2Cl)c1 ZINC000172722840 144026326 /nfs/dbraw/zinc/02/63/26/144026326.db2.gz GXHNZIZYMQHXQC-AWEZNQCLSA-N 1 0 334.807 3.152 20 5 EGBDRO COc1cc(CN(C)CC[C@H]2CCCC[N@@H+]2C)c([N+](=O)[O-])cc1F ZINC000184223917 144089483 /nfs/dbraw/zinc/08/94/83/144089483.db2.gz AIEIVSFACQQBSX-CQSZACIVSA-N 1 0 339.411 3.049 20 5 EGBDRO COc1cccc(NC[C@@H](c2cccc(F)c2)[NH+](C)C)c1[N+](=O)[O-] ZINC000185102297 144104624 /nfs/dbraw/zinc/10/46/24/144104624.db2.gz BIWKTETZYBFQQA-HNNXBMFYSA-N 1 0 333.363 3.457 20 5 EGBDRO CN(CC1([NH+](C)C)CCC1)C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000186993490 144149794 /nfs/dbraw/zinc/14/97/94/144149794.db2.gz ZHHNUMIZPCWBOR-UHFFFAOYSA-N 1 0 347.459 3.449 20 5 EGBDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000344625118 144201305 /nfs/dbraw/zinc/20/13/05/144201305.db2.gz DXXOQQGEGUGTHI-CYBMUJFWSA-N 1 0 344.415 3.070 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCCOC[C@H]1CCOC1 ZINC000344790446 144224796 /nfs/dbraw/zinc/22/47/96/144224796.db2.gz IZBTXPGCQCRKIE-XBNGYDHASA-N 1 0 334.416 3.031 20 5 EGBDRO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CC[C@@](CO)(c2ccccc2)C1 ZINC000361579924 144331883 /nfs/dbraw/zinc/33/18/83/144331883.db2.gz YCTUWSBDDCHSMC-GOSISDBHSA-N 1 0 346.814 3.384 20 5 EGBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)C[C@H]21 ZINC000369913177 144456546 /nfs/dbraw/zinc/45/65/46/144456546.db2.gz QGXHRYSMZZNERX-ZLKJLUDKSA-N 1 0 345.424 3.009 20 5 EGBDRO C[N@H+](CCc1cccc(NC(=O)c2ccccc2[N+](=O)[O-])c1)C1CC1 ZINC000341227479 155213847 /nfs/dbraw/zinc/21/38/47/155213847.db2.gz HWSPAZUBSDTHLM-UHFFFAOYSA-N 1 0 339.395 3.484 20 5 EGBDRO COC(=O)CC[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])CC(C)C ZINC000341486801 155320614 /nfs/dbraw/zinc/32/06/14/155320614.db2.gz XAZMKHASVICWPJ-UHFFFAOYSA-N 1 0 328.796 3.269 20 5 EGBDRO CN(c1ccccc1)c1ccc(C[NH2+]C(C)(C)CO)cc1[N+](=O)[O-] ZINC000116341448 152057163 /nfs/dbraw/zinc/05/71/63/152057163.db2.gz FSBUTHXEUQFNKW-UHFFFAOYSA-N 1 0 329.400 3.223 20 5 EGBDRO CC[C@@H]1CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000117344225 152094253 /nfs/dbraw/zinc/09/42/53/152094253.db2.gz VJQOTJOJZBCSIF-CQSZACIVSA-N 1 0 349.431 3.444 20 5 EGBDRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCCC[C@@H]1c1ncc[nH]1 ZINC000120198414 152258278 /nfs/dbraw/zinc/25/82/78/152258278.db2.gz HHXVJEGJCSTQFG-MVGZEHJDSA-N 1 0 326.356 3.085 20 5 EGBDRO COC(=O)[C@@H](C)C[N@H+](C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000120610054 152287858 /nfs/dbraw/zinc/28/78/58/152287858.db2.gz FIISCPALIWSKEE-LBPRGKRZSA-N 1 0 332.356 3.096 20 5 EGBDRO O=[N+]([O-])c1cccc(CC[NH2+]Cc2cncc(Br)c2)c1 ZINC000341559800 155353893 /nfs/dbraw/zinc/35/38/93/155353893.db2.gz PUHBGEOSYMEXNP-UHFFFAOYSA-N 1 0 336.189 3.085 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)c1 ZINC000408232157 292282349 /nfs/dbraw/zinc/28/23/49/292282349.db2.gz RQPXBGXGKGPFFK-XHSDSOJGSA-N 1 0 345.443 3.381 20 5 EGBDRO CCC[C@@H]([NH2+][C@H](C)C(=O)N1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000193926130 153314122 /nfs/dbraw/zinc/31/41/22/153314122.db2.gz HPVWSYZMEJQVAK-RHSMWYFYSA-N 1 0 333.432 3.427 20 5 EGBDRO Cc1ccc(C(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000303485321 154045135 /nfs/dbraw/zinc/04/51/35/154045135.db2.gz PDMCEFZRQMZIDB-OAHLLOKOSA-N 1 0 341.411 3.154 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCC[C@H]3CCCO)o2)c1 ZINC000304302719 154070343 /nfs/dbraw/zinc/07/03/43/154070343.db2.gz LWNXMDZDRHMXSB-HNNXBMFYSA-N 1 0 345.399 3.029 20 5 EGBDRO Cc1ccc2c(c1)CC[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000337480239 154374239 /nfs/dbraw/zinc/37/42/39/154374239.db2.gz VHHJKMMBJBSSCQ-UHFFFAOYSA-N 1 0 339.395 3.290 20 5 EGBDRO CC(C)Oc1cccc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])c1 ZINC000348892911 156278605 /nfs/dbraw/zinc/27/86/05/156278605.db2.gz JYFVWFLPDRMBLF-UHFFFAOYSA-N 1 0 329.400 3.347 20 5 EGBDRO CCCOc1cccc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])c1 ZINC000348893777 156279721 /nfs/dbraw/zinc/27/97/21/156279721.db2.gz MKALWWNDRRBMCW-UHFFFAOYSA-N 1 0 329.400 3.349 20 5 EGBDRO C[C@H]1CN(Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000352681607 156419106 /nfs/dbraw/zinc/41/91/06/156419106.db2.gz NCBFMTIMHNKWRN-HNNXBMFYSA-N 1 0 340.427 3.156 20 5 EGBDRO Cn1nccc1[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000372604351 157366227 /nfs/dbraw/zinc/36/62/27/157366227.db2.gz KDAYVTFAMVFZFB-GFCCVEGCSA-N 1 0 334.807 3.361 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@H](C)CCC[C@@H]1C ZINC000125165127 162265600 /nfs/dbraw/zinc/26/56/00/162265600.db2.gz CJYNQIOKRWXCHS-OLZOCXBDSA-N 1 0 335.404 3.052 20 5 EGBDRO CC[N@H+](CCC(=O)OC)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000130497991 162370874 /nfs/dbraw/zinc/37/08/74/162370874.db2.gz YLQLEURHVHTNJA-UHFFFAOYSA-N 1 0 332.356 3.240 20 5 EGBDRO C[C@@H]1C[NH+](CCCCNc2c(F)cccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000342501146 163895736 /nfs/dbraw/zinc/89/57/36/163895736.db2.gz AFAHKYLPKLRUFB-CHWSQXEVSA-N 1 0 325.384 3.035 20 5 EGBDRO Cc1c(C(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000344151122 164114856 /nfs/dbraw/zinc/11/48/56/164114856.db2.gz MYYSELWPLHTYHN-ACJLOTCBSA-N 1 0 333.432 3.144 20 5 EGBDRO C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCCN1C ZINC000344318298 164155119 /nfs/dbraw/zinc/15/51/19/164155119.db2.gz AMCHKVKSDLLHSD-CXAGYDPISA-N 1 0 329.400 3.427 20 5 EGBDRO COc1ccc(-c2ccc(C[NH2+][C@H](CCO)C(C)C)o2)c([N+](=O)[O-])c1 ZINC000344531845 164187459 /nfs/dbraw/zinc/18/74/59/164187459.db2.gz FQMQWFXTXCHOAA-MRXNPFEDSA-N 1 0 348.399 3.360 20 5 EGBDRO CCc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](CC)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000349886512 164967554 /nfs/dbraw/zinc/96/75/54/164967554.db2.gz WXPVXMMTARWQCW-XJKSGUPXSA-N 1 0 333.432 3.102 20 5 EGBDRO C[C@H](CC[NH+](C)C)NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000355174453 166124103 /nfs/dbraw/zinc/12/41/03/166124103.db2.gz ZKECQCUQWVFSEY-SECBINFHSA-N 1 0 348.325 3.075 20 5 EGBDRO CN(Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)CC1(O)CCC1 ZINC000355360925 166174971 /nfs/dbraw/zinc/17/49/71/166174971.db2.gz GRTMEROZNGMKEX-UHFFFAOYSA-N 1 0 333.413 3.065 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCN3CC=CCC3)o2)cc1 ZINC000355529925 166232969 /nfs/dbraw/zinc/23/29/69/166232969.db2.gz IXEBRGCZDQANOO-UHFFFAOYSA-N 1 0 327.384 3.206 20 5 EGBDRO CCc1cnccc1[C@H](C)[NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000361134304 167532633 /nfs/dbraw/zinc/53/26/33/167532633.db2.gz DLTXVAMQVVMZHO-STQMWFEESA-N 1 0 342.399 3.230 20 5 EGBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000367540319 168238942 /nfs/dbraw/zinc/23/89/42/168238942.db2.gz KOKPPEJIDIRWRJ-ARFHVFGLSA-N 1 0 326.400 3.096 20 5 EGBDRO COCCC[NH+]1CCC(N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000159113392 225149635 /nfs/dbraw/zinc/14/96/35/225149635.db2.gz FYGMKJJEEUZKEA-HNNXBMFYSA-N 1 0 335.448 3.055 20 5 EGBDRO C[C@@H]1CCC[C@@](CNC(=O)CCc2cccc([N+](=O)[O-])c2)([NH+](C)C)C1 ZINC000087167370 264681541 /nfs/dbraw/zinc/68/15/41/264681541.db2.gz YMRDGEJGQIKQTJ-DNVCBOLYSA-N 1 0 347.459 3.154 20 5 EGBDRO CC[NH+](CC)[C@@H](CNC(=O)c1cc(C)ccc1[N+](=O)[O-])CC(C)C ZINC000173707293 264997266 /nfs/dbraw/zinc/99/72/66/264997266.db2.gz JZZWVQHHDSXDGL-OAHLLOKOSA-N 1 0 335.448 3.390 20 5 EGBDRO CC[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000174835939 265075269 /nfs/dbraw/zinc/07/52/69/265075269.db2.gz GXLFGMGVPGPULG-MSOLQXFVSA-N 1 0 328.416 3.450 20 5 EGBDRO Cc1ccc(NC(=O)N(CC[NH+](C)C)C2CCCC2)cc1[N+](=O)[O-] ZINC000176399245 265176467 /nfs/dbraw/zinc/17/64/67/265176467.db2.gz JXVXFQZBUNCCGL-UHFFFAOYSA-N 1 0 334.420 3.241 20 5 EGBDRO C[C@@H]([N@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1(C)CC1 ZINC000177213950 265241809 /nfs/dbraw/zinc/24/18/09/265241809.db2.gz JOFVZNHVGCZUMV-SNVBAGLBSA-N 1 0 325.796 3.307 20 5 EGBDRO CN1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C2(CCCCC2)C1 ZINC000178406264 265313742 /nfs/dbraw/zinc/31/37/42/265313742.db2.gz VBLXTQWTUYPIPV-UHFFFAOYSA-N 1 0 347.459 3.314 20 5 EGBDRO CC(C)N(CC[NH+](C)C)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000178594983 265326800 /nfs/dbraw/zinc/32/68/00/265326800.db2.gz JRMUGPZVBNAQHM-UHFFFAOYSA-N 1 0 335.429 3.222 20 5 EGBDRO C[C@@H]1CCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[C@@H]1C[NH3+] ZINC000179223221 265368183 /nfs/dbraw/zinc/36/81/83/265368183.db2.gz FQZBVZOYKOBWBN-ZWNOBZJWSA-N 1 0 333.413 3.009 20 5 EGBDRO CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000191375176 265901412 /nfs/dbraw/zinc/90/14/12/265901412.db2.gz XZLNVJMKRFNCMI-JKSUJKDBSA-N 1 0 349.431 3.107 20 5 EGBDRO CCC1(CC)[C@@H]([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@@H]1OC ZINC000191369909 265901613 /nfs/dbraw/zinc/90/16/13/265901613.db2.gz VZGSVWGYILBBHL-HOTGVXAUSA-N 1 0 349.431 3.025 20 5 EGBDRO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(S(C)(=O)=O)cc1 ZINC000192543212 265975341 /nfs/dbraw/zinc/97/53/41/265975341.db2.gz LIGXVPFVXZIHQU-STQMWFEESA-N 1 0 348.424 3.410 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000269408803 266288662 /nfs/dbraw/zinc/28/86/62/266288662.db2.gz IPASMROVEJRAMV-CJNGLKHVSA-N 1 0 331.416 3.057 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@H](c3cccc(F)c3)C2)c1 ZINC000269643080 266332284 /nfs/dbraw/zinc/33/22/84/266332284.db2.gz JUASXUHSMLDXHD-MAUKXSAKSA-N 1 0 330.359 3.257 20 5 EGBDRO Cc1ccccc1[C@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269672255 266338170 /nfs/dbraw/zinc/33/81/70/266338170.db2.gz VBGBZNSAUAQEIX-LPHOPBHVSA-N 1 0 326.396 3.426 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CC[C@H](c3ccc(F)cc3)C2)c1 ZINC000269673349 266339800 /nfs/dbraw/zinc/33/98/00/266339800.db2.gz VKQSKYKFBHCYLO-YJBOKZPZSA-N 1 0 330.359 3.257 20 5 EGBDRO CCOc1ccc([C@H](C)[NH2+]CCCn2ccnc2C)cc1[N+](=O)[O-] ZINC000271143841 266609615 /nfs/dbraw/zinc/60/96/15/266609615.db2.gz OXMYMSNEYGSQIW-ZDUSSCGKSA-N 1 0 332.404 3.239 20 5 EGBDRO O=[N+]([O-])c1cnc(NCc2ccc(C[NH+]3CCCCCC3)cc2)nc1 ZINC000273641745 267073764 /nfs/dbraw/zinc/07/37/64/267073764.db2.gz SGJJVISNMYKDCZ-UHFFFAOYSA-N 1 0 341.415 3.373 20 5 EGBDRO C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H](c1ccccc1)[NH+](C)C ZINC000185939933 274242555 /nfs/dbraw/zinc/24/25/55/274242555.db2.gz QKUVTSZSLCSBCJ-CXAGYDPISA-N 1 0 342.399 3.408 20 5 EGBDRO Cc1ncc2c(n1)CC[C@H]([NH2+][C@@H]1CCCc3ccc([N+](=O)[O-])cc31)C2 ZINC000375712506 274857556 /nfs/dbraw/zinc/85/75/56/274857556.db2.gz SGZCODMXIKGWES-HNAYVOBHSA-N 1 0 338.411 3.218 20 5 EGBDRO O=[N+]([O-])c1cccc(Cl)c1NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000368389779 275039319 /nfs/dbraw/zinc/03/93/19/275039319.db2.gz YRDVCBYBNIAFMH-LBPRGKRZSA-N 1 0 339.823 3.161 20 5 EGBDRO Cc1nn(C)c(C)c1C[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000278617088 275259523 /nfs/dbraw/zinc/25/95/23/275259523.db2.gz DJJJFLWBUKMHGH-UHFFFAOYSA-N 1 0 342.321 3.254 20 5 EGBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCc3nccn3C2)cc1[N+](=O)[O-] ZINC000278934859 275289121 /nfs/dbraw/zinc/28/91/21/275289121.db2.gz JMUMTAHKOBLJQJ-ZIAGYGMSSA-N 1 0 344.415 3.103 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCc3nccn3C1)CCC2 ZINC000279025977 275296973 /nfs/dbraw/zinc/29/69/73/275296973.db2.gz VLJOHRFVDUROMQ-GUYCJALGSA-N 1 0 326.400 3.021 20 5 EGBDRO C[C@@H]([NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C(=O)NC(C)(C)C ZINC000279176829 275310097 /nfs/dbraw/zinc/31/00/97/275310097.db2.gz VELZXJBSPFMZAJ-ABAIWWIYSA-N 1 0 333.432 3.210 20 5 EGBDRO CC[N@@H+]1CC[C@@H](NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[C@@H](C)C1 ZINC000279609685 275343863 /nfs/dbraw/zinc/34/38/63/275343863.db2.gz XGUMQDTWKJUFKR-XHDPSFHLSA-N 1 0 345.365 3.434 20 5 EGBDRO C[C@@H](O)C[C@H]1CCCC[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000279718192 275352695 /nfs/dbraw/zinc/35/26/95/275352695.db2.gz IRMMYQHRHZCRSP-CXAGYDPISA-N 1 0 345.399 3.375 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@@H](C)OC2(CCOCC2)C1 ZINC000279849290 275365709 /nfs/dbraw/zinc/36/57/09/275365709.db2.gz RZLKXXJSZWGYKT-CABCVRRESA-N 1 0 334.416 3.234 20 5 EGBDRO CN(CCC[NH+]1CCCC1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000281448255 275550394 /nfs/dbraw/zinc/55/03/94/275550394.db2.gz SFPIDQIMKOXVBE-UHFFFAOYSA-N 1 0 340.811 3.198 20 5 EGBDRO O=[N+]([O-])c1cccnc1N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000286441483 276001232 /nfs/dbraw/zinc/00/12/32/276001232.db2.gz SPVNHKHTEUGUII-IBGZPJMESA-N 1 0 338.411 3.092 20 5 EGBDRO Cn1cc(C[NH2+]C[C@H]2CCCSC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000288519331 276222973 /nfs/dbraw/zinc/22/29/73/276222973.db2.gz UPGHGBYMVNHSCS-CYBMUJFWSA-N 1 0 346.456 3.228 20 5 EGBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000344695449 277041535 /nfs/dbraw/zinc/04/15/35/277041535.db2.gz GCOBIKIPVVXTPX-MRXNPFEDSA-N 1 0 345.399 3.191 20 5 EGBDRO CC(C)(C)c1ccc(C(=O)N(C2CC2)C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000370786624 277266062 /nfs/dbraw/zinc/26/60/62/277266062.db2.gz KFDSPJIXKMIVJK-UHFFFAOYSA-N 1 0 345.443 3.249 20 5 EGBDRO CC(C)c1ccc(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000368933892 278032929 /nfs/dbraw/zinc/03/29/29/278032929.db2.gz RFWRGOGWLHDGQD-GJZGRUSLSA-N 1 0 331.416 3.075 20 5 EGBDRO CC[C@H]([NH2+][C@@H]1CCC[C@H]2CN(C(C)=O)C[C@H]21)c1cccc([N+](=O)[O-])c1 ZINC000343989916 288069218 /nfs/dbraw/zinc/06/92/18/288069218.db2.gz PQBKMHVVXOLXGN-WZGPROSRSA-N 1 0 345.443 3.283 20 5 EGBDRO CC[N@H+](CCNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)C1CC1 ZINC000338437862 279205524 /nfs/dbraw/zinc/20/55/24/279205524.db2.gz RKDDRJAFLJRIBT-UHFFFAOYSA-N 1 0 333.432 3.106 20 5 EGBDRO C[NH+]1CCC2(CCCN(c3c(F)cc([N+](=O)[O-])cc3F)C2)CC1 ZINC000376677189 289901800 /nfs/dbraw/zinc/90/18/00/289901800.db2.gz BSHBAHKVXJVLSZ-UHFFFAOYSA-N 1 0 325.359 3.185 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000054349107 307337871 /nfs/dbraw/zinc/33/78/71/307337871.db2.gz RHLKFDGBDOHZOJ-UHFFFAOYSA-N 1 0 342.399 3.157 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@H]2CCCC[C@@H]2O)o1 ZINC000077465200 307412396 /nfs/dbraw/zinc/41/23/96/307412396.db2.gz KTXLLELDUKZRSV-DYVFJYSZSA-N 1 0 330.384 3.496 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCN(CC(F)(F)F)C1 ZINC000125806502 307559858 /nfs/dbraw/zinc/55/98/58/307559858.db2.gz FJRNVPALXRCWQX-VXGBXAGGSA-N 1 0 331.338 3.190 20 5 EGBDRO C[C@H]1CC([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000128587080 307602637 /nfs/dbraw/zinc/60/26/37/307602637.db2.gz PSODRGPKJVXISR-STQMWFEESA-N 1 0 344.415 3.041 20 5 EGBDRO CO[C@@H]1C[C@@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C12CCC2 ZINC000414194599 309066005 /nfs/dbraw/zinc/06/60/05/309066005.db2.gz ULAQWGYQYGJIAP-KBAYOESNSA-N 1 0 330.428 3.463 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@@H](CO)c1ccc(F)cc1)CCC2 ZINC000414305879 309071828 /nfs/dbraw/zinc/07/18/28/309071828.db2.gz YVOGIMQFJCISHA-KXBFYZLASA-N 1 0 344.386 3.477 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC1(C(=O)N(C)C)CCCC1 ZINC000165106799 307929011 /nfs/dbraw/zinc/92/90/11/307929011.db2.gz VZJQJNJAWYOFEY-CQSZACIVSA-N 1 0 333.432 3.202 20 5 EGBDRO Cc1ccc([C@H](C)NC(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000246855621 307984418 /nfs/dbraw/zinc/98/44/18/307984418.db2.gz CIJBUPIBLZTBBR-AJNGGQMLSA-N 1 0 333.432 3.342 20 5 EGBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000248771938 308011222 /nfs/dbraw/zinc/01/12/22/308011222.db2.gz HIAKBUWFJMTJSF-WBVHZDCISA-N 1 0 347.459 3.012 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c(Br)c1 ZINC000252513257 308032171 /nfs/dbraw/zinc/03/21/71/308032171.db2.gz ORFBERCSZLLPDD-QWRGUYRKSA-N 1 0 340.221 3.396 20 5 EGBDRO CCC[C@@H](C)C(=O)NCC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000293848032 308167538 /nfs/dbraw/zinc/16/75/38/308167538.db2.gz YEAUMPDMAVPERK-RHSMWYFYSA-N 1 0 347.459 3.058 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2nc(CN3CCC[C@@H](O)CC3)cs2)c1 ZINC000293985861 308180312 /nfs/dbraw/zinc/18/03/12/308180312.db2.gz LHFCOTLSUCRTRW-OAHLLOKOSA-N 1 0 333.413 3.065 20 5 EGBDRO C[C@@H]([NH2+]C[C@]1(C)OCCc2sccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294415144 308218985 /nfs/dbraw/zinc/21/89/85/308218985.db2.gz UAZRUBBUKKVJOI-DIFFPNOSSA-N 1 0 347.440 3.377 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC000294681398 308245385 /nfs/dbraw/zinc/24/53/85/308245385.db2.gz BPKGVXIUUXXLOP-UKRRQHHQSA-N 1 0 341.415 3.091 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC000294681396 308245445 /nfs/dbraw/zinc/24/54/45/308245445.db2.gz BPKGVXIUUXXLOP-HIFRSBDPSA-N 1 0 341.415 3.091 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](O)CC(C)(C)C1 ZINC000295476209 308330622 /nfs/dbraw/zinc/33/06/22/308330622.db2.gz MHRDBORPAIZEAJ-INIZCTEOSA-N 1 0 336.432 3.365 20 5 EGBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC=C(c3cccnc3)C2)cc1 ZINC000296110264 308394435 /nfs/dbraw/zinc/39/44/35/308394435.db2.gz XVBKQXITPAUXQM-UHFFFAOYSA-N 1 0 325.368 3.158 20 5 EGBDRO [NH3+]C[C@@H]1CCCN1Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000414659433 309094184 /nfs/dbraw/zinc/09/41/84/309094184.db2.gz MZNLUDJRMJZQBZ-HNNXBMFYSA-N 1 0 345.374 3.449 20 5 EGBDRO CCCC[C@H](C[NH3+])NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000414808988 309102813 /nfs/dbraw/zinc/10/28/13/309102813.db2.gz FWASDKFGHCLGCY-CYBMUJFWSA-N 1 0 334.445 3.325 20 5 EGBDRO CCC[NH+]1CCC(N(C)C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000299240580 308667279 /nfs/dbraw/zinc/66/72/79/308667279.db2.gz KHTQKUUILFIJRD-UHFFFAOYSA-N 1 0 345.399 3.287 20 5 EGBDRO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])c(-c2ccccc2)n1)C1CC1 ZINC000301875916 308719521 /nfs/dbraw/zinc/71/95/21/308719521.db2.gz RWAHPEYZOHYCTP-MRXNPFEDSA-N 1 0 326.400 3.409 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2COc3ccccc3O2)cc1[N+](=O)[O-] ZINC000324180307 308769007 /nfs/dbraw/zinc/76/90/07/308769007.db2.gz PQKTZUGWUGTDDX-HIFRSBDPSA-N 1 0 328.368 3.394 20 5 EGBDRO C[C@H](C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)c1nccs1 ZINC000331390523 308805613 /nfs/dbraw/zinc/80/56/13/308805613.db2.gz ANBOIWZXNGDPEU-JHJVBQTASA-N 1 0 335.433 3.125 20 5 EGBDRO CCc1nc(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cs1 ZINC000331686588 308814254 /nfs/dbraw/zinc/81/42/54/308814254.db2.gz XSTZSPDUBFAXSZ-STQMWFEESA-N 1 0 335.433 3.084 20 5 EGBDRO CO[C@@](C)([C@@H](C)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C1CC1 ZINC000411977011 308960314 /nfs/dbraw/zinc/96/03/14/308960314.db2.gz XMECQBFWZMZPQW-ACJLOTCBSA-N 1 0 349.431 3.025 20 5 EGBDRO CC[N@@H+]1CCC[C@H](CNc2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000413092779 309015766 /nfs/dbraw/zinc/01/57/66/309015766.db2.gz LXVVAPZWAFJXBR-SNVBAGLBSA-N 1 0 332.326 3.152 20 5 EGBDRO [NH3+]C1(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CCC1 ZINC000414870750 309106547 /nfs/dbraw/zinc/10/65/47/309106547.db2.gz CHRUODGHZGPMHT-UHFFFAOYSA-N 1 0 335.791 3.479 20 5 EGBDRO CC1(C)CCC[NH2+][C@H]1CNCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414931304 309109831 /nfs/dbraw/zinc/10/98/31/309109831.db2.gz REJWTIORQHRLNE-AWEZNQCLSA-N 1 0 343.374 3.064 20 5 EGBDRO C[C@H](NC(=O)Nc1ccc2c(c1)C[NH2+]CC2)c1ccc([N+](=O)[O-])cc1 ZINC000415903664 309147224 /nfs/dbraw/zinc/14/72/24/309147224.db2.gz XAXORNDIFFKIAH-LBPRGKRZSA-N 1 0 340.383 3.123 20 5 EGBDRO CC[C@@H](NC(=O)NC[C@H]1[NH2+]CCCC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000417845530 309224867 /nfs/dbraw/zinc/22/48/67/309224867.db2.gz IQVUKBURKCUYBY-HZPDHXFCSA-N 1 0 348.447 3.123 20 5 EGBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC1([NH3+])CCCCC1 ZINC000418293658 309241738 /nfs/dbraw/zinc/24/17/38/309241738.db2.gz FSJABLKZXAEBFX-UHFFFAOYSA-N 1 0 348.447 3.176 20 5 EGBDRO CCc1ccccc1[C@@H]([NH3+])CNc1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000420264768 309278549 /nfs/dbraw/zinc/27/85/49/309278549.db2.gz BHNKWIQVASMYRF-INIZCTEOSA-N 1 0 327.384 3.472 20 5 EGBDRO Cc1ccc([C@H](C)NC(=O)NC2CCC([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000420806653 309295925 /nfs/dbraw/zinc/29/59/25/309295925.db2.gz PRUHKBYTONUCIG-JEYLPNPQSA-N 1 0 348.447 3.136 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000421436816 309324550 /nfs/dbraw/zinc/32/45/50/309324550.db2.gz XEPKTQMDFUWKSQ-GJZGRUSLSA-N 1 0 333.432 3.204 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000421740634 309337833 /nfs/dbraw/zinc/33/78/33/309337833.db2.gz KUZNVMOJHOMMHY-HNNXBMFYSA-N 1 0 333.432 3.206 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000421771859 309339457 /nfs/dbraw/zinc/33/94/57/309339457.db2.gz MTYYRJPDDNJTCO-UHFFFAOYSA-N 1 0 333.432 3.016 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(CCC[NH3+])CC1CCCC1 ZINC000423647727 309408907 /nfs/dbraw/zinc/40/89/07/309408907.db2.gz QWQBQNNPJJXRIU-UHFFFAOYSA-N 1 0 333.432 3.193 20 5 EGBDRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000423935417 309421114 /nfs/dbraw/zinc/42/11/14/309421114.db2.gz ALANNZBFLATTCQ-KRWDZBQOSA-N 1 0 341.411 3.204 20 5 EGBDRO Cc1cc(C[NH3+])cc(NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000424429378 309443362 /nfs/dbraw/zinc/44/33/62/309443362.db2.gz WVQQCIKKNPQPIN-UHFFFAOYSA-N 1 0 342.399 3.068 20 5 EGBDRO CC(C)C1(C)CC[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000426736914 309514271 /nfs/dbraw/zinc/51/42/71/309514271.db2.gz ZFOGVCMNPFEGEI-INIZCTEOSA-N 1 0 336.432 3.093 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](CCCO)c1ccccc1 ZINC000430206533 309601413 /nfs/dbraw/zinc/60/14/13/309601413.db2.gz OROJUKSKFIZQAJ-KRWDZBQOSA-N 1 0 330.384 3.207 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1CN1CC[NH+](C2CCCCC2)CC1 ZINC000430217948 309601952 /nfs/dbraw/zinc/60/19/52/309601952.db2.gz METUZKLFWDPSPV-UHFFFAOYSA-N 1 0 333.432 3.054 20 5 EGBDRO [NH3+][C@@H]1CCC[C@@H]1C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000430381669 309606864 /nfs/dbraw/zinc/60/68/64/309606864.db2.gz VLJIWRYKNRLMPE-DLBZAZTESA-N 1 0 341.367 3.453 20 5 EGBDRO CC[NH+](CC)CCCNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437680128 309797265 /nfs/dbraw/zinc/79/72/65/309797265.db2.gz ZMHJMESXEYCVGF-UHFFFAOYSA-N 1 0 348.447 3.001 20 5 EGBDRO CC1(C)CCc2ccccc2[C@@H]([NH2+]CCn2ccc([N+](=O)[O-])n2)C1 ZINC000440606935 309852637 /nfs/dbraw/zinc/85/26/37/309852637.db2.gz CKZHCYHFQCMUFT-INIZCTEOSA-N 1 0 328.416 3.485 20 5 EGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](CN(C)C)c1ccccc1 ZINC000449067912 310034380 /nfs/dbraw/zinc/03/43/80/310034380.db2.gz PBXBRNCQFXMSSC-MAUKXSAKSA-N 1 0 327.428 3.418 20 5 EGBDRO CC(C)CC(=O)N1CCC([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000449095739 310036674 /nfs/dbraw/zinc/03/66/74/310036674.db2.gz ARMCYVORMXQSIL-OAHLLOKOSA-N 1 0 347.459 3.153 20 5 EGBDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1ccc2c(c1)OCCCCO2 ZINC000449169541 310041973 /nfs/dbraw/zinc/04/19/73/310041973.db2.gz OUFWBYJYDAXGRS-UHFFFAOYSA-N 1 0 342.395 3.479 20 5 EGBDRO COc1ccc([C@H](CCO)[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000449200413 310044182 /nfs/dbraw/zinc/04/41/82/310044182.db2.gz DUPKGJOJXWBLBU-KDOFPFPSSA-N 1 0 344.411 3.248 20 5 EGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000449205418 310044558 /nfs/dbraw/zinc/04/45/58/310044558.db2.gz KHSFSLYCQASDAZ-SIUPPRGNSA-N 1 0 330.428 3.463 20 5 EGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000449205416 310044586 /nfs/dbraw/zinc/04/45/86/310044586.db2.gz KHSFSLYCQASDAZ-AETAKHFUSA-N 1 0 330.428 3.463 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[N@@H+](C2CC2)C[C@H](C)C1 ZINC000449344690 310055321 /nfs/dbraw/zinc/05/53/21/310055321.db2.gz DIUWMRJTJBJWIO-AAGJOFLKSA-N 1 0 329.444 3.414 20 5 EGBDRO CC[C@H](CO)[N@H+](C)Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000449376741 310057555 /nfs/dbraw/zinc/05/75/55/310057555.db2.gz OXIMBPBDXOZHTP-GFCCVEGCSA-N 1 0 334.372 3.066 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1CCOC2(CCC2)C1 ZINC000449475928 310065244 /nfs/dbraw/zinc/06/52/44/310065244.db2.gz LYWFJBGZUJXWQN-CQSZACIVSA-N 1 0 334.416 3.432 20 5 EGBDRO COC(=O)C(C)(C)CC[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000449494665 310066677 /nfs/dbraw/zinc/06/66/77/310066677.db2.gz BBNWNGYFJZEQCD-HNNXBMFYSA-N 1 0 334.416 3.364 20 5 EGBDRO C[C@H](Cc1cnn(C)c1)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000449593528 310074543 /nfs/dbraw/zinc/07/45/43/310074543.db2.gz ZYLKYKAHOSOIBY-CYBMUJFWSA-N 1 0 340.383 3.309 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+]C2(Cc3ccccc3)CCOCC2)cc1 ZINC000449718240 310082314 /nfs/dbraw/zinc/08/23/14/310082314.db2.gz OVSQKIURRKOOEE-UHFFFAOYSA-N 1 0 326.396 3.476 20 5 EGBDRO C[C@@H]1C[C@H](Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CC[N@@H+]1C ZINC000450353678 310117415 /nfs/dbraw/zinc/11/74/15/310117415.db2.gz GFWRUIPZQPMOSR-DGCLKSJQSA-N 1 0 332.429 3.035 20 5 EGBDRO CC[NH+](CC)C[C@H]1CCN(c2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000450364880 310118081 /nfs/dbraw/zinc/11/80/81/310118081.db2.gz ZILIGPDKAKTXJY-CQSZACIVSA-N 1 0 328.416 3.311 20 5 EGBDRO C[N@@H+]1CC[C@@]2(CCN(c3nc(-c4ccc([N+](=O)[O-])cc4)cs3)C2)C1 ZINC000450539505 310128786 /nfs/dbraw/zinc/12/87/86/310128786.db2.gz KHTVPFFRRPTPNG-QGZVFWFLSA-N 1 0 344.440 3.250 20 5 EGBDRO COc1c(C)cnc(C[N@H+](C)CCOc2ccccc2[N+](=O)[O-])c1C ZINC000451374318 310174897 /nfs/dbraw/zinc/17/48/97/310174897.db2.gz KIGIYKWJAPZHFM-UHFFFAOYSA-N 1 0 345.399 3.126 20 5 EGBDRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H]2CCC23CCCC3)c([N+](=O)[O-])c1 ZINC000451451707 310179008 /nfs/dbraw/zinc/17/90/08/310179008.db2.gz BFRMBBRLWVKBIL-MLGOLLRUSA-N 1 0 347.415 3.243 20 5 EGBDRO COc1cc(C[NH2+][C@@H]2C[C@@](C)(OC)C2(C)C)c([N+](=O)[O-])cc1F ZINC000451498551 310181326 /nfs/dbraw/zinc/18/13/26/310181326.db2.gz WMXQJKQHMNCDMM-GDBMZVCRSA-N 1 0 326.368 3.036 20 5 EGBDRO COc1ccncc1C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451542865 310184298 /nfs/dbraw/zinc/18/42/98/310184298.db2.gz ALIZIXYYKCRNIE-OAHLLOKOSA-N 1 0 327.384 3.378 20 5 EGBDRO C[C@](O)(C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)C(F)(F)F ZINC000451545443 310184775 /nfs/dbraw/zinc/18/47/75/310184775.db2.gz HJSIZIDLFDBEHC-JSGCOSHPSA-N 1 0 332.322 3.088 20 5 EGBDRO O=C(C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)N1CCCCCC1 ZINC000451556903 310186372 /nfs/dbraw/zinc/18/63/72/310186372.db2.gz DUXSICYQMBBZMZ-KRWDZBQOSA-N 1 0 345.443 3.177 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]([C@@H](CO)C1CC1)C1CC1 ZINC000451607603 310188949 /nfs/dbraw/zinc/18/89/49/310188949.db2.gz MZZCOWQLNZLUMG-HKUYNNGSSA-N 1 0 348.443 3.269 20 5 EGBDRO CCO[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000452039109 310208867 /nfs/dbraw/zinc/20/88/67/310208867.db2.gz ZOMASLATEQCTIL-YSVLISHTSA-N 1 0 349.431 3.168 20 5 EGBDRO CC(C)[C@H]1[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC12CCCC2 ZINC000453039663 310253857 /nfs/dbraw/zinc/25/38/57/310253857.db2.gz OSDMJTKQGUPPHJ-CRAIPNDOSA-N 1 0 348.443 3.235 20 5 EGBDRO COc1ccc2c(c1)OC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)C2 ZINC000453217006 310264699 /nfs/dbraw/zinc/26/46/99/310264699.db2.gz RDLGZSMOZVLBQX-OAHLLOKOSA-N 1 0 328.368 3.005 20 5 EGBDRO Cc1ccc(NC(=O)NCCCCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000454144206 310294471 /nfs/dbraw/zinc/29/44/71/310294471.db2.gz JREYGBOPMUCPBF-UHFFFAOYSA-N 1 0 334.420 3.291 20 5 EGBDRO CCn1ccnc1[C@H](C)NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000454208243 310297116 /nfs/dbraw/zinc/29/71/16/310297116.db2.gz HIXBHSIHMCXZQO-VIFPVBQESA-N 1 0 337.767 3.347 20 5 EGBDRO C[C@@H]1C[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2nccn21 ZINC000454212438 310297377 /nfs/dbraw/zinc/29/73/77/310297377.db2.gz KRAHCPDVHURPAC-PRHODGIISA-N 1 0 335.751 3.272 20 5 EGBDRO Cc1ccc(C[NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)nc1C ZINC000459663104 310567219 /nfs/dbraw/zinc/56/72/19/310567219.db2.gz HYPWDEZCJBRVTA-CYBMUJFWSA-N 1 0 342.399 3.114 20 5 EGBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@H]1CCCCC12CCCC2 ZINC000463449562 310613058 /nfs/dbraw/zinc/61/30/58/310613058.db2.gz LBQOKPNEJMFQIY-YJBOKZPZSA-N 1 0 348.443 3.427 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccccc1OCCO ZINC000468637085 310691231 /nfs/dbraw/zinc/69/12/31/310691231.db2.gz GLWGFWFDZHIAMK-PTNGSMBKSA-N 1 0 342.395 3.159 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC(=O)N(C)C1CCCCC1 ZINC000468740320 310692673 /nfs/dbraw/zinc/69/26/73/310692673.db2.gz WFVBQYORYAQYMO-RVDMUPIBSA-N 1 0 345.443 3.379 20 5 EGBDRO Cc1c([C@@H](C)[NH2+]C[C@@H](CO)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000481175906 310907884 /nfs/dbraw/zinc/90/78/84/310907884.db2.gz QJWUAUGROIGQNE-WBVHZDCISA-N 1 0 328.412 3.405 20 5 EGBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)C[C@@H](C)C1 ZINC000488752901 311078285 /nfs/dbraw/zinc/07/82/85/311078285.db2.gz YRFFOFZUYFOPGR-TYILLQQXSA-N 1 0 340.427 3.310 20 5 EGBDRO COCC[C@@H](c1ccccc1)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000489019369 311089722 /nfs/dbraw/zinc/08/97/22/311089722.db2.gz WBNFNKKDAZCTFS-KRWDZBQOSA-N 1 0 344.415 3.206 20 5 EGBDRO CC(C)c1ccc(C(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000489325774 311100198 /nfs/dbraw/zinc/10/01/98/311100198.db2.gz JQRACWUCVRPMTJ-KRWDZBQOSA-N 1 0 333.432 3.130 20 5 EGBDRO Cc1ccc([C@H](C)NC(=O)NCC2([NH+](C)C)CCCC2)cc1[N+](=O)[O-] ZINC000490005572 311129311 /nfs/dbraw/zinc/12/93/11/311129311.db2.gz KTFPQHHMUMGNOM-AWEZNQCLSA-N 1 0 348.447 3.138 20 5 EGBDRO CC(C)[C@@H]1CN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000490303263 311138554 /nfs/dbraw/zinc/13/85/54/311138554.db2.gz WLASXBIXIDDIAM-KRWDZBQOSA-N 1 0 347.459 3.305 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCN(c3ccccc3F)C2)c(F)c1 ZINC000492045533 311211915 /nfs/dbraw/zinc/21/19/15/311211915.db2.gz LSGOJILNHFFYBQ-CYBMUJFWSA-N 1 0 333.338 3.242 20 5 EGBDRO CCOc1cc(CN(C)[C@H]2CC[N@H+](CC)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000492630533 311273749 /nfs/dbraw/zinc/27/37/49/311273749.db2.gz NHUUOTMPRKVRKL-ZBFHGGJFSA-N 1 0 335.448 3.298 20 5 EGBDRO CCOc1cc(CN2CCC[C@@H]2C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000492697655 311281576 /nfs/dbraw/zinc/28/15/76/311281576.db2.gz RYNMWHFGQQCIBS-MRXNPFEDSA-N 1 0 333.432 3.054 20 5 EGBDRO COc1ccc2c(c1)OC[C@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)C2 ZINC000504387619 312005113 /nfs/dbraw/zinc/00/51/13/312005113.db2.gz KOIVCYZAORAFMJ-IUODEOHRSA-N 1 0 328.368 3.258 20 5 EGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CCO)C(C)C ZINC000504895200 312012035 /nfs/dbraw/zinc/01/20/35/312012035.db2.gz RMOAMKKXYHUHQH-KBPBESRZSA-N 1 0 326.462 3.462 20 5 EGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](C1CC1)N(C)C ZINC000504911526 312012358 /nfs/dbraw/zinc/01/23/58/312012358.db2.gz HUGKBCBSOBQIRG-ZBFHGGJFSA-N 1 0 337.489 3.395 20 5 EGBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000505880839 312037600 /nfs/dbraw/zinc/03/76/00/312037600.db2.gz ZANJIEUKGULZFQ-MRXNPFEDSA-N 1 0 342.395 3.375 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000510363855 312139299 /nfs/dbraw/zinc/13/92/99/312139299.db2.gz NHNLWJNAJOHDMX-GUTXKFCHSA-N 1 0 348.447 3.391 20 5 EGBDRO C[C@@H](Nc1ccc([N+](=O)[O-])c(-c2ccccc2)n1)C1=CC[N@H+](C)CC1 ZINC000511378389 312159002 /nfs/dbraw/zinc/15/90/02/312159002.db2.gz MDPUWZKTYSTRMP-CQSZACIVSA-N 1 0 338.411 3.141 20 5 EGBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[NH+](C2CCCCC2)CC1 ZINC000514884746 312251741 /nfs/dbraw/zinc/25/17/41/312251741.db2.gz QSZBUIJCXCGDGE-UHFFFAOYSA-N 1 0 331.416 3.252 20 5 EGBDRO Cc1ccc(CC[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000514909922 312253001 /nfs/dbraw/zinc/25/30/01/312253001.db2.gz GETRZORKLWKGEC-SJORKVTESA-N 1 0 328.416 3.416 20 5 EGBDRO O=[N+]([O-])c1cccc(N2CCN(c3cc[nH+]c4ccccc43)CC2)c1 ZINC000518372748 312414391 /nfs/dbraw/zinc/41/43/91/312414391.db2.gz HIERUPWLMZGEDY-UHFFFAOYSA-N 1 0 334.379 3.470 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCC(=O)Nc1ccccn1 ZINC000530326547 313519724 /nfs/dbraw/zinc/51/97/24/313519724.db2.gz VJCBTBFNZAKNAL-SDNWHVSQSA-N 1 0 340.383 3.012 20 5 EGBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](CC2CCCCCC2)CC1 ZINC000536662330 314136670 /nfs/dbraw/zinc/13/66/70/314136670.db2.gz AOQINIHRAIGYFA-UHFFFAOYSA-N 1 0 345.443 3.323 20 5 EGBDRO COc1ccc(F)cc1[C@H](C)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000537068111 314159443 /nfs/dbraw/zinc/15/94/43/314159443.db2.gz QWFFELVPYIFGQH-LBPRGKRZSA-N 1 0 334.347 3.472 20 5 EGBDRO COc1cccc([C@H](C)[NH2+]CCOc2ccc(OC)cc2[N+](=O)[O-])c1 ZINC000538129667 314228150 /nfs/dbraw/zinc/22/81/50/314228150.db2.gz KSSDNYSBDLJWQT-ZDUSSCGKSA-N 1 0 346.383 3.342 20 5 EGBDRO CCCC[C@@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CCC1 ZINC000542524487 314554521 /nfs/dbraw/zinc/55/45/21/314554521.db2.gz DOHBBTKMCJYGBW-QGZVFWFLSA-N 1 0 345.443 3.432 20 5 EGBDRO CCC[C@H]1CCCC[C@@H]1[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000548488592 315016708 /nfs/dbraw/zinc/01/67/08/315016708.db2.gz RJJXMDDEVZRTLE-YOEHRIQHSA-N 1 0 345.443 3.432 20 5 EGBDRO COc1c(C)cnc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c1C ZINC000549172167 315079602 /nfs/dbraw/zinc/07/96/02/315079602.db2.gz RYIZASNNBGKNER-UHFFFAOYSA-N 1 0 329.400 3.290 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC(C)(C)[C@@H]2CCC[C@H]21 ZINC000550062886 315115001 /nfs/dbraw/zinc/11/50/01/315115001.db2.gz YABOMGQKSHBQNR-GDBMZVCRSA-N 1 0 331.416 3.352 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC(C)(C)[C@H]2CCC[C@@H]21 ZINC000550079881 315115238 /nfs/dbraw/zinc/11/52/38/315115238.db2.gz SQLZGGDBLPUNJE-HOCLYGCPSA-N 1 0 331.416 3.352 20 5 EGBDRO CC[C@@H]1C[N@H+](C)CCN1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000552138017 315201351 /nfs/dbraw/zinc/20/13/51/315201351.db2.gz YKEKRHCRJPQAHG-OAHLLOKOSA-N 1 0 346.456 3.244 20 5 EGBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000552399843 315218094 /nfs/dbraw/zinc/21/80/94/315218094.db2.gz RKJUVUIGBYLTMR-CQSZACIVSA-N 1 0 335.448 3.109 20 5 EGBDRO CSCc1cnc(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)s1 ZINC000559266417 315624709 /nfs/dbraw/zinc/62/47/09/315624709.db2.gz CEBQTYHOSRGMID-UHFFFAOYSA-N 1 0 339.442 3.083 20 5 EGBDRO COc1ccc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1OC ZINC000563418912 316018638 /nfs/dbraw/zinc/01/86/38/316018638.db2.gz RKOCLPWPKFFVDC-OAHLLOKOSA-N 1 0 328.368 3.389 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCOC[C@@H]1CCCO1)CCCC2 ZINC000563570008 316039974 /nfs/dbraw/zinc/03/99/74/316039974.db2.gz ZQNTZGKGXLRRIF-FUHWJXTLSA-N 1 0 334.416 3.148 20 5 EGBDRO COc1ccc(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c(C)c1 ZINC000570010578 316993832 /nfs/dbraw/zinc/99/38/32/316993832.db2.gz SHAQPICIZNTOPC-IRXDYDNUSA-N 1 0 344.415 3.382 20 5 EGBDRO Cc1ccccc1C[C@H](CO)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000570744652 317101033 /nfs/dbraw/zinc/10/10/33/317101033.db2.gz NTDIFHUYFBUITE-NVXWUHKLSA-N 1 0 328.412 3.466 20 5 EGBDRO CC(C)(C)N1CC[C@@H]([NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1=O ZINC000571560811 317216601 /nfs/dbraw/zinc/21/66/01/317216601.db2.gz HGTPIVNBYINLDF-HZPDHXFCSA-N 1 0 345.443 3.306 20 5 EGBDRO C[C@@H]([NH2+]CCNC(=O)CC1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000178652447 323359552 /nfs/dbraw/zinc/35/95/52/323359552.db2.gz GQXOWITUXPCZTM-CQSZACIVSA-N 1 0 333.432 3.332 20 5 EGBDRO C[NH+](C)C[C@H](CNc1ncccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000579482480 325116556 /nfs/dbraw/zinc/11/65/56/325116556.db2.gz UVVKYXJSHBQSML-ZDUSSCGKSA-N 1 0 334.807 3.401 20 5 EGBDRO CO[C@@H]1COC[C@H]1[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000579951315 325181399 /nfs/dbraw/zinc/18/13/99/325181399.db2.gz CKYHSJQXIZGNNN-UXIGCNINSA-N 1 0 348.424 3.388 20 5 EGBDRO C[C@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])[C@H](O)Cc1ccccc1 ZINC000583034518 325490033 /nfs/dbraw/zinc/49/00/33/325490033.db2.gz MQSMULKTRCQOCD-SOVGHPHASA-N 1 0 326.396 3.164 20 5 EGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCc1ccc2c(c1)OCO2 ZINC000583763090 325549705 /nfs/dbraw/zinc/54/97/05/325549705.db2.gz PQLMAOPCDFQYDK-HNNXBMFYSA-N 1 0 326.352 3.143 20 5 EGBDRO O=C1NCCCC[C@@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000238087775 455252618 /nfs/dbraw/zinc/25/26/18/455252618.db2.gz GDXFOUWQGFJBEG-HNNXBMFYSA-N 1 0 345.424 3.082 20 5 EGBDRO C[C@H]([NH2+]CCc1cccc(C(=O)N(C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000173443354 455283607 /nfs/dbraw/zinc/28/36/07/455283607.db2.gz QQPAIKJMCDGNSL-AWEZNQCLSA-N 1 0 341.411 3.190 20 5 EGBDRO C[C@@H]1CSCC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000190448200 455320011 /nfs/dbraw/zinc/32/00/11/455320011.db2.gz VZZFHMNUBPNZJR-ZDUSSCGKSA-N 1 0 347.440 3.477 20 5 EGBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@@H](CC1CCC1)c1ccccc1 ZINC000181357354 455322964 /nfs/dbraw/zinc/32/29/64/455322964.db2.gz WYFWIONRUVWRDU-SFHVURJKSA-N 1 0 341.411 3.278 20 5 EGBDRO Cc1ccc(C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000010018723 453273000 /nfs/dbraw/zinc/27/30/00/453273000.db2.gz FZNBRMCPRZWEQE-QGZVFWFLSA-N 1 0 345.374 3.075 20 5 EGBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H]3CCCC[C@@H]3C2)c2c(c1)COCO2 ZINC000016694698 453619171 /nfs/dbraw/zinc/61/91/71/453619171.db2.gz OWNFGBDPRXJRJZ-UONOGXRCSA-N 1 0 332.400 3.473 20 5 EGBDRO O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000029177276 453827059 /nfs/dbraw/zinc/82/70/59/453827059.db2.gz FTMMDPPGRTZJHY-GOSISDBHSA-N 1 0 339.395 3.162 20 5 EGBDRO O=C(C[N@H+](C1CC1)C1CCCCC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000052664797 453841872 /nfs/dbraw/zinc/84/18/72/453841872.db2.gz VQEALUKLJUXNOC-UHFFFAOYSA-N 1 0 343.427 3.281 20 5 EGBDRO CC(C)(C)OC(=O)NC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000052926544 453849330 /nfs/dbraw/zinc/84/93/30/453849330.db2.gz REZXDVHOMCIMTG-UHFFFAOYSA-N 1 0 349.431 3.126 20 5 EGBDRO CC[NH+]1CCC(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 ZINC000067233504 453913920 /nfs/dbraw/zinc/91/39/20/453913920.db2.gz ZLTDMYFOTBDJSF-UHFFFAOYSA-N 1 0 347.440 3.271 20 5 EGBDRO CC[NH+](CC)[C@H](CNC(=O)c1ccc([N+](=O)[O-])s1)c1ccco1 ZINC000067276579 453917283 /nfs/dbraw/zinc/91/72/83/453917283.db2.gz IWUSGJWHEFRSJA-LLVKDONJSA-N 1 0 337.401 3.062 20 5 EGBDRO Cc1ccc(NC(=O)NC[C@H](c2ccccc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000075954905 453941542 /nfs/dbraw/zinc/94/15/42/453941542.db2.gz NCUOLGLVBFQKLW-QGZVFWFLSA-N 1 0 342.399 3.328 20 5 EGBDRO O=[N+]([O-])c1ccc2oc(CN3CC[C@@H](C[NH+]4CCCCC4)C3)nc2c1 ZINC000083213550 453943227 /nfs/dbraw/zinc/94/32/27/453943227.db2.gz CPTPUOIEHWVXKD-AWEZNQCLSA-N 1 0 344.415 3.044 20 5 EGBDRO CC[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000041873529 453982852 /nfs/dbraw/zinc/98/28/52/453982852.db2.gz ZZOOKYNMRASKSE-CYBMUJFWSA-N 1 0 335.404 3.197 20 5 EGBDRO C[N@@H+]1CCCN(c2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000068045523 453990862 /nfs/dbraw/zinc/99/08/62/453990862.db2.gz KHKYVLISRSQLAA-UHFFFAOYSA-N 1 0 337.729 3.409 20 5 EGBDRO C[NH+](C)[C@@H](CNc1ccc2ncccc2c1[N+](=O)[O-])c1ccco1 ZINC000068658519 454041638 /nfs/dbraw/zinc/04/16/38/454041638.db2.gz LPWDYJYKUFJPCW-HNNXBMFYSA-N 1 0 326.356 3.451 20 5 EGBDRO Cc1ccccc1CNC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000056196466 454043604 /nfs/dbraw/zinc/04/36/04/454043604.db2.gz MEUVIGNMXDUUTG-GJZGRUSLSA-N 1 0 341.411 3.259 20 5 EGBDRO Cc1c(NC(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000043346165 454057505 /nfs/dbraw/zinc/05/75/05/454057505.db2.gz TWPLLDHTDAOPTH-QWHCGFSZSA-N 1 0 334.420 3.145 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C)CC1 ZINC000068838145 454058866 /nfs/dbraw/zinc/05/88/66/454058866.db2.gz DUKPCAJCNGHQMU-OLZOCXBDSA-N 1 0 335.404 3.052 20 5 EGBDRO CC[N@@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1Br ZINC000043596466 454069257 /nfs/dbraw/zinc/06/92/57/454069257.db2.gz BRQVSFYFESZPFQ-LLVKDONJSA-N 1 0 328.210 3.254 20 5 EGBDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000057005284 454095881 /nfs/dbraw/zinc/09/58/81/454095881.db2.gz VWNYOLZZDGDPQF-HNNXBMFYSA-N 1 0 348.447 3.049 20 5 EGBDRO C[N@H+](CCCNC(=O)c1ccc([N+](=O)[O-])s1)C1CCCCC1 ZINC000069500120 454113797 /nfs/dbraw/zinc/11/37/97/454113797.db2.gz QYNHVQZKPQUSCN-UHFFFAOYSA-N 1 0 325.434 3.041 20 5 EGBDRO O=C(CC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)Nc1cccc(F)c1 ZINC000088605759 454114608 /nfs/dbraw/zinc/11/46/08/454114608.db2.gz OLPYBTGDZYEGCP-UHFFFAOYSA-N 1 0 343.358 3.121 20 5 EGBDRO COCCOc1ccc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000089513303 454157885 /nfs/dbraw/zinc/15/78/85/454157885.db2.gz YMIFXPNNSDMFCM-CQSZACIVSA-N 1 0 330.384 3.471 20 5 EGBDRO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccc([S@@](C)=O)cc1 ZINC000089580953 454163239 /nfs/dbraw/zinc/16/32/39/454163239.db2.gz HCSMOKUQFGUNCU-OZAJXLCCSA-N 1 0 348.424 3.062 20 5 EGBDRO COCC[N@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1cccs1 ZINC000046037846 454209649 /nfs/dbraw/zinc/20/96/49/454209649.db2.gz IUMACZOLZPVIOB-UHFFFAOYSA-N 1 0 336.413 3.184 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@H+](C[C@H]3CCOC3)C3CC3)co2)cc1 ZINC000089885887 454225389 /nfs/dbraw/zinc/22/53/89/454225389.db2.gz HNTGEMRZVWTIDN-CYBMUJFWSA-N 1 0 343.383 3.251 20 5 EGBDRO Cc1c([C@@H](C)[NH2+]CCCN2C[C@@H](C)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000119917545 454235465 /nfs/dbraw/zinc/23/54/65/454235465.db2.gz DRFVMXBQJXHBTQ-IJEWVQPXSA-N 1 0 335.448 3.053 20 5 EGBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000058919403 454243664 /nfs/dbraw/zinc/24/36/64/454243664.db2.gz ZBDQRGPKXVMDEO-CYBMUJFWSA-N 1 0 349.456 3.017 20 5 EGBDRO CC[C@H](CO)[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000078409695 454248286 /nfs/dbraw/zinc/24/82/86/454248286.db2.gz NCICYWWVAYLOKA-OAHLLOKOSA-N 1 0 329.400 3.223 20 5 EGBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000078506283 454266624 /nfs/dbraw/zinc/26/66/24/454266624.db2.gz UICZRGKOWLNFFA-MRXNPFEDSA-N 1 0 326.400 3.009 20 5 EGBDRO CC[N@H+](C)Cc1cccc(CNC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000060060365 454267158 /nfs/dbraw/zinc/26/71/58/454267158.db2.gz VINAIEYFQYJAKJ-UHFFFAOYSA-N 1 0 341.411 3.285 20 5 EGBDRO COc1ccc(NC(=O)C[N@H+](C)[C@@H]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000078529092 454270131 /nfs/dbraw/zinc/27/01/31/454270131.db2.gz NOZQAGBZMBJIOP-QWHCGFSZSA-N 1 0 335.404 3.052 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCCOC1CCOCC1)C1CC1 ZINC000090082764 454274263 /nfs/dbraw/zinc/27/42/63/454274263.db2.gz HPOQFRRYTCVSJB-SFHVURJKSA-N 1 0 348.443 3.091 20 5 EGBDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000046756498 454281435 /nfs/dbraw/zinc/28/14/35/454281435.db2.gz ZHJSVYCXFOLPGN-UHFFFAOYSA-N 1 0 341.411 3.365 20 5 EGBDRO Cc1cnc(N2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000078667284 454294628 /nfs/dbraw/zinc/29/46/28/454294628.db2.gz QUJNFEPUIHXFJR-INIZCTEOSA-N 1 0 340.427 3.399 20 5 EGBDRO Cc1ccnc(N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000078689439 454300400 /nfs/dbraw/zinc/30/04/00/454300400.db2.gz WNOSBEDYMSGASU-INIZCTEOSA-N 1 0 340.427 3.399 20 5 EGBDRO Cc1cccc(C(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000047214231 454340999 /nfs/dbraw/zinc/34/09/99/454340999.db2.gz GPXOCGKDSJHWIS-GASCZTMLSA-N 1 0 347.459 3.391 20 5 EGBDRO Cc1c([C@H](C)[NH2+][C@H]2CCN(c3ccccn3)C2)cccc1[N+](=O)[O-] ZINC000090801580 454341979 /nfs/dbraw/zinc/34/19/79/454341979.db2.gz NTUFUASFEQEMFR-GJZGRUSLSA-N 1 0 326.400 3.228 20 5 EGBDRO CC[C@]1(C)CCC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000072802746 454342715 /nfs/dbraw/zinc/34/27/15/454342715.db2.gz FKFDIIYSMSIGKT-GOSISDBHSA-N 1 0 347.415 3.405 20 5 EGBDRO C[C@H]1CC[C@H](C)[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000072897203 454360601 /nfs/dbraw/zinc/36/06/01/454360601.db2.gz DSWJCOCTNAKBQJ-STQMWFEESA-N 1 0 333.388 3.013 20 5 EGBDRO CC[C@@H](CSC)[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000091099134 454385066 /nfs/dbraw/zinc/38/50/66/454385066.db2.gz ZDZMDMFAPQWRHR-ZDUSSCGKSA-N 1 0 339.461 3.305 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H]1CCCC1(C)C ZINC000097105558 454408152 /nfs/dbraw/zinc/40/81/52/454408152.db2.gz BBOOETYAHNXYAT-XHDPSFHLSA-N 1 0 335.404 3.099 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000097145767 454417336 /nfs/dbraw/zinc/41/73/36/454417336.db2.gz SYWSMZRROFKDSP-GDBMZVCRSA-N 1 0 346.431 3.160 20 5 EGBDRO Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H]2c2ccc[nH]2)cccc1[N+](=O)[O-] ZINC000063507406 454420430 /nfs/dbraw/zinc/42/04/30/454420430.db2.gz KOLWUHPJNBYHIL-QGZVFWFLSA-N 1 0 342.399 3.397 20 5 EGBDRO NC(=O)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000133458343 454427559 /nfs/dbraw/zinc/42/75/59/454427559.db2.gz DCFWHTILLAAXSZ-IAGOWNOFSA-N 1 0 339.395 3.120 20 5 EGBDRO CC(C)[N@H+](Cc1ccc(C(N)=O)cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350174 454475560 /nfs/dbraw/zinc/47/55/60/454475560.db2.gz AHUIQRNWXFMCTC-UHFFFAOYSA-N 1 0 327.384 3.104 20 5 EGBDRO COC(=O)[C@H](C)C[N@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000091985996 454500446 /nfs/dbraw/zinc/50/04/46/454500446.db2.gz DSGTYPCSCNIBDC-GFCCVEGCSA-N 1 0 332.356 3.096 20 5 EGBDRO CC(C)C[N@@H+]1Cc2cccc(NC(=O)c3ccc([N+](=O)[O-])o3)c2C1 ZINC000092407205 454562572 /nfs/dbraw/zinc/56/25/72/454562572.db2.gz IQUNJESVUDZPEW-UHFFFAOYSA-N 1 0 329.356 3.412 20 5 EGBDRO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000051050850 454606849 /nfs/dbraw/zinc/60/68/49/454606849.db2.gz NPECKJWZBVVWIM-RDJZCZTQSA-N 1 0 347.459 3.154 20 5 EGBDRO COc1ccc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1[N+](=O)[O-] ZINC000134903527 454607173 /nfs/dbraw/zinc/60/71/73/454607173.db2.gz PTBNGIWJAGJKDN-NVXWUHKLSA-N 1 0 345.443 3.052 20 5 EGBDRO CC[C@@H]1C[C@@H](C)C[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000080747818 454627724 /nfs/dbraw/zinc/62/77/24/454627724.db2.gz ANIOOWDWZHRZOP-CHWSQXEVSA-N 1 0 335.404 3.052 20 5 EGBDRO Cc1c(C[N@H+](C)C[C@@H]2COc3ccccc3O2)cccc1[N+](=O)[O-] ZINC000051505624 454628082 /nfs/dbraw/zinc/62/80/82/454628082.db2.gz ADNNZOHQKJPQTA-OAHLLOKOSA-N 1 0 328.368 3.175 20 5 EGBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000123357487 454629621 /nfs/dbraw/zinc/62/96/21/454629621.db2.gz OFEOUUCNOYUBFY-HOCLYGCPSA-N 1 0 339.395 3.411 20 5 EGBDRO Cc1cc(N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)ncc1[N+](=O)[O-] ZINC000074768865 454632809 /nfs/dbraw/zinc/63/28/09/454632809.db2.gz JAJFZJQOIFBCFV-MRXNPFEDSA-N 1 0 340.427 3.399 20 5 EGBDRO O=C(NC1CCCCC1)C1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000065965233 454646164 /nfs/dbraw/zinc/64/61/64/454646164.db2.gz JDWRZRUPEFRZKR-UHFFFAOYSA-N 1 0 345.443 3.256 20 5 EGBDRO C[N@H+](CCc1ccccc1)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000051999194 454646481 /nfs/dbraw/zinc/64/64/81/454646481.db2.gz OTJCSNLZPWPWIP-UHFFFAOYSA-N 1 0 338.367 3.319 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)Cc1cccc(O)c1 ZINC000080937251 454650307 /nfs/dbraw/zinc/65/03/07/454650307.db2.gz RKBFJUYFMVQPNJ-UHFFFAOYSA-N 1 0 343.383 3.069 20 5 EGBDRO CC(C)n1cc([C@@H](C)[NH2+]CCCOc2ccc([N+](=O)[O-])cc2)cn1 ZINC000612517454 460646427 /nfs/dbraw/zinc/64/64/27/460646427.db2.gz APPQWEOYYZWWQY-CQSZACIVSA-N 1 0 332.404 3.492 20 5 EGBDRO CC(=O)c1ccc(N2CCC([NH+]3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000052428321 454672522 /nfs/dbraw/zinc/67/25/22/454672522.db2.gz JTOKCPUMRUTCOT-UHFFFAOYSA-N 1 0 331.416 3.252 20 5 EGBDRO COc1ccc(-c2ccc(C[N@H+](C)CC(C)(C)O)o2)c([N+](=O)[O-])c1 ZINC000093414585 454713762 /nfs/dbraw/zinc/71/37/62/454713762.db2.gz NZWRKKGHGJMVFB-UHFFFAOYSA-N 1 0 334.372 3.066 20 5 EGBDRO C[N@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)CC1(O)CCCC1 ZINC000093502980 454720041 /nfs/dbraw/zinc/72/00/41/454720041.db2.gz JHXAVHSWVVJMNW-UHFFFAOYSA-N 1 0 347.440 3.455 20 5 EGBDRO Cc1ccc([C@H](C)NC(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000176575124 454760794 /nfs/dbraw/zinc/76/07/94/454760794.db2.gz VJGJCOYHXUILLY-IMJJTQAJSA-N 1 0 348.447 3.136 20 5 EGBDRO COc1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)c([N+](=O)[O-])cc1OC(F)F ZINC000153174694 454767020 /nfs/dbraw/zinc/76/70/20/454767020.db2.gz DDBFMVOTQGFEOV-PHIMTYICSA-N 1 0 342.342 3.437 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000162471697 454777886 /nfs/dbraw/zinc/77/78/86/454777886.db2.gz MOLARRSVJLJTSM-KRWDZBQOSA-N 1 0 342.399 3.328 20 5 EGBDRO C[C@@H](CCNC(=O)c1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCCCC1 ZINC000182251942 455473028 /nfs/dbraw/zinc/47/30/28/455473028.db2.gz TYQLVAPSJDTIJV-LBPRGKRZSA-N 1 0 339.823 3.243 20 5 EGBDRO COc1ccc2cc(C[N@H+](C)CCn3cc([N+](=O)[O-])cn3)ccc2c1 ZINC000266910056 455473796 /nfs/dbraw/zinc/47/37/96/455473796.db2.gz LEHWBAXKPUBSGU-UHFFFAOYSA-N 1 0 340.383 3.085 20 5 EGBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000139422085 454806528 /nfs/dbraw/zinc/80/65/28/454806528.db2.gz VCNQWPGMGJELPQ-GFCCVEGCSA-N 1 0 339.823 3.052 20 5 EGBDRO Cc1cc(C)c(OC[C@H](O)C[N@@H+](C)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000153651523 454817493 /nfs/dbraw/zinc/81/74/93/454817493.db2.gz SSBHHFUPLXTFIJ-QGZVFWFLSA-N 1 0 344.411 3.083 20 5 EGBDRO O=C(NC1CC[NH+](C2CCCCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000177235619 454840195 /nfs/dbraw/zinc/84/01/95/454840195.db2.gz QIZQUVXJUQIJEM-UHFFFAOYSA-N 1 0 331.416 3.122 20 5 EGBDRO COc1ccc(C(=O)Nc2cc(C[NH+](C)C)ccc2C)cc1[N+](=O)[O-] ZINC000177330824 454852397 /nfs/dbraw/zinc/85/23/97/454852397.db2.gz BFUZTDOZXSGGDD-UHFFFAOYSA-N 1 0 343.383 3.226 20 5 EGBDRO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1ccc(N(C)C)nc1 ZINC000154467038 454899457 /nfs/dbraw/zinc/89/94/57/454899457.db2.gz QHPHVXRABWMAKV-UHFFFAOYSA-N 1 0 328.416 3.466 20 5 EGBDRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)C2CCCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000151062051 454932171 /nfs/dbraw/zinc/93/21/71/454932171.db2.gz DMBWARSISKHDJT-RHSMWYFYSA-N 1 0 345.443 3.427 20 5 EGBDRO C[C@@H]([NH2+]C[C@@H](Cc1ccccc1)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000154970563 454949890 /nfs/dbraw/zinc/94/98/90/454949890.db2.gz IYUZAGCLWXHIJI-DNVCBOLYSA-N 1 0 327.428 3.418 20 5 EGBDRO Cc1c([C@H](C)[NH2+]Cc2ccc(-n3cncn3)cc2)cccc1[N+](=O)[O-] ZINC000178742668 454972234 /nfs/dbraw/zinc/97/22/34/454972234.db2.gz KMGADYRTYBBXQB-AWEZNQCLSA-N 1 0 337.383 3.335 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@H](C)c1ccccn1 ZINC000127914639 455009353 /nfs/dbraw/zinc/00/93/53/455009353.db2.gz JBIRVKLFPNAVDC-CQSZACIVSA-N 1 0 342.399 3.320 20 5 EGBDRO CC(C)C[C@@](C)(C[NH3+])NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000179228377 455022646 /nfs/dbraw/zinc/02/26/46/455022646.db2.gz CALOKZDZLBUYBJ-INIZCTEOSA-N 1 0 335.429 3.303 20 5 EGBDRO COc1cc(CN2CCCCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000156361919 455108877 /nfs/dbraw/zinc/10/88/77/455108877.db2.gz MIGVFCSTRIWFPY-UHFFFAOYSA-N 1 0 330.331 3.233 20 5 EGBDRO C[C@@H]1C[C@@H]1c1ccc(C[N@H+](CCn2cc([N+](=O)[O-])cn2)C2CC2)o1 ZINC000157663071 455218303 /nfs/dbraw/zinc/21/83/03/455218303.db2.gz MRCRAPJJXWAZSB-WBMJQRKESA-N 1 0 330.388 3.172 20 5 EGBDRO C[C@H]1C[C@H]1c1ccc(C[N@H+](CCn2cc([N+](=O)[O-])cn2)C2CC2)o1 ZINC000157663461 455218685 /nfs/dbraw/zinc/21/86/85/455218685.db2.gz MRCRAPJJXWAZSB-BLLLJJGKSA-N 1 0 330.388 3.172 20 5 EGBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2C[C@@H](C)N(C3CC3)C2)cc1[N+](=O)[O-] ZINC000245503493 455316234 /nfs/dbraw/zinc/31/62/34/455316234.db2.gz IDYUZBQOMZKJQI-IPYPFGDCSA-N 1 0 333.432 3.269 20 5 EGBDRO CCc1ccc(C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000174177660 455367723 /nfs/dbraw/zinc/36/77/23/455367723.db2.gz IYEBIUHXZTUJHY-QGZVFWFLSA-N 1 0 345.443 3.248 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)N(C2CC2)C2CCCC2)cc1[N+](=O)[O-] ZINC000181841944 455387802 /nfs/dbraw/zinc/38/78/02/455387802.db2.gz OFIBPGNKQPXBRK-AWEZNQCLSA-N 1 0 345.443 3.487 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCO[C@@]3(CCc4ccccc43)C2)cc1 ZINC000159602492 455388521 /nfs/dbraw/zinc/38/85/21/455388521.db2.gz VHAQLFNFRXXXBB-FQEVSTJZSA-N 1 0 338.407 3.311 20 5 EGBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H](c2ccccc2)c2ccc(F)cc2)c1 ZINC000174855588 455416721 /nfs/dbraw/zinc/41/67/21/455416721.db2.gz CVUVVXASZBFZLR-SFHVURJKSA-N 1 0 340.358 3.310 20 5 EGBDRO C[C@@H]1CC(O)C[C@@H](C)[NH+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000191193949 455461964 /nfs/dbraw/zinc/46/19/64/455461964.db2.gz VJYIEKUUBUHMBH-CHWSQXEVSA-N 1 0 345.399 3.026 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H](C)CC1(C)C ZINC000266921378 455475177 /nfs/dbraw/zinc/47/51/77/455475177.db2.gz IQEZSYUMNLVUMH-LBPRGKRZSA-N 1 0 335.404 3.052 20 5 EGBDRO Cc1ccc(NC2CC[NH+](Cc3ccccn3)CC2)c([N+](=O)[O-])c1 ZINC000266977627 455486465 /nfs/dbraw/zinc/48/64/65/455486465.db2.gz OMIJCFUQYAJPLO-UHFFFAOYSA-N 1 0 326.400 3.375 20 5 EGBDRO Cc1ccc(C[C@H](CO)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000191582158 455499689 /nfs/dbraw/zinc/49/96/89/455499689.db2.gz ZPKBXSBATZCMPT-CRAIPNDOSA-N 1 0 328.412 3.466 20 5 EGBDRO CC(C)NC(=O)c1ccc(N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000267277644 455529493 /nfs/dbraw/zinc/52/94/93/455529493.db2.gz ODOKGTHRCUGCEQ-HUUCEWRRSA-N 1 0 348.447 3.018 20 5 EGBDRO O=[N+]([O-])c1ccccc1OCC[NH2+][C@@H]1CCO[C@H]1c1ccccc1 ZINC000191962349 455535624 /nfs/dbraw/zinc/53/56/24/455535624.db2.gz YKJZPSIKMPIZBU-QAPCUYQASA-N 1 0 328.368 3.093 20 5 EGBDRO O=[N+]([O-])c1ccn(CC[NH2+]C2(Cc3ccccc3)CCCCC2)n1 ZINC000185458607 455559941 /nfs/dbraw/zinc/55/99/41/455559941.db2.gz ZYVMSEJVYKYGPX-UHFFFAOYSA-N 1 0 328.416 3.327 20 5 EGBDRO C[C@]1(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCCC[C@H]1O ZINC000247203063 455572671 /nfs/dbraw/zinc/57/26/71/455572671.db2.gz VEYCSWKXFKPZOD-BHIYHBOVSA-N 1 0 332.444 3.447 20 5 EGBDRO C[C@@H]1C[C@@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCO1 ZINC000271321054 455597055 /nfs/dbraw/zinc/59/70/55/455597055.db2.gz YFSPLFPFVGPUST-YPMHNXCESA-N 1 0 333.413 3.375 20 5 EGBDRO C[N@@H+]1CC[C@@]2(CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2)C1 ZINC000292254785 455609478 /nfs/dbraw/zinc/60/94/78/455609478.db2.gz KILMWBNUHGNXBS-CQSZACIVSA-N 1 0 329.322 3.146 20 5 EGBDRO C[C@@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283928010 455611929 /nfs/dbraw/zinc/61/19/29/455611929.db2.gz DXCLDLQHCPITFV-HWPZZCPQSA-N 1 0 335.791 3.215 20 5 EGBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)c1F ZINC000284111108 455638266 /nfs/dbraw/zinc/63/82/66/455638266.db2.gz WUXBABWIWFCQCW-AWEZNQCLSA-N 1 0 349.406 3.133 20 5 EGBDRO CCn1nc(C)c([N+](=O)[O-])c1NC1CC[NH+](CC2CCCC2)CC1 ZINC000192542158 455639243 /nfs/dbraw/zinc/63/92/43/455639243.db2.gz KVTJMSJXEXMCJU-UHFFFAOYSA-N 1 0 335.452 3.186 20 5 EGBDRO COc1ccc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)cc1[N+](=O)[O-] ZINC000268285144 455640462 /nfs/dbraw/zinc/64/04/62/455640462.db2.gz QMFCHQABOKEVQY-GDBMZVCRSA-N 1 0 346.383 3.285 20 5 EGBDRO C[C@H](NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000271488580 455656689 /nfs/dbraw/zinc/65/66/89/455656689.db2.gz KBYKQOOFDKNBNA-GDIGMMSISA-N 1 0 347.459 3.013 20 5 EGBDRO C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000185939880 455657155 /nfs/dbraw/zinc/65/71/55/455657155.db2.gz QKUVTSZSLCSBCJ-GUYCJALGSA-N 1 0 342.399 3.408 20 5 EGBDRO C[C@@H]1CN(CCC[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C[C@H](C)O1 ZINC000192627779 455657333 /nfs/dbraw/zinc/65/73/33/455657333.db2.gz UTVDLZZZBFDSMV-ZRGWGRIASA-N 1 0 347.459 3.061 20 5 EGBDRO CC[C@H](NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000271493895 455658904 /nfs/dbraw/zinc/65/89/04/455658904.db2.gz KVZHCZTXESYTSQ-IPMKNSEASA-N 1 0 347.459 3.013 20 5 EGBDRO C[N@@H+]1CC[C@@]2(CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)C2)C1 ZINC000292449056 455665700 /nfs/dbraw/zinc/66/57/00/455665700.db2.gz YYOLPLYNUMEEKH-CQSZACIVSA-N 1 0 329.322 3.146 20 5 EGBDRO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000277814173 455675002 /nfs/dbraw/zinc/67/50/02/455675002.db2.gz KRXGQSUVMDOBBH-CZUORRHYSA-N 1 0 349.431 3.330 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCCOC[C@H]1CCOC1)CCC2 ZINC000192889370 455712505 /nfs/dbraw/zinc/71/25/05/455712505.db2.gz DLPTXWGQDYBTNE-RDTXWAMCSA-N 1 0 334.416 3.005 20 5 EGBDRO C[N@@H+]1CCC[C@@H]2CN(c3ccc4cc([N+](=O)[O-])ccc4n3)CC[C@H]21 ZINC000268807365 455714269 /nfs/dbraw/zinc/71/42/69/455714269.db2.gz GACHPUKPAUQXHJ-RHSMWYFYSA-N 1 0 326.400 3.064 20 5 EGBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)C2)C1 ZINC000292676927 455728663 /nfs/dbraw/zinc/72/86/63/455728663.db2.gz ZZNKSMPBDJIZSQ-IBGZPJMESA-N 1 0 345.443 3.060 20 5 EGBDRO C[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H]1CCCC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000249774531 455775362 /nfs/dbraw/zinc/77/53/62/455775362.db2.gz VKNKBQQGFQUPOV-QDEZUTFSSA-N 1 0 333.432 3.329 20 5 EGBDRO O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)[C@H]1CCC[NH2+]C1 ZINC000269068532 455781429 /nfs/dbraw/zinc/78/14/29/455781429.db2.gz QPTJGGQHCJAIDB-ZDUSSCGKSA-N 1 0 341.367 3.325 20 5 EGBDRO [NH3+][C@@H]1CC[C@@H](C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000269220191 455814038 /nfs/dbraw/zinc/81/40/38/455814038.db2.gz NCFDDCMFQLUGRX-CHWSQXEVSA-N 1 0 341.367 3.453 20 5 EGBDRO CCc1ccc(C(=O)Nc2ccc3c(c2)C[NH2+]CC3)cc1[N+](=O)[O-] ZINC000269226026 455816014 /nfs/dbraw/zinc/81/60/14/455816014.db2.gz UBAFQLCULVFABM-UHFFFAOYSA-N 1 0 325.368 3.055 20 5 EGBDRO Cc1cc2ncc([C@H](C)[NH2+]CCc3ccc([N+](=O)[O-])cc3)c(C)n2n1 ZINC000194415246 455839052 /nfs/dbraw/zinc/83/90/52/455839052.db2.gz UPIDJEDCRAOVBH-ZDUSSCGKSA-N 1 0 339.399 3.148 20 5 EGBDRO CC[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000285517300 455862934 /nfs/dbraw/zinc/86/29/34/455862934.db2.gz BNWBBJBOPKWBDG-ZMSDIMECSA-N 1 0 333.432 3.329 20 5 EGBDRO Nc1ccc(NC[C@H](c2ccco2)[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000285557775 455870243 /nfs/dbraw/zinc/87/02/43/455870243.db2.gz IZOWEOOBEDMVMI-MRXNPFEDSA-N 1 0 330.388 3.409 20 5 EGBDRO O=C1CCCCN1C1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255615415 455870746 /nfs/dbraw/zinc/87/07/46/455870746.db2.gz DFQFUCRZHIQVCC-ALCCZGGFSA-N 1 0 343.427 3.085 20 5 EGBDRO COc1cc2c(cc1OC)[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)CC2 ZINC000280052507 455883002 /nfs/dbraw/zinc/88/30/02/455883002.db2.gz JSMWVFMGWMKRTA-QGZVFWFLSA-N 1 0 342.395 3.432 20 5 EGBDRO Cc1cc(C(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000187251310 455887230 /nfs/dbraw/zinc/88/72/30/455887230.db2.gz GPBSARQUYKPDHM-KSSFIOAISA-N 1 0 341.411 3.324 20 5 EGBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000272241085 455889249 /nfs/dbraw/zinc/88/92/49/455889249.db2.gz XLJHCJUYLGBRPW-LBPRGKRZSA-N 1 0 345.399 3.143 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000194934794 455902360 /nfs/dbraw/zinc/90/23/60/455902360.db2.gz HXQVXMBGHWSNMX-HNNXBMFYSA-N 1 0 333.432 3.001 20 5 EGBDRO CC(=O)N1CCC[C@H](CNc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)C1 ZINC000280183284 455911014 /nfs/dbraw/zinc/91/10/14/455911014.db2.gz FCGMBGIJZDEHPG-CQSZACIVSA-N 1 0 342.399 3.122 20 5 EGBDRO CN(CC[N@H+](C)C1CCCCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000195225331 455934281 /nfs/dbraw/zinc/93/42/81/455934281.db2.gz CVGSYCZSOJLOBI-UHFFFAOYSA-N 1 0 334.420 3.323 20 5 EGBDRO [NH3+][C@@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000261764281 455943875 /nfs/dbraw/zinc/94/38/75/455943875.db2.gz OHQDCBSTHDOJOY-JKSUJKDBSA-N 1 0 331.803 3.175 20 5 EGBDRO Cc1cc(C[NH+](C)C)cc(NC(=O)Cc2cccc([N+](=O)[O-])c2)c1 ZINC000270403205 455947642 /nfs/dbraw/zinc/94/76/42/455947642.db2.gz WSDFUHOKAPTLEG-UHFFFAOYSA-N 1 0 327.384 3.146 20 5 EGBDRO O=[N+]([O-])c1ccc(CN2CC[NH2+]C[C@H]2c2cccc(F)c2)c(F)c1 ZINC000261861084 455959952 /nfs/dbraw/zinc/95/99/52/455959952.db2.gz WHRLEZXBNHMLGH-KRWDZBQOSA-N 1 0 333.338 3.020 20 5 EGBDRO C[NH+]1CCC(C)(CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000272468493 455961038 /nfs/dbraw/zinc/96/10/38/455961038.db2.gz MTGLJKMIPSQEBQ-UHFFFAOYSA-N 1 0 329.347 3.340 20 5 EGBDRO C[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)N(C)C1CCCCC1 ZINC000296674768 456007061 /nfs/dbraw/zinc/00/70/61/456007061.db2.gz HJKPQXQVHRBNKQ-KBPBESRZSA-N 1 0 333.432 3.425 20 5 EGBDRO O=[N+]([O-])c1ccccc1CN1CC[NH2+]C[C@H]1c1ccccc1Cl ZINC000262298485 456021948 /nfs/dbraw/zinc/02/19/48/456021948.db2.gz XCBUWNBMDWARFH-KRWDZBQOSA-N 1 0 331.803 3.395 20 5 EGBDRO Cc1ccnc(NC[C@H]2CC[N@H+](CCc3ccccc3)C2)c1[N+](=O)[O-] ZINC000301310623 456087391 /nfs/dbraw/zinc/08/73/91/456087391.db2.gz ZZHAUTRZCDWRMQ-QGZVFWFLSA-N 1 0 340.427 3.275 20 5 EGBDRO COc1cccc([C@@H](CNc2ncc(C)cc2[N+](=O)[O-])[NH+](C)C)c1 ZINC000301350039 456095759 /nfs/dbraw/zinc/09/57/59/456095759.db2.gz JOAHZLYZSBGDOZ-MRXNPFEDSA-N 1 0 330.388 3.022 20 5 EGBDRO CC[N@@H+]1CCCC[C@H]1CNc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000301509175 456133007 /nfs/dbraw/zinc/13/30/07/456133007.db2.gz ATCWHKHNEXZWLI-LBPRGKRZSA-N 1 0 329.347 3.483 20 5 EGBDRO Cc1c(C[N@@H+]2CC[C@H](OCc3ccncc3)C2)cccc1[N+](=O)[O-] ZINC000281112646 456137011 /nfs/dbraw/zinc/13/70/11/456137011.db2.gz WWDYOACKPJZCRK-KRWDZBQOSA-N 1 0 327.384 3.089 20 5 EGBDRO CN(C(=O)[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1ccccc1 ZINC000281157211 456149231 /nfs/dbraw/zinc/14/92/31/456149231.db2.gz POIIKRYEOQGQRJ-INIZCTEOSA-N 1 0 339.395 3.080 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000297278240 456170991 /nfs/dbraw/zinc/17/09/91/456170991.db2.gz DWZAONOBBLALSS-GOSISDBHSA-N 1 0 346.431 3.107 20 5 EGBDRO CC(C)c1ccc([C@@H]([NH3+])CNC(=O)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000236733976 456176685 /nfs/dbraw/zinc/17/66/85/456176685.db2.gz WHNMVTCUUJWUFN-KRWDZBQOSA-N 1 0 345.374 3.287 20 5 EGBDRO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000281317952 456200486 /nfs/dbraw/zinc/20/04/86/456200486.db2.gz RATNBJKPZFJSRH-VFAJRCTISA-N 1 0 336.407 3.495 20 5 EGBDRO Cc1nc(N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000297398282 456209171 /nfs/dbraw/zinc/20/91/71/456209171.db2.gz FORAFIOWLFHJNR-XJKSGUPXSA-N 1 0 341.415 3.158 20 5 EGBDRO COc1ccc(CNC[C@]2([NH+](C)C)CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000237205731 456246847 /nfs/dbraw/zinc/24/68/47/456246847.db2.gz KLQULXDCTFFTGN-KDOFPFPSSA-N 1 0 335.448 3.204 20 5 EGBDRO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H]2C2CCC2)c([N+](=O)[O-])c1 ZINC000297723799 456280604 /nfs/dbraw/zinc/28/06/04/456280604.db2.gz BOBCVKXSFUYPLR-MRXNPFEDSA-N 1 0 347.415 3.197 20 5 EGBDRO Cc1ccc(C(=O)Nc2ccccc2CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000275790982 456314764 /nfs/dbraw/zinc/31/47/64/456314764.db2.gz HKPMLRBDFNPQQD-UHFFFAOYSA-N 1 0 327.384 3.260 20 5 EGBDRO C[C@H]1CSC[C@H]1[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000352819137 456334530 /nfs/dbraw/zinc/33/45/30/456334530.db2.gz XDBXRWDRNKKOEE-SMDDNHRTSA-N 1 0 333.413 3.133 20 5 EGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1COc2ccccc2[C@H]1O ZINC000290476406 456338915 /nfs/dbraw/zinc/33/89/15/456338915.db2.gz XEYILAYXTJDTRC-VVFCZOMOSA-N 1 0 342.395 3.000 20 5 EGBDRO Cc1c([C@H](C)[NH2+][C@H]2COc3ccccc3[C@@H]2O)cccc1[N+](=O)[O-] ZINC000290531518 456355562 /nfs/dbraw/zinc/35/55/62/456355562.db2.gz ZKLUIWONDVMILQ-QITLCBANSA-N 1 0 328.368 3.048 20 5 EGBDRO C[C@@H](CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)[N@@H+]1CCCC[C@H]1C ZINC000343068188 456385303 /nfs/dbraw/zinc/38/53/03/456385303.db2.gz QUSGQHXIIDOIQX-OLZOCXBDSA-N 1 0 344.415 3.069 20 5 EGBDRO C[C@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC000343073747 456386974 /nfs/dbraw/zinc/38/69/74/456386974.db2.gz COIUYMZYKBZORH-VXGBXAGGSA-N 1 0 339.823 3.241 20 5 EGBDRO Cc1cc(C[NH+](C)C)cc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)c1 ZINC000340334548 456396518 /nfs/dbraw/zinc/39/65/18/456396518.db2.gz QEXSYQGVKGOGSW-UHFFFAOYSA-N 1 0 331.347 3.356 20 5 EGBDRO C[C@@H]1CCC[N@H+](CCCCNc2c3c(ccc2[N+](=O)[O-])NCC3)C1 ZINC000302863438 456420671 /nfs/dbraw/zinc/42/06/71/456420671.db2.gz WSZXGSSNLHDSBI-CQSZACIVSA-N 1 0 332.448 3.487 20 5 EGBDRO CCC1CCC([N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C2CC2)CC1 ZINC000337677214 456476342 /nfs/dbraw/zinc/47/63/42/456476342.db2.gz SOXQZRMWVLVHNQ-UHFFFAOYSA-N 1 0 333.432 3.190 20 5 EGBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H](O)c1ccc(F)cc1F ZINC000282442037 456515842 /nfs/dbraw/zinc/51/58/42/456515842.db2.gz LBGWKUBMBFHHAS-QGZVFWFLSA-N 1 0 336.338 3.081 20 5 EGBDRO COc1cc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc(OC)c1O ZINC000298717247 456523724 /nfs/dbraw/zinc/52/37/24/456523724.db2.gz YTWFVJHGSUHRBT-NSHDSACASA-N 1 0 332.356 3.168 20 5 EGBDRO C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc2n[nH]cc2c1 ZINC000353165963 456534492 /nfs/dbraw/zinc/53/44/92/456534492.db2.gz BUOWWGUPHRJAKW-SNVBAGLBSA-N 1 0 336.355 3.198 20 5 EGBDRO CCCN(CC[NH+]1CCCCC1)c1nc2sccn2c1[N+](=O)[O-] ZINC000343338852 456541084 /nfs/dbraw/zinc/54/10/84/456541084.db2.gz CDQRAAPHQZDBBW-UHFFFAOYSA-N 1 0 337.449 3.006 20 5 EGBDRO CCO[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000353183141 456545671 /nfs/dbraw/zinc/54/56/71/456545671.db2.gz HCSCDCMTXZGDEO-YJBOKZPZSA-N 1 0 346.383 3.138 20 5 EGBDRO C[C@H](Cn1cccn1)[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000282647335 456580389 /nfs/dbraw/zinc/58/03/89/456580389.db2.gz QGILYNRXGBONQY-HLLBOEOZSA-N 1 0 328.416 3.181 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCOC(F)(F)F)o1 ZINC000353242619 456582481 /nfs/dbraw/zinc/58/24/81/456582481.db2.gz ZTTGZHGZRDEMPF-UHFFFAOYSA-N 1 0 330.262 3.481 20 5 EGBDRO CC(C)n1nccc1[C@H]1OCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000343389679 456583591 /nfs/dbraw/zinc/58/35/91/456583591.db2.gz LKUWDIOVROSHQX-WBVHZDCISA-N 1 0 348.378 3.131 20 5 EGBDRO CCOc1cc(CN2CC[C@@H]([NH+]3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000276904049 456614919 /nfs/dbraw/zinc/61/49/19/456614919.db2.gz MCTLSEANRJXOFQ-MRXNPFEDSA-N 1 0 333.432 3.054 20 5 EGBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000299259376 456644631 /nfs/dbraw/zinc/64/46/31/456644631.db2.gz SKXYOWHHLOZMMC-NEPJUHHUSA-N 1 0 339.823 3.098 20 5 EGBDRO C[C@@H](C[NH+]1CCCCC1)Nc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000323682886 456656313 /nfs/dbraw/zinc/65/63/13/456656313.db2.gz HPIHVHKYBGYPGH-JTQLQIEISA-N 1 0 332.326 3.295 20 5 EGBDRO C[C@@H]([NH2+][C@@H](C)c1ccc2[nH]c(=O)[nH]c2c1)c1cccc([N+](=O)[O-])c1 ZINC000324602080 456670135 /nfs/dbraw/zinc/67/01/35/456670135.db2.gz HZPZCMPJGWEKKI-MNOVXSKESA-N 1 0 326.356 3.176 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H](C)CC1(C)C ZINC000299372563 456673024 /nfs/dbraw/zinc/67/30/24/456673024.db2.gz RZMDFYXONFMLOV-LBPRGKRZSA-N 1 0 335.404 3.052 20 5 EGBDRO CCCCCC(=O)NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000299544106 456723858 /nfs/dbraw/zinc/72/38/58/456723858.db2.gz JYYUHTWQPKLORF-UHFFFAOYSA-N 1 0 333.432 3.256 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](C[C@H]3CCCC(F)(F)C3)C2)nc1 ZINC000338272458 456742879 /nfs/dbraw/zinc/74/28/79/456742879.db2.gz CNBLGSIVYRMYNE-STQMWFEESA-N 1 0 340.374 3.302 20 5 EGBDRO CCN(Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000353554029 456756188 /nfs/dbraw/zinc/75/61/88/456756188.db2.gz HPANNLGVVWEDMT-GOSISDBHSA-N 1 0 339.395 3.222 20 5 EGBDRO CC1(C)CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@H]1c1cccnc1 ZINC000291834405 456772864 /nfs/dbraw/zinc/77/28/64/456772864.db2.gz DHXSEXQSKLRZNL-SJORKVTESA-N 1 0 327.384 3.106 20 5 EGBDRO CC1CCC([NH+]2CCN(c3ncc([N+](=O)[O-])cc3Cl)CC2)CC1 ZINC000301253352 456835671 /nfs/dbraw/zinc/83/56/71/456835671.db2.gz CGMKFGQGSMRVKL-UHFFFAOYSA-N 1 0 338.839 3.344 20 5 EGBDRO COc1ccccc1[C@H](CNc1ccc([N+](=O)[O-])c(N)c1F)[NH+](C)C ZINC000348740426 456835810 /nfs/dbraw/zinc/83/58/10/456835810.db2.gz FGUUGOJXWVKZHG-AWEZNQCLSA-N 1 0 348.378 3.040 20 5 EGBDRO COCCO[C@@H]1CCC[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000338959140 456877457 /nfs/dbraw/zinc/87/74/57/456877457.db2.gz VCDTZJCMASBBFG-MRXNPFEDSA-N 1 0 336.432 3.346 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCCNc1ccccn1 ZINC000345042968 456908090 /nfs/dbraw/zinc/90/80/90/456908090.db2.gz DLHPWKMFQPBCKI-QINSGFPZSA-N 1 0 326.400 3.485 20 5 EGBDRO Cc1cnc(N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000346645198 457089545 /nfs/dbraw/zinc/08/95/45/457089545.db2.gz BHLJALBKHYEQBB-CVEARBPZSA-N 1 0 340.427 3.397 20 5 EGBDRO CCc1cnc(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)s1 ZINC000331590881 457212108 /nfs/dbraw/zinc/21/21/08/457212108.db2.gz KQWSZNBSSLJHFT-OLZOCXBDSA-N 1 0 335.433 3.084 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CC[C@H](CC4CC4)C3)n2)cc1 ZINC000339686021 457213170 /nfs/dbraw/zinc/21/31/70/457213170.db2.gz KCZQSFUDPLBXDR-CYBMUJFWSA-N 1 0 328.372 3.267 20 5 EGBDRO Cc1ccc(C(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000342286380 457213184 /nfs/dbraw/zinc/21/31/84/457213184.db2.gz WBSWFGUGYBXLJV-FZKQIMNGSA-N 1 0 333.432 3.144 20 5 EGBDRO CC(C)[C@@]1(CO)CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000339703753 457222874 /nfs/dbraw/zinc/22/28/74/457222874.db2.gz ZDYIVIZHAGDXFS-INIZCTEOSA-N 1 0 326.824 3.479 20 5 EGBDRO CC(=O)NC1CCC([NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000342308400 457228091 /nfs/dbraw/zinc/22/80/91/457228091.db2.gz XGWYMOOSXXRVSX-RAXLEYEMSA-N 1 0 331.416 3.035 20 5 EGBDRO C[C@@H]1CCCC[C@H]1OCC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000331872150 457266197 /nfs/dbraw/zinc/26/61/97/457266197.db2.gz HDZPVLORRSPJDK-GDBMZVCRSA-N 1 0 336.436 3.024 20 5 EGBDRO CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCO1 ZINC000331942407 457277685 /nfs/dbraw/zinc/27/76/85/457277685.db2.gz RPJRBIXELJYZFJ-UGUYLWEFSA-N 1 0 336.436 3.068 20 5 EGBDRO CC[C@@H](CC(F)(F)F)[NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000354542092 457279187 /nfs/dbraw/zinc/27/91/87/457279187.db2.gz WLUYSFRSYMAAKP-UWVGGRQHSA-N 1 0 333.310 3.242 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000332290972 457342269 /nfs/dbraw/zinc/34/22/69/457342269.db2.gz JKOFKYIJXMWYHD-HNNXBMFYSA-N 1 0 346.431 3.208 20 5 EGBDRO CC[C@@H](Cc1ccc(C)cc1)[N@H+](CC)Cc1c([N+](=O)[O-])ncn1C ZINC000355335752 457358508 /nfs/dbraw/zinc/35/85/08/457358508.db2.gz OPMVTZYPMCXGDF-INIZCTEOSA-N 1 0 330.432 3.480 20 5 EGBDRO CC(C)(C)c1ccc(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000373933488 457407403 /nfs/dbraw/zinc/40/74/03/457407403.db2.gz MHNITTOHYDDQGI-HUUCEWRRSA-N 1 0 345.443 3.249 20 5 EGBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cccc(-n2cccn2)c1 ZINC000352570156 457473854 /nfs/dbraw/zinc/47/38/54/457473854.db2.gz CYAXQQPVLLJFEP-UHFFFAOYSA-N 1 0 336.395 3.455 20 5 EGBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000361044676 457537770 /nfs/dbraw/zinc/53/77/70/457537770.db2.gz JDVZMTLNEPVXGG-OCCSQVGLSA-N 1 0 335.452 3.185 20 5 EGBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H](C)c2cncc(F)c2)cccc1[N+](=O)[O-] ZINC000361135625 457605029 /nfs/dbraw/zinc/60/50/29/457605029.db2.gz MOWQHBGUCDLINR-RYUDHWBXSA-N 1 0 346.362 3.115 20 5 EGBDRO O=C1Nc2ccccc2[C@]12CC[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C2 ZINC000364451263 457608812 /nfs/dbraw/zinc/60/88/12/457608812.db2.gz YTJROTHCFOGJBW-ZEZYUPADSA-N 1 0 349.390 3.204 20 5 EGBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000356413459 457613931 /nfs/dbraw/zinc/61/39/31/457613931.db2.gz OFQSKXYXNQXVGD-GFCCVEGCSA-N 1 0 349.456 3.063 20 5 EGBDRO CC[C@@H](C)C[N@H+](CC)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000361337823 457698474 /nfs/dbraw/zinc/69/84/74/457698474.db2.gz UEKGTFIEZQWYAT-CYBMUJFWSA-N 1 0 335.404 3.261 20 5 EGBDRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000357848570 457710805 /nfs/dbraw/zinc/71/08/05/457710805.db2.gz JPBPVBDBXGSJEE-KBXCAEBGSA-N 1 0 341.411 3.324 20 5 EGBDRO C[C@@H](CNc1ccc([N+](=O)[O-])cc1OC(F)F)C[NH+]1CCCC1 ZINC000443446453 457766848 /nfs/dbraw/zinc/76/68/48/457766848.db2.gz PJOCAFWIAVDNLV-NSHDSACASA-N 1 0 329.347 3.340 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000371068158 457779152 /nfs/dbraw/zinc/77/91/52/457779152.db2.gz ZGXSLTVJFOEHDX-HNNXBMFYSA-N 1 0 334.416 3.242 20 5 EGBDRO CN(C(=O)C[N@H+](CC1CC1)CC1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000361564126 457799538 /nfs/dbraw/zinc/79/95/38/457799538.db2.gz MDUMJGBJXOPUKX-UHFFFAOYSA-N 1 0 331.416 3.070 20 5 EGBDRO CCC(=O)c1ccc(N2CCC3(CCC[N@@H+]3C)CC2)c([N+](=O)[O-])c1 ZINC000366424602 457811444 /nfs/dbraw/zinc/81/14/44/457811444.db2.gz AFFSUZULYIKXGN-UHFFFAOYSA-N 1 0 331.416 3.252 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@H]3CCO[C@H]3C3CC3)cs2)c1 ZINC000371221928 457829942 /nfs/dbraw/zinc/82/99/42/457829942.db2.gz ZQXOQKWONDIDDP-HOTGVXAUSA-N 1 0 345.424 3.375 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]CC[S@](=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000358171455 457832426 /nfs/dbraw/zinc/83/24/26/457832426.db2.gz GRJGKEUEVQJGGQ-PSLXWICFSA-N 1 0 332.425 3.362 20 5 EGBDRO CCC[C@@H]([NH2+][C@H]1CC(=O)N(C(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000358210211 457861612 /nfs/dbraw/zinc/86/16/12/457861612.db2.gz YCELANDIIOJGIM-GOEBONIOSA-N 1 0 333.432 3.425 20 5 EGBDRO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1CCc2ccccc2C1 ZINC000444646471 457926735 /nfs/dbraw/zinc/92/67/35/457926735.db2.gz BHEXFEPVBPLUCO-OAHLLOKOSA-N 1 0 336.395 3.460 20 5 EGBDRO COc1ccc(NC(=O)CC[N@H+](CC2CC2)C2CCC2)c([N+](=O)[O-])c1 ZINC000411658415 457941949 /nfs/dbraw/zinc/94/19/49/457941949.db2.gz BXENHYVKCDBYBA-UHFFFAOYSA-N 1 0 347.415 3.197 20 5 EGBDRO COc1ccc(NC(=O)CC[N@H+](C)[C@H]2CCC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000411660300 457942434 /nfs/dbraw/zinc/94/24/34/457942434.db2.gz AWBJXWQRVRYQLY-ZDUSSCGKSA-N 1 0 349.431 3.443 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]Cc1cnc2n1CCCC2)C1CC1 ZINC000367438314 457953628 /nfs/dbraw/zinc/95/36/28/457953628.db2.gz MEOFCSTZFAPOOS-KRWDZBQOSA-N 1 0 340.427 3.239 20 5 EGBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000358378089 457964005 /nfs/dbraw/zinc/96/40/05/457964005.db2.gz NHNYNWYOMNQADQ-LBPRGKRZSA-N 1 0 349.456 3.087 20 5 EGBDRO Cc1cnc(CC[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])nc1 ZINC000358381066 457966106 /nfs/dbraw/zinc/96/61/06/457966106.db2.gz YVCQHTSCAFPZRT-WBVHZDCISA-N 1 0 340.427 3.237 20 5 EGBDRO C[C@@]1(CCc2ccccc2)CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000434911353 458065693 /nfs/dbraw/zinc/06/56/93/458065693.db2.gz YNFBVEJFMBTPAH-GOSISDBHSA-N 1 0 328.416 3.136 20 5 EGBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412152077 458109167 /nfs/dbraw/zinc/10/91/67/458109167.db2.gz ZJYDHXNYTSNDNX-RYQLBKOJSA-N 1 0 345.443 3.031 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CCCCC(C)(C)C1 ZINC000446070380 458139535 /nfs/dbraw/zinc/13/95/35/458139535.db2.gz MVGAYBUZRNNNSM-ZDUSSCGKSA-N 1 0 349.431 3.443 20 5 EGBDRO Cc1ncc2c(n1)CC[C@@H]([NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-])C2 ZINC000371986056 458151180 /nfs/dbraw/zinc/15/11/80/458151180.db2.gz XGMYNCNDOSDSHH-CXAGYDPISA-N 1 0 340.427 3.161 20 5 EGBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000428509898 458160651 /nfs/dbraw/zinc/16/06/51/458160651.db2.gz KUGJEDQATDJZAS-LBPRGKRZSA-N 1 0 341.839 3.027 20 5 EGBDRO CC1(C)CN(CCOc2ccccc2[N+](=O)[O-])C[C@@H](C(F)(F)F)O1 ZINC000428948047 458238817 /nfs/dbraw/zinc/23/88/17/458238817.db2.gz USFXNSCDDAEFDH-ZDUSSCGKSA-N 1 0 348.321 3.015 20 5 EGBDRO COCC[C@@]1([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCOC1 ZINC000447093050 458263885 /nfs/dbraw/zinc/26/38/85/458263885.db2.gz GLYYYSKWURJWCX-GOSISDBHSA-N 1 0 346.383 3.140 20 5 EGBDRO COCc1cc([N+](=O)[O-])ccc1N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000372298530 458269631 /nfs/dbraw/zinc/26/96/31/458269631.db2.gz PDTNOMLUZRBQFO-SFHVURJKSA-N 1 0 327.384 3.340 20 5 EGBDRO CC[C@@H](CNc1cc(C(F)(F)F)ncc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000436311384 458287712 /nfs/dbraw/zinc/28/77/12/458287712.db2.gz KVRMVQXFXYETHL-JTQLQIEISA-N 1 0 332.326 3.295 20 5 EGBDRO C[C@H]1CN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC[N@@H+](C2CCC2)C1 ZINC000429405784 458330013 /nfs/dbraw/zinc/33/00/13/458330013.db2.gz SGDDJAMPIVPIQU-LBPRGKRZSA-N 1 0 339.386 3.179 20 5 EGBDRO CCc1ccc(C(=O)NCc2ccc([C@H](C)[NH3+])cc2)cc1[N+](=O)[O-] ZINC000429483118 458336407 /nfs/dbraw/zinc/33/64/07/458336407.db2.gz KBCJMXNNMXCYBH-LBPRGKRZSA-N 1 0 327.384 3.107 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000459509710 458395675 /nfs/dbraw/zinc/39/56/75/458395675.db2.gz LAOWTDGETZUCMJ-CQSZACIVSA-N 1 0 334.420 3.065 20 5 EGBDRO Cc1ccc([C@H](C)NC(=O)[C@H]2CCCCCC[C@H]2[NH3+])cc1[N+](=O)[O-] ZINC000430080920 458397482 /nfs/dbraw/zinc/39/74/82/458397482.db2.gz PPPKMPPSWOQWMS-CWRNSKLLSA-N 1 0 333.432 3.378 20 5 EGBDRO CC(C)(C)OC(=O)[C@]1(C)CCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000459570804 458414597 /nfs/dbraw/zinc/41/45/97/458414597.db2.gz BVTPXAMHECRUJV-QGZVFWFLSA-N 1 0 338.379 3.288 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@]1(C)CCCC[C@H]1C ZINC000459605126 458426379 /nfs/dbraw/zinc/42/63/79/458426379.db2.gz CLQTXIKOLBRHGA-PXAZEXFGSA-N 1 0 335.404 3.100 20 5 EGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1NCCc2ccccc21 ZINC000423430167 458430994 /nfs/dbraw/zinc/43/09/94/458430994.db2.gz POCIXDQLGHPFJH-RDTXWAMCSA-N 1 0 325.412 3.002 20 5 EGBDRO C[C@H]1C[C@H](c2cccnc2)N(CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000373411702 458485506 /nfs/dbraw/zinc/48/55/06/458485506.db2.gz GVFUKMKDXXEPCS-SUMWQHHRSA-N 1 0 340.383 3.011 20 5 EGBDRO CCCC[C@@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000460357633 458513218 /nfs/dbraw/zinc/51/32/18/458513218.db2.gz UTGKZRSFEOYMDH-HIFRSBDPSA-N 1 0 349.431 3.490 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccccc1OCCO ZINC000468637086 458529134 /nfs/dbraw/zinc/52/91/34/458529134.db2.gz GLWGFWFDZHIAMK-RVDMUPIBSA-N 1 0 342.395 3.159 20 5 EGBDRO COC(=O)c1cnc([C@H](C)[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])s1 ZINC000424326601 458615939 /nfs/dbraw/zinc/61/59/39/458615939.db2.gz MELIKOVCXSGAFJ-QWRGUYRKSA-N 1 0 349.412 3.120 20 5 EGBDRO CC[C@H](C)[NH+]1CCN(C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000456539434 458707553 /nfs/dbraw/zinc/70/75/53/458707553.db2.gz YGBLYEROWJNOTA-AWEZNQCLSA-N 1 0 333.432 3.275 20 5 EGBDRO O=[N+]([O-])c1cccc(N2CC[NH+](C[C@H]3CCC4(CCCC4)O3)CC2)c1 ZINC000530524766 458783805 /nfs/dbraw/zinc/78/38/05/458783805.db2.gz PVMFLDBZSXAPLE-GOSISDBHSA-N 1 0 345.443 3.209 20 5 EGBDRO Cc1ccc([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)cc1[N+](=O)[O-] ZINC000440262405 458798983 /nfs/dbraw/zinc/79/89/83/458798983.db2.gz WYEYEHPZPAZFKH-RHSMWYFYSA-N 1 0 345.443 3.487 20 5 EGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCc2ccccc2F)n1 ZINC000472614875 458804948 /nfs/dbraw/zinc/80/49/48/458804948.db2.gz WKTMYBUJLHJXEB-HZPDHXFCSA-N 1 0 332.379 3.246 20 5 EGBDRO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000473353397 458825590 /nfs/dbraw/zinc/82/55/90/458825590.db2.gz VSGDAAVDCWRXGB-GFCCVEGCSA-N 1 0 335.379 3.327 20 5 EGBDRO CCC(C)(C)CC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000440664291 458839803 /nfs/dbraw/zinc/83/98/03/458839803.db2.gz XXDCMYOXUXVOKJ-UHFFFAOYSA-N 1 0 333.432 3.179 20 5 EGBDRO COC(=O)N1CCC[C@H]([C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000495559981 458882852 /nfs/dbraw/zinc/88/28/52/458882852.db2.gz PHTXXQSKOQYANS-IPYPFGDCSA-N 1 0 335.404 3.112 20 5 EGBDRO CC(C)C[C@H]1CCCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000466375947 458895764 /nfs/dbraw/zinc/89/57/64/458895764.db2.gz AZAYDXRFHQQJMG-NVXWUHKLSA-N 1 0 336.432 3.235 20 5 EGBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000519047234 458910204 /nfs/dbraw/zinc/91/02/04/458910204.db2.gz SAKPGYMYBQHBEO-QXSJWSMHSA-N 1 0 347.459 3.181 20 5 EGBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000466818063 458925137 /nfs/dbraw/zinc/92/51/37/458925137.db2.gz XQWPVPGGYWBXCX-RNCFNFMXSA-N 1 0 340.221 3.252 20 5 EGBDRO CC[C@@H]1C[C@@H](C)C[N@@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000467208539 458959465 /nfs/dbraw/zinc/95/94/65/458959465.db2.gz UDNBKNHZNHTOER-CHWSQXEVSA-N 1 0 333.388 3.013 20 5 EGBDRO CCOC(=O)c1cc(N[C@@H](C)C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000467733136 458984870 /nfs/dbraw/zinc/98/48/70/458984870.db2.gz UEQCRQBBDSLIAT-ZDUSSCGKSA-N 1 0 335.404 3.058 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H](CC(C)C)N1CCOCC1 ZINC000531989190 459012718 /nfs/dbraw/zinc/01/27/18/459012718.db2.gz IFHPKGGMKIJLCZ-WMZOPIPTSA-N 1 0 349.475 3.301 20 5 EGBDRO CCCN1CCC[C@H]1C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000556924309 459033847 /nfs/dbraw/zinc/03/38/47/459033847.db2.gz QROBGEPSYXVTDA-ZWKOTPCHSA-N 1 0 331.460 3.380 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2N2CCOCC2)cc1[N+](=O)[O-] ZINC000532248000 459053481 /nfs/dbraw/zinc/05/34/81/459053481.db2.gz FXFAZOCDFUUXQW-JQHSSLGASA-N 1 0 347.459 3.197 20 5 EGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC[C@@](O)(C(F)(F)F)C1 ZINC000589950039 459056635 /nfs/dbraw/zinc/05/66/35/459056635.db2.gz RYINKCBHBHIKHS-ZLDLUXBVSA-N 1 0 346.349 3.351 20 5 EGBDRO Cc1c([C@H](C)[NH2+][C@@H]2CC[C@](O)(C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000589949690 459056642 /nfs/dbraw/zinc/05/66/42/459056642.db2.gz HAXXIKPOLKBTDT-MISXGVKJSA-N 1 0 332.322 3.400 20 5 EGBDRO CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000577884803 459114284 /nfs/dbraw/zinc/11/42/84/459114284.db2.gz NHTBBTXBKOLSFT-OAHLLOKOSA-N 1 0 345.399 3.287 20 5 EGBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCC4)c2c1 ZINC000521107606 459119784 /nfs/dbraw/zinc/11/97/84/459119784.db2.gz ZKVOYYSXUOCPPA-ZTFGCOKTSA-N 1 0 341.411 3.166 20 5 EGBDRO Cc1cccc(C)c1CC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000567689526 459146160 /nfs/dbraw/zinc/14/61/60/459146160.db2.gz LOALOHYNKRHBIF-UHFFFAOYSA-N 1 0 341.411 3.373 20 5 EGBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC=C(c2ccccn2)C1 ZINC000590602795 459160496 /nfs/dbraw/zinc/16/04/96/459160496.db2.gz XLYSVYSVARIPEU-UHFFFAOYSA-N 1 0 325.368 3.158 20 5 EGBDRO C[C@@H]1[C@H](O)CC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000590661408 459175588 /nfs/dbraw/zinc/17/55/88/459175588.db2.gz DMGDDXFWYLLXJP-MEBBXXQBSA-N 1 0 336.775 3.463 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@H](CO)CC2CC2)o1 ZINC000594983084 459205321 /nfs/dbraw/zinc/20/53/21/459205321.db2.gz JXZHTNDTKKDIGK-CQSZACIVSA-N 1 0 330.384 3.353 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC(C)(C)[C@@]1(O)CCCOC1 ZINC000594993890 459208257 /nfs/dbraw/zinc/20/82/57/459208257.db2.gz ADWCLFLMXWOUON-DQXUBXGMSA-N 1 0 348.443 3.155 20 5 EGBDRO CCC[N@@H+]1CC[C@@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000594992427 459209081 /nfs/dbraw/zinc/20/90/81/459209081.db2.gz REPONMJCWLWNRJ-CQSZACIVSA-N 1 0 346.456 3.292 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H](C)Cn1ccnc1C ZINC000595015563 459216228 /nfs/dbraw/zinc/21/62/28/459216228.db2.gz ZBYLEQNKKZOVEU-OLZOCXBDSA-N 1 0 332.404 3.095 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000595025965 459221053 /nfs/dbraw/zinc/22/10/53/459221053.db2.gz LQYZGAFHAYEDKN-ASTDHERZSA-N 1 0 332.400 3.212 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1ccc2cnn(C)c2c1 ZINC000595037348 459224128 /nfs/dbraw/zinc/22/41/28/459224128.db2.gz FGHWOJHUAMKPAD-LBPRGKRZSA-N 1 0 340.383 3.341 20 5 EGBDRO CC[C@@H](C)[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000533426947 459234495 /nfs/dbraw/zinc/23/44/95/459234495.db2.gz PBYZMYQSGCSSJL-CJNGLKHVSA-N 1 0 349.431 3.443 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]C[C@@H](CO)CC1CC1 ZINC000595088144 459241010 /nfs/dbraw/zinc/24/10/10/459241010.db2.gz HKPGVCTZYJMUDI-XYJFISCASA-N 1 0 332.444 3.304 20 5 EGBDRO CNC(=O)CC1(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000595102178 459245825 /nfs/dbraw/zinc/24/58/25/459245825.db2.gz LALSUVJWXTXHOF-AWEZNQCLSA-N 1 0 333.432 3.332 20 5 EGBDRO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000595292647 459269706 /nfs/dbraw/zinc/26/97/06/459269706.db2.gz CBJOGWRBTHNQJR-IYBDPMFKSA-N 1 0 341.386 3.302 20 5 EGBDRO CC[C@@H](CC(F)F)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000595371551 459285891 /nfs/dbraw/zinc/28/58/91/459285891.db2.gz OFROQTLSFWETMG-RYUDHWBXSA-N 1 0 328.363 3.157 20 5 EGBDRO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@H+](CCC4CCC4)CC3)nc2c1 ZINC000595434148 459300944 /nfs/dbraw/zinc/30/09/44/459300944.db2.gz YSGAHMOBOSWEJL-UHFFFAOYSA-N 1 0 343.431 3.173 20 5 EGBDRO Cc1noc(CN(CC[NH+]2CCCCCC2)C2CCC2)c1[N+](=O)[O-] ZINC000595497402 459324701 /nfs/dbraw/zinc/32/47/01/459324701.db2.gz NZXKUBFINOBUAF-UHFFFAOYSA-N 1 0 336.436 3.122 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000482945349 459331133 /nfs/dbraw/zinc/33/11/33/459331133.db2.gz ITRGCKLBRGIOFW-UHFFFAOYSA-N 1 0 347.459 3.372 20 5 EGBDRO COc1ccc(OCC[N@H+](CC2CC2)CC2CCC2)c([N+](=O)[O-])c1 ZINC000483265597 459355605 /nfs/dbraw/zinc/35/56/05/459355605.db2.gz IHNVFUMDGGMBKY-UHFFFAOYSA-N 1 0 334.416 3.494 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000591509798 459394317 /nfs/dbraw/zinc/39/43/17/459394317.db2.gz AKPAGSNNNFYWTB-INIZCTEOSA-N 1 0 345.443 3.302 20 5 EGBDRO CC[C@H](C)[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000524811737 459396584 /nfs/dbraw/zinc/39/65/84/459396584.db2.gz IJMLJLIRYMBLAM-ZVZYQTTQSA-N 1 0 336.432 3.235 20 5 EGBDRO CC(C)[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccc(F)cn1 ZINC000540921854 459403861 /nfs/dbraw/zinc/40/38/61/459403861.db2.gz IXCWHFMSFJYEDD-KRWDZBQOSA-N 1 0 333.363 3.495 20 5 EGBDRO O=C(C[NH2+]C1(c2ccc(Cl)cc2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000561158857 459425552 /nfs/dbraw/zinc/42/55/52/459425552.db2.gz OBNWYFAGWPZWBT-UHFFFAOYSA-N 1 0 345.786 3.466 20 5 EGBDRO C[C@]1(c2ccccc2)C[C@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000591744341 459427905 /nfs/dbraw/zinc/42/79/05/459427905.db2.gz VTGNWSCAKSXZLV-IEBWSBKVSA-N 1 0 339.395 3.243 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000595791139 459443188 /nfs/dbraw/zinc/44/31/88/459443188.db2.gz ZSLVIZJYODSNAI-YOEHRIQHSA-N 1 0 334.416 3.385 20 5 EGBDRO Cc1ccc([C@H](C)NC(=O)c2cccc3c2CC[NH2+]C3)cc1[N+](=O)[O-] ZINC000595940519 459489109 /nfs/dbraw/zinc/48/91/09/459489109.db2.gz FRBLGKULTUVSBK-ZDUSSCGKSA-N 1 0 339.395 3.040 20 5 EGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C2Cc3ccccc3C2)n1 ZINC000583479944 459546424 /nfs/dbraw/zinc/54/64/24/459546424.db2.gz RLWZPGLVHUUXPL-IAGOWNOFSA-N 1 0 326.400 3.032 20 5 EGBDRO C[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000592272766 459565488 /nfs/dbraw/zinc/56/54/88/459565488.db2.gz GBIDJEVPOUXVAF-PXAZEXFGSA-N 1 0 341.367 3.324 20 5 EGBDRO CC(C)[N@H+](C)CC1CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000562474144 459568458 /nfs/dbraw/zinc/56/84/58/459568458.db2.gz NBYBHSLXNHFOPA-UHFFFAOYSA-N 1 0 332.448 3.119 20 5 EGBDRO CCC[C@H]1CCCC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000542631433 459576245 /nfs/dbraw/zinc/57/62/45/459576245.db2.gz CTHBTBSOCGFOLR-HNNXBMFYSA-N 1 0 331.416 3.139 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000562571021 459590623 /nfs/dbraw/zinc/59/06/23/459590623.db2.gz FPHUUISIXVZQCN-ZDUSSCGKSA-N 1 0 334.420 3.153 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H](n2cc(C)cn2)C1 ZINC000583784496 459595414 /nfs/dbraw/zinc/59/54/14/459595414.db2.gz GEONXYGSTWELMU-QKAYDNCFSA-N 1 0 326.400 3.450 20 5 EGBDRO CC(C)(C)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000596337438 459600183 /nfs/dbraw/zinc/60/01/83/459600183.db2.gz XPTFZIUHKSFWBF-LLVKDONJSA-N 1 0 329.347 3.481 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CN(CCCCC1CCOCC1)CCO2 ZINC000573048248 459616010 /nfs/dbraw/zinc/61/60/10/459616010.db2.gz WURJQJOMOXNIAQ-UHFFFAOYSA-N 1 0 334.416 3.386 20 5 EGBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCCC2(CCCCC2)C1 ZINC000543205612 459636269 /nfs/dbraw/zinc/63/62/69/459636269.db2.gz BNZMHHZSTZMCQE-INIZCTEOSA-N 1 0 348.443 3.381 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H](CO)c2cccc(Cl)c2F)cc1 ZINC000499939039 459658116 /nfs/dbraw/zinc/65/81/16/459658116.db2.gz NAEGLMHKXDQLLH-OAHLLOKOSA-N 1 0 338.766 3.253 20 5 EGBDRO O=C(CC[NH2+][C@H]1C[C@H](c2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000563003820 459691911 /nfs/dbraw/zinc/69/19/11/459691911.db2.gz XNHKAIPEMPLRHV-WKILWMFISA-N 1 0 339.395 3.459 20 5 EGBDRO C[N@@H+]1CCC[C@H]2CN(c3nccc4c3cccc4[N+](=O)[O-])CC[C@H]21 ZINC000584391511 459725472 /nfs/dbraw/zinc/72/54/72/459725472.db2.gz PFVCVWVYNSCUFE-XJKSGUPXSA-N 1 0 326.400 3.064 20 5 EGBDRO C[N@@H+]1CCC[C@@H]2CN(c3nccc4c3cccc4[N+](=O)[O-])CC[C@@H]21 ZINC000584391509 459725616 /nfs/dbraw/zinc/72/56/16/459725616.db2.gz PFVCVWVYNSCUFE-CJNGLKHVSA-N 1 0 326.400 3.064 20 5 EGBDRO CCCCC[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000544145282 459733099 /nfs/dbraw/zinc/73/30/99/459733099.db2.gz HLMRTFHEOFJYET-HZPDHXFCSA-N 1 0 336.432 3.379 20 5 EGBDRO Cc1ccc(NC(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)cc1[N+](=O)[O-] ZINC000584457287 459742634 /nfs/dbraw/zinc/74/26/34/459742634.db2.gz XEZIFDJXOXRNOT-MRXNPFEDSA-N 1 0 346.431 3.145 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H](OC(C)C)C1 ZINC000593056108 459758336 /nfs/dbraw/zinc/75/83/36/459758336.db2.gz YCCYMOGAYDQMAU-MRXNPFEDSA-N 1 0 349.431 3.121 20 5 EGBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000574454661 459820387 /nfs/dbraw/zinc/82/03/87/459820387.db2.gz IQMZDXNCPMVFQI-AWEZNQCLSA-N 1 0 347.459 3.061 20 5 EGBDRO CN(C(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000602234645 459874121 /nfs/dbraw/zinc/87/41/21/459874121.db2.gz SCWKFQWFMWILMO-INIZCTEOSA-N 1 0 339.395 3.080 20 5 EGBDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000609153910 459914966 /nfs/dbraw/zinc/91/49/66/459914966.db2.gz GHPVVNGAPBYRDY-CQSZACIVSA-N 1 0 341.411 3.454 20 5 EGBDRO COc1cc2c(c(C[NH2+]CCc3ccc([N+](=O)[O-])cc3)c1)O[C@@H](C)C2 ZINC000609222424 459926219 /nfs/dbraw/zinc/92/62/19/459926219.db2.gz IASBLBNKIWPWIT-ZDUSSCGKSA-N 1 0 342.395 3.259 20 5 EGBDRO CO[C@H](C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C)C1CCOCC1 ZINC000602440629 459939566 /nfs/dbraw/zinc/93/95/66/459939566.db2.gz QQEFXIVQPQELRY-GOSISDBHSA-N 1 0 336.432 3.247 20 5 EGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000602483634 459961895 /nfs/dbraw/zinc/96/18/95/459961895.db2.gz KCZOTDMWRWLTIE-AWEZNQCLSA-N 1 0 330.306 3.226 20 5 EGBDRO COc1ccc(C2([NH2+]Cc3ccc(OC)c([N+](=O)[O-])c3)CC2)cc1 ZINC000609467416 459966938 /nfs/dbraw/zinc/96/69/38/459966938.db2.gz USMBYCOYCBXPBP-UHFFFAOYSA-N 1 0 328.368 3.391 20 5 EGBDRO Cc1cc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)ccc1F ZINC000602505533 459972458 /nfs/dbraw/zinc/97/24/58/459972458.db2.gz FCMOOOKUWZRUMM-UHFFFAOYSA-N 1 0 344.390 3.196 20 5 EGBDRO C[C@H]1CCCC[C@H]1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602521243 459981577 /nfs/dbraw/zinc/98/15/77/459981577.db2.gz LKZGTYJSSLHHMB-GJZGRUSLSA-N 1 0 332.448 3.375 20 5 EGBDRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000588821360 459986254 /nfs/dbraw/zinc/98/62/54/459986254.db2.gz FEBXAHUDRQQYIX-OAHLLOKOSA-N 1 0 333.432 3.275 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]Cc3cc(F)ccc3F)CC2)cn1 ZINC000602540367 459990847 /nfs/dbraw/zinc/99/08/47/459990847.db2.gz MQRWGBHDWGKVFZ-UHFFFAOYSA-N 1 0 348.353 3.027 20 5 EGBDRO Cc1nc(C)c(CC[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)s1 ZINC000602547696 459992400 /nfs/dbraw/zinc/99/24/00/459992400.db2.gz JBHBLTNYZUPJQD-UHFFFAOYSA-N 1 0 332.385 3.142 20 5 EGBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]CCc3ccc4c(c3)CCO4)nc2c1 ZINC000602545649 459992521 /nfs/dbraw/zinc/99/25/21/459992521.db2.gz HYPWPSMRWFYEMT-UHFFFAOYSA-N 1 0 339.351 3.003 20 5 EGBDRO COc1cc(CC[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)ccc1C ZINC000602554341 459995966 /nfs/dbraw/zinc/99/59/66/459995966.db2.gz GUDZNGKZYTXVOL-UHFFFAOYSA-N 1 0 341.367 3.385 20 5 EGBDRO O=[N+]([O-])c1sc(C[NH2+]C[C@@H]2CCC[C@@H](O)C2)cc1Br ZINC000602554301 459996300 /nfs/dbraw/zinc/99/63/00/459996300.db2.gz FPWFVOCYXIGZTE-RKDXNWHRSA-N 1 0 349.250 3.060 20 5 EGBDRO CO[C@@H](C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)C(C)C ZINC000602559524 459996743 /nfs/dbraw/zinc/99/67/43/459996743.db2.gz DKVWMFCATMRLNE-JTQLQIEISA-N 1 0 337.239 3.179 20 5 EGBDRO CC(C)(C)NC(=O)CC[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602564043 459998977 /nfs/dbraw/zinc/99/89/77/459998977.db2.gz KQSINPCPOIZXAY-UHFFFAOYSA-N 1 0 347.337 3.008 20 5 EGBDRO C[C@H](O)C[C@@H](C[NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000602569182 460000918 /nfs/dbraw/zinc/00/09/18/460000918.db2.gz OSPKRWPXBIENBT-YJBOKZPZSA-N 1 0 328.412 3.282 20 5 EGBDRO O=[N+]([O-])c1ccc2oc(C[NH2+][C@@H]3CCOC4(CCCC4)C3)nc2c1 ZINC000602567107 460001778 /nfs/dbraw/zinc/00/17/78/460001778.db2.gz HURZCUHIKVHUHF-GFCCVEGCSA-N 1 0 331.372 3.317 20 5 EGBDRO C[C@H]1CC([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)C[C@H](C)O1 ZINC000602579969 460007785 /nfs/dbraw/zinc/00/77/85/460007785.db2.gz VMCGFWJZFZVXIL-YUMQZZPRSA-N 1 0 349.250 3.464 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@@]2(CO)C[C@H]2c2ccc(F)cc2)cc1 ZINC000602640742 460036909 /nfs/dbraw/zinc/03/69/09/460036909.db2.gz ZMBOTDYYBXOYNQ-RBUKOAKNSA-N 1 0 344.386 3.032 20 5 EGBDRO COCC1(C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CCC1 ZINC000602654701 460044932 /nfs/dbraw/zinc/04/49/32/460044932.db2.gz XJEDEQVILRLYAW-UHFFFAOYSA-N 1 0 349.250 3.325 20 5 EGBDRO CN(CCOc1cccc([N+](=O)[O-])c1)Cc1cc(C(C)(C)C)n[nH]1 ZINC000575982698 460045484 /nfs/dbraw/zinc/04/54/84/460045484.db2.gz YTCPHCPKTOKSBJ-UHFFFAOYSA-N 1 0 332.404 3.126 20 5 EGBDRO CC1(C)CCC[C@@H]1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602677111 460059678 /nfs/dbraw/zinc/05/96/78/460059678.db2.gz SXNNQWXVWJAJEH-CQSZACIVSA-N 1 0 332.448 3.375 20 5 EGBDRO CC[C@H]([NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)C(C)(C)O ZINC000602675555 460060460 /nfs/dbraw/zinc/06/04/60/460060460.db2.gz HIYOHEYLSJTANQ-VIFPVBQESA-N 1 0 337.239 3.058 20 5 EGBDRO CC(C)[C@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)C(=O)N1CCCC1 ZINC000618571642 460067016 /nfs/dbraw/zinc/06/70/16/460067016.db2.gz FEVQRFQQZCIYOM-MSOLQXFVSA-N 1 0 345.443 3.209 20 5 EGBDRO CC[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[C@@H]1CC1(C)C ZINC000602693644 460068092 /nfs/dbraw/zinc/06/80/92/460068092.db2.gz DLAMSBZIVOHBQD-JKSUJKDBSA-N 1 0 332.448 3.373 20 5 EGBDRO CCc1ccc(C(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000597862293 460084460 /nfs/dbraw/zinc/08/44/60/460084460.db2.gz ZLAMPCYEVJFSBF-ZDUSSCGKSA-N 1 0 333.432 3.007 20 5 EGBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000598917050 460091707 /nfs/dbraw/zinc/09/17/07/460091707.db2.gz RVWTWUUCYRTJTA-JTQLQIEISA-N 1 0 338.795 3.044 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594109021 460105188 /nfs/dbraw/zinc/10/51/88/460105188.db2.gz MYUSDXWYFRVKKF-DOTOQJQBSA-N 1 0 346.431 3.296 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@H](Cc2ccccc2)[C@H]1C ZINC000602781192 460122580 /nfs/dbraw/zinc/12/25/80/460122580.db2.gz IGLYGKIXIMFXED-RHSMWYFYSA-N 1 0 328.416 3.053 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 ZINC000602826488 460147234 /nfs/dbraw/zinc/14/72/34/460147234.db2.gz BLVRAUQFNJJECA-KZNAEPCWSA-N 1 0 340.427 3.368 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H](Cn2cccn2)c2ccccc2)cc1 ZINC000610432830 460149708 /nfs/dbraw/zinc/14/97/08/460149708.db2.gz BMSNPBIITHXKPA-IBGZPJMESA-N 1 0 336.395 3.365 20 5 EGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1Cc2ccccc2NC1=O ZINC000599074827 460152914 /nfs/dbraw/zinc/15/29/14/460152914.db2.gz QKUCNKSZUGTSLP-GUYCJALGSA-N 1 0 339.395 3.069 20 5 EGBDRO O=[N+]([O-])c1ccc(C[N@H+]2C[C@H]3CN(c4ccccc4)C[C@H]3C2)c(F)c1 ZINC000610476259 460159584 /nfs/dbraw/zinc/15/95/84/460159584.db2.gz RNHZDXMUXLLQOY-IYBDPMFKSA-N 1 0 341.386 3.302 20 5 EGBDRO Cc1c([C@@H](C)[NH2+]C2CCN(CC(F)F)CC2)cccc1[N+](=O)[O-] ZINC000610806982 460240500 /nfs/dbraw/zinc/24/05/00/460240500.db2.gz NIBCULDWUKJPAK-GFCCVEGCSA-N 1 0 327.375 3.283 20 5 EGBDRO CC[C@H]([NH2+]C1CCN(C[C@@H]2CCCO2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000610818835 460241915 /nfs/dbraw/zinc/24/19/15/460241915.db2.gz HMCOQGQIUZJESO-OALUTQOASA-N 1 0 347.459 3.279 20 5 EGBDRO O=[N+]([O-])c1ccc(NCc2ccccc2C[NH+]2CCC(O)CC2)s1 ZINC000610914891 460260021 /nfs/dbraw/zinc/26/00/21/460260021.db2.gz NSQSVNKBJBZEJU-UHFFFAOYSA-N 1 0 347.440 3.225 20 5 EGBDRO Cc1c(Cn2cc(C[N@@H+](C)C3CCCCC3)nn2)cccc1[N+](=O)[O-] ZINC000603199978 460263465 /nfs/dbraw/zinc/26/34/65/460263465.db2.gz XLXXBVWGUQNQFU-UHFFFAOYSA-N 1 0 343.431 3.308 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC(F)(F)C[C@H]1C ZINC000599621815 460290639 /nfs/dbraw/zinc/29/06/39/460290639.db2.gz GPMIQDXBYGKSSK-GFCCVEGCSA-N 1 0 341.358 3.351 20 5 EGBDRO CCOCCN(Cc1onc(C)c1[N+](=O)[O-])[C@H]1CCc2ccccc21 ZINC000599626042 460291466 /nfs/dbraw/zinc/29/14/66/460291466.db2.gz SIILKFBALQWZJE-INIZCTEOSA-N 1 0 345.399 3.417 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)nc1-c1ccccc1 ZINC000611182846 460303695 /nfs/dbraw/zinc/30/36/95/460303695.db2.gz GTINQGOEQSPOTA-HZPDHXFCSA-N 1 0 338.411 3.117 20 5 EGBDRO CCc1ccc(C2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)cc1 ZINC000599668608 460304569 /nfs/dbraw/zinc/30/45/69/460304569.db2.gz HVSCHVLXWRUBQQ-UHFFFAOYSA-N 1 0 328.416 3.233 20 5 EGBDRO CC(C)[NH+]1CCN(c2cccc(Nc3cccnc3[N+](=O)[O-])c2)CC1 ZINC000611242709 460315768 /nfs/dbraw/zinc/31/57/68/460315768.db2.gz GZGDFAKYOQQALS-UHFFFAOYSA-N 1 0 341.415 3.264 20 5 EGBDRO O=[N+]([O-])c1ccc(C[N@H+](Cc2ccccc2-n2cncn2)C2CC2)cc1 ZINC000611254767 460317927 /nfs/dbraw/zinc/31/79/27/460317927.db2.gz QZAIGGYCLBNORU-UHFFFAOYSA-N 1 0 349.394 3.340 20 5 EGBDRO C[N@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)[C@@H]1CCc2ccccc21 ZINC000611253732 460318300 /nfs/dbraw/zinc/31/83/00/460318300.db2.gz LYRKUPZRIZMAKY-MRXNPFEDSA-N 1 0 340.379 3.485 20 5 EGBDRO CCSCC[C@@H](C)[N@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611276564 460326980 /nfs/dbraw/zinc/32/69/80/460326980.db2.gz KRVNHVZMAIWPPA-GFCCVEGCSA-N 1 0 340.445 3.330 20 5 EGBDRO CS[C@H]1CCCC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611287093 460328795 /nfs/dbraw/zinc/32/87/95/460328795.db2.gz LNZFIVFWVXUOKV-ZDUSSCGKSA-N 1 0 338.429 3.084 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C(=O)N1CCCC1)C(C)C ZINC000611335769 460338294 /nfs/dbraw/zinc/33/82/94/460338294.db2.gz BSXGTFBFQAHTDF-YOEHRIQHSA-N 1 0 333.432 3.201 20 5 EGBDRO CCOc1ccc(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1[N+](=O)[O-] ZINC000603825286 460343708 /nfs/dbraw/zinc/34/37/08/460343708.db2.gz APSNTLJOXSPNIY-UHFFFAOYSA-N 1 0 349.431 3.033 20 5 EGBDRO CC[NH+]1CCN(c2ccc(Nc3cccnc3[N+](=O)[O-])c(C)c2)CC1 ZINC000603838955 460345865 /nfs/dbraw/zinc/34/58/65/460345865.db2.gz YHDYCLJXMWZMAZ-UHFFFAOYSA-N 1 0 341.415 3.184 20 5 EGBDRO Cc1cc(NCC2([NH+]3CCOCC3)CCCCC2)ccc1[N+](=O)[O-] ZINC000603837204 460345917 /nfs/dbraw/zinc/34/59/17/460345917.db2.gz HMRWQLGSIHFJIF-UHFFFAOYSA-N 1 0 333.432 3.350 20 5 EGBDRO COc1cccc([C@H](CNc2cccnc2[N+](=O)[O-])[NH+]2CCCC2)c1 ZINC000603838492 460346068 /nfs/dbraw/zinc/34/60/68/460346068.db2.gz OTQKGPRLEOWFOQ-KRWDZBQOSA-N 1 0 342.399 3.247 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000611515185 460384843 /nfs/dbraw/zinc/38/48/43/460384843.db2.gz HHJYRMVHMWDSMJ-AEFFLSMTSA-N 1 0 347.459 3.151 20 5 EGBDRO C[C@H]([NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@H](O)C(F)(F)F ZINC000601151295 460733444 /nfs/dbraw/zinc/73/34/44/460733444.db2.gz VPUDJZYOTHBQTB-XPTSAGLGSA-N 1 0 344.289 3.256 20 5 EGBDRO CCOc1cc(C[N@H+](CCO)CCc2ccccc2)ccc1[N+](=O)[O-] ZINC000617201100 460773830 /nfs/dbraw/zinc/77/38/30/460773830.db2.gz GVVGXEGWWBGAJT-UHFFFAOYSA-N 1 0 344.411 3.031 20 5 EGBDRO COCC[N@H+](Cc1cc(OC)c(F)cc1[N+](=O)[O-])C1CCCC1 ZINC000613285998 460895831 /nfs/dbraw/zinc/89/58/31/460895831.db2.gz NRAZJDCXZBSTGA-UHFFFAOYSA-N 1 0 326.368 3.134 20 5 EGBDRO Cc1ncc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)s1 ZINC000601938163 460952663 /nfs/dbraw/zinc/95/26/63/460952663.db2.gz XPJRMUZWJUTCCV-UWVGGRQHSA-N 1 0 334.401 3.038 20 5 EGBDRO COc1cc(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)ccn1 ZINC000131682239 533904730 /nfs/dbraw/zinc/90/47/30/533904730.db2.gz DEHRQIICIKMEQJ-MRXNPFEDSA-N 1 0 327.384 3.109 20 5 EGBDRO Cc1c([C@@H](C)[NH2+][C@@H](C)C(=O)NCc2ccccc2)cccc1[N+](=O)[O-] ZINC000177944542 533945658 /nfs/dbraw/zinc/94/56/58/533945658.db2.gz QCJRISPMSCTAOJ-CABCVRRESA-N 1 0 341.411 3.259 20 5 EGBDRO Cc1cc(NC[C@@H]2CCC[N@@H+](C)C2)c(Br)cc1[N+](=O)[O-] ZINC000234342635 525273344 /nfs/dbraw/zinc/27/33/44/525273344.db2.gz JWDUYJDCKCLFOR-NSHDSACASA-N 1 0 342.237 3.419 20 5 EGBDRO CCOC[C@H]([NH2+][C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C(C)C ZINC000189818315 528995400 /nfs/dbraw/zinc/99/54/00/528995400.db2.gz PHVUPLFEZGLEOF-DOMZBBRYSA-N 1 0 348.403 3.357 20 5 EGBDRO C[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1ccc([S@@](C)=O)cc1 ZINC000271796129 547345144 /nfs/dbraw/zinc/34/51/44/547345144.db2.gz KBGRGPAFSQNYFX-RKNYENMMSA-N 1 0 348.424 3.062 20 5 EGBDRO C[C@H](CCNC(=O)c1c(Cl)cccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000182250631 574535519 /nfs/dbraw/zinc/53/55/19/574535519.db2.gz UDWSXNMVWJFMDO-GFCCVEGCSA-N 1 0 339.823 3.243 20 5 EGBDRO CN(c1ccccc1)c1ccc(C[NH2+][C@@H]2CCN(C)C2)cc1[N+](=O)[O-] ZINC000729682663 574878741 /nfs/dbraw/zinc/87/87/41/574878741.db2.gz YDSOGWYCFQZRCV-MRXNPFEDSA-N 1 0 340.427 3.156 20 5 EGBDRO CCCOc1ccc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000731678171 575199385 /nfs/dbraw/zinc/19/93/85/575199385.db2.gz HOMXNKGLDVFGGE-SFHVURJKSA-N 1 0 330.384 3.207 20 5 EGBDRO CCC[C@@H]1[C@H](C)CCC[N@@H+]1Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000743379664 576807722 /nfs/dbraw/zinc/80/77/22/576807722.db2.gz AIKJHSIXDUTHQO-TZMCWYRMSA-N 1 0 333.388 3.361 20 5 EGBDRO CC1CCC([N@H+](C)Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000054513924 1291755255 /nfs/dbraw/zinc/75/52/55/1291755255.db2.gz GPUHHFCPXUZWSO-UHFFFAOYSA-N 1 0 329.404 3.321 20 5 EGBDRO C[C@H]1CN(c2cc(N)ccc2[N+](=O)[O-])CC[N@H+](Cc2ccccc2)C1 ZINC000829067320 1292534867 /nfs/dbraw/zinc/53/48/67/1292534867.db2.gz QDDLSZKESHEPGA-OAHLLOKOSA-N 1 0 340.427 3.135 20 5 EGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)C[C@@]1(O)CCc2ccccc21 ZINC000829337809 1292563702 /nfs/dbraw/zinc/56/37/02/1292563702.db2.gz MEVDNSSYKLRRKZ-KUHUBIRLSA-N 1 0 326.396 3.422 20 5 EGBDRO C[C@H]([NH2+]CC(=O)NC1CCCCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000830156347 1292676178 /nfs/dbraw/zinc/67/61/78/1292676178.db2.gz SMDHAGUJTFETQP-AWEZNQCLSA-N 1 0 333.432 3.475 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@@H](OC(=O)N(C)C)C1 ZINC000830584704 1292736895 /nfs/dbraw/zinc/73/68/95/1292736895.db2.gz YQVYNLDDHGOZPF-UKRRQHHQSA-N 1 0 335.404 3.127 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]C[C@]2(O)CCc3ccccc32)cc1[N+](=O)[O-] ZINC000090779793 1292806061 /nfs/dbraw/zinc/80/60/61/1292806061.db2.gz ITAKTGSPZLSIPR-IFXJQAMLSA-N 1 0 326.396 3.388 20 5 EGBDRO CCCN(C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1)[C@@H]1CC[N@H+](C)C1 ZINC000831421753 1292858943 /nfs/dbraw/zinc/85/89/43/1292858943.db2.gz PUROSCYCJXNMDX-GFCCVEGCSA-N 1 0 340.811 3.196 20 5 EGBDRO CC(C)(CCC(=O)N(CC[NH+]1CCCCCC1)C1CCC1)[N+](=O)[O-] ZINC000832580580 1293024775 /nfs/dbraw/zinc/02/47/75/1293024775.db2.gz UUPNVTGKDVJOQM-UHFFFAOYSA-N 1 0 339.480 3.079 20 5 EGBDRO CC1(C)C[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCO1 ZINC000119246846 1293260892 /nfs/dbraw/zinc/26/08/92/1293260892.db2.gz NIXNCHVTEFKKIP-HNNXBMFYSA-N 1 0 333.432 3.111 20 5 EGBDRO CC[C@@H]([NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000119816069 1293289886 /nfs/dbraw/zinc/28/98/86/1293289886.db2.gz VDNRACGFHQLWHA-OCCSQVGLSA-N 1 0 343.221 3.405 20 5 EGBDRO Cc1nn(C[N@@H+]2CC[C@H](Cc3ccc(F)cc3)C2)c(C)c1[N+](=O)[O-] ZINC000119812692 1293290164 /nfs/dbraw/zinc/29/01/64/1293290164.db2.gz KRBGWPJHIVEZPA-OAHLLOKOSA-N 1 0 332.379 3.069 20 5 EGBDRO COc1ccccc1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000131114304 1293679835 /nfs/dbraw/zinc/67/98/35/1293679835.db2.gz LZTOTYJAHUHQIG-UHFFFAOYSA-N 1 0 341.411 3.362 20 5 EGBDRO C[NH+](C)Cc1cccc(CNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)c1 ZINC000138565008 1293836827 /nfs/dbraw/zinc/83/68/27/1293836827.db2.gz IFQLGLJVGRQSGI-UHFFFAOYSA-N 1 0 347.802 3.240 20 5 EGBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCC[NH2+]C1CCCCCC1 ZINC000159634227 1294241934 /nfs/dbraw/zinc/24/19/34/1294241934.db2.gz GLPRVTXNAXTBTD-FMIVXFBMSA-N 1 0 331.416 3.037 20 5 EGBDRO C[C@H]1CCC[C@H]([N@H+](C)Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C1 ZINC000172894788 1294448517 /nfs/dbraw/zinc/44/85/17/1294448517.db2.gz XNBLSASWSFRHGQ-ZFWWWQNUSA-N 1 0 329.404 3.321 20 5 EGBDRO CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000173348040 1294460324 /nfs/dbraw/zinc/46/03/24/1294460324.db2.gz VCXISSFAUMCSRL-DZGCQCFKSA-N 1 0 349.431 3.378 20 5 EGBDRO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 ZINC000205437017 1296092731 /nfs/dbraw/zinc/09/27/31/1296092731.db2.gz WQHQJLNTMZHUCT-LBPRGKRZSA-N 1 0 331.328 3.233 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000870994339 1296171316 /nfs/dbraw/zinc/17/13/16/1296171316.db2.gz PNOOTCQOIHUSSM-GOSISDBHSA-N 1 0 333.432 3.049 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)CO[C@H]1CCOC1 ZINC000872041266 1296689016 /nfs/dbraw/zinc/68/90/16/1296689016.db2.gz GUHCWDVJMXZPMK-DYEKYZERSA-N 1 0 340.445 3.161 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCNc1ncccn1 ZINC000872042590 1296690843 /nfs/dbraw/zinc/69/08/43/1296690843.db2.gz QDDXYVXIOKJHEX-GFCCVEGCSA-N 1 0 347.444 3.260 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCc1nccnc1C ZINC000872073317 1296718290 /nfs/dbraw/zinc/71/82/90/1296718290.db2.gz OQLHEQOOBRPDKV-NSHDSACASA-N 1 0 332.429 3.308 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C1CCN(C(=O)C(C)(C)C)CC1 ZINC000873014483 1297223779 /nfs/dbraw/zinc/22/37/79/1297223779.db2.gz QYEZATHUCLQXCH-UHFFFAOYSA-N 1 0 347.459 3.338 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H]1CCN(C(=O)C2CCCC2)C1 ZINC000873077662 1297262282 /nfs/dbraw/zinc/26/22/82/1297262282.db2.gz CPIUFIRUEWQUQN-INIZCTEOSA-N 1 0 345.443 3.092 20 5 EGBDRO CC[C@H]1C[C@@H](C)C[N@@H+]1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000745990264 1298509707 /nfs/dbraw/zinc/50/97/07/1298509707.db2.gz ADPHGEPGJWVGML-PWSUYJOCSA-N 1 0 325.796 3.307 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1CN1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000876783240 1298981203 /nfs/dbraw/zinc/98/12/03/1298981203.db2.gz XKZRBCRXNQQVCC-QGZVFWFLSA-N 1 0 331.460 3.375 20 5 EGBDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000749604354 1299244558 /nfs/dbraw/zinc/24/45/58/1299244558.db2.gz WOTBOMSJIMIMMZ-ZPHJMFTNSA-N 1 0 345.443 3.379 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2CCSc3ccccc32)c1 ZINC000749676338 1299253889 /nfs/dbraw/zinc/25/38/89/1299253889.db2.gz MNJUPEKBUKSTMQ-HZPDHXFCSA-N 1 0 330.409 3.455 20 5 EGBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000751887632 1299644129 /nfs/dbraw/zinc/64/41/29/1299644129.db2.gz XVVLYEQBXWRGDQ-LLVKDONJSA-N 1 0 340.811 3.244 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1nnc(C[N@@H+]2CCC[C@@H]2C2CCC2)o1 ZINC000878047421 1299724361 /nfs/dbraw/zinc/72/43/61/1299724361.db2.gz FNQCXVIFMZAANM-CQSZACIVSA-N 1 0 328.372 3.409 20 5 EGBDRO CC[C@H]1CCC[N@H+](CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)CC1 ZINC000752794230 1299796370 /nfs/dbraw/zinc/79/63/70/1299796370.db2.gz XFTLZXIBOUXZBN-HNNXBMFYSA-N 1 0 346.431 3.306 20 5 EGBDRO CCC[C@H]1CCC[N@H+](CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)C1 ZINC000752792210 1299796412 /nfs/dbraw/zinc/79/64/12/1299796412.db2.gz KDYMTIMNDNQHBK-HNNXBMFYSA-N 1 0 346.431 3.306 20 5 EGBDRO Cc1ccc([C@@H](C)NC(=O)NC[C@@H](C)[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000752894478 1299812179 /nfs/dbraw/zinc/81/21/79/1299812179.db2.gz XZJMYXUTCCBIGS-HUUCEWRRSA-N 1 0 348.447 3.138 20 5 EGBDRO CC(C)(CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000753176358 1299888166 /nfs/dbraw/zinc/88/81/66/1299888166.db2.gz GXOYTCHNAXTDGM-UHFFFAOYSA-N 1 0 339.823 3.100 20 5 EGBDRO C[N@@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C[C@@H]1CC=CCC1 ZINC000878403933 1299976339 /nfs/dbraw/zinc/97/63/39/1299976339.db2.gz JVKLMDHEHNRWKZ-CYBMUJFWSA-N 1 0 328.372 3.433 20 5 EGBDRO CCS[C@@H]1CCC[C@H]1[NH2+]Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878599236 1300100181 /nfs/dbraw/zinc/10/01/81/1300100181.db2.gz INJPFLKCROZHMO-TZMCWYRMSA-N 1 0 348.428 3.409 20 5 EGBDRO C[N@H+](C1CCCC1)C(C)(C)C(=O)OCc1cc(F)ccc1[N+](=O)[O-] ZINC000754872132 1300235604 /nfs/dbraw/zinc/23/56/04/1300235604.db2.gz OHXRWPBDLRFCDK-UHFFFAOYSA-N 1 0 338.379 3.430 20 5 EGBDRO CC1CC[NH+](CCN(C)Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000757350571 1300667185 /nfs/dbraw/zinc/66/71/85/1300667185.db2.gz FTRVDOPJWORPIX-UHFFFAOYSA-N 1 0 325.840 3.412 20 5 EGBDRO C[C@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1nccs1 ZINC000757699426 1300714098 /nfs/dbraw/zinc/71/40/98/1300714098.db2.gz XZSYUHNBEWIOGV-CYBMUJFWSA-N 1 0 346.456 3.413 20 5 EGBDRO C[NH+](C)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2OC(F)F)CC1 ZINC000758208395 1300814465 /nfs/dbraw/zinc/81/44/65/1300814465.db2.gz UFTDFHLFUULOGY-LLVKDONJSA-N 1 0 329.347 3.117 20 5 EGBDRO CC[NH+]1CCN(c2ccc(Nc3ccc([N+](=O)[O-])c(C)n3)cc2)CC1 ZINC000760444093 1301272410 /nfs/dbraw/zinc/27/24/10/1301272410.db2.gz BKCAFTWAJMXQEU-UHFFFAOYSA-N 1 0 341.415 3.184 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](CO)Cc2ccccc2)cc1Cl ZINC000761521632 1301490528 /nfs/dbraw/zinc/49/05/28/1301490528.db2.gz JJZXWBHNIXYGJD-OAHLLOKOSA-N 1 0 334.803 3.189 20 5 EGBDRO CCO[C@@H]1C[C@H]([N@H+](C)Cn2ncc3ccc([N+](=O)[O-])cc32)C12CCC2 ZINC000763236614 1301854872 /nfs/dbraw/zinc/85/48/72/1301854872.db2.gz RIDDVUKXOFNLHE-DLBZAZTESA-N 1 0 344.415 3.182 20 5 EGBDRO Cc1nc(CC[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cs1 ZINC000764827247 1302143259 /nfs/dbraw/zinc/14/32/59/1302143259.db2.gz LHETWMOEIIEWHG-UHFFFAOYSA-N 1 0 346.456 3.161 20 5 EGBDRO CC[C@@H]([NH2+]CCNC(=O)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000765312325 1302245947 /nfs/dbraw/zinc/24/59/47/1302245947.db2.gz ZNZJBOKRQUGOIZ-QGZVFWFLSA-N 1 0 345.374 3.205 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3CCCC34OCCO4)o2)cc1 ZINC000883178843 1302286632 /nfs/dbraw/zinc/28/66/32/1302286632.db2.gz GJRXKCNTAJTARO-QGZVFWFLSA-N 1 0 344.367 3.240 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H]2COc3ccc(Cl)cc32)cc1 ZINC000765848165 1302339191 /nfs/dbraw/zinc/33/91/91/1302339191.db2.gz GSJSUZRATSHBSY-CABCVRRESA-N 1 0 334.759 3.005 20 5 EGBDRO CC[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(OC)cc1 ZINC000765850296 1302340152 /nfs/dbraw/zinc/34/01/52/1302340152.db2.gz WXLKAGREZSOPAD-ROUUACIJSA-N 1 0 330.384 3.378 20 5 EGBDRO C[C@H]1CN(c2cc[nH+]cc2)CCN1c1ccc([N+](=O)[O-])c2cnccc21 ZINC000884855252 1303000892 /nfs/dbraw/zinc/00/08/92/1303000892.db2.gz AVLLSUDTGUXKBB-AWEZNQCLSA-N 1 0 349.394 3.253 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1C(=O)OCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000769070335 1303040898 /nfs/dbraw/zinc/04/08/98/1303040898.db2.gz RIMSAALOZJYIFT-UHFFFAOYSA-N 1 0 346.358 3.331 20 5 EGBDRO Cn1ccnc1[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000770003345 1303205379 /nfs/dbraw/zinc/20/53/79/1303205379.db2.gz QYZPLARGVAQKFC-LBPRGKRZSA-N 1 0 334.807 3.361 20 5 EGBDRO CC(C)[N@@H+]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000770008140 1303206741 /nfs/dbraw/zinc/20/67/41/1303206741.db2.gz JVZJEPXBCIWISG-UHFFFAOYSA-N 1 0 340.811 3.196 20 5 EGBDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(Cc2cccnc2[N+](=O)[O-])C1 ZINC000886010978 1303317409 /nfs/dbraw/zinc/31/74/09/1303317409.db2.gz TZTWIMZATHVHBE-JKSUJKDBSA-N 1 0 332.448 3.076 20 5 EGBDRO CC[C@H]1CC[C@@H](C)[N@@H+]1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000772358002 1303523549 /nfs/dbraw/zinc/52/35/49/1303523549.db2.gz VKCZFKAAIFLQDE-PWSUYJOCSA-N 1 0 325.796 3.450 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H](CO)C3CCCCC3)CC2)cc1 ZINC000773047437 1303614548 /nfs/dbraw/zinc/61/45/48/1303614548.db2.gz UYBKMPUPMSKQDG-IBGZPJMESA-N 1 0 347.459 3.094 20 5 EGBDRO CN(CC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)C(=O)OC(C)(C)C ZINC000774170066 1303782996 /nfs/dbraw/zinc/78/29/96/1303782996.db2.gz UXAYGBBZVSWHKT-INIZCTEOSA-N 1 0 349.431 3.429 20 5 EGBDRO CC(C)(C)SCC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000774239196 1303789745 /nfs/dbraw/zinc/78/97/45/1303789745.db2.gz KAVPUXMLUUTWAS-OLZOCXBDSA-N 1 0 326.466 3.396 20 5 EGBDRO COCC[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H]1CC[C@H](C)C1 ZINC000775115968 1303911483 /nfs/dbraw/zinc/91/14/83/1303911483.db2.gz RDZFUGVWOBDEJP-GXTWGEPZSA-N 1 0 337.376 3.140 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCCO[C@@H](c3ccccc3)C2)cc1 ZINC000776276533 1304126120 /nfs/dbraw/zinc/12/61/20/1304126120.db2.gz JKGXURMZQPSJGK-RBUKOAKNSA-N 1 0 342.395 3.092 20 5 EGBDRO CN(CCCC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000776279493 1304127714 /nfs/dbraw/zinc/12/77/14/1304127714.db2.gz XSLDXSICRZQEPZ-LJQANCHMSA-N 1 0 343.427 3.134 20 5 EGBDRO CC(C)([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)c(F)c1 ZINC000776604578 1304179098 /nfs/dbraw/zinc/17/90/98/1304179098.db2.gz CWJNYRRFMNXBIB-INIZCTEOSA-N 1 0 336.338 3.431 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccc(CF)cc3)CC2)cc1 ZINC000777539473 1304313020 /nfs/dbraw/zinc/31/30/20/1304313020.db2.gz SGZOIOMTNVTUAV-UHFFFAOYSA-N 1 0 329.375 3.387 20 5 EGBDRO CC(C)[C@H](Cc1ccccc1)[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000779027646 1304521215 /nfs/dbraw/zinc/52/12/15/1304521215.db2.gz QCOWTMPJBNZOLV-KRWDZBQOSA-N 1 0 341.411 3.390 20 5 EGBDRO CCC[N@H+](Cn1cc([N+](=O)[O-])c(C)n1)[C@H]1CCc2ccccc2C1 ZINC000779859858 1304616137 /nfs/dbraw/zinc/61/61/37/1304616137.db2.gz YUEMHJZQQCEWLY-KRWDZBQOSA-N 1 0 328.416 3.327 20 5 EGBDRO COc1c(O)ccc(CN2CCc3sccc3[C@@H]2C)c1[N+](=O)[O-] ZINC000891522303 1305078029 /nfs/dbraw/zinc/07/80/29/1305078029.db2.gz KNEYBLVDCRUYTP-JTQLQIEISA-N 1 0 334.397 3.490 20 5 EGBDRO COc1cc(C[NH2+][C@@H](C)COc2ccccc2)c([N+](=O)[O-])cc1OC ZINC000892695111 1305512596 /nfs/dbraw/zinc/51/25/96/1305512596.db2.gz FUYQTOSMJPCUBD-ZDUSSCGKSA-N 1 0 346.383 3.169 20 5 EGBDRO O=C(OCc1cc(F)ccc1[N+](=O)[O-])[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000786882396 1305645888 /nfs/dbraw/zinc/64/58/88/1305645888.db2.gz VUWQLOJOBQWCHJ-INIZCTEOSA-N 1 0 336.363 3.184 20 5 EGBDRO COc1c(O)ccc(C[NH2+]C[C@H](C)Oc2ccc(C)cc2)c1[N+](=O)[O-] ZINC000893085872 1305698947 /nfs/dbraw/zinc/69/89/47/1305698947.db2.gz IERIXAWVMZCEPO-ZDUSSCGKSA-N 1 0 346.383 3.175 20 5 EGBDRO CO[C@H](C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C(F)(F)F ZINC000788597282 1305979366 /nfs/dbraw/zinc/97/93/66/1305979366.db2.gz WFBLPSPYXBHNLH-QWHCGFSZSA-N 1 0 332.322 3.484 20 5 EGBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000790577013 1306356500 /nfs/dbraw/zinc/35/65/00/1306356500.db2.gz RCLGIEZMNJWJAP-CQSZACIVSA-N 1 0 339.823 3.098 20 5 EGBDRO COc1c(O)ccc(CNc2cc3c(c[nH+]2)CCCC3)c1[N+](=O)[O-] ZINC000894572759 1308960538 /nfs/dbraw/zinc/96/05/38/1308960538.db2.gz NCUJTOBZYHPHTB-UHFFFAOYSA-N 1 0 329.356 3.195 20 5 EGBDRO CCOC1(C)CC[NH+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)CC1 ZINC000793542800 1309399526 /nfs/dbraw/zinc/39/95/26/1309399526.db2.gz MLEPTYKHRDWTKL-UHFFFAOYSA-N 1 0 344.415 3.307 20 5 EGBDRO C[C@H](C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])CC1(C)OCCO1 ZINC000895701063 1309475176 /nfs/dbraw/zinc/47/51/76/1309475176.db2.gz HKPCXMRAPMJKQK-NSHDSACASA-N 1 0 328.796 3.127 20 5 EGBDRO CCOC(=O)c1cc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)[nH]c1C ZINC000896510966 1309893164 /nfs/dbraw/zinc/89/31/64/1309893164.db2.gz AOELXCBIBZHZPT-LLVKDONJSA-N 1 0 331.372 3.259 20 5 EGBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cccc2nsnc21 ZINC000796113165 1309909745 /nfs/dbraw/zinc/90/97/45/1309909745.db2.gz MMFJKYUFKXKKHW-UHFFFAOYSA-N 1 0 328.397 3.274 20 5 EGBDRO C[C@](O)(C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)c1cccc(F)c1 ZINC000896565333 1309917570 /nfs/dbraw/zinc/91/75/70/1309917570.db2.gz VUYKEVLPIHOOMN-INIZCTEOSA-N 1 0 338.766 3.385 20 5 EGBDRO CC[NH+](CC)CCCOC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000800097670 1310670391 /nfs/dbraw/zinc/67/03/91/1310670391.db2.gz XUTSTPCFKQOYFY-UHFFFAOYSA-N 1 0 349.431 3.084 20 5 EGBDRO O=C(Nc1nccc2c1cccc2[N+](=O)[O-])[C@@H]1CCN1C1CCCC1 ZINC000898462133 1310744707 /nfs/dbraw/zinc/74/47/07/1310744707.db2.gz MKYIPVMSRMIHJS-INIZCTEOSA-N 1 0 340.383 3.098 20 5 EGBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2cc(N)ccc2[N+](=O)[O-])C1 ZINC000800847594 1310818785 /nfs/dbraw/zinc/81/87/85/1310818785.db2.gz JHZZDVUMBAKDHR-CJNGLKHVSA-N 1 0 326.400 3.424 20 5 EGBDRO COc1ccccc1OCC[N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801512640 1310950279 /nfs/dbraw/zinc/95/02/79/1310950279.db2.gz LCJCWKJNZJWAJU-UHFFFAOYSA-N 1 0 334.347 3.253 20 5 EGBDRO COC(=O)[C@@H](C)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1ccccc1 ZINC000801523142 1310952988 /nfs/dbraw/zinc/95/29/88/1310952988.db2.gz CKTSMGOVPMLRIA-YVEFUNNKSA-N 1 0 346.358 3.374 20 5 EGBDRO COc1cc(C[NH2+]C[C@]2(C)CC2(Cl)Cl)c([N+](=O)[O-])cc1OC ZINC000824766740 1320283660 /nfs/dbraw/zinc/28/36/60/1320283660.db2.gz WXQBVDSISUBOEW-ZDUSSCGKSA-N 1 0 349.214 3.286 20 5 EGBDRO Cc1cc(Cl)c(C(=O)NC(C)(C)CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000839412666 1320915437 /nfs/dbraw/zinc/91/54/37/1320915437.db2.gz QMPXJZNGVRFCKO-UHFFFAOYSA-N 1 0 341.839 3.407 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)cc1Cl ZINC000839615609 1320945450 /nfs/dbraw/zinc/94/54/50/1320945450.db2.gz KOGQOVZDOUWQBJ-LBPRGKRZSA-N 1 0 339.823 3.159 20 5 EGBDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000929399798 1328588554 /nfs/dbraw/zinc/58/85/54/1328588554.db2.gz VCIALMAWVNJNOY-OLMNPRSZSA-N 1 0 345.443 3.079 20 5 EGBDRO O=C(NCCC[NH+]1CCCCCC1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000929471942 1328606625 /nfs/dbraw/zinc/60/66/25/1328606625.db2.gz ZXWQYUVMOGPEEX-QZTJIDSGSA-N 1 0 345.443 3.081 20 5 EGBDRO C[C@H](Nc1ccc([N+](=O)[O-])c2nonc21)[C@H](c1ccccc1)[NH+](C)C ZINC000804680027 1317273749 /nfs/dbraw/zinc/27/37/49/1317273749.db2.gz SYGLDSYCWXYWKJ-APPDUMDISA-N 1 0 341.371 3.234 20 5 EGBDRO CCN(C)C(=O)OC[C@H]1CCCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000805760198 1317417984 /nfs/dbraw/zinc/41/79/84/1317417984.db2.gz AKJWPHRGEILSFQ-QGZVFWFLSA-N 1 0 349.431 3.080 20 5 EGBDRO CC1(C)C(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)C1(C)C ZINC001020053647 1317520591 /nfs/dbraw/zinc/52/05/91/1317520591.db2.gz QAONYBPXVORFHO-HDJSIYSDSA-N 1 0 345.443 3.014 20 5 EGBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])C1(NC(=O)OC(C)(C)C)CC1 ZINC000903103314 1317653196 /nfs/dbraw/zinc/65/31/96/1317653196.db2.gz GPJDPYLYWJVCSY-ZDUSSCGKSA-N 1 0 349.431 3.173 20 5 EGBDRO CN(C)c1cc[nH+]c(CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000903198337 1317672311 /nfs/dbraw/zinc/67/23/11/1317672311.db2.gz JBFDMWVDRKNZGX-GOSISDBHSA-N 1 0 326.400 3.223 20 5 EGBDRO CC(C)c1ccc(C[NH2+][C@H]2COc3ccccc3[C@@H]2O)cc1[N+](=O)[O-] ZINC000808454104 1317680010 /nfs/dbraw/zinc/68/00/10/1317680010.db2.gz MDBRGOWILBWFQM-LPHOPBHVSA-N 1 0 342.395 3.302 20 5 EGBDRO C[C@@](O)(C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1cccc(F)c1 ZINC000903310151 1317686406 /nfs/dbraw/zinc/68/64/06/1317686406.db2.gz XVQJSFRMFKJTPP-SJLPKXTDSA-N 1 0 330.359 3.219 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+][C@H]1Cc2ccccc2[C@@H]1O)C1CC1 ZINC000903440300 1317699742 /nfs/dbraw/zinc/69/97/42/1317699742.db2.gz NLJCRGRFNZFEHS-HBFSDRIKSA-N 1 0 338.407 3.164 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCOC1CCSCC1)CCC2 ZINC000903446840 1317701516 /nfs/dbraw/zinc/70/15/16/1317701516.db2.gz VLFTTXNKYDUSLV-QGZVFWFLSA-N 1 0 336.457 3.474 20 5 EGBDRO [NH3+]CCN(Cc1c[nH]nc1-c1cccs1)c1ccc([N+](=O)[O-])cc1 ZINC000809734755 1317882723 /nfs/dbraw/zinc/88/27/23/1317882723.db2.gz KPGZXBXSEKHQOJ-UHFFFAOYSA-N 1 0 343.412 3.012 20 5 EGBDRO [NH3+]CCN(Cc1cc(Cl)cc2c1OCC2)c1ccc([N+](=O)[O-])cc1 ZINC000809735031 1317883485 /nfs/dbraw/zinc/88/34/85/1317883485.db2.gz QKPAECAHEJQBEZ-UHFFFAOYSA-N 1 0 347.802 3.148 20 5 EGBDRO C[NH+](C)CCN(Cc1ccc(Cl)c([N+](=O)[O-])c1)Cc1ccccn1 ZINC000809740628 1317885559 /nfs/dbraw/zinc/88/55/59/1317885559.db2.gz HBGHCNHSCLKNLA-UHFFFAOYSA-N 1 0 348.834 3.207 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCC2CCC(F)(F)CC2)c1 ZINC000905679758 1317980240 /nfs/dbraw/zinc/98/02/40/1317980240.db2.gz SLCZIBNSBXIXIW-HNNXBMFYSA-N 1 0 328.359 3.433 20 5 EGBDRO CNc1c(C(=O)Nc2ccc(C[NH+](C)C)cc2C)cccc1[N+](=O)[O-] ZINC000909599558 1318498133 /nfs/dbraw/zinc/49/81/33/1318498133.db2.gz ABUDMPCNAROCIT-UHFFFAOYSA-N 1 0 342.399 3.259 20 5 EGBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)C1=CCCCCC1 ZINC001022007344 1318767008 /nfs/dbraw/zinc/76/70/08/1318767008.db2.gz UTQCZAKEXHHLLL-CALCHBBNSA-N 1 0 343.427 3.222 20 5 EGBDRO C[N@H+](CCCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000912927187 1318954473 /nfs/dbraw/zinc/95/44/73/1318954473.db2.gz DLXXWRJUZMLFAX-JLHYYAGUSA-N 1 0 345.443 3.379 20 5 EGBDRO O=C(OCc1cccc([N+](=O)[O-])c1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000815446422 1318986135 /nfs/dbraw/zinc/98/61/35/1318986135.db2.gz VWBYDZAVZIJYPB-KRWDZBQOSA-N 1 0 332.400 3.435 20 5 EGBDRO C[C@H]([NH2+]C[C@H](C)N(C)c1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815559841 1319016360 /nfs/dbraw/zinc/01/63/60/1319016360.db2.gz RCMCHWGLWWZGSA-KBPBESRZSA-N 1 0 328.416 3.353 20 5 EGBDRO C[C@@H]([NH2+]C[C@H](C)N(C)c1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815559843 1319016463 /nfs/dbraw/zinc/01/64/63/1319016463.db2.gz RCMCHWGLWWZGSA-UONOGXRCSA-N 1 0 328.416 3.353 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCCc2cc(C[NH3+])ccc21 ZINC000818553618 1319557863 /nfs/dbraw/zinc/55/78/63/1319557863.db2.gz GYRBCNZNAYKONR-UHFFFAOYSA-N 1 0 339.395 3.263 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H](c2ccccc2)[C@@H]2CCCO2)c1 ZINC000819001353 1319610731 /nfs/dbraw/zinc/61/07/31/1319610731.db2.gz LNRGGBSIWBXEOQ-QYZOEREBSA-N 1 0 342.395 3.138 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCc2ccc(F)cc2Cl)c1 ZINC000819070605 1319626283 /nfs/dbraw/zinc/62/62/83/1319626283.db2.gz XXACPOSPXJDCTA-INIZCTEOSA-N 1 0 338.766 3.253 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CC2(Cc3ccccc3)CC2)c1 ZINC000819179388 1319658733 /nfs/dbraw/zinc/65/87/33/1319658733.db2.gz AFZWGOVZIWANCL-GOSISDBHSA-N 1 0 326.396 3.241 20 5 EGBDRO C[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000916568506 1319673986 /nfs/dbraw/zinc/67/39/86/1319673986.db2.gz HVBAPPSSUAYAAP-JQWIXIFHSA-N 1 0 325.796 3.355 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2CCO[C@H](c3ccccc3)C2)c1 ZINC000819236850 1319678228 /nfs/dbraw/zinc/67/82/28/1319678228.db2.gz XVLSUOULHOXZBE-QRQLOZEOSA-N 1 0 342.395 3.138 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H]2C[C@H]2c2cccc(Cl)c2)cc1 ZINC000819281384 1319687818 /nfs/dbraw/zinc/68/78/18/1319687818.db2.gz JBUNMKZHFOQCGC-BBWFWOEESA-N 1 0 332.787 3.427 20 5 EGBDRO C[N@@H+]1CCCC[C@@H]1CCOC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000821951244 1320043470 /nfs/dbraw/zinc/04/34/70/1320043470.db2.gz XCKIYAPBLWPBJB-GFCCVEGCSA-N 1 0 326.780 3.279 20 5 EGBDRO CO[C@@H]1CC[N@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)CC1(C)C ZINC000840124949 1321034339 /nfs/dbraw/zinc/03/43/39/1321034339.db2.gz NPHHYMYDLNLVRT-QGZVFWFLSA-N 1 0 344.415 3.163 20 5 EGBDRO CC(C)C[C@@](C)(C[NH3+])NC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841104257 1321218766 /nfs/dbraw/zinc/21/87/66/1321218766.db2.gz WAIPPYKOMJAOIC-AWEZNQCLSA-N 1 0 328.800 3.133 20 5 EGBDRO COc1cc(NCc2ccccc2[N+](=O)[O-])ccc1OCC[NH+](C)C ZINC000841894372 1321328168 /nfs/dbraw/zinc/32/81/68/1321328168.db2.gz YLQOCYKNNHVZAG-UHFFFAOYSA-N 1 0 345.399 3.156 20 5 EGBDRO CC(C)[N@@H+]1CCC[C@H](COC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000842834172 1321439001 /nfs/dbraw/zinc/43/90/01/1321439001.db2.gz RGOQPYIOSOEWCO-GJZGRUSLSA-N 1 0 334.416 3.362 20 5 EGBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)c1nc(C2CC[NH2+]CC2)no1 ZINC000843136599 1321475808 /nfs/dbraw/zinc/47/58/08/1321475808.db2.gz HQZVVJKATAKQLC-SNVBAGLBSA-N 1 0 334.401 3.298 20 5 EGBDRO CC(C)[C@H]([NH3+])c1noc(-c2csc(-c3ccc([N+](=O)[O-])cc3)n2)n1 ZINC000843150384 1321478459 /nfs/dbraw/zinc/47/84/59/1321478459.db2.gz JZXRFONSGRDMOK-LBPRGKRZSA-N 1 0 345.384 3.424 20 5 EGBDRO CC(C)[C@@H]([NH3+])c1noc([C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000843149166 1321478622 /nfs/dbraw/zinc/47/86/22/1321478622.db2.gz AXLSDSAXZHZLDC-QPUJVOFHSA-N 1 0 340.767 3.427 20 5 EGBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000843804092 1321549035 /nfs/dbraw/zinc/54/90/35/1321549035.db2.gz DXINMNKUCWAMBE-AWEZNQCLSA-N 1 0 349.406 3.133 20 5 EGBDRO CC(C)(C)[N@@H+]1CC[C@H]1COC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000845730466 1321736695 /nfs/dbraw/zinc/73/66/95/1321736695.db2.gz NYJXBMKLKQRGQO-HRCADAONSA-N 1 0 332.400 3.114 20 5 EGBDRO CSc1ccc([N+](=O)[O-])c(C(=O)OC[C@@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC000845739659 1321740036 /nfs/dbraw/zinc/74/00/36/1321740036.db2.gz UWPDUYIMGWMFQW-NSHDSACASA-N 1 0 338.429 3.346 20 5 EGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@@]1(O)CCCc2ccccc21 ZINC000848529628 1321970455 /nfs/dbraw/zinc/97/04/55/1321970455.db2.gz ZKNMABWRHXDZSB-QUCCMNQESA-N 1 0 338.407 3.396 20 5 EGBDRO CCc1ccc(NC(=[NH2+])NCc2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000849065025 1322064209 /nfs/dbraw/zinc/06/42/09/1322064209.db2.gz JSYOECHIRNXDHR-UHFFFAOYSA-N 1 0 328.372 3.302 20 5 EGBDRO C[C@H]([NH2+]C[C@@H](O)c1cc(F)c(F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000850583991 1322274464 /nfs/dbraw/zinc/27/44/64/1322274464.db2.gz PMCSECBBLVFQRP-BJOHPYRUSA-N 1 0 340.301 3.396 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CC2OCCCO2)s1 ZINC000922277337 1322491711 /nfs/dbraw/zinc/49/17/11/1322491711.db2.gz MYPRUXZIWZFDON-UHFFFAOYSA-N 1 0 334.397 3.176 20 5 EGBDRO CC[C@@H]1CCC[N@H+](Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)CC1 ZINC000853498393 1325105394 /nfs/dbraw/zinc/10/53/94/1325105394.db2.gz JAHLFCJOWNOCMZ-CQSZACIVSA-N 1 0 329.404 3.323 20 5 EGBDRO CC(=O)c1cc([N+](=O)[O-])ccc1NCC1CC[NH+](CC2CC2)CC1 ZINC000853984108 1325197385 /nfs/dbraw/zinc/19/73/85/1325197385.db2.gz DHUIMCNFSCVMEA-UHFFFAOYSA-N 1 0 331.416 3.331 20 5 EGBDRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000855158713 1325356778 /nfs/dbraw/zinc/35/67/78/1325356778.db2.gz HYJVZJHPYKDMEZ-LLVKDONJSA-N 1 0 339.823 3.098 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](C)CC1(C)OCCO1 ZINC000865674142 1329728162 /nfs/dbraw/zinc/72/81/62/1329728162.db2.gz ORKGQABNVMUCCM-HNRFISLBSA-N 1 0 334.416 3.377 20 5 EGBDRO C[C@@H]([NH2+]CC(=O)N([C@@H](C)C1CC1)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000932179082 1329791365 /nfs/dbraw/zinc/79/13/65/1329791365.db2.gz CWXXURSBPCZUDQ-OLZOCXBDSA-N 1 0 331.416 3.035 20 5 EGBDRO C[C@@H]([NH2+][C@@H](C)C(=O)N1C[C@H](C)C[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000932182078 1329791702 /nfs/dbraw/zinc/79/17/02/1329791702.db2.gz IOKLZAQIQPMYFK-TUVASFSCSA-N 1 0 333.432 3.138 20 5 EGBDRO CCN(CCC[NH+]1CCCC1)C(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000935591946 1330062664 /nfs/dbraw/zinc/06/26/64/1330062664.db2.gz SNKGZZSZBINAKN-ROUUACIJSA-N 1 0 345.443 3.033 20 5 EGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCCOCC(F)(F)F ZINC000866230059 1330080937 /nfs/dbraw/zinc/08/09/37/1330080937.db2.gz WEBATPDMEDPCKF-JTQLQIEISA-N 1 0 338.301 3.224 20 5 EGBDRO Cc1noc(C)c1C[C@H](C)[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866269671 1330088168 /nfs/dbraw/zinc/08/81/68/1330088168.db2.gz YAVBZHPTMDOZBL-MNOVXSKESA-N 1 0 335.379 3.491 20 5 EGBDRO Cc1noc(C)c1C[C@@H](C)[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866269670 1330088252 /nfs/dbraw/zinc/08/82/52/1330088252.db2.gz YAVBZHPTMDOZBL-GHMZBOCLSA-N 1 0 335.379 3.491 20 5 EGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H](C)[C@@H](O)Cc1ccccc1 ZINC000866310761 1330094429 /nfs/dbraw/zinc/09/44/29/1330094429.db2.gz VVDRTPIBJVFDAM-TYILLQQXSA-N 1 0 346.402 3.247 20 5 EGBDRO CC(C)c1nnc([C@@H](C)[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])[nH]1 ZINC000866312594 1330095051 /nfs/dbraw/zinc/09/50/51/1330095051.db2.gz OTRGMWXOBDCWPJ-WDEREUQCSA-N 1 0 335.383 3.257 20 5 EGBDRO Cc1ccccc1C[C@@H](CO)[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866347094 1330100066 /nfs/dbraw/zinc/10/00/66/1330100066.db2.gz ZZITZRLWEQXZRO-KDOFPFPSSA-N 1 0 346.402 3.167 20 5 EGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H](CCO)Cc1ccccc1 ZINC000866352792 1330101006 /nfs/dbraw/zinc/10/10/06/1330101006.db2.gz MDMZUTJGYHEGFT-RDTXWAMCSA-N 1 0 346.402 3.248 20 5 EGBDRO O=C(CC1CCC1)N[C@H]1CC[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001034614460 1342649292 /nfs/dbraw/zinc/64/92/92/1342649292.db2.gz QTABNZBFFCSQMB-QAQDUYKDSA-N 1 0 345.443 3.302 20 5 EGBDRO CC(C)(C)C(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001050386681 1348247075 /nfs/dbraw/zinc/24/70/75/1348247075.db2.gz OFSAIHVCUUFJSO-KOMQPUFPSA-N 1 0 347.459 3.406 20 5 EGBDRO CN(C(=O)C[N@@H+]1CC[C@@H]2CCCC[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC001324141137 1387547501 /nfs/dbraw/zinc/54/75/01/1387547501.db2.gz WQRSWXXSOGWLAM-GJZGRUSLSA-N 1 0 331.416 3.070 20 5 EGBDRO CC(C)(C)/C=C/C(=O)N1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001199848422 1369280813 /nfs/dbraw/zinc/28/08/13/1369280813.db2.gz YISZIRUMAAVLQZ-JXMROGBWSA-N 1 0 345.443 3.278 20 5 EGBDRO C[NH+](C)[C@H]1CCCC[C@@H]1Nc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC001116139373 1370845857 /nfs/dbraw/zinc/84/58/57/1370845857.db2.gz PQYGUQYVRQMBBY-RYUDHWBXSA-N 1 0 329.347 3.481 20 5 EGBDRO CS[C@H]1CC[C@@H]([N@H+](C)Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC001116145750 1370846688 /nfs/dbraw/zinc/84/66/88/1370846688.db2.gz LNEISYAVBXTUHS-HIFRSBDPSA-N 1 0 347.444 3.027 20 5 EGBDRO COc1cc(N2CC[NH+](C)CC2)ccc1Nc1ccccc1[N+](=O)[O-] ZINC001206164756 1370977865 /nfs/dbraw/zinc/97/78/65/1370977865.db2.gz PXYCPWVGFBXCNB-UHFFFAOYSA-N 1 0 342.399 3.099 20 5 EGBDRO C[NH+]1CCN(c2cccc(F)c2Nc2ccccc2[N+](=O)[O-])CC1 ZINC001206180742 1370983097 /nfs/dbraw/zinc/98/30/97/1370983097.db2.gz VNLQQOGCPJLYME-UHFFFAOYSA-N 1 0 330.363 3.229 20 5 EGBDRO Cc1c(C[NH2+]C[C@@]2(O)CCC[C@H](C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC001119237794 1371288374 /nfs/dbraw/zinc/28/83/74/1371288374.db2.gz MHXSOWLUKJMVSH-DZGCQCFKSA-N 1 0 346.349 3.476 20 5 EGBDRO C[C@@H]1CC[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)[C@@H](n2cncn2)C1 ZINC001326284595 1388142159 /nfs/dbraw/zinc/14/21/59/1388142159.db2.gz ZVIDTPAIZKFADZ-RLCCDNCMSA-N 1 0 349.822 3.359 20 5 EGBDRO C[C@H]1C[NH2+][C@@H](C)[C@H](C)N1C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC001122263416 1372216052 /nfs/dbraw/zinc/21/60/52/1372216052.db2.gz JHMVDEYGTWFZIZ-DCAQKATOSA-N 1 0 333.413 3.020 20 5 EGBDRO COc1ncc(Nc2ccc(OCCC[NH+](C)C)cc2)cc1[N+](=O)[O-] ZINC001210138775 1372279347 /nfs/dbraw/zinc/27/93/47/1372279347.db2.gz YTQYOPAHIAQDRU-UHFFFAOYSA-N 1 0 346.387 3.073 20 5 EGBDRO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2-c1cccc(=O)[nH]1 ZINC001212792381 1372772584 /nfs/dbraw/zinc/77/25/84/1372772584.db2.gz QDCILAZHQYGHAL-UHFFFAOYSA-N 1 0 346.390 3.345 20 5 EGBDRO C[C@@H](Oc1cc([N+](=O)[O-])c(F)cc1Br)C1CC[NH2+]CC1 ZINC001218002722 1373531955 /nfs/dbraw/zinc/53/19/55/1373531955.db2.gz RSUXWMINQVVNRK-MRVPVSSYSA-N 1 0 347.184 3.263 20 5 EGBDRO C[C@H](Oc1cc([N+](=O)[O-])c(Br)cc1F)C1CC[NH2+]CC1 ZINC001218005654 1373533997 /nfs/dbraw/zinc/53/39/97/1373533997.db2.gz LHTRISGWQSOHFA-QMMMGPOBSA-N 1 0 347.184 3.263 20 5 EGBDRO C[C@@H]1CC[NH2+]CC[C@H]1Oc1cc(Br)ccc1[N+](=O)[O-] ZINC001218025027 1373541506 /nfs/dbraw/zinc/54/15/06/1373541506.db2.gz COMXVFYCSPBDPQ-BXKDBHETSA-N 1 0 329.194 3.124 20 5 EGBDRO C[C@@H]1CC[NH2+]CC[C@H]1Oc1c(F)cc([N+](=O)[O-])cc1Br ZINC001218028078 1373542007 /nfs/dbraw/zinc/54/20/07/1373542007.db2.gz CKJLUGRAEONEPB-PRHODGIISA-N 1 0 347.184 3.263 20 5 EGBDRO Cc1cc(Br)c(O[C@H]2CC[NH2+]CC[C@@H]2C)cc1[N+](=O)[O-] ZINC001218031293 1373543206 /nfs/dbraw/zinc/54/32/06/1373543206.db2.gz NMIHGIKTQHFKCM-ZANVPECISA-N 1 0 343.221 3.433 20 5 EGBDRO Cc1cc(Br)cc([N+](=O)[O-])c1O[C@@H]1C[NH2+]CC[C@H]1C ZINC001218043093 1373546881 /nfs/dbraw/zinc/54/68/81/1373546881.db2.gz DWMCHBDEIBKVRY-PRHODGIISA-N 1 0 329.194 3.043 20 5 EGBDRO O=[N+]([O-])c1cccc(Br)c1O[C@H]1CCC[C@@]12CC[NH2+]C2 ZINC001218092609 1373558931 /nfs/dbraw/zinc/55/89/31/1373558931.db2.gz ILSBAYYAWOSZAT-JSGCOSHPSA-N 1 0 341.205 3.268 20 5 EGBDRO O=[N+]([O-])c1cc(OC(F)(F)F)ccc1O[C@@H]1CCC[C@]12CC[NH2+]C2 ZINC001218096891 1373560121 /nfs/dbraw/zinc/56/01/21/1373560121.db2.gz VFKKDHLQLVQQFT-ZIAGYGMSSA-N 1 0 346.305 3.404 20 5 EGBDRO O=[N+]([O-])c1cccc(OC2CC3(C2)CC[NH2+]CC3)c1Br ZINC001218102080 1373561583 /nfs/dbraw/zinc/56/15/83/1373561583.db2.gz GYJGGWMHRZKJAC-UHFFFAOYSA-N 1 0 341.205 3.268 20 5 EGBDRO C[C@H](Oc1ccc2c(c1)C[NH2+]C2)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001218215683 1373579697 /nfs/dbraw/zinc/57/96/97/1373579697.db2.gz UXCFFIKNXSPSAS-JTQLQIEISA-N 1 0 328.324 3.067 20 5 EGBDRO O=[N+]([O-])c1cc2nc(OC3CC4(C3)CCC[NH2+]C4)[nH]c2cc1Cl ZINC001218254855 1373584578 /nfs/dbraw/zinc/58/45/78/1373584578.db2.gz KESJVVAIRNSNQU-UHFFFAOYSA-N 1 0 336.779 3.036 20 5 EGBDRO Cc1c(Cl)cc([N+](=O)[O-])c(O[C@H]2C[NH2+][C@H]2C)c1Br ZINC001218386002 1373604381 /nfs/dbraw/zinc/60/43/81/1373604381.db2.gz JMAMNSIROWJMER-RCOVLWMOSA-N 1 0 335.585 3.058 20 5 EGBDRO C[C@H]1CC[C@H](Oc2cc(C(=O)OC(C)(C)C)ccc2[N+](=O)[O-])C[NH2+]1 ZINC001218403639 1373608112 /nfs/dbraw/zinc/60/81/12/1373608112.db2.gz XYKJQSWJWDKAQA-AAEUAGOBSA-N 1 0 336.388 3.069 20 5 EGBDRO Cc1cc(Br)cc([N+](=O)[O-])c1O[C@@H]1C[NH2+]CCC12CC2 ZINC001218403437 1373608140 /nfs/dbraw/zinc/60/81/40/1373608140.db2.gz IETFSBMNKOXRGR-GFCCVEGCSA-N 1 0 341.205 3.187 20 5 EGBDRO Cc1cc(O[C@H]2CC[C@H](C)[NH2+]C2)c([N+](=O)[O-])cc1Br ZINC001218401454 1373608331 /nfs/dbraw/zinc/60/83/31/1373608331.db2.gz ZKSUNDWWIZVTFO-UWVGGRQHSA-N 1 0 329.194 3.185 20 5 EGBDRO Cc1cc(Br)c(O[C@@H]2CC[C@@H]3C[NH2+]C[C@H]23)cc1[N+](=O)[O-] ZINC001218464674 1373619155 /nfs/dbraw/zinc/61/91/55/1373619155.db2.gz HSWSKNRPXCDGCR-GBIKHYSHSA-N 1 0 341.205 3.043 20 5 EGBDRO CCCc1ccccc1C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001131118884 1373645347 /nfs/dbraw/zinc/64/53/47/1373645347.db2.gz RGRDIXRXAUWQLZ-UHFFFAOYSA-N 1 0 341.411 3.067 20 5 EGBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)C1CCCCCCC1 ZINC001131145612 1373652120 /nfs/dbraw/zinc/65/21/20/1373652120.db2.gz CIMZDZSIJNBBJM-UHFFFAOYSA-N 1 0 339.461 3.223 20 5 EGBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Oc1ccc([N+](=O)[O-])cn1 ZINC001225634528 1375136351 /nfs/dbraw/zinc/13/63/51/1375136351.db2.gz ZVKOCVWICCVLTI-WMLDXEAASA-N 1 0 327.384 3.279 20 5 EGBDRO COc1cc(O[C@H]2CCC[N@H+](Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC001226575556 1375284774 /nfs/dbraw/zinc/28/47/74/1375284774.db2.gz DPWXUSYRVFQJOY-HNNXBMFYSA-N 1 0 343.383 3.042 20 5 EGBDRO CC(C)(C)/C=C\C(=O)NC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001226633330 1375296206 /nfs/dbraw/zinc/29/62/06/1375296206.db2.gz QKKQNZLDCDOEOP-FLIBITNWSA-N 1 0 345.443 3.278 20 5 EGBDRO O=[N+]([O-])c1cc(F)cnc1O[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001226751606 1375324941 /nfs/dbraw/zinc/32/49/41/1375324941.db2.gz MSYDTOQLSKHXDL-OAHLLOKOSA-N 1 0 331.347 3.172 20 5 EGBDRO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1Oc1ncc(F)cc1[N+](=O)[O-] ZINC001226755930 1375325331 /nfs/dbraw/zinc/32/53/31/1375325331.db2.gz NHRZLKJEMSTTRF-CXAGYDPISA-N 1 0 345.374 3.418 20 5 EGBDRO O=[N+]([O-])c1cnc(OC2CCN(c3cc[nH+]cc3)CC2)cc1Cl ZINC001226915986 1375356370 /nfs/dbraw/zinc/35/63/70/1375356370.db2.gz USSPJJBKBDGPCO-UHFFFAOYSA-N 1 0 334.763 3.086 20 5 EGBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ncnc3cc(Cl)c([N+](=O)[O-])cc31)C2 ZINC001227364101 1375422746 /nfs/dbraw/zinc/42/27/46/1375422746.db2.gz KKRGNGAFRKSCRN-URLYPYJESA-N 1 0 348.790 3.195 20 5 EGBDRO COc1cccc([N+](=O)[O-])c1O[C@@H]1CCN([C@H](C)c2ccccn2)C1 ZINC001227702681 1375463318 /nfs/dbraw/zinc/46/33/18/1375463318.db2.gz YMVXUOLAFYTGON-ZIAGYGMSSA-N 1 0 343.383 3.213 20 5 EGBDRO C[N@@H+]1CCC[C@H](Oc2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC001229145566 1375774117 /nfs/dbraw/zinc/77/41/17/1375774117.db2.gz LMLLSRBXMYZLJQ-LBPRGKRZSA-N 1 0 329.194 3.220 20 5 EGBDRO Cc1cccc(Cl)c1C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001133314376 1375916771 /nfs/dbraw/zinc/91/67/71/1375916771.db2.gz ITKZDXFIBCCRAO-UHFFFAOYSA-N 1 0 347.802 3.076 20 5 EGBDRO O=[N+]([O-])c1nc(Cl)ccc1O[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001230873228 1376172759 /nfs/dbraw/zinc/17/27/59/1376172759.db2.gz XCANYAFVROUYQI-CYBMUJFWSA-N 1 0 333.775 3.297 20 5 EGBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(C(F)F)cc1 ZINC001135385367 1377066541 /nfs/dbraw/zinc/06/65/41/1377066541.db2.gz ZKGHLWRQKBUWCD-UHFFFAOYSA-N 1 0 349.337 3.052 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(C[NH2+]C[C@@H](O)C2CC2)o1 ZINC001327384218 1388509800 /nfs/dbraw/zinc/50/98/00/1388509800.db2.gz KXULRWMMFPSNDW-OAHLLOKOSA-N 1 0 336.775 3.369 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC001327440240 1388519555 /nfs/dbraw/zinc/51/95/55/1388519555.db2.gz PTNJVKXQEWQYIL-UHFFFAOYSA-N 1 0 346.431 3.155 20 5 EGBDRO COC(=O)[C@H]1C[N@H+](Cc2c3ccccc3cc3ccccc32)CCN1C ZINC001141728280 1378366628 /nfs/dbraw/zinc/36/66/28/1378366628.db2.gz OZAOPXQGXDHGTF-OAQYLSRUSA-N 1 0 348.446 3.282 20 5 EGBDRO CC(C)[N@@H+]1CC[C@@H](CNc2ncnc3c(Cl)cc([N+](=O)[O-])cc23)C1 ZINC001327643277 1388572421 /nfs/dbraw/zinc/57/24/21/1388572421.db2.gz QDGDIDKTASKANP-NSHDSACASA-N 1 0 349.822 3.334 20 5 EGBDRO C[NH+](C)C[C@@H]1COCCN1C(=O)c1c2ccccc2cc2ccccc21 ZINC001153490059 1380084530 /nfs/dbraw/zinc/08/45/30/1380084530.db2.gz COWIHTDAGKHBNT-GOSISDBHSA-N 1 0 348.446 3.396 20 5 EGBDRO CC(C)(C)[NH+]1CCN(C(=O)c2ccnc3c2ccc2cccnc23)CC1 ZINC001155810767 1380494432 /nfs/dbraw/zinc/49/44/32/1380494432.db2.gz MPXLSAMZZRNURA-UHFFFAOYSA-N 1 0 348.450 3.339 20 5 EGBDRO C[N@@H+]1CCC[C@@H](CCNc2cc3ncnc(Cl)c3cc2[N+](=O)[O-])C1 ZINC001156379604 1380567877 /nfs/dbraw/zinc/56/78/77/1380567877.db2.gz WETUEVOZKMKCQQ-NSHDSACASA-N 1 0 349.822 3.335 20 5 EGBDRO CCCC[NH+](CCCC)CCNc1cc([N+](=O)[O-])cc(Cl)[n+]1[O-] ZINC001156904868 1380722716 /nfs/dbraw/zinc/72/27/16/1380722716.db2.gz HNUTWXJKAOUHLI-UHFFFAOYSA-N 1 0 344.843 3.196 20 5 EGBDRO C[C@@H]1CCCC[N@@H+]1CCCNc1cnc2cc([N+](=O)[O-])ccc2n1 ZINC001156927529 1380730795 /nfs/dbraw/zinc/73/07/95/1380730795.db2.gz BHTXLYUGIGWLBL-CYBMUJFWSA-N 1 0 329.404 3.214 20 5 EGBDRO Cc1nc(Cl)c([N+](=O)[O-])c(NCCC[N@H+]2CCCC[C@H]2C)n1 ZINC001156928396 1380731363 /nfs/dbraw/zinc/73/13/63/1380731363.db2.gz KEEJUKLRRZIKMN-SNVBAGLBSA-N 1 0 327.816 3.023 20 5 EGBDRO C[C@H]1CCCC[N@@H+]1CCCNc1cnc2ccc([N+](=O)[O-])cc2n1 ZINC001156928940 1380731932 /nfs/dbraw/zinc/73/19/32/1380731932.db2.gz PNVXZELTHDTTDG-ZDUSSCGKSA-N 1 0 329.404 3.214 20 5 EGBDRO CC1(CC(=O)NCCC[NH2+]Cc2ccccc2[N+](=O)[O-])CCCC1 ZINC001157461861 1380910950 /nfs/dbraw/zinc/91/09/50/1380910950.db2.gz MMUVVLFQLRTESL-UHFFFAOYSA-N 1 0 333.432 3.161 20 5 EGBDRO O=[N+]([O-])c1cc2ccccc2nc1N1CC[NH2+][C@H](c2ccccc2)C1 ZINC001157764818 1381027463 /nfs/dbraw/zinc/02/74/63/1381027463.db2.gz GZKZPZRYNHUMLD-KRWDZBQOSA-N 1 0 334.379 3.294 20 5 EGBDRO C[NH+](C)[C@H]1CCCC[C@@H]1Nc1nc(Cl)nc2ccc([N+](=O)[O-])cc21 ZINC001157797655 1381036190 /nfs/dbraw/zinc/03/61/90/1381036190.db2.gz VQULRZBUEVYJES-KBPBESRZSA-N 1 0 349.822 3.476 20 5 EGBDRO CC1(C)C[C@@H](Nc2ncnc3ccc([N+](=O)[O-])cc32)C[C@@](C)(C[NH3+])C1 ZINC001158268729 1381179266 /nfs/dbraw/zinc/17/92/66/1381179266.db2.gz QSJBHYVHAAUXDW-KZULUSFZSA-N 1 0 343.431 3.494 20 5 EGBDRO C[NH+]1CCC(N(c2ccc3[nH]cc([N+](=O)[O-])c3n2)C2CCCC2)CC1 ZINC001158487476 1381265417 /nfs/dbraw/zinc/26/54/17/1381265417.db2.gz CESYYHQNWFRMFU-UHFFFAOYSA-N 1 0 343.431 3.314 20 5 EGBDRO O=[N+]([O-])c1cc(N2CCC3(CC2)[NH2+]Cc2ccccc23)nc2[nH]ccc21 ZINC001159030773 1381523442 /nfs/dbraw/zinc/52/34/42/1381523442.db2.gz BZHFOTMVIDYFGM-UHFFFAOYSA-N 1 0 349.394 3.070 20 5 EGBDRO Cc1c(Nc2ccc3c(c2)C[NH2+]CCO3)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001159796923 1381903053 /nfs/dbraw/zinc/90/30/53/1381903053.db2.gz PJLWCDFMSCTGTD-UHFFFAOYSA-N 1 0 344.327 3.037 20 5 EGBDRO Nc1ccccc1N(CC1CC[NH2+]CC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC001159895925 1381931149 /nfs/dbraw/zinc/93/11/49/1381931149.db2.gz KKOSQFNNDZSYSC-UHFFFAOYSA-N 1 0 344.390 3.454 20 5 EGBDRO [NH3+][C@@H]1CCc2c3ccccc3n(-c3cc(Cl)cc([N+](=O)[O-])n3)c2C1 ZINC001159948665 1381946339 /nfs/dbraw/zinc/94/63/39/1381946339.db2.gz XDBGDLRVJSNYEB-LLVKDONJSA-N 1 0 342.786 3.403 20 5 EGBDRO COc1ncc(Nc2ccc(CC3CC[NH2+]CC3)cc2)cc1[N+](=O)[O-] ZINC001160014775 1381969710 /nfs/dbraw/zinc/96/97/10/1381969710.db2.gz LPXNFAXSNQBBHB-UHFFFAOYSA-N 1 0 342.399 3.284 20 5 EGBDRO O=[N+]([O-])c1cccc(Nc2c(F)cccc2N2CC[NH2+]CC2)c1F ZINC001160058213 1381985833 /nfs/dbraw/zinc/98/58/33/1381985833.db2.gz XBJQUTFFKBGCKP-UHFFFAOYSA-N 1 0 334.326 3.026 20 5 EGBDRO [NH3+][C@@H]1CCN(c2c(F)cccc2Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC001160116874 1382001992 /nfs/dbraw/zinc/00/19/92/1382001992.db2.gz QHVXOHUIKIEMHT-SNVBAGLBSA-N 1 0 334.326 3.154 20 5 EGBDRO COc1ccc(Nc2cccc(O[C@@H]3CCC[NH2+]C3)c2)cc1[N+](=O)[O-] ZINC001160213023 1382035594 /nfs/dbraw/zinc/03/55/94/1382035594.db2.gz YJNUZSGYZFYRQZ-MRXNPFEDSA-N 1 0 343.383 3.478 20 5 EGBDRO O=[N+]([O-])c1cccc2ccc(N[C@@H]3CC[NH2+]C[C@H]3C(F)(F)F)nc21 ZINC001160740511 1382183617 /nfs/dbraw/zinc/18/36/17/1382183617.db2.gz OTAGGNGLIATJMK-GHMZBOCLSA-N 1 0 340.305 3.095 20 5 EGBDRO O=[N+]([O-])c1ccc2c(ccnc2N[C@@H]2CC[NH2+]C[C@@H]2C(F)(F)F)c1 ZINC001160747974 1382185839 /nfs/dbraw/zinc/18/58/39/1382185839.db2.gz OUHYWQXPIPZKLS-QWHCGFSZSA-N 1 0 340.305 3.095 20 5 EGBDRO CC(C)(C[NH3+])c1cn(-c2nc(Cl)ncc2[N+](=O)[O-])c2ccccc12 ZINC001160842256 1382214644 /nfs/dbraw/zinc/21/46/44/1382214644.db2.gz DYGVQPYNRPNHOZ-UHFFFAOYSA-N 1 0 345.790 3.218 20 5 EGBDRO Cc1cc(-n2c(C[NH3+])cc3ccncc32)nc2ccc([N+](=O)[O-])cc12 ZINC001160958820 1382250868 /nfs/dbraw/zinc/25/08/68/1382250868.db2.gz AEHXSDXAHQWJIY-UHFFFAOYSA-N 1 0 333.351 3.249 20 5 EGBDRO [NH3+]Cc1cc2ccncc2n1-c1nc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001160959125 1382251388 /nfs/dbraw/zinc/25/13/88/1382251388.db2.gz HYGOTOHYQSMZFZ-UHFFFAOYSA-N 1 0 338.154 3.094 20 5 EGBDRO C[N@@H+]1CCC[C@@H]1CCNc1cc2ncnc(Cl)c2cc1[N+](=O)[O-] ZINC001160963746 1382253249 /nfs/dbraw/zinc/25/32/49/1382253249.db2.gz GSIGAFZPYHNINM-SNVBAGLBSA-N 1 0 335.795 3.088 20 5 EGBDRO O=[N+]([O-])c1cc(N[C@H]2CC[N@H+](CC3CCCC3)C2)nc2[nH]ccc21 ZINC001161186510 1382332784 /nfs/dbraw/zinc/33/27/84/1382332784.db2.gz NHIMPDLAEFLJES-ZDUSSCGKSA-N 1 0 329.404 3.148 20 5 EGBDRO [NH3+]CCN(c1ccc(F)cc1)c1nccc2cc([N+](=O)[O-])ccc21 ZINC001161883016 1382538418 /nfs/dbraw/zinc/53/84/18/1382538418.db2.gz WWKHZEWCFTUYIO-UHFFFAOYSA-N 1 0 326.331 3.379 20 5 EGBDRO C[C@H]1C[NH2+]CCC[C@@H]1CNc1ccc2cc(F)cc([N+](=O)[O-])c2n1 ZINC001162455890 1382761949 /nfs/dbraw/zinc/76/19/49/1382761949.db2.gz FYMHJFANGHGMFR-WCQYABFASA-N 1 0 332.379 3.330 20 5 EGBDRO C[C@@H]1C[NH2+]CCC[C@@H]1CNc1nc2cc([N+](=O)[O-])ccc2nc1Cl ZINC001162459260 1382762600 /nfs/dbraw/zinc/76/26/00/1382762600.db2.gz COGKCMKLCJROBL-GHMZBOCLSA-N 1 0 349.822 3.239 20 5 EGBDRO [NH3+]Cc1cccc(-c2cncn2-c2nccc3cc([N+](=O)[O-])ccc32)c1 ZINC001162568642 1382793461 /nfs/dbraw/zinc/79/34/61/1382793461.db2.gz JJFFZFXIULDFND-UHFFFAOYSA-N 1 0 345.362 3.454 20 5 EGBDRO O=[N+]([O-])c1cc2nc(Cl)ccc2cc1NC[C@@H]1CC[NH2+]C[C@@H]1F ZINC001162807958 1382880033 /nfs/dbraw/zinc/88/00/33/1382880033.db2.gz BFLCAEPPHUHOPF-QWRGUYRKSA-N 1 0 338.770 3.156 20 5 EGBDRO CC(C)N(c1ccc(-c2ccc([N+](=O)[O-])cc2)nn1)C(C)(C)C[NH3+] ZINC001163188708 1382987725 /nfs/dbraw/zinc/98/77/25/1382987725.db2.gz CQQYTAMSCOMFIX-UHFFFAOYSA-N 1 0 329.404 3.004 20 5 EGBDRO CC(C)[N@@H+]1CC[C@@H](Nc2ncnc3cccc([N+](=O)[O-])c32)[C@@H](C)C1 ZINC001163371463 1383035698 /nfs/dbraw/zinc/03/56/98/1383035698.db2.gz QULLNJYYUXZMQK-QWHCGFSZSA-N 1 0 329.404 3.069 20 5 EGBDRO CC(C)(C(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1)C1CCC1 ZINC001163425389 1383049751 /nfs/dbraw/zinc/04/97/51/1383049751.db2.gz SLPQBLURBGCMIC-UHFFFAOYSA-N 1 0 333.432 3.017 20 5 EGBDRO CC[N@@H+]1CCCN(c2ccc3c(ccc(Cl)c3[N+](=O)[O-])n2)CC1 ZINC001163775172 1383121013 /nfs/dbraw/zinc/12/10/13/1383121013.db2.gz UNYFHLPLOUGJEL-UHFFFAOYSA-N 1 0 334.807 3.328 20 5 EGBDRO O=C(CCC1CC1)NCCC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001163899626 1383134175 /nfs/dbraw/zinc/13/41/75/1383134175.db2.gz GSADIEXJDZBNMQ-UHFFFAOYSA-N 1 0 345.443 3.161 20 5 EGBDRO CC(C)(C)C(C)(C)C(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001163977753 1383142399 /nfs/dbraw/zinc/14/23/99/1383142399.db2.gz SKCSNCUHQNUTPI-UHFFFAOYSA-N 1 0 335.448 3.263 20 5 EGBDRO Cc1cc([N+](=O)[O-])cnc1N1C[C@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001165200771 1383246422 /nfs/dbraw/zinc/24/64/22/1383246422.db2.gz GOLNBDMQSDFBEU-HOTGVXAUSA-N 1 0 340.427 3.397 20 5 EGBDRO C[C@@H]1CN(c2cc([N+](=O)[O-])ccn2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC001165202730 1383248168 /nfs/dbraw/zinc/24/81/68/1383248168.db2.gz ZFYWACVNRWSJRE-CABCVRRESA-N 1 0 326.400 3.089 20 5 EGBDRO CCCCC1(C(=O)NCCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001165893829 1383358681 /nfs/dbraw/zinc/35/86/81/1383358681.db2.gz BLRSHRPPPBMFSF-UHFFFAOYSA-N 1 0 333.432 3.161 20 5 EGBDRO [NH3+]CCc1nccn1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC001166370066 1383416441 /nfs/dbraw/zinc/41/64/41/1383416441.db2.gz RYARNUVUGICDNS-UHFFFAOYSA-N 1 0 340.408 3.433 20 5 EGBDRO CC1(C(=O)NCCC2(C[NH2+]Cc3ccccc3[N+](=O)[O-])CC2)CCC1 ZINC001166613826 1383447008 /nfs/dbraw/zinc/44/70/08/1383447008.db2.gz MJLXMXJHILMKCH-UHFFFAOYSA-N 1 0 345.443 3.161 20 5 EGBDRO O=[N+]([O-])c1cc(NC[C@H](c2ccccc2)[NH+]2CCCC2)cnc1F ZINC001166911556 1383499249 /nfs/dbraw/zinc/49/92/49/1383499249.db2.gz WCJCPYZYFYHTKM-MRXNPFEDSA-N 1 0 330.363 3.378 20 5 EGBDRO CC(=O)Nc1ccc(N2C(C)(C)CC([NH3+])CC2(C)C)cc1[N+](=O)[O-] ZINC001167624828 1383691416 /nfs/dbraw/zinc/69/14/16/1383691416.db2.gz GWEYMDZOGGTERW-UHFFFAOYSA-N 1 0 334.420 3.038 20 5 EGBDRO NC(=[NH2+])c1nccn1-c1cnc2c3ccccc3c3ccccc3c2n1 ZINC001168411922 1383899914 /nfs/dbraw/zinc/89/99/14/1383899914.db2.gz QFDFYNIRNRDQND-UHFFFAOYSA-N 1 0 338.374 3.406 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2cc(F)ccc2OC(F)(F)F)C1 ZINC001168960155 1384071765 /nfs/dbraw/zinc/07/17/65/1384071765.db2.gz ZVTMPRORCGXFMM-SKDRFNHKSA-N 1 0 336.285 3.259 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CCc2ccc(Br)cc2)C1 ZINC001168965103 1384072905 /nfs/dbraw/zinc/07/29/05/1384072905.db2.gz YDQNRTBZRBMKQV-GXTWGEPZSA-N 1 0 327.222 3.027 20 5 EGBDRO Cc1cc(C)n(-c2ccc(C[NH2+][C@@H]3CC[C@H](C[N+](=O)[O-])C3)cc2)n1 ZINC001168971848 1384074673 /nfs/dbraw/zinc/07/46/73/1384074673.db2.gz LSYADYSCGROLIN-DLBZAZTESA-N 1 0 328.416 3.024 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2cc(Br)ccc2F)C1 ZINC001168972821 1384075016 /nfs/dbraw/zinc/07/50/16/1384075016.db2.gz BLZRMOJWIXIHHW-JOYOIKCWSA-N 1 0 331.185 3.123 20 5 EGBDRO [NH3+][C@@H]1CCc2c3cc(F)ccc3n([C@@H]3CC[C@H](C[N+](=O)[O-])C3)c2C1 ZINC001168997108 1384081899 /nfs/dbraw/zinc/08/18/99/1384081899.db2.gz XTORCCPRJPKRAT-IACUBPJLSA-N 1 0 331.391 3.214 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCn3cccc3[C@H]2c2ccccc2)C1 ZINC001169007438 1384085993 /nfs/dbraw/zinc/08/59/93/1384085993.db2.gz NRZNXLLTLQWBSC-HHXXYDBFSA-N 1 0 325.412 3.339 20 5 EGBDRO CC1([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CCN(Cc2ccccc2)CC1 ZINC001169006801 1384086159 /nfs/dbraw/zinc/08/61/59/1384086159.db2.gz ZCPHEALURJMGIL-ROUUACIJSA-N 1 0 331.460 3.076 20 5 EGBDRO Cc1cc([C@H](C)[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)ncc1Br ZINC001169006926 1384086436 /nfs/dbraw/zinc/08/64/36/1384086436.db2.gz ZTEXBDQGUVMJMD-QJPTWQEYSA-N 1 0 342.237 3.249 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCC[C@@]3(C[C@H](c4ccccc4)CO3)C2)C1 ZINC001169021741 1384091499 /nfs/dbraw/zinc/09/14/99/1384091499.db2.gz PYQSOAAUKZYVBH-BTHPGYMESA-N 1 0 344.455 3.471 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2CCc3ccc(Br)cc3C2)C1 ZINC001169033278 1384094717 /nfs/dbraw/zinc/09/47/17/1384094717.db2.gz BQTZCLJRTMNZJM-NHYWBVRUSA-N 1 0 339.233 3.253 20 5 EGBDRO CCOC(=O)C1([N@H+](Cc2ccccc2)[C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169050591 1384100499 /nfs/dbraw/zinc/10/04/99/1384100499.db2.gz BRKHDTNRTHPCLS-IRXDYDNUSA-N 1 0 346.427 3.030 20 5 EGBDRO O=C(c1ccccc1F)C1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169057448 1384101993 /nfs/dbraw/zinc/10/19/93/1384101993.db2.gz VJPBUKBXAGSMDC-UKRRQHHQSA-N 1 0 334.391 3.166 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2ccccc2OC)c([N+](=O)[O-])c1 ZINC001170295566 1384284665 /nfs/dbraw/zinc/28/46/65/1384284665.db2.gz VJTOGUJLVHUCNN-CYBMUJFWSA-N 1 0 330.384 3.333 20 5 EGBDRO CCCCN(CC)CC[NH2+][C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170297884 1384285137 /nfs/dbraw/zinc/28/51/37/1384285137.db2.gz VDKADNJGGYZTJT-HNNXBMFYSA-N 1 0 337.464 3.246 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+]Cc2cccc3c2OCO3)c([N+](=O)[O-])c1 ZINC001170305870 1384287284 /nfs/dbraw/zinc/28/72/84/1384287284.db2.gz RAKWNLNKRNCALZ-LBPRGKRZSA-N 1 0 344.367 3.053 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+]Cc2cccc(Cl)n2)c([N+](=O)[O-])c1 ZINC001170307828 1384287829 /nfs/dbraw/zinc/28/78/29/1384287829.db2.gz IMAHKLUZVMZTOE-NSHDSACASA-N 1 0 335.791 3.373 20 5 EGBDRO COc1ccc(C[C@H](C)[N@@H+]2CCC[C@@H]2C(C)(C)OC)c([N+](=O)[O-])c1 ZINC001170348532 1384297670 /nfs/dbraw/zinc/29/76/70/1384297670.db2.gz YBVMOQZKJDFZGF-SUMWQHHRSA-N 1 0 336.432 3.424 20 5 EGBDRO COc1ccc(C[C@@H](C)[N@H+](C(C)C)C2CCOCC2)c([N+](=O)[O-])c1 ZINC001170355625 1384299409 /nfs/dbraw/zinc/29/94/09/1384299409.db2.gz MWIWYAGDLBBPRA-CQSZACIVSA-N 1 0 336.432 3.424 20 5 EGBDRO CN(CC[NH3+])CCNc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC001170502856 1384330222 /nfs/dbraw/zinc/33/02/22/1384330222.db2.gz QYXSIYANWZGFPZ-UHFFFAOYSA-N 1 0 346.456 3.048 20 5 EGBDRO C[C@@H](Nc1nc2c(ccc3ccccc32)nc1Cl)[C@@H]1C[NH2+]CCO1 ZINC001170568447 1384344420 /nfs/dbraw/zinc/34/44/20/1384344420.db2.gz HYYQKTBXKMWUEI-ABAIWWIYSA-N 1 0 342.830 3.225 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]C[C@@H](O)c1ccc(F)cc1)CC2 ZINC001172896317 1384873947 /nfs/dbraw/zinc/87/39/47/1384873947.db2.gz OACRHHXFAPDCOP-IEBWSBKVSA-N 1 0 344.386 3.305 20 5 EGBDRO COC(=O)[C@@H]1C[C@H]([NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1(C)C ZINC001172900962 1384874081 /nfs/dbraw/zinc/87/40/81/1384874081.db2.gz HXJNXPIWEQOHLT-PVAVHDDUSA-N 1 0 346.427 3.020 20 5 EGBDRO COC(=O)[C@H]1CC[C@H]([NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172899523 1384874109 /nfs/dbraw/zinc/87/41/09/1384874109.db2.gz AGLFBVSDRUXWJH-DJIMGWMZSA-N 1 0 346.427 3.164 20 5 EGBDRO CCCCC[C@H]([NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1)C(=O)NC ZINC001172901415 1384874360 /nfs/dbraw/zinc/87/43/60/1384874360.db2.gz IDBJLRMDLNSSCM-AEFFLSMTSA-N 1 0 347.459 3.127 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]CCN1CCCCCC1)CC2 ZINC001172900040 1384874380 /nfs/dbraw/zinc/87/43/80/1384874380.db2.gz RTRVVVKNVXRLBZ-SFHVURJKSA-N 1 0 331.460 3.308 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]C[C@@H](O)c1ccccc1F)CC2 ZINC001172913124 1384876562 /nfs/dbraw/zinc/87/65/62/1384876562.db2.gz TZLOWCARQPJOHC-HNAYVOBHSA-N 1 0 344.386 3.305 20 5 EGBDRO COC(=O)C1(C)CC[NH+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172914267 1384877073 /nfs/dbraw/zinc/87/70/73/1384877073.db2.gz GCPRKQFGQZZUMB-MRXNPFEDSA-N 1 0 346.427 3.117 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H](N1CCC[N@@H+]3CCC[C@@H]3C1)CC2 ZINC001172914491 1384877111 /nfs/dbraw/zinc/87/71/11/1384877111.db2.gz GYPCATPWTHFZEX-PKOBYXMFSA-N 1 0 329.444 3.012 20 5 EGBDRO COC(=O)[C@]1(C)CCC[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172916951 1384878439 /nfs/dbraw/zinc/87/84/39/1384878439.db2.gz VAMJPTJPXCTNDJ-VQIMIIECSA-N 1 0 346.427 3.117 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH+]1CCC(n3ccnc3)CC1)CC2 ZINC001172920927 1384878924 /nfs/dbraw/zinc/87/89/24/1384878924.db2.gz MKKMUEYPSFZIFB-QGZVFWFLSA-N 1 0 340.427 3.376 20 5 EGBDRO CN(C1CC1)[C@H]1CC[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172920053 1384879043 /nfs/dbraw/zinc/87/90/43/1384879043.db2.gz IDIIAVMYUCFRTN-MJGOQNOKSA-N 1 0 329.444 3.011 20 5 EGBDRO CCN(CC)[C@H]1CC[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172921324 1384880163 /nfs/dbraw/zinc/88/01/63/1384880163.db2.gz ONMWEYPEJNYPLN-HKUYNNGSSA-N 1 0 331.460 3.258 20 5 EGBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH2+][C@@H]3CC34CCC4)CC2)c(F)c1 ZINC001173013666 1384898070 /nfs/dbraw/zinc/89/80/70/1384898070.db2.gz ZGWKVNJRFDDKRA-OAHLLOKOSA-N 1 0 337.370 3.374 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CC[C@@H]2CCCCO2)c1F ZINC001173177877 1384931968 /nfs/dbraw/zinc/93/19/68/1384931968.db2.gz YCBDMOZYAVKIIS-OLZOCXBDSA-N 1 0 340.395 3.222 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N(C(C)C)C(C)(C)C[NH3+])c1F ZINC001173182582 1384932186 /nfs/dbraw/zinc/93/21/86/1384932186.db2.gz HNSJKJAZMZZWHB-LBPRGKRZSA-N 1 0 341.427 3.121 20 5 EGBDRO COc1ccc(C[NH2+][C@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])cc1 ZINC001173179875 1384932430 /nfs/dbraw/zinc/93/24/30/1384932430.db2.gz RCTXRBNVSHALCR-GFCCVEGCSA-N 1 0 348.374 3.472 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@@H](C)c2cscn2)c1F ZINC001173179159 1384932532 /nfs/dbraw/zinc/93/25/32/1384932532.db2.gz NRTZYACNFWOEEY-UWVGGRQHSA-N 1 0 339.392 3.481 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+](C)CC2CCOCC2)c1F ZINC001173180775 1384932613 /nfs/dbraw/zinc/93/26/13/1384932613.db2.gz MZICCABSUDNZPN-GFCCVEGCSA-N 1 0 340.395 3.032 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@@H]2CCOC(C)(C)C2)c1F ZINC001173189353 1384933398 /nfs/dbraw/zinc/93/33/98/1384933398.db2.gz OOAIPASTINEKJN-VXGBXAGGSA-N 1 0 340.395 3.221 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1CC(NC(=O)OC(C)(C)C)C1 ZINC001173210346 1384936230 /nfs/dbraw/zinc/93/62/30/1384936230.db2.gz JJJLZBSKMZUSED-GRTSSRMGSA-N 1 0 349.431 3.171 20 5 EGBDRO COC(=O)c1cccc(C[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001173211949 1384937085 /nfs/dbraw/zinc/93/70/85/1384937085.db2.gz VSGTYZLMAMNEMR-ZDUSSCGKSA-N 1 0 328.368 3.102 20 5 EGBDRO Cc1ccccc1C[C@@H](CO)[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173222263 1384938354 /nfs/dbraw/zinc/93/83/54/1384938354.db2.gz VUYMEAMQXXKQJU-QAPCUYQASA-N 1 0 328.412 3.027 20 5 EGBDRO CC(C)[C@@H]([NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1)c1cccc(N)n1 ZINC001173224413 1384938879 /nfs/dbraw/zinc/93/88/79/1384938879.db2.gz FOEWXLKJIVIOHV-FZKQIMNGSA-N 1 0 328.416 3.490 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC[C@](O)(C(F)(F)F)C1 ZINC001173222542 1384939075 /nfs/dbraw/zinc/93/90/75/1384939075.db2.gz SVFIXTFMGDCIJM-SWLSCSKDSA-N 1 0 346.349 3.305 20 5 EGBDRO COc1ccc(C(C)(C)C[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)nc1 ZINC001173225662 1384939908 /nfs/dbraw/zinc/93/99/08/1384939908.db2.gz UIPOUNUCUMYYES-CQSZACIVSA-N 1 0 343.427 3.497 20 5 EGBDRO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173230617 1384940510 /nfs/dbraw/zinc/94/05/10/1384940510.db2.gz ZEFUJJUHDKTAGE-DOTOQJQBSA-N 1 0 347.459 3.106 20 5 EGBDRO CCc1noc([C@H]2CCC[N@@H+]([C@@H](C)Cc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC001173234187 1384941982 /nfs/dbraw/zinc/94/19/82/1384941982.db2.gz PLGMWOYEFZQFAR-ZFWWWQNUSA-N 1 0 344.415 3.351 20 5 EGBDRO Cc1noc(C2CC[NH+]([C@@H](C)Cc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC001173234772 1384942177 /nfs/dbraw/zinc/94/21/77/1384942177.db2.gz TYGFXJRPURSDNT-LBPRGKRZSA-N 1 0 330.388 3.097 20 5 EGBDRO CCc1ccsc1C(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001176839565 1385720995 /nfs/dbraw/zinc/72/09/95/1385720995.db2.gz WGUYQYKMLOCLAZ-UHFFFAOYSA-N 1 0 347.440 3.128 20 5 EGBDRO CC(C)c1occc1C(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001177234418 1385878483 /nfs/dbraw/zinc/87/84/83/1385878483.db2.gz NTLGGMCYRBQSTL-UHFFFAOYSA-N 1 0 345.399 3.221 20 5 EGBDRO O=C1[C@H]([N@@H+]2CC[C@@H]3CCCC[C@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC001319293049 1386046691 /nfs/dbraw/zinc/04/66/91/1386046691.db2.gz VEBXECJZWRYVQQ-RLFYNMQTSA-N 1 0 343.427 3.212 20 5 EGBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC001319301217 1386050411 /nfs/dbraw/zinc/05/04/11/1386050411.db2.gz WTBVMDWNDUIVPI-ILXRZTDVSA-N 1 0 331.416 3.434 20 5 EGBDRO CC[N@@H+]1CCC[C@H](CNC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)C1 ZINC001320268255 1386565846 /nfs/dbraw/zinc/56/58/46/1386565846.db2.gz IBTMWFZDZGKNOS-CQSZACIVSA-N 1 0 334.420 3.065 20 5 EGBDRO CC(C)(C)C(=O)NCCCCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001180126702 1386705252 /nfs/dbraw/zinc/70/52/52/1386705252.db2.gz CFTKXQHDCSVKAQ-UHFFFAOYSA-N 1 0 341.477 3.469 20 5 EGBDRO Cc1cncc([N+](=O)[O-])c1N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001322723165 1387230637 /nfs/dbraw/zinc/23/06/37/1387230637.db2.gz PMMXBHCYKGLTMH-QGZVFWFLSA-N 1 0 340.427 3.399 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCCCC[NH+]2CCC(C)CC2)c1C ZINC001338309366 1389629525 /nfs/dbraw/zinc/62/95/25/1389629525.db2.gz MQEKVJMDDSSFBQ-UHFFFAOYSA-N 1 0 347.459 3.454 20 5 EGBDRO O=[N+]([O-])c1cnc(N2CC[C@H](C[NH+]3CCCC3)C2)c2ccccc21 ZINC001331568158 1389805744 /nfs/dbraw/zinc/80/57/44/1389805744.db2.gz GMQXQEPUUJEDHQ-CQSZACIVSA-N 1 0 326.400 3.065 20 5 EGBDRO C[C@H](C[NH+]1CCC(C)CC1)c1nnc(-c2cccc([N+](=O)[O-])c2)o1 ZINC001341582871 1390506295 /nfs/dbraw/zinc/50/62/95/1390506295.db2.gz WJXBYAOALBRJBB-CYBMUJFWSA-N 1 0 330.388 3.480 20 5 EGBDRO Cc1cc(NC(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc([N+](=O)[O-])c1 ZINC001344876620 1390821056 /nfs/dbraw/zinc/82/10/56/1390821056.db2.gz YKWYYKNMULTRSU-HNNXBMFYSA-N 1 0 346.431 3.099 20 5 EGBDRO Cc1cc(NC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)cc([N+](=O)[O-])c1 ZINC001346655420 1390966801 /nfs/dbraw/zinc/96/68/01/1390966801.db2.gz GBHDZRXXTMXYAN-UHFFFAOYSA-N 1 0 334.420 3.241 20 5 EGBDRO Cc1cc(NC(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)cc([N+](=O)[O-])c1 ZINC001350262096 1391438370 /nfs/dbraw/zinc/43/83/70/1391438370.db2.gz HDHNXWUTHXWAPQ-UHFFFAOYSA-N 1 0 348.447 3.487 20 5 EGBDRO O=[N+]([O-])c1cn(C[N@@H+]2CC[C@@H]3CCCC[C@@H]3C2)nc1-c1ccccn1 ZINC001350479496 1391469536 /nfs/dbraw/zinc/46/95/36/1391469536.db2.gz HWJINKJHBSILQS-LSDHHAIUSA-N 1 0 341.415 3.323 20 5 EGBDRO CC1(C(=O)N2CCC(CC[NH2+]Cc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC001753568649 1440438132 /nfs/dbraw/zinc/43/81/32/1440438132.db2.gz BCOKRHYSRHKNJL-UHFFFAOYSA-N 1 0 345.443 3.113 20 5 EGBDRO C=C/C(C)=C\CC(=O)NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCC1 ZINC001754985435 1440722635 /nfs/dbraw/zinc/72/26/35/1440722635.db2.gz RHQGSJYQBKNGGC-WCSRMQSCSA-N 1 0 343.427 3.246 20 5 EGBDRO O=[N+]([O-])c1cccc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC001164627283 719065524 /nfs/dbraw/zinc/06/55/24/719065524.db2.gz QKSPBCIDMROWNS-SJORKVTESA-N 1 0 338.411 3.091 20 5 EGBDRO Cc1cccc(C[C@@H](CO)[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC000786166069 1126110076 /nfs/dbraw/zinc/11/00/76/1126110076.db2.gz UBFSLTGGFSPPLT-INIZCTEOSA-N 1 0 334.803 3.250 20 5 EGBDRO Cc1c(NC(=O)N2CC[NH+](CCC(C)(C)C)CC2)cccc1[N+](=O)[O-] ZINC000056546243 214379470 /nfs/dbraw/zinc/37/94/70/214379470.db2.gz JWMXAIMRSFRQFU-UHFFFAOYSA-N 1 0 348.447 3.489 20 5 EGBDRO Cc1c(NC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)cccc1[N+](=O)[O-] ZINC000174473808 231216595 /nfs/dbraw/zinc/21/65/95/231216595.db2.gz DWCDBLAFHAOALQ-CQSZACIVSA-N 1 0 334.420 3.241 20 5 EGBDRO CC[C@@H](NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000133054958 529681642 /nfs/dbraw/zinc/68/16/42/529681642.db2.gz QJJTZOSCXIUCHU-HNAYVOBHSA-N 1 0 347.459 3.136 20 5 EGBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000178116267 530004294 /nfs/dbraw/zinc/00/42/94/530004294.db2.gz SMPVUOVROIJUBA-INIZCTEOSA-N 1 0 345.443 3.208 20 5 EGBDRO COc1ccc(OCC[N@H+](Cc2ccccn2)C2CC2)c([N+](=O)[O-])c1 ZINC000180870630 234016351 /nfs/dbraw/zinc/01/63/51/234016351.db2.gz FYNNTGYSUNHUAS-UHFFFAOYSA-N 1 0 343.383 3.042 20 5 EGBDRO Cc1c(C(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cccc1[N+](=O)[O-] ZINC000181533871 234221913 /nfs/dbraw/zinc/22/19/13/234221913.db2.gz UMMZPZUASQQBAC-CABCVRRESA-N 1 0 345.443 3.286 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)N2C[C@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000181821752 234338353 /nfs/dbraw/zinc/33/83/53/234338353.db2.gz SHDWHNWBYFKQJX-LQKXBSAESA-N 1 0 347.459 3.447 20 5 EGBDRO O=C(NC1CC[NH+](CC2CCCC2)CC1)c1cc(F)ccc1[N+](=O)[O-] ZINC000069518537 215455619 /nfs/dbraw/zinc/45/56/19/215455619.db2.gz MDABONBFLVIHKI-UHFFFAOYSA-N 1 0 349.406 3.118 20 5 EGBDRO C[C@H](CCNC(=O)N(C)Cc1ccccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000182689606 234720104 /nfs/dbraw/zinc/72/01/04/234720104.db2.gz XXKJAFRXEPBWDA-OAHLLOKOSA-N 1 0 348.447 3.001 20 5 EGBDRO C[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000183383988 235037839 /nfs/dbraw/zinc/03/78/39/235037839.db2.gz IDIQTUJGERLHQZ-ZOBUZTSGSA-N 1 0 344.411 3.116 20 5 EGBDRO O=C(CC[NH+]1CCC(C(F)(F)F)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000072802463 216308118 /nfs/dbraw/zinc/30/81/18/216308118.db2.gz CKDNPRSVYLPBJB-UHFFFAOYSA-N 1 0 345.321 3.198 20 5 EGBDRO CCSCC[C@H](C)[N@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000072900329 216325848 /nfs/dbraw/zinc/32/58/48/216325848.db2.gz TXHBZZYPVWMGQT-LBPRGKRZSA-N 1 0 340.445 3.425 20 5 EGBDRO CSC1(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000193652552 240250396 /nfs/dbraw/zinc/25/03/96/240250396.db2.gz MNCOJPDWJAJPFX-UHFFFAOYSA-N 1 0 346.456 3.371 20 5 EGBDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000132886880 223370552 /nfs/dbraw/zinc/37/05/52/223370552.db2.gz CBLOGQSQAYUWJZ-CYBMUJFWSA-N 1 0 337.395 3.118 20 5 EGBDRO Cc1c(NC(=O)CC[N@H+]2CCS[C@H](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000246433498 243249925 /nfs/dbraw/zinc/24/99/25/243249925.db2.gz TYOXFVRRUHTFIW-CHWSQXEVSA-N 1 0 337.445 3.058 20 5 EGBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000080160868 217283697 /nfs/dbraw/zinc/28/36/97/217283697.db2.gz QIZJAOUSHHWXJF-AWEZNQCLSA-N 1 0 334.420 3.099 20 5 EGBDRO O=C(CCC[NH2+]Cc1cccc([N+](=O)[O-])c1)N1Cc2ccccc2C1 ZINC000111405566 220151816 /nfs/dbraw/zinc/15/18/16/220151816.db2.gz ONVRDTWLFFOSKP-UHFFFAOYSA-N 1 0 339.395 3.007 20 5 EGBDRO CC[C@H]1CO[C@H](C)C[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000264145406 246107587 /nfs/dbraw/zinc/10/75/87/246107587.db2.gz BWVDQHAGRDRBTP-HIFRSBDPSA-N 1 0 345.399 3.292 20 5 EGBDRO Cc1noc(C2CC[NH+](C/C=C/c3ccccc3[N+](=O)[O-])CC2)n1 ZINC000091834151 218074163 /nfs/dbraw/zinc/07/41/63/218074163.db2.gz QFBWGOLJKQQYRL-GQCTYLIASA-N 1 0 328.372 3.179 20 5 EGBDRO Cn1cc(C[N@@H+]2CCC3(CCC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093455775 218227726 /nfs/dbraw/zinc/22/77/26/218227726.db2.gz DNEUJRXVWRGDCE-UHFFFAOYSA-N 1 0 326.400 3.371 20 5 EGBDRO O=[N+]([O-])c1c2cccnc2ccc1N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000261758721 285079819 /nfs/dbraw/zinc/07/98/19/285079819.db2.gz VOVRHPDLAHGORS-HNNXBMFYSA-N 1 0 326.400 3.111 20 5 EGBDRO O=[N+]([O-])c1cc(Br)ccc1N1CC[C@H]([NH+]2CCCC2)C1 ZINC000061858084 285083162 /nfs/dbraw/zinc/08/31/62/285083162.db2.gz BYEBGLIMABBJDZ-LBPRGKRZSA-N 1 0 340.221 3.032 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@@H]1CSCCS1)C1CC1 ZINC000165713204 285162010 /nfs/dbraw/zinc/16/20/10/285162010.db2.gz QYBLBHODKAMPAE-CABCVRRESA-N 1 0 338.498 3.354 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C)c1ccccc1 ZINC000181347741 533138006 /nfs/dbraw/zinc/13/80/06/533138006.db2.gz MDHKNQDRIJDTCA-ZDUSSCGKSA-N 1 0 343.383 3.283 20 5 EGBDRO COc1ccc2oc([C@@H](C)[NH2+]CCn3cc([N+](=O)[O-])cn3)c(C)c2c1 ZINC000181442758 533357376 /nfs/dbraw/zinc/35/73/76/533357376.db2.gz IHNPDKUIRXULAI-GFCCVEGCSA-N 1 0 344.371 3.205 20 5 EGBDRO C[C@@H]([NH2+]CCCc1nnc2n1CCCCC2)c1ccc([N+](=O)[O-])cc1 ZINC000178528086 533392362 /nfs/dbraw/zinc/39/23/62/533392362.db2.gz OLILAKDZDCLXOU-CQSZACIVSA-N 1 0 343.431 3.196 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](CC(C)C)C1CC1 ZINC000027110627 140790725 /nfs/dbraw/zinc/79/07/25/140790725.db2.gz MCBOTRRUQLPTFO-UHFFFAOYSA-N 1 0 335.404 3.052 20 5 EGBDRO C[C@H](CC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)C1CC[NH2+]CC1 ZINC000237619798 141010941 /nfs/dbraw/zinc/01/09/41/141010941.db2.gz BXRDJZMHFUNMPU-OAHLLOKOSA-N 1 0 347.459 3.060 20 5 EGBDRO C[C@H](Cn1cccn1)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000337861435 141068910 /nfs/dbraw/zinc/06/89/10/141068910.db2.gz BGXRLERNQHMSSV-CYBMUJFWSA-N 1 0 326.356 3.230 20 5 EGBDRO Cc1cc(NC(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000338357486 141106508 /nfs/dbraw/zinc/10/65/08/141106508.db2.gz OVLPWNJQDMVFEF-KBPBESRZSA-N 1 0 334.420 3.288 20 5 EGBDRO CC[N@@H+]1C[C@@H](C)N(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H]1C ZINC000346189493 141176098 /nfs/dbraw/zinc/17/60/98/141176098.db2.gz JOGHFURJQLIIQK-UONOGXRCSA-N 1 0 344.415 3.164 20 5 EGBDRO Cc1c(NC(=O)CC[N@@H+]2CCCC3(CCC3)C2)cccc1[N+](=O)[O-] ZINC000348167584 141242670 /nfs/dbraw/zinc/24/26/70/141242670.db2.gz KIMMWGKEVLNIIT-UHFFFAOYSA-N 1 0 331.416 3.498 20 5 EGBDRO COc1cccc(NC[C@@H](c2ccc(F)cc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000185213031 144107699 /nfs/dbraw/zinc/10/76/99/144107699.db2.gz OAYHRWQKNNXJEM-HNNXBMFYSA-N 1 0 333.363 3.457 20 5 EGBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)[C@@H]1Oc1ccccc1 ZINC000187635233 144162396 /nfs/dbraw/zinc/16/23/96/144162396.db2.gz AFOZEVLIXPUHCN-UXLLHSPISA-N 1 0 348.424 3.371 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCCOC[C@H]1CCOC1 ZINC000344790440 144224811 /nfs/dbraw/zinc/22/48/11/144224811.db2.gz IZBTXPGCQCRKIE-IUYQLWOBSA-N 1 0 334.416 3.031 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCCN1C[C@H](C)O[C@@H](C)C1 ZINC000344815495 144227555 /nfs/dbraw/zinc/22/75/55/144227555.db2.gz BPOFNLVTGWYNBA-GNBKXHOFSA-N 1 0 347.459 3.087 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](CC1CC1)C1CCC1 ZINC000361582925 144332594 /nfs/dbraw/zinc/33/25/94/144332594.db2.gz KEZRRCYITAVISU-UHFFFAOYSA-N 1 0 331.416 3.496 20 5 EGBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000363937179 144377794 /nfs/dbraw/zinc/37/77/94/144377794.db2.gz JLPXSOBJZGBPNR-STQMWFEESA-N 1 0 345.424 3.166 20 5 EGBDRO C[S@@](=O)c1ccc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000119114046 152174877 /nfs/dbraw/zinc/17/48/77/152174877.db2.gz VIOGIMRLQNGKJW-QHCPKHFHSA-N 1 0 332.425 3.357 20 5 EGBDRO CCn1nc(C)c([N+](=O)[O-])c1N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000192757488 153258988 /nfs/dbraw/zinc/25/89/88/153258988.db2.gz JZECNZNYIGWHRS-OCCSQVGLSA-N 1 0 335.452 3.185 20 5 EGBDRO C[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C[C@@H]1CCCC[C@@H]1O ZINC000305786795 154120895 /nfs/dbraw/zinc/12/08/95/154120895.db2.gz BEWJPAOVYHBXGG-YOEHRIQHSA-N 1 0 345.399 3.233 20 5 EGBDRO C[C@H]1C[N@H+](Cc2ccccc2)CCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000346971399 156222343 /nfs/dbraw/zinc/22/23/43/156222343.db2.gz PASJOUQSJNRCIC-HNNXBMFYSA-N 1 0 343.402 3.440 20 5 EGBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)c1 ZINC000093507529 162013816 /nfs/dbraw/zinc/01/38/16/162013816.db2.gz YZMXDZJQFUOAPV-RISCZKNCSA-N 1 0 342.342 3.197 20 5 EGBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)CC1CCC1 ZINC000111296779 162151798 /nfs/dbraw/zinc/15/17/98/162151798.db2.gz MACAAYNAFXFLNW-SNVBAGLBSA-N 1 0 325.796 3.307 20 5 EGBDRO O=[N+]([O-])c1cccc(C[N@@H+](CCO)[C@H]2CCCc3ccccc32)c1 ZINC000114468823 162233914 /nfs/dbraw/zinc/23/39/14/162233914.db2.gz RVHQQQBADAUNEJ-IBGZPJMESA-N 1 0 326.396 3.467 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+]CCC(=O)NCc2ccccc2)cc1[N+](=O)[O-] ZINC000129230151 162350669 /nfs/dbraw/zinc/35/06/69/162350669.db2.gz UWSCPCWYTWWOGO-OAHLLOKOSA-N 1 0 341.411 3.260 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CCCCC3CCOCC3)C2)nc1 ZINC000337191622 163158164 /nfs/dbraw/zinc/15/81/64/163158164.db2.gz UEIIMAJEFJRJIY-MRXNPFEDSA-N 1 0 348.447 3.073 20 5 EGBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cnn(-c2ccccc2)c1 ZINC000338349783 163219769 /nfs/dbraw/zinc/21/97/69/163219769.db2.gz IGCHSIGXAUZLQY-UHFFFAOYSA-N 1 0 336.395 3.455 20 5 EGBDRO CO[C@@H](C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1)c1ccccc1 ZINC000338549595 163269417 /nfs/dbraw/zinc/26/94/17/163269417.db2.gz VGZBRNRKHLMSTH-IBGZPJMESA-N 1 0 341.411 3.105 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]Cc1ccnc(N2CCCC2)c1 ZINC000338714631 163328842 /nfs/dbraw/zinc/32/88/42/163328842.db2.gz UKOQSFWYQYKICS-FNORWQNLSA-N 1 0 338.411 3.393 20 5 EGBDRO COc1ccc(-c2ccc(C[N@@H+]3CCC[C@H](O)CC3)o2)c([N+](=O)[O-])c1 ZINC000354749411 166023211 /nfs/dbraw/zinc/02/32/11/166023211.db2.gz RPJXCZXIEIXODW-ZDUSSCGKSA-N 1 0 346.383 3.210 20 5 EGBDRO CC[N@H+](C)[C@@H](C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000343771160 164030445 /nfs/dbraw/zinc/03/04/45/164030445.db2.gz SUIIIEHRAORVQP-KBXCAEBGSA-N 1 0 341.411 3.465 20 5 EGBDRO Cn1nnc2cc(C[N@H+](Cc3ccc([N+](=O)[O-])cc3)C3CC3)ccc21 ZINC000343921376 164066666 /nfs/dbraw/zinc/06/66/66/164066666.db2.gz CCDFWJFJXNQZLD-UHFFFAOYSA-N 1 0 337.383 3.041 20 5 EGBDRO COc1cc(C[N@@H+]2CC[C@H](C3CC3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000344038323 164088671 /nfs/dbraw/zinc/08/86/71/164088671.db2.gz UIDQWHRCCRTWKP-NSHDSACASA-N 1 0 342.342 3.437 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H](C2CC2)C1 ZINC000344130731 164110709 /nfs/dbraw/zinc/11/07/09/164110709.db2.gz YIWSEVPNEOCPHB-HNNXBMFYSA-N 1 0 331.416 3.354 20 5 EGBDRO Cc1ccc([C@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)[NH+](C)C)cc1 ZINC000344212817 164127979 /nfs/dbraw/zinc/12/79/79/164127979.db2.gz OAIUETKWOPCMRN-KRWDZBQOSA-N 1 0 345.374 3.075 20 5 EGBDRO O=C(NC1CC[NH+](CC2CCCC2)CC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344223202 164130131 /nfs/dbraw/zinc/13/01/31/164130131.db2.gz ZLXGOXSOHBPUFW-UHFFFAOYSA-N 1 0 349.406 3.118 20 5 EGBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000344593603 164195094 /nfs/dbraw/zinc/19/50/94/164195094.db2.gz MADAZZHABURXMH-NUJGCVRESA-N 1 0 347.459 3.311 20 5 EGBDRO Cc1cc(C(=O)Nc2cccc(OCC[NH+](C)C)c2)cc([N+](=O)[O-])c1 ZINC000345917967 164294700 /nfs/dbraw/zinc/29/47/00/164294700.db2.gz RMISTJLJLYCTGN-UHFFFAOYSA-N 1 0 343.383 3.096 20 5 EGBDRO C[NH+](C)CC[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1F)C(C)(C)C ZINC000351610645 165101214 /nfs/dbraw/zinc/10/12/14/165101214.db2.gz OQVKSFLTAHHBCC-AWEZNQCLSA-N 1 0 340.399 3.222 20 5 EGBDRO O=[N+]([O-])c1cc(F)c(CN2CC[C@@H](C[NH+]3CCCCC3)C2)c(F)c1 ZINC000352050634 165211657 /nfs/dbraw/zinc/21/16/57/165211657.db2.gz SSHWVBYEVHSELR-ZDUSSCGKSA-N 1 0 339.386 3.181 20 5 EGBDRO CCN(CCC[NH+]1CCCC1)c1nc2ccccc2cc1[N+](=O)[O-] ZINC000352360426 165361736 /nfs/dbraw/zinc/36/17/36/165361736.db2.gz NKTCJZIUMARWKH-UHFFFAOYSA-N 1 0 328.416 3.455 20 5 EGBDRO CC[C@H](C)[NH2+][C@H](CNC(=O)c1ccc([N+](=O)[O-])c(C)c1)c1ccco1 ZINC000359547366 167188090 /nfs/dbraw/zinc/18/80/90/167188090.db2.gz SAUNZVDCDXHWPQ-DZGCQCFKSA-N 1 0 345.399 3.355 20 5 EGBDRO CC[C@H](C)[NH2+][C@H](CNC(=O)c1csc([N+](=O)[O-])c1)c1ccco1 ZINC000359547722 167188385 /nfs/dbraw/zinc/18/83/85/167188385.db2.gz SLVWGKFWUHBCOB-CMPLNLGQSA-N 1 0 337.401 3.109 20 5 EGBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000359777983 167229974 /nfs/dbraw/zinc/22/99/74/167229974.db2.gz LJQXDDFWGZLRIT-NSHDSACASA-N 1 0 327.812 3.098 20 5 EGBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1CCCC[C@H]1Cc1ccccc1 ZINC000360339938 167307374 /nfs/dbraw/zinc/30/73/74/167307374.db2.gz WJEUQBDIUYWNTJ-HOTGVXAUSA-N 1 0 328.416 3.219 20 5 EGBDRO COc1ccccc1CCC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365121299 168023980 /nfs/dbraw/zinc/02/39/80/168023980.db2.gz JKKONSMCRRAAFN-UHFFFAOYSA-N 1 0 344.415 3.070 20 5 EGBDRO CCOc1cc(CN2CCC3(CCC[N@@H+]3C)CC2)ccc1[N+](=O)[O-] ZINC000365192224 168033071 /nfs/dbraw/zinc/03/30/71/168033071.db2.gz PIJCQGHVFQPGQT-UHFFFAOYSA-N 1 0 333.432 3.054 20 5 EGBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc([S@](C)=O)cc1 ZINC000123252092 222244016 /nfs/dbraw/zinc/24/40/16/222244016.db2.gz PACOIGLTKKXFFL-ZAMGYDSWSA-N 1 0 332.425 3.226 20 5 EGBDRO CC(C)(C)OC(=O)N1CCC[C@H]1C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000224068385 266197995 /nfs/dbraw/zinc/19/79/95/266197995.db2.gz UODAXRJMAMBCRS-LBPRGKRZSA-N 1 0 341.433 3.145 20 5 EGBDRO COc1ccc([C@@H](C)[N@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000269684126 266342080 /nfs/dbraw/zinc/34/20/80/266342080.db2.gz SBTITPCELZWKHU-ACJLOTCBSA-N 1 0 330.384 3.330 20 5 EGBDRO Cc1cnc(NC2CC[NH+]([C@H](C)c3ccncc3)CC2)c([N+](=O)[O-])c1 ZINC000269743471 266351914 /nfs/dbraw/zinc/35/19/14/266351914.db2.gz WQKXJNGPJBRNNE-CQSZACIVSA-N 1 0 341.415 3.331 20 5 EGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@@]1(O)CCc2ccccc21 ZINC000269760844 266355635 /nfs/dbraw/zinc/35/56/35/266355635.db2.gz AZMZBMMINCPYEA-KRWDZBQOSA-N 1 0 332.787 3.172 20 5 EGBDRO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)[C@@]12CCCO2 ZINC000274242978 267203989 /nfs/dbraw/zinc/20/39/89/267203989.db2.gz RAADKQMQBDHJFV-RNJTYBCJSA-N 1 0 334.416 3.280 20 5 EGBDRO CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000274264411 267207830 /nfs/dbraw/zinc/20/78/30/267207830.db2.gz LDSUXJRAWHWVQV-GJZGRUSLSA-N 1 0 349.431 3.173 20 5 EGBDRO Cn1ccnc1[C@@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000275100844 267318239 /nfs/dbraw/zinc/31/82/39/267318239.db2.gz QJTOUJNAUMFWCV-HNNXBMFYSA-N 1 0 334.807 3.265 20 5 EGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCCN1CCCO[C@H](C)C1 ZINC000278564538 268040018 /nfs/dbraw/zinc/04/00/18/268040018.db2.gz PGQODKDXQBJHDC-DLBZAZTESA-N 1 0 349.475 3.006 20 5 EGBDRO CC[NH+](CC)C[C@@H](C)Nc1ccc([N+](=O)[O-])cc1Br ZINC000041677024 275124914 /nfs/dbraw/zinc/12/49/14/275124914.db2.gz NKXWFYLRBVJUOB-SNVBAGLBSA-N 1 0 330.226 3.500 20 5 EGBDRO CN(C)C(=O)C(C)(C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000108422095 275175533 /nfs/dbraw/zinc/17/55/33/275175533.db2.gz YWGGUTFDUDQQFJ-UHFFFAOYSA-N 1 0 347.440 3.280 20 5 EGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCCc1cnn(C)c1 ZINC000271068017 275237717 /nfs/dbraw/zinc/23/77/17/275237717.db2.gz DLRHWXWWJVKDIX-OAHLLOKOSA-N 1 0 348.472 3.421 20 5 EGBDRO CCn1nccc1C1CC[NH+](Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000279129847 275306378 /nfs/dbraw/zinc/30/63/78/275306378.db2.gz VWPBEMHDNLFKGA-UHFFFAOYSA-N 1 0 328.416 3.499 20 5 EGBDRO CCn1nccc1C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000279161834 275308975 /nfs/dbraw/zinc/30/89/75/275308975.db2.gz AVPOIKCDOCVFFE-UHFFFAOYSA-N 1 0 328.416 3.499 20 5 EGBDRO CC[C@H](C)NC(=O)CC[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279163735 275309053 /nfs/dbraw/zinc/30/90/53/275309053.db2.gz UGWCDUDHJWOWEL-BLLLJJGKSA-N 1 0 333.432 3.212 20 5 EGBDRO CO[C@@]1(C)CCC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000279254838 275316668 /nfs/dbraw/zinc/31/66/68/275316668.db2.gz HLPMIMTUBOMVHL-SFHVURJKSA-N 1 0 345.399 3.293 20 5 EGBDRO C[NH+](C)CCCOC1CCN(c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000279507446 275335941 /nfs/dbraw/zinc/33/59/41/275335941.db2.gz RBVZAXXWWCFUFJ-UHFFFAOYSA-N 1 0 341.839 3.185 20 5 EGBDRO C[S@](=O)C1(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CCC1 ZINC000281194018 275529096 /nfs/dbraw/zinc/52/90/96/275529096.db2.gz XURCKFOQOZAYIJ-CMJOXMDJSA-N 1 0 336.457 3.208 20 5 EGBDRO CCSCCC[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000282742806 275666219 /nfs/dbraw/zinc/66/62/19/275666219.db2.gz NFZGCINWHVYXKN-GFCCVEGCSA-N 1 0 325.434 3.045 20 5 EGBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N(CC[NH+](C)C)c2ccccc2)c1F ZINC000284808268 275828050 /nfs/dbraw/zinc/82/80/50/275828050.db2.gz ZHDXJZQQXPSLLG-UHFFFAOYSA-N 1 0 345.374 3.251 20 5 EGBDRO CC(=O)c1cc(N2CCC(CCC[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000286083097 275949269 /nfs/dbraw/zinc/94/92/69/275949269.db2.gz BRTKWFZDZZXYEN-UHFFFAOYSA-N 1 0 333.432 3.356 20 5 EGBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1ccc2ncccc2c1[N+](=O)[O-] ZINC000286221299 275966129 /nfs/dbraw/zinc/96/61/29/275966129.db2.gz DAMRSQZNRCSHMQ-ZIAGYGMSSA-N 1 0 326.400 3.206 20 5 EGBDRO COc1ccc(OCC[N@H+](C)C2CCC(F)(F)CC2)c([N+](=O)[O-])c1 ZINC000286697291 276034288 /nfs/dbraw/zinc/03/42/88/276034288.db2.gz DOLXWCDEUZEPGG-UHFFFAOYSA-N 1 0 344.358 3.492 20 5 EGBDRO CC(C)c1ccc(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000368933895 276051287 /nfs/dbraw/zinc/05/12/87/276051287.db2.gz RFWRGOGWLHDGQD-LSDHHAIUSA-N 1 0 331.416 3.075 20 5 EGBDRO CCCN(CC[NH+]1CCCC1)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000286991884 276067820 /nfs/dbraw/zinc/06/78/20/276067820.db2.gz PEGWASBMRSIHGL-UHFFFAOYSA-N 1 0 334.420 3.243 20 5 EGBDRO Cn1ccnc1[C@H]([NH2+]C[C@H]1CCCSC1)c1ccc([N+](=O)[O-])cc1 ZINC000287079778 276080617 /nfs/dbraw/zinc/08/06/17/276080617.db2.gz OOIGMCZIGNXKIO-CZUORRHYSA-N 1 0 346.456 3.151 20 5 EGBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1ccc(N)cc1[N+](=O)[O-] ZINC000288180039 276188845 /nfs/dbraw/zinc/18/88/45/276188845.db2.gz BNFGZTCJRUJRDG-YOEHRIQHSA-N 1 0 340.427 3.500 20 5 EGBDRO Cc1cc(C[NH2+]Cc2ccccc2[N+](=O)[O-])cc(N2CCCC2)n1 ZINC000289960164 276425795 /nfs/dbraw/zinc/42/57/95/276425795.db2.gz YCPITEOPDDYIOX-UHFFFAOYSA-N 1 0 326.400 3.188 20 5 EGBDRO C[C@@H](CCCNC(=O)OC(C)(C)C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000290767834 276538940 /nfs/dbraw/zinc/53/89/40/276538940.db2.gz SBRJQAXKZMDSGU-ZDUSSCGKSA-N 1 0 337.420 3.378 20 5 EGBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccc(C(=O)N(C)C)cc1 ZINC000292263320 276758843 /nfs/dbraw/zinc/75/88/43/276758843.db2.gz SXBPRIXSTKRNNC-AWEZNQCLSA-N 1 0 341.411 3.190 20 5 EGBDRO CNC(=O)c1cccc(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000192740676 277261005 /nfs/dbraw/zinc/26/10/05/277261005.db2.gz MHRLECHCZQWFBL-GOSISDBHSA-N 1 0 339.395 3.122 20 5 EGBDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@H](C)c3cc([N+](=O)[O-])ccc3C)[C@H]2C1 ZINC000343926459 278071600 /nfs/dbraw/zinc/07/16/00/278071600.db2.gz JBFQQRMDYKDDNC-UVDFWXMISA-N 1 0 345.443 3.201 20 5 EGBDRO C[C@@H]([NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C(=O)N1CCCCC1 ZINC000359026666 278380847 /nfs/dbraw/zinc/38/08/47/278380847.db2.gz FPZAUTZTHKMIEL-DYVFJYSZSA-N 1 0 345.443 3.308 20 5 EGBDRO O=[N+]([O-])c1cc(F)c(CN2CCC[C@H]2C[NH+]2CCCCC2)c(F)c1 ZINC000352024108 280359294 /nfs/dbraw/zinc/35/92/94/280359294.db2.gz DFCXAQLBZGMFMT-ZDUSSCGKSA-N 1 0 339.386 3.323 20 5 EGBDRO CC(C)c1ccc(C[NH2+][C@H](C2CC2)[C@]2(CO)CCCO2)cc1[N+](=O)[O-] ZINC000354724116 280605824 /nfs/dbraw/zinc/60/58/24/280605824.db2.gz RRTAFNOYLGSSHH-RTBURBONSA-N 1 0 348.443 3.128 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H]([NH+](C)C)Cc3ccccc32)c1 ZINC000173003927 281007731 /nfs/dbraw/zinc/00/77/31/281007731.db2.gz UUAXEQQHWWUMST-OAHLLOKOSA-N 1 0 339.395 3.036 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[NH+](CC2CCOCC2)CC1 ZINC000182798099 281019601 /nfs/dbraw/zinc/01/96/01/281019601.db2.gz MSEMHTNEXQKDIE-MRXNPFEDSA-N 1 0 347.459 3.008 20 5 EGBDRO C[NH+](C)CCN(Cc1ccc(F)cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000349036574 289145807 /nfs/dbraw/zinc/14/58/07/289145807.db2.gz ONDMAYRYLREICR-UHFFFAOYSA-N 1 0 331.391 3.298 20 5 EGBDRO O=[N+]([O-])c1cc2ccccc2nc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000373695287 304801310 /nfs/dbraw/zinc/80/13/10/304801310.db2.gz HWDLYCALJIAZGM-HNNXBMFYSA-N 1 0 326.400 3.208 20 5 EGBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H]2CCCC[C@@H]2Cc2ccccc2)c1 ZINC000119119071 307491262 /nfs/dbraw/zinc/49/12/62/307491262.db2.gz PKZVZAPSUBADCE-AEFFLSMTSA-N 1 0 328.416 3.182 20 5 EGBDRO CCOc1ccc([C@@H](C)[NH2+]CCC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000153964792 307784955 /nfs/dbraw/zinc/78/49/55/307784955.db2.gz CKCWHDUIUMRKSF-GFCCVEGCSA-N 1 0 338.404 3.376 20 5 EGBDRO CCn1ccc(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])n1 ZINC000414209239 309066795 /nfs/dbraw/zinc/06/67/95/309066795.db2.gz MWVGMHRKGHQFJI-WMLDXEAASA-N 1 0 328.416 3.312 20 5 EGBDRO C[C@@H]1C[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@H]2CCCC[C@@H]12 ZINC000248409531 308002261 /nfs/dbraw/zinc/00/22/61/308002261.db2.gz CQWZDYFXDOFUIX-COXVUDFISA-N 1 0 331.416 3.068 20 5 EGBDRO C[N@H+](Cc1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CCCC[C@H]1O ZINC000252915570 308032779 /nfs/dbraw/zinc/03/27/79/308032779.db2.gz ASWRERSHCRFKHG-TZMCWYRMSA-N 1 0 343.221 3.093 20 5 EGBDRO CCC[N@H+](CC)CCNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293126688 308101621 /nfs/dbraw/zinc/10/16/21/308101621.db2.gz FKYVDJSFPSKQOX-UHFFFAOYSA-N 1 0 347.337 3.075 20 5 EGBDRO CC(C)(CO)[C@@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])c1cccnc1 ZINC000293565575 308142226 /nfs/dbraw/zinc/14/22/26/308142226.db2.gz GKSSYPWJZNPDQL-IWHGQQBYSA-N 1 0 341.411 3.352 20 5 EGBDRO CCCOc1ccc(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cn1 ZINC000293659285 308150648 /nfs/dbraw/zinc/15/06/48/308150648.db2.gz JCXKYZTZSSFPTN-GFCCVEGCSA-N 1 0 330.388 3.212 20 5 EGBDRO CC[C@H](C)[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)OC ZINC000294749793 308253058 /nfs/dbraw/zinc/25/30/58/308253058.db2.gz ICUUXTKVTNWEJK-GUYCJALGSA-N 1 0 346.431 3.146 20 5 EGBDRO C[C@H]1CN(c2ccc3ncccc3c2[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000295000441 308280213 /nfs/dbraw/zinc/28/02/13/308280213.db2.gz RSNRDDWESBPPAX-CYBMUJFWSA-N 1 0 326.400 3.064 20 5 EGBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1NC1CC[NH+](C2CCC2)CC1 ZINC000296176142 308401221 /nfs/dbraw/zinc/40/12/21/308401221.db2.gz ZSEQEWLQTZZAOL-UHFFFAOYSA-N 1 0 344.337 3.437 20 5 EGBDRO C[C@@H]1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@H](C[NH3+])C1 ZINC000414768042 309099621 /nfs/dbraw/zinc/09/96/21/309099621.db2.gz KVBXONQRGWSWNW-WBMJQRKESA-N 1 0 346.456 3.278 20 5 EGBDRO CC(=O)c1ccc(N2CC[NH+](C3CCC(C)CC3)CC2)c([N+](=O)[O-])c1 ZINC000301306924 308695967 /nfs/dbraw/zinc/69/59/67/308695967.db2.gz VHMFEXZWEDLUFH-UHFFFAOYSA-N 1 0 345.443 3.498 20 5 EGBDRO CCOc1cc(N2CCC[C@H]([NH+]3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000301508593 308703210 /nfs/dbraw/zinc/70/32/10/308703210.db2.gz DLXCRBOOZHRDCU-HNNXBMFYSA-N 1 0 333.432 3.448 20 5 EGBDRO CN(CC1CC[NH+](C)CC1)c1cc(Br)ccc1[N+](=O)[O-] ZINC000301696418 308711260 /nfs/dbraw/zinc/71/12/60/308711260.db2.gz YYFCSSSBUJMXTL-UHFFFAOYSA-N 1 0 342.237 3.135 20 5 EGBDRO C[NH+](C)CC1CCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 ZINC000330540316 308796236 /nfs/dbraw/zinc/79/62/36/308796236.db2.gz MERGFGSUTNGRHQ-UHFFFAOYSA-N 1 0 347.459 3.306 20 5 EGBDRO Cc1ccc([C@@H](C)NC(=O)[C@@H](C)[NH+]2CCCCCC2)cc1[N+](=O)[O-] ZINC000331954583 308822028 /nfs/dbraw/zinc/82/20/28/308822028.db2.gz JOYZAKTWIDDFIT-HUUCEWRRSA-N 1 0 333.432 3.345 20 5 EGBDRO O=[N+]([O-])c1cnc(NCc2cccc(C[NH+]3CCCC3)c2)c(F)c1 ZINC000413046974 309013298 /nfs/dbraw/zinc/01/32/98/309013298.db2.gz GAXCUDMIZWFGON-UHFFFAOYSA-N 1 0 330.363 3.337 20 5 EGBDRO Cc1ccc([C@H](CNc2ncc([N+](=O)[O-])cc2F)[NH+]2CCCC2)o1 ZINC000413116715 309016936 /nfs/dbraw/zinc/01/69/36/309016936.db2.gz WQPZKQQJLUCHGA-AWEZNQCLSA-N 1 0 334.351 3.279 20 5 EGBDRO O=[N+]([O-])c1cnc(N2CC[C@H]([NH+]3CCCCC3)C2)c(C(F)(F)F)c1 ZINC000413145304 309018064 /nfs/dbraw/zinc/01/80/64/309018064.db2.gz ZLSOBRSXZNEBGX-NSHDSACASA-N 1 0 344.337 3.073 20 5 EGBDRO C[C@@H](Nc1ncc([N+](=O)[O-])cc1F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000413242325 309023223 /nfs/dbraw/zinc/02/32/23/309023223.db2.gz UNAKITDNTNXZHF-UKRRQHHQSA-N 1 0 344.390 3.451 20 5 EGBDRO Cc1ccc(CN[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000414883382 309107168 /nfs/dbraw/zinc/10/71/68/309107168.db2.gz ADJBMZXOFDGZNN-QZTJIDSGSA-N 1 0 343.402 3.278 20 5 EGBDRO C[C@@]1(CNCc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCC[NH2+]C1 ZINC000414897057 309107998 /nfs/dbraw/zinc/10/79/98/309107998.db2.gz DAOWRIKRPUYJOJ-GOSISDBHSA-N 1 0 329.400 3.334 20 5 EGBDRO [NH3+]C[C@@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CCCC1 ZINC000415072023 309118318 /nfs/dbraw/zinc/11/83/18/309118318.db2.gz XJYNEBOYQOUGJV-MRXNPFEDSA-N 1 0 346.456 3.325 20 5 EGBDRO [NH3+][C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1c1cccc(F)c1 ZINC000415129645 309122573 /nfs/dbraw/zinc/12/25/73/309122573.db2.gz VODGEZMLWOXWNT-DOTOQJQBSA-N 1 0 349.793 3.314 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000415763246 309143418 /nfs/dbraw/zinc/14/34/18/309143418.db2.gz NXTGMZKAJMYJRI-MRXNPFEDSA-N 1 0 334.420 3.186 20 5 EGBDRO C[NH2+]Cc1ccc(NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000415973959 309152215 /nfs/dbraw/zinc/15/22/15/309152215.db2.gz PVWYSCKESWYGPQ-UHFFFAOYSA-N 1 0 342.399 3.371 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCCO[C@@H]1CCOC1)CCCC2 ZINC000417310202 309201250 /nfs/dbraw/zinc/20/12/50/309201250.db2.gz JRVXLXBVGFXFBA-SJLPKXTDSA-N 1 0 334.416 3.148 20 5 EGBDRO CC(C)C(=O)NCCC[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417313503 309201309 /nfs/dbraw/zinc/20/13/09/309201309.db2.gz WFPPTEFGDPUCSP-KRWDZBQOSA-N 1 0 333.432 3.114 20 5 EGBDRO Cc1nccnc1CC[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417351168 309202583 /nfs/dbraw/zinc/20/25/83/309202583.db2.gz REEOZLVRAQYQBL-SFHVURJKSA-N 1 0 326.400 3.293 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]CC(C)(C)C2(O)CCOCC2)cc1[N+](=O)[O-] ZINC000417390651 309204194 /nfs/dbraw/zinc/20/41/94/309204194.db2.gz YZURJDPBKFRZGK-AWEZNQCLSA-N 1 0 336.432 3.122 20 5 EGBDRO Cc1ccc([C@H](C)NC(=O)NC[C@@H]2[NH2+]CCCC2(C)C)cc1[N+](=O)[O-] ZINC000417820173 309223909 /nfs/dbraw/zinc/22/39/09/309223909.db2.gz CMRRMRWAQIQMSV-BBRMVZONSA-N 1 0 348.447 3.042 20 5 EGBDRO CC[C@@H]([NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)[C@@H]1CC1(C)C ZINC000419325943 309264495 /nfs/dbraw/zinc/26/44/95/309264495.db2.gz XREMAFAIAVBISZ-UONOGXRCSA-N 1 0 347.415 3.307 20 5 EGBDRO Cc1cc(N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420225905 309277490 /nfs/dbraw/zinc/27/74/90/309277490.db2.gz FNPFUUYKIJNHFY-UMNHJUIQSA-N 1 0 329.322 3.096 20 5 EGBDRO [NH3+][C@@H]1CCC[C@H]2CN(c3c(Cl)cc(Cl)cc3[N+](=O)[O-])C[C@@H]21 ZINC000420225187 309277539 /nfs/dbraw/zinc/27/75/39/309277539.db2.gz CNBWCJFMTQUMAP-PTOFAABTSA-N 1 0 330.215 3.465 20 5 EGBDRO Cc1cc(N2CCC[C@@H](CC[NH3+])C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420238182 309277878 /nfs/dbraw/zinc/27/78/78/309277878.db2.gz GWHNAEPABMQUEE-NSHDSACASA-N 1 0 331.338 3.487 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000421746623 309338168 /nfs/dbraw/zinc/33/81/68/309338168.db2.gz DUATUJRQSZLDCD-IUODEOHRSA-N 1 0 333.432 3.062 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000421752112 309338441 /nfs/dbraw/zinc/33/84/41/309338441.db2.gz PYNZEPSIQSKTFN-CYBMUJFWSA-N 1 0 333.432 3.063 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000421886199 309345200 /nfs/dbraw/zinc/34/52/00/309345200.db2.gz GXFALWWUKSHLQS-YLQAJVPDSA-N 1 0 345.443 3.014 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1c2ccccc2C[C@H]1C[NH3+] ZINC000422627902 309362827 /nfs/dbraw/zinc/36/28/27/309362827.db2.gz QYNYRMVUHRFENJ-HNNXBMFYSA-N 1 0 339.395 3.050 20 5 EGBDRO CC(C)c1ccc(C(=O)N2c3ccccc3C[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000422627339 309362874 /nfs/dbraw/zinc/36/28/74/309362874.db2.gz OAIOQBUZZPHXNG-HNNXBMFYSA-N 1 0 339.395 3.248 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000422798641 309369023 /nfs/dbraw/zinc/36/90/23/309369023.db2.gz SDTBRKMBUPBPNX-INIZCTEOSA-N 1 0 341.411 3.456 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000422889410 309374446 /nfs/dbraw/zinc/37/44/46/309374446.db2.gz PLJAFGZDJOLEGV-AWEZNQCLSA-N 1 0 341.411 3.470 20 5 EGBDRO Cc1ccc([C@H](C)NC(=O)[C@H]([NH3+])CC2CCCCC2)cc1[N+](=O)[O-] ZINC000423270155 309393406 /nfs/dbraw/zinc/39/34/06/309393406.db2.gz GFKKMASBANABLN-XJKSGUPXSA-N 1 0 333.432 3.378 20 5 EGBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2NCC[NH2+]C2CCCCCC2)n1 ZINC000423282995 309394039 /nfs/dbraw/zinc/39/40/39/309394039.db2.gz VNUIAPHYJUAKCD-IRXDYDNUSA-N 1 0 349.479 3.177 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000423518228 309404340 /nfs/dbraw/zinc/40/43/40/309404340.db2.gz ZGFPXPDXIAJQGR-UHFFFAOYSA-N 1 0 343.383 3.110 20 5 EGBDRO O=C1CCN1c1cccc(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])c1 ZINC000441219660 309864975 /nfs/dbraw/zinc/86/49/75/309864975.db2.gz YWKWAINIKZAGID-DAXSKMNVSA-N 1 0 337.379 3.135 20 5 EGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCc2cccc(F)c2)n1 ZINC000447510418 309980374 /nfs/dbraw/zinc/98/03/74/309980374.db2.gz PDMRXDFUHGPRGT-HZPDHXFCSA-N 1 0 332.379 3.246 20 5 EGBDRO COc1ccc(CC[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000447515933 309980403 /nfs/dbraw/zinc/98/04/03/309980403.db2.gz DSOLDDOSXOEOAF-SJORKVTESA-N 1 0 344.415 3.116 20 5 EGBDRO CC[NH+](CC)C[C@H](C)NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000448978166 310026631 /nfs/dbraw/zinc/02/66/31/310026631.db2.gz WCLYGDUZOHBGCN-JTQLQIEISA-N 1 0 347.337 3.074 20 5 EGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc2c(c1)OCCCO2 ZINC000449115399 310038113 /nfs/dbraw/zinc/03/81/13/310038113.db2.gz HLMDGAIGWKDUJP-CQSZACIVSA-N 1 0 342.395 3.477 20 5 EGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](CCO)c1ccccc1 ZINC000449155288 310040976 /nfs/dbraw/zinc/04/09/76/310040976.db2.gz AUUYTCFWFFGOOH-YJBOKZPZSA-N 1 0 328.412 3.282 20 5 EGBDRO CC[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449178365 310042557 /nfs/dbraw/zinc/04/25/57/310042557.db2.gz SNMACWKEZAQXKT-YGPZVILASA-N 1 0 338.473 3.195 20 5 EGBDRO CC(C)n1cc2c(n1)C[C@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])CC2 ZINC000449195719 310043741 /nfs/dbraw/zinc/04/37/41/310043741.db2.gz VMKSSLKBRRCOMX-WMLDXEAASA-N 1 0 342.443 3.450 20 5 EGBDRO COc1cccc(COCC[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000449201496 310044214 /nfs/dbraw/zinc/04/42/14/310044214.db2.gz DVFIWXDBPHPTQN-OAHLLOKOSA-N 1 0 344.411 3.341 20 5 EGBDRO COCC[C@H](Cc1ccco1)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449234165 310046454 /nfs/dbraw/zinc/04/64/54/310046454.db2.gz PADNMODBVYDSNQ-GOEBONIOSA-N 1 0 332.400 3.356 20 5 EGBDRO COCC[C@H](Cc1ccco1)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449234164 310046476 /nfs/dbraw/zinc/04/64/76/310046476.db2.gz PADNMODBVYDSNQ-GDBMZVCRSA-N 1 0 332.400 3.356 20 5 EGBDRO Cc1ccc(C[NH2+][C@H]2CCO[C@H](c3ccncc3)C2)cc1[N+](=O)[O-] ZINC000449545790 310070395 /nfs/dbraw/zinc/07/03/95/310070395.db2.gz ZMWCUVDCIJYJAK-WMZOPIPTSA-N 1 0 327.384 3.308 20 5 EGBDRO C[N@@H+]1CC[C@H]2CCN(c3nc(-c4ccc([N+](=O)[O-])cc4)cs3)[C@@H]2C1 ZINC000450429511 310121996 /nfs/dbraw/zinc/12/19/96/310121996.db2.gz LOROMKAUYNTBTF-XJKSGUPXSA-N 1 0 344.440 3.249 20 5 EGBDRO C[NH+](C)C[C@H]1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)C1 ZINC000450439453 310122735 /nfs/dbraw/zinc/12/27/35/310122735.db2.gz XOEHOZDHLARTFR-GFCCVEGCSA-N 1 0 332.429 3.106 20 5 EGBDRO Cc1cc(N2CC[C@@H]3C[C@H](O)CC[C@@H]3C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000450813553 310143764 /nfs/dbraw/zinc/14/37/64/310143764.db2.gz OYZSEAHIDVUDLP-IIAWOOMASA-N 1 0 341.411 3.439 20 5 EGBDRO CC[NH+]1CCN(CC(C)(C)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000450922163 310149814 /nfs/dbraw/zinc/14/98/14/310149814.db2.gz MJKWOULECUFXMW-UHFFFAOYSA-N 1 0 340.855 3.076 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](c2ccncc2)C1 ZINC000451006538 310155145 /nfs/dbraw/zinc/15/51/45/310155145.db2.gz VLXONYBIFBZVJW-HNNXBMFYSA-N 1 0 327.384 3.378 20 5 EGBDRO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](CCC2=CCCCC2)CC1 ZINC000451078260 310159157 /nfs/dbraw/zinc/15/91/57/310159157.db2.gz MGINQECALZBECN-UHFFFAOYSA-N 1 0 343.427 3.243 20 5 EGBDRO Cc1c(CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)cccc1[N+](=O)[O-] ZINC000451126612 310161870 /nfs/dbraw/zinc/16/18/70/310161870.db2.gz DOGBTMRCXSLYLJ-SFHVURJKSA-N 1 0 345.443 3.317 20 5 EGBDRO CO[C@@H]1[C@H](C)[C@H]([NH2+]Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1(C)C ZINC000451497083 310181248 /nfs/dbraw/zinc/18/12/48/310181248.db2.gz JJKRLTYXWHUHMY-XFBWCDHKSA-N 1 0 345.399 3.399 20 5 EGBDRO CCN(CC)C(=O)[C@H](C)[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451543485 310184548 /nfs/dbraw/zinc/18/45/48/310184548.db2.gz BZAKDBYETDFSLM-HOCLYGCPSA-N 1 0 333.432 3.031 20 5 EGBDRO CC(C)N(C)C(=O)[C@H](C)[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451549221 310185425 /nfs/dbraw/zinc/18/54/25/310185425.db2.gz PFIVNMKINDJHKE-HOCLYGCPSA-N 1 0 333.432 3.030 20 5 EGBDRO CC(C)N1CCC[C@H]([N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1=O ZINC000451551787 310185678 /nfs/dbraw/zinc/18/56/78/310185678.db2.gz VIMFUKDBOLWAHD-WMZOPIPTSA-N 1 0 345.443 3.174 20 5 EGBDRO CO[C@@H]1CC[N@@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1C ZINC000451560811 310186555 /nfs/dbraw/zinc/18/65/55/310186555.db2.gz IHXZVPWRMGDZGW-TYNCELHUSA-N 1 0 346.387 3.063 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@@H](c3ccnn3C)C2)cc1[N+](=O)[O-] ZINC000453328201 310271161 /nfs/dbraw/zinc/27/11/61/310271161.db2.gz BSGHQTUAZISIPV-JCKWVBRZSA-N 1 0 344.415 3.208 20 5 EGBDRO COC(=O)C(C)(C)CC[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000475237009 310809081 /nfs/dbraw/zinc/80/90/81/310809081.db2.gz RRUNHLQYXJVRIS-UHFFFAOYSA-N 1 0 348.321 3.293 20 5 EGBDRO COc1ccccc1N1CCN([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000487973860 311045596 /nfs/dbraw/zinc/04/55/96/311045596.db2.gz POCGPIJFPDCXAM-HNNXBMFYSA-N 1 0 341.411 3.487 20 5 EGBDRO C[C@H]1CN(c2ccc3ncccc3c2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000488721107 311076417 /nfs/dbraw/zinc/07/64/17/311076417.db2.gz RDYDCIYVFYOTKA-CQSZACIVSA-N 1 0 340.427 3.454 20 5 EGBDRO C[N@@H+]1CC[C@]2(CCN(c3c(Cl)cc(Cl)cc3[N+](=O)[O-])C2)C1 ZINC000488773372 311079433 /nfs/dbraw/zinc/07/94/33/311079433.db2.gz GCRKWXJDWAZYMJ-AWEZNQCLSA-N 1 0 330.215 3.434 20 5 EGBDRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCC([NH+]2CCCCC2)CC1 ZINC000491236008 311169450 /nfs/dbraw/zinc/16/94/50/311169450.db2.gz DRVVGYGZHUWSQJ-BQYQJAHWSA-N 1 0 343.427 3.085 20 5 EGBDRO CC(C)[N@H+](C)CC1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000491334764 311174109 /nfs/dbraw/zinc/17/41/09/311174109.db2.gz LUBPRTSCYHISGR-TWGQIWQCSA-N 1 0 345.443 3.187 20 5 EGBDRO COC(=O)N1CCC[C@H]([C@H](C)[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000496128817 311666007 /nfs/dbraw/zinc/66/60/07/311666007.db2.gz ZKOUTOCAYFNPFE-XEZPLFJOSA-N 1 0 347.415 3.039 20 5 EGBDRO CC(C)[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(C)CC1 ZINC000501152399 311939717 /nfs/dbraw/zinc/93/97/17/311939717.db2.gz DPYPZMGNELJTDG-KRWDZBQOSA-N 1 0 348.447 3.473 20 5 EGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](O)[C@@H](C)CC ZINC000504911109 312012384 /nfs/dbraw/zinc/01/23/84/312012384.db2.gz ANMKAAYEBOSICC-GZBFAFLISA-N 1 0 326.462 3.462 20 5 EGBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@H](COc3ccccc3)C2)c1 ZINC000505891399 312038262 /nfs/dbraw/zinc/03/82/62/312038262.db2.gz XZVOTSXXKZYDEL-INIZCTEOSA-N 1 0 342.395 3.375 20 5 EGBDRO CC(C)C[NH+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)CC(C)C ZINC000506181778 312043935 /nfs/dbraw/zinc/04/39/35/312043935.db2.gz GCVLTIXKKKZBHO-UHFFFAOYSA-N 1 0 333.432 3.098 20 5 EGBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@@H]1OCCc2ccccc21 ZINC000507254610 312066122 /nfs/dbraw/zinc/06/61/22/312066122.db2.gz HABIHXXUAFOHGJ-IBGZPJMESA-N 1 0 326.396 3.383 20 5 EGBDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CCN1C ZINC000513831482 312218622 /nfs/dbraw/zinc/21/86/22/312218622.db2.gz SAIGIKPQLVRFAP-CYGHRXIMSA-N 1 0 331.460 3.378 20 5 EGBDRO Cn1nccc1[C@@H]1CCC[C@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000515124376 312266508 /nfs/dbraw/zinc/26/65/08/312266508.db2.gz YPXSIXWVFSPXFZ-CABCVRRESA-N 1 0 344.415 3.023 20 5 EGBDRO Cc1ccc([C@@H](C)C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000516454480 312324225 /nfs/dbraw/zinc/32/42/25/312324225.db2.gz RPWIOXGMVMIEMV-YJBOKZPZSA-N 1 0 344.411 3.036 20 5 EGBDRO Cc1cccc(C[C@H](CO)[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000527214748 312842352 /nfs/dbraw/zinc/84/23/52/312842352.db2.gz XVFBWEMVDYQWNB-NVXWUHKLSA-N 1 0 328.412 3.466 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](CO)Cc1ccco1 ZINC000530341884 313521914 /nfs/dbraw/zinc/52/19/14/313521914.db2.gz WATITCQQYAQONB-SBNBMVPLSA-N 1 0 330.384 3.032 20 5 EGBDRO CO[C@]1(C)C[C@@H]([NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000532530528 313811734 /nfs/dbraw/zinc/81/17/34/313811734.db2.gz YZQRZMJJFUEOHI-WBHUJUFNSA-N 1 0 349.431 3.105 20 5 EGBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)CCCc1ccccc1 ZINC000535328543 314040834 /nfs/dbraw/zinc/04/08/34/314040834.db2.gz AHGUOFDOSGLBHP-HNNXBMFYSA-N 1 0 341.411 3.486 20 5 EGBDRO COc1ccc([C@@H](C)[NH2+]CC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000537028234 314157672 /nfs/dbraw/zinc/15/76/72/314157672.db2.gz ORDLRDMZTXYNMQ-CYBMUJFWSA-N 1 0 343.383 3.201 20 5 EGBDRO COC[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccc(F)c(F)c1 ZINC000537095929 314160642 /nfs/dbraw/zinc/16/06/42/314160642.db2.gz XPDZCSSJOPGGOL-KRWDZBQOSA-N 1 0 336.338 3.393 20 5 EGBDRO C[C@@H]1CC[N@H+](CCNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000537500191 314185090 /nfs/dbraw/zinc/18/50/90/314185090.db2.gz JHDBTJAJZPTKCQ-CYBMUJFWSA-N 1 0 346.456 3.150 20 5 EGBDRO COc1ccc(C[NH2+]CCc2ccc(F)c(F)c2F)cc1[N+](=O)[O-] ZINC000544174704 314678294 /nfs/dbraw/zinc/67/82/94/314678294.db2.gz FYAKAFLJEQHLSP-UHFFFAOYSA-N 1 0 340.301 3.353 20 5 EGBDRO CC[C@@H]1C[N@H+](C)CCN1c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000549253947 315083563 /nfs/dbraw/zinc/08/35/63/315083563.db2.gz KWDSCMUYRVLEIY-OAHLLOKOSA-N 1 0 344.390 3.326 20 5 EGBDRO CCC[C@H](C)C(=O)NCC[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000552072109 315195468 /nfs/dbraw/zinc/19/54/68/315195468.db2.gz VVRFGGXBWFTOMQ-GOFCXVBSSA-N 1 0 333.432 3.140 20 5 EGBDRO C[N@H+](Cc1ccccc1)C1CN(c2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000553337720 315258775 /nfs/dbraw/zinc/25/87/75/315258775.db2.gz SRRLQUYEBFUQND-UHFFFAOYSA-N 1 0 348.406 3.464 20 5 EGBDRO C[C@H](Nc1ccc([N+](=O)[O-])c(N)c1F)[C@@H](c1ccccc1)[NH+](C)C ZINC000558607873 315582964 /nfs/dbraw/zinc/58/29/64/315582964.db2.gz BYWVXDHOSGIIQD-GTNSWQLSSA-N 1 0 332.379 3.419 20 5 EGBDRO CCC[C@@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000563617707 316047038 /nfs/dbraw/zinc/04/70/38/316047038.db2.gz IXGRJYHJZKKNMH-HZPDHXFCSA-N 1 0 336.432 3.283 20 5 EGBDRO CN(C)C(=O)c1cccc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000565725148 316362548 /nfs/dbraw/zinc/36/25/48/316362548.db2.gz DDEHEGYDAQCHFJ-KRWDZBQOSA-N 1 0 339.395 3.074 20 5 EGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C1CCN(c2nccs2)CC1 ZINC000568768228 316821220 /nfs/dbraw/zinc/82/12/20/316821220.db2.gz JVJCPLOZFVODTQ-OAHLLOKOSA-N 1 0 344.440 3.297 20 5 EGBDRO COCCNc1ccc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000569258748 316889733 /nfs/dbraw/zinc/88/97/33/316889733.db2.gz KQHLQJXHIQPTML-SFHVURJKSA-N 1 0 341.411 3.430 20 5 EGBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C1CC(C(F)(F)F)C1 ZINC000571413282 317196981 /nfs/dbraw/zinc/19/69/81/317196981.db2.gz NFBLIDRASZIFDB-GRZMOONWSA-N 1 0 345.321 3.242 20 5 EGBDRO O=C(CC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])Nc1ccccc1 ZINC000573457858 317488553 /nfs/dbraw/zinc/48/85/53/317488553.db2.gz HRJHARWVPAZOBV-INIZCTEOSA-N 1 0 325.368 3.201 20 5 EGBDRO CC[C@H]([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CCCO1 ZINC000182302587 323541611 /nfs/dbraw/zinc/54/16/11/323541611.db2.gz NHFMXOYHCIBRBB-JKSUJKDBSA-N 1 0 331.372 3.297 20 5 EGBDRO Cc1nccn1CC[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290911392 456464657 /nfs/dbraw/zinc/46/46/57/456464657.db2.gz PFVQNMKAEVZYHT-UHFFFAOYSA-N 1 0 329.187 3.196 20 5 EGBDRO CN(C)[C@@H](C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])Cc1ccccc1 ZINC000577506940 324820113 /nfs/dbraw/zinc/82/01/13/324820113.db2.gz LJNMJHONHSRKRJ-APWZRJJASA-N 1 0 339.439 3.345 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+]C1(c2ccccc2)CCOCC1 ZINC000578827712 325022724 /nfs/dbraw/zinc/02/27/24/325022724.db2.gz MJLFTYINXDGRNN-UHFFFAOYSA-N 1 0 342.395 3.399 20 5 EGBDRO C[C@H](C(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000582583034 325452343 /nfs/dbraw/zinc/45/23/43/325452343.db2.gz OSONGTRYPYWXRX-KBXCAEBGSA-N 1 0 341.411 3.117 20 5 EGBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]C2Cc3ccccc3C2)n1 ZINC000583479946 325527576 /nfs/dbraw/zinc/52/75/76/325527576.db2.gz RLWZPGLVHUUXPL-SJORKVTESA-N 1 0 326.400 3.032 20 5 EGBDRO CC(C)OCCOC1CC[NH+]([C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000583822848 325554693 /nfs/dbraw/zinc/55/46/93/325554693.db2.gz ZOMHITADGNGSNY-SFHVURJKSA-N 1 0 348.443 3.488 20 5 EGBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@]2(O)CCC[C@H](C(F)(F)F)C2)cs1 ZINC000189602241 455222932 /nfs/dbraw/zinc/22/29/32/455222932.db2.gz KPPPIXXKGFUOEU-JQWIXIFHSA-N 1 0 338.351 3.230 20 5 EGBDRO [NH3+][C@H](CC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000237850975 455225897 /nfs/dbraw/zinc/22/58/97/455225897.db2.gz ZBYYTELERLIWHA-GOSISDBHSA-N 1 0 341.411 3.124 20 5 EGBDRO CC[N@H+](CC1CC1)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000157892151 455245314 /nfs/dbraw/zinc/24/53/14/455245314.db2.gz YEPDEBWISUJNJC-JTQLQIEISA-N 1 0 325.796 3.307 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C)cc1C[NH+](C)C ZINC000180859449 455256343 /nfs/dbraw/zinc/25/63/43/455256343.db2.gz UWVBATIPAYDZTA-UHFFFAOYSA-N 1 0 343.383 3.226 20 5 EGBDRO CCN(Cc1ccccc1)C(=O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173358939 455272663 /nfs/dbraw/zinc/27/26/63/455272663.db2.gz OFMYIUNLRIFGIW-HNNXBMFYSA-N 1 0 341.411 3.294 20 5 EGBDRO CC(=O)Nc1ccc(CC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000173382393 455276783 /nfs/dbraw/zinc/27/67/83/455276783.db2.gz HREDIXOHJPVPOY-CYBMUJFWSA-N 1 0 327.384 3.447 20 5 EGBDRO COc1ccc(C[N@H+](Cc2ccccc2)CC(C)(C)O)cc1[N+](=O)[O-] ZINC000181150666 455294565 /nfs/dbraw/zinc/29/45/65/455294565.db2.gz JVVZOWJGOJEPJM-UHFFFAOYSA-N 1 0 344.411 3.377 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1[C@H](C)C[C@@H]2CCCC[C@@H]21 ZINC000245450589 455303989 /nfs/dbraw/zinc/30/39/89/455303989.db2.gz OTRPGBRFHOQIIS-KEYYUXOJSA-N 1 0 331.416 3.495 20 5 EGBDRO COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000007587232 453090492 /nfs/dbraw/zinc/09/04/92/453090492.db2.gz MYWXLZRLDVHHSV-BBRMVZONSA-N 1 0 347.415 3.197 20 5 EGBDRO C[NH+](C)Cc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000008062808 453155611 /nfs/dbraw/zinc/15/56/11/453155611.db2.gz NNSIACQXBWRPPO-UHFFFAOYSA-N 1 0 347.802 3.240 20 5 EGBDRO COc1ccc2[nH]cc(CC[NH2+]Cc3ccc([N+](=O)[O-])cc3)c2c1 ZINC000013737396 453486435 /nfs/dbraw/zinc/48/64/35/453486435.db2.gz RNBLGGTZIQMPGY-UHFFFAOYSA-N 1 0 325.368 3.417 20 5 EGBDRO Cc1ccccc1C[N@@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000016585947 453613536 /nfs/dbraw/zinc/61/35/36/453613536.db2.gz OJERQBSANXLAJE-AWEZNQCLSA-N 1 0 327.384 3.362 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cccc4ccccc43)CC2)cn1 ZINC000026482831 453801499 /nfs/dbraw/zinc/80/14/99/453801499.db2.gz ZJBAAMMRYHREMH-UHFFFAOYSA-N 1 0 348.406 3.465 20 5 EGBDRO CCOc1ccc(NC(=O)C[N@H+](C)[C@@H](C)C(C)(C)C)c([N+](=O)[O-])c1 ZINC000027132356 453811363 /nfs/dbraw/zinc/81/13/63/453811363.db2.gz RNHROUWHRMYWMC-LBPRGKRZSA-N 1 0 337.420 3.298 20 5 EGBDRO CC[N@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C1CCCCC1 ZINC000027284911 453814665 /nfs/dbraw/zinc/81/46/65/453814665.db2.gz PVMSRKFTNWMULX-UHFFFAOYSA-N 1 0 335.404 3.197 20 5 EGBDRO C[NH+](C)[C@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000066403365 453842420 /nfs/dbraw/zinc/84/24/20/453842420.db2.gz GOBIBKGWVRLJHT-MRXNPFEDSA-N 1 0 346.362 3.158 20 5 EGBDRO C[NH+](C)Cc1cccc(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000033084772 453904420 /nfs/dbraw/zinc/90/44/20/453904420.db2.gz WJIPSGSEBJUASE-UHFFFAOYSA-N 1 0 347.802 3.240 20 5 EGBDRO CCCCNC(=O)C1CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000075588772 453908780 /nfs/dbraw/zinc/90/87/80/453908780.db2.gz XUJZHMNESVRHAA-AWEZNQCLSA-N 1 0 333.432 3.284 20 5 EGBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000054226548 453917761 /nfs/dbraw/zinc/91/77/61/453917761.db2.gz BTPOSXAGZKPHKR-YOEHRIQHSA-N 1 0 339.395 3.160 20 5 EGBDRO CC[NH+](CC)C[C@@H]1CCN(CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000076004337 453948591 /nfs/dbraw/zinc/94/85/91/453948591.db2.gz VLMOAKYYNUBFKR-INIZCTEOSA-N 1 0 335.448 3.027 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCCN(Cc2ccccc2)C1 ZINC000067803660 453967661 /nfs/dbraw/zinc/96/76/61/453967661.db2.gz UAGWYJMRTYMSIM-GOSISDBHSA-N 1 0 325.412 3.349 20 5 EGBDRO C[NH+](C)CCc1ccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 ZINC000076169791 453974497 /nfs/dbraw/zinc/97/44/97/453974497.db2.gz HFPGQCWQDLPJHY-KPKJPENVSA-N 1 0 339.395 3.351 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000085620987 454035493 /nfs/dbraw/zinc/03/54/93/454035493.db2.gz SNILZQSYRSPTOJ-CQSZACIVSA-N 1 0 348.447 3.454 20 5 EGBDRO Cc1cc(NCc2ccc(OCC[NH+](C)C)cc2)ccc1[N+](=O)[O-] ZINC000076836321 454041851 /nfs/dbraw/zinc/04/18/51/454041851.db2.gz POWHBZUOAJYSSM-UHFFFAOYSA-N 1 0 329.400 3.456 20 5 EGBDRO C[C@@H]([NH2+][C@@H](C)C(=O)NC1CCC(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000056195921 454043366 /nfs/dbraw/zinc/04/33/66/454043366.db2.gz LAJRTUBEVUTDQY-IQXANGCESA-N 1 0 333.432 3.329 20 5 EGBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000087124452 454064809 /nfs/dbraw/zinc/06/48/09/454064809.db2.gz GRZYZXBDXAVPHP-IYBDPMFKSA-N 1 0 347.459 3.012 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C3CCCC3)CC2)c2ncccc12 ZINC000045026707 454133877 /nfs/dbraw/zinc/13/38/77/454133877.db2.gz HWUJKVVBOSYUHY-UHFFFAOYSA-N 1 0 326.400 3.208 20 5 EGBDRO COc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2CC(C)C)c([N+](=O)[O-])c1 ZINC000130317764 454190680 /nfs/dbraw/zinc/19/06/80/454190680.db2.gz WERRPQSOGYAPEN-ZDUSSCGKSA-N 1 0 335.404 3.052 20 5 EGBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000058365387 454193881 /nfs/dbraw/zinc/19/38/81/454193881.db2.gz FBHRQYRVTITADV-CKEIUWERSA-N 1 0 331.416 3.072 20 5 EGBDRO CCCC[NH+]1CCC(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000071970321 454262445 /nfs/dbraw/zinc/26/24/45/454262445.db2.gz YRCWCQZAPJVGGD-UHFFFAOYSA-N 1 0 339.823 3.243 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[N@@H+](Cc2ccco2)C[C@@H]2CCCO2)cc1 ZINC000060039622 454267097 /nfs/dbraw/zinc/26/70/97/454267097.db2.gz MIWDIBCVTKGCBN-SFHVURJKSA-N 1 0 330.384 3.412 20 5 EGBDRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])o1)c1ccccc1 ZINC000046708238 454276408 /nfs/dbraw/zinc/27/64/08/454276408.db2.gz IJWIXYYUQAGYHD-AWEZNQCLSA-N 1 0 331.372 3.001 20 5 EGBDRO C[C@@H]1C[C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C[C@H](c2ccccc2)C1 ZINC000090538525 454318848 /nfs/dbraw/zinc/31/88/48/454318848.db2.gz HKQNOCOBMDCWTF-USXIJHARSA-N 1 0 328.416 3.353 20 5 EGBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@H](c1ccccc1)C1CCCC1 ZINC000090554269 454321595 /nfs/dbraw/zinc/32/15/95/454321595.db2.gz UYJRZWNRWQHHAK-LJQANCHMSA-N 1 0 341.411 3.278 20 5 EGBDRO COc1cc(NCC[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc(OC)c1 ZINC000090719847 454337887 /nfs/dbraw/zinc/33/78/87/454337887.db2.gz SRUTZEZYHXTGAQ-ZDUSSCGKSA-N 1 0 345.399 3.375 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCN(c3ccccn3)C2)cc1[N+](=O)[O-] ZINC000090801435 454341260 /nfs/dbraw/zinc/34/12/60/454341260.db2.gz CEYSAFANZWLPEO-ZBFHGGJFSA-N 1 0 326.400 3.228 20 5 EGBDRO COc1ccc(C[N@@H+]2CCCN(c3ccsc3[N+](=O)[O-])CC2)cc1 ZINC000063257331 454399410 /nfs/dbraw/zinc/39/94/10/454399410.db2.gz PCWOVEGSCJKOME-UHFFFAOYSA-N 1 0 347.440 3.377 20 5 EGBDRO Cc1cc(C(=O)NC2CC[NH+](CC3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000063272842 454401349 /nfs/dbraw/zinc/40/13/49/454401349.db2.gz ZGEMETZRJKITLK-UHFFFAOYSA-N 1 0 345.443 3.288 20 5 EGBDRO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1nc2ccccc2n1C ZINC000091373238 454431334 /nfs/dbraw/zinc/43/13/34/454431334.db2.gz WIIDFVUVLRUDAC-ZDUSSCGKSA-N 1 0 340.383 3.211 20 5 EGBDRO Cc1ccc(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)c(C)n1 ZINC000121562989 454451923 /nfs/dbraw/zinc/45/19/23/454451923.db2.gz BNGONBBQNVDJCU-UHFFFAOYSA-N 1 0 337.339 3.045 20 5 EGBDRO C[NH+](C)Cc1ccccc1NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000048173982 454451892 /nfs/dbraw/zinc/45/18/92/454451892.db2.gz GUFPJHGSXXASRJ-UHFFFAOYSA-N 1 0 345.424 3.387 20 5 EGBDRO Cc1ccc([C@H](CNc2nc3sccn3c2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000064114207 454466953 /nfs/dbraw/zinc/46/69/53/454466953.db2.gz ZHAYXDUWGPOAMK-ZDUSSCGKSA-N 1 0 345.428 3.327 20 5 EGBDRO COc1cc(C[NH2+]CCc2c[nH]c3ccccc23)c([N+](=O)[O-])cc1O ZINC000101588616 454475738 /nfs/dbraw/zinc/47/57/38/454475738.db2.gz VUMDIXNBLUBJLZ-UHFFFAOYSA-N 1 0 341.367 3.123 20 5 EGBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000064735869 454500985 /nfs/dbraw/zinc/50/09/85/454500985.db2.gz QBHXTZYAQONJPX-SCRDCRAPSA-N 1 0 337.445 3.134 20 5 EGBDRO COC(=O)[C@@H](C)[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000079937823 454501348 /nfs/dbraw/zinc/50/13/48/454501348.db2.gz CZKWYUUEUYKFKB-KBXCAEBGSA-N 1 0 342.395 3.277 20 5 EGBDRO CC(C)c1ccc(C[N@@H+]2CCC[C@@H](Cn3ccnn3)C2)cc1[N+](=O)[O-] ZINC000092070350 454514091 /nfs/dbraw/zinc/51/40/91/454514091.db2.gz BIRGUUIGXQAECY-MRXNPFEDSA-N 1 0 343.431 3.222 20 5 EGBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)nc1 ZINC000065202001 454537519 /nfs/dbraw/zinc/53/75/19/454537519.db2.gz WPXZSKRQLSMVLK-INIZCTEOSA-N 1 0 326.400 3.314 20 5 EGBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000134708720 454580335 /nfs/dbraw/zinc/58/03/35/454580335.db2.gz TVCRVLQNIXCUSB-GFCCVEGCSA-N 1 0 339.823 3.098 20 5 EGBDRO C[C@H]([NH2+]CC1(N2CCOCC2)CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000080464721 454585544 /nfs/dbraw/zinc/58/55/44/454585544.db2.gz DCKMLSDTEZPGPE-INIZCTEOSA-N 1 0 347.459 3.281 20 5 EGBDRO COCc1cc([N+](=O)[O-])ccc1NCC[N@@H+]1CCc2sccc2C1 ZINC000080582991 454602453 /nfs/dbraw/zinc/60/24/53/454602453.db2.gz PSYWREDHDXVTIV-UHFFFAOYSA-N 1 0 347.440 3.273 20 5 EGBDRO Cc1c(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cccc1[N+](=O)[O-] ZINC000134903135 454606981 /nfs/dbraw/zinc/60/69/81/454606981.db2.gz XTWNZOFQXXOLLZ-VQIMIIECSA-N 1 0 329.444 3.352 20 5 EGBDRO CC[C@@H]1C[C@H](C)C[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000080747813 454627562 /nfs/dbraw/zinc/62/75/62/454627562.db2.gz ANIOOWDWZHRZOP-QWHCGFSZSA-N 1 0 335.404 3.052 20 5 EGBDRO Cc1ccc([C@@H](CNc2cc(C)c([N+](=O)[O-])cn2)[NH+]2CCCC2)o1 ZINC000074745978 454629436 /nfs/dbraw/zinc/62/94/36/454629436.db2.gz UJROCMBMZHETAU-OAHLLOKOSA-N 1 0 330.388 3.449 20 5 EGBDRO CN(C(=O)CC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000135142974 454638638 /nfs/dbraw/zinc/63/86/38/454638638.db2.gz MNMROGNSFURFBJ-UHFFFAOYSA-N 1 0 339.395 3.006 20 5 EGBDRO COc1ccc(-c2ccc(C[NH2+]C[C@H](C)C[C@H](C)O)o2)c([N+](=O)[O-])c1 ZINC000123460009 454640313 /nfs/dbraw/zinc/64/03/13/454640313.db2.gz YVHULZMMHLDCJX-OLZOCXBDSA-N 1 0 348.399 3.360 20 5 EGBDRO CC1CCN(C(=O)C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000052158622 454656051 /nfs/dbraw/zinc/65/60/51/454656051.db2.gz XQIHDQXAZPNUMK-UHFFFAOYSA-N 1 0 345.443 3.065 20 5 EGBDRO CC[C@H]([NH2+]CCc1cn2c(n1)CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000152786343 454725997 /nfs/dbraw/zinc/72/59/97/454725997.db2.gz AEXDYKRRINKJJG-KRWDZBQOSA-N 1 0 328.416 3.411 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(NC2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000176494442 454752268 /nfs/dbraw/zinc/75/22/68/454752268.db2.gz ANZOONVZHBJHAM-UHFFFAOYSA-N 1 0 326.400 3.375 20 5 EGBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000139950545 454814362 /nfs/dbraw/zinc/81/43/62/454814362.db2.gz CQWMUXSQNFSWTL-CKEIUWERSA-N 1 0 346.431 3.464 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000163171296 454827671 /nfs/dbraw/zinc/82/76/71/454827671.db2.gz RTMAKBPRFGDIKV-UHFFFAOYSA-N 1 0 342.399 3.287 20 5 EGBDRO Cc1cc(NC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000153821508 454836751 /nfs/dbraw/zinc/83/67/51/454836751.db2.gz NAFGGWBPTOZJDH-OAHLLOKOSA-N 1 0 334.420 3.241 20 5 EGBDRO COC(=O)C(C)(C)C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000182229676 455467052 /nfs/dbraw/zinc/46/70/52/455467052.db2.gz WWMWSQQKIKMGES-UHFFFAOYSA-N 1 0 332.356 3.144 20 5 EGBDRO CC(C)(O)[C@H]1CCC[N@@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000154460992 454899223 /nfs/dbraw/zinc/89/92/23/454899223.db2.gz VZYATBJHYZJWRN-OAHLLOKOSA-N 1 0 347.440 3.454 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H](c2ccccc2)c2ccccn2)c1 ZINC000154477679 454900601 /nfs/dbraw/zinc/90/06/01/454900601.db2.gz DNDOONGGQGWURY-VQTJNVASSA-N 1 0 349.390 3.402 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCc1nnc2n1CCCCC2 ZINC000126627763 454906692 /nfs/dbraw/zinc/90/66/92/454906692.db2.gz DPOMXKMJQYTFRN-AWEZNQCLSA-N 1 0 343.431 3.114 20 5 EGBDRO COc1cc(C[N@@H+]2CC[C@@H](C)[C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000177904965 454918325 /nfs/dbraw/zinc/91/83/25/454918325.db2.gz TVGLADWKRFNWRU-NXEZZACHSA-N 1 0 330.331 3.435 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(c3ncccc3F)C2)cc1[N+](=O)[O-] ZINC000168158242 454924915 /nfs/dbraw/zinc/92/49/15/454924915.db2.gz NHUZSKJEXPVZMX-DZGCQCFKSA-N 1 0 344.390 3.367 20 5 EGBDRO Cc1ccccc1C[C@H](CO)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000191564434 455497732 /nfs/dbraw/zinc/49/77/32/455497732.db2.gz PWABDNSJSXHNMF-DOTOQJQBSA-N 1 0 328.412 3.466 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCC[N@@H+](C)C1CCCC1 ZINC000127683051 454987604 /nfs/dbraw/zinc/98/76/04/454987604.db2.gz OGUCZZPORBKDSH-UHFFFAOYSA-N 1 0 334.420 3.208 20 5 EGBDRO CCO[C@@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000155475914 455006466 /nfs/dbraw/zinc/00/64/66/455006466.db2.gz OOIWJEIPQZLIBF-CYBMUJFWSA-N 1 0 330.331 3.197 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+]CCCN2CCCCCC2=O)cc1[N+](=O)[O-] ZINC000155508211 455010016 /nfs/dbraw/zinc/01/00/16/455010016.db2.gz QEAPEEIMOJDUTR-OAHLLOKOSA-N 1 0 333.432 3.347 20 5 EGBDRO COCc1cccc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000179195892 455018815 /nfs/dbraw/zinc/01/88/15/455018815.db2.gz JDJWZTKDYBTAKH-UHFFFAOYSA-N 1 0 341.411 3.063 20 5 EGBDRO C[C@H]1C[C@@H](c2ccccc2)C[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000115554092 455020070 /nfs/dbraw/zinc/02/00/70/455020070.db2.gz VTFKHPVVVOSDRE-SUMWQHHRSA-N 1 0 339.395 3.072 20 5 EGBDRO CC1CCC([NH+]2CCN(CCOc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000115567568 455021389 /nfs/dbraw/zinc/02/13/89/455021389.db2.gz FQXBNYNVGLRKIW-UHFFFAOYSA-N 1 0 347.459 3.170 20 5 EGBDRO CCCCNC(=O)C1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000179329820 455034177 /nfs/dbraw/zinc/03/41/77/455034177.db2.gz NENZWPRHMRFFNT-SOFGYWHQSA-N 1 0 345.443 3.236 20 5 EGBDRO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1cccc(N2CCOC2=O)c1 ZINC000171128728 455034355 /nfs/dbraw/zinc/03/43/55/455034355.db2.gz JAWBCBGFCBONTN-ZDUSSCGKSA-N 1 0 341.367 3.402 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCCN(CC(F)F)CC1 ZINC000182994218 455206586 /nfs/dbraw/zinc/20/65/86/455206586.db2.gz XLSMEHGMFZCEOV-ZDUSSCGKSA-N 1 0 327.375 3.237 20 5 EGBDRO CC(C)(C)OC(=O)N1CC=C(C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000189497048 455207336 /nfs/dbraw/zinc/20/73/36/455207336.db2.gz RSTVGULKPGSUKP-UHFFFAOYSA-N 1 0 347.415 3.252 20 5 EGBDRO C[C@H](O)[C@H]1CCCC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000264410863 455207765 /nfs/dbraw/zinc/20/77/65/455207765.db2.gz JLEFAEPFHXVJKA-XJKSGUPXSA-N 1 0 345.399 3.028 20 5 EGBDRO C[C@@H](C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)[C@H]([NH3+])c1ccccc1 ZINC000237700255 455209078 /nfs/dbraw/zinc/20/90/78/455209078.db2.gz MTDPGYLXKHEYFY-DYVFJYSZSA-N 1 0 341.411 3.282 20 5 EGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CO)Cc1ccccc1 ZINC000158209999 455280233 /nfs/dbraw/zinc/28/02/33/455280233.db2.gz GNRCQVMDUVXXCC-MAUKXSAKSA-N 1 0 328.412 3.109 20 5 EGBDRO C[C@H](C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000173463747 455287708 /nfs/dbraw/zinc/28/77/08/455287708.db2.gz GUQCYPBYAWZVFV-ZBFHGGJFSA-N 1 0 326.400 3.280 20 5 EGBDRO Cc1ccnc(N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)c1[N+](=O)[O-] ZINC000265188658 455302388 /nfs/dbraw/zinc/30/23/88/455302388.db2.gz KKQLTNYQXXXHQN-HZPDHXFCSA-N 1 0 332.448 3.389 20 5 EGBDRO C[C@@H](C(=O)NCc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000183850892 455333449 /nfs/dbraw/zinc/33/34/49/455333449.db2.gz XVZKWBYTGDUXCB-TUAOUCFPSA-N 1 0 339.823 3.126 20 5 EGBDRO C[NH+](C)[C@H](CNc1ncc([N+](=O)[O-])cc1Cl)c1cccs1 ZINC000265518902 455337613 /nfs/dbraw/zinc/33/76/13/455337613.db2.gz LQZRNKWXNVRRNZ-LLVKDONJSA-N 1 0 326.809 3.420 20 5 EGBDRO C[N@H+](CCc1ccncc1)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000181481840 455342389 /nfs/dbraw/zinc/34/23/89/455342389.db2.gz MQQXDZGRNFMIHT-UHFFFAOYSA-N 1 0 338.367 3.319 20 5 EGBDRO CC[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1nc(C)cs1 ZINC000184369675 455374985 /nfs/dbraw/zinc/37/49/85/455374985.db2.gz CHSVMWYDRLJABT-CQSZACIVSA-N 1 0 348.428 3.429 20 5 EGBDRO CC(C)OCCC[N@H+](C)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000265864537 455395271 /nfs/dbraw/zinc/39/52/71/455395271.db2.gz KSQHBSPKPRRWJP-ZDUSSCGKSA-N 1 0 348.403 3.453 20 5 EGBDRO CN1CCC[C@@H]1C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000245983071 455410805 /nfs/dbraw/zinc/41/08/05/455410805.db2.gz PQVPGGIALCLWPA-RTBURBONSA-N 1 0 325.412 3.368 20 5 EGBDRO Cc1c(C(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000182089089 455433201 /nfs/dbraw/zinc/43/32/01/455433201.db2.gz QHJNNWLANJMNFH-CQSZACIVSA-N 1 0 341.411 3.154 20 5 EGBDRO C[C@H](c1cccc(F)c1)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000246134577 455434271 /nfs/dbraw/zinc/43/42/71/455434271.db2.gz JNSVTQYOFWDMGD-IUODEOHRSA-N 1 0 330.363 3.376 20 5 EGBDRO C[C@H]([NH2+][C@H](CO)Cc1c[nH]c2ccccc12)c1cccc([N+](=O)[O-])c1 ZINC000266758015 455448435 /nfs/dbraw/zinc/44/84/35/455448435.db2.gz FMOWRKBARZWZAX-BBRMVZONSA-N 1 0 339.395 3.330 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(CC(=O)N(C)C)CC1 ZINC000182181242 455454278 /nfs/dbraw/zinc/45/42/78/455454278.db2.gz LPDDHQNLCNFBLK-AWEZNQCLSA-N 1 0 333.432 3.155 20 5 EGBDRO CC(C)[NH+](CCCNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(C)C ZINC000266812402 455456332 /nfs/dbraw/zinc/45/63/32/455456332.db2.gz ODPQQPNEHDAVEQ-UHFFFAOYSA-N 1 0 341.839 3.487 20 5 EGBDRO C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000266921161 455476003 /nfs/dbraw/zinc/47/60/03/455476003.db2.gz YQEPIVNMDNZGCU-KBXCAEBGSA-N 1 0 339.395 3.047 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCC[N@@H+](C)C1CCCC1 ZINC000191343159 455478744 /nfs/dbraw/zinc/47/87/44/455478744.db2.gz RVSXWVXMEOOVHP-UHFFFAOYSA-N 1 0 334.420 3.208 20 5 EGBDRO Cc1ccc(C[C@@H](CO)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000191582118 455499854 /nfs/dbraw/zinc/49/98/54/455499854.db2.gz ZPKBXSBATZCMPT-YJBOKZPZSA-N 1 0 328.412 3.466 20 5 EGBDRO CC(C)(C)OC(=O)NC[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000185203427 455520867 /nfs/dbraw/zinc/52/08/67/455520867.db2.gz SOMOHLURXBAXBN-INIZCTEOSA-N 1 0 349.431 3.030 20 5 EGBDRO Cc1ccc([C@H](C)NC(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)cc1[N+](=O)[O-] ZINC000246855659 455530217 /nfs/dbraw/zinc/53/02/17/455530217.db2.gz CIJBUPIBLZTBBR-KBXIAJHMSA-N 1 0 333.432 3.342 20 5 EGBDRO CCOC(=O)C[C@@H](C)[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000182626471 455555326 /nfs/dbraw/zinc/55/53/26/455555326.db2.gz METGKXCPKYWTMN-CYBMUJFWSA-N 1 0 338.404 3.156 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000192118233 455559712 /nfs/dbraw/zinc/55/97/12/455559712.db2.gz JSKKNHBMICNEKI-WBVHZDCISA-N 1 0 334.322 3.493 20 5 EGBDRO CCOC(=O)C1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000185650468 455589691 /nfs/dbraw/zinc/58/96/91/455589691.db2.gz SRJNINTYEQVXEN-UHFFFAOYSA-N 1 0 340.807 3.460 20 5 EGBDRO Nc1ccc(NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000283967792 455617847 /nfs/dbraw/zinc/61/78/47/455617847.db2.gz ZEJNEOKQDMWCHV-INIZCTEOSA-N 1 0 340.427 3.154 20 5 EGBDRO CCOc1cc(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)ccc1OC ZINC000283993172 455620328 /nfs/dbraw/zinc/62/03/28/455620328.db2.gz HKHIOVFEWKERDR-LBPRGKRZSA-N 1 0 345.399 3.435 20 5 EGBDRO Cc1ccc(C[N@@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)cc1[N+](=O)[O-] ZINC000271424488 455632305 /nfs/dbraw/zinc/63/23/05/455632305.db2.gz ZZSAZOUVUBARAC-HNNXBMFYSA-N 1 0 341.415 3.278 20 5 EGBDRO C[N@H+](CCC(=O)N1CCc2ccccc21)Cc1ccccc1[N+](=O)[O-] ZINC000192640961 455660121 /nfs/dbraw/zinc/66/01/21/455660121.db2.gz FGVNJUCKQHWFKK-UHFFFAOYSA-N 1 0 339.395 3.006 20 5 EGBDRO C[C@@H]1C[N@H+](CCCNc2ccc([N+](=O)[O-])c3cnccc23)CCCO1 ZINC000277830938 455680269 /nfs/dbraw/zinc/68/02/69/455680269.db2.gz ZKPJHGFXPFQPFM-CQSZACIVSA-N 1 0 344.415 3.056 20 5 EGBDRO COc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000271613047 455700761 /nfs/dbraw/zinc/70/07/61/455700761.db2.gz BYHMMZOWIMUZIM-ZDUSSCGKSA-N 1 0 343.383 3.201 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000277900577 455702634 /nfs/dbraw/zinc/70/26/34/455702634.db2.gz LWDOXJRYKFIFIZ-HNNXBMFYSA-N 1 0 333.432 3.288 20 5 EGBDRO COC1(C)CC[NH+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000271690647 455723754 /nfs/dbraw/zinc/72/37/54/455723754.db2.gz FGINDJCKYNZASA-UHFFFAOYSA-N 1 0 331.372 3.251 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@@H]1COC2(CCCC2)O1)C1CC1 ZINC000271726475 455735886 /nfs/dbraw/zinc/73/58/86/455735886.db2.gz OLKXLBBYSMJQQU-IAGOWNOFSA-N 1 0 346.427 3.191 20 5 EGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@](C)(O)c1cccs1 ZINC000268952528 455743344 /nfs/dbraw/zinc/74/33/44/455743344.db2.gz CPJYQYNVCFWTJY-DYVFJYSZSA-N 1 0 334.441 3.475 20 5 EGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@](C)(O)c1ccsc1 ZINC000269005400 455760263 /nfs/dbraw/zinc/76/02/63/455760263.db2.gz QLPCQIFZLKTPMP-SUMWQHHRSA-N 1 0 334.441 3.475 20 5 EGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1COC2(CCCC2)O1 ZINC000271805323 455767904 /nfs/dbraw/zinc/76/79/04/455767904.db2.gz YFSLQLANENUTLB-GOEBONIOSA-N 1 0 334.416 3.191 20 5 EGBDRO C[C@@H](NC(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000249751063 455773265 /nfs/dbraw/zinc/77/32/65/455773265.db2.gz AYKMQNGGDKWCDP-QLFBSQMISA-N 1 0 348.447 3.075 20 5 EGBDRO COC1(C[NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000186507480 455782613 /nfs/dbraw/zinc/78/26/13/455782613.db2.gz SUAJICXHGKTAAD-CQSZACIVSA-N 1 0 349.431 3.251 20 5 EGBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H]2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000194005451 455790698 /nfs/dbraw/zinc/79/06/98/455790698.db2.gz UMIXXSCWLAELLE-TZMCWYRMSA-N 1 0 335.404 3.100 20 5 EGBDRO O=[N+]([O-])c1cc(Br)ccc1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252673730 455827084 /nfs/dbraw/zinc/82/70/84/455827084.db2.gz LQRCYPRNEWJYQB-NEPJUHHUSA-N 1 0 340.221 3.396 20 5 EGBDRO CN(C(=O)CC[N@H+](C)CCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000285420283 455841149 /nfs/dbraw/zinc/84/11/49/455841149.db2.gz VRUFQEAQCBTILA-UHFFFAOYSA-N 1 0 341.411 3.122 20 5 EGBDRO C[NH+]1CCC([C@H]2CCN(c3ccc([N+](=O)[O-])c4cccnc43)C2)CC1 ZINC000270156112 455891042 /nfs/dbraw/zinc/89/10/42/455891042.db2.gz ISDLVBNGSNVJHP-HNNXBMFYSA-N 1 0 340.427 3.311 20 5 EGBDRO CC(C)(C)OC(=O)N1CC[C@@](C)(C[NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000195190833 455930631 /nfs/dbraw/zinc/93/06/31/455930631.db2.gz FLCOBSGFODPDEY-SFHVURJKSA-N 1 0 349.431 3.332 20 5 EGBDRO O=[N+]([O-])c1cnn(CC[N@H+]2CC=C(c3cccc(Cl)c3)CC2)c1 ZINC000280309842 455943955 /nfs/dbraw/zinc/94/39/55/455943955.db2.gz WTBUKAWZALDPCP-UHFFFAOYSA-N 1 0 332.791 3.234 20 5 EGBDRO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000187958834 455972840 /nfs/dbraw/zinc/97/28/40/455972840.db2.gz POTWZCYKAHGTQG-OLZOCXBDSA-N 1 0 335.404 3.052 20 5 EGBDRO COC[C@]1(C)CC[N@@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000296577743 455978765 /nfs/dbraw/zinc/97/87/65/455978765.db2.gz DPPQRVGOVMOEOR-YVEFUNNKSA-N 1 0 346.387 3.064 20 5 EGBDRO CO[C@@]1(C)CCC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000280559367 455999675 /nfs/dbraw/zinc/99/96/75/455999675.db2.gz QZZVGRSIFDFCQL-KDOFPFPSSA-N 1 0 349.431 3.121 20 5 EGBDRO CCS[C@H]1CCC[C@@H]1[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000286228663 456004396 /nfs/dbraw/zinc/00/43/96/456004396.db2.gz RGCVOKAWOHIPKJ-KBPBESRZSA-N 1 0 348.428 3.409 20 5 EGBDRO CO[C@]1(C)CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000280620795 456015935 /nfs/dbraw/zinc/01/59/35/456015935.db2.gz WNXLGAUMGVTKIK-GOSISDBHSA-N 1 0 349.431 3.123 20 5 EGBDRO Cc1cccc(CC[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)n1 ZINC000280662398 456025570 /nfs/dbraw/zinc/02/55/70/456025570.db2.gz SZWMIIAOJQSNQD-UHFFFAOYSA-N 1 0 337.326 3.232 20 5 EGBDRO O=[N+]([O-])c1ccc(C[N@@H+](C[C@@H](O)c2ccccc2F)C2CC2)cc1 ZINC000270875382 456057821 /nfs/dbraw/zinc/05/78/21/456057821.db2.gz KJBCSKORJMMCOX-GOSISDBHSA-N 1 0 330.359 3.432 20 5 EGBDRO Cc1nn(C)c(NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000301315540 456088528 /nfs/dbraw/zinc/08/85/28/456088528.db2.gz MPXOAHVIFPQPIL-AWEZNQCLSA-N 1 0 343.431 3.274 20 5 EGBDRO C[C@@H](NC(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000332636102 456103393 /nfs/dbraw/zinc/10/33/93/456103393.db2.gz YBVNPIAZJZLJAC-RBSFLKMASA-N 1 0 348.447 3.075 20 5 EGBDRO CN(CC[C@H]1CCCC[N@@H+]1C)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000301436177 456115084 /nfs/dbraw/zinc/11/50/84/456115084.db2.gz HNGRBYWUOZZNNT-CQSZACIVSA-N 1 0 328.416 3.454 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000272933807 456116590 /nfs/dbraw/zinc/11/65/90/456116590.db2.gz QQEFKNVLCYJSJG-GJZGRUSLSA-N 1 0 345.443 3.286 20 5 EGBDRO CN(CC[C@H]1CCCC[N@@H+]1C)c1ccc([N+](=O)[O-])c2cnccc21 ZINC000301460977 456121824 /nfs/dbraw/zinc/12/18/24/456121824.db2.gz OCORDOUHFGDWLN-CQSZACIVSA-N 1 0 328.416 3.454 20 5 EGBDRO C[C@@H](NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1=CC[N@H+](C)CC1 ZINC000272955020 456123583 /nfs/dbraw/zinc/12/35/83/456123583.db2.gz NATPUZVKVRYPHG-SNVBAGLBSA-N 1 0 338.795 3.020 20 5 EGBDRO C[C@H]1C[NH+](CCCCNc2ccc(F)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000301543616 456142090 /nfs/dbraw/zinc/14/20/90/456142090.db2.gz DEALPMOKYLHQMX-STQMWFEESA-N 1 0 325.384 3.035 20 5 EGBDRO COCCO[C@@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000188818115 456145321 /nfs/dbraw/zinc/14/53/21/456145321.db2.gz RPCFJBSQKSADNL-MRXNPFEDSA-N 1 0 346.383 3.092 20 5 EGBDRO CN(C(=O)[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1ccccc1 ZINC000281157213 456149488 /nfs/dbraw/zinc/14/94/88/456149488.db2.gz POIIKRYEOQGQRJ-MRXNPFEDSA-N 1 0 339.395 3.080 20 5 EGBDRO C[C@@H]1C[NH+](CCC2CCN(c3ccccc3[N+](=O)[O-])CC2)C[C@@H](C)O1 ZINC000301596326 456155974 /nfs/dbraw/zinc/15/59/74/456155974.db2.gz ZILRADMKSXZNMB-HZPDHXFCSA-N 1 0 347.459 3.311 20 5 EGBDRO COc1cc(CN2CC(C)(C)[C@H]2[C@@H]2CCCO2)c([N+](=O)[O-])cc1F ZINC000289886990 456168463 /nfs/dbraw/zinc/16/84/63/456168463.db2.gz SBUGDJXLRAFDHQ-GOEBONIOSA-N 1 0 338.379 3.132 20 5 EGBDRO C[NH2+]Cc1cccc(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)c1 ZINC000237206134 456247282 /nfs/dbraw/zinc/24/72/82/456247282.db2.gz JBDNPQRZJQMDHI-UHFFFAOYSA-N 1 0 342.399 3.145 20 5 EGBDRO CC(C)[C@@H](CCO)[NH2+]Cc1cc(=O)oc2ccc3ccccc3c12 ZINC000274575101 456262569 /nfs/dbraw/zinc/26/25/69/456262569.db2.gz CVXFIRYENHEIOZ-QGZVFWFLSA-N 1 0 325.408 3.443 20 5 EGBDRO CC(C)[NH+](CCCNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)C(C)C ZINC000342934981 456322591 /nfs/dbraw/zinc/32/25/91/456322591.db2.gz QBOBPIKPVAHMIS-UHFFFAOYSA-N 1 0 346.431 3.315 20 5 EGBDRO CN(c1ccccc1)c1ccc(C[NH2+][C@H]2C[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000601139787 460728037 /nfs/dbraw/zinc/72/80/37/460728037.db2.gz KJOCCRMWSGBXHC-IYBDPMFKSA-N 1 0 341.411 3.223 20 5 EGBDRO CN(C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)c1c(F)cccc1[N+](=O)[O-] ZINC000343015482 456357771 /nfs/dbraw/zinc/35/77/71/456357771.db2.gz MPDOHQZBEFHGSR-YOEHRIQHSA-N 1 0 344.390 3.258 20 5 EGBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000290781936 456429372 /nfs/dbraw/zinc/42/93/72/456429372.db2.gz CKJXIEVNELWUIV-NSHDSACASA-N 1 0 327.812 3.098 20 5 EGBDRO Cc1cccc(C[N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000340412712 456445499 /nfs/dbraw/zinc/44/54/99/456445499.db2.gz UQWFYUGSTRDVDM-UHFFFAOYSA-N 1 0 327.384 3.364 20 5 EGBDRO C[C@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000298535089 456483723 /nfs/dbraw/zinc/48/37/23/456483723.db2.gz ZOUBVIRYNKDYMW-VXGBXAGGSA-N 1 0 339.823 3.098 20 5 EGBDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000343247465 456480021 /nfs/dbraw/zinc/48/00/21/456480021.db2.gz RLRKNNYOLNVZGQ-UHFFFAOYSA-N 1 0 347.440 3.427 20 5 EGBDRO COc1ccc(C[NH2+][C@H](C)c2ccc3n[nH]cc3c2)cc1[N+](=O)[O-] ZINC000353114325 456498679 /nfs/dbraw/zinc/49/86/79/456498679.db2.gz VOAAYIGSNMCQIY-LLVKDONJSA-N 1 0 326.356 3.331 20 5 EGBDRO CCC[N@@H+]1CCC[C@@H]1CNCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000353120732 456502845 /nfs/dbraw/zinc/50/28/45/456502845.db2.gz RBLBSQYVYLNVLQ-CQSZACIVSA-N 1 0 343.374 3.160 20 5 EGBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000291056419 456512312 /nfs/dbraw/zinc/51/23/12/456512312.db2.gz XQELOAKWRFDSSG-NSHDSACASA-N 1 0 327.812 3.098 20 5 EGBDRO CCO[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000353174064 456539119 /nfs/dbraw/zinc/53/91/19/456539119.db2.gz DSZUHKYTEHISHX-SJLPKXTDSA-N 1 0 346.383 3.138 20 5 EGBDRO CCO[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000353174063 456540176 /nfs/dbraw/zinc/54/01/76/456540176.db2.gz DSZUHKYTEHISHX-FUHWJXTLSA-N 1 0 346.383 3.138 20 5 EGBDRO CCO[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000353183136 456543776 /nfs/dbraw/zinc/54/37/76/456543776.db2.gz HCSCDCMTXZGDEO-CRAIPNDOSA-N 1 0 346.383 3.138 20 5 EGBDRO COc1ccc(-c2ccc(C[NH2+]C[C@H]3CC[C@@H](O)C3)o2)c([N+](=O)[O-])c1 ZINC000353205228 456559600 /nfs/dbraw/zinc/55/96/00/456559600.db2.gz IAPVUFBMZPEQAD-QWHCGFSZSA-N 1 0 346.383 3.114 20 5 EGBDRO C[C@@H]1C[C@@H]1[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1ccc(Cl)cc1 ZINC000343400641 456593587 /nfs/dbraw/zinc/59/35/87/456593587.db2.gz IFBLMXKKVXSZFC-DGFSRKRXSA-N 1 0 334.807 3.469 20 5 EGBDRO COc1cc(CN2CCC(F)(F)[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000291507539 456664010 /nfs/dbraw/zinc/66/40/10/456664010.db2.gz IAWUPOBANMXUIE-SNVBAGLBSA-N 1 0 330.331 3.089 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2ccc3c(c2)OCCCO3)cc1 ZINC000325138282 456679260 /nfs/dbraw/zinc/67/92/60/456679260.db2.gz WDYLLAXDYKSDRJ-UHFFFAOYSA-N 1 0 328.368 3.088 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+](C)CC1CCCC1 ZINC000299406451 456682925 /nfs/dbraw/zinc/68/29/25/456682925.db2.gz NOTUNWJRYRRHRZ-GFCCVEGCSA-N 1 0 335.404 3.052 20 5 EGBDRO CCc1nn(C)c(CC)c1C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000283041552 456696563 /nfs/dbraw/zinc/69/65/63/456696563.db2.gz OBYPPDMNXIXHQP-UHFFFAOYSA-N 1 0 330.432 3.128 20 5 EGBDRO CN(CC[N@H+](C)C1CC1)C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000291720141 456733465 /nfs/dbraw/zinc/73/34/65/456733465.db2.gz QVBHNOSVTBJCIE-UHFFFAOYSA-N 1 0 346.214 3.068 20 5 EGBDRO CCc1cc(NCC(C)(C)[NH+](C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301057066 456785891 /nfs/dbraw/zinc/78/58/91/456785891.db2.gz AMXWHKHTGOZPST-UHFFFAOYSA-N 1 0 343.431 3.366 20 5 EGBDRO C[C@H]1C[NH+](CCCNc2ccc(Cl)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000301068992 456788899 /nfs/dbraw/zinc/78/88/99/456788899.db2.gz GYCPEWCLOLEJHT-RYUDHWBXSA-N 1 0 327.812 3.159 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](c1ccco1)N(C)C ZINC000344884436 456869985 /nfs/dbraw/zinc/86/99/85/456869985.db2.gz TVTWUIWBDZACTN-OOXMNIKJSA-N 1 0 329.400 3.484 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3ccc4c(c3)CCC4)C2)nc1 ZINC000353719345 456871644 /nfs/dbraw/zinc/87/16/44/456871644.db2.gz ZNYSOWQWIFMPLE-KRWDZBQOSA-N 1 0 338.411 3.165 20 5 EGBDRO COCCOc1cccc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000338955749 456876224 /nfs/dbraw/zinc/87/62/24/456876224.db2.gz QLEHEUUIQNHODD-UHFFFAOYSA-N 1 0 344.411 3.295 20 5 EGBDRO CC[C@H]([NH2+][C@H]1CCC(=O)N[C@H]1C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000353788521 456906094 /nfs/dbraw/zinc/90/60/94/456906094.db2.gz BNWBBJBOPKWBDG-YQQAZPJKSA-N 1 0 333.432 3.329 20 5 EGBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000339107634 456943763 /nfs/dbraw/zinc/94/37/63/456943763.db2.gz MUTOVFCMEYNQIS-VBQJREDUSA-N 1 0 346.431 3.464 20 5 EGBDRO CCc1ccc(C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000349471681 456974674 /nfs/dbraw/zinc/97/46/74/456974674.db2.gz WATORHQJSQRIIG-AWEZNQCLSA-N 1 0 333.432 3.007 20 5 EGBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H]2Cc2ccccc2)c2c(c1)COCO2 ZINC000353998375 456996267 /nfs/dbraw/zinc/99/62/67/456996267.db2.gz UQMRANGEIGFDCO-QGZVFWFLSA-N 1 0 340.379 3.278 20 5 EGBDRO CC[C@H](C[C@@H](C)CC)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000349685657 457015386 /nfs/dbraw/zinc/01/53/86/457015386.db2.gz OSPKEUQEWBMOOT-UONOGXRCSA-N 1 0 342.461 3.173 20 5 EGBDRO CC[C@@H](C)C[C@H](CC)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000349685656 457015797 /nfs/dbraw/zinc/01/57/97/457015797.db2.gz OSPKEUQEWBMOOT-KGLIPLIRSA-N 1 0 342.461 3.173 20 5 EGBDRO C[C@H]1CC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1(C)C ZINC000354043140 457027950 /nfs/dbraw/zinc/02/79/50/457027950.db2.gz VTTKODSCIXTBRF-BBRMVZONSA-N 1 0 331.416 3.068 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000354082579 457049666 /nfs/dbraw/zinc/04/96/66/457049666.db2.gz KYMBHWFVJCZEKT-MRXNPFEDSA-N 1 0 347.459 3.157 20 5 EGBDRO CC[N@H+](CCOC)Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000349860071 457082190 /nfs/dbraw/zinc/08/21/90/457082190.db2.gz CVAFCTZBZZDAEV-UHFFFAOYSA-N 1 0 334.372 3.332 20 5 EGBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCC(C)(C)[NH+](C)C ZINC000342072260 457091910 /nfs/dbraw/zinc/09/19/10/457091910.db2.gz BFLUAIYVVJPDHK-UHFFFAOYSA-N 1 0 339.461 3.165 20 5 EGBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000356646228 457100188 /nfs/dbraw/zinc/10/01/88/457100188.db2.gz NUODQJDLTVFTTI-LBPRGKRZSA-N 1 0 333.388 3.191 20 5 EGBDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000349930166 457111179 /nfs/dbraw/zinc/11/11/79/457111179.db2.gz DGJOBIQLESSJHC-JTQLQIEISA-N 1 0 328.800 3.098 20 5 EGBDRO CC(C)CCSc1ccc(C(=O)N[C@H](C)CC[NH3+])cc1[N+](=O)[O-] ZINC000349969650 457126147 /nfs/dbraw/zinc/12/61/47/457126147.db2.gz WPRGZMOZRGXQMS-GFCCVEGCSA-N 1 0 339.461 3.200 20 5 EGBDRO CSc1cccc(C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000331153862 457139953 /nfs/dbraw/zinc/13/99/53/457139953.db2.gz VCMWWXHXMYXRND-ZDUSSCGKSA-N 1 0 349.456 3.017 20 5 EGBDRO C[C@@H]1CN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@H](C)[N@H+]1C ZINC000354442630 457224592 /nfs/dbraw/zinc/22/45/92/457224592.db2.gz IAIDQBULACIWND-BETUJISGSA-N 1 0 346.456 3.243 20 5 EGBDRO Cc1cc(N(CC[NH+](C)C)Cc2ccccn2)c(F)cc1[N+](=O)[O-] ZINC000360068152 457236249 /nfs/dbraw/zinc/23/62/49/457236249.db2.gz ZRUKWOIGSKELHW-UHFFFAOYSA-N 1 0 332.379 3.006 20 5 EGBDRO CC[C@@H](CC(F)(F)F)[NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000354539399 457278211 /nfs/dbraw/zinc/27/82/11/457278211.db2.gz GUBZIZZZMVBJJM-ZJUUUORDSA-N 1 0 333.310 3.242 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1[C@H](C)C[C@@H]2CCCC[C@@H]21 ZINC000332064326 457297378 /nfs/dbraw/zinc/29/73/78/457297378.db2.gz RWMLDGNSHAQTKP-ILXRZTDVSA-N 1 0 331.416 3.495 20 5 EGBDRO CC(C)[N@@H+]1CCCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000332218695 457329860 /nfs/dbraw/zinc/32/98/60/457329860.db2.gz JINVZLNZPGXGRJ-UHFFFAOYSA-N 1 0 343.374 3.112 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000347336752 457360309 /nfs/dbraw/zinc/36/03/09/457360309.db2.gz LKOXLPHIYVMXDC-MJSCBBHESA-N 1 0 341.415 3.002 20 5 EGBDRO COCCOC1CC[NH+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000347361517 457376095 /nfs/dbraw/zinc/37/60/95/457376095.db2.gz PBDBYYOSCFJPIB-NTCAYCPXSA-N 1 0 334.416 3.126 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000360863505 457391256 /nfs/dbraw/zinc/39/12/56/457391256.db2.gz DALUZMXAJQLNGS-XJKSGUPXSA-N 1 0 326.400 3.231 20 5 EGBDRO C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000342621779 457409393 /nfs/dbraw/zinc/40/93/93/457409393.db2.gz RKJXRFDHDKKBCT-AWEZNQCLSA-N 1 0 342.399 3.237 20 5 EGBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000360961388 457468365 /nfs/dbraw/zinc/46/83/65/457468365.db2.gz QCJGQJJNBPWRDJ-CZUORRHYSA-N 1 0 343.431 3.367 20 5 EGBDRO C[C@@H](C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000352707424 457547441 /nfs/dbraw/zinc/54/74/41/457547441.db2.gz AXUKTXVABLAIMY-XHSDSOJGSA-N 1 0 347.459 3.295 20 5 EGBDRO CC(C)c1ccc(C[N@@H+]2CC[C@@H](N3CCOCC3)[C@H]2C)cc1[N+](=O)[O-] ZINC000356258696 457553416 /nfs/dbraw/zinc/55/34/16/457553416.db2.gz LVROGPHDFKTHMB-CRAIPNDOSA-N 1 0 347.459 3.013 20 5 EGBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000408193121 457561452 /nfs/dbraw/zinc/56/14/52/457561452.db2.gz QYALULYKQUCPHP-XQQFMLRXSA-N 1 0 338.839 3.485 20 5 EGBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000425555225 457597386 /nfs/dbraw/zinc/59/73/86/457597386.db2.gz PZYOGCBYRJDXBE-SFHVURJKSA-N 1 0 346.427 3.255 20 5 EGBDRO NC(=O)c1ccc(C[N@@H+]2CCC[C@H](c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000433058276 457655356 /nfs/dbraw/zinc/65/53/56/457655356.db2.gz KJVDHVJOFCQXET-INIZCTEOSA-N 1 0 339.395 3.073 20 5 EGBDRO CCC[C@@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1)c1cccc([N+](=O)[O-])c1 ZINC000374576180 457664626 /nfs/dbraw/zinc/66/46/26/457664626.db2.gz OXSDKSHQSMYSLB-CRAIPNDOSA-N 1 0 343.431 3.038 20 5 EGBDRO CC(C)(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000361399673 457719318 /nfs/dbraw/zinc/71/93/18/457719318.db2.gz HZWAPGAULOIYPC-UHFFFAOYSA-N 1 0 339.823 3.100 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@@H]1CCC(C)(C)C1 ZINC000361466860 457740792 /nfs/dbraw/zinc/74/07/92/457740792.db2.gz AVTNRGLOYZHNKK-CYBMUJFWSA-N 1 0 335.404 3.052 20 5 EGBDRO COc1ccc(NC(=O)C[N@H+](C)[C@@H]2CCC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000361468038 457741498 /nfs/dbraw/zinc/74/14/98/457741498.db2.gz DXQBXWNHVGEUEL-GFCCVEGCSA-N 1 0 335.404 3.052 20 5 EGBDRO CC(C)O[C@@H]1C[C@H]([NH2+][C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1(C)C ZINC000361553844 457792900 /nfs/dbraw/zinc/79/29/00/457792900.db2.gz YCTKUASMUYJRAH-VBNZEHGJSA-N 1 0 349.431 3.104 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+]CC[S@](=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000358171450 457832466 /nfs/dbraw/zinc/83/24/66/457832466.db2.gz GRJGKEUEVQJGGQ-FATZIPQQSA-N 1 0 332.425 3.362 20 5 EGBDRO C[C@@H](NC(=O)NC(C)(C)CCC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000457849127 457849301 /nfs/dbraw/zinc/84/93/01/457849301.db2.gz KTRBQRUDAPPRLR-CYBMUJFWSA-N 1 0 336.436 3.075 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H](C)[C@H]1C ZINC000411318332 457856395 /nfs/dbraw/zinc/85/63/95/457856395.db2.gz ZFCWKJSTQHNQPF-QWHCGFSZSA-N 1 0 335.404 3.052 20 5 EGBDRO CCSCC[C@@H](C)[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411385249 457871350 /nfs/dbraw/zinc/87/13/50/457871350.db2.gz JIFWMUAAJCALFJ-CYBMUJFWSA-N 1 0 339.461 3.387 20 5 EGBDRO CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411555491 457919144 /nfs/dbraw/zinc/91/91/44/457919144.db2.gz HAVSRVMPBCQAPK-IRXDYDNUSA-N 1 0 349.431 3.107 20 5 EGBDRO COc1ccc(NC(=O)CC[N@H+](C)[C@H]2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000411608646 457928330 /nfs/dbraw/zinc/92/83/30/457928330.db2.gz GRKFIYYCEPNNFH-CJNGLKHVSA-N 1 0 349.431 3.443 20 5 EGBDRO COCC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCC[C@H]1C ZINC000411628211 457932096 /nfs/dbraw/zinc/93/20/96/457932096.db2.gz RJKFIESJJUAALP-ZBFHGGJFSA-N 1 0 349.431 3.060 20 5 EGBDRO C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1COc2ccccc21 ZINC000444674019 457934871 /nfs/dbraw/zinc/93/48/71/457934871.db2.gz JHQMJLOCTDGXAK-FZMZJTMJSA-N 1 0 338.367 3.125 20 5 EGBDRO CC[NH+](CC)CCN(CC(C)C)C(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000358364571 457956951 /nfs/dbraw/zinc/95/69/51/457956951.db2.gz NKRNYVAHGRDFNP-UHFFFAOYSA-N 1 0 335.448 3.343 20 5 EGBDRO CC(C)[C@@H]1CCC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000444751609 457966161 /nfs/dbraw/zinc/96/61/61/457966161.db2.gz BPCNXONIKCUPFC-RHSMWYFYSA-N 1 0 331.416 3.068 20 5 EGBDRO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000362334722 458111499 /nfs/dbraw/zinc/11/14/99/458111499.db2.gz JARSIZANUFEQNT-MOTZXUDYSA-N 1 0 326.400 3.487 20 5 EGBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000375961594 458141791 /nfs/dbraw/zinc/14/17/91/458141791.db2.gz LYGCHYLONOYANH-CYBMUJFWSA-N 1 0 332.379 3.237 20 5 EGBDRO CCCN(CC[NH+](CC)CC)C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412252340 458144094 /nfs/dbraw/zinc/14/40/94/458144094.db2.gz QIUQUIYQQGEXRO-ZWKOTPCHSA-N 1 0 347.459 3.279 20 5 EGBDRO C[C@H](CCNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)[NH+]1CCCCC1 ZINC000412260819 458147228 /nfs/dbraw/zinc/14/72/28/458147228.db2.gz VMRHVIBFBXIXMG-FHLIZLRMSA-N 1 0 345.443 3.079 20 5 EGBDRO Nc1ccc(NC2CC[NH+](Cc3ccc(F)cc3)CC2)c([N+](=O)[O-])c1 ZINC000376190288 458227512 /nfs/dbraw/zinc/22/75/12/458227512.db2.gz XYYFVCWRNBMKHN-UHFFFAOYSA-N 1 0 344.390 3.393 20 5 EGBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000436435757 458304895 /nfs/dbraw/zinc/30/48/95/458304895.db2.gz YLEGMXXHDAAORM-NSHDSACASA-N 1 0 344.337 3.437 20 5 EGBDRO CC[NH+](CC)CCN(Cc1ccccc1)c1ccc([N+](=O)[O-])cn1 ZINC000447643110 458325295 /nfs/dbraw/zinc/32/52/95/458325295.db2.gz GCUILXDLVWZYIA-UHFFFAOYSA-N 1 0 328.416 3.338 20 5 EGBDRO Cc1c(C[NH2+][C@@H]2CCC[C@H](c3ccnn3C)C2)cccc1[N+](=O)[O-] ZINC000448024832 458380026 /nfs/dbraw/zinc/38/00/26/458380026.db2.gz AXYCUTDSKKVUGX-GOEBONIOSA-N 1 0 328.416 3.453 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@]1(C)CCCC[C@H]1C ZINC000459615928 458429399 /nfs/dbraw/zinc/42/93/99/458429399.db2.gz PNYVUVNSIKMWQQ-FZKQIMNGSA-N 1 0 349.431 3.490 20 5 EGBDRO C[C@@H]([NH3+])c1ccc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000423722633 458475332 /nfs/dbraw/zinc/47/53/32/458475332.db2.gz KHJCHKAXGFCVDA-CYBMUJFWSA-N 1 0 339.395 3.419 20 5 EGBDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000459787827 458478639 /nfs/dbraw/zinc/47/86/39/458478639.db2.gz QNIDEEQIOREZPW-HEQLZXTPSA-N 1 0 337.807 3.353 20 5 EGBDRO CCC[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C1CCC1 ZINC000459792300 458480345 /nfs/dbraw/zinc/48/03/45/458480345.db2.gz IUBLDGRHUXOJBI-OAHLLOKOSA-N 1 0 349.431 3.490 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](CO)Cc1ccccc1 ZINC000468627351 458527890 /nfs/dbraw/zinc/52/78/90/458527890.db2.gz FIDOTRHFYIZTOB-NXIIHZOPSA-N 1 0 340.423 3.439 20 5 EGBDRO C[C@@H]1C[C@@H](C)N(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C[C@@H]1C[NH3+] ZINC000424058593 458547936 /nfs/dbraw/zinc/54/79/36/458547936.db2.gz VDWCERFVQXBKMY-WZRBSPASSA-N 1 0 347.440 3.255 20 5 EGBDRO NC(=O)C[C@@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000377846299 458549932 /nfs/dbraw/zinc/54/99/32/458549932.db2.gz BLTXHTQJHTWJBK-LBPRGKRZSA-N 1 0 345.424 3.021 20 5 EGBDRO Cc1cc(N2CCC[C@H]([NH+](C)C)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461771250 458571944 /nfs/dbraw/zinc/57/19/44/458571944.db2.gz ZFHYXHBYMSQTGD-NSHDSACASA-N 1 0 331.338 3.452 20 5 EGBDRO C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000493915067 458599449 /nfs/dbraw/zinc/59/94/49/458599449.db2.gz RFRMTCXWTQRSKQ-ZFWWWQNUSA-N 1 0 349.431 3.330 20 5 EGBDRO CCCN(Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@H]1CC[NH2+]C1 ZINC000470008307 458605987 /nfs/dbraw/zinc/60/59/87/458605987.db2.gz JYKQIPFCGLEBQH-INIZCTEOSA-N 1 0 329.400 3.429 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCO[C@@H](COCC2CC2)C1 ZINC000470218120 458624824 /nfs/dbraw/zinc/62/48/24/458624824.db2.gz LUIQOCJVSATLNX-XKSYAXFZSA-N 1 0 346.427 3.126 20 5 EGBDRO Cc1cccc(C)c1[C@H](C)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000546932998 458688622 /nfs/dbraw/zinc/68/86/22/458688622.db2.gz WETNYSQXMXGPPS-JKSUJKDBSA-N 1 0 344.411 3.302 20 5 EGBDRO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000471809592 458735026 /nfs/dbraw/zinc/73/50/26/458735026.db2.gz IMYJPALCMIOGMG-ZYHUDNBSSA-N 1 0 336.775 3.463 20 5 EGBDRO Cc1c(C[NH2+][C@@H](C)c2ccc(C(=O)N(C)C)cc2)cccc1[N+](=O)[O-] ZINC000494973775 458777348 /nfs/dbraw/zinc/77/73/48/458777348.db2.gz IIQZHCYORIGLBT-AWEZNQCLSA-N 1 0 341.411 3.456 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CCc3ccccc3Cl)C2)nc1 ZINC000440504305 458820151 /nfs/dbraw/zinc/82/01/51/458820151.db2.gz LRVTUQXAJAKQBY-CQSZACIVSA-N 1 0 346.818 3.372 20 5 EGBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000457108674 458869796 /nfs/dbraw/zinc/86/97/96/458869796.db2.gz GCBXEVLCIXXKLN-CQSZACIVSA-N 1 0 347.440 3.364 20 5 EGBDRO CCCCN(CC)C(=O)CN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000441243816 458905789 /nfs/dbraw/zinc/90/57/89/458905789.db2.gz JMQBNSXVXFQWBP-UHFFFAOYSA-N 1 0 333.432 3.208 20 5 EGBDRO CC[C@H]([NH2+]CC1CCN(C(=O)OC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000495685275 458919138 /nfs/dbraw/zinc/91/91/38/458919138.db2.gz GTVSXXQDVOQETM-INIZCTEOSA-N 1 0 335.404 3.114 20 5 EGBDRO COC(=O)[C@@H]1CC[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000475363900 458938288 /nfs/dbraw/zinc/93/82/88/458938288.db2.gz YBWAPBLDRKPKIH-BYPLOIIRSA-N 1 0 332.400 3.129 20 5 EGBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000467052618 458948681 /nfs/dbraw/zinc/94/86/81/458948681.db2.gz ATKFXWNXJOTTFM-LRDDRELGSA-N 1 0 345.443 3.105 20 5 EGBDRO CC(C)C[C@H]1CC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000467173851 458955941 /nfs/dbraw/zinc/95/59/41/458955941.db2.gz SAKGNUDYTZANPC-RHSMWYFYSA-N 1 0 331.416 3.068 20 5 EGBDRO COCCOc1ccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)cn1 ZINC000531683273 458959758 /nfs/dbraw/zinc/95/97/58/458959758.db2.gz CNYGEBLHKKIHDP-AWEZNQCLSA-N 1 0 345.399 3.174 20 5 EGBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2F)C1 ZINC000519587479 458968417 /nfs/dbraw/zinc/96/84/17/458968417.db2.gz LBBBVQJCCRZBNS-KGLIPLIRSA-N 1 0 336.411 3.220 20 5 EGBDRO CCOC(=O)c1cc(NC[C@H]2CCCC[N@@H+]2CC)ccc1[N+](=O)[O-] ZINC000467796724 458987037 /nfs/dbraw/zinc/98/70/37/458987037.db2.gz GPTSFOQGXONLPA-CQSZACIVSA-N 1 0 335.404 3.058 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC1(N2CCCC2)CCOCC1 ZINC000531959337 459007751 /nfs/dbraw/zinc/00/77/51/459007751.db2.gz URVAZJVWWXBISM-INIZCTEOSA-N 1 0 347.459 3.199 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C1CC1)C1CCCC1 ZINC000567088837 459046605 /nfs/dbraw/zinc/04/66/05/459046605.db2.gz ICHCBUPEWKNZJS-UHFFFAOYSA-N 1 0 347.415 3.339 20 5 EGBDRO C[C@H](C(=O)N1CCC[N@H+](CC2CCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000520361940 459051582 /nfs/dbraw/zinc/05/15/82/459051582.db2.gz AIWSXTYOSSCNRR-HNNXBMFYSA-N 1 0 345.443 3.033 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CC[C@@](O)(C(F)(F)F)C1 ZINC000589949557 459056038 /nfs/dbraw/zinc/05/60/38/459056038.db2.gz CADYCUFYORZALK-WDMOLILDSA-N 1 0 332.322 3.400 20 5 EGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC[C@](O)(C(F)(F)F)C1 ZINC000589950036 459056552 /nfs/dbraw/zinc/05/65/52/459056552.db2.gz RYINKCBHBHIKHS-UXIGCNINSA-N 1 0 346.349 3.351 20 5 EGBDRO C[C@H](C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)C(=O)OC(C)(C)C ZINC000594515140 459072915 /nfs/dbraw/zinc/07/29/15/459072915.db2.gz QSHIHZWDQIWCSX-CJNGLKHVSA-N 1 0 348.443 3.483 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H](CO)C3CCCC3)o2)cc1 ZINC000557531177 459081220 /nfs/dbraw/zinc/08/12/20/459081220.db2.gz WQKUHFLVNMKOON-KRWDZBQOSA-N 1 0 330.384 3.496 20 5 EGBDRO CCc1ccc([C@H](CO)[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000577745800 459089281 /nfs/dbraw/zinc/08/92/81/459089281.db2.gz VZLWBEWYWUZRKX-ROUUACIJSA-N 1 0 326.396 3.468 20 5 EGBDRO C[C@H](C[C@H](C)[NH2+]Cc1csc([N+](=O)[O-])c1)NC(=O)OC(C)(C)C ZINC000496201189 459106543 /nfs/dbraw/zinc/10/65/43/459106543.db2.gz SWYNIPPEABOFCE-WDEREUQCSA-N 1 0 343.449 3.438 20 5 EGBDRO O=[N+]([O-])c1cccc(OCCOc2ccccc2-n2ccnc2)c1 ZINC000557952845 459121299 /nfs/dbraw/zinc/12/12/99/459121299.db2.gz SJQGNGDKOUXQGT-UHFFFAOYSA-N 1 0 325.324 3.238 20 5 EGBDRO Cc1cc(C(=O)CN(Cc2ccccc2[N+](=O)[O-])C2CC2)c(C)n1C ZINC000532746956 459138874 /nfs/dbraw/zinc/13/88/74/459138874.db2.gz NBPMNCRGBKOTND-UHFFFAOYSA-N 1 0 341.411 3.397 20 5 EGBDRO C[N@@H+]1CC[C@@H]2CCN(c3ccc(C(F)(F)F)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000590580761 459153426 /nfs/dbraw/zinc/15/34/26/459153426.db2.gz HJRHKKBGAYVXSR-QMTHXVAHSA-N 1 0 329.322 3.144 20 5 EGBDRO Cc1ccc(NC(=O)N[C@@H](C)C[NH+]2CCCCCC2)cc1[N+](=O)[O-] ZINC000479772815 459165972 /nfs/dbraw/zinc/16/59/72/459165972.db2.gz JWVWQJCBPNCYIG-AWEZNQCLSA-N 1 0 334.420 3.289 20 5 EGBDRO O=C(NCCc1ccccc1[N+](=O)[O-])[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000590672033 459178039 /nfs/dbraw/zinc/17/80/39/459178039.db2.gz XXRMFHOKYRFKFH-GOSISDBHSA-N 1 0 345.443 3.051 20 5 EGBDRO CC(C)[C@@H]1CCC[C@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000578316064 459180150 /nfs/dbraw/zinc/18/01/50/459180150.db2.gz LRCOLBQNEUGYSK-PMPSAXMXSA-N 1 0 336.432 3.139 20 5 EGBDRO O=C(NC[C@H]1CCC[N@@H+]1CC1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000521906048 459192319 /nfs/dbraw/zinc/19/23/19/459192319.db2.gz PZFTXCDLUYPRQB-GOSISDBHSA-N 1 0 345.443 3.369 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C[C@H](CO)CC3CC3)o2)c1 ZINC000594982852 459205399 /nfs/dbraw/zinc/20/53/99/459205399.db2.gz JFJXIEGEAQEXOT-CQSZACIVSA-N 1 0 330.384 3.353 20 5 EGBDRO CC(C)O[C@@H]1C[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1(C)C ZINC000590756638 459206729 /nfs/dbraw/zinc/20/67/29/459206729.db2.gz DNURCXQUTRMAJX-LSDHHAIUSA-N 1 0 333.388 3.418 20 5 EGBDRO COCC[C@H](Cc1ccco1)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595032548 459223391 /nfs/dbraw/zinc/22/33/91/459223391.db2.gz MYARKAXGVWRUJJ-UONOGXRCSA-N 1 0 348.399 3.495 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H]1COc2ccccc21 ZINC000595053341 459229588 /nfs/dbraw/zinc/22/95/88/459229588.db2.gz XOMGFHLJWMZDND-CHWSQXEVSA-N 1 0 328.368 3.430 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]C[C@H](CO)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000481169877 459235573 /nfs/dbraw/zinc/23/55/73/459235573.db2.gz JLOJUONXMMWMLO-DOTOQJQBSA-N 1 0 328.412 3.405 20 5 EGBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H]2CC[C@H](C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000481187450 459236999 /nfs/dbraw/zinc/23/69/99/459236999.db2.gz GKGDEMHBVQIROE-GZBFAFLISA-N 1 0 349.431 3.346 20 5 EGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1c(C2CC2)cnn1C ZINC000595075417 459238302 /nfs/dbraw/zinc/23/83/02/459238302.db2.gz BIDVAXWEDPERFT-ZDUSSCGKSA-N 1 0 328.416 3.317 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]C[C@H](CO)CC1CC1 ZINC000595088142 459241042 /nfs/dbraw/zinc/24/10/42/459241042.db2.gz HKPGVCTZYJMUDI-RYRKJORJSA-N 1 0 332.444 3.304 20 5 EGBDRO CCSC1(C[NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000595100612 459245343 /nfs/dbraw/zinc/24/53/43/459245343.db2.gz SPSPIIBAXGKPCC-GFCCVEGCSA-N 1 0 337.445 3.187 20 5 EGBDRO C[C@@H]1CCCC[C@H]1OCC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000581990541 459288309 /nfs/dbraw/zinc/28/83/09/459288309.db2.gz RSXMHZSACSLXHT-RHSMWYFYSA-N 1 0 349.431 3.108 20 5 EGBDRO O=[N+]([O-])c1ccccc1CC[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000482248349 459298572 /nfs/dbraw/zinc/29/85/72/459298572.db2.gz XIOWMHJKQHNISB-UHFFFAOYSA-N 1 0 326.396 3.295 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](C2CCC2)C1 ZINC000591062238 459303043 /nfs/dbraw/zinc/30/30/43/459303043.db2.gz ZEGNPEFKXWTPEV-AWEZNQCLSA-N 1 0 347.415 3.054 20 5 EGBDRO CCCn1ccnc1CCC[N@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595453311 459308375 /nfs/dbraw/zinc/30/83/75/459308375.db2.gz CHCQLAHAVQRQSM-UHFFFAOYSA-N 1 0 334.395 3.405 20 5 EGBDRO O=[N+]([O-])c1cnc(NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c(F)c1 ZINC000591141729 459320704 /nfs/dbraw/zinc/32/07/04/459320704.db2.gz MQBYKXUSIGHQNZ-HNNXBMFYSA-N 1 0 344.390 3.453 20 5 EGBDRO O=[N+]([O-])c1cnc(NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)c(F)c1 ZINC000591141730 459320750 /nfs/dbraw/zinc/32/07/50/459320750.db2.gz MQBYKXUSIGHQNZ-OAHLLOKOSA-N 1 0 344.390 3.453 20 5 EGBDRO C[N@H+]1Cc2ccccc2[C@H](Nc2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000534531000 459331549 /nfs/dbraw/zinc/33/15/49/459331549.db2.gz URVLQGQMLYUKGS-GOSISDBHSA-N 1 0 334.379 3.164 20 5 EGBDRO CC(C)OC(=O)C[C@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])C(C)C ZINC000595560828 459346905 /nfs/dbraw/zinc/34/69/05/459346905.db2.gz FLNUVFINAKPGID-AWEZNQCLSA-N 1 0 326.368 3.190 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](CC1CC1)CC1CCC1 ZINC000483262908 459355284 /nfs/dbraw/zinc/35/52/84/459355284.db2.gz BKAKOGBRLQECCY-UHFFFAOYSA-N 1 0 331.416 3.354 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC[C@H]1[C@@H](C)CO ZINC000595672325 459390328 /nfs/dbraw/zinc/39/03/28/459390328.db2.gz HRLQUSGSPGDDLJ-YOEHRIQHSA-N 1 0 336.432 3.365 20 5 EGBDRO CCc1ccc([C@H](NC[C@@H]2C[C@H](F)C[NH2+]2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000591581847 459407563 /nfs/dbraw/zinc/40/75/63/459407563.db2.gz ZPSFFEKZGIYDEB-SUNYJGFJSA-N 1 0 347.390 3.129 20 5 EGBDRO COc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCCCO3)C2)cc1[N+](=O)[O-] ZINC000595792251 459443919 /nfs/dbraw/zinc/44/39/19/459443919.db2.gz YVWPOQQOAYETAG-DOTOQJQBSA-N 1 0 334.416 3.385 20 5 EGBDRO C[C@@H]1[C@H](C)N(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC[N@H+]1C ZINC000485402183 459454122 /nfs/dbraw/zinc/45/41/22/459454122.db2.gz GZCAYKOQOUJIPM-OLZOCXBDSA-N 1 0 344.390 3.325 20 5 EGBDRO COc1ccc(C[N@@H+]2CC[C@@H](Oc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000595831594 459458394 /nfs/dbraw/zinc/45/83/94/459458394.db2.gz KMFBHSILLGBRCF-MRXNPFEDSA-N 1 0 328.368 3.257 20 5 EGBDRO O=C(c1cccc2c1C[NH2+]C2)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000595956465 459489843 /nfs/dbraw/zinc/48/98/43/459489843.db2.gz ITSKJPZCAMQDDX-UHFFFAOYSA-N 1 0 337.379 3.003 20 5 EGBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CCCSC1 ZINC000562046899 459506784 /nfs/dbraw/zinc/50/67/84/459506784.db2.gz ZYFDJEXGJMQDGD-CHWSQXEVSA-N 1 0 337.445 3.045 20 5 EGBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C1CCC(C2CCC2)CC1 ZINC000596067209 459507518 /nfs/dbraw/zinc/50/75/18/459507518.db2.gz VPMJHCLQJCFKAV-JCYILVPMSA-N 1 0 348.443 3.283 20 5 EGBDRO C[C@@H]1OCC[C@]12CN(Cc1c(Cl)cccc1[N+](=O)[O-])C[C@@H](C)O2 ZINC000569915716 459529716 /nfs/dbraw/zinc/52/97/16/459529716.db2.gz QHARYUZTWZLHJB-WQGACYEGSA-N 1 0 340.807 3.017 20 5 EGBDRO O=[N+]([O-])c1cncc(Cl)c1NC1CC[NH+](C2CCCCC2)CC1 ZINC000596149279 459537393 /nfs/dbraw/zinc/53/73/93/459537393.db2.gz SZMACKLECOTAIZ-UHFFFAOYSA-N 1 0 338.839 3.274 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](C(C)(C)C)C1 ZINC000542317527 459547016 /nfs/dbraw/zinc/54/70/16/459547016.db2.gz ARAKDWZFQNOMGZ-CYBMUJFWSA-N 1 0 349.431 3.300 20 5 EGBDRO CC[N@@H+]1CCC[C@H](CNC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000498070504 459568060 /nfs/dbraw/zinc/56/80/60/459568060.db2.gz VIBOXFRAJUWZIR-CQSZACIVSA-N 1 0 347.459 3.354 20 5 EGBDRO CCC[C@@H]1CCCC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000542631435 459576993 /nfs/dbraw/zinc/57/69/93/459576993.db2.gz CTHBTBSOCGFOLR-OAHLLOKOSA-N 1 0 331.416 3.139 20 5 EGBDRO CC[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)NCc1cccs1 ZINC000592396765 459591483 /nfs/dbraw/zinc/59/14/83/459591483.db2.gz RAOTXPNOMMYJEI-LRDDRELGSA-N 1 0 347.440 3.402 20 5 EGBDRO CCc1ccc([C@H]([NH2+]CC2(C)COC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543403719 459654204 /nfs/dbraw/zinc/65/42/04/459654204.db2.gz KLMRSAKGMCMGCA-QGZVFWFLSA-N 1 0 330.384 3.466 20 5 EGBDRO CC[NH+](CC)Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2NC)o1 ZINC000592828473 459699168 /nfs/dbraw/zinc/69/91/68/459699168.db2.gz INWSFAGEGQZLKU-UHFFFAOYSA-N 1 0 346.387 3.324 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](O)CCc2ccccc2)c(Cl)c1 ZINC000544347336 459750401 /nfs/dbraw/zinc/75/04/01/459750401.db2.gz CHWZCZVFMNHLGW-INIZCTEOSA-N 1 0 334.803 3.332 20 5 EGBDRO C[C@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)CCc2ccc(Cl)cc21 ZINC000593067953 459763364 /nfs/dbraw/zinc/76/33/64/459763364.db2.gz XABCXFKBXSTVKW-LBPRGKRZSA-N 1 0 334.807 3.107 20 5 EGBDRO COc1ccc(OCC[NH+]2CCC3(CC3(F)F)CC2)c([N+](=O)[O-])c1 ZINC000593076934 459764819 /nfs/dbraw/zinc/76/48/19/459764819.db2.gz NGYNBINESQAJFN-UHFFFAOYSA-N 1 0 342.342 3.103 20 5 EGBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1[C@H](C)C[N@H+](C)[C@@H](C)[C@@H]1C ZINC000593189280 459801808 /nfs/dbraw/zinc/80/18/08/459801808.db2.gz JYZIPUHZDKJBCH-WBTNSWJXSA-N 1 0 347.459 3.103 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000545211202 459810228 /nfs/dbraw/zinc/81/02/28/459810228.db2.gz DIPLPQNSSGDXLK-AWEZNQCLSA-N 1 0 334.420 3.063 20 5 EGBDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000598260989 459841342 /nfs/dbraw/zinc/84/13/42/459841342.db2.gz BXPUPMYQKLIABV-HNNXBMFYSA-N 1 0 347.459 3.109 20 5 EGBDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000598260390 459841722 /nfs/dbraw/zinc/84/17/22/459841722.db2.gz BPJWUOALCSXZGE-LBPRGKRZSA-N 1 0 339.823 3.098 20 5 EGBDRO Cc1cccc2[nH]c(C[NH+]3CCC(n4ccc([N+](=O)[O-])n4)CC3)cc21 ZINC000597117169 459842841 /nfs/dbraw/zinc/84/28/41/459842841.db2.gz JHSZVOCFUZWNOM-UHFFFAOYSA-N 1 0 339.399 3.418 20 5 EGBDRO CC[N@@H+]1CC[C@H](N(C)c2ccc([N+](=O)[O-])c(OC(C)C)n2)C[C@H]1C ZINC000574926366 459894823 /nfs/dbraw/zinc/89/48/23/459894823.db2.gz AQGGFBZAISBWPL-KGLIPLIRSA-N 1 0 336.436 3.086 20 5 EGBDRO C[N@@H+](Cc1cc(Br)c([N+](=O)[O-])s1)C[C@H]1CCCOC1 ZINC000602466716 459952413 /nfs/dbraw/zinc/95/24/13/459952413.db2.gz VMJDXRYFIGVLSZ-SECBINFHSA-N 1 0 349.250 3.277 20 5 EGBDRO CC[N@H+](C)C[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602480864 459958949 /nfs/dbraw/zinc/95/89/49/459958949.db2.gz ZPXLWBITOJYJJN-LBPRGKRZSA-N 1 0 345.365 3.387 20 5 EGBDRO COC1CC[NH+](CCNc2c(C)cc([N+](=O)[O-])cc2Cl)CC1 ZINC000618341076 459972274 /nfs/dbraw/zinc/97/22/74/459972274.db2.gz SSGZTVXCULMUDP-UHFFFAOYSA-N 1 0 327.812 3.079 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CCCc4occc43)CC2)cn1 ZINC000602511957 459976044 /nfs/dbraw/zinc/97/60/44/459976044.db2.gz SMMIOVJDXYPMFY-MRXNPFEDSA-N 1 0 342.399 3.219 20 5 EGBDRO CC(=O)N1CC[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000598676860 459987463 /nfs/dbraw/zinc/98/74/63/459987463.db2.gz AMTWLUHLOXCPIU-SFHVURJKSA-N 1 0 339.395 3.225 20 5 EGBDRO Cc1noc(CCC[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 ZINC000602543813 459990587 /nfs/dbraw/zinc/99/05/87/459990587.db2.gz LBDLDHLAEJIYFD-UHFFFAOYSA-N 1 0 344.293 3.027 20 5 EGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]C[C@@H]1CCC[C@@H](O)C1 ZINC000602561158 459997363 /nfs/dbraw/zinc/99/73/63/459997363.db2.gz WJDZEZVIEVVSHJ-ZWNOBZJWSA-N 1 0 332.322 3.254 20 5 EGBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]C[C@@H]3[C@@H]4Cc5ccccc5[C@H]34)nc2c1 ZINC000602565506 459999907 /nfs/dbraw/zinc/99/99/07/459999907.db2.gz CBDCTTPKZSDMRZ-KHYOSLBOSA-N 1 0 335.363 3.412 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccccc2OCCCCO)cc1 ZINC000602585722 460010463 /nfs/dbraw/zinc/01/04/63/460010463.db2.gz IPCPBESBBJIYAS-UHFFFAOYSA-N 1 0 330.384 3.036 20 5 EGBDRO C[N@@H+]1CC[C@H]2CCN(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])[C@H]2C1 ZINC000602588522 460012320 /nfs/dbraw/zinc/01/23/20/460012320.db2.gz AWDPOPFVNROXQY-NHYWBVRUSA-N 1 0 343.349 3.140 20 5 EGBDRO O=[N+]([O-])c1cc(N2CC[NH+](CC3CC3)CC2)ccc1C(F)(F)F ZINC000589107362 460031397 /nfs/dbraw/zinc/03/13/97/460031397.db2.gz RSVMORJVJYDDRE-UHFFFAOYSA-N 1 0 329.322 3.146 20 5 EGBDRO C[NH+](C)C1CCC2(CC1)CCN(C(=O)c1ccccc1[N+](=O)[O-])CC2 ZINC000597703561 460033502 /nfs/dbraw/zinc/03/35/02/460033502.db2.gz HLUUSSPLVIECJL-UHFFFAOYSA-N 1 0 345.443 3.321 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000589188828 460048820 /nfs/dbraw/zinc/04/88/20/460048820.db2.gz RRLCKZVVXLDGFU-BYPUDFOVSA-N 1 0 344.333 3.387 20 5 EGBDRO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCc3ccc(O)cc3C2)cc1 ZINC000610002647 460049620 /nfs/dbraw/zinc/04/96/20/460049620.db2.gz HBPJEYYWHAEYIK-UHFFFAOYSA-N 1 0 328.368 3.128 20 5 EGBDRO CCOC(=O)c1ccc(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])o1 ZINC000589197756 460051466 /nfs/dbraw/zinc/05/14/66/460051466.db2.gz PCGZHHWYPYWVEX-FNORWQNLSA-N 1 0 330.340 3.168 20 5 EGBDRO Cc1cnc(OC2CC[NH+](Cc3cccc([N+](=O)[O-])c3C)CC2)nc1 ZINC000594019092 460058830 /nfs/dbraw/zinc/05/88/30/460058830.db2.gz FZFQCHZTTSZTBO-UHFFFAOYSA-N 1 0 342.399 3.045 20 5 EGBDRO COc1cc(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)ccc1C ZINC000618567130 460063051 /nfs/dbraw/zinc/06/30/51/460063051.db2.gz VSEMGAKOGQINMM-HZPDHXFCSA-N 1 0 344.415 3.382 20 5 EGBDRO CC(C)OC(=O)C[C@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)C(C)C ZINC000594043913 460070677 /nfs/dbraw/zinc/07/06/77/460070677.db2.gz MMYLOQLYGAVMFI-HNNXBMFYSA-N 1 0 344.358 3.329 20 5 EGBDRO O=[N+]([O-])c1ccc2oc(CN[C@H]3CC[N@@H+](C4CCCCC4)C3)nc2c1 ZINC000602710944 460077626 /nfs/dbraw/zinc/07/76/26/460077626.db2.gz MFASZWGRMIHPJT-ZDUSSCGKSA-N 1 0 344.415 3.233 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[NH+](C(C)(C)CC)CC1 ZINC000594109244 460103964 /nfs/dbraw/zinc/10/39/64/460103964.db2.gz SJTPFVOIPNZRBT-UHFFFAOYSA-N 1 0 348.447 3.495 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000602759000 460110819 /nfs/dbraw/zinc/11/08/19/460110819.db2.gz LBNQMMGPYWHCFV-UHFFFAOYSA-N 1 0 330.363 3.028 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)Cc1ccccc1C(F)(F)F ZINC000602768908 460116174 /nfs/dbraw/zinc/11/61/74/460116174.db2.gz WXNYGQPJAKAVEB-UHFFFAOYSA-N 1 0 342.321 3.251 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CCCN1CC(F)F ZINC000598988345 460118556 /nfs/dbraw/zinc/11/85/56/460118556.db2.gz PBCFYPHNDXETCH-WDBUWWRISA-N 1 0 339.386 3.317 20 5 EGBDRO CN(CC[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)CC(F)F ZINC000599021561 460130064 /nfs/dbraw/zinc/13/00/64/460130064.db2.gz APEDVAFOZCTBIU-UHFFFAOYSA-N 1 0 339.342 3.141 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)cc1[N+](=O)[O-] ZINC000599074534 460152878 /nfs/dbraw/zinc/15/28/78/460152878.db2.gz RWXPJTUFTUVLHL-DWQUBVKVSA-N 1 0 343.383 3.185 20 5 EGBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)cccc1[N+](=O)[O-] ZINC000599080598 460153260 /nfs/dbraw/zinc/15/32/60/460153260.db2.gz HSCAEPAWJWRQKL-PNPHSEOMSA-N 1 0 343.383 3.185 20 5 EGBDRO Cc1c([C@@H](C)[NH2+][C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)cccc1[N+](=O)[O-] ZINC000599080597 460153822 /nfs/dbraw/zinc/15/38/22/460153822.db2.gz HSCAEPAWJWRQKL-DWQUBVKVSA-N 1 0 343.383 3.185 20 5 EGBDRO Cc1c(C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000598220898 460211322 /nfs/dbraw/zinc/21/13/22/460211322.db2.gz QYEBXVVZXCEKMC-CQSZACIVSA-N 1 0 331.416 3.040 20 5 EGBDRO CC1(C)C[C@H]([NH2+]CCOC[C@@H]2CCCO2)c2cc([N+](=O)[O-])ccc21 ZINC000618984292 460242315 /nfs/dbraw/zinc/24/23/15/460242315.db2.gz VVKDFIMTBWDMMV-YOEHRIQHSA-N 1 0 334.416 3.102 20 5 EGBDRO CO[C@]1(C(F)(F)F)CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000614924838 460247548 /nfs/dbraw/zinc/24/75/48/460247548.db2.gz NLDVPUSMAZKACZ-CQSZACIVSA-N 1 0 332.322 3.181 20 5 EGBDRO COc1ccc(OCC[NH+]2C[C@H](C)C(F)(F)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000599511581 460265263 /nfs/dbraw/zinc/26/52/63/460265263.db2.gz ARMSCKDCJDNKDE-RYUDHWBXSA-N 1 0 344.358 3.205 20 5 EGBDRO C[C@@H](c1ccncc1)[NH+]1CCC(Nc2cccnc2[N+](=O)[O-])CC1 ZINC000610969583 460268740 /nfs/dbraw/zinc/26/87/40/460268740.db2.gz ZZJGJENAPOEBNW-ZDUSSCGKSA-N 1 0 327.388 3.022 20 5 EGBDRO CC[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1cc(C)ccc1C ZINC000599641182 460295986 /nfs/dbraw/zinc/29/59/86/460295986.db2.gz QTOMRLTYDLTJOE-QGZVFWFLSA-N 1 0 329.400 3.114 20 5 EGBDRO Cc1cc(NC2CC[NH+](C3CCOCC3)CC2)c([N+](=O)[O-])s1 ZINC000603407184 460299547 /nfs/dbraw/zinc/29/95/47/460299547.db2.gz BIKIRYXXQYGXFU-UHFFFAOYSA-N 1 0 325.434 3.020 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCC2(CCOC2)CC1 ZINC000611177551 460300834 /nfs/dbraw/zinc/30/08/34/460300834.db2.gz MUHIFDBIVPOUFN-UHFFFAOYSA-N 1 0 334.416 3.385 20 5 EGBDRO CC(C)[NH2+][C@@H]1CCCN(C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000615302825 460307215 /nfs/dbraw/zinc/30/72/15/460307215.db2.gz ZPEMLXFUCYUJGX-OAHLLOKOSA-N 1 0 333.432 3.321 20 5 EGBDRO C[C@H]([NH2+]CCNc1ccc2ccccc2n1)c1ccc([N+](=O)[O-])cc1 ZINC000611336606 460339413 /nfs/dbraw/zinc/33/94/13/460339413.db2.gz UDLFXVKMDGSSCY-AWEZNQCLSA-N 1 0 336.395 3.328 20 5 EGBDRO O=C(Nc1ccccc1Nc1cc[nH+]cc1)c1cccc([N+](=O)[O-])c1 ZINC000619581675 460389028 /nfs/dbraw/zinc/38/90/28/460389028.db2.gz NPFVNKSCPXTEMB-UHFFFAOYSA-N 1 0 334.335 3.408 20 5 EGBDRO CCCC(=O)NC1CC[NH+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000615836091 460404198 /nfs/dbraw/zinc/40/41/98/460404198.db2.gz PSQQEXNIKXBNSS-QINSGFPZSA-N 1 0 345.443 3.379 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccsc1 ZINC000619746378 460429070 /nfs/dbraw/zinc/42/90/70/460429070.db2.gz QVBNXCGSJXDUCL-QWRGUYRKSA-N 1 0 349.412 3.343 20 5 EGBDRO CC[NH+](CC)Cc1ccc(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])o1 ZINC000604505592 460437205 /nfs/dbraw/zinc/43/72/05/460437205.db2.gz LVYHYJHXRHXAHI-UHFFFAOYSA-N 1 0 345.399 3.302 20 5 EGBDRO C[C@H](NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000604551711 460444740 /nfs/dbraw/zinc/44/47/40/460444740.db2.gz AVRIWUHGMOWGFI-ZDUSSCGKSA-N 1 0 347.459 3.352 20 5 EGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]Cc2nc(C3CC3)cs2)n1 ZINC000616008102 460449387 /nfs/dbraw/zinc/44/93/87/460449387.db2.gz FSAUBHQDRCOPLM-TZMCWYRMSA-N 1 0 347.444 3.399 20 5 EGBDRO C[C@H](CNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)[N@@H+]1CCCC[C@@H]1C ZINC000617698834 460958930 /nfs/dbraw/zinc/95/89/30/460958930.db2.gz VEHCQYNAYTYLTR-ZNMIVQPWSA-N 1 0 333.432 3.077 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(-c2nc(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)no2)c1 ZINC000601966270 460965366 /nfs/dbraw/zinc/96/53/66/460965366.db2.gz ZGRCGHUWTPBBFO-YHWZYXNKSA-N 1 0 328.372 3.293 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+]CCn2ccc(C(F)(F)F)n2)c(Cl)c1 ZINC000602018342 460992431 /nfs/dbraw/zinc/99/24/31/460992431.db2.gz ZHVKCHUHBJSXQR-UHFFFAOYSA-N 1 0 348.712 3.253 20 5 EGBDRO C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc(OCC2CC2)c(F)c1 ZINC000181569752 533877276 /nfs/dbraw/zinc/87/72/76/533877276.db2.gz HUTRXAYRCIVUEP-LBPRGKRZSA-N 1 0 348.378 3.070 20 5 EGBDRO O=C(CC[N@@H+]1CCc2ccsc2C1)Nc1ccccc1[N+](=O)[O-] ZINC000132637108 534417245 /nfs/dbraw/zinc/41/72/45/534417245.db2.gz PJQIKVPJGDOSBT-UHFFFAOYSA-N 1 0 331.397 3.043 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]Cc1cn2ccccc2n1)C1CC1 ZINC000159402473 534887892 /nfs/dbraw/zinc/88/78/92/534887892.db2.gz AUFOSOPSEUMQJJ-KRWDZBQOSA-N 1 0 336.395 3.353 20 5 EGBDRO CC(C)C(=O)N1CCC([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000192650882 527466544 /nfs/dbraw/zinc/46/65/44/527466544.db2.gz UGJIWHNPMNRRGR-SFHVURJKSA-N 1 0 345.443 3.209 20 5 EGBDRO CC1([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCOCC1 ZINC000131098960 528031824 /nfs/dbraw/zinc/03/18/24/528031824.db2.gz VPAGMAYMTUGQAP-UHFFFAOYSA-N 1 0 333.413 3.377 20 5 EGBDRO CCCC[N@H+](C)CC1CCN(C(=O)c2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000173712703 528337879 /nfs/dbraw/zinc/33/78/79/528337879.db2.gz GMEBYQSKTQHQLD-UHFFFAOYSA-N 1 0 347.459 3.487 20 5 EGBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H]2CSCCS2)cc1[N+](=O)[O-] ZINC000154181839 528607306 /nfs/dbraw/zinc/60/73/06/528607306.db2.gz KEMKEFSLVCWPOA-AAEUAGOBSA-N 1 0 342.486 3.493 20 5 EGBDRO CC[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccccc1OC(F)F ZINC000179713157 529172352 /nfs/dbraw/zinc/17/23/52/529172352.db2.gz PJARSWQCFKUGLV-GFCCVEGCSA-N 1 0 340.330 3.134 20 5 EGBDRO O=[N+]([O-])c1cc(Br)ccc1C[NH2+][C@H]1CCO[C@@H]1C1CC1 ZINC000232463348 547251702 /nfs/dbraw/zinc/25/17/02/547251702.db2.gz QKKPQFYINDZCKX-GXTWGEPZSA-N 1 0 341.205 3.014 20 5 EGBDRO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000495428522 547996788 /nfs/dbraw/zinc/99/67/88/547996788.db2.gz XOBQNVZKLJMHPT-KCXAZCMYSA-N 1 0 333.432 3.244 20 5 EGBDRO C[C@H]1CCC[N@@H+](C(C)(C)CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000726787320 574571607 /nfs/dbraw/zinc/57/16/07/574571607.db2.gz ODBNYGBESGWOOH-LBPRGKRZSA-N 1 0 336.392 3.425 20 5 EGBDRO O=C(C[N@@H+]1CCC[C@@H]1C1CCC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000728288235 574736228 /nfs/dbraw/zinc/73/62/28/574736228.db2.gz AUHWLMPRFSTGAZ-CQSZACIVSA-N 1 0 337.807 3.451 20 5 EGBDRO CCCOc1ccc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000731678170 575199197 /nfs/dbraw/zinc/19/91/97/575199197.db2.gz HOMXNKGLDVFGGE-GOSISDBHSA-N 1 0 330.384 3.207 20 5 EGBDRO CC(C)[C@@H](C[NH+](C)C)NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000733164195 575311964 /nfs/dbraw/zinc/31/19/64/575311964.db2.gz MDJYFRKKUXOGCF-CYBMUJFWSA-N 1 0 335.429 3.126 20 5 EGBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000733366143 575330886 /nfs/dbraw/zinc/33/08/86/575330886.db2.gz MRRXKNQPEYALJQ-GFCCVEGCSA-N 1 0 339.823 3.243 20 5 EGBDRO CN(c1ccccc1)c1ccc(C[NH2+][C@H](CO)C2CC2)cc1[N+](=O)[O-] ZINC000734165405 575450908 /nfs/dbraw/zinc/45/09/08/575450908.db2.gz YOBJZSVQBYBBST-QGZVFWFLSA-N 1 0 341.411 3.223 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1C ZINC000884294966 1302799250 /nfs/dbraw/zinc/79/92/50/1302799250.db2.gz NBCJCGNEJKBOHD-JKSUJKDBSA-N 1 0 345.443 3.063 20 5 EGBDRO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CCCCC1 ZINC000058913229 1291907475 /nfs/dbraw/zinc/90/74/75/1291907475.db2.gz CJHXAVARAMQJLO-INIZCTEOSA-N 1 0 336.392 3.425 20 5 EGBDRO C[C@@]1(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1(Cl)Cl ZINC000828310749 1292453875 /nfs/dbraw/zinc/45/38/75/1292453875.db2.gz GNTOYNLOHCYRHC-MFKMUULPSA-N 1 0 345.230 3.060 20 5 EGBDRO C[C@@H]1CN(c2ccc(N)cc2[N+](=O)[O-])CC[N@H+](Cc2ccccc2)C1 ZINC000829071972 1292536467 /nfs/dbraw/zinc/53/64/67/1292536467.db2.gz HRFHHRBTXWABNO-HNNXBMFYSA-N 1 0 340.427 3.135 20 5 EGBDRO COC(=O)Cc1ccccc1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000830166874 1292677110 /nfs/dbraw/zinc/67/71/10/1292677110.db2.gz AKPORZQSFPJMEA-ZDUSSCGKSA-N 1 0 328.368 3.161 20 5 EGBDRO C[C@@H](CCCc1cccnc1)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000834570088 1293118067 /nfs/dbraw/zinc/11/80/67/1293118067.db2.gz CQKDUXKZDLBKAE-KSSFIOAISA-N 1 0 329.400 3.024 20 5 EGBDRO CCC[C@@H]([NH2+]CCc1nnc2ccccn21)c1cccc([N+](=O)[O-])c1 ZINC000120400700 1293319940 /nfs/dbraw/zinc/31/99/40/1293319940.db2.gz CJAMQENJLVIBKL-MRXNPFEDSA-N 1 0 339.399 3.311 20 5 EGBDRO C[C@@H](O)C[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Br ZINC000124067897 1293466313 /nfs/dbraw/zinc/46/63/13/1293466313.db2.gz BHOGJBLQZMQKDK-PWSUYJOCSA-N 1 0 343.221 3.093 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CCC[C@H]4OCC[C@@H]43)CC2)cc1 ZINC000125095387 1293495592 /nfs/dbraw/zinc/49/55/92/1293495592.db2.gz BHJVSXSYHPMSDR-GUDVDZBRSA-N 1 0 345.443 3.111 20 5 EGBDRO C[C@@H]1CC[C@H]([NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@H](C)C1 ZINC000132037606 1293707075 /nfs/dbraw/zinc/70/70/75/1293707075.db2.gz PCUGCXCTYCJJSS-JMSVASOKSA-N 1 0 337.395 3.477 20 5 EGBDRO Cc1cc(F)cc(C(=O)NC2CC[NH+](C3CCCC3)CC2)c1[N+](=O)[O-] ZINC000151287035 1293917864 /nfs/dbraw/zinc/91/78/64/1293917864.db2.gz GRCHMELKRGVARP-UHFFFAOYSA-N 1 0 349.406 3.179 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000152184208 1293957741 /nfs/dbraw/zinc/95/77/41/1293957741.db2.gz HPOPGUUQTUHHAO-UHFFFAOYSA-N 1 0 335.747 3.489 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC2(CCCC2)C1 ZINC000173824262 1294472095 /nfs/dbraw/zinc/47/20/95/1294472095.db2.gz LEXOEKUEQLKXQP-UHFFFAOYSA-N 1 0 331.416 3.498 20 5 EGBDRO CCC[NH+](CCC)CCCNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000176181251 1294594965 /nfs/dbraw/zinc/59/49/65/1294594965.db2.gz ILCVPMVXPMPFGJ-UHFFFAOYSA-N 1 0 341.839 3.490 20 5 EGBDRO O=[N+]([O-])c1ccc2cnn(C[N@@H+]3CCS[C@H]4CCCC[C@@H]43)c2c1 ZINC000176822521 1294635311 /nfs/dbraw/zinc/63/53/11/1294635311.db2.gz YRZSZQSDAPPAHL-HOCLYGCPSA-N 1 0 332.429 3.262 20 5 EGBDRO CCOC(=O)N[C@H](C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)CC(C)C ZINC000178643805 1294747738 /nfs/dbraw/zinc/74/77/38/1294747738.db2.gz MXJNERSYNMNZSF-HIFRSBDPSA-N 1 0 337.420 3.406 20 5 EGBDRO Cn1ccnc1C[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000179432453 1294793355 /nfs/dbraw/zinc/79/33/55/1294793355.db2.gz OBFKVIMXEZVEAB-CYBMUJFWSA-N 1 0 348.834 3.436 20 5 EGBDRO C[NH+](C)CC[C@@H](NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000255520237 1296543233 /nfs/dbraw/zinc/54/32/33/1296543233.db2.gz VZEYGGDXBXVLNT-JXMNSVBMSA-N 1 0 333.432 3.091 20 5 EGBDRO CCO[C@@H]1COCC[C@H]1[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872062389 1296708585 /nfs/dbraw/zinc/70/85/85/1296708585.db2.gz MKQMWIBPHRYRKM-KCPJHIHWSA-N 1 0 340.445 3.161 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1C[C@H]2CCCCN2C1=O ZINC000872079178 1296721171 /nfs/dbraw/zinc/72/11/71/1296721171.db2.gz VXGRURXPCNJCPK-YWPYICTPSA-N 1 0 349.456 3.121 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCC(=O)N1CCCCCC1 ZINC000873030391 1297234364 /nfs/dbraw/zinc/23/43/64/1297234364.db2.gz FDRPODHOSAUMPQ-UHFFFAOYSA-N 1 0 333.432 3.094 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000873828159 1297697722 /nfs/dbraw/zinc/69/77/22/1297697722.db2.gz ICODCZIWLHFVHW-AWEZNQCLSA-N 1 0 333.432 3.206 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000874230323 1297823465 /nfs/dbraw/zinc/82/34/65/1297823465.db2.gz RKUMBXGWUPUXPZ-UHFFFAOYSA-N 1 0 333.432 3.062 20 5 EGBDRO C[C@H]([NH2+]C[C@@]1(O)CCCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000746046582 1298516414 /nfs/dbraw/zinc/51/64/14/1298516414.db2.gz AIMOPQCSURYJBA-LIRRHRJNSA-N 1 0 326.396 3.470 20 5 EGBDRO CC(C)C[N@H+](CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)C1CCCC1 ZINC000746055809 1298519282 /nfs/dbraw/zinc/51/92/82/1298519282.db2.gz GOEHYLCLSOATMC-UHFFFAOYSA-N 1 0 345.399 3.049 20 5 EGBDRO CC(C)Oc1ccc([C@H](O)C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000877039428 1299126943 /nfs/dbraw/zinc/12/69/43/1299126943.db2.gz FOFWFYSJDZQSIF-LJQANCHMSA-N 1 0 344.411 3.248 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C[NH+](C)C)c(F)c1 ZINC000749250719 1299177574 /nfs/dbraw/zinc/17/75/74/1299177574.db2.gz NUAXYGSZQSCSII-UHFFFAOYSA-N 1 0 347.346 3.056 20 5 EGBDRO CC(=O)NC1CCC([N@H+](C)Cc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000877314504 1299244901 /nfs/dbraw/zinc/24/49/01/1299244901.db2.gz FUCOOZBERGWUPO-UHFFFAOYSA-N 1 0 333.432 3.091 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CCC(c2ccncn2)CC1 ZINC000877586705 1299415659 /nfs/dbraw/zinc/41/56/59/1299415659.db2.gz PIGCZAQJAOZNOG-UHFFFAOYSA-N 1 0 326.400 3.381 20 5 EGBDRO CO[C@]1(C)C[C@@H]([N@H+](C)Cn2ncc3cc([N+](=O)[O-])ccc32)C1(C)C ZINC000751934223 1299656600 /nfs/dbraw/zinc/65/66/00/1299656600.db2.gz OZVFIXHOISAXSA-NVXWUHKLSA-N 1 0 332.404 3.037 20 5 EGBDRO O=[N+]([O-])c1cccc(C[N@@H+](C[C@H](O)CC2(O)CCCCC2)C2CC2)c1 ZINC000878202137 1299820154 /nfs/dbraw/zinc/82/01/54/1299820154.db2.gz MPNLVCHIEBEMES-GOSISDBHSA-N 1 0 348.443 3.005 20 5 EGBDRO C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)Cc1ccsc1 ZINC000753916388 1300040669 /nfs/dbraw/zinc/04/06/69/1300040669.db2.gz UMQACGXUYDJIGK-UHFFFAOYSA-N 1 0 337.376 3.256 20 5 EGBDRO CCS[C@@H]1CCC[C@@H]1[NH2+]Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878599230 1300099698 /nfs/dbraw/zinc/09/96/98/1300099698.db2.gz INJPFLKCROZHMO-GXTWGEPZSA-N 1 0 348.428 3.409 20 5 EGBDRO CCS[C@H]1CCC[C@H]1[NH2+]Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878599234 1300100509 /nfs/dbraw/zinc/10/05/09/1300100509.db2.gz INJPFLKCROZHMO-OCCSQVGLSA-N 1 0 348.428 3.409 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000761058869 1301396298 /nfs/dbraw/zinc/39/62/98/1301396298.db2.gz USJDKAGTAWDVDM-LLVKDONJSA-N 1 0 345.321 3.116 20 5 EGBDRO CCCCCC[N@H+](C)Cc1nc(-c2ccc(N)c([N+](=O)[O-])c2)no1 ZINC000761248244 1301427990 /nfs/dbraw/zinc/42/79/90/1301427990.db2.gz GYPFMTNDMMOWJW-UHFFFAOYSA-N 1 0 333.392 3.239 20 5 EGBDRO O=[N+]([O-])c1c(F)nccc1NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000881758576 1301714327 /nfs/dbraw/zinc/71/43/27/1301714327.db2.gz OEKJWFQXYVJBHL-GFCCVEGCSA-N 1 0 336.392 3.439 20 5 EGBDRO C[N@@H+]1CCC[C@H]2CN(c3nc4ccc([N+](=O)[O-])cc4s3)CC[C@@H]21 ZINC000765547130 1302281129 /nfs/dbraw/zinc/28/11/29/1302281129.db2.gz ZTYSSDQVLVGBFX-FZMZJTMJSA-N 1 0 332.429 3.125 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)CNC2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000765845225 1302339123 /nfs/dbraw/zinc/33/91/23/1302339123.db2.gz NPPNDQRHMDOPRS-LJQANCHMSA-N 1 0 347.459 3.015 20 5 EGBDRO Cc1nn(C[NH+]2CC(C)(C)CC(C)(C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000767513013 1302697400 /nfs/dbraw/zinc/69/74/00/1302697400.db2.gz KVIUUVIIUDGRES-UHFFFAOYSA-N 1 0 331.420 3.364 20 5 EGBDRO CC[C@H]1Cc2ccccc2C[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000767881447 1302778335 /nfs/dbraw/zinc/77/83/35/1302778335.db2.gz GURJRETZUCMLSP-HKUYNNGSSA-N 1 0 326.396 3.465 20 5 EGBDRO C[NH+]1CCC2(CCCN(c3ncc([N+](=O)[O-])c4ccccc43)C2)CC1 ZINC000884495747 1302885676 /nfs/dbraw/zinc/88/56/76/1302885676.db2.gz CRUSYHCFMKQNLK-UHFFFAOYSA-N 1 0 340.427 3.455 20 5 EGBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1c1ncc([N+](=O)[O-])c2ccccc21 ZINC000884506701 1302887780 /nfs/dbraw/zinc/88/77/80/1302887780.db2.gz KPQSBDCQDDXLNJ-UONOGXRCSA-N 1 0 326.400 3.206 20 5 EGBDRO CC[N@@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)C[C@@H]1CCOC1 ZINC000768521226 1302922568 /nfs/dbraw/zinc/92/25/68/1302922568.db2.gz NYZBCZBMBDFNNE-LBPRGKRZSA-N 1 0 343.221 3.216 20 5 EGBDRO Cc1ccc(C[NH+]2C[C@H]3CN(c4ccccc4)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000768980105 1303026276 /nfs/dbraw/zinc/02/62/76/1303026276.db2.gz FTWAYCHDVFBMCS-ROUUACIJSA-N 1 0 337.423 3.471 20 5 EGBDRO C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1F)[C@@H](c1ccccc1)[NH+](C)C ZINC000770052035 1303213004 /nfs/dbraw/zinc/21/30/04/1303213004.db2.gz VETRYYBBLKNKSD-PXAZEXFGSA-N 1 0 345.374 3.155 20 5 EGBDRO C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1F)[C@H](c1ccccc1)[NH+](C)C ZINC000770052037 1303213246 /nfs/dbraw/zinc/21/32/46/1303213246.db2.gz VETRYYBBLKNKSD-SJKOYZFVSA-N 1 0 345.374 3.155 20 5 EGBDRO Cc1[nH]c(C2CCN(Cc3c(F)cccc3[N+](=O)[O-])CC2)[nH+]c1C ZINC000886666312 1303546238 /nfs/dbraw/zinc/54/62/38/1303546238.db2.gz QTMQGMCVYIPXDN-UHFFFAOYSA-N 1 0 332.379 3.453 20 5 EGBDRO COc1ccc(C[NH+]2CCC(c3nc(C)c(C)[nH]3)CC2)cc1[N+](=O)[O-] ZINC000886668711 1303548954 /nfs/dbraw/zinc/54/89/54/1303548954.db2.gz YHCNODJSPJIGLT-UHFFFAOYSA-N 1 0 344.415 3.323 20 5 EGBDRO CC(C)(C)OC(=O)N1CC([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000774216340 1303787717 /nfs/dbraw/zinc/78/77/17/1303787717.db2.gz FVEWQSOVQFBBFX-INIZCTEOSA-N 1 0 347.415 3.181 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@H]2CCCc3ccccc32)cc1 ZINC000776273436 1304125183 /nfs/dbraw/zinc/12/51/83/1304125183.db2.gz BDOGSMNABCFAAD-VQIMIIECSA-N 1 0 326.396 3.338 20 5 EGBDRO COc1ccc([C@@H](C)[N@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000776277237 1304126852 /nfs/dbraw/zinc/12/68/52/1304126852.db2.gz QBOOHXUMWCJRMO-ACJLOTCBSA-N 1 0 330.384 3.330 20 5 EGBDRO C[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCc2ccccc2C1 ZINC000776584286 1304175464 /nfs/dbraw/zinc/17/54/64/1304175464.db2.gz KDPMSAMCWGYMFO-RTBURBONSA-N 1 0 326.396 3.118 20 5 EGBDRO CC[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H](C)c1cccc(O)c1 ZINC000776588614 1304176685 /nfs/dbraw/zinc/17/66/85/1304176685.db2.gz ACNRNGKCEYTHGC-SCLBCKFNSA-N 1 0 330.384 3.417 20 5 EGBDRO C[NH+]1CCC(C)(CNC(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000780548543 1304708122 /nfs/dbraw/zinc/70/81/22/1304708122.db2.gz ZRAOLULABXSYBZ-UHFFFAOYSA-N 1 0 340.811 3.102 20 5 EGBDRO CC(C)[C@H](C(=O)OCc1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCCC1 ZINC000782335502 1304956854 /nfs/dbraw/zinc/95/68/54/1304956854.db2.gz CRGHAHGVCAKMHA-OAHLLOKOSA-N 1 0 340.807 3.412 20 5 EGBDRO CCS[C@@H]1CC[C@H]([N@H+](C)Cc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC000892197575 1305278622 /nfs/dbraw/zinc/27/86/22/1305278622.db2.gz RPVMUIABRIBASV-QWHCGFSZSA-N 1 0 340.445 3.415 20 5 EGBDRO COc1c(O)ccc(C[NH2+]C[C@@H](C)c2cccc(F)c2)c1[N+](=O)[O-] ZINC000892745125 1305536427 /nfs/dbraw/zinc/53/64/27/1305536427.db2.gz KRMSWRAULQJYTM-LLVKDONJSA-N 1 0 334.347 3.341 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](O)c1cccc(F)c1 ZINC000786814238 1305634452 /nfs/dbraw/zinc/63/44/52/1305634452.db2.gz YMSSHDFZTNXMGT-INMULRNOSA-N 1 0 330.359 3.460 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](O)c1cccc(F)c1 ZINC000786814241 1305634576 /nfs/dbraw/zinc/63/45/76/1305634576.db2.gz YMSSHDFZTNXMGT-RORWEDLISA-N 1 0 330.359 3.460 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCc2ccccc2OC1 ZINC000786832916 1305637926 /nfs/dbraw/zinc/63/79/26/1305637926.db2.gz UCQJMBILHHPCLY-HNNXBMFYSA-N 1 0 328.368 3.087 20 5 EGBDRO COc1ccc(COC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)cc1[N+](=O)[O-] ZINC000786878297 1305645798 /nfs/dbraw/zinc/64/57/98/1305645798.db2.gz JNZSBQKMWOBBBF-OAHLLOKOSA-N 1 0 348.399 3.054 20 5 EGBDRO O=C(OCc1cc(F)ccc1[N+](=O)[O-])[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000786882399 1305648669 /nfs/dbraw/zinc/64/86/69/1305648669.db2.gz VUWQLOJOBQWCHJ-MRXNPFEDSA-N 1 0 336.363 3.184 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@H](C2OCCO2)C1 ZINC000787406550 1305742362 /nfs/dbraw/zinc/74/23/62/1305742362.db2.gz PXLAHPKUEKJSCT-DNXIFWLFSA-N 1 0 332.400 3.083 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@H](C2(C)OCCO2)C1 ZINC000787414020 1305743828 /nfs/dbraw/zinc/74/38/28/1305743828.db2.gz WLSFQOVVLGASSE-JMPLCFMRSA-N 1 0 346.427 3.473 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@@H]1CCN(c2ccccn2)C1 ZINC000893229789 1305775082 /nfs/dbraw/zinc/77/50/82/1305775082.db2.gz JLEMZNRBEJFHRK-CQSZACIVSA-N 1 0 332.791 3.012 20 5 EGBDRO Cn1ncc(C[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])c1C1CC1 ZINC000893404337 1305874242 /nfs/dbraw/zinc/87/42/42/1305874242.db2.gz ZRYCBIXYDRMOIO-UHFFFAOYSA-N 1 0 334.807 3.191 20 5 EGBDRO CCN(CCC[NH+](CC)CC)C(=O)c1cc(F)cc(C)c1[N+](=O)[O-] ZINC000788539162 1305965383 /nfs/dbraw/zinc/96/53/83/1305965383.db2.gz LXYGVKDWAJFQDQ-UHFFFAOYSA-N 1 0 339.411 3.236 20 5 EGBDRO COc1ccc(C[NH2+][C@@H](C(C)C)[C@@H](O)c2ccccc2)cc1[N+](=O)[O-] ZINC000788541327 1305966988 /nfs/dbraw/zinc/96/69/88/1305966988.db2.gz VQFCDJKILRNUAK-OALUTQOASA-N 1 0 344.411 3.451 20 5 EGBDRO C[C@H]([NH2+]C[C@@H](c1ccc(F)cc1)N(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788559442 1305970927 /nfs/dbraw/zinc/97/09/27/1305970927.db2.gz XYUMKYRQBLSVGI-SGTLLEGYSA-N 1 0 346.406 3.270 20 5 EGBDRO C[N@H+](CCSc1nc2ccccn2c1[N+](=O)[O-])Cc1ccccc1 ZINC000788568980 1305973764 /nfs/dbraw/zinc/97/37/64/1305973764.db2.gz PMHQDIBEOUTVHP-UHFFFAOYSA-N 1 0 342.424 3.467 20 5 EGBDRO Cc1c(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cccc1[N+](=O)[O-] ZINC000788774391 1306014202 /nfs/dbraw/zinc/01/42/02/1306014202.db2.gz CWUBEWHSZSGZCX-NSHDSACASA-N 1 0 330.344 3.244 20 5 EGBDRO C[C@H]1CCSCC[N@@H+]1Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000790477986 1306333457 /nfs/dbraw/zinc/33/34/57/1306333457.db2.gz NHXUBTOGYDRJKQ-ZDUSSCGKSA-N 1 0 332.429 3.243 20 5 EGBDRO COc1c(O)ccc(CN2Cc3ccccc3O[C@H](C)C2)c1[N+](=O)[O-] ZINC000894593476 1308969249 /nfs/dbraw/zinc/96/92/49/1308969249.db2.gz TUEHIMJRMHBNOA-GFCCVEGCSA-N 1 0 344.367 3.092 20 5 EGBDRO CCn1ccc(C[N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)c1 ZINC000792314240 1309160717 /nfs/dbraw/zinc/16/07/17/1309160717.db2.gz QBXSXCPOMIGXFW-UHFFFAOYSA-N 1 0 348.378 3.016 20 5 EGBDRO Cc1ccc(CCC[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC000792767584 1309228002 /nfs/dbraw/zinc/22/80/02/1309228002.db2.gz TXRYOFFITGKLDE-UHFFFAOYSA-N 1 0 340.427 3.053 20 5 EGBDRO C[C@@H](Nc1cc(N2CCSCC2)ncn1)c1ccc([N+](=O)[O-])cc1 ZINC000895667733 1309456272 /nfs/dbraw/zinc/45/62/72/1309456272.db2.gz UFEROZCOELKLHY-GFCCVEGCSA-N 1 0 345.428 3.111 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCCC[NH+](C(C)C)C(C)C)c1C ZINC000896789912 1310015683 /nfs/dbraw/zinc/01/56/83/1310015683.db2.gz KGPICLVPJWZZCD-UHFFFAOYSA-N 1 0 335.448 3.450 20 5 EGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]Cc1cnn(CC2CCC2)c1 ZINC000897429941 1310333617 /nfs/dbraw/zinc/33/36/17/1310333617.db2.gz NRAOUOOHUWBFPT-KRWDZBQOSA-N 1 0 326.400 3.369 20 5 EGBDRO CC[N@H+](CCC(=O)NC)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000897710638 1310440026 /nfs/dbraw/zinc/44/00/26/1310440026.db2.gz ZYOKVNYZPGCPQA-UHFFFAOYSA-N 1 0 347.440 3.281 20 5 EGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CCOC2CCSCC2)c1 ZINC000898442303 1310735699 /nfs/dbraw/zinc/73/56/99/1310735699.db2.gz LXZHVLPLOXWTMU-UHFFFAOYSA-N 1 0 330.837 3.250 20 5 EGBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H](O)c1cccc(Cl)c1 ZINC000801601802 1310972955 /nfs/dbraw/zinc/97/29/55/1310972955.db2.gz OMYJWMAOVPEBHY-KRWDZBQOSA-N 1 0 334.803 3.456 20 5 EGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)c1 ZINC000806146554 1317464953 /nfs/dbraw/zinc/46/49/53/1317464953.db2.gz BYYOSMCYJOUKLN-JOYOIKCWSA-N 1 0 338.713 3.448 20 5 EGBDRO CC(C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)=C1CCCC1 ZINC001020064323 1317528862 /nfs/dbraw/zinc/52/88/62/1317528862.db2.gz NKDOFHSGSVGCGV-QAQDUYKDSA-N 1 0 343.427 3.222 20 5 EGBDRO C[C@@H]([NH2+]CC1(NC(=O)OC(C)(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000903239830 1317679192 /nfs/dbraw/zinc/67/91/92/1317679192.db2.gz PSDMSAATWYJCPV-GFCCVEGCSA-N 1 0 335.404 3.303 20 5 EGBDRO CC(C)(C)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000904187651 1317807388 /nfs/dbraw/zinc/80/73/88/1317807388.db2.gz KYGQLELYPPAYGN-UHFFFAOYSA-N 1 0 333.310 3.330 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)n1cc(C[N@H+](C)C(C)(C)C)nn1 ZINC000905812012 1318004223 /nfs/dbraw/zinc/00/42/23/1318004223.db2.gz RWSXLDCWCWGWRS-ZDUSSCGKSA-N 1 0 331.420 3.334 20 5 EGBDRO Cc1nc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)sc1C ZINC000905853584 1318008003 /nfs/dbraw/zinc/00/80/03/1318008003.db2.gz SWDRODMYMLAYTC-MNOVXSKESA-N 1 0 348.428 3.346 20 5 EGBDRO CC(=O)N(C)c1ccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000858493958 1328779023 /nfs/dbraw/zinc/77/90/23/1328779023.db2.gz BERQQTIEJIPPJW-CYBMUJFWSA-N 1 0 327.384 3.428 20 5 EGBDRO CC(=O)N(C)c1ccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000858495005 1328779371 /nfs/dbraw/zinc/77/93/71/1328779371.db2.gz QZRAWFDZYBOUFV-ZDUSSCGKSA-N 1 0 327.384 3.428 20 5 EGBDRO CC1(C)C(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)C1(C)C ZINC001021944628 1318740667 /nfs/dbraw/zinc/74/06/67/1318740667.db2.gz QAONYBPXVORFHO-OKILXGFUSA-N 1 0 345.443 3.014 20 5 EGBDRO Cc1cc(Cl)c(C(=O)OCC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000815406200 1318980239 /nfs/dbraw/zinc/98/02/39/1318980239.db2.gz YGNIZAGTGDYOGH-UHFFFAOYSA-N 1 0 326.780 3.199 20 5 EGBDRO C[C@H]([NH2+]C[C@@H]1CCOc2ccccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815578712 1319019368 /nfs/dbraw/zinc/01/93/68/1319019368.db2.gz UPUBQUYVLFMGCM-JSGCOSHPSA-N 1 0 327.384 3.394 20 5 EGBDRO C[C@H]([NH2+]C[C@H]1CCOc2ccccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815578711 1319019625 /nfs/dbraw/zinc/01/96/25/1319019625.db2.gz UPUBQUYVLFMGCM-GXTWGEPZSA-N 1 0 327.384 3.394 20 5 EGBDRO C[C@H]([NH2+][C@@H]1CCOc2ccc(F)cc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815592865 1319023733 /nfs/dbraw/zinc/02/37/33/1319023733.db2.gz VAGXQECNQFAJKN-ZUZCIYMTSA-N 1 0 331.347 3.491 20 5 EGBDRO CC(C)[C@]1(CO)CCC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000816662745 1319203472 /nfs/dbraw/zinc/20/34/72/1319203472.db2.gz XJAKUPCEDVSWCS-MRXNPFEDSA-N 1 0 326.824 3.479 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C(=O)NC2CCC([NH+](C)C)CC2)cc1Cl ZINC000817485522 1319375531 /nfs/dbraw/zinc/37/55/31/1319375531.db2.gz RGGSECGIIFGDAM-UHFFFAOYSA-N 1 0 339.823 3.159 20 5 EGBDRO CCc1cccc2c1OCC[C@H]2[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818997901 1319610307 /nfs/dbraw/zinc/61/03/07/1319610307.db2.gz NQPPDUVMMGWODA-MSOLQXFVSA-N 1 0 342.395 3.304 20 5 EGBDRO CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C12CCCCC2 ZINC000819103910 1319636676 /nfs/dbraw/zinc/63/66/76/1319636676.db2.gz MLCAHUNCPOJHIP-KZNAEPCWSA-N 1 0 348.443 3.346 20 5 EGBDRO CC[C@@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)Oc1ccccc1F ZINC000819134041 1319645141 /nfs/dbraw/zinc/64/51/41/1319645141.db2.gz DJEYBTAZCBRTQM-RDJZCZTQSA-N 1 0 348.374 3.215 20 5 EGBDRO CC[C@H](C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)Oc1cccc(F)c1 ZINC000819142572 1319647717 /nfs/dbraw/zinc/64/77/17/1319647717.db2.gz RVZDXGCSSJJWJZ-SJLPKXTDSA-N 1 0 348.374 3.215 20 5 EGBDRO COc1ccc(C[C@H](C)C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000819189678 1319662205 /nfs/dbraw/zinc/66/22/05/1319662205.db2.gz DPRHVIKIVLZZPR-LIRRHRJNSA-N 1 0 344.411 3.105 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H]2CCO[C@H](c3ccccc3)C2)cc1 ZINC000819236128 1319676841 /nfs/dbraw/zinc/67/68/41/1319676841.db2.gz QIPKPNOMBJTVCS-UHOSZYNNSA-N 1 0 342.395 3.138 20 5 EGBDRO CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC000821522547 1320019652 /nfs/dbraw/zinc/01/96/52/1320019652.db2.gz SNAUDJVBFLGWMR-MRXNPFEDSA-N 1 0 334.420 3.226 20 5 EGBDRO COc1cc(C[N@H+](C)C[C@@](C)(O)c2ccccc2)c([N+](=O)[O-])cc1F ZINC000823607214 1320192015 /nfs/dbraw/zinc/19/20/15/1320192015.db2.gz ZTAAYVJUMSUTDA-GOSISDBHSA-N 1 0 348.374 3.082 20 5 EGBDRO Cc1c(CC(=O)N2CCCC[C@H]2[C@@H](C)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000823678382 1320197938 /nfs/dbraw/zinc/19/79/38/1320197938.db2.gz JQFPQAHFUMUSAW-YOEHRIQHSA-N 1 0 347.459 3.025 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000824361835 1320251352 /nfs/dbraw/zinc/25/13/52/1320251352.db2.gz TYXZEJYBOOAHAK-AWEZNQCLSA-N 1 0 333.432 3.062 20 5 EGBDRO CCn1cc([C@H](C)[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC000825130398 1320313642 /nfs/dbraw/zinc/31/36/42/1320313642.db2.gz XJOUMGQENPEQPZ-AWEZNQCLSA-N 1 0 343.431 3.131 20 5 EGBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)C[C@H]1C ZINC000827573654 1320460804 /nfs/dbraw/zinc/46/08/04/1320460804.db2.gz MYVPDMISZRGOKS-VXGBXAGGSA-N 1 0 339.823 3.111 20 5 EGBDRO CO[C@@H]1CCC[C@H]1[NH2+]Cc1c(Br)cccc1[N+](=O)[O-] ZINC000930639024 1328922335 /nfs/dbraw/zinc/92/23/35/1328922335.db2.gz DKOGFOMHGTXWDV-DGCLKSJQSA-N 1 0 329.194 3.014 20 5 EGBDRO Cc1cc(Cl)c(C(=O)NC(C)(C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000839439395 1320920684 /nfs/dbraw/zinc/92/06/84/1320920684.db2.gz VHSQDRABZXQLTH-UHFFFAOYSA-N 1 0 339.823 3.161 20 5 EGBDRO C[C@H]([N@H+](C)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C1(C)CC1 ZINC000839502226 1320930090 /nfs/dbraw/zinc/93/00/90/1320930090.db2.gz KIMCXPZRKANIDI-JTQLQIEISA-N 1 0 325.796 3.307 20 5 EGBDRO CC(C)[C@H]1C[N@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)CCCO1 ZINC000840095805 1321027437 /nfs/dbraw/zinc/02/74/37/1321027437.db2.gz LIFXLIJZEBDZOI-GOSISDBHSA-N 1 0 344.415 3.163 20 5 EGBDRO CC(C)[C@H]1C[N@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)CCCO1 ZINC000840093647 1321027783 /nfs/dbraw/zinc/02/77/83/1321027783.db2.gz CDEPDSZRDOUOPA-GOSISDBHSA-N 1 0 344.415 3.163 20 5 EGBDRO C[N@@H+]1CCCC[C@H]1CCOC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000840260753 1321061265 /nfs/dbraw/zinc/06/12/65/1321061265.db2.gz IPXHUYSDKDAATI-NSHDSACASA-N 1 0 326.780 3.279 20 5 EGBDRO CO[C@H]1c2ccccc2C[C@H]1[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000840848133 1321161850 /nfs/dbraw/zinc/16/18/50/1321161850.db2.gz RAKASOKTPZQOFQ-LSKLOWJMSA-N 1 0 327.384 3.140 20 5 EGBDRO CC(C)C[C@](C)(C[NH3+])NC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841104258 1321219070 /nfs/dbraw/zinc/21/90/70/1321219070.db2.gz WAIPPYKOMJAOIC-CQSZACIVSA-N 1 0 328.800 3.133 20 5 EGBDRO Cc1cc(NC(=O)N2CCCC3(CC[NH+](C)CC3)C2)ccc1[N+](=O)[O-] ZINC000930732565 1328952654 /nfs/dbraw/zinc/95/26/54/1328952654.db2.gz NAKGGGSAEHCCNW-UHFFFAOYSA-N 1 0 346.431 3.243 20 5 EGBDRO C[NH2+]C[C@@H](C)c1noc(-c2csc(-c3cccc([N+](=O)[O-])c3)n2)n1 ZINC000842581920 1321403633 /nfs/dbraw/zinc/40/36/33/1321403633.db2.gz MOAODMVJOPQOLT-SECBINFHSA-N 1 0 345.384 3.091 20 5 EGBDRO CC(C)[C@H]([NH3+])c1noc(Cn2c3ccccc3c(=O)c3ccccc32)n1 ZINC000843153203 1321479117 /nfs/dbraw/zinc/47/91/17/1321479117.db2.gz MKBZJGLIVOTNBR-SFHVURJKSA-N 1 0 348.406 3.242 20 5 EGBDRO CC(C)[C@@H]([NH3+])c1noc(Cn2c3ccccc3c(=O)c3ccccc32)n1 ZINC000843153202 1321479259 /nfs/dbraw/zinc/47/92/59/1321479259.db2.gz MKBZJGLIVOTNBR-GOSISDBHSA-N 1 0 348.406 3.242 20 5 EGBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC000843757043 1321544288 /nfs/dbraw/zinc/54/42/88/1321544288.db2.gz ICVWCLAKGYGHNU-GFCCVEGCSA-N 1 0 337.395 3.037 20 5 EGBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000843759303 1321544752 /nfs/dbraw/zinc/54/47/52/1321544752.db2.gz DMQYSKGVOCNZGY-UHFFFAOYSA-N 1 0 345.374 3.034 20 5 EGBDRO C[C@@H]([NH2+]C1(C2CCC2)CC1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000844418715 1321604155 /nfs/dbraw/zinc/60/41/55/1321604155.db2.gz SHTOBZUAPRNWRN-SNVBAGLBSA-N 1 0 337.807 3.498 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C(=O)N2[C@H](C)C[N@H+](C)[C@@H](C)[C@@H]2C)cc1Cl ZINC000844645802 1321629949 /nfs/dbraw/zinc/62/99/49/1321629949.db2.gz ICYHKMBZMGJKHP-WOPDTQHZSA-N 1 0 339.823 3.110 20 5 EGBDRO CSc1ccc(C(=O)OC[C@@H]2CC[N@@H+]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000845740654 1321740303 /nfs/dbraw/zinc/74/03/03/1321740303.db2.gz QRNIZVPYPSXMQP-LBPRGKRZSA-N 1 0 338.429 3.346 20 5 EGBDRO Cc1nccn1-c1ccc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])cn1 ZINC000848521292 1321968530 /nfs/dbraw/zinc/96/85/30/1321968530.db2.gz MMMISXRTPYSTOQ-QGZVFWFLSA-N 1 0 349.394 3.261 20 5 EGBDRO COc1ccc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])cc1[N+](=O)[O-] ZINC000848525595 1321968943 /nfs/dbraw/zinc/96/89/43/1321968943.db2.gz OGRIRHXHAJGCBU-AWEZNQCLSA-N 1 0 343.339 3.289 20 5 EGBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000848534815 1321970748 /nfs/dbraw/zinc/97/07/48/1321970748.db2.gz VKCRCBAAXCSZHT-MRXNPFEDSA-N 1 0 343.339 3.159 20 5 EGBDRO O=C(OCc1ccccc1[N+](=O)[O-])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000848773694 1322006358 /nfs/dbraw/zinc/00/63/58/1322006358.db2.gz ANQFHKXYQNSSFU-MRXNPFEDSA-N 1 0 340.379 3.160 20 5 EGBDRO COc1cc(N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c([N+](=O)[O-])cc1OC ZINC000848785889 1322011166 /nfs/dbraw/zinc/01/11/66/1322011166.db2.gz OETUPEHOZXBRPX-TZMCWYRMSA-N 1 0 335.404 3.041 20 5 EGBDRO C[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)C(=O)OC(C)(C)C ZINC000848925630 1322047897 /nfs/dbraw/zinc/04/78/97/1322047897.db2.gz AOVFKMQNMBANNQ-SNVBAGLBSA-N 1 0 328.796 3.316 20 5 EGBDRO CC1CC[NH+](CCCCNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000920290173 1322159747 /nfs/dbraw/zinc/15/97/47/1322159747.db2.gz QMBAFCPOOBSDPW-TWGQIWQCSA-N 1 0 345.443 3.236 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000850431357 1322247893 /nfs/dbraw/zinc/24/78/93/1322247893.db2.gz BNWRKYBOCSHMGT-GFCCVEGCSA-N 1 0 345.355 3.405 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CCc1nc2c(s1)CCC2 ZINC000922718703 1322602718 /nfs/dbraw/zinc/60/27/18/1322602718.db2.gz XQRCSACWVDRPAO-GQCTYLIASA-N 1 0 329.425 3.386 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CCc1nc2c(s1)CCC2 ZINC000922718705 1322602730 /nfs/dbraw/zinc/60/27/30/1322602730.db2.gz XQRCSACWVDRPAO-XQRVVYSFSA-N 1 0 329.425 3.386 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cc(C2CC2)n(C)n1 ZINC000922954532 1322660306 /nfs/dbraw/zinc/66/03/06/1322660306.db2.gz GGYWOXPDKOBSGC-MDWZMJQESA-N 1 0 326.400 3.399 20 5 EGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)c([N+](=O)[O-])c1 ZINC000852595861 1323212992 /nfs/dbraw/zinc/21/29/92/1323212992.db2.gz JHCJBPCLVBPKMA-RHSMWYFYSA-N 1 0 349.387 3.284 20 5 EGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)c([N+](=O)[O-])c1 ZINC000852595859 1323213625 /nfs/dbraw/zinc/21/36/25/1323213625.db2.gz JHCJBPCLVBPKMA-PBHICJAKSA-N 1 0 349.387 3.284 20 5 EGBDRO O=[N+]([O-])c1cn(C[N@@H+]2CCC[C@H]2C2CCC2)nc1-c1ccccn1 ZINC000853495536 1325103419 /nfs/dbraw/zinc/10/34/19/1325103419.db2.gz SPQNDLYCOVTHFW-HNNXBMFYSA-N 1 0 327.388 3.075 20 5 EGBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000854650122 1325289984 /nfs/dbraw/zinc/28/99/84/1325289984.db2.gz NFWHJNLDWAEEQL-UFBFGSQYSA-N 1 0 346.214 3.066 20 5 EGBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000855813101 1325419660 /nfs/dbraw/zinc/41/96/60/1325419660.db2.gz ZBZPEXOMPFVKKN-CLOOOTJHSA-N 1 0 343.427 3.131 20 5 EGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1cc(C2CC2)nn1C ZINC000927101091 1327863123 /nfs/dbraw/zinc/86/31/23/1327863123.db2.gz PVWXCLLPLNLWFF-NSHDSACASA-N 1 0 332.379 3.066 20 5 EGBDRO Cc1ccc(C[N@@H+](C)C[C@H](C)NC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000862540837 1329494421 /nfs/dbraw/zinc/49/44/21/1329494421.db2.gz KVUBTQPDXDHNDZ-ZDUSSCGKSA-N 1 0 337.420 3.248 20 5 EGBDRO C[NH+](C)CCN(Cc1cccc(F)c1)c1ccc([N+](=O)[O-])cc1F ZINC000864004760 1329593599 /nfs/dbraw/zinc/59/35/99/1329593599.db2.gz BEDAMYHCCLQZGD-UHFFFAOYSA-N 1 0 335.354 3.441 20 5 EGBDRO C[NH+](C)C1(CNc2c(Cl)c(Cl)ccc2[N+](=O)[O-])CCOCC1 ZINC000865538634 1329710773 /nfs/dbraw/zinc/71/07/73/1329710773.db2.gz MHJBFFMERMJHFN-UHFFFAOYSA-N 1 0 348.230 3.424 20 5 EGBDRO C[C@@H]([NH2+]CCC(=O)N(C)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000932178528 1329791377 /nfs/dbraw/zinc/79/13/77/1329791377.db2.gz OVTUOYLLTDJMCX-CQSZACIVSA-N 1 0 327.384 3.299 20 5 EGBDRO C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000932275443 1329802857 /nfs/dbraw/zinc/80/28/57/1329802857.db2.gz GLDSVTQFNBZKTL-QAPCUYQASA-N 1 0 341.411 3.025 20 5 EGBDRO CC(C)C[N@@H+](Cc1ccccn1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000932445381 1329815650 /nfs/dbraw/zinc/81/56/50/1329815650.db2.gz DVLJEKLLEURIPA-GOSISDBHSA-N 1 0 329.400 3.181 20 5 EGBDRO Cc1noc(C[C@H]2CCC[N@H+](Cc3ccc(C)c([N+](=O)[O-])c3)C2)n1 ZINC000933565102 1329901270 /nfs/dbraw/zinc/90/12/70/1329901270.db2.gz MCTWUOVPHLRHAB-CQSZACIVSA-N 1 0 330.388 3.049 20 5 EGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCn1cnc2ccccc21 ZINC000866247631 1330084951 /nfs/dbraw/zinc/08/49/51/1330084951.db2.gz WOWGEGPPMDCRTQ-ZDUSSCGKSA-N 1 0 342.374 3.304 20 5 EGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H](CCO)Cc1ccccc1 ZINC000866352787 1330101003 /nfs/dbraw/zinc/10/10/03/1330101003.db2.gz MDMZUTJGYHEGFT-KBXCAEBGSA-N 1 0 346.402 3.248 20 5 EGBDRO CC[C@@H](CNC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000867949141 1330232032 /nfs/dbraw/zinc/23/20/32/1330232032.db2.gz OVRDPHNJFKRMDG-LIRRHRJNSA-N 1 0 341.411 3.079 20 5 EGBDRO Cc1cccc([C@H](C)NC(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)c1C ZINC000867952543 1330232471 /nfs/dbraw/zinc/23/24/71/1330232471.db2.gz CHONZJCQSQGRON-LIRRHRJNSA-N 1 0 341.411 3.263 20 5 EGBDRO O=C(N[C@H]1CC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1)C1CCCC1 ZINC001034579655 1342626192 /nfs/dbraw/zinc/62/61/92/1342626192.db2.gz BDYXNUQQAMXDAN-QAQDUYKDSA-N 1 0 345.443 3.302 20 5 EGBDRO O=C(CC1CCC1)N[C@H]1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001034614270 1342648512 /nfs/dbraw/zinc/64/85/12/1342648512.db2.gz KSDGLJMZHLOPKK-QAQDUYKDSA-N 1 0 345.443 3.302 20 5 EGBDRO CC1(NC(=O)C2CC=CC2)CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001045395827 1346582160 /nfs/dbraw/zinc/58/21/60/1346582160.db2.gz UQNKUBZLWTXRAO-UHFFFAOYSA-N 1 0 343.427 3.032 20 5 EGBDRO CS[C@H]1CC[C@H]([N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC001324187037 1387553328 /nfs/dbraw/zinc/55/33/28/1387553328.db2.gz QKRRXLWSGCQAQU-JSGCOSHPSA-N 1 0 337.445 3.058 20 5 EGBDRO Cc1cccc(NC[C@H]2CCC[N@@H+]2Cc2ccccc2[N+](=O)[O-])n1 ZINC001324297113 1387586386 /nfs/dbraw/zinc/58/63/86/1387586386.db2.gz HFJSZBBUWQXKCM-MRXNPFEDSA-N 1 0 326.400 3.375 20 5 EGBDRO CC(=O)N1CCC(C(C)(C)C[NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC001101501537 1364584676 /nfs/dbraw/zinc/58/46/76/1364584676.db2.gz XHNQWXANVHKPRR-UHFFFAOYSA-N 1 0 339.461 3.031 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1-c1nc([C@@H]2C[NH+]3CCC2CC3)no1 ZINC001325472337 1387985385 /nfs/dbraw/zinc/98/53/85/1387985385.db2.gz AJTLGSZOEJVRSK-CQSZACIVSA-N 1 0 328.372 3.071 20 5 EGBDRO CCCCCC(=O)N1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001199335513 1369209880 /nfs/dbraw/zinc/20/98/80/1369209880.db2.gz XYKVYSUERRRUHA-UHFFFAOYSA-N 1 0 333.432 3.256 20 5 EGBDRO COc1cc(C[N@H+](C)[C@@H]2CC[C@@H](SC)C2)c([N+](=O)[O-])cc1F ZINC001116607647 1370944767 /nfs/dbraw/zinc/94/47/67/1370944767.db2.gz YQOAAFKFGAAZDY-VXGBXAGGSA-N 1 0 328.409 3.458 20 5 EGBDRO CCCCC(=O)NC1CC2(C1)CC([NH2+]Cc1cccc([N+](=O)[O-])c1)C2 ZINC001120640169 1371675868 /nfs/dbraw/zinc/67/58/68/1371675868.db2.gz YMRXWBCCGDVAKP-UHFFFAOYSA-N 1 0 345.443 3.302 20 5 EGBDRO C/C=C(/C)C(=O)NC1CC2(C1)CC([NH2+]Cc1cccc([N+](=O)[O-])c1)C2 ZINC001120907081 1371802947 /nfs/dbraw/zinc/80/29/47/1371802947.db2.gz FWRPNJJJVSYZPH-DXNYSGJVSA-N 1 0 343.427 3.078 20 5 EGBDRO CCC[N@@H+]1CCc2c(N)sc(Nc3ccc(O)c([N+](=O)[O-])c3)c2C1 ZINC001210396402 1372342400 /nfs/dbraw/zinc/34/24/00/1372342400.db2.gz QWNDRZDKFQBYQZ-UHFFFAOYSA-N 1 0 348.428 3.456 20 5 EGBDRO Cc1cc(NC(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC001123453193 1372474465 /nfs/dbraw/zinc/47/44/65/1372474465.db2.gz FLDWMFJEENBPNP-CQSZACIVSA-N 1 0 346.431 3.241 20 5 EGBDRO C[N@@H+]1CC[C@H](c2nc(-c3ccc4ccc5cccnc5c4n3)no2)C1 ZINC001211420699 1372555166 /nfs/dbraw/zinc/55/51/66/1372555166.db2.gz NNNJWUXIOJKABW-AWEZNQCLSA-N 1 0 331.379 3.252 20 5 EGBDRO c1cnc2c(c1)ccc1ccc(-c3noc([C@H]4[NH2+]C[C@H]5C[C@H]54)n3)nc12 ZINC001211568471 1372582276 /nfs/dbraw/zinc/58/22/76/1372582276.db2.gz KUIMDNYJSLABND-XNJGSVPQSA-N 1 0 329.363 3.113 20 5 EGBDRO Cc1cc(Br)c(O[C@@H]2CCC[NH2+]C[C@H]2F)cc1[N+](=O)[O-] ZINC001217946362 1373515500 /nfs/dbraw/zinc/51/55/00/1373515500.db2.gz HCICYJFTIGSHKL-ZYHUDNBSSA-N 1 0 347.184 3.135 20 5 EGBDRO C[C@H]1C[NH2+]CCC[C@H]1Oc1cc([N+](=O)[O-])c(F)cc1Br ZINC001217985373 1373526466 /nfs/dbraw/zinc/52/64/66/1373526466.db2.gz IXUYXDILUXXHAZ-QPUJVOFHSA-N 1 0 347.184 3.263 20 5 EGBDRO C[C@@H]1C[NH2+]CCC[C@H]1Oc1c(F)cc(Br)cc1[N+](=O)[O-] ZINC001217991794 1373528975 /nfs/dbraw/zinc/52/89/75/1373528975.db2.gz XUYKUWKAAVTHQJ-PRHODGIISA-N 1 0 347.184 3.263 20 5 EGBDRO C[C@H]1C[NH2+]CCC[C@H]1Oc1cccc(Br)c1[N+](=O)[O-] ZINC001217994386 1373529306 /nfs/dbraw/zinc/52/93/06/1373529306.db2.gz SGUFVTCCFDVDAB-GXSJLCMTSA-N 1 0 329.194 3.124 20 5 EGBDRO C[C@@H](Oc1cc([N+](=O)[O-])cc(F)c1Br)C1CC[NH2+]CC1 ZINC001218008618 1373535649 /nfs/dbraw/zinc/53/56/49/1373535649.db2.gz GCHOAUGUCGEIAC-MRVPVSSYSA-N 1 0 347.184 3.263 20 5 EGBDRO C[C@H]1CC[NH2+]CC[C@@H]1Oc1c(F)cc([N+](=O)[O-])cc1Br ZINC001218028080 1373542135 /nfs/dbraw/zinc/54/21/35/1373542135.db2.gz CKJLUGRAEONEPB-UFBFGSQYSA-N 1 0 347.184 3.263 20 5 EGBDRO Cc1cc(Br)cc([N+](=O)[O-])c1O[C@H]1CC[NH2+]CC[C@H]1C ZINC001218031664 1373543497 /nfs/dbraw/zinc/54/34/97/1373543497.db2.gz RENNSAVZFCVGDS-RNCFNFMXSA-N 1 0 343.221 3.433 20 5 EGBDRO O=[N+]([O-])c1ccc(Br)cc1O[C@@H]1CCC[C@@]12CC[NH2+]C2 ZINC001218092060 1373558221 /nfs/dbraw/zinc/55/82/21/1373558221.db2.gz QKDDPCAHZZFJPB-KGLIPLIRSA-N 1 0 341.205 3.268 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2ccc(O[C@H]3CSC4(C[NH2+]C4)C3)cc2)c1 ZINC001218099806 1373560807 /nfs/dbraw/zinc/56/08/07/1373560807.db2.gz IYUHPROAZUDMCF-QGZVFWFLSA-N 1 0 342.420 3.488 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCCCC2)cc1O[C@@H]1CC[C@@]12CC[NH2+]C2 ZINC001218121636 1373564751 /nfs/dbraw/zinc/56/47/51/1373564751.db2.gz BQGMLXJTXBTHND-MSOLQXFVSA-N 1 0 331.416 3.106 20 5 EGBDRO O=[N+]([O-])c1ccc(O[C@@H]2CCC[C@@H]3C[NH2+]C[C@@H]32)cc1Br ZINC001218147248 1373569135 /nfs/dbraw/zinc/56/91/35/1373569135.db2.gz UEHQSBRFXLITMW-OLUVUFQESA-N 1 0 341.205 3.124 20 5 EGBDRO O=[N+]([O-])c1cc(OC(F)(F)F)ccc1OC1CC2(C1)CCC[NH2+]C2 ZINC001218253494 1373584812 /nfs/dbraw/zinc/58/48/12/1373584812.db2.gz IOTRISCRLAYESW-UHFFFAOYSA-N 1 0 346.305 3.404 20 5 EGBDRO CC1(C)C[NH2+]CC[C@H]1Oc1cc([N+](=O)[O-])cc(F)c1Br ZINC001218315334 1373593586 /nfs/dbraw/zinc/59/35/86/1373593586.db2.gz GCABISSMFVASFC-LLVKDONJSA-N 1 0 347.184 3.263 20 5 EGBDRO C[C@H]1CC[C@@H](Oc2cc([N+](=O)[O-])c(Br)cc2F)C[NH2+]1 ZINC001218406885 1373608651 /nfs/dbraw/zinc/60/86/51/1373608651.db2.gz OLFLDANNEHSTQG-JGVFFNPUSA-N 1 0 333.157 3.016 20 5 EGBDRO Cc1cc(Br)c(O[C@H]2C[NH2+]CC[C@H]2C)cc1[N+](=O)[O-] ZINC001218484094 1373623436 /nfs/dbraw/zinc/62/34/36/1373623436.db2.gz NNGRYZGRAQEIGQ-OQPBUACISA-N 1 0 329.194 3.043 20 5 EGBDRO Cc1cc(Cl)cc(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)c1 ZINC001131362936 1373683768 /nfs/dbraw/zinc/68/37/68/1373683768.db2.gz RRWBFVUYWNNHAC-UHFFFAOYSA-N 1 0 347.802 3.076 20 5 EGBDRO CC(C)(C)[NH+]1CCC(OCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001224098917 1375054097 /nfs/dbraw/zinc/05/40/97/1375054097.db2.gz BRFXRAKMICGCAB-UHFFFAOYSA-N 1 0 337.376 3.283 20 5 EGBDRO O=[N+]([O-])c1ncccc1O[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC001225630843 1375136022 /nfs/dbraw/zinc/13/60/22/1375136022.db2.gz AJZVKHOTLVFPJS-BRWVUGGUSA-N 1 0 339.395 3.279 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)cnc1OC1CCN(c2cc[nH+]cc2)CC1 ZINC001226129532 1375207909 /nfs/dbraw/zinc/20/79/09/1375207909.db2.gz DWPVMRDVKNCPMC-UHFFFAOYSA-N 1 0 334.763 3.086 20 5 EGBDRO C[C@H](C[N+](C)(C)C)Oc1cc(=O)oc2ccc(Br)cc12 ZINC001227368922 1375423574 /nfs/dbraw/zinc/42/35/74/1375423574.db2.gz LURRBKNILAMWNP-SNVBAGLBSA-N 1 0 341.225 3.029 20 5 EGBDRO C[NH+]1CCC2(CC[C@H](COc3ccc(Cl)c([N+](=O)[O-])c3)O2)CC1 ZINC001229962307 1375923422 /nfs/dbraw/zinc/92/34/22/1375923422.db2.gz UWTXUIIVIYWSGF-CYBMUJFWSA-N 1 0 340.807 3.270 20 5 EGBDRO O=[N+]([O-])c1cccc([N+](=O)[O-])c1O[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001230311921 1375993071 /nfs/dbraw/zinc/99/30/71/1375993071.db2.gz BLMIRHBMQVOTLF-AWEZNQCLSA-N 1 0 343.339 3.156 20 5 EGBDRO C[N@H+](CCCNC(=O)CC1CCCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001231379025 1376233497 /nfs/dbraw/zinc/23/34/97/1376233497.db2.gz LOPJKZVDOJDWHR-UHFFFAOYSA-N 1 0 333.432 3.113 20 5 EGBDRO Cc1cc2cc3ccc(N(C)C)cc3nc2cc1NC(=O)C1C[NH+](C)C1 ZINC001142598772 1378463451 /nfs/dbraw/zinc/46/34/51/1378463451.db2.gz FCADPVOYJKCUKQ-UHFFFAOYSA-N 1 0 348.450 3.263 20 5 EGBDRO C[NH+]1CCC(CC(=O)Nc2cc3cccnc3c3ncccc23)CC1 ZINC001143359726 1378587113 /nfs/dbraw/zinc/58/71/13/1378587113.db2.gz VMTFCBWLJMIEBV-UHFFFAOYSA-N 1 0 334.423 3.453 20 5 EGBDRO CC(C)c1cccc(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)c1 ZINC001146622852 1378879416 /nfs/dbraw/zinc/87/94/16/1378879416.db2.gz BIYDDNZRUDXNQE-UHFFFAOYSA-N 1 0 341.411 3.238 20 5 EGBDRO Cc1cc(C)c(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])c(C)c1 ZINC001150163521 1379506024 /nfs/dbraw/zinc/50/60/24/1379506024.db2.gz CJYPOQZEBPILJL-UHFFFAOYSA-N 1 0 341.411 3.040 20 5 EGBDRO CCCCCC(C)(C)C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001151862969 1379802390 /nfs/dbraw/zinc/80/23/90/1379802390.db2.gz BAFCJXBNTHMUJN-UHFFFAOYSA-N 1 0 335.448 3.407 20 5 EGBDRO Cc1cc(NC[C@H]2CCC[NH2+]C[C@@H]2C)nc2ccc([N+](=O)[O-])cc12 ZINC001155023605 1380393247 /nfs/dbraw/zinc/39/32/47/1380393247.db2.gz FEGWTGYDYVWSOS-UONOGXRCSA-N 1 0 328.416 3.499 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)c(Cl)nc1NC[C@@]1(F)CCCC[NH2+]C1 ZINC001155115695 1380411746 /nfs/dbraw/zinc/41/17/46/1380411746.db2.gz SVBQDHQKIGLWRH-GFCCVEGCSA-N 1 0 337.182 3.190 20 5 EGBDRO CC1(C)CC([NH3+])CC(C)(C)N1c1cnc2cc([N+](=O)[O-])ccc2n1 ZINC001156771378 1380632200 /nfs/dbraw/zinc/63/22/00/1380632200.db2.gz UYZSJTXIXJDOLE-UHFFFAOYSA-N 1 0 329.404 3.023 20 5 EGBDRO C[C@@H]1CCCC[N@@H+]1CCCNc1cnc2ccc([N+](=O)[O-])cc2n1 ZINC001156928939 1380731481 /nfs/dbraw/zinc/73/14/81/1380731481.db2.gz PNVXZELTHDTTDG-CYBMUJFWSA-N 1 0 329.404 3.214 20 5 EGBDRO [NH3+]CCc1cn(-c2ncc([N+](=O)[O-])c3ccccc32)c2ccc(O)cc12 ZINC001157218435 1380814574 /nfs/dbraw/zinc/81/45/74/1380814574.db2.gz QKGGZJSUOMUGPT-UHFFFAOYSA-N 1 0 348.362 3.294 20 5 EGBDRO C[N@@H+]1CCC[C@H]2CN(c3cc(Cl)nc4ccc([N+](=O)[O-])cc43)C[C@H]21 ZINC001157272937 1380828831 /nfs/dbraw/zinc/82/88/31/1380828831.db2.gz SVIFJWFSIDGNNS-MEDUHNTESA-N 1 0 346.818 3.327 20 5 EGBDRO Cc1c(C)c(N(Cc2ccccc2)[C@H]2CCC[NH2+]C2)ncc1[N+](=O)[O-] ZINC001157434941 1380893345 /nfs/dbraw/zinc/89/33/45/1380893345.db2.gz OTRJQUKKGGPTSI-KRWDZBQOSA-N 1 0 340.427 3.365 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(N(C)CC[N@H+](C)Cc2ccccc2)n1 ZINC001157553528 1380962991 /nfs/dbraw/zinc/96/29/91/1380962991.db2.gz AKNDKEPAFAOMFL-UHFFFAOYSA-N 1 0 328.416 3.175 20 5 EGBDRO C[C@H]1[C@@H]([NH3+])CCCN1c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC001157748110 1381020603 /nfs/dbraw/zinc/02/06/03/1381020603.db2.gz SOOVWQPJJWGPQT-FZMZJTMJSA-N 1 0 330.363 3.112 20 5 EGBDRO CC(C)N(c1ccc2c(ccc(Cl)c2[N+](=O)[O-])n1)[C@H]1CC[NH2+]C1 ZINC001158025834 1381106291 /nfs/dbraw/zinc/10/62/91/1381106291.db2.gz POSDPEDXDGKETA-NSHDSACASA-N 1 0 334.807 3.373 20 5 EGBDRO CC1(C)C[C@@H](Nc2ncnc3cc([N+](=O)[O-])ccc32)C[C@](C)(C[NH3+])C1 ZINC001158264512 1381177698 /nfs/dbraw/zinc/17/76/98/1381177698.db2.gz CFRARVIDCRRQSJ-XIKOKIGWSA-N 1 0 343.431 3.494 20 5 EGBDRO COc1cc(C)nc(N[C@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)c1[N+](=O)[O-] ZINC001158269132 1381179421 /nfs/dbraw/zinc/17/94/21/1381179421.db2.gz QVXDBJMPHSRINO-YVEFUNNKSA-N 1 0 336.436 3.262 20 5 EGBDRO C[N@@H+]1CCN(c2nc(Cl)cc(Cl)c2[N+](=O)[O-])C2(CCCC2)C1 ZINC001158408899 1381234025 /nfs/dbraw/zinc/23/40/25/1381234025.db2.gz QJJIYPSUUOJPLG-UHFFFAOYSA-N 1 0 345.230 3.361 20 5 EGBDRO Cc1c(Nc2ccc3c(c2)CC[NH2+]CC3)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001159682406 1381865412 /nfs/dbraw/zinc/86/54/12/1381865412.db2.gz WJAUKVFJJLJEOP-UHFFFAOYSA-N 1 0 342.355 3.243 20 5 EGBDRO Cc1ccc(N(c2ccccc2N)C2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC001159901742 1381932526 /nfs/dbraw/zinc/93/25/26/1381932526.db2.gz RBLAKLHHLLTVIL-UHFFFAOYSA-N 1 0 326.400 3.376 20 5 EGBDRO Nc1ccc(Nc2ccc(CC3CC[NH2+]CC3)cc2)cc1[N+](=O)[O-] ZINC001160014833 1381969324 /nfs/dbraw/zinc/96/93/24/1381969324.db2.gz OOICXKOLLBXDDA-UHFFFAOYSA-N 1 0 326.400 3.463 20 5 EGBDRO O=[N+]([O-])c1ccc(F)c(Nc2ccccc2O[C@@H]2CC[NH2+]C2)c1F ZINC001160171403 1382024020 /nfs/dbraw/zinc/02/40/20/1382024020.db2.gz HELMFJMUJCYJBI-SNVBAGLBSA-N 1 0 335.310 3.357 20 5 EGBDRO [NH3+]C[C@@H]1COc2ccccc2N1c1nccc2ccc([N+](=O)[O-])cc21 ZINC001160200543 1382031924 /nfs/dbraw/zinc/03/19/24/1382031924.db2.gz NXFYLXJABKNIMA-CQSZACIVSA-N 1 0 336.351 3.001 20 5 EGBDRO O=[N+]([O-])c1cc(O)cc(Nc2cccc(O[C@@H]3CCC[NH2+]C3)c2)c1 ZINC001160218311 1382037227 /nfs/dbraw/zinc/03/72/27/1382037227.db2.gz CUDHNSAWYWBGDE-QGZVFWFLSA-N 1 0 329.356 3.175 20 5 EGBDRO [NH3+]Cc1ccccc1CNc1nc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001160907491 1382229942 /nfs/dbraw/zinc/22/99/42/1382229942.db2.gz STXJAEBPQJBLAT-UHFFFAOYSA-N 1 0 327.171 3.367 20 5 EGBDRO Cc1ccccc1CNc1ccc([N+](=O)[O-])c(OCC[NH+](C)C)c1 ZINC001161623662 1382463037 /nfs/dbraw/zinc/46/30/37/1382463037.db2.gz HLLWDSDODYVSAC-UHFFFAOYSA-N 1 0 329.400 3.456 20 5 EGBDRO Cc1cnc(-n2cc(CC[NH3+])c3c2cccc3Cl)c([N+](=O)[O-])c1 ZINC001162654168 1382822821 /nfs/dbraw/zinc/82/28/21/1382822821.db2.gz PWAULAJBELTEDI-UHFFFAOYSA-N 1 0 330.775 3.397 20 5 EGBDRO [NH3+][C@@H]1Cc2ccccc2N(c2ccc(-c3cccc([N+](=O)[O-])c3)nn2)C1 ZINC001162847067 1382893319 /nfs/dbraw/zinc/89/33/19/1382893319.db2.gz HDHUAADDJRSVDE-OAHLLOKOSA-N 1 0 347.378 3.073 20 5 EGBDRO O=[N+]([O-])c1cc(NC[C@H]2CCC3(CC[NH2+]CC3)CO2)cc2cc[nH]c21 ZINC001162965651 1382929569 /nfs/dbraw/zinc/92/95/69/1382929569.db2.gz LHIYANDSPHBLNE-OAHLLOKOSA-N 1 0 344.415 3.037 20 5 EGBDRO O=[N+]([O-])c1cc2cc[nH]c2c(NC[C@@H]2CCC3(CC[NH2+]CC3)CO2)c1 ZINC001162966047 1382930429 /nfs/dbraw/zinc/93/04/29/1382930429.db2.gz PMWKRQUNQCDQDU-HNNXBMFYSA-N 1 0 344.415 3.037 20 5 EGBDRO CC(C)(C)OC(=O)c1ccc(N[C@@]23CCC[C@@H]2[NH2+]CC3)cc1[N+](=O)[O-] ZINC001162982670 1382936431 /nfs/dbraw/zinc/93/64/31/1382936431.db2.gz HBYMEKSAAZEAHZ-MAUKXSAKSA-N 1 0 347.415 3.247 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(NC[C@@H]2Cc3ccccc3C[NH2+]2)nc1Cl ZINC001163271927 1383009898 /nfs/dbraw/zinc/00/98/98/1383009898.db2.gz LELAKCGLTCYORM-ZDUSSCGKSA-N 1 0 332.791 3.078 20 5 EGBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N[C@H]2CC[N@@H+](C(C)C)C[C@@H]2C)n1 ZINC001163365372 1383032146 /nfs/dbraw/zinc/03/21/46/1383032146.db2.gz ZHBKFWMTWNSWBA-GWCFXTLKSA-N 1 0 326.828 3.482 20 5 EGBDRO COc1nc(C)c(-n2c(C)c(C)c3cc(C[NH3+])ccc32)cc1[N+](=O)[O-] ZINC001163761693 1383119162 /nfs/dbraw/zinc/11/91/62/1383119162.db2.gz TUQMVAWSYAALRK-UHFFFAOYSA-N 1 0 340.383 3.326 20 5 EGBDRO COc1ccc([N+](=O)[O-])nc1-n1c(C[NH3+])cc2cc(Cl)ccc21 ZINC001163898919 1383133880 /nfs/dbraw/zinc/13/38/80/1383133880.db2.gz ZNJPLJSPQQRLAV-UHFFFAOYSA-N 1 0 332.747 3.054 20 5 EGBDRO O=C(C=C1CCC1)NCCC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001164037027 1383149156 /nfs/dbraw/zinc/14/91/56/1383149156.db2.gz SBCTWAGLZNUTCN-UHFFFAOYSA-N 1 0 343.427 3.081 20 5 EGBDRO [NH3+]CC1(F)CCN(c2ccc3c(ccc(Cl)c3[N+](=O)[O-])n2)CC1 ZINC001165262727 1383260830 /nfs/dbraw/zinc/26/08/30/1383260830.db2.gz HHZHIPMKYMTKHQ-UHFFFAOYSA-N 1 0 338.770 3.064 20 5 EGBDRO O=[N+]([O-])c1cccc2ccc(N3CCCCC34CC[NH2+]CC4)nc21 ZINC001165335982 1383276833 /nfs/dbraw/zinc/27/68/33/1383276833.db2.gz ZNVRCIONYTVANB-UHFFFAOYSA-N 1 0 326.400 3.256 20 5 EGBDRO COc1cc([N+](=O)[O-])c(NCC2C[NH+](Cc3ccccc3)C2)cc1F ZINC001165455521 1383298486 /nfs/dbraw/zinc/29/84/86/1383298486.db2.gz ZZCWMFZRLDHSBV-UHFFFAOYSA-N 1 0 345.374 3.286 20 5 EGBDRO CCOC(=O)c1ccc(NCC2CC[NH+](C(C)C)CC2)c([N+](=O)[O-])c1 ZINC001166622821 1383448857 /nfs/dbraw/zinc/44/88/57/1383448857.db2.gz GXGRFAMJBQKERP-UHFFFAOYSA-N 1 0 349.431 3.304 20 5 EGBDRO COc1ccc(NC[C@@H](c2ccccc2)[NH+]2CCCC2)nc1[N+](=O)[O-] ZINC001166866126 1383489945 /nfs/dbraw/zinc/48/99/45/1383489945.db2.gz WYRAKWLDQITMOS-HNNXBMFYSA-N 1 0 342.399 3.247 20 5 EGBDRO O=[N+]([O-])c1cccc2nc(N3CCC([C@H]4CCC[NH2+]4)CC3)ccc21 ZINC001166902846 1383496699 /nfs/dbraw/zinc/49/66/99/1383496699.db2.gz LUVCOUKJYXWKPP-OAHLLOKOSA-N 1 0 326.400 3.111 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)cc(N2CC3(CC[NH2+]CC3)c3ccccc32)n1 ZINC001167068585 1383532282 /nfs/dbraw/zinc/53/22/82/1383532282.db2.gz BZIIXOMRLBPMEU-UHFFFAOYSA-N 1 0 344.802 3.416 20 5 EGBDRO CC(C)CCCC(=O)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001167222891 1383569773 /nfs/dbraw/zinc/56/97/73/1383569773.db2.gz RPWMFUISPWLRMF-UHFFFAOYSA-N 1 0 327.450 3.079 20 5 EGBDRO [NH3+]Cc1cnc2c(ccn2-c2nc(-c3ccccc3)ccc2[N+](=O)[O-])c1 ZINC001167304873 1383590173 /nfs/dbraw/zinc/59/01/73/1383590173.db2.gz BLOHYXXDCHXVCH-UHFFFAOYSA-N 1 0 345.362 3.454 20 5 EGBDRO [NH3+]Cc1cnc2c(ccn2-c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1 ZINC001167311465 1383592888 /nfs/dbraw/zinc/59/28/88/1383592888.db2.gz MRSXHFJJVPVNLS-UHFFFAOYSA-N 1 0 336.273 3.411 20 5 EGBDRO [NH3+]Cc1nn(-c2ccc3cc(F)cc([N+](=O)[O-])c3n2)c2ccccc12 ZINC001167697468 1383714132 /nfs/dbraw/zinc/71/41/32/1383714132.db2.gz AQDFYMSXAGQISL-UHFFFAOYSA-N 1 0 337.314 3.080 20 5 EGBDRO C[NH2+]CCNc1ncc(C(F)(F)F)cc1-c1cccc([N+](=O)[O-])c1 ZINC001167723731 1383723171 /nfs/dbraw/zinc/72/31/71/1383723171.db2.gz GDBFTYOFYJYQDV-UHFFFAOYSA-N 1 0 340.305 3.307 20 5 EGBDRO COc1c(F)cc(N2C[C@@H](CC[NH3+])c3ccccc32)cc1[N+](=O)[O-] ZINC001168547850 1383934788 /nfs/dbraw/zinc/93/47/88/1383934788.db2.gz AGRXLZPEGRVSPW-LLVKDONJSA-N 1 0 331.347 3.327 20 5 EGBDRO [NH3+]CC[C@H]1CN(c2ccc3nsnc3c2[N+](=O)[O-])c2ccccc21 ZINC001168549210 1383934794 /nfs/dbraw/zinc/93/47/94/1383934794.db2.gz MDFFLXBCMRJAFH-JTQLQIEISA-N 1 0 341.396 3.184 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H]2CCc3ccc(Br)cc32)C1 ZINC001168963942 1384072645 /nfs/dbraw/zinc/07/26/45/1384072645.db2.gz QSJXYVFLOOUOBZ-RIEGTJTDSA-N 1 0 339.233 3.471 20 5 EGBDRO COc1ccc(OC(F)(F)F)cc1C[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168970906 1384074570 /nfs/dbraw/zinc/07/45/70/1384074570.db2.gz JGQQENFWNUFPPU-PWSUYJOCSA-N 1 0 348.321 3.129 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2cc(F)ccc2Br)C1 ZINC001168975822 1384076772 /nfs/dbraw/zinc/07/67/72/1384076772.db2.gz XJNVSTTYPVYMDE-BXKDBHETSA-N 1 0 331.185 3.123 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C2(c3cccc(Br)c3)CC2)C1 ZINC001168980709 1384077355 /nfs/dbraw/zinc/07/73/55/1384077355.db2.gz FXDRTVQCJAEQLB-BXUZGUMPSA-N 1 0 339.233 3.473 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+][C@@H]2CCc3cc(Br)ccc32)C1 ZINC001168985225 1384079161 /nfs/dbraw/zinc/07/91/61/1384079161.db2.gz RTFJXVJVXQWFMS-VZJVUDMVSA-N 1 0 339.233 3.471 20 5 EGBDRO Cc1cc(Br)cc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001168986850 1384080344 /nfs/dbraw/zinc/08/03/44/1384080344.db2.gz FMZZASNYCUDRAG-BXUZGUMPSA-N 1 0 327.222 3.293 20 5 EGBDRO O=C1CCCCCN1c1cccc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001168991474 1384081268 /nfs/dbraw/zinc/08/12/68/1384081268.db2.gz HFPMHVRZQHVYEJ-IRXDYDNUSA-N 1 0 345.443 3.129 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2cncn2Cc2ccc(Cl)cc2)C1 ZINC001168996104 1384082328 /nfs/dbraw/zinc/08/23/28/1384082328.db2.gz VGTODPBHXKAEDB-HOCLYGCPSA-N 1 0 348.834 3.120 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CC2(Cc3ccccc3)CCOCC2)C1 ZINC001168998196 1384083127 /nfs/dbraw/zinc/08/31/27/1384083127.db2.gz JMPYNLAQRCLCSE-QZTJIDSGSA-N 1 0 332.444 3.061 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C2(c3ccc(Cl)cc3)CCOCC2)C1 ZINC001168998261 1384083141 /nfs/dbraw/zinc/08/31/41/1384083141.db2.gz KOICPZVCCQOVIO-CZUORRHYSA-N 1 0 338.835 3.381 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2cn(Cc3ccccc3Cl)cn2)C1 ZINC001168998090 1384083144 /nfs/dbraw/zinc/08/31/44/1384083144.db2.gz IBUINHIVDAKZRN-ZFWWWQNUSA-N 1 0 348.834 3.120 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CCc2ccsc2Br)C1 ZINC001169001005 1384083622 /nfs/dbraw/zinc/08/36/22/1384083622.db2.gz CEAMJRQIGNDQPN-KOLCDFICSA-N 1 0 333.251 3.088 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+][C@@H](CO)c2ccc(Cl)c(Cl)c2)C1 ZINC001169000744 1384083885 /nfs/dbraw/zinc/08/38/85/1384083885.db2.gz BGCJFUJVLWFZPC-CHIMOYNISA-N 1 0 333.215 3.062 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2Cc3ccc(Br)cc3C2)C1 ZINC001169009113 1384087039 /nfs/dbraw/zinc/08/70/39/1384087039.db2.gz VOWFPROVHQVXCO-YGRLFVJLSA-N 1 0 325.206 3.210 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2Cc3ccc(Br)cc3C2)C1 ZINC001169009112 1384087758 /nfs/dbraw/zinc/08/77/58/1384087758.db2.gz VOWFPROVHQVXCO-QMTHXVAHSA-N 1 0 325.206 3.210 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2CCc3cc(Br)ccc3C2)C1 ZINC001169010272 1384088344 /nfs/dbraw/zinc/08/83/44/1384088344.db2.gz CBNKNSZJWPOCHV-NHYWBVRUSA-N 1 0 339.233 3.253 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCc3cccc(Br)c3C2)C1 ZINC001169011346 1384088987 /nfs/dbraw/zinc/08/89/87/1384088987.db2.gz JZHDSXHYFDFCHV-YPMHNXCESA-N 1 0 339.233 3.253 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCC3(C[C@H](c4ccccc4)CO3)CC2)C1 ZINC001169025679 1384092291 /nfs/dbraw/zinc/09/22/91/1384092291.db2.gz UCFARFSYXAYJCE-NEWSRXKRSA-N 1 0 344.455 3.471 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCC(COc3ccc(F)cc3)CC2)C1 ZINC001169039934 1384098109 /nfs/dbraw/zinc/09/81/09/1384098109.db2.gz VZLVPBAPGOBPMP-DOTOQJQBSA-N 1 0 336.407 3.362 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCC3(CCc4ccccc4O3)CC2)C1 ZINC001169038819 1384098203 /nfs/dbraw/zinc/09/82/03/1384098203.db2.gz KQGIRJQSIPLTQK-NVXWUHKLSA-N 1 0 330.428 3.292 20 5 EGBDRO COC(=O)c1ccc([C@H]2CCCC[N@@H+]2[C@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001169048738 1384100809 /nfs/dbraw/zinc/10/08/09/1384100809.db2.gz BFBPADJPWDQOKN-JCGIZDLHSA-N 1 0 346.427 3.446 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCC(n3cnc4ccccc43)CC2)C1 ZINC001169055335 1384101438 /nfs/dbraw/zinc/10/14/38/1384101438.db2.gz PRTOLULGMVEBMA-HOCLYGCPSA-N 1 0 328.416 3.119 20 5 EGBDRO COc1cccc([C@@H]2CSCC[N@@H+]2[C@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001169056832 1384101821 /nfs/dbraw/zinc/10/18/21/1384101821.db2.gz SYYIHFMKNLPCOK-QRTARXTBSA-N 1 0 336.457 3.231 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2ccnc(Cl)c2)c([N+](=O)[O-])c1 ZINC001170299261 1384284902 /nfs/dbraw/zinc/28/49/02/1384284902.db2.gz UFCZMDASMDIPQI-LLVKDONJSA-N 1 0 335.791 3.373 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H]2COc3ccccc32)c([N+](=O)[O-])c1 ZINC001170305625 1384287009 /nfs/dbraw/zinc/28/70/09/1384287009.db2.gz OFKREEIMENRPCA-MLGOLLRUSA-N 1 0 328.368 3.258 20 5 EGBDRO COc1ccc(C[C@H](C)n2cnc3ccc(C[NH3+])cc32)c([N+](=O)[O-])c1 ZINC001170306549 1384287073 /nfs/dbraw/zinc/28/70/73/1384287073.db2.gz XJNKPDCRFALZEU-LBPRGKRZSA-N 1 0 340.383 3.216 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+][C@H](C)c2ccc(N)cc2)c([N+](=O)[O-])c1 ZINC001170314422 1384288354 /nfs/dbraw/zinc/28/83/54/1384288354.db2.gz VIOIRNACQQIVFG-QWHCGFSZSA-N 1 0 329.400 3.467 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+]Cc2cn(C(C)C)cn2)c([N+](=O)[O-])c1 ZINC001170321350 1384290763 /nfs/dbraw/zinc/29/07/63/1384290763.db2.gz AQILHDDPYDFILK-ZDUSSCGKSA-N 1 0 332.404 3.102 20 5 EGBDRO COc1ccc(C[C@H](C)[N@@H+]2CCC3(C2)CCOCC3)c([N+](=O)[O-])c1 ZINC001170344577 1384295654 /nfs/dbraw/zinc/29/56/54/1384295654.db2.gz CHLMSLIVQXKOEA-AWEZNQCLSA-N 1 0 334.416 3.037 20 5 EGBDRO COc1ccc(C[C@H](C)[N@@H+]2CC[C@]3(CC3(F)F)C2)c([N+](=O)[O-])c1 ZINC001170345463 1384295843 /nfs/dbraw/zinc/29/58/43/1384295843.db2.gz LATIZESUNDFNRL-NHYWBVRUSA-N 1 0 326.343 3.266 20 5 EGBDRO COc1ccc(C[C@H](C)[N@@H+]2CCC[C@@H]2c2cnccn2)c([N+](=O)[O-])c1 ZINC001170348039 1384297503 /nfs/dbraw/zinc/29/75/03/1384297503.db2.gz VELSFQVLOHNWKY-SUMWQHHRSA-N 1 0 342.399 3.162 20 5 EGBDRO [NH3+][C@H]1CCc2c3ccccc3n(-c3ccc4ncc([N+](=O)[O-])n4c3)c2C1 ZINC001171095414 1384444991 /nfs/dbraw/zinc/44/49/91/1384444991.db2.gz TVQDMSQSQYRXPR-LBPRGKRZSA-N 1 0 347.378 3.002 20 5 EGBDRO COc1ncc([N+](=O)[O-])cc1-n1cc(C[C@H](C)[NH3+])c2ccc(C)cc21 ZINC001171170500 1384459743 /nfs/dbraw/zinc/45/97/43/1384459743.db2.gz XSHPVBANFRYSIG-LBPRGKRZSA-N 1 0 340.383 3.140 20 5 EGBDRO C[C@H]1CC[C@H](C(=O)NCCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001171661502 1384594370 /nfs/dbraw/zinc/59/43/70/1384594370.db2.gz LNQQIZUVNBMMGK-KOMQPUFPSA-N 1 0 333.432 3.017 20 5 EGBDRO Cc1ccc(C[NH3+])nc1N(C)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172895615 1384873490 /nfs/dbraw/zinc/87/34/90/1384873490.db2.gz GIJUYGYZLJLOCN-QGZVFWFLSA-N 1 0 340.427 3.141 20 5 EGBDRO [NH3+][C@H]1Cc2ccccc2N([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172895560 1384873727 /nfs/dbraw/zinc/87/37/27/1384873727.db2.gz FNFYNQAZLRPZET-ZWKOTPCHSA-N 1 0 337.423 3.232 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]C[C@H]1COc3cnccc31)CC2 ZINC001172905736 1384875522 /nfs/dbraw/zinc/87/55/22/1384875522.db2.gz KEGPINHISGTFJN-HOTGVXAUSA-N 1 0 339.395 3.003 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]Cc1cnc(Cl)cn1)CC2 ZINC001172905302 1384875532 /nfs/dbraw/zinc/87/55/32/1384875532.db2.gz ILKFBCMTLLKZDF-CYBMUJFWSA-N 1 0 332.791 3.075 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]C1CCC3(CC1)OCCO3)CC2 ZINC001172913241 1384876838 /nfs/dbraw/zinc/87/68/38/1384876838.db2.gz UYVYPANQFUYAQY-MRXNPFEDSA-N 1 0 346.427 3.118 20 5 EGBDRO COC(=O)CC[C@H]1CC[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172914800 1384877786 /nfs/dbraw/zinc/87/77/86/1384877786.db2.gz IYWQXPNLRKXGFI-YOEHRIQHSA-N 1 0 346.427 3.117 20 5 EGBDRO COC(=O)C[N@H+](C1CCCC1)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172919622 1384879217 /nfs/dbraw/zinc/87/92/17/1384879217.db2.gz GVFHMTLSCQWNEU-QGZVFWFLSA-N 1 0 346.427 3.260 20 5 EGBDRO C[C@@H]1CC[N@@H+](C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C1 ZINC001173009613 1384898008 /nfs/dbraw/zinc/89/80/08/1384898008.db2.gz FTDKGNMGKFOTKZ-LLVKDONJSA-N 1 0 325.359 3.184 20 5 EGBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH2+][C@H]3C[C@@H]3C3CC3)CC2)c(F)c1 ZINC001173013945 1384898118 /nfs/dbraw/zinc/89/81/18/1384898118.db2.gz IHICDNPSGUQRQT-CJNGLKHVSA-N 1 0 337.370 3.230 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CCc2cccc(O)c2)c1F ZINC001173176209 1384931634 /nfs/dbraw/zinc/93/16/34/1384931634.db2.gz GNZWVYSNXYRTJX-GFCCVEGCSA-N 1 0 348.374 3.211 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]Cc2ccc(O)cc2)c1F ZINC001173176434 1384931652 /nfs/dbraw/zinc/93/16/52/1384931652.db2.gz IYUOFHXBRSSGAE-LLVKDONJSA-N 1 0 334.347 3.169 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]Cc2ccc(O)cc2)c1F ZINC001173176441 1384931782 /nfs/dbraw/zinc/93/17/82/1384931782.db2.gz IYUOFHXBRSSGAE-NSHDSACASA-N 1 0 334.347 3.169 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH+]2CCC(CF)CC2)c1F ZINC001173189918 1384932965 /nfs/dbraw/zinc/93/29/65/1384932965.db2.gz OTSLSAGYOGUFIQ-NSHDSACASA-N 1 0 328.359 3.355 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001173213637 1384936948 /nfs/dbraw/zinc/93/69/48/1384936948.db2.gz JJJLZBSKMZUSED-YUELXQCFSA-N 1 0 349.431 3.171 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCN(Cc2ccccc2)C1 ZINC001173213933 1384937211 /nfs/dbraw/zinc/93/72/11/1384937211.db2.gz JJXSAKDEXQJXOU-QFBILLFUSA-N 1 0 339.439 3.390 20 5 EGBDRO Cc1ccc(C2([NH2+][C@@H](C)Cc3ccc([N+](=O)[O-])cc3)COC2)cc1 ZINC001173218914 1384937545 /nfs/dbraw/zinc/93/75/45/1384937545.db2.gz SZSYZIXALQGGCE-HNNXBMFYSA-N 1 0 326.396 3.350 20 5 EGBDRO CC(=O)Nc1cccc(C[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001173215111 1384937638 /nfs/dbraw/zinc/93/76/38/1384937638.db2.gz SHILECDBUPJJIA-ZDUSSCGKSA-N 1 0 327.384 3.274 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1C[C@@H](CC[NH3+])c2ccccc21 ZINC001173215997 1384937817 /nfs/dbraw/zinc/93/78/17/1384937817.db2.gz GVTUQQSHHCGBTB-GOEBONIOSA-N 1 0 325.412 3.478 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCN(CC2CCCC2)C1 ZINC001173221406 1384938417 /nfs/dbraw/zinc/93/84/17/1384938417.db2.gz MZVYFTMXDNLCQV-YJBOKZPZSA-N 1 0 331.460 3.380 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC[C@@](O)(C(F)(F)F)C1 ZINC001173222540 1384939133 /nfs/dbraw/zinc/93/91/33/1384939133.db2.gz SVFIXTFMGDCIJM-DOMZBBRYSA-N 1 0 346.349 3.305 20 5 EGBDRO CCOC(=O)[C@@H]1CCC[C@@H]([NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173224116 1384939214 /nfs/dbraw/zinc/93/92/14/1384939214.db2.gz MCTNJXVYWKMXKX-NUEKZKHPSA-N 1 0 334.416 3.237 20 5 EGBDRO Cc1nc([C@H]2CCC[N@@H+]([C@@H](C)Cc3ccc([N+](=O)[O-])cc3)C2)no1 ZINC001173223134 1384939279 /nfs/dbraw/zinc/93/92/79/1384939279.db2.gz YJMYWYAANNVIQY-WFASDCNBSA-N 1 0 330.388 3.097 20 5 EGBDRO CC(C)CC(=O)NC1CC[NH+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173225002 1384939293 /nfs/dbraw/zinc/93/92/93/1384939293.db2.gz ANADUIJJTCGURC-HNNXBMFYSA-N 1 0 347.459 3.153 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC[C@@H]1COc2ccccc2O1 ZINC001173227478 1384939825 /nfs/dbraw/zinc/93/98/25/1384939825.db2.gz FZDUOKMOZROZRI-WMLDXEAASA-N 1 0 342.395 3.346 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC1(c2ccc(F)cn2)CC1 ZINC001173230076 1384940633 /nfs/dbraw/zinc/94/06/33/1384940633.db2.gz QHUMCEAPFMSQLI-ZDUSSCGKSA-N 1 0 329.375 3.381 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC(=O)c1cc(F)cc(F)c1 ZINC001173229521 1384940750 /nfs/dbraw/zinc/94/07/50/1384940750.db2.gz VGYBCKVQIADRCI-LLVKDONJSA-N 1 0 334.322 3.277 20 5 EGBDRO Cc1ccc(O[C@H]2CC[N@@H+]([C@@H](C)Cc3ccc([N+](=O)[O-])cc3)C2)nc1 ZINC001173236815 1384942202 /nfs/dbraw/zinc/94/22/02/1384942202.db2.gz FIZGQHLIDUOCLQ-YJBOKZPZSA-N 1 0 341.411 3.383 20 5 EGBDRO CCCCOC(=O)[C@@H]1CC[N@@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173236842 1384942288 /nfs/dbraw/zinc/94/22/88/1384942288.db2.gz FNUQEABJSQTKPE-GDBMZVCRSA-N 1 0 334.416 3.191 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]([NH+]2CCCCC2)[C@@H](F)C1 ZINC001173238971 1384942912 /nfs/dbraw/zinc/94/29/12/1384942912.db2.gz YWTKNEICWFYSQY-AYOQOUSVSA-N 1 0 349.450 3.424 20 5 EGBDRO CCc1ccc(C(=O)NCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1 ZINC001175084790 1385192364 /nfs/dbraw/zinc/19/23/64/1385192364.db2.gz BWXXBMRFDYXMSE-UHFFFAOYSA-N 1 0 341.411 3.067 20 5 EGBDRO CC(C)c1occc1C(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001177234340 1385878820 /nfs/dbraw/zinc/87/88/20/1385878820.db2.gz JOJNEZIGRASSIR-UHFFFAOYSA-N 1 0 345.399 3.221 20 5 EGBDRO O=C(/C=C\C1CC1)NCCCCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001178112165 1386132209 /nfs/dbraw/zinc/13/22/09/1386132209.db2.gz TXVZZENZMXKPBS-QXMHVHEDSA-N 1 0 345.443 3.327 20 5 EGBDRO COc1cc(C[N@H+](C)[C@@H]2CC[C@@H](SC)C2)c([N+](=O)[O-])cc1OC ZINC001319718499 1386267356 /nfs/dbraw/zinc/26/73/56/1386267356.db2.gz PZGBNFVEOWKGDJ-CHWSQXEVSA-N 1 0 340.445 3.328 20 5 EGBDRO CS[C@@H]1CC[C@@H]([N@H+](C)Cn2nc(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC001319788291 1386296414 /nfs/dbraw/zinc/29/64/14/1386296414.db2.gz XOFUNMOAJPJZPG-TZMCWYRMSA-N 1 0 334.445 3.426 20 5 EGBDRO CC[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC001320038368 1386467616 /nfs/dbraw/zinc/46/76/16/1386467616.db2.gz QYKFWXVABOQCTN-AWEZNQCLSA-N 1 0 331.347 3.413 20 5 EGBDRO COC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC001321077471 1386802558 /nfs/dbraw/zinc/80/25/58/1386802558.db2.gz XMPYDJFAQGANGR-DZGCQCFKSA-N 1 0 344.367 3.286 20 5 EGBDRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2cc3nc4ccccc4nc3cc2N)C1 ZINC001181976408 1387085630 /nfs/dbraw/zinc/08/56/30/1387085630.db2.gz HTDWPQPPCWDKJJ-ZDUSSCGKSA-N 1 0 349.438 3.034 20 5 EGBDRO CC(C)[N@@H+]1CC[C@H](C(=O)n2c3ccccc3cc3c(=O)c(N)ccc2-3)C1 ZINC001181984113 1387087756 /nfs/dbraw/zinc/08/77/56/1387087756.db2.gz OCTRZKPSFQJNLR-HNNXBMFYSA-N 1 0 349.434 3.059 20 5 EGBDRO COc1c(O)ccc(C[NH2+]Cc2ccc3c(c2)CCC3)c1[N+](=O)[O-] ZINC001333669525 1390370288 /nfs/dbraw/zinc/37/02/88/1390370288.db2.gz XIRBZWWRCZHPRB-UHFFFAOYSA-N 1 0 328.368 3.088 20 5 EGBDRO Cc1nc(NC2CC[NH+](CC3CCCCC3)CC2)ncc1[N+](=O)[O-] ZINC001344112920 1390756630 /nfs/dbraw/zinc/75/66/30/1390756630.db2.gz IHSGLUAZWVWFRS-UHFFFAOYSA-N 1 0 333.436 3.150 20 5 EGBDRO O=[N+]([O-])c1c(N2CC[C@H]([NH+]3CC=CC3)C2)cccc1C(F)(F)F ZINC001353252802 1391974657 /nfs/dbraw/zinc/97/46/57/1391974657.db2.gz WQWBBCPEUAEMKD-NSHDSACASA-N 1 0 327.306 3.064 20 5 EGBDRO O=C(NC1(C[NH2+]Cc2csc([N+](=O)[O-])c2)CCCC1)C1=CCCC1 ZINC001753501992 1440423614 /nfs/dbraw/zinc/42/36/14/1440423614.db2.gz FRRVUVTYOKDYRB-UHFFFAOYSA-N 1 0 349.456 3.285 20 5 EGBDRO O=[N+]([O-])c1ccc2ccc(N3CC[NH+](C4CCCC4)CC3)nc2c1 ZINC001165027982 721854666 /nfs/dbraw/zinc/85/46/66/721854666.db2.gz FWRPYAUKPLDNNC-UHFFFAOYSA-N 1 0 326.400 3.208 20 5 EGBDRO O=[N+]([O-])c1ccc2c(ccnc2N2CC[NH+](C3CCCC3)CC2)c1 ZINC000450248545 721862049 /nfs/dbraw/zinc/86/20/49/721862049.db2.gz SGALCCVGKFFVFN-UHFFFAOYSA-N 1 0 326.400 3.208 20 5 EGBDRO C[NH+](C)[C@@H]1CCCN(c2cc(Cl)nc3ccc([N+](=O)[O-])cc32)C1 ZINC001165034958 721896268 /nfs/dbraw/zinc/89/62/68/721896268.db2.gz JHFXWVMNHJPGHC-GFCCVEGCSA-N 1 0 334.807 3.327 20 5 EGBDRO C[C@H](Nc1ccc([N+](=O)[O-])cc1Br)[C@@H]1CCC[NH2+]C1 ZINC000050164265 214047576 /nfs/dbraw/zinc/04/75/76/214047576.db2.gz UKCNIXFUAPQTQF-VHSXEESVSA-N 1 0 328.210 3.157 20 5 EGBDRO C[C@H](c1nc2ccccc2s1)N(C)CCn1cc([N+](=O)[O-])cn1 ZINC000174811305 231316888 /nfs/dbraw/zinc/31/68/88/231316888.db2.gz NAKKYFLBCDSDPK-LLVKDONJSA-N 1 0 331.401 3.094 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)N2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000178691105 232381638 /nfs/dbraw/zinc/38/16/38/232381638.db2.gz WRRLHLAZUCZUQK-CABCVRRESA-N 1 0 333.432 3.201 20 5 EGBDRO C[C@H]([NH2+]C(C)(C)CNC(=O)c1ccc([N+](=O)[O-])o1)c1ccccc1 ZINC000068386777 215303511 /nfs/dbraw/zinc/30/35/11/215303511.db2.gz LGZSNRRWXCNYSU-LBPRGKRZSA-N 1 0 331.372 3.047 20 5 EGBDRO Cc1ncc2c(n1)CC[C@H]([NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])C2 ZINC000371986063 168683658 /nfs/dbraw/zinc/68/36/58/168683658.db2.gz XGMYNCNDOSDSHH-GUYCJALGSA-N 1 0 340.427 3.161 20 5 EGBDRO Cc1cc(C(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)ccc1[N+](=O)[O-] ZINC000181632336 234260460 /nfs/dbraw/zinc/26/04/60/234260460.db2.gz DDHFKRCTYVHFKZ-ZBFHGGJFSA-N 1 0 345.443 3.286 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)N[C@H]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000181812139 234332445 /nfs/dbraw/zinc/33/24/45/234332445.db2.gz WAMLREUQFHGCEB-NOLJZWGESA-N 1 0 333.432 3.249 20 5 EGBDRO COc1ccc2oc([C@H](C)[NH2+]CCn3ccc([N+](=O)[O-])n3)c(C)c2c1 ZINC000184324377 235367393 /nfs/dbraw/zinc/36/73/93/235367393.db2.gz KLWIUDSCVMSCIO-LBPRGKRZSA-N 1 0 344.371 3.205 20 5 EGBDRO C[C@]1(O)CCCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000129409918 223052981 /nfs/dbraw/zinc/05/29/81/223052981.db2.gz QTEONPPNKJOYKP-INIZCTEOSA-N 1 0 333.413 3.065 20 5 EGBDRO O=[N+]([O-])c1cccc(C[N@H+](CC2CCC3(CC2)OCCO3)C2CC2)c1 ZINC000190285748 238358069 /nfs/dbraw/zinc/35/80/69/238358069.db2.gz WMTRGSLLOUCANX-UHFFFAOYSA-N 1 0 346.427 3.493 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000072693593 216294027 /nfs/dbraw/zinc/29/40/27/216294027.db2.gz PCFQWQQCKQXKJN-PBHICJAKSA-N 1 0 331.416 3.496 20 5 EGBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CCc1cccs1 ZINC000072800977 216308106 /nfs/dbraw/zinc/30/81/06/216308106.db2.gz QFDOEWLAYWBTEE-UHFFFAOYSA-N 1 0 333.413 3.159 20 5 EGBDRO C[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000194005572 240398240 /nfs/dbraw/zinc/39/82/40/240398240.db2.gz ISEWBKIBFRUKGH-JQWIXIFHSA-N 1 0 325.796 3.355 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCc2ccsc2C1 ZINC000132881380 223370807 /nfs/dbraw/zinc/37/08/07/223370807.db2.gz OTLJJTHQQNPFSR-UHFFFAOYSA-N 1 0 345.424 3.352 20 5 EGBDRO CC(C)c1ccc([C@@H]([NH3+])CNC(=O)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000236720844 242333298 /nfs/dbraw/zinc/33/32/98/242333298.db2.gz FNZWEQNPHFPPKI-SFHVURJKSA-N 1 0 341.411 3.077 20 5 EGBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000081364345 217388871 /nfs/dbraw/zinc/38/88/71/217388871.db2.gz FNIQEKMGLDZRDA-LBPRGKRZSA-N 1 0 339.823 3.052 20 5 EGBDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000266209179 248174375 /nfs/dbraw/zinc/17/43/75/248174375.db2.gz XJEKGJFEVHFBNZ-CQSZACIVSA-N 1 0 345.399 3.287 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCCCC[NH+]2CCC(C)CC2)c1 ZINC000266116089 248108146 /nfs/dbraw/zinc/10/81/46/248108146.db2.gz VGSNNUKKBWGKQW-UHFFFAOYSA-N 1 0 333.432 3.145 20 5 EGBDRO Cc1nn(C)c(N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000267524485 251127525 /nfs/dbraw/zinc/12/75/25/251127525.db2.gz RIDKKVARTNRCKS-BBRMVZONSA-N 1 0 343.431 3.102 20 5 EGBDRO C[N@@H+]1CCCC[C@H]1CCN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000268540924 252007243 /nfs/dbraw/zinc/00/72/43/252007243.db2.gz KWRLTHKBTWWYKK-INIZCTEOSA-N 1 0 347.459 3.312 20 5 EGBDRO COc1ccc(C[NH2+][C@H](C)c2ccc3c(c2)COC3)cc1[N+](=O)[O-] ZINC000268790457 252242269 /nfs/dbraw/zinc/24/22/69/252242269.db2.gz BUFZYCAAZXNWOW-GFCCVEGCSA-N 1 0 328.368 3.484 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCc1ccc(O)cc1)C1CC1 ZINC000268833874 252282938 /nfs/dbraw/zinc/28/29/38/252282938.db2.gz XILZSJKODYSIRI-GOSISDBHSA-N 1 0 326.396 3.454 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000161885424 285091929 /nfs/dbraw/zinc/09/19/29/285091929.db2.gz VXEKDWSLHXMFFT-BXUZGUMPSA-N 1 0 336.823 3.096 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+](CCC(F)(F)F)CC2CC2)c1 ZINC000154429873 224252242 /nfs/dbraw/zinc/25/22/42/224252242.db2.gz UGLIFQHFVLTEQH-AWEZNQCLSA-N 1 0 332.322 3.293 20 5 EGBDRO C[C@@H]1CCCC[C@@H]1[N@H+](C)CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000117334875 221055687 /nfs/dbraw/zinc/05/56/87/221055687.db2.gz JMHGIVSOBNDFSJ-HIFRSBDPSA-N 1 0 347.415 3.403 20 5 EGBDRO Cc1c(C[N@H+]2CCC[C@@H](c3nncn3C(C)C)C2)cccc1[N+](=O)[O-] ZINC000118860860 221199180 /nfs/dbraw/zinc/19/91/80/221199180.db2.gz ADCRJZSZRXLJKU-MRXNPFEDSA-N 1 0 343.431 3.455 20 5 EGBDRO COCCOc1ccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000178644145 533243455 /nfs/dbraw/zinc/24/34/55/533243455.db2.gz OCHWDDUHEXGMFI-AWEZNQCLSA-N 1 0 330.384 3.471 20 5 EGBDRO C[C@@H]([NH2+]CCCS(=O)(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000178651077 533388091 /nfs/dbraw/zinc/38/80/91/533388091.db2.gz GXNADKLGTMVXBU-CQSZACIVSA-N 1 0 348.424 3.109 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccc(NC(N)=O)cc1 ZINC000344844793 533408605 /nfs/dbraw/zinc/40/86/05/533408605.db2.gz CLIOFFIQIQRUAC-UKTHLTGXSA-N 1 0 340.383 3.279 20 5 EGBDRO Cc1cc(NC(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000338357490 141106562 /nfs/dbraw/zinc/10/65/62/141106562.db2.gz OVLPWNJQDMVFEF-ZIAGYGMSSA-N 1 0 334.420 3.288 20 5 EGBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000346212352 141181682 /nfs/dbraw/zinc/18/16/82/141181682.db2.gz WYSMVZIFRSGNNK-NWDGAFQWSA-N 1 0 339.823 3.098 20 5 EGBDRO CC[C@@H]1CCC[C@H]1[NH2+][C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000348159579 141240816 /nfs/dbraw/zinc/24/08/16/141240816.db2.gz KEEUNCDBERKFNH-OUCADQQQSA-N 1 0 335.404 3.099 20 5 EGBDRO CCC1(CC)[C@@H]([NH2+][C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1OC ZINC000178365625 144069904 /nfs/dbraw/zinc/06/99/04/144069904.db2.gz FQEPVUSABIZGML-RCBQFDQVSA-N 1 0 349.431 3.105 20 5 EGBDRO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1COc2ccccc21 ZINC000185575254 144115218 /nfs/dbraw/zinc/11/52/18/144115218.db2.gz QYFZLSVFTWSDKX-DYVFJYSZSA-N 1 0 328.368 3.128 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCCOC1CCOCC1 ZINC000344883013 144236710 /nfs/dbraw/zinc/23/67/10/144236710.db2.gz RZUBQHUDXNCAAD-NTCAYCPXSA-N 1 0 334.416 3.173 20 5 EGBDRO COCC[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)C[C@H]1CC=CCC1 ZINC000361679068 144349510 /nfs/dbraw/zinc/34/95/10/144349510.db2.gz SUEOTXWNSMNCQD-HNNXBMFYSA-N 1 0 334.416 3.408 20 5 EGBDRO CCO[C@@H]1C[C@@H](O)C12CC[NH+]([C@@H](C)c1cc([N+](=O)[O-])ccc1C)CC2 ZINC000305830272 286296285 /nfs/dbraw/zinc/29/62/85/286296285.db2.gz NWKKZMORXLJQGD-BMGDILEWSA-N 1 0 348.443 3.216 20 5 EGBDRO C[C@H](c1ccco1)[N@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000117336967 152095219 /nfs/dbraw/zinc/09/52/19/152095219.db2.gz GGYTZZQKCJGJOX-GFCCVEGCSA-N 1 0 345.355 3.179 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCC[C@@H]1C(C)C ZINC000117348500 152096652 /nfs/dbraw/zinc/09/66/52/152096652.db2.gz ZIPRVRJVWKEFFC-MRXNPFEDSA-N 1 0 349.431 3.443 20 5 EGBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@H]1CCC1CCCC1 ZINC000341562789 155356416 /nfs/dbraw/zinc/35/64/16/155356416.db2.gz IRJROQBBFVKWKT-INIZCTEOSA-N 1 0 333.432 3.191 20 5 EGBDRO CC(C)N(C(=O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000341588343 155370490 /nfs/dbraw/zinc/37/04/90/155370490.db2.gz JRHSGNIFKLLUGO-CQSZACIVSA-N 1 0 333.432 3.425 20 5 EGBDRO C[C@H](c1ccccc1)N(C)C(=O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000341595640 155374880 /nfs/dbraw/zinc/37/48/80/155374880.db2.gz OKNGSXJUZYTXDR-LSDHHAIUSA-N 1 0 341.411 3.465 20 5 EGBDRO C[C@H](C[NH+]1CCCCCC1)NC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000188441864 153016929 /nfs/dbraw/zinc/01/69/29/153016929.db2.gz UHDDQLAFJTWARY-HUUCEWRRSA-N 1 0 348.447 3.220 20 5 EGBDRO CCC[C@H]([NH2+][C@H](C)C(=O)N1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000193926118 153313653 /nfs/dbraw/zinc/31/36/53/153313653.db2.gz HPVWSYZMEJQVAK-PBHICJAKSA-N 1 0 333.432 3.427 20 5 EGBDRO CCc1ccc(C(=O)N(CCC[NH3+])Cc2ccccc2)cc1[N+](=O)[O-] ZINC000262457090 153822041 /nfs/dbraw/zinc/82/20/41/153822041.db2.gz LJIUTBDBVKSDNK-UHFFFAOYSA-N 1 0 341.411 3.148 20 5 EGBDRO COc1ccc(NC(=O)C[N@@H+]2CCCC(C)(C)CC2)c([N+](=O)[O-])c1 ZINC000303913210 154059898 /nfs/dbraw/zinc/05/98/98/154059898.db2.gz NFCCCWQWWWXEFU-UHFFFAOYSA-N 1 0 335.404 3.054 20 5 EGBDRO C[C@@H]1[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000310321918 154142329 /nfs/dbraw/zinc/14/23/29/154142329.db2.gz VFPANPQNDCAHDT-DNVCBOLYSA-N 1 0 325.412 3.347 20 5 EGBDRO CCC1(C)CC[NH+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000337629555 154456088 /nfs/dbraw/zinc/45/60/88/154456088.db2.gz CKUIHPDDMVIKTR-UHFFFAOYSA-N 1 0 349.431 3.444 20 5 EGBDRO CCC[C@H]([NH2+][C@@H]1CC(=O)N2CCCC[C@H]12)c1cccc([N+](=O)[O-])c1 ZINC000338009994 154601859 /nfs/dbraw/zinc/60/18/59/154601859.db2.gz HGMPLFGGQGJCII-GVDBMIGSSA-N 1 0 331.416 3.179 20 5 EGBDRO C[NH+](C)CC[C@H](NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)C(C)(C)C ZINC000342953497 155596024 /nfs/dbraw/zinc/59/60/24/155596024.db2.gz PRKGDMWSCRSDEY-HNNXBMFYSA-N 1 0 346.431 3.172 20 5 EGBDRO CC(C)n1nccc1[C@H]1OCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000343389676 155782799 /nfs/dbraw/zinc/78/27/99/155782799.db2.gz LKUWDIOVROSHQX-RDJZCZTQSA-N 1 0 348.378 3.131 20 5 EGBDRO [NH3+]CCN(C/C=C\c1ccc(F)cc1F)c1ccccc1[N+](=O)[O-] ZINC000348894684 156279744 /nfs/dbraw/zinc/27/97/44/156279744.db2.gz ORQZRKPRNAZFEO-ARJAWSKDSA-N 1 0 333.338 3.352 20 5 EGBDRO [NH3+]CCN(Cc1cccc(OC(F)F)c1)c1ccccc1[N+](=O)[O-] ZINC000348925732 156290066 /nfs/dbraw/zinc/29/00/66/156290066.db2.gz XUGCROREEPIALS-UHFFFAOYSA-N 1 0 337.326 3.162 20 5 EGBDRO C[NH+](C)CCN(Cc1cccc(F)c1)Cc1ccccc1[N+](=O)[O-] ZINC000349073202 156342802 /nfs/dbraw/zinc/34/28/02/156342802.db2.gz JXSSASOPQHSZPL-UHFFFAOYSA-N 1 0 331.391 3.298 20 5 EGBDRO CC[C@@H]([NH2+][C@H]1CCOC2(CCOCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000358318112 156804034 /nfs/dbraw/zinc/80/40/34/156804034.db2.gz LYARBLSNUKJGKJ-DOTOQJQBSA-N 1 0 334.416 3.364 20 5 EGBDRO Cc1nccn1-c1ccc(NC(=O)c2c(C)cccc2[N+](=O)[O-])cn1 ZINC000365671474 157213469 /nfs/dbraw/zinc/21/34/69/157213469.db2.gz KMJSZEMMEMCXJF-UHFFFAOYSA-N 1 0 337.339 3.045 20 5 EGBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000131310041 162397372 /nfs/dbraw/zinc/39/73/72/162397372.db2.gz AKLWPHZGLASYBX-CQSZACIVSA-N 1 0 349.456 3.017 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]Cc2ccccc2OCCO)cc1[N+](=O)[O-] ZINC000305102014 163073607 /nfs/dbraw/zinc/07/36/07/163073607.db2.gz AGPICFFHZXUQBH-AWEZNQCLSA-N 1 0 330.384 3.125 20 5 EGBDRO CCO[C@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])C1(C)C ZINC000337256242 163182758 /nfs/dbraw/zinc/18/27/58/163182758.db2.gz SELVPMGXPPYQMQ-CVEARBPZSA-N 1 0 349.431 3.059 20 5 EGBDRO CSc1ccc([C@H](CNc2ccc([N+](=O)[O-])c(C)n2)[NH+](C)C)cc1 ZINC000338838475 163360520 /nfs/dbraw/zinc/36/05/20/163360520.db2.gz VFHNAMPEESAJRQ-INIZCTEOSA-N 1 0 346.456 3.157 20 5 EGBDRO CCN(CC[NH+]1CCCCCC1)c1ncnc2sc([N+](=O)[O-])cc21 ZINC000343805500 164039171 /nfs/dbraw/zinc/03/91/71/164039171.db2.gz LIIRCKHKPIKBOY-UHFFFAOYSA-N 1 0 349.460 3.302 20 5 EGBDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000346125312 164343365 /nfs/dbraw/zinc/34/33/65/164343365.db2.gz YNDCSMQNGQMNKR-LBPRGKRZSA-N 1 0 339.823 3.243 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000347327092 164480237 /nfs/dbraw/zinc/48/02/37/164480237.db2.gz XGWWSGIBFBOMTA-YOEHRIQHSA-N 1 0 333.432 3.052 20 5 EGBDRO C[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(NC(N)=O)cc1 ZINC000123010394 287063652 /nfs/dbraw/zinc/06/36/52/287063652.db2.gz SAIMTKAIMAITFH-VXGBXAGGSA-N 1 0 328.372 3.497 20 5 EGBDRO C[NH+](C)[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000351656035 165117611 /nfs/dbraw/zinc/11/76/11/165117611.db2.gz QBRRLNSVVDLKOF-INIZCTEOSA-N 1 0 346.362 3.158 20 5 EGBDRO COc1ccc(CN2CCC[C@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)cc1[N+](=O)[O-] ZINC000352311282 165336990 /nfs/dbraw/zinc/33/69/90/165336990.db2.gz UGTCJLACGDZQNB-UXLLHSPISA-N 1 0 347.459 3.441 20 5 EGBDRO Cc1cc(NC(=O)NC[C@H](C)C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000352918257 165567416 /nfs/dbraw/zinc/56/74/16/165567416.db2.gz WVDMEOSGBHLZAP-ZDUSSCGKSA-N 1 0 334.420 3.147 20 5 EGBDRO COc1ccccc1[C@@H](CNc1cccc(OC)c1[N+](=O)[O-])[NH+](C)C ZINC000355448964 166202923 /nfs/dbraw/zinc/20/29/23/166202923.db2.gz VMFANHKMJLURST-OAHLLOKOSA-N 1 0 345.399 3.327 20 5 EGBDRO Cc1c(CNC(=O)NCCC[NH2+]C2CCCCC2)cccc1[N+](=O)[O-] ZINC000359536622 167183139 /nfs/dbraw/zinc/18/31/39/167183139.db2.gz XOQJDZWABSVQLZ-UHFFFAOYSA-N 1 0 348.447 3.015 20 5 EGBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000359777640 167229790 /nfs/dbraw/zinc/22/97/90/167229790.db2.gz JAPPMMZXWSEHKM-GFCCVEGCSA-N 1 0 333.388 3.191 20 5 EGBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](CCCc3ccncc3)CC2)cc1 ZINC000360439422 167329457 /nfs/dbraw/zinc/32/94/57/167329457.db2.gz XUARIFBUKPGFDC-UHFFFAOYSA-N 1 0 341.411 3.466 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)n1 ZINC000360674449 167385980 /nfs/dbraw/zinc/38/59/80/167385980.db2.gz GOSCJJOLHDMISA-CQSZACIVSA-N 1 0 326.400 3.157 20 5 EGBDRO C[C@@H](c1nc2ccccc2o1)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365123910 168025075 /nfs/dbraw/zinc/02/50/75/168025075.db2.gz NDLABQOWUFXYTN-LBPRGKRZSA-N 1 0 341.371 3.331 20 5 EGBDRO CCOc1ccc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1F ZINC000366011502 168071494 /nfs/dbraw/zinc/07/14/94/168071494.db2.gz NLWRABMYJCCRRC-UHFFFAOYSA-N 1 0 348.378 3.166 20 5 EGBDRO Cc1cc(F)ccc1C1CCN(Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000366374965 168112369 /nfs/dbraw/zinc/11/23/69/168112369.db2.gz ADXUCZTZRWGFHW-UHFFFAOYSA-N 1 0 332.379 3.155 20 5 EGBDRO C[N@@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)C[C@H]1CCCCO1 ZINC000122999734 222198146 /nfs/dbraw/zinc/19/81/46/222198146.db2.gz KNBVXJRHEPEHLY-GFCCVEGCSA-N 1 0 343.221 3.358 20 5 EGBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc([S@](C)=O)cc1 ZINC000123252324 222244505 /nfs/dbraw/zinc/24/45/05/222244505.db2.gz PACOIGLTKKXFFL-JCQPUDPBSA-N 1 0 332.425 3.226 20 5 EGBDRO CC(C)[NH+]1CCC(NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000175303755 265107440 /nfs/dbraw/zinc/10/74/40/265107440.db2.gz DGJCNWGJJOGRSJ-UHFFFAOYSA-N 1 0 348.447 3.002 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000177528388 265260752 /nfs/dbraw/zinc/26/07/52/265260752.db2.gz KEWGBOPYZQRYJH-MELADBBJSA-N 1 0 347.415 3.052 20 5 EGBDRO C[C@@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C1CCOCC1 ZINC000179845647 265390659 /nfs/dbraw/zinc/39/06/59/265390659.db2.gz QPGQGRKWWNHJJO-CYBMUJFWSA-N 1 0 345.399 3.197 20 5 EGBDRO COc1cc(C[NH2+][C@@H]2CCCO[C@H]2CC(C)C)c([N+](=O)[O-])cc1F ZINC000186400957 265529777 /nfs/dbraw/zinc/52/97/77/265529777.db2.gz KFAQLAOUZRTZNP-PBHICJAKSA-N 1 0 340.395 3.426 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]CC1(CO)CCCC1 ZINC000186483180 265533707 /nfs/dbraw/zinc/53/37/07/265533707.db2.gz ROACNMLUXRTYKU-NVXWUHKLSA-N 1 0 332.444 3.448 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCc2c(cccc2OC)C1 ZINC000192441849 265969053 /nfs/dbraw/zinc/96/90/53/265969053.db2.gz RFVVIBOIFRRWSK-OAHLLOKOSA-N 1 0 342.395 3.259 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1CN(C)C1CC[NH+](C(C)C)CC1 ZINC000267057921 266278040 /nfs/dbraw/zinc/27/80/40/266278040.db2.gz SFSSTYWFUQECEP-UHFFFAOYSA-N 1 0 335.448 3.298 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000269408802 266288780 /nfs/dbraw/zinc/28/87/80/266288780.db2.gz IPASMROVEJRAMV-BBRMVZONSA-N 1 0 331.416 3.057 20 5 EGBDRO CC[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H](C)c1cccc(O)c1 ZINC000269628093 266329724 /nfs/dbraw/zinc/32/97/24/266329724.db2.gz DGFHNKYNYCUUTF-UGSOOPFHSA-N 1 0 330.384 3.417 20 5 EGBDRO COc1ccc(F)cc1[C@@H](C)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000271641523 266698843 /nfs/dbraw/zinc/69/88/43/266698843.db2.gz HACBFANUVBTYET-BZNIZROVSA-N 1 0 334.347 3.127 20 5 EGBDRO O=C(NCCC[NH2+]C1CCCCC1)Nc1ccc([N+](=O)[O-])cc1F ZINC000273477258 267044827 /nfs/dbraw/zinc/04/48/27/267044827.db2.gz PTUFEHRFDLWDRF-UHFFFAOYSA-N 1 0 338.383 3.168 20 5 EGBDRO CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000274264410 267208006 /nfs/dbraw/zinc/20/80/06/267208006.db2.gz LDSUXJRAWHWVQV-CABCVRRESA-N 1 0 349.431 3.173 20 5 EGBDRO COc1cc(C[NH2+]CCCCCSC)c([N+](=O)[O-])cc1OC ZINC000274830645 267294105 /nfs/dbraw/zinc/29/41/05/267294105.db2.gz UIPHBMSLLHDWNR-UHFFFAOYSA-N 1 0 328.434 3.235 20 5 EGBDRO CC1(C)CCCC[C@@H]1[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000119829598 273578999 /nfs/dbraw/zinc/57/89/99/273578999.db2.gz ALOKBHZTWKQAQI-INIZCTEOSA-N 1 0 331.416 3.042 20 5 EGBDRO CC[NH+](CC)C[C@@H](C)Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000041677502 275125033 /nfs/dbraw/zinc/12/50/33/275125033.db2.gz AXGSWBCPKUYUJT-SNVBAGLBSA-N 1 0 330.226 3.500 20 5 EGBDRO C[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1cccc(O)c1 ZINC000181492538 275207242 /nfs/dbraw/zinc/20/72/42/275207242.db2.gz GGXTVTNWFIVYEV-SNVBAGLBSA-N 1 0 349.774 3.243 20 5 EGBDRO COc1cc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(F)cc1[N+](=O)[O-] ZINC000271070962 275237805 /nfs/dbraw/zinc/23/78/05/275237805.db2.gz FCDQULLRABKOHD-IUODEOHRSA-N 1 0 349.406 3.196 20 5 EGBDRO CCC[C@@H]([NH2+]C[C@H]1CCc2nccn2C1)c1cccc([N+](=O)[O-])c1 ZINC000278941325 275289699 /nfs/dbraw/zinc/28/96/99/275289699.db2.gz KDZMGACJKADKKL-RHSMWYFYSA-N 1 0 328.416 3.485 20 5 EGBDRO CC(=O)Nc1ccc(C[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])cn1 ZINC000279106584 275304345 /nfs/dbraw/zinc/30/43/45/275304345.db2.gz OWJLIYQCDKFEDO-CYBMUJFWSA-N 1 0 342.399 3.059 20 5 EGBDRO CC[C@@H]([NH2+]Cc1ccc(NC(C)=O)nc1)c1cccc([N+](=O)[O-])c1 ZINC000279215881 275313475 /nfs/dbraw/zinc/31/34/75/275313475.db2.gz YROBDVLBPIBKJS-MRXNPFEDSA-N 1 0 328.372 3.189 20 5 EGBDRO CC(C)c1ccc([C@H]([NH3+])CNC(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000151933719 275749522 /nfs/dbraw/zinc/74/95/22/275749522.db2.gz HMQHROVGIZTEPY-MRXNPFEDSA-N 1 0 327.384 3.148 20 5 EGBDRO COc1ccc(CC[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1OC ZINC000283900952 275759492 /nfs/dbraw/zinc/75/94/92/275759492.db2.gz CYBQYNBXUHSDTH-GFCCVEGCSA-N 1 0 345.399 3.088 20 5 EGBDRO CCS[C@@H]1CCC[C@H]1[NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000286200704 275964462 /nfs/dbraw/zinc/96/44/62/275964462.db2.gz PZUWCYRLDNYMAC-NILFDRSVSA-N 1 0 337.445 3.186 20 5 EGBDRO CCC[C@@H]([NH2+][C@@H]1CC(=O)N(C(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000358210210 276025767 /nfs/dbraw/zinc/02/57/67/276025767.db2.gz YCELANDIIOJGIM-GDBMZVCRSA-N 1 0 333.432 3.425 20 5 EGBDRO CC(C)[NH+](CCCNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)C(C)C ZINC000288617433 276234821 /nfs/dbraw/zinc/23/48/21/276234821.db2.gz ZWPRIGHGWWCGPJ-UHFFFAOYSA-N 1 0 347.419 3.164 20 5 EGBDRO CCC[C@@H]([NH2+]CCN1CCOC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000361184067 276271746 /nfs/dbraw/zinc/27/17/46/276271746.db2.gz JWCFGBODXZGGOE-QGZVFWFLSA-N 1 0 335.448 3.136 20 5 EGBDRO COc1ccc([C@H](C)[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)cc1O ZINC000289625277 276368244 /nfs/dbraw/zinc/36/82/44/276368244.db2.gz GZOZEMDIWRMARX-NSHDSACASA-N 1 0 332.356 3.168 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1COc3ccccc3[C@@H]1O)CCC2 ZINC000290341505 276482527 /nfs/dbraw/zinc/48/25/27/276482527.db2.gz PMQOAFJEYUSXJT-AOIWGVFYSA-N 1 0 340.379 3.056 20 5 EGBDRO CC(C)c1ccc(C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000190063344 278033186 /nfs/dbraw/zinc/03/31/86/278033186.db2.gz OUVDJAXLWHQWRP-OCCSQVGLSA-N 1 0 331.416 3.073 20 5 EGBDRO Cc1ccccc1O[C@H]1CCCC[C@H]1[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000362029164 281353535 /nfs/dbraw/zinc/35/35/35/281353535.db2.gz RWZQJBXJBRWEGK-PBHICJAKSA-N 1 0 344.415 3.117 20 5 EGBDRO C[NH+](C)CCN(Cc1ccccn1)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000349336761 289148897 /nfs/dbraw/zinc/14/88/97/289148897.db2.gz XXFNGZITPZUBIV-UHFFFAOYSA-N 1 0 348.834 3.207 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000187264200 301850499 /nfs/dbraw/zinc/85/04/99/301850499.db2.gz ANUIHNDNGYOLFW-RDTXWAMCSA-N 1 0 341.411 3.324 20 5 EGBDRO Cc1ccc([C@H](CNC(=O)c2cccc(C)c2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000067268254 307365265 /nfs/dbraw/zinc/36/52/65/307365265.db2.gz GIYZLOBRCZUGMD-KRWDZBQOSA-N 1 0 341.411 3.244 20 5 EGBDRO NC(=O)C[C@@H]([NH2+]Cc1c(Cl)cccc1[N+](=O)[O-])C1CCCCC1 ZINC000119875330 307500925 /nfs/dbraw/zinc/50/09/25/307500925.db2.gz NFVPJZVXEOGUPY-CQSZACIVSA-N 1 0 339.823 3.162 20 5 EGBDRO CC[C@@H](CCO)C[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000152659851 307756951 /nfs/dbraw/zinc/75/69/51/307756951.db2.gz HDEXUGVGTKFMHP-ZDUSSCGKSA-N 1 0 348.399 3.362 20 5 EGBDRO CCn1ccc(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])n1 ZINC000414209238 309066865 /nfs/dbraw/zinc/06/68/65/309066865.db2.gz MWVGMHRKGHQFJI-RHSMWYFYSA-N 1 0 328.416 3.312 20 5 EGBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@@H+](C)[C@@H](C)CC ZINC000248736862 308010347 /nfs/dbraw/zinc/01/03/47/308010347.db2.gz DSHDVUHKZJCLBG-GOEBONIOSA-N 1 0 335.448 3.010 20 5 EGBDRO Cc1ccc(CNCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)nn1 ZINC000414448785 309080829 /nfs/dbraw/zinc/08/08/29/309080829.db2.gz SPWDUZGMHKVSKP-UHFFFAOYSA-N 1 0 326.278 3.002 20 5 EGBDRO COCC1(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CCOCC1 ZINC000293685863 308152704 /nfs/dbraw/zinc/15/27/04/308152704.db2.gz NLEDGNFWSIRUTP-KRWDZBQOSA-N 1 0 348.443 3.350 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC000294681400 308245408 /nfs/dbraw/zinc/24/54/08/308245408.db2.gz BPKGVXIUUXXLOP-ZFWWWQNUSA-N 1 0 341.415 3.091 20 5 EGBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000294703933 308247708 /nfs/dbraw/zinc/24/77/08/308247708.db2.gz VMZYDXSVCMMGCQ-SNVBAGLBSA-N 1 0 347.337 3.074 20 5 EGBDRO O=C(NCCC[C@H]1CCC[NH2+]1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000294714006 308248847 /nfs/dbraw/zinc/24/88/47/308248847.db2.gz ALJVYOPPJSXCAV-GFCCVEGCSA-N 1 0 333.413 3.072 20 5 EGBDRO Cc1nccnc1CC[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000294855942 308264831 /nfs/dbraw/zinc/26/48/31/308264831.db2.gz BQUIRUDVYRCWEQ-QGZVFWFLSA-N 1 0 326.400 3.248 20 5 EGBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000295061761 308286724 /nfs/dbraw/zinc/28/67/24/308286724.db2.gz UCQCVEDUUWMLFD-GFCCVEGCSA-N 1 0 339.823 3.052 20 5 EGBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000295679471 308350029 /nfs/dbraw/zinc/35/00/29/308350029.db2.gz KUUZSOHPAWHHMJ-NHYWBVRUSA-N 1 0 339.823 3.114 20 5 EGBDRO C[C@H]1C[C@@H]1c1ccc(CN2CCN(c3ncccc3[N+](=O)[O-])CC2)o1 ZINC000296154252 308398719 /nfs/dbraw/zinc/39/87/19/308398719.db2.gz XQOUDXWTBIILNP-ZFWWWQNUSA-N 1 0 342.399 3.028 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N(CCC[NH3+])CC1CCCC1 ZINC000414666858 309094614 /nfs/dbraw/zinc/09/46/14/309094614.db2.gz WXQNMMQUIBGOOH-UHFFFAOYSA-N 1 0 334.420 3.276 20 5 EGBDRO C[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000296676943 308455053 /nfs/dbraw/zinc/45/50/53/308455053.db2.gz HSADZQDVFGWKFV-XGUBFFRZSA-N 1 0 333.432 3.423 20 5 EGBDRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000296787692 308467247 /nfs/dbraw/zinc/46/72/47/308467247.db2.gz SNNYZDNKUOHWPT-QWHCGFSZSA-N 1 0 343.383 3.281 20 5 EGBDRO CC(C)N(CC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000297999395 308577772 /nfs/dbraw/zinc/57/77/72/308577772.db2.gz ZBQWCULNTQGHLZ-UHFFFAOYSA-N 1 0 347.337 3.026 20 5 EGBDRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000299080032 308659122 /nfs/dbraw/zinc/65/91/22/308659122.db2.gz XZDGHOFVPURIJS-STQMWFEESA-N 1 0 339.461 3.144 20 5 EGBDRO O=[N+]([O-])c1c2cccnc2ccc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000301285768 308694991 /nfs/dbraw/zinc/69/49/91/308694991.db2.gz VIIVKFLOVILBKV-AWEZNQCLSA-N 1 0 326.400 3.208 20 5 EGBDRO Cc1nn(C)c(NCC2([NH+]3CCCCC3)CCCCC2)c1[N+](=O)[O-] ZINC000301296964 308695525 /nfs/dbraw/zinc/69/55/25/308695525.db2.gz SMCZONPIUGTPQH-UHFFFAOYSA-N 1 0 335.452 3.237 20 5 EGBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000301532275 308704135 /nfs/dbraw/zinc/70/41/35/308704135.db2.gz KMXALGNICZEJMZ-INIZCTEOSA-N 1 0 332.448 3.391 20 5 EGBDRO CC[C@H](CNc1ncc(Br)cc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000301699346 308711425 /nfs/dbraw/zinc/71/14/25/308711425.db2.gz ROECGROQTONJNK-LLVKDONJSA-N 1 0 343.225 3.039 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]([NH+]3CC=CC3)C2)nc1-c1ccccc1 ZINC000301853907 308718460 /nfs/dbraw/zinc/71/84/60/308718460.db2.gz HGOWHJFQWQJDEH-MRXNPFEDSA-N 1 0 336.395 3.107 20 5 EGBDRO Cc1c(C[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)cccc1[N+](=O)[O-] ZINC000305791805 308761871 /nfs/dbraw/zinc/76/18/71/308761871.db2.gz ZLPCFDZDTXAWSQ-UHFFFAOYSA-N 1 0 349.431 3.392 20 5 EGBDRO CCC[NH+]1CCC(Nc2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000323719566 308768730 /nfs/dbraw/zinc/76/87/30/308768730.db2.gz OEBJNYYGQFQHPD-UHFFFAOYSA-N 1 0 332.326 3.295 20 5 EGBDRO CC[NH+](CC)CC1CCN(C(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000330708051 308797830 /nfs/dbraw/zinc/79/78/30/308797830.db2.gz MTHDOSMSYWJXLP-UHFFFAOYSA-N 1 0 333.432 3.097 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000332409409 308836754 /nfs/dbraw/zinc/83/67/54/308836754.db2.gz NANXMOULGGHNJJ-CABCVRRESA-N 1 0 346.431 3.065 20 5 EGBDRO CC1(C)CC(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC(C)(C)[NH2+]1 ZINC000411210581 308931027 /nfs/dbraw/zinc/93/10/27/308931027.db2.gz FLVJHJGHGHCERZ-JKSUJKDBSA-N 1 0 345.443 3.124 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCC[C@H]([NH+]3CCCC3)C2)c2cccnc21 ZINC000413059330 309013890 /nfs/dbraw/zinc/01/38/90/309013890.db2.gz FEXVCWPQFZFTLM-AWEZNQCLSA-N 1 0 326.400 3.208 20 5 EGBDRO C[C@@H](CNc1ncc([N+](=O)[O-])cc1C(F)(F)F)C[NH+]1CCCC1 ZINC000413068702 309014439 /nfs/dbraw/zinc/01/44/39/309014439.db2.gz JPEPDXURXSJDHH-JTQLQIEISA-N 1 0 332.326 3.152 20 5 EGBDRO CCC[N@H+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])c3ncccc23)C1 ZINC000413169642 309019359 /nfs/dbraw/zinc/01/93/59/309019359.db2.gz MRUYWEMEZBEVCM-AWEZNQCLSA-N 1 0 328.416 3.311 20 5 EGBDRO C[C@H]1CN(c2ccc([N+](=O)[O-])c3ncccc23)CC[N@@H+](C2CCC2)C1 ZINC000413293581 309025578 /nfs/dbraw/zinc/02/55/78/309025578.db2.gz APOAMCBRORCGGG-CQSZACIVSA-N 1 0 340.427 3.454 20 5 EGBDRO [NH3+][C@@H]1CCC[C@@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000414928596 309109854 /nfs/dbraw/zinc/10/98/54/309109854.db2.gz QIKRQFUREOXYJB-CHWSQXEVSA-N 1 0 332.429 3.078 20 5 EGBDRO [NH3+]CC[C@H](NCc1ccc(-c2ccccc2[N+](=O)[O-])o1)C(F)(F)F ZINC000415047182 309116377 /nfs/dbraw/zinc/11/63/77/309116377.db2.gz AQAHEZORYSROBD-AWEZNQCLSA-N 1 0 343.305 3.224 20 5 EGBDRO [NH3+]CC[C@H](NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(F)(F)F ZINC000415058027 309117259 /nfs/dbraw/zinc/11/72/59/309117259.db2.gz QXYXTLILJYVEFR-AWEZNQCLSA-N 1 0 343.305 3.224 20 5 EGBDRO C[C@H](NC(=O)Nc1ccc2c(c1)C[NH2+]CC2)c1cccc([N+](=O)[O-])c1 ZINC000415881761 309145629 /nfs/dbraw/zinc/14/56/29/309145629.db2.gz JMVVBTOCSRYIGJ-LBPRGKRZSA-N 1 0 340.383 3.123 20 5 EGBDRO C[NH2+]Cc1ccc(NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000415985115 309152884 /nfs/dbraw/zinc/15/28/84/309152884.db2.gz RKXLEANBGKRUSF-UHFFFAOYSA-N 1 0 342.399 3.021 20 5 EGBDRO CCNC(=O)C(C)(C)C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417323367 309201591 /nfs/dbraw/zinc/20/15/91/309201591.db2.gz XXZKLTXCWUUXFY-MRXNPFEDSA-N 1 0 333.432 3.114 20 5 EGBDRO CCC[C@@H]([NH2+][C@H]1CCN(CC(F)F)C1)c1cccc([N+](=O)[O-])c1 ZINC000417381044 309203671 /nfs/dbraw/zinc/20/36/71/309203671.db2.gz HYRDLSOCJBXPCA-DZGCQCFKSA-N 1 0 327.375 3.365 20 5 EGBDRO CO[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)CC(C)C ZINC000418101583 309235539 /nfs/dbraw/zinc/23/55/39/309235539.db2.gz QEJHHNYHQVFUND-QGZVFWFLSA-N 1 0 346.431 3.146 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1N1CCC2(C1)CC[NH2+]CC2 ZINC000420229286 309277613 /nfs/dbraw/zinc/27/76/13/309277613.db2.gz UJIOMAPUSPIDKL-UHFFFAOYSA-N 1 0 330.215 3.482 20 5 EGBDRO C[C@]1(Cc2ccc(F)cc2)CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000420931864 309302177 /nfs/dbraw/zinc/30/21/77/309302177.db2.gz UKHPZJYKNLOMLD-QGZVFWFLSA-N 1 0 332.379 3.028 20 5 EGBDRO Cc1cc(C[NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)cc(C)n1 ZINC000421376235 309321473 /nfs/dbraw/zinc/32/14/73/309321473.db2.gz JCSOVOMOQZZATQ-LBPRGKRZSA-N 1 0 342.399 3.114 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)CC[NH+](C(C)C)C(C)C ZINC000421518493 309328107 /nfs/dbraw/zinc/32/81/07/309328107.db2.gz VODLNXPSJGJKAJ-UHFFFAOYSA-N 1 0 335.448 3.402 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000421886198 309345214 /nfs/dbraw/zinc/34/52/14/309345214.db2.gz GXFALWWUKSHLQS-XGWLTEMNSA-N 1 0 345.443 3.014 20 5 EGBDRO CC(C)c1ccc(C(=O)NC[C@@H]([NH3+])c2ccccc2)cc1[N+](=O)[O-] ZINC000422805677 309369436 /nfs/dbraw/zinc/36/94/36/309369436.db2.gz MMZSPCJGRMPGNH-MRXNPFEDSA-N 1 0 327.384 3.148 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NCC[NH2+]C2CCCCCC2)c1 ZINC000422881263 309373582 /nfs/dbraw/zinc/37/35/82/309373582.db2.gz YNUUIFRZDCSJCG-UHFFFAOYSA-N 1 0 349.431 3.036 20 5 EGBDRO CC[NH2+]CC1CCN(C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000422892862 309374704 /nfs/dbraw/zinc/37/47/04/309374704.db2.gz NYGGCTXHZHPQCW-UHFFFAOYSA-N 1 0 333.432 3.180 20 5 EGBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(C)(C)[C@H]([NH3+])c1ccccc1 ZINC000422992472 309379827 /nfs/dbraw/zinc/37/98/27/309379827.db2.gz COVOHVHHLDDMMZ-QGZVFWFLSA-N 1 0 341.411 3.279 20 5 EGBDRO CCOC(=O)c1cc(NC2CC[NH+](CC(C)C)CC2)ccc1[N+](=O)[O-] ZINC000433713543 309694334 /nfs/dbraw/zinc/69/43/34/309694334.db2.gz MQPCVIBJPCLHPV-UHFFFAOYSA-N 1 0 349.431 3.304 20 5 EGBDRO CC(C)c1ccc(C(=O)NC[C@H](C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000439414915 309832375 /nfs/dbraw/zinc/83/23/75/309832375.db2.gz NJYYXBSHRVRLIE-AWEZNQCLSA-N 1 0 333.432 3.180 20 5 EGBDRO C[C@@H](Cc1ccccc1F)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446833610 309968829 /nfs/dbraw/zinc/96/88/29/309968829.db2.gz HMCVGJSTXYIERR-NSHDSACASA-N 1 0 328.347 3.331 20 5 EGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](Cc1ccccc1)N(C)C ZINC000449061245 310033945 /nfs/dbraw/zinc/03/39/45/310033945.db2.gz IASXKDPZADYPHQ-APWZRJJASA-N 1 0 341.455 3.288 20 5 EGBDRO COc1ccc(OC)c(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000449071073 310034579 /nfs/dbraw/zinc/03/45/79/310034579.db2.gz NAJRBWLTGUDZCU-ZDUSSCGKSA-N 1 0 330.384 3.333 20 5 EGBDRO C[C@@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])c1nnc2n1CCCCC2 ZINC000449076908 310035074 /nfs/dbraw/zinc/03/50/74/310035074.db2.gz UUQJOKOPFJRCKO-UONOGXRCSA-N 1 0 343.431 3.195 20 5 EGBDRO Cc1ccc(C[C@@H](CO)[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000449269726 310048989 /nfs/dbraw/zinc/04/89/89/310048989.db2.gz OAISXTYFCCCRDR-QAPCUYQASA-N 1 0 328.412 3.027 20 5 EGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@]1(CO)C[C@@H]1c1ccccc1 ZINC000449338779 310054833 /nfs/dbraw/zinc/05/48/33/310054833.db2.gz SPJJZRIFWVTSMH-XFQXTVEOSA-N 1 0 340.423 3.282 20 5 EGBDRO NC(=O)c1ccc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000449505801 310067685 /nfs/dbraw/zinc/06/76/85/310067685.db2.gz XVBZISCKQXRRAS-KRWDZBQOSA-N 1 0 339.395 3.073 20 5 EGBDRO CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449512193 310068177 /nfs/dbraw/zinc/06/81/77/310068177.db2.gz OTJMDSNEROLGEG-IMJJTQAJSA-N 1 0 334.416 3.237 20 5 EGBDRO CC[C@H]([NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1)[C@H](C)O ZINC000449534614 310069847 /nfs/dbraw/zinc/06/98/47/310069847.db2.gz CMWRVFLMAVUSLT-NHYWBVRUSA-N 1 0 334.372 3.112 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H]2C[C@H](O)CC[C@H]2C1 ZINC000449557584 310071678 /nfs/dbraw/zinc/07/16/78/310071678.db2.gz VAKVJVLJSSMYNT-DOZNXSAJSA-N 1 0 330.428 3.481 20 5 EGBDRO COc1ccc(-c2ccc(C[NH2+]C[C@@H](O)C3CCC3)o2)c([N+](=O)[O-])c1 ZINC000449738263 310083425 /nfs/dbraw/zinc/08/34/25/310083425.db2.gz ALLDPJUCQKHBJY-QGZVFWFLSA-N 1 0 346.383 3.114 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3CC[C@@H](CCCO)C3)o2)c1 ZINC000449789971 310087485 /nfs/dbraw/zinc/08/74/85/310087485.db2.gz JCCKJULQVGZTLZ-CQSZACIVSA-N 1 0 330.384 3.449 20 5 EGBDRO C[C@H]1C[C@@H](Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CC[N@@H+]1C ZINC000450353677 310117340 /nfs/dbraw/zinc/11/73/40/310117340.db2.gz GFWRUIPZQPMOSR-AAEUAGOBSA-N 1 0 332.429 3.035 20 5 EGBDRO C[NH+]1CCC([C@H]2CCN(c3nccc4c3cccc4[N+](=O)[O-])C2)CC1 ZINC000450400554 310120280 /nfs/dbraw/zinc/12/02/80/310120280.db2.gz CSXBFNFQSXCMQL-HNNXBMFYSA-N 1 0 340.427 3.311 20 5 EGBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000450415455 310121114 /nfs/dbraw/zinc/12/11/14/310121114.db2.gz BHUJRMCURQVXKM-VXGBXAGGSA-N 1 0 332.429 3.247 20 5 EGBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1nccc2c1cccc2[N+](=O)[O-] ZINC000450522942 310128111 /nfs/dbraw/zinc/12/81/11/310128111.db2.gz BNYLMFONTKSBIX-ZIAGYGMSSA-N 1 0 326.400 3.206 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1CCC12CCCC2 ZINC000451459423 310179314 /nfs/dbraw/zinc/17/93/14/310179314.db2.gz QHGFDNAQSIRHPR-MRXNPFEDSA-N 1 0 347.415 3.244 20 5 EGBDRO COc1cc(C[NH2+][C@H]2C[C@@](C)(OC)C2(C)C)c([N+](=O)[O-])cc1F ZINC000451498552 310181323 /nfs/dbraw/zinc/18/13/23/310181323.db2.gz WMXQJKQHMNCDMM-GOEBONIOSA-N 1 0 326.368 3.036 20 5 EGBDRO CO[C@@H]1CC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]1C ZINC000451579785 310187694 /nfs/dbraw/zinc/18/76/94/310187694.db2.gz YYUGYCUIOLRMIB-MLGOLLRUSA-N 1 0 331.372 3.107 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1 ZINC000451698554 310193115 /nfs/dbraw/zinc/19/31/15/310193115.db2.gz CSZFIBGYGQWYFD-RKVPGOIHSA-N 1 0 348.443 3.365 20 5 EGBDRO COc1ccc2c(c1)OC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)C2 ZINC000453217002 310264817 /nfs/dbraw/zinc/26/48/17/310264817.db2.gz RDLGZSMOZVLBQX-HNNXBMFYSA-N 1 0 328.368 3.005 20 5 EGBDRO CC[C@H]([NH2+][C@@H]1CCO[C@H](c2ccnn2C)C1)c1cccc([N+](=O)[O-])c1 ZINC000453353657 310272511 /nfs/dbraw/zinc/27/25/11/310272511.db2.gz QSKWTOJLTVZBPP-HFTRVMKXSA-N 1 0 344.415 3.289 20 5 EGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)Cc1cnn(C)c1 ZINC000453364590 310273028 /nfs/dbraw/zinc/27/30/28/310273028.db2.gz VISCDWJRSFCZMY-DZGCQCFKSA-N 1 0 348.472 3.420 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC(C)(C)C[NH+]1CCCC1 ZINC000455237949 310351557 /nfs/dbraw/zinc/35/15/57/310351557.db2.gz AHGLZIUZAVCGQD-UHFFFAOYSA-N 1 0 334.420 3.208 20 5 EGBDRO CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000456196201 310393064 /nfs/dbraw/zinc/39/30/64/310393064.db2.gz WQMYQTOEBJXDQZ-BETUJISGSA-N 1 0 334.420 3.226 20 5 EGBDRO CC(C)[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])C1(CO)CCCC1 ZINC000459524072 310558308 /nfs/dbraw/zinc/55/83/08/310558308.db2.gz HJQKWUPVFHDLCO-QGZVFWFLSA-N 1 0 336.432 3.141 20 5 EGBDRO C[C@H](CCCc1cccnc1)[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000459634372 310565422 /nfs/dbraw/zinc/56/54/22/310565422.db2.gz FTDBVZAQLCJGTM-OAHLLOKOSA-N 1 0 329.400 3.370 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCN(c2ccccn2)C1 ZINC000468619593 310691237 /nfs/dbraw/zinc/69/12/37/310691237.db2.gz PIYRZSVRSQVFFE-JBXOJTMHSA-N 1 0 338.411 3.262 20 5 EGBDRO CC[NH+](CC)CCC[C@H](C)Nc1nc2ccccc2cc1[N+](=O)[O-] ZINC000473517353 310776068 /nfs/dbraw/zinc/77/60/68/310776068.db2.gz IHHVPCJQKFRBTE-AWEZNQCLSA-N 1 0 330.432 3.487 20 5 EGBDRO CC(C)(CC[NH+]1CCCCCC1)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000476799038 310834742 /nfs/dbraw/zinc/83/47/42/310834742.db2.gz BTLVELQTXXSDFX-UHFFFAOYSA-N 1 0 333.432 3.369 20 5 EGBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000488758058 311078724 /nfs/dbraw/zinc/07/87/24/311078724.db2.gz AZUCYTUQKQJEMO-CYBMUJFWSA-N 1 0 331.416 3.108 20 5 EGBDRO C[C@H]1CN(c2nc3ccccc3cc2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000488769203 311079501 /nfs/dbraw/zinc/07/95/01/311079501.db2.gz YNZQLQFSUFWMFL-CQSZACIVSA-N 1 0 340.427 3.454 20 5 EGBDRO CC[NH+](CC)CC1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000491276401 311171464 /nfs/dbraw/zinc/17/14/64/311171464.db2.gz GPNZLWRTLFDPHT-MDZDMXLPSA-N 1 0 345.443 3.188 20 5 EGBDRO CCOC(=O)CC(C)(C)[N@H+](C)Cc1ccc([N+](=O)[O-])c(OCC)c1 ZINC000492747048 311286666 /nfs/dbraw/zinc/28/66/66/311286666.db2.gz KONACXOVRBMXIF-UHFFFAOYSA-N 1 0 338.404 3.157 20 5 EGBDRO C[NH+](C)Cc1ccccc1NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000492912005 311305852 /nfs/dbraw/zinc/30/58/52/311305852.db2.gz NOQYUELVGFLQDA-XFXZXTDPSA-N 1 0 325.368 3.308 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3CCn4ccnc4C3)o2)cc1 ZINC000494444448 311478598 /nfs/dbraw/zinc/47/85/98/311478598.db2.gz LZUNGMMBWJLSMA-CQSZACIVSA-N 1 0 338.367 3.156 20 5 EGBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@@H](COc3ccccc3)C2)c1 ZINC000505891400 312038050 /nfs/dbraw/zinc/03/80/50/312038050.db2.gz XZVOTSXXKZYDEL-MRXNPFEDSA-N 1 0 342.395 3.375 20 5 EGBDRO O=[N+]([O-])c1cc(F)c(C[NH2+][C@H](CCO)C2CCCCC2)c(F)c1 ZINC000508992545 312107194 /nfs/dbraw/zinc/10/71/94/312107194.db2.gz VRNRHACBUSNLQJ-MRXNPFEDSA-N 1 0 328.359 3.294 20 5 EGBDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CCN1C ZINC000513831483 312218597 /nfs/dbraw/zinc/21/85/97/312218597.db2.gz SAIGIKPQLVRFAP-JOCBIADPSA-N 1 0 331.460 3.378 20 5 EGBDRO Cc1ccc(NCc2ccc(OCC[NH+](C)C)cc2)c([N+](=O)[O-])c1 ZINC000514205827 312227279 /nfs/dbraw/zinc/22/72/79/312227279.db2.gz HAPCYOCSAMXPIV-UHFFFAOYSA-N 1 0 329.400 3.456 20 5 EGBDRO CC[C@H]([NH2+][C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)C(C)(C)C ZINC000517961613 312400062 /nfs/dbraw/zinc/40/00/62/312400062.db2.gz NNASXBRGHRRYLJ-ABAIWWIYSA-N 1 0 337.420 3.345 20 5 EGBDRO COc1ccc2c(c1)[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)CC2 ZINC000536857323 314150577 /nfs/dbraw/zinc/15/05/77/314150577.db2.gz KHVPUKSXVGBCTC-GOSISDBHSA-N 1 0 328.368 3.259 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+]C2CCN(c3cnccn3)CC2)cc1[N+](=O)[O-] ZINC000539122720 314297766 /nfs/dbraw/zinc/29/77/66/314297766.db2.gz VYSBSDVOASFJLP-CQSZACIVSA-N 1 0 341.415 3.013 20 5 EGBDRO COC[C@@H](Cc1ccccc1)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000539513312 314318618 /nfs/dbraw/zinc/31/86/18/314318618.db2.gz WJELSWOHROIMJJ-JGZYNSJSSA-N 1 0 326.396 3.455 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1ccc2c(c1)C(=O)NCC2 ZINC000543595140 314638747 /nfs/dbraw/zinc/63/87/47/314638747.db2.gz LETHOWGVYULHKR-CYBMUJFWSA-N 1 0 339.395 3.040 20 5 EGBDRO C[C@H]1CN(c2ccc(Nc3c(F)cccc3[N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000553299623 315256084 /nfs/dbraw/zinc/25/60/84/315256084.db2.gz NCAVYEDVAOHDCZ-RYUDHWBXSA-N 1 0 346.362 3.486 20 5 EGBDRO COc1ccc([C@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)cc1O ZINC000554982776 315360546 /nfs/dbraw/zinc/36/05/46/315360546.db2.gz QUVPSIIVVPIMHC-LBPRGKRZSA-N 1 0 332.356 3.039 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000557539417 315517720 /nfs/dbraw/zinc/51/77/20/315517720.db2.gz DGVFDYOCRVOJTM-AWEZNQCLSA-N 1 0 348.447 3.399 20 5 EGBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C1CC(C(F)(F)F)C1 ZINC000562107700 315800804 /nfs/dbraw/zinc/80/08/04/315800804.db2.gz DVVXODADBSZEBK-GRZMOONWSA-N 1 0 345.321 3.242 20 5 EGBDRO C[C@H](C(=O)NCCC[NH+]1CCCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000562387219 315827224 /nfs/dbraw/zinc/82/72/24/315827224.db2.gz GQZOEBUHGOERBV-HNNXBMFYSA-N 1 0 333.432 3.081 20 5 EGBDRO C[C@H](C(=O)N1CC[N@H+](C)CC12CCCCC2)c1cccc([N+](=O)[O-])c1 ZINC000564030967 316103847 /nfs/dbraw/zinc/10/38/47/316103847.db2.gz DAZSVNDCHVPZBF-HNNXBMFYSA-N 1 0 345.443 3.175 20 5 EGBDRO COc1ccc(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c(C)c1 ZINC000570010576 316994135 /nfs/dbraw/zinc/99/41/35/316994135.db2.gz SHAQPICIZNTOPC-DLBZAZTESA-N 1 0 344.415 3.382 20 5 EGBDRO CCC[C@@H]([NH2+][C@@H]1CCN(C(C)(C)C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000571800318 317249413 /nfs/dbraw/zinc/24/94/13/317249413.db2.gz WYHCVMOIXJLDSI-HZPDHXFCSA-N 1 0 333.432 3.425 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](NC2CC[NH+](C3CC3)CC2)C(F)(F)F)cc1 ZINC000572413405 317335543 /nfs/dbraw/zinc/33/55/43/317335543.db2.gz CNWIXDZGLMWBPN-OAHLLOKOSA-N 1 0 343.349 3.415 20 5 EGBDRO O=C1CCCN1[C@@H]1CCC[C@@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000573935824 317544965 /nfs/dbraw/zinc/54/49/65/317544965.db2.gz RETIFNDAWZMBPD-CPUCHLNUSA-N 1 0 343.427 3.105 20 5 EGBDRO C[C@@H]1[C@@H](C)CCCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000172859532 323290866 /nfs/dbraw/zinc/29/08/66/323290866.db2.gz XUINIQJJSYXATB-WDEREUQCSA-N 1 0 325.796 3.307 20 5 EGBDRO COC[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(F)c(F)c1 ZINC000182831619 323578184 /nfs/dbraw/zinc/57/81/84/323578184.db2.gz CTWUFXZPDKUJRH-KRWDZBQOSA-N 1 0 336.338 3.393 20 5 EGBDRO Cc1cccc([C@@H](C)[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)c1C ZINC000183722316 323629025 /nfs/dbraw/zinc/62/90/25/323629025.db2.gz RSLXGSRZHOAWRH-WBVHZDCISA-N 1 0 344.411 3.302 20 5 EGBDRO CCCC[C@@H]([NH2+]CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C1CCC1 ZINC000184869991 323680221 /nfs/dbraw/zinc/68/02/21/323680221.db2.gz JRSRUJDOTCCJAL-OAHLLOKOSA-N 1 0 349.431 3.490 20 5 EGBDRO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000389824379 324279822 /nfs/dbraw/zinc/27/98/22/324279822.db2.gz NYGXLZKQEXKXGL-UZLBHIALSA-N 1 0 339.439 3.247 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000452111774 324349056 /nfs/dbraw/zinc/34/90/56/324349056.db2.gz DACDRTYHRCHWFL-QGZVFWFLSA-N 1 0 335.448 3.297 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]Cc1cnc(C2CC2)nc1 ZINC000459467341 324359560 /nfs/dbraw/zinc/35/95/60/324359560.db2.gz RPTJFBFCENERHN-UHFFFAOYSA-N 1 0 332.791 3.248 20 5 EGBDRO C[NH+](C)[C@@H](CN[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F)C1CC1 ZINC000576949573 324714177 /nfs/dbraw/zinc/71/41/77/324714177.db2.gz OYTWXFRBRVYGRU-KBPBESRZSA-N 1 0 331.338 3.128 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000580325427 325235293 /nfs/dbraw/zinc/23/52/93/325235293.db2.gz NVJNPHAXRFNIDQ-INIZCTEOSA-N 1 0 339.395 3.364 20 5 EGBDRO COc1ccc(C[NH2+][C@H](c2ccccc2)C(C)(C)CO)cc1[N+](=O)[O-] ZINC000581422070 325359982 /nfs/dbraw/zinc/35/99/82/325359982.db2.gz RCDLTIUJNSNDMF-GOSISDBHSA-N 1 0 344.411 3.453 20 5 EGBDRO COc1ccccc1[C@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000158055312 455264378 /nfs/dbraw/zinc/26/43/78/455264378.db2.gz VHAVVCWIMVOSLO-HNNXBMFYSA-N 1 0 342.395 3.472 20 5 EGBDRO CC(C)CC(=O)N1CCC([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000173361123 455273573 /nfs/dbraw/zinc/27/35/73/455273573.db2.gz BWSGEFDQXGLEBG-AWEZNQCLSA-N 1 0 333.432 3.283 20 5 EGBDRO CS[C@H](C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C(C)(C)C ZINC000612193742 460563888 /nfs/dbraw/zinc/56/38/88/460563888.db2.gz RODPEERTIUWKHH-OAHLLOKOSA-N 1 0 340.445 3.233 20 5 EGBDRO C[NH+](C)[C@H](CNc1nc2sccn2c1[N+](=O)[O-])c1ccccc1 ZINC000008318266 453190080 /nfs/dbraw/zinc/19/00/80/453190080.db2.gz UYLXRKBRBMTXIK-GFCCVEGCSA-N 1 0 331.401 3.019 20 5 EGBDRO CC(=O)c1ccc(N2CCC[C@H]([NH+]3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000265623215 455351139 /nfs/dbraw/zinc/35/11/39/455351139.db2.gz YLBKXHSCGQVXOZ-INIZCTEOSA-N 1 0 331.416 3.252 20 5 EGBDRO Cc1cccc(C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)c1[N+](=O)[O-] ZINC000012772859 453402532 /nfs/dbraw/zinc/40/25/32/453402532.db2.gz BEKTZOMVDVVASX-MRXNPFEDSA-N 1 0 345.374 3.075 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cccc4ccccc43)CC2)nc1 ZINC000018060312 453641928 /nfs/dbraw/zinc/64/19/28/453641928.db2.gz DJHPJBJKSVCAEH-UHFFFAOYSA-N 1 0 348.406 3.465 20 5 EGBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H]2c2ccccc2)c1 ZINC000022549289 453694255 /nfs/dbraw/zinc/69/42/55/453694255.db2.gz RGLZSROSVYYYIG-PKOBYXMFSA-N 1 0 342.395 3.172 20 5 EGBDRO CC[NH+](CC)Cc1cccc(NC(=O)c2cc([N+](=O)[O-])cn2C)c1 ZINC000024927042 453751622 /nfs/dbraw/zinc/75/16/22/453751622.db2.gz CZNWKPVDMBKJHH-UHFFFAOYSA-N 1 0 330.388 3.027 20 5 EGBDRO CC(C)[C@H](CNc1ccc([N+](=O)[O-])cn1)[N@@H+]1CCc2ccccc2C1 ZINC000026727789 453804887 /nfs/dbraw/zinc/80/48/87/453804887.db2.gz GZGPROFPGNJTLF-SFHVURJKSA-N 1 0 340.427 3.485 20 5 EGBDRO CC(C)[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccccc1 ZINC000027369178 453815812 /nfs/dbraw/zinc/81/58/12/453815812.db2.gz KJZZQDJDTQYLBJ-KRWDZBQOSA-N 1 0 327.384 3.181 20 5 EGBDRO COc1ccccc1[C@H](CC(C)C)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000181697707 455372690 /nfs/dbraw/zinc/37/26/90/455372690.db2.gz XUCANEBAAKMMBE-HNNXBMFYSA-N 1 0 332.404 3.177 20 5 EGBDRO C[C@H](Nc1ccc(Br)cc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000037139968 453934547 /nfs/dbraw/zinc/93/45/47/453934547.db2.gz NGVWHKGOCRTADI-JTQLQIEISA-N 1 0 342.237 3.500 20 5 EGBDRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000056196933 454043688 /nfs/dbraw/zinc/04/36/88/454043688.db2.gz PUORPZZSVQIOED-CHWSQXEVSA-N 1 0 343.383 3.281 20 5 EGBDRO Cc1ccc(NC(=O)NC2CC[NH+](CC(C)C)CC2)cc1[N+](=O)[O-] ZINC000043147482 454044936 /nfs/dbraw/zinc/04/49/36/454044936.db2.gz CCVUGHDXUBOWIR-UHFFFAOYSA-N 1 0 334.420 3.145 20 5 EGBDRO CC(C)(C)[N@@H+]1CCCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000069064256 454076545 /nfs/dbraw/zinc/07/65/45/454076545.db2.gz NKKODWCKJQUCCH-UHFFFAOYSA-N 1 0 328.416 3.454 20 5 EGBDRO COc1cccc([C@@H](CNc2cccc(F)c2[N+](=O)[O-])[NH+](C)C)c1 ZINC000044532185 454105588 /nfs/dbraw/zinc/10/55/88/454105588.db2.gz QQRYUMVRGMRVRR-MRXNPFEDSA-N 1 0 333.363 3.457 20 5 EGBDRO Cc1cnn(CCCCC[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000088607607 454116066 /nfs/dbraw/zinc/11/60/66/454116066.db2.gz GFWZVNUADQYCCR-UHFFFAOYSA-N 1 0 328.416 3.328 20 5 EGBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)N2CCCCC2)cc1[N+](=O)[O-] ZINC000089593042 454165347 /nfs/dbraw/zinc/16/53/47/454165347.db2.gz GMCYSUVWKQMMDG-KBPBESRZSA-N 1 0 349.431 3.045 20 5 EGBDRO Cc1cc(NC2CC[NH+]([C@H]3CCOC3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000089603062 454166865 /nfs/dbraw/zinc/16/68/65/454166865.db2.gz SNHLLMKGXQGSRJ-ZDUSSCGKSA-N 1 0 339.823 3.222 20 5 EGBDRO O=C(Nc1ccn(-c2cc[nH+]cc2)n1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000071039148 454194804 /nfs/dbraw/zinc/19/48/04/454194804.db2.gz KXPUZAHGOJQPHN-UHFFFAOYSA-N 1 0 343.730 3.081 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000120066102 454253487 /nfs/dbraw/zinc/25/34/87/454253487.db2.gz CKVMOWYGXUEQQH-GFCCVEGCSA-N 1 0 334.420 3.065 20 5 EGBDRO C[C@@H](C1CC1)[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CC1 ZINC000078535640 454271663 /nfs/dbraw/zinc/27/16/63/454271663.db2.gz IQXLYBFGOHSZPV-NSHDSACASA-N 1 0 328.372 3.408 20 5 EGBDRO CC(C)(C)c1ccc(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000120237791 454275958 /nfs/dbraw/zinc/27/59/58/454275958.db2.gz QEOTUXVCSYWZNA-ZDUSSCGKSA-N 1 0 345.443 3.106 20 5 EGBDRO CC[NH+](CC)[C@@H]1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000078576584 454278737 /nfs/dbraw/zinc/27/87/37/454278737.db2.gz HGZNEGZKYBHQDI-GFCCVEGCSA-N 1 0 329.347 3.117 20 5 EGBDRO Cc1cnc(NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000078659291 454293489 /nfs/dbraw/zinc/29/34/89/454293489.db2.gz AMQSNUWIWBHCLR-KRWDZBQOSA-N 1 0 340.427 3.275 20 5 EGBDRO Cc1ccnc(N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000078674894 454296833 /nfs/dbraw/zinc/29/68/33/454296833.db2.gz RRTAEUGZIQKIHX-KRWDZBQOSA-N 1 0 340.427 3.257 20 5 EGBDRO Cc1c(C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000046991241 454313168 /nfs/dbraw/zinc/31/31/68/454313168.db2.gz ZICGAJBLMFVSGC-AWEZNQCLSA-N 1 0 333.432 3.145 20 5 EGBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@@H]1c1cccc(Cl)c1 ZINC000090517997 454314782 /nfs/dbraw/zinc/31/47/82/454314782.db2.gz YVSUQOBZEAWWIY-MRXNPFEDSA-N 1 0 347.802 3.247 20 5 EGBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000047215225 454341655 /nfs/dbraw/zinc/34/16/55/454341655.db2.gz AJHSOUCRRMAGJY-HZPDHXFCSA-N 1 0 347.459 3.012 20 5 EGBDRO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CCc1cccs1 ZINC000072800650 454341802 /nfs/dbraw/zinc/34/18/02/454341802.db2.gz OAAKAXRVIIRIPM-UHFFFAOYSA-N 1 0 333.413 3.159 20 5 EGBDRO COc1ccc2c(c1)OC[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C2 ZINC000090964635 454355860 /nfs/dbraw/zinc/35/58/60/454355860.db2.gz MULAWTBXKMKADY-IUODEOHRSA-N 1 0 328.368 3.258 20 5 EGBDRO O=C(Nc1ccn(-c2cc[nH+]cc2)n1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000072877892 454355988 /nfs/dbraw/zinc/35/59/88/454355988.db2.gz DQMRRZSUXPRURY-UHFFFAOYSA-N 1 0 343.730 3.081 20 5 EGBDRO C[NH+](C)Cc1cccc(NC(=O)CCNc2ccccc2[N+](=O)[O-])c1 ZINC000047453917 454373708 /nfs/dbraw/zinc/37/37/08/454373708.db2.gz CAOREFNXFOIXCS-UHFFFAOYSA-N 1 0 342.399 3.097 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000132959850 454380594 /nfs/dbraw/zinc/38/05/94/454380594.db2.gz NRRPRLAWJFIVBN-HOTGVXAUSA-N 1 0 347.459 3.055 20 5 EGBDRO CC[C@@H](CSC)[N@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000091097264 454383269 /nfs/dbraw/zinc/38/32/69/454383269.db2.gz FHXAEQAWLDSCJG-ZDUSSCGKSA-N 1 0 326.418 3.035 20 5 EGBDRO CN(CC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)C1CCCC1 ZINC000133203307 454400693 /nfs/dbraw/zinc/40/06/93/454400693.db2.gz VREDFGXBPMFRIJ-GOSISDBHSA-N 1 0 331.460 3.380 20 5 EGBDRO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000091481349 454439766 /nfs/dbraw/zinc/43/97/66/454439766.db2.gz KQDRXEKTDUFYQL-CYBMUJFWSA-N 1 0 328.210 3.109 20 5 EGBDRO CC(C)[NH+]1CCC(N(C)C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000063919142 454460195 /nfs/dbraw/zinc/46/01/95/454460195.db2.gz WDXMRXBAZVZQDL-FNORWQNLSA-N 1 0 349.406 3.078 20 5 EGBDRO C[NH+](C)Cc1ccccc1NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000048321785 454472627 /nfs/dbraw/zinc/47/26/27/454472627.db2.gz RWZYQDGCPUVVFJ-UHFFFAOYSA-N 1 0 338.367 3.390 20 5 EGBDRO COC(=O)[C@H](C)[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000079937818 454501479 /nfs/dbraw/zinc/50/14/79/454501479.db2.gz CZKWYUUEUYKFKB-KDOFPFPSSA-N 1 0 342.395 3.277 20 5 EGBDRO Cc1cccc(OCC[N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000065209104 454538066 /nfs/dbraw/zinc/53/80/66/454538066.db2.gz VZHGCPHHPXWOHK-UHFFFAOYSA-N 1 0 330.384 3.293 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[N@@H+](CCO)[C@@H]1CCCc2ccccc21 ZINC000074312175 454561196 /nfs/dbraw/zinc/56/11/96/454561196.db2.gz AYQYXPUWQQCWLM-LJQANCHMSA-N 1 0 326.396 3.467 20 5 EGBDRO COc1ccc(OCC[N@@H+]2CCCC[C@H](SC)C2)c([N+](=O)[O-])c1 ZINC000134582568 454564220 /nfs/dbraw/zinc/56/42/20/454564220.db2.gz MDAKTDLPPVLAMW-AWEZNQCLSA-N 1 0 340.445 3.200 20 5 EGBDRO Cc1cc([N+](=O)[O-])cnc1NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000092687363 454610553 /nfs/dbraw/zinc/61/05/53/454610553.db2.gz XAQNTWNNVARTHD-AWEZNQCLSA-N 1 0 341.415 3.331 20 5 EGBDRO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H](CO)C2)ccc1Oc1ccc(F)cc1 ZINC000092764316 454627546 /nfs/dbraw/zinc/62/75/46/454627546.db2.gz XDNNAKAXZYCATH-AWEZNQCLSA-N 1 0 346.358 3.340 20 5 EGBDRO Cc1cc(N(C)C2CC[NH+](Cc3ccccc3)CC2)ncc1[N+](=O)[O-] ZINC000074751534 454629659 /nfs/dbraw/zinc/62/96/59/454629659.db2.gz BWSJNTBITZZEDH-UHFFFAOYSA-N 1 0 340.427 3.399 20 5 EGBDRO CCCCCNC(=O)C1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000051801838 454638719 /nfs/dbraw/zinc/63/87/19/454638719.db2.gz ZQJOGWXERGVAPQ-UHFFFAOYSA-N 1 0 333.432 3.113 20 5 EGBDRO CCCC[N@H+](C)CC1CCN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000123636755 454659507 /nfs/dbraw/zinc/65/95/07/454659507.db2.gz LMCNZEXWGWQGMS-UHFFFAOYSA-N 1 0 347.459 3.487 20 5 EGBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000152982859 454749882 /nfs/dbraw/zinc/74/98/82/454749882.db2.gz ZGIYHALWKCBWCA-NWDGAFQWSA-N 1 0 349.456 3.062 20 5 EGBDRO CSc1ccc(C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000107601310 454764265 /nfs/dbraw/zinc/76/42/65/454764265.db2.gz VCICPSXYEBZWIN-AWEZNQCLSA-N 1 0 349.456 3.017 20 5 EGBDRO Cc1ccc(C(=O)NCC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1F ZINC000124856138 454776912 /nfs/dbraw/zinc/77/69/12/454776912.db2.gz DFIMTCABXWDZFU-CYBMUJFWSA-N 1 0 345.374 3.123 20 5 EGBDRO O=[N+]([O-])c1cc(C[N@@H+](CCO)C2CC2)ccc1Oc1ccc(F)cc1 ZINC000153617414 454813064 /nfs/dbraw/zinc/81/30/64/454813064.db2.gz PKPBBKIFEDDLOJ-UHFFFAOYSA-N 1 0 346.358 3.483 20 5 EGBDRO CC[NH+](CC)CC1CCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2)CC1 ZINC000139960071 454814047 /nfs/dbraw/zinc/81/40/47/454814047.db2.gz YUYQNPCEHAXWIB-UHFFFAOYSA-N 1 0 333.432 3.097 20 5 EGBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000153692114 454821270 /nfs/dbraw/zinc/82/12/70/454821270.db2.gz RNUBCGDPXGOQHV-AWEZNQCLSA-N 1 0 334.420 3.099 20 5 EGBDRO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000144843456 454851196 /nfs/dbraw/zinc/85/11/96/454851196.db2.gz SUUIXDDBFXBTQZ-PBHICJAKSA-N 1 0 347.459 3.420 20 5 EGBDRO CC[NH+](CC)CCN(CC(C)C)C(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000147891418 454867083 /nfs/dbraw/zinc/86/70/83/454867083.db2.gz CVUPPXDXEXVMRU-UHFFFAOYSA-N 1 0 335.448 3.343 20 5 EGBDRO CC[C@@H](C)C[N@H+](CC)CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000177846614 454913221 /nfs/dbraw/zinc/91/32/21/454913221.db2.gz CAUKZCOVKZMASZ-CYBMUJFWSA-N 1 0 337.420 3.300 20 5 EGBDRO C[S@](=O)C[C@@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000154710876 454922246 /nfs/dbraw/zinc/92/22/46/454922246.db2.gz XHOVSHLPHOTYNZ-VWVHRLGJSA-N 1 0 344.436 3.317 20 5 EGBDRO C[S@@](=O)C[C@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000154710564 454922295 /nfs/dbraw/zinc/92/22/95/454922295.db2.gz XHOVSHLPHOTYNZ-MUVOXAMGSA-N 1 0 344.436 3.317 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)n1 ZINC000178160313 454939809 /nfs/dbraw/zinc/93/98/09/454939809.db2.gz IYVLAKILHYBCGX-UHFFFAOYSA-N 1 0 344.390 3.150 20 5 EGBDRO Cc1nn(C)c(C)c1C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000151123837 454940829 /nfs/dbraw/zinc/94/08/29/454940829.db2.gz FPTONNCBDRMJSJ-KRWDZBQOSA-N 1 0 328.416 3.056 20 5 EGBDRO CCC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)CC1CC1 ZINC000114724160 454972352 /nfs/dbraw/zinc/97/23/52/454972352.db2.gz FMNWAFZKVRXSEC-UHFFFAOYSA-N 1 0 335.404 3.054 20 5 EGBDRO Cc1c(NC(=O)CC[N@@H+](C)[C@@H](C)c2ccccn2)cccc1[N+](=O)[O-] ZINC000128015659 455018536 /nfs/dbraw/zinc/01/85/36/455018536.db2.gz DNGPJSFXJIMANE-AWEZNQCLSA-N 1 0 342.399 3.320 20 5 EGBDRO C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)CC1CCOCC1 ZINC000156077976 455079651 /nfs/dbraw/zinc/07/96/51/455079651.db2.gz PKEKIGYSNWKFCL-UHFFFAOYSA-N 1 0 345.399 3.151 20 5 EGBDRO C[C@@H]([NH2+]Cc1cc(=O)oc2cc(O)ccc12)c1cccc([N+](=O)[O-])c1 ZINC000180423835 455166766 /nfs/dbraw/zinc/16/67/66/455166766.db2.gz DUOVDTHGYQZNLT-LLVKDONJSA-N 1 0 340.335 3.258 20 5 EGBDRO C[N@H+](CCc1nc(-c2ccccc2)no1)Cc1ccccc1[N+](=O)[O-] ZINC000172650067 455168256 /nfs/dbraw/zinc/16/82/56/455168256.db2.gz KYYNIBJWXJNNIT-UHFFFAOYSA-N 1 0 338.367 3.319 20 5 EGBDRO C[C@@H]([NH2+]CC(=O)NCCC1=CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000180435058 455169322 /nfs/dbraw/zinc/16/93/22/455169322.db2.gz ZRCAVGMMJWGTHX-CQSZACIVSA-N 1 0 331.416 3.252 20 5 EGBDRO C[C@@H](NC(=O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000180442732 455170931 /nfs/dbraw/zinc/17/09/31/455170931.db2.gz ZZMCATASSQKZEB-VXGBXAGGSA-N 1 0 333.413 3.184 20 5 EGBDRO COC(=O)C1CCC([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000264366575 455198691 /nfs/dbraw/zinc/19/86/91/455198691.db2.gz FWOGEHADPSVTDR-UHFFFAOYSA-N 1 0 326.780 3.070 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)Nc2cc(F)ccc2F)cc1[N+](=O)[O-] ZINC000181818203 455386119 /nfs/dbraw/zinc/38/61/19/455386119.db2.gz GKXUAFBTQDZFBF-NSHDSACASA-N 1 0 349.337 3.471 20 5 EGBDRO C[C@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000265867811 455396546 /nfs/dbraw/zinc/39/65/46/455396546.db2.gz UTIXPCGKXGYXGR-BBRMVZONSA-N 1 0 349.431 3.330 20 5 EGBDRO Cc1ccc([C@H](C)[N@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000182212901 455462266 /nfs/dbraw/zinc/46/22/66/455462266.db2.gz DTWCDIJSTSGGTN-RDJZCZTQSA-N 1 0 344.411 3.336 20 5 EGBDRO CCC(C)(C)[C@H]1CCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182233644 455467778 /nfs/dbraw/zinc/46/77/78/455467778.db2.gz UETZFJMLDHKXRR-WMLDXEAASA-N 1 0 336.432 3.235 20 5 EGBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000246364208 455477908 /nfs/dbraw/zinc/47/79/08/455477908.db2.gz FRFYMGVCQUDPAS-HUUCEWRRSA-N 1 0 348.447 3.075 20 5 EGBDRO CS[C@@H]1CCCC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000246426505 455488417 /nfs/dbraw/zinc/48/84/17/455488417.db2.gz CKCYRQOUXTWGAW-IUODEOHRSA-N 1 0 337.445 3.139 20 5 EGBDRO COc1cccc(N2CCC[N@H+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000185131346 455507097 /nfs/dbraw/zinc/50/70/97/455507097.db2.gz DMYDQMGMAFQKFT-UHFFFAOYSA-N 1 0 341.411 3.316 20 5 EGBDRO CC[N@H+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000267173707 455511138 /nfs/dbraw/zinc/51/11/38/455511138.db2.gz AIYZSJLTBFTBCM-LLVKDONJSA-N 1 0 342.237 3.135 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@H]3CC[C@H](CO)CC3)cs2)c1 ZINC000246982139 455540537 /nfs/dbraw/zinc/54/05/37/455540537.db2.gz CQLDGIZJAHHPMB-MQMHXKEQSA-N 1 0 347.440 3.359 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[NH+]2CCC(O)(c3ccccc3)CC2)cc1 ZINC000185478716 455564150 /nfs/dbraw/zinc/56/41/50/455564150.db2.gz AUQPXCCMXVFCPW-UHFFFAOYSA-N 1 0 326.396 3.121 20 5 EGBDRO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000247399051 455595120 /nfs/dbraw/zinc/59/51/20/455595120.db2.gz QYKCGLHHTFZBHP-BXUZGUMPSA-N 1 0 347.440 3.268 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]CC3(CO)CCCC3)o2)c1 ZINC000185808402 455626913 /nfs/dbraw/zinc/62/69/13/455626913.db2.gz YYFJVIRJGAFIIY-UHFFFAOYSA-N 1 0 330.384 3.497 20 5 EGBDRO CC(C)C[C@H]1OCCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000284089520 455635441 /nfs/dbraw/zinc/63/54/41/455635441.db2.gz LUTLTQLCVAXAHV-GDBMZVCRSA-N 1 0 337.376 3.186 20 5 EGBDRO COc1ccc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)cc1[N+](=O)[O-] ZINC000268285145 455640272 /nfs/dbraw/zinc/64/02/72/455640272.db2.gz QMFCHQABOKEVQY-GOEBONIOSA-N 1 0 346.383 3.285 20 5 EGBDRO Cc1cc(C)n(CCC[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)n1 ZINC000192605709 455652171 /nfs/dbraw/zinc/65/21/71/455652171.db2.gz BNNZJDPJTAKADB-GOSISDBHSA-N 1 0 328.416 3.465 20 5 EGBDRO CC[C@@H]1CC[C@H](C)[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000271510207 455664431 /nfs/dbraw/zinc/66/44/31/455664431.db2.gz KBMLVPHQOOPMSG-QWHCGFSZSA-N 1 0 335.404 3.195 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCCOCC1CCOCC1)CCC2 ZINC000192888279 455712693 /nfs/dbraw/zinc/71/26/93/455712693.db2.gz ZPOKEYALXXISHI-LJQANCHMSA-N 1 0 348.443 3.395 20 5 EGBDRO CCS[C@@H]1CCC[C@@H]1[NH2+][C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000284823308 455747151 /nfs/dbraw/zinc/74/71/51/455747151.db2.gz AFZYVVUDWZJBLR-OSAQELSMSA-N 1 0 337.445 3.186 20 5 EGBDRO Cc1cc(C)cc([C@@H](O)C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000285153980 455796898 /nfs/dbraw/zinc/79/68/98/455796898.db2.gz MHCXHTDJVMSFQU-ACJLOTCBSA-N 1 0 329.400 3.178 20 5 EGBDRO CC[NH+](CC)CCCNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000269204887 455811118 /nfs/dbraw/zinc/81/11/18/455811118.db2.gz ITTVMBFNKSMKKJ-UHFFFAOYSA-N 1 0 348.447 3.001 20 5 EGBDRO CCC[N@@H+]1CC[C@H](CNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000278328960 455819171 /nfs/dbraw/zinc/81/91/71/455819171.db2.gz IFEXVSILDIDINU-SNVBAGLBSA-N 1 0 332.326 3.152 20 5 EGBDRO C[C@@H]([NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000285306310 455821923 /nfs/dbraw/zinc/82/19/23/455821923.db2.gz SGYFASIDGHSVFJ-GHMZBOCLSA-N 1 0 330.344 3.497 20 5 EGBDRO C[NH+]1CCC(C)(CNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000278356919 455827778 /nfs/dbraw/zinc/82/77/78/455827778.db2.gz JZQDSFFBHNTUJD-UHFFFAOYSA-N 1 0 332.326 3.152 20 5 EGBDRO C[C@H]1C[C@@H](Nc2cc(C(F)(F)F)ncc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000278356813 455827929 /nfs/dbraw/zinc/82/79/29/455827929.db2.gz JYJCKZRULVIUON-DTWKUNHWSA-N 1 0 330.310 3.046 20 5 EGBDRO COc1ccc(C[N@H+](C)CCCN(C)Cc2ccco2)cc1[N+](=O)[O-] ZINC000285568959 455872309 /nfs/dbraw/zinc/87/23/09/455872309.db2.gz HTLHVOIUGOUUQV-UHFFFAOYSA-N 1 0 347.415 3.150 20 5 EGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC000296435345 455937703 /nfs/dbraw/zinc/93/77/03/455937703.db2.gz MAPKCCUWVJOFFH-LBPRGKRZSA-N 1 0 347.444 3.251 20 5 EGBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1ccc([N+](=O)[O-])c2cccnc21 ZINC000286186425 455996052 /nfs/dbraw/zinc/99/60/52/455996052.db2.gz AUTWHCFYXVNXAS-ZIAGYGMSSA-N 1 0 326.400 3.206 20 5 EGBDRO C[NH+](C)CCN(Cc1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000198394106 456006819 /nfs/dbraw/zinc/00/68/19/456006819.db2.gz VSHIFDLFTMNWOC-UHFFFAOYSA-N 1 0 342.399 3.191 20 5 EGBDRO C[C@H]1CCC[C@@H](CO)[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000272696766 456042897 /nfs/dbraw/zinc/04/28/97/456042897.db2.gz VJWMHDKICHALSJ-BBRMVZONSA-N 1 0 345.399 3.028 20 5 EGBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N1CCC([NH+]2CCCCC2)CC1 ZINC000286496349 456048634 /nfs/dbraw/zinc/04/86/34/456048634.db2.gz VQANMVYJGSMQFT-UHFFFAOYSA-N 1 0 331.416 3.252 20 5 EGBDRO C[NH+](C)[C@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000225452245 456084702 /nfs/dbraw/zinc/08/47/02/456084702.db2.gz PZRJBNPIGKRFAE-JQWIXIFHSA-N 1 0 329.347 3.481 20 5 EGBDRO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000281136610 456143747 /nfs/dbraw/zinc/14/37/47/456143747.db2.gz YXKWKZVAMUGQAB-JZXOWHBKSA-N 1 0 348.443 3.379 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[N@@H+](C(C)C)CC1 ZINC000289855014 456156886 /nfs/dbraw/zinc/15/68/86/456156886.db2.gz QQUPLBRBCNDVTR-UHFFFAOYSA-N 1 0 334.420 3.105 20 5 EGBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CN(C3CC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000271203325 456171880 /nfs/dbraw/zinc/17/18/80/456171880.db2.gz ZSHAHOBOKOVLOT-HEHGZKQESA-N 1 0 333.432 3.127 20 5 EGBDRO Cc1ccc(C(=O)NC[C@H]([NH3+])c2ccc(C(C)C)cc2)cc1[N+](=O)[O-] ZINC000236732535 456176158 /nfs/dbraw/zinc/17/61/58/456176158.db2.gz LROFKGICUTWCCF-KRWDZBQOSA-N 1 0 341.411 3.456 20 5 EGBDRO CC(C)c1ccc(C(=O)NC2CC[NH+](CC3CC3)CC2)cc1[N+](=O)[O-] ZINC000189064559 456216863 /nfs/dbraw/zinc/21/68/63/456216863.db2.gz QTPKLCVMVYSGRS-UHFFFAOYSA-N 1 0 345.443 3.322 20 5 EGBDRO CC[N@@H+]1CCCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1OC(F)F ZINC000302047191 456275746 /nfs/dbraw/zinc/27/57/46/456275746.db2.gz LMNNCRPLVXPDLZ-GFCCVEGCSA-N 1 0 329.347 3.483 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000275747188 456304033 /nfs/dbraw/zinc/30/40/33/456304033.db2.gz KIKWZVWKGQCVAF-OAHLLOKOSA-N 1 0 346.431 3.099 20 5 EGBDRO C[NH+](C)[C@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2OC(F)F)C1 ZINC000302166117 456304674 /nfs/dbraw/zinc/30/46/74/456304674.db2.gz RLWZACGTDLCHDG-QWRGUYRKSA-N 1 0 329.347 3.481 20 5 EGBDRO O=[N+]([O-])c1ccc(CNC[C@H]2CC[N@H+](Cc3ccccc3)C2)c(F)c1 ZINC000336791741 456310460 /nfs/dbraw/zinc/31/04/60/456310460.db2.gz OTIRFPBJCDGLDQ-MRXNPFEDSA-N 1 0 343.402 3.346 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1CN1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000352800103 456319510 /nfs/dbraw/zinc/31/95/10/456319510.db2.gz GSNMGNFOUOBWJS-RHSMWYFYSA-N 1 0 333.432 3.052 20 5 EGBDRO C[NH+](C)C1(CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CCC1 ZINC000275812088 456320022 /nfs/dbraw/zinc/32/00/22/456320022.db2.gz DKKKGHWOSNFHFH-UHFFFAOYSA-N 1 0 349.434 3.308 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000297955646 456333194 /nfs/dbraw/zinc/33/31/94/456333194.db2.gz XNKCMJBNNBKKOS-GOSISDBHSA-N 1 0 346.431 3.161 20 5 EGBDRO CCCC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C1CC1 ZINC000298015324 456344275 /nfs/dbraw/zinc/34/42/75/456344275.db2.gz ZMAVQISBPBVNCI-UHFFFAOYSA-N 1 0 335.404 3.197 20 5 EGBDRO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H]2C(C)C)c([N+](=O)[O-])c1 ZINC000298047568 456352583 /nfs/dbraw/zinc/35/25/83/456352583.db2.gz HMPJZSRHOCBBSS-OAHLLOKOSA-N 1 0 335.404 3.052 20 5 EGBDRO CC[NH+](CC)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000340301443 456372033 /nfs/dbraw/zinc/37/20/33/456372033.db2.gz OSPKHRQPBWRIKE-JTQLQIEISA-N 1 0 347.337 3.074 20 5 EGBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1ncc([N+](=O)[O-])s1 ZINC000281964714 456374844 /nfs/dbraw/zinc/37/48/44/456374844.db2.gz RBHOGMGFVBDWOH-TZMCWYRMSA-N 1 0 332.429 3.374 20 5 EGBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1cc(N)ccc1[N+](=O)[O-] ZINC000282151386 456426797 /nfs/dbraw/zinc/42/67/97/456426797.db2.gz FRMOWOXCDBPBOV-WMLDXEAASA-N 1 0 340.427 3.500 20 5 EGBDRO C[N@@H+]1CC[C@H]2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)[C@@H]2C1 ZINC000352985821 456429505 /nfs/dbraw/zinc/42/95/05/456429505.db2.gz LLLRZEDGVBWMFJ-KBXCAEBGSA-N 1 0 341.411 3.381 20 5 EGBDRO COc1cc(C[NH2+][C@@H]2CC2(C)C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000340421359 456450650 /nfs/dbraw/zinc/45/06/50/456450650.db2.gz VIZAWBJXIRCACZ-CYBMUJFWSA-N 1 0 348.321 3.433 20 5 EGBDRO CCC(CC)C[N@H+](CC)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000303655522 456475507 /nfs/dbraw/zinc/47/55/07/456475507.db2.gz VGOXRAOVOWNGOW-UHFFFAOYSA-N 1 0 337.420 3.300 20 5 EGBDRO CC(C)[C@@H]1CCC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000303648987 456475577 /nfs/dbraw/zinc/47/55/77/456475577.db2.gz SXEKKYLRPLKUKU-OAHLLOKOSA-N 1 0 333.432 3.316 20 5 EGBDRO CC[C@H](C)[NH2+][C@@H](CNc1nc2sccn2c1[N+](=O)[O-])c1ccco1 ZINC000343264798 456493824 /nfs/dbraw/zinc/49/38/24/456493824.db2.gz LWCZLQORPOCRAQ-QWRGUYRKSA-N 1 0 349.416 3.438 20 5 EGBDRO CC[N@@H+](Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])C[C@@H](C)OC ZINC000291048924 456509859 /nfs/dbraw/zinc/50/98/59/456509859.db2.gz HXFVZYSORRKTJE-SNVBAGLBSA-N 1 0 348.346 3.062 20 5 EGBDRO CO[C@@H]1C[C@H](CN(C)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])[N@H+](C)C1 ZINC000343298937 456515776 /nfs/dbraw/zinc/51/57/76/456515776.db2.gz ACFNDQXXMNJNOU-GHMZBOCLSA-N 1 0 348.230 3.057 20 5 EGBDRO C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc2n[nH]cc2c1 ZINC000353165960 456535160 /nfs/dbraw/zinc/53/51/60/456535160.db2.gz BUOWWGUPHRJAKW-JTQLQIEISA-N 1 0 336.355 3.198 20 5 EGBDRO CCO[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000353183137 456544400 /nfs/dbraw/zinc/54/44/00/456544400.db2.gz HCSCDCMTXZGDEO-MAUKXSAKSA-N 1 0 346.383 3.138 20 5 EGBDRO C[NH+]1CCC([C@@H]2CCN(c3nc4ccccc4cc3[N+](=O)[O-])C2)CC1 ZINC000276690367 456552053 /nfs/dbraw/zinc/55/20/53/456552053.db2.gz WCLRZJYAOLFEOS-MRXNPFEDSA-N 1 0 340.427 3.311 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@H]2O)c1 ZINC000291171064 456553502 /nfs/dbraw/zinc/55/35/02/456553502.db2.gz NGLCZPXNFSMDBT-WJFTUGDTSA-N 1 0 348.443 3.034 20 5 EGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1ncnn1C(C)(C)C ZINC000282678672 456590723 /nfs/dbraw/zinc/59/07/23/456590723.db2.gz JOUYJMRVFYCAPX-CYBMUJFWSA-N 1 0 331.420 3.052 20 5 EGBDRO C[C@@H](c1nc(-c2ccc(N)c([N+](=O)[O-])c2)no1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000276901190 456615305 /nfs/dbraw/zinc/61/53/05/456615305.db2.gz JCLGKHLITMSKQX-AXFHLTTASA-N 1 0 331.376 3.161 20 5 EGBDRO CC(C)[N@@H+]1CC[C@@H](CNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000322979484 456652721 /nfs/dbraw/zinc/65/27/21/456652721.db2.gz YTFHSMLKRJTFCQ-JTQLQIEISA-N 1 0 332.326 3.151 20 5 EGBDRO Cc1nc(CCNc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)c(C)o1 ZINC000340774397 456679045 /nfs/dbraw/zinc/67/90/45/456679045.db2.gz GZYJUQVYVXSERH-UHFFFAOYSA-N 1 0 326.356 3.133 20 5 EGBDRO C[C@H]1CCC[C@](CNc2ncnc3ccc([N+](=O)[O-])cc32)([NH+](C)C)C1 ZINC000326929330 456702566 /nfs/dbraw/zinc/70/25/66/456702566.db2.gz KDZYTEJEULOSMA-UGSOOPFHSA-N 1 0 343.431 3.460 20 5 EGBDRO CCS[C@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000348477873 456704137 /nfs/dbraw/zinc/70/41/37/456704137.db2.gz KQUYLBACNAPRMR-JSGCOSHPSA-N 1 0 337.445 3.106 20 5 EGBDRO C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)N1c2ccccc2C[C@H]1C ZINC000343561045 456707026 /nfs/dbraw/zinc/70/70/26/456707026.db2.gz HUMKGZSAPCJZSY-ZIAGYGMSSA-N 1 0 339.395 3.051 20 5 EGBDRO CC(C)n1cnnc1[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000283088617 456707974 /nfs/dbraw/zinc/70/79/74/456707974.db2.gz LCWXSGTXMWPWLP-AWEZNQCLSA-N 1 0 347.394 3.286 20 5 EGBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000340902065 456750334 /nfs/dbraw/zinc/75/03/34/456750334.db2.gz LSCIRZCIZJIWOE-WFASDCNBSA-N 1 0 331.420 3.223 20 5 EGBDRO COc1ccc(-c2ccc(C[N@H+](C)[C@@H]3CCC[C@H]3O)o2)c([N+](=O)[O-])c1 ZINC000348562734 456767097 /nfs/dbraw/zinc/76/70/97/456767097.db2.gz ZYZSVDNNCMUVJF-NVXWUHKLSA-N 1 0 346.383 3.209 20 5 EGBDRO C[NH+](C)C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000338352050 456782320 /nfs/dbraw/zinc/78/23/20/456782320.db2.gz FUDPRUWCLTXUMU-INIZCTEOSA-N 1 0 346.362 3.158 20 5 EGBDRO C[C@@H]1CC[C@@H](C[NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C1 ZINC000353592022 456788982 /nfs/dbraw/zinc/78/89/82/456788982.db2.gz ZHQQYDMZKJKTDG-CPUCHLNUSA-N 1 0 328.416 3.444 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1CN(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000353658503 456838262 /nfs/dbraw/zinc/83/82/62/456838262.db2.gz WARLUNMGEXHHIT-INIZCTEOSA-N 1 0 335.448 3.300 20 5 EGBDRO Cc1ccc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1C ZINC000353737317 456880151 /nfs/dbraw/zinc/88/01/51/456880151.db2.gz ILSPKXPFKHGRNA-MRXNPFEDSA-N 1 0 326.400 3.293 20 5 EGBDRO CC[C@H]([NH2+][C@@H]1CCC(=O)N[C@@H]1C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000353788520 456906018 /nfs/dbraw/zinc/90/60/18/456906018.db2.gz BNWBBJBOPKWBDG-UXLLHSPISA-N 1 0 333.432 3.329 20 5 EGBDRO C[C@@H]1CCC[C@](CNC(=O)Nc2ccc([N+](=O)[O-])cc2)([NH+](C)C)C1 ZINC000339102540 456941124 /nfs/dbraw/zinc/94/11/24/456941124.db2.gz MDZYOTSVSGMMFC-DYVFJYSZSA-N 1 0 334.420 3.227 20 5 EGBDRO C[C@H](CCNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)[NH+]1CCCCC1 ZINC000345755509 456991807 /nfs/dbraw/zinc/99/18/07/456991807.db2.gz TWRGHIFSRIEWGF-CYBMUJFWSA-N 1 0 344.415 3.070 20 5 EGBDRO COc1cc(C[N@@H+]2CC[C@@H]2Cc2ccccc2)c([N+](=O)[O-])cc1OC ZINC000353998608 456995607 /nfs/dbraw/zinc/99/56/07/456995607.db2.gz WOFWADSBEUPJOO-MRXNPFEDSA-N 1 0 342.395 3.429 20 5 EGBDRO CC1CCC([N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C2CC2)CC1 ZINC000339222097 456999361 /nfs/dbraw/zinc/99/93/61/456999361.db2.gz RKYBVYWPSNGMKJ-JMLCCBQJSA-N 1 0 348.443 3.378 20 5 EGBDRO CC[C@@H](C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)[NH+](CC)CC ZINC000359671996 457109282 /nfs/dbraw/zinc/10/92/82/457109282.db2.gz CVPKTWFYOYGNMB-KRWDZBQOSA-N 1 0 333.432 3.206 20 5 EGBDRO Cc1c(CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000331131124 457136169 /nfs/dbraw/zinc/13/61/69/457136169.db2.gz QDBHUVWAPJAOPI-QGZVFWFLSA-N 1 0 333.432 3.030 20 5 EGBDRO CC(C)CC[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CCCC1 ZINC000346780303 457165723 /nfs/dbraw/zinc/16/57/23/457165723.db2.gz PKQDMFYGBMEAOU-UHFFFAOYSA-N 1 0 333.432 3.484 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H](CO)c1ccccc1Cl ZINC000342272376 457203013 /nfs/dbraw/zinc/20/30/13/457203013.db2.gz DWMKPFMKAFSSJE-AWEZNQCLSA-N 1 0 334.803 3.422 20 5 EGBDRO C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCC[N@@H+]2CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000331563634 457207867 /nfs/dbraw/zinc/20/78/67/457207867.db2.gz JGFRRNGAYYUPRG-OAOYMFHYSA-N 1 0 348.443 3.235 20 5 EGBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000354417754 457209251 /nfs/dbraw/zinc/20/92/51/457209251.db2.gz CNWIWCXNZKZFOU-YPMHNXCESA-N 1 0 339.823 3.193 20 5 EGBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000347072554 457216252 /nfs/dbraw/zinc/21/62/52/457216252.db2.gz XXTHYOWPUVVNDI-SWLSCSKDSA-N 1 0 345.424 3.222 20 5 EGBDRO C[C@@H]1CN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@@H](C)[NH+]1C ZINC000354442631 457225430 /nfs/dbraw/zinc/22/54/30/457225430.db2.gz IAIDQBULACIWND-CHWSQXEVSA-N 1 0 346.456 3.243 20 5 EGBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000331722231 457238469 /nfs/dbraw/zinc/23/84/69/457238469.db2.gz KBFDJCTWVCVBIJ-GOSISDBHSA-N 1 0 345.443 3.350 20 5 EGBDRO CCC(CC)C[N@H+](CC)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000342347406 457249574 /nfs/dbraw/zinc/24/95/74/457249574.db2.gz SYWMGEQKALGQQI-UHFFFAOYSA-N 1 0 342.461 3.127 20 5 EGBDRO Cc1cc(C(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)cc([N+](=O)[O-])c1 ZINC000342373399 457263595 /nfs/dbraw/zinc/26/35/95/457263595.db2.gz MFLQATJINILJIY-OAHLLOKOSA-N 1 0 341.411 3.154 20 5 EGBDRO Cc1cc(C(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000342404890 457283341 /nfs/dbraw/zinc/28/33/41/457283341.db2.gz AGONTRXVPQAJQX-OAHLLOKOSA-N 1 0 341.411 3.154 20 5 EGBDRO CCOc1ccc(NC(=O)C[N@H+](C)[C@@H](C)C2CCC2)c([N+](=O)[O-])c1 ZINC000357045320 457296132 /nfs/dbraw/zinc/29/61/32/457296132.db2.gz WKIMWOCUPUQSKG-LBPRGKRZSA-N 1 0 335.404 3.052 20 5 EGBDRO O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc2c[nH+]cn2c1 ZINC000339843317 457306569 /nfs/dbraw/zinc/30/65/69/457306569.db2.gz KSLTUWNYZLIMGM-UHFFFAOYSA-N 1 0 348.265 3.096 20 5 EGBDRO CCN(CCC[NH+](CC)CC)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000357116668 457331636 /nfs/dbraw/zinc/33/16/36/457331636.db2.gz MAVVQMDZLQWZRG-UHFFFAOYSA-N 1 0 341.839 3.442 20 5 EGBDRO C[C@@H](CNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[N@@H+]1CCCC[C@@H]1C ZINC000347296569 457337548 /nfs/dbraw/zinc/33/75/48/457337548.db2.gz FVMSAFBGZCNUJQ-RYUDHWBXSA-N 1 0 338.383 3.118 20 5 EGBDRO C[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)C1(c2ccccc2)CCCC1 ZINC000360799617 457360299 /nfs/dbraw/zinc/36/02/99/457360299.db2.gz VGYKURXWEPVUML-AWEZNQCLSA-N 1 0 328.416 3.318 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000332407152 457363563 /nfs/dbraw/zinc/36/35/63/457363563.db2.gz IENISBWWOKHKIV-CABCVRRESA-N 1 0 346.431 3.065 20 5 EGBDRO CCOCCO[C@@H]1CC[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000347347146 457366436 /nfs/dbraw/zinc/36/64/36/457366436.db2.gz VTWYPIILGGYJCH-HAZIXKIPSA-N 1 0 334.416 3.126 20 5 EGBDRO C[N@H+](CC[C@@H]1CCCO1)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000342603538 457394717 /nfs/dbraw/zinc/39/47/17/457394717.db2.gz MOWBPVJJMPFVEI-INIZCTEOSA-N 1 0 331.372 3.251 20 5 EGBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000360896166 457418239 /nfs/dbraw/zinc/41/82/39/457418239.db2.gz DITZFPQGKCBPRV-HOCLYGCPSA-N 1 0 349.479 3.210 20 5 EGBDRO O=C(NCCC[NH+]1CCCCCC1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000357409301 457504101 /nfs/dbraw/zinc/50/41/01/457504101.db2.gz CBKRLOYJKJJCIF-UHFFFAOYSA-N 1 0 345.399 3.337 20 5 EGBDRO C[N@H+](C[C@H](O)COc1ccc(-c2ccccc2)cc1[N+](=O)[O-])C1CC1 ZINC000357457091 457539961 /nfs/dbraw/zinc/53/99/61/457539961.db2.gz VERABISDZMPGFU-KRWDZBQOSA-N 1 0 342.395 3.096 20 5 EGBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(c2c3c(ccc2[N+](=O)[O-])NCC3)C1 ZINC000408406058 457568376 /nfs/dbraw/zinc/56/83/76/457568376.db2.gz PIFFXHQYXKYVMD-ZNMIVQPWSA-N 1 0 344.459 3.404 20 5 EGBDRO CCOc1ccc(NC(=O)C[N@H+]2[C@H](CC)CC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000357526897 457579543 /nfs/dbraw/zinc/57/95/43/457579543.db2.gz GXUSVQGMTXNTCZ-QWHCGFSZSA-N 1 0 335.404 3.195 20 5 EGBDRO CC(C)[NH+](CCN(C)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)C(C)C ZINC000357533932 457582966 /nfs/dbraw/zinc/58/29/66/457582966.db2.gz DHZUTCQXJMANJN-UHFFFAOYSA-N 1 0 346.431 3.267 20 5 EGBDRO O=[N+]([O-])c1cnn(CC[NH+](Cc2ccccc2)Cc2ccccc2)c1 ZINC000357675135 457651117 /nfs/dbraw/zinc/65/11/17/457651117.db2.gz NWIIMRLPZMDKJK-UHFFFAOYSA-N 1 0 336.395 3.494 20 5 EGBDRO C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@H](O)Cc1ccccc1 ZINC000433056481 457655128 /nfs/dbraw/zinc/65/51/28/457655128.db2.gz YXKWZRHKCOUREN-MRXNPFEDSA-N 1 0 334.803 3.284 20 5 EGBDRO Cc1cnc(NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000361259616 457669889 /nfs/dbraw/zinc/66/98/89/457669889.db2.gz CFRWKAGPHKAMOA-INIZCTEOSA-N 1 0 326.400 3.375 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](C)C[C@@H]1[C@@H](C)O ZINC000443341422 457749947 /nfs/dbraw/zinc/74/99/47/457749947.db2.gz IQISOAVRVGBUTF-CKEIUWERSA-N 1 0 336.432 3.363 20 5 EGBDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cc4c(cccc4F)[nH]3)CC2)n1 ZINC000425992420 457755752 /nfs/dbraw/zinc/75/57/52/457755752.db2.gz DEZSYEGXFJYUQM-UHFFFAOYSA-N 1 0 343.362 3.249 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]Cc1cn2ccsc2n1)C1CC1 ZINC000358081106 457772505 /nfs/dbraw/zinc/77/25/05/457772505.db2.gz KQLUHBKIAGQSDQ-OAHLLOKOSA-N 1 0 342.424 3.415 20 5 EGBDRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000361532235 457776452 /nfs/dbraw/zinc/77/64/52/457776452.db2.gz WQYHLHIYHWZJRT-GJZGRUSLSA-N 1 0 348.447 3.220 20 5 EGBDRO C[C@@H]([NH2+]CCCN(C(=O)C1CCC1)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000358089265 457779394 /nfs/dbraw/zinc/77/93/94/457779394.db2.gz SZNNAVLCZJDOHQ-CQSZACIVSA-N 1 0 345.443 3.427 20 5 EGBDRO CCCc1nc(C)c(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)o1 ZINC000426350793 457808578 /nfs/dbraw/zinc/80/85/78/457808578.db2.gz YVTBYPNXXUKTRH-UONOGXRCSA-N 1 0 347.419 3.314 20 5 EGBDRO COc1ccc(NC(=O)CC[N@H+](C)C2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000411139954 457810738 /nfs/dbraw/zinc/81/07/38/457810738.db2.gz XBSZXDJBIUSYAN-UHFFFAOYSA-N 1 0 349.431 3.443 20 5 EGBDRO O=C(CC[N@@H+]1CCC[C@@H]1c1ccc[nH]1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411342614 457861628 /nfs/dbraw/zinc/86/16/28/457861628.db2.gz SUHPYTLDSUPAMK-MRXNPFEDSA-N 1 0 328.372 3.089 20 5 EGBDRO C[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC[C@H]1C ZINC000411409828 457878518 /nfs/dbraw/zinc/87/85/18/457878518.db2.gz RIZKRVAWWYGXNC-KJWYOANISA-N 1 0 345.443 3.077 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(c2c[nH]nc2C)CC1 ZINC000375382044 457905810 /nfs/dbraw/zinc/90/58/10/457905810.db2.gz UQDOJMORVHTLGR-UHFFFAOYSA-N 1 0 344.415 3.405 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCOC3(CCOCC3)C2)cc1[N+](=O)[O-] ZINC000358287183 457912051 /nfs/dbraw/zinc/91/20/51/457912051.db2.gz AQINOOWWHJBVJX-GDBMZVCRSA-N 1 0 334.416 3.282 20 5 EGBDRO Cc1c(C(=O)N(CC[NH+](C)C)Cc2ccsc2)cccc1[N+](=O)[O-] ZINC000458209335 457970209 /nfs/dbraw/zinc/97/02/09/457970209.db2.gz YLWXUMSJXJULMQ-UHFFFAOYSA-N 1 0 347.440 3.169 20 5 EGBDRO CCn1nccc1C1CC[NH+](Cc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000434791300 458052091 /nfs/dbraw/zinc/05/20/91/458052091.db2.gz CFPCFELUPILCRZ-UHFFFAOYSA-N 1 0 344.415 3.199 20 5 EGBDRO Cc1ccc([C@@H](C)NC(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000458495651 458070104 /nfs/dbraw/zinc/07/01/04/458070104.db2.gz HSJZSAGYUJJDJP-ZBFHGGJFSA-N 1 0 348.447 3.088 20 5 EGBDRO CCO[C@H]1C[C@H]([N@H+](C)Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1(C)C ZINC000362328903 458108408 /nfs/dbraw/zinc/10/84/08/458108408.db2.gz XAPWKXKOKCHQPI-HOTGVXAUSA-N 1 0 340.395 3.378 20 5 EGBDRO CC[C@@]1(O)CC[N@H+](Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C1 ZINC000428450216 458146559 /nfs/dbraw/zinc/14/65/59/458146559.db2.gz WSKVCNIKTMUJGG-GOSISDBHSA-N 1 0 346.383 3.210 20 5 EGBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000435591427 458167909 /nfs/dbraw/zinc/16/79/09/458167909.db2.gz FGOUULVURPQTDA-HNNXBMFYSA-N 1 0 335.452 3.329 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000429016475 458257755 /nfs/dbraw/zinc/25/77/55/458257755.db2.gz AEAHQWMVUIWVQN-HDMKZQKVSA-N 1 0 347.459 3.156 20 5 EGBDRO C[C@@H](C1CCCCC1)[N@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000447398129 458293307 /nfs/dbraw/zinc/29/33/07/458293307.db2.gz QHADZFVZRPOKNH-AWEZNQCLSA-N 1 0 345.443 3.385 20 5 EGBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCc2cccc(F)c2)n1 ZINC000447510414 458301887 /nfs/dbraw/zinc/30/18/87/458301887.db2.gz PDMRXDFUHGPRGT-CVEARBPZSA-N 1 0 332.379 3.246 20 5 EGBDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000447517111 458302819 /nfs/dbraw/zinc/30/28/19/458302819.db2.gz JLSLCKJTRJLXGM-CVEARBPZSA-N 1 0 330.388 3.073 20 5 EGBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCCOc2ccccc2)n1 ZINC000447532992 458306544 /nfs/dbraw/zinc/30/65/44/458306544.db2.gz YFMULLMVBKNMOT-SJORKVTESA-N 1 0 344.415 3.334 20 5 EGBDRO Cc1ccsc1CC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447572229 458314167 /nfs/dbraw/zinc/31/41/67/458314167.db2.gz AJFHCZXFUFKUID-ZIAGYGMSSA-N 1 0 334.445 3.477 20 5 EGBDRO COc1cc(C)cc(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000447585127 458316079 /nfs/dbraw/zinc/31/60/79/458316079.db2.gz IJBLCMVURCPMAU-DLBZAZTESA-N 1 0 344.415 3.382 20 5 EGBDRO Cc1cccc(C[C@@H](CO)[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000447599778 458319516 /nfs/dbraw/zinc/31/95/16/458319516.db2.gz YREGHTKJMFDXES-FXAWDEMLSA-N 1 0 340.423 3.474 20 5 EGBDRO Cc1cccc([C@H](C)[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)c1 ZINC000459512340 458395963 /nfs/dbraw/zinc/39/59/63/458395963.db2.gz QPYATLSRCZWLBB-HNNXBMFYSA-N 1 0 326.400 3.181 20 5 EGBDRO C[N@@H+]1CC[C@]2(CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)C2)C1 ZINC000430133680 458408217 /nfs/dbraw/zinc/40/82/17/458408217.db2.gz QARYXSKWMAHFHC-IBGZPJMESA-N 1 0 341.411 3.382 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1N[C@@H]1CC[N@H+](Cc3ccccc3)C1)CCN2 ZINC000430494643 458454167 /nfs/dbraw/zinc/45/41/67/458454167.db2.gz VQJTYLZDELYZSN-OAHLLOKOSA-N 1 0 338.411 3.249 20 5 EGBDRO CO[C@@H]1C[C@@H]([NH2+]Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C12CCC2 ZINC000459738282 458462885 /nfs/dbraw/zinc/46/28/85/458462885.db2.gz AFSXDESBKJIOJX-HZPDHXFCSA-N 1 0 343.383 3.297 20 5 EGBDRO CC(C)c1ccc(C(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000423695955 458472428 /nfs/dbraw/zinc/47/24/28/458472428.db2.gz CDLQDDWHLLANEM-HZPDHXFCSA-N 1 0 345.443 3.180 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cn2ccsc2n1 ZINC000468599408 458528579 /nfs/dbraw/zinc/52/85/79/458528579.db2.gz JAODYFIZLJJZAL-GHXNOFRVSA-N 1 0 328.397 3.497 20 5 EGBDRO C[C@@H]1C[C@@H](c2cccnc2)[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000373582939 458541381 /nfs/dbraw/zinc/54/13/81/458541381.db2.gz LVYDKMXKUGJKGS-BVGQSLNGSA-N 1 0 327.384 3.106 20 5 EGBDRO COC(=O)[C@@](C)(C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000468905118 458543396 /nfs/dbraw/zinc/54/33/96/458543396.db2.gz HCMIJBBRTYMUFS-KUHUBIRLSA-N 1 0 342.395 3.376 20 5 EGBDRO [NH3+][C@H](CCC(=O)NCc1ccc([N+](=O)[O-])cc1)CC1CCCCC1 ZINC000424088285 458555834 /nfs/dbraw/zinc/55/58/34/458555834.db2.gz TXXCQLAMAYMKGU-MRXNPFEDSA-N 1 0 333.432 3.289 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[NH2+]C2CC(OCc3ccccc3)C2)cc1 ZINC000493897067 458597507 /nfs/dbraw/zinc/59/75/07/458597507.db2.gz LMPZKRKTPDAWEZ-UHFFFAOYSA-N 1 0 326.396 3.475 20 5 EGBDRO COc1cc(N2CC[NH+](CC3CCCCC3)CC2)ccc1[N+](=O)[O-] ZINC000462379362 458615218 /nfs/dbraw/zinc/61/52/18/458615218.db2.gz JIIIGVBXXMTYOB-UHFFFAOYSA-N 1 0 333.432 3.306 20 5 EGBDRO CC(C)(C(=O)NCC[N@@H+]1CCCC(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000470278828 458627778 /nfs/dbraw/zinc/62/77/78/458627778.db2.gz PRZVYZGMSNCFGD-UHFFFAOYSA-N 1 0 347.459 3.111 20 5 EGBDRO CC[NH+](CC)[C@@H](CNc1cc(C)c([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000470874292 458659064 /nfs/dbraw/zinc/65/90/64/458659064.db2.gz UQECYPDGHRMLSY-QGZVFWFLSA-N 1 0 342.443 3.085 20 5 EGBDRO O=[N+]([O-])c1ccc(CN2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000471003205 458674155 /nfs/dbraw/zinc/67/41/55/458674155.db2.gz CNYXJUBXZMREKV-KDURUIRLSA-N 1 0 337.423 3.159 20 5 EGBDRO O=[N+]([O-])c1ccc(OCC[N@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@H]2O)cc1 ZINC000463210366 458681995 /nfs/dbraw/zinc/68/19/95/458681995.db2.gz BAWGLJVHJPQVPT-IPMKNSEASA-N 1 0 348.443 3.379 20 5 EGBDRO COc1ccc(-c2ccc(C[NH2+][C@H]3C[C@@H](O)C3(C)C)o2)c([N+](=O)[O-])c1 ZINC000494469394 458684318 /nfs/dbraw/zinc/68/43/18/458684318.db2.gz CNJZFZUHDVRMRU-DLBZAZTESA-N 1 0 346.383 3.112 20 5 EGBDRO Cc1c(C(=O)NC[C@H]2CCCC[N@H+]2CC(C)C)cccc1[N+](=O)[O-] ZINC000439700532 458743599 /nfs/dbraw/zinc/74/35/99/458743599.db2.gz XULFUCOTBKUOIS-OAHLLOKOSA-N 1 0 333.432 3.144 20 5 EGBDRO CCC[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000548160542 458846820 /nfs/dbraw/zinc/84/68/20/458846820.db2.gz HDXKOHYWOWMOJX-OWCLPIDISA-N 1 0 336.432 3.283 20 5 EGBDRO CCC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000548160477 458847255 /nfs/dbraw/zinc/84/72/55/458847255.db2.gz TVRXPKWSCSPCIT-QGPMSJSTSA-N 1 0 336.432 3.283 20 5 EGBDRO COCC[N@H+](CCOc1ccc(F)cc1)Cc1cccc([N+](=O)[O-])c1 ZINC000518223617 458850090 /nfs/dbraw/zinc/85/00/90/458850090.db2.gz TVLOZOHVPRZXGH-UHFFFAOYSA-N 1 0 348.374 3.261 20 5 EGBDRO CCOc1ccc(NC(=O)C[NH2+]C2[C@H](C)CCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000518439632 458867643 /nfs/dbraw/zinc/86/76/43/458867643.db2.gz KKKFICRVVBNLBB-CHWSQXEVSA-N 1 0 349.431 3.346 20 5 EGBDRO COC(=O)N1CCC[C@H]([C@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000495560870 458883304 /nfs/dbraw/zinc/88/33/04/458883304.db2.gz SLAWSOJWMNZAQM-IPYPFGDCSA-N 1 0 335.404 3.112 20 5 EGBDRO CCC[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000466482575 458901871 /nfs/dbraw/zinc/90/18/71/458901871.db2.gz NTRVBHWMJLOEDL-AWEZNQCLSA-N 1 0 349.431 3.444 20 5 EGBDRO C[NH+](C)Cc1ccc(-c2noc(Cc3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000531348285 458903255 /nfs/dbraw/zinc/90/32/55/458903255.db2.gz KEOZYHCXUINNRK-UHFFFAOYSA-N 1 0 338.367 3.297 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000475643778 458956345 /nfs/dbraw/zinc/95/63/45/458956345.db2.gz XRDLAMBTTCIFFD-WFASDCNBSA-N 1 0 348.447 3.454 20 5 EGBDRO C[C@@H](O)[C@@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000576960020 458956690 /nfs/dbraw/zinc/95/66/90/458956690.db2.gz FEDMDHTVFKGMKE-GHMZBOCLSA-N 1 0 332.322 3.206 20 5 EGBDRO COc1ccc(CC[C@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])cc1O ZINC000468009192 458995732 /nfs/dbraw/zinc/99/57/32/458995732.db2.gz JJHPSVIQDNVJRZ-AWEZNQCLSA-N 1 0 344.411 3.462 20 5 EGBDRO C[NH+](C)CCNC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442425433 459008501 /nfs/dbraw/zinc/00/85/01/459008501.db2.gz QRMNVMTXRSKDFK-UHFFFAOYSA-N 1 0 345.424 3.037 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCCC[C@@H]1N1CCOCC1 ZINC000531995375 459014424 /nfs/dbraw/zinc/01/44/24/459014424.db2.gz UXBYDRXQJRKZGI-SNRMKQJTSA-N 1 0 347.459 3.197 20 5 EGBDRO CC(C)(C)[N@@H+]1CCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000520150304 459034185 /nfs/dbraw/zinc/03/41/85/459034185.db2.gz ASSPULVQEIJGEN-UHFFFAOYSA-N 1 0 345.399 3.287 20 5 EGBDRO COc1ccc([C@@H](CCO)[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000594500877 459063066 /nfs/dbraw/zinc/06/30/66/459063066.db2.gz BWJDCGRTPUREGR-QZTJIDSGSA-N 1 0 342.395 3.304 20 5 EGBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]Cc3cc(O)cc(F)c3)c2c1 ZINC000557499220 459078040 /nfs/dbraw/zinc/07/80/40/459078040.db2.gz NBOMFUKREVQGQR-UHFFFAOYSA-N 1 0 329.331 3.253 20 5 EGBDRO C[C@H](C(=O)Nc1cccc2c1CN(C)C2)c1cccc([N+](=O)[O-])c1 ZINC000567323556 459084914 /nfs/dbraw/zinc/08/49/14/459084914.db2.gz UJMSYSILEYMJOV-LBPRGKRZSA-N 1 0 325.368 3.282 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+]C1(c2ccc(F)cc2)CC1 ZINC000532723821 459135877 /nfs/dbraw/zinc/13/58/77/459135877.db2.gz DAXMTNAWGRMONI-UHFFFAOYSA-N 1 0 343.358 3.260 20 5 EGBDRO COC(=O)N1CCC([C@@H](C)[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000496338928 459155915 /nfs/dbraw/zinc/15/59/15/459155915.db2.gz FLQGIXVBGIDOAH-MLGOLLRUSA-N 1 0 347.415 3.039 20 5 EGBDRO CCCN(CC[NH+]1CCCCC1)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000558461165 459163027 /nfs/dbraw/zinc/16/30/27/459163027.db2.gz WYHIFBPLWGUVNG-UHFFFAOYSA-N 1 0 348.447 3.002 20 5 EGBDRO CC[C@@H](C)[C@@H](C)[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CC1 ZINC000532963210 459166330 /nfs/dbraw/zinc/16/63/30/459166330.db2.gz VTSLOFAXYNMRGL-ZIAGYGMSSA-N 1 0 345.443 3.383 20 5 EGBDRO CN(CCCC[NH+](C)C)C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000590671017 459177915 /nfs/dbraw/zinc/17/79/15/459177915.db2.gz QVDSEPJVAHKQAS-UHFFFAOYSA-N 1 0 347.337 3.027 20 5 EGBDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1ccc(O[C@@H]2CCOC2)cc1 ZINC000594929427 459179683 /nfs/dbraw/zinc/17/96/83/459179683.db2.gz JPDSQLXDKZWRDU-GOSISDBHSA-N 1 0 342.395 3.095 20 5 EGBDRO C[S@](=O)[C@H]1CCC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000594961268 459194046 /nfs/dbraw/zinc/19/40/46/459194046.db2.gz MLHXNTGQBCYBDX-ZZPLEAIBSA-N 1 0 330.837 3.028 20 5 EGBDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000590754139 459204435 /nfs/dbraw/zinc/20/44/35/459204435.db2.gz SOQFVTXEAUNDGY-YPMHNXCESA-N 1 0 346.305 3.045 20 5 EGBDRO CC1(C)[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@H]2CCCO[C@H]21 ZINC000590756328 459207397 /nfs/dbraw/zinc/20/73/97/459207397.db2.gz OJZNKOGQWPFWHW-HFBAOOFYSA-N 1 0 331.372 3.029 20 5 EGBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+][C@@H]1CC[C@@H]1c1ccccc1)OCCO2 ZINC000594996191 459210395 /nfs/dbraw/zinc/21/03/95/459210395.db2.gz XGHKWSXRBGZFAN-HZPDHXFCSA-N 1 0 340.379 3.402 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCc1ccc2c(c1)OCO2 ZINC000595003992 459211605 /nfs/dbraw/zinc/21/16/05/459211605.db2.gz MHYJMSKBLQWICA-LBPRGKRZSA-N 1 0 344.367 3.225 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H](CO)c1ccccc1 ZINC000595012682 459215127 /nfs/dbraw/zinc/21/51/27/459215127.db2.gz NNZLCAUBEZUFPO-ZFWWWQNUSA-N 1 0 330.384 3.030 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H](C)Cn1ccnc1C ZINC000595015255 459216325 /nfs/dbraw/zinc/21/63/25/459216325.db2.gz ZBYLEQNKKZOVEU-CHWSQXEVSA-N 1 0 332.404 3.095 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](CO)[C@@H](C)c1ccccc1 ZINC000595020507 459218274 /nfs/dbraw/zinc/21/82/74/459218274.db2.gz ZWZWXIRKRSXPJO-DEYYWGMASA-N 1 0 344.411 3.419 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCC1(C[NH+](C)C)CCCC1 ZINC000595031430 459221674 /nfs/dbraw/zinc/22/16/74/459221674.db2.gz GOTWXOSJVDELOC-CQSZACIVSA-N 1 0 335.448 3.376 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H](c1ccnn1C)C(C)C ZINC000595039404 459225286 /nfs/dbraw/zinc/22/52/86/459225286.db2.gz DXQIHTMSFCBTNQ-XJKSGUPXSA-N 1 0 346.431 3.427 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H]1COc2ccccc21 ZINC000595053345 459229338 /nfs/dbraw/zinc/22/93/38/459229338.db2.gz XOMGFHLJWMZDND-QWHCGFSZSA-N 1 0 328.368 3.430 20 5 EGBDRO CC(C)(C)N1CC[C@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000595057457 459231012 /nfs/dbraw/zinc/23/10/12/459231012.db2.gz XIEBDHSLLRNVKE-DLBZAZTESA-N 1 0 331.460 3.378 20 5 EGBDRO CCC1CCC([N@H+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 ZINC000533447067 459237243 /nfs/dbraw/zinc/23/72/43/459237243.db2.gz UQEHYSHWXFVEIS-UHFFFAOYSA-N 1 0 345.443 3.385 20 5 EGBDRO CO[C@@H](C[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000595095091 459243339 /nfs/dbraw/zinc/24/33/39/459243339.db2.gz PLGLGXGJXMMOSB-GUYCJALGSA-N 1 0 349.431 3.107 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC(C)(C)[C@@H]2CCC[C@H]21 ZINC000559426575 459259519 /nfs/dbraw/zinc/25/95/19/459259519.db2.gz HCBCTSMEECUDSH-UKRRQHHQSA-N 1 0 347.415 3.052 20 5 EGBDRO O=[N+]([O-])c1cc(F)ccc1CN1CC[NH+](CCc2cccs2)CC1 ZINC000595294702 459268912 /nfs/dbraw/zinc/26/89/12/459268912.db2.gz CCODMMLLHGLJEH-UHFFFAOYSA-N 1 0 349.431 3.156 20 5 EGBDRO COc1ccc(NC(=O)CC[NH+]2C3CCCC2CCC3)c([N+](=O)[O-])c1 ZINC000591015098 459294879 /nfs/dbraw/zinc/29/48/79/459294879.db2.gz PISMDBZFTUJVOD-UHFFFAOYSA-N 1 0 347.415 3.339 20 5 EGBDRO COC(=O)c1ccc(Cl)c(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000482238322 459298677 /nfs/dbraw/zinc/29/86/77/459298677.db2.gz GIGVGFXMVPDRGX-UHFFFAOYSA-N 1 0 348.786 3.367 20 5 EGBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](C3CCC3)C2)c([N+](=O)[O-])c1 ZINC000591061664 459301515 /nfs/dbraw/zinc/30/15/15/459301515.db2.gz CKLMSIRQFBCCPC-CQSZACIVSA-N 1 0 347.415 3.054 20 5 EGBDRO O=C(C[N@H+](CC1CC1)C1CCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000483289329 459356956 /nfs/dbraw/zinc/35/69/56/459356956.db2.gz DFYQLLHSBVWMMY-UHFFFAOYSA-N 1 0 337.807 3.451 20 5 EGBDRO COC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)c1cccc(OC)c1 ZINC000595684296 459396120 /nfs/dbraw/zinc/39/61/20/459396120.db2.gz NXZCILLMPVJDNP-KRWDZBQOSA-N 1 0 330.384 3.389 20 5 EGBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000561208323 459431247 /nfs/dbraw/zinc/43/12/47/459431247.db2.gz WCZGWYXJXNULCR-AWEZNQCLSA-N 1 0 349.431 3.000 20 5 EGBDRO C[C@H]1CC[N@H+](CCNC(=O)c2cc3ccccc3c3cccnc23)C1 ZINC000525293441 459444089 /nfs/dbraw/zinc/44/40/89/459444089.db2.gz ZOGYEQKWBYKJDX-HNNXBMFYSA-N 1 0 333.435 3.460 20 5 EGBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000569778408 459506558 /nfs/dbraw/zinc/50/65/58/459506558.db2.gz UMXQWUSVQVGXPR-LZWOXQAQSA-N 1 0 333.432 3.030 20 5 EGBDRO O=c1[nH]ccc(NCc2ccc(C[NH+]3CCCCC3)cc2)c1[N+](=O)[O-] ZINC000596068644 459507258 /nfs/dbraw/zinc/50/72/58/459507258.db2.gz XEKJYZKFCSUFOH-UHFFFAOYSA-N 1 0 342.399 3.293 20 5 EGBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H]2CCC[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000562106543 459512180 /nfs/dbraw/zinc/51/21/80/459512180.db2.gz GJGFAFGQNRUKCI-SOUVJXGZSA-N 1 0 336.432 3.443 20 5 EGBDRO CCC[C@H](C)[C@H]1CCC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000486789486 459520288 /nfs/dbraw/zinc/52/02/88/459520288.db2.gz SPYYRWFNWBEWRO-WMLDXEAASA-N 1 0 333.432 3.458 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H]1CCC(C)C ZINC000486801815 459522892 /nfs/dbraw/zinc/52/28/92/459522892.db2.gz MIKJWGOPSDBAAP-AWEZNQCLSA-N 1 0 349.431 3.443 20 5 EGBDRO CCC[C@H](C)[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000486802830 459523951 /nfs/dbraw/zinc/52/39/51/459523951.db2.gz WZRYAKGKCDHNEV-XJKSGUPXSA-N 1 0 349.431 3.443 20 5 EGBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H](O)CC(F)(F)F)cc(C(F)(F)F)c1 ZINC000583377097 459528507 /nfs/dbraw/zinc/52/85/07/459528507.db2.gz YSFNXWZCIOMADO-SNVBAGLBSA-N 1 0 346.227 3.017 20 5 EGBDRO Cc1cc(NCC2([NH+]3CCCCC3)CCOCC2)c([N+](=O)[O-])s1 ZINC000596137826 459533361 /nfs/dbraw/zinc/53/33/61/459533361.db2.gz XMBLMLAXNADXIQ-UHFFFAOYSA-N 1 0 339.461 3.412 20 5 EGBDRO C[C@H](CCNc1cc[nH]c(=O)c1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000596154144 459539919 /nfs/dbraw/zinc/53/99/19/459539919.db2.gz YDADTBXESMWXPC-CYBMUJFWSA-N 1 0 330.388 3.018 20 5 EGBDRO CN(CC[N@H+](C)C1CCCCC1)c1ncnc2cccc([N+](=O)[O-])c21 ZINC000542522591 459565762 /nfs/dbraw/zinc/56/57/62/459565762.db2.gz WNVXDTFIZOHZNH-UHFFFAOYSA-N 1 0 343.431 3.239 20 5 EGBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])c1nc([C@H]2CCC[NH2+]2)no1 ZINC000592357311 459578536 /nfs/dbraw/zinc/57/85/36/459578536.db2.gz VYACODWQKYNRPJ-WCBMZHEXSA-N 1 0 338.751 3.196 20 5 EGBDRO O=[N+]([O-])c1cc(-c2nc([C@H]3CCC[NH2+]3)no2)cc(C(F)(F)F)c1 ZINC000592357259 459578947 /nfs/dbraw/zinc/57/89/47/459578947.db2.gz ZKHPDHYWMLMRSV-SNVBAGLBSA-N 1 0 328.250 3.088 20 5 EGBDRO Cc1cc(NCC[C@H]2CCO[C@H](C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000543208646 459636244 /nfs/dbraw/zinc/63/62/44/459636244.db2.gz REBFGMXQLMHXPR-KGLIPLIRSA-N 1 0 329.400 3.490 20 5 EGBDRO COc1cc(C[N@@H+]2CC[C@H](c3ccncc3)C2)c([N+](=O)[O-])cc1F ZINC000573218014 459645492 /nfs/dbraw/zinc/64/54/92/459645492.db2.gz WXYMGWXUWIRBQV-ZDUSSCGKSA-N 1 0 331.347 3.127 20 5 EGBDRO Cc1cc(N2CC[C@@H]([N@H+](C)CCc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000596468300 459646683 /nfs/dbraw/zinc/64/66/83/459646683.db2.gz XZUZLHJXCRIMMP-QGZVFWFLSA-N 1 0 340.427 3.051 20 5 EGBDRO Cc1cc(N2CC[C@H]([N@H+](C)CCc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000596468299 459646952 /nfs/dbraw/zinc/64/69/52/459646952.db2.gz XZUZLHJXCRIMMP-KRWDZBQOSA-N 1 0 340.427 3.051 20 5 EGBDRO O=[N+]([O-])c1cccc2ncnc(N[C@@H]3CC[N@@H+](C4CCCCC4)C3)c21 ZINC000596480497 459651505 /nfs/dbraw/zinc/65/15/05/459651505.db2.gz QKUYNEMQHKUPSY-CYBMUJFWSA-N 1 0 341.415 3.357 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+]C(C)(C)c1cccs1 ZINC000543503505 459665844 /nfs/dbraw/zinc/66/58/44/459665844.db2.gz BIMWNZFULSUKOQ-UHFFFAOYSA-N 1 0 333.413 3.428 20 5 EGBDRO CCc1cc(OC)ccc1C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000500403359 459678917 /nfs/dbraw/zinc/67/89/17/459678917.db2.gz OFZVIOSEQKBINO-UHFFFAOYSA-N 1 0 330.384 3.464 20 5 EGBDRO CC[NH+](CC)C[C@H](C)NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000501255906 459719372 /nfs/dbraw/zinc/71/93/72/459719372.db2.gz DKGDJLKGFDXMMA-ZDUSSCGKSA-N 1 0 335.448 3.352 20 5 EGBDRO Cc1ccc(NC(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)cc1[N+](=O)[O-] ZINC000584457286 459743543 /nfs/dbraw/zinc/74/35/43/459743543.db2.gz XEZIFDJXOXRNOT-INIZCTEOSA-N 1 0 346.431 3.145 20 5 EGBDRO O=[N+]([O-])c1ccc(OCCC[NH+]2CCC3(CC3(F)F)CC2)cc1 ZINC000593077223 459765952 /nfs/dbraw/zinc/76/59/52/459765952.db2.gz PCSUOXPOSFJTST-UHFFFAOYSA-N 1 0 326.343 3.485 20 5 EGBDRO CCC[N@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000584807809 459805008 /nfs/dbraw/zinc/80/50/08/459805008.db2.gz PLFYNCUSJOHAHB-UHFFFAOYSA-N 1 0 334.157 3.041 20 5 EGBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000602110881 459844174 /nfs/dbraw/zinc/84/41/74/459844174.db2.gz LVPYHISNTBWJQJ-GOSISDBHSA-N 1 0 345.443 3.051 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)CN(C)CCc1ccccc1 ZINC000602151501 459852636 /nfs/dbraw/zinc/85/26/36/459852636.db2.gz JELSWFQOPBAROC-UHFFFAOYSA-N 1 0 341.411 3.325 20 5 EGBDRO Cc1cc(N2CCC3(CC[NH2+]C3)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000574744536 459864713 /nfs/dbraw/zinc/86/47/13/459864713.db2.gz MVFNWOFFKURSEH-UHFFFAOYSA-N 1 0 326.400 3.031 20 5 EGBDRO COc1cc(CN2CCC[C@H]2c2ccccn2)c([N+](=O)[O-])cc1F ZINC000545930683 459874689 /nfs/dbraw/zinc/87/46/89/459874689.db2.gz XWABJXRHGVTJLN-HNNXBMFYSA-N 1 0 331.347 3.475 20 5 EGBDRO C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C[C@H]1COCCO1 ZINC000597206711 459876691 /nfs/dbraw/zinc/87/66/91/459876691.db2.gz RMLIOCREAWZWDU-HNNXBMFYSA-N 1 0 348.424 3.171 20 5 EGBDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(c2c(F)cccc2[N+](=O)[O-])C1 ZINC000587987448 459897931 /nfs/dbraw/zinc/89/79/31/459897931.db2.gz VEKUHDBIXJIVNW-HNNXBMFYSA-N 1 0 329.375 3.445 20 5 EGBDRO CC1(C)CN(c2cccnc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000609193735 459922012 /nfs/dbraw/zinc/92/20/12/459922012.db2.gz ZOGQGYUSWHPTLG-UHFFFAOYSA-N 1 0 326.400 3.091 20 5 EGBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000609234556 459929679 /nfs/dbraw/zinc/92/96/79/459929679.db2.gz VBAYSSISLCPCGM-IBGZPJMESA-N 1 0 342.395 3.437 20 5 EGBDRO CC[N@@H+](Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C[C@@H]1CCOC1 ZINC000602444698 459941255 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20 5 EGBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]C[C@@H]3OCCc4ccccc43)nc2c1 ZINC000602544964 459992127 /nfs/dbraw/zinc/99/21/27/459992127.db2.gz GCEKOOWFSBJUPI-KRWDZBQOSA-N 1 0 339.351 3.140 20 5 EGBDRO CC1([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CCOCC1 ZINC000602579609 460008158 /nfs/dbraw/zinc/00/81/58/460008158.db2.gz BPZNDALAQQIHKE-UHFFFAOYSA-N 1 0 335.223 3.078 20 5 EGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1CN[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000602568945 460001721 /nfs/dbraw/zinc/00/17/21/460001721.db2.gz ZQFKDTUBAGUXGQ-CQSZACIVSA-N 1 0 343.349 3.188 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CC3(C4CC4)CCC3)CC2)cn1 ZINC000602570670 460002582 /nfs/dbraw/zinc/00/25/82/460002582.db2.gz HLPNUMNJGSFRKY-UHFFFAOYSA-N 1 0 330.432 3.129 20 5 EGBDRO Cc1ccccc1C[N@@H+]1CCCN(c2nccc(C)c2[N+](=O)[O-])CC1 ZINC000609669345 460005045 /nfs/dbraw/zinc/00/50/45/460005045.db2.gz NHDHKNHNQCLMHX-UHFFFAOYSA-N 1 0 340.427 3.319 20 5 EGBDRO C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CC[NH+](C)CC1 ZINC000609677660 460007810 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CN(Cc1nc2cc([N+](=O)[O-])ccc2o1)C(C)(C)C[NH+]1CCCC1 ZINC000602696350 460070050 /nfs/dbraw/zinc/07/00/50/460070050.db2.gz QFZVZCXTEZCMBF-UHFFFAOYSA-N 1 0 332.404 3.042 20 5 EGBDRO C[C@@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@@]1(C)CO ZINC000602723783 460086561 /nfs/dbraw/zinc/08/65/61/460086561.db2.gz SYAQCNCVODRFJF-YGRLFVJLSA-N 1 0 332.322 3.064 20 5 EGBDRO CC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])[C@H](C)c1cccc(OC)c1 ZINC000602763045 460112458 /nfs/dbraw/zinc/11/24/58/460112458.db2.gz JJWCOVGCVBMZBN-CYBMUJFWSA-N 1 0 332.404 3.191 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@H](c2ccc(F)cc2)C[C@@H]1C ZINC000602783500 460122568 /nfs/dbraw/zinc/12/25/68/460122568.db2.gz ZWBUJVTYUJPGHC-SWLSCSKDSA-N 1 0 332.379 3.117 20 5 EGBDRO Cc1ccc([C@H]2C[C@@H](C)CC[N@@H+]2CCn2c(C)ncc2[N+](=O)[O-])o1 ZINC000602788463 460126386 /nfs/dbraw/zinc/12/63/86/460126386.db2.gz XVUDXYYFFBITMD-SWLSCSKDSA-N 1 0 332.404 3.474 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](C)c1cccc(OC(C)C)c1 ZINC000602801241 460133152 /nfs/dbraw/zinc/13/31/52/460133152.db2.gz MIMAQTPQPLVRNZ-CYBMUJFWSA-N 1 0 332.404 3.238 20 5 EGBDRO CC[C@H](c1cccc(OC)c1)[N@H+](C)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602833354 460150301 /nfs/dbraw/zinc/15/03/01/460150301.db2.gz PDAXUZDANPGTSQ-MRXNPFEDSA-N 1 0 332.404 3.191 20 5 EGBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000598220455 460210057 /nfs/dbraw/zinc/21/00/57/460210057.db2.gz PJVDYQJFOLIMCN-INIZCTEOSA-N 1 0 345.443 3.051 20 5 EGBDRO C[N@@H+]1CCCC12CCN(c1ncc([N+](=O)[O-])cc1C(F)(F)F)CC2 ZINC000576803843 460216342 /nfs/dbraw/zinc/21/63/42/460216342.db2.gz LIIKNQNSRIFMOK-UHFFFAOYSA-N 1 0 344.337 3.073 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C1CCN(CC(F)F)CC1 ZINC000610806979 460240218 /nfs/dbraw/zinc/24/02/18/460240218.db2.gz MEQUUUGXGNVJLH-LBPRGKRZSA-N 1 0 327.375 3.283 20 5 EGBDRO CC(C)(C)c1ncc2c(n1)CC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C2 ZINC000599525982 460267476 /nfs/dbraw/zinc/26/74/76/460267476.db2.gz WPEWWDCNCKBKIT-UHFFFAOYSA-N 1 0 340.427 3.283 20 5 EGBDRO C[C@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599587017 460281470 /nfs/dbraw/zinc/28/14/70/460281470.db2.gz KIKHNXPOJNVMHQ-BBRMVZONSA-N 1 0 334.416 3.395 20 5 EGBDRO C[C@@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)CC[C@H]1C(=O)OC(C)(C)C ZINC000599589377 460283060 /nfs/dbraw/zinc/28/30/60/460283060.db2.gz SAUWXWCWCNCZIF-RHSMWYFYSA-N 1 0 348.443 3.437 20 5 EGBDRO C[NH+]1CCC2(CCCN2C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000611260544 460320202 /nfs/dbraw/zinc/32/02/02/460320202.db2.gz DMSRAGNXYIUOAT-UHFFFAOYSA-N 1 0 343.383 3.041 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@H+](CCO)CCc1ccccc1 ZINC000611271806 460324356 /nfs/dbraw/zinc/32/43/56/460324356.db2.gz XKJDHRSAQUOUSD-POHAHGRESA-N 1 0 326.396 3.145 20 5 EGBDRO C[C@@H]1CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H]2CCCC[C@@H]12 ZINC000603632977 460329439 /nfs/dbraw/zinc/32/94/39/460329439.db2.gz XBJRJSZLOGDGJJ-TWKWOARYSA-N 1 0 348.443 3.235 20 5 EGBDRO Cc1ccncc1[C@H](C)[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000611299722 460332355 /nfs/dbraw/zinc/33/23/55/460332355.db2.gz DUWWHZMGUPYXCS-KGLIPLIRSA-N 1 0 342.399 3.366 20 5 EGBDRO O=C1[C@@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCN1C1CCCCC1 ZINC000611442644 460366771 /nfs/dbraw/zinc/36/67/71/460366771.db2.gz MWMMRXFJXTWRNS-QLBOMPFWSA-N 1 0 343.427 3.131 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2nc(C[NH2+]C3(CO)CCCCC3)co2)cc1 ZINC000611462987 460370174 /nfs/dbraw/zinc/37/01/74/460370174.db2.gz KKELUGRONBAMBF-UHFFFAOYSA-N 1 0 331.372 3.035 20 5 EGBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccsc2)c([N+](=O)[O-])c1 ZINC000619783629 460444472 /nfs/dbraw/zinc/44/44/72/460444472.db2.gz VUZBHCAUSLWWSI-QWRGUYRKSA-N 1 0 349.412 3.343 20 5 EGBDRO Cc1ccncc1[C@H](C)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000611939049 460492160 /nfs/dbraw/zinc/49/21/60/460492160.db2.gz NYUVXGPPYOFPCI-AWEZNQCLSA-N 1 0 342.399 3.286 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000601558217 460831971 /nfs/dbraw/zinc/83/19/71/460831971.db2.gz DCPOFTMBNZPAGM-ZDUSSCGKSA-N 1 0 334.420 3.111 20 5 EGBDRO CCC1(CC)[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@H]1OC ZINC000617547737 460900772 /nfs/dbraw/zinc/90/07/72/460900772.db2.gz VDXQEIGUQFATLW-CABCVRRESA-N 1 0 333.388 3.419 20 5 EGBDRO Cc1ncc([C@H](C)[NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)s1 ZINC000601936315 460950716 /nfs/dbraw/zinc/95/07/16/460950716.db2.gz RWGMWBQKENEOJZ-WDEREUQCSA-N 1 0 348.428 3.346 20 5 EGBDRO O=c1c2ccccc2n(Cc2nc([C@H]3CCC[NH2+]3)no2)c2ccccc12 ZINC000647153886 461526959 /nfs/dbraw/zinc/52/69/59/461526959.db2.gz NCXZPVAUPHHPMD-OAHLLOKOSA-N 1 0 346.390 3.011 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000153619256 534322662 /nfs/dbraw/zinc/32/26/62/534322662.db2.gz WFXSTYAWEUTCDF-GDBMZVCRSA-N 1 0 346.431 3.160 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@]1(CO)C[C@H]1c1ccccc1 ZINC000289898706 518203185 /nfs/dbraw/zinc/20/31/85/518203185.db2.gz QWTSBCPSQRNFSV-YRCFHQPNSA-N 1 0 338.407 3.364 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@@H](O)c1ccccc1F)C1CC1 ZINC000130310193 534887665 /nfs/dbraw/zinc/88/76/65/534887665.db2.gz PCICEOFJIAGHJG-IEBWSBKVSA-N 1 0 344.386 3.378 20 5 EGBDRO CC(C)CCSc1ccc(C(=O)N(C)[C@@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000236601120 534908533 /nfs/dbraw/zinc/90/85/33/534908533.db2.gz UUMBOXOXZKGZKC-LBPRGKRZSA-N 1 0 339.461 3.152 20 5 EGBDRO CCCN(C(=O)c1cc2cc([N+](=O)[O-])ccc2s1)[C@@H]1CC[NH2+]C1 ZINC000178898796 527785268 /nfs/dbraw/zinc/78/52/68/527785268.db2.gz DHKIQKAIAALJIR-CYBMUJFWSA-N 1 0 333.413 3.024 20 5 EGBDRO CC(C)c1ccc(C(=O)NCCC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000189551463 528067844 /nfs/dbraw/zinc/06/78/44/528067844.db2.gz LWVZNWXWSBNZQZ-UHFFFAOYSA-N 1 0 333.432 3.180 20 5 EGBDRO CC[N@H+](C[C@@H]1CCOC1)Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000738079303 574665295 /nfs/dbraw/zinc/66/52/95/574665295.db2.gz BMPXYQAVTHJCJJ-NSHDSACASA-N 1 0 337.401 3.188 20 5 EGBDRO CC(C)Oc1cccc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000731677872 575199311 /nfs/dbraw/zinc/19/93/11/575199311.db2.gz AOPLZJSIDQFUTJ-GOSISDBHSA-N 1 0 330.384 3.205 20 5 EGBDRO CCO[C@H]1C[C@H]([N@H+](C)Cn2ncc3cc([N+](=O)[O-])ccc32)C1(C)C ZINC000740862962 576631237 /nfs/dbraw/zinc/63/12/37/576631237.db2.gz IYHSDEUREJRFLJ-HOTGVXAUSA-N 1 0 332.404 3.037 20 5 EGBDRO C[C@@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])c1ccc(-c2nn[nH]n2)cc1 ZINC000820410018 599366272 /nfs/dbraw/zinc/36/62/72/599366272.db2.gz BYXDDLZQYLKAGR-VXGBXAGGSA-N 1 0 338.371 3.187 20 5 EGBDRO COc1cccc([C@H](O)C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)c1 ZINC000873048619 1297247275 /nfs/dbraw/zinc/24/72/75/1297247275.db2.gz FZYOINLMRYZAIF-GOSISDBHSA-N 1 0 330.384 3.043 20 5 EGBDRO Cc1cc(Cl)c(C(=O)N[C@H]2CCC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000832295760 1292984661 /nfs/dbraw/zinc/98/46/61/1292984661.db2.gz HKMXINDOGLDODJ-LBPRGKRZSA-N 1 0 339.823 3.159 20 5 EGBDRO COc1cccc2c1OC[C@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)C2 ZINC000102939368 1292987630 /nfs/dbraw/zinc/98/76/30/1292987630.db2.gz YDHBMNWSWKSAIZ-OAHLLOKOSA-N 1 0 328.368 3.005 20 5 EGBDRO COCC[N@H+](CC(C)C)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000103457748 1293006941 /nfs/dbraw/zinc/00/69/41/1293006941.db2.gz ZRVDZUVFLOTRIQ-UHFFFAOYSA-N 1 0 332.404 3.020 20 5 EGBDRO Cc1ccc(CC[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)nc1 ZINC000834909096 1293172842 /nfs/dbraw/zinc/17/28/42/1293172842.db2.gz LDEMPFFRKHCZCT-UHFFFAOYSA-N 1 0 340.427 3.099 20 5 EGBDRO CCc1cnc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)s1 ZINC000130676321 1293664984 /nfs/dbraw/zinc/66/49/84/1293664984.db2.gz JNNGEIVGVXPPRM-UHFFFAOYSA-N 1 0 346.456 3.372 20 5 EGBDRO C[NH+](C)[C@H](CNc1nc2ccccn2c1[N+](=O)[O-])c1cccs1 ZINC000137647912 1293830235 /nfs/dbraw/zinc/83/02/35/1293830235.db2.gz LTGLCFHIIGDYAU-LLVKDONJSA-N 1 0 331.401 3.019 20 5 EGBDRO O=[N+]([O-])c1cn(C[N@@H+]2CCC[C@H]2C2CCCC2)nc1-c1ccncc1 ZINC000172897051 1294448427 /nfs/dbraw/zinc/44/84/27/1294448427.db2.gz RIZJQVMPVPVEBH-INIZCTEOSA-N 1 0 341.415 3.465 20 5 EGBDRO O=C(CN1CCC2(CCCC2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000173823569 1294471883 /nfs/dbraw/zinc/47/18/83/1294471883.db2.gz UZCFGCUARPZBBV-UHFFFAOYSA-N 1 0 337.807 3.453 20 5 EGBDRO Cc1ccc(N2CC[C@@H]([NH2+][C@@H](C)c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000173964585 1294474783 /nfs/dbraw/zinc/47/47/83/1294474783.db2.gz LUJRSRZEBLKMNL-KBXCAEBGSA-N 1 0 339.395 3.359 20 5 EGBDRO Cc1c(CC(=O)NCCC2CC[NH+](C(C)C)CC2)cccc1[N+](=O)[O-] ZINC000870956729 1296153344 /nfs/dbraw/zinc/15/33/44/1296153344.db2.gz GGKUCZZPMJZYSK-UHFFFAOYSA-N 1 0 347.459 3.072 20 5 EGBDRO O=[N+]([O-])c1ccc(Br)cc1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250848765 1296457806 /nfs/dbraw/zinc/45/78/06/1296457806.db2.gz AZYPDCWSUXAXJY-RYUDHWBXSA-N 1 0 340.221 3.396 20 5 EGBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000255884439 1296574753 /nfs/dbraw/zinc/57/47/53/1296574753.db2.gz LJPYHNARZQCERA-FLIBITNWSA-N 1 0 343.427 3.085 20 5 EGBDRO C[NH2+][C@@H](C)CNC(=O)c1ccc(SCCC(C)C)c([N+](=O)[O-])c1 ZINC000261661626 1296598024 /nfs/dbraw/zinc/59/80/24/1296598024.db2.gz FZQVWSIJUPHSLS-LBPRGKRZSA-N 1 0 339.461 3.071 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)Cc1cnccn1 ZINC000872029904 1296675667 /nfs/dbraw/zinc/67/56/67/1296675667.db2.gz VGAHRVOOTVNIGG-RYUDHWBXSA-N 1 0 332.429 3.389 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@](C)(O)C(F)(F)F ZINC000872051573 1296702659 /nfs/dbraw/zinc/70/26/59/1296702659.db2.gz LLAJAYXBVGFWOV-UFBFGSQYSA-N 1 0 338.351 3.281 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC1([S@@](C)=O)CCC1 ZINC000872067577 1296713985 /nfs/dbraw/zinc/71/39/85/1296713985.db2.gz BIWIVZNKDVYLDK-KPWVOAKYSA-N 1 0 342.486 3.269 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCc1cnc(C)cn1 ZINC000872077265 1296720873 /nfs/dbraw/zinc/72/08/73/1296720873.db2.gz DOXXJHPOIOOUCG-GFCCVEGCSA-N 1 0 332.429 3.308 20 5 EGBDRO C[C@@H]1[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CCCN1C(=O)OC(C)(C)C ZINC000310816833 1297101460 /nfs/dbraw/zinc/10/14/60/1297101460.db2.gz FARZJCWXUNHKTG-HIFRSBDPSA-N 1 0 349.431 3.472 20 5 EGBDRO C[C@@H]1[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCN1C(=O)OC(C)(C)C ZINC000310836186 1297102255 /nfs/dbraw/zinc/10/22/55/1297102255.db2.gz LTJDVFLMSRREHP-CJNGLKHVSA-N 1 0 349.431 3.472 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H]1CCCc2nc(C)ncc21 ZINC000873051441 1297248721 /nfs/dbraw/zinc/24/87/21/1297248721.db2.gz CDMUEXJSYYHFRD-MRXNPFEDSA-N 1 0 326.400 3.477 20 5 EGBDRO C[C@@H]1[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CCCN1C(=O)OC(C)(C)C ZINC000381407487 1297550898 /nfs/dbraw/zinc/55/08/98/1297550898.db2.gz WYBLASQVGIWUNN-CZUORRHYSA-N 1 0 349.431 3.472 20 5 EGBDRO C[C@H]1CC[C@H](Oc2c(Br)c(F)ccc2[N+](=O)[O-])C[NH2+]1 ZINC000689743837 1298127097 /nfs/dbraw/zinc/12/70/97/1298127097.db2.gz LAASBVFTCVFITA-YUMQZZPRSA-N 1 0 333.157 3.016 20 5 EGBDRO C[C@H]([NH2+]C[C@H]1CCN1C(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000724951111 1298351271 /nfs/dbraw/zinc/35/12/71/1298351271.db2.gz AESFQZBDNXURQX-SWLSCSKDSA-N 1 0 335.404 3.255 20 5 EGBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](C3CCCCC3)CC2)c2nonc21 ZINC000747226255 1298746433 /nfs/dbraw/zinc/74/64/33/1298746433.db2.gz KFEWSIQPLGVSOP-UHFFFAOYSA-N 1 0 345.403 3.340 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@H](O)c2c(F)cccc2Cl)cc1 ZINC000877058030 1299137955 /nfs/dbraw/zinc/13/79/55/1299137955.db2.gz SSJRHHUFXFHKCH-HNNXBMFYSA-N 1 0 338.766 3.253 20 5 EGBDRO C[NH+](C)C[C@@H]1CCCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000749393646 1299207263 /nfs/dbraw/zinc/20/72/63/1299207263.db2.gz YIEDSPNPCLIBOQ-NSHDSACASA-N 1 0 331.338 3.392 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]Cc2nc3ccccc3s2)c1 ZINC000749640753 1299250555 /nfs/dbraw/zinc/25/05/55/1299250555.db2.gz VAZRCQCVGXRURY-AWEZNQCLSA-N 1 0 329.381 3.028 20 5 EGBDRO C[C@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)COCc1ccccc1 ZINC000749684288 1299255053 /nfs/dbraw/zinc/25/50/53/1299255053.db2.gz AVMQOTSXDTTYOT-BEFAXECRSA-N 1 0 344.411 3.071 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@H]2Cc2ccc(F)cc2)c1 ZINC000749691791 1299256698 /nfs/dbraw/zinc/25/66/98/1299256698.db2.gz RYWQALJUVAMFFX-PKOBYXMFSA-N 1 0 344.386 3.474 20 5 EGBDRO C[C@H](CCNC(=O)OC(C)(C)C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000877506002 1299354304 /nfs/dbraw/zinc/35/43/04/1299354304.db2.gz LYODIOTUAQFMPC-CYBMUJFWSA-N 1 0 337.420 3.030 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000877560682 1299398247 /nfs/dbraw/zinc/39/82/47/1299398247.db2.gz YDVLZWDQSHFEIA-HNNXBMFYSA-N 1 0 347.459 3.325 20 5 EGBDRO Cc1csc([C@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C2CC2)n1 ZINC000754201893 1300105089 /nfs/dbraw/zinc/10/50/89/1300105089.db2.gz ZSUYPRLVRYCBBJ-LSDHHAIUSA-N 1 0 333.413 3.134 20 5 EGBDRO Cc1ccc(SCC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000754250248 1300110300 /nfs/dbraw/zinc/11/03/00/1300110300.db2.gz GSFNOKGVGYJTIM-KRWDZBQOSA-N 1 0 332.425 3.319 20 5 EGBDRO Cc1cnc([C@@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C2CC2)s1 ZINC000754409274 1300140777 /nfs/dbraw/zinc/14/07/77/1300140777.db2.gz IXMKAZCQQOAFCG-GJZGRUSLSA-N 1 0 333.413 3.134 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)s1 ZINC000754667731 1300187565 /nfs/dbraw/zinc/18/75/65/1300187565.db2.gz AQLOXEBLPJRHFA-SWLSCSKDSA-N 1 0 345.424 3.421 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)s1 ZINC000754667732 1300187722 /nfs/dbraw/zinc/18/77/22/1300187722.db2.gz AQLOXEBLPJRHFA-WFASDCNBSA-N 1 0 345.424 3.421 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000880203844 1300982768 /nfs/dbraw/zinc/98/27/68/1300982768.db2.gz NNVCZHKSXURDRT-DOTOQJQBSA-N 1 0 347.459 3.197 20 5 EGBDRO CC(C)CC1CC[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000760926747 1301362851 /nfs/dbraw/zinc/36/28/51/1301362851.db2.gz PVCHMOKEQQTSBB-QGZVFWFLSA-N 1 0 336.432 3.093 20 5 EGBDRO O=[N+]([O-])c1ccc(Cl)cc1Cn1cc(C[NH2+]C2CCCCC2)nn1 ZINC000881352408 1301537976 /nfs/dbraw/zinc/53/79/76/1301537976.db2.gz HFNMHPHNZJKHRA-UHFFFAOYSA-N 1 0 349.822 3.310 20 5 EGBDRO COc1ccc(C[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)cc1[N+](=O)[O-] ZINC000762614233 1301712947 /nfs/dbraw/zinc/71/29/47/1301712947.db2.gz LKMKDLPPOZDFOD-BYCMXARLSA-N 1 0 340.470 3.073 20 5 EGBDRO CN(CCCC[NH+]1CCCCC1)C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000882624719 1302036825 /nfs/dbraw/zinc/03/68/25/1302036825.db2.gz KCSYNJUOKHTKLJ-UHFFFAOYSA-N 1 0 337.395 3.072 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCSC(F)(F)F)CC2)cc1 ZINC000765240853 1302227284 /nfs/dbraw/zinc/22/72/84/1302227284.db2.gz CFNNCGVEUACRRN-UHFFFAOYSA-N 1 0 349.378 3.406 20 5 EGBDRO CCC[C@H]([NH2+][C@@H]1CCCN(C(=O)OC)C1)c1cccc([N+](=O)[O-])c1 ZINC000765628755 1302292718 /nfs/dbraw/zinc/29/27/18/1302292718.db2.gz FCONHKUJZBLLTB-ZBFHGGJFSA-N 1 0 335.404 3.256 20 5 EGBDRO C[C@H](Cc1ccncc1)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000766490318 1302461785 /nfs/dbraw/zinc/46/17/85/1302461785.db2.gz SMPAMODDCXGQFL-OAHLLOKOSA-N 1 0 340.427 3.179 20 5 EGBDRO COc1cc(NC[C@@H](c2ccccc2)[NH+](C)C)c([N+](=O)[O-])cc1OC ZINC000766923658 1302548868 /nfs/dbraw/zinc/54/88/68/1302548868.db2.gz KYPXWIFTVXIZPV-INIZCTEOSA-N 1 0 345.399 3.327 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccnc4ccccc34)CC2)cc1 ZINC000768152711 1302838049 /nfs/dbraw/zinc/83/80/49/1302838049.db2.gz UZZSFZNYTPSGIQ-UHFFFAOYSA-N 1 0 348.406 3.465 20 5 EGBDRO CC[NH+](CC)Cc1ccc(C(=O)OCc2cccnc2[N+](=O)[O-])cc1 ZINC000884494450 1302884295 /nfs/dbraw/zinc/88/42/95/1302884295.db2.gz SWSJCULUSYSMLC-UHFFFAOYSA-N 1 0 343.383 3.189 20 5 EGBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1ncc([N+](=O)[O-])c2ccccc21 ZINC000884506700 1302888439 /nfs/dbraw/zinc/88/84/39/1302888439.db2.gz KPQSBDCQDDXLNJ-KGLIPLIRSA-N 1 0 326.400 3.206 20 5 EGBDRO CC[NH+](CC)CCOC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000772215905 1303503881 /nfs/dbraw/zinc/50/38/81/1303503881.db2.gz VHIUZSAZMASKRA-UHFFFAOYSA-N 1 0 334.294 3.112 20 5 EGBDRO CC[C@H](CSC)[N@H+](C)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000773253474 1303650598 /nfs/dbraw/zinc/65/05/98/1303650598.db2.gz AZJLFOTUSSSYRG-OAHLLOKOSA-N 1 0 334.445 3.489 20 5 EGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887133348 1303685997 /nfs/dbraw/zinc/68/59/97/1303685997.db2.gz ZGWAFUOUKVSTTM-CABCVRRESA-N 1 0 326.400 3.262 20 5 EGBDRO CC[N@H+](C[C@H]1CCCO1)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000774636661 1303838333 /nfs/dbraw/zinc/83/83/33/1303838333.db2.gz VZQTXBSWDCNMFD-CYBMUJFWSA-N 1 0 338.795 3.056 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+]CCOCC(F)(F)C(F)F)cc1Cl ZINC000775146275 1303915103 /nfs/dbraw/zinc/91/51/03/1303915103.db2.gz OQKYRCLRHKGYBC-UHFFFAOYSA-N 1 0 344.692 3.255 20 5 EGBDRO COC(=O)Cc1ccccc1C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000775549640 1303982125 /nfs/dbraw/zinc/98/21/25/1303982125.db2.gz NFTCKBODBPNGOH-CQSZACIVSA-N 1 0 342.395 3.470 20 5 EGBDRO CC(C)COc1ccccc1C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776278820 1304127810 /nfs/dbraw/zinc/12/78/10/1304127810.db2.gz WAHWFCAPORXSFU-GOSISDBHSA-N 1 0 344.411 3.453 20 5 EGBDRO CO[C@H](C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)C(F)(F)F ZINC000777013801 1304232765 /nfs/dbraw/zinc/23/27/65/1304232765.db2.gz XJYICZLPLKQYPC-TZMCWYRMSA-N 1 0 332.322 3.083 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3ccc(CF)cc3)C2)nc1 ZINC000777618180 1304326484 /nfs/dbraw/zinc/32/64/84/1304326484.db2.gz VQESLIOIBUDSSB-HNNXBMFYSA-N 1 0 330.363 3.146 20 5 EGBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)c1nc2ccc([N+](=O)[O-])cc2s1 ZINC000779428914 1304571091 /nfs/dbraw/zinc/57/10/91/1304571091.db2.gz KBILNMHBFPXBRI-NSHDSACASA-N 1 0 334.445 3.371 20 5 EGBDRO C[C@@H]1CC[C@H](C(F)(F)F)C[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000780385826 1304684176 /nfs/dbraw/zinc/68/41/76/1304684176.db2.gz SNVNQLASPRNEFD-OSMZGAPFSA-N 1 0 332.322 3.291 20 5 EGBDRO O=C(OCc1cc([N+](=O)[O-])ccc1Cl)C1CC[NH+](C2CC2)CC1 ZINC000783594833 1305114142 /nfs/dbraw/zinc/11/41/42/1305114142.db2.gz DSMUVCIEIVENFS-UHFFFAOYSA-N 1 0 338.791 3.166 20 5 EGBDRO O=C1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CN1c1ccccc1 ZINC000783608473 1305115809 /nfs/dbraw/zinc/11/58/09/1305115809.db2.gz HDEMQQOCZPLZPN-ZDUSSCGKSA-N 1 0 345.786 3.143 20 5 EGBDRO Cn1nc(CC[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)c2ccccc21 ZINC000783679359 1305127759 /nfs/dbraw/zinc/12/77/59/1305127759.db2.gz OWPDSCYXBGPLGM-UHFFFAOYSA-N 1 0 344.802 3.467 20 5 EGBDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNc2c([N+](=O)[O-])cnn2C)C1 ZINC000891846213 1305186178 /nfs/dbraw/zinc/18/61/78/1305186178.db2.gz XZTPVDYRTYCXRK-CQSZACIVSA-N 1 0 343.431 3.172 20 5 EGBDRO CN(CCCC[NH+](C)C)C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000786104615 1305515838 /nfs/dbraw/zinc/51/58/38/1305515838.db2.gz DMOCIBXLNOBLAR-UHFFFAOYSA-N 1 0 328.800 3.054 20 5 EGBDRO C[C@H]1C[C@@H](CCNc2c([N+](=O)[O-])cnn2C)C[N@@H+]1Cc1ccccc1 ZINC000892956966 1305626809 /nfs/dbraw/zinc/62/68/09/1305626809.db2.gz ZPRNVFGABBBLED-GOEBONIOSA-N 1 0 343.431 3.041 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@]1(O)CCc2ccccc21 ZINC000786819366 1305635046 /nfs/dbraw/zinc/63/50/46/1305635046.db2.gz BMXATYZZBXTZHS-RNTFSAEZSA-N 1 0 338.407 3.422 20 5 EGBDRO CC[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C[C@H]1COc2ccccc2O1 ZINC000788473900 1305951580 /nfs/dbraw/zinc/95/15/80/1305951580.db2.gz BNPHSHDJVFEESX-AWEZNQCLSA-N 1 0 346.358 3.396 20 5 EGBDRO CCN(CCC[NH+](CC)CC)C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000788539182 1305965982 /nfs/dbraw/zinc/96/59/82/1305965982.db2.gz MQGPRDUCTWRKQT-RAXLEYEMSA-N 1 0 333.432 3.188 20 5 EGBDRO COc1c(O)ccc(CN2C[C@H](C)C[C@H]2c2cccnc2)c1[N+](=O)[O-] ZINC000893573067 1305974706 /nfs/dbraw/zinc/97/47/06/1305974706.db2.gz WAOUJNSRBKJCBJ-DOMZBBRYSA-N 1 0 343.383 3.287 20 5 EGBDRO C[C@@H]([NH2+]C[C@@H](C)N(C)Cc1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788593875 1305976760 /nfs/dbraw/zinc/97/67/60/1305976760.db2.gz SMRPSYIHXXSKKP-HUUCEWRRSA-N 1 0 342.443 3.348 20 5 EGBDRO C[C@@H]([NH2+]C[C@](C)(O)c1ccccc1Cl)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788750109 1306007699 /nfs/dbraw/zinc/00/76/99/1306007699.db2.gz LXJOPVOMSKMLII-DIFFPNOSSA-N 1 0 349.818 3.389 20 5 EGBDRO COCC[N@H+](Cn1nc(C)c2ccc([N+](=O)[O-])cc21)[C@H]1CC[C@H](C)C1 ZINC000790479570 1306333131 /nfs/dbraw/zinc/33/31/31/1306333131.db2.gz PVUJCZZINQTGBD-ZFWWWQNUSA-N 1 0 346.431 3.347 20 5 EGBDRO COCC[N@H+](Cn1nc(C)c2cc([N+](=O)[O-])ccc21)[C@H]1CC[C@@H](C)C1 ZINC000790481625 1306336241 /nfs/dbraw/zinc/33/62/41/1306336241.db2.gz XLNRPEQQIPTITI-HIFRSBDPSA-N 1 0 346.431 3.347 20 5 EGBDRO Cc1c(C[NH2+][C@H]2CCC[C@H]2NC(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC000790695289 1308853558 /nfs/dbraw/zinc/85/35/58/1308853558.db2.gz MJKWQSXBIBJILJ-LSDHHAIUSA-N 1 0 349.431 3.439 20 5 EGBDRO C[C@@H]1CSCC[N@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000792723425 1309217421 /nfs/dbraw/zinc/21/74/21/1309217421.db2.gz RYHMZLPFSOASPU-ZDUSSCGKSA-N 1 0 332.429 3.101 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@H](C4OCCO4)C3)o2)cc1 ZINC000896384161 1309833503 /nfs/dbraw/zinc/83/35/03/1309833503.db2.gz IHZVBTWMJXCOOH-AWEZNQCLSA-N 1 0 344.367 3.050 20 5 EGBDRO Cc1c(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000796114554 1309911040 /nfs/dbraw/zinc/91/10/40/1309911040.db2.gz ULIATZOXSQRCQJ-UHFFFAOYSA-N 1 0 329.356 3.486 20 5 EGBDRO C[NH+]1CCC2(CCCN(C(=S)Nc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000798374076 1310348419 /nfs/dbraw/zinc/34/84/19/1310348419.db2.gz BUGMNXOBCGCJHU-UHFFFAOYSA-N 1 0 348.472 3.099 20 5 EGBDRO C[C@@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C[C@H]1O ZINC000897684665 1310433573 /nfs/dbraw/zinc/43/35/73/1310433573.db2.gz UVGJVWYFYAXGMS-MEBBXXQBSA-N 1 0 336.775 3.321 20 5 EGBDRO CC[NH+](CC)CCCOC(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000800199556 1310699633 /nfs/dbraw/zinc/69/96/33/1310699633.db2.gz NFLSOTSHALICIP-UHFFFAOYSA-N 1 0 332.759 3.276 20 5 EGBDRO CCOC(=O)[C@@]1(C(C)C)CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000801551403 1310964482 /nfs/dbraw/zinc/96/44/82/1310964482.db2.gz RZXZKJSBOLPKTO-KRWDZBQOSA-N 1 0 338.379 3.145 20 5 EGBDRO Cc1ccc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)nc1C ZINC000839164332 1320882754 /nfs/dbraw/zinc/88/27/54/1320882754.db2.gz PCDXRJBXMYZAQD-UHFFFAOYSA-N 1 0 340.427 3.365 20 5 EGBDRO C[N@@H+]1CCC[C@@H]1CCN[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC000839651509 1320951338 /nfs/dbraw/zinc/95/13/38/1320951338.db2.gz GHXCOWCPHCPVOR-YGRLFVJLSA-N 1 0 349.328 3.411 20 5 EGBDRO C[NH+](C)[C@@H](CNc1c([N+](=O)[O-])cccc1[N+](=O)[O-])c1cccc(F)c1 ZINC000804326116 1317219734 /nfs/dbraw/zinc/21/97/34/1317219734.db2.gz HOULKCWXOQGWQL-HNNXBMFYSA-N 1 0 348.334 3.357 20 5 EGBDRO C[N@H+](Cc1ccccc1)[C@@H](CNc1ccc(N)cc1[N+](=O)[O-])C1CC1 ZINC000804623790 1317267642 /nfs/dbraw/zinc/26/76/42/1317267642.db2.gz VNSNIOCWXUTLMJ-IBGZPJMESA-N 1 0 340.427 3.500 20 5 EGBDRO O=[N+]([O-])c1cc(-c2cc(C[NH2+]C3CC3)on2)ccc1N1CCCC1 ZINC000901397685 1317417932 /nfs/dbraw/zinc/41/79/32/1317417932.db2.gz DDHSUTSVDCFNTH-UHFFFAOYSA-N 1 0 328.372 3.102 20 5 EGBDRO CCOC[C@H]1CCN(Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000929779767 1328698099 /nfs/dbraw/zinc/69/80/99/1328698099.db2.gz OEMBFKRSTJMOGI-NSHDSACASA-N 1 0 343.221 3.216 20 5 EGBDRO C[C@@H]([NH2+]CC1(NC(=O)OC(C)(C)C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000901643679 1317457221 /nfs/dbraw/zinc/45/72/21/1317457221.db2.gz DYUKGPRTKGBPSH-GFCCVEGCSA-N 1 0 335.404 3.303 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@@H]3CCCSC3)CC2)cc1 ZINC000806177490 1317468763 /nfs/dbraw/zinc/46/87/63/1317468763.db2.gz BGQVIHZUBMAYKP-AWEZNQCLSA-N 1 0 335.473 3.296 20 5 EGBDRO Cc1ccccc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001019949743 1317473400 /nfs/dbraw/zinc/47/34/00/1317473400.db2.gz XNAQHPPXIZMNBL-HDJSIYSDSA-N 1 0 345.424 3.015 20 5 EGBDRO O=C(CC1CCCCC1)N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001019974708 1317482100 /nfs/dbraw/zinc/48/21/00/1317482100.db2.gz FXOADVWVWKSTKZ-QAQDUYKDSA-N 1 0 345.443 3.302 20 5 EGBDRO C[C@](O)(C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1cccc(F)c1 ZINC000903310153 1317686006 /nfs/dbraw/zinc/68/60/06/1317686006.db2.gz XVQJSFRMFKJTPP-WMZOPIPTSA-N 1 0 330.359 3.219 20 5 EGBDRO CC[NH+](CC)C[C@H](C)NC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000809911379 1317916706 /nfs/dbraw/zinc/91/67/06/1317916706.db2.gz MIFUUSXOVPIURK-JTQLQIEISA-N 1 0 328.800 3.100 20 5 EGBDRO CC[NH2+]Cc1cccc(NC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC000906627841 1318130714 /nfs/dbraw/zinc/13/07/14/1318130714.db2.gz PEHYOGGWPHIVAX-MSOLQXFVSA-N 1 0 339.395 3.447 20 5 EGBDRO Cc1cc(C[NH3+])cc(NC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC000906633703 1318131698 /nfs/dbraw/zinc/13/16/98/1318131698.db2.gz IVCYAQFTQGYVLX-SJORKVTESA-N 1 0 325.368 3.104 20 5 EGBDRO COC(=O)c1cc([N+](=O)[O-])c(N[C@@H](C)C[N@H+](C)C(C)C)cc1Cl ZINC000811848447 1318277770 /nfs/dbraw/zinc/27/77/70/1318277770.db2.gz FKFUZQBIGZPYTO-JTQLQIEISA-N 1 0 343.811 3.175 20 5 EGBDRO C[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1Cl)[N@@H+]1CCCC[C@H]1C ZINC000858478612 1328773646 /nfs/dbraw/zinc/77/36/46/1328773646.db2.gz VVOHJYAVAMVRSJ-VXGBXAGGSA-N 1 0 339.823 3.241 20 5 EGBDRO Cc1ccsc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001021780216 1318679781 /nfs/dbraw/zinc/67/97/81/1318679781.db2.gz UBZKKQBBUQOOQA-OKILXGFUSA-N 1 0 345.424 3.015 20 5 EGBDRO O=C(CC1=CCCCC1)N[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001021900855 1318725572 /nfs/dbraw/zinc/72/55/72/1318725572.db2.gz GHCPVUIZDUDRFZ-GASCZTMLSA-N 1 0 349.456 3.284 20 5 EGBDRO CC1(C)C(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)C1(C)C ZINC001021944158 1318740618 /nfs/dbraw/zinc/74/06/18/1318740618.db2.gz JBUGZOYVFYMCFE-OKILXGFUSA-N 1 0 345.443 3.014 20 5 EGBDRO C[NH2+]Cc1ccccc1NC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000911681874 1318758973 /nfs/dbraw/zinc/75/89/73/1318758973.db2.gz DLHDBRAZCLYGAU-CVEARBPZSA-N 1 0 325.368 3.056 20 5 EGBDRO C[NH+](C)Cc1ccccc1NC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000930125610 1328791488 /nfs/dbraw/zinc/79/14/88/1328791488.db2.gz IVNSGWOGEMSOEY-DLBZAZTESA-N 1 0 339.395 3.399 20 5 EGBDRO C[C@@H](C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)Oc1cccc(F)c1 ZINC000815583927 1319020964 /nfs/dbraw/zinc/02/09/64/1319020964.db2.gz RHVGTGQRWGIGQH-RYUDHWBXSA-N 1 0 333.363 3.434 20 5 EGBDRO C[C@@H]([NH2+]C[C@H](CO)c1ccc(Cl)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815626893 1319031649 /nfs/dbraw/zinc/03/16/49/1319031649.db2.gz OETIJUCFRVIADD-BXUZGUMPSA-N 1 0 349.818 3.257 20 5 EGBDRO C[C@@H](NC(=O)NCCC[N@@H+]1CCCC[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000913925228 1319179546 /nfs/dbraw/zinc/17/95/46/1319179546.db2.gz RARFLTZSBFRBOH-HUUCEWRRSA-N 1 0 348.447 3.220 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000930317865 1328832128 /nfs/dbraw/zinc/83/21/28/1328832128.db2.gz XJWMTVKLCWVBPZ-CYBMUJFWSA-N 1 0 334.420 3.206 20 5 EGBDRO CCc1cccc2c1OCC[C@H]2[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000818997627 1319609723 /nfs/dbraw/zinc/60/97/23/1319609723.db2.gz HLMGZPXRAQPUMR-QZTJIDSGSA-N 1 0 342.395 3.304 20 5 EGBDRO CC[C@@H]1CCCN(C(C)(C)C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000819047627 1319621716 /nfs/dbraw/zinc/62/17/16/1319621716.db2.gz XGDKJZLIWDHOAZ-QAPCUYQASA-N 1 0 349.475 3.118 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCC2Cc3ccccc3C2)cc1 ZINC000819190772 1319662771 /nfs/dbraw/zinc/66/27/71/1319662771.db2.gz JIIQOCANGFTEMY-LJQANCHMSA-N 1 0 326.396 3.023 20 5 EGBDRO CC1(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)Cc2ccccc2C1 ZINC000819202765 1319667249 /nfs/dbraw/zinc/66/72/49/1319667249.db2.gz OHARGUTUAUFMCP-SFHVURJKSA-N 1 0 326.396 3.023 20 5 EGBDRO CCC(CC)[C@@H]1C[C@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000819214458 1319670908 /nfs/dbraw/zinc/67/09/08/1319670908.db2.gz ROZNKAKHVUHPAP-NJAFHUGGSA-N 1 0 336.432 3.202 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H]2CCCOc3c(F)cccc32)c1 ZINC000819213991 1319671089 /nfs/dbraw/zinc/67/10/89/1319671089.db2.gz NBLJOZDEHMHXIA-IRXDYDNUSA-N 1 0 346.358 3.271 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]Cc2cc(Cl)cc3c2OCC3)c1 ZINC000819230451 1319674559 /nfs/dbraw/zinc/67/45/59/1319674559.db2.gz YMTJCDVQUNBDST-MRXNPFEDSA-N 1 0 348.786 3.006 20 5 EGBDRO C[C@@]1(CC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1(Cl)Cl ZINC000819348920 1319706624 /nfs/dbraw/zinc/70/66/24/1319706624.db2.gz JEPCZPQUELQZSU-CHWSQXEVSA-N 1 0 333.215 3.192 20 5 EGBDRO C[C@H](O)c1ncc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)s1 ZINC000824820771 1320288625 /nfs/dbraw/zinc/28/86/25/1320288625.db2.gz MMXJIARGYUJDEI-GXTWGEPZSA-N 1 0 347.440 3.484 20 5 EGBDRO CCCN(CCC[NH+](C)C)C(=O)c1cc(Cl)c(C)cc1[N+](=O)[O-] ZINC000836784359 1320534129 /nfs/dbraw/zinc/53/41/29/1320534129.db2.gz FOLAUVMREMSROF-UHFFFAOYSA-N 1 0 341.839 3.361 20 5 EGBDRO CC[C@H]1CN(CC)CCN1C(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000839416186 1320915989 /nfs/dbraw/zinc/91/59/89/1320915989.db2.gz GTLFYGHQOCKPHF-LBPRGKRZSA-N 1 0 339.823 3.113 20 5 EGBDRO CSCC[C@H](C)[N@H+](C)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839518845 1320931570 /nfs/dbraw/zinc/93/15/70/1320931570.db2.gz BNSCEBNNNLJTBW-JTQLQIEISA-N 1 0 345.852 3.260 20 5 EGBDRO O=[N+]([O-])c1ccc2cnn(C[N@@H+]3CCC[C@]4(CCSC4)C3)c2c1 ZINC000840146641 1321037987 /nfs/dbraw/zinc/03/79/87/1321037987.db2.gz ZKHCCFBXSJDYRK-INIZCTEOSA-N 1 0 332.429 3.121 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)cn1 ZINC000840726609 1321136551 /nfs/dbraw/zinc/13/65/51/1321136551.db2.gz CGWXSRSXEJIYOO-LLVKDONJSA-N 1 0 335.791 3.373 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)cn1 ZINC000840726610 1321136877 /nfs/dbraw/zinc/13/68/77/1321136877.db2.gz CGWXSRSXEJIYOO-NSHDSACASA-N 1 0 335.791 3.373 20 5 EGBDRO CO[C@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)CC(C)C ZINC000841755245 1321307208 /nfs/dbraw/zinc/30/72/08/1321307208.db2.gz IDGAGOPMGLECCI-SFHVURJKSA-N 1 0 335.448 3.214 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCOc1cccnc1)CCCC2 ZINC000841761887 1321308292 /nfs/dbraw/zinc/30/82/92/1321308292.db2.gz HHWUTQMFWNCCCW-GOSISDBHSA-N 1 0 327.384 3.426 20 5 EGBDRO C[NH2+]C[C@H](C)c1noc(-c2csc(-c3cccc([N+](=O)[O-])c3)n2)n1 ZINC000842581923 1321403912 /nfs/dbraw/zinc/40/39/12/1321403912.db2.gz MOAODMVJOPQOLT-VIFPVBQESA-N 1 0 345.384 3.091 20 5 EGBDRO Cc1nn(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCOC2)c2ccc([N+](=O)[O-])cc12 ZINC000842617004 1321407257 /nfs/dbraw/zinc/40/72/57/1321407257.db2.gz PJCUEJAFIIFTJX-RHSMWYFYSA-N 1 0 344.415 3.101 20 5 EGBDRO Cc1cc(Cl)c(C(=O)N(C)CC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000846662150 1321799449 /nfs/dbraw/zinc/79/94/49/1321799449.db2.gz LEICYFLGRIKKDS-UHFFFAOYSA-N 1 0 339.823 3.115 20 5 EGBDRO CC(C)OC(=O)C[C@@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])C(C)C ZINC000847083143 1321839584 /nfs/dbraw/zinc/83/95/84/1321839584.db2.gz MSLLGGKBIPQSEZ-CQSZACIVSA-N 1 0 326.368 3.190 20 5 EGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000848529184 1321970461 /nfs/dbraw/zinc/97/04/61/1321970461.db2.gz LCQKYKXMNRKKQS-OAHLLOKOSA-N 1 0 327.340 3.323 20 5 EGBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000848536922 1321971735 /nfs/dbraw/zinc/97/17/35/1321971735.db2.gz WQMPKRYZYWYPRM-MRXNPFEDSA-N 1 0 327.340 3.323 20 5 EGBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(c2nc3ccccn3c2[N+](=O)[O-])C1 ZINC000919721921 1322098868 /nfs/dbraw/zinc/09/88/68/1322098868.db2.gz BVGJLMBZBDPCFZ-KFWWJZLASA-N 1 0 343.431 3.084 20 5 EGBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000919721957 1322099099 /nfs/dbraw/zinc/09/90/99/1322099099.db2.gz HHXPYOUSQJIJTD-NFAWXSAZSA-N 1 0 348.403 3.345 20 5 EGBDRO C[NH+](C)[C@@H](CNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000920461212 1322181110 /nfs/dbraw/zinc/18/11/10/1322181110.db2.gz UGWDTRRDFIZUEU-GFBZKKKVSA-N 1 0 345.443 3.235 20 5 EGBDRO CC(C)(C)[N@@H+]1CCCN(C(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000931123484 1329055657 /nfs/dbraw/zinc/05/56/57/1329055657.db2.gz PEQCAHZXWUMLFK-SJORKVTESA-N 1 0 345.443 3.031 20 5 EGBDRO CC(C)CC1([NH2+]CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000852682471 1323226124 /nfs/dbraw/zinc/22/61/24/1323226124.db2.gz CBXMCFQIJWNCCD-UHFFFAOYSA-N 1 0 325.796 3.355 20 5 EGBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000925234224 1325090722 /nfs/dbraw/zinc/09/07/22/1325090722.db2.gz AZLRSMNKIDKIQR-JJRVBVJISA-N 1 0 348.447 3.170 20 5 EGBDRO O=[N+]([O-])c1cn(C[N@H+](C2CC2)C2CCCC2)nc1-c1ccccn1 ZINC000853489178 1325102580 /nfs/dbraw/zinc/10/25/80/1325102580.db2.gz IQHRCTDYSOMOAM-UHFFFAOYSA-N 1 0 327.388 3.218 20 5 EGBDRO C[N@H+](CC1CCCCC1)Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853490275 1325103613 /nfs/dbraw/zinc/10/36/13/1325103613.db2.gz SKOQNNFZFMFNNA-UHFFFAOYSA-N 1 0 329.404 3.323 20 5 EGBDRO CC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000853996801 1325199355 /nfs/dbraw/zinc/19/93/55/1325199355.db2.gz RLLXZTQUDBBSRY-OAHLLOKOSA-N 1 0 331.416 3.331 20 5 EGBDRO CC(C)[C@@H]([NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-])c1cnn(C)c1 ZINC000927068759 1327840790 /nfs/dbraw/zinc/84/07/90/1327840790.db2.gz VRUSKQBKNULYBZ-YVEFUNNKSA-N 1 0 334.395 3.385 20 5 EGBDRO CCc1nc(NC(=O)C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)sc1C ZINC000932178983 1329791375 /nfs/dbraw/zinc/79/13/75/1329791375.db2.gz VTMVBSPCVPFJMP-SNVBAGLBSA-N 1 0 348.428 3.211 20 5 EGBDRO C[C@H]([NH2+][C@@H](c1ccccn1)C1CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000932376383 1329809623 /nfs/dbraw/zinc/80/96/23/1329809623.db2.gz ISNFWDKEWKXNDM-YVEFUNNKSA-N 1 0 340.383 3.058 20 5 EGBDRO C[NH+](C)CCN(C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000932693558 1329833968 /nfs/dbraw/zinc/83/39/68/1329833968.db2.gz SVPWCNIXMOBUTO-ZWKOTPCHSA-N 1 0 345.443 3.031 20 5 EGBDRO Cc1ccccc1C[C@H](CO)[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866347093 1330099979 /nfs/dbraw/zinc/09/99/79/1330099979.db2.gz ZZITZRLWEQXZRO-KBXCAEBGSA-N 1 0 346.402 3.167 20 5 EGBDRO Cc1ccc(C[C@@H](CO)[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])cc1 ZINC000866347048 1330100095 /nfs/dbraw/zinc/10/00/95/1330100095.db2.gz ZJBRBSVNXKKRBW-KSSFIOAISA-N 1 0 346.402 3.167 20 5 EGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H](C)[C@H](O)c1ccccc1 ZINC000866358631 1330101999 /nfs/dbraw/zinc/10/19/99/1330101999.db2.gz KOLIOWPMWNWYJI-VFVRVIDISA-N 1 0 332.375 3.377 20 5 EGBDRO CC[C@H](CNC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000867949140 1330232104 /nfs/dbraw/zinc/23/21/04/1330232104.db2.gz OVRDPHNJFKRMDG-KUHUBIRLSA-N 1 0 341.411 3.079 20 5 EGBDRO Cc1cc(C)cc([C@H](C)NC(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)c1 ZINC000867949037 1330232188 /nfs/dbraw/zinc/23/21/88/1330232188.db2.gz LVQVHYMSLUFSJM-LIRRHRJNSA-N 1 0 341.411 3.263 20 5 EGBDRO CC(C)(C)CC(=O)N1CC2(C1)CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001072460624 1355297075 /nfs/dbraw/zinc/29/70/75/1355297075.db2.gz SEUYWAVFGRUYNQ-UHFFFAOYSA-N 1 0 345.443 3.065 20 5 EGBDRO Cc1ccnc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC001183597064 1387322112 /nfs/dbraw/zinc/32/21/12/1387322112.db2.gz GVULGIVPALBXFG-UHFFFAOYSA-N 1 0 326.400 3.057 20 5 EGBDRO CN(C)c1ncccc1C[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC001323378253 1387356504 /nfs/dbraw/zinc/35/65/04/1387356504.db2.gz PDYAPNRXZHBFKZ-UHFFFAOYSA-N 1 0 334.807 3.042 20 5 EGBDRO Cc1c(C(=O)OCc2c(F)cc([N+](=O)[O-])cc2F)ccc2c[nH+]cn21 ZINC001323641328 1387415662 /nfs/dbraw/zinc/41/56/62/1387415662.db2.gz JDSCUDHYHYGEGE-UHFFFAOYSA-N 1 0 347.277 3.186 20 5 EGBDRO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC001324144622 1387548103 /nfs/dbraw/zinc/54/81/03/1387548103.db2.gz CPJJIEDSDPFTBJ-PWSUYJOCSA-N 1 0 340.811 3.243 20 5 EGBDRO CC/C(C)=C\C(=O)N1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001200404940 1369362033 /nfs/dbraw/zinc/36/20/33/1369362033.db2.gz ATPLSYIOZOQQHI-KAMYIIQDSA-N 1 0 331.416 3.032 20 5 EGBDRO COc1cc(N2CC[NH+](C)CC2)ccc1Nc1cccc([N+](=O)[O-])c1 ZINC001204457332 1370482383 /nfs/dbraw/zinc/48/23/83/1370482383.db2.gz VHKTUKAGGWCUEM-UHFFFAOYSA-N 1 0 342.399 3.099 20 5 EGBDRO C[N@H+](Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C1CC(O)C1 ZINC001116583947 1370940913 /nfs/dbraw/zinc/94/09/13/1370940913.db2.gz ZMPCRAWLKKABBC-UHFFFAOYSA-N 1 0 336.775 3.463 20 5 EGBDRO Cc1cncc([N+](=O)[O-])c1N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001117295724 1371034751 /nfs/dbraw/zinc/03/47/51/1371034751.db2.gz FRWHYEXNDSWMHF-NVXWUHKLSA-N 1 0 340.427 3.043 20 5 EGBDRO CCC[N@@H+]1CC[C@@H](CNc2ncnc3c(Cl)cc([N+](=O)[O-])cc23)C1 ZINC001117589379 1371054565 /nfs/dbraw/zinc/05/45/65/1371054565.db2.gz FZKPZMGLWOLNKR-NSHDSACASA-N 1 0 349.822 3.335 20 5 EGBDRO O=C([C@@H]1CCCC[N@@H+]1C1CCCC1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001117794421 1371086880 /nfs/dbraw/zinc/08/68/80/1371086880.db2.gz OEHTYIJLVOZRJJ-SFHVURJKSA-N 1 0 343.427 3.234 20 5 EGBDRO Cc1n[nH]c(=O)c(C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)c1C ZINC001117965947 1371114763 /nfs/dbraw/zinc/11/47/63/1371114763.db2.gz KOERTUJVGROQON-KRWDZBQOSA-N 1 0 342.399 3.265 20 5 EGBDRO CCC1([NH3+])CCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 ZINC001119373037 1371324042 /nfs/dbraw/zinc/32/40/42/1371324042.db2.gz CWOBMPLAYYNVPT-UHFFFAOYSA-N 1 0 333.432 3.236 20 5 EGBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001119447386 1371345316 /nfs/dbraw/zinc/34/53/16/1371345316.db2.gz NVIFHKXJOMWOOU-ZDUSSCGKSA-N 1 0 338.383 3.072 20 5 EGBDRO C[NH+](C)CCCOc1ccc(Nc2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC001209936868 1372236872 /nfs/dbraw/zinc/23/68/72/1372236872.db2.gz XLTJAIFRYSZQQZ-UHFFFAOYSA-N 1 0 330.388 3.251 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1Nc1ccccc1N1CC[NH+](C)CC1 ZINC001210443931 1372354731 /nfs/dbraw/zinc/35/47/31/1372354731.db2.gz ARHDSZHMUSRWGD-UHFFFAOYSA-N 1 0 342.399 3.099 20 5 EGBDRO Cc1c(Cl)cccc1C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001127876258 1373194180 /nfs/dbraw/zinc/19/41/80/1373194180.db2.gz XBIVZMUHHKNLQG-UHFFFAOYSA-N 1 0 347.802 3.076 20 5 EGBDRO Cc1cc(Br)cc([N+](=O)[O-])c1O[C@H]1CCC[NH2+]C[C@@H]1F ZINC001217952566 1373517914 /nfs/dbraw/zinc/51/79/14/1373517914.db2.gz XETDCBNMELIIFR-JQWIXIFHSA-N 1 0 347.184 3.135 20 5 EGBDRO O=[N+]([O-])c1ccc(F)c(Br)c1O[C@H]1CCCC[NH2+]C1 ZINC001217973433 1373522671 /nfs/dbraw/zinc/52/26/71/1373522671.db2.gz JLAJQLJWSSINCY-QMMMGPOBSA-N 1 0 333.157 3.017 20 5 EGBDRO O=[N+]([O-])c1cc(F)c(Br)c(O[C@H]2CCCC[NH2+]C2)c1 ZINC001217975129 1373523596 /nfs/dbraw/zinc/52/35/96/1373523596.db2.gz MBRYFDVTFOAWCK-VIFPVBQESA-N 1 0 333.157 3.017 20 5 EGBDRO C[C@@H]1C[NH2+]CCC[C@H]1Oc1ccc2c(c1)oc1cc(O)ccc1c2=O ZINC001217986577 1373527361 /nfs/dbraw/zinc/52/73/61/1373527361.db2.gz GBRVJPIMIYRVOD-SJKOYZFVSA-N 1 0 339.391 3.419 20 5 EGBDRO C[C@@H]1C[NH2+]CCC[C@H]1Oc1cc(F)c(Br)cc1[N+](=O)[O-] ZINC001217989899 1373527884 /nfs/dbraw/zinc/52/78/84/1373527884.db2.gz RJHSSJYSAQKOOA-PRHODGIISA-N 1 0 347.184 3.263 20 5 EGBDRO CC(C)(C)OC(=O)c1ccc([N+](=O)[O-])c(O[C@H]2CCC[NH2+]CC2)c1 ZINC001217998539 1373530996 /nfs/dbraw/zinc/53/09/96/1373530996.db2.gz AFGOHAZZQDDWSO-ZDUSSCGKSA-N 1 0 336.388 3.071 20 5 EGBDRO C[C@H](Oc1cc(F)c(Br)cc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC001218002533 1373531882 /nfs/dbraw/zinc/53/18/82/1373531882.db2.gz HIQJHSJBDZHLJD-QMMMGPOBSA-N 1 0 347.184 3.263 20 5 EGBDRO C[C@@H]1CC[NH2+]CC[C@H]1Oc1ccc(Br)cc1[N+](=O)[O-] ZINC001218024470 1373540463 /nfs/dbraw/zinc/54/04/63/1373540463.db2.gz AGZTWVCHQNDIOP-BXKDBHETSA-N 1 0 329.194 3.124 20 5 EGBDRO O=[N+]([O-])c1ccc(Br)c(O[C@H]2CCC[C@@]23CC[NH2+]C3)c1 ZINC001218089801 1373557629 /nfs/dbraw/zinc/55/76/29/1373557629.db2.gz KLWWHDBKQRDQCE-KBPBESRZSA-N 1 0 341.205 3.268 20 5 EGBDRO CC(C)(C)c1cc([N+](=O)[O-])c(O[C@H]2CC[C@@]23CC[NH2+]C3)c([N+](=O)[O-])c1 ZINC001218116945 1373563385 /nfs/dbraw/zinc/56/33/85/1373563385.db2.gz LNNPSQAYUMFRKJ-YOEHRIQHSA-N 1 0 349.387 3.321 20 5 EGBDRO O=[N+]([O-])c1cc([N+](=O)[O-])c(O[C@@H]2CC[C@]23CC[NH2+]C3)c2ccccc21 ZINC001218120027 1373564241 /nfs/dbraw/zinc/56/42/41/1373564241.db2.gz SAFOIBSFAUOTQC-NVXWUHKLSA-N 1 0 343.339 3.177 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(O[C@H]3CC[C@@H]4[NH2+]CCO[C@H]43)cc2)cc1 ZINC001218150228 1373569796 /nfs/dbraw/zinc/56/97/96/1373569796.db2.gz FZPAZXTYRWKHFD-GBESFXJTSA-N 1 0 340.379 3.160 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2cccc(O[C@H]3C[NH2+][C@@H]4CCCO[C@@H]43)c2)c1 ZINC001218166223 1373571999 /nfs/dbraw/zinc/57/19/99/1373571999.db2.gz FSUJKOQZPCBKOU-QYZOEREBSA-N 1 0 340.379 3.160 20 5 EGBDRO C[C@@H](Oc1ccc([C@H](C)[NH3+])cc1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001218215433 1373579544 /nfs/dbraw/zinc/57/95/44/1373579544.db2.gz SGMJNCXOWLVLBK-WDEREUQCSA-N 1 0 330.340 3.483 20 5 EGBDRO O=[N+]([O-])c1ccc(Br)cc1O[C@H]1CC[NH2+]C2(CCC2)C1 ZINC001218305442 1373592523 /nfs/dbraw/zinc/59/25/23/1373592523.db2.gz DNIVQTFNJPNCQU-NSHDSACASA-N 1 0 341.205 3.411 20 5 EGBDRO C[C@@H]1CC[C@H](Oc2c3ccccc3c([N+](=O)[O-])cc2[N+](=O)[O-])C[NH2+]1 ZINC001218409142 1373609401 /nfs/dbraw/zinc/60/94/01/1373609401.db2.gz WZSGRIZRFVUZCU-MNOVXSKESA-N 1 0 331.328 3.176 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(O[C@@H]2C[NH2+]Cc3ccccc32)cc1[N+](=O)[O-] ZINC001218492599 1373625507 /nfs/dbraw/zinc/62/55/07/1373625507.db2.gz ZKKVLNQPMSDVDB-MRXNPFEDSA-N 1 0 329.312 3.035 20 5 EGBDRO Nc1cc2nc3ccccc3nc2cc1NC(=O)c1cccc(C[NH3+])c1 ZINC001218858758 1373662139 /nfs/dbraw/zinc/66/21/39/1373662139.db2.gz GMAYFSLPPVYBPT-UHFFFAOYSA-N 1 0 343.390 3.076 20 5 EGBDRO Cc1cc(Cl)cc(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC001131363117 1373683882 /nfs/dbraw/zinc/68/38/82/1373683882.db2.gz VSTVQKMSHGTFKI-UHFFFAOYSA-N 1 0 347.802 3.076 20 5 EGBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Oc1ccc([N+](=O)[O-])cn1 ZINC001225634527 1375136184 /nfs/dbraw/zinc/13/61/84/1375136184.db2.gz ZVKOCVWICCVLTI-RHSMWYFYSA-N 1 0 327.384 3.279 20 5 EGBDRO C[N@@H+]1CCC[C@@H](Oc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC001225658383 1375139658 /nfs/dbraw/zinc/13/96/58/1375139658.db2.gz GZLGARUGIXKZDP-LLVKDONJSA-N 1 0 329.194 3.220 20 5 EGBDRO COCCC[NH+]1CCC(Oc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC001225713212 1375149267 /nfs/dbraw/zinc/14/92/67/1375149267.db2.gz QNXPMTUTHUHVIW-UHFFFAOYSA-N 1 0 328.796 3.128 20 5 EGBDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1Oc1ncc([N+](=O)[O-])cn1 ZINC001226731846 1375319602 /nfs/dbraw/zinc/31/96/02/1375319602.db2.gz QMONRABKBHMOGJ-INIZCTEOSA-N 1 0 342.399 3.064 20 5 EGBDRO Cc1nc(Cl)nc(O[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)c1[N+](=O)[O-] ZINC001227339749 1375421299 /nfs/dbraw/zinc/42/12/99/1375421299.db2.gz KOPJTVQJUCYGFW-GDNZZTSVSA-N 1 0 340.811 3.129 20 5 EGBDRO C[C@@H](C[NH+](C)C)Oc1c2ccccc2c(O)c2c(O)ccc(O)c12 ZINC001228171895 1375523465 /nfs/dbraw/zinc/52/34/65/1375523465.db2.gz SWIKLRHJQZURGA-NSHDSACASA-N 1 0 327.380 3.439 20 5 EGBDRO CC[NH+](CC)C[C@H](C)Oc1nc(C)c([N+](=O)[O-])cc1Br ZINC001228621244 1375618292 /nfs/dbraw/zinc/61/82/92/1375618292.db2.gz NWHFNFMDFVFXOR-VIFPVBQESA-N 1 0 346.225 3.170 20 5 EGBDRO CC[NH+](CC)C[C@H](C)Oc1ccc([N+](=O)[O-])c(Br)c1 ZINC001229080829 1375758954 /nfs/dbraw/zinc/75/89/54/1375758954.db2.gz KRQTVEYDOYZMCU-JTQLQIEISA-N 1 0 331.210 3.466 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)ccc1O[C@H]1CC[C@H]([NH+]2CCOCC2)CC1 ZINC001229378596 1375823257 /nfs/dbraw/zinc/82/32/57/1375823257.db2.gz YOJJRIJSZBSGLJ-HDJSIYSDSA-N 1 0 340.807 3.270 20 5 EGBDRO Cc1c(C)c([N+](=O)[O-])ccc1OC[C@H]1CCC2(CC[NH+](C)CC2)O1 ZINC001229883171 1375911725 /nfs/dbraw/zinc/91/17/25/1375911725.db2.gz SWJJYKHQRWVJRB-OAHLLOKOSA-N 1 0 334.416 3.234 20 5 EGBDRO CC(C)N1CC[C@H](Oc2c(Br)c(F)ccc2[N+](=O)[O-])C1 ZINC001230686035 1376126133 /nfs/dbraw/zinc/12/61/33/1376126133.db2.gz VCRDLBBGSGTAET-VIFPVBQESA-N 1 0 347.184 3.358 20 5 EGBDRO O=[N+]([O-])c1nc(Cl)ccc1OC1CCN(c2cc[nH+]cc2)CC1 ZINC001230878396 1376173689 /nfs/dbraw/zinc/17/36/89/1376173689.db2.gz FDBJXXVJMIJVBL-UHFFFAOYSA-N 1 0 334.763 3.086 20 5 EGBDRO Cc1ccnc([N+](=O)[O-])c1O[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001233551687 1376668257 /nfs/dbraw/zinc/66/82/57/1376668257.db2.gz RCZNSNGUOJLLFG-MRXNPFEDSA-N 1 0 327.384 3.342 20 5 EGBDRO COc1cc(CC[N+](=O)[O-])ccc1OC1CC[NH+](C(C)(C)C)CC1 ZINC001233984930 1376748365 /nfs/dbraw/zinc/74/83/65/1376748365.db2.gz RAQQSHXERTUKFL-UHFFFAOYSA-N 1 0 336.432 3.156 20 5 EGBDRO CCN(C)[C@@H](C(=O)OCc1ccc(F)cc1[N+](=O)[O-])c1ccccc1 ZINC001327947019 1388630900 /nfs/dbraw/zinc/63/09/00/1388630900.db2.gz ZRMFRORBTVYKPF-QGZVFWFLSA-N 1 0 346.358 3.470 20 5 EGBDRO C[C@H]1C[NH2+]CCC[C@H]1CNc1cc([N+](=O)[O-])cc2c(Cl)ncnc12 ZINC001155029836 1380394411 /nfs/dbraw/zinc/39/44/11/1380394411.db2.gz NOOLWMSZBUXOOK-QWRGUYRKSA-N 1 0 349.822 3.239 20 5 EGBDRO c1cnc2c(c1)ccc1ccc(NC[C@H]3CO[C@@]4(C3)CCC[NH2+]C4)nc12 ZINC001155592905 1380471098 /nfs/dbraw/zinc/47/10/98/1380471098.db2.gz URMHUGPBAFKRPC-YCRPNKLZSA-N 1 0 348.450 3.354 20 5 EGBDRO O=C(CC1=CCCCC1)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001155749333 1380488913 /nfs/dbraw/zinc/48/89/13/1380488913.db2.gz VLWWWKTYPZHCAG-UHFFFAOYSA-N 1 0 331.416 3.081 20 5 EGBDRO C[NH+](C)Cc1cccc(CNc2cc([N+](=O)[O-])c3cc[nH]c3n2)c1 ZINC001156048105 1380517874 /nfs/dbraw/zinc/51/78/74/1380517874.db2.gz NXECGANPAUWKBW-UHFFFAOYSA-N 1 0 325.372 3.145 20 5 EGBDRO O=[N+]([O-])c1ccc2c(ccnc2N2CC[NH2+]C[C@H]2c2cccs2)c1 ZINC001156120628 1380528124 /nfs/dbraw/zinc/52/81/24/1380528124.db2.gz LEAZAHJKVUFPBB-HNNXBMFYSA-N 1 0 340.408 3.355 20 5 EGBDRO [NH3+]CCc1cn(-c2nccc3cc([N+](=O)[O-])ccc32)c2ccc(O)cc12 ZINC001157225107 1380815965 /nfs/dbraw/zinc/81/59/65/1380815965.db2.gz QVZXXOWIFNCBFP-UHFFFAOYSA-N 1 0 348.362 3.294 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)nc(N(Cc2ccccc2)[C@@H]2CCC[NH2+]C2)c1 ZINC001157425613 1380883499 /nfs/dbraw/zinc/88/34/99/1380883499.db2.gz BLVZNANEHUTQKJ-CQSZACIVSA-N 1 0 346.818 3.402 20 5 EGBDRO CC1(CC(=O)NCCC[NH2+]Cc2csc([N+](=O)[O-])c2)CCCC1 ZINC001157461870 1380909558 /nfs/dbraw/zinc/90/95/58/1380909558.db2.gz MXUABOLUYOFQIO-UHFFFAOYSA-N 1 0 339.461 3.223 20 5 EGBDRO O=[N+]([O-])c1cccc2nc(N3CCCC[C@@]34CCC[NH2+]C4)ccc21 ZINC001157471160 1380924372 /nfs/dbraw/zinc/92/43/72/1380924372.db2.gz DQICXUGSUYGNKG-SFHVURJKSA-N 1 0 326.400 3.256 20 5 EGBDRO C[NH+](C)[C@H]1CCCC[C@@H]1Nc1ccc(-c2ccccc2[N+](=O)[O-])nn1 ZINC001157802961 1381038044 /nfs/dbraw/zinc/03/80/44/1381038044.db2.gz FSDZJELQNFVLHA-RDJZCZTQSA-N 1 0 341.415 3.337 20 5 EGBDRO Cc1nc(Cl)nc(N[C@@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)c1[N+](=O)[O-] ZINC001158265382 1381178045 /nfs/dbraw/zinc/17/80/45/1381178045.db2.gz GSGVPUZNGVLENZ-BMIGLBTASA-N 1 0 341.843 3.302 20 5 EGBDRO C[NH+]1CCC(N(c2cc(Cl)cc([N+](=O)[O-])n2)C2CCCC2)CC1 ZINC001158487801 1381265317 /nfs/dbraw/zinc/26/53/17/1381265317.db2.gz DCNAEGORAVQKMH-UHFFFAOYSA-N 1 0 338.839 3.486 20 5 EGBDRO Cc1cc2nc3ccc(N(C)C)cc3nc2cc1NC1=CC[NH2+]CC1 ZINC001159656061 1381860540 /nfs/dbraw/zinc/86/05/40/1381860540.db2.gz ODIBZFDOKPBDEZ-UHFFFAOYSA-N 1 0 333.439 3.447 20 5 EGBDRO O=[N+]([O-])c1cccc(Nc2ccc(N3CC[NH2+]CC3)c(Cl)c2)c1 ZINC001159859554 1381922688 /nfs/dbraw/zinc/92/26/88/1381922688.db2.gz WOOGZRWXBGKUDN-UHFFFAOYSA-N 1 0 332.791 3.401 20 5 EGBDRO COc1ccc(Nc2ccc(O[C@H]3CC[NH2+]C3)cc2)c([N+](=O)[O-])c1 ZINC001159920643 1381937235 /nfs/dbraw/zinc/93/72/35/1381937235.db2.gz LWWRAHZPWDJWHK-HNNXBMFYSA-N 1 0 329.356 3.088 20 5 EGBDRO [NH3+][C@@H]1CCN(c2c(F)cccc2Nc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001160116022 1382001215 /nfs/dbraw/zinc/00/12/15/1382001215.db2.gz ARMFIXXYYDIRJD-LLVKDONJSA-N 1 0 334.326 3.154 20 5 EGBDRO Nc1ccc(Nc2ccccc2OCC2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC001160188416 1382028049 /nfs/dbraw/zinc/02/80/49/1382028049.db2.gz VANHJWXHLOFNPE-UHFFFAOYSA-N 1 0 342.399 3.299 20 5 EGBDRO CC[NH+](CC)C1CCN(c2cc(C)c([N+](=O)[O-])cc2C(=O)OC)CC1 ZINC001328505002 1388766586 /nfs/dbraw/zinc/76/65/86/1388766586.db2.gz IOEIFDVUJCNGNN-UHFFFAOYSA-N 1 0 349.431 3.000 20 5 EGBDRO CN(Cc1c2ccccc2cc2ccccc21)C(=O)[C@@H]1C[NH2+]CCC1=O ZINC001160738619 1382182718 /nfs/dbraw/zinc/18/27/18/1382182718.db2.gz OPDKVAMXPTZMLV-LJQANCHMSA-N 1 0 346.430 3.130 20 5 EGBDRO COc1cccc2c1c(C[NH3+])cn2-c1ncc(Cl)cc1[N+](=O)[O-] ZINC001160759716 1382188466 /nfs/dbraw/zinc/18/84/66/1382188466.db2.gz KWSYNXLWMKMXHZ-UHFFFAOYSA-N 1 0 332.747 3.054 20 5 EGBDRO [NH3+]Cc1ccccc1CNc1ccc(-c2ccccc2[N+](=O)[O-])nn1 ZINC001160908324 1382230315 /nfs/dbraw/zinc/23/03/15/1382230315.db2.gz LPICNHWIWQZLST-UHFFFAOYSA-N 1 0 335.367 3.123 20 5 EGBDRO Cc1ccc2c(ccnc2NC[C@@H]2CCC[NH2+]C[C@@H]2C)c1[N+](=O)[O-] ZINC001162452127 1382760388 /nfs/dbraw/zinc/76/03/88/1382760388.db2.gz BDZOXTBFNYOWAG-KBPBESRZSA-N 1 0 328.416 3.499 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)c(F)cnc2NC[C@@]1(F)CCCC[NH2+]C1 ZINC001162579081 1382796709 /nfs/dbraw/zinc/79/67/09/1382796709.db2.gz FDZOKSWSAMHHMW-MRXNPFEDSA-N 1 0 336.342 3.176 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(N[C@H]3COCCC34C[NH2+]C4)cc2)cc1 ZINC001163080874 1382961193 /nfs/dbraw/zinc/96/11/93/1382961193.db2.gz VFHKJOGEYUGARU-SFHVURJKSA-N 1 0 339.395 3.052 20 5 EGBDRO O=[N+]([O-])c1cc2c(nc1N[C@@H]1CC[NH2+][C@H]1c1ccccc1)CCCC2 ZINC001163209487 1382993383 /nfs/dbraw/zinc/99/33/83/1382993383.db2.gz JXVQZZPYRPRXGD-AEFFLSMTSA-N 1 0 338.411 3.384 20 5 EGBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N[C@@H]2CC[N@@H+](C(C)C)C[C@H]2C)n1 ZINC001163365376 1383031868 /nfs/dbraw/zinc/03/18/68/1383031868.db2.gz ZHBKFWMTWNSWBA-ZWNOBZJWSA-N 1 0 326.828 3.482 20 5 EGBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N[C@H]2CC[N@@H+](C(C)C)C[C@H]2C)n1 ZINC001163365375 1383032057 /nfs/dbraw/zinc/03/20/57/1383032057.db2.gz ZHBKFWMTWNSWBA-MFKMUULPSA-N 1 0 326.828 3.482 20 5 EGBDRO O=C(NCCC[NH2+]Cc1ccccc1[N+](=O)[O-])C1(C2CCC2)CCC1 ZINC001163455625 1383055440 /nfs/dbraw/zinc/05/54/40/1383055440.db2.gz LEBFYPYZZPGZNW-UHFFFAOYSA-N 1 0 345.443 3.161 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1N[C@H]1CCCC[C@@]12C[NH2+]CCO2 ZINC001163650730 1383095630 /nfs/dbraw/zinc/09/56/30/1383095630.db2.gz RKAIBGBFFAFNKU-MAUKXSAKSA-N 1 0 333.432 3.233 20 5 EGBDRO Cc1c(C)n(-c2cc([N+](=O)[O-])c3nccn3c2)c2ccc(C[NH3+])cc12 ZINC001163761463 1383119092 /nfs/dbraw/zinc/11/90/92/1383119092.db2.gz OJZIETMXFYSKIX-UHFFFAOYSA-N 1 0 335.367 3.262 20 5 EGBDRO [NH3+]CC1(c2ccccc2)CCN(c2nccc(Cl)c2[N+](=O)[O-])CC1 ZINC001164436116 1383186513 /nfs/dbraw/zinc/18/65/13/1383186513.db2.gz XVOVCUIBELKXCL-UHFFFAOYSA-N 1 0 346.818 3.140 20 5 EGBDRO C[NH2+]Cc1cccc(Nc2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)c1 ZINC001167033095 1383523557 /nfs/dbraw/zinc/52/35/57/1383523557.db2.gz HZJZRCDFCVWFET-UHFFFAOYSA-N 1 0 349.394 3.245 20 5 EGBDRO C[NH2+]Cc1c(C)nn(-c2nc3ccccc3c(Cl)c2[N+](=O)[O-])c1C ZINC001167098078 1383538446 /nfs/dbraw/zinc/53/84/46/1383538446.db2.gz BQOJUMPKLROFRQ-UHFFFAOYSA-N 1 0 345.790 3.318 20 5 EGBDRO C[C@H]1CCCC[N@@H+]1CCCNc1ccc2nsnc2c1[N+](=O)[O-] ZINC001167754555 1383732506 /nfs/dbraw/zinc/73/25/06/1383732506.db2.gz ZEKISDLDMVMCHU-NSHDSACASA-N 1 0 335.433 3.276 20 5 EGBDRO C[NH+](C)[C@H]1CCCC[C@@H]1Nc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC001168601259 1383945837 /nfs/dbraw/zinc/94/58/37/1383945837.db2.gz KJEWOPZTUUZZLP-RYUDHWBXSA-N 1 0 332.326 3.293 20 5 EGBDRO [NH3+]Cc1ccc2ncn(-c3ncc(F)c4cc([N+](=O)[O-])ccc43)c2c1 ZINC001168841073 1384028708 /nfs/dbraw/zinc/02/87/08/1384028708.db2.gz PLGWKNSYDKJVAR-UHFFFAOYSA-N 1 0 337.314 3.080 20 5 EGBDRO O=C(c1ccccc1)c1ccc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001168968490 1384073847 /nfs/dbraw/zinc/07/38/47/1384073847.db2.gz ZKHFLJDZGQFZRS-VQIMIIECSA-N 1 0 338.407 3.453 20 5 EGBDRO Cc1ccc(F)c(CN2CCC([NH2+][C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)c1 ZINC001168990894 1384081249 /nfs/dbraw/zinc/08/12/49/1384081249.db2.gz FGJDRFNTXJYIPQ-YJBOKZPZSA-N 1 0 349.450 3.134 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]C2(c3cccc(Cl)c3)CCOCC2)C1 ZINC001168997943 1384082502 /nfs/dbraw/zinc/08/25/02/1384082502.db2.gz GSROOLFFFYHYJG-BBRMVZONSA-N 1 0 338.835 3.381 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H]2C[C@@H]2c2ccc(Br)cc2)C1 ZINC001169006157 1384085975 /nfs/dbraw/zinc/08/59/75/1384085975.db2.gz FMSJLLGXSUITAK-KAOXEZKKSA-N 1 0 339.233 3.340 20 5 EGBDRO O=C(OCc1ccccc1)[C@@H]1CCCC[N@H+]1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169007747 1384086874 /nfs/dbraw/zinc/08/68/74/1384086874.db2.gz PYTFDJLEYJXRAQ-BZSNNMDCSA-N 1 0 346.427 3.030 20 5 EGBDRO COc1ccccc1CC1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169013391 1384089384 /nfs/dbraw/zinc/08/93/84/1384089384.db2.gz USPWJYUTLKGFDX-FUHWJXTLSA-N 1 0 332.444 3.395 20 5 EGBDRO COc1ccccc1CC1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169013392 1384089494 /nfs/dbraw/zinc/08/94/94/1384089494.db2.gz USPWJYUTLKGFDX-SJLPKXTDSA-N 1 0 332.444 3.395 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCc3ccc(Br)cc3C2)C1 ZINC001169033273 1384094188 /nfs/dbraw/zinc/09/41/88/1384094188.db2.gz BQTZCLJRTMNZJM-ABAIWWIYSA-N 1 0 339.233 3.253 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CC[C@@]3(CCCN3Cc3ccccc3)C2)C1 ZINC001169042440 1384099377 /nfs/dbraw/zinc/09/93/77/1384099377.db2.gz DLVNTPDMFAGJIP-AABGKKOBSA-N 1 0 343.471 3.172 20 5 EGBDRO CN(Cc1ccccc1F)C1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169043805 1384099703 /nfs/dbraw/zinc/09/97/03/1384099703.db2.gz HUWBZRZXYOVAMU-CRAIPNDOSA-N 1 0 349.450 3.167 20 5 EGBDRO COc1ccccc1S[C@@H]1CC[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169047458 1384100316 /nfs/dbraw/zinc/10/03/16/1384100316.db2.gz RCXKDVVQNDUFSP-QLFBSQMISA-N 1 0 336.457 3.307 20 5 EGBDRO CN(Cc1cccc(F)c1)C1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169046375 1384100348 /nfs/dbraw/zinc/10/03/48/1384100348.db2.gz LNHRGAQQGKTICD-LPHOPBHVSA-N 1 0 349.450 3.167 20 5 EGBDRO CN1CCC([N@H+](Cc2ccc(F)cc2)[C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169055825 1384101277 /nfs/dbraw/zinc/10/12/77/1384101277.db2.gz QQZOHDLLBDNWKU-QFBILLFUSA-N 1 0 349.450 3.167 20 5 EGBDRO COC(=O)c1ccc([C@@H]2CCC[N@@H+]2[C@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001169057837 1384101784 /nfs/dbraw/zinc/10/17/84/1384101784.db2.gz XYQPAMUROFLCTP-COXVUDFISA-N 1 0 332.400 3.056 20 5 EGBDRO CC1(C)C[C@@H](Nc2ccc3nc[nH]c3c2[N+](=O)[O-])C[C@](C)(C[NH3+])C1 ZINC001169152120 1384115601 /nfs/dbraw/zinc/11/56/01/1384115601.db2.gz OTEOIXDRMHSQMZ-DIFFPNOSSA-N 1 0 331.420 3.427 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+]CCC2(O)CCCCC2)c([N+](=O)[O-])c1 ZINC001170297008 1384284408 /nfs/dbraw/zinc/28/44/08/1384284408.db2.gz JPRVAHFVEIISLD-AWEZNQCLSA-N 1 0 336.432 3.209 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+]Cc2ccccc2N(C)C)c([N+](=O)[O-])c1 ZINC001170295667 1384284727 /nfs/dbraw/zinc/28/47/27/1384284727.db2.gz DJHNENHGPNCAOP-AWEZNQCLSA-N 1 0 343.427 3.390 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+]C[C@H]2Cc3ccccc3O2)c([N+](=O)[O-])c1 ZINC001170298022 1384285023 /nfs/dbraw/zinc/28/50/23/1384285023.db2.gz YKMMWPAMMNEQCL-CXAGYDPISA-N 1 0 342.395 3.128 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+][C@H]2COc3ccccc32)c([N+](=O)[O-])c1 ZINC001170305624 1384286906 /nfs/dbraw/zinc/28/69/06/1384286906.db2.gz OFKREEIMENRPCA-LRDDRELGSA-N 1 0 328.368 3.258 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+][C@H](CO)C2CCCCC2)c([N+](=O)[O-])c1 ZINC001170304710 1384287226 /nfs/dbraw/zinc/28/72/26/1384287226.db2.gz GDEMLZFQLVSBPN-CXAGYDPISA-N 1 0 336.432 3.065 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2ccc(OC)c(F)c2)c([N+](=O)[O-])c1 ZINC001170305839 1384287257 /nfs/dbraw/zinc/28/72/57/1384287257.db2.gz QNPQATRVIZCNDQ-GFCCVEGCSA-N 1 0 348.374 3.472 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2ccncc2Cl)c([N+](=O)[O-])c1 ZINC001170313009 1384288564 /nfs/dbraw/zinc/28/85/64/1384288564.db2.gz IHWNSPAHSGCBBI-LLVKDONJSA-N 1 0 335.791 3.373 20 5 EGBDRO COc1ccc(C[C@@H](C)N2C[C@@H](C[NH3+])c3ccccc32)c([N+](=O)[O-])c1 ZINC001170315315 1384289151 /nfs/dbraw/zinc/28/91/51/1384289151.db2.gz XBXWRSSCEGLCDJ-UKRRQHHQSA-N 1 0 341.411 3.097 20 5 EGBDRO CCC(CC)N1CC[C@H]([NH2+][C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170318955 1384290177 /nfs/dbraw/zinc/29/01/77/1384290177.db2.gz TYDNXIBOQVPTDB-ZBFHGGJFSA-N 1 0 349.475 3.387 20 5 EGBDRO CC[N@H+](Cc1cccnc1)[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170345171 1384295765 /nfs/dbraw/zinc/29/57/65/1384295765.db2.gz HFPAWEIGEQCZIZ-AWEZNQCLSA-N 1 0 329.400 3.452 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@H]1COc3ccccc3C1)CC2 ZINC001172895290 1384873783 /nfs/dbraw/zinc/87/37/83/1384873783.db2.gz BSSVWGGBOGHXEH-QZTJIDSGSA-N 1 0 338.407 3.436 20 5 EGBDRO C[C@H]1C[C@H]2C[N@@H+]([C@@H]3CCc4ccc([N+](=O)[O-])cc4CC3)CC[C@H]2O1 ZINC001172902884 1384875044 /nfs/dbraw/zinc/87/50/44/1384875044.db2.gz DALSWFSYLSLUDK-CKNFYHOISA-N 1 0 330.428 3.342 20 5 EGBDRO C[N@H+](CC(=O)OC(C)(C)C)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172905787 1384875491 /nfs/dbraw/zinc/87/54/91/1384875491.db2.gz UIJOSXSSHVYWDX-OAHLLOKOSA-N 1 0 334.416 3.116 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1CC[C@@]3(C1)CCCCO3)CC2 ZINC001172904405 1384875524 /nfs/dbraw/zinc/87/55/24/1384875524.db2.gz NDPHEFBKNCRCPF-PKOBYXMFSA-N 1 0 330.428 3.487 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]Cc1cnn3ccccc13)CC2 ZINC001172909680 1384876443 /nfs/dbraw/zinc/87/64/43/1384876443.db2.gz UWVIRMSXMOEANA-KRWDZBQOSA-N 1 0 336.395 3.280 20 5 EGBDRO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CCc3ccc([N+](=O)[O-])cc3CC1)C2 ZINC001172913627 1384876491 /nfs/dbraw/zinc/87/64/91/1384876491.db2.gz XXEANJBEKCQZNU-AKHDSKFASA-N 1 0 343.471 3.447 20 5 EGBDRO CN(C1CC1)[C@H]1CC[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172920048 1384879135 /nfs/dbraw/zinc/87/91/35/1384879135.db2.gz IDIIAVMYUCFRTN-HKUYNNGSSA-N 1 0 329.444 3.011 20 5 EGBDRO CN(C1CC1)[C@@H]1CC[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172920055 1384879420 /nfs/dbraw/zinc/87/94/20/1384879420.db2.gz IDIIAVMYUCFRTN-PKOBYXMFSA-N 1 0 329.444 3.011 20 5 EGBDRO CC1(C)C[C@@H]1[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173006856 1384898015 /nfs/dbraw/zinc/89/80/15/1384898015.db2.gz ANAQAAZWFLFRJT-AWEZNQCLSA-N 1 0 325.359 3.230 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@H](C)c2ccncc2)c1F ZINC001173175109 1384930760 /nfs/dbraw/zinc/93/07/60/1384930760.db2.gz KWMSGNVLOJFNNR-NWDGAFQWSA-N 1 0 333.363 3.419 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CCOC2CCCC2)c1F ZINC001173184217 1384932368 /nfs/dbraw/zinc/93/23/68/1384932368.db2.gz OXJWKVFAULKWGE-LBPRGKRZSA-N 1 0 340.395 3.222 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CCCOC(C)(C)C)c1F ZINC001173182075 1384932529 /nfs/dbraw/zinc/93/25/29/1384932529.db2.gz ZGLHWDZUKPMSGO-GFCCVEGCSA-N 1 0 342.411 3.468 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CCc3ccncc3C2)c1F ZINC001173188944 1384933060 /nfs/dbraw/zinc/93/30/60/1384933060.db2.gz IFGSHASOYHNJSY-LBPRGKRZSA-N 1 0 345.374 3.127 20 5 EGBDRO CC(C)[C@@H](N[C@H](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C ZINC001173211197 1384936075 /nfs/dbraw/zinc/93/60/75/1384936075.db2.gz QYXQURUUDLETFE-CZUORRHYSA-N 1 0 336.432 3.482 20 5 EGBDRO Cc1ccc2c(n1)N(C)CC[N@@H+]([C@@H](C)Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001173225331 1384939721 /nfs/dbraw/zinc/93/97/21/1384939721.db2.gz NKTCXWFYKJPWFF-HNNXBMFYSA-N 1 0 340.427 3.181 20 5 EGBDRO CCOC(=O)[C@]1(C)CCC[N@@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173231471 1384940773 /nfs/dbraw/zinc/94/07/73/1384940773.db2.gz LJHSOELWJAIIPI-RDTXWAMCSA-N 1 0 334.416 3.191 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCOC[C@H]1Cc1ccccc1 ZINC001173231495 1384940967 /nfs/dbraw/zinc/94/09/67/1384940967.db2.gz LOGRZHODIRPLDD-OXQOHEQNSA-N 1 0 340.423 3.469 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC001173234247 1384942070 /nfs/dbraw/zinc/94/20/70/1384942070.db2.gz QLNSVCQMVVXSBN-ZDUSSCGKSA-N 1 0 349.431 3.077 20 5 EGBDRO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC001318396553 1385670822 /nfs/dbraw/zinc/67/08/22/1385670822.db2.gz IDIITDNKJBQMHX-KGLIPLIRSA-N 1 0 340.811 3.243 20 5 EGBDRO CC[NH+](CC)C1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC001318406360 1385675625 /nfs/dbraw/zinc/67/56/25/1385675625.db2.gz OWJPPYZYEUBQCR-UHFFFAOYSA-N 1 0 344.415 3.023 20 5 EGBDRO O=C(NCCCCCC[NH2+]Cc1cccc([N+](=O)[O-])c1)C1CCC1 ZINC001177730245 1386029525 /nfs/dbraw/zinc/02/95/25/1386029525.db2.gz IBKJTBWNNSNPQX-UHFFFAOYSA-N 1 0 333.432 3.161 20 5 EGBDRO CC(F)(F)C(=O)NCCCCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001177734616 1386030622 /nfs/dbraw/zinc/03/06/22/1386030622.db2.gz ULUWQZMKDVOCHM-UHFFFAOYSA-N 1 0 343.374 3.016 20 5 EGBDRO CC[C@@H]([NH2+]C[C@H](CO)CC1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC001320881470 1386747192 /nfs/dbraw/zinc/74/71/92/1386747192.db2.gz WUNNQFKOQWKTEY-CRAIPNDOSA-N 1 0 336.432 3.061 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC001320999836 1386780271 /nfs/dbraw/zinc/78/02/71/1386780271.db2.gz OTHCYZHSCNZHHF-UHFFFAOYSA-N 1 0 334.420 3.160 20 5 EGBDRO Cn1cncc1C1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC001337456986 1389351476 /nfs/dbraw/zinc/35/14/76/1389351476.db2.gz BZRYCRPUYPJVOH-UHFFFAOYSA-N 1 0 337.383 3.261 20 5 EGBDRO C[C@H]([NH2+]CCOc1ccc2c(c1)CCC2)c1ccc(N)c([N+](=O)[O-])c1 ZINC001330357509 1389395902 /nfs/dbraw/zinc/39/59/02/1389395902.db2.gz UVSBQBSPGONZTF-ZDUSSCGKSA-N 1 0 341.411 3.395 20 5 EGBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)C[C@H]1C ZINC001337680940 1389416526 /nfs/dbraw/zinc/41/65/26/1389416526.db2.gz YGZBONDGLBCMKB-DGCLKSJQSA-N 1 0 338.383 3.070 20 5 EGBDRO CCC[N@@H+]1CC[C@@H](Nc2ncnc3c(Cl)cc([N+](=O)[O-])cc23)C1 ZINC001330689979 1389499259 /nfs/dbraw/zinc/49/92/59/1389499259.db2.gz RRNSVMVEVHVTTG-SNVBAGLBSA-N 1 0 335.795 3.088 20 5 EGBDRO C[N@H+](CC1CC1)C[C@H]1CCN(c2ncc([N+](=O)[O-])c3ccccc32)C1 ZINC001331132806 1389634944 /nfs/dbraw/zinc/63/49/44/1389634944.db2.gz HLGFLGZZAMSEDV-OAHLLOKOSA-N 1 0 340.427 3.311 20 5 EGBDRO Cc1cncc([N+](=O)[O-])c1NC[C@@H](c1ccccc1Cl)N(C)C ZINC001338829562 1389782327 /nfs/dbraw/zinc/78/23/27/1389782327.db2.gz RUAUZGRFWFZXRZ-AWEZNQCLSA-N 1 0 334.807 3.088 20 5 EGBDRO CC[NH+](CC)C1CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC001338936567 1389832233 /nfs/dbraw/zinc/83/22/33/1389832233.db2.gz XRVHWNAGQFUPLG-UHFFFAOYSA-N 1 0 328.416 3.454 20 5 EGBDRO Nc1c(C(=O)Nc2cccc(C[NH+]3CCCC3)c2)cccc1[N+](=O)[O-] ZINC001339944486 1390195591 /nfs/dbraw/zinc/19/55/91/1390195591.db2.gz ALTSNKQGMCIPSL-UHFFFAOYSA-N 1 0 340.383 3.025 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](CO)CC1CCOCC1 ZINC001343794407 1390737110 /nfs/dbraw/zinc/73/71/10/1390737110.db2.gz HRPWZSYKWRSKBP-IDGGIGOKSA-N 1 0 348.443 3.013 20 5 EGBDRO C[C@@H]1[C@H](O)CC[N@@H+]1Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001344076012 1390754291 /nfs/dbraw/zinc/75/42/91/1390754291.db2.gz QZZVGILPRSSSEM-MEBBXXQBSA-N 1 0 336.775 3.463 20 5 EGBDRO Cc1cc(NC(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)cc([N+](=O)[O-])c1 ZINC001345954710 1390897093 /nfs/dbraw/zinc/89/70/93/1390897093.db2.gz YFQPTGRQSDYAHJ-CYBMUJFWSA-N 1 0 334.420 3.097 20 5 EGBDRO CCC(CC)C(=O)N(C)C1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001752291708 1440166271 /nfs/dbraw/zinc/16/62/71/1440166271.db2.gz KOJYXZYPAQXOBR-UHFFFAOYSA-N 1 0 347.459 3.454 20 5 EGBDRO CC/C(C)=C/C(=O)NCC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001753153299 1440329495 /nfs/dbraw/zinc/32/94/95/1440329495.db2.gz PDWSAXCDNGAYPB-SDNWHVSQSA-N 1 0 331.416 3.032 20 5 EGBDRO CC(C)=CC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001754951583 1440715030 /nfs/dbraw/zinc/71/50/30/1440715030.db2.gz YJOPPIPYEXPTHF-JCNLHEQBSA-N 1 0 345.443 3.326 20 5 EGBDRO C[C@@H]1CN(c2cc(Cl)nc3ccc([N+](=O)[O-])cc32)[C@@H](C)C[N@@H+]1C ZINC001164637596 719238645 /nfs/dbraw/zinc/23/86/45/719238645.db2.gz WNZNDQPVWHPOTN-MNOVXSKESA-N 1 0 334.807 3.325 20 5 EGBDRO Cc1ccc(C(=O)N(CC(C)C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000053231786 214170744 /nfs/dbraw/zinc/17/07/44/214170744.db2.gz YBGTWLCEETYPIU-UHFFFAOYSA-N 1 0 333.432 3.096 20 5 EGBDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000053304044 214176869 /nfs/dbraw/zinc/17/68/69/214176869.db2.gz IIGPVEYWUZGQEJ-HUUCEWRRSA-N 1 0 347.459 3.010 20 5 EGBDRO O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000056325837 214370923 /nfs/dbraw/zinc/37/09/23/214370923.db2.gz QKODRUWRCBWKIR-UHFFFAOYSA-N 1 0 339.395 3.485 20 5 EGBDRO Cc1nn(-c2ccccn2)c(C)c1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000338423170 282250192 /nfs/dbraw/zinc/25/01/92/282250192.db2.gz IYITUVMDPVVAJG-UHFFFAOYSA-N 1 0 337.383 3.082 20 5 EGBDRO C[C@@H]([NH2+][C@H]1CCN(c2ccccc2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000068947976 215348312 /nfs/dbraw/zinc/34/83/12/215348312.db2.gz WSDAFDRKIIUDPW-DYVFJYSZSA-N 1 0 325.368 3.051 20 5 EGBDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000069391277 215399377 /nfs/dbraw/zinc/39/93/77/215399377.db2.gz RAYGUTMVWXRIJD-CQSZACIVSA-N 1 0 341.411 3.454 20 5 EGBDRO Cc1cc(C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)ccc1[N+](=O)[O-] ZINC000181632277 234260717 /nfs/dbraw/zinc/26/07/17/234260717.db2.gz DDHFKRCTYVHFKZ-GOEBONIOSA-N 1 0 345.443 3.286 20 5 EGBDRO C[C@@H](NC(=O)c1cc(F)ccc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181677411 234281969 /nfs/dbraw/zinc/28/19/69/234281969.db2.gz GQDUUKGTKYHCHG-CHWSQXEVSA-N 1 0 349.406 3.117 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)N2CCc3ccccc32)cc1[N+](=O)[O-] ZINC000181830497 234342613 /nfs/dbraw/zinc/34/26/13/234342613.db2.gz HXUPBTUQAWIWJD-CQSZACIVSA-N 1 0 339.395 3.143 20 5 EGBDRO CCC[NH+]1CCC(Nc2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])CC1 ZINC000040024865 213253291 /nfs/dbraw/zinc/25/32/91/213253291.db2.gz WXGXCCWRFPVJOF-UHFFFAOYSA-N 1 0 348.447 3.019 20 5 EGBDRO Cn1cc(C[NH2+]C2Cc3ccccc3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000186444758 235908910 /nfs/dbraw/zinc/90/89/10/235908910.db2.gz GJBUJWZOXBVIOL-UHFFFAOYSA-N 1 0 348.406 3.252 20 5 EGBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000187168209 236135094 /nfs/dbraw/zinc/13/50/94/236135094.db2.gz DTJOLRVGDKVWFG-GUYCJALGSA-N 1 0 327.384 3.016 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCC[C@H]2C[NH+]2CCCC2)cc1OC(F)F ZINC000189080021 236756724 /nfs/dbraw/zinc/75/67/24/236756724.db2.gz PRTSYESZEWBOBK-ZDUSSCGKSA-N 1 0 341.358 3.261 20 5 EGBDRO COc1cc(C(=O)Nc2ccc(C)cc2C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000072840641 216314911 /nfs/dbraw/zinc/31/49/11/216314911.db2.gz BYAOSXJZBLJXFT-UHFFFAOYSA-N 1 0 343.383 3.226 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000191353794 239060924 /nfs/dbraw/zinc/06/09/24/239060924.db2.gz YRCSTDIIPQRLQA-AWEZNQCLSA-N 1 0 334.420 3.017 20 5 EGBDRO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000227022722 242119150 /nfs/dbraw/zinc/11/91/50/242119150.db2.gz RSLZZBWYTPRQNU-GFCCVEGCSA-N 1 0 341.433 3.145 20 5 EGBDRO CC(C)(C)[C@@H](CCO)[NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000231073667 242265092 /nfs/dbraw/zinc/26/50/92/242265092.db2.gz SZFLFHUEFIUAKC-CYBMUJFWSA-N 1 0 345.237 3.244 20 5 EGBDRO CC[C@@H](NC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc([N+](=O)[O-])c1 ZINC000236886012 242397219 /nfs/dbraw/zinc/39/72/19/242397219.db2.gz KUAYSWQBTJLKQV-YYDPCCRISA-N 1 0 331.416 3.083 20 5 EGBDRO Cc1ccc(C[NH2+][C@H](CO)Cc2c[nH]c3ccccc23)cc1[N+](=O)[O-] ZINC000265258049 247346775 /nfs/dbraw/zinc/34/67/75/247346775.db2.gz QBXSGXGWFYJXCA-INIZCTEOSA-N 1 0 339.395 3.078 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC2CC[NH+](CC3CCCC3)CC2)c1 ZINC000266066862 248073376 /nfs/dbraw/zinc/07/33/76/248073376.db2.gz DKWPSRSGYPHQNZ-UHFFFAOYSA-N 1 0 345.443 3.288 20 5 EGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](c3noc(C4CC4)n3)C2)cc1 ZINC000266142460 248127337 /nfs/dbraw/zinc/12/73/37/248127337.db2.gz UVHFYQCOSDYRDT-AWEZNQCLSA-N 1 0 328.372 3.235 20 5 EGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)C[C@@H](O)COCc1ccccc1 ZINC000266513227 248339803 /nfs/dbraw/zinc/33/98/03/248339803.db2.gz FNIOJOQYUJESCS-NVXWUHKLSA-N 1 0 344.411 3.165 20 5 EGBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1cccc(C(F)(F)F)c1 ZINC000090539197 217937276 /nfs/dbraw/zinc/93/72/76/217937276.db2.gz HLXMDLJHZJHHNT-SNVBAGLBSA-N 1 0 328.294 3.161 20 5 EGBDRO COc1ccc(COCC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000091741154 218056993 /nfs/dbraw/zinc/05/69/93/218056993.db2.gz PVRFYGFSEVQUBM-CQSZACIVSA-N 1 0 330.384 3.471 20 5 EGBDRO C[NH+](C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000010017787 211141379 /nfs/dbraw/zinc/14/13/79/211141379.db2.gz OUTCHVBMNDKKTD-MRXNPFEDSA-N 1 0 347.802 3.281 20 5 EGBDRO C[N@@H+]1CCC[C@H]2CN(c3ccc([N+](=O)[O-])c(OC(F)F)c3)CC[C@@H]21 ZINC000268796081 252247867 /nfs/dbraw/zinc/24/78/67/252247867.db2.gz BTUDCPDBFLJMHN-AAEUAGOBSA-N 1 0 341.358 3.117 20 5 EGBDRO Cc1c([C@H](C)[NH2+]CC2(N3CCCC3)CCOCC2)cccc1[N+](=O)[O-] ZINC000268838850 252287280 /nfs/dbraw/zinc/28/72/80/252287280.db2.gz CBHHCGPCQCRFPA-INIZCTEOSA-N 1 0 347.459 3.199 20 5 EGBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000154079418 224199690 /nfs/dbraw/zinc/19/96/90/224199690.db2.gz KJEWYKPGZNHNCL-UHFFFAOYSA-N 1 0 345.443 3.323 20 5 EGBDRO Cc1c(NC(=O)CC[N@H+]2CCS[C@@H](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000118417157 221147969 /nfs/dbraw/zinc/14/79/69/221147969.db2.gz TYOXFVRRUHTFIW-STQMWFEESA-N 1 0 337.445 3.058 20 5 EGBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2CC[C@@H](C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000119392859 221311302 /nfs/dbraw/zinc/31/13/02/221311302.db2.gz JSHZRWLQGOLKFQ-GUIRCDHDSA-N 1 0 349.431 3.345 20 5 EGBDRO CC1(C)CCCC[C@H]1[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000119757933 221394097 /nfs/dbraw/zinc/39/40/97/221394097.db2.gz YDRCEBXBCLMVQL-MRXNPFEDSA-N 1 0 331.416 3.042 20 5 EGBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)C1 ZINC000119965544 221447451 /nfs/dbraw/zinc/44/74/51/221447451.db2.gz ZVMJQVABFZYELO-HNNXBMFYSA-N 1 0 348.447 3.407 20 5 EGBDRO C[C@@H](NC(=O)c1csc([N+](=O)[O-])c1)[C@H](c1ccccc1)[NH+](C)C ZINC000187237232 533318161 /nfs/dbraw/zinc/31/81/61/533318161.db2.gz LZLADYVSFGIDPK-IAQYHMDHSA-N 1 0 333.413 3.078 20 5 EGBDRO Cn1cc(-c2ccc(C[NH2+]CCc3ccccc3[N+](=O)[O-])s2)cn1 ZINC000337851731 141066940 /nfs/dbraw/zinc/06/69/40/141066940.db2.gz JOKMLEYPUKQERS-UHFFFAOYSA-N 1 0 342.424 3.389 20 5 EGBDRO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C[NH+](C)C ZINC000346266372 141188765 /nfs/dbraw/zinc/18/87/65/141188765.db2.gz OWLGTXSVGJOGPZ-LBPRGKRZSA-N 1 0 339.461 3.167 20 5 EGBDRO CC[C@H]1CCC[C@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000348146843 141238463 /nfs/dbraw/zinc/23/84/63/141238463.db2.gz FWHTWHCUTNNXMX-GXTWGEPZSA-N 1 0 335.404 3.100 20 5 EGBDRO Cc1ccc(C(=O)N2C[C@@H]([NH+](C)C)Cc3ccccc32)cc1[N+](=O)[O-] ZINC000067203688 292067062 /nfs/dbraw/zinc/06/70/62/292067062.db2.gz DTCUYQABCGSXEM-INIZCTEOSA-N 1 0 339.395 3.036 20 5 EGBDRO Cc1ccnc(NC2CC[NH+](CCc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000172277565 144019025 /nfs/dbraw/zinc/01/90/25/144019025.db2.gz PZYZWEBZLRUQEL-UHFFFAOYSA-N 1 0 340.427 3.417 20 5 EGBDRO C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@H]1COc2ccccc21 ZINC000185578626 144114836 /nfs/dbraw/zinc/11/48/36/144114836.db2.gz COPJJTXLFCLKLY-SMDDNHRTSA-N 1 0 339.351 3.390 20 5 EGBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+](CC1CC1)C1CCC1 ZINC000361581681 144331877 /nfs/dbraw/zinc/33/18/77/144331877.db2.gz HNZIBPDACXIBES-UHFFFAOYSA-N 1 0 345.399 3.157 20 5 EGBDRO COC1CCN(C2(C[NH2+]Cc3ccc([N+](=O)[O-])cc3)CCCC2)CC1 ZINC000341227099 155214029 /nfs/dbraw/zinc/21/40/29/155214029.db2.gz GNCNCTCHGBSVLN-UHFFFAOYSA-N 1 0 347.459 3.108 20 5 EGBDRO COC(=O)[C@@H](C)C[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000120593402 152287735 /nfs/dbraw/zinc/28/77/35/152287735.db2.gz VJKFYOVXFMCKJV-LBPRGKRZSA-N 1 0 332.356 3.096 20 5 EGBDRO Cc1nc(NC[C@H]2CC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000192956591 153270009 /nfs/dbraw/zinc/27/00/09/153270009.db2.gz HEYWFIUPHZBQNG-MRXNPFEDSA-N 1 0 326.400 3.232 20 5 EGBDRO C[C@@H]([NH2+]C1CCN(C(=O)C(C)(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000237395680 153517026 /nfs/dbraw/zinc/51/70/26/153517026.db2.gz BQQWCCAVZQQNAH-CYBMUJFWSA-N 1 0 333.432 3.283 20 5 EGBDRO CCn1nc(C)c([N+](=O)[O-])c1N[C@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000336787067 154212191 /nfs/dbraw/zinc/21/21/91/154212191.db2.gz DGIAGLZRZAQSAD-HOCLYGCPSA-N 1 0 343.431 3.195 20 5 EGBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@@H]3CCCC[C@H]3OC(F)F)nc2c1 ZINC000337377747 154319620 /nfs/dbraw/zinc/31/96/20/154319620.db2.gz BXOYGUIKGXAADG-DGCLKSJQSA-N 1 0 340.330 3.111 20 5 EGBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000346971401 156222002 /nfs/dbraw/zinc/22/20/02/156222002.db2.gz PASJOUQSJNRCIC-OAHLLOKOSA-N 1 0 343.402 3.440 20 5 EGBDRO COc1ccc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])cc1Cl ZINC000348907005 156284497 /nfs/dbraw/zinc/28/44/97/156284497.db2.gz VQDFTODVBIORBW-UHFFFAOYSA-N 1 0 335.791 3.222 20 5 EGBDRO C[NH+](C)CCN(Cc1csc([N+](=O)[O-])c1)Cc1cccc(F)c1 ZINC000349060043 156337794 /nfs/dbraw/zinc/33/77/94/156337794.db2.gz DURGZOBTYUWIMD-UHFFFAOYSA-N 1 0 337.420 3.359 20 5 EGBDRO COCC[N@H+](Cc1cc(OC)c(F)cc1[N+](=O)[O-])[C@@H]1CC[C@H](C)C1 ZINC000362159233 157051049 /nfs/dbraw/zinc/05/10/49/157051049.db2.gz VCABRODOZMHAHP-GXTWGEPZSA-N 1 0 340.395 3.380 20 5 EGBDRO C[C@@H]([NH2+]C[C@]1(O)CCOC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000090850240 161918817 /nfs/dbraw/zinc/91/88/17/161918817.db2.gz DHXOVIZHLLVNTC-SJKOYZFVSA-N 1 0 348.424 3.125 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3coc4ccccc34)C2)nc1 ZINC000093534316 162015172 /nfs/dbraw/zinc/01/51/72/162015172.db2.gz OVYJJDDTSATRKM-CQSZACIVSA-N 1 0 338.367 3.422 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]CCC(=O)NCc2ccccc2)cc1[N+](=O)[O-] ZINC000129230359 162350556 /nfs/dbraw/zinc/35/05/56/162350556.db2.gz UWSCPCWYTWWOGO-HNNXBMFYSA-N 1 0 341.411 3.260 20 5 EGBDRO Cc1ncccc1C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000130741764 162378519 /nfs/dbraw/zinc/37/85/19/162378519.db2.gz UYQLIGCCESXIEN-UHFFFAOYSA-N 1 0 327.384 3.342 20 5 EGBDRO CCC[C@H]([NH2+][C@@H](C)[C@H](C)N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000247943432 162979075 /nfs/dbraw/zinc/97/90/75/162979075.db2.gz DFLPXEDNJCILFP-MPGHIAIKSA-N 1 0 335.448 3.135 20 5 EGBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2CC[C@H](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000248553725 163014107 /nfs/dbraw/zinc/01/41/07/163014107.db2.gz JSHZRWLQGOLKFQ-PWNZVWSESA-N 1 0 349.431 3.345 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1C ZINC000248575689 163015879 /nfs/dbraw/zinc/01/58/79/163015879.db2.gz SXWJJYXLFRMLKL-KCQAQPDRSA-N 1 0 349.431 3.346 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(NC[C@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000338637013 163299931 /nfs/dbraw/zinc/29/99/31/163299931.db2.gz MCSBRBXGJXBGKQ-MRXNPFEDSA-N 1 0 331.372 3.445 20 5 EGBDRO C[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)Cc1cccs1 ZINC000343876465 164056298 /nfs/dbraw/zinc/05/62/98/164056298.db2.gz YXIBXAWMVQDRNO-UHFFFAOYSA-N 1 0 347.396 3.086 20 5 EGBDRO CC[NH+](CC)[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccco1 ZINC000344210499 164128005 /nfs/dbraw/zinc/12/80/05/164128005.db2.gz KLIQYUOJXFXMOM-OAHLLOKOSA-N 1 0 349.362 3.140 20 5 EGBDRO C[C@@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[N@@H+]1CCCC[C@@H]1C ZINC000345993690 164312089 /nfs/dbraw/zinc/31/20/89/164312089.db2.gz PDHZCXOGGQTZEG-RYUDHWBXSA-N 1 0 339.823 3.241 20 5 EGBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1cccc(-n2ccnn2)c1 ZINC000348372818 164723683 /nfs/dbraw/zinc/72/36/83/164723683.db2.gz FZNWISLOWXEWKM-CQSZACIVSA-N 1 0 337.383 3.069 20 5 EGBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)c1nc2ccccc2cc1[N+](=O)[O-] ZINC000352356696 165361155 /nfs/dbraw/zinc/36/11/55/165361155.db2.gz NSNMFZCXPWHUFS-HNNXBMFYSA-N 1 0 328.416 3.454 20 5 EGBDRO COC1CC[NH+](C2(CNc3nccc(C)c3[N+](=O)[O-])CCCC2)CC1 ZINC000360279304 167288649 /nfs/dbraw/zinc/28/86/49/167288649.db2.gz NXPRLBWKMQPLON-UHFFFAOYSA-N 1 0 348.447 3.134 20 5 EGBDRO CC[C@@H]([NH2+]Cc1cccc(-n2cncn2)c1)c1cccc([N+](=O)[O-])c1 ZINC000366218724 168095313 /nfs/dbraw/zinc/09/53/13/168095313.db2.gz MJXHSTWUMLNSMP-GOSISDBHSA-N 1 0 337.383 3.416 20 5 EGBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000367540322 168239472 /nfs/dbraw/zinc/23/94/72/168239472.db2.gz KOKPPEJIDIRWRJ-XHSDSOJGSA-N 1 0 326.400 3.096 20 5 EGBDRO Cc1c([C@@H](C)[NH2+]C[C@H]2CCN(CC(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000163143782 225926611 /nfs/dbraw/zinc/92/66/11/225926611.db2.gz DPVUKNKLKPQGOR-CHWSQXEVSA-N 1 0 345.365 3.438 20 5 EGBDRO C[C@@H]1C[C@@H](Nc2ccc(Br)cc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000122262395 222047643 /nfs/dbraw/zinc/04/76/43/222047643.db2.gz XATJSGDXAADDJU-MWLCHTKSSA-N 1 0 340.221 3.394 20 5 EGBDRO C[N@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)[C@H]1CCSC1 ZINC000122991846 222196136 /nfs/dbraw/zinc/19/61/36/222196136.db2.gz PSCJMOPFWJISPK-JTQLQIEISA-N 1 0 331.235 3.295 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000173109219 264961533 /nfs/dbraw/zinc/96/15/33/264961533.db2.gz MMORGGZKTXFTCV-GASCZTMLSA-N 1 0 333.432 3.001 20 5 EGBDRO CC(C)CC[NH+]1CCC(CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000176545452 265187636 /nfs/dbraw/zinc/18/76/36/265187636.db2.gz IRQDTFYESFPMNV-UHFFFAOYSA-N 1 0 333.432 3.083 20 5 EGBDRO Cc1nc(NC2CC[NH+](CCc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000178016260 265292005 /nfs/dbraw/zinc/29/20/05/265292005.db2.gz QOXDPAHZIHLCPJ-UHFFFAOYSA-N 1 0 340.427 3.417 20 5 EGBDRO C[C@H]1CCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[C@@H]1C[NH3+] ZINC000179223234 265368020 /nfs/dbraw/zinc/36/80/20/265368020.db2.gz FQZBVZOYKOBWBN-GXFFZTMASA-N 1 0 333.413 3.009 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)C1CCC(CO)CC1 ZINC000269708998 266344265 /nfs/dbraw/zinc/34/42/65/266344265.db2.gz OYDBOBGYOAZOGG-UHFFFAOYSA-N 1 0 336.432 3.365 20 5 EGBDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNc2ncc([N+](=O)[O-])cn2)C1 ZINC000273639283 267072774 /nfs/dbraw/zinc/07/27/74/267072774.db2.gz RTMIBXDQKPQCHY-CQSZACIVSA-N 1 0 341.415 3.229 20 5 EGBDRO Cn1ccnc1[C@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000275100845 267317489 /nfs/dbraw/zinc/31/74/89/267317489.db2.gz QJTOUJNAUMFWCV-OAHLLOKOSA-N 1 0 334.807 3.265 20 5 EGBDRO CCOC(CC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)OCC ZINC000276112118 267479697 /nfs/dbraw/zinc/47/96/97/267479697.db2.gz AXVBXNJRALUJEI-INIZCTEOSA-N 1 0 336.432 3.295 20 5 EGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@H](CO)Cc1ccc(F)cc1 ZINC000276685787 267603796 /nfs/dbraw/zinc/60/37/96/267603796.db2.gz JCYIHBHBBBGQHV-HNNXBMFYSA-N 1 0 338.766 3.081 20 5 EGBDRO C[C@@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CCN1C(=O)OC(C)(C)C ZINC000278544206 268036087 /nfs/dbraw/zinc/03/60/87/268036087.db2.gz XUWUGWMERAYFLR-UKRRQHHQSA-N 1 0 349.431 3.472 20 5 EGBDRO COc1cc(C[N@@H+]2CC[C@@H](C)[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000248367242 274093671 /nfs/dbraw/zinc/09/36/71/274093671.db2.gz TVGLADWKRFNWRU-ZJUUUORDSA-N 1 0 330.331 3.435 20 5 EGBDRO C[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@@H](C)[NH+]1C ZINC000339615569 274353632 /nfs/dbraw/zinc/35/36/32/274353632.db2.gz KGJJAPSDTHEBHH-GHMZBOCLSA-N 1 0 331.338 3.138 20 5 EGBDRO Cc1ccc(CCC[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)cn1 ZINC000353362159 274739495 /nfs/dbraw/zinc/73/94/95/274739495.db2.gz DXGOHOFGKUDLGG-UHFFFAOYSA-N 1 0 340.427 3.053 20 5 EGBDRO C[C@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CN1C1CC1 ZINC000278686551 275265615 /nfs/dbraw/zinc/26/56/15/275265615.db2.gz IMERNNJLMZIOBQ-GXFFZTMASA-N 1 0 343.349 3.328 20 5 EGBDRO CO[C@]1(C)CCC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000279279730 275318773 /nfs/dbraw/zinc/31/87/73/275318773.db2.gz KARLPONTSBXSTK-QGZVFWFLSA-N 1 0 331.372 3.251 20 5 EGBDRO COCCOc1ccccc1C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283998506 275766810 /nfs/dbraw/zinc/76/68/10/275766810.db2.gz HSLNLAJFPWUMRY-CYBMUJFWSA-N 1 0 345.399 3.053 20 5 EGBDRO CCS[C@@H]1CCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000286296398 275977619 /nfs/dbraw/zinc/97/76/19/275977619.db2.gz VIEDGQJMCOHACZ-HUUCEWRRSA-N 1 0 338.429 3.225 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000287168481 276091695 /nfs/dbraw/zinc/09/16/95/276091695.db2.gz JIRKAJXPJYDCEB-IMJJTQAJSA-N 1 0 336.819 3.338 20 5 EGBDRO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1Cc1csc([N+](=O)[O-])c1 ZINC000287255992 276101417 /nfs/dbraw/zinc/10/14/17/276101417.db2.gz HCJFJZWLFPPPJY-JQWIXIFHSA-N 1 0 341.433 3.144 20 5 EGBDRO O=[N+]([O-])c1ccc(Cl)cc1NCC1([NH+]2CCCC2)CCOCC1 ZINC000287666165 276145259 /nfs/dbraw/zinc/14/52/59/276145259.db2.gz CQRDJISRGBITOW-UHFFFAOYSA-N 1 0 339.823 3.305 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000287673755 276145953 /nfs/dbraw/zinc/14/59/53/276145953.db2.gz SGNSCNNBBYBJMP-LSDHHAIUSA-N 1 0 346.431 3.302 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000289765110 276390300 /nfs/dbraw/zinc/39/03/00/276390300.db2.gz KUBRZRRDNYKYNF-RHSMWYFYSA-N 1 0 346.431 3.105 20 5 EGBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]CCCO[C@H]1CCOC1 ZINC000290828966 276547320 /nfs/dbraw/zinc/54/73/20/276547320.db2.gz HSXCXOYOINQDLK-LBPRGKRZSA-N 1 0 349.214 3.187 20 5 EGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCN(C2CC2)C1 ZINC000349249438 276573646 /nfs/dbraw/zinc/57/36/46/276573646.db2.gz VJJMHBGVFHWVNT-ZIAGYGMSSA-N 1 0 335.473 3.292 20 5 EGBDRO CC(C)c1ccc(C[N@@H+]2CCS[C@H]3COCC[C@H]32)cc1[N+](=O)[O-] ZINC000252802676 278036521 /nfs/dbraw/zinc/03/65/21/278036521.db2.gz PKQOIAZSVQADOP-WBVHZDCISA-N 1 0 336.457 3.425 20 5 EGBDRO C[C@@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000178655023 278384466 /nfs/dbraw/zinc/38/44/66/278384466.db2.gz DHPLYQBJXKDEON-OCCSQVGLSA-N 1 0 335.404 3.255 20 5 EGBDRO C[C@H]([NH2+]C1CCN(CC(F)(F)F)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000178651200 279455389 /nfs/dbraw/zinc/45/53/89/279455389.db2.gz MRLSBJDOZGVLTH-NSHDSACASA-N 1 0 331.338 3.272 20 5 EGBDRO Cc1cccc(C(=O)NC[C@@H]([NH3+])c2ccc(C(C)C)cc2)c1[N+](=O)[O-] ZINC000151948529 281194024 /nfs/dbraw/zinc/19/40/24/281194024.db2.gz SHHABAFMYSJFDV-QGZVFWFLSA-N 1 0 341.411 3.456 20 5 EGBDRO Cc1c(C(=O)N(CC[NH+](C)C)C2CCCCC2)cccc1[N+](=O)[O-] ZINC000065746152 307359943 /nfs/dbraw/zinc/35/99/43/307359943.db2.gz QEEKXNWKGLFLAP-UHFFFAOYSA-N 1 0 333.432 3.240 20 5 EGBDRO CCc1ccc(C(=O)N(CC[NH+](C)C)c2ccccc2)cc1[N+](=O)[O-] ZINC000081934323 307443590 /nfs/dbraw/zinc/44/35/90/307443590.db2.gz OGLHNPXSXWNUSA-UHFFFAOYSA-N 1 0 341.411 3.366 20 5 EGBDRO C[NH+](C)CCc1ccc(NC(=O)c2ccc(F)cc2[N+](=O)[O-])cc1 ZINC000127882355 307591879 /nfs/dbraw/zinc/59/18/79/307591879.db2.gz HAZJLOWCUBCGSE-UHFFFAOYSA-N 1 0 331.347 3.090 20 5 EGBDRO C[NH+](C)CCN(C(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000132521273 307659161 /nfs/dbraw/zinc/65/91/61/307659161.db2.gz FSPLADVNWJZDHF-UHFFFAOYSA-N 1 0 334.420 3.323 20 5 EGBDRO Cc1ccc(-c2ccc(C[NH2+]CCn3cc([N+](=O)[O-])cn3)o2)cc1 ZINC000151271555 307730670 /nfs/dbraw/zinc/73/06/70/307730670.db2.gz SDNOJZXWFGULNN-UHFFFAOYSA-N 1 0 326.356 3.150 20 5 EGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccn(CC)n1 ZINC000414211653 309067074 /nfs/dbraw/zinc/06/70/74/309067074.db2.gz QFEWLRHPYQCGMQ-ZDUSSCGKSA-N 1 0 334.445 3.472 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H](CO)c1ccc(F)cc1)CCC2 ZINC000414305874 309071830 /nfs/dbraw/zinc/07/18/30/309071830.db2.gz YVOGIMQFJCISHA-HNAYVOBHSA-N 1 0 344.386 3.477 20 5 EGBDRO CC[C@@H]1CCCC[C@H]1[NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000163206329 307920518 /nfs/dbraw/zinc/92/05/18/307920518.db2.gz CFXICPQGOIYAFW-UKRRQHHQSA-N 1 0 347.415 3.451 20 5 EGBDRO CCc1ccc([C@H](O)C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000293988193 308180511 /nfs/dbraw/zinc/18/05/11/308180511.db2.gz BUKPDRBQBUHNHA-KPZWWZAWSA-N 1 0 329.400 3.124 20 5 EGBDRO CC(C)c1nnc(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])[nH]1 ZINC000294700945 308247401 /nfs/dbraw/zinc/24/74/01/308247401.db2.gz DAYKBCRHCHKQHE-ZFWWWQNUSA-N 1 0 343.431 3.337 20 5 EGBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccccc1F ZINC000294955841 308275859 /nfs/dbraw/zinc/27/58/59/308275859.db2.gz BFGHFNFUPVXOBA-QWHCGFSZSA-N 1 0 345.374 3.089 20 5 EGBDRO C[C@H](CCCCO)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000295067780 308287325 /nfs/dbraw/zinc/28/73/25/308287325.db2.gz OYMJUJXWZPWWFA-GFCCVEGCSA-N 1 0 335.429 3.359 20 5 EGBDRO CC[NH+](CC)Cc1ccc(CNc2ncc([N+](=O)[O-])c(C)n2)cc1 ZINC000296282235 308411625 /nfs/dbraw/zinc/41/16/25/308411625.db2.gz HHYNJJLLWLJBBP-UHFFFAOYSA-N 1 0 329.404 3.147 20 5 EGBDRO CC[NH+](CC)[C@@H](CNc1ncc([N+](=O)[O-])c(C)n1)c1ccsc1 ZINC000296655161 308452486 /nfs/dbraw/zinc/45/24/86/308452486.db2.gz XUDQXSCIUOAYOO-AWEZNQCLSA-N 1 0 335.433 3.250 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)Cc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000297438229 308533811 /nfs/dbraw/zinc/53/38/11/308533811.db2.gz VXJLBJMXMVHGIO-SUMWQHHRSA-N 1 0 332.375 3.297 20 5 EGBDRO CC[NH+](CC)[C@@H](CNC(=O)c1cc(F)ccc1[N+](=O)[O-])c1ccco1 ZINC000299678050 308684119 /nfs/dbraw/zinc/68/41/19/308684119.db2.gz QZTJBGCQIWPBIL-HNNXBMFYSA-N 1 0 349.362 3.140 20 5 EGBDRO COc1cccc([C@@H](C)[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000301188516 308691141 /nfs/dbraw/zinc/69/11/41/308691141.db2.gz KSEYBNWXYAXSCH-OAHLLOKOSA-N 1 0 341.411 3.487 20 5 EGBDRO Cc1cc(NCc2cccc(C(N)=O)c2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302130535 308730090 /nfs/dbraw/zinc/73/00/90/308730090.db2.gz BWJHPHWOIXDNQS-UHFFFAOYSA-N 1 0 336.351 3.162 20 5 EGBDRO CC[NH+]1CCN(c2cccc(Nc3ccc([N+](=O)[O-])c(C)n3)c2)CC1 ZINC000302262023 308735419 /nfs/dbraw/zinc/73/54/19/308735419.db2.gz PWWVJLJYRHLYMK-UHFFFAOYSA-N 1 0 341.415 3.184 20 5 EGBDRO Cc1cccc(N2CCC(CCC[NH+]3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000302485628 308737881 /nfs/dbraw/zinc/73/78/81/308737881.db2.gz HYRPJFAMFBFMOH-UHFFFAOYSA-N 1 0 347.459 3.232 20 5 EGBDRO CCN(CC[NH+]1CCCCCC1)C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000332005913 308823610 /nfs/dbraw/zinc/82/36/10/308823610.db2.gz OLJQBAISMWIJRT-UHFFFAOYSA-N 1 0 333.432 3.241 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+]C1[C@@H](C)CCC[C@@H]1C ZINC000411444613 308939260 /nfs/dbraw/zinc/93/92/60/308939260.db2.gz KROVNUIZNKYWCC-STQMWFEESA-N 1 0 349.431 3.346 20 5 EGBDRO Cc1ccn(Cc2ccc(C[NH+]3CCCCC3)cc2)c(=O)c1[N+](=O)[O-] ZINC000412996119 309011430 /nfs/dbraw/zinc/01/14/30/309011430.db2.gz FLWXANDFPFDFFO-UHFFFAOYSA-N 1 0 341.411 3.099 20 5 EGBDRO O=[N+]([O-])c1cnc(NC2CC[NH+](Cc3ccccc3)CC2)c(F)c1 ZINC000413024061 309012174 /nfs/dbraw/zinc/01/21/74/309012174.db2.gz LKNKSPOQDXGVFM-UHFFFAOYSA-N 1 0 330.363 3.205 20 5 EGBDRO O=[N+]([O-])c1cnc(NC[C@H]2CCC[N@@H+]2Cc2ccccc2)c(F)c1 ZINC000413144544 309018054 /nfs/dbraw/zinc/01/80/54/309018054.db2.gz QESZCFSXLWZJLR-CQSZACIVSA-N 1 0 330.363 3.205 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(CN[C@H]2CC[NH2+]C2)cc1 ZINC000414889094 309107381 /nfs/dbraw/zinc/10/73/81/309107381.db2.gz SPPAZWZDLGPLAW-AWEZNQCLSA-N 1 0 347.802 3.492 20 5 EGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1NCCc2ccccc21 ZINC000414959546 309111766 /nfs/dbraw/zinc/11/17/66/309111766.db2.gz SKILWAXNFPKGIG-KXBFYZLASA-N 1 0 339.439 3.393 20 5 EGBDRO CC1(C)C[NH2+]CC[C@@H]1NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000414983282 309112753 /nfs/dbraw/zinc/11/27/53/309112753.db2.gz ZHWCYCZBRYRLBL-HNNXBMFYSA-N 1 0 346.456 3.196 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000415761885 309143329 /nfs/dbraw/zinc/14/33/29/309143329.db2.gz MGBWYWNBZQLXNM-HUUCEWRRSA-N 1 0 346.431 3.011 20 5 EGBDRO C[C@@H](NC(=O)Nc1ccc2c(c1)C[NH2+]CC2)c1cccc([N+](=O)[O-])c1 ZINC000415881760 309145694 /nfs/dbraw/zinc/14/56/94/309145694.db2.gz JMVVBTOCSRYIGJ-GFCCVEGCSA-N 1 0 340.383 3.123 20 5 EGBDRO O=C(NCCC[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21)C1CCC1 ZINC000417314161 309201280 /nfs/dbraw/zinc/20/12/80/309201280.db2.gz YGAOUCXNIIHNCI-SFHVURJKSA-N 1 0 345.443 3.258 20 5 EGBDRO CCc1ccccc1[C@H]([NH3+])CNc1ccc([N+](=O)[O-])c(C(C)=O)c1 ZINC000420289003 309279537 /nfs/dbraw/zinc/27/95/37/309279537.db2.gz YZJJTOCYJKYVCI-QGZVFWFLSA-N 1 0 327.384 3.472 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC1CCC([NH+](C)C)CC1 ZINC000421087095 309312594 /nfs/dbraw/zinc/31/25/94/309312594.db2.gz BTTIHZWOEPCSCV-UHFFFAOYSA-N 1 0 334.420 3.206 20 5 EGBDRO C[C@H]([NH3+])c1ccc(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000423158789 309388629 /nfs/dbraw/zinc/38/86/29/309388629.db2.gz DIDUDEPIQPREPG-AWEZNQCLSA-N 1 0 341.411 3.367 20 5 EGBDRO CCc1ccc([C@H](NC[C@@H]([NH3+])C(C)C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000423265873 309393169 /nfs/dbraw/zinc/39/31/69/309393169.db2.gz DEATYUWIVPRJSH-SJLPKXTDSA-N 1 0 331.416 3.413 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2NCCc3ccccc32)cc1[N+](=O)[O-] ZINC000423417597 309399500 /nfs/dbraw/zinc/39/95/00/309399500.db2.gz HBZIAWMSIIVORW-KBXCAEBGSA-N 1 0 325.412 3.441 20 5 EGBDRO [NH3+]C1(c2noc(CSc3ccc([N+](=O)[O-])cc3)n2)CCCCC1 ZINC000424337374 309439504 /nfs/dbraw/zinc/43/95/04/309439504.db2.gz KZNVXUZLKBQNBF-UHFFFAOYSA-N 1 0 334.401 3.388 20 5 EGBDRO C[NH+](C)C[C@H]1CCc2ccccc2N1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000425630623 309488712 /nfs/dbraw/zinc/48/87/12/309488712.db2.gz SAFZYDRJMSWBSC-CYBMUJFWSA-N 1 0 345.424 3.180 20 5 EGBDRO CCCc1nc(C)c(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)o1 ZINC000426350792 309504886 /nfs/dbraw/zinc/50/48/86/309504886.db2.gz YVTBYPNXXUKTRH-KGLIPLIRSA-N 1 0 347.419 3.314 20 5 EGBDRO O=[N+]([O-])c1cccc2c(NCC3CC[NH+](C4CC4)CC3)ccnc21 ZINC000432177540 309654169 /nfs/dbraw/zinc/65/41/69/309654169.db2.gz PTQXTMCOTHBGCS-UHFFFAOYSA-N 1 0 326.400 3.429 20 5 EGBDRO C[C@H]([NH2+]Cc1cccc(N2CCC2=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000442809187 309888015 /nfs/dbraw/zinc/88/80/15/309888015.db2.gz JLTJAPRYMNVOSX-ZDUSSCGKSA-N 1 0 325.368 3.182 20 5 EGBDRO Cc1cc(N2CCc3ncsc3C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000445677461 309945369 /nfs/dbraw/zinc/94/53/69/309945369.db2.gz XGTLROMOMSMNKP-UHFFFAOYSA-N 1 0 326.381 3.471 20 5 EGBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCOc2ccccc2F)n1 ZINC000447512867 309980336 /nfs/dbraw/zinc/98/03/36/309980336.db2.gz QZFAXGCXZVTCIM-GJZGRUSLSA-N 1 0 348.378 3.083 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H](CO)Cc1ccccc1)CCC2 ZINC000447542874 309981417 /nfs/dbraw/zinc/98/14/17/309981417.db2.gz QLMUOZWHLFXDBK-OXJNMPFZSA-N 1 0 340.423 3.413 20 5 EGBDRO COc1ccc(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])cc1OC ZINC000449061821 310033964 /nfs/dbraw/zinc/03/39/64/310033964.db2.gz HMTXEGALMWOOLZ-CYBMUJFWSA-N 1 0 330.384 3.333 20 5 EGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1nnc2n1CCCCC2 ZINC000449076907 310035109 /nfs/dbraw/zinc/03/51/09/310035109.db2.gz UUQJOKOPFJRCKO-KGLIPLIRSA-N 1 0 343.431 3.195 20 5 EGBDRO COCCOc1ccccc1C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449085307 310035879 /nfs/dbraw/zinc/03/58/79/310035879.db2.gz LYSFUHVCERUIOD-HNNXBMFYSA-N 1 0 344.411 3.341 20 5 EGBDRO CC(C)CC(=O)N1CCC([NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000449095738 310036715 /nfs/dbraw/zinc/03/67/15/310036715.db2.gz ARMCYVORMXQSIL-HNNXBMFYSA-N 1 0 347.459 3.153 20 5 EGBDRO COc1cccc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000449495119 310066622 /nfs/dbraw/zinc/06/66/22/310066622.db2.gz CEENCDQKEZCLCW-HNNXBMFYSA-N 1 0 327.384 3.378 20 5 EGBDRO COC(=O)c1cc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)c[nH]1 ZINC000449504392 310067479 /nfs/dbraw/zinc/06/74/79/310067479.db2.gz VZBZYGBUYUNNGR-HNNXBMFYSA-N 1 0 343.383 3.089 20 5 EGBDRO CO[C@@H]1C[C@H]([NH2+][C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1(C)C ZINC000451511295 310182024 /nfs/dbraw/zinc/18/20/24/310182024.db2.gz WCJNIQYTLFFOLH-LEWSCRJBSA-N 1 0 346.387 3.109 20 5 EGBDRO C[C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000451559586 310186560 /nfs/dbraw/zinc/18/65/60/310186560.db2.gz HHENQPSHHWIUSW-WBVHZDCISA-N 1 0 345.443 3.033 20 5 EGBDRO Cc1c(NC(=O)CC[N@@H+]2CCSC[C@@H]2C2CC2)cccc1[N+](=O)[O-] ZINC000451654527 310191620 /nfs/dbraw/zinc/19/16/20/310191620.db2.gz OOZATGLUDLXFGH-MRXNPFEDSA-N 1 0 349.456 3.059 20 5 EGBDRO CC[C@H]1C[N@H+](CC)CCN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000451733371 310195183 /nfs/dbraw/zinc/19/51/83/310195183.db2.gz AIRTWVHRWPWLGJ-INIZCTEOSA-N 1 0 344.415 3.166 20 5 EGBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2CC[C@H](CCCO)C2)c1 ZINC000452124802 310213558 /nfs/dbraw/zinc/21/35/58/310213558.db2.gz RQIDOBAHKPYWHI-NSHDSACASA-N 1 0 332.322 3.208 20 5 EGBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](C1CC1)C1CCC1 ZINC000453412036 310275669 /nfs/dbraw/zinc/27/56/69/310275669.db2.gz HHTFSNCOECTNDV-SGTLLEGYSA-N 1 0 331.416 3.480 20 5 EGBDRO Cc1cnc(CC[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])cn1 ZINC000453411448 310275761 /nfs/dbraw/zinc/27/57/61/310275761.db2.gz VNJKDCFOWYJPFP-QAPCUYQASA-N 1 0 340.427 3.237 20 5 EGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCC2CC(F)(F)C2)n1 ZINC000453427246 310276565 /nfs/dbraw/zinc/27/65/65/310276565.db2.gz PDLZLMSQVQTHPZ-CHWSQXEVSA-N 1 0 328.363 3.300 20 5 EGBDRO Cc1ccc(C[C@@H](CO)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1C ZINC000453426375 310276585 /nfs/dbraw/zinc/27/65/85/310276585.db2.gz HCDLEMQDNASIQB-YJBOKZPZSA-N 1 0 328.412 3.466 20 5 EGBDRO CCC(CC)[C@@H](C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)N1CCOCC1 ZINC000480524275 310895943 /nfs/dbraw/zinc/89/59/43/310895943.db2.gz JRAAEPXHBFPJHW-DNVCBOLYSA-N 1 0 349.475 3.382 20 5 EGBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H]2CC[C@H](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000481187451 310908077 /nfs/dbraw/zinc/90/80/77/310908077.db2.gz GKGDEMHBVQIROE-KCQAQPDRSA-N 1 0 349.431 3.346 20 5 EGBDRO COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000492175119 311224022 /nfs/dbraw/zinc/22/40/22/311224022.db2.gz GACZNWJYHAZLST-BLLLJJGKSA-N 1 0 340.807 3.460 20 5 EGBDRO CCCC[C@@H]1CCC[C@@H]1[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000492846296 311298435 /nfs/dbraw/zinc/29/84/35/311298435.db2.gz IADBTBBDOUXIJM-PBHICJAKSA-N 1 0 345.443 3.432 20 5 EGBDRO C[NH+](C)Cc1ccccc1NC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000492882132 311302796 /nfs/dbraw/zinc/30/27/96/311302796.db2.gz SQEBQYSXTXKSSB-QXMHVHEDSA-N 1 0 325.368 3.308 20 5 EGBDRO CC[C@@H]([NH2+]CC1CCN(C(=O)OC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000495685279 311596124 /nfs/dbraw/zinc/59/61/24/311596124.db2.gz GTVSXXQDVOQETM-MRXNPFEDSA-N 1 0 335.404 3.114 20 5 EGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](C)C[C@H](C)O ZINC000504894011 312012080 /nfs/dbraw/zinc/01/20/80/312012080.db2.gz JEXCMFRZLMMATM-HZSPNIEDSA-N 1 0 326.462 3.462 20 5 EGBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@H](COc2ccccc2)C1 ZINC000505880838 312037924 /nfs/dbraw/zinc/03/79/24/312037924.db2.gz ZANJIEUKGULZFQ-INIZCTEOSA-N 1 0 342.395 3.375 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+]C(C)(C)c1ccccc1 ZINC000507359883 312069709 /nfs/dbraw/zinc/06/97/09/312069709.db2.gz NUCUCJRYPJNGFT-UHFFFAOYSA-N 1 0 327.384 3.367 20 5 EGBDRO C[NH+](C)C1(CNc2ncnc3cccc([N+](=O)[O-])c32)CCCCCC1 ZINC000509042730 312108008 /nfs/dbraw/zinc/10/80/08/312108008.db2.gz WYQUMAUWNFUEBQ-UHFFFAOYSA-N 1 0 343.431 3.026 20 5 EGBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](C)c1ccncc1F ZINC000511051957 312153819 /nfs/dbraw/zinc/15/38/19/312153819.db2.gz SWZZVDXZBRKQGI-VXGBXAGGSA-N 1 0 346.362 3.197 20 5 EGBDRO C[NH+](C)CCOc1ccc(CCNc2ccc([N+](=O)[O-])cc2)cc1 ZINC000511382294 312159218 /nfs/dbraw/zinc/15/92/18/312159218.db2.gz WSLPJTIDNVGHDW-UHFFFAOYSA-N 1 0 329.400 3.190 20 5 EGBDRO C[C@@H](C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000514834590 312247764 /nfs/dbraw/zinc/24/77/64/312247764.db2.gz JHLGNHANPIZMJS-GDBMZVCRSA-N 1 0 333.432 3.031 20 5 EGBDRO CCc1ccc([C@@H]([NH2+]C[C@H](CO)C2CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000514975808 312257879 /nfs/dbraw/zinc/25/78/79/312257879.db2.gz IAJXOEVPLUQCTP-BEFAXECRSA-N 1 0 344.411 3.448 20 5 EGBDRO CC(=O)Nc1ccc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)cn1 ZINC000516841008 312344277 /nfs/dbraw/zinc/34/42/77/312344277.db2.gz QFTTVNZRSPYUIB-GFCCVEGCSA-N 1 0 328.372 3.107 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1-c1noc(C2CC[NH+](C3CC3)CC2)n1 ZINC000520285258 312499586 /nfs/dbraw/zinc/49/95/86/312499586.db2.gz UGGSWZMMUACOBE-UHFFFAOYSA-N 1 0 328.372 3.295 20 5 EGBDRO O=C(C[NH2+][C@H](c1cccs1)C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000540464763 314382605 /nfs/dbraw/zinc/38/26/05/314382605.db2.gz XUCFBZAOCAWDSD-INIZCTEOSA-N 1 0 331.397 3.336 20 5 EGBDRO Cc1cc(NC(=O)NCC(C)(C)[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000546742521 314854533 /nfs/dbraw/zinc/85/45/33/314854533.db2.gz HNJFVSCUPYMAKR-UHFFFAOYSA-N 1 0 334.420 3.289 20 5 EGBDRO CCOc1ccc(NC(=O)C[N@H+](C)[C@H]2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000548730525 315041101 /nfs/dbraw/zinc/04/11/01/315041101.db2.gz HIDPPXURAYZVTM-CJNGLKHVSA-N 1 0 349.431 3.443 20 5 EGBDRO COC(=O)c1ccccc1CC[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000554847356 315352264 /nfs/dbraw/zinc/35/22/64/315352264.db2.gz BDATYAUVDWJMAQ-UHFFFAOYSA-N 1 0 342.395 3.098 20 5 EGBDRO O=C(CC[NH2+]C[C@@H]1CCC[C@H]1C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000564857886 316219644 /nfs/dbraw/zinc/21/96/44/316219644.db2.gz QMFXTMRLDGPGTM-GJZGRUSLSA-N 1 0 331.416 3.339 20 5 EGBDRO CCC(CC)[C@H](CNc1ncnc2sc([N+](=O)[O-])cc21)[NH+](C)C ZINC000565709419 316359959 /nfs/dbraw/zinc/35/99/59/316359959.db2.gz ZTHOESQWZVMRJQ-LBPRGKRZSA-N 1 0 337.449 3.378 20 5 EGBDRO C[C@H](C(=O)N1CCC[C@H]1C[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000567556041 316633624 /nfs/dbraw/zinc/63/36/24/316633624.db2.gz PSPHUMAEGIYPPB-YJBOKZPZSA-N 1 0 345.443 3.175 20 5 EGBDRO COc1ccc(C[NH2+][C@H]2CCC[C@H](c3ccnn3C)C2)cc1[N+](=O)[O-] ZINC000568353908 316762546 /nfs/dbraw/zinc/76/25/46/316762546.db2.gz DRIXDQFIRIXQGT-GJZGRUSLSA-N 1 0 344.415 3.153 20 5 EGBDRO CC(C)(O)C[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000572789353 317391705 /nfs/dbraw/zinc/39/17/05/317391705.db2.gz FWDFPNKAQVOYNG-UHFFFAOYSA-N 1 0 328.412 3.410 20 5 EGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]Cc1ccc(Cn2cncn2)cc1 ZINC000574293079 317583149 /nfs/dbraw/zinc/58/31/49/317583149.db2.gz XLTSINOBNSCERE-GOSISDBHSA-N 1 0 349.394 3.012 20 5 EGBDRO CC(C)COc1ccc(C(C)(C)[NH2+]CCn2ccc([N+](=O)[O-])n2)cc1 ZINC000176236486 323327295 /nfs/dbraw/zinc/32/72/95/323327295.db2.gz LEHMKGHBBMMGSK-UHFFFAOYSA-N 1 0 346.431 3.351 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCN(c3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000178687302 323359150 /nfs/dbraw/zinc/35/91/50/323359150.db2.gz AJKWVBROFNFFAA-YOEHRIQHSA-N 1 0 339.395 3.359 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(c3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000178687272 323359754 /nfs/dbraw/zinc/35/97/54/323359754.db2.gz AJKWVBROFNFFAA-WMLDXEAASA-N 1 0 339.395 3.359 20 5 EGBDRO CC[C@@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(C)cc1 ZINC000182177665 323530457 /nfs/dbraw/zinc/53/04/57/323530457.db2.gz HGEHSZMUGAIOTH-IAGOWNOFSA-N 1 0 344.411 3.384 20 5 EGBDRO Cc1cnc([C@@H](C)[NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)s1 ZINC000184995099 323683983 /nfs/dbraw/zinc/68/39/83/323683983.db2.gz BTMVWXISFKUTHX-LLVKDONJSA-N 1 0 334.401 3.039 20 5 EGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CC[C@@H]1COc2ccccc2O1 ZINC000576597172 324646401 /nfs/dbraw/zinc/64/64/01/324646401.db2.gz JTZTUSWHDLOZKB-CZUORRHYSA-N 1 0 340.379 3.402 20 5 EGBDRO Cc1cnc([C@@H](C)C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])s1 ZINC000578316870 324951209 /nfs/dbraw/zinc/95/12/09/324951209.db2.gz QNTWGLKIIYGWQZ-NSHDSACASA-N 1 0 348.428 3.082 20 5 EGBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)Nc1cc([N+](=O)[O-])ccc1CC ZINC000579058851 325054610 /nfs/dbraw/zinc/05/46/10/325054610.db2.gz CPXPUUNXVJXYBK-ZDUSSCGKSA-N 1 0 336.436 3.399 20 5 EGBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c1 ZINC000580803168 325297055 /nfs/dbraw/zinc/29/70/55/325297055.db2.gz KLACXARBCXPXAX-DLBZAZTESA-N 1 0 332.400 3.007 20 5 EGBDRO CC(C)[N@@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])cc2OC(F)F)C1 ZINC000581221134 325342378 /nfs/dbraw/zinc/34/23/78/325342378.db2.gz KONSVZTZWVTYJZ-LLVKDONJSA-N 1 0 329.347 3.338 20 5 EGBDRO C[C@H](C(=O)Nc1cccc(C[NH+](C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000581347271 325353326 /nfs/dbraw/zinc/35/33/26/325353326.db2.gz KWLUBXYWYJMNDV-ZDUSSCGKSA-N 1 0 327.384 3.399 20 5 EGBDRO Cc1c([C@H](C)[NH2+][C@H]2CCC[C@H](N3CCCC3=O)C2)cccc1[N+](=O)[O-] ZINC000583511168 325530630 /nfs/dbraw/zinc/53/06/30/325530630.db2.gz RXZZNZDYQHJEOO-JYJNAYRXSA-N 1 0 345.443 3.487 20 5 EGBDRO CN1CCN(C)[C@@H](C[NH2+]Cc2c3ccccc3cc3ccccc32)C1 ZINC000264732833 455272571 /nfs/dbraw/zinc/27/25/71/455272571.db2.gz HWUABXCOLYGYPQ-IBGZPJMESA-N 1 0 333.479 3.328 20 5 EGBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H](c2cccc(F)c2)C2CCCC2)c1 ZINC000180998634 455274512 /nfs/dbraw/zinc/27/45/12/455274512.db2.gz AAUHLDCKBUOOOM-KRWDZBQOSA-N 1 0 332.379 3.452 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1[C@H](C)C[C@H]2CCCC[C@H]21 ZINC000245450587 455304899 /nfs/dbraw/zinc/30/48/99/455304899.db2.gz OTRPGBRFHOQIIS-CKEIUWERSA-N 1 0 331.416 3.495 20 5 EGBDRO COC(=O)c1ccc(-c2ccc(CC3(C[NH3+])CC3)cc2)c([N+](=O)[O-])c1 ZINC000600784487 460603073 /nfs/dbraw/zinc/60/30/73/460603073.db2.gz KRQUTUFMDNPFFJ-UHFFFAOYSA-N 1 0 340.379 3.330 20 5 EGBDRO Cc1cc(C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000017794533 453637220 /nfs/dbraw/zinc/63/72/20/453637220.db2.gz XSKVXKVPXHBYOG-QGZVFWFLSA-N 1 0 345.374 3.075 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CCC(OC[C@@H]2CCOC2)CC1 ZINC000612402225 460621169 /nfs/dbraw/zinc/62/11/69/460621169.db2.gz XWCMZPMFYISTHI-OICCZTGUSA-N 1 0 346.427 3.126 20 5 EGBDRO O=C(Nc1ccccc1)C1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000029198904 453827228 /nfs/dbraw/zinc/82/72/28/453827228.db2.gz CHQLUPRGDSJXGP-UHFFFAOYSA-N 1 0 339.395 3.446 20 5 EGBDRO CCCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000066473755 453847984 /nfs/dbraw/zinc/84/79/84/453847984.db2.gz QENKJDVUSKNVQM-HOCLYGCPSA-N 1 0 333.432 3.112 20 5 EGBDRO Cc1ncsc1C[N@H+](C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000066564135 453852168 /nfs/dbraw/zinc/85/21/68/453852168.db2.gz MGGJKUBSKPXCDB-UHFFFAOYSA-N 1 0 348.428 3.129 20 5 EGBDRO Cc1c(NC(=O)[C@H](C)[N@H+](C)CCc2ccccc2)cccc1[N+](=O)[O-] ZINC000053048302 453854536 /nfs/dbraw/zinc/85/45/36/453854536.db2.gz LOTFQOAPVMNRCH-HNNXBMFYSA-N 1 0 341.411 3.405 20 5 EGBDRO C[C@H](c1cccs1)[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000053430058 453878639 /nfs/dbraw/zinc/87/86/39/453878639.db2.gz TXVQEPYFUUUSDU-OCCSQVGLSA-N 1 0 336.413 3.089 20 5 EGBDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000053753057 453895183 /nfs/dbraw/zinc/89/51/83/453895183.db2.gz VZQLAZIKVIDXCA-CYBMUJFWSA-N 1 0 334.420 3.227 20 5 EGBDRO CC(C)C[NH+]1CCC(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000067265459 453915066 /nfs/dbraw/zinc/91/50/66/453915066.db2.gz UGLGDTZFURHYQL-UHFFFAOYSA-N 1 0 339.823 3.098 20 5 EGBDRO C[C@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])CC[C@@H]1NC(=O)OC(C)(C)C ZINC000265809170 455385330 /nfs/dbraw/zinc/38/53/30/455385330.db2.gz DYJSFPSXBFKSDY-ZFWWWQNUSA-N 1 0 349.431 3.330 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)N(C2CC2)C2CCCC2)cc1[N+](=O)[O-] ZINC000181841921 455388150 /nfs/dbraw/zinc/38/81/50/455388150.db2.gz OFIBPGNKQPXBRK-CQSZACIVSA-N 1 0 345.443 3.487 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000075955292 453941801 /nfs/dbraw/zinc/94/18/01/453941801.db2.gz IEDYZEWXUBGTEG-QGZVFWFLSA-N 1 0 342.399 3.328 20 5 EGBDRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000039395314 453943851 /nfs/dbraw/zinc/94/38/51/453943851.db2.gz QAOGOFWTRYMMPJ-LBPRGKRZSA-N 1 0 341.839 3.489 20 5 EGBDRO O=[N+]([O-])c1c2cccnc2ccc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000042109337 453994662 /nfs/dbraw/zinc/99/46/62/453994662.db2.gz UCYWIJGYJPFOHW-UHFFFAOYSA-N 1 0 348.406 3.465 20 5 EGBDRO CC[C@H](NC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000085417977 454028340 /nfs/dbraw/zinc/02/83/40/454028340.db2.gz WXKZYEWNLCYTFB-RRQGHBQHSA-N 1 0 348.447 3.028 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000043149088 454045538 /nfs/dbraw/zinc/04/55/38/454045538.db2.gz IZNULCUZZWZGOD-UHFFFAOYSA-N 1 0 342.399 3.287 20 5 EGBDRO C[NH+]1CCC(CNc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000044526209 454105451 /nfs/dbraw/zinc/10/54/51/454105451.db2.gz JJSVFGMXWKKYGD-UHFFFAOYSA-N 1 0 328.210 3.111 20 5 EGBDRO COc1cc(NC2CC[NH+](Cc3ccccn3)CC2)ccc1[N+](=O)[O-] ZINC000089429334 454148541 /nfs/dbraw/zinc/14/85/41/454148541.db2.gz QUXLJJQLCGBJNX-UHFFFAOYSA-N 1 0 342.399 3.075 20 5 EGBDRO COCCc1nc(C)c([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)s1 ZINC000089513508 454158138 /nfs/dbraw/zinc/15/81/38/454158138.db2.gz INYPFLLHEDQSOW-NSHDSACASA-N 1 0 335.429 3.399 20 5 EGBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)N2CCCCC2)cc1[N+](=O)[O-] ZINC000089593039 454165278 /nfs/dbraw/zinc/16/52/78/454165278.db2.gz GMCYSUVWKQMMDG-KGLIPLIRSA-N 1 0 349.431 3.045 20 5 EGBDRO Cc1ccc(NC(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000045951414 454200450 /nfs/dbraw/zinc/20/04/50/454200450.db2.gz PBNRKHIYKFMAQR-UONOGXRCSA-N 1 0 334.420 3.288 20 5 EGBDRO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000130588288 454207532 /nfs/dbraw/zinc/20/75/32/454207532.db2.gz ZIZONFHBDKKRLM-HNNXBMFYSA-N 1 0 330.388 3.151 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(CN3CCOC[C@H]3C3CC3)o2)cc1 ZINC000130684611 454213019 /nfs/dbraw/zinc/21/30/19/454213019.db2.gz FQKCCZIBALUWAM-KRWDZBQOSA-N 1 0 328.368 3.466 20 5 EGBDRO C[NH+]1CCC(CNc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1 ZINC000090088155 454276187 /nfs/dbraw/zinc/27/61/87/454276187.db2.gz RUYOOHIXEPBCGY-UHFFFAOYSA-N 1 0 326.400 3.411 20 5 EGBDRO COc1ccc([C@@H](CCO)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000120383389 454294138 /nfs/dbraw/zinc/29/41/38/454294138.db2.gz ARKSOLMLCXCLNY-FZKQIMNGSA-N 1 0 330.384 3.378 20 5 EGBDRO Cc1cc([N+](=O)[O-])cnc1N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000078674802 454296371 /nfs/dbraw/zinc/29/63/71/454296371.db2.gz OYCMVLFBLYAKMH-QGZVFWFLSA-N 1 0 340.427 3.257 20 5 EGBDRO Cc1ccc(C(=O)NCCCC[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000047015590 454318111 /nfs/dbraw/zinc/31/81/11/454318111.db2.gz YZHSPYPLIMLWQT-UHFFFAOYSA-N 1 0 333.432 3.145 20 5 EGBDRO Cc1cc2ncc([C@H](C)[NH2+]CCc3cccc([N+](=O)[O-])c3)c(C)n2n1 ZINC000090910216 454349461 /nfs/dbraw/zinc/34/94/61/454349461.db2.gz KVUTVZFFWJPYHI-ZDUSSCGKSA-N 1 0 339.399 3.148 20 5 EGBDRO C[C@H]1CCC[N@H+](CCCCNC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000120826594 454351941 /nfs/dbraw/zinc/35/19/41/454351941.db2.gz OMMBPAHCYWIHSL-INIZCTEOSA-N 1 0 347.459 3.156 20 5 EGBDRO CC[NH+](CC)CCN(CC(C)C)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000061913121 454362317 /nfs/dbraw/zinc/36/23/17/454362317.db2.gz FCMMVOOBFOGZKX-UHFFFAOYSA-N 1 0 327.450 3.096 20 5 EGBDRO COc1ccc(OCC[N@@H+]2CCc3ccsc3C2)c([N+](=O)[O-])c1 ZINC000132833031 454369908 /nfs/dbraw/zinc/36/99/08/454369908.db2.gz IRLSRDFMMKBPED-UHFFFAOYSA-N 1 0 334.397 3.102 20 5 EGBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000121272446 454414552 /nfs/dbraw/zinc/41/45/52/454414552.db2.gz MXUWIKVCSCMLNA-HNNXBMFYSA-N 1 0 332.404 3.077 20 5 EGBDRO Cc1ccc(NC(=O)NC[C@H](C)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000048050834 454437047 /nfs/dbraw/zinc/43/70/47/454437047.db2.gz XFWFVGJIVWNSRH-ZDUSSCGKSA-N 1 0 334.420 3.147 20 5 EGBDRO C[N@@H+]1CCC[C@@H]2CN(c3ccc4ncccc4c3[N+](=O)[O-])CC[C@@H]21 ZINC000133628825 454447896 /nfs/dbraw/zinc/44/78/96/454447896.db2.gz NFCXDRRWCWAJLB-CJNGLKHVSA-N 1 0 326.400 3.064 20 5 EGBDRO CCc1nn(C)c(NCC[C@@H](C)[N@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000091731038 454463244 /nfs/dbraw/zinc/46/32/44/454463244.db2.gz GQBRHBVBZKUCKE-CQSZACIVSA-N 1 0 345.447 3.213 20 5 EGBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)c1cccc(C[NH+]2CCCC2)c1 ZINC000064027271 454463883 /nfs/dbraw/zinc/46/38/83/454463883.db2.gz CNAVAKUAYDSIPG-UHFFFAOYSA-N 1 0 339.395 3.121 20 5 EGBDRO CCc1nn(C)cc1C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000091742280 454465723 /nfs/dbraw/zinc/46/57/23/454465723.db2.gz SJOAGYYFRVIQQW-KRWDZBQOSA-N 1 0 328.416 3.002 20 5 EGBDRO COc1cc(C[NH2+]CC(C)(C)c2ccccc2)c([N+](=O)[O-])cc1O ZINC000101591783 454475943 /nfs/dbraw/zinc/47/59/43/454475943.db2.gz SDKKTXNRRAFNTC-UHFFFAOYSA-N 1 0 330.384 3.376 20 5 EGBDRO CCc1cc(NCC[NH+]2CCCC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000064905042 454515466 /nfs/dbraw/zinc/51/54/66/454515466.db2.gz KMVFCCUVVBSIOK-UHFFFAOYSA-N 1 0 341.415 3.122 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc3[nH]c(=O)[nH]c3c2)cc1[N+](=O)[O-] ZINC000123079859 454599778 /nfs/dbraw/zinc/59/97/78/454599778.db2.gz IJPUPTMXAOTCAI-RYUDHWBXSA-N 1 0 340.383 3.485 20 5 EGBDRO Cc1nc(C)n(C[C@H]2CCC[N@@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC000105885036 454663972 /nfs/dbraw/zinc/66/39/72/454663972.db2.gz AXIVKAFRKFZSPP-BBRMVZONSA-N 1 0 343.431 3.276 20 5 EGBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](Cc3ccccn3)CC2)c(F)c1 ZINC000052407660 454670649 /nfs/dbraw/zinc/67/06/49/454670649.db2.gz YFEKJSFSVQFUDZ-UHFFFAOYSA-N 1 0 330.363 3.205 20 5 EGBDRO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000052486026 454676429 /nfs/dbraw/zinc/67/64/29/454676429.db2.gz GLMXDKMBLIHFHU-INIZCTEOSA-N 1 0 348.334 3.357 20 5 EGBDRO COC(=O)C(C)(C)[C@@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000093298599 454700389 /nfs/dbraw/zinc/70/03/89/454700389.db2.gz BGPIALBTLHEJNL-OAHLLOKOSA-N 1 0 334.416 3.049 20 5 EGBDRO COC(=O)C(C)(C)[C@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000093298600 454700465 /nfs/dbraw/zinc/70/04/65/454700465.db2.gz BGPIALBTLHEJNL-HNNXBMFYSA-N 1 0 334.416 3.049 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[NH+](CC(C)C)CC1 ZINC000176218990 454713352 /nfs/dbraw/zinc/71/33/52/454713352.db2.gz DAPACVBLKBZKHJ-UHFFFAOYSA-N 1 0 334.420 3.017 20 5 EGBDRO Cc1c(CC(=O)NCCCC[N@H+]2CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000161750618 454720197 /nfs/dbraw/zinc/72/01/97/454720197.db2.gz KTHAIPMZUPPXEQ-HNNXBMFYSA-N 1 0 347.459 3.074 20 5 EGBDRO COc1ccc(-c2ccc(C[N@H+](C)C[C@@H]3CCOC3)o2)c([N+](=O)[O-])c1 ZINC000093840025 454739518 /nfs/dbraw/zinc/73/95/18/454739518.db2.gz KYKMKADJNGSKAQ-ZDUSSCGKSA-N 1 0 346.383 3.332 20 5 EGBDRO C[NH+](C)CCCOc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000107192950 454746002 /nfs/dbraw/zinc/74/60/02/454746002.db2.gz JQLGVPQFMVHTMF-UHFFFAOYSA-N 1 0 343.383 3.178 20 5 EGBDRO C[N@H+](CCCOc1ccccc1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000136924080 454761031 /nfs/dbraw/zinc/76/10/31/454761031.db2.gz TVBFMAAAMHDLQA-GOSISDBHSA-N 1 0 330.384 3.029 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000162980750 454813853 /nfs/dbraw/zinc/81/38/53/454813853.db2.gz NJLBRPOOLDYQTD-UHFFFAOYSA-N 1 0 334.420 3.288 20 5 EGBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000163220092 454831537 /nfs/dbraw/zinc/83/15/37/454831537.db2.gz XRWRTZXPKGXMRW-DYVFJYSZSA-N 1 0 344.415 3.075 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCN(CC(F)(F)F)C1 ZINC000125806701 454849097 /nfs/dbraw/zinc/84/90/97/454849097.db2.gz FJRNVPALXRCWQX-NWDGAFQWSA-N 1 0 331.338 3.190 20 5 EGBDRO C[NH+](C)[C@@H]1CCCN(Cc2cc(=O)oc3ccc4ccccc4c23)C1 ZINC000111249874 454859108 /nfs/dbraw/zinc/85/91/08/454859108.db2.gz HANRCEZDTMLIQF-QGZVFWFLSA-N 1 0 336.435 3.472 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150829849 454898672 /nfs/dbraw/zinc/89/86/72/454898672.db2.gz NUWMBGFZZKMHOX-MRXNPFEDSA-N 1 0 347.459 3.300 20 5 EGBDRO CC[C@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000177813959 454909696 /nfs/dbraw/zinc/90/96/96/454909696.db2.gz PFNPICJVPOIOCL-PBHICJAKSA-N 1 0 333.432 3.427 20 5 EGBDRO COC[C@H]1CCC[N@@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000112988890 454910006 /nfs/dbraw/zinc/91/00/06/454910006.db2.gz LQGSUIXZAAPBLQ-STQMWFEESA-N 1 0 346.387 3.064 20 5 EGBDRO COc1ccc(-c2ccc(C[N@@H+]3CCC[C@H](CO)C3)o2)c([N+](=O)[O-])c1 ZINC000154593683 454910380 /nfs/dbraw/zinc/91/03/80/454910380.db2.gz DNZASOBHIQRZPS-ZDUSSCGKSA-N 1 0 346.383 3.068 20 5 EGBDRO CC[C@@H](C)[C@H](O)C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000113342524 454923850 /nfs/dbraw/zinc/92/38/50/454923850.db2.gz MVAUNEMBTAEULC-IAQYHMDHSA-N 1 0 335.429 3.215 20 5 EGBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1cc(Cl)ccc1Cl ZINC000154825554 454932761 /nfs/dbraw/zinc/93/27/61/454932761.db2.gz IEBMEFBVBUABMQ-VIFPVBQESA-N 1 0 329.187 3.449 20 5 EGBDRO COc1cccc2c1OC[C@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)C2 ZINC000178653889 454966658 /nfs/dbraw/zinc/96/66/58/454966658.db2.gz HHYZTXYTSDDQKX-IUODEOHRSA-N 1 0 328.368 3.258 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@H](C)c1ccncc1 ZINC000127458004 454967065 /nfs/dbraw/zinc/96/70/65/454967065.db2.gz JOEVMCQROXCESV-CQSZACIVSA-N 1 0 342.399 3.320 20 5 EGBDRO CCOc1ccc([C@H](C)[NH2+]CCC(=O)N2CCCCC2)cc1[N+](=O)[O-] ZINC000179402681 455045271 /nfs/dbraw/zinc/04/52/71/455045271.db2.gz OYZMPMNEOBPKPD-AWEZNQCLSA-N 1 0 349.431 3.047 20 5 EGBDRO C[C@H]([NH2+][C@@H](C)C1CCOCC1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000179857465 455090316 /nfs/dbraw/zinc/09/03/16/455090316.db2.gz TXJAXKJNQAWVEC-RYUDHWBXSA-N 1 0 346.387 3.111 20 5 EGBDRO C[NH+](C)C[C@@H]1CCN(C(=O)c2cc3ccccc3c3cccnc23)C1 ZINC000172029840 455110774 /nfs/dbraw/zinc/11/07/74/455110774.db2.gz LOSMYKGYAGXFQV-HNNXBMFYSA-N 1 0 333.435 3.412 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2ncccc2C(F)(F)F)cc1 ZINC000152535064 455133264 /nfs/dbraw/zinc/13/32/64/455133264.db2.gz DWYCYKNLBMNYOH-UHFFFAOYSA-N 1 0 325.290 3.341 20 5 EGBDRO CC(C)(C)[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1cccc(F)c1 ZINC000181056890 455281524 /nfs/dbraw/zinc/28/15/24/455281524.db2.gz YCEXTMYOCKFZCC-QGZVFWFLSA-N 1 0 347.390 3.273 20 5 EGBDRO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000245443724 455301898 /nfs/dbraw/zinc/30/18/98/455301898.db2.gz JAXOQFKOJDUQFC-JKIFEVAISA-N 1 0 331.416 3.211 20 5 EGBDRO Cc1ccnc(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)c1[N+](=O)[O-] ZINC000265196180 455302088 /nfs/dbraw/zinc/30/20/88/455302088.db2.gz LTSGDMCVJQYESM-UHFFFAOYSA-N 1 0 344.390 3.150 20 5 EGBDRO C[C@@H]1CSCC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000190411468 455311393 /nfs/dbraw/zinc/31/13/93/455311393.db2.gz HJZSOUJDZNOUMD-LBPRGKRZSA-N 1 0 333.413 3.435 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CC(C)(C)OC(C)(C)C1 ZINC000190552607 455342374 /nfs/dbraw/zinc/34/23/74/455342374.db2.gz NGWGTWVGLZFIQB-UHFFFAOYSA-N 1 0 349.431 3.121 20 5 EGBDRO CC(C)OC(=O)C[C@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000184452834 455383438 /nfs/dbraw/zinc/38/34/38/455383438.db2.gz CZVBOWDUYTZIAQ-MRXNPFEDSA-N 1 0 334.416 3.191 20 5 EGBDRO CN(C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)[C@@H]1CCC[N@H+](C)C1 ZINC000266095537 455422731 /nfs/dbraw/zinc/42/27/31/455422731.db2.gz IJYURTOFSQWVLH-CQSZACIVSA-N 1 0 333.432 3.059 20 5 EGBDRO C[C@H]([NH2+]CC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000246101067 455426876 /nfs/dbraw/zinc/42/68/76/455426876.db2.gz YDKXTEVVEKPUPH-XJIUQZFPSA-N 1 0 333.432 3.186 20 5 EGBDRO C[C@H]([NH2+][C@H]1CCN(C2CCCCC2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000160151661 455432978 /nfs/dbraw/zinc/43/29/78/455432978.db2.gz UZLULOZXNZGNMO-GUYCJALGSA-N 1 0 331.416 3.179 20 5 EGBDRO C[C@H]([NH2+]Cc1cccc(C(=O)NC2CC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000266766159 455449410 /nfs/dbraw/zinc/44/94/10/455449410.db2.gz AAFCQAOBKUZDSU-ZDUSSCGKSA-N 1 0 339.395 3.338 20 5 EGBDRO C[C@@H](CNC(=O)c1cccc(Cl)c1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC000175500255 455455011 /nfs/dbraw/zinc/45/50/11/455455011.db2.gz KCQXXUJXWNOBKM-RYUDHWBXSA-N 1 0 339.823 3.098 20 5 EGBDRO CCOC(=O)[C@@](C)(C[NH2+]Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000191632311 455506000 /nfs/dbraw/zinc/50/60/00/455506000.db2.gz YTJRWDJNXRQMBZ-IBGZPJMESA-N 1 0 342.395 3.205 20 5 EGBDRO Cc1cccc(C(C)(C)[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000182427330 455512045 /nfs/dbraw/zinc/51/20/45/455512045.db2.gz IQOBGJVRGQCTCP-MRXNPFEDSA-N 1 0 344.411 3.168 20 5 EGBDRO C[C@H](O)[C@@](C)(C[NH2+]Cc1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000191710056 455512135 /nfs/dbraw/zinc/51/21/35/455512135.db2.gz HUXYUCCQODMAST-HNAYVOBHSA-N 1 0 328.412 3.314 20 5 EGBDRO Cc1cnc([C@@H]([NH2+]CCOc2cccc([N+](=O)[O-])c2)C2CC2)s1 ZINC000185342779 455544999 /nfs/dbraw/zinc/54/49/99/455544999.db2.gz HWPVPKPBVDPLFU-HNNXBMFYSA-N 1 0 333.413 3.479 20 5 EGBDRO O=[N+]([O-])c1cccc(C[NH+]2CCC(OC[C@@H]3CCCCO3)CC2)c1 ZINC000267359678 455546992 /nfs/dbraw/zinc/54/69/92/455546992.db2.gz HVXLYRHRSGFADY-SFHVURJKSA-N 1 0 334.416 3.145 20 5 EGBDRO CCC[N@H+](CCO)Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000161216700 455549124 /nfs/dbraw/zinc/54/91/24/455549124.db2.gz RWYSXTZORPCIQD-UHFFFAOYSA-N 1 0 334.372 3.068 20 5 EGBDRO CCOC(=O)C[C@H](C)[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000182626492 455555230 /nfs/dbraw/zinc/55/52/30/455555230.db2.gz METGKXCPKYWTMN-ZDUSSCGKSA-N 1 0 338.404 3.156 20 5 EGBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000601022890 460679187 /nfs/dbraw/zinc/67/91/87/460679187.db2.gz SHGVJJPOJWQTBQ-MGPQQGTHSA-N 1 0 349.406 3.211 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@H](CN2CCOCC2)C1 ZINC000182782344 455586311 /nfs/dbraw/zinc/58/63/11/455586311.db2.gz QKFUOYQHTAIGCH-DLBZAZTESA-N 1 0 347.459 3.008 20 5 EGBDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ncc([N+](=O)[O-])s1 ZINC000192472564 455626229 /nfs/dbraw/zinc/62/62/29/455626229.db2.gz PJSNUZWUCDBSLH-OAHLLOKOSA-N 1 0 346.456 3.400 20 5 EGBDRO CSC[C@@H]1CCC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000292361768 455640635 /nfs/dbraw/zinc/64/06/35/455640635.db2.gz IEHQIRHXTAEOFP-GFCCVEGCSA-N 1 0 348.428 3.220 20 5 EGBDRO COc1ccc([C@@H](O)C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000192638242 455658731 /nfs/dbraw/zinc/65/87/31/455658731.db2.gz HBPUEIFTZLFETG-MOPGFXCFSA-N 1 0 342.395 3.304 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@H](O)c1ccc(F)cc1)CCC2 ZINC000192637348 455659226 /nfs/dbraw/zinc/65/92/26/455659226.db2.gz BBMOUNRPOLVFEP-ROUUACIJSA-N 1 0 330.359 3.435 20 5 EGBDRO C[N@@H+]1CC[C@]2(CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)C2)C1 ZINC000292449053 455666241 /nfs/dbraw/zinc/66/62/41/455666241.db2.gz YYOLPLYNUMEEKH-AWEZNQCLSA-N 1 0 329.322 3.146 20 5 EGBDRO C[C@@H]1C[N@H+](CCCNc2ccc([N+](=O)[O-])c3cccnc23)CCCO1 ZINC000277847343 455684287 /nfs/dbraw/zinc/68/42/87/455684287.db2.gz CDVLKVBSQBKQFR-CQSZACIVSA-N 1 0 344.415 3.056 20 5 EGBDRO COc1cccc([C@@H](C)[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000271627581 455704183 /nfs/dbraw/zinc/70/41/83/455704183.db2.gz FBYOOPYKBCXNNU-CYBMUJFWSA-N 1 0 343.383 3.283 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H]1CCCO[C@H]1CC(C)C ZINC000186309312 455739771 /nfs/dbraw/zinc/73/97/71/455739771.db2.gz MBSVQTUIPUORTN-RDJZCZTQSA-N 1 0 349.431 3.025 20 5 EGBDRO Cc1ccc([C@H](O)C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)o1 ZINC000268973564 455750572 /nfs/dbraw/zinc/75/05/72/455750572.db2.gz IPBZVFJHMLZZTF-NVXWUHKLSA-N 1 0 330.384 3.141 20 5 EGBDRO CCCCC[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000271760999 455750878 /nfs/dbraw/zinc/75/08/78/455750878.db2.gz CVTVZZAAUMHFLD-QZTJIDSGSA-N 1 0 346.431 3.063 20 5 EGBDRO COC(=O)N1CCC([C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000186385163 455757591 /nfs/dbraw/zinc/75/75/91/455757591.db2.gz FWLUJUWFIPFTMJ-QWHCGFSZSA-N 1 0 335.404 3.112 20 5 EGBDRO C[NH2+]Cc1cccc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000269134561 455795947 /nfs/dbraw/zinc/79/59/47/455795947.db2.gz PATLXCZOOUZLGB-UHFFFAOYSA-N 1 0 327.384 3.231 20 5 EGBDRO CC[C@@H](C[N@H+](CC)CCn1cc([N+](=O)[O-])ccc1=O)c1ccccc1 ZINC000186608632 455804274 /nfs/dbraw/zinc/80/42/74/455804274.db2.gz GDOLDHJCMBCRCR-INIZCTEOSA-N 1 0 343.427 3.272 20 5 EGBDRO CC[C@@H]1CN(c2cccnc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000612664533 460691990 /nfs/dbraw/zinc/69/19/90/460691990.db2.gz UXQXRZJYTRGFRO-MRXNPFEDSA-N 1 0 326.400 3.091 20 5 EGBDRO Cc1ccc([C@@H](C)NCCC[N@@H+]2CCCO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000278375615 455833744 /nfs/dbraw/zinc/83/37/44/455833744.db2.gz CCOKUQKLIUWBRC-JKSUJKDBSA-N 1 0 335.448 3.055 20 5 EGBDRO CCOC(=O)c1ccc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])o1 ZINC000285407391 455838193 /nfs/dbraw/zinc/83/81/93/455838193.db2.gz UNJWJUIPRDIFEH-UHFFFAOYSA-N 1 0 332.356 3.039 20 5 EGBDRO CCC[C@]1([NH2+]CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CCOC1 ZINC000285482357 455854985 /nfs/dbraw/zinc/85/49/85/455854985.db2.gz IFVOYDBUPLFQAS-SFHVURJKSA-N 1 0 345.399 3.341 20 5 EGBDRO COc1ccc(OCC[NH2+]C(C)(C)c2c(C)noc2C)c([N+](=O)[O-])c1 ZINC000285488171 455855877 /nfs/dbraw/zinc/85/58/77/455855877.db2.gz BYXPPXSZXPEBPX-UHFFFAOYSA-N 1 0 349.387 3.112 20 5 EGBDRO COCCCOc1ccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000285505821 455860008 /nfs/dbraw/zinc/86/00/08/455860008.db2.gz JMMFMCCFRRYUGX-UHFFFAOYSA-N 1 0 330.384 3.300 20 5 EGBDRO Cc1cccc(CC[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000280224974 455921118 /nfs/dbraw/zinc/92/11/18/455921118.db2.gz VAAMJSQEDAWPBA-GOSISDBHSA-N 1 0 325.412 3.452 20 5 EGBDRO CO[C@@]1(C)CCC[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000280233427 455922844 /nfs/dbraw/zinc/92/28/44/455922844.db2.gz AOEAVQSETFIBLD-SFHVURJKSA-N 1 0 349.431 3.123 20 5 EGBDRO Nc1cccc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000261753718 455940577 /nfs/dbraw/zinc/94/05/77/455940577.db2.gz WTIXNFQKHIAWDF-UHFFFAOYSA-N 1 0 327.384 3.220 20 5 EGBDRO C[NH2+]CCC1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 ZINC000262129239 456002407 /nfs/dbraw/zinc/00/24/07/456002407.db2.gz WPWYIMGJVFRUAU-UHFFFAOYSA-N 1 0 347.440 3.271 20 5 EGBDRO Cn1ncc2c1CCC[C@H]2[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000272604885 456010003 /nfs/dbraw/zinc/01/00/03/456010003.db2.gz JMMPJDDHEBPWSV-CQSZACIVSA-N 1 0 334.807 3.191 20 5 EGBDRO CCC(=O)c1ccc(N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000286262768 456012072 /nfs/dbraw/zinc/01/20/72/456012072.db2.gz GUCGGSAOXIFKFH-ZFWWWQNUSA-N 1 0 331.416 3.251 20 5 EGBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1c1ccc([N+](=O)[O-])c2cnccc21 ZINC000286299154 456018762 /nfs/dbraw/zinc/01/87/62/456018762.db2.gz GAVYXLPOLYVFPA-XJKSGUPXSA-N 1 0 326.400 3.206 20 5 EGBDRO CC(C)c1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1[N+](=O)[O-] ZINC000296803903 456041898 /nfs/dbraw/zinc/04/18/98/456041898.db2.gz BRSFLKNZLJFSRM-GOOCMWNKSA-N 1 0 331.416 3.073 20 5 EGBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2ccc(N)cc2[N+](=O)[O-])C1 ZINC000286427382 456046622 /nfs/dbraw/zinc/04/66/22/456046622.db2.gz BMQDINLIPJOHGI-CABCVRRESA-N 1 0 332.448 3.268 20 5 EGBDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2ccc(N)cc2[N+](=O)[O-])C1 ZINC000286427386 456046813 /nfs/dbraw/zinc/04/68/13/456046813.db2.gz BMQDINLIPJOHGI-HUUCEWRRSA-N 1 0 332.448 3.268 20 5 EGBDRO CC(=O)Nc1ccc([C@@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])cc1 ZINC000272763045 456064020 /nfs/dbraw/zinc/06/40/20/456064020.db2.gz QUTYFWDEAZJFHW-CYBMUJFWSA-N 1 0 327.384 3.447 20 5 EGBDRO COC[C@H]1CC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000271154519 456144256 /nfs/dbraw/zinc/14/42/56/456144256.db2.gz CIWXMEAGVNMUIY-LBPRGKRZSA-N 1 0 333.413 3.187 20 5 EGBDRO C[N@H+](CCNC(=O)Nc1cccc([N+](=O)[O-])c1Cl)C1CCCC1 ZINC000289833663 456149680 /nfs/dbraw/zinc/14/96/80/456149680.db2.gz WZEVHIMMIJTTNH-UHFFFAOYSA-N 1 0 340.811 3.244 20 5 EGBDRO Cc1ccnc(N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000301616112 456163675 /nfs/dbraw/zinc/16/36/75/456163675.db2.gz JNICILJSFBBSOS-GDBMZVCRSA-N 1 0 326.400 3.373 20 5 EGBDRO Cc1nc(N2CC[N@H+](Cc3ccccc3)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000301623268 456166510 /nfs/dbraw/zinc/16/65/10/456166510.db2.gz GBZJLCUOTHSYNR-UHFFFAOYSA-N 1 0 340.427 3.399 20 5 EGBDRO Cc1cc([N+](=O)[O-])cnc1N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000301628507 456167661 /nfs/dbraw/zinc/16/76/61/456167661.db2.gz RQITWUVXGCEORO-GOEBONIOSA-N 1 0 326.400 3.373 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)c1 ZINC000273079494 456171523 /nfs/dbraw/zinc/17/15/23/456171523.db2.gz HAVDOEBKLCRLAH-KRWDZBQOSA-N 1 0 341.411 3.082 20 5 EGBDRO Cc1nc(N[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000301639973 456172012 /nfs/dbraw/zinc/17/20/12/456172012.db2.gz GFPKUVOKVKZPMY-BBRMVZONSA-N 1 0 326.400 3.373 20 5 EGBDRO C[C@]1([NH2+]Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CCO[C@H]1C1CC1 ZINC000273110592 456181464 /nfs/dbraw/zinc/18/14/64/456181464.db2.gz XLBALHREKRGHLD-WMZOPIPTSA-N 1 0 343.383 3.297 20 5 EGBDRO Cc1nc(N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000301671182 456181517 /nfs/dbraw/zinc/18/15/17/456181517.db2.gz QMJUSPRKGQNOJC-QGZVFWFLSA-N 1 0 340.427 3.257 20 5 EGBDRO Cc1cc(NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)ccc1[N+](=O)[O-] ZINC000301676069 456183871 /nfs/dbraw/zinc/18/38/71/456183871.db2.gz CDOMWUQDHBDTLG-ZWKOTPCHSA-N 1 0 333.432 3.083 20 5 EGBDRO Cc1ccc([C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2)[NH+]2CCCC2)o1 ZINC000263687755 456192142 /nfs/dbraw/zinc/19/21/42/456192142.db2.gz HZBLPZHDWUGWMW-MRXNPFEDSA-N 1 0 343.383 3.063 20 5 EGBDRO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@H]1CCOC(C)(C)C1 ZINC000289989951 456207481 /nfs/dbraw/zinc/20/74/81/456207481.db2.gz YHZBIDCPNYZTNG-HNNXBMFYSA-N 1 0 349.431 3.121 20 5 EGBDRO CN(C)C(=O)CCC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000237142253 456237908 /nfs/dbraw/zinc/23/79/08/456237908.db2.gz MZMQFOHZZSZMFU-UHFFFAOYSA-N 1 0 347.440 3.281 20 5 EGBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2c2nccc3cc([N+](=O)[O-])ccc32)C1 ZINC000297548319 456248142 /nfs/dbraw/zinc/24/81/42/456248142.db2.gz QOSUKCNNKHUPPQ-PBHICJAKSA-N 1 0 326.400 3.064 20 5 EGBDRO COc1cc(NC[C@H](C)C[NH+]2CCCCC2)c(F)cc1[N+](=O)[O-] ZINC000301983568 456263977 /nfs/dbraw/zinc/26/39/77/456263977.db2.gz KCXKFAIXMPBWKV-LBPRGKRZSA-N 1 0 325.384 3.276 20 5 EGBDRO CCCN(CC[NH+]1CCCC1)C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000297727158 456280583 /nfs/dbraw/zinc/28/05/83/456280583.db2.gz SXXZOVYODATQQY-HNNXBMFYSA-N 1 0 348.447 3.173 20 5 EGBDRO COc1ccc(NC(=O)CC[N@H+](CC(C)C)C2CC2)c([N+](=O)[O-])c1 ZINC000297828370 456304191 /nfs/dbraw/zinc/30/41/91/456304191.db2.gz JSBDMIWHOVRUKX-UHFFFAOYSA-N 1 0 335.404 3.052 20 5 EGBDRO C[NH+]1CCC(N(Cc2ccco2)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000290414529 456321327 /nfs/dbraw/zinc/32/13/27/456321327.db2.gz KHUVUVYAWJJLRJ-UHFFFAOYSA-N 1 0 329.400 3.284 20 5 EGBDRO Cc1cc(F)ccc1C1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000298189958 456386483 /nfs/dbraw/zinc/38/64/83/456386483.db2.gz BGOGXFFABRLHQF-UHFFFAOYSA-N 1 0 332.379 3.118 20 5 EGBDRO C[C@H](CNc1c2c(ccc1[N+](=O)[O-])NCC2)[N@H+](C)Cc1ccccc1 ZINC000302886426 456427683 /nfs/dbraw/zinc/42/76/83/456427683.db2.gz NBNWBXINMQFIEH-CQSZACIVSA-N 1 0 340.427 3.495 20 5 EGBDRO C[N@H+](CCNc1c2c(ccc1[N+](=O)[O-])NCC2)Cc1ccc(F)cc1 ZINC000302909269 456433832 /nfs/dbraw/zinc/43/38/32/456433832.db2.gz YOCDTGILBWFWOH-UHFFFAOYSA-N 1 0 344.390 3.246 20 5 EGBDRO CCCN(CCC[NH+](C)C)C(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000276307444 456440830 /nfs/dbraw/zinc/44/08/30/456440830.db2.gz FQLDXCQHDFNCPA-UHFFFAOYSA-N 1 0 339.461 3.121 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000276407340 456471807 /nfs/dbraw/zinc/47/18/07/456471807.db2.gz LQXIIMGLMXVPCX-GOEBONIOSA-N 1 0 346.431 3.160 20 5 EGBDRO CCC(CC)[C@@H](CNC(=O)Nc1ccc(C)c([N+](=O)[O-])c1)[NH+](C)C ZINC000303870867 456492883 /nfs/dbraw/zinc/49/28/83/456492883.db2.gz UXXMFDWCFYQNLW-MRXNPFEDSA-N 1 0 336.436 3.391 20 5 EGBDRO C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)cc2)C1 ZINC000343263696 456493576 /nfs/dbraw/zinc/49/35/76/456493576.db2.gz NCILVVVIPDMWBR-CYBMUJFWSA-N 1 0 342.399 3.407 20 5 EGBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cc(F)cc2c1OCOC2 ZINC000282514644 456537951 /nfs/dbraw/zinc/53/79/51/456537951.db2.gz SLJWAXXCHZLUMR-UHFFFAOYSA-N 1 0 346.358 3.275 20 5 EGBDRO CC(C)(CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000276656832 456543542 /nfs/dbraw/zinc/54/35/42/456543542.db2.gz BFIMUQLVNOWUEI-UHFFFAOYSA-N 1 0 339.823 3.100 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)c1ccc2n[nH]cc2c1 ZINC000353186990 456546980 /nfs/dbraw/zinc/54/69/80/456546980.db2.gz FEFDPIUBJVZCGB-LLVKDONJSA-N 1 0 326.356 3.331 20 5 EGBDRO COc1cccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000298893115 456564365 /nfs/dbraw/zinc/56/43/65/456564365.db2.gz YINSFWSLHPVJKG-STQMWFEESA-N 1 0 343.383 3.281 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCCN(Cc3ccccc3)C2)cc1 ZINC000310209412 456579479 /nfs/dbraw/zinc/57/94/79/456579479.db2.gz AQPXVMDFWPCTDT-LJQANCHMSA-N 1 0 339.439 3.392 20 5 EGBDRO CCOc1cc(C[N@@H+]2CCC[C@H](c3nc(C)no3)C2)ccc1[N+](=O)[O-] ZINC000276859347 456601090 /nfs/dbraw/zinc/60/10/90/456601090.db2.gz GBUMCBOCYWVQSE-AWEZNQCLSA-N 1 0 346.387 3.065 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)c(Cl)c1 ZINC000348310917 456614540 /nfs/dbraw/zinc/61/45/40/456614540.db2.gz SZWWVVVEZJGDOH-JOYOIKCWSA-N 1 0 338.713 3.448 20 5 EGBDRO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CC[C@](CO)(c3ccccc3)C2)c1 ZINC000291376762 456624182 /nfs/dbraw/zinc/62/41/82/456624182.db2.gz ZUEHDZQVLZUYOM-SFHVURJKSA-N 1 0 346.814 3.384 20 5 EGBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2c2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000276936053 456625232 /nfs/dbraw/zinc/62/52/32/456625232.db2.gz AFNZIXXYTQYRHD-YOEHRIQHSA-N 1 0 326.400 3.064 20 5 EGBDRO CC[C@H]1[C@H](C)CC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000299186815 456628799 /nfs/dbraw/zinc/62/87/99/456628799.db2.gz BZTMQULDDWTQRR-DOMZBBRYSA-N 1 0 335.404 3.052 20 5 EGBDRO CCOc1cc(C[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)ccc1[N+](=O)[O-] ZINC000276960320 456631888 /nfs/dbraw/zinc/63/18/88/456631888.db2.gz VKICTQSTTCLYAN-AWEZNQCLSA-N 1 0 330.388 3.096 20 5 EGBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000291489495 456658693 /nfs/dbraw/zinc/65/86/93/456658693.db2.gz SKSWNRNZFQCMDR-SNVBAGLBSA-N 1 0 346.214 3.116 20 5 EGBDRO Cc1cc(NCC2([C@@H](O)C(C)C)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000340804679 456693720 /nfs/dbraw/zinc/69/37/20/456693720.db2.gz TUJCWXZGTMDJPB-KRWDZBQOSA-N 1 0 329.400 3.082 20 5 EGBDRO CO[C@]1(C)C[C@@H]([NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1(C)C ZINC000340855436 456721881 /nfs/dbraw/zinc/72/18/81/456721881.db2.gz XOWPAPBBZQRSEM-WBHUJUFNSA-N 1 0 349.431 3.023 20 5 EGBDRO C[N@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CCC[C@@H]1O ZINC000348560556 456766987 /nfs/dbraw/zinc/76/69/87/456766987.db2.gz VKDAUSFFYJXRBV-CABCVRRESA-N 1 0 333.413 3.064 20 5 EGBDRO CCCn1ccnc1CCC[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000277303443 456769410 /nfs/dbraw/zinc/76/94/10/456769410.db2.gz UJBJRWOYZYBUAT-UHFFFAOYSA-N 1 0 346.431 3.145 20 5 EGBDRO COCC[C@@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C(C)(C)C ZINC000338352365 456782693 /nfs/dbraw/zinc/78/26/93/456782693.db2.gz KMEPXAHQMWCHRC-CQSZACIVSA-N 1 0 348.403 3.186 20 5 EGBDRO COc1ccc(CC[C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1O ZINC000277336156 456783216 /nfs/dbraw/zinc/78/32/16/456783216.db2.gz XSNMOQBQMKAQET-ZDUSSCGKSA-N 1 0 330.384 3.420 20 5 EGBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccc([S@@](C)=O)cc1 ZINC000348669559 456809592 /nfs/dbraw/zinc/80/95/92/456809592.db2.gz GLPNYSKDOBAQPK-HSZRJFAPSA-N 1 0 332.425 3.007 20 5 EGBDRO CS[C@@H]1CN(c2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000349219497 456916006 /nfs/dbraw/zinc/91/60/06/456916006.db2.gz VZAFIWSJXYNWRS-HUUCEWRRSA-N 1 0 341.864 3.264 20 5 EGBDRO C[C@@H]1CCCC[N@@H+]1CCC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000345813218 456999081 /nfs/dbraw/zinc/99/90/81/456999081.db2.gz UZQCURRLLCEPSC-CQSZACIVSA-N 1 0 333.432 3.211 20 5 EGBDRO CC[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1ccccc1 ZINC000339229171 457004958 /nfs/dbraw/zinc/00/49/58/457004958.db2.gz CXUBNBNCESJPAV-KRWDZBQOSA-N 1 0 327.384 3.444 20 5 EGBDRO CC[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1ccccc1 ZINC000339229172 457005203 /nfs/dbraw/zinc/00/52/03/457005203.db2.gz CXUBNBNCESJPAV-QGZVFWFLSA-N 1 0 327.384 3.444 20 5 EGBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)C[N@H+](C)C(C)C ZINC000356762250 457155572 /nfs/dbraw/zinc/15/55/72/457155572.db2.gz FMRWGAFFSQVQRI-GFCCVEGCSA-N 1 0 339.461 3.165 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@](C)(CO)c1ccccc1 ZINC000342225251 457179298 /nfs/dbraw/zinc/17/92/98/457179298.db2.gz NHDILYQWIZDAPI-LJQANCHMSA-N 1 0 344.411 3.033 20 5 EGBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[C@@H]1C ZINC000354389562 457193932 /nfs/dbraw/zinc/19/39/32/457193932.db2.gz JBWXYFNNLKSCRR-FZMZJTMJSA-N 1 0 339.823 3.193 20 5 EGBDRO Cc1nc(CC[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)sc1C ZINC000331523562 457201326 /nfs/dbraw/zinc/20/13/26/457201326.db2.gz WENCJNYTLNPWLL-UONOGXRCSA-N 1 0 349.460 3.181 20 5 EGBDRO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](CC3CC3)C2)c([N+](=O)[O-])c1 ZINC000339670381 457201993 /nfs/dbraw/zinc/20/19/93/457201993.db2.gz BZHNGDNIJQLJNG-OCCSQVGLSA-N 1 0 347.415 3.052 20 5 EGBDRO O=C(CC[N@@H+]1CCS[C@H]2CCCC[C@H]21)Nc1ccc([N+](=O)[O-])cc1 ZINC000331625680 457220496 /nfs/dbraw/zinc/22/04/96/457220496.db2.gz GHALWJJTAJBYAP-CVEARBPZSA-N 1 0 349.456 3.283 20 5 EGBDRO COc1cc(C)ccc1C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000351525413 457302461 /nfs/dbraw/zinc/30/24/61/457302461.db2.gz RUGNHKYKLMNWFO-HOTGVXAUSA-N 1 0 344.415 3.382 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000347313051 457346328 /nfs/dbraw/zinc/34/63/28/457346328.db2.gz NPJXMEUWGZILEH-YJBOKZPZSA-N 1 0 347.459 3.441 20 5 EGBDRO Cc1ccc([C@H](C)NC(=O)N2CCC[N@@H+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000332392170 457361385 /nfs/dbraw/zinc/36/13/85/457361385.db2.gz XJGKXGCEKWMTNO-HNNXBMFYSA-N 1 0 348.447 3.090 20 5 EGBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000360847626 457383164 /nfs/dbraw/zinc/38/31/64/457383164.db2.gz FZURPMQXEDQIKQ-CQSZACIVSA-N 1 0 347.419 3.352 20 5 EGBDRO C[C@@]1([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCCOC1 ZINC000357341081 457459342 /nfs/dbraw/zinc/45/93/42/457459342.db2.gz CBOBSTYTAITHER-MRXNPFEDSA-N 1 0 333.413 3.377 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC(CCCn3ccnc3)CC2)cc1 ZINC000361044848 457539658 /nfs/dbraw/zinc/53/96/58/457539658.db2.gz JWAUBSQUTCQKKG-UHFFFAOYSA-N 1 0 328.416 3.484 20 5 EGBDRO CC(C)(O)C[N@H+](Cc1ccc(Br)cc1[N+](=O)[O-])C1CC1 ZINC000425431530 457550924 /nfs/dbraw/zinc/55/09/24/457550924.db2.gz IGEAJENXIKKLAE-UHFFFAOYSA-N 1 0 343.221 3.093 20 5 EGBDRO COCC(C)(C)[NH+]1CCN([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000425501985 457578664 /nfs/dbraw/zinc/57/86/64/457578664.db2.gz GCXBRQRFNVZKGT-OAHLLOKOSA-N 1 0 335.448 3.007 20 5 EGBDRO CCc1cnccc1[C@@H](C)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000361138318 457608135 /nfs/dbraw/zinc/60/81/35/457608135.db2.gz ZRHMJVKIOGYWJD-CYBMUJFWSA-N 1 0 342.399 3.232 20 5 EGBDRO CC(C)[NH+]1CCN(c2cccc(Nc3ncc([N+](=O)[O-])s3)c2)CC1 ZINC000409720667 457614375 /nfs/dbraw/zinc/61/43/75/457614375.db2.gz JPACCMADZKMYDH-UHFFFAOYSA-N 1 0 347.444 3.325 20 5 EGBDRO CSc1cccc(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)c1[N+](=O)[O-] ZINC000364517542 457630676 /nfs/dbraw/zinc/63/06/76/457630676.db2.gz IIIKAPOOBAEMIS-GFCCVEGCSA-N 1 0 349.456 3.063 20 5 EGBDRO CC1(C)C[C@H]([NH2+][C@H]2CCn3ccnc3C2)c2cc([N+](=O)[O-])ccc21 ZINC000433064480 457656682 /nfs/dbraw/zinc/65/66/82/457656682.db2.gz AZBPHBANXRKJGL-LRDDRELGSA-N 1 0 326.400 3.118 20 5 EGBDRO C[C@@H]1CCC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)[C@H]1C ZINC000357729945 457671741 /nfs/dbraw/zinc/67/17/41/457671741.db2.gz JUOXMVRGHPVCQH-OLZOCXBDSA-N 1 0 333.388 3.013 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H](C)CCC[C@@H]1C ZINC000357747883 457676824 /nfs/dbraw/zinc/67/68/24/457676824.db2.gz RCOSGUYSSMZHEJ-KGLIPLIRSA-N 1 0 349.431 3.443 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CC(=O)N(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000357802716 457695354 /nfs/dbraw/zinc/69/53/54/457695354.db2.gz WCEKNUVPHREFCL-GDBMZVCRSA-N 1 0 339.395 3.359 20 5 EGBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000357821209 457702132 /nfs/dbraw/zinc/70/21/32/457702132.db2.gz VNQFVQFOXFJSIV-KBPBESRZSA-N 1 0 336.436 3.075 20 5 EGBDRO C[C@@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)[N@@H+]1CCC[C@H](C)C1 ZINC000357838497 457707225 /nfs/dbraw/zinc/70/72/25/457707225.db2.gz LEPKNJXWSRMYID-STQMWFEESA-N 1 0 345.399 3.191 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+]([C@@H]3CCc4ccc(F)cc43)C2)nc1 ZINC000361399044 457718319 /nfs/dbraw/zinc/71/83/19/457718319.db2.gz CDIZHWUQIVUATB-WMLDXEAASA-N 1 0 342.374 3.303 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](C)C[C@@H](C)C1 ZINC000443644572 457796068 /nfs/dbraw/zinc/79/60/68/457796068.db2.gz YNORTPQAJMPURX-UONOGXRCSA-N 1 0 349.431 3.300 20 5 EGBDRO CCC[N@H+](CC(C)C)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000411202403 457828901 /nfs/dbraw/zinc/82/89/01/457828901.db2.gz ODGFYUWZHVBTJG-ZDUSSCGKSA-N 1 0 337.420 3.298 20 5 EGBDRO CC[C@@H]1C[C@@H](C)C[N@@H+]1CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000411302403 457853431 /nfs/dbraw/zinc/85/34/31/457853431.db2.gz ORJKXVVCEZFNGO-CHWSQXEVSA-N 1 0 335.404 3.052 20 5 EGBDRO O=C(CN1CCC[C@@H]2CCC[C@@H]21)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000444189501 457866091 /nfs/dbraw/zinc/86/60/91/457866091.db2.gz VIYPILUNDIIYHU-FZMZJTMJSA-N 1 0 337.807 3.451 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000366647566 457874714 /nfs/dbraw/zinc/87/47/14/457874714.db2.gz SUYCBGMYWKZZKA-ZBFHGGJFSA-N 1 0 346.383 3.285 20 5 EGBDRO O=C(CC[N@@H+]1CCC[C@@H]1c1cccnc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411413010 457880781 /nfs/dbraw/zinc/88/07/81/457880781.db2.gz GHRRPNNNSCWVPD-QGZVFWFLSA-N 1 0 340.383 3.156 20 5 EGBDRO CC[C@H](c1ccncc1)[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411424078 457883824 /nfs/dbraw/zinc/88/38/24/457883824.db2.gz KOZMUFILHSDGAU-QGZVFWFLSA-N 1 0 342.399 3.402 20 5 EGBDRO COc1ccc(NC(=O)CC[N@H+](C)[C@H]2CC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000411632286 457933993 /nfs/dbraw/zinc/93/39/93/457933993.db2.gz POVLZERKXYFMLS-STQMWFEESA-N 1 0 335.404 3.052 20 5 EGBDRO CC[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@H]1CCCC[C@@H]1C ZINC000444671309 457934767 /nfs/dbraw/zinc/93/47/67/457934767.db2.gz GBFLCQIBBKVCOV-YOEHRIQHSA-N 1 0 345.443 3.385 20 5 EGBDRO COc1ccc(NC(=O)CC[N@H+](CC2CCC2)C(C)C)c([N+](=O)[O-])c1 ZINC000411643430 457937939 /nfs/dbraw/zinc/93/79/39/457937939.db2.gz MEHGTWUJGGFVJM-UHFFFAOYSA-N 1 0 349.431 3.443 20 5 EGBDRO C[N@@H+]1CCC[C@H](CCNC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000458163460 457950598 /nfs/dbraw/zinc/95/05/98/457950598.db2.gz JJCKSLJNVKAZIR-CQSZACIVSA-N 1 0 347.459 3.354 20 5 EGBDRO CSc1ccc(C(=O)N2CCC3(CCC[N@@H+]3C)CC2)cc1[N+](=O)[O-] ZINC000371494658 457961484 /nfs/dbraw/zinc/96/14/84/457961484.db2.gz ZSSBINVBUMLXKB-UHFFFAOYSA-N 1 0 349.456 3.017 20 5 EGBDRO CC[NH+](CC)CCSc1c(Cl)cc([N+](=O)[O-])cc1C(=O)OC ZINC000427992132 458062477 /nfs/dbraw/zinc/06/24/77/458062477.db2.gz LHEZDDWTBJQQIA-UHFFFAOYSA-N 1 0 346.836 3.469 20 5 EGBDRO CC[C@@H](C)[NH+]1CCN(C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000458520894 458079897 /nfs/dbraw/zinc/07/98/97/458079897.db2.gz UUKYPQAHRZJVAB-CABCVRRESA-N 1 0 348.447 3.090 20 5 EGBDRO CC1(C)CN(CCOc2cccc([N+](=O)[O-])c2)C[C@H](C(F)(F)F)O1 ZINC000428925215 458232962 /nfs/dbraw/zinc/23/29/62/458232962.db2.gz FSAKRVJFNVEHBO-CYBMUJFWSA-N 1 0 348.321 3.015 20 5 EGBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]CC3=Cc4ccccc4OC3)nc2c1 ZINC000446842678 458236081 /nfs/dbraw/zinc/23/60/81/458236081.db2.gz GZARFKMDMLGPGV-UHFFFAOYSA-N 1 0 336.351 3.037 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000429016477 458256599 /nfs/dbraw/zinc/25/65/99/458256599.db2.gz AEAHQWMVUIWVQN-IIDMSEBBSA-N 1 0 347.459 3.156 20 5 EGBDRO C[C@@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)Cc2ccccc2O1 ZINC000429139281 458278720 /nfs/dbraw/zinc/27/87/20/458278720.db2.gz XIVFRLGGDJMZJW-CQSZACIVSA-N 1 0 328.368 3.257 20 5 EGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCOC2CCCCC2)n1 ZINC000447530925 458305552 /nfs/dbraw/zinc/30/55/52/458305552.db2.gz PQOJAPZNHWFERW-HZPDHXFCSA-N 1 0 336.436 3.214 20 5 EGBDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1F ZINC000447559877 458311781 /nfs/dbraw/zinc/31/17/81/458311781.db2.gz BKRQQBJMKHVTII-HUUCEWRRSA-N 1 0 348.378 3.213 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1ccc(OCCO)cc1)CCC2 ZINC000447578197 458314973 /nfs/dbraw/zinc/31/49/73/458314973.db2.gz DHGAVBAYVGDZOT-LJQANCHMSA-N 1 0 342.395 3.133 20 5 EGBDRO Cc1csc([C@H](C)C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000447591874 458318108 /nfs/dbraw/zinc/31/81/08/458318108.db2.gz JDRLHDWLKVBNEG-KWCYVHTRSA-N 1 0 349.460 3.433 20 5 EGBDRO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000459295760 458318524 /nfs/dbraw/zinc/31/85/24/458318524.db2.gz GWECISUIGWYKQW-UHFFFAOYSA-N 1 0 342.399 3.378 20 5 EGBDRO COc1cc(C[NH2+][C@H]2C[C@H](c3ccccc3F)C2)c([N+](=O)[O-])cc1O ZINC000369706228 458322201 /nfs/dbraw/zinc/32/22/01/458322201.db2.gz IPNQUIWGXZGWSY-AULYBMBSSA-N 1 0 346.358 3.484 20 5 EGBDRO C[C@H](CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000429803762 458373155 /nfs/dbraw/zinc/37/31/55/458373155.db2.gz GPFDDNYOVCVXEX-OAHLLOKOSA-N 1 0 347.459 3.109 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000459451744 458376078 /nfs/dbraw/zinc/37/60/78/458376078.db2.gz VMUBXGADLAXRPY-AWEZNQCLSA-N 1 0 334.420 3.065 20 5 EGBDRO C[C@H](CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1C ZINC000429863920 458379015 /nfs/dbraw/zinc/37/90/15/458379015.db2.gz HIMVMWMVFGRSMP-LSDHHAIUSA-N 1 0 347.459 3.252 20 5 EGBDRO O=[N+]([O-])c1cccnc1N1CC[NH+]([C@H]2CCCc3ccccc32)CC1 ZINC000459499452 458392547 /nfs/dbraw/zinc/39/25/47/458392547.db2.gz AYJWODXOOKNLBX-KRWDZBQOSA-N 1 0 338.411 3.189 20 5 EGBDRO C[N@@H+]1CC[C@]2(CCN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2)C1 ZINC000430134656 458407671 /nfs/dbraw/zinc/40/76/71/458407671.db2.gz REQXWBQRBJRBBE-IBGZPJMESA-N 1 0 341.411 3.382 20 5 EGBDRO COc1ccc(-c2ccc(C[N@@H+]3CC[C@H](O)C[C@@H]3C)o2)c([N+](=O)[O-])c1 ZINC000430141990 458408960 /nfs/dbraw/zinc/40/89/60/458408960.db2.gz SQAUIJYXBCOKBI-STQMWFEESA-N 1 0 346.383 3.209 20 5 EGBDRO COC(=O)[C@H]1CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])[C@H]1C(C)C ZINC000430142062 458409200 /nfs/dbraw/zinc/40/92/00/458409200.db2.gz SUHVWLPDRQZULL-ZEXGLFEZSA-N 1 0 332.400 3.128 20 5 EGBDRO Cn1cc(C[NH+]2CC3(C2)CCCC3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000459555407 458409818 /nfs/dbraw/zinc/40/98/18/458409818.db2.gz CFFAYTGIAKYLLP-UHFFFAOYSA-N 1 0 326.400 3.371 20 5 EGBDRO Cc1ccc(CCC[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000373284896 458452878 /nfs/dbraw/zinc/45/28/78/458452878.db2.gz MUKGBKQFEWDWEA-UHFFFAOYSA-N 1 0 328.416 3.369 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000459750759 458467207 /nfs/dbraw/zinc/46/72/07/458467207.db2.gz JTQOSADEMWBGAC-ZWKOTPCHSA-N 1 0 348.443 3.367 20 5 EGBDRO C[C@@H]1C[C@H](c2cccnc2)N(CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000373411697 458485398 /nfs/dbraw/zinc/48/53/98/458485398.db2.gz GVFUKMKDXXEPCS-CXAGYDPISA-N 1 0 340.383 3.011 20 5 EGBDRO O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000437861107 458503587 /nfs/dbraw/zinc/50/35/87/458503587.db2.gz AFEUDXOCSFBVCH-MRXNPFEDSA-N 1 0 349.406 3.261 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1cn2ccccc2n1 ZINC000468632008 458529491 /nfs/dbraw/zinc/52/94/91/458529491.db2.gz UOEZVTYVGZMUAQ-PTNGSMBKSA-N 1 0 336.395 3.478 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCC(=O)NC1CCCCC1 ZINC000468650858 458529774 /nfs/dbraw/zinc/52/97/74/458529774.db2.gz WHHNFFCOYXQCEW-QINSGFPZSA-N 1 0 345.443 3.427 20 5 EGBDRO C[C@H](C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccc(F)cc1 ZINC000438092284 458530608 /nfs/dbraw/zinc/53/06/08/458530608.db2.gz FXNROJYDKUHFPK-CJNGLKHVSA-N 1 0 344.390 3.419 20 5 EGBDRO C[C@H]1CCN(C(=O)c2cc3ccccc3c3cccnc23)C[C@@H]1C[NH3+] ZINC000424000250 458534108 /nfs/dbraw/zinc/53/41/08/458534108.db2.gz BNWMUTPGMNTYEX-HOCLYGCPSA-N 1 0 333.435 3.445 20 5 EGBDRO CC(C)c1ccc(C[N@@H+]2CC[C@@H](C(=O)N3CCCC3)C2)cc1[N+](=O)[O-] ZINC000377833691 458544623 /nfs/dbraw/zinc/54/46/23/458544623.db2.gz FSWAVZQYEVJRHW-MRXNPFEDSA-N 1 0 345.443 3.163 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000470170697 458620734 /nfs/dbraw/zinc/62/07/34/458620734.db2.gz ZFIGHXAIUJNREK-IFGOMPEGSA-N 1 0 329.444 3.414 20 5 EGBDRO CC(C)(c1nc(C2([NH3+])CCCCC2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000424343042 458622764 /nfs/dbraw/zinc/62/27/64/458622764.db2.gz IZSLQFVEQWDCNT-UHFFFAOYSA-N 1 0 330.388 3.422 20 5 EGBDRO C[C@@H](Nc1nc2sccn2c1[N+](=O)[O-])[C@@H](c1ccccc1)[NH+](C)C ZINC000439122020 458658070 /nfs/dbraw/zinc/65/80/70/458658070.db2.gz WMNSSFLUWOBDFG-YPMHNXCESA-N 1 0 345.428 3.407 20 5 EGBDRO C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494436217 458676889 /nfs/dbraw/zinc/67/68/89/458676889.db2.gz PQTPQFXGGPTEEM-BONVTDFDSA-N 1 0 343.349 3.186 20 5 EGBDRO Cc1cscc1C[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000494489503 458688490 /nfs/dbraw/zinc/68/84/90/458688490.db2.gz AUVPQHPXXQELQY-LBPRGKRZSA-N 1 0 333.413 3.472 20 5 EGBDRO C[N@@H+]1CCC[C@H]2CN(c3ccnc4c3cccc4[N+](=O)[O-])CC[C@@H]21 ZINC000432339634 458720377 /nfs/dbraw/zinc/72/03/77/458720377.db2.gz UGYMSAHSKIMJPZ-ZFWWWQNUSA-N 1 0 326.400 3.064 20 5 EGBDRO C[C@H]1C[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C(C)(C)C1 ZINC000472288478 458782043 /nfs/dbraw/zinc/78/20/43/458782043.db2.gz VZUNDVXFDDBPPS-SNVBAGLBSA-N 1 0 325.796 3.307 20 5 EGBDRO CC(C)(C)[N@@H+]1CCCN(c2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000530542941 458787161 /nfs/dbraw/zinc/78/71/61/458787161.db2.gz JWPPOQPOJRAGFG-UHFFFAOYSA-N 1 0 328.416 3.454 20 5 EGBDRO COC(=O)[C@H]1CC[C@@H]([NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000432996751 458824288 /nfs/dbraw/zinc/82/42/88/458824288.db2.gz HXOCZERXPBNVTF-HWWQOWPSSA-N 1 0 332.400 3.249 20 5 EGBDRO CC(C)(C)OC(=O)NC(C)(C)C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000495509751 458871304 /nfs/dbraw/zinc/87/13/04/458871304.db2.gz LVHGXUDOQWKNGF-UHFFFAOYSA-N 1 0 337.420 3.030 20 5 EGBDRO CC(C)C[C@@H]1CCCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000466375946 458896013 /nfs/dbraw/zinc/89/60/13/458896013.db2.gz AZAYDXRFHQQJMG-DOTOQJQBSA-N 1 0 336.432 3.235 20 5 EGBDRO COc1ccc(OCC[N@H+](C)Cc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000441182680 458896856 /nfs/dbraw/zinc/89/68/56/458896856.db2.gz JYRGWZMVIMHANX-UHFFFAOYSA-N 1 0 330.384 3.423 20 5 EGBDRO COC(=O)C[C@@H]1CC[C@@H]([NH2+]CCCCc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000474801177 458901833 /nfs/dbraw/zinc/90/18/33/458901833.db2.gz XBOBDAGOHDHZLV-QILLFSRXSA-N 1 0 348.443 3.485 20 5 EGBDRO COc1cccc(N2CC[NH+](C3CCC(C)CC3)CC2)c1[N+](=O)[O-] ZINC000475391509 458942102 /nfs/dbraw/zinc/94/21/02/458942102.db2.gz RGJRQPCCTGWMSD-UHFFFAOYSA-N 1 0 333.432 3.304 20 5 EGBDRO CC(C)C[C@@]1(CO)CCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000475693439 458960020 /nfs/dbraw/zinc/96/00/20/458960020.db2.gz DZKYWPDMXHFFRB-GOSISDBHSA-N 1 0 336.432 3.237 20 5 EGBDRO COC[C@@H](Cc1ccccc1)[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000475748702 458963374 /nfs/dbraw/zinc/96/33/74/458963374.db2.gz ODIRAVWJCYTKMO-QGZVFWFLSA-N 1 0 344.411 3.163 20 5 EGBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)CC(F)(F)F ZINC000468033779 458997778 /nfs/dbraw/zinc/99/77/78/458997778.db2.gz OHCYOWCWVUOJNE-ZJUUUORDSA-N 1 0 333.310 3.242 20 5 EGBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](C)CC(F)(F)F ZINC000468033776 458998041 /nfs/dbraw/zinc/99/80/41/458998041.db2.gz OHCYOWCWVUOJNE-NXEZZACHSA-N 1 0 333.310 3.242 20 5 EGBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000566947564 459025115 /nfs/dbraw/zinc/02/51/15/459025115.db2.gz TZIPGTRCUVGBBP-CQSZACIVSA-N 1 0 335.448 3.109 20 5 EGBDRO CC[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)[C@H]1CCNC1=O ZINC000442968853 459068151 /nfs/dbraw/zinc/06/81/51/459068151.db2.gz XFDBDXFHQRPBRI-HNNXBMFYSA-N 1 0 345.424 3.034 20 5 EGBDRO C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000496201187 459106174 /nfs/dbraw/zinc/10/61/74/459106174.db2.gz SWYNIPPEABOFCE-MNOVXSKESA-N 1 0 343.449 3.438 20 5 EGBDRO O=[N+]([O-])c1cc2ccccc2nc1NCCCCC[NH+]1CCCC1 ZINC000521073666 459118088 /nfs/dbraw/zinc/11/80/88/459118088.db2.gz DWXZOJAWYCCRNS-UHFFFAOYSA-N 1 0 328.416 3.243 20 5 EGBDRO O=[N+]([O-])c1cc2c(nc1N1CCC[C@@H](C3CC[NH2+]CC3)C1)CCCC2 ZINC000594693899 459132239 /nfs/dbraw/zinc/13/22/39/459132239.db2.gz XZEDOONBGWQCJI-MRXNPFEDSA-N 1 0 344.459 3.085 20 5 EGBDRO C[C@H]1[C@H]([NH+](C)C)CCN1c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000590568350 459151869 /nfs/dbraw/zinc/15/18/69/459151869.db2.gz DBZVYUOUFCYZOF-DZGCQCFKSA-N 1 0 326.400 3.186 20 5 EGBDRO C[C@@H]1CC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@H]2CCCC[C@H]12 ZINC000532918044 459160687 /nfs/dbraw/zinc/16/06/87/459160687.db2.gz VLPLMOOLWRCACS-OLMNPRSZSA-N 1 0 345.443 3.458 20 5 EGBDRO CC[C@@H](C)[C@H](C)[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CC1 ZINC000532963208 459166423 /nfs/dbraw/zinc/16/64/23/459166423.db2.gz VTSLOFAXYNMRGL-KGLIPLIRSA-N 1 0 345.443 3.383 20 5 EGBDRO COC[C@@H](C)Oc1ccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000594919626 459175914 /nfs/dbraw/zinc/17/59/14/459175914.db2.gz IAWYMXAJTBGDFY-OAHLLOKOSA-N 1 0 344.411 3.341 20 5 EGBDRO Cc1ccc(C[NH2+]Cc2cccnc2N2CCCC2)cc1[N+](=O)[O-] ZINC000594957946 459191508 /nfs/dbraw/zinc/19/15/08/459191508.db2.gz VQQOFLPHIHFDCT-UHFFFAOYSA-N 1 0 326.400 3.188 20 5 EGBDRO Cc1cc(N2C[C@@H](C)O[C@@H](C3CC3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000480381592 459195929 /nfs/dbraw/zinc/19/59/29/459195929.db2.gz GZVZBLVROJFKFQ-KZULUSFZSA-N 1 0 327.384 3.455 20 5 EGBDRO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000578452156 459203892 /nfs/dbraw/zinc/20/38/92/459203892.db2.gz BIJHQNVBZOMKLP-AWEZNQCLSA-N 1 0 343.358 3.195 20 5 EGBDRO Cc1ccc(C[N@H+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)nc1 ZINC000590754638 459204456 /nfs/dbraw/zinc/20/44/56/459204456.db2.gz MDVGJASNCFCETB-UHFFFAOYSA-N 1 0 342.399 3.067 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)NC1CC[NH+](CC2CC2)CC1 ZINC000595018906 459218109 /nfs/dbraw/zinc/21/81/09/459218109.db2.gz UNJLIKDSCIOFBD-ZDUSSCGKSA-N 1 0 333.432 3.128 20 5 EGBDRO C[C@H](CC1CCCCC1)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000578641014 459234565 /nfs/dbraw/zinc/23/45/65/459234565.db2.gz GPBULJWUZRJMIE-ZBFHGGJFSA-N 1 0 336.432 3.283 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](CO)CC1CC1 ZINC000595088141 459240833 /nfs/dbraw/zinc/24/08/33/459240833.db2.gz HKPGVCTZYJMUDI-BQFCYCMXSA-N 1 0 332.444 3.304 20 5 EGBDRO CO[C@H](C[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000595093377 459243446 /nfs/dbraw/zinc/24/34/46/459243446.db2.gz APAVRJFOSHDYRA-CXAGYDPISA-N 1 0 349.431 3.107 20 5 EGBDRO Cc1ccc(NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)cc1[N+](=O)[O-] ZINC000522608279 459250870 /nfs/dbraw/zinc/25/08/70/459250870.db2.gz SUCXMYNIMIDNHV-OAHLLOKOSA-N 1 0 336.436 3.391 20 5 EGBDRO COc1ccc2c(c1)CC[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])CC2 ZINC000595391150 459289446 /nfs/dbraw/zinc/28/94/46/459289446.db2.gz DXVNQXHOLMJYNN-UHFFFAOYSA-N 1 0 330.359 3.343 20 5 EGBDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000560019374 459292455 /nfs/dbraw/zinc/29/24/55/459292455.db2.gz AXCWVKCSASGBMQ-OAHLLOKOSA-N 1 0 347.459 3.205 20 5 EGBDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000523669235 459321371 /nfs/dbraw/zinc/32/13/71/459321371.db2.gz FSIHYCOHIXGNGR-CQSZACIVSA-N 1 0 337.395 3.118 20 5 EGBDRO O=[N+]([O-])c1ccc(CN2CCC([NH2+]Cc3ccccc3)CC2)cc1 ZINC000595509230 459328708 /nfs/dbraw/zinc/32/87/08/459328708.db2.gz DQBPSQUHVYWHFF-UHFFFAOYSA-N 1 0 325.412 3.349 20 5 EGBDRO Cc1ccc([C@H](C)NC(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000595543249 459339955 /nfs/dbraw/zinc/33/99/55/459339955.db2.gz IYUPNNDHUGGXAJ-DZGCQCFKSA-N 1 0 348.447 3.136 20 5 EGBDRO COC1CCN(CC[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000591347954 459358370 /nfs/dbraw/zinc/35/83/70/459358370.db2.gz JOFBAZDCHKIUGF-IBGZPJMESA-N 1 0 347.459 3.063 20 5 EGBDRO CCCCO[C@H]1C[C@@H]([NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])C1(C)C ZINC000569134067 459402542 /nfs/dbraw/zinc/40/25/42/459402542.db2.gz DXPHNPMVJKVKCH-CVEARBPZSA-N 1 0 349.431 3.107 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000595791132 459442146 /nfs/dbraw/zinc/44/21/46/459442146.db2.gz ZSLVIZJYODSNAI-PBHICJAKSA-N 1 0 334.416 3.385 20 5 EGBDRO CCC1(CC)CC[NH+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000485912542 459479440 /nfs/dbraw/zinc/47/94/40/459479440.db2.gz IXJSBWCDWVFPBS-UHFFFAOYSA-N 1 0 333.432 3.460 20 5 EGBDRO C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C[C@@H]1CC1(C)C ZINC000595908300 459483330 /nfs/dbraw/zinc/48/33/30/459483330.db2.gz GXGCLRDRIZRZCT-JTQLQIEISA-N 1 0 325.796 3.165 20 5 EGBDRO C[C@@H]1C[C@@H](CC[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000583139935 459489584 /nfs/dbraw/zinc/48/95/84/459489584.db2.gz GIDNUAVLOAGULB-QDMKHBRRSA-N 1 0 349.431 3.107 20 5 EGBDRO C[NH2+]C[C@@H](C)NC(=O)c1ccc(SCCC(C)C)c([N+](=O)[O-])c1 ZINC000595981539 459491050 /nfs/dbraw/zinc/49/10/50/459491050.db2.gz DXUHKYARGIGYQG-GFCCVEGCSA-N 1 0 339.461 3.071 20 5 EGBDRO O=c1[nH]ccc(NC[C@H](c2cccs2)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000596053087 459502753 /nfs/dbraw/zinc/50/27/53/459502753.db2.gz LTDGGEGTCMYBCJ-GFCCVEGCSA-N 1 0 334.401 3.006 20 5 EGBDRO C[C@@H](c1ccccc1)[NH+]1CCC(Nc2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596132419 459531178 /nfs/dbraw/zinc/53/11/78/459531178.db2.gz KOLHPPMTNYDDFH-ZDUSSCGKSA-N 1 0 342.399 3.333 20 5 EGBDRO CC(C)[C@@H]1CCC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000542280660 459543888 /nfs/dbraw/zinc/54/38/88/459543888.db2.gz MABYZXWXARILKN-CVEARBPZSA-N 1 0 336.432 3.093 20 5 EGBDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c(C)c1 ZINC000570010577 459545151 /nfs/dbraw/zinc/54/51/51/459545151.db2.gz SHAQPICIZNTOPC-IAGOWNOFSA-N 1 0 344.415 3.382 20 5 EGBDRO C[C@H](Nc1c(Cl)cncc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000596190666 459554755 /nfs/dbraw/zinc/55/47/55/459554755.db2.gz WCDFUDNCTDCHLG-RYUDHWBXSA-N 1 0 338.839 3.130 20 5 EGBDRO C[N@@H+]1CC[C@@]2(CCN(c3ccc(C(F)(F)F)c([N+](=O)[O-])c3)C2)C1 ZINC000596241551 459572717 /nfs/dbraw/zinc/57/27/17/459572717.db2.gz HGVXZJGHCRAASR-CQSZACIVSA-N 1 0 329.322 3.146 20 5 EGBDRO O=c1[nH]ccc(S[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000596275527 459581566 /nfs/dbraw/zinc/58/15/66/459581566.db2.gz UCOMDIPOGSDTAW-AWEZNQCLSA-N 1 0 345.424 3.452 20 5 EGBDRO C[C@H]1CCC[N@H+](CCNC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000498350135 459582144 /nfs/dbraw/zinc/58/21/44/459582144.db2.gz RAAYUQXYEOSKFB-AWEZNQCLSA-N 1 0 347.459 3.354 20 5 EGBDRO CC(C)[N@@H+]1CCCC[C@H]1Cn1ccc2c(cccc2[N+](=O)[O-])c1=O ZINC000596298669 459587414 /nfs/dbraw/zinc/58/74/14/459587414.db2.gz KKKAUXZKVPFXAZ-AWEZNQCLSA-N 1 0 329.400 3.173 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H](n2cc(C)cn2)C1 ZINC000583784495 459594716 /nfs/dbraw/zinc/59/47/16/459594716.db2.gz GEONXYGSTWELMU-PIJNTSGSSA-N 1 0 326.400 3.450 20 5 EGBDRO CC(C)(C)[N@@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000596336041 459600379 /nfs/dbraw/zinc/60/03/79/459600379.db2.gz LEMXNOQGRYHMSS-VIFPVBQESA-N 1 0 332.326 3.293 20 5 EGBDRO CC(C)c1ccc(C(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)cc1[N+](=O)[O-] ZINC000592568946 459632299 /nfs/dbraw/zinc/63/22/99/459632299.db2.gz RLSIRVDJHZDBIP-CQSZACIVSA-N 1 0 331.416 3.123 20 5 EGBDRO O=[N+]([O-])c1cccc(F)c1NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000596437099 459635261 /nfs/dbraw/zinc/63/52/61/459635261.db2.gz SBINKNWLHSQDDQ-UHFFFAOYSA-N 1 0 344.390 3.453 20 5 EGBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+](CC1CC1)C1CCCCC1 ZINC000543208062 459636061 /nfs/dbraw/zinc/63/60/61/459636061.db2.gz YRLWQHMOJSATLE-KRWDZBQOSA-N 1 0 348.443 3.379 20 5 EGBDRO O=[N+]([O-])c1cccc2ncnc(N[C@H]3CC[N@@H+](C4CCCCC4)C3)c21 ZINC000596480498 459651035 /nfs/dbraw/zinc/65/10/35/459651035.db2.gz QKUYNEMQHKUPSY-ZDUSSCGKSA-N 1 0 341.415 3.357 20 5 EGBDRO C[C@H](C[NH+]1CCC(C)CC1)Nc1ncnc2cccc([N+](=O)[O-])c21 ZINC000596487303 459654505 /nfs/dbraw/zinc/65/45/05/459654505.db2.gz GHWUDENKOQVKCL-CYBMUJFWSA-N 1 0 329.404 3.070 20 5 EGBDRO C[C@@H](Cc1ccsc1)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000543986696 459716789 /nfs/dbraw/zinc/71/67/89/459716789.db2.gz GTGSJXUHXBAYKZ-AWEZNQCLSA-N 1 0 331.441 3.410 20 5 EGBDRO COC(=O)[C@@H]1C[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@H]1C1CC1 ZINC000593129395 459782867 /nfs/dbraw/zinc/78/28/67/459782867.db2.gz HSFNKGKHIBJBFV-AFAVFJNCSA-N 1 0 332.400 3.095 20 5 EGBDRO C[C@H](C(=O)N1CCC[N@@H+](C2CCCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000574856335 459882780 /nfs/dbraw/zinc/88/27/80/459882780.db2.gz NAWZVKUJSMRENX-HNNXBMFYSA-N 1 0 345.443 3.175 20 5 EGBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000588064371 459907836 /nfs/dbraw/zinc/90/78/36/459907836.db2.gz ORHJAFXHPIRMQB-AWEZNQCLSA-N 1 0 347.440 3.414 20 5 EGBDRO C[N@@H+]1CC[C@H](CNc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])C1 ZINC000609156838 459914779 /nfs/dbraw/zinc/91/47/79/459914779.db2.gz CGJFVKJQCQELHD-CQSZACIVSA-N 1 0 339.395 3.189 20 5 EGBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCCO[C@H](c3ccccc3)C2)cc1 ZINC000609233703 459929193 /nfs/dbraw/zinc/92/91/93/459929193.db2.gz GYQFPBLDHCOOLW-IBGZPJMESA-N 1 0 342.395 3.437 20 5 EGBDRO C[C@@H](O)C[C@H]1CCC[N@@H+]1Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602474452 459956127 /nfs/dbraw/zinc/95/61/27/459956127.db2.gz OYFBHFZIIMVTIF-ZWNOBZJWSA-N 1 0 332.322 3.349 20 5 EGBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNCc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602515471 459978286 /nfs/dbraw/zinc/97/82/86/459978286.db2.gz WALNIIBDOGWWEU-ZIAGYGMSSA-N 1 0 346.431 3.194 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]Cc3ccc(F)c(F)c3)CC2)cn1 ZINC000602522782 459981613 /nfs/dbraw/zinc/98/16/13/459981613.db2.gz WXNUFEYUYJCDFZ-UHFFFAOYSA-N 1 0 348.353 3.027 20 5 EGBDRO CCN(CC[NH3+])C(=O)c1ccc(SCCC(C)C)c([N+](=O)[O-])c1 ZINC000602533776 459987522 /nfs/dbraw/zinc/98/75/22/459987522.db2.gz CPFSOKBCDXUNOZ-UHFFFAOYSA-N 1 0 339.461 3.154 20 5 EGBDRO O=[N+]([O-])c1sc(C[NH2+]C[C@@H]2CCC[C@H](O)C2)cc1Br ZINC000602554298 459994376 /nfs/dbraw/zinc/99/43/76/459994376.db2.gz FPWFVOCYXIGZTE-BDAKNGLRSA-N 1 0 349.250 3.060 20 5 EGBDRO C[C@@H]1C[C@H](NCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000602563389 459999038 /nfs/dbraw/zinc/99/90/38/459999038.db2.gz ZNFCUYJYFDVAOK-ZWNOBZJWSA-N 1 0 331.338 3.186 20 5 EGBDRO CC[C@H]([NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)[C@@H]1CCCO1 ZINC000602582283 460009305 /nfs/dbraw/zinc/00/93/05/460009305.db2.gz VGOSTNWUDMLPAX-QWRGUYRKSA-N 1 0 349.250 3.466 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2ccnc(N3CCCCC3)c2)cc1 ZINC000602587328 460013020 /nfs/dbraw/zinc/01/30/20/460013020.db2.gz ZNXUWHQSQINJGA-UHFFFAOYSA-N 1 0 340.427 3.312 20 5 EGBDRO CC(C)(C)OCc1cc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)no1 ZINC000602621141 460026485 /nfs/dbraw/zinc/02/64/85/460026485.db2.gz AHVYFHKRTVSMOD-UHFFFAOYSA-N 1 0 333.388 3.230 20 5 EGBDRO C[C@@H]1COCC[C@@H]1C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602655214 460045224 /nfs/dbraw/zinc/04/52/24/460045224.db2.gz NKGLAIXJUPZDAF-GHMZBOCLSA-N 1 0 332.322 3.376 20 5 EGBDRO CCOC(=O)[C@@]1(C(C)C)CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000618546664 460054338 /nfs/dbraw/zinc/05/43/38/460054338.db2.gz CQFRNNDNBFWNTA-KRWDZBQOSA-N 1 0 338.379 3.145 20 5 EGBDRO Cc1cnc(OC2CC[NH+]([C@H](C)c3ccccc3[N+](=O)[O-])CC2)nc1 ZINC000594020372 460058786 /nfs/dbraw/zinc/05/87/86/460058786.db2.gz GGWMUJKDTPQTSQ-CQSZACIVSA-N 1 0 342.399 3.298 20 5 EGBDRO C[C@@H]1C[C@H](C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)[C@@H](C)O1 ZINC000602690780 460067124 /nfs/dbraw/zinc/06/71/24/460067124.db2.gz OLXRWBDXTSIWLW-IWSPIJDZSA-N 1 0 349.250 3.322 20 5 EGBDRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000597860516 460082148 /nfs/dbraw/zinc/08/21/48/460082148.db2.gz NPCVJUQUKBCBTE-CQSZACIVSA-N 1 0 347.459 3.109 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(c2ccccc2C)CC1 ZINC000602774230 460118064 /nfs/dbraw/zinc/11/80/64/460118064.db2.gz CJVCJPPDXFZBCK-UHFFFAOYSA-N 1 0 328.416 3.288 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594197398 460144986 /nfs/dbraw/zinc/14/49/86/460144986.db2.gz NOEHHKRNWXZSEX-HZPDHXFCSA-N 1 0 345.443 3.267 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]C2CCN(C[C@H]3CCCO3)CC2)cc1[N+](=O)[O-] ZINC000610818831 460241939 /nfs/dbraw/zinc/24/19/39/460241939.db2.gz GQQNVAAQIHRARV-MAUKXSAKSA-N 1 0 347.459 3.197 20 5 EGBDRO C[C@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599589379 460282916 /nfs/dbraw/zinc/28/29/16/460282916.db2.gz SAUWXWCWCNCZIF-YOEHRIQHSA-N 1 0 348.443 3.437 20 5 EGBDRO COc1ccc(C[C@](C)([NH3+])CNc2ccc(C)cc2[N+](=O)[O-])cc1 ZINC000611100895 460289941 /nfs/dbraw/zinc/28/99/41/460289941.db2.gz LLOQRUGXMMKAJG-SFHVURJKSA-N 1 0 329.400 3.284 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)cnc1N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccc1 ZINC000603415869 460301277 /nfs/dbraw/zinc/30/12/77/460301277.db2.gz MRBSWHNXHIJJMQ-GJZGRUSLSA-N 1 0 344.802 3.106 20 5 EGBDRO O=C(CC[NH+]1CC(Cc2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000611178214 460301518 /nfs/dbraw/zinc/30/15/18/460301518.db2.gz ZSLFQOJHRUCIMO-UHFFFAOYSA-N 1 0 339.395 3.098 20 5 EGBDRO Cc1c(CN2CC[NH+](CCc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000603840015 460346000 /nfs/dbraw/zinc/34/60/00/460346000.db2.gz NYTLXDPTMOHBLJ-UHFFFAOYSA-N 1 0 339.439 3.264 20 5 EGBDRO C[C@@H](CNc1ccc2cc([N+](=O)[O-])ccc2n1)[N@@H+]1CCC[C@@H](C)C1 ZINC000603858018 460349812 /nfs/dbraw/zinc/34/98/12/460349812.db2.gz ZFQKBAWLMZMNDU-KGLIPLIRSA-N 1 0 328.416 3.097 20 5 EGBDRO C[N@@H+]1CC[C@@H]2CCN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)[C@H]2C1 ZINC000611510226 460382984 /nfs/dbraw/zinc/38/29/84/460382984.db2.gz OWLLYWJGXCUVCW-PBHICJAKSA-N 1 0 338.411 3.187 20 5 EGBDRO O=C(Nc1ccccc1Nc1cc[nH+]cc1)c1csc([N+](=O)[O-])c1 ZINC000619582059 460390222 /nfs/dbraw/zinc/39/02/22/460390222.db2.gz VRZVLCGQNNVBCI-UHFFFAOYSA-N 1 0 340.364 3.469 20 5 EGBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)Nc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611708255 460434984 /nfs/dbraw/zinc/43/49/84/460434984.db2.gz LSDHCODUXWNTLN-OLZOCXBDSA-N 1 0 329.404 3.070 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](C)c1ccsc1 ZINC000619782877 460442797 /nfs/dbraw/zinc/44/27/97/460442797.db2.gz MYGRZTMDUWXZNV-LLVKDONJSA-N 1 0 349.412 3.344 20 5 EGBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]Cc2nc(C3CC3)cs2)n1 ZINC000616008100 460449488 /nfs/dbraw/zinc/44/94/88/460449488.db2.gz FSAUBHQDRCOPLM-JSGCOSHPSA-N 1 0 347.444 3.399 20 5 EGBDRO COc1ccc(CN(C)c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)cn1 ZINC000611929767 460490754 /nfs/dbraw/zinc/49/07/54/460490754.db2.gz QGYYDZABVUHIRU-UHFFFAOYSA-N 1 0 338.367 3.491 20 5 EGBDRO Cc1ccncc1[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000611938953 460492207 /nfs/dbraw/zinc/49/22/07/460492207.db2.gz LYSBQGLNCYBIIP-KGLIPLIRSA-N 1 0 342.399 3.284 20 5 EGBDRO C[C@@H]([NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H](O)C(F)(F)F ZINC000601151296 460733988 /nfs/dbraw/zinc/73/39/88/460733988.db2.gz VPUDJZYOTHBQTB-YMTOWFKASA-N 1 0 344.289 3.256 20 5 EGBDRO C[N@@H+]1CCC[C@]2(CCN(c3ccnc4ccc([N+](=O)[O-])cc43)C2)C1 ZINC000601169679 460740365 /nfs/dbraw/zinc/74/03/65/460740365.db2.gz PCIZDFPQFRFIGZ-SFHVURJKSA-N 1 0 326.400 3.065 20 5 EGBDRO CCOc1cc(C[N@@H+]2CCC[C@@H](n3ccnc3)C2)ccc1[N+](=O)[O-] ZINC000617196452 460772822 /nfs/dbraw/zinc/77/28/22/460772822.db2.gz LCQPORPULLNLIC-OAHLLOKOSA-N 1 0 330.388 3.027 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000601558215 460831948 /nfs/dbraw/zinc/83/19/48/460831948.db2.gz DCPOFTMBNZPAGM-CYBMUJFWSA-N 1 0 334.420 3.111 20 5 EGBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000613234147 460877366 /nfs/dbraw/zinc/87/73/66/460877366.db2.gz BWPRGNLPBATEGP-HOCLYGCPSA-N 1 0 347.459 3.010 20 5 EGBDRO Cc1ncc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])s1 ZINC000601936299 460951428 /nfs/dbraw/zinc/95/14/28/460951428.db2.gz RWBFHAGDPFYLLE-NXEZZACHSA-N 1 0 334.401 3.038 20 5 EGBDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000617715342 460960274 /nfs/dbraw/zinc/96/02/74/460960274.db2.gz FUZFPXXMSGWRQI-MAUKXSAKSA-N 1 0 347.459 3.469 20 5 EGBDRO O=C(CC[NH+]1CC(c2ccccc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000601962904 460964374 /nfs/dbraw/zinc/96/43/74/460964374.db2.gz GEURONVUPOGVSI-UHFFFAOYSA-N 1 0 325.368 3.023 20 5 EGBDRO C[C@H]([NH2+]C1CCN(Cc2ccncc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000178647350 533811730 /nfs/dbraw/zinc/81/17/30/533811730.db2.gz QXBXJADPZVYKNC-HNNXBMFYSA-N 1 0 340.427 3.305 20 5 EGBDRO C[C@@H](O)[C@](C)(C[NH2+]Cc1csc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000191709221 533863435 /nfs/dbraw/zinc/86/34/35/533863435.db2.gz DWNBHCZDPGTIFG-DYVFJYSZSA-N 1 0 334.441 3.376 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000191329783 534055787 /nfs/dbraw/zinc/05/57/87/534055787.db2.gz NATYPLXUFFEWQD-UHFFFAOYSA-N 1 0 348.447 3.454 20 5 EGBDRO COc1ccc(NC(=O)CC[NH2+][C@H]2CCCC2(C)C)c([N+](=O)[O-])c1 ZINC000191290718 534070377 /nfs/dbraw/zinc/07/03/77/534070377.db2.gz KZKLHHYMNPQFNH-HNNXBMFYSA-N 1 0 335.404 3.100 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@H](O)Cc1ccccc1)C1CC1 ZINC000131990348 534887520 /nfs/dbraw/zinc/88/75/20/534887520.db2.gz SONKVVNJRVEMDM-MOPGFXCFSA-N 1 0 340.423 3.109 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+][C@@H]1c2ccccc2C[C@@H]1O)C1CC1 ZINC000178569253 534887914 /nfs/dbraw/zinc/88/79/14/534887914.db2.gz HINMKLVXMMOXSN-YZGWKJHDSA-N 1 0 338.407 3.164 20 5 EGBDRO CC(=O)Nc1ccc(CC[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000178654023 526969952 /nfs/dbraw/zinc/96/99/52/526969952.db2.gz JPYLELPEYQNYDM-CYBMUJFWSA-N 1 0 327.384 3.447 20 5 EGBDRO CC(C)CC(=O)N1CCC([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000173361134 527656551 /nfs/dbraw/zinc/65/65/51/527656551.db2.gz BWSGEFDQXGLEBG-CQSZACIVSA-N 1 0 333.432 3.283 20 5 EGBDRO C[NH+]1CC2(C1)CCN(C(=O)c1cc3ccccc3c3cccnc13)C2 ZINC000684845879 550375993 /nfs/dbraw/zinc/37/59/93/550375993.db2.gz VEDAYGSDCKQIDM-UHFFFAOYSA-N 1 0 331.419 3.166 20 5 EGBDRO C[C@](O)(C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000734004053 575421484 /nfs/dbraw/zinc/42/14/84/575421484.db2.gz JRFIXZNQZPCDBC-SUZKBHRPSA-N 1 0 348.349 3.384 20 5 EGBDRO COC1CCC([N@H+](C)Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)CC1 ZINC000734476618 575497479 /nfs/dbraw/zinc/49/74/79/575497479.db2.gz GSIIVJIYXKFKJW-UHFFFAOYSA-N 1 0 344.415 3.305 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]CCn1cnc2ccccc21 ZINC000734835449 575563394 /nfs/dbraw/zinc/56/33/94/575563394.db2.gz WJASVEUXEFYLJE-UHFFFAOYSA-N 1 0 330.775 3.388 20 5 EGBDRO O=[N+]([O-])c1cnn(C[N@H+](CCc2ccc(Cl)cc2)CC2CC2)c1 ZINC000735074610 575597734 /nfs/dbraw/zinc/59/77/34/575597734.db2.gz QYJRNPAALSKJFE-UHFFFAOYSA-N 1 0 334.807 3.357 20 5 EGBDRO Cc1c(COC(=O)[C@H](C(C)C)[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000741012902 576645859 /nfs/dbraw/zinc/64/58/59/576645859.db2.gz WSIBKGXJUHUWIN-KRWDZBQOSA-N 1 0 334.416 3.457 20 5 EGBDRO CC(C)[C@@H](C(=O)OCc1ccc(Cl)cc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000741014305 576646110 /nfs/dbraw/zinc/64/61/10/576646110.db2.gz LXBXKPAMTXIHIQ-HNNXBMFYSA-N 1 0 340.807 3.412 20 5 EGBDRO C[NH+](C)CC1CCN(c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000742393913 576778956 /nfs/dbraw/zinc/77/89/56/576778956.db2.gz UZPSHBGCFJTVBW-UHFFFAOYSA-N 1 0 342.237 3.135 20 5 EGBDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1ccc(-c2nn[nH]n2)cc1 ZINC000820410015 599366744 /nfs/dbraw/zinc/36/67/44/599366744.db2.gz BYXDDLZQYLKAGR-NEPJUHHUSA-N 1 0 338.371 3.187 20 5 EGBDRO Cc1c([C@H](C)[NH2+]C[C@]2(O)CCc3ccccc32)cccc1[N+](=O)[O-] ZINC000090779913 1292805828 /nfs/dbraw/zinc/80/58/28/1292805828.db2.gz QRJVFGMIJXXOBH-IFXJQAMLSA-N 1 0 326.396 3.388 20 5 EGBDRO Cc1ccc(C[N@@H+](C)[C@H](C)CNC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000093360152 1292918975 /nfs/dbraw/zinc/91/89/75/1292918975.db2.gz DAHXHNWOYXFQSY-CYBMUJFWSA-N 1 0 337.420 3.248 20 5 EGBDRO CCCN(CCC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000832827018 1293049387 /nfs/dbraw/zinc/04/93/87/1293049387.db2.gz IXECWFMTSCJOPX-UHFFFAOYSA-N 1 0 341.839 3.361 20 5 EGBDRO [NH3+]CCCN(CC1CCCC1)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000834771513 1293144883 /nfs/dbraw/zinc/14/48/83/1293144883.db2.gz WDCNHEFOYGVPRC-UHFFFAOYSA-N 1 0 339.823 3.229 20 5 EGBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1OC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000835481790 1293300665 /nfs/dbraw/zinc/30/06/65/1293300665.db2.gz QKZUVXBZPQZATR-NVXWUHKLSA-N 1 0 348.443 3.276 20 5 EGBDRO CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000123203071 1293436552 /nfs/dbraw/zinc/43/65/52/1293436552.db2.gz WRBZXIGJFBHFLK-HOTGVXAUSA-N 1 0 349.431 3.173 20 5 EGBDRO C[NH+](C)CC1(CNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CCCC1 ZINC000125716400 1293515131 /nfs/dbraw/zinc/51/51/31/1293515131.db2.gz WTOOJGSOSFQSFP-UHFFFAOYSA-N 1 0 339.823 3.100 20 5 EGBDRO Cc1ncsc1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000132488626 1293720580 /nfs/dbraw/zinc/72/05/80/1293720580.db2.gz JRAHUCPZCSCAFB-UHFFFAOYSA-N 1 0 332.429 3.118 20 5 EGBDRO CC[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(OC)cc1 ZINC000136820109 1293822602 /nfs/dbraw/zinc/82/26/02/1293822602.db2.gz LCKVUAZZXIMXLY-MSOLQXFVSA-N 1 0 330.384 3.378 20 5 EGBDRO COCC[N@@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)CC(C)C ZINC000157801577 1294187649 /nfs/dbraw/zinc/18/76/49/1294187649.db2.gz WBDICXTVWLYDEC-UHFFFAOYSA-N 1 0 345.237 3.462 20 5 EGBDRO C[C@@H]1CCC[C@H]([N@H+](C)Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C1 ZINC000172894783 1294448449 /nfs/dbraw/zinc/44/84/49/1294448449.db2.gz XNBLSASWSFRHGQ-HIFRSBDPSA-N 1 0 329.404 3.321 20 5 EGBDRO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1cccc([N+](=O)[O-])c1 ZINC000173405114 1294461076 /nfs/dbraw/zinc/46/10/76/1294461076.db2.gz PLHXRYWNVHRLGL-GFCCVEGCSA-N 1 0 331.328 3.233 20 5 EGBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000173920376 1294473474 /nfs/dbraw/zinc/47/34/74/1294473474.db2.gz ZHLOTKWJPMCZHO-HNNXBMFYSA-N 1 0 335.404 3.036 20 5 EGBDRO O=[N+]([O-])c1ccc(F)cc1CN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000179178783 1294777300 /nfs/dbraw/zinc/77/73/00/1294777300.db2.gz KEBHSPLEAFBSSB-DYVFJYSZSA-N 1 0 333.407 3.183 20 5 EGBDRO O=[N+]([O-])c1ccc(Cl)cc1-c1nc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)no1 ZINC000871792601 1296535232 /nfs/dbraw/zinc/53/52/32/1296535232.db2.gz FQLMMQIZVDJOHR-UQPYNNQESA-N 1 0 334.763 3.296 20 5 EGBDRO O=[N+]([O-])c1ccc(Cc2nc(C3C[C@H]4CC[C@@H](C3)[NH2+]4)no2)c(Cl)c1 ZINC000871796534 1296537666 /nfs/dbraw/zinc/53/76/66/1296537666.db2.gz YRKZCPQISINBLN-YOGCLGLASA-N 1 0 348.790 3.220 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000872036027 1296687469 /nfs/dbraw/zinc/68/74/69/1296687469.db2.gz PEWRLZFUXGLERT-OCCSQVGLSA-N 1 0 335.473 3.452 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCc1cnc(C)cn1 ZINC000872077266 1296721115 /nfs/dbraw/zinc/72/11/15/1296721115.db2.gz DOXXJHPOIOOUCG-LBPRGKRZSA-N 1 0 332.429 3.308 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1C[C@@H]2CCCCN2C1=O ZINC000872079176 1296721161 /nfs/dbraw/zinc/72/11/61/1296721161.db2.gz VXGRURXPCNJCPK-HUBLWGQQSA-N 1 0 349.456 3.121 20 5 EGBDRO CCOc1ccc(NC(=O)C[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000873023593 1297230543 /nfs/dbraw/zinc/23/05/43/1297230543.db2.gz ONLFCJIZFNKOIQ-UHFFFAOYSA-N 1 0 343.383 3.030 20 5 EGBDRO Cc1c(C[NH2+]Cc2cccc(N3CCOCC3)c2)cccc1[N+](=O)[O-] ZINC000873128127 1297285478 /nfs/dbraw/zinc/28/54/78/1297285478.db2.gz CVVYORBPBXQCAO-UHFFFAOYSA-N 1 0 341.411 3.030 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H](CO)c1ccc(F)cc1 ZINC000873132137 1297288599 /nfs/dbraw/zinc/28/85/99/1297288599.db2.gz IRWGGHWHHAIYQF-HNNXBMFYSA-N 1 0 332.375 3.216 20 5 EGBDRO COc1ccc([C@H](CO)C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)cc1 ZINC000873131755 1297289236 /nfs/dbraw/zinc/28/92/36/1297289236.db2.gz ZMOVVWVYURISNG-INIZCTEOSA-N 1 0 344.411 3.086 20 5 EGBDRO Cc1c(C[NH2+]C[C@@H](O)c2cc(F)c(F)c(F)c2)cccc1[N+](=O)[O-] ZINC000873139439 1297293749 /nfs/dbraw/zinc/29/37/49/1297293749.db2.gz BGNGASLBUBPOIQ-OAHLLOKOSA-N 1 0 340.301 3.144 20 5 EGBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H](O)Cc2cccc(Cl)c2)cs1 ZINC000873179117 1297329702 /nfs/dbraw/zinc/32/97/02/1297329702.db2.gz CXFQHUBOJKOJPD-ZDUSSCGKSA-N 1 0 326.805 3.003 20 5 EGBDRO CC[C@@H]([NH2+]C1CN(C(=O)OC(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000379783544 1297541070 /nfs/dbraw/zinc/54/10/70/1297541070.db2.gz FGARCQXRPHPXSP-OAHLLOKOSA-N 1 0 335.404 3.255 20 5 EGBDRO O=[N+]([O-])c1cc(F)c(C[NH2+][C@H]2CCc3ccccc3OC2)c(F)c1 ZINC000510588832 1297965692 /nfs/dbraw/zinc/96/56/92/1297965692.db2.gz CTZPWQPEDDLUHC-LBPRGKRZSA-N 1 0 334.322 3.356 20 5 EGBDRO CC(C)(C)OC(=O)N1CC[C@@](C)([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000701917520 1298191455 /nfs/dbraw/zinc/19/14/55/1298191455.db2.gz CCNAQAYXPPHZGW-QGZVFWFLSA-N 1 0 335.404 3.084 20 5 EGBDRO CCC1(C)CC[NH+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000725779284 1298357281 /nfs/dbraw/zinc/35/72/81/1298357281.db2.gz WYXSSDDHLXWRMB-UHFFFAOYSA-N 1 0 329.404 3.323 20 5 EGBDRO C[C@H]([NH2+]C[C@]1(O)CCCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000746046580 1298516657 /nfs/dbraw/zinc/51/66/57/1298516657.db2.gz AIMOPQCSURYJBA-IFXJQAMLSA-N 1 0 326.396 3.470 20 5 EGBDRO Cn1cc(C[C@@H]2CC[N@H+](Cc3cc(Cl)ccc3[N+](=O)[O-])C2)cn1 ZINC000746679613 1298640009 /nfs/dbraw/zinc/64/00/09/1298640009.db2.gz QDTLLCQIEVNYER-LBPRGKRZSA-N 1 0 334.807 3.046 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CCC(C(=O)N2CCCC2)CC1 ZINC000876555407 1298823898 /nfs/dbraw/zinc/82/38/98/1298823898.db2.gz XIUNDIOXELLCNU-UHFFFAOYSA-N 1 0 345.443 3.046 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@H](Cc2cnn(C)c2)C1 ZINC000876797707 1298994148 /nfs/dbraw/zinc/99/41/48/1298994148.db2.gz SZXHOGXUKGMTSX-OAHLLOKOSA-N 1 0 328.416 3.010 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000876807794 1299002227 /nfs/dbraw/zinc/00/22/27/1299002227.db2.gz KIBHQWPRZGGIHP-RDTXWAMCSA-N 1 0 328.416 3.491 20 5 EGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]CCOc1cccnc1 ZINC000877038003 1299126753 /nfs/dbraw/zinc/12/67/53/1299126753.db2.gz FZMKFMFOTZGSKG-UHFFFAOYSA-N 1 0 341.289 3.177 20 5 EGBDRO C[N@H+](CCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000749103139 1299142113 /nfs/dbraw/zinc/14/21/13/1299142113.db2.gz ZEMHPJVHVFAULE-UHFFFAOYSA-N 1 0 348.334 3.186 20 5 EGBDRO Cc1c(C(=O)Nc2ccc(C[NH+](C)C)c(F)c2)cccc1[N+](=O)[O-] ZINC000749156205 1299156608 /nfs/dbraw/zinc/15/66/08/1299156608.db2.gz YPXQTCWIYKCPBW-UHFFFAOYSA-N 1 0 331.347 3.356 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]Cc2ccc(C(F)(F)F)cc2)c1 ZINC000749661709 1299252092 /nfs/dbraw/zinc/25/20/92/1299252092.db2.gz HSDVKTVYNHLVDL-OAHLLOKOSA-N 1 0 340.301 3.437 20 5 EGBDRO C[C@@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)COCc1ccccc1 ZINC000749684290 1299255473 /nfs/dbraw/zinc/25/54/73/1299255473.db2.gz AVMQOTSXDTTYOT-HNAYVOBHSA-N 1 0 344.411 3.071 20 5 EGBDRO CC[N@@H+](Cc1ccc(C)cc1)Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC000749944369 1299306642 /nfs/dbraw/zinc/30/66/42/1299306642.db2.gz KGRNPDQGJDFEMI-UHFFFAOYSA-N 1 0 339.399 3.436 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+]CCn2ccc(C(F)(F)F)n2)cc1Cl ZINC000877805800 1299567185 /nfs/dbraw/zinc/56/71/85/1299567185.db2.gz LXTNRDNZSKGPGZ-UHFFFAOYSA-N 1 0 348.712 3.253 20 5 EGBDRO COC(=O)CC[C@H]1CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000877822644 1299588953 /nfs/dbraw/zinc/58/89/53/1299588953.db2.gz SYFYRUIIBDQDLO-SBJJXXPASA-N 1 0 332.400 3.273 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[N@@H+](C[C@@H](O)CC1(O)CCCCC1)C1CC1 ZINC000878285526 1299891421 /nfs/dbraw/zinc/89/14/21/1299891421.db2.gz BQJPNNDMFMMMRZ-KRWDZBQOSA-N 1 0 348.443 3.005 20 5 EGBDRO O=[N+]([O-])c1ccc(OCCC[NH2+][C@@H](CCO)c2cccs2)cc1 ZINC000754381678 1300133725 /nfs/dbraw/zinc/13/37/25/1300133725.db2.gz DOFSXYCOYPDTNJ-HNNXBMFYSA-N 1 0 336.413 3.139 20 5 EGBDRO Cc1c(C[N@@H+]2CC[C@H](OCc3ccccn3)C2)cccc1[N+](=O)[O-] ZINC000761195582 1301417904 /nfs/dbraw/zinc/41/79/04/1301417904.db2.gz ZIPNGOVXHHVMHS-KRWDZBQOSA-N 1 0 327.384 3.089 20 5 EGBDRO C[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)N1CCC(C)CC1 ZINC000761524160 1301489892 /nfs/dbraw/zinc/48/98/92/1301489892.db2.gz WMONKRBPBGENHJ-CYBMUJFWSA-N 1 0 325.840 3.458 20 5 EGBDRO C[C@H]1CCN(c2ccnc(F)c2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000882037898 1301799906 /nfs/dbraw/zinc/79/99/06/1301799906.db2.gz PTFNDPIVHGVGHC-AWEZNQCLSA-N 1 0 344.390 3.230 20 5 EGBDRO COCC[N@H+](Cn1nc(C)c2cc([N+](=O)[O-])ccc21)C1CCCC1 ZINC000764947603 1302173930 /nfs/dbraw/zinc/17/39/30/1302173930.db2.gz QWFLOUOZSWAYKP-UHFFFAOYSA-N 1 0 332.404 3.101 20 5 EGBDRO C[NH+](C)CC1CCN(c2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000765470437 1302268635 /nfs/dbraw/zinc/26/86/35/1302268635.db2.gz SEQYXQFGGWJZCU-UHFFFAOYSA-N 1 0 342.237 3.135 20 5 EGBDRO CC[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1OC ZINC000765850269 1302339547 /nfs/dbraw/zinc/33/95/47/1302339547.db2.gz WROSCSRRENJMSE-DLBZAZTESA-N 1 0 330.384 3.378 20 5 EGBDRO CC(C)n1ccc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000766091553 1302386132 /nfs/dbraw/zinc/38/61/32/1302386132.db2.gz BUATVOLTOOWAKU-UHFFFAOYSA-N 1 0 343.431 3.131 20 5 EGBDRO CC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000769300030 1303087938 /nfs/dbraw/zinc/08/79/38/1303087938.db2.gz UTTYJQCBROVDJJ-OAHLLOKOSA-N 1 0 349.431 3.426 20 5 EGBDRO COc1ccc(C[C@H]2CCC[N@H+](Cc3cccnc3[N+](=O)[O-])C2)cc1 ZINC000886021385 1303321467 /nfs/dbraw/zinc/32/14/67/1303321467.db2.gz VGUHRMLSUOTSSI-MRXNPFEDSA-N 1 0 341.411 3.453 20 5 EGBDRO Cc1nc(C2CC[NH+](CCOc3ccccc3[N+](=O)[O-])CC2)[nH]c1C ZINC000886668623 1303549337 /nfs/dbraw/zinc/54/93/37/1303549337.db2.gz WIUKLIJSAVFMGH-UHFFFAOYSA-N 1 0 344.415 3.193 20 5 EGBDRO COc1ccc([C@@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000774408853 1303806243 /nfs/dbraw/zinc/80/62/43/1303806243.db2.gz JLTISEKOMFICNI-MOPGFXCFSA-N 1 0 342.395 3.378 20 5 EGBDRO C[C@H]1CCCC[N@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000775731934 1304024507 /nfs/dbraw/zinc/02/45/07/1304024507.db2.gz LSHWVJWKCLKRLS-NSHDSACASA-N 1 0 325.796 3.309 20 5 EGBDRO CC[C@H]1C[N@H+](C)CCN1C(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C ZINC000888280887 1304097896 /nfs/dbraw/zinc/09/78/96/1304097896.db2.gz FSTNPUVKVWKGDE-NSHDSACASA-N 1 0 340.811 3.115 20 5 EGBDRO CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C12CCCCC2 ZINC000776157910 1304103417 /nfs/dbraw/zinc/10/34/17/1304103417.db2.gz ULNXCSLBOPBOOL-KZNAEPCWSA-N 1 0 348.443 3.346 20 5 EGBDRO COc1ccccc1[C@H]1CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776584310 1304175459 /nfs/dbraw/zinc/17/54/59/1304175459.db2.gz KWXBIFSVHHOJOV-MAUKXSAKSA-N 1 0 342.395 3.126 20 5 EGBDRO COc1ccccc1[C@@H]1CCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776581832 1304175471 /nfs/dbraw/zinc/17/54/71/1304175471.db2.gz MXDWPELDJLJYNF-ZWKOTPCHSA-N 1 0 342.395 3.474 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CC[C@@H](Cc3ccccc3)C2)cc1 ZINC000776583903 1304175527 /nfs/dbraw/zinc/17/55/27/1304175527.db2.gz GYXCYPKYIVJIMO-LPHOPBHVSA-N 1 0 326.396 3.193 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@H]2CCCOc3cc(F)ccc32)cc1 ZINC000781893986 1304887695 /nfs/dbraw/zinc/88/76/95/1304887695.db2.gz BAZHCEBKKYJOSW-IRXDYDNUSA-N 1 0 346.358 3.271 20 5 EGBDRO C[NH+](C)CCc1ccccc1NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000782938656 1305025778 /nfs/dbraw/zinc/02/57/78/1305025778.db2.gz LHNXZCPVPBUQOY-UHFFFAOYSA-N 1 0 331.347 3.090 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](O)c2c(F)cccc2F)cc1Cl ZINC000783636074 1305121382 /nfs/dbraw/zinc/12/13/82/1305121382.db2.gz LQHQBSHHJALRCI-AWEZNQCLSA-N 1 0 342.729 3.350 20 5 EGBDRO CC[N@H+](CCc1cccs1)Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000891692702 1305136911 /nfs/dbraw/zinc/13/69/11/1305136911.db2.gz RAJSDJUWGDEJJR-UHFFFAOYSA-N 1 0 336.413 3.435 20 5 EGBDRO CC(C)(C)[C@@H]1CC[N@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000784030770 1305179871 /nfs/dbraw/zinc/17/98/71/1305179871.db2.gz ICPWUIWIFVKLEV-CQSZACIVSA-N 1 0 329.404 3.179 20 5 EGBDRO Cc1c(NC(=O)CC[NH2+]C(C)(C)C2CCOCC2)cccc1[N+](=O)[O-] ZINC000786170700 1305528854 /nfs/dbraw/zinc/52/88/54/1305528854.db2.gz FTPUXJIJEZUICG-UHFFFAOYSA-N 1 0 349.431 3.027 20 5 EGBDRO COc1cccc2c1CC[C@H]2[NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000893132324 1305725193 /nfs/dbraw/zinc/72/51/93/1305725193.db2.gz NAMMVYLQRTUBBN-CQSZACIVSA-N 1 0 344.367 3.095 20 5 EGBDRO CCCN(CCC[NH+](C)C)C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000787405885 1305741767 /nfs/dbraw/zinc/74/17/67/1305741767.db2.gz GDMPNUCCAGGGDG-UHFFFAOYSA-N 1 0 342.827 3.444 20 5 EGBDRO CSC1(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCC1 ZINC000788607062 1305981016 /nfs/dbraw/zinc/98/10/16/1305981016.db2.gz TWQFVISWGRLWHY-UHFFFAOYSA-N 1 0 335.473 3.439 20 5 EGBDRO C[C@@H]([NH2+]C[C@@](C)(O)c1ccccc1Cl)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788750111 1306008835 /nfs/dbraw/zinc/00/88/35/1306008835.db2.gz LXJOPVOMSKMLII-PIGZYNQJSA-N 1 0 349.818 3.389 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000789427874 1306159930 /nfs/dbraw/zinc/15/99/30/1306159930.db2.gz NSKGTBIGYBEKDF-CQSZACIVSA-N 1 0 334.420 3.208 20 5 EGBDRO COc1c(O)ccc(C[NH2+]CCc2cc(C)ccc2F)c1[N+](=O)[O-] ZINC000894740591 1309046216 /nfs/dbraw/zinc/04/62/16/1309046216.db2.gz AZRXZJGATCJCBY-UHFFFAOYSA-N 1 0 334.347 3.089 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)C[NH+]2CCCCC2)c1C ZINC000895802651 1309527295 /nfs/dbraw/zinc/52/72/95/1309527295.db2.gz NLDURYGKHPVMGZ-ZDUSSCGKSA-N 1 0 333.432 3.063 20 5 EGBDRO CC(C)c1ccc(C[NH+]2CCC3(CC2)C[C@@H](O)CCO3)cc1[N+](=O)[O-] ZINC000897262254 1310251940 /nfs/dbraw/zinc/25/19/40/1310251940.db2.gz XBIMWFIODXDUIE-INIZCTEOSA-N 1 0 348.443 3.224 20 5 EGBDRO Cc1noc(C[C@@H]2CCC[N@H+](Cc3c(C)ccc([N+](=O)[O-])c3C)C2)n1 ZINC000897575136 1310388163 /nfs/dbraw/zinc/38/81/63/1310388163.db2.gz QYAPYMRAYPODMP-HNNXBMFYSA-N 1 0 344.415 3.358 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CCO)Cc2ccccc2)cc1Cl ZINC000799738973 1310611327 /nfs/dbraw/zinc/61/13/27/1310611327.db2.gz FLUGLBFHZGYVNO-HNNXBMFYSA-N 1 0 334.803 3.332 20 5 EGBDRO CC[NH+](CC)CCCOC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000800080069 1310668016 /nfs/dbraw/zinc/66/80/16/1310668016.db2.gz PETKTAQOSYSHGW-UHFFFAOYSA-N 1 0 326.418 3.205 20 5 EGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCOC1CCSCC1 ZINC000898439636 1310735231 /nfs/dbraw/zinc/73/52/31/1310735231.db2.gz KEGMWHYOLWDOPU-AWEZNQCLSA-N 1 0 338.473 3.418 20 5 EGBDRO COC[C@@H](Cc1ccccc1)[N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801548356 1310964459 /nfs/dbraw/zinc/96/44/59/1310964459.db2.gz SXHNKXXGRSQHAF-MRXNPFEDSA-N 1 0 332.375 3.423 20 5 EGBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)CCc1cccc([N+](=O)[O-])c1 ZINC000801600341 1310972970 /nfs/dbraw/zinc/97/29/70/1310972970.db2.gz OVBNUECAEFAVRB-UHFFFAOYSA-N 1 0 329.356 3.220 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C(=O)NC(C)(C)CCC[NH+](C)C)cc1Cl ZINC000839412998 1320915412 /nfs/dbraw/zinc/91/54/12/1320915412.db2.gz NIRKWJBSBZYWAE-UHFFFAOYSA-N 1 0 341.839 3.407 20 5 EGBDRO COC1([C@@H](C)[NH2+]Cc2ccc(Br)c([N+](=O)[O-])c2)CCC1 ZINC000839661828 1320955928 /nfs/dbraw/zinc/95/59/28/1320955928.db2.gz ZYUPDGRSROQHFP-SNVBAGLBSA-N 1 0 343.221 3.405 20 5 EGBDRO C[NH+](C)[C@H](CNc1c([N+](=O)[O-])cccc1[N+](=O)[O-])Cc1ccccc1 ZINC000804326242 1317219421 /nfs/dbraw/zinc/21/94/21/1317219421.db2.gz MUWUBSUOTSANMZ-AWEZNQCLSA-N 1 0 344.371 3.088 20 5 EGBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2ccc(N)cc2[N+](=O)[O-])C1 ZINC000804372428 1317224608 /nfs/dbraw/zinc/22/46/08/1317224608.db2.gz LWZCRXUHNHYINE-XJKSGUPXSA-N 1 0 326.400 3.424 20 5 EGBDRO C[C@@H](Nc1ccc([N+](=O)[O-])c2nonc21)[C@H](c1ccccc1)[NH+](C)C ZINC000804680033 1317273177 /nfs/dbraw/zinc/27/31/77/1317273177.db2.gz SYGLDSYCWXYWKJ-PIGZYNQJSA-N 1 0 341.371 3.234 20 5 EGBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1c1nc2ccc([N+](=O)[O-])cc2s1 ZINC000804852540 1317294361 /nfs/dbraw/zinc/29/43/61/1317294361.db2.gz KDWMBOZHXGBBTF-SMDDNHRTSA-N 1 0 332.429 3.268 20 5 EGBDRO O=C(C=C1CCCCC1)N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001020014965 1317500604 /nfs/dbraw/zinc/50/06/04/1317500604.db2.gz IMZWNJHMCQAABG-QAQDUYKDSA-N 1 0 343.427 3.222 20 5 EGBDRO CCCC(=O)N1CCC(C[N@H+](CC)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000957664852 1317536566 /nfs/dbraw/zinc/53/65/66/1317536566.db2.gz RABQJJUPTBVDNE-UHFFFAOYSA-N 1 0 347.459 3.455 20 5 EGBDRO C[NH+](C)Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000929808503 1328705692 /nfs/dbraw/zinc/70/56/92/1328705692.db2.gz HZCRBFDOEODOJK-ZWKOTPCHSA-N 1 0 339.395 3.399 20 5 EGBDRO C[C@@H](O)c1ncc(C[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000809634535 1317851620 /nfs/dbraw/zinc/85/16/20/1317851620.db2.gz GYXHPLUMBYJSII-SECBINFHSA-N 1 0 341.820 3.090 20 5 EGBDRO [NH3+]CCN(Cc1cnc(C2CCC2)s1)c1ccc([N+](=O)[O-])cc1 ZINC000809734333 1317883207 /nfs/dbraw/zinc/88/32/07/1317883207.db2.gz ATODRTVHBFSWCL-UHFFFAOYSA-N 1 0 332.429 3.284 20 5 EGBDRO CN(Cc1ccc(C[NH+](C)C)cc1)Cc1ccc([N+](=O)[O-])cc1F ZINC000809739144 1317884370 /nfs/dbraw/zinc/88/43/70/1317884370.db2.gz YXINRQOUYIRTGW-UHFFFAOYSA-N 1 0 331.391 3.428 20 5 EGBDRO O=[N+]([O-])c1c2cccnc2ccc1N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000905680453 1317980650 /nfs/dbraw/zinc/98/06/50/1317980650.db2.gz OQFJYEYTSICVLL-SFHVURJKSA-N 1 0 326.400 3.113 20 5 EGBDRO CSc1cccc(C(=O)O[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000810842784 1318064671 /nfs/dbraw/zinc/06/46/71/1318064671.db2.gz ULECLVZBSUHJRA-RYUDHWBXSA-N 1 0 336.413 3.100 20 5 EGBDRO CSC[C@@H](CCO)[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811481347 1318181763 /nfs/dbraw/zinc/18/17/63/1318181763.db2.gz XYAFHXKICGVAML-SNVBAGLBSA-N 1 0 339.244 3.105 20 5 EGBDRO CCC[C@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)OCC ZINC000858451437 1328766095 /nfs/dbraw/zinc/76/60/95/1328766095.db2.gz RZGRZIFVRRMTIO-GOSISDBHSA-N 1 0 335.448 3.358 20 5 EGBDRO CC[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)[C@@H](C)C1 ZINC000910271241 1318592207 /nfs/dbraw/zinc/59/22/07/1318592207.db2.gz QISKWNQXEZPUDK-LBPRGKRZSA-N 1 0 339.823 3.113 20 5 EGBDRO Cc1cscc1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001021945877 1318741781 /nfs/dbraw/zinc/74/17/81/1318741781.db2.gz FBDPJERXKYIQKJ-OKILXGFUSA-N 1 0 345.424 3.015 20 5 EGBDRO C[C@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000912809064 1318935716 /nfs/dbraw/zinc/93/57/16/1318935716.db2.gz CNLCRYIOWNTTAX-CRAIPNDOSA-N 1 0 347.459 3.106 20 5 EGBDRO C[C@@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000912809065 1318936612 /nfs/dbraw/zinc/93/66/12/1318936612.db2.gz CNLCRYIOWNTTAX-MAUKXSAKSA-N 1 0 347.459 3.106 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC[C@H]1[C@@H](C)C[NH+](C)C ZINC000912812084 1318938670 /nfs/dbraw/zinc/93/86/70/1318938670.db2.gz RHVYBEOLTYNEQX-YOEHRIQHSA-N 1 0 333.432 3.096 20 5 EGBDRO CC1(C)CC(CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccccc3[N+](=O)[O-])C2)C1 ZINC001022590317 1319005183 /nfs/dbraw/zinc/00/51/83/1319005183.db2.gz FFHXKSOOUWUTLF-IYBDPMFKSA-N 1 0 345.443 3.158 20 5 EGBDRO C[C@@H]([NH2+]Cc1ccc(-n2cccn2)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815559323 1319014700 /nfs/dbraw/zinc/01/47/00/1319014700.db2.gz DOEHGVKJGOCXSP-CYBMUJFWSA-N 1 0 337.383 3.214 20 5 EGBDRO C[C@@H]([NH2+]CCCN(C)c1ccccc1F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815562957 1319015707 /nfs/dbraw/zinc/01/57/07/1319015707.db2.gz QKHPOKAQWSTKHB-CYBMUJFWSA-N 1 0 346.406 3.493 20 5 EGBDRO C[C@H]([NH2+]C[C@@H]1COC2(CCC(C)CC2)O1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815609897 1319028006 /nfs/dbraw/zinc/02/80/06/1319028006.db2.gz WEJYTUOFUGBBHV-FLRRBRPGSA-N 1 0 349.431 3.149 20 5 EGBDRO Cc1cccc2c1OC[C@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)C2 ZINC000815628207 1319031945 /nfs/dbraw/zinc/03/19/45/1319031945.db2.gz UMTFGUUSUPYAOW-SWLSCSKDSA-N 1 0 327.384 3.140 20 5 EGBDRO CC1(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)CCCCC1 ZINC001022644201 1319037206 /nfs/dbraw/zinc/03/72/06/1319037206.db2.gz DVCHNHNCISOYIM-IYBDPMFKSA-N 1 0 345.443 3.302 20 5 EGBDRO COc1ccc([C@@H]([NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)C2CC2)cn1 ZINC000858604948 1328807781 /nfs/dbraw/zinc/80/77/81/1328807781.db2.gz QMDJMGHVWPLSKY-ZMZPIMSZSA-N 1 0 342.399 3.383 20 5 EGBDRO COc1ccc([C@@H]([NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)C2CC2)cn1 ZINC000858604946 1328807903 /nfs/dbraw/zinc/80/79/03/1328807903.db2.gz QMDJMGHVWPLSKY-VOJFVSQTSA-N 1 0 342.399 3.383 20 5 EGBDRO CC1(C)CCC[C@]1(O)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000816640285 1319198386 /nfs/dbraw/zinc/19/83/86/1319198386.db2.gz BNLVCGNYVCKRCU-IBGZPJMESA-N 1 0 347.459 3.094 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000930314575 1328831628 /nfs/dbraw/zinc/83/16/28/1328831628.db2.gz FRWBMDOAODZGEP-AWEZNQCLSA-N 1 0 334.420 3.158 20 5 EGBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000930317926 1328832338 /nfs/dbraw/zinc/83/23/38/1328832338.db2.gz YEOMLZRHYFQARI-OAHLLOKOSA-N 1 0 348.447 3.407 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CC2(c3ccccc3)CCC2)cc1 ZINC000818945775 1319584109 /nfs/dbraw/zinc/58/41/09/1319584109.db2.gz NZONMOXZAGRREC-SFHVURJKSA-N 1 0 326.396 3.340 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]Cc2ccccc2C(F)(F)F)c1 ZINC000818952336 1319587488 /nfs/dbraw/zinc/58/74/88/1319587488.db2.gz ZFCDTSVOGNWXOM-OAHLLOKOSA-N 1 0 340.301 3.437 20 5 EGBDRO CC(C)(C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1F ZINC000818994882 1319610540 /nfs/dbraw/zinc/61/05/40/1319610540.db2.gz RFMXQYQNWMBKOY-KRWDZBQOSA-N 1 0 332.375 3.335 20 5 EGBDRO Cc1csc(CCCC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000819007468 1319612733 /nfs/dbraw/zinc/61/27/33/1319612733.db2.gz YHAJVILEZYIGIY-OAHLLOKOSA-N 1 0 335.429 3.006 20 5 EGBDRO Cc1ccc(NCCC[NH2+]C[C@H](O)c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000819093813 1319633418 /nfs/dbraw/zinc/63/34/18/1319633418.db2.gz YQMDBRUELAKLKQ-SFHVURJKSA-N 1 0 347.390 3.168 20 5 EGBDRO COc1ccc([C@H](C)CC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000819101765 1319634827 /nfs/dbraw/zinc/63/48/27/1319634827.db2.gz DKLCZBCHCYLXNS-KUHUBIRLSA-N 1 0 344.411 3.420 20 5 EGBDRO C[C@@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)Sc1ccccc1 ZINC000819116039 1319640648 /nfs/dbraw/zinc/64/06/48/1319640648.db2.gz MDYAMFVVQXIDKJ-SUMWQHHRSA-N 1 0 332.425 3.399 20 5 EGBDRO CO[C@H](c1ccc(F)cc1)[C@@H](C)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819203760 1319667089 /nfs/dbraw/zinc/66/70/89/1319667089.db2.gz LZKPKJXWRRHYAN-PJSAGSTRSA-N 1 0 348.374 3.133 20 5 EGBDRO CC1(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)Cc2ccccc2C1 ZINC000819203300 1319667216 /nfs/dbraw/zinc/66/72/16/1319667216.db2.gz VCHDDENXJWJJQF-SFHVURJKSA-N 1 0 326.396 3.023 20 5 EGBDRO CC(C)(C)c1ccncc1C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819366619 1319710532 /nfs/dbraw/zinc/71/05/32/1319710532.db2.gz BCJKQMGIAAATMW-QGZVFWFLSA-N 1 0 329.400 3.111 20 5 EGBDRO Cc1cccc(C[NH+]2CCN(Cc3cc(F)ccc3[N+](=O)[O-])CC2)c1 ZINC000916976445 1319729588 /nfs/dbraw/zinc/72/95/88/1319729588.db2.gz OJWWTTFMSOQLIJ-UHFFFAOYSA-N 1 0 343.402 3.360 20 5 EGBDRO CCCC[N@H+](CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)[C@@H](C)CC ZINC000917437417 1319811331 /nfs/dbraw/zinc/81/13/31/1319811331.db2.gz LHMWTUWMMXRMJN-LBPRGKRZSA-N 1 0 333.388 3.049 20 5 EGBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000825529612 1320345491 /nfs/dbraw/zinc/34/54/91/1320345491.db2.gz KLSSASREFFVTER-NEPJUHHUSA-N 1 0 339.823 3.098 20 5 EGBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000836600122 1320509730 /nfs/dbraw/zinc/50/97/30/1320509730.db2.gz PRLUKDGUMPSGAA-NSHDSACASA-N 1 0 340.811 3.244 20 5 EGBDRO O=[N+]([O-])c1ccc2cnn(C[N@@H+]3CCSC4(CCC4)CC3)c2c1 ZINC000840174998 1321043575 /nfs/dbraw/zinc/04/35/75/1321043575.db2.gz VUPNMLBUBWATDZ-UHFFFAOYSA-N 1 0 332.429 3.264 20 5 EGBDRO CCO[C@@H]1CCC[C@H]1[NH2+]Cc1c(Br)cccc1[N+](=O)[O-] ZINC000930668182 1328930994 /nfs/dbraw/zinc/93/09/94/1328930994.db2.gz XXHZQDJCRIEXDW-TZMCWYRMSA-N 1 0 343.221 3.405 20 5 EGBDRO C[N@@H+]1CCCC[C@@H]1CCOC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000840658645 1321124743 /nfs/dbraw/zinc/12/47/43/1321124743.db2.gz ZTETZGZBHJKHSF-HYVNUMGLSA-N 1 0 332.400 3.116 20 5 EGBDRO CC(C)C[C@@](C)(C[NH3+])NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000841010536 1321199069 /nfs/dbraw/zinc/19/90/69/1321199069.db2.gz FTQXLDYYTKUCBF-AWEZNQCLSA-N 1 0 328.800 3.133 20 5 EGBDRO [NH3+]C1(CNC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCCCC1 ZINC000841011388 1321200351 /nfs/dbraw/zinc/20/03/51/1321200351.db2.gz PGTBMSIALKPJOA-UHFFFAOYSA-N 1 0 326.784 3.031 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1CNc1ccc2c(c1)C[NH2+]CCO2 ZINC000841076607 1321214630 /nfs/dbraw/zinc/21/46/30/1321214630.db2.gz JYBYQRJTJDKJEH-UHFFFAOYSA-N 1 0 343.383 3.088 20 5 EGBDRO CN(C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(C)(C)C[NH+]1CCCC1 ZINC000841367754 1321265151 /nfs/dbraw/zinc/26/51/51/1321265151.db2.gz ZAMJRPQESGVOEL-UHFFFAOYSA-N 1 0 339.823 3.195 20 5 EGBDRO C[NH2+]C[C@@H](C)c1noc([C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000842580115 1321403677 /nfs/dbraw/zinc/40/36/77/1321403677.db2.gz GQZOAKAMNHXTCG-RKDXNWHRSA-N 1 0 340.767 3.094 20 5 EGBDRO CCC[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H](O)c1ccccc1 ZINC000843086528 1321467352 /nfs/dbraw/zinc/46/73/52/1321467352.db2.gz HBVNUYDHSSTGJU-IPMKNSEASA-N 1 0 344.411 3.120 20 5 EGBDRO CC(C)[C@@H]([NH3+])c1noc([C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000843149165 1321478845 /nfs/dbraw/zinc/47/88/45/1321478845.db2.gz AXLSDSAXZHZLDC-PRHODGIISA-N 1 0 340.767 3.427 20 5 EGBDRO Cc1cc(-c2noc(CC3C[C@H]4CC[C@@H](C3)[NH2+]4)n2)cc([N+](=O)[O-])c1 ZINC000843240078 1321495196 /nfs/dbraw/zinc/49/51/96/1321495196.db2.gz UBNJFZQXHWECDG-QXMXGUDHSA-N 1 0 328.372 3.026 20 5 EGBDRO Cc1cc(-c2noc(C[C@@H](C)C3CC[NH2+]CC3)n2)cc([N+](=O)[O-])c1 ZINC000843240330 1321495247 /nfs/dbraw/zinc/49/52/47/1321495247.db2.gz VAOOOWMSLKZUBK-GFCCVEGCSA-N 1 0 330.388 3.131 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCC[C@@H]2CC2(Cl)Cl)cc1 ZINC000844276594 1321584373 /nfs/dbraw/zinc/58/43/73/1321584373.db2.gz GWAYUIJEZFFFEM-YPMHNXCESA-N 1 0 333.215 3.192 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C(=O)N2[C@H](C)C[N@H+](C)[C@H](C)[C@H]2C)cc1Cl ZINC000844645797 1321630322 /nfs/dbraw/zinc/63/03/22/1321630322.db2.gz ICYHKMBZMGJKHP-IJLUTSLNSA-N 1 0 339.823 3.110 20 5 EGBDRO Cc1nn(CN2CCC[C@H](OC(C)C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000844718443 1321639495 /nfs/dbraw/zinc/63/94/95/1321639495.db2.gz VDRPBMOAPSPHAE-HNNXBMFYSA-N 1 0 332.404 3.100 20 5 EGBDRO CC(C)(C)[N@@H+]1CC[C@H]1COC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000845736500 1321738982 /nfs/dbraw/zinc/73/89/82/1321738982.db2.gz VAIVOMBJFGHBOS-ZDUSSCGKSA-N 1 0 332.356 3.371 20 5 EGBDRO O=C(NCCCCCCC[NH+]1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000920249664 1322154487 /nfs/dbraw/zinc/15/44/87/1322154487.db2.gz HQJLRHSWMPQILQ-UHFFFAOYSA-N 1 0 333.432 3.371 20 5 EGBDRO C[S@](=O)[C@H]1CCC[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000850354884 1322232208 /nfs/dbraw/zinc/23/22/08/1322232208.db2.gz BVSSMXILIFXDGX-ZZPLEAIBSA-N 1 0 330.837 3.028 20 5 EGBDRO COc1cc(C[NH2+][C@H]2C=CCC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000850358249 1322232967 /nfs/dbraw/zinc/23/29/67/1322232967.db2.gz MDTPKJMXQVIVFE-NSHDSACASA-N 1 0 346.305 3.353 20 5 EGBDRO C[C@@H](CN(C)C(=O)OC(C)(C)C)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000850416961 1322242559 /nfs/dbraw/zinc/24/25/59/1322242559.db2.gz HMBAZTMBHFMITB-NSHDSACASA-N 1 0 341.383 3.079 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H](CCO)Cc1ccccc1 ZINC000850466066 1322254383 /nfs/dbraw/zinc/25/43/83/1322254383.db2.gz BZHBYNXDYUNTOH-ZBFHGGJFSA-N 1 0 344.411 3.248 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000931057823 1329039046 /nfs/dbraw/zinc/03/90/46/1329039046.db2.gz SWPBBLWIUKZARH-CYBMUJFWSA-N 1 0 334.420 3.206 20 5 EGBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)C1 ZINC000931058418 1329039087 /nfs/dbraw/zinc/03/90/87/1329039087.db2.gz YKLGWMKDXOPZLJ-OAHLLOKOSA-N 1 0 348.447 3.407 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCO[C@H]2CCOC2)s1 ZINC000922940326 1322654378 /nfs/dbraw/zinc/65/43/78/1322654378.db2.gz YAUWNNZYLIFBLJ-ZDUSSCGKSA-N 1 0 348.424 3.218 20 5 EGBDRO CC(C)(C)[N@@H+]1CCCN(C(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000931123483 1329055431 /nfs/dbraw/zinc/05/54/31/1329055431.db2.gz PEQCAHZXWUMLFK-IRXDYDNUSA-N 1 0 345.443 3.031 20 5 EGBDRO CCC(CC)[NH2+]CCNC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000931298145 1329088451 /nfs/dbraw/zinc/08/84/51/1329088451.db2.gz XLKXOOFLDAGENT-UHFFFAOYSA-N 1 0 328.800 3.148 20 5 EGBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000931625926 1329156212 /nfs/dbraw/zinc/15/62/12/1329156212.db2.gz KUNNNKKLFZKXKR-LLVKDONJSA-N 1 0 340.811 3.115 20 5 EGBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000925235413 1325089981 /nfs/dbraw/zinc/08/99/81/1325089981.db2.gz VHIWJEPXQVHSHZ-HUUCEWRRSA-N 1 0 348.447 3.029 20 5 EGBDRO C[C@@H](NC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000925235610 1325090632 /nfs/dbraw/zinc/09/06/32/1325090632.db2.gz MQDCEJFOUJUQAX-KGLIPLIRSA-N 1 0 348.447 3.028 20 5 EGBDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000855898650 1325427827 /nfs/dbraw/zinc/42/78/27/1325427827.db2.gz RYBWIBFDWFZLGV-GFCCVEGCSA-N 1 0 339.823 3.098 20 5 EGBDRO C[C@H](CCNC(=O)c1cccc([N+](=O)[O-])c1Cl)[NH+]1CCCCC1 ZINC000860779266 1329354574 /nfs/dbraw/zinc/35/45/74/1329354574.db2.gz WDRCVKBJWZZXLB-GFCCVEGCSA-N 1 0 339.823 3.243 20 5 EGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1cc(C2CC2)n(C)n1 ZINC000927112932 1327871871 /nfs/dbraw/zinc/87/18/71/1327871871.db2.gz UPSFVFWYBAWVGF-CYBMUJFWSA-N 1 0 328.416 3.317 20 5 EGBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000861410512 1329416807 /nfs/dbraw/zinc/41/68/07/1329416807.db2.gz XTPODOHGUJLRKN-ZDUSSCGKSA-N 1 0 339.823 3.098 20 5 EGBDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000862209604 1329465817 /nfs/dbraw/zinc/46/58/17/1329465817.db2.gz VMMWJGCIQCPTCZ-GFCCVEGCSA-N 1 0 339.823 3.098 20 5 EGBDRO C[C@@H]1CCC[N@H+](CCCCNc2cc(F)c([N+](=O)[O-])cc2CO)C1 ZINC000865445390 1329698289 /nfs/dbraw/zinc/69/82/89/1329698289.db2.gz MEVUIDFCDZFLPN-CYBMUJFWSA-N 1 0 339.411 3.150 20 5 EGBDRO CS[C@H]1CN(c2ccc([N+](=O)[O-])cc2C(F)F)C[C@@H]1[NH+](C)C ZINC000865645226 1329724481 /nfs/dbraw/zinc/72/44/81/1329724481.db2.gz VJFJHPSHBWAFTG-STQMWFEESA-N 1 0 331.388 3.014 20 5 EGBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1CN1CC[C@H](C2OCCO2)C1 ZINC000931998915 1329777455 /nfs/dbraw/zinc/77/74/55/1329777455.db2.gz BSGCTZTUFBVXEX-VIFPVBQESA-N 1 0 347.198 3.096 20 5 EGBDRO CCOc1ccccc1NC(=O)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000932181285 1329791778 /nfs/dbraw/zinc/79/17/78/1329791778.db2.gz MJSIQNQBSRIECH-CYBMUJFWSA-N 1 0 343.383 3.283 20 5 EGBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@@H](c2nc3c(s2)CCC3)C1 ZINC000932189382 1329792582 /nfs/dbraw/zinc/79/25/82/1329792582.db2.gz VQIPIONTRNAVJT-CYBMUJFWSA-N 1 0 344.440 3.315 20 5 EGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@](C)(O)c1ccsc1 ZINC000866271890 1330088642 /nfs/dbraw/zinc/08/86/42/1330088642.db2.gz QKNWFICZDFARKP-BZNIZROVSA-N 1 0 338.404 3.224 20 5 EGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H](O)[C@H](C)c1ccccc1 ZINC000866394735 1330106133 /nfs/dbraw/zinc/10/61/33/1330106133.db2.gz YVEYHDXZXPMNJA-LPMFXHHGSA-N 1 0 346.402 3.419 20 5 EGBDRO C[C@@H](C[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-])CC1(C)OCCO1 ZINC000866424810 1330110047 /nfs/dbraw/zinc/11/00/47/1330110047.db2.gz HIIXXLOKLPDPFJ-HUUCEWRRSA-N 1 0 336.432 3.295 20 5 EGBDRO CC[C@@H](CNC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000867949139 1330231952 /nfs/dbraw/zinc/23/19/52/1330231952.db2.gz OVRDPHNJFKRMDG-IFXJQAMLSA-N 1 0 341.411 3.079 20 5 EGBDRO C[C@@]([NH3+])(C(=O)N[C@@H]1CCCc2sccc21)c1cccc([N+](=O)[O-])c1 ZINC000867977758 1330235460 /nfs/dbraw/zinc/23/54/60/1330235460.db2.gz PHZVAWVUXQLDGN-PBHICJAKSA-N 1 0 345.424 3.024 20 5 EGBDRO Cc1cc(NC(=O)Cc2cccc(F)c2[N+](=O)[O-])ccc1C[NH+](C)C ZINC000868852991 1330361120 /nfs/dbraw/zinc/36/11/20/1330361120.db2.gz DQCKFJKPIOAWDL-UHFFFAOYSA-N 1 0 345.374 3.285 20 5 EGBDRO O=[N+]([O-])c1ccc(Br)c(OC2CC3(C2)CCC[NH2+]C3)c1 ZINC001218252153 1373583646 /nfs/dbraw/zinc/58/36/46/1373583646.db2.gz QCFHIYBCHQMQMS-UHFFFAOYSA-N 1 0 341.205 3.268 20 5 EGBDRO CC[N@@H+]1CCC[C@H](Oc2ccc([N+](=O)[O-])c(Br)c2)C1 ZINC001229085822 1375760998 /nfs/dbraw/zinc/76/09/98/1375760998.db2.gz HTNKUQOBJSDJOM-NSHDSACASA-N 1 0 329.194 3.220 20 5 EGBDRO Cc1c[nH+]c2ccccc2c1N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC001325230135 1387918944 /nfs/dbraw/zinc/91/89/44/1387918944.db2.gz DMRDXMXFSCKYDG-UHFFFAOYSA-N 1 0 349.394 3.173 20 5 EGBDRO O=C(CCCC1CC1)N1CCCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC001196862327 1368702314 /nfs/dbraw/zinc/70/23/14/1368702314.db2.gz DZKZEPCXPZTGSP-UHFFFAOYSA-N 1 0 345.443 3.209 20 5 EGBDRO CCC(=CC(=O)N1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1)CC ZINC001200079395 1369313550 /nfs/dbraw/zinc/31/35/50/1369313550.db2.gz YDJMFQNPHOPJOP-UHFFFAOYSA-N 1 0 345.443 3.422 20 5 EGBDRO CCCC1(C(=O)N2CCC([NH2+]Cc3ccccc3[N+](=O)[O-])CC2)CC1 ZINC001202398901 1369760847 /nfs/dbraw/zinc/76/08/47/1369760847.db2.gz QDYOCAUCNPZWHH-UHFFFAOYSA-N 1 0 345.443 3.256 20 5 EGBDRO CC/C=C(/C)C(=O)N1CCC(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001204662586 1370539247 /nfs/dbraw/zinc/53/92/47/1370539247.db2.gz OHWONADQHMARLG-TVPGTPATSA-N 1 0 345.443 3.279 20 5 EGBDRO O=[N+]([O-])c1ccn(C2CC[NH+]([C@@H]3CCc4c3cccc4F)CC2)n1 ZINC001116821019 1370980982 /nfs/dbraw/zinc/98/09/82/1370980982.db2.gz HAOYVTXHDYMQRZ-MRXNPFEDSA-N 1 0 330.363 3.255 20 5 EGBDRO Cc1ccc([C@H](C)NC(=O)c2ccc3c(c2)C[NH2+]CC3)cc1[N+](=O)[O-] ZINC001118135409 1371136102 /nfs/dbraw/zinc/13/61/02/1371136102.db2.gz GOOMZQDUKKZUNB-ZDUSSCGKSA-N 1 0 339.395 3.040 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCc2c(F)cccc2Cl)cc1 ZINC001326157434 1388120416 /nfs/dbraw/zinc/12/04/16/1388120416.db2.gz YDSIERHKCDGVGI-MRXNPFEDSA-N 1 0 338.766 3.253 20 5 EGBDRO Cc1cc(-c2nc(-c3ccc(C[NH+](C)C)cc3)no2)ncc1[N+](=O)[O-] ZINC001212665154 1372747996 /nfs/dbraw/zinc/74/79/96/1372747996.db2.gz ZGNNHBHTNSHBDI-UHFFFAOYSA-N 1 0 339.355 3.077 20 5 EGBDRO C[C@@H](OCCC[C@@H]1CCC[NH2+]C1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001217830377 1373505390 /nfs/dbraw/zinc/50/53/90/1373505390.db2.gz BQMMVPBWMZQDAG-OLZOCXBDSA-N 1 0 336.388 3.181 20 5 EGBDRO C[NH2+][C@H]1C[C@H](Oc2c(Br)cc(Cl)cc2[N+](=O)[O-])C1 ZINC001217955519 1373518544 /nfs/dbraw/zinc/51/85/44/1373518544.db2.gz VOKFHKFFLJUUTD-ZKCHVHJHSA-N 1 0 335.585 3.140 20 5 EGBDRO C[NH2+][C@H]1C[C@@H](Oc2c(Br)cc(Cl)cc2[N+](=O)[O-])C1 ZINC001217957276 1373519204 /nfs/dbraw/zinc/51/92/04/1373519204.db2.gz VOKFHKFFLJUUTD-OCAPTIKFSA-N 1 0 335.585 3.140 20 5 EGBDRO O=c1oc2cc(O[C@@H]3C[NH2+]CCC[C@H]3F)ccc2c2ccccc12 ZINC001217974968 1373523542 /nfs/dbraw/zinc/52/35/42/1373523542.db2.gz GVNOPCJKLHKFNB-SJLPKXTDSA-N 1 0 327.355 3.415 20 5 EGBDRO C[C@H]1C[NH2+]CCC[C@@H]1Oc1cc([N+](=O)[O-])cc(F)c1Br ZINC001217987758 1373527135 /nfs/dbraw/zinc/52/71/35/1373527135.db2.gz BHMGBNOSZYBTHS-KWQFWETISA-N 1 0 347.184 3.263 20 5 EGBDRO C[C@H]1C[NH2+]CCC[C@H]1Oc1c2ccccc2c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001217992589 1373529654 /nfs/dbraw/zinc/52/96/54/1373529654.db2.gz SCBHOXIHTNFKMU-MEDUHNTESA-N 1 0 345.355 3.423 20 5 EGBDRO C[C@H]1C[NH2+]CCC[C@@H]1Oc1c(Br)cc(F)cc1[N+](=O)[O-] ZINC001217995784 1373530405 /nfs/dbraw/zinc/53/04/05/1373530405.db2.gz YWRNZCNVXJSKOE-UFBFGSQYSA-N 1 0 347.184 3.263 20 5 EGBDRO CC(C)(C)OC(=O)c1ccc(O[C@@H]2CCC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC001217999065 1373530850 /nfs/dbraw/zinc/53/08/50/1373530850.db2.gz FPFNGRJYBMBIIT-CYBMUJFWSA-N 1 0 336.388 3.071 20 5 EGBDRO O=[N+]([O-])c1ccc(/C=C/c2ccc(O[C@@H]3C[NH2+]C[C@@H]3F)cc2)cc1 ZINC001217998249 1373531123 /nfs/dbraw/zinc/53/11/23/1373531123.db2.gz MJVMZNUPWKDLCL-YBGHRMDUSA-N 1 0 328.343 3.454 20 5 EGBDRO C[C@H](Oc1cnc2ccc(=O)n3c4ccccc4c1c23)C1CC[NH2+]CC1 ZINC001218005487 1373533767 /nfs/dbraw/zinc/53/37/67/1373533767.db2.gz KQDDRTSAMAWWRC-ZDUSSCGKSA-N 1 0 347.418 3.206 20 5 EGBDRO C[C@@H]1CC[NH2+]CC[C@@H]1Oc1ccc(OC(F)(F)F)cc1[N+](=O)[O-] ZINC001218022496 1373540566 /nfs/dbraw/zinc/54/05/66/1373540566.db2.gz FAHUDMZNHRGMRO-SKDRFNHKSA-N 1 0 334.294 3.260 20 5 EGBDRO C[C@@H]1CC[NH2+]CC[C@@H]1Oc1cc(F)c(Br)cc1[N+](=O)[O-] ZINC001218026551 1373541294 /nfs/dbraw/zinc/54/12/94/1373541294.db2.gz IWBGTNBWPBLZRV-PELKAZGASA-N 1 0 347.184 3.263 20 5 EGBDRO C[C@H]1CC[NH2+]CC[C@@H]1Oc1c(Br)c(F)ccc1[N+](=O)[O-] ZINC001218028115 1373541761 /nfs/dbraw/zinc/54/17/61/1373541761.db2.gz CTBYJNYSEZPAMB-KWQFWETISA-N 1 0 347.184 3.263 20 5 EGBDRO Cc1c(Cl)cc([N+](=O)[O-])c(O[C@@H]2C[NH2+]C[C@H]2C)c1Br ZINC001218033934 1373543994 /nfs/dbraw/zinc/54/39/94/1373543994.db2.gz JOGMYULHPYYPTB-LHLIQPBNSA-N 1 0 349.612 3.306 20 5 EGBDRO C[C@@H]1CC[NH2+]C[C@H]1Oc1c2ccccc2c(O)c2c(O)ccc(O)c12 ZINC001218043826 1373546564 /nfs/dbraw/zinc/54/65/64/1373546564.db2.gz NRDRBXWJRINOFX-BDJLRTHQSA-N 1 0 339.391 3.487 20 5 EGBDRO Cc1cc(O[C@@H]2C[NH2+]CC[C@H]2C)c([N+](=O)[O-])cc1Br ZINC001218043908 1373546618 /nfs/dbraw/zinc/54/66/18/1373546618.db2.gz PNFCLVFXFCLNAJ-AMIZOPFISA-N 1 0 329.194 3.043 20 5 EGBDRO C[C@@H]1C[C@H](Oc2cc([N+](=O)[O-])cc(F)c2Br)CC[NH2+]1 ZINC001218053141 1373548139 /nfs/dbraw/zinc/54/81/39/1373548139.db2.gz OIMREMDIQPEQQM-VXNVDRBHSA-N 1 0 333.157 3.016 20 5 EGBDRO O=[N+]([O-])c1cc(O[C@H]2CCC[C@@]23CC[NH2+]C3)ccc1Br ZINC001218091345 1373558325 /nfs/dbraw/zinc/55/83/25/1373558325.db2.gz DICHCVUUTXWUAZ-KBPBESRZSA-N 1 0 341.205 3.268 20 5 EGBDRO O=[N+]([O-])c1cc2nc(O[C@@H]3CCC[C@]34CC[NH2+]C4)[nH]c2cc1Cl ZINC001218097965 1373559872 /nfs/dbraw/zinc/55/98/72/1373559872.db2.gz WKGQJKOWMPUNHB-UKRRQHHQSA-N 1 0 336.779 3.036 20 5 EGBDRO CC(C)(C)c1cc([N+](=O)[O-])c(O[C@@H]2CC[C@]23CC[NH2+]C3)c([N+](=O)[O-])c1 ZINC001218116935 1373563851 /nfs/dbraw/zinc/56/38/51/1373563851.db2.gz LNNPSQAYUMFRKJ-RHSMWYFYSA-N 1 0 349.387 3.321 20 5 EGBDRO CC1(C)C[NH2+]CC[C@H]1Oc1cccc([N+](=O)[O-])c1Br ZINC001218313560 1373593783 /nfs/dbraw/zinc/59/37/83/1373593783.db2.gz JKEOYKHHGAYKJY-LLVKDONJSA-N 1 0 329.194 3.124 20 5 EGBDRO C[C@H]1CC[C@H](Oc2c(F)cc([N+](=O)[O-])cc2Br)C[NH2+]1 ZINC001218399618 1373607550 /nfs/dbraw/zinc/60/75/50/1373607550.db2.gz BLHGXLPNAZULSA-CBAPKCEASA-N 1 0 333.157 3.016 20 5 EGBDRO C[C@@H]1CC[C@H](Oc2c(F)cc(Br)cc2[N+](=O)[O-])C[NH2+]1 ZINC001218409962 1373609271 /nfs/dbraw/zinc/60/92/71/1373609271.db2.gz ZNAVIZMJLQXGFT-APPZFPTMSA-N 1 0 333.157 3.016 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)c(O[C@H]2C[NH2+]CCC2(F)F)cc1Cl ZINC001218447344 1373613808 /nfs/dbraw/zinc/61/38/08/1373613808.db2.gz JIABVVFGXHGYNT-JTQLQIEISA-N 1 0 327.114 3.278 20 5 EGBDRO CC(C)(C)c1cc([N+](=O)[O-])c(O[C@@H]2CC[C@H]3C[NH2+]C[C@@H]32)c([N+](=O)[O-])c1 ZINC001218464330 1373618911 /nfs/dbraw/zinc/61/89/11/1373618911.db2.gz GPXBHRVMXLCOBH-ITDIGPHOSA-N 1 0 349.387 3.177 20 5 EGBDRO Cc1cc(Br)cc([N+](=O)[O-])c1O[C@H]1C[NH2+]CC[C@H]1C ZINC001218483795 1373623736 /nfs/dbraw/zinc/62/37/36/1373623736.db2.gz DWMCHBDEIBKVRY-PELKAZGASA-N 1 0 329.194 3.043 20 5 EGBDRO O=[N+]([O-])c1cccnc1O[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001225598664 1375130512 /nfs/dbraw/zinc/13/05/12/1375130512.db2.gz XRHRFXDDVJFTOU-XYJFISCASA-N 1 0 339.395 3.279 20 5 EGBDRO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1Oc1cccnc1[N+](=O)[O-] ZINC001225628265 1375134561 /nfs/dbraw/zinc/13/45/61/1375134561.db2.gz GDZISIJOJZIDHK-YOEHRIQHSA-N 1 0 327.384 3.279 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)cnc1O[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001226130268 1375207983 /nfs/dbraw/zinc/20/79/83/1375207983.db2.gz KGSWGWRCDKJOIS-AWEZNQCLSA-N 1 0 333.775 3.297 20 5 EGBDRO O=[N+]([O-])c1ccc(O[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)cn1 ZINC001226712636 1375315014 /nfs/dbraw/zinc/31/50/14/1375315014.db2.gz PMAOYXPMIZQSQF-BPQIPLTHSA-N 1 0 339.395 3.279 20 5 EGBDRO CC/C(C)=C\C(=O)NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001227210905 1375407113 /nfs/dbraw/zinc/40/71/13/1375407113.db2.gz HOBMNOVDFVCJFV-OWBHPGMISA-N 1 0 331.416 3.032 20 5 EGBDRO CC(C)(C)[NH+]1CCC(Oc2ncnc3cc([N+](=O)[O-])ccc32)CC1 ZINC001229402827 1375829157 /nfs/dbraw/zinc/82/91/57/1375829157.db2.gz LOFUBQURZOVQQK-UHFFFAOYSA-N 1 0 330.388 3.180 20 5 EGBDRO C[C@@H](c1ccccn1)[N@@H+]1CC[C@@H](Oc2ccc(Cl)nc2[N+](=O)[O-])C1 ZINC001230879140 1376173454 /nfs/dbraw/zinc/17/34/54/1376173454.db2.gz MZKBVCXPTGBJCH-NWDGAFQWSA-N 1 0 348.790 3.253 20 5 EGBDRO CC1(C)C2CCC1(C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC001134986976 1376829410 /nfs/dbraw/zinc/82/94/10/1376829410.db2.gz BXXGFTSFONCVOD-UHFFFAOYSA-N 1 0 345.443 3.017 20 5 EGBDRO C[NH2+][C@@H](CC1CCCCC1)c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001249203858 1377072886 /nfs/dbraw/zinc/07/28/86/1377072886.db2.gz DCKGTMZBDMUGBM-LBPRGKRZSA-N 1 0 349.366 3.410 20 5 EGBDRO C[NH+]1CCC(CO)(NC(=O)c2c3ccccc3cc3ccccc32)CC1 ZINC001153497582 1380085193 /nfs/dbraw/zinc/08/51/93/1380085193.db2.gz FCJVSVFOIAMKCX-UHFFFAOYSA-N 1 0 348.446 3.180 20 5 EGBDRO O=[N+]([O-])c1cccc2nc(N[C@H]3C[NH2+]Cc4ccsc43)ccc21 ZINC001155560261 1380468709 /nfs/dbraw/zinc/46/87/09/1380468709.db2.gz BYYXWTXGESWOHO-ZDUSSCGKSA-N 1 0 326.381 3.461 20 5 EGBDRO CC(C)(C)CCCC(=O)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001155702465 1380484491 /nfs/dbraw/zinc/48/44/91/1380484491.db2.gz YQFLXACPADWVQC-UHFFFAOYSA-N 1 0 341.477 3.469 20 5 EGBDRO Cc1c(C)n(-c2nc(Cl)nc(C)c2[N+](=O)[O-])c2ccc(C[NH3+])cc12 ZINC001155903173 1380504122 /nfs/dbraw/zinc/50/41/22/1380504122.db2.gz JNODBGVOWKFACK-UHFFFAOYSA-N 1 0 345.790 3.366 20 5 EGBDRO C[NH+](C)Cc1cccc(CNc2cnc3ccc([N+](=O)[O-])cc3n2)c1 ZINC001156043865 1380516010 /nfs/dbraw/zinc/51/60/10/1380516010.db2.gz CONKIVRMWZQBQN-UHFFFAOYSA-N 1 0 337.383 3.212 20 5 EGBDRO O=[N+]([O-])c1ccc2c(ccnc2N2CCCC[C@@]23CCC[NH2+]C3)c1 ZINC001157475901 1380925556 /nfs/dbraw/zinc/92/55/56/1380925556.db2.gz NUHJBHJMAOZPBX-SFHVURJKSA-N 1 0 326.400 3.256 20 5 EGBDRO CCC[N@H+]1C[C@H]2CN(c3cc(C)c4cc([N+](=O)[O-])ccc4n3)C[C@H]2C1 ZINC001157692963 1381004508 /nfs/dbraw/zinc/00/45/08/1381004508.db2.gz ZYYMLSUSXICXAH-GASCZTMLSA-N 1 0 340.427 3.229 20 5 EGBDRO Cc1c[nH+]ccc1N1CCN(c2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC001158108874 1381129882 /nfs/dbraw/zinc/12/98/82/1381129882.db2.gz WSKVVHRKDJVQNL-UHFFFAOYSA-N 1 0 349.394 3.173 20 5 EGBDRO CC1(C)C[C@H](Nc2cc([N+](=O)[O-])c3cc[nH]c3n2)C[C@@](C)(C[NH3+])C1 ZINC001158263965 1381177761 /nfs/dbraw/zinc/17/77/61/1381177761.db2.gz HLABUMQFLXVZFY-APPDUMDISA-N 1 0 331.420 3.427 20 5 EGBDRO [NH3+]Cc1cccc2c1cnn2-c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC001158312693 1381195848 /nfs/dbraw/zinc/19/58/48/1381195848.db2.gz KXZDTECNJLRRBZ-UHFFFAOYSA-N 1 0 345.362 3.454 20 5 EGBDRO O=[N+]([O-])c1ccc(Nc2ccc(N3CC[NH2+]CC3)cc2)c(Cl)c1 ZINC001159454502 1381798919 /nfs/dbraw/zinc/79/89/19/1381798919.db2.gz BRPZDTJQQLNYTM-UHFFFAOYSA-N 1 0 332.791 3.401 20 5 EGBDRO C[C@H]([NH3+])c1ncc(-c2ccccc2)n1-c1ncc(F)cc1[N+](=O)[O-] ZINC001159592240 1381838646 /nfs/dbraw/zinc/83/86/46/1381838646.db2.gz NVXIQUHNTZUSEH-JTQLQIEISA-N 1 0 327.319 3.001 20 5 EGBDRO O=[N+]([O-])c1cnc(N[C@@H](Cc2ccccc2)C[NH+]2CCCC2)c(F)c1 ZINC001159653312 1381859930 /nfs/dbraw/zinc/85/99/30/1381859930.db2.gz GQVDDORTWQGFNP-HNNXBMFYSA-N 1 0 344.390 3.248 20 5 EGBDRO Nc1c(F)cccc1N(c1ccc(F)cc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC001160066004 1381987610 /nfs/dbraw/zinc/98/76/10/1381987610.db2.gz USSCFMIJJTYVNC-UHFFFAOYSA-N 1 0 348.353 3.345 20 5 EGBDRO Cc1cc(-n2cc3ccc(C[NH3+])cc3n2)nc2ccc([N+](=O)[O-])cc12 ZINC001160140677 1382012991 /nfs/dbraw/zinc/01/29/91/1382012991.db2.gz LANYHVJQZONRIK-UHFFFAOYSA-N 1 0 333.351 3.249 20 5 EGBDRO O=[N+]([O-])c1cc(Nc2ccc(O[C@@H]3CC[NH2+]C3)c(F)c2)ccc1F ZINC001160163921 1382022496 /nfs/dbraw/zinc/02/24/96/1382022496.db2.gz LSPGXUQTPPSJPN-GFCCVEGCSA-N 1 0 335.310 3.357 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1Nc1ccccc1O[C@@H]1CC[NH2+]C1 ZINC001160168034 1382023110 /nfs/dbraw/zinc/02/31/10/1382023110.db2.gz YYISGLKYEHWRHI-CYBMUJFWSA-N 1 0 329.356 3.088 20 5 EGBDRO [NH3+]C[C@H]1COc2ccccc2N1c1nc2ccccc2cc1[N+](=O)[O-] ZINC001160200277 1382031901 /nfs/dbraw/zinc/03/19/01/1382031901.db2.gz LVYAUERKTZTROY-ZDUSSCGKSA-N 1 0 336.351 3.001 20 5 EGBDRO CN(Cc1c2ccccc2cc2ccccc21)C(=O)[C@@]12C[NH2+][C@@H](CO1)C2 ZINC001160739793 1382183378 /nfs/dbraw/zinc/18/33/78/1382183378.db2.gz WNJVEVRMJZUEDP-VGOFRKELSA-N 1 0 346.430 3.082 20 5 EGBDRO O=[N+]([O-])c1ccc2ccc(NCC[NH+]3CCC(F)(F)CC3)nc2c1 ZINC001160749306 1382186454 /nfs/dbraw/zinc/18/64/54/1382186454.db2.gz PMKACZWXUIZAPC-UHFFFAOYSA-N 1 0 336.342 3.286 20 5 EGBDRO COc1cccc2c1c(C[NH3+])cn2-c1cc(Cl)ncc1[N+](=O)[O-] ZINC001160760264 1382189469 /nfs/dbraw/zinc/18/94/69/1382189469.db2.gz UZFUGSABLSKQJZ-UHFFFAOYSA-N 1 0 332.747 3.054 20 5 EGBDRO CCC(CC)[NH+]1CCC(Nc2nc(C)cc(OC)c2[N+](=O)[O-])CC1 ZINC001161098827 1382295954 /nfs/dbraw/zinc/29/59/54/1382295954.db2.gz PUKNJXGLNIKWKX-UHFFFAOYSA-N 1 0 336.436 3.372 20 5 EGBDRO O=[N+]([O-])c1ccnc(NCC2CC[NH+](Cc3ccccc3F)CC2)c1 ZINC001161193600 1382336393 /nfs/dbraw/zinc/33/63/93/1382336393.db2.gz SJGZHSZVOXNEEU-UHFFFAOYSA-N 1 0 344.390 3.453 20 5 EGBDRO Cc1cc(NCCCC[NH+](C)C)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001161728301 1382490179 /nfs/dbraw/zinc/49/01/79/1382490179.db2.gz GNUYLDPTWLRJGO-UHFFFAOYSA-N 1 0 329.404 3.114 20 5 EGBDRO CC(C)(C)C(=O)NCCC1=CC[N@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001161755146 1382495757 /nfs/dbraw/zinc/49/57/57/1382495757.db2.gz NRAOMLHOQGLVHD-UHFFFAOYSA-N 1 0 345.443 3.279 20 5 EGBDRO CC(C)CC1(C(=O)NCCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCC1 ZINC001162246088 1382675443 /nfs/dbraw/zinc/67/54/43/1382675443.db2.gz NNKDHKNQHXHSAU-UHFFFAOYSA-N 1 0 347.459 3.407 20 5 EGBDRO CC(C)(C)OC(=O)c1ccc(N[C@H]2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC001162399739 1382747293 /nfs/dbraw/zinc/74/72/93/1382747293.db2.gz DGUFYFOYCFRZKK-NEPJUHHUSA-N 1 0 335.404 3.232 20 5 EGBDRO C[C@H]1C[NH2+]CCC[C@@H]1CNc1ncc(F)c2cc([N+](=O)[O-])ccc21 ZINC001162461883 1382764347 /nfs/dbraw/zinc/76/43/47/1382764347.db2.gz RPSLCFVSXOWJRL-NWDGAFQWSA-N 1 0 332.379 3.330 20 5 EGBDRO O=[N+]([O-])/C=C/c1ccc(Cl)cc1NC[C@]1(F)CCCC[NH2+]C1 ZINC001162587556 1382800175 /nfs/dbraw/zinc/80/01/75/1382800175.db2.gz UESSFBLJIOBFOF-PXTSUWAFSA-N 1 0 327.787 3.481 20 5 EGBDRO CCCC(C[NH3+])(CCC)Nc1cc(/C=C/N(C)C)c([N+](=O)[O-])cn1 ZINC001163041015 1382953762 /nfs/dbraw/zinc/95/37/62/1382953762.db2.gz ZSGAQGQWMIBKRZ-JXMROGBWSA-N 1 0 335.452 3.232 20 5 EGBDRO [NH3+]Cc1ccc(-c2cn(-c3ccc4ccc([N+](=O)[O-])cc4n3)cn2)cc1 ZINC001163214910 1382994633 /nfs/dbraw/zinc/99/46/33/1382994633.db2.gz AOOURLKUIRBABM-UHFFFAOYSA-N 1 0 345.362 3.454 20 5 EGBDRO C[C@@H]1CC[C@@H](C[NH3+])CN1c1ccc2c(ccc(Cl)c2[N+](=O)[O-])n1 ZINC001164468527 1383189718 /nfs/dbraw/zinc/18/97/18/1383189718.db2.gz RYKNERIXIPAPFR-MNOVXSKESA-N 1 0 334.807 3.360 20 5 EGBDRO CC[NH+]1CCC(N(C)c2nc(Cl)nc3ccc([N+](=O)[O-])cc32)CC1 ZINC001165068342 1383220998 /nfs/dbraw/zinc/22/09/98/1383220998.db2.gz RDTWJITYIPLWAG-UHFFFAOYSA-N 1 0 349.822 3.112 20 5 EGBDRO CC[NH+]1CCC(N(C)c2nc(Cl)c(Cl)cc2[N+](=O)[O-])CC1 ZINC001165068167 1383221217 /nfs/dbraw/zinc/22/12/17/1383221217.db2.gz MMXRXCVZVAPPIR-UHFFFAOYSA-N 1 0 333.219 3.217 20 5 EGBDRO O=[N+]([O-])c1ccc2c(ccnc2N2CCC3(CCCC[NH2+]3)CC2)c1 ZINC001165247336 1383257857 /nfs/dbraw/zinc/25/78/57/1383257857.db2.gz ZZFRYNRDPWDIKB-UHFFFAOYSA-N 1 0 326.400 3.256 20 5 EGBDRO COc1cc([N+](=O)[O-])cnc1NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC001166866161 1383489736 /nfs/dbraw/zinc/48/97/36/1383489736.db2.gz XNCBOULMNSRVMF-INIZCTEOSA-N 1 0 342.399 3.247 20 5 EGBDRO Cc1nc(-n2c3ccc(F)cc3c3c2CC[NH2+]C3)ccc1[N+](=O)[O-] ZINC001167085621 1383536703 /nfs/dbraw/zinc/53/67/03/1383536703.db2.gz SLIIOWVLPAHGBB-UHFFFAOYSA-N 1 0 326.331 3.027 20 5 EGBDRO [NH3+]Cc1cnc2c(ccn2-c2ncc(F)c3cc([N+](=O)[O-])ccc32)c1 ZINC001167308836 1383592397 /nfs/dbraw/zinc/59/23/97/1383592397.db2.gz ZTXYVSRBPXTBJW-UHFFFAOYSA-N 1 0 337.314 3.080 20 5 EGBDRO NC(=[NH2+])N(c1ccc(F)cc1)c1ccc([N+](=O)[O-])c2cnccc21 ZINC001167992042 1383789977 /nfs/dbraw/zinc/78/99/77/1383789977.db2.gz LNNCSWRQTSJLGG-UHFFFAOYSA-N 1 0 325.303 3.314 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2cccc(Br)c2F)C1 ZINC001168958953 1384070773 /nfs/dbraw/zinc/07/07/73/1384070773.db2.gz RJJIJFBWIVEYEE-KOLCDFICSA-N 1 0 331.185 3.123 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2cc(F)ccc2OC(F)(F)F)C1 ZINC001168960153 1384072028 /nfs/dbraw/zinc/07/20/28/1384072028.db2.gz ZVTMPRORCGXFMM-CABZTGNLSA-N 1 0 336.285 3.259 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H](c2ccccc2F)C2CCOCC2)C1 ZINC001168981146 1384077850 /nfs/dbraw/zinc/07/78/50/1384077850.db2.gz GKJQVOLVBBMYFX-SIIHOXLZSA-N 1 0 336.407 3.328 20 5 EGBDRO Cc1ccc(F)cc1CN1CCC([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168997103 1384082148 /nfs/dbraw/zinc/08/21/48/1384082148.db2.gz XSZVTYUGSZEPRS-BEFAXECRSA-N 1 0 349.450 3.134 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2c(F)cccc2Br)C1 ZINC001169000991 1384084171 /nfs/dbraw/zinc/08/41/71/1384084171.db2.gz CCPWTEMQQLRHIC-ZJUUUORDSA-N 1 0 331.185 3.123 20 5 EGBDRO O=C(OCc1ccccc1)[C@@H]1CCCC[N@H+]1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169007748 1384087465 /nfs/dbraw/zinc/08/74/65/1384087465.db2.gz PYTFDJLEYJXRAQ-KSZLIROESA-N 1 0 346.427 3.030 20 5 EGBDRO C[N@H+](Cc1ccc(Br)cc1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169023884 1384092105 /nfs/dbraw/zinc/09/21/05/1384092105.db2.gz GDRDITBJKAFMSH-TZMCWYRMSA-N 1 0 327.222 3.326 20 5 EGBDRO COC(=O)c1ccc(C2CC[NH+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)cc1 ZINC001169035247 1384095798 /nfs/dbraw/zinc/09/57/98/1384095798.db2.gz JQKWNHNHMDHPKU-KSSFIOAISA-N 1 0 346.427 3.098 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CC3(CC(OCc4ccccc4)C3)C2)C1 ZINC001169039917 1384098021 /nfs/dbraw/zinc/09/80/21/1384098021.db2.gz VTIVMKXJDCGVSU-SJORKVTESA-N 1 0 330.428 3.113 20 5 EGBDRO COC(=O)c1cccc(C2CC[NH+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)c1 ZINC001169039678 1384098027 /nfs/dbraw/zinc/09/80/27/1384098027.db2.gz SCOYDXQOLDAHPQ-KDOFPFPSSA-N 1 0 346.427 3.098 20 5 EGBDRO CN(Cc1ccccc1F)C1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169043813 1384099545 /nfs/dbraw/zinc/09/95/45/1384099545.db2.gz HUWBZRZXYOVAMU-QAPCUYQASA-N 1 0 349.450 3.167 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+](CCCCCCO)Cc2ccccc2)C1 ZINC001169046945 1384100095 /nfs/dbraw/zinc/10/00/95/1384100095.db2.gz PBJBARTXAHAGHB-MOPGFXCFSA-N 1 0 334.460 3.487 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2Cc3cnc(-c4ccc(F)cc4)nc3C2)C1 ZINC001169046956 1384100390 /nfs/dbraw/zinc/10/03/90/1384100390.db2.gz PDDQJWBZRAOLNU-WBMJQRKESA-N 1 0 342.374 3.044 20 5 EGBDRO CCOC(=O)C1([N@H+](Cc2ccccc2)[C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169050592 1384100432 /nfs/dbraw/zinc/10/04/32/1384100432.db2.gz BRKHDTNRTHPCLS-SJORKVTESA-N 1 0 346.427 3.030 20 5 EGBDRO COC(=O)c1cccc([C@@H]2CCC[N@@H+]2[C@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001169056311 1384101424 /nfs/dbraw/zinc/10/14/24/1384101424.db2.gz RMUDJPHSQDFMCU-COXVUDFISA-N 1 0 332.400 3.056 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+][C@@H](CCO)c2ccccc2)c([N+](=O)[O-])c1 ZINC001170295243 1384284824 /nfs/dbraw/zinc/28/48/24/1384284824.db2.gz BUTTUVPSWPTHRJ-KSSFIOAISA-N 1 0 344.411 3.248 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+]Cc2c(C)cc(C)[nH]c2=O)c([N+](=O)[O-])c1 ZINC001170298933 1384284893 /nfs/dbraw/zinc/28/48/93/1384284893.db2.gz OLRDVCWNPYKZDN-LBPRGKRZSA-N 1 0 345.399 3.042 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2ccc(F)cc2OC)c([N+](=O)[O-])c1 ZINC001170304302 1384286709 /nfs/dbraw/zinc/28/67/09/1384286709.db2.gz BFOCCBUTWSZEKD-GFCCVEGCSA-N 1 0 348.374 3.472 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+][C@H]2CCN(CC(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC001170317681 1384289706 /nfs/dbraw/zinc/28/97/06/1384289706.db2.gz JFGXNPXDSXMUBD-ZBFHGGJFSA-N 1 0 349.475 3.244 20 5 EGBDRO CCC(CC)N1CC[C@H]([NH2+][C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170318954 1384289726 /nfs/dbraw/zinc/28/97/26/1384289726.db2.gz TYDNXIBOQVPTDB-HOCLYGCPSA-N 1 0 349.475 3.387 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+][C@H](C)Cc2ccc(O)cc2)c([N+](=O)[O-])c1 ZINC001170319639 1384289906 /nfs/dbraw/zinc/28/99/06/1384289906.db2.gz XUCRYEBXFIHDQM-KGLIPLIRSA-N 1 0 344.411 3.461 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+][C@H](CO)c2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC001170327938 1384291886 /nfs/dbraw/zinc/29/18/86/1384291886.db2.gz SQWIDWPKBCNPME-KBXCAEBGSA-N 1 0 344.411 3.166 20 5 EGBDRO COc1ccc(C[C@H](C)N2CCC([N@H+](C)C3CC3)CC2)c([N+](=O)[O-])c1 ZINC001170351794 1384298237 /nfs/dbraw/zinc/29/82/37/1384298237.db2.gz JDYAJIFIUZHYBC-AWEZNQCLSA-N 1 0 347.459 3.093 20 5 EGBDRO COc1ccc(C[C@H](C)[N@@H+]2CC[C@]3(C2)CCCOC3)c([N+](=O)[O-])c1 ZINC001170351401 1384298686 /nfs/dbraw/zinc/29/86/86/1384298686.db2.gz GAHBNBBLCONBPI-KSSFIOAISA-N 1 0 334.416 3.037 20 5 EGBDRO COc1ccc2c(c1)C[C@@H](Nc1cc3c(cc1[N+](=O)[O-])C[NH2+]C3)CC2 ZINC001170412005 1384311677 /nfs/dbraw/zinc/31/16/77/1384311677.db2.gz CJKNGSMLHDSMEH-INIZCTEOSA-N 1 0 339.395 3.176 20 5 EGBDRO C[C@H]([NH3+])c1ncc(-c2ccccc2)n1-c1ccc2nc[nH]c2c1[N+](=O)[O-] ZINC001170686017 1384366221 /nfs/dbraw/zinc/36/62/21/1384366221.db2.gz KLDKYXQGMIWNFJ-NSHDSACASA-N 1 0 348.366 3.344 20 5 EGBDRO [NH3+][C@H]1CCc2c3ccccc3n(-c3cccc4ncc([N+](=O)[O-])n43)c2C1 ZINC001171099816 1384445714 /nfs/dbraw/zinc/44/57/14/1384445714.db2.gz PXEAUWSBPWYIHC-LBPRGKRZSA-N 1 0 347.378 3.002 20 5 EGBDRO [NH3+]C[C@@H]1COc2ccccc2N1c1cc(Cl)ccc1/C=C/[N+](=O)[O-] ZINC001171392945 1384511429 /nfs/dbraw/zinc/51/14/29/1384511429.db2.gz ICPUQCDWBBHGNG-HSBSLETESA-N 1 0 345.786 3.445 20 5 EGBDRO CC[N+](C)(C)Cc1ccccc1NC(C)(C)CC(=O)N1CCCC1 ZINC001171491620 1384539997 /nfs/dbraw/zinc/53/99/97/1384539997.db2.gz DTUOHHIEGRURNT-UHFFFAOYSA-N 1 0 332.512 3.486 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]Cc1ccc3nonc3c1)CC2 ZINC001172898627 1384873589 /nfs/dbraw/zinc/87/35/89/1384873589.db2.gz ICWPZTPXIMTXIO-HNNXBMFYSA-N 1 0 338.367 3.168 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]CCc1ccc(CO)cc1)CC2 ZINC001172902566 1384874737 /nfs/dbraw/zinc/87/47/37/1384874737.db2.gz FBXATDJUQYTVSD-IBGZPJMESA-N 1 0 340.423 3.167 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]C[C@H](O)C1CCCCC1)CC2 ZINC001172912121 1384876329 /nfs/dbraw/zinc/87/63/29/1384876329.db2.gz MFERHKMUNHMPHJ-MJGOQNOKSA-N 1 0 332.444 3.373 20 5 EGBDRO COc1cncc(CC[NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)c1 ZINC001172912337 1384876445 /nfs/dbraw/zinc/87/64/45/1384876445.db2.gz NEUSVCUFUDCXAM-QGZVFWFLSA-N 1 0 341.411 3.078 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]C[C@H](O)c1ccccc1F)CC2 ZINC001172913118 1384876638 /nfs/dbraw/zinc/87/66/38/1384876638.db2.gz TZLOWCARQPJOHC-BEFAXECRSA-N 1 0 344.386 3.305 20 5 EGBDRO O=C1C[C@H]2CCC[C@@H](C1)[N@H+]2[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172914820 1384877793 /nfs/dbraw/zinc/87/77/93/1384877793.db2.gz JMZLOMSKKJVKSA-ZACQAIPSSA-N 1 0 328.412 3.428 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H](n1cncc1C1CC[NH2+]CC1)CC2 ZINC001172919300 1384878220 /nfs/dbraw/zinc/87/82/20/1384878220.db2.gz FMXCSIPWVNCZSK-QGZVFWFLSA-N 1 0 340.427 3.378 20 5 EGBDRO C[NH2+]CCc1c(C)nn([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)c1C ZINC001172918508 1384878567 /nfs/dbraw/zinc/87/85/67/1384878567.db2.gz BHRJFKFSWNOBFS-QGZVFWFLSA-N 1 0 342.443 3.290 20 5 EGBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH2+]C[C@H]3C[C@H](F)C3)CC2)c(F)c1 ZINC001173011176 1384897870 /nfs/dbraw/zinc/89/78/70/1384897870.db2.gz SVDYKKFPIASSKT-XYPYZODXSA-N 1 0 343.349 3.180 20 5 EGBDRO COC[C@@H]1CCCC[N@@H+]1[C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173178292 1384931481 /nfs/dbraw/zinc/93/14/81/1384931481.db2.gz AEKMZAMDBZLUBS-OLZOCXBDSA-N 1 0 340.395 3.174 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]Cc2ccc(C)cn2)c1F ZINC001173176879 1384931990 /nfs/dbraw/zinc/93/19/90/1384931990.db2.gz NFBQUXBHYTVVFC-GFCCVEGCSA-N 1 0 333.363 3.167 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CCCc2cccnc2)c1F ZINC001173181077 1384932212 /nfs/dbraw/zinc/93/22/12/1384932212.db2.gz AQRIIRQZTURDGK-ZDUSSCGKSA-N 1 0 347.390 3.291 20 5 EGBDRO CCCO[C@@H]1CC[N@@H+]([C@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C1 ZINC001173190940 1384932982 /nfs/dbraw/zinc/93/29/82/1384932982.db2.gz XVVSPMOZQQNYIJ-CHWSQXEVSA-N 1 0 340.395 3.174 20 5 EGBDRO CCO[C@H]1CCC[N@@H+]([C@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C1 ZINC001173190759 1384932993 /nfs/dbraw/zinc/93/29/93/1384932993.db2.gz WTOSIGKMHAZCPL-OLZOCXBDSA-N 1 0 340.395 3.174 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2CCc3ccncc3C2)c1F ZINC001173188942 1384933128 /nfs/dbraw/zinc/93/31/28/1384933128.db2.gz IFGSHASOYHNJSY-GFCCVEGCSA-N 1 0 345.374 3.127 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CCc2cc(C)ccn2)c1F ZINC001173192554 1384933953 /nfs/dbraw/zinc/93/39/53/1384933953.db2.gz QQAGZDDAVBXYNO-ZDUSSCGKSA-N 1 0 347.390 3.209 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc(-c2ncon2)cc1 ZINC001173215651 1384937615 /nfs/dbraw/zinc/93/76/15/1384937615.db2.gz XTZQKAVSYSNQAY-CYBMUJFWSA-N 1 0 338.367 3.366 20 5 EGBDRO COc1cccc2c1OC[C@H]2[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173223982 1384939005 /nfs/dbraw/zinc/93/90/05/1384939005.db2.gz CSPGRBHPVOUVDZ-BLLLJJGKSA-N 1 0 328.368 3.258 20 5 EGBDRO CC(C)[C@@H]([NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1)c1cccc(N)n1 ZINC001173224414 1384939086 /nfs/dbraw/zinc/93/90/86/1384939086.db2.gz FOEWXLKJIVIOHV-SCLBCKFNSA-N 1 0 328.416 3.490 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCN(c2ccccn2)CC1 ZINC001173226183 1384939600 /nfs/dbraw/zinc/93/96/00/1384939600.db2.gz LFQQBFMOTATOLU-INIZCTEOSA-N 1 0 340.427 3.133 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC001173226427 1384939979 /nfs/dbraw/zinc/93/99/79/1384939979.db2.gz KDENFTQOTLDFTQ-KSSFIOAISA-N 1 0 327.384 3.074 20 5 EGBDRO CCOCc1noc2c1C[N@@H+]([C@H](C)Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC001173229258 1384940824 /nfs/dbraw/zinc/94/08/24/1384940824.db2.gz WHVKMPFMBPPRGZ-CYBMUJFWSA-N 1 0 345.399 3.109 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](CO)Cc1cccc(Cl)c1 ZINC001173232852 1384941551 /nfs/dbraw/zinc/94/15/51/1384941551.db2.gz GGYDCJYBCYAODP-DYVFJYSZSA-N 1 0 348.830 3.372 20 5 EGBDRO CCCCOC(=O)[C@H]1CC[N@@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173236844 1384942282 /nfs/dbraw/zinc/94/22/82/1384942282.db2.gz FNUQEABJSQTKPE-HOCLYGCPSA-N 1 0 334.416 3.191 20 5 EGBDRO CC(C)=CC(=O)NCCCCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001177824400 1386057704 /nfs/dbraw/zinc/05/77/04/1386057704.db2.gz KZQZGQIIOWDZCM-UHFFFAOYSA-N 1 0 339.461 3.389 20 5 EGBDRO C/C=C(/C)C(=O)NCCCCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001178144947 1386142053 /nfs/dbraw/zinc/14/20/53/1386142053.db2.gz ZUYZSXPCGMWRKI-DXNYSGJVSA-N 1 0 339.461 3.389 20 5 EGBDRO O=C(CCCF)NCCCCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001179268835 1386435402 /nfs/dbraw/zinc/43/54/02/1386435402.db2.gz CBFBAKJZKPEZNU-UHFFFAOYSA-N 1 0 339.411 3.111 20 5 EGBDRO Cc1c([C@H](C)[NH2+]CCC(=O)N2CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC001320668756 1386685970 /nfs/dbraw/zinc/68/59/70/1386685970.db2.gz CUIRJZOXCPGDOM-ZFWWWQNUSA-N 1 0 333.432 3.202 20 5 EGBDRO COc1cc(NC2CCN(c3cc[nH+]cc3)CC2)c([N+](=O)[O-])cc1C ZINC001337443025 1389346576 /nfs/dbraw/zinc/34/65/76/1389346576.db2.gz QBPBZCASFMHEFF-UHFFFAOYSA-N 1 0 342.399 3.388 20 5 EGBDRO C[N@@H+]1CCC[C@@H]2CN(c3ncc([N+](=O)[O-])c4ccccc43)CC[C@H]21 ZINC001331120369 1389632137 /nfs/dbraw/zinc/63/21/37/1389632137.db2.gz TUTWQIFGJYOGIF-CZUORRHYSA-N 1 0 326.400 3.064 20 5 EGBDRO O=[N+]([O-])c1cnc(N2CC[C@@H](C[NH+]3CCCC3)C2)c2ccccc21 ZINC001331568156 1389806111 /nfs/dbraw/zinc/80/61/11/1389806111.db2.gz GMQXQEPUUJEDHQ-AWEZNQCLSA-N 1 0 326.400 3.065 20 5 EGBDRO Cc1ccccc1C[N@@H+]1CCCN(c2c(C)cncc2[N+](=O)[O-])CC1 ZINC001346018840 1390901356 /nfs/dbraw/zinc/90/13/56/1390901356.db2.gz TXSOFVUOFIXPQR-UHFFFAOYSA-N 1 0 340.427 3.319 20 5 EGBDRO CC[NH+](CC)CC[C@H](C)NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC001348360005 1391209567 /nfs/dbraw/zinc/20/95/67/1391209567.db2.gz AZWZQUVFLXIXJC-NSHDSACASA-N 1 0 327.812 3.098 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1-c1noc(C[C@@H](C)[C@H]2CCC[NH2+]C2)n1 ZINC001349330373 1391321647 /nfs/dbraw/zinc/32/16/47/1391321647.db2.gz IOVSFPGWDBNBRH-RISCZKNCSA-N 1 0 344.415 3.440 20 5 EGBDRO CCC(C)(C)[NH+]1CCN(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)CC1 ZINC001353394250 1392001905 /nfs/dbraw/zinc/00/19/05/1392001905.db2.gz DHUKOUPUOYNBNU-UHFFFAOYSA-N 1 0 338.383 3.072 20 5 EGBDRO CN(CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)C1CC2(CCC2)C1 ZINC001753860570 1440511268 /nfs/dbraw/zinc/51/12/68/1440511268.db2.gz CSGQREWNMJVBCV-UHFFFAOYSA-N 1 0 345.443 3.065 20 5 EGBDRO CN(CCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cccs1 ZINC001755032661 1440732504 /nfs/dbraw/zinc/73/25/04/1440732504.db2.gz UFLOPHGTPYJVRQ-UHFFFAOYSA-N 1 0 347.440 3.250 20 5 EGBDRO O=[N+]([O-])c1c(Cl)ccnc1N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001165048287 721965430 /nfs/dbraw/zinc/96/54/30/721965430.db2.gz YEPMPMGPICILGA-ZDUSSCGKSA-N 1 0 338.839 3.488 20 5 EGBDRO C[C@@H](Nc1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000050163926 214048194 /nfs/dbraw/zinc/04/81/94/214048194.db2.gz JOTMVZPVODOONC-NXEZZACHSA-N 1 0 328.210 3.157 20 5 EGBDRO CSc1cccc(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000376409285 295680568 /nfs/dbraw/zinc/68/05/68/295680568.db2.gz RRINFPIHWNSBJE-OLZOCXBDSA-N 1 0 349.456 3.016 20 5 EGBDRO O=C(NC1CC[NH+](C2CCCCC2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000177235018 231835527 /nfs/dbraw/zinc/83/55/27/231835527.db2.gz VRGXPPAJZLCYCK-UHFFFAOYSA-N 1 0 349.406 3.261 20 5 EGBDRO CCOc1cccc([C@@H](C)[NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000178206297 232107955 /nfs/dbraw/zinc/10/79/55/232107955.db2.gz LCAZPOHQJIRUFZ-CYBMUJFWSA-N 1 0 343.383 3.283 20 5 EGBDRO Cc1cc(C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc([N+](=O)[O-])c1 ZINC000181438593 234186660 /nfs/dbraw/zinc/18/66/60/234186660.db2.gz WVENXIRYBNNLLO-LSDHHAIUSA-N 1 0 345.443 3.286 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C)c1cccc(O)c1 ZINC000181521385 234216185 /nfs/dbraw/zinc/21/61/85/234216185.db2.gz FJUDHWDFZKSETJ-ZDUSSCGKSA-N 1 0 343.383 3.288 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)N[C@@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000181831797 234342333 /nfs/dbraw/zinc/34/23/33/234342333.db2.gz ZEYJJZAZZFHJAK-GJZGRUSLSA-N 1 0 341.411 3.431 20 5 EGBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2c2ccc([N+](=O)[O-])c3cnccc32)C1 ZINC000269083531 283161068 /nfs/dbraw/zinc/16/10/68/283161068.db2.gz GHSXKWNXUVFXLV-BBRMVZONSA-N 1 0 326.400 3.064 20 5 EGBDRO Cc1cncc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000189907292 237388864 /nfs/dbraw/zinc/38/88/64/237388864.db2.gz JGDQAWARSVGRIV-UHFFFAOYSA-N 1 0 327.384 3.342 20 5 EGBDRO C[C@@](O)(C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000130337557 223145271 /nfs/dbraw/zinc/14/52/71/223145271.db2.gz QJCMFDAKWIDSPJ-IDHHARJASA-N 1 0 344.411 3.396 20 5 EGBDRO COCc1ccc([C@H]2CCC[N@@H+]2C[C@H](O)c2cccc([N+](=O)[O-])c2)o1 ZINC000130963219 223191751 /nfs/dbraw/zinc/19/17/51/223191751.db2.gz MIZZHGRDTQOUKJ-SJORKVTESA-N 1 0 346.383 3.205 20 5 EGBDRO Nc1ccc([N+](=O)[O-])c(NCc2cccc(C[NH+]3CCCC3)c2)c1 ZINC000193383485 240138349 /nfs/dbraw/zinc/13/83/49/240138349.db2.gz HAZIWQGUWPUQLF-UHFFFAOYSA-N 1 0 326.400 3.385 20 5 EGBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@H](C[C@H]4CCOC4)C3)nc2c1 ZINC000375016616 242052322 /nfs/dbraw/zinc/05/23/22/242052322.db2.gz YTYVYLVQGATXHH-ZIAGYGMSSA-N 1 0 345.399 3.375 20 5 EGBDRO Cc1cc(NC2CC[NH+](C)CC2)c(Br)cc1[N+](=O)[O-] ZINC000234315147 242278304 /nfs/dbraw/zinc/27/83/04/242278304.db2.gz CARYXIBZABCPAE-UHFFFAOYSA-N 1 0 328.210 3.172 20 5 EGBDRO Cc1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)cc1[N+](=O)[O-] ZINC000246491537 243261788 /nfs/dbraw/zinc/26/17/88/243261788.db2.gz DRTPURJARMQLJJ-HNKHHVNMSA-N 1 0 331.416 3.001 20 5 EGBDRO Cc1cccc(C(=O)NCCCCC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000110436450 220036354 /nfs/dbraw/zinc/03/63/54/220036354.db2.gz MLOZHZNGORPUDU-UHFFFAOYSA-N 1 0 333.432 3.289 20 5 EGBDRO CC(C)(C)OC(=O)C1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000263870590 245787474 /nfs/dbraw/zinc/78/74/74/245787474.db2.gz FEIBIHDIRIQAQV-UHFFFAOYSA-N 1 0 334.416 3.191 20 5 EGBDRO Cc1nn(C)c(Nc2ccc(CC[NH+]3CCCC3)cc2)c1[N+](=O)[O-] ZINC000265161102 247260106 /nfs/dbraw/zinc/26/01/06/247260106.db2.gz WBGALNNYMNUSCX-UHFFFAOYSA-N 1 0 329.404 3.019 20 5 EGBDRO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC2(CC2)CC1 ZINC000378328650 169101448 /nfs/dbraw/zinc/10/14/48/169101448.db2.gz WPFDCPBYNLARSI-NSHDSACASA-N 1 0 337.807 3.451 20 5 EGBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000408258391 169167737 /nfs/dbraw/zinc/16/77/37/169167737.db2.gz WFRIWURHICBTII-NFAWXSAZSA-N 1 0 349.406 3.211 20 5 EGBDRO CC(=O)N1CC[C@H](C[N@@H+](C)Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000092101078 218119949 /nfs/dbraw/zinc/11/99/49/218119949.db2.gz GBCCZYLLJGGVNQ-MRXNPFEDSA-N 1 0 333.432 3.018 20 5 EGBDRO CNC(=O)CC1CC[NH+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000093588173 218233402 /nfs/dbraw/zinc/23/34/02/218233402.db2.gz CTRKCJUHKJYVPB-UHFFFAOYSA-N 1 0 333.432 3.066 20 5 EGBDRO CNC(=O)[C@@H](C)C[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000093898804 218255951 /nfs/dbraw/zinc/25/59/51/218255951.db2.gz ZEAXOOMPHXPWHA-LBPRGKRZSA-N 1 0 347.440 3.137 20 5 EGBDRO CN(C)[C@@H](C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccco1 ZINC000154065700 224197802 /nfs/dbraw/zinc/19/78/02/224197802.db2.gz WZUQKPMYNWICOO-WMZOPIPTSA-N 1 0 343.427 3.401 20 5 EGBDRO CN(C)[C@H](C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccco1 ZINC000154065792 224197869 /nfs/dbraw/zinc/19/78/69/224197869.db2.gz WZUQKPMYNWICOO-FUHWJXTLSA-N 1 0 343.427 3.401 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C)c1ccccc1 ZINC000181377839 533223528 /nfs/dbraw/zinc/22/35/28/533223528.db2.gz WIINZZCLOYIPLY-CYBMUJFWSA-N 1 0 343.383 3.283 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCC[C@H](C(=O)N(C)C)C1 ZINC000344818615 533410200 /nfs/dbraw/zinc/41/02/00/533410200.db2.gz FKMQERKHFXEUHR-NEXKZYMUSA-N 1 0 345.443 3.235 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H](C)[C@@H]1C ZINC000246631878 141020804 /nfs/dbraw/zinc/02/08/04/141020804.db2.gz HVILLHFTRWVEFQ-STQMWFEESA-N 1 0 335.404 3.052 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246831112 141037139 /nfs/dbraw/zinc/03/71/39/141037139.db2.gz OCWITYOQGKNKHN-KBXCAEBGSA-N 1 0 345.443 3.052 20 5 EGBDRO CC1(C)CCC[C@]1(O)C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000339469542 141117921 /nfs/dbraw/zinc/11/79/21/141117921.db2.gz QCWRJXQQQYVMQN-INIZCTEOSA-N 1 0 344.358 3.227 20 5 EGBDRO COc1ccc([C@@H](C)[NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000341212691 141138939 /nfs/dbraw/zinc/13/89/39/141138939.db2.gz QICWKQPPTPKDSV-CYBMUJFWSA-N 1 0 343.383 3.283 20 5 EGBDRO COc1ccc(NC(=O)CC[N@H+](C)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000344577546 141175596 /nfs/dbraw/zinc/17/55/96/141175596.db2.gz LYTYNFDIIWUJDT-UHFFFAOYSA-N 1 0 335.404 3.197 20 5 EGBDRO O=C1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CN1c1ccccc1Cl ZINC000346267473 141188631 /nfs/dbraw/zinc/18/86/31/141188631.db2.gz SUIHMODXZNONAL-ZDUSSCGKSA-N 1 0 345.786 3.143 20 5 EGBDRO CCOc1ccc(NC(=O)CN2CCC[C@@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000172855628 144030585 /nfs/dbraw/zinc/03/05/85/144030585.db2.gz IOCRBEQJGHWIGI-OLZOCXBDSA-N 1 0 335.404 3.052 20 5 EGBDRO CCS[C@H]1CC[C@@H]([N@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000173869999 144049822 /nfs/dbraw/zinc/04/98/22/144049822.db2.gz DFWLNVCGPPEYQZ-OLZOCXBDSA-N 1 0 337.445 3.139 20 5 EGBDRO C[C@H]1C[C@@H](NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC[N@@H+]1C ZINC000344610632 144198020 /nfs/dbraw/zinc/19/80/20/144198020.db2.gz AYRUXAOPTKYLDT-KBPBESRZSA-N 1 0 329.400 3.427 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](C)Cn1ccnc1C ZINC000344792447 144225335 /nfs/dbraw/zinc/22/53/35/144225335.db2.gz MSIMUQPFQXIPFF-KQGZCTBQSA-N 1 0 328.416 3.429 20 5 EGBDRO CCOCCC[N@@H+]1CC[C@H](N[C@H](C)c2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000266820887 286064647 /nfs/dbraw/zinc/06/46/47/286064647.db2.gz YZYKTRCQRRAJHJ-NUJGCVRESA-N 1 0 349.475 3.382 20 5 EGBDRO C[C@@H](CCO)[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000119625618 152218144 /nfs/dbraw/zinc/21/81/44/152218144.db2.gz QHALFUISNNLOHR-AWEZNQCLSA-N 1 0 329.400 3.223 20 5 EGBDRO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)C[C@@H]1CCCOC1 ZINC000119817544 152229590 /nfs/dbraw/zinc/22/95/90/152229590.db2.gz SJVRLBFKFVBWKF-NSHDSACASA-N 1 0 330.331 3.055 20 5 EGBDRO COC[C@@H](Cc1ccccc1)[N@H+](C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000191494972 153201726 /nfs/dbraw/zinc/20/17/26/153201726.db2.gz YTTSYCBEWYRMED-QGZVFWFLSA-N 1 0 344.411 3.293 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)n1 ZINC000268849243 292286514 /nfs/dbraw/zinc/28/65/14/292286514.db2.gz XTSOYUFSJMUGGV-JKSUJKDBSA-N 1 0 332.448 3.389 20 5 EGBDRO CC(C)[C@@](C)(O)C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000304069013 154066338 /nfs/dbraw/zinc/06/63/38/154066338.db2.gz UYSNFSUGCYAKHO-INIZCTEOSA-N 1 0 335.429 3.215 20 5 EGBDRO COc1ccccc1[C@H]1CCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000305184947 154088875 /nfs/dbraw/zinc/08/88/75/154088875.db2.gz PCKLLQZYSAOOQG-QZTJIDSGSA-N 1 0 342.395 3.474 20 5 EGBDRO C[C@H]1[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000310321920 154141645 /nfs/dbraw/zinc/14/16/45/154141645.db2.gz VFPANPQNDCAHDT-KXBFYZLASA-N 1 0 325.412 3.347 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000337353271 154301999 /nfs/dbraw/zinc/30/19/99/154301999.db2.gz BFHRVKZYOPYPAU-ZIAGYGMSSA-N 1 0 334.420 3.288 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCCC[C@@H]1OC(F)F ZINC000337395021 154331578 /nfs/dbraw/zinc/33/15/78/154331578.db2.gz IPZVLIIKRBRALX-OCCSQVGLSA-N 1 0 330.331 3.243 20 5 EGBDRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)Cc1ccccc1[N+](=O)[O-] ZINC000349065412 156341310 /nfs/dbraw/zinc/34/13/10/156341310.db2.gz ZRHVQWCXZPOSHV-UHFFFAOYSA-N 1 0 349.381 3.437 20 5 EGBDRO COc1cc(C[N@@H+]2CCC[C@H]2C2CCOCC2)c([N+](=O)[O-])cc1F ZINC000362182508 157061579 /nfs/dbraw/zinc/06/15/79/157061579.db2.gz RAYZIYMBPLCPHW-HNNXBMFYSA-N 1 0 338.379 3.134 20 5 EGBDRO Cc1ccc(C[N@H+](CCO)[C@@H]2CCc3ccccc32)cc1[N+](=O)[O-] ZINC000093387676 162008204 /nfs/dbraw/zinc/00/82/04/162008204.db2.gz GDCXFLOKEBVTJV-GOSISDBHSA-N 1 0 326.396 3.385 20 5 EGBDRO C[C@H]1C[C@H]1c1ccc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)o1 ZINC000093534470 162014843 /nfs/dbraw/zinc/01/48/43/162014843.db2.gz FFQLMUCBRQIKBC-HEHGZKQESA-N 1 0 342.399 3.393 20 5 EGBDRO Cc1c([C@@H](C)[NH2+]CCC(=O)NCc2ccccc2)cccc1[N+](=O)[O-] ZINC000129248165 162350107 /nfs/dbraw/zinc/35/01/07/162350107.db2.gz VPKDBCZMMLFRPY-OAHLLOKOSA-N 1 0 341.411 3.260 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H]1CC(C)C ZINC000130356929 162365443 /nfs/dbraw/zinc/36/54/43/162365443.db2.gz UXLAXTRVOGWNQL-CQSZACIVSA-N 1 0 349.431 3.443 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@@H](c3c(F)cccc3F)C2)c1 ZINC000248982803 163049186 /nfs/dbraw/zinc/04/91/86/163049186.db2.gz JHDNTFQEEQOZLY-CXAGYDPISA-N 1 0 348.349 3.396 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)cc1 ZINC000305052478 163073266 /nfs/dbraw/zinc/07/32/66/163073266.db2.gz NFFSUJKSQFEZTE-IAGOWNOFSA-N 1 0 330.384 3.318 20 5 EGBDRO CSc1ccc([C@@H](C)[NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 ZINC000337228676 163170349 /nfs/dbraw/zinc/17/03/49/163170349.db2.gz TZOOVJPYNOPCRE-LLVKDONJSA-N 1 0 345.424 3.266 20 5 EGBDRO Cc1cc(C(=O)Nc2cccc(OCC[NH+](C)C)c2)ccc1[N+](=O)[O-] ZINC000337247135 163177998 /nfs/dbraw/zinc/17/79/98/163177998.db2.gz HWCUKEXYLLHQQG-UHFFFAOYSA-N 1 0 343.383 3.096 20 5 EGBDRO CCCCOC1CC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000337259626 163183755 /nfs/dbraw/zinc/18/37/55/163183755.db2.gz WJLIEXWTJMETHB-UHFFFAOYSA-N 1 0 349.431 3.205 20 5 EGBDRO COCC1(CCNc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)CCC1 ZINC000338732758 163334065 /nfs/dbraw/zinc/33/40/65/163334065.db2.gz ABVXGPNISFNPFL-UHFFFAOYSA-N 1 0 329.400 3.492 20 5 EGBDRO Cc1ccc(C[NH2+]C[C@H](CO)c2ccccc2Cl)cc1[N+](=O)[O-] ZINC000342283112 163835803 /nfs/dbraw/zinc/83/58/03/163835803.db2.gz PNPAZYYEKKXCQW-CQSZACIVSA-N 1 0 334.803 3.422 20 5 EGBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccc(-n2cncn2)cc1 ZINC000344067668 164095247 /nfs/dbraw/zinc/09/52/47/164095247.db2.gz SDGMXHOBASQOMT-AWEZNQCLSA-N 1 0 337.383 3.069 20 5 EGBDRO CC[C@]1(C)CC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000344208037 164126917 /nfs/dbraw/zinc/12/69/17/164126917.db2.gz BKIRHMVHKRSVAI-QGZVFWFLSA-N 1 0 333.388 3.015 20 5 EGBDRO CC[NH+](CC)[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccco1 ZINC000344210497 164127671 /nfs/dbraw/zinc/12/76/71/164127671.db2.gz KLIQYUOJXFXMOM-HNNXBMFYSA-N 1 0 349.362 3.140 20 5 EGBDRO O=C(CC[N@@H+]1CCCc2ccccc2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000346178389 164357655 /nfs/dbraw/zinc/35/76/55/164357655.db2.gz IUOWBCRTTVYQBM-UHFFFAOYSA-N 1 0 339.395 3.372 20 5 EGBDRO C[C@@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](C)C1 ZINC000346226508 164359916 /nfs/dbraw/zinc/35/99/16/164359916.db2.gz XAJZBPJOBBJGHT-RYUDHWBXSA-N 1 0 339.823 3.098 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3C[C@@H]4CC[C@@H](O)[C@H]4C3)o2)cc1 ZINC000346334098 164370023 /nfs/dbraw/zinc/37/00/23/164370023.db2.gz NPOSDURZIQZIEJ-RRQGHBQHSA-N 1 0 328.368 3.058 20 5 EGBDRO CC(C)n1cc2c(n1)C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)CC2 ZINC000350252007 165023001 /nfs/dbraw/zinc/02/30/01/165023001.db2.gz OZLZFGFITHYTSO-AWEZNQCLSA-N 1 0 332.379 3.158 20 5 EGBDRO CC(C)CC[C@H]1CCCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000351670578 165126446 /nfs/dbraw/zinc/12/64/46/165126446.db2.gz VOBOOBBASWOVAN-MRXNPFEDSA-N 1 0 333.432 3.484 20 5 EGBDRO COc1cc(N(C)CC[NH+](C(C)C)C(C)C)c([N+](=O)[O-])cc1F ZINC000355586696 166251905 /nfs/dbraw/zinc/25/19/05/166251905.db2.gz PSZYDWFNSYTCTG-UHFFFAOYSA-N 1 0 327.400 3.298 20 5 EGBDRO CC(C)[NH+](CCN(C)C(=O)CCc1cccc([N+](=O)[O-])c1)C(C)C ZINC000355853881 166328327 /nfs/dbraw/zinc/32/83/27/166328327.db2.gz YYSZCPCJHPMXBU-UHFFFAOYSA-N 1 0 335.448 3.105 20 5 EGBDRO Cc1cccc(NCC[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])n1 ZINC000358392702 166850963 /nfs/dbraw/zinc/85/09/63/166850963.db2.gz DRSCMLNJUUFJQS-AWEZNQCLSA-N 1 0 328.416 3.321 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)ccc1CN[C@@H](CO)c1c(F)cccc1F ZINC000359523000 167178544 /nfs/dbraw/zinc/17/85/44/167178544.db2.gz RYYXKMXBHHUKJQ-ZDUSSCGKSA-N 1 0 342.729 3.350 20 5 EGBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000359767010 167227760 /nfs/dbraw/zinc/22/77/60/167227760.db2.gz VFRXYBWFUSBQAQ-CYBMUJFWSA-N 1 0 348.447 3.019 20 5 EGBDRO C[N@H+](Cc1ccccc1)[C@H](CNc1ncccc1[N+](=O)[O-])C1CC1 ZINC000359842530 167246960 /nfs/dbraw/zinc/24/69/60/167246960.db2.gz VUPZMSNJBXTQEU-QGZVFWFLSA-N 1 0 326.400 3.312 20 5 EGBDRO COc1ccc(C[NH+]2CCC(c3cc(C)n[nH]3)CC2)cc1[N+](=O)[O-] ZINC000360208402 167271717 /nfs/dbraw/zinc/27/17/17/167271717.db2.gz LMPBTTGLLMAAKQ-UHFFFAOYSA-N 1 0 330.388 3.015 20 5 EGBDRO CC1CCC([NH+]2CCN(Cc3c(F)cccc3[N+](=O)[O-])CC2)CC1 ZINC000360248220 167281451 /nfs/dbraw/zinc/28/14/51/167281451.db2.gz DTOQZARWNFNHMF-UHFFFAOYSA-N 1 0 335.423 3.430 20 5 EGBDRO CC(C)(CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)C[NH+]1CCCC1 ZINC000360589870 167365257 /nfs/dbraw/zinc/36/52/57/167365257.db2.gz YEPNLAMCLOVJTA-UHFFFAOYSA-N 1 0 345.399 3.193 20 5 EGBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC1(C)CC[NH+](C)CC1 ZINC000360953832 167459726 /nfs/dbraw/zinc/45/97/26/167459726.db2.gz JHIULXNEEODTBH-MRXNPFEDSA-N 1 0 347.459 3.012 20 5 EGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1cnc2n1CCCC2 ZINC000367438605 168226094 /nfs/dbraw/zinc/22/60/94/168226094.db2.gz OEUCSRYGLHFJQK-AWEZNQCLSA-N 1 0 328.416 3.239 20 5 EGBDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3ccc4occc4c3)CC2)n1 ZINC000368039786 168302192 /nfs/dbraw/zinc/30/21/92/168302192.db2.gz RUCFSDOIRJDGFR-UHFFFAOYSA-N 1 0 326.356 3.375 20 5 EGBDRO C[NH+](C)C1(CNc2c(Cl)cc([N+](=O)[O-])cc2Cl)CCOCC1 ZINC000124681295 222463461 /nfs/dbraw/zinc/46/34/61/222463461.db2.gz FWMHKZLUTUFFIU-UHFFFAOYSA-N 1 0 348.230 3.424 20 5 EGBDRO CC[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176220558 265163108 /nfs/dbraw/zinc/16/31/08/265163108.db2.gz VWXKGRONBFZRFI-IAGOWNOFSA-N 1 0 328.416 3.450 20 5 EGBDRO CCc1oc(C(=O)OC)cc1CN(C)Cc1ccccc1[N+](=O)[O-] ZINC000177021934 265223885 /nfs/dbraw/zinc/22/38/85/265223885.db2.gz VNLWDBSUSXMGCZ-UHFFFAOYSA-N 1 0 332.356 3.169 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C[NH+](C)C)ccc1C ZINC000177321328 265246877 /nfs/dbraw/zinc/24/68/77/265246877.db2.gz UTWAACMJXLVFRP-UHFFFAOYSA-N 1 0 343.383 3.226 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3C[C@@H]4CCCC[C@@H]4C3)n2)cc1 ZINC000177564780 265262679 /nfs/dbraw/zinc/26/26/79/265262679.db2.gz XCDLTWWTHNHJHS-OKILXGFUSA-N 1 0 328.372 3.267 20 5 EGBDRO Cc1ccc([C@@H](C)NC(=O)c2cccc(C[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000177866766 265281878 /nfs/dbraw/zinc/28/18/78/265281878.db2.gz CBWJWQBRSPXGOK-CQSZACIVSA-N 1 0 341.411 3.456 20 5 EGBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000184824937 265476852 /nfs/dbraw/zinc/47/68/52/265476852.db2.gz OTWXXPCMMRHJSZ-GDBMZVCRSA-N 1 0 349.475 3.256 20 5 EGBDRO COC(=O)N1CCC([C@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000186770357 265551314 /nfs/dbraw/zinc/55/13/14/265551314.db2.gz OXOZXBPPNVMMED-UONOGXRCSA-N 1 0 349.431 3.421 20 5 EGBDRO Cc1nc(C)c([C@@H](C)[N@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)s1 ZINC000269629445 266330423 /nfs/dbraw/zinc/33/04/23/266330423.db2.gz DZLPFPINDCLGKV-IAQYHMDHSA-N 1 0 335.429 3.395 20 5 EGBDRO Cc1ccccc1[C@H]1CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269672257 266337199 /nfs/dbraw/zinc/33/71/99/266337199.db2.gz VBGBZNSAUAQEIX-QFBILLFUSA-N 1 0 326.396 3.426 20 5 EGBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])[C@]12CCCO2 ZINC000273547313 267057034 /nfs/dbraw/zinc/05/70/34/267057034.db2.gz CECZSVOEHGQPOY-BZUAXINKSA-N 1 0 340.807 3.064 20 5 EGBDRO CCN(CCC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000276298782 267512236 /nfs/dbraw/zinc/51/22/36/267512236.db2.gz XYLNFTQBEOMFES-UHFFFAOYSA-N 1 0 347.337 3.027 20 5 EGBDRO CC[C@H]([NH2+][C@@H]1CCCN(c2ccnn2C)C1)c1cccc([N+](=O)[O-])c1 ZINC000278374249 267998411 /nfs/dbraw/zinc/99/84/11/267998411.db2.gz DRKMAZMFHCYMTB-WBVHZDCISA-N 1 0 343.431 3.038 20 5 EGBDRO Cc1c([C@@H](C)NCCC[N@@H+]2CCCO[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000278385797 268000932 /nfs/dbraw/zinc/00/09/32/268000932.db2.gz CNVGXATZDRWYFW-GDBMZVCRSA-N 1 0 335.448 3.055 20 5 EGBDRO O=[N+]([O-])c1cc(Br)ccc1N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000044680523 275132214 /nfs/dbraw/zinc/13/22/14/275132214.db2.gz IRAIHDQKPIJNHG-JTQLQIEISA-N 1 0 326.194 3.006 20 5 EGBDRO CCS[C@H]1CCC[C@H]1[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000284823330 275828979 /nfs/dbraw/zinc/82/89/79/275828979.db2.gz AGOSDIKTBOBSCB-KGLIPLIRSA-N 1 0 348.428 3.409 20 5 EGBDRO Cc1cc([N+](=O)[O-])cc(C(=O)Nc2ccccc2CC[NH+](C)C)c1F ZINC000284875254 275832490 /nfs/dbraw/zinc/83/24/90/275832490.db2.gz KSHQCHNALMBPBE-UHFFFAOYSA-N 1 0 345.374 3.399 20 5 EGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC(=O)N[C@H]1C(C)(C)C ZINC000285749591 275908213 /nfs/dbraw/zinc/90/82/13/275908213.db2.gz RVYWUUMMKOFZKJ-JCKWVBRZSA-N 1 0 347.459 3.199 20 5 EGBDRO CCS[C@@H]1CCC[C@@H]1[NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000286200693 275964407 /nfs/dbraw/zinc/96/44/07/275964407.db2.gz PZUWCYRLDNYMAC-BYCMXARLSA-N 1 0 337.445 3.186 20 5 EGBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1c1ccc([N+](=O)[O-])c2cnccc21 ZINC000286255839 275970612 /nfs/dbraw/zinc/97/06/12/275970612.db2.gz GHJNTFXQGWNDGP-KBPBESRZSA-N 1 0 326.400 3.206 20 5 EGBDRO C[NH+]1CCC(Oc2ccc(CNc3ncc([N+](=O)[O-])s3)cc2)CC1 ZINC000286531751 276012894 /nfs/dbraw/zinc/01/28/94/276012894.db2.gz SILCDLMURQUCPG-UHFFFAOYSA-N 1 0 348.428 3.136 20 5 EGBDRO CC(C)SCC[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000287074227 276079852 /nfs/dbraw/zinc/07/98/52/276079852.db2.gz OGSJLGFSXPNKFB-LBPRGKRZSA-N 1 0 325.434 3.043 20 5 EGBDRO C[C@H]([NH2+]C[C@]1(CO)C[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000289661726 276374086 /nfs/dbraw/zinc/37/40/86/276374086.db2.gz GTNQRKSFZYVZQG-JVPBZIDWSA-N 1 0 326.396 3.412 20 5 EGBDRO CCC(=O)N1CC[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000290799983 276543299 /nfs/dbraw/zinc/54/32/99/276543299.db2.gz FCHRSVLIJHDXRF-LLVKDONJSA-N 1 0 346.214 3.002 20 5 EGBDRO C[NH2+]C[C@H]1CCCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000347019989 277283293 /nfs/dbraw/zinc/28/32/93/277283293.db2.gz MOEPJHIPPGSVPU-CQSZACIVSA-N 1 0 329.400 3.286 20 5 EGBDRO C[C@@H]([NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C(=O)N1CCCCC1 ZINC000359026660 278367703 /nfs/dbraw/zinc/36/77/03/278367703.db2.gz FPZAUTZTHKMIEL-CXAGYDPISA-N 1 0 345.443 3.308 20 5 EGBDRO C[C@H]([NH2+]Cc1ccccc1N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000066989854 307364250 /nfs/dbraw/zinc/36/42/50/307364250.db2.gz OHDDNZQSMGGOAI-HNNXBMFYSA-N 1 0 341.411 3.282 20 5 EGBDRO Cc1ccc([C@@H](CNC(=O)c2cccc(C)c2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000067268251 307365190 /nfs/dbraw/zinc/36/51/90/307365190.db2.gz GIYZLOBRCZUGMD-QGZVFWFLSA-N 1 0 341.411 3.244 20 5 EGBDRO C[C@@H](C(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])[N@H+]1[C@H](C)CC[C@@H]1C ZINC000413823414 309049078 /nfs/dbraw/zinc/04/90/78/309049078.db2.gz AANKHHICSADQPF-MJBXVCDLSA-N 1 0 333.432 3.207 20 5 EGBDRO CCOc1ccc([C@H](C)[NH2+]Cc2ccc(OC)nc2)cc1[N+](=O)[O-] ZINC000152761987 307759313 /nfs/dbraw/zinc/75/93/13/307759313.db2.gz JPSUVWCNQHWXNN-LBPRGKRZSA-N 1 0 331.372 3.248 20 5 EGBDRO C[C@H]([NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])c1ccn(C)n1 ZINC000414197407 309066368 /nfs/dbraw/zinc/06/63/68/309066368.db2.gz WKJSFLMLFFRQAI-VBQJREDUSA-N 1 0 328.416 3.390 20 5 EGBDRO CCn1ccc(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])n1 ZINC000414209237 309066836 /nfs/dbraw/zinc/06/68/36/309066836.db2.gz MWVGMHRKGHQFJI-PBHICJAKSA-N 1 0 328.416 3.312 20 5 EGBDRO C[C@H]([NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])C(=O)NC(C)(C)C ZINC000245566303 307953240 /nfs/dbraw/zinc/95/32/40/307953240.db2.gz XCSROSJUWCLQEC-DZKIICNBSA-N 1 0 347.459 3.199 20 5 EGBDRO O=C(/C=C\c1ccccc1[N+](=O)[O-])N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000255495441 308051811 /nfs/dbraw/zinc/05/18/11/308051811.db2.gz XCMGJTBACUULEH-IBSYWUHOSA-N 1 0 343.427 3.085 20 5 EGBDRO COc1cc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])cc(OC)c1O ZINC000292820680 308069323 /nfs/dbraw/zinc/06/93/23/308069323.db2.gz PXXBKLXEHODRBW-UHFFFAOYSA-N 1 0 346.383 3.343 20 5 EGBDRO CC[C@@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C(C)(C)O ZINC000293029809 308091926 /nfs/dbraw/zinc/09/19/26/308091926.db2.gz PQVNZYJSBSLNDH-CQSZACIVSA-N 1 0 335.429 3.357 20 5 EGBDRO CC(C)(CO)[C@@H]([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1CC1 ZINC000293138530 308103082 /nfs/dbraw/zinc/10/30/82/308103082.db2.gz SRJGZLWBSAQQPJ-INIZCTEOSA-N 1 0 345.399 3.137 20 5 EGBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2CC[C@@H](O)C23CCCC3)c1 ZINC000293533511 308139515 /nfs/dbraw/zinc/13/95/15/308139515.db2.gz JPJRVELOPYMACA-CQSZACIVSA-N 1 0 344.333 3.493 20 5 EGBDRO COCC1(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CCOCC1 ZINC000293685866 308152798 /nfs/dbraw/zinc/15/27/98/308152798.db2.gz NLEDGNFWSIRUTP-QGZVFWFLSA-N 1 0 348.443 3.350 20 5 EGBDRO CCc1ccc([C@@H](O)C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000293988200 308180586 /nfs/dbraw/zinc/18/05/86/308180586.db2.gz BUKPDRBQBUHNHA-SGTLLEGYSA-N 1 0 329.400 3.124 20 5 EGBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[NH2+][C@H]2CCC[C@@H]2CCO)c1 ZINC000294174379 308197207 /nfs/dbraw/zinc/19/72/07/308197207.db2.gz QCYCLAHDLMSQBY-YGRLFVJLSA-N 1 0 332.322 3.254 20 5 EGBDRO CC[NH+](CC)[C@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])c1ccsc1 ZINC000294554845 308231834 /nfs/dbraw/zinc/23/18/34/308231834.db2.gz RGJYZRRJNJSFQA-CQSZACIVSA-N 1 0 341.477 3.083 20 5 EGBDRO C[C@H](C[C@@H](O)c1ccccc1)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294776642 308255955 /nfs/dbraw/zinc/25/59/55/308255955.db2.gz NONXHMUCIFZRJS-SNUQEOBHSA-N 1 0 329.400 3.340 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC(C)(C)c1cccnc1 ZINC000414558189 309089277 /nfs/dbraw/zinc/08/92/77/309089277.db2.gz MQFKSGNINFZGLB-UHFFFAOYSA-N 1 0 329.400 3.456 20 5 EGBDRO Cc1nccnc1CC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000295002987 308280477 /nfs/dbraw/zinc/28/04/77/308280477.db2.gz MCOFCOLSLUQGSG-CRAIPNDOSA-N 1 0 340.427 3.237 20 5 EGBDRO Cc1ccccc1[C@@H]([NH3+])C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000295189078 308300820 /nfs/dbraw/zinc/30/08/20/308300820.db2.gz NUHITMLRZOMFKX-CXAGYDPISA-N 1 0 327.384 3.089 20 5 EGBDRO CC(C)C[C@@H]([NH3+])c1noc(C(C)(C)c2ccc([N+](=O)[O-])cc2F)n1 ZINC000414616850 309091757 /nfs/dbraw/zinc/09/17/57/309091757.db2.gz KLIFQRNMLRWDSB-CYBMUJFWSA-N 1 0 336.367 3.489 20 5 EGBDRO [NH3+]C1(c2noc(-c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)n2)CCC1 ZINC000414638717 309093060 /nfs/dbraw/zinc/09/30/60/309093060.db2.gz DOZXGVVSWUHXGX-UHFFFAOYSA-N 1 0 328.250 3.002 20 5 EGBDRO CC1(C)[C@H]([NH2+]Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H]2CCO[C@H]21 ZINC000296320070 308415241 /nfs/dbraw/zinc/41/52/41/308415241.db2.gz QFWFCTHSCIQBMP-BZUAXINKSA-N 1 0 343.383 3.153 20 5 EGBDRO CCC([NH3+])(CC)CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000414805556 309102571 /nfs/dbraw/zinc/10/25/71/309102571.db2.gz GMABYZIPWFXCFN-UHFFFAOYSA-N 1 0 334.445 3.325 20 5 EGBDRO COc1cccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000298879506 308646732 /nfs/dbraw/zinc/64/67/32/308646732.db2.gz NMUYWURZMIWSSM-STQMWFEESA-N 1 0 343.383 3.281 20 5 EGBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000299298167 308669051 /nfs/dbraw/zinc/66/90/51/308669051.db2.gz KZZRDRMWZZZGOJ-UHFFFAOYSA-N 1 0 346.431 3.371 20 5 EGBDRO Cc1noc(C)c1[C@H](C)C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000331422049 308806493 /nfs/dbraw/zinc/80/64/93/308806493.db2.gz IGJPTGLIQXRPLB-UGFHNGPFSA-N 1 0 347.419 3.273 20 5 EGBDRO Cc1nc(C)c(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)s1 ZINC000331608243 308811913 /nfs/dbraw/zinc/81/19/13/308811913.db2.gz MBTBQRCOEMELAN-OLZOCXBDSA-N 1 0 335.433 3.138 20 5 EGBDRO C[NH+](C)CC[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000412120879 308970079 /nfs/dbraw/zinc/97/00/79/308970079.db2.gz COOGDBNTVLQURQ-BBWFWOEESA-N 1 0 347.459 3.181 20 5 EGBDRO C[NH+](C)Cc1ccc(NC(=O)CCc2cccc([N+](=O)[O-])c2)c(F)c1 ZINC000412556645 308991101 /nfs/dbraw/zinc/99/11/01/308991101.db2.gz GAOKRDDKEBYSJB-UHFFFAOYSA-N 1 0 345.374 3.367 20 5 EGBDRO C[NH+](C)[C@H](CNc1ncc([N+](=O)[O-])cc1C(F)(F)F)c1ccco1 ZINC000413025666 309012167 /nfs/dbraw/zinc/01/21/67/309012167.db2.gz RRUKYUXFTAXVMN-LLVKDONJSA-N 1 0 344.293 3.316 20 5 EGBDRO O=[N+]([O-])c1cnc(N2CCC[C@@H]([NH+]3CCCC3)C2)c(C(F)(F)F)c1 ZINC000413069895 309014640 /nfs/dbraw/zinc/01/46/40/309014640.db2.gz ZGNZJIAGUWZVHR-LLVKDONJSA-N 1 0 344.337 3.073 20 5 EGBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2c2ccc([N+](=O)[O-])c3ncccc23)C1 ZINC000413192379 309020554 /nfs/dbraw/zinc/02/05/54/309020554.db2.gz IQDMLFFQTKNRDW-DZGCQCFKSA-N 1 0 326.400 3.064 20 5 EGBDRO C[C@H]1C[N@H+](CCCNc2ccc([N+](=O)[O-])c3ncccc23)CCCO1 ZINC000413258769 309023829 /nfs/dbraw/zinc/02/38/29/309023829.db2.gz FVENIGZYJKVZIA-AWEZNQCLSA-N 1 0 344.415 3.056 20 5 EGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1NCCc2ccccc21 ZINC000414959545 309111701 /nfs/dbraw/zinc/11/17/01/309111701.db2.gz SKILWAXNFPKGIG-HNAYVOBHSA-N 1 0 339.439 3.393 20 5 EGBDRO CC[NH2+]Cc1cccc(NC(=O)NCCc2ccccc2[N+](=O)[O-])c1 ZINC000415909483 309147798 /nfs/dbraw/zinc/14/77/98/309147798.db2.gz SXAHLPLMUYLNPI-UHFFFAOYSA-N 1 0 342.399 3.069 20 5 EGBDRO C[NH2+]Cc1cccc(NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000415940087 309150251 /nfs/dbraw/zinc/15/02/51/309150251.db2.gz DLMWXOFHXUQHCW-UHFFFAOYSA-N 1 0 342.399 3.371 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCn1cnnc1C1CC1)CCCC2 ZINC000417312539 309201207 /nfs/dbraw/zinc/20/12/07/309201207.db2.gz SLRSKZOFIZIJSR-QGZVFWFLSA-N 1 0 341.415 3.121 20 5 EGBDRO NC(=O)c1cccc(C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000417324134 309201725 /nfs/dbraw/zinc/20/17/25/309201725.db2.gz PQSUEAZMCKVQJK-GOSISDBHSA-N 1 0 339.395 3.251 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCn3ccnc3C1)CCCC2 ZINC000417342322 309202320 /nfs/dbraw/zinc/20/23/20/309202320.db2.gz MMVACXRRAVBADU-RHSMWYFYSA-N 1 0 326.400 3.163 20 5 EGBDRO COc1c(C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)c(C)nn1C ZINC000417344816 309202423 /nfs/dbraw/zinc/20/24/23/309202423.db2.gz QSTQMMVEDJFLTC-KRWDZBQOSA-N 1 0 344.415 3.203 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCN(CC(F)F)C1)CCCC2 ZINC000417380689 309203722 /nfs/dbraw/zinc/20/37/22/309203722.db2.gz HRIMLPBWRNRTPV-CZUORRHYSA-N 1 0 339.386 3.291 20 5 EGBDRO COc1cc(CN(C)C(C)(C)C[NH+]2CCCC2)c([N+](=O)[O-])cc1F ZINC000419364239 309265316 /nfs/dbraw/zinc/26/53/16/309265316.db2.gz DTKKKQYVQKVUJB-UHFFFAOYSA-N 1 0 339.411 3.049 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCSC[C@@H]1C1CCC1 ZINC000419369693 309265599 /nfs/dbraw/zinc/26/55/99/309265599.db2.gz FRNCGZLTWDDSPV-OAHLLOKOSA-N 1 0 349.456 3.059 20 5 EGBDRO C[C@H]1CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)[C@H](C[NH3+])C1 ZINC000420268327 309278747 /nfs/dbraw/zinc/27/87/47/309278747.db2.gz YZGOIZLOKIUGAU-ZFWWWQNUSA-N 1 0 326.400 3.220 20 5 EGBDRO CCOC(=O)c1cc(NC2CCC([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000420619602 309290411 /nfs/dbraw/zinc/29/04/11/309290411.db2.gz ABEGHESREPETQV-UHFFFAOYSA-N 1 0 335.404 3.056 20 5 EGBDRO CC(=O)N[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000421385854 309322084 /nfs/dbraw/zinc/32/20/84/309322084.db2.gz GSKHNBUEIDTFOD-CYBMUJFWSA-N 1 0 345.424 3.034 20 5 EGBDRO CN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@@H]1CCC[N@@H+]1C ZINC000421406916 309323454 /nfs/dbraw/zinc/32/34/54/309323454.db2.gz IEAAFQWHOOLNAD-INIZCTEOSA-N 1 0 329.400 3.381 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000421495633 309327069 /nfs/dbraw/zinc/32/70/69/309327069.db2.gz JZKJYOXFCUMYBW-AWEZNQCLSA-N 1 0 333.432 3.014 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000421750218 309338263 /nfs/dbraw/zinc/33/82/63/309338263.db2.gz UDRHOISYMXVKOG-OAHLLOKOSA-N 1 0 333.432 3.062 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000421772000 309339480 /nfs/dbraw/zinc/33/94/80/309339480.db2.gz FWCXHNNDWKZMRZ-OAHLLOKOSA-N 1 0 333.432 3.158 20 5 EGBDRO COC1([C@@H](C)[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CCOCC1 ZINC000421866725 309344263 /nfs/dbraw/zinc/34/42/63/309344263.db2.gz NYRGFHXEQBGUJS-DYVFJYSZSA-N 1 0 348.443 3.491 20 5 EGBDRO CCCN1C[C@H](C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1=O ZINC000421891560 309345343 /nfs/dbraw/zinc/34/53/43/309345343.db2.gz VYKTWMRXJKYFSW-KSSFIOAISA-N 1 0 345.443 3.210 20 5 EGBDRO CC(C)c1ccc(C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000423645809 309408898 /nfs/dbraw/zinc/40/88/98/309408898.db2.gz SRURLZGYMPBUKM-INIZCTEOSA-N 1 0 345.443 3.180 20 5 EGBDRO CCc1ccc(C(=O)N[C@H](CCC[NH3+])c2ccccc2)cc1[N+](=O)[O-] ZINC000423964837 309422618 /nfs/dbraw/zinc/42/26/18/309422618.db2.gz HCEOGYRGUFZRML-QGZVFWFLSA-N 1 0 341.411 3.367 20 5 EGBDRO CC(C)(CC[NH3+])NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000424048655 309427251 /nfs/dbraw/zinc/42/72/51/309427251.db2.gz RQQSPMQGSJVBOT-UHFFFAOYSA-N 1 0 342.399 3.196 20 5 EGBDRO COC(=O)C1CCC([NH2+]CCCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000426035202 309498226 /nfs/dbraw/zinc/49/82/26/309498226.db2.gz LCYWKQPZQSEEKT-UHFFFAOYSA-N 1 0 334.416 3.239 20 5 EGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCn2ccnc2C1 ZINC000427884970 309537618 /nfs/dbraw/zinc/53/76/18/309537618.db2.gz VDVIMYZGIZWOBX-KBPBESRZSA-N 1 0 346.456 3.267 20 5 EGBDRO Cc1ccc(C[NH2+]C[C@]2(CO)C[C@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000428555933 309555276 /nfs/dbraw/zinc/55/52/76/309555276.db2.gz ALSCTYZZIOVBJS-HKUYNNGSSA-N 1 0 344.386 3.298 20 5 EGBDRO Cc1cc(NC(=O)NCCCCC[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000455087223 310344006 /nfs/dbraw/zinc/34/40/06/310344006.db2.gz WQBWJUCQFYMOSW-UHFFFAOYSA-N 1 0 334.420 3.291 20 5 EGBDRO CCC[C@H]([NH2+]Cc1cccn(CC)c1=O)c1cccc([N+](=O)[O-])c1 ZINC000433094938 309678603 /nfs/dbraw/zinc/67/86/03/309678603.db2.gz BGVRAIAOZLCMDH-KRWDZBQOSA-N 1 0 329.400 3.407 20 5 EGBDRO [NH3+]C[C@H]1CCCCN1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000435372785 309729987 /nfs/dbraw/zinc/72/99/87/309729987.db2.gz SNOCYDOCUMIKGQ-OAHLLOKOSA-N 1 0 332.429 3.032 20 5 EGBDRO Cc1c([C@H](C)[NH2+]Cc2cccc(N3CCC3=O)c2)cccc1[N+](=O)[O-] ZINC000442797582 309887442 /nfs/dbraw/zinc/88/74/42/309887442.db2.gz FUEIYVGBPXVBJO-AWEZNQCLSA-N 1 0 339.395 3.491 20 5 EGBDRO COc1cccc(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000447512112 309980294 /nfs/dbraw/zinc/98/02/94/309980294.db2.gz XCNDBKBJSHJDAA-JKSUJKDBSA-N 1 0 330.388 3.073 20 5 EGBDRO COCCOc1ccccc1C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449085308 310035869 /nfs/dbraw/zinc/03/58/69/310035869.db2.gz LYSFUHVCERUIOD-OAHLLOKOSA-N 1 0 344.411 3.341 20 5 EGBDRO COc1cccc(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])c1OC ZINC000449090398 310036423 /nfs/dbraw/zinc/03/64/23/310036423.db2.gz NRWDXOVHFGQCSK-CYBMUJFWSA-N 1 0 330.384 3.333 20 5 EGBDRO COc1ccc(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000449091921 310036434 /nfs/dbraw/zinc/03/64/34/310036434.db2.gz ROIWYPYBBRWGOA-CYBMUJFWSA-N 1 0 330.384 3.333 20 5 EGBDRO COC[C@H](Cc1ccccc1)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449171426 310042124 /nfs/dbraw/zinc/04/21/24/310042124.db2.gz ADOLOQVGLHZSMR-YJBOKZPZSA-N 1 0 328.412 3.373 20 5 EGBDRO CCOC(=O)c1cc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])[nH]c1C ZINC000449318238 310052929 /nfs/dbraw/zinc/05/29/29/310052929.db2.gz VEUADDRNANOIRX-UHFFFAOYSA-N 1 0 345.399 3.083 20 5 EGBDRO Cc1csc(C[NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000449481793 310065573 /nfs/dbraw/zinc/06/55/73/310065573.db2.gz VTONRXJNPPPEFS-GFCCVEGCSA-N 1 0 333.413 3.472 20 5 EGBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CCCC1(F)F ZINC000449497363 310067050 /nfs/dbraw/zinc/06/70/50/310067050.db2.gz RCQSVABKUKFEAB-VXGBXAGGSA-N 1 0 341.358 3.337 20 5 EGBDRO CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000449506548 310067617 /nfs/dbraw/zinc/06/76/17/310067617.db2.gz CQIFGIUGLBUQFG-VTBIRBAPSA-N 1 0 332.400 3.320 20 5 EGBDRO C[C@H](Cc1cnn(C)c1)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000449582821 310073792 /nfs/dbraw/zinc/07/37/92/310073792.db2.gz HDOYCOAJGMJKTN-CYBMUJFWSA-N 1 0 340.383 3.309 20 5 EGBDRO CCC1(C[NH2+]Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)COC1 ZINC000449596700 310074673 /nfs/dbraw/zinc/07/46/73/310074673.db2.gz CBYWFENPVBTBOA-UHFFFAOYSA-N 1 0 346.383 3.380 20 5 EGBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[N@H+](Cc2ccccc2)C[C@H](C)C1 ZINC000450813682 310143777 /nfs/dbraw/zinc/14/37/77/310143777.db2.gz SRCLMPWPDBAJLZ-HNNXBMFYSA-N 1 0 340.427 3.257 20 5 EGBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[N@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC000450813683 310143822 /nfs/dbraw/zinc/14/38/22/310143822.db2.gz SRCLMPWPDBAJLZ-OAHLLOKOSA-N 1 0 340.427 3.257 20 5 EGBDRO COc1ccccc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000451101009 310160476 /nfs/dbraw/zinc/16/04/76/310160476.db2.gz ZYYAHQQABAQURZ-QWHCGFSZSA-N 1 0 343.383 3.281 20 5 EGBDRO Cc1cc(C)cc(OC[C@@H](O)C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000451109037 310160983 /nfs/dbraw/zinc/16/09/83/310160983.db2.gz XPRQBKADMTYXHJ-YJBOKZPZSA-N 1 0 344.411 3.302 20 5 EGBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H](c2ccc(F)c(Cl)c2)C2CC2)c1 ZINC000451349835 310173427 /nfs/dbraw/zinc/17/34/27/310173427.db2.gz BWSGSWGQNAIYHJ-OAHLLOKOSA-N 1 0 338.770 3.325 20 5 EGBDRO CCC[C@@H]([NH2+]CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C(C)(C)C ZINC000451439403 310178507 /nfs/dbraw/zinc/17/85/07/310178507.db2.gz OAVUJGGJUSTPJQ-OAHLLOKOSA-N 1 0 337.420 3.346 20 5 EGBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(OC)c(F)cc2[N+](=O)[O-])C12CCC2 ZINC000451474077 310180112 /nfs/dbraw/zinc/18/01/12/310180112.db2.gz ALTCLZJYFYNQSH-HZPDHXFCSA-N 1 0 338.379 3.180 20 5 EGBDRO COc1cncc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000451545973 310184669 /nfs/dbraw/zinc/18/46/69/310184669.db2.gz IJSLGPBJISKPSA-INIZCTEOSA-N 1 0 327.384 3.378 20 5 EGBDRO CCO[C@@H]1CC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]1C ZINC000451545510 310184778 /nfs/dbraw/zinc/18/47/78/310184778.db2.gz RENIXRKYWUIRQH-CXAGYDPISA-N 1 0 345.399 3.497 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)[C@H]1CCC[C@H](C)C1 ZINC000452073763 310210399 /nfs/dbraw/zinc/21/03/99/310210399.db2.gz VYGDQKMYKFZCBP-IHRRRGAJSA-N 1 0 349.431 3.346 20 5 EGBDRO Cc1c([C@@H](C)[NH2+]C[C@H](O)Cc2cccc(F)c2)cccc1[N+](=O)[O-] ZINC000453229164 310265471 /nfs/dbraw/zinc/26/54/71/310265471.db2.gz CAVXMPKSKSHLPE-CZUORRHYSA-N 1 0 332.375 3.297 20 5 EGBDRO Cc1c(-c2noc(C3CC[NH+](C4CC4)CC3)n2)cccc1[N+](=O)[O-] ZINC000453264497 310267857 /nfs/dbraw/zinc/26/78/57/310267857.db2.gz VQTASCJFCLXART-UHFFFAOYSA-N 1 0 328.372 3.295 20 5 EGBDRO Cc1cc(-c2noc(C3CC[NH+](C4CC4)CC3)n2)cc([N+](=O)[O-])c1 ZINC000453297667 310269816 /nfs/dbraw/zinc/26/98/16/310269816.db2.gz VERZXVMOKIRZGC-UHFFFAOYSA-N 1 0 328.372 3.295 20 5 EGBDRO CCC(C)(C)OCC[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000453413376 310275653 /nfs/dbraw/zinc/27/56/53/310275653.db2.gz RVCYIYHRRXKCJP-CYBMUJFWSA-N 1 0 337.420 3.107 20 5 EGBDRO Cc1ncccc1NC(=O)[C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000453415967 310275802 /nfs/dbraw/zinc/27/58/02/310275802.db2.gz BQDKAPRXMDHBMM-OCCSQVGLSA-N 1 0 342.399 3.284 20 5 EGBDRO Cc1ccc(C[C@H](CO)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1C ZINC000453426372 310276578 /nfs/dbraw/zinc/27/65/78/310276578.db2.gz HCDLEMQDNASIQB-MAUKXSAKSA-N 1 0 328.412 3.466 20 5 EGBDRO C[C@]1(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCC(=O)N1 ZINC000453594221 310283287 /nfs/dbraw/zinc/28/32/87/310283287.db2.gz WUPJSOBPHMLMDF-QGZVFWFLSA-N 1 0 345.424 3.082 20 5 EGBDRO CC1(C)CCC[N@@H+]1CCNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000454358906 310305115 /nfs/dbraw/zinc/30/51/15/310305115.db2.gz RKWPFNHIZDTQMH-UHFFFAOYSA-N 1 0 340.811 3.244 20 5 EGBDRO C[C@H](NC(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000454473401 310311558 /nfs/dbraw/zinc/31/15/58/310311558.db2.gz CHOGUEDWKSVKSI-KFWWJZLASA-N 1 0 348.447 3.218 20 5 EGBDRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)Cc3ccc([N+](=O)[O-])cc3)ccc21 ZINC000456264381 310395546 /nfs/dbraw/zinc/39/55/46/310395546.db2.gz NBHHXMSHUJAGJJ-GOSISDBHSA-N 1 0 339.395 3.325 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](CO)Cc1ccccc1 ZINC000468627353 310691275 /nfs/dbraw/zinc/69/12/75/310691275.db2.gz FIDOTRHFYIZTOB-XLCPLWEUSA-N 1 0 340.423 3.439 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCCN1CCCCCC1=O ZINC000468650268 310691559 /nfs/dbraw/zinc/69/15/59/310691559.db2.gz YAOYTTCFVAGCCF-SSZFMOIBSA-N 1 0 345.443 3.380 20 5 EGBDRO CC(=Cc1cccc([N+](=O)[O-])c1)[C@H]1NC(=[NH2+])Nc2nc3ccccc3n21 ZINC000468974721 310696907 /nfs/dbraw/zinc/69/69/07/310696907.db2.gz OLHVSWPEICZBEJ-SOGBHIHOSA-N 1 0 348.366 3.496 20 5 EGBDRO CC(C)(C)OCCCC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000475047467 310803845 /nfs/dbraw/zinc/80/38/45/310803845.db2.gz PMZQJOIBBYNKDT-UHFFFAOYSA-N 1 0 335.448 3.312 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]CCN1CC=CCC1 ZINC000475503330 310813170 /nfs/dbraw/zinc/81/31/70/310813170.db2.gz OYGZWNFFXQAGAR-FUHWJXTLSA-N 1 0 329.444 3.158 20 5 EGBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H]2CCCC[C@H]2CC)c([N+](=O)[O-])c1 ZINC000481210556 310908564 /nfs/dbraw/zinc/90/85/64/310908564.db2.gz WCELNFNQIWYSAU-UKRRQHHQSA-N 1 0 349.431 3.490 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H]1CCCO[C@@H]1CC(C)C ZINC000481723416 310920175 /nfs/dbraw/zinc/92/01/75/310920175.db2.gz AZYKMDGOIMAPPY-GOEBONIOSA-N 1 0 349.431 3.025 20 5 EGBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(c2c3ccccc3ncc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488715990 311075911 /nfs/dbraw/zinc/07/59/11/311075911.db2.gz QEIXLDLMAJJCRZ-JJRVBVJISA-N 1 0 340.427 3.310 20 5 EGBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(c2ccc([N+](=O)[O-])c3cccnc32)C[C@@H](C)C1 ZINC000488739803 311077477 /nfs/dbraw/zinc/07/74/77/311077477.db2.gz XAFGKCHKQJEVSR-GLJUWKHASA-N 1 0 340.427 3.310 20 5 EGBDRO CCOc1cccc(N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000488752374 311078478 /nfs/dbraw/zinc/07/84/78/311078478.db2.gz KLCCADDBJJLFQR-IIAWOOMASA-N 1 0 333.432 3.160 20 5 EGBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000488917361 311084520 /nfs/dbraw/zinc/08/45/20/311084520.db2.gz MDEDYPBFADVNIH-AWEZNQCLSA-N 1 0 348.447 3.004 20 5 EGBDRO Cn1c(=O)c(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])cc2ccccc21 ZINC000491516634 311182730 /nfs/dbraw/zinc/18/27/30/311182730.db2.gz XPXAKKMYMHBXIJ-RMKNXTFCSA-N 1 0 349.390 3.250 20 5 EGBDRO CCOc1cc(CN(C)CC[C@@H]2CCCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000492652385 311276851 /nfs/dbraw/zinc/27/68/51/311276851.db2.gz LHOURTQBZXBZNI-INIZCTEOSA-N 1 0 335.448 3.300 20 5 EGBDRO CCCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000492818408 311294725 /nfs/dbraw/zinc/29/47/25/311294725.db2.gz NYKZDBVVVXLLET-PMPSAXMXSA-N 1 0 336.432 3.283 20 5 EGBDRO CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000495565775 311579249 /nfs/dbraw/zinc/57/92/49/311579249.db2.gz NFTPIVXHQBCPCF-AAEUAGOBSA-N 1 0 341.433 3.003 20 5 EGBDRO COC(=O)N1CCC(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000496577756 311732895 /nfs/dbraw/zinc/73/28/95/311732895.db2.gz NAYAEZBDSUNOTK-CYBMUJFWSA-N 1 0 335.404 3.032 20 5 EGBDRO COc1ccc([C@@H]2CC[N@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000504522177 312007453 /nfs/dbraw/zinc/00/74/53/312007453.db2.gz SDMDMIFPCFBHNZ-MRXNPFEDSA-N 1 0 342.395 3.472 20 5 EGBDRO COCC[N@H+](C)CC[C@H](Nc1ccc([N+](=O)[O-])cn1)c1ccccc1 ZINC000505581079 312026709 /nfs/dbraw/zinc/02/67/09/312026709.db2.gz FEAWNTYGZSWTHC-KRWDZBQOSA-N 1 0 344.415 3.111 20 5 EGBDRO C[NH+](C)CCOc1ccc(CCNc2ccccc2[N+](=O)[O-])cc1 ZINC000511383675 312158909 /nfs/dbraw/zinc/15/89/09/312158909.db2.gz YZQXMMZEUXWNQH-UHFFFAOYSA-N 1 0 329.400 3.190 20 5 EGBDRO CCC1CCC([N@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000514103279 312225266 /nfs/dbraw/zinc/22/52/66/312225266.db2.gz BBNDZAVOFRBEBA-VMBOVVBDSA-N 1 0 336.432 3.235 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCOC3(CCOCC3)C1)CCC2 ZINC000516240188 312316330 /nfs/dbraw/zinc/31/63/30/312316330.db2.gz CQYQVBWWKCKFTM-CRAIPNDOSA-N 1 0 346.427 3.290 20 5 EGBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000521438224 312546011 /nfs/dbraw/zinc/54/60/11/312546011.db2.gz XNTBNWGNUPAOML-QWHCGFSZSA-N 1 0 342.399 3.194 20 5 EGBDRO CC[C@]1(C)COCC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000534851630 314002237 /nfs/dbraw/zinc/00/22/37/314002237.db2.gz ATCPNGGASAVQNQ-GOSISDBHSA-N 1 0 345.399 3.293 20 5 EGBDRO CN1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@H](c2ccccc2)C1 ZINC000536452530 314114461 /nfs/dbraw/zinc/11/44/61/314114461.db2.gz FAUHMIQVYJUKSE-IBGZPJMESA-N 1 0 325.412 3.126 20 5 EGBDRO COc1ccc2c(c1)[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)CC2 ZINC000536857324 314150597 /nfs/dbraw/zinc/15/05/97/314150597.db2.gz KHVPUKSXVGBCTC-SFHVURJKSA-N 1 0 328.368 3.259 20 5 EGBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC12CCC(CC1)C2 ZINC000540154780 314366408 /nfs/dbraw/zinc/36/64/08/314366408.db2.gz XCMUYCCRKFHSLD-VNSJNIRKSA-N 1 0 331.416 3.482 20 5 EGBDRO O=C(CC[NH2+]CCCOC1CCCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000548761775 315044345 /nfs/dbraw/zinc/04/43/45/315044345.db2.gz WOPILRYZOLLUBM-UHFFFAOYSA-N 1 0 349.431 3.252 20 5 EGBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](CC)Cc1ccc([N+](=O)[O-])cc1 ZINC000553696869 315276782 /nfs/dbraw/zinc/27/67/82/315276782.db2.gz XZLUVNYASVJAIU-AEFFLSMTSA-N 1 0 347.459 3.154 20 5 EGBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1CCCSC1 ZINC000554359248 315312725 /nfs/dbraw/zinc/31/27/25/315312725.db2.gz PAKIBSLRYBEUKC-CHWSQXEVSA-N 1 0 337.445 3.045 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCOC2(CCOCC2)C1 ZINC000560916458 315730873 /nfs/dbraw/zinc/73/08/73/315730873.db2.gz BATHBFRXXZPJOP-GJZGRUSLSA-N 1 0 334.416 3.282 20 5 EGBDRO Cc1cccc([C@H](C)C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000562995413 315937234 /nfs/dbraw/zinc/93/72/34/315937234.db2.gz JUKOPZPBDNGNTM-WBVHZDCISA-N 1 0 344.411 3.036 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCOC[C@@H]1CCCO1)CCCC2 ZINC000563570010 316040002 /nfs/dbraw/zinc/04/00/02/316040002.db2.gz ZQNTZGKGXLRRIF-WMZOPIPTSA-N 1 0 334.416 3.148 20 5 EGBDRO COCC[C@H](Cc1ccco1)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000564226491 316125978 /nfs/dbraw/zinc/12/59/78/316125978.db2.gz YSZDAUFTFBHHMK-DYVFJYSZSA-N 1 0 330.384 3.413 20 5 EGBDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000564720738 316194170 /nfs/dbraw/zinc/19/41/70/316194170.db2.gz MXIAXKBEPPGOGX-HOTGVXAUSA-N 1 0 347.459 3.183 20 5 EGBDRO C[C@@H](CC1CCCCC1)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000566063663 316410216 /nfs/dbraw/zinc/41/02/16/316410216.db2.gz GPBULJWUZRJMIE-GOEBONIOSA-N 1 0 336.432 3.283 20 5 EGBDRO O=C1CCN1c1cccc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000571104767 317151193 /nfs/dbraw/zinc/15/11/93/317151193.db2.gz ZGIBLRVZFKPONZ-QGZVFWFLSA-N 1 0 337.379 3.109 20 5 EGBDRO CCC[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000021918624 323213655 /nfs/dbraw/zinc/21/36/55/323213655.db2.gz ZLPVTAWIFBYMAK-UHFFFAOYSA-N 1 0 327.384 3.446 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCN(c3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000178687257 323359217 /nfs/dbraw/zinc/35/92/17/323359217.db2.gz AJKWVBROFNFFAA-RHSMWYFYSA-N 1 0 339.395 3.359 20 5 EGBDRO C[C@@H]1C[C@@H]1[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc(Cl)cc1 ZINC000180034910 323420121 /nfs/dbraw/zinc/42/01/21/323420121.db2.gz QMGKGEUYTXNJTF-DIOULYMOSA-N 1 0 334.807 3.432 20 5 EGBDRO CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000382458288 324250760 /nfs/dbraw/zinc/25/07/60/324250760.db2.gz SFWKXOFLGHQIAF-HUUCEWRRSA-N 1 0 349.431 3.378 20 5 EGBDRO COc1ccc(-c2ccc(C[NH2+]C[C@H](CO)C(C)C)o2)c([N+](=O)[O-])c1 ZINC000579458767 325112492 /nfs/dbraw/zinc/11/24/92/325112492.db2.gz PDBKAOPMUGJZEY-CYBMUJFWSA-N 1 0 348.399 3.218 20 5 EGBDRO Cc1cc([N+](=O)[O-])cnc1N1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000579600654 325133484 /nfs/dbraw/zinc/13/34/84/325133484.db2.gz TXIXQIWGQPIHBV-UHFFFAOYSA-N 1 0 349.394 3.173 20 5 EGBDRO CC(C)[N@H+](C)CC1CCN(C(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000581858815 325393428 /nfs/dbraw/zinc/39/34/28/325393428.db2.gz XSUWRUWQRZKJRC-OAHLLOKOSA-N 1 0 347.459 3.277 20 5 EGBDRO Cc1c(C[NH2+][C@@H](C[S@](C)=O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000183089079 455226204 /nfs/dbraw/zinc/22/62/04/455226204.db2.gz YYGWPJWVKBHTEO-HJPURHCSSA-N 1 0 332.425 3.113 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@@H]3CCC[C@@H]3CCO)o2)c1 ZINC000189978002 455265024 /nfs/dbraw/zinc/26/50/24/455265024.db2.gz GGFKJNWOOINKKU-CXAGYDPISA-N 1 0 330.384 3.496 20 5 EGBDRO C[C@@H]([NH2+]CCN1CCc2sccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000173344140 455269965 /nfs/dbraw/zinc/26/99/65/455269965.db2.gz OMKVJVVROUPKKU-CYBMUJFWSA-N 1 0 331.441 3.365 20 5 EGBDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000007240595 453048509 /nfs/dbraw/zinc/04/85/09/453048509.db2.gz ISKVNLQUCXVCEM-LBPRGKRZSA-N 1 0 339.823 3.243 20 5 EGBDRO COC(=O)c1cc(-c2ccc([C@@H]3CCC[NH2+]3)cc2)cc([N+](=O)[O-])c1 ZINC000600788599 460605856 /nfs/dbraw/zinc/60/58/56/460605856.db2.gz PFQVPGMQGGGALR-KRWDZBQOSA-N 1 0 326.352 3.473 20 5 EGBDRO C[NH+](C)[C@@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000016599294 453614840 /nfs/dbraw/zinc/61/48/40/453614840.db2.gz UMKTXUKBEKPFLM-INIZCTEOSA-N 1 0 347.802 3.281 20 5 EGBDRO CC[N@@H+]1CCC[C@@H]1CNc1ccc(Br)cc1[N+](=O)[O-] ZINC000020554392 453667835 /nfs/dbraw/zinc/66/78/35/453667835.db2.gz KTVSOWHQTBZWAM-LLVKDONJSA-N 1 0 328.210 3.254 20 5 EGBDRO C[NH+](C)[C@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000024367079 453731681 /nfs/dbraw/zinc/73/16/81/453731681.db2.gz UWIFIXOHQQDNBM-CYBMUJFWSA-N 1 0 334.401 3.081 20 5 EGBDRO CCCC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000026450436 453799818 /nfs/dbraw/zinc/79/98/18/453799818.db2.gz SAOCWKBDSXRBIF-UHFFFAOYSA-N 1 0 325.796 3.451 20 5 EGBDRO CC(C)(CNc1ncccc1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000026725630 453804860 /nfs/dbraw/zinc/80/48/60/453804860.db2.gz SAUJKTWZNQVGQV-UHFFFAOYSA-N 1 0 326.400 3.239 20 5 EGBDRO CC(C)[C@@H](CNc1ccc([N+](=O)[O-])cn1)[N@@H+]1CCc2ccccc2C1 ZINC000026727785 453804950 /nfs/dbraw/zinc/80/49/50/453804950.db2.gz GZGPROFPGNJTLF-GOSISDBHSA-N 1 0 340.427 3.485 20 5 EGBDRO CCOc1ccc(NC(=O)C[N@H+](C)[C@H](C)C(C)(C)C)c([N+](=O)[O-])c1 ZINC000027132361 453811744 /nfs/dbraw/zinc/81/17/44/453811744.db2.gz RNHROUWHRMYWMC-GFCCVEGCSA-N 1 0 337.420 3.298 20 5 EGBDRO Cn1cnc([N+](=O)[O-])c1NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000029625398 453830315 /nfs/dbraw/zinc/83/03/15/453830315.db2.gz BLHFQVHIWTYSAQ-CQSZACIVSA-N 1 0 349.822 3.231 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]([C@@H](C)C1CC1)C1CC1 ZINC000029725907 453831121 /nfs/dbraw/zinc/83/11/21/453831121.db2.gz VSEIZVCNAZCXBO-LBPRGKRZSA-N 1 0 347.415 3.195 20 5 EGBDRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1csc([N+](=O)[O-])c1 ZINC000052590848 453838117 /nfs/dbraw/zinc/83/81/17/453838117.db2.gz BDOOOIVFUPUNFR-UHFFFAOYSA-N 1 0 345.424 3.182 20 5 EGBDRO CC(=O)c1ccc(NCC[N@@H+](C)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000053582844 453889676 /nfs/dbraw/zinc/88/96/76/453889676.db2.gz GMOJTDNUASSRKO-UHFFFAOYSA-N 1 0 327.384 3.341 20 5 EGBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000054226430 453917694 /nfs/dbraw/zinc/91/76/94/453917694.db2.gz IMUWSMSOIJCKLZ-YOEHRIQHSA-N 1 0 339.395 3.160 20 5 EGBDRO CCCC(=O)NC[C@H]1CCC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000075683468 453918700 /nfs/dbraw/zinc/91/87/00/453918700.db2.gz XCUCQNCBTNREOB-LSDHHAIUSA-N 1 0 333.432 3.284 20 5 EGBDRO COc1cc2[nH]c(NCc3cccc([N+](=O)[O-])c3)[nH+]c2cc1OC ZINC000082741579 453929236 /nfs/dbraw/zinc/92/92/36/453929236.db2.gz OWYJFRFUMSOBJK-UHFFFAOYSA-N 1 0 328.328 3.100 20 5 EGBDRO COc1ccc(C[N@H+](C)[C@@H](CCO)c2ccccc2)cc1[N+](=O)[O-] ZINC000075899955 453937629 /nfs/dbraw/zinc/93/76/29/453937629.db2.gz JZRANARWTPEIIX-INIZCTEOSA-N 1 0 330.384 3.159 20 5 EGBDRO CC(C)C[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[NH+](C)C ZINC000075986329 453945708 /nfs/dbraw/zinc/94/57/08/453945708.db2.gz IDHGKHIWHVGGSB-GFCCVEGCSA-N 1 0 342.827 3.346 20 5 EGBDRO CC(C)[N@@H+]1CC[C@H](CNc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000040624121 453953357 /nfs/dbraw/zinc/95/33/57/453953357.db2.gz ZDOAEBRRISHHGL-LLVKDONJSA-N 1 0 342.237 3.500 20 5 EGBDRO Cc1c(NC(=O)CC[N@@H+]2CCC[C@H]2c2ccc[nH]2)cccc1[N+](=O)[O-] ZINC000067966633 453985058 /nfs/dbraw/zinc/98/50/58/453985058.db2.gz KOLWUHPJNBYHIL-KRWDZBQOSA-N 1 0 342.399 3.397 20 5 EGBDRO CCc1ccc([C@H](NC[C@@H](C)[NH+](C)C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000612409694 460622986 /nfs/dbraw/zinc/62/29/86/460622986.db2.gz OMTUNUSPJAWPLT-FZKQIMNGSA-N 1 0 331.416 3.379 20 5 EGBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)N(C)Cc1ccccc1 ZINC000056197316 454043479 /nfs/dbraw/zinc/04/34/79/454043479.db2.gz MNSCHFJQOLXKML-LSDHHAIUSA-N 1 0 341.411 3.293 20 5 EGBDRO C[NH+](C)Cc1cccc(NC(=O)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000087100203 454062739 /nfs/dbraw/zinc/06/27/39/454062739.db2.gz TXBBVUJFVHIGOB-UHFFFAOYSA-N 1 0 327.384 3.228 20 5 EGBDRO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccc([S@](C)=O)cc1 ZINC000089580951 454163100 /nfs/dbraw/zinc/16/31/00/454163100.db2.gz HCSMOKUQFGUNCU-YEBMWUKDSA-N 1 0 348.424 3.062 20 5 EGBDRO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccc([S@@](C)=O)cc1 ZINC000089580952 454163132 /nfs/dbraw/zinc/16/31/32/454163132.db2.gz HCSMOKUQFGUNCU-RZFZLAGVSA-N 1 0 348.424 3.062 20 5 EGBDRO COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2CC(C)C)c([N+](=O)[O-])c1 ZINC000130317950 454190553 /nfs/dbraw/zinc/19/05/53/454190553.db2.gz WERRPQSOGYAPEN-CYBMUJFWSA-N 1 0 335.404 3.052 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000045951595 454200471 /nfs/dbraw/zinc/20/04/71/454200471.db2.gz BFHRVKZYOPYPAU-KBPBESRZSA-N 1 0 334.420 3.288 20 5 EGBDRO C[NH+](C)C[C@@H]1CCCCN1C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000119966461 454243189 /nfs/dbraw/zinc/24/31/89/454243189.db2.gz NPKIICLPABEFIT-HNNXBMFYSA-N 1 0 347.459 3.449 20 5 EGBDRO CC[NH+](CC)[C@H](CNC(=O)c1ccc([N+](=O)[O-])o1)c1ccccc1 ZINC000046708239 454276104 /nfs/dbraw/zinc/27/61/04/454276104.db2.gz IJWIXYYUQAGYHD-CQSZACIVSA-N 1 0 331.372 3.001 20 5 EGBDRO CCC[N@@H+]1CC[C@@H](CNC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)C1 ZINC000120255099 454278533 /nfs/dbraw/zinc/27/85/33/454278533.db2.gz MMSHBQDKIIUKEQ-AWEZNQCLSA-N 1 0 334.420 3.065 20 5 EGBDRO Cc1c(C(=O)NCCCC[NH+]2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC000047016456 454318716 /nfs/dbraw/zinc/31/87/16/454318716.db2.gz KOKJJZZLMAUDRO-UHFFFAOYSA-N 1 0 333.432 3.145 20 5 EGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(CN2CCCCC2=O)CC1 ZINC000072663792 454324616 /nfs/dbraw/zinc/32/46/16/454324616.db2.gz BZYYTYIIFGGWLW-OAHLLOKOSA-N 1 0 345.443 3.380 20 5 EGBDRO CCN(Cc1cccs1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000132348423 454332141 /nfs/dbraw/zinc/33/21/41/454332141.db2.gz HSZCHPJYNVSBOD-MRXNPFEDSA-N 1 0 345.424 3.284 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H]1CCC(C)(C)C[C@@H]1C ZINC000120802924 454349326 /nfs/dbraw/zinc/34/93/26/454349326.db2.gz LDWKBQMWFAECSY-JSGCOSHPSA-N 1 0 349.431 3.346 20 5 EGBDRO CCSCC[C@@H](C)[N@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000072901594 454361275 /nfs/dbraw/zinc/36/12/75/454361275.db2.gz FTXBROSNQQQNEU-CYBMUJFWSA-N 1 0 339.461 3.305 20 5 EGBDRO CN(c1ccc([N+](=O)[O-])cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000091476683 454440070 /nfs/dbraw/zinc/44/00/70/454440070.db2.gz VITGUNMBQMNGMA-UHFFFAOYSA-N 1 0 340.427 3.133 20 5 EGBDRO C[C@H](NC(=O)NCCC[N@@H+]1CCCC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000079891143 454494276 /nfs/dbraw/zinc/49/42/76/454494276.db2.gz HTAQIGHJOBBGMI-GJZGRUSLSA-N 1 0 348.447 3.220 20 5 EGBDRO O=C(NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1)c1ccsc1 ZINC000064989595 454523112 /nfs/dbraw/zinc/52/31/12/454523112.db2.gz HQJBBBHSCDTJPE-UHFFFAOYSA-N 1 0 345.424 3.051 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@@H]3CCCC[C@@H]3O)cs2)c1 ZINC000074371042 454572423 /nfs/dbraw/zinc/57/24/23/454572423.db2.gz DQKWJJKJUDGHOO-CABCVRRESA-N 1 0 333.413 3.111 20 5 EGBDRO CCC[N@@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000092621852 454595709 /nfs/dbraw/zinc/59/57/09/454595709.db2.gz DYIDSFJRLHENQC-LLVKDONJSA-N 1 0 329.347 3.340 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CCC(OC[C@@H]2CCCO2)CC1 ZINC000092661436 454603812 /nfs/dbraw/zinc/60/38/12/454603812.db2.gz UHXXEDAVEBEWMC-PXPSOEEZSA-N 1 0 346.427 3.268 20 5 EGBDRO C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)C[N@@H+]1C1CC1 ZINC000092672219 454607099 /nfs/dbraw/zinc/60/70/99/454607099.db2.gz UKCJIYMFUHDGQI-KOLCDFICSA-N 1 0 327.331 3.233 20 5 EGBDRO C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)C[N@@H+]1C1CC1 ZINC000092672229 454607441 /nfs/dbraw/zinc/60/74/41/454607441.db2.gz UKCJIYMFUHDGQI-GXSJLCMTSA-N 1 0 327.331 3.233 20 5 EGBDRO CCCCN(C)C(=O)C1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000052186565 454658465 /nfs/dbraw/zinc/65/84/65/454658465.db2.gz ZRCJHUQBPWVWBU-UHFFFAOYSA-N 1 0 333.432 3.065 20 5 EGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](Cc2nccn2C)C1 ZINC000123832979 454679744 /nfs/dbraw/zinc/67/97/44/454679744.db2.gz BXOAWVKUPJIYSO-HUUCEWRRSA-N 1 0 328.416 3.344 20 5 EGBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000106149926 454683095 /nfs/dbraw/zinc/68/30/95/454683095.db2.gz YJWZLCFGMSIETQ-UXLLHSPISA-N 1 0 345.443 3.001 20 5 EGBDRO COc1ccc(C[NH2+]C[C@H](c2ccco2)N2CCCC2)cc1[N+](=O)[O-] ZINC000106465702 454696770 /nfs/dbraw/zinc/69/67/70/454696770.db2.gz RKQHGOLOQXRKLQ-MRXNPFEDSA-N 1 0 345.399 3.123 20 5 EGBDRO CCN(Cc1ccoc1)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000153547287 454805063 /nfs/dbraw/zinc/80/50/63/454805063.db2.gz XYLQJCZLXCIADI-ZDUSSCGKSA-N 1 0 331.372 3.345 20 5 EGBDRO COC(=O)c1ccc(CN(C)Cc2ccccc2[N+](=O)[O-])cc1F ZINC000176967592 454805089 /nfs/dbraw/zinc/80/50/89/454805089.db2.gz JAPWJIYIMGXMLK-UHFFFAOYSA-N 1 0 332.331 3.153 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000162957011 454812144 /nfs/dbraw/zinc/81/21/44/454812144.db2.gz VPZOKACOHREJCF-HNNXBMFYSA-N 1 0 346.431 3.243 20 5 EGBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000163220340 454831212 /nfs/dbraw/zinc/83/12/12/454831212.db2.gz XRWRTZXPKGXMRW-GUYCJALGSA-N 1 0 344.415 3.075 20 5 EGBDRO C[C@H](CCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000182225914 455465997 /nfs/dbraw/zinc/46/59/97/455465997.db2.gz FDLSNWYMXQACSG-GFCCVEGCSA-N 1 0 339.823 3.243 20 5 EGBDRO Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)cc1[N+](=O)[O-] ZINC000163706393 454862087 /nfs/dbraw/zinc/86/20/87/454862087.db2.gz KANHPTOUGHEDKH-HNNXBMFYSA-N 1 0 333.432 3.001 20 5 EGBDRO C[C@@H]1[C@@H](c2ccccc2)CC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000177560187 454877899 /nfs/dbraw/zinc/87/78/99/454877899.db2.gz JXSIEFNJXPWELX-DYVFJYSZSA-N 1 0 339.395 3.072 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3ccccc3Cl)C2)nc1 ZINC000112654993 454894775 /nfs/dbraw/zinc/89/47/75/454894775.db2.gz CYUPODNNMUFYGY-ZDUSSCGKSA-N 1 0 332.791 3.330 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccc(C(=O)N(C)C)c2)cc1[N+](=O)[O-] ZINC000177738218 454897835 /nfs/dbraw/zinc/89/78/35/454897835.db2.gz NXTNLBDZTQVSKP-CQSZACIVSA-N 1 0 341.411 3.456 20 5 EGBDRO Cc1ccc(NC(=O)CC[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)nc1 ZINC000167154149 454918250 /nfs/dbraw/zinc/91/82/50/454918250.db2.gz DZCSFNLKWDFYFS-CQSZACIVSA-N 1 0 342.399 3.286 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCN(C(=O)C2CCCC2)C1 ZINC000126921675 454926964 /nfs/dbraw/zinc/92/69/64/454926964.db2.gz NONJXBJLZNFASQ-HOCLYGCPSA-N 1 0 345.443 3.345 20 5 EGBDRO Cc1ccc([C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2)[NH+](C)C)cc1 ZINC000127139040 454940430 /nfs/dbraw/zinc/94/04/30/454940430.db2.gz BHFGVSWOBVEAJI-QGZVFWFLSA-N 1 0 342.399 3.328 20 5 EGBDRO CC(C)CN(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C1CC[NH+](C)CC1 ZINC000114383362 454952159 /nfs/dbraw/zinc/95/21/59/454952159.db2.gz XNCLATRGOIKFFJ-RMKNXTFCSA-N 1 0 345.443 3.187 20 5 EGBDRO O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)c1ccc([N+](=O)[O-])s1 ZINC000114641862 454965121 /nfs/dbraw/zinc/96/51/21/454965121.db2.gz NSANSVWYULSUHE-CQSZACIVSA-N 1 0 345.424 3.051 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@H]3CC[C@@H](CO)CC3)o2)c1 ZINC000151420132 454982232 /nfs/dbraw/zinc/98/22/32/454982232.db2.gz XVHGGQDUAVJBQA-CTYIDZIISA-N 1 0 330.384 3.496 20 5 EGBDRO CC[C@@H]([NH2+]CCCN1CCCCCC1=O)c1cccc([N+](=O)[O-])c1 ZINC000155524606 455011353 /nfs/dbraw/zinc/01/13/53/455011353.db2.gz CEHTWFWVCATWSV-QGZVFWFLSA-N 1 0 333.432 3.428 20 5 EGBDRO COCCC[NH+]1CCC(Nc2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000171070280 455024827 /nfs/dbraw/zinc/02/48/27/455024827.db2.gz MBIMYIQMHAFIPR-UHFFFAOYSA-N 1 0 344.415 3.056 20 5 EGBDRO CNC(=O)c1cccc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000155860691 455053598 /nfs/dbraw/zinc/05/35/98/455053598.db2.gz PCLDSIOJOWPUQG-ZDUSSCGKSA-N 1 0 327.384 3.114 20 5 EGBDRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)cc1OC ZINC000128557027 455067516 /nfs/dbraw/zinc/06/75/16/455067516.db2.gz HZLWSERFBFBZBJ-GFCCVEGCSA-N 1 0 346.383 3.471 20 5 EGBDRO CC[C@@H]1CCC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1 ZINC000117342798 455083421 /nfs/dbraw/zinc/08/34/21/455083421.db2.gz MFUHUZDULZGPNE-CQSZACIVSA-N 1 0 347.415 3.405 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCC(=O)N1CCCCCC1 ZINC000129081405 455096621 /nfs/dbraw/zinc/09/66/21/455096621.db2.gz PRIBMJULJHYUMK-HNNXBMFYSA-N 1 0 333.432 3.347 20 5 EGBDRO C[C@@H]([NH2+]CC(=O)N(C)CC1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000180406152 455164914 /nfs/dbraw/zinc/16/49/14/455164914.db2.gz WDGQPYDAUVDNHY-CQSZACIVSA-N 1 0 333.432 3.284 20 5 EGBDRO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)NCC1CCCCC1 ZINC000180452378 455172963 /nfs/dbraw/zinc/17/29/63/455172963.db2.gz ARBMUOBQXZSMLD-ZIAGYGMSSA-N 1 0 333.432 3.330 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCC[C@@H]3C3CCC3)n2)cc1 ZINC000264014921 455183610 /nfs/dbraw/zinc/18/36/10/455183610.db2.gz UFDKQGDNYDIWPE-OAHLLOKOSA-N 1 0 328.372 3.409 20 5 EGBDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000172840911 455195179 /nfs/dbraw/zinc/19/51/79/455195179.db2.gz CYWJNDIPILNAIB-GFCCVEGCSA-N 1 0 339.823 3.195 20 5 EGBDRO O=[N+]([O-])c1cnn(CC[NH2+]C2(c3ccc(F)cc3F)CCCC2)c1 ZINC000181247204 455307262 /nfs/dbraw/zinc/30/72/62/455307262.db2.gz TZVFNHUDBMWUCF-UHFFFAOYSA-N 1 0 336.342 3.129 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)Nc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000181826628 455386834 /nfs/dbraw/zinc/38/68/34/455386834.db2.gz IGGDJXLVJXTIDZ-LBPRGKRZSA-N 1 0 331.347 3.332 20 5 EGBDRO C[C@@H](c1cc2ccccc2o1)[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000159688257 455396041 /nfs/dbraw/zinc/39/60/41/455396041.db2.gz HOQHUGPIHMPDTH-ZDUSSCGKSA-N 1 0 341.367 3.196 20 5 EGBDRO CC(C)C(=O)NC[C@@H]1CCC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000266514788 455429369 /nfs/dbraw/zinc/42/93/69/455429369.db2.gz GDFALPNERSHIGN-CABCVRRESA-N 1 0 333.432 3.140 20 5 EGBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000184762651 455443994 /nfs/dbraw/zinc/44/39/94/455443994.db2.gz GBNNKNWQHBWAEE-MRXNPFEDSA-N 1 0 347.459 3.154 20 5 EGBDRO CCCC[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc(OC)cc1 ZINC000182139361 455444946 /nfs/dbraw/zinc/44/49/46/455444946.db2.gz WMAJXPFWXAPIFB-INIZCTEOSA-N 1 0 332.404 3.321 20 5 EGBDRO Cc1ccccc1C[C@@H](CO)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000191561153 455497142 /nfs/dbraw/zinc/49/71/42/455497142.db2.gz UJVAIPKAGBIKEN-YJBOKZPZSA-N 1 0 328.412 3.466 20 5 EGBDRO CC(C)C[C@H](CO)[N@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000185326743 455540970 /nfs/dbraw/zinc/54/09/70/455540970.db2.gz AYUNFEQBZHYPSP-MRXNPFEDSA-N 1 0 347.415 3.131 20 5 EGBDRO O=[N+]([O-])c1ccc(OC2CCN(CCC[NH+]3CCCCC3)CC2)cc1 ZINC000161316393 455558204 /nfs/dbraw/zinc/55/82/04/455558204.db2.gz FSHBMSNEYYKBTG-UHFFFAOYSA-N 1 0 347.459 3.314 20 5 EGBDRO COc1ccc(CC[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1OC ZINC000283900958 455609102 /nfs/dbraw/zinc/60/91/02/455609102.db2.gz CYBQYNBXUHSDTH-LBPRGKRZSA-N 1 0 345.399 3.088 20 5 EGBDRO Cc1cc2ncc([C@H](C)[NH2+]CCc3ccccc3[N+](=O)[O-])c(C)n2n1 ZINC000271365357 455612593 /nfs/dbraw/zinc/61/25/93/455612593.db2.gz FZFZKSCWHKZCJV-ZDUSSCGKSA-N 1 0 339.399 3.148 20 5 EGBDRO O=[N+]([O-])c1cnc(Nc2cccc(C[NH+]3CCSCC3)c2)s1 ZINC000192450318 455620213 /nfs/dbraw/zinc/62/02/13/455620213.db2.gz JCGOUXGBYQXSTD-UHFFFAOYSA-N 1 0 336.442 3.344 20 5 EGBDRO CCOc1cc(C[NH+]2CCC3(CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000283998727 455622048 /nfs/dbraw/zinc/62/20/48/455622048.db2.gz DKTRDQBKAFSEGM-UHFFFAOYSA-N 1 0 334.416 3.386 20 5 EGBDRO CC(C)C[C@@H]1OCCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000284089534 455635090 /nfs/dbraw/zinc/63/50/90/455635090.db2.gz LUTLTQLCVAXAHV-ZBFHGGJFSA-N 1 0 337.376 3.186 20 5 EGBDRO O=[N+]([O-])c1cccc(C[NH+]2CCC(CO)(Cc3ccccc3)CC2)c1 ZINC000277719296 455644231 /nfs/dbraw/zinc/64/42/31/455644231.db2.gz IZWUXLXGUGOLAJ-UHFFFAOYSA-N 1 0 340.423 3.412 20 5 EGBDRO CN(C)[C@@H](C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccco1 ZINC000192598468 455649511 /nfs/dbraw/zinc/64/95/11/455649511.db2.gz LXBHLIPRZZDOJU-IRXDYDNUSA-N 1 0 329.400 3.458 20 5 EGBDRO C[C@@H]1CN(Cc2cc(=O)oc3ccc4ccccc4c23)C[C@@H]1[NH+](C)C ZINC000271570319 455687796 /nfs/dbraw/zinc/68/77/96/455687796.db2.gz ONZCOLVOLWDKEA-KDOFPFPSSA-N 1 0 336.435 3.328 20 5 EGBDRO CCOCCC[N@@H+]1CC[C@H](N[C@H](C)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000248173144 455693522 /nfs/dbraw/zinc/69/35/22/455693522.db2.gz VDFQQSFDRLIMFD-FCEWJHQRSA-N 1 0 349.475 3.382 20 5 EGBDRO COc1cccc([C@@H](O)C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000192852862 455706815 /nfs/dbraw/zinc/70/68/15/455706815.db2.gz VQUYXKDBZIDICN-MOPGFXCFSA-N 1 0 342.395 3.304 20 5 EGBDRO CCOC[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000292729451 455742420 /nfs/dbraw/zinc/74/24/20/455742420.db2.gz GMKDWAXGCQOWDA-LLVKDONJSA-N 1 0 332.322 3.472 20 5 EGBDRO O=[N+]([O-])c1ccc2oc(C[NH+]3CCC4(CCOCC4)CC3)nc2c1 ZINC000284852756 455753332 /nfs/dbraw/zinc/75/33/32/455753332.db2.gz UAZQYLKFMYCCAL-UHFFFAOYSA-N 1 0 331.372 3.129 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1CCCO[C@H]1CC(C)C ZINC000186398531 455760794 /nfs/dbraw/zinc/76/07/94/455760794.db2.gz CFDMCXZOXCYZMF-SJORKVTESA-N 1 0 349.431 3.025 20 5 EGBDRO C[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H]1CCCC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000249774532 455775977 /nfs/dbraw/zinc/77/59/77/455775977.db2.gz VKNKBQQGFQUPOV-VWPFQQQWSA-N 1 0 333.432 3.329 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)C[N@H+](C)Cc2ccccc2)c1 ZINC000271991734 455814436 /nfs/dbraw/zinc/81/44/36/455814436.db2.gz GMQSPUNTQPKQTD-HNNXBMFYSA-N 1 0 341.411 3.154 20 5 EGBDRO C[C@]1(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)CC[NH2+]C1 ZINC000269221265 455815168 /nfs/dbraw/zinc/81/51/68/455815168.db2.gz NQBPEAXCZLKJTR-SFHVURJKSA-N 1 0 341.367 3.325 20 5 EGBDRO CC[C@@H]([NH2+][C@H]1CCCN(c2ccnn2C)C1)c1cccc([N+](=O)[O-])c1 ZINC000278374237 455832872 /nfs/dbraw/zinc/83/28/72/455832872.db2.gz DRKMAZMFHCYMTB-DOTOQJQBSA-N 1 0 343.431 3.038 20 5 EGBDRO COC(=O)N1CCC([C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000186760167 455832944 /nfs/dbraw/zinc/83/29/44/455832944.db2.gz BRGBNDRXIZZOBR-UONOGXRCSA-N 1 0 349.431 3.421 20 5 EGBDRO CC(C)C(=O)NC[C@H]1CCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255566611 455870468 /nfs/dbraw/zinc/87/04/68/455870468.db2.gz CGIZVHJGUULCTJ-CXOKCQFOSA-N 1 0 345.443 3.092 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC2(CC(OCC)C2)C1 ZINC000285583962 455876170 /nfs/dbraw/zinc/87/61/70/455876170.db2.gz VJUGBEQPDKBNKI-UHFFFAOYSA-N 1 0 334.416 3.385 20 5 EGBDRO CS[C@@H]1CC[N@@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000296366260 455919543 /nfs/dbraw/zinc/91/95/43/455919543.db2.gz RFDGYCCBPTWMQA-GXFFZTMASA-N 1 0 334.401 3.143 20 5 EGBDRO Cc1n[nH]c(CC[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)n1 ZINC000272366926 455927655 /nfs/dbraw/zinc/92/76/55/455927655.db2.gz CWXVJWDBXFEIIO-UHFFFAOYSA-N 1 0 343.412 3.082 20 5 EGBDRO CC[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H](C)Cc1ccsc1 ZINC000187795396 455953324 /nfs/dbraw/zinc/95/33/24/455953324.db2.gz TZKKYPDVTCNYIC-LBPRGKRZSA-N 1 0 347.440 3.208 20 5 EGBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCC(=O)N2 ZINC000285998597 455957522 /nfs/dbraw/zinc/95/75/22/455957522.db2.gz IMUVJXLAGWBTNN-NWDGAFQWSA-N 1 0 341.367 3.338 20 5 EGBDRO C[NH+]1CCC(C)(CNC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000272545861 455989255 /nfs/dbraw/zinc/98/92/55/455989255.db2.gz OOUOJMDNLSUAMM-UHFFFAOYSA-N 1 0 340.811 3.102 20 5 EGBDRO C[C@@H]1CN(Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C[C@@H]1[NH3+] ZINC000262079598 455994792 /nfs/dbraw/zinc/99/47/92/455994792.db2.gz SXHFXZBTRAAFHQ-WBMJQRKESA-N 1 0 345.374 3.305 20 5 EGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](C)CCCO ZINC000296656074 456003283 /nfs/dbraw/zinc/00/32/83/456003283.db2.gz ZISCVRVHSGLWBP-UONOGXRCSA-N 1 0 326.462 3.464 20 5 EGBDRO O=[N+]([O-])c1cc(CN2CC[NH2+]C[C@H]2c2ccccc2Cl)cs1 ZINC000262247017 456016757 /nfs/dbraw/zinc/01/67/57/456016757.db2.gz PPRGGKPWCNZQQI-AWEZNQCLSA-N 1 0 337.832 3.456 20 5 EGBDRO CN(c1cc(C(F)(F)F)ncc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000286288822 456016861 /nfs/dbraw/zinc/01/68/61/456016861.db2.gz HKPDDXAQDDMCQN-ZACCUICWSA-N 1 0 344.337 3.070 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](CC1CC1)CC1CCC1 ZINC000280691146 456032409 /nfs/dbraw/zinc/03/24/09/456032409.db2.gz HPPRQEGMWIJRPP-UHFFFAOYSA-N 1 0 347.415 3.054 20 5 EGBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H](O)c2ccc(C)o2)cc1[N+](=O)[O-] ZINC000271134004 456136741 /nfs/dbraw/zinc/13/67/41/456136741.db2.gz MMIUMVTXEAUMIJ-WFASDCNBSA-N 1 0 334.372 3.279 20 5 EGBDRO CC(C)(C)c1ccc(C(=O)NC[C@H]([NH3+])c2ccccc2)cc1[N+](=O)[O-] ZINC000236577736 456157578 /nfs/dbraw/zinc/15/75/78/456157578.db2.gz NBNMHMWIMIXHMG-INIZCTEOSA-N 1 0 341.411 3.322 20 5 EGBDRO CC1(C2CC[NH+](C/C=C/c3ccccc3[N+](=O)[O-])CC2)OCCO1 ZINC000271198455 456169090 /nfs/dbraw/zinc/16/90/90/456169090.db2.gz SJFGXXSYXJFOIN-GQCTYLIASA-N 1 0 332.400 3.083 20 5 EGBDRO C[C@@H]1C[C@@H](CC[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CCO1 ZINC000273084247 456173347 /nfs/dbraw/zinc/17/33/47/456173347.db2.gz RHSMBDNYHWZNQG-NEPJUHHUSA-N 1 0 344.358 3.491 20 5 EGBDRO O=[N+]([O-])c1cc(Br)cnc1NCCC[NH+]1CCCCC1 ZINC000301680642 456184625 /nfs/dbraw/zinc/18/46/25/456184625.db2.gz JNDYUYJEXJTTSR-UHFFFAOYSA-N 1 0 343.225 3.040 20 5 EGBDRO C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000281317946 456199669 /nfs/dbraw/zinc/19/96/69/456199669.db2.gz RATNBJKPZFJSRH-QVDUIBETSA-N 1 0 336.407 3.495 20 5 EGBDRO Cc1nc(N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000297398277 456209286 /nfs/dbraw/zinc/20/92/86/456209286.db2.gz FORAFIOWLFHJNR-CZUORRHYSA-N 1 0 341.415 3.158 20 5 EGBDRO CCC(=O)c1ccc(N(C)[C@H](C)C2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000281498472 456249781 /nfs/dbraw/zinc/24/97/81/456249781.db2.gz OLIQKWPCCGWKBW-CYBMUJFWSA-N 1 0 333.432 3.354 20 5 EGBDRO C[C@@H]1CN(Cc2cccc(CNc3sccc3[N+](=O)[O-])c2)CCO1 ZINC000301984080 456263892 /nfs/dbraw/zinc/26/38/92/456263892.db2.gz ITSLCWGOFIJFIL-CYBMUJFWSA-N 1 0 347.440 3.489 20 5 EGBDRO C[C@H](C[NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(C(F)(F)F)cc1 ZINC000290202175 456266411 /nfs/dbraw/zinc/26/64/11/456266411.db2.gz DCNQBWPXYQNNBZ-LLVKDONJSA-N 1 0 342.321 3.203 20 5 EGBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000336790700 456308358 /nfs/dbraw/zinc/30/83/58/456308358.db2.gz LUYKATLLKTZWPJ-BBRMVZONSA-N 1 0 343.431 3.195 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]1C1CCOCC1 ZINC000347695340 456310643 /nfs/dbraw/zinc/31/06/43/456310643.db2.gz YRMLPLIVWVTPFO-KRWDZBQOSA-N 1 0 334.416 3.385 20 5 EGBDRO C[C@H](CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)[N@@H+]1CCCC[C@@H]1C ZINC000342926024 456318422 /nfs/dbraw/zinc/31/84/22/456318422.db2.gz OIPIJWLBRRBRGG-QWHCGFSZSA-N 1 0 344.415 3.069 20 5 EGBDRO COc1cc(C[NH2+]CC2(C)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000352810311 456328525 /nfs/dbraw/zinc/32/85/25/456328525.db2.gz MULGWLDUUIPLBB-UHFFFAOYSA-N 1 0 330.331 3.137 20 5 EGBDRO COc1ccc(NC(=O)CC[N@H+](C)[C@H](C)c2ccco2)c([N+](=O)[O-])c1 ZINC000298173690 456382034 /nfs/dbraw/zinc/38/20/34/456382034.db2.gz QXBFTAAKYCRQAV-GFCCVEGCSA-N 1 0 347.371 3.218 20 5 EGBDRO CCC[N@@H+]1CCC[C@H]1CNCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000353120731 456503029 /nfs/dbraw/zinc/50/30/29/456503029.db2.gz RBLBSQYVYLNVLQ-AWEZNQCLSA-N 1 0 343.374 3.160 20 5 EGBDRO CO[C@H]1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@H](C)C1 ZINC000282421266 456508061 /nfs/dbraw/zinc/50/80/61/456508061.db2.gz QULCZOBOFWXZSF-CJNGLKHVSA-N 1 0 345.399 3.292 20 5 EGBDRO C[NH+](C)Cc1ccc(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)cc1 ZINC000340566921 456535664 /nfs/dbraw/zinc/53/56/64/456535664.db2.gz UPKOBSQMEIGWEU-UHFFFAOYSA-N 1 0 338.367 3.390 20 5 EGBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H](O)c1c(F)cccc1F ZINC000282567640 456555558 /nfs/dbraw/zinc/55/55/58/456555558.db2.gz ZFDBHZZXWLWHIA-INIZCTEOSA-N 1 0 336.338 3.081 20 5 EGBDRO CC[C@H]([NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)C1CCOCC1 ZINC000343382757 456576848 /nfs/dbraw/zinc/57/68/48/456576848.db2.gz HGUFJPGOXWLTJR-HIFRSBDPSA-N 1 0 349.431 3.025 20 5 EGBDRO CC(C)c1ccc(C[NH2+][C@@H]2CCO[C@H]2c2nccn2C)cc1[N+](=O)[O-] ZINC000343405478 456598349 /nfs/dbraw/zinc/59/83/49/456598349.db2.gz SKMFVCGPIKYZGQ-NVXWUHKLSA-N 1 0 344.415 3.072 20 5 EGBDRO CC[C@H]1CN(c2nc(C)ccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000353280163 456606143 /nfs/dbraw/zinc/60/61/43/456606143.db2.gz ADDIFTMANBCECJ-KRWDZBQOSA-N 1 0 340.427 3.399 20 5 EGBDRO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@@](CO)(Cc3ccccc3)C2)c1 ZINC000291361077 456618364 /nfs/dbraw/zinc/61/83/64/456618364.db2.gz YHBBLXNUOHNIJU-HXUWFJFHSA-N 1 0 340.423 3.412 20 5 EGBDRO O=C(Cc1ccccc1[N+](=O)[O-])NCCCCCCC[NH+]1CCCC1 ZINC000299191887 456630466 /nfs/dbraw/zinc/63/04/66/456630466.db2.gz IGQPLJWBWBQASY-UHFFFAOYSA-N 1 0 347.459 3.300 20 5 EGBDRO CCOc1cc(CN2CC[C@@H](C[NH+](CC)CC)C2)ccc1[N+](=O)[O-] ZINC000276989153 456642244 /nfs/dbraw/zinc/64/22/44/456642244.db2.gz ZQIIQLMPMHUVOP-INIZCTEOSA-N 1 0 335.448 3.157 20 5 EGBDRO CC[NH+](CC)[C@@H](CNC(=O)c1csc([N+](=O)[O-])c1)c1ccco1 ZINC000299310935 456654827 /nfs/dbraw/zinc/65/48/27/456654827.db2.gz BPIORPIIJPAHAQ-LBPRGKRZSA-N 1 0 337.401 3.062 20 5 EGBDRO CC1(C)C[C@H]([NH2+][C@@H]2CCC(=O)NC23CCC3)c2cc([N+](=O)[O-])ccc21 ZINC000282958102 456674461 /nfs/dbraw/zinc/67/44/61/456674461.db2.gz CJLFBJBVMDEOMH-JKSUJKDBSA-N 1 0 343.427 3.108 20 5 EGBDRO CC(C)[N@@H+]1CCCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000340817543 456700353 /nfs/dbraw/zinc/70/03/53/456700353.db2.gz MDGDITXSHVSYKF-UHFFFAOYSA-N 1 0 344.415 3.166 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000277164035 456703326 /nfs/dbraw/zinc/70/33/26/456703326.db2.gz YMVQQOHPKINPLU-AWEZNQCLSA-N 1 0 334.420 3.160 20 5 EGBDRO C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000343561044 456707048 /nfs/dbraw/zinc/70/70/48/456707048.db2.gz HUMKGZSAPCJZSY-UONOGXRCSA-N 1 0 339.395 3.051 20 5 EGBDRO O=C(CC[N@@H+]1CCC[C@H]1c1ccncc1)Nc1ccccc1[N+](=O)[O-] ZINC000299565798 456730369 /nfs/dbraw/zinc/73/03/69/456730369.db2.gz GYDRMICZYOJGAZ-INIZCTEOSA-N 1 0 340.383 3.156 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](C[C@H]3CCCC(F)(F)C3)C2)nc1 ZINC000338272457 456742534 /nfs/dbraw/zinc/74/25/34/456742534.db2.gz CNBLGSIVYRMYNE-QWHCGFSZSA-N 1 0 340.374 3.302 20 5 EGBDRO CC(C)(C)OC(=O)NCC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000299636755 456750269 /nfs/dbraw/zinc/75/02/69/456750269.db2.gz OYGQCLVLKXMVHP-UHFFFAOYSA-N 1 0 349.431 3.332 20 5 EGBDRO COc1ccc(C[NH+]2CCC(c3ccncc3)CC2)cc1[N+](=O)[O-] ZINC000277298578 456767196 /nfs/dbraw/zinc/76/71/96/456767196.db2.gz UBIYKXSKJYMQJA-UHFFFAOYSA-N 1 0 327.384 3.378 20 5 EGBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C[C@@H]1OCCc2ccccc21 ZINC000283545165 456799730 /nfs/dbraw/zinc/79/97/30/456799730.db2.gz MYAPHNDHLWYPAW-SFHVURJKSA-N 1 0 330.359 3.480 20 5 EGBDRO CCc1ccc(C(=O)NCC[N@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000348743836 456837090 /nfs/dbraw/zinc/83/70/90/456837090.db2.gz PXDMUJDURYPONS-UHFFFAOYSA-N 1 0 341.411 3.019 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1CN(C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000353746304 456885732 /nfs/dbraw/zinc/88/57/32/456885732.db2.gz JVJUTMWABRUJJG-GDBMZVCRSA-N 1 0 335.448 3.298 20 5 EGBDRO Cc1cc(NC[C@@]2([NH+](C)C)CCSC2)c2cccc([N+](=O)[O-])c2n1 ZINC000345085096 456919576 /nfs/dbraw/zinc/91/95/76/456919576.db2.gz ZTZRVHROMLWSQU-KRWDZBQOSA-N 1 0 346.456 3.301 20 5 EGBDRO C[C@]1(CO)CCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000339106889 456943705 /nfs/dbraw/zinc/94/37/05/456943705.db2.gz BOFRQIORFOWLIH-UONOGXRCSA-N 1 0 332.322 3.254 20 5 EGBDRO CN(C(=O)C[NH2+][C@@H](c1cccs1)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000341844185 456968322 /nfs/dbraw/zinc/96/83/22/456968322.db2.gz UHZVBFXGBCVARS-QGZVFWFLSA-N 1 0 345.424 3.360 20 5 EGBDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000330599578 457059132 /nfs/dbraw/zinc/05/91/32/457059132.db2.gz UGWKUTYVLCVMMN-HUUCEWRRSA-N 1 0 347.459 3.010 20 5 EGBDRO C[NH+](C)CCc1ccccc1NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000354198670 457124051 /nfs/dbraw/zinc/12/40/51/457124051.db2.gz KRQMHIHEOIYHKH-UHFFFAOYSA-N 1 0 331.347 3.090 20 5 EGBDRO CSc1cccc(C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000331153861 457140177 /nfs/dbraw/zinc/14/01/77/457140177.db2.gz VCMWWXHXMYXRND-CYBMUJFWSA-N 1 0 349.456 3.017 20 5 EGBDRO CO[C@H]1CCCN(c2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000359898329 457140358 /nfs/dbraw/zinc/14/03/58/457140358.db2.gz LEMYYKREKLVBBI-INIZCTEOSA-N 1 0 342.399 3.366 20 5 EGBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[C@H]1C ZINC000354389563 457194426 /nfs/dbraw/zinc/19/44/26/457194426.db2.gz JBWXYFNNLKSCRR-RISCZKNCSA-N 1 0 339.823 3.193 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1CCCn2cc(C)nc21 ZINC000360141140 457272034 /nfs/dbraw/zinc/27/20/34/457272034.db2.gz OFKZVRGCBCEYKS-AWEZNQCLSA-N 1 0 344.415 3.166 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@H](C)C1CCC1 ZINC000357031436 457287130 /nfs/dbraw/zinc/28/71/30/457287130.db2.gz FZIXKVBIEHKXFQ-GFCCVEGCSA-N 1 0 335.404 3.052 20 5 EGBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000347233842 457302608 /nfs/dbraw/zinc/30/26/08/457302608.db2.gz NVVIXRSBFXFDHZ-CQSZACIVSA-N 1 0 338.383 3.120 20 5 EGBDRO C[C@H](C[N@H+](C)Cc1ccccc1)NCc1ccc([N+](=O)[O-])cc1F ZINC000342438960 457304604 /nfs/dbraw/zinc/30/46/04/457304604.db2.gz KKLBEIXGQGOGRN-CQSZACIVSA-N 1 0 331.391 3.344 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000332412006 457364262 /nfs/dbraw/zinc/36/42/62/457364262.db2.gz RTAPFWVCNXLFBU-HNNXBMFYSA-N 1 0 346.431 3.065 20 5 EGBDRO CO[C@@H]1CCC[N@@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000363679053 457413868 /nfs/dbraw/zinc/41/38/68/457413868.db2.gz UXSKEOJTRIRKSK-SWLSCSKDSA-N 1 0 346.387 3.207 20 5 EGBDRO COc1ccc(OCCN2CCC[C@@H]2c2cc(C)on2)c([N+](=O)[O-])c1 ZINC000369825205 457417310 /nfs/dbraw/zinc/41/73/10/457417310.db2.gz GXYQTFPGJIJKOY-OAHLLOKOSA-N 1 0 347.371 3.116 20 5 EGBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000360896164 457417972 /nfs/dbraw/zinc/41/79/72/457417972.db2.gz DITZFPQGKCBPRV-GOEBONIOSA-N 1 0 349.479 3.210 20 5 EGBDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000425058661 457423866 /nfs/dbraw/zinc/42/38/66/457423866.db2.gz PBHYQYMOSUSKHK-WMLDXEAASA-N 1 0 345.443 3.059 20 5 EGBDRO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])c(N)c1F)c1cccc(F)c1 ZINC000356192825 457521176 /nfs/dbraw/zinc/52/11/76/457521176.db2.gz OIHPCOKLUAVFNY-CQSZACIVSA-N 1 0 336.342 3.170 20 5 EGBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000361045894 457539633 /nfs/dbraw/zinc/53/96/33/457539633.db2.gz ZDSVFUZXLSUHLU-XJKSGUPXSA-N 1 0 343.431 3.195 20 5 EGBDRO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC[NH+](C)C ZINC000347602475 457541746 /nfs/dbraw/zinc/54/17/46/457541746.db2.gz PUXIFKSCKMWJPC-UHFFFAOYSA-N 1 0 339.461 3.121 20 5 EGBDRO CSC1(CNc2ccc([N+](=O)[O-])c3cccnc23)CC[NH+](C)CC1 ZINC000357565101 457598366 /nfs/dbraw/zinc/59/83/66/457598366.db2.gz JSHAMGSZSIUHEW-UHFFFAOYSA-N 1 0 346.456 3.382 20 5 EGBDRO CCc1cnccc1[C@H](C)[NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000361134614 457604747 /nfs/dbraw/zinc/60/47/47/457604747.db2.gz HJMXDGGBSGVYHF-QWHCGFSZSA-N 1 0 342.399 3.230 20 5 EGBDRO C[C@H]1[C@H](C)[N@H+](C)CCN1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000361151061 457614670 /nfs/dbraw/zinc/61/46/70/457614670.db2.gz CMEXHPXRVXFRQE-STQMWFEESA-N 1 0 346.456 3.243 20 5 EGBDRO C[C@@H]1C[C@@H](CCNc2ncc([N+](=O)[O-])s2)C[N@@H+]1Cc1ccccc1 ZINC000409730067 457615977 /nfs/dbraw/zinc/61/59/77/457615977.db2.gz GHIAEGIWPFNSSE-UKRRQHHQSA-N 1 0 346.456 3.186 20 5 EGBDRO COc1ccc(NC(=O)C[N@@H+]2C[C@@H](C)CCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000357746201 457676168 /nfs/dbraw/zinc/67/61/68/457676168.db2.gz OZWNKJYODWFTBF-QWHCGFSZSA-N 1 0 335.404 3.052 20 5 EGBDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cnc(C4CCC4)s3)CC2)n1 ZINC000425982321 457752001 /nfs/dbraw/zinc/75/20/01/457752001.db2.gz VZKCKBYNWMMITP-UHFFFAOYSA-N 1 0 347.444 3.352 20 5 EGBDRO CC(C)(C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)N1CCOCC1 ZINC000433168539 457768664 /nfs/dbraw/zinc/76/86/64/457768664.db2.gz NJSUZWDZEOMXND-KRWDZBQOSA-N 1 0 347.459 3.018 20 5 EGBDRO CC(C)O[C@@H]1C[C@@H]([NH2+][C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1(C)C ZINC000361553840 457793955 /nfs/dbraw/zinc/79/39/55/457793955.db2.gz YCTKUASMUYJRAH-DAXOMENPSA-N 1 0 349.431 3.104 20 5 EGBDRO CC(C)(C)N1C[C@@H]([NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1=O ZINC000433281091 457797385 /nfs/dbraw/zinc/79/73/85/457797385.db2.gz AQKLBRYLGHPDEQ-LRDDRELGSA-N 1 0 345.443 3.306 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C)C[C@@H](C)C1 ZINC000443663726 457801491 /nfs/dbraw/zinc/80/14/91/457801491.db2.gz YQRKJUUHQCIETA-MCIONIFRSA-N 1 0 349.431 3.298 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+](CCO)Cc1cccc(F)c1 ZINC000426382220 457818198 /nfs/dbraw/zinc/81/81/98/457818198.db2.gz PZVWRYUNBYNKML-DAXSKMNVSA-N 1 0 330.359 3.242 20 5 EGBDRO COc1ccc(NC(=O)CC[N@H+](C)[C@@H]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000411171368 457819975 /nfs/dbraw/zinc/81/99/75/457819975.db2.gz DHFPQBXHQGYWNC-ZIAGYGMSSA-N 1 0 349.431 3.443 20 5 EGBDRO CC[C@@](C)([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1nccs1 ZINC000411380045 457869751 /nfs/dbraw/zinc/86/97/51/457869751.db2.gz CGHMQWQMQWZQOW-MRXNPFEDSA-N 1 0 348.428 3.295 20 5 EGBDRO C[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC[C@@H]1C ZINC000411409827 457878809 /nfs/dbraw/zinc/87/88/09/457878809.db2.gz RIZKRVAWWYGXNC-IHETXDGRSA-N 1 0 345.443 3.077 20 5 EGBDRO C[C@@H](c1ccncc1)[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411422438 457884187 /nfs/dbraw/zinc/88/41/87/457884187.db2.gz NPXDADLPPRMVGD-ZDUSSCGKSA-N 1 0 328.372 3.011 20 5 EGBDRO C[NH+]1CCC2(CCCN(c3ccc([N+](=O)[O-])c4cccnc43)C2)CC1 ZINC000366828564 457902953 /nfs/dbraw/zinc/90/29/53/457902953.db2.gz DNLYWICIFXWRMQ-UHFFFAOYSA-N 1 0 340.427 3.455 20 5 EGBDRO CCC1(CC)[C@H](OC)C[C@H]1[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444667638 457932939 /nfs/dbraw/zinc/93/29/39/457932939.db2.gz YOXSABCFOIHRPL-HZPDHXFCSA-N 1 0 346.431 3.497 20 5 EGBDRO CCC1(CC)[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H](C)[C@@H]1OC ZINC000444695201 457944088 /nfs/dbraw/zinc/94/40/88/457944088.db2.gz DUYYCZIBTIZXOT-LQAWEQHXSA-N 1 0 346.431 3.400 20 5 EGBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000458163459 457950874 /nfs/dbraw/zinc/95/08/74/457950874.db2.gz JJCKSLJNVKAZIR-AWEZNQCLSA-N 1 0 347.459 3.354 20 5 EGBDRO CCCC[C@H](C)[N@H+](C)CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000411747140 457968608 /nfs/dbraw/zinc/96/86/08/457968608.db2.gz PTGWBCCJBPLERU-ZDUSSCGKSA-N 1 0 337.420 3.443 20 5 EGBDRO COc1ccc(NC(=O)CC[N@H+](C)C2CC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000411815509 457985790 /nfs/dbraw/zinc/98/57/90/457985790.db2.gz GFZWSAAKWMNAMV-UHFFFAOYSA-N 1 0 335.404 3.052 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000434425097 457992796 /nfs/dbraw/zinc/99/27/96/457992796.db2.gz MNCBUYQGGHYKIU-MRXNPFEDSA-N 1 0 345.443 3.267 20 5 EGBDRO CCOc1cc(C[NH2+][C@@H]2Cc3ccccc3[C@@H]2OC)ccc1[N+](=O)[O-] ZINC000411891228 458004253 /nfs/dbraw/zinc/00/42/53/458004253.db2.gz GNGJWHPTLXPNTK-APWZRJJASA-N 1 0 342.395 3.396 20 5 EGBDRO COc1cc(C[NH2+][C@@H](C)[C@](C)(OC)C2CC2)c([N+](=O)[O-])cc1F ZINC000411974282 458028415 /nfs/dbraw/zinc/02/84/15/458028415.db2.gz TUITXDBFKYICGI-QFYYESIMSA-N 1 0 326.368 3.036 20 5 EGBDRO COc1ccc(-c2ccc(C[N@H+](C)CCCCCO)o2)c([N+](=O)[O-])c1 ZINC000435053444 458087289 /nfs/dbraw/zinc/08/72/89/458087289.db2.gz QPALYWKKFITDKD-UHFFFAOYSA-N 1 0 348.399 3.458 20 5 EGBDRO CCc1ccccc1C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000445810982 458092008 /nfs/dbraw/zinc/09/20/08/458092008.db2.gz NEMRLYQUAWRDGB-INIZCTEOSA-N 1 0 326.400 3.239 20 5 EGBDRO CN(CCC[NH+]1CCCC1)c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000358663351 458136770 /nfs/dbraw/zinc/13/67/70/458136770.db2.gz KIXHYUGJPQYCLC-UHFFFAOYSA-N 1 0 329.347 3.118 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@]2(CO)C[C@@H]2c2ccc(F)cc2)c(F)c1 ZINC000428552491 458168083 /nfs/dbraw/zinc/16/80/83/458168083.db2.gz VLOFAHVATYWGNY-AEFFLSMTSA-N 1 0 348.349 3.129 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CC(Cc3ccc(F)c(F)c3)C2)c1 ZINC000369408136 458205648 /nfs/dbraw/zinc/20/56/48/458205648.db2.gz KAICCTLQESIFCP-GOSISDBHSA-N 1 0 348.349 3.081 20 5 EGBDRO CCOC(=O)[C@@H](C)[C@@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000358806127 458229190 /nfs/dbraw/zinc/22/91/90/458229190.db2.gz IYSZEWADJITZGU-QWHCGFSZSA-N 1 0 338.404 3.059 20 5 EGBDRO CC(C)c1ccc([C@H]([NH3+])CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)cc1 ZINC000428898584 458229246 /nfs/dbraw/zinc/22/92/46/458229246.db2.gz VQZGQVHLAXKYBL-QGZVFWFLSA-N 1 0 345.374 3.287 20 5 EGBDRO C[C@@H](C1CCCCC1)[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000447397088 458292091 /nfs/dbraw/zinc/29/20/91/458292091.db2.gz MQHBTVNFZHFXKL-GOEBONIOSA-N 1 0 336.432 3.235 20 5 EGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]Cc2cc(F)cc(F)c2)n1 ZINC000447548118 458308665 /nfs/dbraw/zinc/30/86/65/458308665.db2.gz GFRZPSXNAICGQF-LSDHHAIUSA-N 1 0 336.342 3.343 20 5 EGBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000430129231 458406812 /nfs/dbraw/zinc/40/68/12/458406812.db2.gz HZYHPENNDJKTNK-VSFLAONQSA-N 1 0 329.444 3.270 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](Cc1ccccc1)[C@@H](C)CCO ZINC000430211162 458421761 /nfs/dbraw/zinc/42/17/61/458421761.db2.gz HLPBSMUUMTVQKS-HNNXBMFYSA-N 1 0 344.411 3.377 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000423657300 458468971 /nfs/dbraw/zinc/46/89/71/458468971.db2.gz VRPMOJSESWUPOF-UHFFFAOYSA-N 1 0 343.358 3.249 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)C[C@H](C)C(=O)OC(C)(C)C ZINC000459787425 458478463 /nfs/dbraw/zinc/47/84/63/458478463.db2.gz CLGNBUKIWASEGR-LBPRGKRZSA-N 1 0 338.404 3.013 20 5 EGBDRO [NH3+]C[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)C1CCCC1 ZINC000423938761 458517480 /nfs/dbraw/zinc/51/74/80/458517480.db2.gz JXOBLYYQSKSSEQ-ZDUSSCGKSA-N 1 0 333.413 3.057 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cccnc1-n1cccn1 ZINC000468626836 458528279 /nfs/dbraw/zinc/52/82/79/458528279.db2.gz JSYGJJOCVIILHV-RVDMUPIBSA-N 1 0 349.394 3.369 20 5 EGBDRO C[C@@H]1CC(=O)NCC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000377889938 458564687 /nfs/dbraw/zinc/56/46/87/458564687.db2.gz RCEGTALWSARNLJ-GFCCVEGCSA-N 1 0 345.424 3.034 20 5 EGBDRO Cc1cc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(F)cc1[N+](=O)[O-] ZINC000461934418 458580056 /nfs/dbraw/zinc/58/00/56/458580056.db2.gz GRQWLTVRYJOXIP-CZUORRHYSA-N 1 0 333.407 3.495 20 5 EGBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@]3(CCCc4ccccc43)C2)c1 ZINC000438553637 458596030 /nfs/dbraw/zinc/59/60/30/458596030.db2.gz MQUMHBBFPNGSFB-IBGZPJMESA-N 1 0 340.427 3.161 20 5 EGBDRO CCCNC(=O)[C@@H]1CCC[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000470183839 458623407 /nfs/dbraw/zinc/62/34/07/458623407.db2.gz SMIAGUADGRYILZ-GSPCDJLXSA-N 1 0 345.443 3.236 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCO[C@@H](COCC2CC2)C1 ZINC000470218119 458625055 /nfs/dbraw/zinc/62/50/55/458625055.db2.gz LUIQOCJVSATLNX-RNYZQXAPSA-N 1 0 346.427 3.126 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCO[C@H](COCC2CC2)C1 ZINC000470218118 458625124 /nfs/dbraw/zinc/62/51/24/458625124.db2.gz LUIQOCJVSATLNX-QLTJYVKOSA-N 1 0 346.427 3.126 20 5 EGBDRO Cn1nccc1[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000494190531 458638867 /nfs/dbraw/zinc/63/88/67/458638867.db2.gz BPQQBIWWUPDFAX-GFCCVEGCSA-N 1 0 334.807 3.361 20 5 EGBDRO O=[N+]([O-])c1cccc(OCC[NH2+][C@@H]2CCCC[C@H]2OC(F)F)c1 ZINC000502593511 458661139 /nfs/dbraw/zinc/66/11/39/458661139.db2.gz IEAADWVYWLVQAL-ZIAGYGMSSA-N 1 0 330.331 3.114 20 5 EGBDRO CCC[C@@H]1[C@H](C)CCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000464739699 458767180 /nfs/dbraw/zinc/76/71/80/458767180.db2.gz PHVGQWSBOZNPEU-CZUORRHYSA-N 1 0 349.431 3.443 20 5 EGBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@]3(CCCc4ccccc43)C2)n1 ZINC000440336865 458805992 /nfs/dbraw/zinc/80/59/92/458805992.db2.gz XLQSKGMSZNBXPP-LJQANCHMSA-N 1 0 340.427 3.161 20 5 EGBDRO CCC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000548160540 458846991 /nfs/dbraw/zinc/84/69/91/458846991.db2.gz HDXKOHYWOWMOJX-BZUAXINKSA-N 1 0 336.432 3.283 20 5 EGBDRO COC(=O)C[C@@H]1CC[C@H]([NH2+]CCCCc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000474801181 458902191 /nfs/dbraw/zinc/90/21/91/458902191.db2.gz XBOBDAGOHDHZLV-ZVZYQTTQSA-N 1 0 348.443 3.485 20 5 EGBDRO CC(C)C[C@H]1CCCC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000466664489 458911166 /nfs/dbraw/zinc/91/11/66/458911166.db2.gz LBEWBWVPAVBMOI-QGZVFWFLSA-N 1 0 333.432 3.458 20 5 EGBDRO COC(=O)[C@@H]1CC[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000475363901 458938789 /nfs/dbraw/zinc/93/87/89/458938789.db2.gz YBWAPBLDRKPKIH-DGCDQZBQSA-N 1 0 332.400 3.129 20 5 EGBDRO COc1cc(C[N@@H+]2CC[C@H](c3cccnc3)C2)c([N+](=O)[O-])cc1F ZINC000577489790 459040902 /nfs/dbraw/zinc/04/09/02/459040902.db2.gz YMFBAGTZYDJQJU-ZDUSSCGKSA-N 1 0 331.347 3.127 20 5 EGBDRO CC(=O)NCC[C@H]1CCC[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000567085666 459045490 /nfs/dbraw/zinc/04/54/90/459045490.db2.gz DDVKFMHXIRZZQF-JBXOJTMHSA-N 1 0 345.443 3.236 20 5 EGBDRO CC[C@H](Cc1ccc(C)cc1)[N@H+](CC)CCn1ccc([N+](=O)[O-])n1 ZINC000478034871 459073432 /nfs/dbraw/zinc/07/34/32/459073432.db2.gz BMSYGEREZWGHLN-QGZVFWFLSA-N 1 0 330.432 3.443 20 5 EGBDRO CN(CCCC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000590266363 459106599 /nfs/dbraw/zinc/10/65/99/459106599.db2.gz ZMJPADZQXNPHPL-UHFFFAOYSA-N 1 0 347.337 3.027 20 5 EGBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC(C)(C)[C@@H]3CCC[C@@H]32)c1 ZINC000590379657 459122391 /nfs/dbraw/zinc/12/23/91/459122391.db2.gz KOLWVLIFAJDLGE-ZBFHGGJFSA-N 1 0 332.400 3.392 20 5 EGBDRO CC[NH+](CC)CCSCC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000590551242 459147198 /nfs/dbraw/zinc/14/71/98/459147198.db2.gz UJXONPWWFGFQQE-UHFFFAOYSA-N 1 0 339.461 3.225 20 5 EGBDRO CC[C@@H](C)[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000532968212 459168640 /nfs/dbraw/zinc/16/86/40/459168640.db2.gz YAKSCINQUJDVGI-CZUORRHYSA-N 1 0 349.431 3.443 20 5 EGBDRO Cc1cnc([C@H](C)C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])s1 ZINC000578316869 459181472 /nfs/dbraw/zinc/18/14/72/459181472.db2.gz QNTWGLKIIYGWQZ-LLVKDONJSA-N 1 0 348.428 3.082 20 5 EGBDRO Cc1ccc(C[N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nc1 ZINC000590754952 459205282 /nfs/dbraw/zinc/20/52/82/459205282.db2.gz VNYKKNQWGNSSFT-UHFFFAOYSA-N 1 0 342.399 3.067 20 5 EGBDRO Cn1cc(C[NH2+]CCCc2ccco2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000594997217 459209726 /nfs/dbraw/zinc/20/97/26/459209726.db2.gz JJNRDZFYISVNAM-UHFFFAOYSA-N 1 0 340.383 3.311 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1cccc(S(C)(=O)=O)c1 ZINC000590779421 459213776 /nfs/dbraw/zinc/21/37/76/459213776.db2.gz SMWZLAOUOPOBTG-CYBMUJFWSA-N 1 0 348.424 3.158 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCC(=O)N1CCCCCC1 ZINC000595012940 459215731 /nfs/dbraw/zinc/21/57/31/459215731.db2.gz GJPSSWMIXKLBBZ-AWEZNQCLSA-N 1 0 349.431 3.047 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000595025967 459221270 /nfs/dbraw/zinc/22/12/70/459221270.db2.gz LQYZGAFHAYEDKN-WPUCRFQZSA-N 1 0 332.400 3.212 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H](O)CCc1ccccc1 ZINC000595034521 459223505 /nfs/dbraw/zinc/22/35/05/459223505.db2.gz WSJDYHPWSNFKLP-WMLDXEAASA-N 1 0 344.411 3.248 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CCCN2CCCC[C@@H]12 ZINC000595047769 459227751 /nfs/dbraw/zinc/22/77/51/459227751.db2.gz SWKNPXAXUNBJMK-JQFCIGGWSA-N 1 0 333.432 3.271 20 5 EGBDRO Cn1ncc(C2CC2)c1C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000595078017 459238322 /nfs/dbraw/zinc/23/83/22/459238322.db2.gz SBEBRLYDJYSQPF-QGZVFWFLSA-N 1 0 340.427 3.317 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H](O)[C@H](C)c1ccccc1 ZINC000595107641 459246797 /nfs/dbraw/zinc/24/67/97/459246797.db2.gz OZSCLPWPPHKLGW-GLJUWKHASA-N 1 0 344.411 3.419 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@H]1CCCC[C@H]1O ZINC000481386295 459249282 /nfs/dbraw/zinc/24/92/82/459249282.db2.gz YORBIISUKKPBEY-RHSMWYFYSA-N 1 0 336.432 3.365 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(N2CCC[N@H+](CC3CCCCC3)CC2)n1 ZINC000481706447 459270008 /nfs/dbraw/zinc/27/00/08/459270008.db2.gz NBVMXGFPYPRLHU-UHFFFAOYSA-N 1 0 332.448 3.391 20 5 EGBDRO CC[N@H+](Cc1onc(C)c1[N+](=O)[O-])[C@@H](C)Cc1ccc(OC)cc1 ZINC000595313071 459274147 /nfs/dbraw/zinc/27/41/47/459274147.db2.gz RXYRSTDIPZBBPE-LBPRGKRZSA-N 1 0 333.388 3.353 20 5 EGBDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595334320 459278231 /nfs/dbraw/zinc/27/82/31/459278231.db2.gz MNDSZYWGJJOQBO-SFHVURJKSA-N 1 0 343.402 3.440 20 5 EGBDRO CCCNC(=O)C1([NH2+]Cc2ccc(F)cc2[N+](=O)[O-])CCCCC1 ZINC000595385031 459288167 /nfs/dbraw/zinc/28/81/67/459288167.db2.gz SASHFGSJFAEVRM-UHFFFAOYSA-N 1 0 337.395 3.053 20 5 EGBDRO C[C@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC[C@H]1C ZINC000523496269 459309799 /nfs/dbraw/zinc/30/97/99/459309799.db2.gz NURHNSWQTXOALE-HUUCEWRRSA-N 1 0 347.459 3.252 20 5 EGBDRO CC(C)[N@@H+]1CC[C@H](CNc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)C1 ZINC000560193548 459311061 /nfs/dbraw/zinc/31/10/61/459311061.db2.gz KJMACZOXJMJEAJ-CYBMUJFWSA-N 1 0 346.456 3.282 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC(CO)([NH2+]CC(C)C)CC1 ZINC000595510908 459330566 /nfs/dbraw/zinc/33/05/66/459330566.db2.gz DWVUWVDXTYGCEQ-MRXNPFEDSA-N 1 0 349.475 3.037 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000591270323 459344741 /nfs/dbraw/zinc/34/47/41/459344741.db2.gz LTRJXNCHDKCEDK-INIZCTEOSA-N 1 0 346.431 3.145 20 5 EGBDRO Cc1ccc(NC(=O)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000591270349 459344911 /nfs/dbraw/zinc/34/49/11/459344911.db2.gz XOANRSYPEFZFFF-GJZGRUSLSA-N 1 0 346.431 3.147 20 5 EGBDRO CC(C)(C)[C@H]1CCC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000483248803 459353427 /nfs/dbraw/zinc/35/34/27/459353427.db2.gz GPATTYICVZMKNW-HOCLYGCPSA-N 1 0 336.432 3.093 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](CC1CC1)CC1CCC1 ZINC000483260883 459354629 /nfs/dbraw/zinc/35/46/29/459354629.db2.gz DPZIUVRDZIIATC-UHFFFAOYSA-N 1 0 331.416 3.354 20 5 EGBDRO CCCCO[C@H]1C[C@H]([NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])C1(C)C ZINC000569134068 459402240 /nfs/dbraw/zinc/40/22/40/459402240.db2.gz DXPHNPMVJKVKCH-HOTGVXAUSA-N 1 0 349.431 3.107 20 5 EGBDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000485402185 459453529 /nfs/dbraw/zinc/45/35/29/459453529.db2.gz GZCAYKOQOUJIPM-QWHCGFSZSA-N 1 0 344.390 3.325 20 5 EGBDRO C[NH2+]C[C@H](C)NC(=O)c1ccc(SCCC(C)C)c([N+](=O)[O-])c1 ZINC000595981540 459491565 /nfs/dbraw/zinc/49/15/65/459491565.db2.gz DXUHKYARGIGYQG-LBPRGKRZSA-N 1 0 339.461 3.071 20 5 EGBDRO CO[C@@H](C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000596065034 459505949 /nfs/dbraw/zinc/50/59/49/459505949.db2.gz APNJTSCGFFYBDA-KRWDZBQOSA-N 1 0 349.431 3.108 20 5 EGBDRO CC[NH+](CC)[C@H](CNc1cc[nH]c(=O)c1[N+](=O)[O-])Cc1ccccc1 ZINC000596078635 459511453 /nfs/dbraw/zinc/51/14/53/459511453.db2.gz YDUPQYDVXAHFBC-HNNXBMFYSA-N 1 0 344.415 3.060 20 5 EGBDRO CC[NH+](CC)CC1CCN(c2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC000596081731 459512751 /nfs/dbraw/zinc/51/27/51/459512751.db2.gz ZANYUFXLDABJTP-UHFFFAOYSA-N 1 0 326.828 3.201 20 5 EGBDRO Cc1cc(NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])s1 ZINC000596143682 459536603 /nfs/dbraw/zinc/53/66/03/459536603.db2.gz GJCPIZAKWQVBJW-QGZVFWFLSA-N 1 0 347.440 3.014 20 5 EGBDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(c2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000596162830 459543364 /nfs/dbraw/zinc/54/33/64/459543364.db2.gz QKUGCFWQQQCEBY-CQSZACIVSA-N 1 0 347.463 3.053 20 5 EGBDRO CC1CC[NH+](C[C@H]2CCCN(c3ncc([N+](=O)[O-])cc3F)C2)CC1 ZINC000583486821 459547264 /nfs/dbraw/zinc/54/72/64/459547264.db2.gz RJPJOTRLHPUNQS-CQSZACIVSA-N 1 0 336.411 3.077 20 5 EGBDRO CC[N@H+](CCC1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1)CC1CC1 ZINC000596182030 459551636 /nfs/dbraw/zinc/55/16/36/459551636.db2.gz KICWHTWBJMZZCP-UHFFFAOYSA-N 1 0 348.447 3.034 20 5 EGBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000596243773 459573172 /nfs/dbraw/zinc/57/31/72/459573172.db2.gz JJQZLKFZIXOVTI-DOMZBBRYSA-N 1 0 344.390 3.325 20 5 EGBDRO O=[N+]([O-])c1ccc(C(F)(F)F)cc1-c1nc([C@H]2CCC[NH2+]2)no1 ZINC000592356385 459578279 /nfs/dbraw/zinc/57/82/79/459578279.db2.gz SYHHWYLIOYAAFN-SECBINFHSA-N 1 0 328.250 3.088 20 5 EGBDRO CC1=CCC[C@H](C)[C@@H]1C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000527201838 459606645 /nfs/dbraw/zinc/60/66/45/459606645.db2.gz PMEXGHMAXQUGNQ-DOTOQJQBSA-N 1 0 330.432 3.104 20 5 EGBDRO CCC(CC)[N@H+](CC)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000573041316 459614570 /nfs/dbraw/zinc/61/45/70/459614570.db2.gz IGPAURXWCNOVRN-UHFFFAOYSA-N 1 0 335.404 3.403 20 5 EGBDRO CCC[C@H](C)[C@@H]1CCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000543208685 459635643 /nfs/dbraw/zinc/63/56/43/459635643.db2.gz YCTGCDOCWPIOCF-JYJNAYRXSA-N 1 0 336.432 3.235 20 5 EGBDRO O=[N+]([O-])c1ccc(NCC2CC[NH+](Cc3ccncc3)CC2)s1 ZINC000596442871 459637620 /nfs/dbraw/zinc/63/76/20/459637620.db2.gz UWFIQQWJVQKVJK-UHFFFAOYSA-N 1 0 332.429 3.375 20 5 EGBDRO COc1cc(C[N@@H+]2CC[C@@H](c3ccncc3)C2)c([N+](=O)[O-])cc1F ZINC000573218013 459645552 /nfs/dbraw/zinc/64/55/52/459645552.db2.gz WXYMGWXUWIRBQV-CYBMUJFWSA-N 1 0 331.347 3.127 20 5 EGBDRO Cc1ccc(C[C@@H](CO)[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000527505691 459650602 /nfs/dbraw/zinc/65/06/02/459650602.db2.gz DEPJJPFPVHIGQU-RDJZCZTQSA-N 1 0 328.412 3.466 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1NCC1CC[NH+](CC3CC3)CC1)CCN2 ZINC000596562384 459677215 /nfs/dbraw/zinc/67/72/15/459677215.db2.gz MIFRLMQUTZJZFH-UHFFFAOYSA-N 1 0 330.432 3.097 20 5 EGBDRO Cc1ccc([C@H](C)C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000562995709 459690258 /nfs/dbraw/zinc/69/02/58/459690258.db2.gz LTFJREUBBFVUEW-NVXWUHKLSA-N 1 0 344.411 3.036 20 5 EGBDRO C[C@H](O)[C@@H]1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000543748175 459694742 /nfs/dbraw/zinc/69/47/42/459694742.db2.gz JZXHIGOZZDZTJG-DZGCQCFKSA-N 1 0 330.384 3.448 20 5 EGBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCN(C(C)(C)C)C2=O)cc1[N+](=O)[O-] ZINC000563127416 459721849 /nfs/dbraw/zinc/72/18/49/459721849.db2.gz XEFYEJCOOXCXOU-GXTWGEPZSA-N 1 0 349.431 3.044 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000585718687 459836509 /nfs/dbraw/zinc/83/65/09/459836509.db2.gz SYODIWYHFWZRAZ-DLBZAZTESA-N 1 0 347.459 3.151 20 5 EGBDRO CCOc1ccc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c(C)c1 ZINC000597115700 459840867 /nfs/dbraw/zinc/84/08/67/459840867.db2.gz BOFKDBLXDLEXMG-UHFFFAOYSA-N 1 0 344.415 3.336 20 5 EGBDRO O=[N+]([O-])c1cccc2c1CCN(Cc1ccnn1C1CCCC1)C2 ZINC000574875673 459886153 /nfs/dbraw/zinc/88/61/53/459886153.db2.gz AATAVMCGQSSSJC-UHFFFAOYSA-N 1 0 326.400 3.465 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCc2cc(O)ccc2C1 ZINC000618197881 459931011 /nfs/dbraw/zinc/93/10/11/459931011.db2.gz QMBQMPJNJMYOSL-MRXNPFEDSA-N 1 0 342.395 3.346 20 5 EGBDRO Cc1n[nH]cc1CCC[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602508524 459974503 /nfs/dbraw/zinc/97/45/03/459974503.db2.gz CQHRRHNOJJDGPM-UHFFFAOYSA-N 1 0 342.321 3.368 20 5 EGBDRO CC[C@@H](C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000575495198 459977610 /nfs/dbraw/zinc/97/76/10/459977610.db2.gz HEWSZMQXEPDYAJ-RDJZCZTQSA-N 1 0 344.411 3.118 20 5 EGBDRO C[C@H]1C[C@H](C)C[NH+](CCCNCc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602515469 459978668 /nfs/dbraw/zinc/97/86/68/459978668.db2.gz WALNIIBDOGWWEU-KBPBESRZSA-N 1 0 346.431 3.194 20 5 EGBDRO Cn1cc(CCC[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cn1 ZINC000602529547 459985666 /nfs/dbraw/zinc/98/56/66/459985666.db2.gz PZQCQHVLPWKZJR-UHFFFAOYSA-N 1 0 342.321 3.070 20 5 EGBDRO C[NH+](C)CC[C@@H](NCc1nc2cc([N+](=O)[O-])ccc2o1)C(C)(C)C ZINC000602544743 459990893 /nfs/dbraw/zinc/99/08/93/459990893.db2.gz KJDBRGDSZQNQTJ-OAHLLOKOSA-N 1 0 334.420 3.192 20 5 EGBDRO C[C@H](O)C[C@H](C[NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000602569180 460000962 /nfs/dbraw/zinc/00/09/62/460000962.db2.gz OSPKRWPXBIENBT-MAUKXSAKSA-N 1 0 328.412 3.282 20 5 EGBDRO O=[N+]([O-])c1sc(C[NH2+][C@H]2CC[C@H](CO)CC2)cc1Br ZINC000602568343 460001632 /nfs/dbraw/zinc/00/16/32/460001632.db2.gz KFBFJLDAVQBEKX-KYZUINATSA-N 1 0 349.250 3.060 20 5 EGBDRO COC1CCC(CC[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000602613763 460022767 /nfs/dbraw/zinc/02/27/67/460022767.db2.gz PWFRRXVCICGSJO-UHFFFAOYSA-N 1 0 333.388 3.421 20 5 EGBDRO C[NH+](C)CCN(Cc1ccccn1)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000593999702 460049353 /nfs/dbraw/zinc/04/93/53/460049353.db2.gz GGPQAYRBLVGQES-UHFFFAOYSA-N 1 0 348.834 3.207 20 5 EGBDRO Cn1cncc1CCC[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000594005771 460051859 /nfs/dbraw/zinc/05/18/59/460051859.db2.gz NUZOOENUOGWWIW-MRXNPFEDSA-N 1 0 328.416 3.141 20 5 EGBDRO CC(C)C[C@H]1OCCC[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000614227418 460057597 /nfs/dbraw/zinc/05/75/97/460057597.db2.gz RBRDCMZOGCKLDH-XJKSGUPXSA-N 1 0 333.388 3.419 20 5 EGBDRO CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000614227415 460057833 /nfs/dbraw/zinc/05/78/33/460057833.db2.gz RBRDCMZOGCKLDH-BBRMVZONSA-N 1 0 333.388 3.419 20 5 EGBDRO CC(C)C[C@@H]1OCCC[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000614227416 460057864 /nfs/dbraw/zinc/05/78/64/460057864.db2.gz RBRDCMZOGCKLDH-CJNGLKHVSA-N 1 0 333.388 3.419 20 5 EGBDRO C[C@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)[NH+]1CCC(C)CC1 ZINC000610062136 460058378 /nfs/dbraw/zinc/05/83/78/460058378.db2.gz PZPKNZRXSWNCDU-OAHLLOKOSA-N 1 0 347.459 3.109 20 5 EGBDRO O=[N+]([O-])c1sc(C[NH2+][C@@H](CO)C2CCCC2)cc1Br ZINC000602673676 460058740 /nfs/dbraw/zinc/05/87/40/460058740.db2.gz BAEXRCLYNUGHFY-NSHDSACASA-N 1 0 349.250 3.060 20 5 EGBDRO CC(C)(CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C1CC1 ZINC000602675732 460060712 /nfs/dbraw/zinc/06/07/12/460060712.db2.gz JOMURPXZOXJPKR-UHFFFAOYSA-N 1 0 332.448 3.375 20 5 EGBDRO COc1cc(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)ccc1C ZINC000618567127 460063112 /nfs/dbraw/zinc/06/31/12/460063112.db2.gz VSEMGAKOGQINMM-HOTGVXAUSA-N 1 0 344.415 3.382 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCO[C@@H](c3ccccn3)C2)cc1 ZINC000602683661 460063251 /nfs/dbraw/zinc/06/32/51/460063251.db2.gz KGJKMYJRBXLJNE-CRAIPNDOSA-N 1 0 327.384 3.042 20 5 EGBDRO CCCCC[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000589309163 460069871 /nfs/dbraw/zinc/06/98/71/460069871.db2.gz NQOUULSMDAZJLQ-UHFFFAOYSA-N 1 0 348.184 3.479 20 5 EGBDRO COCC[C@@H](C)C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602695916 460070082 /nfs/dbraw/zinc/07/00/82/460070082.db2.gz OOHJYEHCOIVHEI-MRVPVSSYSA-N 1 0 337.239 3.181 20 5 EGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000602699559 460072200 /nfs/dbraw/zinc/07/22/00/460072200.db2.gz INCHAMVYHLQHCH-RISCZKNCSA-N 1 0 330.306 3.224 20 5 EGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]C[C@H](CO)CC1CC1 ZINC000602715363 460082930 /nfs/dbraw/zinc/08/29/30/460082930.db2.gz GFQHAIFKVYHTBX-LLVKDONJSA-N 1 0 332.322 3.112 20 5 EGBDRO Cc1ccccc1C[C@H](CO)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000576172621 460085625 /nfs/dbraw/zinc/08/56/25/460085625.db2.gz RSEBIWNNVOHJFU-CRAIPNDOSA-N 1 0 326.396 3.084 20 5 EGBDRO COc1cccc([C@H](C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)OC)c1 ZINC000598987509 460118896 /nfs/dbraw/zinc/11/88/96/460118896.db2.gz ISKUTSYKKYSZBJ-SFHVURJKSA-N 1 0 330.384 3.389 20 5 EGBDRO CCC[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)OCC ZINC000598989768 460119273 /nfs/dbraw/zinc/11/92/73/460119273.db2.gz TUNQCNPXSNZGKB-KRWDZBQOSA-N 1 0 346.431 3.290 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@H](C)C[C@@H]1c1cccc(F)c1 ZINC000602784509 460124182 /nfs/dbraw/zinc/12/41/82/460124182.db2.gz ROGILKHCQAFSMH-MLGOLLRUSA-N 1 0 332.379 3.322 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](C)c1cccc(OC(F)F)c1 ZINC000602801322 460133164 /nfs/dbraw/zinc/13/31/64/460133164.db2.gz NPQLVAHHEXBOST-JTQLQIEISA-N 1 0 340.330 3.052 20 5 EGBDRO CC[C@H]([NH2+][C@@H]1Cc2ccccc2NC1=O)c1cccc([N+](=O)[O-])c1 ZINC000599075301 460153901 /nfs/dbraw/zinc/15/39/01/460153901.db2.gz UHCPKIOICSLJRK-DOTOQJQBSA-N 1 0 325.368 3.199 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)[C@@H](C)CSc1ccccc1 ZINC000602862471 460162964 /nfs/dbraw/zinc/16/29/64/460162964.db2.gz JEGUFXMAAKKIRO-ZDUSSCGKSA-N 1 0 334.445 3.212 20 5 EGBDRO CCC(C)(C)[NH+]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000594388936 460203360 /nfs/dbraw/zinc/20/33/60/460203360.db2.gz DAEOQTORBXBGTM-UHFFFAOYSA-N 1 0 339.823 3.195 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000610661359 460207671 /nfs/dbraw/zinc/20/76/71/460207671.db2.gz ZVGLSBAIUWTEEE-AWEZNQCLSA-N 1 0 334.420 3.206 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000598218889 460209515 /nfs/dbraw/zinc/20/95/15/460209515.db2.gz IUCHLEXMZLLMPB-OAHLLOKOSA-N 1 0 345.443 3.348 20 5 EGBDRO Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000598220931 460211435 /nfs/dbraw/zinc/21/14/35/460211435.db2.gz RQSNTEIZZITZQB-OAHLLOKOSA-N 1 0 331.416 3.040 20 5 EGBDRO O=[N+]([O-])c1ccc(OCCC[NH+]2CCN(c3cccs3)CC2)cc1 ZINC000610710533 460221948 /nfs/dbraw/zinc/22/19/48/460221948.db2.gz DESJNKCYGDZCCR-UHFFFAOYSA-N 1 0 347.440 3.247 20 5 EGBDRO CC[C@H]([NH2+]C1CCN(C[C@H]2CCCO2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000610818834 460242219 /nfs/dbraw/zinc/24/22/19/460242219.db2.gz HMCOQGQIUZJESO-MOPGFXCFSA-N 1 0 347.459 3.279 20 5 EGBDRO CNC(=O)[C@H](CC(C)C)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000618988691 460243771 /nfs/dbraw/zinc/24/37/71/460243771.db2.gz KFDCFWLIGMMOPJ-JKSUJKDBSA-N 1 0 333.432 3.068 20 5 EGBDRO CC(C)[N@H+](C)CC1CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000610928868 460262317 /nfs/dbraw/zinc/26/23/17/460262317.db2.gz SXNIIKRZNSRPHX-UHFFFAOYSA-N 1 0 326.828 3.200 20 5 EGBDRO C[C@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])CC[C@H]1C(=O)OC(C)(C)C ZINC000599580184 460278786 /nfs/dbraw/zinc/27/87/86/460278786.db2.gz DRJFRDAQWJBZNN-DZGCQCFKSA-N 1 0 334.416 3.395 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](c2ccnc(C)n2)C1 ZINC000603834174 460345052 /nfs/dbraw/zinc/34/50/52/460345052.db2.gz JZDDSEKNLNDMRQ-CQSZACIVSA-N 1 0 342.399 3.081 20 5 EGBDRO COc1cccc([C@@H](CNc2cccnc2[N+](=O)[O-])[NH+]2CCCC2)c1 ZINC000603838493 460345584 /nfs/dbraw/zinc/34/55/84/460345584.db2.gz OTQKGPRLEOWFOQ-QGZVFWFLSA-N 1 0 342.399 3.247 20 5 EGBDRO Cc1noc(C)c1[C@@H](C)[NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000611409067 460357810 /nfs/dbraw/zinc/35/78/10/460357810.db2.gz IWCXFPPQXNCHKR-LLVKDONJSA-N 1 0 346.387 3.187 20 5 EGBDRO CC[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000611433802 460364671 /nfs/dbraw/zinc/36/46/71/460364671.db2.gz WISLIDGJVYHXQP-WMZOPIPTSA-N 1 0 336.432 3.283 20 5 EGBDRO C[N@@H+]1CC[C@@H]2CCN(c3ccc([N+](=O)[O-])c(OC(C)(C)C)c3)[C@H]2C1 ZINC000611510175 460382737 /nfs/dbraw/zinc/38/27/37/460382737.db2.gz CDNMZPIWBUKPTQ-CJNGLKHVSA-N 1 0 333.432 3.303 20 5 EGBDRO C[N@@H+]1CC[C@H]2CCN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)[C@@H]2C1 ZINC000611510228 460382760 /nfs/dbraw/zinc/38/27/60/460382760.db2.gz OWLLYWJGXCUVCW-WMLDXEAASA-N 1 0 338.411 3.187 20 5 EGBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3ccc(O)cc3)CC2)cc1 ZINC000611526655 460389362 /nfs/dbraw/zinc/38/93/62/460389362.db2.gz ZITJVIPWIRWEQS-UHFFFAOYSA-N 1 0 328.368 3.344 20 5 EGBDRO C[C@H](C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)C(C)(C)C ZINC000619844489 460454770 /nfs/dbraw/zinc/45/47/70/460454770.db2.gz ITBSKVRPARVTMG-CQSZACIVSA-N 1 0 333.432 3.035 20 5 EGBDRO C[C@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@@H](O)C(F)(F)F ZINC000601151153 460733549 /nfs/dbraw/zinc/73/35/49/460733549.db2.gz QKLTULZEVUMSDG-LKFCYVNXSA-N 1 0 344.289 3.256 20 5 EGBDRO CC(C)[C@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])[C@H](O)C(F)(F)F ZINC000601301145 460781636 /nfs/dbraw/zinc/78/16/36/460781636.db2.gz SAKYMJZFJJXNPF-XBFCOCLRSA-N 1 0 332.322 3.120 20 5 EGBDRO COc1cc(C[NH+](C)C)ccc1NC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000601621603 460848824 /nfs/dbraw/zinc/84/88/24/460848824.db2.gz OPFGDVWGIPOKEK-UHFFFAOYSA-N 1 0 343.383 3.226 20 5 EGBDRO COc1cc(CNc2cccc(C[NH+](C)C)c2)c([N+](=O)[O-])cc1F ZINC000601933544 460951295 /nfs/dbraw/zinc/95/12/95/460951295.db2.gz MMLOUJKGRYLNFA-UHFFFAOYSA-N 1 0 333.363 3.416 20 5 EGBDRO C[C@H]([NH2+]CCc1cccc(C(=O)N(C)C)c1)c1ccc([N+](=O)[O-])cc1 ZINC000178658696 533872651 /nfs/dbraw/zinc/87/26/51/533872651.db2.gz MCTOLSALESHJEX-AWEZNQCLSA-N 1 0 341.411 3.190 20 5 EGBDRO CC(C)(C)[C@H](CCO)[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000183682111 526693196 /nfs/dbraw/zinc/69/31/96/526693196.db2.gz CEMSBZBGLFMALD-INIZCTEOSA-N 1 0 347.415 3.179 20 5 EGBDRO CC[NH+](CC)[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000174466246 528286550 /nfs/dbraw/zinc/28/65/50/528286550.db2.gz SARNNOCGUSSKAJ-LBPRGKRZSA-N 1 0 340.811 3.196 20 5 EGBDRO CC[C@H](C)[C@@H]1CCCC[N@@H+]1Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000738059184 574598481 /nfs/dbraw/zinc/59/84/81/574598481.db2.gz WTUUZZWYXCJRFW-JSGCOSHPSA-N 1 0 333.388 3.361 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]Cc2ccccc2OC(F)F)cc1 ZINC000731678379 575199453 /nfs/dbraw/zinc/19/94/53/575199453.db2.gz LGUBYZJGMKSRTR-AWEZNQCLSA-N 1 0 338.310 3.019 20 5 EGBDRO C[NH+](C)CC[C@H](NC(=S)Nc1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000734765638 575545992 /nfs/dbraw/zinc/54/59/92/575545992.db2.gz NBHVIMHQNUSHPG-AWEZNQCLSA-N 1 0 338.477 3.248 20 5 EGBDRO CC[C@H](C(=O)OCc1cc([N+](=O)[O-])ccc1Cl)[NH+](CC)CC ZINC000736022391 575752296 /nfs/dbraw/zinc/75/22/96/575752296.db2.gz XIUMNZWAONHQEW-CQSZACIVSA-N 1 0 328.796 3.412 20 5 EGBDRO CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000738522472 576334374 /nfs/dbraw/zinc/33/43/74/576334374.db2.gz MQCIGBVDGUDJNP-UHFFFAOYSA-N 1 0 345.374 3.068 20 5 EGBDRO CC[N@@H+]1CC[C@@H](N(C)C(=S)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000740631649 576609271 /nfs/dbraw/zinc/60/92/71/576609271.db2.gz FDFCDRMQBLXFIB-IUODEOHRSA-N 1 0 336.461 3.096 20 5 EGBDRO CC(C)[C@@H](C(=O)OCc1cc([N+](=O)[O-])ccc1Cl)[NH+]1CCCC1 ZINC000741014647 576646089 /nfs/dbraw/zinc/64/60/89/576646089.db2.gz OJWPFUNRJAKUCR-HNNXBMFYSA-N 1 0 340.807 3.412 20 5 EGBDRO CC(C)(CNC(=S)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCCCC1 ZINC000016240528 1291170825 /nfs/dbraw/zinc/17/08/25/1291170825.db2.gz SGHRIHMKEBLDKB-UHFFFAOYSA-N 1 0 336.461 3.146 20 5 EGBDRO O=C(CC[NH2+]Cc1c2ccccc2cc2ccccc21)N1CCOCC1 ZINC000048786422 1291618235 /nfs/dbraw/zinc/61/82/35/1291618235.db2.gz IXCPHYDOXJFOJK-UHFFFAOYSA-N 1 0 348.446 3.332 20 5 EGBDRO Cc1nn(C[N@@H+]2CCC[C@@H]2CCc2ccccc2)c(C)c1[N+](=O)[O-] ZINC000054549540 1291756356 /nfs/dbraw/zinc/75/63/56/1291756356.db2.gz WPOBSGXBDYGQLE-QGZVFWFLSA-N 1 0 328.416 3.463 20 5 EGBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCCCCC[NH3+] ZINC000831263703 1292834644 /nfs/dbraw/zinc/83/46/44/1292834644.db2.gz NXHMHUKYEFFBOV-UHFFFAOYSA-N 1 0 336.436 3.034 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ncn(C[N@@H+]3CC[C@H](c4ccccc4)C3)n2)cc1 ZINC000120241728 1293312016 /nfs/dbraw/zinc/31/20/16/1293312016.db2.gz HPGKRUXZPBOOGN-KRWDZBQOSA-N 1 0 349.394 3.300 20 5 EGBDRO CCCN(CC[NH+](CC)CC)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000120842421 1293341085 /nfs/dbraw/zinc/34/10/85/1293341085.db2.gz PDFUCMDMPOJPTE-UHFFFAOYSA-N 1 0 341.839 3.442 20 5 EGBDRO CC[NH+](CC)CCCNC(=O)c1cc(Cl)c(C)cc1[N+](=O)[O-] ZINC000836199658 1293458598 /nfs/dbraw/zinc/45/85/98/1293458598.db2.gz AODXUPGOMYXVNI-UHFFFAOYSA-N 1 0 327.812 3.018 20 5 EGBDRO C[N@H+](CCCNC(=O)c1cc(F)ccc1[N+](=O)[O-])C1CCCCC1 ZINC000126133644 1293525981 /nfs/dbraw/zinc/52/59/81/1293525981.db2.gz CSEPRYODDDJGIQ-UHFFFAOYSA-N 1 0 337.395 3.118 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CC[C@H](Cc3ccccc3)C2)c1 ZINC000154359441 1294052411 /nfs/dbraw/zinc/05/24/11/1294052411.db2.gz RZOVODWCMZRNTK-APWZRJJASA-N 1 0 326.396 3.193 20 5 EGBDRO Cc1cc(NC2CCC([NH3+])CC2)c(Br)cc1[N+](=O)[O-] ZINC000235852392 1296186975 /nfs/dbraw/zinc/18/69/75/1296186975.db2.gz FIVXDNXXUMPZGJ-UHFFFAOYSA-N 1 0 328.210 3.348 20 5 EGBDRO CC[C@H](NC(=O)[C@H](C)[C@@H]([NH3+])c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000246505024 1296357084 /nfs/dbraw/zinc/35/70/84/1296357084.db2.gz QDUSVSUKWKQCDL-JEBQAFNWSA-N 1 0 341.411 3.498 20 5 EGBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000247878338 1296402028 /nfs/dbraw/zinc/40/20/28/1296402028.db2.gz ZIECHZSHFQKLMJ-NEPJUHHUSA-N 1 0 339.823 3.098 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H](O)COCC(C)C ZINC000872027936 1296674683 /nfs/dbraw/zinc/67/46/83/1296674683.db2.gz OFDGLQPFYCCKDE-TZMCWYRMSA-N 1 0 342.461 3.001 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000872036023 1296687082 /nfs/dbraw/zinc/68/70/82/1296687082.db2.gz PEWRLZFUXGLERT-GXTWGEPZSA-N 1 0 335.473 3.452 20 5 EGBDRO C[C@H]1[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CCCN1C(=O)OC(C)(C)C ZINC000310816830 1297101417 /nfs/dbraw/zinc/10/14/17/1297101417.db2.gz FARZJCWXUNHKTG-DZGCQCFKSA-N 1 0 349.431 3.472 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]Cc1cccc(C(=O)N(C)C)c1 ZINC000873008133 1297219533 /nfs/dbraw/zinc/21/95/33/1297219533.db2.gz FZESQHSJDLXUIG-UHFFFAOYSA-N 1 0 341.411 3.203 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCC(=O)NCc1ccccc1 ZINC000873031171 1297235741 /nfs/dbraw/zinc/23/57/41/1297235741.db2.gz PLKGHSMYDSFOPH-UHFFFAOYSA-N 1 0 341.411 3.008 20 5 EGBDRO Cc1c(C[NH2+][C@@H]2CCO[C@@H](c3ccncc3)C2)cccc1[N+](=O)[O-] ZINC000873131119 1297287447 /nfs/dbraw/zinc/28/74/47/1297287447.db2.gz MJQPDGZRMQMAET-SJLPKXTDSA-N 1 0 327.384 3.308 20 5 EGBDRO Cc1c(C[NH2+][C@H]2CCO[C@@H](c3ccncc3)C2)cccc1[N+](=O)[O-] ZINC000873131118 1297287834 /nfs/dbraw/zinc/28/78/34/1297287834.db2.gz MJQPDGZRMQMAET-FUHWJXTLSA-N 1 0 327.384 3.308 20 5 EGBDRO C[C@@H]1CC[C@@H](Oc2c(Br)c(F)ccc2[N+](=O)[O-])C[NH2+]1 ZINC000689743829 1298126529 /nfs/dbraw/zinc/12/65/29/1298126529.db2.gz LAASBVFTCVFITA-HTQZYQBOSA-N 1 0 333.157 3.016 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000876807792 1299003284 /nfs/dbraw/zinc/00/32/84/1299003284.db2.gz KIBHQWPRZGGIHP-KDOFPFPSSA-N 1 0 328.416 3.491 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000876807793 1299003733 /nfs/dbraw/zinc/00/37/33/1299003733.db2.gz KIBHQWPRZGGIHP-KSSFIOAISA-N 1 0 328.416 3.491 20 5 EGBDRO CC(C)Oc1ccc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000749672247 1299254465 /nfs/dbraw/zinc/25/44/65/1299254465.db2.gz QWOYGOVPTXGLHZ-SFHVURJKSA-N 1 0 330.384 3.205 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCCO[C@H](c3ccccc3)C2)c1 ZINC000749681862 1299254505 /nfs/dbraw/zinc/25/45/05/1299254505.db2.gz BHSQKSAUNZOSLF-OALUTQOASA-N 1 0 342.395 3.092 20 5 EGBDRO O=[N+]([O-])c1ccc2oc(=S)n(C[N@@H+]3CC[C@@H]([C@@H]4CCOC4)C3)c2c1 ZINC000749796770 1299274305 /nfs/dbraw/zinc/27/43/05/1299274305.db2.gz IYGUQTOLXREUNL-VXGBXAGGSA-N 1 0 349.412 3.188 20 5 EGBDRO Cc1nn(C[N@@H+](C)C[C@@H](C)c2ccccc2)c2ncc([N+](=O)[O-])cc12 ZINC000749945286 1299308121 /nfs/dbraw/zinc/30/81/21/1299308121.db2.gz HDMVVFGLHDZVGU-CYBMUJFWSA-N 1 0 339.399 3.341 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC[C@@H]2c2ccc(O)cc2)c1 ZINC000750096919 1299337275 /nfs/dbraw/zinc/33/72/75/1299337275.db2.gz SLNUQXZBTGISEW-MSOLQXFVSA-N 1 0 328.368 3.171 20 5 EGBDRO COC(=O)CC[C@H]1CCC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000877822328 1299589408 /nfs/dbraw/zinc/58/94/08/1299589408.db2.gz QZVGTLGUUMWOGN-GFCCVEGCSA-N 1 0 340.807 3.413 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1[C@@H]1NC(=[NH2+])Nc2nc3ccccc3n21 ZINC000877843347 1299606091 /nfs/dbraw/zinc/60/60/91/1299606091.db2.gz PSTXHRXVRGIPCX-OAHLLOKOSA-N 1 0 336.355 3.058 20 5 EGBDRO Cc1ccc([C@@H](C)NC(=O)NC[C@H](C)[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000752894481 1299812617 /nfs/dbraw/zinc/81/26/17/1299812617.db2.gz XZJMYXUTCCBIGS-LSDHHAIUSA-N 1 0 348.447 3.138 20 5 EGBDRO C[C@@H]1C[C@H](CC[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCO1 ZINC000753587048 1299981872 /nfs/dbraw/zinc/98/18/72/1299981872.db2.gz NOLJSFHOGFCCMU-HZPDHXFCSA-N 1 0 347.459 3.358 20 5 EGBDRO C[NH+](C)Cc1ccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)cc1F ZINC000754871864 1300237377 /nfs/dbraw/zinc/23/73/77/1300237377.db2.gz ZKFOGQYGMFKIIB-UHFFFAOYSA-N 1 0 335.310 3.187 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH+]2CCC3(CCSCC3)CC2)cc1 ZINC000879200213 1300425307 /nfs/dbraw/zinc/42/53/07/1300425307.db2.gz GULFXOYHGZUXHX-MRXNPFEDSA-N 1 0 336.457 3.237 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCC3(CCSCC3)CC2)c1 ZINC000879200905 1300426086 /nfs/dbraw/zinc/42/60/86/1300426086.db2.gz UCFBGCXYSCZLCT-MRXNPFEDSA-N 1 0 336.457 3.237 20 5 EGBDRO C[C@@H]1CC[N@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)CC1(C)C ZINC000758999892 1300996082 /nfs/dbraw/zinc/99/60/82/1300996082.db2.gz MKJAHFUMAWJYOS-CYBMUJFWSA-N 1 0 329.404 3.179 20 5 EGBDRO CCC1(CC)[C@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@H](C)[C@H]1OC ZINC000759610968 1301128162 /nfs/dbraw/zinc/12/81/62/1301128162.db2.gz JPPPPALHECSVAW-KKBVYLPWSA-N 1 0 336.432 3.058 20 5 EGBDRO CSc1ccc(C(=O)OCC[C@@H]2CCCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000759964385 1301198354 /nfs/dbraw/zinc/19/83/54/1301198354.db2.gz XRECHOJDISWYGE-ZDUSSCGKSA-N 1 0 338.429 3.348 20 5 EGBDRO CCC(CC)(CC(=O)OC)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000760896480 1301360476 /nfs/dbraw/zinc/36/04/76/1301360476.db2.gz WJTOCLFOONMYBE-UHFFFAOYSA-N 1 0 328.796 3.460 20 5 EGBDRO Cc1c(NC(=O)CC[N@@H+]2CC[C@H](C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000761054690 1301393233 /nfs/dbraw/zinc/39/32/33/1301393233.db2.gz TZQRJXCQECYMOG-NSHDSACASA-N 1 0 345.321 3.116 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+]CCN2CCc3ccccc3C2)cc1Cl ZINC000761522249 1301490805 /nfs/dbraw/zinc/49/08/05/1301490805.db2.gz NIWLUNZGDYXHRE-UHFFFAOYSA-N 1 0 345.830 3.396 20 5 EGBDRO C[N@@H+]1CCCC[C@H]1CCOC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000763719180 1301949540 /nfs/dbraw/zinc/94/95/40/1301949540.db2.gz GSVAWWKCJMEXEA-LBPRGKRZSA-N 1 0 326.780 3.279 20 5 EGBDRO CC(C)[NH2+][C@@H]1CCCN(c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000765484164 1302271361 /nfs/dbraw/zinc/27/13/61/1302271361.db2.gz YAUGIEFSPISUNG-GFCCVEGCSA-N 1 0 342.237 3.324 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@H]2CCSc3ccccc32)cc1 ZINC000765846176 1302339533 /nfs/dbraw/zinc/33/95/33/1302339533.db2.gz UNZWCWOVXUZXSS-HOTGVXAUSA-N 1 0 330.409 3.455 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C1CN(C(=O)OC(C)(C)C)C1 ZINC000766526480 1302469205 /nfs/dbraw/zinc/46/92/05/1302469205.db2.gz RLWCMPJULZBHAV-GFCCVEGCSA-N 1 0 335.404 3.173 20 5 EGBDRO CC[C@@H]1Cc2ccccc2C[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000767881449 1302778837 /nfs/dbraw/zinc/77/88/37/1302778837.db2.gz GURJRETZUCMLSP-MJGOQNOKSA-N 1 0 326.396 3.465 20 5 EGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](O)c1ccco1 ZINC000768092425 1302821078 /nfs/dbraw/zinc/82/10/78/1302821078.db2.gz YBMXYQQEHOVUTD-JSGCOSHPSA-N 1 0 336.413 3.382 20 5 EGBDRO CC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000769300029 1303088163 /nfs/dbraw/zinc/08/81/63/1303088163.db2.gz UTTYJQCBROVDJJ-HNNXBMFYSA-N 1 0 349.431 3.426 20 5 EGBDRO C[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])c1cccc(O)c1 ZINC000769904654 1303191038 /nfs/dbraw/zinc/19/10/38/1303191038.db2.gz MKUHVZGYHRATFH-JTQLQIEISA-N 1 0 349.774 3.243 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000772341196 1303521881 /nfs/dbraw/zinc/52/18/81/1303521881.db2.gz KOKXKFBTEBAHSC-UHFFFAOYSA-N 1 0 345.443 3.430 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](CO)C[C@H](O)c1ccccc1 ZINC000773110123 1303626234 /nfs/dbraw/zinc/62/62/34/1303626234.db2.gz VJSCUEHEPSHMMS-QOKNQOGYSA-N 1 0 344.411 3.038 20 5 EGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCc2ccc(Cl)nc2)n1 ZINC000774223958 1303788501 /nfs/dbraw/zinc/78/85/01/1303788501.db2.gz LRFSXUHHUJIUHQ-UONOGXRCSA-N 1 0 349.822 3.156 20 5 EGBDRO O=[N+]([O-])c1ccc(CN2CC[C@H]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000774904902 1303874931 /nfs/dbraw/zinc/87/49/31/1303874931.db2.gz XWSZNYZZAHTKSZ-HNNXBMFYSA-N 1 0 327.340 3.320 20 5 EGBDRO CC(C)O[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1(C)C ZINC000775068228 1303899448 /nfs/dbraw/zinc/89/94/48/1303899448.db2.gz JCLSBWZMBSIPAT-GJZGRUSLSA-N 1 0 337.376 3.185 20 5 EGBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N1CC[N@@H+](C)[C@H](C)[C@H]1C ZINC000888284673 1304101079 /nfs/dbraw/zinc/10/10/79/1304101079.db2.gz HVWMTQUITNPPDP-GHMZBOCLSA-N 1 0 340.811 3.113 20 5 EGBDRO CCC1(CC)[C@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)[C@H]1OC ZINC000776154526 1304102992 /nfs/dbraw/zinc/10/29/92/1304102992.db2.gz ADQXJAAWWBJLPG-VJUNAUMWSA-N 1 0 336.432 3.058 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCC[C@H]2Cc2ccc(F)cc2)cc1 ZINC000776277493 1304126823 /nfs/dbraw/zinc/12/68/23/1304126823.db2.gz PZPZCZRGIIZZCQ-OALUTQOASA-N 1 0 344.386 3.474 20 5 EGBDRO COc1ccccc1C[C@@H](C)[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776588588 1304176327 /nfs/dbraw/zinc/17/63/27/1304176327.db2.gz MICUMDXGJXDYCJ-KDOFPFPSSA-N 1 0 344.411 3.200 20 5 EGBDRO Cc1nc(C(C)(C)[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)sc1C ZINC000776592121 1304177734 /nfs/dbraw/zinc/17/77/34/1304177734.db2.gz SZHJPMXWEBHMFH-CQSZACIVSA-N 1 0 335.429 3.226 20 5 EGBDRO CS[C@@H]1CC[C@@H]([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000776700217 1304185591 /nfs/dbraw/zinc/18/55/91/1304185591.db2.gz KGYZHGDDALLMSB-GDBMZVCRSA-N 1 0 346.456 3.369 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@H](N2CCCCC2=O)C1 ZINC000778943398 1304510664 /nfs/dbraw/zinc/51/06/64/1304510664.db2.gz CYHYIGLNHVZQSC-WBVHZDCISA-N 1 0 345.443 3.441 20 5 EGBDRO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]CCc2ccccc2[N+](=O)[O-])C1 ZINC000779070664 1304526361 /nfs/dbraw/zinc/52/63/61/1304526361.db2.gz HQEWFAZENYCACH-HNNXBMFYSA-N 1 0 349.431 3.126 20 5 EGBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)[C@]12CCCO2 ZINC000783674637 1305126152 /nfs/dbraw/zinc/12/61/52/1305126152.db2.gz ZUSLTEMHCFXIKT-ARFHVFGLSA-N 1 0 340.807 3.064 20 5 EGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@H](O)CCc2ccccc2)c1 ZINC000784681636 1305273000 /nfs/dbraw/zinc/27/30/00/1305273000.db2.gz VOINFCYGECFUQM-MRXNPFEDSA-N 1 0 334.803 3.332 20 5 EGBDRO C[C@@H](C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)NC(=O)OC(C)(C)C ZINC000785460668 1305355419 /nfs/dbraw/zinc/35/54/19/1305355419.db2.gz KRLFXYJZOVBUSI-ZDUSSCGKSA-N 1 0 349.431 3.472 20 5 EGBDRO CC(C)[NH+]1CCC(C(=O)Nc2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000892652907 1305490835 /nfs/dbraw/zinc/49/08/35/1305490835.db2.gz HSCQCHFRYCXWDO-UHFFFAOYSA-N 1 0 342.399 3.202 20 5 EGBDRO COc1c(O)ccc(C[NH2+][C@H](C)COc2ccc(C)cc2)c1[N+](=O)[O-] ZINC000892730930 1305526145 /nfs/dbraw/zinc/52/61/45/1305526145.db2.gz LWMBQMUXICQOOS-CYBMUJFWSA-N 1 0 346.383 3.175 20 5 EGBDRO O=C(OCc1ccc([N+](=O)[O-])c(F)c1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000786880485 1305645817 /nfs/dbraw/zinc/64/58/17/1305645817.db2.gz JZXGQDRMWQVLHS-INIZCTEOSA-N 1 0 336.363 3.184 20 5 EGBDRO Cn1ncc(C[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)c1C1CC1 ZINC000893092338 1305702617 /nfs/dbraw/zinc/70/26/17/1305702617.db2.gz LXTKRFDHEWXJFZ-UHFFFAOYSA-N 1 0 328.416 3.318 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2cnc(CC(F)(F)F)s2)cc1 ZINC000893329853 1305833618 /nfs/dbraw/zinc/83/36/18/1305833618.db2.gz SUXFSYTZWAZECS-UHFFFAOYSA-N 1 0 331.319 3.446 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2cnn(C[N@@H+]3CCC[C@@H]3[C@@H]3CCCO3)c2)c1 ZINC000789508541 1306175846 /nfs/dbraw/zinc/17/58/46/1306175846.db2.gz RGJBDDVUNWCJCI-MSOLQXFVSA-N 1 0 342.399 3.059 20 5 EGBDRO C[C@@H](CNC(=O)OC(C)(C)C)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000894022800 1306178572 /nfs/dbraw/zinc/17/85/72/1306178572.db2.gz FDSVYMXVCNIVSH-JTQLQIEISA-N 1 0 343.811 3.251 20 5 EGBDRO COc1c(O)ccc(C[NH2+]CCc2ccc(SC)cc2)c1[N+](=O)[O-] ZINC000894221438 1306286435 /nfs/dbraw/zinc/28/64/35/1306286435.db2.gz QVMMTDWSLUNGAD-UHFFFAOYSA-N 1 0 348.424 3.363 20 5 EGBDRO CCOC(=O)NC1CCC([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000790746751 1308858667 /nfs/dbraw/zinc/85/86/67/1308858667.db2.gz LWGXWHXHCSLGMS-GRTSSRMGSA-N 1 0 335.404 3.303 20 5 EGBDRO CCOC(=O)C1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCCC1 ZINC000792195925 1309141624 /nfs/dbraw/zinc/14/16/24/1309141624.db2.gz OOZATVIZWPWYGZ-UHFFFAOYSA-N 1 0 340.807 3.461 20 5 EGBDRO COc1c(O)ccc(C[N@H+](C)C2CC(OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC000894980783 1309142077 /nfs/dbraw/zinc/14/20/77/1309142077.db2.gz NZQIHCTZGAJILO-UHFFFAOYSA-N 1 0 338.404 3.087 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)c1C ZINC000895728907 1309492517 /nfs/dbraw/zinc/49/25/17/1309492517.db2.gz BEGPOFIVQCINIV-OCCSQVGLSA-N 1 0 333.432 3.062 20 5 EGBDRO CCOC1CC2(C1)CC[N@H+](Cn1nc(C)c3ccc([N+](=O)[O-])cc31)C2 ZINC000795719508 1309816694 /nfs/dbraw/zinc/81/66/94/1309816694.db2.gz XYVUWLHHSGDXLB-UHFFFAOYSA-N 1 0 344.415 3.101 20 5 EGBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2c(C)c(C)ccc2[N+](=O)[O-])C1 ZINC000896735603 1309992940 /nfs/dbraw/zinc/99/29/40/1309992940.db2.gz LZFCUJKWIVGZQC-OAHLLOKOSA-N 1 0 333.432 3.016 20 5 EGBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2c(C)c(C)ccc2[N+](=O)[O-])C1 ZINC000896745613 1309996155 /nfs/dbraw/zinc/99/61/55/1309996155.db2.gz LOHYVABAOHZBSC-HNNXBMFYSA-N 1 0 333.432 3.016 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCC2(CC1)C[C@@H](O)CCO2 ZINC000897260086 1310250297 /nfs/dbraw/zinc/25/02/97/1310250297.db2.gz XVXMHUUTVGBHSA-OTMARIDSSA-N 1 0 346.427 3.004 20 5 EGBDRO CC(C)(C)OC(=O)NC1(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000897420607 1310330278 /nfs/dbraw/zinc/33/02/78/1310330278.db2.gz DMQYRKGXSMCGBC-CQSZACIVSA-N 1 0 347.415 3.229 20 5 EGBDRO O=C(OCCC[NH+]1CCCC1)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000800199796 1310700034 /nfs/dbraw/zinc/70/00/34/1310700034.db2.gz RDPZBCQROKSHQW-UHFFFAOYSA-N 1 0 330.743 3.030 20 5 EGBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)OCCC[NH+]1CCCC1 ZINC000800202464 1310700906 /nfs/dbraw/zinc/70/09/06/1310700906.db2.gz XSNXFDJQIMIZOK-INIZCTEOSA-N 1 0 334.416 3.193 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)c1C ZINC000898578735 1310795115 /nfs/dbraw/zinc/79/51/15/1310795115.db2.gz LORVJXLMOOMPHY-AWEZNQCLSA-N 1 0 333.432 3.062 20 5 EGBDRO COC[C@H](Cc1ccccc1)[N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801548355 1310964378 /nfs/dbraw/zinc/96/43/78/1310964378.db2.gz SXHNKXXGRSQHAF-INIZCTEOSA-N 1 0 332.375 3.423 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCc2ccccc2OC1 ZINC000801576041 1310969500 /nfs/dbraw/zinc/96/95/00/1310969500.db2.gz PSVVRKQKZPONSQ-OAHLLOKOSA-N 1 0 328.368 3.087 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCCCCC[NH+]1CCCC1 ZINC000823177121 1320159320 /nfs/dbraw/zinc/15/93/20/1320159320.db2.gz IACHXYRACMREIW-UHFFFAOYSA-N 1 0 333.432 3.208 20 5 EGBDRO C[NH+](C)[C@H](CNc1c([N+](=O)[O-])cccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000804361078 1317223663 /nfs/dbraw/zinc/22/36/63/1317223663.db2.gz YZSZRHGIMBLEOL-OAHLLOKOSA-N 1 0 348.334 3.357 20 5 EGBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1Nc1ccc(N)cc1[N+](=O)[O-] ZINC000804616250 1317267524 /nfs/dbraw/zinc/26/75/24/1317267524.db2.gz LZDQFSYHWMJFJL-SUMWQHHRSA-N 1 0 326.400 3.109 20 5 EGBDRO Cc1c(Cn2cc(C[NH+](C(C)C)C(C)C)nn2)cccc1[N+](=O)[O-] ZINC000900523776 1317299249 /nfs/dbraw/zinc/29/92/49/1317299249.db2.gz HLUJEIBOYSTCQD-UHFFFAOYSA-N 1 0 331.420 3.162 20 5 EGBDRO CCOC[C@@H]1CCN(Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000929779766 1328698799 /nfs/dbraw/zinc/69/87/99/1328698799.db2.gz OEMBFKRSTJMOGI-LLVKDONJSA-N 1 0 343.221 3.216 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@](C)(O)c1cccc(F)c1 ZINC000903307490 1317684789 /nfs/dbraw/zinc/68/47/89/1317684789.db2.gz IQPYEVUSWJETKY-KPZWWZAWSA-N 1 0 348.374 3.301 20 5 EGBDRO CC1(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccccc3[N+](=O)[O-])C2)CCCCC1 ZINC001020542797 1317757000 /nfs/dbraw/zinc/75/70/00/1317757000.db2.gz TVJONBNQJAXRLR-WKILWMFISA-N 1 0 345.443 3.302 20 5 EGBDRO C[C@H](O)c1ncc(C[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000809634536 1317852224 /nfs/dbraw/zinc/85/22/24/1317852224.db2.gz GYXHPLUMBYJSII-VIFPVBQESA-N 1 0 341.820 3.090 20 5 EGBDRO [NH3+]CCN(CCSCc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000809735218 1317883646 /nfs/dbraw/zinc/88/36/46/1317883646.db2.gz VWWJVKGWNXNFAH-UHFFFAOYSA-N 1 0 331.441 3.293 20 5 EGBDRO C[N@H+](Cc1cn(Cc2ccc([N+](=O)[O-])cc2Cl)nn1)C(C)(C)C ZINC000905798758 1318000948 /nfs/dbraw/zinc/00/09/48/1318000948.db2.gz LOEFAFWCYSRQHE-UHFFFAOYSA-N 1 0 337.811 3.118 20 5 EGBDRO C[C@H]1CC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC001020952388 1318010445 /nfs/dbraw/zinc/01/04/45/1318010445.db2.gz LZJOBJLJLYAYLT-JWRMFDMWSA-N 1 0 345.443 3.158 20 5 EGBDRO CC[N@@H+]1CCCN(C(=O)c2cc(Cl)c(C)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000910270415 1318590300 /nfs/dbraw/zinc/59/03/00/1318590300.db2.gz MEHSSKZYQYDAGF-LBPRGKRZSA-N 1 0 339.823 3.113 20 5 EGBDRO CC[N@@H+]1CCCN(C(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000910284541 1318594743 /nfs/dbraw/zinc/59/47/43/1318594743.db2.gz QKIMMWOUQCVCRK-CQSZACIVSA-N 1 0 333.432 3.076 20 5 EGBDRO CCN1CCN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])[C@H](C)C1 ZINC000813606104 1318604147 /nfs/dbraw/zinc/60/41/47/1318604147.db2.gz UDJDYKXUVLDYKT-SECBINFHSA-N 1 0 346.214 3.068 20 5 EGBDRO C[C@H](O)C[C@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Br ZINC000930081612 1328780474 /nfs/dbraw/zinc/78/04/74/1328780474.db2.gz NNVPWGGPAQUYOA-CMPLNLGQSA-N 1 0 343.221 3.093 20 5 EGBDRO CC(C)(C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)C1CCC1 ZINC001022500659 1318967017 /nfs/dbraw/zinc/96/70/17/1318967017.db2.gz XAVIVZBOTOFOMI-IYBDPMFKSA-N 1 0 345.443 3.158 20 5 EGBDRO C[C@H]([NH2+]CCCOc1ccccc1F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815559526 1319015346 /nfs/dbraw/zinc/01/53/46/1319015346.db2.gz JJLMATNYQZWNFN-LBPRGKRZSA-N 1 0 333.363 3.436 20 5 EGBDRO C[C@H](Nc1cccc(OCC[NH+](C)C)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815610847 1319027734 /nfs/dbraw/zinc/02/77/34/1319027734.db2.gz VYPMIQGTELRNDY-ZDUSSCGKSA-N 1 0 344.415 3.291 20 5 EGBDRO C[C@@H](NC(=O)NCCC[N@@H+]1CCCC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000913925229 1319179154 /nfs/dbraw/zinc/17/91/54/1319179154.db2.gz RARFLTZSBFRBOH-LSDHHAIUSA-N 1 0 348.447 3.220 20 5 EGBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)C1CCC=CCC1 ZINC001023100573 1319261857 /nfs/dbraw/zinc/26/18/57/1319261857.db2.gz RALKDYRTWRBOKL-CALCHBBNSA-N 1 0 343.427 3.078 20 5 EGBDRO CCn1nc(C)c(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])n1 ZINC000818345968 1319533003 /nfs/dbraw/zinc/53/30/03/1319533003.db2.gz YXXGIXZJPQSAJH-HOCLYGCPSA-N 1 0 343.431 3.016 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCCn2ccc3ccccc32)cc1 ZINC000818942093 1319583255 /nfs/dbraw/zinc/58/32/55/1319583255.db2.gz FJAPXNRZTQNRSG-LJQANCHMSA-N 1 0 339.395 3.263 20 5 EGBDRO CC(C)(C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1F ZINC000818993884 1319608865 /nfs/dbraw/zinc/60/88/65/1319608865.db2.gz NMAJCMQCUNCITC-QGZVFWFLSA-N 1 0 332.375 3.335 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H](c2ccccc2)[C@H]2CCCO2)c1 ZINC000819001351 1319610284 /nfs/dbraw/zinc/61/02/84/1319610284.db2.gz LNRGGBSIWBXEOQ-GUDVDZBRSA-N 1 0 342.395 3.138 20 5 EGBDRO COc1cc(Cl)ccc1C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819040337 1319620507 /nfs/dbraw/zinc/62/05/07/1319620507.db2.gz WOJSNHKHXLGNGD-HNNXBMFYSA-N 1 0 336.775 3.080 20 5 EGBDRO CC(C)(C)[C@@H]1OCCC[C@@H]1C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819079348 1319628843 /nfs/dbraw/zinc/62/88/43/1319628843.db2.gz CLTJGGMSSUIIPF-DJIMGWMZSA-N 1 0 336.432 3.059 20 5 EGBDRO COc1ccc(C[C@H](C)C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000819192347 1319663576 /nfs/dbraw/zinc/66/35/76/1319663576.db2.gz XNKJTFWTXLCSBD-LIRRHRJNSA-N 1 0 344.411 3.105 20 5 EGBDRO CCCCCn1cc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)c(C)n1 ZINC000819201096 1319667030 /nfs/dbraw/zinc/66/70/30/1319667030.db2.gz HAOAJSHJTDFUDN-SFHVURJKSA-N 1 0 346.431 3.113 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]C[C@@H](O)c1ccccc1F ZINC000819211919 1319668686 /nfs/dbraw/zinc/66/86/86/1319668686.db2.gz GRAOPCSYDOBBNK-MRXNPFEDSA-N 1 0 338.766 3.253 20 5 EGBDRO CO[C@H](c1ccccc1F)[C@@H](C)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819210335 1319668940 /nfs/dbraw/zinc/66/89/40/1319668940.db2.gz UUMKLQYFHIGENR-PJSAGSTRSA-N 1 0 348.374 3.133 20 5 EGBDRO CCOc1ccc([C@@H]2C[C@H]2[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000819282204 1319687880 /nfs/dbraw/zinc/68/78/80/1319687880.db2.gz XQXBOWSFXNQUSD-IPMKNSEASA-N 1 0 342.395 3.173 20 5 EGBDRO Cc1ccccc1C[NH+]1CCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000916977794 1319729533 /nfs/dbraw/zinc/72/95/33/1319729533.db2.gz ZEUNHVPIJFAEKL-UHFFFAOYSA-N 1 0 343.402 3.360 20 5 EGBDRO CCn1c(SC[C@H]2CCC[N@@H+]2C)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000917250925 1319775752 /nfs/dbraw/zinc/77/57/52/1319775752.db2.gz QYFFAINARNNBCE-CQSZACIVSA-N 1 0 347.444 3.060 20 5 EGBDRO CC[NH+](CC)[C@@H](C(=O)Nc1ccc(N)c([N+](=O)[O-])c1)c1ccccc1 ZINC000819921260 1319803261 /nfs/dbraw/zinc/80/32/61/1319803261.db2.gz ZRUOWJIGTPAGNK-QGZVFWFLSA-N 1 0 342.399 3.199 20 5 EGBDRO CCCC[N@H+](Cn1cc(Br)c([N+](=O)[O-])n1)[C@@H](C)CC ZINC000917615175 1319851500 /nfs/dbraw/zinc/85/15/00/1319851500.db2.gz HIKADUHQMCATDI-JTQLQIEISA-N 1 0 333.230 3.412 20 5 EGBDRO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C[C@@](C)(O)c1ccccc1 ZINC000822517451 1320093608 /nfs/dbraw/zinc/09/36/08/1320093608.db2.gz XSXOZBIOFKKYEU-LHUXKHBRSA-N 1 0 326.396 3.448 20 5 EGBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)C[C@@H]1C ZINC000827573650 1320460562 /nfs/dbraw/zinc/46/05/62/1320460562.db2.gz MYVPDMISZRGOKS-NWDGAFQWSA-N 1 0 339.823 3.111 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C(=O)NCC[NH+]2CCC(C)CC2)cc1Cl ZINC000836376398 1320480053 /nfs/dbraw/zinc/48/00/53/1320480053.db2.gz DJFWIBPWNLOQOC-UHFFFAOYSA-N 1 0 339.823 3.018 20 5 EGBDRO O=[N+]([O-])c1ccc(CNC[C@H]2[NH2+]CCc3ccccc32)cc1Cl ZINC000841069297 1321213266 /nfs/dbraw/zinc/21/32/66/1321213266.db2.gz SHBGSTJXUSMLIH-MRXNPFEDSA-N 1 0 331.803 3.225 20 5 EGBDRO CCOC(=O)N1CC[C@H]([NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000841753719 1321306956 /nfs/dbraw/zinc/30/69/56/1321306956.db2.gz VFXBIEZEFQQCMY-WMLDXEAASA-N 1 0 347.415 3.183 20 5 EGBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1)CC2 ZINC000843495900 1321522767 /nfs/dbraw/zinc/52/27/67/1321522767.db2.gz XDACZONRJXFBKI-SCLBCKFNSA-N 1 0 339.395 3.128 20 5 EGBDRO C[C@@](O)(CC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccccc1 ZINC000848547422 1321973126 /nfs/dbraw/zinc/97/31/26/1321973126.db2.gz NRCLHDHDXQTDEF-IEBWSBKVSA-N 1 0 326.396 3.470 20 5 EGBDRO CC[C@@H](C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000848552686 1321975161 /nfs/dbraw/zinc/97/51/61/1321975161.db2.gz GBSUDRDVCHFRRR-SWLSCSKDSA-N 1 0 349.431 3.475 20 5 EGBDRO COc1cccc(NC(=[NH2+])NCc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000849086838 1322072698 /nfs/dbraw/zinc/07/26/98/1322072698.db2.gz YBTFZKHNGCSRRY-UHFFFAOYSA-N 1 0 334.763 3.393 20 5 EGBDRO CCc1ccc(NC(=[NH2+])NCCOc2ccc([N+](=O)[O-])cc2)cc1 ZINC000849100261 1322077990 /nfs/dbraw/zinc/07/79/90/1322077990.db2.gz JJENCGMWRDKQAR-UHFFFAOYSA-N 1 0 328.372 3.172 20 5 EGBDRO O=[N+]([O-])c1ccc(NC(=S)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)cc1 ZINC000849297708 1322108664 /nfs/dbraw/zinc/10/86/64/1322108664.db2.gz ODMMMMOSHWCNAA-CQSZACIVSA-N 1 0 348.472 3.288 20 5 EGBDRO O=C(CC[N@@H+]1CCCC(F)(F)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000859538072 1329012643 /nfs/dbraw/zinc/01/26/43/1329012643.db2.gz XYJJCKHDFBEZRB-UHFFFAOYSA-N 1 0 345.321 3.184 20 5 EGBDRO C[C@@H]1CCC[C@@](CNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)([NH+](C)C)C1 ZINC000920741997 1322216310 /nfs/dbraw/zinc/21/63/10/1322216310.db2.gz ACLQTIWDMAAMAO-NGFANLLESA-N 1 0 345.443 3.235 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000850437272 1322249231 /nfs/dbraw/zinc/24/92/31/1322249231.db2.gz KGOUOUKLBJAREE-GFCCVEGCSA-N 1 0 345.355 3.405 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@](C)(O)c1cccs1 ZINC000850438769 1322249695 /nfs/dbraw/zinc/24/96/95/1322249695.db2.gz ZHWRTWKHIGRYBD-BZNIZROVSA-N 1 0 336.413 3.223 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCNc1cccc(C)n1 ZINC000850445581 1322250733 /nfs/dbraw/zinc/25/07/33/1322250733.db2.gz UPSARMLEAGTZRR-CYBMUJFWSA-N 1 0 330.388 3.070 20 5 EGBDRO COC[C@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1cccc(OC)c1 ZINC000850514089 1322259692 /nfs/dbraw/zinc/25/96/92/1322259692.db2.gz LJAOBXWIOKVDNN-SJCJKPOMSA-N 1 0 345.399 3.224 20 5 EGBDRO COc1ccc(C[NH+](C)C)cc1NC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000921280382 1322285259 /nfs/dbraw/zinc/28/52/59/1322285259.db2.gz GVQQHHGAJCMRBQ-UHFFFAOYSA-N 1 0 343.383 3.226 20 5 EGBDRO Cc1noc(C[N@@H+]2CCCCC[C@@H]2C[C@@H](O)c2ccco2)c1[N+](=O)[O-] ZINC000851810203 1323094802 /nfs/dbraw/zinc/09/48/02/1323094802.db2.gz YOQBMYMDCODCPO-ZIAGYGMSSA-N 1 0 349.387 3.353 20 5 EGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCCCO3)C2)c([N+](=O)[O-])c1 ZINC000852595862 1323213310 /nfs/dbraw/zinc/21/33/10/1323213310.db2.gz JHCJBPCLVBPKMA-WMLDXEAASA-N 1 0 349.387 3.284 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)cc1Cl ZINC000855283845 1325368166 /nfs/dbraw/zinc/36/81/66/1325368166.db2.gz HGNGAQVNVHLPCZ-NSHDSACASA-N 1 0 339.823 3.159 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1Cl ZINC000855283844 1325368654 /nfs/dbraw/zinc/36/86/54/1325368654.db2.gz HGNGAQVNVHLPCZ-LLVKDONJSA-N 1 0 339.823 3.159 20 5 EGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCc1nc2c(s1)CCC2 ZINC000926928341 1327780684 /nfs/dbraw/zinc/78/06/84/1327780684.db2.gz CZVUJRUZNBAXHM-NSHDSACASA-N 1 0 349.431 3.442 20 5 EGBDRO C[C@H]([NH2+]CCc1nc2c(s1)CCC2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000926929447 1327781774 /nfs/dbraw/zinc/78/17/74/1327781774.db2.gz NQRFPAWLVVWXNQ-JTQLQIEISA-N 1 0 332.429 3.016 20 5 EGBDRO CC1(C)C[C@H]([NH2+]CC2CC3(C2)OCCO3)c2cc([N+](=O)[O-])ccc21 ZINC000927000755 1327813829 /nfs/dbraw/zinc/81/38/29/1327813829.db2.gz JMNARGCIYMMUGO-INIZCTEOSA-N 1 0 332.400 3.060 20 5 EGBDRO Cn1nc(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1C1CC1 ZINC000927113096 1327872006 /nfs/dbraw/zinc/87/20/06/1327872006.db2.gz WHUZSFHHXPUOPS-KRWDZBQOSA-N 1 0 340.427 3.317 20 5 EGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1cc(C2CC2)n(C)n1 ZINC000927112933 1327872251 /nfs/dbraw/zinc/87/22/51/1327872251.db2.gz UPSFVFWYBAWVGF-ZDUSSCGKSA-N 1 0 328.416 3.317 20 5 EGBDRO C[C@@H](NC(=O)c1ccc(C[NH+](C)C)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000928247048 1328254245 /nfs/dbraw/zinc/25/42/45/1328254245.db2.gz OMQCOEMAPUSNND-CYBMUJFWSA-N 1 0 327.384 3.147 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCC[N@@H+](C)C2)cc1Cl ZINC000862796409 1329510148 /nfs/dbraw/zinc/51/01/48/1329510148.db2.gz QZHADUPUWAXTTQ-GFCCVEGCSA-N 1 0 339.823 3.018 20 5 EGBDRO C[NH+](C)CCn1cc(Nc2ccc([N+](=O)[O-])cc2C(F)F)cn1 ZINC000865483813 1329703695 /nfs/dbraw/zinc/70/36/95/1329703695.db2.gz RAJWIJMDAVAHQQ-UHFFFAOYSA-N 1 0 325.319 3.034 20 5 EGBDRO COCCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2C(F)F)CC1 ZINC000865501674 1329706165 /nfs/dbraw/zinc/70/61/65/1329706165.db2.gz AXQSYUIVQMRKCD-UHFFFAOYSA-N 1 0 343.374 3.445 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000932237705 1329798832 /nfs/dbraw/zinc/79/88/32/1329798832.db2.gz IIKVDFSSAYFPNC-AWEZNQCLSA-N 1 0 349.456 3.017 20 5 EGBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000933621338 1329906737 /nfs/dbraw/zinc/90/67/37/1329906737.db2.gz AGCFMYNIXJIWSO-SZMVWBNQSA-N 1 0 345.443 3.031 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+]C1(C2CCCCC2)CC1 ZINC000934787634 1330006955 /nfs/dbraw/zinc/00/69/55/1330006955.db2.gz KWWRKQDXBCPGNO-UHFFFAOYSA-N 1 0 347.415 3.244 20 5 EGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H](O)c1ccccc1F ZINC000866239278 1330083521 /nfs/dbraw/zinc/08/35/21/1330083521.db2.gz TYRFBTHHUIYYJC-PIGZYNQJSA-N 1 0 336.338 3.127 20 5 EGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000866313020 1330094918 /nfs/dbraw/zinc/09/49/18/1330094918.db2.gz UPUCGVBCTKDMHM-GFCCVEGCSA-N 1 0 347.346 3.405 20 5 EGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC1([C@@H](C)CCO)CCC1 ZINC000866316301 1330095582 /nfs/dbraw/zinc/09/55/82/1330095582.db2.gz XYLVEKJREHAQKD-UONOGXRCSA-N 1 0 338.423 3.443 20 5 EGBDRO C[C@H](NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000868008585 1330240051 /nfs/dbraw/zinc/24/00/51/1330240051.db2.gz GNPWOCIGKGITPB-LBPRGKRZSA-N 1 0 333.432 3.010 20 5 EGBDRO CCCC(=O)N1CCC2(CC[N@H+](Cc3ccccc3[N+](=O)[O-])C2)CC1 ZINC001035149024 1342961432 /nfs/dbraw/zinc/96/14/32/1342961432.db2.gz XCEQLNLJUQTVID-UHFFFAOYSA-N 1 0 345.443 3.209 20 5 EGBDRO CC(C)C(=O)N1CCC2(CC[N@H+](Cc3ccccc3[N+](=O)[O-])C2)CC1 ZINC001035158900 1342976205 /nfs/dbraw/zinc/97/62/05/1342976205.db2.gz UKJMDXFVDDBEDL-UHFFFAOYSA-N 1 0 345.443 3.065 20 5 EGBDRO C[C@H]1CC[NH2+]CC[C@@H]1Oc1cc([N+](=O)[O-])c(Br)cc1F ZINC001218025322 1373540929 /nfs/dbraw/zinc/54/09/29/1373540929.db2.gz SUDYJSKAPASGRZ-UFBFGSQYSA-N 1 0 347.184 3.263 20 5 EGBDRO CC1(NC(=O)C2CCCC2)CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001045344450 1346567093 /nfs/dbraw/zinc/56/70/93/1346567093.db2.gz ZKAPOAHSMYUQTO-UHFFFAOYSA-N 1 0 345.443 3.256 20 5 EGBDRO CC(C)(C)C(=O)N1CC2(C1)CC[NH+](Cc1cccc([N+](=O)[O-])c1)CC2 ZINC001050736408 1348342162 /nfs/dbraw/zinc/34/21/62/1348342162.db2.gz DNFVHGOQAMPXKF-UHFFFAOYSA-N 1 0 345.443 3.065 20 5 EGBDRO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC001116038672 1370824961 /nfs/dbraw/zinc/82/49/61/1370824961.db2.gz ZUXWFVABNDMCBG-JKSUJKDBSA-N 1 0 347.459 3.495 20 5 EGBDRO Cc1ccc([C@H](C)NC(=O)N[C@H]2CCCC[C@@H]2[NH+](C)C)cc1[N+](=O)[O-] ZINC001116225520 1370863149 /nfs/dbraw/zinc/86/31/49/1370863149.db2.gz LSKOGHINDVLXHL-BPUTZDHNSA-N 1 0 348.447 3.136 20 5 EGBDRO CCc1ccc([C@H](NCC[C@@H](C)[NH2+]C)c2ccc([N+](=O)[O-])cc2)o1 ZINC001118059139 1371126540 /nfs/dbraw/zinc/12/65/40/1371126540.db2.gz OJSGLFFHQHULMV-FZKQIMNGSA-N 1 0 331.416 3.427 20 5 EGBDRO CC(C)(C)[NH+]1CCC(NC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC001119855218 1371414924 /nfs/dbraw/zinc/41/49/24/1371414924.db2.gz CPBQMRSBEHTHCA-SJORKVTESA-N 1 0 345.443 3.077 20 5 EGBDRO COc1c(O)ccc(C[NH2+]C[C@@H]2CCCC(F)(F)C2)c1[N+](=O)[O-] ZINC001120051915 1371469760 /nfs/dbraw/zinc/46/97/60/1371469760.db2.gz GGFNZJWBEONBBX-SNVBAGLBSA-N 1 0 330.331 3.224 20 5 EGBDRO CC[NH+](CC)CC[C@H](C)NC(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001122094935 1372173613 /nfs/dbraw/zinc/17/36/13/1372173613.db2.gz SYFIEPVTEVETIP-UONOGXRCSA-N 1 0 336.436 3.075 20 5 EGBDRO CCOC(=O)c1cc([N+](=O)[O-])cc(-n2c(N)[nH+]c3ccc(C)cc32)c1 ZINC001211364236 1372540231 /nfs/dbraw/zinc/54/02/31/1372540231.db2.gz FXXGOAOQRGUJPH-UHFFFAOYSA-N 1 0 340.339 3.001 20 5 EGBDRO C[NH+]1CCN(c2cccc(F)c2Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC001216484301 1373310223 /nfs/dbraw/zinc/31/02/23/1373310223.db2.gz DRRVOPOPCFUHTM-UHFFFAOYSA-N 1 0 348.353 3.368 20 5 EGBDRO O=[N+]([O-])c1ccc2nc(OC3CC[NH2+]CC3)cc(C(F)(F)F)c2c1 ZINC001217963637 1373521017 /nfs/dbraw/zinc/52/10/17/1373521017.db2.gz JQEHQTRBSIZDQT-UHFFFAOYSA-N 1 0 341.289 3.293 20 5 EGBDRO C[C@H]1C[NH2+]CCC[C@@H]1Oc1ccc([N+](=O)[O-])c(Br)c1 ZINC001217987154 1373527129 /nfs/dbraw/zinc/52/71/29/1373527129.db2.gz HUGQIHZSAAZEEP-ZANVPECISA-N 1 0 329.194 3.124 20 5 EGBDRO C[C@@H]1C[NH2+]CCC[C@@H]1Oc1ccc([N+](=O)[O-])c(Br)c1 ZINC001217987148 1373527304 /nfs/dbraw/zinc/52/73/04/1373527304.db2.gz HUGQIHZSAAZEEP-RNCFNFMXSA-N 1 0 329.194 3.124 20 5 EGBDRO C[C@@H]1C[NH2+]CCC[C@H]1Oc1cc([N+](=O)[O-])cc(F)c1Br ZINC001217987760 1373527537 /nfs/dbraw/zinc/52/75/37/1373527537.db2.gz BHMGBNOSZYBTHS-LDYMZIIASA-N 1 0 347.184 3.263 20 5 EGBDRO Cc1cc(Br)c(O[C@H](C)C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC001218008180 1373534773 /nfs/dbraw/zinc/53/47/73/1373534773.db2.gz CDKIONNNBUKRMX-SNVBAGLBSA-N 1 0 343.221 3.433 20 5 EGBDRO C[C@@H]1CC[NH2+]CC[C@@H]1Oc1c(Br)cccc1[N+](=O)[O-] ZINC001218028156 1373542182 /nfs/dbraw/zinc/54/21/82/1373542182.db2.gz SUBQQZBYSXSZEX-SKDRFNHKSA-N 1 0 329.194 3.124 20 5 EGBDRO C[C@@H]1CC[NH2+]CC[C@@H]1Oc1cc([N+](=O)[O-])cc(F)c1Br ZINC001218031416 1373543303 /nfs/dbraw/zinc/54/33/03/1373543303.db2.gz OAIQTKFLIDYJHF-KCJUWKMLSA-N 1 0 347.184 3.263 20 5 EGBDRO C[C@@H]1C[C@H](Oc2cc(C(=O)OC(C)(C)C)ccc2[N+](=O)[O-])CC[NH2+]1 ZINC001218053760 1373548626 /nfs/dbraw/zinc/54/86/26/1373548626.db2.gz UFNPJGHLMRXPSQ-DGCLKSJQSA-N 1 0 336.388 3.069 20 5 EGBDRO O=[N+]([O-])c1cc(OC(F)(F)F)ccc1O[C@@H]1CCC12CC[NH2+]CC2 ZINC001218079417 1373556356 /nfs/dbraw/zinc/55/63/56/1373556356.db2.gz DVPNGEJZKAHPTJ-CYBMUJFWSA-N 1 0 346.305 3.404 20 5 EGBDRO O=[N+]([O-])c1cc2nc(O[C@H]3CCC[C@]34CC[NH2+]C4)[nH]c2cc1Cl ZINC001218097962 1373559879 /nfs/dbraw/zinc/55/98/79/1373559879.db2.gz WKGQJKOWMPUNHB-DZGCQCFKSA-N 1 0 336.779 3.036 20 5 EGBDRO O=[N+]([O-])c1cc(-c2ccccc2)ccc1O[C@H]1C[NH2+][C@@H]2CCCO[C@@H]21 ZINC001218165194 1373572094 /nfs/dbraw/zinc/57/20/94/1373572094.db2.gz UAGGHWSXARRRSA-MNEFBYGVSA-N 1 0 340.379 3.160 20 5 EGBDRO CC(C)(C)c1cc([N+](=O)[O-])c(O[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)c([N+](=O)[O-])c1 ZINC001218187778 1373574597 /nfs/dbraw/zinc/57/45/97/1373574597.db2.gz ZJGJLUGSHVPNNS-ITGUQSILSA-N 1 0 349.387 3.462 20 5 EGBDRO CCC(C)(C)c1cc([N+](=O)[O-])c(O[C@H]2CCC23C[NH2+]C3)c([N+](=O)[O-])c1 ZINC001218244844 1373582514 /nfs/dbraw/zinc/58/25/14/1373582514.db2.gz SNKIUJCISQVCLG-AWEZNQCLSA-N 1 0 349.387 3.321 20 5 EGBDRO O=[N+]([O-])c1ccc(Br)c(OC2CCC3(C[NH2+]C3)CC2)c1 ZINC001218262742 1373585589 /nfs/dbraw/zinc/58/55/89/1373585589.db2.gz TUSFTKMERWHJPK-UHFFFAOYSA-N 1 0 341.205 3.268 20 5 EGBDRO O=[N+]([O-])c1cc(Br)cc(O[C@@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC001218309460 1373592906 /nfs/dbraw/zinc/59/29/06/1373592906.db2.gz RLXWZCOOLGPBKE-GFCCVEGCSA-N 1 0 341.205 3.411 20 5 EGBDRO CC1(C)C[NH2+]CC[C@H]1Oc1ccc(OC(F)(F)F)cc1[N+](=O)[O-] ZINC001218311071 1373593115 /nfs/dbraw/zinc/59/31/15/1373593115.db2.gz FTZXSPLMSMLRNQ-GFCCVEGCSA-N 1 0 334.294 3.260 20 5 EGBDRO O=[N+]([O-])c1ccc2nc(O[C@H]3C=CC[NH2+]C3)cc(C(F)(F)F)c2c1 ZINC001218338301 1373599963 /nfs/dbraw/zinc/59/99/63/1373599963.db2.gz VYCCLSZRUDAZQU-JTQLQIEISA-N 1 0 339.273 3.069 20 5 EGBDRO CC1(C)C[C@@H](Oc2c(Br)c(F)ccc2[N+](=O)[O-])CC[NH2+]1 ZINC001218476624 1373621766 /nfs/dbraw/zinc/62/17/66/1373621766.db2.gz JAYHHDRDKLDQIG-QMMMGPOBSA-N 1 0 347.184 3.406 20 5 EGBDRO CC(C)C[C@@](C)([NH3+])C(=O)n1c2ccccc2cc2c(=O)c(N)ccc1-2 ZINC001219256399 1373695977 /nfs/dbraw/zinc/69/59/77/1373695977.db2.gz RYVVLEVXHIVOKR-HXUWFJFHSA-N 1 0 337.423 3.092 20 5 EGBDRO Cc1cc(O[C@@H]2CCC[N@@H+]([C@H](C)c3ccccn3)C2)ncc1[N+](=O)[O-] ZINC001225658863 1375139574 /nfs/dbraw/zinc/13/95/74/1375139574.db2.gz LZNDTEBHQHKZDF-HUUCEWRRSA-N 1 0 342.399 3.298 20 5 EGBDRO CCC(CC)C(=O)NC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001226169792 1375214827 /nfs/dbraw/zinc/21/48/27/1375214827.db2.gz SDRYPGOCBFWOEC-UHFFFAOYSA-N 1 0 333.432 3.112 20 5 EGBDRO Cc1cc(O[C@H](C)C[N+](C)(C)C)ccc1I ZINC001226931451 1375360545 /nfs/dbraw/zinc/36/05/45/1375360545.db2.gz MBKVGVIKQSEDRA-LLVKDONJSA-N 1 0 334.221 3.073 20 5 EGBDRO CC(C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cc(Cl)c([N+](=O)[O-])cn1)C2 ZINC001226915989 1375356072 /nfs/dbraw/zinc/35/60/72/1375356072.db2.gz UVLAVIAFLDEMAY-GDNZZTSVSA-N 1 0 325.796 3.426 20 5 EGBDRO O=[N+]([O-])c1cncc(O[C@@H]2CC[N@H+](Cc3ccccc3Cl)C2)c1 ZINC001227990246 1375499482 /nfs/dbraw/zinc/49/94/82/1375499482.db2.gz HRVYZYSBNDLXTJ-CQSZACIVSA-N 1 0 333.775 3.297 20 5 EGBDRO Cc1cc(O[C@H]2C[NH+]3CCC2CC3)c([N+](=O)[O-])cc1Br ZINC001228000492 1375501283 /nfs/dbraw/zinc/50/12/83/1375501283.db2.gz JNWZKJARAFHEIO-AWEZNQCLSA-N 1 0 341.205 3.139 20 5 EGBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc2c(c1)N(C(=O)OC(C)(C)C)CC2 ZINC001229177478 1375781669 /nfs/dbraw/zinc/78/16/69/1375781669.db2.gz IYDHQPDSMXDJSX-AWEZNQCLSA-N 1 0 335.468 3.458 20 5 EGBDRO CC(C)N1CC(Oc2c3ccccc3c([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001229421281 1375831642 /nfs/dbraw/zinc/83/16/42/1375831642.db2.gz NIVNJZSSIPVDDX-UHFFFAOYSA-N 1 0 331.328 3.128 20 5 EGBDRO O=[N+]([O-])c1cc2c[nH]nc2cc1O[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001230595568 1376091892 /nfs/dbraw/zinc/09/18/92/1376091892.db2.gz KUVZUGXRQIPRQA-HNNXBMFYSA-N 1 0 338.367 3.124 20 5 EGBDRO Cc1noc([C@@H]2CC[N@H+](Cc3ccc4ccc5cccnc5c4n3)C2)n1 ZINC001232226312 1376420221 /nfs/dbraw/zinc/42/02/21/1376420221.db2.gz UJAHNDGSVAWBNV-MRXNPFEDSA-N 1 0 345.406 3.464 20 5 EGBDRO CCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232227679 1376420229 /nfs/dbraw/zinc/42/02/29/1376420229.db2.gz LCZGRPCAJAQGOL-QGZVFWFLSA-N 1 0 348.450 3.274 20 5 EGBDRO O=[N+]([O-])c1ccc(O[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC001233705197 1376699412 /nfs/dbraw/zinc/69/94/12/1376699412.db2.gz WBDDQJBSZGHISO-OAHLLOKOSA-N 1 0 343.339 3.156 20 5 EGBDRO C[C@@H]1C[C@H](Nc2ncnc3c(Cl)cc([N+](=O)[O-])cc23)CC[N@@H+]1C ZINC001327687695 1388582471 /nfs/dbraw/zinc/58/24/71/1388582471.db2.gz JRAWAALIODQAHR-NXEZZACHSA-N 1 0 335.795 3.086 20 5 EGBDRO CC(C)(C)CC(C)(C)C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001151938307 1379819369 /nfs/dbraw/zinc/81/93/69/1379819369.db2.gz ITKVKODWFUJKFE-UHFFFAOYSA-N 1 0 335.448 3.263 20 5 EGBDRO CCN(C)[C@H](C(=O)OCc1ccc(F)cc1[N+](=O)[O-])c1ccccc1 ZINC001327947018 1388630796 /nfs/dbraw/zinc/63/07/96/1388630796.db2.gz ZRMFRORBTVYKPF-KRWDZBQOSA-N 1 0 346.358 3.470 20 5 EGBDRO O=C(CCC1CCCC1)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001154278285 1380245517 /nfs/dbraw/zinc/24/55/17/1380245517.db2.gz WNKWAWKEYALQAO-UHFFFAOYSA-N 1 0 333.432 3.161 20 5 EGBDRO O=[N+]([O-])c1cccc2nc(NCc3ccc4c(c3)CC[NH2+]C4)ccc21 ZINC001155268481 1380431098 /nfs/dbraw/zinc/43/10/98/1380431098.db2.gz PWEYMLAHVRXZPE-UHFFFAOYSA-N 1 0 334.379 3.401 20 5 EGBDRO O=C(CC1=CCCCC1)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001155741111 1380488507 /nfs/dbraw/zinc/48/85/07/1380488507.db2.gz MHIHLLUENGSBQI-UHFFFAOYSA-N 1 0 337.445 3.143 20 5 EGBDRO C[C@H](Nc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1)c1ccc2ccccc2c1 ZINC001156134980 1380530090 /nfs/dbraw/zinc/53/00/90/1380530090.db2.gz PTNPHDYYXZYMTH-LBPRGKRZSA-N 1 0 349.394 3.398 20 5 EGBDRO C[NH+](C)C[C@@]12C[C@@H]1CN(c1cc3ccc(Cl)nc3cc1[N+](=O)[O-])C2 ZINC001156401861 1380572060 /nfs/dbraw/zinc/57/20/60/1380572060.db2.gz NHCDKLPCPUPDNL-SJKOYZFVSA-N 1 0 346.818 3.184 20 5 EGBDRO CN(C)/C=C/c1cc(N2C(C)(C)CC([NH3+])CC2(C)C)ncc1[N+](=O)[O-] ZINC001156775570 1380632661 /nfs/dbraw/zinc/63/26/61/1380632661.db2.gz VTSLWBZDRNZSPE-BQYQJAHWSA-N 1 0 347.463 3.007 20 5 EGBDRO C[N@@H+]1CCC[C@@H]2CN(c3nc4ccccc4c(Cl)c3[N+](=O)[O-])C[C@@H]21 ZINC001157266792 1380827465 /nfs/dbraw/zinc/82/74/65/1380827465.db2.gz XFKWZEZIMRACAU-RISCZKNCSA-N 1 0 346.818 3.327 20 5 EGBDRO Cc1cnc(-n2nc(C3CC[NH2+]CC3)c3ccccc32)c([N+](=O)[O-])c1 ZINC001157375982 1380857097 /nfs/dbraw/zinc/85/70/97/1380857097.db2.gz GLKAQNWOGSUVQN-UHFFFAOYSA-N 1 0 337.383 3.104 20 5 EGBDRO O=C(c1c2ccccc2cc2ccccc21)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158180494 1381150018 /nfs/dbraw/zinc/15/00/18/1381150018.db2.gz XYBDZWFQOGGLEP-YLJYHZDGSA-N 1 0 346.430 3.053 20 5 EGBDRO CC(C)=CCC/C(C)=C/CNc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001158259561 1381175305 /nfs/dbraw/zinc/17/53/05/1381175305.db2.gz PDAJGQFIKCDBIP-NTUHNPAUSA-N 1 0 331.420 3.176 20 5 EGBDRO CC1(C)C[C@@H](Nc2cnc3ccc([N+](=O)[O-])cc3n2)C[C@](C)(C[NH3+])C1 ZINC001158269576 1381179508 /nfs/dbraw/zinc/17/95/08/1381179508.db2.gz SKMNQKGOELWJAH-XIKOKIGWSA-N 1 0 343.431 3.494 20 5 EGBDRO [NH3+]Cc1cccc2c1cnn2-c1nc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001158307531 1381194432 /nfs/dbraw/zinc/19/44/32/1381194432.db2.gz AGSNUDYAXSAFRX-UHFFFAOYSA-N 1 0 338.154 3.094 20 5 EGBDRO CC[N@@H+]1CCN(c2cc3ncnc(Cl)c3cc2[N+](=O)[O-])C(C)(C)C1 ZINC001158563142 1381301278 /nfs/dbraw/zinc/30/12/78/1381301278.db2.gz ZFGFYXYPFCTDDP-UHFFFAOYSA-N 1 0 349.822 3.112 20 5 EGBDRO Cc1ccc(Nc2cccnc2OCC2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC001159295406 1381755517 /nfs/dbraw/zinc/75/55/17/1381755517.db2.gz CTXVQGVOXFNXRA-UHFFFAOYSA-N 1 0 342.399 3.420 20 5 EGBDRO C[C@@H](Nc1ccc2ccc3ccc(Cl)nc3c2n1)[C@@H]1C[NH2+]CCO1 ZINC001159499389 1381808275 /nfs/dbraw/zinc/80/82/75/1381808275.db2.gz PLXVCDPFRNOTOZ-RISCZKNCSA-N 1 0 342.830 3.225 20 5 EGBDRO COc1ccc(Nc2ccc(OC3CC[NH2+]CC3)cc2)c([N+](=O)[O-])c1 ZINC001159629678 1381853435 /nfs/dbraw/zinc/85/34/35/1381853435.db2.gz JGTAHIMSLBMTRT-UHFFFAOYSA-N 1 0 343.383 3.478 20 5 EGBDRO O=[N+]([O-])c1ccc(F)c(Nc2ccc(O[C@H]3CC[NH2+]C3)cc2)c1F ZINC001159922578 1381938500 /nfs/dbraw/zinc/93/85/00/1381938500.db2.gz KXPBMUWJSWUIDY-LBPRGKRZSA-N 1 0 335.310 3.357 20 5 EGBDRO [NH3+][C@H]1CCc2c3ccccc3n(-c3ncc([N+](=O)[O-])cc3Cl)c2C1 ZINC001159947305 1381946307 /nfs/dbraw/zinc/94/63/07/1381946307.db2.gz LJPRSSXPINFDOJ-JTQLQIEISA-N 1 0 342.786 3.403 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1Nc1cc(F)ccc1N1CC[C@@H]([NH3+])C1 ZINC001160056334 1381984135 /nfs/dbraw/zinc/98/41/35/1381984135.db2.gz VGTGQOJJBQTCNL-GFCCVEGCSA-N 1 0 346.362 3.024 20 5 EGBDRO [NH3+][C@@H]1CCN(c2cccc(F)c2Nc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001160070780 1381989151 /nfs/dbraw/zinc/98/91/51/1381989151.db2.gz LIXOGLNREZGKFI-LLVKDONJSA-N 1 0 334.326 3.154 20 5 EGBDRO O=[N+]([O-])c1cccc(Nc2cccc(F)c2N2CC[NH2+]CC2)c1F ZINC001160113753 1382000669 /nfs/dbraw/zinc/00/06/69/1382000669.db2.gz DFICFLNSRFUPSU-UHFFFAOYSA-N 1 0 334.326 3.026 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(-n2c(CC[NH3+])cc3ccccc32)nc1Cl ZINC001160124984 1382005209 /nfs/dbraw/zinc/00/52/09/1382005209.db2.gz QVXNZCUEOVVOOC-UHFFFAOYSA-N 1 0 330.775 3.397 20 5 EGBDRO O=[N+]([O-])c1ccc(F)c(Nc2cccc3c2[C@@H]2C[NH2+]C[C@H]2O3)c1F ZINC001160400084 1382094350 /nfs/dbraw/zinc/09/43/50/1382094350.db2.gz PMXLEMFVRVNTGX-AMIZOPFISA-N 1 0 333.294 3.064 20 5 EGBDRO CN(Cc1c2ccccc2cc2ccccc21)C(=O)[C@]1(N)CCC[NH2+]C1 ZINC001160737945 1382182217 /nfs/dbraw/zinc/18/22/17/1382182217.db2.gz KVJOYAQLUSQCGT-QFIPXVFZSA-N 1 0 347.462 3.032 20 5 EGBDRO O=[N+]([O-])c1c(Cl)ccnc1NC1CC[NH+](Cc2ccncc2)CC1 ZINC001161100989 1382296881 /nfs/dbraw/zinc/29/68/81/1382296881.db2.gz DFZIGBVQMOZDTP-UHFFFAOYSA-N 1 0 347.806 3.115 20 5 EGBDRO [NH3+]CCN(c1ccc(F)cc1)c1ccc2c(cccc2[N+](=O)[O-])n1 ZINC001161877201 1382537031 /nfs/dbraw/zinc/53/70/31/1382537031.db2.gz APEHHIBCJQCEMF-UHFFFAOYSA-N 1 0 326.331 3.379 20 5 EGBDRO COc1nc(N(CC2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)ccc1[N+](=O)[O-] ZINC001162186176 1382651790 /nfs/dbraw/zinc/65/17/90/1382651790.db2.gz HQIJJTCHCGUDKG-SHTZXODSSA-N 1 0 348.447 3.265 20 5 EGBDRO O=[N+]([O-])c1cccc2ccc(NC[C@]3(CC4CC4)CCC[NH2+]3)nc21 ZINC001162350765 1382736887 /nfs/dbraw/zinc/73/68/87/1382736887.db2.gz NYJVIPBOBBLFOC-GOSISDBHSA-N 1 0 326.400 3.477 20 5 EGBDRO Cc1c(-n2c3ccccc3nc2[C@@H](C)[NH3+])ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001162766352 1382865503 /nfs/dbraw/zinc/86/55/03/1382865503.db2.gz MXSYFBSDCFBFLE-SNVBAGLBSA-N 1 0 341.327 3.170 20 5 EGBDRO Cc1ccc2c(ccnc2N2C[C@@H]([NH3+])Cc3ccccc32)c1[N+](=O)[O-] ZINC001162843070 1382893059 /nfs/dbraw/zinc/89/30/59/1382893059.db2.gz AXMRQKIDNYVCQY-AWEZNQCLSA-N 1 0 334.379 3.473 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1NC[C@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001162966272 1382930852 /nfs/dbraw/zinc/93/08/52/1382930852.db2.gz SGCHHIHHVIVWBW-MRXNPFEDSA-N 1 0 347.459 3.481 20 5 EGBDRO Cc1cc(Cl)nc(-n2cnc(-c3ccc(C[NH3+])cc3)c2)c1[N+](=O)[O-] ZINC001163215974 1382994728 /nfs/dbraw/zinc/99/47/28/1382994728.db2.gz SYPYAHGSIBAQCN-UHFFFAOYSA-N 1 0 343.774 3.263 20 5 EGBDRO O=[N+]([O-])c1ccc2nc(N[C@@H]3C[NH2+]Cc4ccsc43)ccc2c1 ZINC001163219621 1382995706 /nfs/dbraw/zinc/99/57/06/1382995706.db2.gz CFNUVZBBDLNWQT-CQSZACIVSA-N 1 0 326.381 3.461 20 5 EGBDRO O=[N+]([O-])c1cnc(N[C@@H]2C[NH2+]Cc3ccsc32)c(C(F)(F)F)c1 ZINC001163228156 1382999065 /nfs/dbraw/zinc/99/90/65/1382999065.db2.gz IIIMQSMXPXVVQO-SNVBAGLBSA-N 1 0 344.318 3.327 20 5 EGBDRO Cc1ccc(-c2ccc(N[C@H](C[NH3+])c3ccccc3)nn2)cc1[N+](=O)[O-] ZINC001163297435 1383014417 /nfs/dbraw/zinc/01/44/17/1383014417.db2.gz AJGTVOOOMRDLJP-QGZVFWFLSA-N 1 0 349.394 3.472 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@@H]2CCO[C@]3(CC[NH2+]C3)C2)c2ccccc21 ZINC001163329150 1383023954 /nfs/dbraw/zinc/02/39/54/1383023954.db2.gz XIEVLTZIKPCMTO-FZKQIMNGSA-N 1 0 327.384 3.071 20 5 EGBDRO Cc1c(C)n(-c2ncnc(Cl)c2[N+](=O)[O-])c2ccc(C[NH3+])cc12 ZINC001163756091 1383118271 /nfs/dbraw/zinc/11/82/71/1383118271.db2.gz SWARCCWHAKYWLK-UHFFFAOYSA-N 1 0 331.763 3.058 20 5 EGBDRO COc1ncc([N+](=O)[O-])cc1-n1c(C[NH3+])cc2cc(Cl)ccc21 ZINC001163897124 1383133929 /nfs/dbraw/zinc/13/39/29/1383133929.db2.gz BTEFDUPQASAOIO-UHFFFAOYSA-N 1 0 332.747 3.054 20 5 EGBDRO O=C(CC1CCC1)NCCC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001163960351 1383140043 /nfs/dbraw/zinc/14/00/43/1383140043.db2.gz YIEDRFMPTTUHGY-UHFFFAOYSA-N 1 0 345.443 3.161 20 5 EGBDRO COc1ccc(O[C@@H](C)CNc2cc3c(cc2[N+](=O)[O-])C[NH2+]C3)cc1 ZINC001164052098 1383150834 /nfs/dbraw/zinc/15/08/34/1383150834.db2.gz XGUUVOBIUGPNJG-LBPRGKRZSA-N 1 0 343.383 3.086 20 5 EGBDRO CCCC1(C(=O)NCCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCC1 ZINC001164213217 1383166569 /nfs/dbraw/zinc/16/65/69/1383166569.db2.gz FIMRHIAVVOEIDG-UHFFFAOYSA-N 1 0 333.432 3.161 20 5 EGBDRO CC/C(C)=C\C(=O)NCCC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001164448651 1383187827 /nfs/dbraw/zinc/18/78/27/1383187827.db2.gz XBEBSJPDUBLOOK-QINSGFPZSA-N 1 0 345.443 3.327 20 5 EGBDRO C[C@@H]1CC[C@H](C[NH3+])CN1c1nc2ccccc2c(Cl)c1[N+](=O)[O-] ZINC001164462843 1383189394 /nfs/dbraw/zinc/18/93/94/1383189394.db2.gz VBQUNGDTISYVSK-GHMZBOCLSA-N 1 0 334.807 3.360 20 5 EGBDRO CC[NH+]1CCC(N(C)c2cc3ncnc(Cl)c3cc2[N+](=O)[O-])CC1 ZINC001165067800 1383220817 /nfs/dbraw/zinc/22/08/17/1383220817.db2.gz JNRMGHUSIJMAJG-UHFFFAOYSA-N 1 0 349.822 3.112 20 5 EGBDRO [NH3+]Cc1cnc2c(ccn2-c2ccc3cc(F)cc([N+](=O)[O-])c3n2)c1 ZINC001167311299 1383593047 /nfs/dbraw/zinc/59/30/47/1383593047.db2.gz GMHKJMKYFHOPIB-UHFFFAOYSA-N 1 0 337.314 3.080 20 5 EGBDRO CCOC(=O)c1cccc([N+](=O)[O-])c1N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001168600940 1383945937 /nfs/dbraw/zinc/94/59/37/1383945937.db2.gz JQIVBXMMEMJJIF-KBPBESRZSA-N 1 0 335.404 3.056 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2ccc(F)c(Br)c2)C1 ZINC001168959044 1384070469 /nfs/dbraw/zinc/07/04/69/1384070469.db2.gz SRUMAPDWQWUFLO-QWRGUYRKSA-N 1 0 331.185 3.123 20 5 EGBDRO CC(C)(C)OC(=O)NCCCCCC[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168960772 1384071581 /nfs/dbraw/zinc/07/15/81/1384071581.db2.gz GZCABNGWLCNLOY-LSDHHAIUSA-N 1 0 343.468 3.107 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CCCc2ccccc2Br)C1 ZINC001168978785 1384077550 /nfs/dbraw/zinc/07/75/50/1384077550.db2.gz UEOLGWJLXIRHBJ-OCCSQVGLSA-N 1 0 341.249 3.417 20 5 EGBDRO [NH3+]CCCc1nc2ccc(Cl)cc2n1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168979221 1384077817 /nfs/dbraw/zinc/07/78/17/1384077817.db2.gz XFWULAFODOCYQF-AAEUAGOBSA-N 1 0 336.823 3.199 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(F)cc2Br)C1 ZINC001168984678 1384079468 /nfs/dbraw/zinc/07/94/68/1384079468.db2.gz PVHBSRSTJDKLRS-BXKDBHETSA-N 1 0 331.185 3.123 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CCc2ccc(OCC(F)(F)F)cc2)C1 ZINC001168988255 1384080281 /nfs/dbraw/zinc/08/02/81/1384080281.db2.gz PSYZMMKOQBIUSS-KGLIPLIRSA-N 1 0 346.349 3.205 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2cn(Cc3cccc(Cl)c3)cn2)C1 ZINC001168997742 1384082816 /nfs/dbraw/zinc/08/28/16/1384082816.db2.gz FHYYHWPPSGGCKW-ZBFHGGJFSA-N 1 0 348.834 3.120 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+][C@@H](CO)c2ccc(Cl)c(Cl)c2)C1 ZINC001169000746 1384083964 /nfs/dbraw/zinc/08/39/64/1384083964.db2.gz BGCJFUJVLWFZPC-PXWWUCIGSA-N 1 0 333.215 3.062 20 5 EGBDRO COc1cccc(-c2nc(C[NH2+][C@@H]3CC[C@H](C[N+](=O)[O-])C3)cs2)c1 ZINC001169008716 1384087618 /nfs/dbraw/zinc/08/76/18/1384087618.db2.gz UJAKANHKPOSKCY-GXTWGEPZSA-N 1 0 347.440 3.354 20 5 EGBDRO COc1cccc(C(=O)C2CC[NH+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)c1 ZINC001169012699 1384089937 /nfs/dbraw/zinc/08/99/37/1384089937.db2.gz RSSPQKJJCYKJOJ-WMLDXEAASA-N 1 0 346.427 3.035 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCC[C@]3(C[C@@H](c4ccccc4)CO3)C2)C1 ZINC001169021743 1384091227 /nfs/dbraw/zinc/09/12/27/1384091227.db2.gz PYQSOAAUKZYVBH-LMCOJAPRSA-N 1 0 344.455 3.471 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCC(Oc3ccc(F)cc3F)CC2)C1 ZINC001169030311 1384094684 /nfs/dbraw/zinc/09/46/84/1384094684.db2.gz YPBDFXNKOSAKMH-GXTWGEPZSA-N 1 0 340.370 3.253 20 5 EGBDRO COc1ccc(C[C@@H]2CCC[N@@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)cc1 ZINC001169040441 1384098346 /nfs/dbraw/zinc/09/83/46/1384098346.db2.gz ZVMUVNARYQNCCY-KSZLIROESA-N 1 0 332.444 3.395 20 5 EGBDRO COc1cccc(OCC2CC[NH+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)c1 ZINC001169038827 1384098444 /nfs/dbraw/zinc/09/84/44/1384098444.db2.gz KTYUGJXKVSIJEB-IAGOWNOFSA-N 1 0 348.443 3.231 20 5 EGBDRO CCOC(=O)CCC[N@H+](Cc1ccccc1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169050606 1384100709 /nfs/dbraw/zinc/10/07/09/1384100709.db2.gz BXKNGNVVWDVBAB-ZWKOTPCHSA-N 1 0 348.443 3.277 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCC(n3cnc4ccccc43)CC2)C1 ZINC001169055333 1384101418 /nfs/dbraw/zinc/10/14/18/1384101418.db2.gz PRTOLULGMVEBMA-GDBMZVCRSA-N 1 0 328.416 3.119 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+]CCCc2ccncc2)c([N+](=O)[O-])c1 ZINC001170297379 1384284941 /nfs/dbraw/zinc/28/49/41/1384284941.db2.gz NGSCUVPQWBTYSF-CQSZACIVSA-N 1 0 329.400 3.152 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+][C@H]2COc3ccccc32)c([N+](=O)[O-])c1 ZINC001170305626 1384287118 /nfs/dbraw/zinc/28/71/18/1384287118.db2.gz OFKREEIMENRPCA-WBMJQRKESA-N 1 0 328.368 3.258 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+]Cc2cncc(Cl)c2)c([N+](=O)[O-])c1 ZINC001170312662 1384288844 /nfs/dbraw/zinc/28/88/44/1384288844.db2.gz GQGNKJSVGVDBGW-NSHDSACASA-N 1 0 335.791 3.373 20 5 EGBDRO COc1ccc(C[C@H](C)[N@@H+]2CC[C@@]3(C2)CCCCO3)c([N+](=O)[O-])c1 ZINC001170334476 1384293952 /nfs/dbraw/zinc/29/39/52/1384293952.db2.gz FLHHERIGBRYFHS-KBXCAEBGSA-N 1 0 334.416 3.179 20 5 EGBDRO COC[C@@]12CCC[C@@H]1C[N@@H+]([C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])C2 ZINC001170341857 1384295236 /nfs/dbraw/zinc/29/52/36/1384295236.db2.gz SUCRKPAVTQGELM-OGWOLHLISA-N 1 0 348.443 3.283 20 5 EGBDRO [NH3+]Cc1ccc2cn(-c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)nc2c1 ZINC001171324661 1384494915 /nfs/dbraw/zinc/49/49/15/1384494915.db2.gz HDBRDGXOCTUWEE-UHFFFAOYSA-N 1 0 336.273 3.411 20 5 EGBDRO CC(C)(C)OC(=O)c1ccc(NC[C@@H]2CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC001171335058 1384496503 /nfs/dbraw/zinc/49/65/03/1384496503.db2.gz RSKCQKGVXHYPKY-ZDUSSCGKSA-N 1 0 335.404 3.104 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]Cc1cnc3ccccn13)CC2 ZINC001172895462 1384873721 /nfs/dbraw/zinc/87/37/21/1384873721.db2.gz DSDNYHSTBQEOCY-INIZCTEOSA-N 1 0 336.395 3.280 20 5 EGBDRO NC(=[NH2+])N(c1ccc(F)cc1)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172901166 1384874263 /nfs/dbraw/zinc/87/42/63/1384874263.db2.gz KIARFDRUGZXADT-HNNXBMFYSA-N 1 0 342.374 3.381 20 5 EGBDRO [NH3+]CCc1ccc(N[C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)cc1 ZINC001172900631 1384874280 /nfs/dbraw/zinc/87/42/80/1384874280.db2.gz XBXQWBLGAICELT-GOSISDBHSA-N 1 0 325.412 3.456 20 5 EGBDRO CC[N@H+](CCn1ccnc1)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172911681 1384876084 /nfs/dbraw/zinc/87/60/84/1384876084.db2.gz DWHGRQNKRSPRKQ-KRWDZBQOSA-N 1 0 328.416 3.061 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@@H](CO)c1cccc(F)c1)CC2 ZINC001172910935 1384876434 /nfs/dbraw/zinc/87/64/34/1384876434.db2.gz DVVHHVUKJOTPGS-MJGOQNOKSA-N 1 0 344.386 3.305 20 5 EGBDRO COc1ccc(CC[NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)nc1 ZINC001172910829 1384876452 /nfs/dbraw/zinc/87/64/52/1384876452.db2.gz DKGLGCRWVLLWIV-INIZCTEOSA-N 1 0 341.411 3.078 20 5 EGBDRO COC(=O)CC[C@@H]1CC[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172914798 1384877536 /nfs/dbraw/zinc/87/75/36/1384877536.db2.gz IYWQXPNLRKXGFI-RHSMWYFYSA-N 1 0 346.427 3.117 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1CCC[C@@H]1CN1CCCC1)CC2 ZINC001172915261 1384877674 /nfs/dbraw/zinc/87/76/74/1384877674.db2.gz MTTNJDRLVIECAR-AZUAARDMSA-N 1 0 343.471 3.402 20 5 EGBDRO CCC[N@H+](CC(=O)OCC)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172918673 1384878279 /nfs/dbraw/zinc/87/82/79/1384878279.db2.gz CBAFCAFGQLLDCQ-MRXNPFEDSA-N 1 0 334.416 3.117 20 5 EGBDRO C[C@@H]1C[N@@H+](C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C[C@@H]1F ZINC001173010065 1384897804 /nfs/dbraw/zinc/89/78/04/1384897804.db2.gz LOTLDJZWVWCDRP-BMIGLBTASA-N 1 0 343.349 3.132 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C2Cc3ccccc3C2)c1F ZINC001173174662 1384930834 /nfs/dbraw/zinc/93/08/34/1384930834.db2.gz AFMWWEVVJXCPMJ-LBPRGKRZSA-N 1 0 344.386 3.431 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@H](C)c2cccnc2)c1F ZINC001173175095 1384930853 /nfs/dbraw/zinc/93/08/53/1384930853.db2.gz KQTQBEXIFQVLAP-NWDGAFQWSA-N 1 0 333.363 3.419 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C[C@@H]2CC[C@@H](F)C2)c1F ZINC001173175578 1384931471 /nfs/dbraw/zinc/93/14/71/1384931471.db2.gz POCIJGWZNWZEMX-QJPTWQEYSA-N 1 0 328.359 3.401 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH+]2CCC(C)(F)CC2)c1F ZINC001173179812 1384932238 /nfs/dbraw/zinc/93/22/38/1384932238.db2.gz HDWSCPFCUKWIFD-NSHDSACASA-N 1 0 328.359 3.498 20 5 EGBDRO Cc1cccc2c1[C@@H]([NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)N2 ZINC001173212582 1384937237 /nfs/dbraw/zinc/93/72/37/1384937237.db2.gz BDMNCTKEQWRTPR-SJKOYZFVSA-N 1 0 325.368 3.117 20 5 EGBDRO CSCC[C@@H]([NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1)C(C)(C)O ZINC001173215853 1384937717 /nfs/dbraw/zinc/93/77/17/1384937717.db2.gz FOXBCOCUMIKYOC-IUODEOHRSA-N 1 0 326.462 3.008 20 5 EGBDRO CCOC(=O)C[C@@H]1CCC[N@@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173221478 1384938030 /nfs/dbraw/zinc/93/80/30/1384938030.db2.gz ITJNIFKOGSWHNH-ZBFHGGJFSA-N 1 0 334.416 3.191 20 5 EGBDRO COc1cccc2c1C[C@@H]([NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1)CO2 ZINC001173220115 1384938191 /nfs/dbraw/zinc/93/81/91/1384938191.db2.gz UDYXBRGWAZNMRN-DZGCQCFKSA-N 1 0 342.395 3.128 20 5 EGBDRO Cc1cccc(C2([NH2+][C@@H](C)Cc3ccc([N+](=O)[O-])cc3)COC2)c1 ZINC001173219049 1384938347 /nfs/dbraw/zinc/93/83/47/1384938347.db2.gz VZTZBVIMBINMQY-HNNXBMFYSA-N 1 0 326.396 3.350 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001173222139 1384938466 /nfs/dbraw/zinc/93/84/66/1384938466.db2.gz PLRXBQLDILHMPW-ZFWWWQNUSA-N 1 0 349.431 3.125 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC001173224437 1384938993 /nfs/dbraw/zinc/93/89/93/1384938993.db2.gz FVEWTDAZGIYARI-OAHLLOKOSA-N 1 0 341.411 3.054 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccnc(OC2CCC2)n1 ZINC001173222976 1384939170 /nfs/dbraw/zinc/93/91/70/1384939170.db2.gz GFUUDALDQCSFCX-ZDUSSCGKSA-N 1 0 342.399 3.037 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@H]2c3ccccc3C(=O)[C@H]2C1 ZINC001173222549 1384939348 /nfs/dbraw/zinc/93/93/48/1384939348.db2.gz SYPRCJPSTDMGLP-AGRHKRQWSA-N 1 0 336.391 3.438 20 5 EGBDRO CC(=O)N1CCCC[C@@]12CC[N@@H+]([C@H](C)Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001173228086 1384940276 /nfs/dbraw/zinc/94/02/76/1384940276.db2.gz TYCSGHTWZYKIJC-BEFAXECRSA-N 1 0 345.443 3.003 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCC(=O)Nc1ccccc1 ZINC001173232885 1384941717 /nfs/dbraw/zinc/94/17/17/1384941717.db2.gz GMEYAVSSNWVKHV-AWEZNQCLSA-N 1 0 327.384 3.144 20 5 EGBDRO Cc1cnccc1O[C@@H]1CC[N@@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173232360 1384941728 /nfs/dbraw/zinc/94/17/28/1384941728.db2.gz AXHBWEUNVJAKPS-MAUKXSAKSA-N 1 0 341.411 3.383 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]([NH+]2CCCC2)[C@@H](F)C1 ZINC001173238444 1384942864 /nfs/dbraw/zinc/94/28/64/1384942864.db2.gz SPARSDNWYIKYBX-FHLIZLRMSA-N 1 0 335.423 3.034 20 5 EGBDRO Cc1cccc(C(=O)NCCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1C ZINC001175065652 1385188683 /nfs/dbraw/zinc/18/86/83/1385188683.db2.gz YONQUOYBSDNAQB-UHFFFAOYSA-N 1 0 341.411 3.121 20 5 EGBDRO CC[NH+](CC)C1CCN(Cn2nc(C)c3cc([N+](=O)[O-])ccc32)CC1 ZINC001319187890 1385998407 /nfs/dbraw/zinc/99/84/07/1385998407.db2.gz WUOROWZVLSTGLU-UHFFFAOYSA-N 1 0 345.447 3.017 20 5 EGBDRO O=C1[C@H]([N@@H+]2CC[C@@H]3CCCC[C@@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC001319293047 1386047222 /nfs/dbraw/zinc/04/72/22/1386047222.db2.gz VEBXECJZWRYVQQ-HDMKZQKVSA-N 1 0 343.427 3.212 20 5 EGBDRO CC[NH+](CC)C1CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC001319591762 1386194345 /nfs/dbraw/zinc/19/43/45/1386194345.db2.gz ROKASWYKIBHZHG-UHFFFAOYSA-N 1 0 344.415 3.023 20 5 EGBDRO CC(C)(C)Oc1cc(N2CCC[N@@H+]3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC001320359156 1386586755 /nfs/dbraw/zinc/58/67/55/1386586755.db2.gz IMZSUOBQEHWLKI-HNNXBMFYSA-N 1 0 333.432 3.447 20 5 EGBDRO C[C@H](O)CC(=O)Nc1cc2oc3cc(=[NH2+])ccc-3nc2c2ccccc12 ZINC001181353191 1386980790 /nfs/dbraw/zinc/98/07/90/1386980790.db2.gz LXARDSJCSQWIKG-NSHDSACASA-N 1 0 347.374 3.275 20 5 EGBDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1NC ZINC001322223071 1387108325 /nfs/dbraw/zinc/10/83/25/1387108325.db2.gz RQMMYFBCIHCDLS-HNNXBMFYSA-N 1 0 348.447 3.021 20 5 EGBDRO Cc1cncc([N+](=O)[O-])c1NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC001322404617 1387180301 /nfs/dbraw/zinc/18/03/01/1387180301.db2.gz FVDROMIAOQSGGF-UHFFFAOYSA-N 1 0 340.427 3.318 20 5 EGBDRO CC(C)[NH2+][C@@H]1CCCN(c2ncnc3c(Cl)cc([N+](=O)[O-])cc32)C1 ZINC001329977546 1389278169 /nfs/dbraw/zinc/27/81/69/1389278169.db2.gz VRMZCBDZHILPJQ-LLVKDONJSA-N 1 0 349.822 3.158 20 5 EGBDRO CCC[C@@H](CC)C(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001338334360 1389642293 /nfs/dbraw/zinc/64/22/93/1389642293.db2.gz DCGHHZBEFYJHTC-CQSZACIVSA-N 1 0 348.447 3.111 20 5 EGBDRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1c1ccnc2c1cccc2[N+](=O)[O-] ZINC001331653698 1389848958 /nfs/dbraw/zinc/84/89/58/1389848958.db2.gz TUWGPQNJSDKISN-CQSZACIVSA-N 1 0 349.394 3.253 20 5 EGBDRO Nc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc(C[NH+]2CCCC2)c1 ZINC001341961819 1390554912 /nfs/dbraw/zinc/55/49/12/1390554912.db2.gz DVHHODMZRKJNSB-UHFFFAOYSA-N 1 0 340.383 3.025 20 5 EGBDRO COC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001335101521 1390642877 /nfs/dbraw/zinc/64/28/77/1390642877.db2.gz JMJFLOYWDCILGH-SKDRFNHKSA-N 1 0 346.305 3.045 20 5 EGBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC001342727684 1390646149 /nfs/dbraw/zinc/64/61/49/1390646149.db2.gz ICOYWSGXPLCMCC-KRWDZBQOSA-N 1 0 349.456 3.065 20 5 EGBDRO CC(C)(c1nc([C@H]2C[NH+]3CCC2CC3)no1)c1ccccc1[N+](=O)[O-] ZINC001343769910 1390735947 /nfs/dbraw/zinc/73/59/47/1390735947.db2.gz JYWAGQHQDOCXSA-ZDUSSCGKSA-N 1 0 342.399 3.113 20 5 EGBDRO Cc1nc(NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC001344114098 1390756605 /nfs/dbraw/zinc/75/66/05/1390756605.db2.gz VTGKCLGKRSJFHI-INIZCTEOSA-N 1 0 341.415 3.017 20 5 EGBDRO COc1cc(NC2CCN(c3cc[nH+]cc3)CC2)ccc1[N+](=O)[O-] ZINC001354412522 1392142892 /nfs/dbraw/zinc/14/28/92/1392142892.db2.gz UGPYBZNDMZFRID-UHFFFAOYSA-N 1 0 328.372 3.079 20 5 EGBDRO C[N@H+](CCCNC(=O)CC1CC(C)(C)C1)Cc1ccc([N+](=O)[O-])cc1 ZINC001752046359 1440135541 /nfs/dbraw/zinc/13/55/41/1440135541.db2.gz NBBJNPCAVKJMPW-UHFFFAOYSA-N 1 0 347.459 3.359 20 5 EGBDRO CCN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)C(C)=C1CCC1 ZINC001754043714 1440534951 /nfs/dbraw/zinc/53/49/51/1440534951.db2.gz ADMKKNHORFECPM-UHFFFAOYSA-N 1 0 331.416 3.033 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)nc(N2CCCC[C@@H]2CC[NH+]2CCCC2)c1 ZINC001165045983 721965326 /nfs/dbraw/zinc/96/53/26/721965326.db2.gz FSIPORAJOPTAEZ-CYBMUJFWSA-N 1 0 338.839 3.488 20 5 EGBDRO NC(=O)c1ccc(C[N@@H+]2CCC[C@H]2C2CCCCC2)c([N+](=O)[O-])c1 ZINC000053211797 214169897 /nfs/dbraw/zinc/16/98/97/214169897.db2.gz WAJGYQMHMIYJKL-INIZCTEOSA-N 1 0 331.416 3.238 20 5 EGBDRO Cc1ncc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)s1 ZINC000174246364 231158361 /nfs/dbraw/zinc/15/83/61/231158361.db2.gz XCEBBKDLMSQMHM-UHFFFAOYSA-N 1 0 333.413 3.403 20 5 EGBDRO CCc1ccc(C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000174335779 529600066 /nfs/dbraw/zinc/60/00/66/529600066.db2.gz WLWABGNJNGAUPO-HNNXBMFYSA-N 1 0 345.443 3.105 20 5 EGBDRO C[N@H+](CCC1CCOCC1)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000129698130 529878668 /nfs/dbraw/zinc/87/86/68/529878668.db2.gz GCZVFQCBGFTVLL-UHFFFAOYSA-N 1 0 344.358 3.445 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)N2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000178691139 232381228 /nfs/dbraw/zinc/38/12/28/232381228.db2.gz WRRLHLAZUCZUQK-HUUCEWRRSA-N 1 0 333.432 3.201 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)N(C)c2ccccc2)cc1[N+](=O)[O-] ZINC000181807681 234330419 /nfs/dbraw/zinc/33/04/19/234330419.db2.gz AAMUZCMKJVRRBW-CQSZACIVSA-N 1 0 327.384 3.217 20 5 EGBDRO C[C@](O)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)c1ccc(F)cc1 ZINC000184050440 235292895 /nfs/dbraw/zinc/29/28/95/235292895.db2.gz LBNHJIQGOFMELF-INIZCTEOSA-N 1 0 338.766 3.385 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]CCC(=O)N2CCCCCC2)cc1[N+](=O)[O-] ZINC000129065858 223017081 /nfs/dbraw/zinc/01/70/81/223017081.db2.gz GJBRUAFCBGPAEE-HNNXBMFYSA-N 1 0 333.432 3.347 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000072693633 216294973 /nfs/dbraw/zinc/29/49/73/216294973.db2.gz HZAJOFZFEVLSTA-CJNGLKHVSA-N 1 0 347.415 3.197 20 5 EGBDRO Cc1c([C@H](C)NC2CC[NH+](C[C@H]3CCOC3)CC2)cccc1[N+](=O)[O-] ZINC000132961895 223377010 /nfs/dbraw/zinc/37/70/10/223377010.db2.gz SHFABLLCWMPKEU-JKSUJKDBSA-N 1 0 347.459 3.055 20 5 EGBDRO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000359056094 284055290 /nfs/dbraw/zinc/05/52/90/284055290.db2.gz NFOUONNLKDUASL-CYBMUJFWSA-N 1 0 343.383 3.088 20 5 EGBDRO Cc1cccc(C(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000110348627 220031733 /nfs/dbraw/zinc/03/17/33/220031733.db2.gz VKCWMPONQCOKCX-HNNXBMFYSA-N 1 0 341.411 3.154 20 5 EGBDRO Cc1nn(C)c(NCC(C)(C)[NH2+][C@H](C)c2ccccc2)c1[N+](=O)[O-] ZINC000265097775 247199487 /nfs/dbraw/zinc/19/94/87/247199487.db2.gz CRKUWDIHCPMSLD-GFCCVEGCSA-N 1 0 331.420 3.178 20 5 EGBDRO CCN(CCC[NH+](CC)CC)C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000351788641 284589733 /nfs/dbraw/zinc/58/97/33/284589733.db2.gz JGQIUBACMFYZNX-UHFFFAOYSA-N 1 0 341.839 3.442 20 5 EGBDRO Cc1cc([C@](C)(O)C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])c(C)o1 ZINC000266185926 248156297 /nfs/dbraw/zinc/15/62/97/248156297.db2.gz WXIXQZWYRQXYAZ-JHTBKMLMSA-N 1 0 330.384 3.315 20 5 EGBDRO CCC[C@@H]([NH2+]CCc1cccc(C(N)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000089545157 217811019 /nfs/dbraw/zinc/81/10/19/217811019.db2.gz BRYBUJVWAXPNDJ-GOSISDBHSA-N 1 0 341.411 3.367 20 5 EGBDRO CCC(CC)[C@@H](CNc1ccc(C(N)=O)cc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000012522276 211397588 /nfs/dbraw/zinc/39/75/88/211397588.db2.gz GCPFWRPVZMVGNI-QGZVFWFLSA-N 1 0 348.447 3.006 20 5 EGBDRO COc1ccc(COCC[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000092855764 218177134 /nfs/dbraw/zinc/17/71/34/218177134.db2.gz AYAOTKRBYGGQCW-AWEZNQCLSA-N 1 0 330.384 3.471 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000267415754 251038879 /nfs/dbraw/zinc/03/88/79/251038879.db2.gz JHPVQPZVHDYPDM-ZDUSSCGKSA-N 1 0 330.388 3.096 20 5 EGBDRO C[C@H]([NH2+]Cc1cccc(C(=O)N(C)C)c1)c1ccc([N+](=O)[O-])cc1 ZINC000267463691 251079509 /nfs/dbraw/zinc/07/95/09/251079509.db2.gz VWZUXZWNQDMTQW-ZDUSSCGKSA-N 1 0 327.384 3.147 20 5 EGBDRO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCC[C@@H]2C2CCOCC2)c(F)c1 ZINC000351729909 285093202 /nfs/dbraw/zinc/09/32/02/285093202.db2.gz JAJWNYDGTAVLEF-MRXNPFEDSA-N 1 0 326.343 3.264 20 5 EGBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)C1 ZINC000097380036 219020784 /nfs/dbraw/zinc/02/07/84/219020784.db2.gz IIOZEPUHXJEXCT-CQSZACIVSA-N 1 0 334.420 3.160 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCCC[C@H]3CCO)o2)c1 ZINC000112598933 220352638 /nfs/dbraw/zinc/35/26/38/220352638.db2.gz IFOOGZLOGGMOEU-HNNXBMFYSA-N 1 0 345.399 3.029 20 5 EGBDRO Cc1c(C[N@@H+]2CCC[C@@H](CNC(=O)C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000112700708 220377604 /nfs/dbraw/zinc/37/76/04/220377604.db2.gz QGQUWGKEBDQQRW-HNNXBMFYSA-N 1 0 347.459 3.278 20 5 EGBDRO C[C@@H]([NH2+][C@H]1CCN(c2ccccc2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000178654749 533545714 /nfs/dbraw/zinc/54/57/14/533545714.db2.gz CWQNMLOTSIUDTJ-DYVFJYSZSA-N 1 0 325.368 3.051 20 5 EGBDRO COc1ccc(-c2ccc(C[NH2+]C[C@@H]3CCCOC3)o2)c([N+](=O)[O-])c1 ZINC000237429287 141001973 /nfs/dbraw/zinc/00/19/73/141001973.db2.gz OIRPGTSGLQAFCM-ZDUSSCGKSA-N 1 0 346.383 3.380 20 5 EGBDRO Cc1ccc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1[N+](=O)[O-] ZINC000246799702 141034907 /nfs/dbraw/zinc/03/49/07/141034907.db2.gz QSHAKTOSSYRQOZ-WMZOPIPTSA-N 1 0 329.444 3.352 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCc1cc(C(F)(F)F)ccn1 ZINC000339481369 141121047 /nfs/dbraw/zinc/12/10/47/141121047.db2.gz CRCIDGHBIPCLGU-UHFFFAOYSA-N 1 0 325.290 3.341 20 5 EGBDRO CC(C)(C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1)c1ccccc1[N+](=O)[O-] ZINC000350681068 141259943 /nfs/dbraw/zinc/25/99/43/141259943.db2.gz HKYVWLYGNGVUBQ-HNNXBMFYSA-N 1 0 345.443 3.006 20 5 EGBDRO COc1cc(C[N@H+](C)CCOc2ccccc2[N+](=O)[O-])cc(OC)c1 ZINC000353456755 141300234 /nfs/dbraw/zinc/30/02/34/141300234.db2.gz WZMVCVOTADUIFR-UHFFFAOYSA-N 1 0 346.383 3.123 20 5 EGBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000353468935 141303577 /nfs/dbraw/zinc/30/35/77/141303577.db2.gz ASSXXLCKJRAYNC-KGLIPLIRSA-N 1 0 333.432 3.273 20 5 EGBDRO COc1cc(NCC(C)(C)C[NH+]2CCCC2)c(F)cc1[N+](=O)[O-] ZINC000357953590 141366806 /nfs/dbraw/zinc/36/68/06/141366806.db2.gz CNHOCCIZOMSPBD-UHFFFAOYSA-N 1 0 325.384 3.276 20 5 EGBDRO C[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000357977101 141372780 /nfs/dbraw/zinc/37/27/80/141372780.db2.gz AHKFZYNMWGXGBX-STQMWFEESA-N 1 0 349.406 3.117 20 5 EGBDRO CC[C@]1(C)CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000173777458 144048613 /nfs/dbraw/zinc/04/86/13/144048613.db2.gz TWRCEGWNEIANKQ-GOSISDBHSA-N 1 0 349.431 3.444 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC2(CCCC2)C1 ZINC000173828651 144049498 /nfs/dbraw/zinc/04/94/98/144049498.db2.gz SPESQJGDEFJXCF-UHFFFAOYSA-N 1 0 347.415 3.198 20 5 EGBDRO C[C@H]([NH3+])C1CCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 ZINC000178864981 144076858 /nfs/dbraw/zinc/07/68/58/144076858.db2.gz LXIXVAFOIBEVGY-LBPRGKRZSA-N 1 0 333.432 3.092 20 5 EGBDRO CSc1cccc(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000188173480 144169823 /nfs/dbraw/zinc/16/98/23/144169823.db2.gz JLVVROCPPYEGPV-NSHDSACASA-N 1 0 339.461 3.023 20 5 EGBDRO O=[N+]([O-])c1ccccc1OCC[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000192362797 144173668 /nfs/dbraw/zinc/17/36/68/144173668.db2.gz PACMALPKAUNPRB-OAHLLOKOSA-N 1 0 328.368 3.346 20 5 EGBDRO C[C@H]1C[C@H](NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC[N@@H+]1C ZINC000344691232 144210607 /nfs/dbraw/zinc/21/06/07/144210607.db2.gz YFUCSSHKSGZAQT-DZGCQCFKSA-N 1 0 329.400 3.427 20 5 EGBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](C)C2(CCC2)C1 ZINC000357025918 144326284 /nfs/dbraw/zinc/32/62/84/144326284.db2.gz QJCXZTFYEVHZDM-KGLIPLIRSA-N 1 0 331.416 3.434 20 5 EGBDRO COC1CC[NH+](C2(CNc3ccc([N+](=O)[O-])cc3)CCCC2)CC1 ZINC000341092216 155152288 /nfs/dbraw/zinc/15/22/88/155152288.db2.gz CQTOOQMCHGEARX-UHFFFAOYSA-N 1 0 333.432 3.430 20 5 EGBDRO CCO[C@@H]1C[C@@H](O)C12CC[NH+]([C@H](C)c1cc([N+](=O)[O-])ccc1C)CC2 ZINC000305830275 286296411 /nfs/dbraw/zinc/29/64/11/286296411.db2.gz NWKKZMORXLJQGD-ZTFGCOKTSA-N 1 0 348.443 3.216 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CCCc3ccccc3)C2)nc1 ZINC000118866921 152158595 /nfs/dbraw/zinc/15/85/95/152158595.db2.gz URKUIMBDZFQOLJ-INIZCTEOSA-N 1 0 326.400 3.109 20 5 EGBDRO CC(C)n1cnnc1[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000118860385 152159295 /nfs/dbraw/zinc/15/92/95/152159295.db2.gz DMBKINDMTDDZJF-OAHLLOKOSA-N 1 0 329.404 3.147 20 5 EGBDRO CC(C)c1ccc(C(=O)NC2CC[NH+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000188926858 153041959 /nfs/dbraw/zinc/04/19/59/153041959.db2.gz GVBAMLZEDKELRG-UHFFFAOYSA-N 1 0 333.432 3.321 20 5 EGBDRO O=[N+]([O-])c1ccccc1CNC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192920340 153266769 /nfs/dbraw/zinc/26/67/69/153266769.db2.gz FOZBDSFRPGXFKK-QGZVFWFLSA-N 1 0 325.412 3.207 20 5 EGBDRO CCn1nc(C)c([N+](=O)[O-])c1NCc1ccccc1C[NH+]1CCCC1 ZINC000195339425 153396668 /nfs/dbraw/zinc/39/66/68/153396668.db2.gz YWNBOOOBPPABNY-UHFFFAOYSA-N 1 0 343.431 3.328 20 5 EGBDRO C[NH+](C)CCN(Cc1csc([N+](=O)[O-])c1)Cc1ccccc1F ZINC000348906015 156284239 /nfs/dbraw/zinc/28/42/39/156284239.db2.gz SMIOFHWTKAIIJK-UHFFFAOYSA-N 1 0 337.420 3.359 20 5 EGBDRO Cc1ccc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1F ZINC000093534839 162015524 /nfs/dbraw/zinc/01/55/24/162015524.db2.gz MGMDGRSYVNJOPR-CQSZACIVSA-N 1 0 330.363 3.124 20 5 EGBDRO CC[C@@H](C)[C@@](C)(O)C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000112380187 162173845 /nfs/dbraw/zinc/17/38/45/162173845.db2.gz UCENCFKNLNNIOW-BMIGLBTASA-N 1 0 332.347 3.083 20 5 EGBDRO CC[C@H]([NH2+]CCC(=O)NCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000129292514 162352413 /nfs/dbraw/zinc/35/24/13/162352413.db2.gz DEXDMOAPPKNULN-SFHVURJKSA-N 1 0 341.411 3.342 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2OCCO)cc1[N+](=O)[O-] ZINC000305102015 163073427 /nfs/dbraw/zinc/07/34/27/163073427.db2.gz AGPICFFHZXUQBH-CQSZACIVSA-N 1 0 330.384 3.125 20 5 EGBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000346128040 164344450 /nfs/dbraw/zinc/34/44/50/164344450.db2.gz ZWIJQOMZZHULIL-CQSZACIVSA-N 1 0 339.823 3.243 20 5 EGBDRO CCCN(CC[NH+](CC)CC)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000347244997 164466641 /nfs/dbraw/zinc/46/66/41/164466641.db2.gz XITFXRPQSYLHHA-UHFFFAOYSA-N 1 0 340.399 3.320 20 5 EGBDRO COc1ccccc1[C@H]1CC[C@@H](C)C[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000352249938 165309042 /nfs/dbraw/zinc/30/90/42/165309042.db2.gz AVULQOUKUAFXOZ-RHSMWYFYSA-N 1 0 344.415 3.273 20 5 EGBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@]2(CO)Cc2ccccc2)c(F)c1 ZINC000355335212 166167942 /nfs/dbraw/zinc/16/79/42/166167942.db2.gz ASOPLXPBMZQSQK-LJQANCHMSA-N 1 0 344.386 3.304 20 5 EGBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)C[NH+](C)C ZINC000355708154 166286956 /nfs/dbraw/zinc/28/69/56/166286956.db2.gz YKLSTDRQVIEXMO-LBPRGKRZSA-N 1 0 339.461 3.023 20 5 EGBDRO CCc1ccc(C(=O)N(C)CC[NH+](C(C)C)C(C)C)cc1[N+](=O)[O-] ZINC000355824932 166321269 /nfs/dbraw/zinc/32/12/69/166321269.db2.gz AZWLNPBYJWJASK-UHFFFAOYSA-N 1 0 335.448 3.348 20 5 EGBDRO Cc1c([C@H](C)[NH2+]CC(=O)N2Cc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000359058582 167053354 /nfs/dbraw/zinc/05/33/54/167053354.db2.gz VFAQIXYBPBMPIZ-AWEZNQCLSA-N 1 0 339.395 3.096 20 5 EGBDRO CCOc1ccc(NC(=O)C[N@@H+]2CCCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000360615239 167369515 /nfs/dbraw/zinc/36/95/15/167369515.db2.gz WSMZIQZNKLNZKI-CYBMUJFWSA-N 1 0 335.404 3.054 20 5 EGBDRO COCC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC)C[C@@H]1CC=CCC1 ZINC000362239663 167708302 /nfs/dbraw/zinc/70/83/02/167708302.db2.gz UYCIANXUTHMCRV-OAHLLOKOSA-N 1 0 334.416 3.408 20 5 EGBDRO CC(C)CCn1cccc1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365992937 168068659 /nfs/dbraw/zinc/06/86/59/168068659.db2.gz GSBCWPZUJFRCJX-UHFFFAOYSA-N 1 0 345.447 3.476 20 5 EGBDRO CC(C)(C)c1ncc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)s1 ZINC000366043938 168075386 /nfs/dbraw/zinc/07/53/86/168075386.db2.gz YHDOWBWYCYQBCA-UHFFFAOYSA-N 1 0 349.460 3.382 20 5 EGBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C/C=C/c3ccc(F)c(F)c3)CC2)n1 ZINC000368038050 168300952 /nfs/dbraw/zinc/30/09/52/168300952.db2.gz OMSRFVSTLACHEW-OWOJBTEDSA-N 1 0 348.353 3.420 20 5 EGBDRO Cc1c(NC(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)cccc1[N+](=O)[O-] ZINC000164610720 226087651 /nfs/dbraw/zinc/08/76/51/226087651.db2.gz CWJSAJJMTSMMNA-AWEZNQCLSA-N 1 0 334.420 3.003 20 5 EGBDRO CCc1ccc(C(=O)NCc2ccccc2C[NH+](C)C)cc1[N+](=O)[O-] ZINC000174016474 265018120 /nfs/dbraw/zinc/01/81/20/265018120.db2.gz SUYORMVEYXZLGZ-UHFFFAOYSA-N 1 0 341.411 3.149 20 5 EGBDRO CC[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000174835926 265075207 /nfs/dbraw/zinc/07/52/07/265075207.db2.gz GXLFGMGVPGPULG-ROUUACIJSA-N 1 0 328.416 3.450 20 5 EGBDRO COC(=O)c1oc(CN(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1C ZINC000179239557 265369968 /nfs/dbraw/zinc/36/99/68/265369968.db2.gz MSVYVHDPFYCHPQ-UHFFFAOYSA-N 1 0 344.367 3.447 20 5 EGBDRO CC[C@@H](CO)[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000237005496 266221385 /nfs/dbraw/zinc/22/13/85/266221385.db2.gz YYYSYEHXWAEOKW-AWEZNQCLSA-N 1 0 334.347 3.387 20 5 EGBDRO C[C@H]1CCCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)[C@H]1C[NH3+] ZINC000237713806 266241329 /nfs/dbraw/zinc/24/13/29/266241329.db2.gz USEFNGQRGZVYRV-LRDDRELGSA-N 1 0 333.432 3.092 20 5 EGBDRO COc1ccc(C[N@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1C ZINC000269662233 266336115 /nfs/dbraw/zinc/33/61/15/266336115.db2.gz QUPFRNLUHPHPAI-QGZVFWFLSA-N 1 0 330.384 3.077 20 5 EGBDRO Cc1ccc(C)n1C1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000269656936 266336583 /nfs/dbraw/zinc/33/65/83/266336583.db2.gz OURJGLQPWXDIBO-LJQANCHMSA-N 1 0 343.427 3.384 20 5 EGBDRO CC[C@H](CCO)C[NH2+][C@@H](CC)CSc1ccccc1[N+](=O)[O-] ZINC000271071831 266599542 /nfs/dbraw/zinc/59/95/42/266599542.db2.gz FKHSQNSKLUHRKR-KGLIPLIRSA-N 1 0 326.462 3.464 20 5 EGBDRO C[C@H](C[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1)NC(=O)OC(C)(C)C ZINC000271421628 266658612 /nfs/dbraw/zinc/65/86/12/266658612.db2.gz BUSOKKZCEVVITE-CHWSQXEVSA-N 1 0 337.420 3.376 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@@H](O)CCc1ccccc1 ZINC000273084091 266974005 /nfs/dbraw/zinc/97/40/05/266974005.db2.gz JPLYEQJSIRSZHU-OPUMOTSWSA-N 1 0 326.396 3.191 20 5 EGBDRO COc1cc(N2CCC(Oc3ccncc3C)CC2)ccc1[N+](=O)[O-] ZINC000278525984 268032384 /nfs/dbraw/zinc/03/23/84/268032384.db2.gz SVFFVCSUFFBVQG-UHFFFAOYSA-N 1 0 343.383 3.355 20 5 EGBDRO C[C@@H]1CC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC12CCC2 ZINC000357028333 274303604 /nfs/dbraw/zinc/30/36/04/274303604.db2.gz UNIMAVZMDIDDFU-RHSMWYFYSA-N 1 0 343.427 3.212 20 5 EGBDRO O=[N+]([O-])c1ccn(CC[N@H+]2Cc3ccccc3[C@@H](c3ccccc3)C2)n1 ZINC000176202770 275040454 /nfs/dbraw/zinc/04/04/54/275040454.db2.gz UUPRNJIHBMSRKC-LJQANCHMSA-N 1 0 348.406 3.439 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+]3CCCC[C@H]23)c(Br)c1 ZINC000043596796 275129342 /nfs/dbraw/zinc/12/93/42/275129342.db2.gz YPEQVIPLUQNWJV-UONOGXRCSA-N 1 0 340.221 3.396 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c(Br)c1 ZINC000043596795 275129377 /nfs/dbraw/zinc/12/93/77/275129377.db2.gz YPEQVIPLUQNWJV-ZIAGYGMSSA-N 1 0 340.221 3.396 20 5 EGBDRO C[C@@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CN1C1CC1 ZINC000278686557 275265601 /nfs/dbraw/zinc/26/56/01/275265601.db2.gz IMERNNJLMZIOBQ-MFKMUULPSA-N 1 0 343.349 3.328 20 5 EGBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1ccc([N+](=O)[O-])c2cnccc21 ZINC000286255863 275970601 /nfs/dbraw/zinc/97/06/01/275970601.db2.gz GHJNTFXQGWNDGP-ZIAGYGMSSA-N 1 0 326.400 3.206 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](c2ccncc2)C1 ZINC000289302694 276318600 /nfs/dbraw/zinc/31/86/00/276318600.db2.gz IJXKOEVZHHTWHL-HNNXBMFYSA-N 1 0 327.384 3.378 20 5 EGBDRO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)[C@H](C)C(C)C ZINC000118833063 276342318 /nfs/dbraw/zinc/34/23/18/276342318.db2.gz RLUNVCJERJQWDP-CYBMUJFWSA-N 1 0 337.420 3.298 20 5 EGBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccc(N2CCCC2)nc1 ZINC000289644321 276371300 /nfs/dbraw/zinc/37/13/00/276371300.db2.gz XRVJLCAZBJZIPG-UHFFFAOYSA-N 1 0 340.427 3.265 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000289749285 276387992 /nfs/dbraw/zinc/38/79/92/276387992.db2.gz JVXQRXCCSYKVLS-UHFFFAOYSA-N 1 0 348.447 3.399 20 5 EGBDRO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1cccc(N2CCOCC2)c1 ZINC000358019169 279492613 /nfs/dbraw/zinc/49/26/13/279492613.db2.gz SACRSICNOGCWND-HNNXBMFYSA-N 1 0 341.411 3.282 20 5 EGBDRO C[C@H]1CN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C[C@H](C)[NH+]1C ZINC000338793284 279882370 /nfs/dbraw/zinc/88/23/70/279882370.db2.gz KEINWAPMDQTVDO-KBPBESRZSA-N 1 0 326.400 3.186 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]([NH3+])c2ccc(C(C)C)cc2)c1 ZINC000151968224 281008590 /nfs/dbraw/zinc/00/85/90/281008590.db2.gz BQDNUESHCXYROY-QGZVFWFLSA-N 1 0 341.411 3.456 20 5 EGBDRO C[N@H+](CCc1ccccc1)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000051998837 307331684 /nfs/dbraw/zinc/33/16/84/307331684.db2.gz ZCQVHMNAKKZPFK-UHFFFAOYSA-N 1 0 338.367 3.319 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(C(C)C)CC1 ZINC000072717878 307381649 /nfs/dbraw/zinc/38/16/49/307381649.db2.gz FFHKOCMIRRPMKZ-UHFFFAOYSA-N 1 0 349.431 3.300 20 5 EGBDRO COc1ccc([C@@H](CO)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000414189009 309065804 /nfs/dbraw/zinc/06/58/04/309065804.db2.gz QUOXKYFLHTYIAV-CZUORRHYSA-N 1 0 330.384 3.030 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](CO)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000414312658 309072276 /nfs/dbraw/zinc/07/22/76/309072276.db2.gz NXVLVOSWWHPYQX-CJNGLKHVSA-N 1 0 332.375 3.469 20 5 EGBDRO COCC1CCC([NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000414319851 309072712 /nfs/dbraw/zinc/07/27/12/309072712.db2.gz ZYGDMSJWYFEGQC-SSHXOBKSSA-N 1 0 336.436 3.070 20 5 EGBDRO CC(C)CN(CC[NH+](C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000170703883 307934407 /nfs/dbraw/zinc/93/44/07/307934407.db2.gz TXLVPSNVYMHNCF-UHFFFAOYSA-N 1 0 342.827 3.300 20 5 EGBDRO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C[C@H]1CCCOC1 ZINC000293005631 308089496 /nfs/dbraw/zinc/08/94/96/308089496.db2.gz HBWFKFWFSMISSL-LLVKDONJSA-N 1 0 332.322 3.472 20 5 EGBDRO CC(C)(CO)[C@H]([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1CC1 ZINC000293138533 308102931 /nfs/dbraw/zinc/10/29/31/308102931.db2.gz SRJGZLWBSAQQPJ-MRXNPFEDSA-N 1 0 345.399 3.137 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc3c(c2)NC(=O)CO3)cc1[N+](=O)[O-] ZINC000293523757 308138583 /nfs/dbraw/zinc/13/85/83/308138583.db2.gz DGCKLIGMLUHQNF-LBPRGKRZSA-N 1 0 341.367 3.085 20 5 EGBDRO C[C@H](C[C@@H](O)c1cccs1)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294814011 308260089 /nfs/dbraw/zinc/26/00/89/308260089.db2.gz PWSBIIIRRHATLA-UEKVPHQBSA-N 1 0 335.429 3.401 20 5 EGBDRO CSc1ccc([C@@H](CNc2ncc([N+](=O)[O-])c(C)n2)[NH+](C)C)cc1 ZINC000294833162 308262274 /nfs/dbraw/zinc/26/22/74/308262274.db2.gz AIAVIBOKCYTBRX-OAHLLOKOSA-N 1 0 347.444 3.130 20 5 EGBDRO Cn1cc(C[NH2+][C@@H]2C[C@H]2c2ccco2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000414564799 309089810 /nfs/dbraw/zinc/08/98/10/309089810.db2.gz DCLHDZJXUSCSON-HZPDHXFCSA-N 1 0 338.367 3.234 20 5 EGBDRO C[C@@H]1[C@@H](CO)CCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000414579770 309090368 /nfs/dbraw/zinc/09/03/68/309090368.db2.gz QAKQAHJRNWSLOO-UKRRQHHQSA-N 1 0 330.384 3.448 20 5 EGBDRO CC(C)(c1nc(C2([NH3+])CCCC2)no1)c1ccc([N+](=O)[O-])cc1F ZINC000414624870 309092293 /nfs/dbraw/zinc/09/22/93/309092293.db2.gz WGTWIJSQGGPOPT-UHFFFAOYSA-N 1 0 334.351 3.171 20 5 EGBDRO CCOc1cc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)ccc1[N+](=O)[O-] ZINC000295844698 308366281 /nfs/dbraw/zinc/36/62/81/308366281.db2.gz DHVXUWBOIGDVRA-XYPHTWIQSA-N 1 0 332.400 3.041 20 5 EGBDRO CC[C@H](C)[NH2+]Cc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000296102295 308393646 /nfs/dbraw/zinc/39/36/46/308393646.db2.gz UIIOBHUPDOMMHI-VIFPVBQESA-N 1 0 336.310 3.433 20 5 EGBDRO Cc1cc(Cl)c(C(=O)N[C@H](C)C[N@@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000296152491 308398746 /nfs/dbraw/zinc/39/87/46/308398746.db2.gz SJOPHPBOYHFXQS-LLVKDONJSA-N 1 0 327.812 3.015 20 5 EGBDRO C[C@H](NC(=O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000296669038 308453812 /nfs/dbraw/zinc/45/38/12/308453812.db2.gz GQIDACITZBPFES-KBPBESRZSA-N 1 0 327.384 3.123 20 5 EGBDRO C[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(F)cc1 ZINC000296787858 308467064 /nfs/dbraw/zinc/46/70/64/308467064.db2.gz SOOVMIACLQHXGV-STQMWFEESA-N 1 0 345.374 3.089 20 5 EGBDRO CC(C)(C)OC(=O)NCC1(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000298558976 308624580 /nfs/dbraw/zinc/62/45/80/308624580.db2.gz VSOFGVPQBBJPIY-UHFFFAOYSA-N 1 0 349.431 3.032 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CC[C@H]([NH+]3CCCC3)C2)c(Br)c1 ZINC000301431568 308700053 /nfs/dbraw/zinc/70/00/53/308700053.db2.gz VROJULUKKODEFP-LBPRGKRZSA-N 1 0 340.221 3.032 20 5 EGBDRO Cc1nc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)ccc1[N+](=O)[O-] ZINC000301638588 308708466 /nfs/dbraw/zinc/70/84/66/308708466.db2.gz LOYOQQGTHBTUCV-MRXNPFEDSA-N 1 0 332.448 3.391 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CC[NH2+]C[C@H]1c1ccccc1 ZINC000313345431 308765164 /nfs/dbraw/zinc/76/51/64/308765164.db2.gz BMIKXZDZNZPUCC-KRWDZBQOSA-N 1 0 331.803 3.395 20 5 EGBDRO COc1ccc(NC(=O)CC[NH+]2[C@@H](C)CCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000411284276 308933513 /nfs/dbraw/zinc/93/35/13/308933513.db2.gz XMQORENMCVXOSN-STQMWFEESA-N 1 0 335.404 3.195 20 5 EGBDRO CC(C)[N@@H+]1CCCC[C@H]1Cn1cc([N+](=O)[O-])c(=O)c2ccccc21 ZINC000413002497 309011626 /nfs/dbraw/zinc/01/16/26/309011626.db2.gz NSJBJGHOXLCWPU-AWEZNQCLSA-N 1 0 329.400 3.173 20 5 EGBDRO O=[N+]([O-])c1cnc(NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)c(F)c1 ZINC000413144543 309018027 /nfs/dbraw/zinc/01/80/27/309018027.db2.gz QESZCFSXLWZJLR-AWEZNQCLSA-N 1 0 330.363 3.205 20 5 EGBDRO [NH3+][C@@H](CNCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)C1CC1 ZINC000414891558 309107657 /nfs/dbraw/zinc/10/76/57/309107657.db2.gz OIWOKEYRTZPGLE-INIZCTEOSA-N 1 0 345.374 3.353 20 5 EGBDRO CC1(C)CCC[NH2+][C@@H]1CNCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414931307 309109796 /nfs/dbraw/zinc/10/97/96/309109796.db2.gz REJWTIORQHRLNE-CQSZACIVSA-N 1 0 343.374 3.064 20 5 EGBDRO [NH3+]C[C@@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C1CCCC1 ZINC000415066326 309117987 /nfs/dbraw/zinc/11/79/87/309117987.db2.gz OJJWNRBDNSZZDH-QGZVFWFLSA-N 1 0 329.400 3.462 20 5 EGBDRO CCC(CC)(C[NH3+])NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000415436475 309133359 /nfs/dbraw/zinc/13/33/59/309133359.db2.gz JUIOLNZFIBCFPQ-UHFFFAOYSA-N 1 0 348.325 3.253 20 5 EGBDRO CC(=O)N1CCC(C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000417313649 309201322 /nfs/dbraw/zinc/20/13/22/309201322.db2.gz PQPLBJOLSZVXDS-LJQANCHMSA-N 1 0 345.443 3.210 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1CCN(CC(F)F)C1)CCCC2 ZINC000417380690 309203695 /nfs/dbraw/zinc/20/36/95/309203695.db2.gz HRIMLPBWRNRTPV-XJKSGUPXSA-N 1 0 339.386 3.291 20 5 EGBDRO Cc1ccc([C@@H](C)NC(=O)N[C@H](C[NH3+])C2CCCCC2)cc1[N+](=O)[O-] ZINC000417819719 309223893 /nfs/dbraw/zinc/22/38/93/309223893.db2.gz CACPEQIZFCPLRL-CZUORRHYSA-N 1 0 348.447 3.171 20 5 EGBDRO COC1CCC([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000419782728 309272063 /nfs/dbraw/zinc/27/20/63/309272063.db2.gz OYZOSFYOLPBNTC-UHFFFAOYSA-N 1 0 330.331 3.243 20 5 EGBDRO CC(C)NC(=O)c1ccc(NC2CCC([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000420622018 309290449 /nfs/dbraw/zinc/29/04/49/309290449.db2.gz DZNUZARAGZBYMH-UHFFFAOYSA-N 1 0 348.447 3.018 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](C2CCCC2)C1 ZINC000420957545 309304502 /nfs/dbraw/zinc/30/45/02/309304502.db2.gz AQKJCEBXGSMWPQ-AWEZNQCLSA-N 1 0 347.415 3.054 20 5 EGBDRO COC1([C@H](C)[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCOCC1 ZINC000421868096 309344374 /nfs/dbraw/zinc/34/43/74/309344374.db2.gz QFNOQYIYSQFNJD-SUMWQHHRSA-N 1 0 334.416 3.146 20 5 EGBDRO CCc1ccc([C@H](N[C@@H]2CCC[NH2+]C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000423196441 309390049 /nfs/dbraw/zinc/39/00/49/309390049.db2.gz VJDVCWMQZDJFML-RDTXWAMCSA-N 1 0 329.400 3.181 20 5 EGBDRO C[C@@H](N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000423423704 309399820 /nfs/dbraw/zinc/39/98/20/309399820.db2.gz DVNQWILHJKSXQG-XPZRHXQJSA-N 1 0 329.425 3.192 20 5 EGBDRO [NH3+]CCC[C@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000423973677 309423130 /nfs/dbraw/zinc/42/31/30/309423130.db2.gz RFSCKAGFMRUVPF-SFHVURJKSA-N 1 0 341.411 3.124 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@]2(CO)C[C@H]2c2ccc(F)cc2)c(F)c1 ZINC000428552494 309555013 /nfs/dbraw/zinc/55/50/13/309555013.db2.gz VLOFAHVATYWGNY-WMZOPIPTSA-N 1 0 348.349 3.129 20 5 EGBDRO CC[C@@H]1CCC[C@@H]1[NH2+]CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000429775414 309589693 /nfs/dbraw/zinc/58/96/93/309589693.db2.gz WYZBXAUUQLJBST-OCCSQVGLSA-N 1 0 335.404 3.100 20 5 EGBDRO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000430826721 309618673 /nfs/dbraw/zinc/61/86/73/309618673.db2.gz XCAXCGBXCUXCOT-RDJZCZTQSA-N 1 0 333.432 3.225 20 5 EGBDRO C[NH+](C)[C@H]1CCC[C@@H]1Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000439660327 309837754 /nfs/dbraw/zinc/83/77/54/309837754.db2.gz YENGHHKSKOAUDK-JQWIXIFHSA-N 1 0 328.210 3.252 20 5 EGBDRO CC(C)C[C@@H]1OCCC[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444680466 309925568 /nfs/dbraw/zinc/92/55/68/309925568.db2.gz PJFWAUKTFDMHED-ZBFHGGJFSA-N 1 0 332.404 3.154 20 5 EGBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@@H](CCCO)c3ccccc3)nc2c1 ZINC000444688748 309925836 /nfs/dbraw/zinc/92/58/36/309925836.db2.gz KVAGRFHGJAJLOG-HNNXBMFYSA-N 1 0 340.383 3.075 20 5 EGBDRO Cc1ccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1S(C)(=O)=O ZINC000447555798 309981966 /nfs/dbraw/zinc/98/19/66/309981966.db2.gz DZXRTSUBRRIAHL-ZDUSSCGKSA-N 1 0 348.424 3.158 20 5 EGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000449075612 310035141 /nfs/dbraw/zinc/03/51/41/310035141.db2.gz NRSAITLEOUAYOB-OAHLLOKOSA-N 1 0 340.427 3.311 20 5 EGBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H]2CCC[C@@H]2Cc2ccc(Cl)cc2)c1 ZINC000449196695 310043764 /nfs/dbraw/zinc/04/37/64/310043764.db2.gz SLWXQGTYSATZBJ-RHSMWYFYSA-N 1 0 348.834 3.446 20 5 EGBDRO COc1ccc([C@@H](CCO)[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000449200412 310044123 /nfs/dbraw/zinc/04/41/23/310044123.db2.gz DUPKGJOJXWBLBU-KBXCAEBGSA-N 1 0 344.411 3.248 20 5 EGBDRO COc1cc(C[NH2+]C2CC(C)(F)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000449378510 310057451 /nfs/dbraw/zinc/05/74/51/310057451.db2.gz XEDPXYQREWXNGW-UHFFFAOYSA-N 1 0 348.321 3.228 20 5 EGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCO[C@@H](c2ccncc2)C1 ZINC000449548397 310070542 /nfs/dbraw/zinc/07/05/42/310070542.db2.gz MZWAHODMODRQPN-DKSSEZFCSA-N 1 0 341.411 3.431 20 5 EGBDRO CC(C)CCSc1ccc(C(=O)N[C@H](C)[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000449590658 310074242 /nfs/dbraw/zinc/07/42/42/310074242.db2.gz LMGDWHQZUSDKBD-NWDGAFQWSA-N 1 0 339.461 3.199 20 5 EGBDRO COc1ccc(-c2ccc(C[NH2+][C@@H]3CCC[C@@H]3CO)o2)c([N+](=O)[O-])c1 ZINC000449706695 310081854 /nfs/dbraw/zinc/08/18/54/310081854.db2.gz OFWJVYFJOYWAGY-MLGOLLRUSA-N 1 0 346.383 3.114 20 5 EGBDRO Cc1ccccc1[C@@H]([C@@H](C)Nc1ncc([N+](=O)[O-])c(C)n1)[NH+](C)C ZINC000450537346 310128776 /nfs/dbraw/zinc/12/87/76/310128776.db2.gz XADGBPOHCRLMNX-CZUORRHYSA-N 1 0 329.404 3.105 20 5 EGBDRO Cc1ccccc1CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000451169701 310163765 /nfs/dbraw/zinc/16/37/65/310163765.db2.gz NCYBASLNEQMSFE-HNNXBMFYSA-N 1 0 341.411 3.405 20 5 EGBDRO CC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451546423 310184922 /nfs/dbraw/zinc/18/49/22/310184922.db2.gz JGZGZMFHPOQFFH-OFQRWUPVSA-N 1 0 333.432 3.077 20 5 EGBDRO CC(C)N1CCC[C@@H]([N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1=O ZINC000451551785 310185667 /nfs/dbraw/zinc/18/56/67/310185667.db2.gz VIMFUKDBOLWAHD-FUHWJXTLSA-N 1 0 345.443 3.174 20 5 EGBDRO CO[C@H]1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1C ZINC000451557866 310186228 /nfs/dbraw/zinc/18/62/28/310186228.db2.gz FOJMFTNHSRCQGN-CJNGLKHVSA-N 1 0 345.399 3.149 20 5 EGBDRO CO[C@H]1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H]1C ZINC000451557865 310186267 /nfs/dbraw/zinc/18/62/67/310186267.db2.gz FOJMFTNHSRCQGN-BBRMVZONSA-N 1 0 345.399 3.149 20 5 EGBDRO CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452846639 310245173 /nfs/dbraw/zinc/24/51/73/310245173.db2.gz KHCKPCVBKFUSNG-AEFFLSMTSA-N 1 0 345.443 3.175 20 5 EGBDRO CC(C)(C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)c1ccccn1 ZINC000453298161 310269813 /nfs/dbraw/zinc/26/98/13/310269813.db2.gz WADFWZDRTJVGLM-GJZGRUSLSA-N 1 0 343.431 3.237 20 5 EGBDRO COCC1(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCCC1 ZINC000453382073 310273882 /nfs/dbraw/zinc/27/38/82/310273882.db2.gz LGVLSGURHWCZPB-GJZGRUSLSA-N 1 0 336.436 3.071 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@@H+](CC)C[C@H]1CC ZINC000455456311 310361451 /nfs/dbraw/zinc/36/14/51/310361451.db2.gz ADAILBVQPKVSJZ-CQSZACIVSA-N 1 0 334.420 3.105 20 5 EGBDRO Cc1cccc(CN(CC[NH+](C)C)c2ccc([N+](=O)[O-])c(C)n2)c1 ZINC000471752498 310745628 /nfs/dbraw/zinc/74/56/28/310745628.db2.gz ZFEVBWTUIROYCB-UHFFFAOYSA-N 1 0 328.416 3.175 20 5 EGBDRO Cn1nc(CC[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])c2ccccc21 ZINC000479423529 310874735 /nfs/dbraw/zinc/87/47/35/310874735.db2.gz PUMZCNHZEPGITK-VURMDHGXSA-N 1 0 336.395 3.327 20 5 EGBDRO C[C@H]1CC(C)(C)CC[C@H]1[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000481120138 310906743 /nfs/dbraw/zinc/90/67/43/310906743.db2.gz ZXQXCFNZINYDID-XJKSGUPXSA-N 1 0 345.443 3.288 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H]1CCCO[C@@H]1CC(C)C ZINC000481723415 310920147 /nfs/dbraw/zinc/92/01/47/310920147.db2.gz AZYKMDGOIMAPPY-GDBMZVCRSA-N 1 0 349.431 3.025 20 5 EGBDRO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])[C@H]1OC ZINC000482526541 310933718 /nfs/dbraw/zinc/93/37/18/310933718.db2.gz DKYLFVCOWQSWQN-OMVTVGPASA-N 1 0 348.443 3.088 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000486932997 311002501 /nfs/dbraw/zinc/00/25/01/311002501.db2.gz HPGKWFCUPWRNRT-HNNXBMFYSA-N 1 0 334.420 3.016 20 5 EGBDRO O=[N+]([O-])c1cc(C[NH2+]CCCCO)ccc1Oc1ccc(F)cc1 ZINC000487210807 311016050 /nfs/dbraw/zinc/01/60/50/311016050.db2.gz OEPNSHNIWZDGLU-UHFFFAOYSA-N 1 0 334.347 3.388 20 5 EGBDRO C[C@H]1CN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC[N@@H+](C2CCC2)C1 ZINC000488726210 311076519 /nfs/dbraw/zinc/07/65/19/311076519.db2.gz VIJFOIMGDYORPT-CQSZACIVSA-N 1 0 340.427 3.454 20 5 EGBDRO C[NH+](C)CCCC1CCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000492294560 311235026 /nfs/dbraw/zinc/23/50/26/311235026.db2.gz JDDIIHQNJBHVAY-CMDGGOBGSA-N 1 0 345.443 3.188 20 5 EGBDRO C[NH+](C)Cc1ccccc1NC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000492882992 311302730 /nfs/dbraw/zinc/30/27/30/311302730.db2.gz AKDJDIXVDANHED-CSKARUKUSA-N 1 0 343.358 3.447 20 5 EGBDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000518430469 312416545 /nfs/dbraw/zinc/41/65/45/312416545.db2.gz CSNITXITUFQIFV-ZIAGYGMSSA-N 1 0 348.447 3.473 20 5 EGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000521461220 312547389 /nfs/dbraw/zinc/54/73/89/312547389.db2.gz YYZUHNMSRDIPMC-CQSZACIVSA-N 1 0 343.349 3.198 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1cccc(C(=O)N(C)C)c1 ZINC000531941968 313733649 /nfs/dbraw/zinc/73/36/49/313733649.db2.gz BECZYMJSHPQNKR-CQSZACIVSA-N 1 0 341.411 3.456 20 5 EGBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H](CO)c2ccc(C(F)(F)F)cc2)c1 ZINC000535368553 314043024 /nfs/dbraw/zinc/04/30/24/314043024.db2.gz SSZLCCIXNMIZAS-HNNXBMFYSA-N 1 0 340.301 3.437 20 5 EGBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000536697833 314140259 /nfs/dbraw/zinc/14/02/59/314140259.db2.gz RRYJCBPKVOWXHL-YXMMZVCTSA-N 1 0 329.444 3.272 20 5 EGBDRO CC(C)[C@H]1C[C@H]([NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000537935570 314217523 /nfs/dbraw/zinc/21/75/23/314217523.db2.gz WENZSIFEYHRPFB-FRFSOERESA-N 1 0 349.431 3.105 20 5 EGBDRO C[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@H](CO)C(C)(C)C ZINC000549527128 315095377 /nfs/dbraw/zinc/09/53/77/315095377.db2.gz FQUCLDCCNSCICE-CYBMUJFWSA-N 1 0 334.338 3.452 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC(C)(C)[C@@H]2CCC[C@H]21 ZINC000550079879 315115558 /nfs/dbraw/zinc/11/55/58/315115558.db2.gz SQLZGGDBLPUNJE-GDBMZVCRSA-N 1 0 331.416 3.352 20 5 EGBDRO C[C@@H]1CCC[C@]1(O)C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000552406629 315218790 /nfs/dbraw/zinc/21/87/90/315218790.db2.gz HIPHQFLEYSVDOD-LFEHRJTNSA-N 1 0 332.444 3.447 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@H](CO)C1CCCC1 ZINC000554990952 315361178 /nfs/dbraw/zinc/36/11/78/315361178.db2.gz HDUCZKHIINKUSZ-RYQLBKOJSA-N 1 0 332.444 3.447 20 5 EGBDRO C[N@@H+]1CCC[C@@H](CN[C@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)C1 ZINC000563721558 316061217 /nfs/dbraw/zinc/06/12/17/316061217.db2.gz FVRCGCYCOZXFTC-SMDDNHRTSA-N 1 0 331.338 3.130 20 5 EGBDRO O=C(CC[NH2+]C[C@@H]1CCC[C@@H]1C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000564857888 316219736 /nfs/dbraw/zinc/21/97/36/316219736.db2.gz QMFXTMRLDGPGTM-LSDHHAIUSA-N 1 0 331.416 3.339 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000565510912 316332944 /nfs/dbraw/zinc/33/29/44/316332944.db2.gz KFTIOKSLCNCBRC-ZIAGYGMSSA-N 1 0 348.447 3.399 20 5 EGBDRO CC[NH2+]CCCN[C@@H](c1ccc(CC)o1)c1ccc([N+](=O)[O-])cc1 ZINC000566732068 316519794 /nfs/dbraw/zinc/51/97/94/316519794.db2.gz XENPEXHQLFSNLG-GOSISDBHSA-N 1 0 331.416 3.429 20 5 EGBDRO CCCN(CC[NH+]1CCCCCC1)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000567199073 316581453 /nfs/dbraw/zinc/58/14/53/316581453.db2.gz PBCHJSSFRMQYJJ-UHFFFAOYSA-N 1 0 347.459 3.252 20 5 EGBDRO Cc1c(F)cccc1NC(=O)CC[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000569111495 316867957 /nfs/dbraw/zinc/86/79/57/316867957.db2.gz RNBDYBXMJNNWLN-UHFFFAOYSA-N 1 0 345.374 3.203 20 5 EGBDRO COc1cc(F)c(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000569853458 316973767 /nfs/dbraw/zinc/97/37/67/316973767.db2.gz HQCHIAOBIXKEJM-UHFFFAOYSA-N 1 0 334.347 3.083 20 5 EGBDRO CC(C)(C)[C@H]1C[C@@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000570626050 317083303 /nfs/dbraw/zinc/08/33/03/317083303.db2.gz XLKJBCYAAWASRF-XJKSGUPXSA-N 1 0 349.431 3.107 20 5 EGBDRO COc1ccc(-c2ccc(CN3CC[C@@H]([NH3+])C[C@@H]3C)o2)c([N+](=O)[O-])c1 ZINC000571578019 317218977 /nfs/dbraw/zinc/21/89/77/317218977.db2.gz DCXXQXDGAUPFJW-QWHCGFSZSA-N 1 0 345.399 3.175 20 5 EGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000571819770 317252170 /nfs/dbraw/zinc/25/21/70/317252170.db2.gz JUYBJMNEKTYZSC-PVUWLOKVSA-N 1 0 334.441 3.226 20 5 EGBDRO COc1ccc(C[NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)c(OC)n1 ZINC000573291658 317463604 /nfs/dbraw/zinc/46/36/04/317463604.db2.gz YNGRWOWYDYPIKB-UKTHLTGXSA-N 1 0 343.383 3.200 20 5 EGBDRO C[NH+](C)C[C@H]1CCCCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000171510981 323238430 /nfs/dbraw/zinc/23/84/30/323238430.db2.gz NRHJYHGIEWGJRU-CQSZACIVSA-N 1 0 347.440 3.366 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000175269697 323317372 /nfs/dbraw/zinc/31/73/72/323317372.db2.gz DTEKVVRFZRERQP-INIZCTEOSA-N 1 0 347.459 3.301 20 5 EGBDRO CC[C@@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@H]1CCCO1 ZINC000182283090 323539764 /nfs/dbraw/zinc/53/97/64/323539764.db2.gz OZNSOTOAGYLCPR-HZPDHXFCSA-N 1 0 345.399 3.340 20 5 EGBDRO CN(C)[C@H](C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccccc1 ZINC000575136875 324425091 /nfs/dbraw/zinc/42/50/91/324425091.db2.gz MMGITLZNHMZWIX-PKOBYXMFSA-N 1 0 325.412 3.475 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H](CO)c1ccc(F)cc1 ZINC000579928114 325177917 /nfs/dbraw/zinc/17/79/17/325177917.db2.gz KBJNHZIPDPFVQP-HIFRSBDPSA-N 1 0 332.375 3.469 20 5 EGBDRO COc1ccc(C[N@@H+]2CC[C@H](Oc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000579953216 325182188 /nfs/dbraw/zinc/18/21/88/325182188.db2.gz KMFBHSILLGBRCF-INIZCTEOSA-N 1 0 328.368 3.257 20 5 EGBDRO C[C@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])[C@H](O)Cc1ccccc1 ZINC000583034514 325489989 /nfs/dbraw/zinc/48/99/89/325489989.db2.gz MQSMULKTRCQOCD-BOFPYLFWSA-N 1 0 326.396 3.164 20 5 EGBDRO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C12CCC2 ZINC000583805264 325552681 /nfs/dbraw/zinc/55/26/81/325552681.db2.gz HDTQBQDQBDKJFI-YHUYYLMFSA-N 1 0 348.447 3.212 20 5 EGBDRO Cn1cc(C[NH2+]Cc2ccccc2F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237934385 455235523 /nfs/dbraw/zinc/23/55/23/455235523.db2.gz NUNJMQGEUKHKBL-UHFFFAOYSA-N 1 0 340.358 3.424 20 5 EGBDRO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026298837 453795992 /nfs/dbraw/zinc/79/59/92/453795992.db2.gz MFJPCZVGEUCKKB-AWEZNQCLSA-N 1 0 337.383 3.369 20 5 EGBDRO CCc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])s2)[NH+](C)C)cc1 ZINC000027596591 453819380 /nfs/dbraw/zinc/81/93/80/453819380.db2.gz MQLGDJXGGDEOQB-CQSZACIVSA-N 1 0 347.440 3.251 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000066531775 453850764 /nfs/dbraw/zinc/85/07/64/453850764.db2.gz JPRVQSUSYPRURP-BETUJISGSA-N 1 0 335.404 3.195 20 5 EGBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)CCc1ccccc1 ZINC000053047874 453854130 /nfs/dbraw/zinc/85/41/30/453854130.db2.gz XHQJEIIUNYVKBZ-CQSZACIVSA-N 1 0 327.384 3.096 20 5 EGBDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000066726958 453868047 /nfs/dbraw/zinc/86/80/47/453868047.db2.gz SLXSGUYZHAYCMN-UHFFFAOYSA-N 1 0 347.440 3.380 20 5 EGBDRO Cc1cccc(C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000054287179 453921336 /nfs/dbraw/zinc/92/13/36/453921336.db2.gz NCLXAXABBRAFBH-ZDUSSCGKSA-N 1 0 333.432 3.144 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCSC(C)(C)C1 ZINC000083415192 453948278 /nfs/dbraw/zinc/94/82/78/453948278.db2.gz FFDQZOKHNFOXKY-UHFFFAOYSA-N 1 0 337.445 3.059 20 5 EGBDRO C[NH+](C)CCc1ccc(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])cc1 ZINC000076169608 453974350 /nfs/dbraw/zinc/97/43/50/453974350.db2.gz JTZDSFOCVVMCQP-FMIVXFBMSA-N 1 0 339.395 3.351 20 5 EGBDRO CCOc1ccc(C(=O)Nc2ccccc2C[NH+](C)C)cc1[N+](=O)[O-] ZINC000042752487 454023492 /nfs/dbraw/zinc/02/34/92/454023492.db2.gz NVQKHFRCJCSKJQ-UHFFFAOYSA-N 1 0 343.383 3.307 20 5 EGBDRO COc1ccc(NC(=O)CC[N@H+](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000055901922 454023913 /nfs/dbraw/zinc/02/39/13/454023913.db2.gz OAXUQJBPHOJLGX-UHFFFAOYSA-N 1 0 343.383 3.064 20 5 EGBDRO Cc1cccc([C@H]2CCC[N@@H+]2Cc2ccc(C(N)=O)cc2[N+](=O)[O-])c1 ZINC000055910392 454024793 /nfs/dbraw/zinc/02/47/93/454024793.db2.gz IFCIQLGMKTZLFD-QGZVFWFLSA-N 1 0 339.395 3.339 20 5 EGBDRO O=C(C[N@@H+]1CCC[C@H]1C1CCCC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000055927443 454026163 /nfs/dbraw/zinc/02/61/63/454026163.db2.gz IEPGHMKUZZBYDX-KRWDZBQOSA-N 1 0 343.427 3.139 20 5 EGBDRO Cc1ccc(C(=O)N2CC[NH+](CCC(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000056042766 454034587 /nfs/dbraw/zinc/03/45/87/454034587.db2.gz IRGYTDZONSIMIX-UHFFFAOYSA-N 1 0 333.432 3.097 20 5 EGBDRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000056196931 454043372 /nfs/dbraw/zinc/04/33/72/454043372.db2.gz PUORPZZSVQIOED-QWHCGFSZSA-N 1 0 343.383 3.281 20 5 EGBDRO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(Cl)cn1 ZINC000056196844 454043385 /nfs/dbraw/zinc/04/33/85/454043385.db2.gz NDCXYKJECVNTHJ-GHMZBOCLSA-N 1 0 348.790 3.321 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000043149759 454045327 /nfs/dbraw/zinc/04/53/27/454045327.db2.gz BVZQSQSZUVUIQY-UHFFFAOYSA-N 1 0 334.420 3.289 20 5 EGBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000043190744 454048343 /nfs/dbraw/zinc/04/83/43/454048343.db2.gz FFMOCAGONCWMIL-UHFFFAOYSA-N 1 0 348.447 3.001 20 5 EGBDRO Cc1ccc(NC(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000056520161 454063588 /nfs/dbraw/zinc/06/35/88/454063588.db2.gz XPQLBYOWDUCOBS-JSGCOSHPSA-N 1 0 334.420 3.145 20 5 EGBDRO Cc1cccc(C[NH+]2CCN(c3ccc(F)cc3[N+](=O)[O-])CC2)c1 ZINC000069448019 454107158 /nfs/dbraw/zinc/10/71/58/454107158.db2.gz ONRXZKWCWDPECG-UHFFFAOYSA-N 1 0 329.375 3.365 20 5 EGBDRO CCC[C@@H]([NH2+][C@@H](C)C(=O)N1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000089592559 454164960 /nfs/dbraw/zinc/16/49/60/454164960.db2.gz HPVWSYZMEJQVAK-WMLDXEAASA-N 1 0 333.432 3.427 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000094124938 454188187 /nfs/dbraw/zinc/18/81/87/454188187.db2.gz KLDAUTSSVHVJJS-MRXNPFEDSA-N 1 0 345.443 3.220 20 5 EGBDRO C[C@H]1CCN(c2ncccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000266192831 455425350 /nfs/dbraw/zinc/42/53/50/455425350.db2.gz GVMDHMYVLSHKRE-HNNXBMFYSA-N 1 0 326.400 3.091 20 5 EGBDRO Cc1cccc(C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000130764509 454216789 /nfs/dbraw/zinc/21/67/89/454216789.db2.gz KHJSPNUVNSTJAZ-INIZCTEOSA-N 1 0 345.374 3.075 20 5 EGBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)NCCc1cccs1 ZINC000071902523 454248894 /nfs/dbraw/zinc/24/88/94/454248894.db2.gz NJNFFEDDUDDCPF-QWHCGFSZSA-N 1 0 347.440 3.054 20 5 EGBDRO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)NCCc1cccs1 ZINC000071902521 454249174 /nfs/dbraw/zinc/24/91/74/454249174.db2.gz NJNFFEDDUDDCPF-STQMWFEESA-N 1 0 347.440 3.054 20 5 EGBDRO Cc1c(C[NH2+][C@@H](C)c2ccc3c(c2)NC(=O)CO3)cccc1[N+](=O)[O-] ZINC000095984468 454250805 /nfs/dbraw/zinc/25/08/05/454250805.db2.gz IMDOWEAFPLYADE-LBPRGKRZSA-N 1 0 341.367 3.085 20 5 EGBDRO CCC[N@H+](C)C[C@H]1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000078563636 454276293 /nfs/dbraw/zinc/27/62/93/454276293.db2.gz BRONDRGJLFUEKC-CQSZACIVSA-N 1 0 328.416 3.311 20 5 EGBDRO CC(C)NC(=O)CN(C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000120244297 454277112 /nfs/dbraw/zinc/27/71/12/454277112.db2.gz ICWFVZCDWPHVJI-UHFFFAOYSA-N 1 0 347.440 3.280 20 5 EGBDRO CCC[N@@H+](Cc1ccccc1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000060478989 454293775 /nfs/dbraw/zinc/29/37/75/454293775.db2.gz ZEBUEGYSDOELIT-GOSISDBHSA-N 1 0 344.411 3.247 20 5 EGBDRO COc1ccc(NC(=O)C[NH2+][C@H](C)c2ccccc2C)c([N+](=O)[O-])c1 ZINC000120510207 454313092 /nfs/dbraw/zinc/31/30/92/454313092.db2.gz WJODBJCNFXQZCN-CYBMUJFWSA-N 1 0 343.383 3.201 20 5 EGBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCCCC[C@@H]1c1ccccc1 ZINC000090518096 454315266 /nfs/dbraw/zinc/31/52/66/454315266.db2.gz VHFRQRWKEXJKBU-GOSISDBHSA-N 1 0 341.411 3.374 20 5 EGBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000047037794 454322682 /nfs/dbraw/zinc/32/26/82/454322682.db2.gz RFGIIFFTMWIOAQ-HZPDHXFCSA-N 1 0 347.459 3.012 20 5 EGBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCC[C@@H](C)C1 ZINC000047119439 454331844 /nfs/dbraw/zinc/33/18/44/454331844.db2.gz PHHLRLLIGIPHHZ-NEPJUHHUSA-N 1 0 339.823 3.098 20 5 EGBDRO Cc1cccc(C(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000047214237 454341224 /nfs/dbraw/zinc/34/12/24/454341224.db2.gz GPXOCGKDSJHWIS-HUUCEWRRSA-N 1 0 347.459 3.391 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000097164308 454419193 /nfs/dbraw/zinc/41/91/93/454419193.db2.gz KCAZYPINIBIJMS-HNNXBMFYSA-N 1 0 349.431 3.168 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000063507405 454419345 /nfs/dbraw/zinc/41/93/45/454419345.db2.gz LOJDLPZQHSLNPL-QGZVFWFLSA-N 1 0 342.399 3.397 20 5 EGBDRO C[C@H]([NH2+]C1CCN(c2ccccn2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000121348960 454424247 /nfs/dbraw/zinc/42/42/47/454424247.db2.gz AATRVLNQIUTLEY-AWEZNQCLSA-N 1 0 326.400 3.309 20 5 EGBDRO C[C@H]1CCCN(C(=O)C2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000048045866 454435942 /nfs/dbraw/zinc/43/59/42/454435942.db2.gz IRDQSONFOCBSLB-HNNXBMFYSA-N 1 0 345.443 3.065 20 5 EGBDRO CCC[NH+]1CCC(N(C)C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC000064310018 454472554 /nfs/dbraw/zinc/47/25/54/454472554.db2.gz SPSVJALXFBYISU-UHFFFAOYSA-N 1 0 344.415 3.023 20 5 EGBDRO COCc1ccc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000092047882 454509471 /nfs/dbraw/zinc/50/94/71/454509471.db2.gz XWTXTNADHWORHJ-UHFFFAOYSA-N 1 0 341.411 3.063 20 5 EGBDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000065029173 454524378 /nfs/dbraw/zinc/52/43/78/454524378.db2.gz CSNITXITUFQIFV-OKILXGFUSA-N 1 0 348.447 3.473 20 5 EGBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)CCOc1ccccc1F ZINC000065209085 454537900 /nfs/dbraw/zinc/53/79/00/454537900.db2.gz HRCUXFGGBCONMA-UHFFFAOYSA-N 1 0 334.347 3.124 20 5 EGBDRO CS[C@H]1CCCC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000134551642 454559452 /nfs/dbraw/zinc/55/94/52/454559452.db2.gz XNXPFMFQOSGPBY-DOMZBBRYSA-N 1 0 337.445 3.139 20 5 EGBDRO CS[C@@H]1CCCC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000134556854 454559815 /nfs/dbraw/zinc/55/98/15/454559815.db2.gz QOHWXBSETFKVFW-CQSZACIVSA-N 1 0 348.428 3.362 20 5 EGBDRO CC[C@H](CNc1ccc([N+](=O)[O-])c(OC(F)F)c1)[NH+]1CCCC1 ZINC000092607768 454593694 /nfs/dbraw/zinc/59/36/94/454593694.db2.gz RPDSETNNAXMPSU-GFCCVEGCSA-N 1 0 329.347 3.483 20 5 EGBDRO Cc1ccc(C[NH+]2CCC(OC[C@H]3CCCO3)CC2)cc1[N+](=O)[O-] ZINC000092661660 454605094 /nfs/dbraw/zinc/60/50/94/454605094.db2.gz HAPMXNDEPTXISL-QGZVFWFLSA-N 1 0 334.416 3.063 20 5 EGBDRO C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])s2)C[N@@H+]1Cc1ccccc1 ZINC000134937983 454613203 /nfs/dbraw/zinc/61/32/03/454613203.db2.gz AJGZQHCWBQBRIR-JSGCOSHPSA-N 1 0 345.424 3.049 20 5 EGBDRO COCC[N@H+](CCOc1ccccc1[N+](=O)[O-])Cc1cccs1 ZINC000051283273 454616673 /nfs/dbraw/zinc/61/66/73/454616673.db2.gz ZFRCNRYJCXSKDF-UHFFFAOYSA-N 1 0 336.413 3.184 20 5 EGBDRO CC(C)[C@@H](CNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000105159815 454626368 /nfs/dbraw/zinc/62/63/68/454626368.db2.gz DYDITAFZPSEFQJ-WMLDXEAASA-N 1 0 348.447 3.075 20 5 EGBDRO CCOc1ccc([C@H](C)[NH2+]C2CCN(C3CC3)CC2)cc1[N+](=O)[O-] ZINC000152691814 454713042 /nfs/dbraw/zinc/71/30/42/454713042.db2.gz NIGMEVSTYKHQFT-ZDUSSCGKSA-N 1 0 333.432 3.271 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)n1 ZINC000124451724 454735301 /nfs/dbraw/zinc/73/53/01/454735301.db2.gz MUZXILPZGHPCFN-INIZCTEOSA-N 1 0 332.448 3.391 20 5 EGBDRO NC(=O)[C@@H]1CCCCN1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000162036451 454747311 /nfs/dbraw/zinc/74/73/11/454747311.db2.gz IYEQVTKQNUTOCZ-HNNXBMFYSA-N 1 0 345.424 3.163 20 5 EGBDRO Cc1c(CC(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000162501738 454779600 /nfs/dbraw/zinc/77/96/00/454779600.db2.gz VHWPSGLUCKGWFF-IFXJQAMLSA-N 1 0 347.459 3.072 20 5 EGBDRO COCCN(Cc1ccc(C)o1)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000125497124 454826475 /nfs/dbraw/zinc/82/64/75/454826475.db2.gz LPRLSQUJODXJCH-UHFFFAOYSA-N 1 0 334.372 3.153 20 5 EGBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000163220213 454831330 /nfs/dbraw/zinc/83/13/30/454831330.db2.gz XRWRTZXPKGXMRW-SUMWQHHRSA-N 1 0 344.415 3.075 20 5 EGBDRO Cn1c(CCNc2ncc(Cl)cc2[N+](=O)[O-])nc2ccc(F)cc21 ZINC000153807156 454835884 /nfs/dbraw/zinc/83/58/84/454835884.db2.gz VMHHCUNUESFLBV-UHFFFAOYSA-N 1 0 349.753 3.324 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[NH+]1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000177583221 454880124 /nfs/dbraw/zinc/88/01/24/454880124.db2.gz QDTBBKGMFSFUEH-KRWDZBQOSA-N 1 0 334.416 3.145 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000177611661 454883066 /nfs/dbraw/zinc/88/30/66/454883066.db2.gz LNUGIGHRMGPLOS-AWEZNQCLSA-N 1 0 331.416 3.496 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]CCc2nnc3n2CCCCC3)cc1[N+](=O)[O-] ZINC000126609514 454905617 /nfs/dbraw/zinc/90/56/17/454905617.db2.gz JFXIODGSCAJFAS-AWEZNQCLSA-N 1 0 343.431 3.114 20 5 EGBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000170639906 454946376 /nfs/dbraw/zinc/94/63/76/454946376.db2.gz RRKJDIMMJSDFBO-QWHCGFSZSA-N 1 0 346.431 3.012 20 5 EGBDRO C[C@H]([NH2+]C1CCN(C(=O)c2ccoc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000178641747 454966720 /nfs/dbraw/zinc/96/67/20/454966720.db2.gz HLKAHYWRIZJMPS-ZDUSSCGKSA-N 1 0 343.383 3.143 20 5 EGBDRO Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)c(OCC[NH+](C)C)c1 ZINC000151326431 454969297 /nfs/dbraw/zinc/96/92/97/454969297.db2.gz FEGFSUZTZPOLHJ-UHFFFAOYSA-N 1 0 343.383 3.096 20 5 EGBDRO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)NCc1ccccc1F ZINC000114748837 454976308 /nfs/dbraw/zinc/97/63/08/454976308.db2.gz OYRKXLPEASIFFQ-STQMWFEESA-N 1 0 345.374 3.089 20 5 EGBDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000179215849 455020569 /nfs/dbraw/zinc/02/05/69/455020569.db2.gz CFAWFMMKSSLQRC-GHMZBOCLSA-N 1 0 333.413 3.009 20 5 EGBDRO O=[N+]([O-])c1cccc(C[N@@H+](Cc2ccccc2)[C@@H](CO)C2CC2)c1 ZINC000155919226 455062068 /nfs/dbraw/zinc/06/20/68/455062068.db2.gz VCDMHALBWVYJRB-IBGZPJMESA-N 1 0 326.396 3.368 20 5 EGBDRO CC[C@H](CCO)C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000152621787 455143580 /nfs/dbraw/zinc/14/35/80/455143580.db2.gz NADHLGUJCGVINK-GFCCVEGCSA-N 1 0 335.429 3.217 20 5 EGBDRO C[C@](O)(C[NH2+]Cc1csc([N+](=O)[O-])c1)c1ccccc1Cl ZINC000156701312 455145629 /nfs/dbraw/zinc/14/56/29/455145629.db2.gz YMAMDFLBIQIWKK-AWEZNQCLSA-N 1 0 326.805 3.307 20 5 EGBDRO C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@H]1CCC[C@@H]1O ZINC000180530749 455190987 /nfs/dbraw/zinc/19/09/87/455190987.db2.gz GOPHDWWIMWALMF-PBHICJAKSA-N 1 0 330.384 3.448 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)c1 ZINC000172981143 455217076 /nfs/dbraw/zinc/21/70/76/455217076.db2.gz KSEXTMFFLCSJQC-KRWDZBQOSA-N 1 0 345.374 3.075 20 5 EGBDRO C[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000245444364 455301357 /nfs/dbraw/zinc/30/13/57/455301357.db2.gz JPKXUUVKMNBARH-FRFSOERESA-N 1 0 343.427 3.137 20 5 EGBDRO Cc1ccnc(N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)c1[N+](=O)[O-] ZINC000265188659 455301718 /nfs/dbraw/zinc/30/17/18/455301718.db2.gz KKQLTNYQXXXHQN-JKSUJKDBSA-N 1 0 332.448 3.389 20 5 EGBDRO Cc1cccc(C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1[N+](=O)[O-] ZINC000181660629 455369980 /nfs/dbraw/zinc/36/99/80/455369980.db2.gz KQQXXXIZKMTEKK-HUUCEWRRSA-N 1 0 345.443 3.286 20 5 EGBDRO CCC[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000182178037 455454041 /nfs/dbraw/zinc/45/40/41/455454041.db2.gz KRXORWYVDMDTML-SJORKVTESA-N 1 0 344.411 3.466 20 5 EGBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@H]([NH+](CC)CC)C1 ZINC000184830487 455455147 /nfs/dbraw/zinc/45/51/47/455455147.db2.gz ULNLBLSZRHXGLA-AEFFLSMTSA-N 1 0 347.459 3.106 20 5 EGBDRO C[C@H]1CC(O)C[C@H](C)[NH+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000191193934 455461841 /nfs/dbraw/zinc/46/18/41/455461841.db2.gz VJYIEKUUBUHMBH-STQMWFEESA-N 1 0 345.399 3.026 20 5 EGBDRO COc1cc(C[NH2+]C2CC(C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000266953548 455482119 /nfs/dbraw/zinc/48/21/19/455482119.db2.gz HLGDIAQXVQXTOC-UHFFFAOYSA-N 1 0 348.321 3.433 20 5 EGBDRO CCOC(=O)[C@](C)(C[NH2+]Cc1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000191642194 455506486 /nfs/dbraw/zinc/50/64/86/455506486.db2.gz IFXJFYLVCPSJGM-QGZVFWFLSA-N 1 0 348.424 3.267 20 5 EGBDRO CC(C)NC(=O)C[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000160903831 455511839 /nfs/dbraw/zinc/51/18/39/455511839.db2.gz AIBSJUOTHGNGNM-GFCCVEGCSA-N 1 0 347.440 3.499 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@H](CN2CCOCC2)C1 ZINC000182782331 455586261 /nfs/dbraw/zinc/58/62/61/455586261.db2.gz QKFUOYQHTAIGCH-IAGOWNOFSA-N 1 0 347.459 3.008 20 5 EGBDRO CC[C@@H]1Cc2ccccc2C[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000185802986 455625529 /nfs/dbraw/zinc/62/55/29/455625529.db2.gz CPOBHXUZBANOHO-QGZVFWFLSA-N 1 0 339.395 3.031 20 5 EGBDRO COc1cc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000292310874 455625559 /nfs/dbraw/zinc/62/55/59/455625559.db2.gz OHNPGTXXSRAWGA-GFCCVEGCSA-N 1 0 337.395 3.053 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000192510236 455634917 /nfs/dbraw/zinc/63/49/17/455634917.db2.gz BFXDZKUTAATBQN-OKILXGFUSA-N 1 0 333.432 3.001 20 5 EGBDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)c1ncc([N+](=O)[O-])s1 ZINC000192519204 455635887 /nfs/dbraw/zinc/63/58/87/455635887.db2.gz ZVGMTAAKCSITRD-UHFFFAOYSA-N 1 0 347.444 3.189 20 5 EGBDRO Cc1cnc(NCC2CCN(c3cc[nH+]cc3)CC2)c([N+](=O)[O-])c1 ZINC000271446373 455639218 /nfs/dbraw/zinc/63/92/18/455639218.db2.gz OVDMADHEXGGMFV-UHFFFAOYSA-N 1 0 327.388 3.022 20 5 EGBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000192547449 455640095 /nfs/dbraw/zinc/64/00/95/455640095.db2.gz LKOKLDQFGZPOLB-MRXNPFEDSA-N 1 0 349.479 3.068 20 5 EGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CO)Cc1ccc(F)cc1 ZINC000271451601 455642962 /nfs/dbraw/zinc/64/29/62/455642962.db2.gz GEXOXYIADAFJCZ-KBXCAEBGSA-N 1 0 346.402 3.248 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1CCCC[C@H]1C ZINC000192800827 455696165 /nfs/dbraw/zinc/69/61/65/455696165.db2.gz YCJMQZLGQLJJCR-TZMCWYRMSA-N 1 0 335.404 3.100 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@H]1CCCC[C@@H]1C ZINC000192799723 455696222 /nfs/dbraw/zinc/69/62/22/455696222.db2.gz OXFRBJUZKSQTAM-BBRMVZONSA-N 1 0 349.431 3.443 20 5 EGBDRO COc1cccc([C@H](O)C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000192852846 455707166 /nfs/dbraw/zinc/70/71/66/455707166.db2.gz VQUYXKDBZIDICN-RTBURBONSA-N 1 0 342.395 3.304 20 5 EGBDRO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3cc4ccccc4c4cccnc34)C[C@H]12 ZINC000248617997 455723796 /nfs/dbraw/zinc/72/37/96/455723796.db2.gz MIBXCVADRFEGQU-MDASCCDHSA-N 1 0 331.419 3.197 20 5 EGBDRO CC[C@H]([NH2+]C[C@H](O)c1cccc(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000268935050 455735665 /nfs/dbraw/zinc/73/56/65/455735665.db2.gz ROXZCGHVYWSYIH-ROUUACIJSA-N 1 0 330.384 3.378 20 5 EGBDRO Cc1c([C@@H](C)[NH2+]CC(=O)N(C)C2CCCCC2)cccc1[N+](=O)[O-] ZINC000268933763 455736003 /nfs/dbraw/zinc/73/60/03/455736003.db2.gz MRFGCQDWWXPMSR-CQSZACIVSA-N 1 0 333.432 3.345 20 5 EGBDRO CC[C@H]([NH2+][C@H]1CCC[C@H](C(=O)N(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000268949382 455740029 /nfs/dbraw/zinc/74/00/29/455740029.db2.gz VCIJTOWUUZZYHN-ZOBUZTSGSA-N 1 0 333.432 3.283 20 5 EGBDRO COC1(C[NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000186507463 455783097 /nfs/dbraw/zinc/78/30/97/455783097.db2.gz SUAJICXHGKTAAD-AWEZNQCLSA-N 1 0 349.431 3.251 20 5 EGBDRO O=[N+]([O-])c1cc(Br)ccc1N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000252386528 455803183 /nfs/dbraw/zinc/80/31/83/455803183.db2.gz IKMALKROOYOMQW-LBPRGKRZSA-N 1 0 340.221 3.032 20 5 EGBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000285240849 455810873 /nfs/dbraw/zinc/81/08/73/455810873.db2.gz GNIVBIBOCADWGC-UHFFFAOYSA-N 1 0 333.319 3.317 20 5 EGBDRO COc1cc2c(cc1OC)[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)CC2 ZINC000280052503 455882261 /nfs/dbraw/zinc/88/22/61/455882261.db2.gz JSMWVFMGWMKRTA-KRWDZBQOSA-N 1 0 342.395 3.432 20 5 EGBDRO COc1ccc(CN2C[C@H](C)[NH2+]Cc3ccccc32)cc1[N+](=O)[O-] ZINC000261646983 455921038 /nfs/dbraw/zinc/92/10/38/455921038.db2.gz JCYKRCSAKHHSMR-ZDUSSCGKSA-N 1 0 327.384 3.102 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(C2(C)OCCO2)CC1 ZINC000272432207 455948497 /nfs/dbraw/zinc/94/84/97/455948497.db2.gz HTWBFNNGECUNQJ-CQSZACIVSA-N 1 0 334.416 3.439 20 5 EGBDRO C[C@@H]([NH2+][C@H](C)c1ccc2c(c1)OCC(=O)N2)c1cccc([N+](=O)[O-])c1 ZINC000285998604 455957388 /nfs/dbraw/zinc/95/73/88/455957388.db2.gz IMUVJXLAGWBTNN-VXGBXAGGSA-N 1 0 341.367 3.338 20 5 EGBDRO CC1=C(Br)CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000280526072 455989803 /nfs/dbraw/zinc/98/98/03/455989803.db2.gz CQNYYZKETSVANG-AWEZNQCLSA-N 1 0 341.205 3.003 20 5 EGBDRO Cc1cc(C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000195694603 455993968 /nfs/dbraw/zinc/99/39/68/455993968.db2.gz BJLXDKIKXLSGIF-CYBMUJFWSA-N 1 0 333.432 3.144 20 5 EGBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000280625916 456016520 /nfs/dbraw/zinc/01/65/20/456016520.db2.gz CACCQPUFYKFWGW-GOSISDBHSA-N 1 0 345.443 3.051 20 5 EGBDRO C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000296721383 456019042 /nfs/dbraw/zinc/01/90/42/456019042.db2.gz NNXCNJDHHGFRSO-RKVPGOIHSA-N 1 0 341.411 3.023 20 5 EGBDRO C[C@H]([NH2+]CC(=O)N(C)Cc1ccccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000296842727 456050302 /nfs/dbraw/zinc/05/03/02/456050302.db2.gz XLFRQGGZJRQNTD-ZDUSSCGKSA-N 1 0 345.374 3.043 20 5 EGBDRO C[C@H](CNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000332636097 456103417 /nfs/dbraw/zinc/10/34/17/456103417.db2.gz YBVNPIAZJZLJAC-KFWWJZLASA-N 1 0 348.447 3.075 20 5 EGBDRO COc1cc(N2CC[NH+](C3CCC(C)CC3)CC2)ccc1[N+](=O)[O-] ZINC000301389937 456105547 /nfs/dbraw/zinc/10/55/47/456105547.db2.gz GBHQKMNGAQPFRM-UHFFFAOYSA-N 1 0 333.432 3.304 20 5 EGBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)c1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000301424749 456112060 /nfs/dbraw/zinc/11/20/60/456112060.db2.gz DDSLFDXBCFKTIQ-HNNXBMFYSA-N 1 0 328.416 3.454 20 5 EGBDRO Cc1cc(N[C@H]2CCC[N@H+](Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000301435347 456115203 /nfs/dbraw/zinc/11/52/03/456115203.db2.gz RHEBXUNIPSPDMB-INIZCTEOSA-N 1 0 326.400 3.375 20 5 EGBDRO COc1cc(N2CC[N@H+](Cc3ccccc3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000301540321 456142375 /nfs/dbraw/zinc/14/23/75/456142375.db2.gz NCMUOZQDTWDUHD-OAHLLOKOSA-N 1 0 341.411 3.314 20 5 EGBDRO COCCO[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000188826229 456146914 /nfs/dbraw/zinc/14/69/14/456146914.db2.gz LXOVTYSLMRBTQL-CQSZACIVSA-N 1 0 346.383 3.092 20 5 EGBDRO CC(C)(C)NC(=O)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000236654256 456164531 /nfs/dbraw/zinc/16/45/31/456164531.db2.gz GANMUCGFAZGZTC-UHFFFAOYSA-N 1 0 347.440 3.328 20 5 EGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)Cn1ccnc1 ZINC000271198952 456167934 /nfs/dbraw/zinc/16/79/34/456167934.db2.gz YUNSZXFXPHUKPC-KGLIPLIRSA-N 1 0 334.445 3.340 20 5 EGBDRO C[C@@]1([NH2+]Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CCO[C@H]1C1CC1 ZINC000273110586 456181280 /nfs/dbraw/zinc/18/12/80/456181280.db2.gz XLBALHREKRGHLD-FUHWJXTLSA-N 1 0 343.383 3.297 20 5 EGBDRO Cc1ccc(C[C@@H](CO)[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000188974170 456187150 /nfs/dbraw/zinc/18/71/50/456187150.db2.gz JVWHONKYAUPODF-HNNXBMFYSA-N 1 0 334.803 3.250 20 5 EGBDRO CCC[N@H+](C)C[C@H]1CCN(c2ccnc3ccc([N+](=O)[O-])cc32)C1 ZINC000601120316 460718353 /nfs/dbraw/zinc/71/83/53/460718353.db2.gz JSISTBXJSSXSIR-CQSZACIVSA-N 1 0 328.416 3.311 20 5 EGBDRO Cc1cc(NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)ccc1[N+](=O)[O-] ZINC000273188256 456206559 /nfs/dbraw/zinc/20/65/59/456206559.db2.gz MPTQDTZEMZVQAN-GOSISDBHSA-N 1 0 341.411 3.082 20 5 EGBDRO C[N@@H+]1CCC[C@@H]2CN(c3nccc4cc([N+](=O)[O-])ccc43)CC[C@H]21 ZINC000297405542 456212035 /nfs/dbraw/zinc/21/20/35/456212035.db2.gz GBMKDRLQJFUDSX-RHSMWYFYSA-N 1 0 326.400 3.064 20 5 EGBDRO CC(C)(C)Oc1cc(N2CC[C@H]([NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000301883121 456242360 /nfs/dbraw/zinc/24/23/60/456242360.db2.gz NEVZGZPWMYAOIX-HNNXBMFYSA-N 1 0 333.432 3.447 20 5 EGBDRO Cc1ccc(CN[C@@H](C[NH+](C)C)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000290126402 456247442 /nfs/dbraw/zinc/24/74/42/456247442.db2.gz MOQZFLAERQFXLN-KRWDZBQOSA-N 1 0 331.391 3.435 20 5 EGBDRO CC[C@@H]1CCCC[N@@H+]1CCNc1cc(OC)c([N+](=O)[O-])cc1F ZINC000301916813 456250497 /nfs/dbraw/zinc/25/04/97/456250497.db2.gz HFJNNZZYANPNNC-GFCCVEGCSA-N 1 0 325.384 3.419 20 5 EGBDRO O=C(CC[N@@H+]1CCS[C@H]2CCCC[C@@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000281861679 456341609 /nfs/dbraw/zinc/34/16/09/456341609.db2.gz AORRVSSTXGWZQP-HOTGVXAUSA-N 1 0 349.456 3.283 20 5 EGBDRO COc1ccc(-c2ccc(C[NH2+]C3(CO)CCCC3)o2)c([N+](=O)[O-])c1 ZINC000347796498 456372442 /nfs/dbraw/zinc/37/24/42/456372442.db2.gz DNGUWXKUULPYBQ-UHFFFAOYSA-N 1 0 346.383 3.258 20 5 EGBDRO CCOC1(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCCC1 ZINC000340466197 456475310 /nfs/dbraw/zinc/47/53/10/456475310.db2.gz PZVQHOPIONVZKS-GJZGRUSLSA-N 1 0 336.436 3.214 20 5 EGBDRO C[C@@H]([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CCCOC1 ZINC000348140459 456511517 /nfs/dbraw/zinc/51/15/17/456511517.db2.gz KSLDURUXGCJGQC-TZMCWYRMSA-N 1 0 331.372 3.155 20 5 EGBDRO C[C@@H](NC(=O)NCC(C)(C)C[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000276630385 456537714 /nfs/dbraw/zinc/53/77/14/456537714.db2.gz MASYKYNMQKSMRJ-CQSZACIVSA-N 1 0 348.447 3.077 20 5 EGBDRO COC(=O)c1cc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)n(C)c1C ZINC000291165907 456551209 /nfs/dbraw/zinc/55/12/09/456551209.db2.gz JCHGMBOWFUYSSK-LBPRGKRZSA-N 1 0 345.399 3.188 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CC[C@](CO)(c2ccccc2)C1 ZINC000291285574 456591651 /nfs/dbraw/zinc/59/16/51/456591651.db2.gz PAOMHNJMQJOINM-IEJURRBGSA-N 1 0 338.407 3.244 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CC[C@@](CO)(c2ccccc2)C1 ZINC000291285572 456592386 /nfs/dbraw/zinc/59/23/86/456592386.db2.gz PAOMHNJMQJOINM-CPSHHHPTSA-N 1 0 338.407 3.244 20 5 EGBDRO C[N@H+](CC[C@H]1CCCO1)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000343458247 456634318 /nfs/dbraw/zinc/63/43/18/456634318.db2.gz BZXMUFFVKFQWDC-CYBMUJFWSA-N 1 0 330.331 3.197 20 5 EGBDRO CC[C@H](C)[NH2+][C@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000353329243 456642811 /nfs/dbraw/zinc/64/28/11/456642811.db2.gz KEEDWRDFUHUCKU-SWLSCSKDSA-N 1 0 346.387 3.439 20 5 EGBDRO C[NH+](C)[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000277146656 456696928 /nfs/dbraw/zinc/69/69/28/456696928.db2.gz KLKYFVAXFTVZRK-NSHDSACASA-N 1 0 342.237 3.278 20 5 EGBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000343570383 456714377 /nfs/dbraw/zinc/71/43/77/456714377.db2.gz MPFVLWPZAOAYJN-HNNXBMFYSA-N 1 0 333.432 3.322 20 5 EGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@](CO)(c2ccccc2)C1 ZINC000291708379 456728457 /nfs/dbraw/zinc/72/84/57/456728457.db2.gz IJKDTRMRNNIWDR-KXBFYZLASA-N 1 0 326.396 3.292 20 5 EGBDRO Cc1nc2sccn2c1CN(C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000283205529 456736513 /nfs/dbraw/zinc/73/65/13/456736513.db2.gz RPQHEAAJIQVHRP-UHFFFAOYSA-N 1 0 334.376 3.384 20 5 EGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](Cc2nccn2C)C1 ZINC000340892708 456744668 /nfs/dbraw/zinc/74/46/68/456744668.db2.gz BTNZOCGSVDROOV-HUUCEWRRSA-N 1 0 328.416 3.344 20 5 EGBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccc([S@](C)=O)cc1 ZINC000348669562 456809238 /nfs/dbraw/zinc/80/92/38/456809238.db2.gz GLPNYSKDOBAQPK-QHCPKHFHSA-N 1 0 332.425 3.007 20 5 EGBDRO COCCO[C@H]1CCC[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000338958088 456877832 /nfs/dbraw/zinc/87/78/32/456877832.db2.gz RWSDKOJQQQPEKO-RXBGNRNISA-N 1 0 334.416 3.126 20 5 EGBDRO COc1ccc(-c2ccc(C[N@@H+]3CCOC[C@H](C)C3)o2)c([N+](=O)[O-])c1 ZINC000353743512 456884229 /nfs/dbraw/zinc/88/42/29/456884229.db2.gz XRGDCEXNOWFIJB-CYBMUJFWSA-N 1 0 346.383 3.332 20 5 EGBDRO CC[NH+](CC)[C@H](CNc1c([N+](=O)[O-])c(C)nn1C)Cc1ccccc1 ZINC000358868271 457013232 /nfs/dbraw/zinc/01/32/32/457013232.db2.gz GWVBFQQKDQEROI-INIZCTEOSA-N 1 0 345.447 3.002 20 5 EGBDRO CC(C)(CO)[C@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])c1cccnc1 ZINC000354072289 457044329 /nfs/dbraw/zinc/04/43/29/457044329.db2.gz GKSSYPWJZNPDQL-XOWYPZSQSA-N 1 0 341.411 3.352 20 5 EGBDRO COc1c(C(=O)Nc2cc(C)cc(C[NH+](C)C)c2)cccc1[N+](=O)[O-] ZINC000356570192 457060885 /nfs/dbraw/zinc/06/08/85/457060885.db2.gz WEIRXGKOAFSKKC-UHFFFAOYSA-N 1 0 343.383 3.226 20 5 EGBDRO Cc1c(NC(=O)CC[NH+]2CCC(C(F)F)CC2)cccc1[N+](=O)[O-] ZINC000362730508 457067924 /nfs/dbraw/zinc/06/79/24/457067924.db2.gz XXICWLJGICMNJA-UHFFFAOYSA-N 1 0 341.358 3.209 20 5 EGBDRO CC(C)[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1C ZINC000362738858 457071199 /nfs/dbraw/zinc/07/11/99/457071199.db2.gz XSAUAXONUJLFOE-AWEZNQCLSA-N 1 0 340.811 3.052 20 5 EGBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)CC[NH+](C)C ZINC000356626931 457089880 /nfs/dbraw/zinc/08/98/80/457089880.db2.gz GHLPFNGQBOTDII-LBPRGKRZSA-N 1 0 339.461 3.167 20 5 EGBDRO CCc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](CC)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000349886509 457095125 /nfs/dbraw/zinc/09/51/25/457095125.db2.gz WXPVXMMTARWQCW-BBRMVZONSA-N 1 0 333.432 3.102 20 5 EGBDRO CCNC(=O)[C@H]([NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(C)C ZINC000339431834 457114244 /nfs/dbraw/zinc/11/42/44/457114244.db2.gz WSJFOQAQKUBMBY-QGZVFWFLSA-N 1 0 345.399 3.105 20 5 EGBDRO Cc1cnc(N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000342197304 457162650 /nfs/dbraw/zinc/16/26/50/457162650.db2.gz GMUXLBJPTYMVPO-ZBFHGGJFSA-N 1 0 326.400 3.373 20 5 EGBDRO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCC[N@@H+]2CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000331563633 457207880 /nfs/dbraw/zinc/20/78/80/457207880.db2.gz JGFRRNGAYYUPRG-FDPIWHGQSA-N 1 0 348.443 3.235 20 5 EGBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC000354417753 457208948 /nfs/dbraw/zinc/20/89/48/457208948.db2.gz CNWIWCXNZKZFOU-WCQYABFASA-N 1 0 339.823 3.193 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](CC2CC2)C1 ZINC000339682743 457212102 /nfs/dbraw/zinc/21/21/02/457212102.db2.gz LIOXAPJFMVLGCH-OCCSQVGLSA-N 1 0 347.415 3.052 20 5 EGBDRO C[C@H]1CCC[C@@H](C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000357004005 457270142 /nfs/dbraw/zinc/27/01/42/457270142.db2.gz OTRYUSBKFFKUFN-JKSUJKDBSA-N 1 0 345.443 3.179 20 5 EGBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H](c2cccs2)C2CC2)c1 ZINC000342486465 457331222 /nfs/dbraw/zinc/33/12/22/457331222.db2.gz ZCWQNSIYYYGEPS-PBHICJAKSA-N 1 0 348.424 3.137 20 5 EGBDRO CC(C)[NH+](CCN(C)c1ncnc2cccc([N+](=O)[O-])c21)C(C)C ZINC000347408254 457406977 /nfs/dbraw/zinc/40/69/77/457406977.db2.gz DXTUVBBGEDVGRQ-UHFFFAOYSA-N 1 0 331.420 3.093 20 5 EGBDRO C[C@H]([NH2+]C1CCN(C(=O)C(C)(C)C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000391844413 457453685 /nfs/dbraw/zinc/45/36/85/457453685.db2.gz GMYYHMWNGACWNG-ZDUSSCGKSA-N 1 0 333.432 3.283 20 5 EGBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000360953344 457460805 /nfs/dbraw/zinc/46/08/05/457460805.db2.gz JUTQSOHXOGUVDT-UHFFFAOYSA-N 1 0 349.479 3.212 20 5 EGBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000360961493 457468957 /nfs/dbraw/zinc/46/89/57/457468957.db2.gz RLLFDFNRYQVQMH-OAHLLOKOSA-N 1 0 331.420 3.143 20 5 EGBDRO CCc1ccc(C(=O)N(CCC[NH3+])CC2CCCC2)cc1[N+](=O)[O-] ZINC000357380308 457481480 /nfs/dbraw/zinc/48/14/80/457481480.db2.gz ROBJHJRVPOIGQB-UHFFFAOYSA-N 1 0 333.432 3.138 20 5 EGBDRO CCC[C@H]([NH2+][C@H]1CCO[C@]2(CCOC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000364297799 457554264 /nfs/dbraw/zinc/55/42/64/457554264.db2.gz BELYQAKAFYGPMK-RYQLBKOJSA-N 1 0 334.416 3.364 20 5 EGBDRO CC[C@H]1CN(Cc2ccc(Br)cc2[N+](=O)[O-])CCCO1 ZINC000425447411 457558035 /nfs/dbraw/zinc/55/80/35/457558035.db2.gz RSBGCHVJMAATRV-ZDUSSCGKSA-N 1 0 343.221 3.358 20 5 EGBDRO CSC1(CNc2ccc(C(C)=O)cc2[N+](=O)[O-])CC[NH+](C)CC1 ZINC000357552623 457592624 /nfs/dbraw/zinc/59/26/24/457592624.db2.gz VZTFRRLHHREQEJ-UHFFFAOYSA-N 1 0 337.445 3.037 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)n1 ZINC000364455055 457609646 /nfs/dbraw/zinc/60/96/46/457609646.db2.gz CZPHTFPPFULXFD-INIZCTEOSA-N 1 0 326.400 3.009 20 5 EGBDRO C[C@@H]1[C@H](C)N(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC[N@H+]1C ZINC000361168086 457626409 /nfs/dbraw/zinc/62/64/09/457626409.db2.gz RRNQINIDSWKFJR-KGLIPLIRSA-N 1 0 329.400 3.379 20 5 EGBDRO COCc1cc([N+](=O)[O-])ccc1NC[C@@H](c1ccccc1)[NH+](C)C ZINC000357689652 457658670 /nfs/dbraw/zinc/65/86/70/457658670.db2.gz XRILBRSWKYKDHS-SFHVURJKSA-N 1 0 329.400 3.456 20 5 EGBDRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000357852220 457712328 /nfs/dbraw/zinc/71/23/28/457712328.db2.gz NIXIBTRTHYYDHX-KDOFPFPSSA-N 1 0 341.411 3.324 20 5 EGBDRO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)CC(C)(C)C ZINC000361522516 457768095 /nfs/dbraw/zinc/76/80/95/457768095.db2.gz PHMKFLMXNCBCEX-UHFFFAOYSA-N 1 0 337.420 3.300 20 5 EGBDRO C[C@H]([NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)[C@H](C)N1CCOCC1 ZINC000433173152 457769352 /nfs/dbraw/zinc/76/93/52/457769352.db2.gz JKQXIUQKTVFYMS-DEYYWGMASA-N 1 0 347.459 3.016 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](C)C[C@H](C)C1 ZINC000443648929 457796906 /nfs/dbraw/zinc/79/69/06/457796906.db2.gz GBDURROLYXWCQU-KGLIPLIRSA-N 1 0 349.431 3.300 20 5 EGBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000443650318 457798791 /nfs/dbraw/zinc/79/87/91/457798791.db2.gz IGMZPOPAFVFHAR-UONOGXRCSA-N 1 0 349.431 3.300 20 5 EGBDRO CC1(C)C[C@@H]([NH2+]CCn2cnnc2C2CC2)c2cc([N+](=O)[O-])ccc21 ZINC000433284609 457798922 /nfs/dbraw/zinc/79/89/22/457798922.db2.gz QXQCSIHAAWMSHC-MRXNPFEDSA-N 1 0 341.415 3.076 20 5 EGBDRO CCc1nn(C)cc1C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433284952 457799124 /nfs/dbraw/zinc/79/91/24/457799124.db2.gz REQSEPNLBSCFAM-QGZVFWFLSA-N 1 0 328.416 3.403 20 5 EGBDRO CN(C)[C@]1(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CCSC1 ZINC000433307156 457805306 /nfs/dbraw/zinc/80/53/06/457805306.db2.gz UQXCSMIQBRVZDB-WMZOPIPTSA-N 1 0 349.500 3.344 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cnc(C(F)(F)F)s2)cc1 ZINC000443971584 457831695 /nfs/dbraw/zinc/83/16/95/457831695.db2.gz ULGJUTXJELEAGZ-UHFFFAOYSA-N 1 0 331.319 3.402 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H]1C(C)(C)C ZINC000411243840 457840138 /nfs/dbraw/zinc/84/01/38/457840138.db2.gz YJHQOKKOBWKNGW-MRXNPFEDSA-N 1 0 349.431 3.443 20 5 EGBDRO Cn1ncc2c1CCC[C@@H]2[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000358193166 457851329 /nfs/dbraw/zinc/85/13/29/457851329.db2.gz AKXRMCFGNZAJFR-KRWDZBQOSA-N 1 0 328.416 3.318 20 5 EGBDRO CC[C@H]1C[C@H](C)C[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000411306874 457854504 /nfs/dbraw/zinc/85/45/04/457854504.db2.gz WSMMEMJHKIQLJC-STQMWFEESA-N 1 0 335.404 3.052 20 5 EGBDRO CCC[C@H]([NH2+][C@H]1CC(=O)N(C(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000358210212 457861223 /nfs/dbraw/zinc/86/12/23/457861223.db2.gz YCELANDIIOJGIM-HOCLYGCPSA-N 1 0 333.432 3.425 20 5 EGBDRO Cn1cc(C[N@@H+]2CCC[C@H]2C2CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000371419908 457922502 /nfs/dbraw/zinc/92/25/02/457922502.db2.gz RCQWSJQRKYODQJ-KRWDZBQOSA-N 1 0 326.400 3.370 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@H]1CCCC[C@H]1C ZINC000411618064 457929677 /nfs/dbraw/zinc/92/96/77/457929677.db2.gz VZUSZLVKCUSKPH-CJNGLKHVSA-N 1 0 349.431 3.443 20 5 EGBDRO COc1ccc(NC(=O)CC[N@H+](C)[C@@H]2CC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000411632278 457933601 /nfs/dbraw/zinc/93/36/01/457933601.db2.gz POVLZERKXYFMLS-CHWSQXEVSA-N 1 0 335.404 3.052 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@@H]1CC[C@H](C)C1 ZINC000411632739 457934840 /nfs/dbraw/zinc/93/48/40/457934840.db2.gz GSPBVHINWXGBKK-QWHCGFSZSA-N 1 0 335.404 3.052 20 5 EGBDRO CC[C@@H]1CCCC[C@@H]1[N@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000444677384 457934972 /nfs/dbraw/zinc/93/49/72/457934972.db2.gz PLLIWJFDVCPHHE-PBHICJAKSA-N 1 0 345.443 3.385 20 5 EGBDRO Cc1cnc(CC[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])nc1 ZINC000358381065 457965627 /nfs/dbraw/zinc/96/56/27/457965627.db2.gz YVCQHTSCAFPZRT-RDJZCZTQSA-N 1 0 340.427 3.237 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@H](N2CCCC2=O)CC1 ZINC000412054412 458070543 /nfs/dbraw/zinc/07/05/43/458070543.db2.gz IIECMCJKCBBNCE-HOTGVXAUSA-N 1 0 345.443 3.441 20 5 EGBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@]2(CO)C[C@H]2c2ccc(F)cc2)cs1 ZINC000428545822 458165962 /nfs/dbraw/zinc/16/59/62/458165962.db2.gz LCXGBVCACAYOCR-HOCLYGCPSA-N 1 0 336.388 3.051 20 5 EGBDRO CO[C@H]1CCC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000376067101 458182576 /nfs/dbraw/zinc/18/25/76/458182576.db2.gz KGMLLBKTIPIVSO-INIZCTEOSA-N 1 0 331.372 3.251 20 5 EGBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@@H]1C ZINC000446493064 458192511 /nfs/dbraw/zinc/19/25/11/458192511.db2.gz DMDIFNYZRKLSNM-UONOGXRCSA-N 1 0 334.420 3.240 20 5 EGBDRO C[C@H](Cc1ccccc1F)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446833609 458234897 /nfs/dbraw/zinc/23/48/97/458234897.db2.gz HMCVGJSTXYIERR-LLVKDONJSA-N 1 0 328.347 3.331 20 5 EGBDRO CC(C)C[N@@H+]1CC[C@@H](CNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000436395208 458298922 /nfs/dbraw/zinc/29/89/22/458298922.db2.gz WZMCQZHFTLPWGU-NSHDSACASA-N 1 0 346.353 3.398 20 5 EGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCOc2cccc(F)c2)n1 ZINC000447544805 458309106 /nfs/dbraw/zinc/30/91/06/458309106.db2.gz WIPZYYWNQFWBTC-JKSUJKDBSA-N 1 0 348.378 3.083 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1OC(F)F ZINC000369671975 458311777 /nfs/dbraw/zinc/31/17/77/458311777.db2.gz KVLHWZDOYYJKNF-RYUDHWBXSA-N 1 0 327.331 3.235 20 5 EGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@H]2CCOC3(CCCC3)C2)n1 ZINC000447579807 458315517 /nfs/dbraw/zinc/31/55/17/458315517.db2.gz LQAHCLWGQXDZEF-ARFHVFGLSA-N 1 0 348.447 3.356 20 5 EGBDRO C[C@@H]1C[C@H](CC[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCO1 ZINC000447602956 458321179 /nfs/dbraw/zinc/32/11/79/458321179.db2.gz URLZQPCNTQDXLA-WCVJEAGWSA-N 1 0 336.436 3.070 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)CCCNC(=O)C1CCC1 ZINC000429552282 458343704 /nfs/dbraw/zinc/34/37/04/458343704.db2.gz JEUXGSTVGAWYOF-CQSZACIVSA-N 1 0 333.432 3.202 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000447997965 458376701 /nfs/dbraw/zinc/37/67/01/458376701.db2.gz DNDRDPFZSWVYDD-OAHLLOKOSA-N 1 0 348.447 3.454 20 5 EGBDRO C[C@@H](CCc1ccccc1)[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000459496730 458391989 /nfs/dbraw/zinc/39/19/89/458391989.db2.gz PTFMMGQUCRDHDC-INIZCTEOSA-N 1 0 340.427 3.133 20 5 EGBDRO CCOC(=O)C[C@](C)([NH2+]Cc1ccc([N+](=O)[O-])cc1OC)C(C)C ZINC000430206447 458420425 /nfs/dbraw/zinc/42/04/25/458420425.db2.gz WANPSHUTYLCQQW-KRWDZBQOSA-N 1 0 338.404 3.061 20 5 EGBDRO CC(C)CC[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000460347409 458512703 /nfs/dbraw/zinc/51/27/03/458512703.db2.gz CAMPSYLJFMIRKM-UHFFFAOYSA-N 1 0 331.420 3.029 20 5 EGBDRO CC(C)C[C@@H]1CCC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000469243409 458561870 /nfs/dbraw/zinc/56/18/70/458561870.db2.gz TUBYDNMRYZJDLT-DOTOQJQBSA-N 1 0 336.432 3.093 20 5 EGBDRO C[NH+](C)C1(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCC1 ZINC000438322663 458562536 /nfs/dbraw/zinc/56/25/36/458562536.db2.gz HUJWMRCZQTZUFJ-UHFFFAOYSA-N 1 0 329.400 3.429 20 5 EGBDRO O=[N+]([O-])c1cc2ccccc2nc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000373700396 458576850 /nfs/dbraw/zinc/57/68/50/458576850.db2.gz MSQIESFLHXIICD-HNNXBMFYSA-N 1 0 340.427 3.455 20 5 EGBDRO CCC1(CC)CC[N@@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000438505070 458588636 /nfs/dbraw/zinc/58/86/36/458588636.db2.gz MJMXHNZNMCJUCH-ZDUSSCGKSA-N 1 0 349.431 3.443 20 5 EGBDRO COC(=O)CC[N@@H+](Cc1c(Cl)cccc1[N+](=O)[O-])CC(C)C ZINC000493876099 458594071 /nfs/dbraw/zinc/59/40/71/458594071.db2.gz UBYYYMXCPQGYMK-UHFFFAOYSA-N 1 0 328.796 3.269 20 5 EGBDRO COC(=O)[C@H]1CC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H]1C ZINC000470149753 458615704 /nfs/dbraw/zinc/61/57/04/458615704.db2.gz CRSXRKLGXZCIHU-WBMJQRKESA-N 1 0 344.367 3.238 20 5 EGBDRO [NH3+]C1(c2noc(-c3ccc(NC4CC4)c([N+](=O)[O-])c3)n2)CCCCC1 ZINC000424337418 458620412 /nfs/dbraw/zinc/62/04/12/458620412.db2.gz LGJSUYBAWMVJHQ-UHFFFAOYSA-N 1 0 343.387 3.337 20 5 EGBDRO Cc1cc(NCC2([NH+](C)C)Cc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000462878483 458663593 /nfs/dbraw/zinc/66/35/93/458663593.db2.gz NDVJROGAGFQETJ-UHFFFAOYSA-N 1 0 325.412 3.414 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCN(c3ccccc3F)C2)c(F)c1 ZINC000462910720 458665926 /nfs/dbraw/zinc/66/59/26/458665926.db2.gz JBSYILBPIFJVCR-CYBMUJFWSA-N 1 0 347.365 3.489 20 5 EGBDRO C[N@H+](CCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CCCCC1 ZINC000546723558 458666953 /nfs/dbraw/zinc/66/69/53/458666953.db2.gz NSDHAQDQCQJXBQ-UHFFFAOYSA-N 1 0 331.416 3.139 20 5 EGBDRO CCC[N@H+](C)C[C@@H]1CCN(c2ccnc3c2cccc3[N+](=O)[O-])C1 ZINC000432315431 458714041 /nfs/dbraw/zinc/71/40/41/458714041.db2.gz UUOCHQBGSLPMTG-AWEZNQCLSA-N 1 0 328.416 3.311 20 5 EGBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2c2ccnc3c2cccc3[N+](=O)[O-])C1 ZINC000432340654 458719571 /nfs/dbraw/zinc/71/95/71/458719571.db2.gz NZDWFTVCLTUFJX-DZGCQCFKSA-N 1 0 326.400 3.064 20 5 EGBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCc2ccccc2F)n1 ZINC000472614873 458805224 /nfs/dbraw/zinc/80/52/24/458805224.db2.gz WKTMYBUJLHJXEB-HOTGVXAUSA-N 1 0 332.379 3.246 20 5 EGBDRO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000495428523 458853859 /nfs/dbraw/zinc/85/38/59/458853859.db2.gz XOBQNVZKLJMHPT-UHOFOFEASA-N 1 0 333.432 3.244 20 5 EGBDRO CC[C@@H]1CCCCN1CC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000556064322 458925386 /nfs/dbraw/zinc/92/53/86/458925386.db2.gz YKBRRDUQAGBPTK-IXDOHACOSA-N 1 0 349.479 3.129 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000475643777 458956849 /nfs/dbraw/zinc/95/68/49/458956849.db2.gz XRDLAMBTTCIFFD-SWLSCSKDSA-N 1 0 348.447 3.454 20 5 EGBDRO C[C@H](O)[C@@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000576960024 458957251 /nfs/dbraw/zinc/95/72/51/458957251.db2.gz FEDMDHTVFKGMKE-WDEREUQCSA-N 1 0 332.322 3.206 20 5 EGBDRO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C[C@@H](O)Cc1ccccc1 ZINC000556895583 459029582 /nfs/dbraw/zinc/02/95/82/459029582.db2.gz VAFSQTFJHAMVHW-DBEXCURXSA-N 1 0 326.396 3.143 20 5 EGBDRO COc1nc(C)cc(C)c1C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594495294 459060838 /nfs/dbraw/zinc/06/08/38/459060838.db2.gz POFMAKPDMBZHAX-MRXNPFEDSA-N 1 0 327.384 3.392 20 5 EGBDRO COCCOc1ccccc1C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594505350 459066470 /nfs/dbraw/zinc/06/64/70/459066470.db2.gz RSLGZOCMJRNQRW-KRWDZBQOSA-N 1 0 342.395 3.397 20 5 EGBDRO Cc1cccc2nc(CC[NH2+][C@H]3CCc4c3cccc4[N+](=O)[O-])cn21 ZINC000594507689 459067788 /nfs/dbraw/zinc/06/77/88/459067788.db2.gz PLVDDSZRILBAML-KRWDZBQOSA-N 1 0 336.395 3.371 20 5 EGBDRO Cc1cnc(CC[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c(C)c1 ZINC000594509325 459068560 /nfs/dbraw/zinc/06/85/60/459068560.db2.gz HMXIOFANOVXOIC-DLBZAZTESA-N 1 0 343.431 3.119 20 5 EGBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@H]3Cc4[nH]c5ccccc5c4C3)nc2c1 ZINC000443061820 459080859 /nfs/dbraw/zinc/08/08/59/459080859.db2.gz KGYKLADLYYHDEP-LLVKDONJSA-N 1 0 347.378 3.209 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000557539419 459082351 /nfs/dbraw/zinc/08/23/51/459082351.db2.gz DGVFDYOCRVOJTM-CQSZACIVSA-N 1 0 348.447 3.399 20 5 EGBDRO CC(C)[C@]1(CO)CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000590203955 459101191 /nfs/dbraw/zinc/10/11/91/459101191.db2.gz JYIHADGRUXOJGV-GOSISDBHSA-N 1 0 336.432 3.094 20 5 EGBDRO O=[N+]([O-])c1ccc(CN[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)c(F)c1 ZINC000594738057 459146156 /nfs/dbraw/zinc/14/61/56/459146156.db2.gz CKTBRMBIXPQWNO-SJLPKXTDSA-N 1 0 347.365 3.108 20 5 EGBDRO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000590603481 459159425 /nfs/dbraw/zinc/15/94/25/459159425.db2.gz YZQWFJLNMODNOD-OAHLLOKOSA-N 1 0 347.459 3.311 20 5 EGBDRO CC(C)c1ccc(C[NH2+]C2CCN([C@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000594992585 459209172 /nfs/dbraw/zinc/20/91/72/459209172.db2.gz GYUFQPFJHGRESL-KRWDZBQOSA-N 1 0 347.459 3.061 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H](CCO)c1ccccc1 ZINC000595024032 459219185 /nfs/dbraw/zinc/21/91/85/459219185.db2.gz DXCJWRYUFBAELQ-GOEBONIOSA-N 1 0 344.411 3.420 20 5 EGBDRO COCC[C@@H](Cc1ccco1)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595032347 459223365 /nfs/dbraw/zinc/22/33/65/459223365.db2.gz MYARKAXGVWRUJJ-KGLIPLIRSA-N 1 0 348.399 3.495 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H](C)C(=O)OC(C)(C)C ZINC000595047793 459228208 /nfs/dbraw/zinc/22/82/08/459228208.db2.gz TZAIADRAJZHSTD-NEPJUHHUSA-N 1 0 338.404 3.232 20 5 EGBDRO C[C@H]([NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)C1(CO)CC1 ZINC000595066504 459234943 /nfs/dbraw/zinc/23/49/43/459234943.db2.gz IBDJLTXRFFSDDC-KBXCAEBGSA-N 1 0 326.396 3.435 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]C[C@H](CO)CC1CC1 ZINC000595088143 459240411 /nfs/dbraw/zinc/24/04/11/459240411.db2.gz HKPGVCTZYJMUDI-SOLBZPMBSA-N 1 0 332.444 3.304 20 5 EGBDRO CNC(=O)CC1(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000595102179 459245602 /nfs/dbraw/zinc/24/56/02/459245602.db2.gz LALSUVJWXTXHOF-CQSZACIVSA-N 1 0 333.432 3.332 20 5 EGBDRO Cc1c([C@@H](C)[NH2+]CC(C)(C)[C@@]2(O)CCCOC2)cccc1[N+](=O)[O-] ZINC000595099953 459246113 /nfs/dbraw/zinc/24/61/13/459246113.db2.gz HHKWPJGEXPMANA-RDTXWAMCSA-N 1 0 336.432 3.122 20 5 EGBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2C[C@H](O)C[C@@H]2c2ccccc2)cc1 ZINC000591046178 459300296 /nfs/dbraw/zinc/30/02/96/459300296.db2.gz ASSNGYOCZWZYMC-IEBWSBKVSA-N 1 0 342.395 3.172 20 5 EGBDRO Cc1cc(NC(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC000591296403 459349061 /nfs/dbraw/zinc/34/90/61/459349061.db2.gz GYMWDLLSRFERBZ-LSDHHAIUSA-N 1 0 346.431 3.147 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000591509812 459394413 /nfs/dbraw/zinc/39/44/13/459394413.db2.gz AKPAGSNNNFYWTB-MRXNPFEDSA-N 1 0 345.443 3.302 20 5 EGBDRO O=C(NCC[NH2+]C1CC1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000591679221 459421080 /nfs/dbraw/zinc/42/10/80/459421080.db2.gz OMPWVFJFPQXORO-UHFFFAOYSA-N 1 0 349.456 3.111 20 5 EGBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000595748252 459424042 /nfs/dbraw/zinc/42/40/42/459424042.db2.gz QURUWMIJGHLWFD-JKSUJKDBSA-N 1 0 344.386 3.332 20 5 EGBDRO Cc1ccc(C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CCO)cc1 ZINC000541244968 459436137 /nfs/dbraw/zinc/43/61/37/459436137.db2.gz HXHMMVIXYYGNEF-GQCTYLIASA-N 1 0 326.396 3.411 20 5 EGBDRO Cc1ccc(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000485053706 459439948 /nfs/dbraw/zinc/43/99/48/459439948.db2.gz HVDKKOZDIAABEC-CQSZACIVSA-N 1 0 331.416 3.496 20 5 EGBDRO C[C@H](CNc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1)[N@H+](C)C1CC1 ZINC000485420462 459454814 /nfs/dbraw/zinc/45/48/14/459454814.db2.gz WYUYDNHHDRXWOQ-GFCCVEGCSA-N 1 0 344.390 3.112 20 5 EGBDRO CC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000595858621 459466018 /nfs/dbraw/zinc/46/60/18/459466018.db2.gz YCFOGEBVWXRAMC-QXMXGUDHSA-N 1 0 328.372 3.408 20 5 EGBDRO O=[N+]([O-])c1cncc(Cl)c1N1CCC(C[NH+]2CCCCC2)CC1 ZINC000596096819 459519961 /nfs/dbraw/zinc/51/99/61/459519961.db2.gz BIGDPKHFEBGSEJ-UHFFFAOYSA-N 1 0 338.839 3.346 20 5 EGBDRO CCCC[C@@H](C)[C@@H](C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000569848292 459520383 /nfs/dbraw/zinc/52/03/83/459520383.db2.gz QLFOCGNKLVEXLE-ZIAGYGMSSA-N 1 0 342.461 3.173 20 5 EGBDRO C[C@H]1OCC[C@]12CN(Cc1c(Cl)cccc1[N+](=O)[O-])C[C@@H](C)O2 ZINC000569915715 459529486 /nfs/dbraw/zinc/52/94/86/459529486.db2.gz QHARYUZTWZLHJB-HSMVNMDESA-N 1 0 340.807 3.017 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)CCC(C)(C)C ZINC000592144631 459536172 /nfs/dbraw/zinc/53/61/72/459536172.db2.gz FJDLLSZHSSXFPK-UHFFFAOYSA-N 1 0 337.420 3.300 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CCc2nc(C)ncc2C1 ZINC000526047036 459539174 /nfs/dbraw/zinc/53/91/74/459539174.db2.gz AOYXIBGFGOVNAC-OLXGIWCBSA-N 1 0 338.411 3.244 20 5 EGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](O)CCc1ccccc1 ZINC000542488198 459562328 /nfs/dbraw/zinc/56/23/28/459562328.db2.gz NJGCMZGLPBKXRP-QFBILLFUSA-N 1 0 342.439 3.499 20 5 EGBDRO CC[NH+](CC)[C@H](CNC(=O)c1cc(C)cc([N+](=O)[O-])c1)CC(C)C ZINC000498033792 459565766 /nfs/dbraw/zinc/56/57/66/459565766.db2.gz OPMISPQLFCFECT-KRWDZBQOSA-N 1 0 335.448 3.390 20 5 EGBDRO C[C@H]([NH3+])CCNC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000592294468 459572566 /nfs/dbraw/zinc/57/25/66/459572566.db2.gz DQXROWPXBBZUPH-NSHDSACASA-N 1 0 337.445 3.097 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000573017900 459611821 /nfs/dbraw/zinc/61/18/21/459611821.db2.gz UFQDRGRKGIOUQN-HNNXBMFYSA-N 1 0 349.456 3.059 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1C[C@H](C)[C@@H]2CCCC[C@H]21 ZINC000542980404 459615774 /nfs/dbraw/zinc/61/57/74/459615774.db2.gz RRZLVRGCCDGCJD-SOUVJXGZSA-N 1 0 331.416 3.352 20 5 EGBDRO C[N@H+](CCc1ccccc1)[C@H]1CCN(c2ccsc2[N+](=O)[O-])C1 ZINC000596467806 459647325 /nfs/dbraw/zinc/64/73/25/459647325.db2.gz ULZOGLSANNFURR-HNNXBMFYSA-N 1 0 331.441 3.410 20 5 EGBDRO COC(=O)C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000543463346 459660180 /nfs/dbraw/zinc/66/01/80/459660180.db2.gz KIKPECHCJDCAKN-QGZVFWFLSA-N 1 0 334.416 3.239 20 5 EGBDRO CCCN(C(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1)[C@H]1CC[N@H+](C)C1 ZINC000592829694 459700443 /nfs/dbraw/zinc/70/04/43/459700443.db2.gz VNHQPCFIGPKRCI-HNNXBMFYSA-N 1 0 333.432 3.275 20 5 EGBDRO Cc1c(NC(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC000596636879 459707928 /nfs/dbraw/zinc/70/79/28/459707928.db2.gz XZWPXZHWMICKDX-ZDUSSCGKSA-N 1 0 334.420 3.145 20 5 EGBDRO CC[C@H]1COC(C)(C)C[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000593056777 459758633 /nfs/dbraw/zinc/75/86/33/459758633.db2.gz PEKJHGHRBOCGMM-AWEZNQCLSA-N 1 0 349.431 3.121 20 5 EGBDRO Cc1cc(NC(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)ccc1[N+](=O)[O-] ZINC000574620715 459842087 /nfs/dbraw/zinc/84/20/87/459842087.db2.gz AVIQYGQVXLTGAZ-INIZCTEOSA-N 1 0 346.431 3.145 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1ccc(CN2CC[C@H]3C[NH2+]C[C@@H]3C2)s1 ZINC000574638091 459846110 /nfs/dbraw/zinc/84/61/10/459846110.db2.gz KVERDKRFHFOTIK-UONOGXRCSA-N 1 0 343.452 3.365 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC2(CCC2)CC1 ZINC000586783259 459871576 /nfs/dbraw/zinc/87/15/76/459871576.db2.gz RSZASDHWKRMXCK-UHFFFAOYSA-N 1 0 331.416 3.498 20 5 EGBDRO COc1ccccc1N1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000608782155 459881294 /nfs/dbraw/zinc/88/12/94/459881294.db2.gz JCZIBUTVOGMSBU-UHFFFAOYSA-N 1 0 341.411 3.362 20 5 EGBDRO COc1cc(C[NH2+]CC2=CCCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000597224410 459884419 /nfs/dbraw/zinc/88/44/19/459884419.db2.gz DYNRAOWSPYQHOS-UHFFFAOYSA-N 1 0 342.342 3.447 20 5 EGBDRO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)[C@@]12CCCO2 ZINC000546163588 459901245 /nfs/dbraw/zinc/90/12/45/459901245.db2.gz MQPBWYWAHMZDNM-RUGDWHBFSA-N 1 0 334.416 3.280 20 5 EGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@@H+](CCCCO)C1CC1 ZINC000602472482 459955503 /nfs/dbraw/zinc/95/55/03/459955503.db2.gz KVYISORKLRYMGD-UHFFFAOYSA-N 1 0 332.322 3.351 20 5 EGBDRO O=C(NC[C@H]1CCC[N@@H+]1CC1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000609444742 459962209 /nfs/dbraw/zinc/96/22/09/459962209.db2.gz UTRFYIUFAHDING-GOSISDBHSA-N 1 0 345.443 3.369 20 5 EGBDRO CCC[C@H]([NH2+]C[C@H]1CC(=O)N(C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000593718144 459962766 /nfs/dbraw/zinc/96/27/66/459962766.db2.gz LPNOUWONBASYJJ-DYVFJYSZSA-N 1 0 331.416 3.037 20 5 EGBDRO O=C(NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000609444744 459963254 /nfs/dbraw/zinc/96/32/54/459963254.db2.gz UTRFYIUFAHDING-SFHVURJKSA-N 1 0 345.443 3.369 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CC[C@@H](c4ccco4)C3)n2)cc1 ZINC000609540107 459977132 /nfs/dbraw/zinc/97/71/32/459977132.db2.gz QCGWZIFNMQCIFC-CYBMUJFWSA-N 1 0 340.339 3.227 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](c2ccco2)C1 ZINC000609539882 459977483 /nfs/dbraw/zinc/97/74/83/459977483.db2.gz GLXHEWGXOOLRQY-AWEZNQCLSA-N 1 0 343.383 3.314 20 5 EGBDRO COc1cccc(N2CC[C@@H]([NH2+]CCc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000602531805 459984482 /nfs/dbraw/zinc/98/44/82/459984482.db2.gz KQJGUFBWXSAUFB-MRXNPFEDSA-N 1 0 341.411 3.014 20 5 EGBDRO C[C@H]1C[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C[C@@H](C)C1 ZINC000602555189 459995548 /nfs/dbraw/zinc/99/55/48/459995548.db2.gz PEHSNOARAXNIBB-FOLVSLTJSA-N 1 0 332.448 3.373 20 5 EGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]C[C@H]1CCC[C@@H](O)C1 ZINC000602561153 459997053 /nfs/dbraw/zinc/99/70/53/459997053.db2.gz WJDZEZVIEVVSHJ-GXFFZTMASA-N 1 0 332.322 3.254 20 5 EGBDRO C[C@@H]1C[C@@H](NCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000602563388 459999736 /nfs/dbraw/zinc/99/97/36/459999736.db2.gz ZNFCUYJYFDVAOK-MFKMUULPSA-N 1 0 331.338 3.186 20 5 EGBDRO O=[N+]([O-])c1sc(C[NH2+]C[C@H]2CCCS2)cc1Br ZINC000602567017 460001421 /nfs/dbraw/zinc/00/14/21/460001421.db2.gz GTLZIVDSBAQHJQ-SSDOTTSWSA-N 1 0 337.264 3.404 20 5 EGBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC12CCC[NH+]1CCC2 ZINC000597586831 460001701 /nfs/dbraw/zinc/00/17/01/460001701.db2.gz JCIYDELSKKJZEO-UHFFFAOYSA-N 1 0 349.456 3.065 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N(C)CC[NH+]1CCCCC1 ZINC000593882336 460009059 /nfs/dbraw/zinc/00/90/59/460009059.db2.gz IALHDUARHRYJNF-UHFFFAOYSA-N 1 0 333.432 3.078 20 5 EGBDRO C[C@@H]([NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)[C@H]1CCCCO1 ZINC000602587178 460012287 /nfs/dbraw/zinc/01/22/87/460012287.db2.gz PICBTBYYCWYRRG-LDYMZIIASA-N 1 0 349.250 3.466 20 5 EGBDRO CC(C)c1ccc(C(=O)N2CCC[C@H](C)[C@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC000593916293 460017285 /nfs/dbraw/zinc/01/72/85/460017285.db2.gz PKRJHGXHMACWHP-XJKSGUPXSA-N 1 0 333.432 3.308 20 5 EGBDRO CC1(CO)CC[NH+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602612825 460022310 /nfs/dbraw/zinc/02/23/10/460022310.db2.gz RSUPTWNSVHPQRW-UHFFFAOYSA-N 1 0 332.322 3.208 20 5 EGBDRO CCOC(C)(C)C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602630006 460033171 /nfs/dbraw/zinc/03/31/71/460033171.db2.gz RNCQPKJKVUPLFR-UHFFFAOYSA-N 1 0 337.239 3.324 20 5 EGBDRO [NH3+]CCN(Cc1cnc(-c2ccccc2)nc1)c1ccccc1[N+](=O)[O-] ZINC000589190880 460049364 /nfs/dbraw/zinc/04/93/64/460049364.db2.gz OINYVJWHUPTOMH-UHFFFAOYSA-N 1 0 349.394 3.017 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000589189001 460049707 /nfs/dbraw/zinc/04/97/07/460049707.db2.gz RRLCKZVVXLDGFU-OMVNSRBRSA-N 1 0 344.333 3.387 20 5 EGBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]C[C@H]3CCOC4(CCC4)C3)nc2c1 ZINC000602676413 460059823 /nfs/dbraw/zinc/05/98/23/460059823.db2.gz PEOICLRIQFHZDX-LBPRGKRZSA-N 1 0 331.372 3.175 20 5 EGBDRO COc1ccc(C)cc1C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000618571474 460067311 /nfs/dbraw/zinc/06/73/11/460067311.db2.gz UJLPIOJLXCWZLM-JKSUJKDBSA-N 1 0 344.415 3.382 20 5 EGBDRO C[C@H]1CC[C@@H](C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)O1 ZINC000602691673 460069323 /nfs/dbraw/zinc/06/93/23/460069323.db2.gz ZGLMQCDFNNHCAE-YUMQZZPRSA-N 1 0 335.223 3.076 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@H]3CCC[C@H]3C3CC3)CC2)cn1 ZINC000602695939 460071411 /nfs/dbraw/zinc/07/14/11/460071411.db2.gz PAHFNWNEFIWEPB-QAPCUYQASA-N 1 0 344.459 3.375 20 5 EGBDRO Cc1c(NC(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)cccc1[N+](=O)[O-] ZINC000594056438 460076920 /nfs/dbraw/zinc/07/69/20/460076920.db2.gz CLPYKNLHVTVQJP-GOEBONIOSA-N 1 0 332.404 3.042 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000602767235 460113252 /nfs/dbraw/zinc/11/32/52/460113252.db2.gz SKNKXICCQPINAZ-UHFFFAOYSA-N 1 0 342.321 3.251 20 5 EGBDRO CCn1nncc1C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000598986394 460117876 /nfs/dbraw/zinc/11/78/76/460117876.db2.gz OCBJKMWESONOFD-UHFFFAOYSA-N 1 0 343.412 3.225 20 5 EGBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000594198303 460145634 /nfs/dbraw/zinc/14/56/34/460145634.db2.gz GLWLKNRCYKUPIQ-ZBFHGGJFSA-N 1 0 349.456 3.063 20 5 EGBDRO Cc1c([C@@H](C)[NH2+][C@@H]2Cc3ccccc3NC2=O)cccc1[N+](=O)[O-] ZINC000599073676 460151526 /nfs/dbraw/zinc/15/15/26/460151526.db2.gz HBGPZWAFIQALFX-MLGOLLRUSA-N 1 0 325.368 3.117 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)[C@H](C)CSc1ccccc1 ZINC000602862447 460164058 /nfs/dbraw/zinc/16/40/58/460164058.db2.gz JEGUFXMAAKKIRO-CYBMUJFWSA-N 1 0 334.445 3.212 20 5 EGBDRO COc1ccc(OCC[NH2+][C@H](C)c2cnc(C)s2)c([N+](=O)[O-])c1 ZINC000602958345 460201878 /nfs/dbraw/zinc/20/18/78/460201878.db2.gz WVEAFCHZXXWFBN-SNVBAGLBSA-N 1 0 337.401 3.098 20 5 EGBDRO Cc1cccc(C)c1OC[C@@H](O)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000610804527 460240423 /nfs/dbraw/zinc/24/04/23/460240423.db2.gz ZABVZTFHZLAMOH-QAPCUYQASA-N 1 0 344.411 3.302 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC(F)(F)C[C@@H]1C ZINC000599621816 460289983 /nfs/dbraw/zinc/28/99/83/460289983.db2.gz GPMIQDXBYGKSSK-LBPRGKRZSA-N 1 0 341.358 3.351 20 5 EGBDRO Cc1cc(C(=O)N(C)CCCC[NH+]2CCCCC2)cc([N+](=O)[O-])c1 ZINC000603406092 460298674 /nfs/dbraw/zinc/29/86/74/460298674.db2.gz FSWGFBRDZMDLGY-UHFFFAOYSA-N 1 0 333.432 3.241 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(CN3C[C@H]4C[NH2+]C[C@@H]4C3)o2)c(Cl)c1 ZINC000611287813 460330514 /nfs/dbraw/zinc/33/05/14/460330514.db2.gz PKVUXWYJZONPIQ-VXGBXAGGSA-N 1 0 347.802 3.159 20 5 EGBDRO C[C@@H]1CC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC12CCC2 ZINC000611303417 460334438 /nfs/dbraw/zinc/33/44/38/460334438.db2.gz JNEISLANSONTJU-CQSZACIVSA-N 1 0 331.416 3.070 20 5 EGBDRO COc1ccc(OCC[N@H+](C)Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000603845950 460346734 /nfs/dbraw/zinc/34/67/34/460346734.db2.gz CIXRKEQPBMRBCN-UHFFFAOYSA-N 1 0 330.384 3.423 20 5 EGBDRO O=[N+]([O-])c1cc(F)ccc1Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000603942677 460362486 /nfs/dbraw/zinc/36/24/86/460362486.db2.gz DRCHYHFVSYEFKU-UHFFFAOYSA-N 1 0 345.374 3.352 20 5 EGBDRO O=[N+]([O-])c1ccc(OCCNc2cc[nH+]c3c(O)cccc23)cc1 ZINC000619481044 460367282 /nfs/dbraw/zinc/36/72/82/460367282.db2.gz YTWHJBPLWACXOO-UHFFFAOYSA-N 1 0 325.324 3.340 20 5 EGBDRO O=[N+]([O-])c1sccc1N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000619501234 460370774 /nfs/dbraw/zinc/37/07/74/460370774.db2.gz ILOQNTOCPKLUKP-GASCZTMLSA-N 1 0 329.425 3.225 20 5 EGBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](C)c1ccccn1 ZINC000611469199 460371223 /nfs/dbraw/zinc/37/12/23/460371223.db2.gz VIEZEKIZKRBLOD-OLZOCXBDSA-N 1 0 328.372 3.058 20 5 EGBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCC(F)(F)C1 ZINC000611475890 460372648 /nfs/dbraw/zinc/37/26/48/460372648.db2.gz NWJBVRQURKBNME-CMPLNLGQSA-N 1 0 327.331 3.089 20 5 EGBDRO Cn1nc(C[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])c2ccccc21 ZINC000611499101 460377875 /nfs/dbraw/zinc/37/78/75/460377875.db2.gz UMSIQIZRNKINBK-UHFFFAOYSA-N 1 0 344.802 3.467 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1csc(N(C)C)n1 ZINC000615723947 460381441 /nfs/dbraw/zinc/38/14/41/460381441.db2.gz DOCAWZVVMKJKQR-GHXNOFRVSA-N 1 0 332.429 3.310 20 5 EGBDRO O=[N+]([O-])c1cccc(N2CC[NH+](Cc3ccc4cc[nH]c4c3)CC2)c1 ZINC000600112012 460385876 /nfs/dbraw/zinc/38/58/76/460385876.db2.gz IXOYIFFEKAEMKF-UHFFFAOYSA-N 1 0 336.395 3.398 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3ccc4cc[nH]c4c3)C2)nc1 ZINC000600114997 460387322 /nfs/dbraw/zinc/38/73/22/460387322.db2.gz CLPNZEIBNSSUQF-HNNXBMFYSA-N 1 0 337.383 3.158 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3ccc4[nH]ccc4c3)C2)nc1 ZINC000600116157 460389841 /nfs/dbraw/zinc/38/98/41/460389841.db2.gz LGAMVFVRDGGOBV-OAHLLOKOSA-N 1 0 337.383 3.158 20 5 EGBDRO COc1ccc([C@@H]([NH2+]CCn2c(C)ncc2[N+](=O)[O-])C(C)C)cc1 ZINC000611542838 460393305 /nfs/dbraw/zinc/39/33/05/460393305.db2.gz SLJGFAFQXHLAFF-KRWDZBQOSA-N 1 0 332.404 3.095 20 5 EGBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]C[C@@H]1CCCC(F)(F)C1)OCCO2 ZINC000619715513 460421057 /nfs/dbraw/zinc/42/10/57/460421057.db2.gz PHBVJCZZEDUKQY-LLVKDONJSA-N 1 0 342.342 3.281 20 5 EGBDRO C[C@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccsc1 ZINC000619746428 460430000 /nfs/dbraw/zinc/43/00/00/460430000.db2.gz UPKWWIIGHYUSKQ-NHYWBVRUSA-N 1 0 331.397 3.112 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]CCn2ccc(C(F)(F)F)n2)cc1[N+](=O)[O-] ZINC000601962549 460963900 /nfs/dbraw/zinc/96/39/00/460963900.db2.gz FEMZANWXFSQMNW-NSHDSACASA-N 1 0 342.321 3.469 20 5 EGBDRO Cc1c(C(=O)NC2CC[NH+](C3CCCCC3)CC2)cccc1[N+](=O)[O-] ZINC000177261680 533777080 /nfs/dbraw/zinc/77/70/80/533777080.db2.gz GZIZMBQOQBRLEW-UHFFFAOYSA-N 1 0 345.443 3.430 20 5 EGBDRO COC(=O)c1occc1CN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153313510 534381478 /nfs/dbraw/zinc/38/14/78/534381478.db2.gz HYRKJWFEZICEIU-UHFFFAOYSA-N 1 0 330.340 3.139 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@H](O)Cc1ccccc1)C1CC1 ZINC000131990770 534887531 /nfs/dbraw/zinc/88/75/31/534887531.db2.gz SONKVVNJRVEMDM-RTBURBONSA-N 1 0 340.423 3.109 20 5 EGBDRO CCOC[C@@H]([NH2+][C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C(C)C ZINC000189818294 528899377 /nfs/dbraw/zinc/89/93/77/528899377.db2.gz PHVUPLFEZGLEOF-SWLSCSKDSA-N 1 0 348.403 3.357 20 5 EGBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000345524617 535246100 /nfs/dbraw/zinc/24/61/00/535246100.db2.gz GMFVSQLEQQLETJ-QWHCGFSZSA-N 1 0 339.411 3.074 20 5 EGBDRO CN1CC[C@@H]([NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000729681686 574878092 /nfs/dbraw/zinc/87/80/92/574878092.db2.gz ILFAHBBYZIMTCK-OAHLLOKOSA-N 1 0 345.374 3.320 20 5 EGBDRO O=[N+]([O-])c1ccc2nc(NC3CC[NH+](CC4CC4)CC3)sc2c1 ZINC000731206821 575059917 /nfs/dbraw/zinc/05/99/17/575059917.db2.gz VEDKIJUDIXXVTK-UHFFFAOYSA-N 1 0 332.429 3.491 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H](CO)C3CC3)o2)c(Cl)c1 ZINC000734161461 575450173 /nfs/dbraw/zinc/45/01/73/575450173.db2.gz RYRJRALXQSWBRX-HNNXBMFYSA-N 1 0 336.775 3.369 20 5 EGBDRO CCO[C@H]1C[C@@H]([N@H+](C)Cn2ncc3ccc([N+](=O)[O-])cc32)C1(C)C ZINC000740862017 576630806 /nfs/dbraw/zinc/63/08/06/576630806.db2.gz UYMHOLXRGSFASM-CVEARBPZSA-N 1 0 332.404 3.037 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CCOC3CCC3)cs2)c1 ZINC000742385476 576777290 /nfs/dbraw/zinc/77/72/90/576777290.db2.gz GEGWVQAFIWJUEC-UHFFFAOYSA-N 1 0 333.413 3.377 20 5 EGBDRO CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC)C[C@@H](O)c1ccc(C)cc1 ZINC000743866642 576817647 /nfs/dbraw/zinc/81/76/47/576817647.db2.gz KANRVVKVHKLRIG-GOSISDBHSA-N 1 0 344.411 3.467 20 5 EGBDRO CN(C[C@@H]1CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000743867833 576817754 /nfs/dbraw/zinc/81/77/54/576817754.db2.gz VEXLKOPVGAZDPK-INIZCTEOSA-N 1 0 349.431 3.426 20 5 EGBDRO CC[C@H](C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)[NH+](CC)CC ZINC000750017222 1299324265 /nfs/dbraw/zinc/32/42/65/1299324265.db2.gz KECIFRLUMVROOF-OAHLLOKOSA-N 1 0 345.403 3.044 20 5 EGBDRO O=[N+]([O-])c1ccc(Br)cc1NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000087834197 1292747113 /nfs/dbraw/zinc/74/71/13/1292747113.db2.gz WUBOEJZZRBUNDR-JTQLQIEISA-N 1 0 340.221 3.254 20 5 EGBDRO CCOc1ccc([C@@H](C)[NH2+]CCc2nc(C(C)C)no2)cc1[N+](=O)[O-] ZINC000089577531 1292772456 /nfs/dbraw/zinc/77/24/56/1292772456.db2.gz IJQCTLNDMROXGP-GFCCVEGCSA-N 1 0 348.403 3.393 20 5 EGBDRO C[N@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)CC1(O)CCCC1 ZINC000093503049 1292923847 /nfs/dbraw/zinc/92/38/47/1292923847.db2.gz RVZYXMBGRLSYNI-UHFFFAOYSA-N 1 0 343.221 3.094 20 5 EGBDRO Cc1cc(Br)cc([N+](=O)[O-])c1OC[C@H]1CCC[NH2+]C1 ZINC000094296475 1292942596 /nfs/dbraw/zinc/94/25/96/1292942596.db2.gz KZCQXSPYAUHNTP-JTQLQIEISA-N 1 0 329.194 3.044 20 5 EGBDRO C[NH+](C)CCc1ccc(NC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])cc1 ZINC000102731310 1292982161 /nfs/dbraw/zinc/98/21/61/1292982161.db2.gz WHNRSUQWTSBEAZ-UHFFFAOYSA-N 1 0 349.337 3.229 20 5 EGBDRO CO[C@](C)(C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccccc1 ZINC000834885493 1293163642 /nfs/dbraw/zinc/16/36/42/1293163642.db2.gz WWAANHHFPZVSEH-SCLBCKFNSA-N 1 0 329.400 3.389 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2ncn(C[N@@H+]3CC[C@H](c4ccccc4)C3)n2)c1 ZINC000120245053 1293311839 /nfs/dbraw/zinc/31/18/39/1293311839.db2.gz QWEAKTFKAXSERX-KRWDZBQOSA-N 1 0 349.394 3.300 20 5 EGBDRO Cc1cc(F)cc(C(=O)NCc2cccc(C[NH+](C)C)c2)c1[N+](=O)[O-] ZINC000122032976 1293399133 /nfs/dbraw/zinc/39/91/33/1293399133.db2.gz OYIZXJJMBILOEM-UHFFFAOYSA-N 1 0 345.374 3.034 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)C[C@@H](O)c1ccco1 ZINC000130565877 1293661107 /nfs/dbraw/zinc/66/11/07/1293661107.db2.gz VKPMFRLJAFGSTP-SWLSCSKDSA-N 1 0 334.372 3.188 20 5 EGBDRO CC(C)C[C@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)N(C)C ZINC000131902895 1293703980 /nfs/dbraw/zinc/70/39/80/1293703980.db2.gz ZXKFVQXJQXMNFK-LJQANCHMSA-N 1 0 348.491 3.130 20 5 EGBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)C[NH+]1CCCCC1 ZINC000152691951 1293981091 /nfs/dbraw/zinc/98/10/91/1293981091.db2.gz VGMOKVYQIGFWTL-GFCCVEGCSA-N 1 0 339.823 3.100 20 5 EGBDRO C[C@@H]([NH2+][C@H](C)c1cccnc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000194721062 1296002036 /nfs/dbraw/zinc/00/20/36/1296002036.db2.gz CUTLQCQJTSOOID-GHMZBOCLSA-N 1 0 348.790 3.321 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000870994340 1296171506 /nfs/dbraw/zinc/17/15/06/1296171506.db2.gz PNOOTCQOIHUSSM-SFHVURJKSA-N 1 0 333.432 3.049 20 5 EGBDRO CC[C@H](NC(=O)C[C@H](C)C1CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000237010048 1296216305 /nfs/dbraw/zinc/21/63/05/1296216305.db2.gz PZRMMSARZTWCGE-GUYCJALGSA-N 1 0 333.432 3.188 20 5 EGBDRO C[C@H](c1nc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)no1)c1ccc([N+](=O)[O-])cc1F ZINC000871797328 1296539423 /nfs/dbraw/zinc/53/94/23/1296539423.db2.gz JRJAXQPUBUZQIU-YEJSDXFRSA-N 1 0 346.362 3.267 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H]2C[C@H]2c2nc(C3C[C@H]4CC[C@@H](C3)[NH2+]4)no2)cc1 ZINC000871800287 1296541622 /nfs/dbraw/zinc/54/16/22/1296541622.db2.gz CGKXZQRICLCJNP-INYYZSPWSA-N 1 0 340.383 3.247 20 5 EGBDRO COC[C@@]1(CNc2c(Cl)cc([N+](=O)[O-])cc2Cl)CCC[NH2+]1 ZINC000261757024 1296600185 /nfs/dbraw/zinc/60/01/85/1296600185.db2.gz UOOMTWLFYYBCEA-ZDUSSCGKSA-N 1 0 334.203 3.082 20 5 EGBDRO CC[C@@H](C)NC(=O)CC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872029648 1296675814 /nfs/dbraw/zinc/67/58/14/1296675814.db2.gz YXEOFYKJRITPKZ-NEPJUHHUSA-N 1 0 339.461 3.272 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]Cc1ccc(C[S@](C)=O)cc1 ZINC000873126687 1297283782 /nfs/dbraw/zinc/28/37/82/1297283782.db2.gz JVLXKXSEBKBKDV-DEOSSOPVSA-N 1 0 346.452 3.380 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000874248829 1297832374 /nfs/dbraw/zinc/83/23/74/1297832374.db2.gz KVMKVZQISBABHA-OAHLLOKOSA-N 1 0 333.432 3.062 20 5 EGBDRO CC(C)(C)OC(=O)N[C@H]1C[C@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000715141614 1298278096 /nfs/dbraw/zinc/27/80/96/1298278096.db2.gz QDVZJJSQSDDTRG-UMSPYCQHSA-N 1 0 341.433 3.049 20 5 EGBDRO C[C@@H]([NH2+]C[C@]1(O)CCCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000746046579 1298516767 /nfs/dbraw/zinc/51/67/67/1298516767.db2.gz AIMOPQCSURYJBA-AUUYWEPGSA-N 1 0 326.396 3.470 20 5 EGBDRO C[NH+](C)[C@]1(CNc2nc3ccc([N+](=O)[O-])cc3s2)CCSC1 ZINC000748280724 1298974182 /nfs/dbraw/zinc/97/41/82/1298974182.db2.gz DJOHLWGAALDYEQ-AWEZNQCLSA-N 1 0 338.458 3.054 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000876860172 1299038082 /nfs/dbraw/zinc/03/80/82/1299038082.db2.gz UPJUAXUGNQWDBU-HZPDHXFCSA-N 1 0 345.443 3.063 20 5 EGBDRO O=[N+]([O-])c1cc(F)c(N2CCC[N@@H+](C3CCCC3)CC2)c(F)c1 ZINC000749320367 1299191776 /nfs/dbraw/zinc/19/17/76/1299191776.db2.gz QRZYQXCPYWHXHN-UHFFFAOYSA-N 1 0 325.359 3.328 20 5 EGBDRO O=C(NC1CCC([NH+]2CCCCC2)CC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000750858570 1299465370 /nfs/dbraw/zinc/46/53/70/1299465370.db2.gz ACXGTOGQKSAIMK-UHFFFAOYSA-N 1 0 349.406 3.261 20 5 EGBDRO CO[C@]1(C)C[C@H]([N@H+](C)Cn2ncc3ccc([N+](=O)[O-])cc32)C1(C)C ZINC000751933433 1299657196 /nfs/dbraw/zinc/65/71/96/1299657196.db2.gz JPJRLWQAYWTPMS-DOTOQJQBSA-N 1 0 332.404 3.037 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1nnc(C[N@@H+]2CC[C@@H](c3ccco3)C2)o1 ZINC000878095009 1299745097 /nfs/dbraw/zinc/74/50/97/1299745097.db2.gz ZFOJNNLYSHWUBK-GFCCVEGCSA-N 1 0 340.339 3.227 20 5 EGBDRO CC[C@@]1(C)CCC[N@H+](CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)C1 ZINC000752790759 1299796279 /nfs/dbraw/zinc/79/62/79/1299796279.db2.gz DDTGIBSZGNTNFV-SFHVURJKSA-N 1 0 346.431 3.306 20 5 EGBDRO CCc1ccc([C@H](N[C@H]2CC[N@H+](C)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000753655472 1300002066 /nfs/dbraw/zinc/00/20/66/1300002066.db2.gz TZQOFUHYUHBQOS-KBXCAEBGSA-N 1 0 329.400 3.133 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1nnc(C[N@H+](CC2CC2)C2CCC2)o1 ZINC000878544192 1300063242 /nfs/dbraw/zinc/06/32/42/1300063242.db2.gz NTRZITWHEWOBFR-UHFFFAOYSA-N 1 0 328.372 3.409 20 5 EGBDRO CCC1(CC)CC[N@H+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C1 ZINC000755930543 1300418043 /nfs/dbraw/zinc/41/80/43/1300418043.db2.gz JGHGJXXBFZKLGQ-UHFFFAOYSA-N 1 0 329.404 3.323 20 5 EGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C1COC(C)(C)OC1 ZINC000757699387 1300714020 /nfs/dbraw/zinc/71/40/20/1300714020.db2.gz VQEWAZFNWSFPJR-LBPRGKRZSA-N 1 0 340.445 3.207 20 5 EGBDRO CC(C)(O)[C@H]1CCC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000879962755 1300810744 /nfs/dbraw/zinc/81/07/44/1300810744.db2.gz AUBYOBLTPZUNSS-AWEZNQCLSA-N 1 0 345.399 3.233 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C3Cc4ccccc4C3)CC2)cc1 ZINC000762776241 1301746437 /nfs/dbraw/zinc/74/64/37/1301746437.db2.gz DLCTUWNVZCHTIR-UHFFFAOYSA-N 1 0 337.423 3.321 20 5 EGBDRO Cc1cnc(C2CC[NH+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)CC2)s1 ZINC000763965879 1301991083 /nfs/dbraw/zinc/99/10/83/1301991083.db2.gz ZKFBGLQYXNDFAE-MRXNPFEDSA-N 1 0 347.440 3.273 20 5 EGBDRO Cc1ccc(C[NH2+]Cc2cccc(C3(C)OCCO3)c2)cc1[N+](=O)[O-] ZINC000883127586 1302263355 /nfs/dbraw/zinc/26/33/55/1302263355.db2.gz ZDZYETIKOYZCCX-UHFFFAOYSA-N 1 0 342.395 3.413 20 5 EGBDRO CCC[C@@H]([NH2+][C@H]1CCCN(C(=O)OC)C1)c1cccc([N+](=O)[O-])c1 ZINC000765628752 1302293020 /nfs/dbraw/zinc/29/30/20/1302293020.db2.gz FCONHKUJZBLLTB-GOEBONIOSA-N 1 0 335.404 3.256 20 5 EGBDRO Cc1ccc(NC(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)cc1[N+](=O)[O-] ZINC000765665099 1302299856 /nfs/dbraw/zinc/29/98/56/1302299856.db2.gz YXIGDKJAASOXBA-OAHLLOKOSA-N 1 0 332.404 3.042 20 5 EGBDRO CC[C@@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1OC ZINC000765850270 1302338713 /nfs/dbraw/zinc/33/87/13/1302338713.db2.gz WROSCSRRENJMSE-IAGOWNOFSA-N 1 0 330.384 3.378 20 5 EGBDRO CC1(C)CCC[N@H+](CCNC(=S)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000766536816 1302471435 /nfs/dbraw/zinc/47/14/35/1302471435.db2.gz GLJACJMJDBLTCW-UHFFFAOYSA-N 1 0 336.461 3.003 20 5 EGBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1ncc([N+](=O)[O-])c2ccccc21 ZINC000884506702 1302887968 /nfs/dbraw/zinc/88/79/68/1302887968.db2.gz KPQSBDCQDDXLNJ-ZIAGYGMSSA-N 1 0 326.400 3.206 20 5 EGBDRO Cc1ccc(C[NH+]2C[C@@H]3CN(c4ccccc4)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000768980104 1303026796 /nfs/dbraw/zinc/02/67/96/1303026796.db2.gz FTWAYCHDVFBMCS-QZTJIDSGSA-N 1 0 337.423 3.471 20 5 EGBDRO C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1F)[C@@H](c1ccccc1)[NH+](C)C ZINC000770052036 1303212568 /nfs/dbraw/zinc/21/25/68/1303212568.db2.gz VETRYYBBLKNKSD-SJCJKPOMSA-N 1 0 345.374 3.155 20 5 EGBDRO O=C(OCC[NH+]1CCCCC1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000770386477 1303259555 /nfs/dbraw/zinc/25/95/55/1303259555.db2.gz ACRHUPXVLYIRBX-UHFFFAOYSA-N 1 0 346.305 3.256 20 5 EGBDRO O=[N+]([O-])c1ncccc1CN1CC[C@H](Oc2ccccc2Cl)C1 ZINC000886083399 1303349981 /nfs/dbraw/zinc/34/99/81/1303349981.db2.gz JGXXBUPDYOFMRX-ZDUSSCGKSA-N 1 0 333.775 3.297 20 5 EGBDRO O=[N+]([O-])c1ncccc1C[NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000886114053 1303359860 /nfs/dbraw/zinc/35/98/60/1303359860.db2.gz GFIHWZXJHIBTES-KRWDZBQOSA-N 1 0 341.367 3.002 20 5 EGBDRO C[N@@H+]1CCCC12CCN(c1nc3ccc([N+](=O)[O-])cc3s1)CC2 ZINC000775483724 1303970651 /nfs/dbraw/zinc/97/06/51/1303970651.db2.gz RMWXPELOBMZDHA-UHFFFAOYSA-N 1 0 332.429 3.269 20 5 EGBDRO COc1ccccc1C[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000776275780 1304126593 /nfs/dbraw/zinc/12/65/93/1304126593.db2.gz HUQWAFPKCKNBSG-GOSISDBHSA-N 1 0 342.395 3.301 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC[C@@H]2Cc2ccccc2)cc1 ZINC000776280462 1304127479 /nfs/dbraw/zinc/12/74/79/1304127479.db2.gz ZVVLXANZWTZPLP-RTBURBONSA-N 1 0 326.396 3.335 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH+]2CCC(OC3CCCCC3)CC2)cc1 ZINC000776579076 1304174089 /nfs/dbraw/zinc/17/40/89/1304174089.db2.gz IQXAOKOSHBJHDK-LJQANCHMSA-N 1 0 348.443 3.442 20 5 EGBDRO CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000776822384 1304205797 /nfs/dbraw/zinc/20/57/97/1304205797.db2.gz JQEZIDWFEWJRQP-ZBFHGGJFSA-N 1 0 349.431 3.250 20 5 EGBDRO Cc1cc(C)c2c(c1)C[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000776856792 1304212247 /nfs/dbraw/zinc/21/22/47/1304212247.db2.gz POKZNNCETXHVCH-IBGZPJMESA-N 1 0 326.396 3.303 20 5 EGBDRO CC(C)[C@H]1CCC[N@H+](CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)C1 ZINC000780499268 1304701507 /nfs/dbraw/zinc/70/15/07/1304701507.db2.gz QPZXCKLWFGHCGT-HNNXBMFYSA-N 1 0 346.431 3.162 20 5 EGBDRO C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1)C1=CC[N@H+](C)CC1 ZINC000781441008 1304828294 /nfs/dbraw/zinc/82/82/94/1304828294.db2.gz OEZYFSOMCKLGBQ-SNVBAGLBSA-N 1 0 338.795 3.020 20 5 EGBDRO C[C@@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC(C)(C)C1 ZINC000782531599 1304986563 /nfs/dbraw/zinc/98/65/63/1304986563.db2.gz XGCGRCNAHOAUEJ-LBPRGKRZSA-N 1 0 337.395 3.431 20 5 EGBDRO COC(=O)CCC1CC[NH+](Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000783565751 1305108357 /nfs/dbraw/zinc/10/83/57/1305108357.db2.gz WNZLHQYFHWIJRJ-UHFFFAOYSA-N 1 0 340.807 3.413 20 5 EGBDRO CCCO[C@H]1CCC[N@H+](Cc2ccc(O)c(OC)c2[N+](=O)[O-])CC1 ZINC000892008808 1305228917 /nfs/dbraw/zinc/22/89/17/1305228917.db2.gz WKHGJMVDYQZBDU-AWEZNQCLSA-N 1 0 338.404 3.090 20 5 EGBDRO Cc1cccc([C@H]2CC[N@H+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000784478465 1305248706 /nfs/dbraw/zinc/24/87/06/1305248706.db2.gz CESJHLOAXUGFIN-PKOBYXMFSA-N 1 0 326.396 3.426 20 5 EGBDRO CCCOc1ccc(C[NH2+]Cc2ccc(O)c(OC)c2[N+](=O)[O-])cc1 ZINC000892608243 1305468887 /nfs/dbraw/zinc/46/88/87/1305468887.db2.gz OGYSELNIWCUNPL-UHFFFAOYSA-N 1 0 346.383 3.388 20 5 EGBDRO COc1c(O)ccc(C[NH2+][C@@H](C)COc2cccc(C)c2)c1[N+](=O)[O-] ZINC000892664011 1305493744 /nfs/dbraw/zinc/49/37/44/1305493744.db2.gz ZYSHFEJOJAQWFA-ZDUSSCGKSA-N 1 0 346.383 3.175 20 5 EGBDRO C[C@@H]([NH2+]C[C@H](C)N(C)Cc1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788593876 1305976779 /nfs/dbraw/zinc/97/67/79/1305976779.db2.gz SMRPSYIHXXSKKP-LSDHHAIUSA-N 1 0 342.443 3.348 20 5 EGBDRO C[C@H]([NH2+]C[C@@](C)(O)c1cccc(Cl)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788750387 1306007686 /nfs/dbraw/zinc/00/76/86/1306007686.db2.gz NHURRRBPBQOLQU-APPDUMDISA-N 1 0 349.818 3.389 20 5 EGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]CCO[C@@H]1CCCCO1 ZINC000894792864 1309073861 /nfs/dbraw/zinc/07/38/61/1309073861.db2.gz DYAFLZSCJYUAMJ-CQSZACIVSA-N 1 0 348.321 3.246 20 5 EGBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2c1ccc([N+](=O)[O-])cc1Br ZINC000895193571 1309232563 /nfs/dbraw/zinc/23/25/63/1309232563.db2.gz WUHYEGOJCHVJKE-CMPLNLGQSA-N 1 0 340.221 3.030 20 5 EGBDRO C[C@]12CC[N@H+](CCOc3ccccc3[N+](=O)[O-])C[C@H]1C2(Cl)Cl ZINC000792903369 1309255405 /nfs/dbraw/zinc/25/54/05/1309255405.db2.gz NVRZGUQUZKQAHZ-KGLIPLIRSA-N 1 0 345.226 3.489 20 5 EGBDRO C[C@]12CC[N@H+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C[C@H]1C2(Cl)Cl ZINC000792909162 1309257142 /nfs/dbraw/zinc/25/71/42/1309257142.db2.gz SRBUJZWCYPOLIK-MCIONIFRSA-N 1 0 345.226 3.144 20 5 EGBDRO CCOC(=O)C1CCC([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000895826618 1309540250 /nfs/dbraw/zinc/54/02/50/1309540250.db2.gz YJZPHLMVQHXXPH-UHFFFAOYSA-N 1 0 340.807 3.460 20 5 EGBDRO C[C@@H]1CC[N@H+](Cn2c(=O)oc3cccc([N+](=O)[O-])c32)[C@@H]2CCCC[C@@H]12 ZINC000794619319 1309556622 /nfs/dbraw/zinc/55/66/22/1309556622.db2.gz IAIBDJUGJAOVKY-HZSPNIEDSA-N 1 0 345.399 3.361 20 5 EGBDRO CC(C)([NH2+]C[C@H](O)c1ccc(F)c(F)c1)c1ccccc1[N+](=O)[O-] ZINC000795219331 1309699739 /nfs/dbraw/zinc/69/97/39/1309699739.db2.gz FMXFPXFNSRKSJH-INIZCTEOSA-N 1 0 336.338 3.431 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CC[C@@H](C3OCCO3)C2)o1 ZINC000896384545 1309832675 /nfs/dbraw/zinc/83/26/75/1309832675.db2.gz MSFCAGOWROIGBB-CYBMUJFWSA-N 1 0 344.367 3.050 20 5 EGBDRO O=C(OCCC[NH+]1CCCCC1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000800191939 1310696692 /nfs/dbraw/zinc/69/66/92/1310696692.db2.gz LRGQKIZDQDWMMM-UHFFFAOYSA-N 1 0 343.383 3.176 20 5 EGBDRO Cc1cc(F)cc2c1C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000800472635 1310765069 /nfs/dbraw/zinc/76/50/69/1310765069.db2.gz WPTSWMQFLSGBGL-SFHVURJKSA-N 1 0 330.359 3.134 20 5 EGBDRO C[C@]1(C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1(Cl)Cl ZINC000824766526 1320283967 /nfs/dbraw/zinc/28/39/67/1320283967.db2.gz VKACAWVZMNKTSB-CYBMUJFWSA-N 1 0 347.198 3.040 20 5 EGBDRO CO[C@@H]1C[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C12CCC2 ZINC000839183811 1320888799 /nfs/dbraw/zinc/88/87/99/1320888799.db2.gz ZQBZJUSPJHPDAR-QZTJIDSGSA-N 1 0 345.443 3.111 20 5 EGBDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000857327549 1328528558 /nfs/dbraw/zinc/52/85/58/1328528558.db2.gz SVOCEAMPUNGFFS-GFCCVEGCSA-N 1 0 339.823 3.098 20 5 EGBDRO CC(C)[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000929726421 1328679899 /nfs/dbraw/zinc/67/98/99/1328679899.db2.gz VTBPOFDUTZLJPV-ZWKOTPCHSA-N 1 0 345.443 3.030 20 5 EGBDRO C[NH+](C)[C@@H](CNc1c([N+](=O)[O-])cccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000804361077 1317223543 /nfs/dbraw/zinc/22/35/43/1317223543.db2.gz YZSZRHGIMBLEOL-HNNXBMFYSA-N 1 0 348.334 3.357 20 5 EGBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Nc1ccc(N)cc1[N+](=O)[O-] ZINC000804616249 1317267893 /nfs/dbraw/zinc/26/78/93/1317267893.db2.gz LZDQFSYHWMJFJL-GUYCJALGSA-N 1 0 326.400 3.109 20 5 EGBDRO Cc1ccc(Cn2cc(C[NH+](C(C)C)C(C)C)nn2)cc1[N+](=O)[O-] ZINC000900528209 1317300875 /nfs/dbraw/zinc/30/08/75/1317300875.db2.gz SYYVBYXYZAUPPV-UHFFFAOYSA-N 1 0 331.420 3.162 20 5 EGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1Cc2ccccc2[C@H]1N ZINC000902436592 1317579162 /nfs/dbraw/zinc/57/91/62/1317579162.db2.gz CEFDDMZXMGKFAI-OMWUSAIZSA-N 1 0 325.412 3.130 20 5 EGBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]Cc2nc3c(s2)CCC3)n1 ZINC000903191470 1317670301 /nfs/dbraw/zinc/67/03/01/1317670301.db2.gz XNMAVWAOMLCBNE-YPMHNXCESA-N 1 0 347.444 3.010 20 5 EGBDRO CN(C)c1cc[nH+]c(CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000903198338 1317671997 /nfs/dbraw/zinc/67/19/97/1317671997.db2.gz JBFDMWVDRKNZGX-SFHVURJKSA-N 1 0 326.400 3.223 20 5 EGBDRO Cc1nc2ccccn2c1C[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000903422483 1317698766 /nfs/dbraw/zinc/69/87/66/1317698766.db2.gz MQWQITBOFHHJNO-GFCCVEGCSA-N 1 0 342.374 3.411 20 5 EGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@@H]2CCCN2CC(F)F)c1 ZINC000858231957 1328717908 /nfs/dbraw/zinc/71/79/08/1328717908.db2.gz RGHRVXMARCBBQB-LBPRGKRZSA-N 1 0 333.766 3.067 20 5 EGBDRO COc1cc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)ccc1SC ZINC000809734751 1317883480 /nfs/dbraw/zinc/88/34/80/1317883480.db2.gz KOMGBYVNRNRFQK-UHFFFAOYSA-N 1 0 347.440 3.291 20 5 EGBDRO [NH3+]CCN(C/C=C/c1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000809736303 1317884913 /nfs/dbraw/zinc/88/49/13/1317884913.db2.gz ODGCOYDZEAERBD-OWOJBTEDSA-N 1 0 333.338 3.352 20 5 EGBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C[C@@H]1C ZINC000809913630 1317916524 /nfs/dbraw/zinc/91/65/24/1317916524.db2.gz PVEBWRUJYGBLGT-WDEREUQCSA-N 1 0 340.811 3.195 20 5 EGBDRO C[N@@H+](Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C[C@H]1CCC[C@@H]1O ZINC000809965622 1317926492 /nfs/dbraw/zinc/92/64/92/1317926492.db2.gz JDNSEZPNTZAVFC-RNCFNFMXSA-N 1 0 333.215 3.494 20 5 EGBDRO CC(C)[N@@H+](Cc1ccc(NCC[N+](=O)[O-])cc1)C[C@@H]1CCCCO1 ZINC000905328238 1317949755 /nfs/dbraw/zinc/94/97/55/1317949755.db2.gz GLWRYKACVOWDLX-SFHVURJKSA-N 1 0 335.448 3.155 20 5 EGBDRO CC(C)(C(=O)O[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000810845770 1318063261 /nfs/dbraw/zinc/06/32/61/1318063261.db2.gz VSTTUARFWBHSRD-HOTGVXAUSA-N 1 0 332.400 3.042 20 5 EGBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1CCN(C2CC2)C1 ZINC000811478317 1318182173 /nfs/dbraw/zinc/18/21/73/1318182173.db2.gz GLQKXANFZIWHRQ-LLVKDONJSA-N 1 0 330.215 3.228 20 5 EGBDRO CC[N@@H+]1CCCN(C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000910278947 1318592870 /nfs/dbraw/zinc/59/28/70/1318592870.db2.gz HFMZUZJGGDLVNL-CQSZACIVSA-N 1 0 333.432 3.275 20 5 EGBDRO C[N@@H+]1CC[C@]2(CCN(c3c(Cl)cc([N+](=O)[O-])cc3Cl)C2)C1 ZINC000813634066 1318611217 /nfs/dbraw/zinc/61/12/17/1318611217.db2.gz CCCUHTWVVOIPRD-AWEZNQCLSA-N 1 0 330.215 3.434 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CC3CC(F)(F)C3)CC2)cc1 ZINC000813873266 1318647445 /nfs/dbraw/zinc/64/74/45/1318647445.db2.gz UWRHYQYECAJWDK-UHFFFAOYSA-N 1 0 325.359 3.199 20 5 EGBDRO C[C@@H](O)C[C@@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Br ZINC000930081616 1328780858 /nfs/dbraw/zinc/78/08/58/1328780858.db2.gz NNVPWGGPAQUYOA-PWSUYJOCSA-N 1 0 343.221 3.093 20 5 EGBDRO COc1ccc2c(c1)OCC[C@H]2[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815583721 1319020476 /nfs/dbraw/zinc/02/04/76/1319020476.db2.gz MSKKQPJUQSGPHT-BDJLRTHQSA-N 1 0 343.383 3.360 20 5 EGBDRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccccc2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815580616 1319020785 /nfs/dbraw/zinc/02/07/85/1319020785.db2.gz NJRAIYAXICBEJM-GDBMZVCRSA-N 1 0 340.427 3.497 20 5 EGBDRO COc1ccc2c(c1)CC[C@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)C2 ZINC000815615823 1319028844 /nfs/dbraw/zinc/02/88/44/1319028844.db2.gz YIXQKXXWXHGJBJ-LRDDRELGSA-N 1 0 341.411 3.394 20 5 EGBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)C1(F)CCCCC1 ZINC001022930626 1319174407 /nfs/dbraw/zinc/17/44/07/1319174407.db2.gz GXIQDIGVEBVSAK-GASCZTMLSA-N 1 0 349.406 3.004 20 5 EGBDRO C[C@H]1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccccc3[N+](=O)[O-])C2)CC1 ZINC001022998205 1319206830 /nfs/dbraw/zinc/20/68/30/1319206830.db2.gz ATGQDNIGGMWFPR-VDRDKEFESA-N 1 0 345.443 3.158 20 5 EGBDRO Cc1ccc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3csc([N+](=O)[O-])c3)C2)cc1 ZINC001023013291 1319219026 /nfs/dbraw/zinc/21/90/26/1319219026.db2.gz NZSUZUXHANXXFJ-GASCZTMLSA-N 1 0 345.424 3.015 20 5 EGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1nn(CC)nc1C ZINC000818345944 1319533876 /nfs/dbraw/zinc/53/38/76/1319533876.db2.gz YOWLYQSFOLQHLK-CYBMUJFWSA-N 1 0 349.460 3.175 20 5 EGBDRO CCc1cccc2c1OCC[C@@H]2[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000818997628 1319610104 /nfs/dbraw/zinc/61/01/04/1319610104.db2.gz HLMGZPXRAQPUMR-ROUUACIJSA-N 1 0 342.395 3.304 20 5 EGBDRO COc1cc(Cl)ccc1C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819040339 1319620138 /nfs/dbraw/zinc/62/01/38/1319620138.db2.gz WOJSNHKHXLGNGD-OAHLLOKOSA-N 1 0 336.775 3.080 20 5 EGBDRO CC[C@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)Oc1cccc(C)c1 ZINC000819136552 1319644846 /nfs/dbraw/zinc/64/48/46/1319644846.db2.gz KSRJWFBKWKOPJJ-IEBWSBKVSA-N 1 0 344.411 3.384 20 5 EGBDRO CCOCCC1(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000819158551 1319652788 /nfs/dbraw/zinc/65/27/88/1319652788.db2.gz SREDZSTWEQUSTD-KRWDZBQOSA-N 1 0 336.432 3.205 20 5 EGBDRO CC1(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)Cc2ccccc2C1 ZINC000819202762 1319667100 /nfs/dbraw/zinc/66/71/00/1319667100.db2.gz OHARGUTUAUFMCP-GOSISDBHSA-N 1 0 326.396 3.023 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@H]2CCCOc3c(F)cccc32)cc1 ZINC000819215301 1319670991 /nfs/dbraw/zinc/67/09/91/1319670991.db2.gz XNXXDQMEQPRGBN-IRXDYDNUSA-N 1 0 346.358 3.271 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@H]2CCC3(CCCCC3)O2)cc1 ZINC000819259028 1319682039 /nfs/dbraw/zinc/68/20/39/1319682039.db2.gz DOVNFHVDPFVVLV-SJORKVTESA-N 1 0 334.416 3.100 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@H]2CCC3(CCCCC3)O2)c1 ZINC000819261801 1319682673 /nfs/dbraw/zinc/68/26/73/1319682673.db2.gz NKRVILDSDJMGJH-IAGOWNOFSA-N 1 0 334.416 3.100 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2CCCc3ccc(F)cc32)cc1 ZINC000819277225 1319686552 /nfs/dbraw/zinc/68/65/52/1319686552.db2.gz DYQFXPDLRDQFIO-QZTJIDSGSA-N 1 0 330.359 3.435 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H]2C[C@H]2c2ccc(Cl)cc2)c1 ZINC000819281567 1319688156 /nfs/dbraw/zinc/68/81/56/1319688156.db2.gz KLAGCRPSHUHDJN-BBWFWOEESA-N 1 0 332.787 3.427 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](O)CNC[C@@H]2CCC[N@@H+]2C2CCCCC2)cc1 ZINC000819285918 1319689432 /nfs/dbraw/zinc/68/94/32/1319689432.db2.gz JMWDGSZFZMWQMI-OALUTQOASA-N 1 0 347.459 3.015 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](O)CNC[C@@H]2CCC[N@@H+]2C2CCCCC2)c1 ZINC000819286632 1319690563 /nfs/dbraw/zinc/69/05/63/1319690563.db2.gz PYSDWPYHXIKDBB-OALUTQOASA-N 1 0 347.459 3.015 20 5 EGBDRO C[C@@H](CCOCc1ccccc1)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819314282 1319694010 /nfs/dbraw/zinc/69/40/10/1319694010.db2.gz WNJYJSQKAGYLRP-KXBFYZLASA-N 1 0 344.411 3.213 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@@H]2CCCCC(F)(F)C2)c1 ZINC000819326162 1319698465 /nfs/dbraw/zinc/69/84/65/1319698465.db2.gz OECDUZPGENUQRB-DOMZBBRYSA-N 1 0 328.359 3.433 20 5 EGBDRO C[C@H]1CCC[C@H]([N@H+](C)Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000917427998 1319809277 /nfs/dbraw/zinc/80/92/77/1319809277.db2.gz DQKDSZNEQCMYLG-ZFWWWQNUSA-N 1 0 329.404 3.321 20 5 EGBDRO COc1cc(N2CCC[N@@H+](C3CCCC3)CC2)c([N+](=O)[O-])cc1C ZINC000820664709 1319930794 /nfs/dbraw/zinc/93/07/94/1319930794.db2.gz QPKHOVVTLOKTNX-UHFFFAOYSA-N 1 0 333.432 3.367 20 5 EGBDRO C[C@@H]1CSC[C@H]1[NH2+]Cc1c(Br)cccc1[N+](=O)[O-] ZINC000930456358 1328860433 /nfs/dbraw/zinc/86/04/33/1328860433.db2.gz SGVGMQNBGKRFIM-LDYMZIIASA-N 1 0 331.235 3.198 20 5 EGBDRO CC(C)(C)[NH2+]CCC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000821457279 1320014679 /nfs/dbraw/zinc/01/46/79/1320014679.db2.gz YQZKGXYKODJWNS-HNNXBMFYSA-N 1 0 333.432 3.079 20 5 EGBDRO [NH3+]CC1(Cc2nc(Cc3ccccc3[N+](=O)[O-])no2)CCCCC1 ZINC000822646855 1320107236 /nfs/dbraw/zinc/10/72/36/1320107236.db2.gz KYDMWPNWNFKZDJ-UHFFFAOYSA-N 1 0 330.388 3.020 20 5 EGBDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1cc(Cl)c(C)cc1[N+](=O)[O-] ZINC000836587687 1320508146 /nfs/dbraw/zinc/50/81/46/1320508146.db2.gz JUDJQMKNTGQXDU-NSHDSACASA-N 1 0 327.812 3.017 20 5 EGBDRO CC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1Br)[C@@H]1CCCO1 ZINC000839552651 1320936525 /nfs/dbraw/zinc/93/65/25/1320936525.db2.gz SECQRZJHFNZJPS-AAEUAGOBSA-N 1 0 343.221 3.405 20 5 EGBDRO CO[C@H]1C[C@@H]([N@H+](C)Cn2nc(C)c3cc([N+](=O)[O-])ccc32)C12CCC2 ZINC000840144436 1321037794 /nfs/dbraw/zinc/03/77/94/1321037794.db2.gz YYAJSIXDZUEEKN-SJORKVTESA-N 1 0 344.415 3.100 20 5 EGBDRO CC(=O)c1ccc(N(CC[NH+](C)C)Cc2ccsc2)c([N+](=O)[O-])c1 ZINC000840344495 1321076378 /nfs/dbraw/zinc/07/63/78/1321076378.db2.gz JNQUAYFQXGBTTB-UHFFFAOYSA-N 1 0 347.440 3.427 20 5 EGBDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841102388 1321218955 /nfs/dbraw/zinc/21/89/55/1321218955.db2.gz BCVVYXPSRTUQKQ-GFCCVEGCSA-N 1 0 328.800 3.085 20 5 EGBDRO [NH3+]C[C@H]1CC[C@H](CNC(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000841233569 1321236952 /nfs/dbraw/zinc/23/69/52/1321236952.db2.gz YGIQVCUSONDSKD-XYPYZODXSA-N 1 0 340.811 3.135 20 5 EGBDRO CC(C)[N@@H+]1CCC[C@H](COC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000842832221 1321438292 /nfs/dbraw/zinc/43/82/92/1321438292.db2.gz AZDVGNBBRCFMIT-ZDUSSCGKSA-N 1 0 345.399 3.353 20 5 EGBDRO Cc1c(-c2noc(CC3C[C@H]4CC[C@@H](C3)[NH2+]4)n2)cccc1[N+](=O)[O-] ZINC000843238543 1321494512 /nfs/dbraw/zinc/49/45/12/1321494512.db2.gz UKRVPFHAEWNAFC-YHWZYXNKSA-N 1 0 328.372 3.026 20 5 EGBDRO C[N@@H+]1CCCC12CCN(c1cc(Cl)c(F)cc1[N+](=O)[O-])CC2 ZINC000845509903 1321714635 /nfs/dbraw/zinc/71/46/35/1321714635.db2.gz AKJOEZVPJDSFLC-UHFFFAOYSA-N 1 0 327.787 3.452 20 5 EGBDRO CC(C)(C)[N@@H+]1CC[C@@H]1COC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000845735531 1321738947 /nfs/dbraw/zinc/73/89/47/1321738947.db2.gz NTYJZESJJBVGID-GFCCVEGCSA-N 1 0 331.372 3.106 20 5 EGBDRO CC(C)(C)[N@@H+]1CC[C@@H]1COC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000845738564 1321739665 /nfs/dbraw/zinc/73/96/65/1321739665.db2.gz FKOLEWYYFZFDOD-OAHLLOKOSA-N 1 0 334.416 3.288 20 5 EGBDRO CC[C@H](C(=O)O[C@@H](c1ccccc1F)[C@H](C)[N+](=O)[O-])[NH+](CC)CC ZINC000845873241 1321747561 /nfs/dbraw/zinc/74/75/61/1321747561.db2.gz CCLKFBDQAYNOKA-APHBMKBZSA-N 1 0 340.395 3.196 20 5 EGBDRO COc1cc(C[NH2+]CCC[C@@H]2CC2(Cl)Cl)c([N+](=O)[O-])cc1O ZINC000846102560 1321767753 /nfs/dbraw/zinc/76/77/53/1321767753.db2.gz NVBXPRRELBBWCU-SNVBAGLBSA-N 1 0 349.214 3.373 20 5 EGBDRO C[S@](=O)[C@@H]1CCC[C@@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000850357055 1322233501 /nfs/dbraw/zinc/23/35/01/1322233501.db2.gz XCFWDFDLZKHCRQ-ZNLKAECVSA-N 1 0 330.837 3.028 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000850447199 1322251563 /nfs/dbraw/zinc/25/15/63/1322251563.db2.gz FAYWJXQWBNHVHN-LBPRGKRZSA-N 1 0 345.355 3.405 20 5 EGBDRO CO[C@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CCCC1 ZINC000850561255 1322268417 /nfs/dbraw/zinc/26/84/17/1322268417.db2.gz MPAMGTNUROBTRL-LJQANCHMSA-N 1 0 347.459 3.358 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000931057164 1329038592 /nfs/dbraw/zinc/03/85/92/1329038592.db2.gz LAPLBUARCQXUOR-CQSZACIVSA-N 1 0 334.420 3.158 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)C1(Br)CC1 ZINC000924954683 1323227031 /nfs/dbraw/zinc/22/70/31/1323227031.db2.gz KSTFKROEMQMLRA-VIFPVBQESA-N 1 0 329.194 3.009 20 5 EGBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)NCC1([NH+](C)C)CCC1 ZINC000931626882 1329156200 /nfs/dbraw/zinc/15/62/00/1329156200.db2.gz UWANXHVJRIMNGD-UHFFFAOYSA-N 1 0 340.811 3.162 20 5 EGBDRO C[C@H]([NH2+]Cc1cnccc1C(F)(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000853241269 1325070552 /nfs/dbraw/zinc/07/05/52/1325070552.db2.gz QKBRHSWJCVHJFI-VIFPVBQESA-N 1 0 340.305 3.442 20 5 EGBDRO COc1cc([C@@H](C)[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])on1 ZINC000926113168 1325433559 /nfs/dbraw/zinc/43/35/59/1325433559.db2.gz MTADXIYWGPVOIB-SECBINFHSA-N 1 0 325.752 3.138 20 5 EGBDRO CCCN(CC[NH+](CC)CC)C(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000860835138 1329360770 /nfs/dbraw/zinc/36/07/70/1329360770.db2.gz IOCTXDJYVUAYCP-UHFFFAOYSA-N 1 0 341.839 3.442 20 5 EGBDRO C[N@@H+]1CCC[C@@H]2CN(c3ccc([N+](=O)[O-])cc3C(F)F)CC[C@@H]21 ZINC000865616108 1329720529 /nfs/dbraw/zinc/72/05/29/1329720529.db2.gz GUHGIQLMFZZHKW-RISCZKNCSA-N 1 0 325.359 3.453 20 5 EGBDRO O=[N+]([O-])c1ccc(OCCC[NH2+][C@@H](c2ccncc2)C2CC2)cc1 ZINC000934686315 1329999810 /nfs/dbraw/zinc/99/98/10/1329999810.db2.gz HLVLTTGMSZUURW-GOSISDBHSA-N 1 0 327.384 3.500 20 5 EGBDRO COc1ccc(NC(=O)C[NH2+]C2(C3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000934788925 1330007065 /nfs/dbraw/zinc/00/70/65/1330007065.db2.gz WIKOFEZHIYSWMM-UHFFFAOYSA-N 1 0 347.415 3.244 20 5 EGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H](CCO)c1ccccc1 ZINC000866271764 1330088669 /nfs/dbraw/zinc/08/86/69/1330088669.db2.gz PUKJUXRZDFQCMW-CXAGYDPISA-N 1 0 332.375 3.378 20 5 EGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H](CO)c1ccc(F)cc1 ZINC000866297476 1330092297 /nfs/dbraw/zinc/09/22/97/1330092297.db2.gz KBAWAWULDHXHGH-BDJLRTHQSA-N 1 0 336.338 3.127 20 5 EGBDRO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)CC1CCN(C(=O)C2(C)CC2)CC1 ZINC001029967369 1341137747 /nfs/dbraw/zinc/13/77/47/1341137747.db2.gz IHKYYWRSZPYRKZ-UHFFFAOYSA-N 1 0 345.443 3.065 20 5 EGBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)CC1CCN(C(=O)C2(C)CC2)CC1 ZINC001029967735 1341137924 /nfs/dbraw/zinc/13/79/24/1341137924.db2.gz RLBIRIGWRJTEBI-UHFFFAOYSA-N 1 0 345.443 3.065 20 5 EGBDRO C[C@H]1CC[NH2+]CC[C@@H]1Oc1cccc(Br)c1[N+](=O)[O-] ZINC001218030454 1373543162 /nfs/dbraw/zinc/54/31/62/1373543162.db2.gz RDOGPSYZZWTRNL-ONGXEEELSA-N 1 0 329.194 3.124 20 5 EGBDRO Cc1cncc([N+](=O)[O-])c1N1CC[N@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC001324720034 1387751170 /nfs/dbraw/zinc/75/11/70/1387751170.db2.gz HKPOMJUPMCKBBQ-OAHLLOKOSA-N 1 0 340.427 3.257 20 5 EGBDRO C[C@@]1(c2nc(-c3cc4ccccc4c4ccccc34)no2)C[NH2+]C[C@H]1O ZINC001204858112 1370592181 /nfs/dbraw/zinc/59/21/81/1370592181.db2.gz NRQJQSHBBRSYTF-WIYYLYMNSA-N 1 0 345.402 3.265 20 5 EGBDRO [NH3+][C@H]1C[C@H](O)CN(Cc2ccc3ccc4cccc5ccc2c3c45)C1 ZINC001204957266 1370614907 /nfs/dbraw/zinc/61/49/07/1370614907.db2.gz QPJJZABVAHGXPQ-OALUTQOASA-N 1 0 330.431 3.478 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC001116318339 1370884612 /nfs/dbraw/zinc/88/46/12/1370884612.db2.gz DDZFENCWFMYHLH-GJZGRUSLSA-N 1 0 331.416 3.354 20 5 EGBDRO C[C@H](CC(=O)OC(C)(C)C)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC001116474698 1370920637 /nfs/dbraw/zinc/92/06/37/1370920637.db2.gz HNECKLBTXLJPRL-SNVBAGLBSA-N 1 0 328.796 3.458 20 5 EGBDRO Cc1cncc([N+](=O)[O-])c1N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001117295725 1371034708 /nfs/dbraw/zinc/03/47/08/1371034708.db2.gz FRWHYEXNDSWMHF-RDJZCZTQSA-N 1 0 340.427 3.043 20 5 EGBDRO CCOC(=O)C[C@@H]1CCC[N@@H+]1C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC001326162183 1388121301 /nfs/dbraw/zinc/12/13/01/1388121301.db2.gz JOFZHEBTUOQMKY-DNXIFWLFSA-N 1 0 332.400 3.416 20 5 EGBDRO C/C=C(/C)C(=O)NC1CC2(C1)CC([NH2+]Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001120907401 1371802304 /nfs/dbraw/zinc/80/23/04/1371802304.db2.gz IMWZMWDQUKLCBU-DXNYSGJVSA-N 1 0 343.427 3.078 20 5 EGBDRO C[NH+]1CCN(Cc2cccc(Nc3cc(F)cc([N+](=O)[O-])c3)c2)CC1 ZINC001216484130 1373310410 /nfs/dbraw/zinc/31/04/10/1373310410.db2.gz GDECMCDZDXZHFP-UHFFFAOYSA-N 1 0 344.390 3.225 20 5 EGBDRO C[NH+]1CCC(Oc2ccc(Nc3cc(F)cc([N+](=O)[O-])c3)nc2)CC1 ZINC001216482009 1373310519 /nfs/dbraw/zinc/31/05/19/1373310519.db2.gz PEULFDGSVNECDD-UHFFFAOYSA-N 1 0 346.362 3.346 20 5 EGBDRO CC1(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCCCC1 ZINC001129648301 1373407868 /nfs/dbraw/zinc/40/78/68/1373407868.db2.gz UXCAOVQZQMJZKY-UHFFFAOYSA-N 1 0 333.432 3.161 20 5 EGBDRO Cc1cc(Br)c(O[C@@H]2CCC[NH2+]C[C@@H]2F)cc1[N+](=O)[O-] ZINC001217946343 1373515668 /nfs/dbraw/zinc/51/56/68/1373515668.db2.gz HCICYJFTIGSHKL-CMPLNLGQSA-N 1 0 347.184 3.135 20 5 EGBDRO Cc1cc(O[C@H]2C[NH2+]CCC[C@@H]2F)c([N+](=O)[O-])cc1Br ZINC001217981591 1373524948 /nfs/dbraw/zinc/52/49/48/1373524948.db2.gz QXNLREHRONXDRZ-GWCFXTLKSA-N 1 0 347.184 3.135 20 5 EGBDRO C[C@@H]1C[NH2+]CCC[C@H]1Oc1ccc(Br)cc1[N+](=O)[O-] ZINC001217987536 1373527422 /nfs/dbraw/zinc/52/74/22/1373527422.db2.gz NQDZEHJXZGNYGN-BXKDBHETSA-N 1 0 329.194 3.124 20 5 EGBDRO C[C@H]1CC[NH2+]CC[C@H]1Oc1cc(F)c(Br)cc1[N+](=O)[O-] ZINC001218026553 1373541091 /nfs/dbraw/zinc/54/10/91/1373541091.db2.gz IWBGTNBWPBLZRV-QPUJVOFHSA-N 1 0 347.184 3.263 20 5 EGBDRO C[C@@H]1CC[NH2+]CC[C@H]1Oc1ccc([N+](=O)[O-])c(Br)c1 ZINC001218029427 1373542526 /nfs/dbraw/zinc/54/25/26/1373542526.db2.gz LBZNZFFGIKLVSO-NOZJJQNGSA-N 1 0 329.194 3.124 20 5 EGBDRO Cc1cc(Br)c(O[C@@H]2C[NH2+]CC[C@H]2C)cc1[N+](=O)[O-] ZINC001218043864 1373546740 /nfs/dbraw/zinc/54/67/40/1373546740.db2.gz NNGRYZGRAQEIGQ-AMIZOPFISA-N 1 0 329.194 3.043 20 5 EGBDRO Cc1cc(Br)cc([N+](=O)[O-])c1OC1CC2(C1)CC[NH2+]C2 ZINC001218063707 1373551264 /nfs/dbraw/zinc/55/12/64/1373551264.db2.gz MQFFQMNEBWEUDJ-UHFFFAOYSA-N 1 0 341.205 3.187 20 5 EGBDRO O=[N+]([O-])c1cc(Br)ccc1O[C@H]1CCC12CC[NH2+]CC2 ZINC001218079679 1373556471 /nfs/dbraw/zinc/55/64/71/1373556471.db2.gz HVRMXTFCGBTLTO-ZDUSSCGKSA-N 1 0 341.205 3.268 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1ccc(O[C@@H]2CSC3(C[NH2+]C3)C2)cc1 ZINC001218100653 1373560588 /nfs/dbraw/zinc/56/05/88/1373560588.db2.gz VZQKVYFVRJVDCH-HNNXBMFYSA-N 1 0 342.420 3.488 20 5 EGBDRO CC(C)(C)OC(=O)c1ccc(O[C@@H]2CC[C@@]23CC[NH2+]C3)c([N+](=O)[O-])c1 ZINC001218121807 1373564999 /nfs/dbraw/zinc/56/49/99/1373564999.db2.gz CFHPONUTACQGLP-QAPCUYQASA-N 1 0 348.399 3.071 20 5 EGBDRO O=[N+]([O-])c1cccc(O[C@@H]2CCC[C@@H]3C[NH2+]C[C@@H]32)c1Br ZINC001218143968 1373568416 /nfs/dbraw/zinc/56/84/16/1373568416.db2.gz DBDNNKPHYKOGPX-JFGNBEQYSA-N 1 0 341.205 3.124 20 5 EGBDRO CC1(C)C[NH2+]CC[C@@H]1Oc1c2ccccc2c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001218315360 1373593753 /nfs/dbraw/zinc/59/37/53/1373593753.db2.gz LJPVHHYNCMSPDW-HNNXBMFYSA-N 1 0 345.355 3.423 20 5 EGBDRO C[C@@H](Oc1ccccc1N1CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC001218342995 1373600758 /nfs/dbraw/zinc/60/07/58/1373600758.db2.gz CNVPAFKEHQOWCI-CQSZACIVSA-N 1 0 327.384 3.144 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1ccc(OCCO[C@@H]2CC[NH2+]C2)cc1 ZINC001218393389 1373605640 /nfs/dbraw/zinc/60/56/40/1373605640.db2.gz LYNRACKFKWGHOA-MRXNPFEDSA-N 1 0 328.368 3.019 20 5 EGBDRO Cc1cc(Br)c(O[C@H]2C[NH2+]CCC23CC3)cc1[N+](=O)[O-] ZINC001218402717 1373608301 /nfs/dbraw/zinc/60/83/01/1373608301.db2.gz FFTLFBLNXDTPAE-ZDUSSCGKSA-N 1 0 341.205 3.187 20 5 EGBDRO C[C@@H]1CC[C@@H](Oc2cc([N+](=O)[O-])c(Br)cc2F)C[NH2+]1 ZINC001218406883 1373609038 /nfs/dbraw/zinc/60/90/38/1373609038.db2.gz OLFLDANNEHSTQG-HTQZYQBOSA-N 1 0 333.157 3.016 20 5 EGBDRO O=c1c2ccccc2oc2cc(O[C@H]3C[NH2+]CCC3(F)F)ccc12 ZINC001218449610 1373615185 /nfs/dbraw/zinc/61/51/85/1373615185.db2.gz USJBIMZMNMEURR-INIZCTEOSA-N 1 0 331.318 3.322 20 5 EGBDRO O=[N+]([O-])c1ccc(O[C@@H]2C[NH2+]CCC2(F)F)c(Cl)c1Cl ZINC001218452727 1373616267 /nfs/dbraw/zinc/61/62/67/1373616267.db2.gz DZIZDPGCRSFLMJ-MRVPVSSYSA-N 1 0 327.114 3.278 20 5 EGBDRO O=c1c2ccc(O)cc2oc2cc(O[C@H]3C[NH2+]CCC3(F)F)ccc12 ZINC001218454560 1373617159 /nfs/dbraw/zinc/61/71/59/1373617159.db2.gz RCDCDUSAHZBOPL-INIZCTEOSA-N 1 0 347.317 3.028 20 5 EGBDRO O=[N+]([O-])c1ccccc1CO[C@H]1COCC[N@H+](Cc2ccccc2)C1 ZINC001222761630 1373872442 /nfs/dbraw/zinc/87/24/42/1373872442.db2.gz ZIUNGSYDRXEQQJ-GOSISDBHSA-N 1 0 342.395 3.012 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(OC2CC[NH+](C(C)(C)C)CC2)c([N+](=O)[O-])c1 ZINC001225594162 1375128710 /nfs/dbraw/zinc/12/87/10/1375128710.db2.gz HGRJCQGDRZCTBC-UHFFFAOYSA-N 1 0 337.376 3.453 20 5 EGBDRO O=[N+]([O-])c1cccnc1O[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 ZINC001225594092 1375129062 /nfs/dbraw/zinc/12/90/62/1375129062.db2.gz BDFULJJWWDIVGD-CQSZACIVSA-N 1 0 333.775 3.297 20 5 EGBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1cc([N+](=O)[O-])ccc1Br)C2 ZINC001226582608 1375285430 /nfs/dbraw/zinc/28/54/30/1375285430.db2.gz NBJWRRVAIQPAIM-PEGIJTEDSA-N 1 0 341.205 3.361 20 5 EGBDRO CC(C)(C)/C=C/C(=O)NC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001226633241 1375296966 /nfs/dbraw/zinc/29/69/66/1375296966.db2.gz OZEHMFZRHUKBOP-JXMROGBWSA-N 1 0 345.443 3.278 20 5 EGBDRO Cc1cc([N+](=O)[O-])cnc1O[C@@H]1CCC[N@@H+]([C@H](C)c2ccccn2)C1 ZINC001226763768 1375327901 /nfs/dbraw/zinc/32/79/01/1375327901.db2.gz BOSQYCOGBHYPSL-GDBMZVCRSA-N 1 0 342.399 3.298 20 5 EGBDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1nc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001227246016 1375411821 /nfs/dbraw/zinc/41/18/21/1375411821.db2.gz DUPXFHVGGIFLHI-IWIIMEHWSA-N 1 0 345.321 3.118 20 5 EGBDRO C=C/C(C)=C\CC(=O)NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001228702056 1375644735 /nfs/dbraw/zinc/64/47/35/1375644735.db2.gz JDEAVQSLMPCMOP-TVPGTPATSA-N 1 0 343.427 3.198 20 5 EGBDRO C[NH+]1CCC(c2c[nH]c3ccc(O[C@@H](C[N+](=O)[O-])C4CC4)cc32)CC1 ZINC001228830986 1375689209 /nfs/dbraw/zinc/68/92/09/1375689209.db2.gz VTFIMZIUEKLUCT-IBGZPJMESA-N 1 0 343.427 3.411 20 5 EGBDRO CCOC(=O)c1c(O)cc2ccccc2c1O[C@H](C)C[N+](C)(C)C ZINC001229500189 1375848010 /nfs/dbraw/zinc/84/80/10/1375848010.db2.gz BMISFFWKNCSWAV-CYBMUJFWSA-O 1 0 332.420 3.196 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(OC[C@@H]2CCC3(CC[NH+](C)CC3)O2)cc1F ZINC001229892718 1375914656 /nfs/dbraw/zinc/91/46/56/1375914656.db2.gz PDOWBRWSZMWHKQ-ZDUSSCGKSA-N 1 0 338.379 3.065 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1OC[C@H]1CCC2(CC[NH+](C)CC2)O1 ZINC001230724466 1376133816 /nfs/dbraw/zinc/13/38/16/1376133816.db2.gz WKQBJVIUIRZXEK-OAHLLOKOSA-N 1 0 334.416 3.234 20 5 EGBDRO COCC(=O)Nc1cc2oc3cc(=[NH2+])ccc-3nc2c2ccccc12 ZINC001142821158 1378491049 /nfs/dbraw/zinc/49/10/49/1378491049.db2.gz HQCWSDNHVAFKEZ-UHFFFAOYSA-N 1 0 333.347 3.150 20 5 EGBDRO Cc1cc(C)c(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC001150163752 1379506010 /nfs/dbraw/zinc/50/60/10/1379506010.db2.gz IGGPCOGYOAFTMI-UHFFFAOYSA-N 1 0 341.411 3.040 20 5 EGBDRO C[C@@H]1C[NH2+]CCC[C@H]1CNc1ccc(-c2ccc([N+](=O)[O-])cc2)nn1 ZINC001155028464 1380394573 /nfs/dbraw/zinc/39/45/73/1380394573.db2.gz ADYOGDLAMBWQKR-HIFRSBDPSA-N 1 0 341.415 3.099 20 5 EGBDRO Cc1cc(NC[C@@]2(F)CCCC[NH2+]C2)nc2ccc([N+](=O)[O-])cc12 ZINC001155116432 1380411702 /nfs/dbraw/zinc/41/17/02/1380411702.db2.gz ZJIQDELVUGTQBV-QGZVFWFLSA-N 1 0 332.379 3.345 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@@]23CCC[C@@H]2[NH2+]CC3)nc1-c1ccc(F)cc1 ZINC001155408964 1380448164 /nfs/dbraw/zinc/44/81/64/1380448164.db2.gz JHOOEQDXYYETNR-MAUKXSAKSA-N 1 0 342.374 3.492 20 5 EGBDRO O=[N+]([O-])c1c(Cl)c2ccccc2nc1N[C@H]1C[NH+]2CCC1CC2 ZINC001155663148 1380480450 /nfs/dbraw/zinc/48/04/50/1380480450.db2.gz XAVOFJOCQCSABD-ZDUSSCGKSA-N 1 0 332.791 3.303 20 5 EGBDRO CCC[NH+]1CCC(NC(=O)c2ccnc3c2ccc2cccnc23)CC1 ZINC001155816019 1380494261 /nfs/dbraw/zinc/49/42/61/1380494261.db2.gz PBKXJKSITBSOID-UHFFFAOYSA-N 1 0 348.450 3.387 20 5 EGBDRO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)c1ccnc2c1ccc1cccnc12 ZINC001155819037 1380494646 /nfs/dbraw/zinc/49/46/46/1380494646.db2.gz QXYMMDMFRYKSTC-ROUUACIJSA-N 1 0 348.450 3.386 20 5 EGBDRO CC(C)[NH+]1CCC(CNc2cc(/C=C/N(C)C)c([N+](=O)[O-])cn2)CC1 ZINC001156501374 1380584692 /nfs/dbraw/zinc/58/46/92/1380584692.db2.gz NLHHYVSZRZNQPK-BQYQJAHWSA-N 1 0 347.463 3.054 20 5 EGBDRO [NH3+]Cc1cnc2c(ccn2-c2nc(Cl)c(Cl)cc2[N+](=O)[O-])c1 ZINC001156593357 1380597928 /nfs/dbraw/zinc/59/79/28/1380597928.db2.gz FXVWZHVFVDGVHY-UHFFFAOYSA-N 1 0 338.154 3.094 20 5 EGBDRO Cc1c(C)c(N(Cc2ccccc2)[C@@H]2CCC[NH2+]C2)ncc1[N+](=O)[O-] ZINC001157434942 1380892692 /nfs/dbraw/zinc/89/26/92/1380892692.db2.gz OTRJQUKKGGPTSI-QGZVFWFLSA-N 1 0 340.427 3.365 20 5 EGBDRO [NH3+]CC[C@H]1CN(c2cnc3cc([N+](=O)[O-])ccc3n2)c2ccccc21 ZINC001157739375 1381018482 /nfs/dbraw/zinc/01/84/82/1381018482.db2.gz JXWWGXDETVTLIP-LBPRGKRZSA-N 1 0 335.367 3.122 20 5 EGBDRO C[C@@H]1[C@@H]([NH3+])CCCN1c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC001157748112 1381020407 /nfs/dbraw/zinc/02/04/07/1381020407.db2.gz SOOVWQPJJWGPQT-RISCZKNCSA-N 1 0 330.363 3.112 20 5 EGBDRO CC(C)N(c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1)[C@H]1CC[NH2+]C1 ZINC001158035263 1381108929 /nfs/dbraw/zinc/10/89/29/1381108929.db2.gz QXZCLGLWFCFAHX-HNNXBMFYSA-N 1 0 344.390 3.373 20 5 EGBDRO CC1(C)C[C@@H](Nc2ncnc3cc([N+](=O)[O-])ccc32)C[C@@](C)(C[NH3+])C1 ZINC001158264510 1381177554 /nfs/dbraw/zinc/17/75/54/1381177554.db2.gz CFRARVIDCRRQSJ-KZULUSFZSA-N 1 0 343.431 3.494 20 5 EGBDRO O=[N+]([O-])c1ccccc1Nc1ccc(OCC2CC[NH2+]CC2)nc1 ZINC001159344665 1381772622 /nfs/dbraw/zinc/77/26/22/1381772622.db2.gz XZPCFXGZLKVZJB-UHFFFAOYSA-N 1 0 328.372 3.112 20 5 EGBDRO Cc1ccc(Nc2ccc(CN3CC[NH2+]CC3)cc2)c([N+](=O)[O-])c1 ZINC001159570731 1381832784 /nfs/dbraw/zinc/83/27/84/1381832784.db2.gz BXZJFIGZQCBOEO-UHFFFAOYSA-N 1 0 326.400 3.052 20 5 EGBDRO Cc1ccc(Nc2cc(F)ccc2N2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC001160052714 1381982567 /nfs/dbraw/zinc/98/25/67/1381982567.db2.gz MSUHUUPTIYRVSV-UHFFFAOYSA-N 1 0 330.363 3.196 20 5 EGBDRO C[C@@H](C[NH3+])CN(Cc1ccccc1)c1cc([N+](=O)[O-])cc(Cl)n1 ZINC001160659793 1382162605 /nfs/dbraw/zinc/16/26/05/1382162605.db2.gz AJUUVQAHGXCGDJ-LBPRGKRZSA-N 1 0 334.807 3.245 20 5 EGBDRO Cc1ccc(-c2ccc(NCc3ccccc3C[NH3+])nn2)cc1[N+](=O)[O-] ZINC001160906941 1382230437 /nfs/dbraw/zinc/23/04/37/1382230437.db2.gz CSAJBQIAAPPPMN-UHFFFAOYSA-N 1 0 349.394 3.431 20 5 EGBDRO CCC(CC)[NH+]1CCC(Nc2nc(Cl)ncc2[N+](=O)[O-])CC1 ZINC001161095051 1382295023 /nfs/dbraw/zinc/29/50/23/1382295023.db2.gz PJEDDZMTUJOMNS-UHFFFAOYSA-N 1 0 327.816 3.103 20 5 EGBDRO C[N@@H+]1CCC[C@](C)(Nc2cc([N+](=O)[O-])cc3c(Cl)ncnc23)C1 ZINC001162341028 1382734791 /nfs/dbraw/zinc/73/47/91/1382734791.db2.gz YJMDGYBEELASBF-HNNXBMFYSA-N 1 0 335.795 3.088 20 5 EGBDRO C[N@@H+]1CCC[C@@](C)(Nc2nc(Cl)nc3ccc([N+](=O)[O-])cc32)C1 ZINC001162341386 1382734820 /nfs/dbraw/zinc/73/48/20/1382734820.db2.gz LXDVSAOCMDZPCW-OAHLLOKOSA-N 1 0 335.795 3.088 20 5 EGBDRO [NH3+][C@H]1CCC[C@H](Nc2c(Br)cc(F)cc2[N+](=O)[O-])C1 ZINC001162397048 1382747173 /nfs/dbraw/zinc/74/71/73/1382747173.db2.gz QBKFYYCXOXOADT-IUCAKERBSA-N 1 0 332.173 3.178 20 5 EGBDRO [NH3+][C@@H]1Cc2ccccc2N(c2ncc(F)c3cc([N+](=O)[O-])ccc32)C1 ZINC001162845755 1382892733 /nfs/dbraw/zinc/89/27/33/1382892733.db2.gz UZBUXEUEUGPJRR-GFCCVEGCSA-N 1 0 338.342 3.304 20 5 EGBDRO Cc1ccc(-c2ccc(N(C(C)C)C(C)(C)C[NH3+])nn2)cc1[N+](=O)[O-] ZINC001163188495 1382987803 /nfs/dbraw/zinc/98/78/03/1382987803.db2.gz XFMUTKVBCWYAJK-UHFFFAOYSA-N 1 0 343.431 3.312 20 5 EGBDRO CC(=O)Nc1ccc(N[C@@H]2CC[NH2+][C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC001163215708 1382994641 /nfs/dbraw/zinc/99/46/41/1382994641.db2.gz PLBQAYALDFVTIN-AEFFLSMTSA-N 1 0 340.383 3.068 20 5 EGBDRO COC(=O)c1c(C)c([N+](=O)[O-])ccc1N[C@@H]1C[NH2+]Cc2ccsc21 ZINC001163239988 1383003403 /nfs/dbraw/zinc/00/34/03/1383003403.db2.gz TYYSLXWGJRQUFE-GFCCVEGCSA-N 1 0 347.396 3.008 20 5 EGBDRO O=[N+]([O-])c1cccc2nc(NC[C@@H]3Cc4ccccc4C[NH2+]3)ccc21 ZINC001163271590 1383010206 /nfs/dbraw/zinc/01/02/06/1383010206.db2.gz CTJLRWZJBUQTFS-HNNXBMFYSA-N 1 0 334.379 3.269 20 5 EGBDRO O=[N+]([O-])c1cc(NC[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)cc2ccccc21 ZINC001163290243 1383013333 /nfs/dbraw/zinc/01/33/33/1383013333.db2.gz YKAHUWDFOHZFPO-AUUYWEPGSA-N 1 0 341.411 3.319 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(OC(C)C)cc1N[C@H]1CCO[C@]2(CC[NH2+]C2)C1 ZINC001163334480 1383024378 /nfs/dbraw/zinc/02/43/78/1383024378.db2.gz WPACBVOFKZFZKU-KBXCAEBGSA-N 1 0 349.431 3.013 20 5 EGBDRO CC(C)[N@@H+]1CC[C@H](Nc2ncnc3ccc([N+](=O)[O-])cc32)[C@@H](C)C1 ZINC001163360556 1383029926 /nfs/dbraw/zinc/02/99/26/1383029926.db2.gz DWPMWQOLBIKVMW-WFASDCNBSA-N 1 0 329.404 3.069 20 5 EGBDRO O=C(NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1)C1(C2CCC2)CCC1 ZINC001163455517 1383054931 /nfs/dbraw/zinc/05/49/31/1383054931.db2.gz IVXCAFVISCEMCI-UHFFFAOYSA-N 1 0 345.443 3.161 20 5 EGBDRO COc1cnc(-n2c(C)c(C)c3cc(C[NH3+])ccc32)cc1[N+](=O)[O-] ZINC001163757037 1383118614 /nfs/dbraw/zinc/11/86/14/1383118614.db2.gz OMZKNSXTUXHFQP-UHFFFAOYSA-N 1 0 326.356 3.018 20 5 EGBDRO C[C@@]1(C[NH3+])CCCN(C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)CC1 ZINC001164242221 1383170380 /nfs/dbraw/zinc/17/03/80/1383170380.db2.gz IXXAJVOBIYHSHC-CYBMUJFWSA-N 1 0 348.781 3.143 20 5 EGBDRO O=[N+]([O-])c1cccc2nc(N3CC[NH2+][C@H](Cc4ccccc4)C3)ccc21 ZINC001164608520 1383207589 /nfs/dbraw/zinc/20/75/89/1383207589.db2.gz SIFBHWJCXQIFQC-MRXNPFEDSA-N 1 0 348.406 3.164 20 5 EGBDRO O=[N+]([O-])c1cccc(N2CCC([N@@H+]3CCc4ccccc4C3)CC2)n1 ZINC001165147450 1383236737 /nfs/dbraw/zinc/23/67/37/1383236737.db2.gz IBQOBLKJFSFAQL-UHFFFAOYSA-N 1 0 338.411 3.017 20 5 EGBDRO [NH3+]CC1(F)CCN(c2nc3ccccc3c(Cl)c2[N+](=O)[O-])CC1 ZINC001165262225 1383260941 /nfs/dbraw/zinc/26/09/41/1383260941.db2.gz HSXHDJRXRVMOFQ-UHFFFAOYSA-N 1 0 338.770 3.064 20 5 EGBDRO Cc1cc(Cl)nc(N2CCCC[C@H]2C2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001165319014 1383272137 /nfs/dbraw/zinc/27/21/37/1383272137.db2.gz GFVZGRRYGVFSHT-ZDUSSCGKSA-N 1 0 338.839 3.310 20 5 EGBDRO CC1(CC(=O)NCCC2(C[NH2+]Cc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC001166216471 1383402905 /nfs/dbraw/zinc/40/29/05/1383402905.db2.gz DMWKZAREBCGULD-UHFFFAOYSA-N 1 0 345.443 3.161 20 5 EGBDRO CC(C)[NH+]1CCC(CNc2ccc([N+](=O)[O-])c3c2CCN(C)C3)CC1 ZINC001166635776 1383451230 /nfs/dbraw/zinc/45/12/30/1383451230.db2.gz GNDJUKMWMGBBKR-UHFFFAOYSA-N 1 0 346.475 3.115 20 5 EGBDRO CCC1(C(=O)NCCC2(C[NH2+]Cc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001167051641 1383528043 /nfs/dbraw/zinc/52/80/43/1383528043.db2.gz WELSIXXQCAZCCG-UHFFFAOYSA-N 1 0 345.443 3.161 20 5 EGBDRO Cc1cccc(C)c1C(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001167245620 1383573643 /nfs/dbraw/zinc/57/36/43/1383573643.db2.gz LFLQSJLXKCFPKH-UHFFFAOYSA-N 1 0 341.411 3.121 20 5 EGBDRO CC(C)(C)C(=O)NCCC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001167820505 1383748974 /nfs/dbraw/zinc/74/89/74/1383748974.db2.gz PHZDLQMLVBLGCK-UHFFFAOYSA-N 1 0 333.432 3.017 20 5 EGBDRO C[NH+](C)CCOc1cc(NC2(c3ccccn3)CC2)ccc1[N+](=O)[O-] ZINC001168150314 1383827941 /nfs/dbraw/zinc/82/79/41/1383827941.db2.gz DOJJJSMKPXTLID-UHFFFAOYSA-N 1 0 342.399 3.031 20 5 EGBDRO COc1ccc2c(c1)c(CC[NH3+])c(C)n2[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168977864 1384076948 /nfs/dbraw/zinc/07/69/48/1384076948.db2.gz NCJNIBYJIWFFAO-UONOGXRCSA-N 1 0 331.416 3.077 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2ncc(Cl)cc2Br)C1 ZINC001168977480 1384076996 /nfs/dbraw/zinc/07/69/96/1384076996.db2.gz KDDDPIGGCCATSO-WCBMZHEXSA-N 1 0 348.628 3.033 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H](CO)c2cc(Cl)cc(Cl)c2)C1 ZINC001168980256 1384077884 /nfs/dbraw/zinc/07/78/84/1384077884.db2.gz CMFNJEDJKBEQNO-BIGNPOOSSA-N 1 0 333.215 3.062 20 5 EGBDRO CC(C)C[C@@H](CC(=O)OC(C)(C)C)[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168986858 1384079888 /nfs/dbraw/zinc/07/98/88/1384079888.db2.gz FNLPVIJXJAFZBP-ILXRZTDVSA-N 1 0 328.453 3.168 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H](c2ccccc2)[C@@H](O)c2ccccc2)C1 ZINC001168997077 1384081585 /nfs/dbraw/zinc/08/15/85/1384081585.db2.gz XKERKSDGZFXBHR-TTYHFUOFSA-N 1 0 340.423 3.496 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2cn(Cc3cccc(Cl)c3)cn2)C1 ZINC001168997740 1384082752 /nfs/dbraw/zinc/08/27/52/1384082752.db2.gz FHYYHWPPSGGCKW-GOEBONIOSA-N 1 0 348.834 3.120 20 5 EGBDRO [NH3+]CCCc1nc2ccc(Cl)cc2n1-c1cnc(F)c([N+](=O)[O-])c1 ZINC001168999577 1384082811 /nfs/dbraw/zinc/08/28/11/1384082811.db2.gz OFQZLGWWJZMMOP-UHFFFAOYSA-N 1 0 349.753 3.013 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C2(c3cccc(Cl)c3)CCOCC2)C1 ZINC001168997945 1384082850 /nfs/dbraw/zinc/08/28/50/1384082850.db2.gz GSROOLFFFYHYJG-CZUORRHYSA-N 1 0 338.835 3.381 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2c(F)cccc2Br)C1 ZINC001169000990 1384083548 /nfs/dbraw/zinc/08/35/48/1384083548.db2.gz CCPWTEMQQLRHIC-VHSXEESVSA-N 1 0 331.185 3.123 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCn3cccc3[C@H]2c2ccccc2)C1 ZINC001169007440 1384086418 /nfs/dbraw/zinc/08/64/18/1384086418.db2.gz NRZNXLLTLQWBSC-SZVBFZGTSA-N 1 0 325.412 3.339 20 5 EGBDRO COc1cccc(C(=O)C2CC[NH+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)c1 ZINC001169012700 1384089793 /nfs/dbraw/zinc/08/97/93/1384089793.db2.gz RSSPQKJJCYKJOJ-YOEHRIQHSA-N 1 0 346.427 3.035 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@@H](n2nc(C3CC[NH2+]CC3)c3ccc(F)cc32)C1 ZINC001169037510 1384097200 /nfs/dbraw/zinc/09/72/00/1384097200.db2.gz RZVUOYQORFYAEG-SWLSCSKDSA-N 1 0 346.406 3.260 20 5 EGBDRO COc1ccc(C[C@@H]2CCC[N@@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)cc1 ZINC001169040447 1384098492 /nfs/dbraw/zinc/09/84/92/1384098492.db2.gz ZVMUVNARYQNCCY-RCCFBDPRSA-N 1 0 332.444 3.395 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2CCc3c(Br)cccc3C2)C1 ZINC001169039006 1384098591 /nfs/dbraw/zinc/09/85/91/1384098591.db2.gz MIGKTJCULXVNMK-AAEUAGOBSA-N 1 0 339.233 3.253 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H](n2nc(C3CC[NH2+]CC3)c3ccccc32)C1 ZINC001169043647 1384099757 /nfs/dbraw/zinc/09/97/57/1384099757.db2.gz HHJNMIIOFGVDDS-UKRRQHHQSA-N 1 0 328.416 3.121 20 5 EGBDRO CC1(C)C[C@@H](Nc2ccc3nc[nH]c3c2[N+](=O)[O-])C[C@@](C)(C[NH3+])C1 ZINC001169152122 1384115882 /nfs/dbraw/zinc/11/58/82/1384115882.db2.gz OTEOIXDRMHSQMZ-PIGZYNQJSA-N 1 0 331.420 3.427 20 5 EGBDRO COc1ccc(C[C@H](C)Nc2ccc(CC[NH3+])cc2)c([N+](=O)[O-])c1 ZINC001170297526 1384285326 /nfs/dbraw/zinc/28/53/26/1384285326.db2.gz OORUPMHLXDFVJO-ZDUSSCGKSA-N 1 0 329.400 3.148 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+]CC2CCC3(COC3)CC2)c([N+](=O)[O-])c1 ZINC001170309745 1384287813 /nfs/dbraw/zinc/28/78/13/1384287813.db2.gz SCYUZNVKUXYRTD-AWEZNQCLSA-N 1 0 348.443 3.331 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+][C@H]2COCc3ccccc32)c([N+](=O)[O-])c1 ZINC001170312090 1384288524 /nfs/dbraw/zinc/28/85/24/1384288524.db2.gz CSVBXBFCIQIZRB-ACJLOTCBSA-N 1 0 342.395 3.396 20 5 EGBDRO COc1ccc(C[C@@H](C)N2C[C@H](C[NH3+])c3ccccc32)c([N+](=O)[O-])c1 ZINC001170315314 1384289044 /nfs/dbraw/zinc/28/90/44/1384289044.db2.gz XBXWRSSCEGLCDJ-HIFRSBDPSA-N 1 0 341.411 3.097 20 5 EGBDRO COc1ccc(C[C@H](C)Nc2cccc(CC[NH3+])c2)c([N+](=O)[O-])c1 ZINC001170318909 1384289853 /nfs/dbraw/zinc/28/98/53/1384289853.db2.gz SBXTWNLTVZWWLE-ZDUSSCGKSA-N 1 0 329.400 3.148 20 5 EGBDRO CC[NH+](CC)C1CCN([C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC001170347054 1384296634 /nfs/dbraw/zinc/29/66/34/1384296634.db2.gz PUACFWYULOTUMM-HNNXBMFYSA-N 1 0 349.475 3.341 20 5 EGBDRO COc1ccc(C[C@@H](C)[N@H+](C(C)C)C2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC001170351456 1384298427 /nfs/dbraw/zinc/29/84/27/1384298427.db2.gz CJJXPVTYDVYASU-OAHLLOKOSA-N 1 0 349.475 3.339 20 5 EGBDRO COc1ccc(C[C@H](C)[NH+]2CCC3(CCCOC3)CC2)c([N+](=O)[O-])c1 ZINC001170354816 1384299152 /nfs/dbraw/zinc/29/91/52/1384299152.db2.gz PSRIUVKRFDFEMJ-HNNXBMFYSA-N 1 0 348.443 3.427 20 5 EGBDRO C[NH+]1C(C)(C)CC(Nc2cc([N+](=O)[O-])c3nccn3c2)CC1(C)C ZINC001170452146 1384322033 /nfs/dbraw/zinc/32/20/33/1384322033.db2.gz ZVTRMUIOAYITFW-UHFFFAOYSA-N 1 0 331.420 3.306 20 5 EGBDRO COc1cc(OC)cc([C@H](C)Nc2cc3c(cc2[N+](=O)[O-])C[NH2+]C3)c1 ZINC001170933502 1384414051 /nfs/dbraw/zinc/41/40/51/1384414051.db2.gz LJOCXNYWPBQURO-NSHDSACASA-N 1 0 343.383 3.388 20 5 EGBDRO [NH3+]C[C@@H]1COc2ccccc2N1c1ccnc2c1cccc2[N+](=O)[O-] ZINC001171395062 1384512225 /nfs/dbraw/zinc/51/22/25/1384512225.db2.gz XITTVKHYXMJEHA-GFCCVEGCSA-N 1 0 336.351 3.001 20 5 EGBDRO O=C(NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC001171813210 1384647210 /nfs/dbraw/zinc/64/72/10/1384647210.db2.gz CRUAJHRYBVIDTD-UHFFFAOYSA-N 1 0 347.802 3.158 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]CCc1cccc(O)c1)CC2 ZINC001172900275 1384874068 /nfs/dbraw/zinc/87/40/68/1384874068.db2.gz RWUHVBRTACSTMJ-KRWDZBQOSA-N 1 0 326.396 3.380 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]Cc1ncc(Cl)cn1)CC2 ZINC001172901227 1384874275 /nfs/dbraw/zinc/87/42/75/1384874275.db2.gz LLVVYPLIUWBWAB-CQSZACIVSA-N 1 0 332.791 3.075 20 5 EGBDRO C[C@@]1(CO)CCC[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172903688 1384874850 /nfs/dbraw/zinc/87/48/50/1384874850.db2.gz INZXJFUIPXSSPF-PKOBYXMFSA-N 1 0 332.444 3.327 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]CC1Oc3ccccc3O1)CC2 ZINC001172904321 1384875112 /nfs/dbraw/zinc/87/51/12/1384875112.db2.gz WZMYDMZFZQWTQH-HNNXBMFYSA-N 1 0 340.379 3.229 20 5 EGBDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172908460 1384875478 /nfs/dbraw/zinc/87/54/78/1384875478.db2.gz MRKRZFMEZAWKFT-ZACQAIPSSA-N 1 0 346.427 3.164 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]Cc1ncc(F)cc1F)CC2 ZINC001172908892 1384875850 /nfs/dbraw/zinc/87/58/50/1384875850.db2.gz BFKNPZCIPKJCTH-AWEZNQCLSA-N 1 0 333.338 3.305 20 5 EGBDRO CCOC(=O)C1(C[NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCC1 ZINC001172912736 1384876079 /nfs/dbraw/zinc/87/60/79/1384876079.db2.gz OXHQYGHIQDWFDW-INIZCTEOSA-N 1 0 346.427 3.165 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]C[C@@H](O)C1CCCCC1)CC2 ZINC001172912122 1384876441 /nfs/dbraw/zinc/87/64/41/1384876441.db2.gz MFERHKMUNHMPHJ-PKOBYXMFSA-N 1 0 332.444 3.373 20 5 EGBDRO CC(C)(C)N1CC[NH+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172915513 1384877368 /nfs/dbraw/zinc/87/73/68/1384877368.db2.gz NSNVFRONIIWLHM-QGZVFWFLSA-N 1 0 331.460 3.258 20 5 EGBDRO C[N@H+](CCc1ccncc1)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172914842 1384877371 /nfs/dbraw/zinc/87/73/71/1384877371.db2.gz KINPXZVBAZZIPL-SFHVURJKSA-N 1 0 325.412 3.412 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH+]1CCC(n3ccnc3)CC1)CC2 ZINC001172920925 1384879177 /nfs/dbraw/zinc/87/91/77/1384879177.db2.gz MKKMUEYPSFZIFB-KRWDZBQOSA-N 1 0 340.427 3.376 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CC[C@]3(C1)CCCOC3)CC2 ZINC001172920626 1384879375 /nfs/dbraw/zinc/87/93/75/1384879375.db2.gz LPOBTLHLPLMELM-MJGOQNOKSA-N 1 0 330.428 3.345 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H](n1ccnc1[C@H]1CCC[NH2+]C1)CC2 ZINC001172921783 1384879500 /nfs/dbraw/zinc/87/95/00/1384879500.db2.gz SZVWOGMJDVBBIG-DLBZAZTESA-N 1 0 340.427 3.378 20 5 EGBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH+]3CC4CC(C4)C3)CC2)c(F)c1 ZINC001173017270 1384897947 /nfs/dbraw/zinc/89/79/47/1384897947.db2.gz AZTOGPBPIRXHSK-UHFFFAOYSA-N 1 0 337.370 3.184 20 5 EGBDRO CCCCC(=O)[C@H](C)[NH2+][C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173178131 1384931711 /nfs/dbraw/zinc/93/17/11/1384931711.db2.gz AHGFEKPCNKJLKL-RYUDHWBXSA-N 1 0 340.395 3.411 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@@H]2CCC(F)(F)C2)c1F ZINC001173175894 1384931935 /nfs/dbraw/zinc/93/19/35/1384931935.db2.gz URALUSHTYQRHMQ-VHSXEESVSA-N 1 0 332.322 3.451 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N(C(N)=[NH2+])c2ccccc2)c1F ZINC001173190227 1384932895 /nfs/dbraw/zinc/93/28/95/1384932895.db2.gz WHDCIOZNWVFGKQ-NSHDSACASA-N 1 0 346.362 3.074 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2CCC[C@H](CF)C2)c1F ZINC001173190731 1384933172 /nfs/dbraw/zinc/93/31/72/1384933172.db2.gz WGYISDJIVAQKQN-VXGBXAGGSA-N 1 0 328.359 3.355 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H](c1ccccc1)N(C)C ZINC001173214179 1384936887 /nfs/dbraw/zinc/93/68/87/1384936887.db2.gz MQNBQOGADXWWMG-DNVCBOLYSA-N 1 0 327.428 3.418 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCN(Cc2ccccc2)C1 ZINC001173213934 1384937091 /nfs/dbraw/zinc/93/70/91/1384937091.db2.gz JJXSAKDEXQJXOU-VQIMIIECSA-N 1 0 339.439 3.390 20 5 EGBDRO Cc1cccc2c1[C@@H]([NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)N2 ZINC001173212583 1384937249 /nfs/dbraw/zinc/93/72/49/1384937249.db2.gz BDMNCTKEQWRTPR-YVEFUNNKSA-N 1 0 325.368 3.117 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001173211258 1384937327 /nfs/dbraw/zinc/93/73/27/1384937327.db2.gz REDLKYXCAOWJQE-UKRRQHHQSA-N 1 0 349.431 3.125 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(Oc2ccncc2)CC1 ZINC001173221531 1384938247 /nfs/dbraw/zinc/93/82/47/1384938247.db2.gz JLJJRVOOAANTIO-OAHLLOKOSA-N 1 0 341.411 3.464 20 5 EGBDRO Cc1ccc2c(n1)N(C)CC[N@@H+]([C@H](C)Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001173225336 1384939495 /nfs/dbraw/zinc/93/94/95/1384939495.db2.gz NKTCXWFYKJPWFF-OAHLLOKOSA-N 1 0 340.427 3.181 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1COc2ccccc2C1 ZINC001173226796 1384940133 /nfs/dbraw/zinc/94/01/33/1384940133.db2.gz ZZQDPPVOCWCAIP-GDBMZVCRSA-N 1 0 326.396 3.367 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1(CNC(=O)OC(C)(C)C)CC1 ZINC001173231194 1384940668 /nfs/dbraw/zinc/94/06/68/1384940668.db2.gz YLIGVVVKAXTAQV-ZDUSSCGKSA-N 1 0 349.431 3.173 20 5 EGBDRO CCOC(=O)[C@H]1CCC[N@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC001173231399 1384940834 /nfs/dbraw/zinc/94/08/34/1384940834.db2.gz CFBSLXZWTSYUMF-VBQJREDUSA-N 1 0 334.416 3.189 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1c2ccccc2CC[C@@H]1O ZINC001173232032 1384941399 /nfs/dbraw/zinc/94/13/99/1384941399.db2.gz CIRPPQVSAMAUEB-ZNZDAUKMSA-N 1 0 326.396 3.164 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(NC(=O)C(C)(C)C)CC1 ZINC001173232304 1384941567 /nfs/dbraw/zinc/94/15/67/1384941567.db2.gz QPCCTHFUDZRNQG-AWEZNQCLSA-N 1 0 347.459 3.153 20 5 EGBDRO CCOC(=O)[C@H]1CC[C@H](C[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173236136 1384942054 /nfs/dbraw/zinc/94/20/54/1384942054.db2.gz XMLLJMBWXJTHES-XIRDDKMYSA-N 1 0 348.443 3.485 20 5 EGBDRO Cc1ncn([C@H](C)Cc2ccc([N+](=O)[O-])cc2)c1CSCC[NH3+] ZINC001173235453 1384942199 /nfs/dbraw/zinc/94/21/99/1384942199.db2.gz SWKCKAHFZSSSTN-GFCCVEGCSA-N 1 0 334.445 3.095 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1cccc2c1OCO2 ZINC001173238385 1384942717 /nfs/dbraw/zinc/94/27/17/1384942717.db2.gz QXVDSVMFQZAAFO-ZDUSSCGKSA-N 1 0 328.368 3.387 20 5 EGBDRO Cc1ccc(C)c(OC[C@@H](O)C[NH2+]Cc2ccccc2[N+](=O)[O-])c1C ZINC001335889505 1388960344 /nfs/dbraw/zinc/96/03/44/1388960344.db2.gz DNKVIIYDNDGKML-KRWDZBQOSA-N 1 0 344.411 3.050 20 5 EGBDRO C[NH+]1CCN(c2ccc(F)cc2Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC001174478604 1385112741 /nfs/dbraw/zinc/11/27/41/1385112741.db2.gz QTOPMKCYYDCKAP-UHFFFAOYSA-N 1 0 330.363 3.229 20 5 EGBDRO C[NH+]1CCN(c2ccc(F)cc2Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC001175737275 1385389989 /nfs/dbraw/zinc/38/99/89/1385389989.db2.gz XZSOLSQBVJAFLP-UHFFFAOYSA-N 1 0 348.353 3.368 20 5 EGBDRO CS[C@@H]1CC[C@@H]([N@H+](C)Cn2nc(C)c3cc([N+](=O)[O-])ccc32)C1 ZINC001319748831 1386278888 /nfs/dbraw/zinc/27/88/88/1386278888.db2.gz CBONLMGNWWTNDP-TZMCWYRMSA-N 1 0 334.445 3.426 20 5 EGBDRO CS[C@H]1CC[C@H]([N@H+](C)Cn2nc(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC001319788285 1386296424 /nfs/dbraw/zinc/29/64/24/1386296424.db2.gz XOFUNMOAJPJZPG-JSGCOSHPSA-N 1 0 334.445 3.426 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(CN2C[C@@H]3C[NH2+]C[C@H]3C2)o1 ZINC001319841505 1386329672 /nfs/dbraw/zinc/32/96/72/1386329672.db2.gz JACQXDRSFNUDMZ-RYUDHWBXSA-N 1 0 347.802 3.159 20 5 EGBDRO Cc1cncc([N+](=O)[O-])c1NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC001322495705 1387195723 /nfs/dbraw/zinc/19/57/23/1387195723.db2.gz LZZDYOKKRDFLLX-IBGZPJMESA-N 1 0 340.427 3.044 20 5 EGBDRO C[C@@H]([NH2+]CCOc1ccc2c(c1)CCC2)c1ccc(N)c([N+](=O)[O-])c1 ZINC001330357508 1389396217 /nfs/dbraw/zinc/39/62/17/1389396217.db2.gz UVSBQBSPGONZTF-CYBMUJFWSA-N 1 0 341.411 3.395 20 5 EGBDRO C[NH2+]C[C@H]1CCCCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC001333234615 1390269580 /nfs/dbraw/zinc/26/95/80/1390269580.db2.gz CBLATMWABGCKJV-CYBMUJFWSA-N 1 0 333.413 3.024 20 5 EGBDRO C[C@@H](NC(=O)[C@H](C)[C@@H]([NH3+])c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC001342593163 1390630257 /nfs/dbraw/zinc/63/02/57/1390630257.db2.gz VFFVNXSADQBSTD-PBFPGSCMSA-N 1 0 327.384 3.108 20 5 EGBDRO CC[C@H](Cc1ccc(F)cc1)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001335412713 1390681435 /nfs/dbraw/zinc/68/14/35/1390681435.db2.gz JUQVSTSBQAWVGP-SJLPKXTDSA-N 1 0 332.375 3.378 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](CO)CC1CCOCC1 ZINC001343794408 1390737226 /nfs/dbraw/zinc/73/72/26/1390737226.db2.gz HRPWZSYKWRSKBP-IKFRKZOMSA-N 1 0 348.443 3.013 20 5 EGBDRO Cc1nc(NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC001344114099 1390756677 /nfs/dbraw/zinc/75/66/77/1390756677.db2.gz VTGKCLGKRSJFHI-MRXNPFEDSA-N 1 0 341.415 3.017 20 5 EGBDRO C[NH+](C)C1(CNc2cc(C(F)(F)F)ccc2[N+](=O)[O-])CCOCC1 ZINC001353200695 1391957317 /nfs/dbraw/zinc/95/73/17/1391957317.db2.gz GORNUCYFMNTYLP-UHFFFAOYSA-N 1 0 347.337 3.136 20 5 EGBDRO C[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)[C@@H]1CCC[NH3+] ZINC001354298350 1392136890 /nfs/dbraw/zinc/13/68/90/1392136890.db2.gz RIRSGLJBNZNOTB-NKGKWGDASA-N 1 0 345.443 3.064 20 5 EGBDRO CC/C=C(/C)C(=O)NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCC1 ZINC001754977958 1440720630 /nfs/dbraw/zinc/72/06/30/1440720630.db2.gz NUBOYNNJNYGNQG-NSIKDUERSA-N 1 0 331.416 3.080 20 5 EGBDRO CC(C)C(C)(C)C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001755470788 1440858785 /nfs/dbraw/zinc/85/87/85/1440858785.db2.gz DVMOZKMKBGXJHE-KOMQPUFPSA-N 1 0 347.459 3.261 20 5 EGBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1cc(Cl)nc2ccc([N+](=O)[O-])cc21 ZINC001164637600 719238206 /nfs/dbraw/zinc/23/82/06/719238206.db2.gz WNZNDQPVWHPOTN-WDEREUQCSA-N 1 0 334.807 3.325 20 5 EGBDRO CC[NH+](CC)C1CCN(c2ccc3c(cccc3[N+](=O)[O-])n2)CC1 ZINC001165053064 722002607 /nfs/dbraw/zinc/00/26/07/722002607.db2.gz IHRVEQNVXKHADF-UHFFFAOYSA-N 1 0 328.416 3.454 20 5 EGBDRO Cc1cccc(C(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000054260511 214228927 /nfs/dbraw/zinc/22/89/27/214228927.db2.gz PCANEJFNNYVRBH-ZIAGYGMSSA-N 1 0 347.459 3.390 20 5 EGBDRO CC[C@@](C)([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1nc(C)cs1 ZINC000154599595 529506510 /nfs/dbraw/zinc/50/65/10/529506510.db2.gz ZGKRCSZWEINCLN-GDBMZVCRSA-N 1 0 335.429 3.308 20 5 EGBDRO CC[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1nc(C)cs1 ZINC000184420599 529595330 /nfs/dbraw/zinc/59/53/30/529595330.db2.gz VYFMACVGORJZNT-LBPRGKRZSA-N 1 0 348.428 3.429 20 5 EGBDRO C[NH+](C)[C@H](CNC(=O)/C=C\c1cccc([N+](=O)[O-])c1)c1ccsc1 ZINC000098006441 219068295 /nfs/dbraw/zinc/06/82/95/219068295.db2.gz WPUDLXIGMKQMFF-MWWKQMNYSA-N 1 0 345.424 3.089 20 5 EGBDRO CC[C@H]([NH2+]C[C@@H](O)COCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000178654150 529612767 /nfs/dbraw/zinc/61/27/67/529612767.db2.gz LYIICXVZKSONBQ-MOPGFXCFSA-N 1 0 344.411 3.213 20 5 EGBDRO C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000174829114 529995724 /nfs/dbraw/zinc/99/57/24/529995724.db2.gz WDRLHSWPOZVEGQ-UHFFFAOYSA-N 1 0 349.431 3.426 20 5 EGBDRO C[C@H](c1ccccc1)[C@H](C)[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000178205976 232107332 /nfs/dbraw/zinc/10/73/32/232107332.db2.gz UKGKIKNEBJSRRH-KBPBESRZSA-N 1 0 327.384 3.315 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)c(Cl)c1 ZINC000183916560 235261150 /nfs/dbraw/zinc/26/11/50/235261150.db2.gz KKICRLOIFNRJRD-DOMZBBRYSA-N 1 0 342.848 3.393 20 5 EGBDRO COc1cc(C[N@@H+]2CCCC[C@H](SC)C2)c([N+](=O)[O-])cc1F ZINC000184267361 235350661 /nfs/dbraw/zinc/35/06/61/235350661.db2.gz TWUNPDKWHXUIIB-LBPRGKRZSA-N 1 0 328.409 3.460 20 5 EGBDRO C[C@@H](NC(=O)NCC[C@@H](C)[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000184886710 235520342 /nfs/dbraw/zinc/52/03/42/235520342.db2.gz ZMLOVQSLGIFACI-HUUCEWRRSA-N 1 0 348.447 3.220 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000191404019 239094657 /nfs/dbraw/zinc/09/46/57/239094657.db2.gz PPCRSXSNUGZAKI-UHFFFAOYSA-N 1 0 346.431 3.304 20 5 EGBDRO C[C@@H](O)[C@@](C)(C[NH2+]Cc1csc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000191709252 239258429 /nfs/dbraw/zinc/25/84/29/239258429.db2.gz DWNBHCZDPGTIFG-CXAGYDPISA-N 1 0 334.441 3.376 20 5 EGBDRO C[C@@H](O)[C@@](C)(C[NH2+]Cc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000191711964 239260912 /nfs/dbraw/zinc/26/09/12/239260912.db2.gz YPXCQMXIONFKPR-DNVCBOLYSA-N 1 0 328.412 3.314 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000192510264 239757312 /nfs/dbraw/zinc/75/73/12/239757312.db2.gz BFXDZKUTAATBQN-ZIAGYGMSSA-N 1 0 333.432 3.001 20 5 EGBDRO Cc1c(NC(=O)CC[NH2+][C@H]2CC(C)(C)OC2(C)C)cccc1[N+](=O)[O-] ZINC000132492821 223336588 /nfs/dbraw/zinc/33/65/88/223336588.db2.gz VQLGQWXVMXFSJG-HNNXBMFYSA-N 1 0 349.431 3.168 20 5 EGBDRO CC(C)c1ccc([C@H]([NH3+])CNC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000236778152 242353119 /nfs/dbraw/zinc/35/31/19/242353119.db2.gz PFHDYOURQXNTSZ-QGZVFWFLSA-N 1 0 327.384 3.148 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCS[C@H](C)[C@H]1C ZINC000246410439 243246615 /nfs/dbraw/zinc/24/66/15/243246615.db2.gz QJGTYLWBSYQZGM-CHWSQXEVSA-N 1 0 337.445 3.058 20 5 EGBDRO O=C(CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)N1Cc2ccccc2C1 ZINC000111406134 220151891 /nfs/dbraw/zinc/15/18/91/220151891.db2.gz HZZUPEQBNGLQJD-UHFFFAOYSA-N 1 0 339.395 3.007 20 5 EGBDRO O=[N+]([O-])c1ccc(OCCC[NH+]2CCC([C@H]3CCOC3)CC2)cc1 ZINC000376356503 168895420 /nfs/dbraw/zinc/89/54/20/168895420.db2.gz WHIJKIPVGMJIOJ-INIZCTEOSA-N 1 0 334.416 3.112 20 5 EGBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000408193120 169164918 /nfs/dbraw/zinc/16/49/18/169164918.db2.gz QYALULYKQUCPHP-UPJWGTAASA-N 1 0 338.839 3.485 20 5 EGBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000408193119 169165065 /nfs/dbraw/zinc/16/50/65/169165065.db2.gz QYALULYKQUCPHP-JHJVBQTASA-N 1 0 338.839 3.485 20 5 EGBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000095410155 218347223 /nfs/dbraw/zinc/34/72/23/218347223.db2.gz NCPLZDKIWHBEKL-UHFFFAOYSA-N 1 0 345.443 3.004 20 5 EGBDRO CSC[C@](C)(O)C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000245526138 295627504 /nfs/dbraw/zinc/62/75/04/295627504.db2.gz FIJBCUAWNKLXTM-YSVLISHTSA-N 1 0 338.473 3.010 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@@H]3C[C@H]4CC[C@@H]3O4)cs2)c1 ZINC000152752646 224008170 /nfs/dbraw/zinc/00/81/70/224008170.db2.gz PXNJJKAMGPJNGB-KFWWJZLASA-N 1 0 331.397 3.128 20 5 EGBDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000268793739 252246963 /nfs/dbraw/zinc/24/69/63/252246963.db2.gz XRMMMQHHDLYNRF-AWEZNQCLSA-N 1 0 348.447 3.040 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H]1CCCC1(C)C ZINC000191858002 533139066 /nfs/dbraw/zinc/13/90/66/533139066.db2.gz BPAXDPWNLCCYQU-HNNXBMFYSA-N 1 0 335.404 3.100 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)N(C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000119092945 221241940 /nfs/dbraw/zinc/24/19/40/221241940.db2.gz JOKIERMTHYHEGC-OAHLLOKOSA-N 1 0 341.411 3.212 20 5 EGBDRO Cc1ccccc1[C@@H](C)[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000119676213 221373876 /nfs/dbraw/zinc/37/38/76/221373876.db2.gz KIFFNGZWQXFJNI-CQSZACIVSA-N 1 0 339.395 3.143 20 5 EGBDRO Cc1c(C[NH2+]C2CCN(C(=O)C(C)(C)C)CC2)cccc1[N+](=O)[O-] ZINC000237598234 141010238 /nfs/dbraw/zinc/01/02/38/141010238.db2.gz QYSXOKYADZGLCJ-UHFFFAOYSA-N 1 0 333.432 3.030 20 5 EGBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@@H]3CCCC(F)(F)C3)CC2)n1 ZINC000338365034 141108546 /nfs/dbraw/zinc/10/85/46/141108546.db2.gz VRFMGTCHYULDQG-GFCCVEGCSA-N 1 0 328.363 3.254 20 5 EGBDRO CCCN(CC[NH+]1CCCCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000353358376 141294498 /nfs/dbraw/zinc/29/44/98/141294498.db2.gz XJILGCVKJKFKMV-UHFFFAOYSA-N 1 0 334.420 3.325 20 5 EGBDRO C[NH+](C)[C@]1(CNc2ccc([N+](=O)[O-])cc2OC(F)F)CCSC1 ZINC000354567458 141307613 /nfs/dbraw/zinc/30/76/13/141307613.db2.gz FMPFHQIHWZLOMR-AWEZNQCLSA-N 1 0 347.387 3.045 20 5 EGBDRO COc1ccc(NC(=O)CC[N@@H+]2CCC3(CCCC3)C2)c([N+](=O)[O-])c1 ZINC000173824242 144049319 /nfs/dbraw/zinc/04/93/19/144049319.db2.gz NUINBEWFUIMAAC-UHFFFAOYSA-N 1 0 347.415 3.198 20 5 EGBDRO CCOC(=O)C[C@@](C)([NH2+]Cc1c(F)cccc1[N+](=O)[O-])C(C)C ZINC000186693960 144140989 /nfs/dbraw/zinc/14/09/89/144140989.db2.gz JIEFFRQVGPSBPH-MRXNPFEDSA-N 1 0 326.368 3.191 20 5 EGBDRO CCn1nc(C)c([N+](=O)[O-])c1N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000192681983 144177506 /nfs/dbraw/zinc/17/75/06/144177506.db2.gz XHKMJADFONNDOE-XJKSGUPXSA-N 1 0 343.431 3.195 20 5 EGBDRO Cc1cc(C(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000303454575 154046042 /nfs/dbraw/zinc/04/60/42/154046042.db2.gz KIUGHRMJSNZEKR-OAHLLOKOSA-N 1 0 341.411 3.154 20 5 EGBDRO Cc1ccc2c(c1)C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000337432348 154349907 /nfs/dbraw/zinc/34/99/07/154349907.db2.gz VQNRXUPHPZAVQF-UHFFFAOYSA-N 1 0 325.368 3.248 20 5 EGBDRO CSCC[C@H](CO)[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000358317664 156804658 /nfs/dbraw/zinc/80/46/58/156804658.db2.gz LFMCGUZSGPQWJU-BMFZPTHFSA-N 1 0 338.473 3.010 20 5 EGBDRO C[C@@H](CCO)[N@H+](CCOc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000093311114 162001455 /nfs/dbraw/zinc/00/14/55/162001455.db2.gz PPAUWBIHWGJVDO-INIZCTEOSA-N 1 0 344.411 3.247 20 5 EGBDRO CC[N@@H+]1CC[C@@H](N(C)c2ccc([N+](=O)[O-])c3cnccc32)C[C@H]1C ZINC000354354873 166008358 /nfs/dbraw/zinc/00/83/58/166008358.db2.gz RPLGRVQEODOWLM-ZIAGYGMSSA-N 1 0 328.416 3.452 20 5 EGBDRO O=C(Nc1cccc([N+](=O)[O-])c1)c1ccccc1CC1CC[NH2+]CC1 ZINC000342720937 163949972 /nfs/dbraw/zinc/94/99/72/163949972.db2.gz HGIJRGCBJYDQTC-UHFFFAOYSA-N 1 0 339.395 3.389 20 5 EGBDRO COC1CCN(C(C)(C)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000343977171 164076040 /nfs/dbraw/zinc/07/60/40/164076040.db2.gz KSCMKVJOAQVLKW-AWEZNQCLSA-N 1 0 335.448 3.135 20 5 EGBDRO CC[C@@]1(C)CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000344232794 164132699 /nfs/dbraw/zinc/13/26/99/164132699.db2.gz HUGCIOOFYYRDKM-KRWDZBQOSA-N 1 0 335.404 3.054 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCOC3(CCOCC3)C2)c(Cl)c1 ZINC000344298469 164149489 /nfs/dbraw/zinc/14/94/89/164149489.db2.gz DUVGWCQWAMVPBU-CYBMUJFWSA-N 1 0 340.807 3.066 20 5 EGBDRO C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCCN1C ZINC000344332832 164158509 /nfs/dbraw/zinc/15/85/09/164158509.db2.gz ZTQGWWARVQVPIE-CJNGLKHVSA-N 1 0 329.400 3.427 20 5 EGBDRO COc1ccc(-c2ccc(C[NH2+]CC3(CO)CCC3)o2)c([N+](=O)[O-])c1 ZINC000344353745 164162704 /nfs/dbraw/zinc/16/27/04/164162704.db2.gz QWLCGIDRIFZTFC-UHFFFAOYSA-N 1 0 346.383 3.116 20 5 EGBDRO COc1ccc(-c2ccc(C[NH2+][C@@H](CCO)C(C)C)o2)c([N+](=O)[O-])c1 ZINC000344531842 164187899 /nfs/dbraw/zinc/18/78/99/164187899.db2.gz FQMQWFXTXCHOAA-INIZCTEOSA-N 1 0 348.399 3.360 20 5 EGBDRO O=[N+]([O-])c1cccc(OC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c1 ZINC000351904913 165143516 /nfs/dbraw/zinc/14/35/16/165143516.db2.gz RCYPPMKILQKWNZ-LJQANCHMSA-N 1 0 342.395 3.265 20 5 EGBDRO C[C@]1(c2ccccc2)CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000352186483 165274920 /nfs/dbraw/zinc/27/49/20/165274920.db2.gz MHMBGXCDSCFNHV-SFHVURJKSA-N 1 0 328.416 3.235 20 5 EGBDRO CCC(C)(C)[NH2+][C@@H](C)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000355657246 166275247 /nfs/dbraw/zinc/27/52/47/166275247.db2.gz WAFHRGCODMLFHK-AWEZNQCLSA-N 1 0 335.448 3.499 20 5 EGBDRO COc1ccc(-c2ccc(C[NH2+]CCC(C)(C)O)o2)c([N+](=O)[O-])c1 ZINC000359412029 167148478 /nfs/dbraw/zinc/14/84/78/167148478.db2.gz SYLYCJNXURHOFR-UHFFFAOYSA-N 1 0 334.372 3.114 20 5 EGBDRO Cc1c(C[NH2+]Cc2ccc(N(C)C(C)C)nc2)cccc1[N+](=O)[O-] ZINC000359812806 167239906 /nfs/dbraw/zinc/23/99/06/167239906.db2.gz XIXZCZSQYDHDFL-UHFFFAOYSA-N 1 0 328.416 3.433 20 5 EGBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000177603249 265266402 /nfs/dbraw/zinc/26/64/02/265266402.db2.gz QRXPGADCZKDXIU-QWHCGFSZSA-N 1 0 347.440 3.412 20 5 EGBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2ccnc(OC)c2)cc1[N+](=O)[O-] ZINC000179397992 265375404 /nfs/dbraw/zinc/37/54/04/265375404.db2.gz QIQQLPHKYGYKFW-GFCCVEGCSA-N 1 0 331.372 3.248 20 5 EGBDRO Cc1cc(C(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000195694596 266189713 /nfs/dbraw/zinc/18/97/13/266189713.db2.gz QXKKHWFXOIGOPU-GASCZTMLSA-N 1 0 347.459 3.390 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c(Br)c1 ZINC000221427562 266195742 /nfs/dbraw/zinc/19/57/42/266195742.db2.gz YPEQVIPLUQNWJV-KBPBESRZSA-N 1 0 340.221 3.396 20 5 EGBDRO C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000237363497 266232049 /nfs/dbraw/zinc/23/20/49/266232049.db2.gz LEKSGWVLKHIIGS-AWEZNQCLSA-N 1 0 342.395 3.477 20 5 EGBDRO Cc1cccnc1[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000269621960 266327818 /nfs/dbraw/zinc/32/78/18/266327818.db2.gz BKCBVEMOAMXCQZ-IAGOWNOFSA-N 1 0 329.400 3.319 20 5 EGBDRO Cc1csc(C2([NH2+]C[C@H](O)c3cccc([N+](=O)[O-])c3)CCCC2)n1 ZINC000269655516 266336247 /nfs/dbraw/zinc/33/62/47/266336247.db2.gz OEAMRSICQBLDIG-HNNXBMFYSA-N 1 0 347.440 3.452 20 5 EGBDRO COCC[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H](C)c1ccccc1 ZINC000269679015 266339309 /nfs/dbraw/zinc/33/93/09/266339309.db2.gz XTCGKEZSCVOPOE-KXBFYZLASA-N 1 0 344.411 3.338 20 5 EGBDRO COc1cc(NC2CC[NH+](CC(C)C)CC2)c([N+](=O)[O-])cc1OC ZINC000270998783 266587571 /nfs/dbraw/zinc/58/75/71/266587571.db2.gz FUQWCKJJBHBOEV-UHFFFAOYSA-N 1 0 337.420 3.144 20 5 EGBDRO C[C@@H](NC(=O)N(C)[C@H](C)C1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000273522488 267053229 /nfs/dbraw/zinc/05/32/29/267053229.db2.gz YWTWCSWYRVERLD-ZIAGYGMSSA-N 1 0 348.447 3.028 20 5 EGBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)[C@]12CCCO2 ZINC000273537102 267055483 /nfs/dbraw/zinc/05/54/83/267055483.db2.gz AQMZJSHDXOJHSG-BZUAXINKSA-N 1 0 340.807 3.064 20 5 EGBDRO Cc1cc(N2CCC([NH2+]Cc3cc(Cl)ccc3[N+](=O)[O-])CC2)n[nH]1 ZINC000276122524 267480845 /nfs/dbraw/zinc/48/08/45/267480845.db2.gz ZAKTXRYRZKQUMN-UHFFFAOYSA-N 1 0 349.822 3.038 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[NH+]2CCC(Oc3ncccc3F)CC2)cc1 ZINC000278391083 268002184 /nfs/dbraw/zinc/00/21/84/268002184.db2.gz VHAKZNJCTWSVHN-UHFFFAOYSA-N 1 0 345.374 3.215 20 5 EGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCCN1CCCO[C@H](C)C1 ZINC000278564540 268039656 /nfs/dbraw/zinc/03/96/56/268039656.db2.gz PGQODKDXQBJHDC-IAGOWNOFSA-N 1 0 349.475 3.006 20 5 EGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCCN1CCCO[C@@H](C)C1 ZINC000278564546 268040606 /nfs/dbraw/zinc/04/06/06/268040606.db2.gz PGQODKDXQBJHDC-SJORKVTESA-N 1 0 349.475 3.006 20 5 EGBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCc1ccccc1 ZINC000119909059 274206442 /nfs/dbraw/zinc/20/64/42/274206442.db2.gz GZQAKUAETFMIGB-AWEZNQCLSA-N 1 0 327.384 3.144 20 5 EGBDRO C[C@H]([NH2+][C@H]1C[C@@H](C)N(c2ccccc2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000173449692 274531223 /nfs/dbraw/zinc/53/12/23/274531223.db2.gz QPKGAUGWPZRJRA-GLJUWKHASA-N 1 0 339.395 3.439 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]([NH+]3CC=CC3)C2)c(C(F)(F)F)c1 ZINC000266297620 275036792 /nfs/dbraw/zinc/03/67/92/275036792.db2.gz XYPYJMOTAGPELJ-GFCCVEGCSA-N 1 0 327.306 3.064 20 5 EGBDRO CC(C)(CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000069179745 275151286 /nfs/dbraw/zinc/15/12/86/275151286.db2.gz DVPHIBFZAWQBOO-UHFFFAOYSA-N 1 0 339.823 3.243 20 5 EGBDRO CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000278820918 275277939 /nfs/dbraw/zinc/27/79/39/275277939.db2.gz SMSRFCKITPQRKW-RVKKMQEKSA-N 1 0 345.443 3.209 20 5 EGBDRO CNC(=O)C1CCC([NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000279182074 275310446 /nfs/dbraw/zinc/31/04/46/275310446.db2.gz VQOKUQYKPCXSNO-QWQCLYJRSA-N 1 0 345.443 3.212 20 5 EGBDRO COC(=O)N1CCC([NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000279193501 275311363 /nfs/dbraw/zinc/31/13/63/275311363.db2.gz WOSWHGBJVFODPW-INIZCTEOSA-N 1 0 347.415 3.138 20 5 EGBDRO CO[C@]1(C)CCC[N@@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000279291222 275319794 /nfs/dbraw/zinc/31/97/94/275319794.db2.gz LCPCWRWHVPSSHU-YVEFUNNKSA-N 1 0 346.387 3.207 20 5 EGBDRO O=[N+]([O-])c1cc(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc(C(F)(F)F)c1 ZINC000279556965 275339701 /nfs/dbraw/zinc/33/97/01/275339701.db2.gz RKLAQOBEFPLHQX-KGLIPLIRSA-N 1 0 343.349 3.330 20 5 EGBDRO COc1ccc(C[NH2+][C@@H](C)[C@H](OC)c2ccccc2)cc1[N+](=O)[O-] ZINC000279773638 275358380 /nfs/dbraw/zinc/35/83/80/275358380.db2.gz SPKSEWHQKGXIPI-UGSOOPFHSA-N 1 0 330.384 3.469 20 5 EGBDRO C[S@@](=O)C1(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCC1 ZINC000280517692 275459999 /nfs/dbraw/zinc/45/99/99/275459999.db2.gz ATZZJLCRPSZSRF-XMMPIXPASA-N 1 0 348.424 3.246 20 5 EGBDRO CCC(=O)c1ccc(NCC2CC[NH+](C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000281508591 275554575 /nfs/dbraw/zinc/55/45/75/275554575.db2.gz PGGQSVGPQQEXQN-UHFFFAOYSA-N 1 0 331.416 3.474 20 5 EGBDRO C[C@@H]([NH2+]C[C@@H](C[C@H](C)O)c1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284222034 275783336 /nfs/dbraw/zinc/78/33/36/275783336.db2.gz UDOJRNFNWSPRBH-JJRVBVJISA-N 1 0 343.427 3.382 20 5 EGBDRO O=[N+]([O-])c1cc(F)c(CN2CCC([NH+]3CCCCC3)CC2)c(F)c1 ZINC000285824087 275916888 /nfs/dbraw/zinc/91/68/88/275916888.db2.gz BLLHKQFDDSCFIY-UHFFFAOYSA-N 1 0 339.386 3.323 20 5 EGBDRO CC[NH+](CC)C[C@H]1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000286556096 276016339 /nfs/dbraw/zinc/01/63/39/276016339.db2.gz VENTUGICEFPWLD-GFCCVEGCSA-N 1 0 327.375 3.037 20 5 EGBDRO CC1CC[NH+](C[C@@H]2CCCN(c3cc(N)ccc3[N+](=O)[O-])C2)CC1 ZINC000193401006 276198533 /nfs/dbraw/zinc/19/85/33/276198533.db2.gz UNTGIFALJZGMRP-HNNXBMFYSA-N 1 0 332.448 3.125 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000289146161 276296628 /nfs/dbraw/zinc/29/66/28/276296628.db2.gz UVXSARJIZBFDEY-GDBMZVCRSA-N 1 0 346.431 3.302 20 5 EGBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2CC)C1 ZINC000289643742 276371121 /nfs/dbraw/zinc/37/11/21/276371121.db2.gz CVIPCFRGQWTLJW-CQSZACIVSA-N 1 0 348.447 3.353 20 5 EGBDRO Cc1ccc(C[NH2+]C[C@@]2(CO)C[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000289773650 276391865 /nfs/dbraw/zinc/39/18/65/276391865.db2.gz IYQVLHUYYWDFHV-IEBWSBKVSA-N 1 0 326.396 3.159 20 5 EGBDRO C[NH+]1CCC(C)(CNC(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000289790182 276394943 /nfs/dbraw/zinc/39/49/43/276394943.db2.gz UFRUJFBCZZNADM-UHFFFAOYSA-N 1 0 340.811 3.102 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000289798348 276396539 /nfs/dbraw/zinc/39/65/39/276396539.db2.gz NBCMRKBVOKPEBT-OAHLLOKOSA-N 1 0 348.447 3.495 20 5 EGBDRO COc1ccc(C[NH2+]C[C@]2(C)OCCc3sccc32)cc1[N+](=O)[O-] ZINC000289880419 276411983 /nfs/dbraw/zinc/41/19/83/276411983.db2.gz RUHCSRZJHWDWEU-KRWDZBQOSA-N 1 0 348.424 3.243 20 5 EGBDRO C[NH+](C)CCN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)C1CCCCC1 ZINC000344206548 276785775 /nfs/dbraw/zinc/78/57/75/276785775.db2.gz FTVZRBVXRPEOIY-UHFFFAOYSA-N 1 0 337.395 3.070 20 5 EGBDRO CC(C)c1ccc(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000188055079 278023625 /nfs/dbraw/zinc/02/36/25/278023625.db2.gz CGRUCOPKSBMIOI-WBVHZDCISA-N 1 0 345.443 3.275 20 5 EGBDRO CSc1ccc(C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000264613222 278171610 /nfs/dbraw/zinc/17/16/10/278171610.db2.gz PZFKLZSAKGMXQX-AWEZNQCLSA-N 1 0 349.456 3.017 20 5 EGBDRO C[C@@H]1[C@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CCC[N@@H+]1C ZINC000343425502 279124728 /nfs/dbraw/zinc/12/47/28/279124728.db2.gz DIXASZFRUZUPIZ-ZWNOBZJWSA-N 1 0 333.413 3.022 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)N2C[C@@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000181806796 280977456 /nfs/dbraw/zinc/97/74/56/280977456.db2.gz BYHVBNKWNZXEDL-YDHLFZDLSA-N 1 0 333.432 3.058 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@H](O)c1ccc(F)cc1)C1CC1 ZINC000124785935 304807493 /nfs/dbraw/zinc/80/74/93/304807493.db2.gz SXOHALAAEDKLLD-HKUYNNGSSA-N 1 0 344.386 3.378 20 5 EGBDRO C[C@@H](C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000413594269 309038753 /nfs/dbraw/zinc/03/87/53/309038753.db2.gz XJSHBZAGLNNTHK-MJBXVCDLSA-N 1 0 333.432 3.207 20 5 EGBDRO C[C@H](C(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])[N@H+]1[C@H](C)CC[C@@H]1C ZINC000413823411 309049121 /nfs/dbraw/zinc/04/91/21/309049121.db2.gz AANKHHICSADQPF-HZSPNIEDSA-N 1 0 333.432 3.207 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H]3CCCC[C@@H]3O)o2)cc1 ZINC000077465363 307412558 /nfs/dbraw/zinc/41/25/58/307412558.db2.gz OJUBYGRVYNLJFF-PBHICJAKSA-N 1 0 330.384 3.496 20 5 EGBDRO NC(=O)C[C@H]([NH2+]Cc1c(Cl)cccc1[N+](=O)[O-])C1CCCCC1 ZINC000119875198 307500895 /nfs/dbraw/zinc/50/08/95/307500895.db2.gz NFVPJZVXEOGUPY-AWEZNQCLSA-N 1 0 339.823 3.162 20 5 EGBDRO C[C@@H]1C[C@@H](O)C[C@H](C)[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000248854200 308013289 /nfs/dbraw/zinc/01/32/89/308013289.db2.gz VJYIEKUUBUHMBH-YWVIFJGQSA-N 1 0 345.399 3.026 20 5 EGBDRO O=C(/C=C\c1ccccc1[N+](=O)[O-])N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000254974672 308036007 /nfs/dbraw/zinc/03/60/07/308036007.db2.gz LSJALWSNEGWRQK-MQNTZWLQSA-N 1 0 343.427 3.085 20 5 EGBDRO CC[NH+](CC)CCC[C@H](C)NC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000255660630 308056986 /nfs/dbraw/zinc/05/69/86/308056986.db2.gz QTKXAAORKBJKDD-LLNWESEBSA-N 1 0 333.432 3.235 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C1(CO)C2CC3CC(C2)CC1C3 ZINC000414538176 309087398 /nfs/dbraw/zinc/08/73/98/309087398.db2.gz AKMHNIAUWDRWPA-HWKANZROSA-N 1 0 342.439 3.385 20 5 EGBDRO C[C@H](C[C@H](O)c1cccs1)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294814008 308259965 /nfs/dbraw/zinc/25/99/65/308259965.db2.gz PWSBIIIRRHATLA-HFAKWTLXSA-N 1 0 335.429 3.401 20 5 EGBDRO C[C@@H]1CN(c2ccc3ncccc3c2[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000295000442 308280189 /nfs/dbraw/zinc/28/01/89/308280189.db2.gz RSNRDDWESBPPAX-ZDUSSCGKSA-N 1 0 326.400 3.064 20 5 EGBDRO CC[C@@](C[NH2+]Cc1csc([N+](=O)[O-])c1)(C(=O)OC)c1ccccc1 ZINC000414590061 309091067 /nfs/dbraw/zinc/09/10/67/309091067.db2.gz QUJKHNISNHLQQP-KRWDZBQOSA-N 1 0 348.424 3.267 20 5 EGBDRO Cc1ccccc1C[NH+]1CCC(Nc2ncc([N+](=O)[O-])c(C)n2)CC1 ZINC000295536437 308336699 /nfs/dbraw/zinc/33/66/99/308336699.db2.gz NXZYYRWTJONTRS-UHFFFAOYSA-N 1 0 341.415 3.078 20 5 EGBDRO CC(C)C[C@@H]([NH3+])c1noc(Cn2ccc3cc([N+](=O)[O-])ccc32)n1 ZINC000414615870 309091588 /nfs/dbraw/zinc/09/15/88/309091588.db2.gz JCXRKIYXYACIKB-CYBMUJFWSA-N 1 0 329.360 3.027 20 5 EGBDRO C[C@@H](C[NH3+])N(C)Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000414657179 309094085 /nfs/dbraw/zinc/09/40/85/309094085.db2.gz JZBMEWQWTKGEMZ-LBPRGKRZSA-N 1 0 333.363 3.305 20 5 EGBDRO O=[N+]([O-])c1cc(CN2CC[NH2+]CC2)ccc1Oc1ccccc1Cl ZINC000414661420 309094436 /nfs/dbraw/zinc/09/44/36/309094436.db2.gz WZYBQUVJSKVZGM-UHFFFAOYSA-N 1 0 347.802 3.446 20 5 EGBDRO CC(C)N(CC[NH+](C)C)C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000297674281 308555175 /nfs/dbraw/zinc/55/51/75/308555175.db2.gz HPHLBTUFHXEJQR-UHFFFAOYSA-N 1 0 347.337 3.026 20 5 EGBDRO C[C@H](NC(=O)NCCCCC[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000297698420 308556677 /nfs/dbraw/zinc/55/66/77/308556677.db2.gz HZHLQUBSEAUVGG-HNNXBMFYSA-N 1 0 348.447 3.221 20 5 EGBDRO C[NH+](C)C1(CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCCCC1 ZINC000298083795 308583493 /nfs/dbraw/zinc/58/34/93/308583493.db2.gz NKSKAUYVNJRCMC-UHFFFAOYSA-N 1 0 339.823 3.243 20 5 EGBDRO CC(C)[NH+]1CCC(N(C)C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000298165125 308589571 /nfs/dbraw/zinc/58/95/71/308589571.db2.gz VOGATXCCOIABCT-UHFFFAOYSA-N 1 0 339.823 3.193 20 5 EGBDRO CC(C)C[NH+]1CCC(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000299311830 308669405 /nfs/dbraw/zinc/66/94/05/308669405.db2.gz FMSBKTHZOGEDKU-UHFFFAOYSA-N 1 0 345.399 3.191 20 5 EGBDRO Cc1ccnc(NCC2([NH+]3CCSCC3)CCCC2)c1[N+](=O)[O-] ZINC000301272102 308694376 /nfs/dbraw/zinc/69/43/76/308694376.db2.gz HYTGKFFKZNACOI-UHFFFAOYSA-N 1 0 336.461 3.072 20 5 EGBDRO O=[N+]([O-])c1cc(F)c(N2CCC[C@@H]2C[NH+]2CCCCC2)c(F)c1 ZINC000302406390 308736883 /nfs/dbraw/zinc/73/68/83/308736883.db2.gz GSFXLAOSQCLUEW-GFCCVEGCSA-N 1 0 325.359 3.328 20 5 EGBDRO CC(C)C[C@H](CO)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000304011380 308755875 /nfs/dbraw/zinc/75/58/75/308755875.db2.gz BPZXCGNYYQFZHM-CYBMUJFWSA-N 1 0 335.429 3.215 20 5 EGBDRO CC(C)([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000411230405 308931862 /nfs/dbraw/zinc/93/18/62/308931862.db2.gz PSGANLVYFMVZFS-UHFFFAOYSA-N 1 0 327.384 3.448 20 5 EGBDRO O=[N+]([O-])c1cnc(NCCC[NH+]2CCCCC2)c(C(F)(F)F)c1 ZINC000413029039 309012288 /nfs/dbraw/zinc/01/22/88/309012288.db2.gz FGOOICLFTDYZGA-UHFFFAOYSA-N 1 0 332.326 3.297 20 5 EGBDRO CC1CC[NH+](CCNc2ncc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000413048399 309013308 /nfs/dbraw/zinc/01/33/08/309013308.db2.gz AYODPRWWTYOKSA-UHFFFAOYSA-N 1 0 332.326 3.152 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCC[C@@H]([NH+]3CCCC3)C2)c2cccnc21 ZINC000413059331 309013942 /nfs/dbraw/zinc/01/39/42/309013942.db2.gz FEXVCWPQFZFTLM-CQSZACIVSA-N 1 0 326.400 3.208 20 5 EGBDRO O=[N+]([O-])c1ccc2ccnc(N3CC[C@H](C[NH+]4CCCCC4)C3)c2c1 ZINC000413177947 309019907 /nfs/dbraw/zinc/01/99/07/309019907.db2.gz STWBVONFGOOKCW-OAHLLOKOSA-N 1 0 340.427 3.455 20 5 EGBDRO C[N@@H+]1CCC[C@H]2CN(c3ccc([N+](=O)[O-])c4ncccc34)CC[C@H]21 ZINC000413204567 309021350 /nfs/dbraw/zinc/02/13/50/309021350.db2.gz PVOIVOBRUGEIKJ-DZGCQCFKSA-N 1 0 326.400 3.064 20 5 EGBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1c1nccc2ccc([N+](=O)[O-])cc21 ZINC000413280001 309024950 /nfs/dbraw/zinc/02/49/50/309024950.db2.gz JVRTZIYQARTHGW-BBRMVZONSA-N 1 0 326.400 3.206 20 5 EGBDRO CC1(C)CCC[N@@H+]1CCNc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413325160 309026893 /nfs/dbraw/zinc/02/68/93/309026893.db2.gz ULGSQPOASFRRFK-UHFFFAOYSA-N 1 0 332.326 3.295 20 5 EGBDRO COc1ccc(CN2C[C@@H](C)[NH2+]Cc3ccc(F)cc32)cc1[N+](=O)[O-] ZINC000414870915 309106569 /nfs/dbraw/zinc/10/65/69/309106569.db2.gz MXXXGCSZRYPVPL-GFCCVEGCSA-N 1 0 345.374 3.241 20 5 EGBDRO CC(C)(C)[C@H](C[NH3+])NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000415056967 309117065 /nfs/dbraw/zinc/11/70/65/309117065.db2.gz RMBVYEJIQGNVEZ-AWEZNQCLSA-N 1 0 334.445 3.181 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000415487667 309134846 /nfs/dbraw/zinc/13/48/46/309134846.db2.gz UHWDHUARGANRLP-HNNXBMFYSA-N 1 0 334.420 3.241 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCc3c[nH]nc3C1)CCCC2 ZINC000417308277 309201044 /nfs/dbraw/zinc/20/10/44/309201044.db2.gz HVWOYXDUGWUNAG-PBHICJAKSA-N 1 0 326.400 3.233 20 5 EGBDRO CC(C)(C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21)N1CCOCC1 ZINC000417321546 309201548 /nfs/dbraw/zinc/20/15/48/309201548.db2.gz LNRRAYINTAGKGK-SFHVURJKSA-N 1 0 347.459 3.063 20 5 EGBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000418395232 309244976 /nfs/dbraw/zinc/24/49/76/309244976.db2.gz AFOJSAOFOHWARR-RDJZCZTQSA-N 1 0 348.447 3.032 20 5 EGBDRO Cc1cc(N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420227155 309277633 /nfs/dbraw/zinc/27/76/33/309277633.db2.gz IMLAMGJGZFNCHN-LOWVWBTDSA-N 1 0 343.349 3.486 20 5 EGBDRO Cc1cc(N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420242395 309277897 /nfs/dbraw/zinc/27/78/97/309277897.db2.gz UWJXMFWVAUWVAA-PHIMTYICSA-N 1 0 329.322 3.253 20 5 EGBDRO CC1(C)CN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000420287432 309279566 /nfs/dbraw/zinc/27/95/66/309279566.db2.gz XMUONXCGOAKBEB-UHFFFAOYSA-N 1 0 339.395 3.014 20 5 EGBDRO C[C@@]1(Cc2ccc(F)cc2)CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000420931862 309302091 /nfs/dbraw/zinc/30/20/91/309302091.db2.gz UKHPZJYKNLOMLD-KRWDZBQOSA-N 1 0 332.379 3.028 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)C(C)(C)C[NH+]1CCCC1 ZINC000421558602 309329637 /nfs/dbraw/zinc/32/96/37/309329637.db2.gz OERZZROTEJBFAX-UHFFFAOYSA-N 1 0 333.432 3.158 20 5 EGBDRO CC[NH2+]Cc1cccc(NC(=O)Cc2cccc([N+](=O)[O-])c2C)c1 ZINC000422741970 309366353 /nfs/dbraw/zinc/36/63/53/309366353.db2.gz QNGPYKUFOXEECP-UHFFFAOYSA-N 1 0 327.384 3.194 20 5 EGBDRO CCc1ccc([C@@H](N[C@H]2CCC[NH2+]C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000423196440 309390131 /nfs/dbraw/zinc/39/01/31/309390131.db2.gz VJDVCWMQZDJFML-KSSFIOAISA-N 1 0 329.400 3.181 20 5 EGBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)Nc1ccc2c(c1)CCN2 ZINC000423204875 309390348 /nfs/dbraw/zinc/39/03/48/309390348.db2.gz ASBHJPGRLCOIEC-LBPRGKRZSA-N 1 0 340.383 3.392 20 5 EGBDRO CCc1ccc([C@@H](NC[C@H](C)C[NH2+]C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000423281079 309393744 /nfs/dbraw/zinc/39/37/44/309393744.db2.gz VKLQJOPWTZRGRT-ACJLOTCBSA-N 1 0 331.416 3.285 20 5 EGBDRO COCC[NH2+]CCN[C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000423317260 309395037 /nfs/dbraw/zinc/39/50/37/309395037.db2.gz KDYQVBCBTVJIRW-CYBMUJFWSA-N 1 0 349.456 3.210 20 5 EGBDRO CCc1ccc([C@H](NCC2([NH3+])CCC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000423336747 309396022 /nfs/dbraw/zinc/39/60/22/309396022.db2.gz VADJFFNVTBYHQP-QGZVFWFLSA-N 1 0 329.400 3.311 20 5 EGBDRO Cc1c([C@@H](C)[NH2+]C[C@@H]2NCCc3ccccc32)cccc1[N+](=O)[O-] ZINC000423414352 309399369 /nfs/dbraw/zinc/39/93/69/309399369.db2.gz CBVIDAPGSGFZOS-KDOFPFPSSA-N 1 0 325.412 3.441 20 5 EGBDRO Cc1noc(C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)n1 ZINC000428655144 309557669 /nfs/dbraw/zinc/55/76/69/309557669.db2.gz WOWCJLXHNZKXBQ-QGZVFWFLSA-N 1 0 338.367 3.360 20 5 EGBDRO CC(C)([NH2+]CC[S@](=O)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000429231908 309574380 /nfs/dbraw/zinc/57/43/80/309574380.db2.gz RQBNGXRUPRLQIU-QHCPKHFHSA-N 1 0 332.425 3.227 20 5 EGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1Cc2cccc(O)c2C1 ZINC000433040088 309676289 /nfs/dbraw/zinc/67/62/89/309676289.db2.gz PDHNCKGHOUQKBY-XJKSGUPXSA-N 1 0 326.396 3.379 20 5 EGBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1NC[C@@]1([NH+](C)C)CCSC1 ZINC000444826931 309931608 /nfs/dbraw/zinc/93/16/08/309931608.db2.gz JBDWPWJOIDKTQY-AWEZNQCLSA-N 1 0 329.853 3.406 20 5 EGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc2c(c1)OCCCO2 ZINC000449115398 310038188 /nfs/dbraw/zinc/03/81/88/310038188.db2.gz HLMDGAIGWKDUJP-AWEZNQCLSA-N 1 0 342.395 3.477 20 5 EGBDRO CC(C)c1noc(CCC[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])n1 ZINC000449123470 310038736 /nfs/dbraw/zinc/03/87/36/310038736.db2.gz MZVJLDLPEAURDC-ZDUSSCGKSA-N 1 0 332.404 3.255 20 5 EGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](CCO)c1ccccc1 ZINC000449155285 310040925 /nfs/dbraw/zinc/04/09/25/310040925.db2.gz AUUYTCFWFFGOOH-CRAIPNDOSA-N 1 0 328.412 3.282 20 5 EGBDRO CO[C@H](C)c1nc(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])cs1 ZINC000449177184 310042442 /nfs/dbraw/zinc/04/24/42/310042442.db2.gz OUZBUYUHTSQQSI-NWDGAFQWSA-N 1 0 335.429 3.480 20 5 EGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccc2c1OCCCO2 ZINC000449197345 310043949 /nfs/dbraw/zinc/04/39/49/310043949.db2.gz VGXVDEMSBZMYLD-CQSZACIVSA-N 1 0 342.395 3.477 20 5 EGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000449205417 310044566 /nfs/dbraw/zinc/04/45/66/310044566.db2.gz KHSFSLYCQASDAZ-MOIQIXESSA-N 1 0 330.428 3.463 20 5 EGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@](C)(CO)c1ccccc1 ZINC000449320716 310053233 /nfs/dbraw/zinc/05/32/33/310053233.db2.gz OYKOMTBZFGOCPP-BEFAXECRSA-N 1 0 328.412 3.066 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]([C@H](CO)C1CC1)C1CC1 ZINC000449513217 310068279 /nfs/dbraw/zinc/06/82/79/310068279.db2.gz VLUKQLKQHBAMFP-OBIQQPLYSA-N 1 0 330.428 3.385 20 5 EGBDRO COc1cc(C[NH2+]CCc2cc(C)ccc2F)c([N+](=O)[O-])cc1OC ZINC000449553789 310071199 /nfs/dbraw/zinc/07/11/99/310071199.db2.gz NMXDURROBNYUER-UHFFFAOYSA-N 1 0 348.374 3.392 20 5 EGBDRO CC(C)(C)O[C@@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)[C@H]1n1cccn1 ZINC000449654932 310077871 /nfs/dbraw/zinc/07/78/71/310077871.db2.gz FYCYEOZQOZWCMM-BRWVUGGUSA-N 1 0 344.415 3.078 20 5 EGBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2C[C@@H](O)C2)ccc1Oc1ccc(F)cc1 ZINC000449749443 310084227 /nfs/dbraw/zinc/08/42/27/310084227.db2.gz PMIQZTHVXTZDPW-OKILXGFUSA-N 1 0 332.331 3.139 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2csc(N3CC[C@@H]([NH+]4CC=CC4)C3)n2)cc1 ZINC000450355370 310117535 /nfs/dbraw/zinc/11/75/35/310117535.db2.gz QOSMQWAUEYFGCQ-OAHLLOKOSA-N 1 0 342.424 3.169 20 5 EGBDRO CCc1ccc(CNC(=O)C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000451103154 310160717 /nfs/dbraw/zinc/16/07/17/310160717.db2.gz GLSQLPWNWIDENP-LBPRGKRZSA-N 1 0 347.440 3.186 20 5 EGBDRO CCOc1cc(C[NH2+][C@@H]2C[C@H](OCC)C23CCC3)ccc1[N+](=O)[O-] ZINC000451483373 310180696 /nfs/dbraw/zinc/18/06/96/310180696.db2.gz VNGUVXLRTUTUJD-SJORKVTESA-N 1 0 334.416 3.431 20 5 EGBDRO CCCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451542779 310184378 /nfs/dbraw/zinc/18/43/78/310184378.db2.gz AFJCVPGEWYWVPL-GDBMZVCRSA-N 1 0 333.432 3.079 20 5 EGBDRO COc1cc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)ccn1 ZINC000451544068 310184577 /nfs/dbraw/zinc/18/45/77/310184577.db2.gz DIQYHDXIOVEWSU-MRXNPFEDSA-N 1 0 327.384 3.378 20 5 EGBDRO COc1ccnc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000451552651 310185771 /nfs/dbraw/zinc/18/57/71/310185771.db2.gz WXFJLRCKUXCPHY-OAHLLOKOSA-N 1 0 327.384 3.378 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1[C@@H](C)CCC1(C)C ZINC000452014845 310207548 /nfs/dbraw/zinc/20/75/48/310207548.db2.gz UOJBUNRSQDNJCZ-LBPRGKRZSA-N 1 0 335.404 3.195 20 5 EGBDRO Cc1ccc(C[N@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])cc1C ZINC000452040108 310208955 /nfs/dbraw/zinc/20/89/55/310208955.db2.gz FQMJNDABMULHPM-KRWDZBQOSA-N 1 0 344.411 3.083 20 5 EGBDRO CC(C)[N@@H+]1CC[C@H](N(C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000452116525 310213211 /nfs/dbraw/zinc/21/32/11/310213211.db2.gz NFZBADUQYBDWPY-KRWDZBQOSA-N 1 0 344.415 3.164 20 5 EGBDRO COc1ccc2c(c1)C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)CO2 ZINC000453208932 310264296 /nfs/dbraw/zinc/26/42/96/310264296.db2.gz KNVMEKKXAQZUEA-HNNXBMFYSA-N 1 0 328.368 3.005 20 5 EGBDRO Cc1cc(C)c(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cn1 ZINC000453345692 310272222 /nfs/dbraw/zinc/27/22/22/310272222.db2.gz FMRFCIYTLBMNPJ-CVEARBPZSA-N 1 0 329.404 3.077 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@@H](c3nccn3C)C2)cc1[N+](=O)[O-] ZINC000453393836 310274635 /nfs/dbraw/zinc/27/46/35/310274635.db2.gz ILTFZGLEMINCRC-YSVLISHTSA-N 1 0 344.415 3.208 20 5 EGBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCC2CC(F)(F)C2)n1 ZINC000453427249 310276537 /nfs/dbraw/zinc/27/65/37/310276537.db2.gz PDLZLMSQVQTHPZ-STQMWFEESA-N 1 0 328.363 3.300 20 5 EGBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCC2CC(F)(F)C2)n1 ZINC000453427247 310276601 /nfs/dbraw/zinc/27/66/01/310276601.db2.gz PDLZLMSQVQTHPZ-OLZOCXBDSA-N 1 0 328.363 3.300 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCCCC[N@@H+](C)C1CC1 ZINC000455246761 310352071 /nfs/dbraw/zinc/35/20/71/310352071.db2.gz NHQUAONYAFVDQV-UHFFFAOYSA-N 1 0 334.420 3.208 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H](CO)Cc1ccccc1 ZINC000468591646 310690889 /nfs/dbraw/zinc/69/08/89/310690889.db2.gz PYLBCSJGVWVTLF-SPQRHKFCSA-N 1 0 326.396 3.191 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(NC(=O)C(C)C)CC1 ZINC000470173804 310719131 /nfs/dbraw/zinc/71/91/31/310719131.db2.gz FYEUZJRWJHCZGI-RVDMUPIBSA-N 1 0 345.443 3.235 20 5 EGBDRO C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000481097828 310905952 /nfs/dbraw/zinc/90/59/52/310905952.db2.gz BITXBZPVOMUNPS-CZUORRHYSA-N 1 0 333.432 3.362 20 5 EGBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CCN(c2ccc(O)cc2)CC1 ZINC000487980680 311046077 /nfs/dbraw/zinc/04/60/77/311046077.db2.gz LRVSNJSJZHOHCZ-CQSZACIVSA-N 1 0 327.384 3.184 20 5 EGBDRO COc1cc(C[N@@H+]2C[C@@H](C)C[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000490545675 311144564 /nfs/dbraw/zinc/14/45/64/311144564.db2.gz OCNYTGCEYPHTEA-WDEREUQCSA-N 1 0 344.358 3.478 20 5 EGBDRO CCOc1cc(C[NH2+][C@H](CO)c2ccc(CC)cc2)ccc1[N+](=O)[O-] ZINC000491612315 311186626 /nfs/dbraw/zinc/18/66/26/311186626.db2.gz IALKVRWMBBMGML-QGZVFWFLSA-N 1 0 344.411 3.379 20 5 EGBDRO C[NH+](C)C/C=C/C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000491887817 311195605 /nfs/dbraw/zinc/19/56/05/311195605.db2.gz UACUNXIHCAHIQG-QPJJXVBHSA-N 1 0 341.367 3.443 20 5 EGBDRO C[NH+](C)CCCC1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000492292110 311234683 /nfs/dbraw/zinc/23/46/83/311234683.db2.gz BZPLTWILEUKOHH-YFHOEESVSA-N 1 0 345.443 3.188 20 5 EGBDRO CC[N@@H+]1CC[C@H](N(C)Cc2c(Cl)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000492332422 311238832 /nfs/dbraw/zinc/23/88/32/311238832.db2.gz HFONLAHLKLWDRZ-WFASDCNBSA-N 1 0 325.840 3.410 20 5 EGBDRO O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])NCCCCC[NH+]1CCCC1 ZINC000493031516 311319437 /nfs/dbraw/zinc/31/94/37/311319437.db2.gz ZKDHVMLNEVPIRN-CLFYSBASSA-N 1 0 349.406 3.129 20 5 EGBDRO CCOc1ccc([C@@H](C)[NH2+]CCN2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000504893848 312011910 /nfs/dbraw/zinc/01/19/10/312011910.db2.gz INNFGFRQBRPACD-HUUCEWRRSA-N 1 0 335.448 3.376 20 5 EGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](C)C[C@@H](C)O ZINC000504894010 312012018 /nfs/dbraw/zinc/01/20/18/312012018.db2.gz JEXCMFRZLMMATM-BFHYXJOUSA-N 1 0 326.462 3.462 20 5 EGBDRO COCC[N@H+](C)CC[C@H](Nc1ncccc1[N+](=O)[O-])c1ccccc1 ZINC000505583026 312027304 /nfs/dbraw/zinc/02/73/04/312027304.db2.gz XZFMJZQHMTVEFZ-INIZCTEOSA-N 1 0 344.415 3.111 20 5 EGBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@@H](COc3ccccc3)C2)cc1 ZINC000505845363 312036347 /nfs/dbraw/zinc/03/63/47/312036347.db2.gz LTAJGONPIFUBMX-MRXNPFEDSA-N 1 0 342.395 3.375 20 5 EGBDRO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])Cc1ccc2c(c1)OCO2 ZINC000506052449 312040830 /nfs/dbraw/zinc/04/08/30/312040830.db2.gz ZVDLXRFWLXQCKX-GQCTYLIASA-N 1 0 326.352 3.469 20 5 EGBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)C[C@@H]1OCCc2ccccc21 ZINC000507255570 312065953 /nfs/dbraw/zinc/06/59/53/312065953.db2.gz IIDYZVZGPJBPAK-IBGZPJMESA-N 1 0 342.395 3.219 20 5 EGBDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000507452564 312072460 /nfs/dbraw/zinc/07/24/60/312072460.db2.gz WJNUBIIXXNMHRP-OKILXGFUSA-N 1 0 333.432 3.081 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1CNCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000509619457 312121344 /nfs/dbraw/zinc/12/13/44/312121344.db2.gz PCOSSSQCEHUAGN-HZPDHXFCSA-N 1 0 349.475 3.451 20 5 EGBDRO COC(=O)c1ccc(F)c(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000511124648 312155491 /nfs/dbraw/zinc/15/54/91/312155491.db2.gz LMFUJKKYUNZXBD-UHFFFAOYSA-N 1 0 346.358 3.195 20 5 EGBDRO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000511522460 312162225 /nfs/dbraw/zinc/16/22/25/312162225.db2.gz LTOAMUVJYZKXTC-NVXWUHKLSA-N 1 0 347.459 3.420 20 5 EGBDRO CCc1ccc([C@H]([NH2+]C[C@H](CO)C2CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000514975810 312257819 /nfs/dbraw/zinc/25/78/19/312257819.db2.gz IAJXOEVPLUQCTP-DNVCBOLYSA-N 1 0 344.411 3.448 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H](O)Cc1cccc(F)c1 ZINC000515599115 312290940 /nfs/dbraw/zinc/29/09/40/312290940.db2.gz HLAORYHNNXDKHD-SUMWQHHRSA-N 1 0 332.375 3.297 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[NH+](CCC(C)(C)C)CC1 ZINC000515743573 312296194 /nfs/dbraw/zinc/29/61/94/312296194.db2.gz GYASETIRARGTMP-UHFFFAOYSA-N 1 0 335.448 3.157 20 5 EGBDRO C[NH+](C)C1(CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000524144320 312646723 /nfs/dbraw/zinc/64/67/23/312646723.db2.gz WRLPUXBKJOGIIK-UHFFFAOYSA-N 1 0 347.459 3.253 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[N@H+](Cc2ccccc2)[C@@H](CO)C2CC2)cc1 ZINC000535091654 314026584 /nfs/dbraw/zinc/02/65/84/314026584.db2.gz IZNIQJLHMPOMAN-FQEVSTJZSA-N 1 0 340.423 3.410 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000537641122 314199279 /nfs/dbraw/zinc/19/92/79/314199279.db2.gz OBGAVVSEBNZVKN-IUODEOHRSA-N 1 0 347.459 3.370 20 5 EGBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)[C@H]1CCCN(CC(C)(C)C)C1=O ZINC000548935494 315063994 /nfs/dbraw/zinc/06/39/94/315063994.db2.gz NAVNIQXWZKUEHB-KRWDZBQOSA-N 1 0 347.459 3.106 20 5 EGBDRO CC[C@H]1CCCCN1C(=O)[C@H](C)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000549157782 315079146 /nfs/dbraw/zinc/07/91/46/315079146.db2.gz NPSGPWSLSQKJKA-RDJZCZTQSA-N 1 0 347.459 3.249 20 5 EGBDRO CC[N@H+](CCNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)C(C)C ZINC000555247390 315375730 /nfs/dbraw/zinc/37/57/30/315375730.db2.gz DRHHCZHLGCIYEZ-UHFFFAOYSA-N 1 0 335.448 3.352 20 5 EGBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000555312034 315378309 /nfs/dbraw/zinc/37/83/09/315378309.db2.gz ASXDPANLGHRNJM-HOCLYGCPSA-N 1 0 333.432 3.079 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCOC2(CCOCC2)C1 ZINC000560916467 315730825 /nfs/dbraw/zinc/73/08/25/315730825.db2.gz BATHBFRXXZPJOP-LSDHHAIUSA-N 1 0 334.416 3.282 20 5 EGBDRO Cc1nc(NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)ncc1[N+](=O)[O-] ZINC000562692320 315879028 /nfs/dbraw/zinc/87/90/28/315879028.db2.gz YJDQQIVPKHBFPW-AWEZNQCLSA-N 1 0 335.795 3.061 20 5 EGBDRO C[NH+]1CCC(CN[C@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)CC1 ZINC000565838410 316377020 /nfs/dbraw/zinc/37/70/20/316377020.db2.gz MXUJUGLGZPRJQE-CQSZACIVSA-N 1 0 331.338 3.130 20 5 EGBDRO CCCC[C@H](C)[C@@H](C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000569848289 316972970 /nfs/dbraw/zinc/97/29/70/316972970.db2.gz QLFOCGNKLVEXLE-UONOGXRCSA-N 1 0 342.461 3.173 20 5 EGBDRO C[NH+](C)C1(CN[C@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)CCC1 ZINC000571336888 317184947 /nfs/dbraw/zinc/18/49/47/317184947.db2.gz PWIHSTBMXRGJTE-CYBMUJFWSA-N 1 0 331.338 3.272 20 5 EGBDRO Cc1c(C[NH2+]C[C@H](O)Cc2cccc(Cl)c2)cccc1[N+](=O)[O-] ZINC000571910320 317264850 /nfs/dbraw/zinc/26/48/50/317264850.db2.gz PZQKJJJESYSCNH-MRXNPFEDSA-N 1 0 334.803 3.250 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000571955451 317270970 /nfs/dbraw/zinc/27/09/70/317270970.db2.gz MHANURQILPDKSW-JKSUJKDBSA-N 1 0 335.448 3.055 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](NC2CC[NH+](C3CC3)CC2)C(F)(F)F)cc1 ZINC000572413404 317335779 /nfs/dbraw/zinc/33/57/79/317335779.db2.gz CNWIXDZGLMWBPN-HNNXBMFYSA-N 1 0 343.349 3.415 20 5 EGBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000572796299 317392297 /nfs/dbraw/zinc/39/22/97/317392297.db2.gz CWTVTFXTLRLFBA-YLFCFFPRSA-N 1 0 348.443 3.283 20 5 EGBDRO CCOC1CC(CC[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000573789771 317528472 /nfs/dbraw/zinc/52/84/72/317528472.db2.gz NKVYMIMMCROQHK-CKUJCDMFSA-N 1 0 336.436 3.070 20 5 EGBDRO C[C@@H](CCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000183112680 323596524 /nfs/dbraw/zinc/59/65/24/323596524.db2.gz RJGUQGSGNVTICK-LBPRGKRZSA-N 1 0 339.823 3.243 20 5 EGBDRO CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000382445632 324249838 /nfs/dbraw/zinc/24/98/38/324249838.db2.gz JEWYRMHNYHVWML-UKRRQHHQSA-N 1 0 349.431 3.378 20 5 EGBDRO C[C@@H](C(=O)Nc1ccccc1C[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000576535393 324634350 /nfs/dbraw/zinc/63/43/50/324634350.db2.gz YPJPYEMVDGDNRA-CYBMUJFWSA-N 1 0 327.384 3.399 20 5 EGBDRO Cc1cc(N2CC[C@@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000579573301 325128727 /nfs/dbraw/zinc/12/87/27/325128727.db2.gz DYWWNQIOAYJKIJ-CQSZACIVSA-N 1 0 329.322 3.112 20 5 EGBDRO CCc1ccc(C(=O)Nc2cccc(C[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000173300244 455261808 /nfs/dbraw/zinc/26/18/08/455261808.db2.gz KZGBSBHAYVANSK-UHFFFAOYSA-N 1 0 327.384 3.471 20 5 EGBDRO C[C@@H]([NH2+]Cc1ccnc(N2CCCC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000173311983 455263696 /nfs/dbraw/zinc/26/36/96/455263696.db2.gz QWFXDVODAGZQLH-CQSZACIVSA-N 1 0 326.400 3.441 20 5 EGBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(N(C)C)cc[nH+]1 ZINC000612346466 460601341 /nfs/dbraw/zinc/60/13/41/460601341.db2.gz UFPAEVHRTWNPTA-NSHDSACASA-N 1 0 346.412 3.175 20 5 EGBDRO CC(=O)c1ccc(NC[C@H](Cc2ccccc2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000015128879 453558388 /nfs/dbraw/zinc/55/83/88/453558388.db2.gz NDDCVJGNHJKMKQ-KRWDZBQOSA-N 1 0 341.411 3.382 20 5 EGBDRO CC(C)c1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1 ZINC000026486096 453801245 /nfs/dbraw/zinc/80/12/45/453801245.db2.gz RFNPKVBRTWCQQC-UHFFFAOYSA-N 1 0 340.427 3.435 20 5 EGBDRO C[NH+](C)[C@H](CNc1nc2sccn2c1[N+](=O)[O-])c1cccc(F)c1 ZINC000029847972 453832075 /nfs/dbraw/zinc/83/20/75/453832075.db2.gz JBUDCSIENOILQT-GFCCVEGCSA-N 1 0 349.391 3.158 20 5 EGBDRO CCc1ccc([C@H](CNC(=O)c2cccc([N+](=O)[O-])c2)[NH+](C)C)cc1 ZINC000032735601 453887323 /nfs/dbraw/zinc/88/73/23/453887323.db2.gz LKMDLRODMUFVTA-SFHVURJKSA-N 1 0 341.411 3.190 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000067165025 453908555 /nfs/dbraw/zinc/90/85/55/453908555.db2.gz SDQIMCXJAIOVRQ-OAHLLOKOSA-N 1 0 333.432 3.288 20 5 EGBDRO CC[NH+](CC)[C@H](CNC(=O)c1cccc(C)c1[N+](=O)[O-])c1ccco1 ZINC000067275594 453916963 /nfs/dbraw/zinc/91/69/63/453916963.db2.gz ZUXJRRJHOQHDEU-OAHLLOKOSA-N 1 0 345.399 3.309 20 5 EGBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@@H](CCO)c1ccccc1 ZINC000075897897 453937387 /nfs/dbraw/zinc/93/73/87/453937387.db2.gz RNPKDWWSLGXKLR-SFHVURJKSA-N 1 0 330.384 3.029 20 5 EGBDRO CC(C)[NH+]1CCC(N(C)Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000083169906 453940709 /nfs/dbraw/zinc/94/07/09/453940709.db2.gz MPFRTWCDZILYJK-UHFFFAOYSA-N 1 0 332.404 3.041 20 5 EGBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000075958006 453942295 /nfs/dbraw/zinc/94/22/95/453942295.db2.gz RSFKERVZRTZWKB-MRXNPFEDSA-N 1 0 332.404 3.077 20 5 EGBDRO Cc1cccc(C(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)c1[N+](=O)[O-] ZINC000039563841 453945205 /nfs/dbraw/zinc/94/52/05/453945205.db2.gz CXEWSBDKLAGWIQ-UHFFFAOYSA-N 1 0 333.432 3.096 20 5 EGBDRO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000041701524 453976296 /nfs/dbraw/zinc/97/62/96/453976296.db2.gz SWDWTRGQYFBZCC-AWEZNQCLSA-N 1 0 335.404 3.084 20 5 EGBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000068134352 454000971 /nfs/dbraw/zinc/00/09/71/454000971.db2.gz LSJALWSNEGWRQK-DVQDXYAYSA-N 1 0 343.427 3.085 20 5 EGBDRO COc1cc(OC)cc(OCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)c1 ZINC000084959684 454018028 /nfs/dbraw/zinc/01/80/28/454018028.db2.gz DNCFHSZNBQGPHH-UHFFFAOYSA-N 1 0 346.383 3.171 20 5 EGBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000085620552 454035377 /nfs/dbraw/zinc/03/53/77/454035377.db2.gz AYNRKNYMMFVAAQ-HNNXBMFYSA-N 1 0 348.447 3.407 20 5 EGBDRO CN(CC[N@H+](C)C1CCCCC1)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000087207193 454070059 /nfs/dbraw/zinc/07/00/59/454070059.db2.gz YFRNWJKMTPTOEZ-UHFFFAOYSA-N 1 0 347.459 3.250 20 5 EGBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000087275685 454074460 /nfs/dbraw/zinc/07/44/60/454074460.db2.gz RAPUVDGENGXTMA-GOSISDBHSA-N 1 0 345.443 3.004 20 5 EGBDRO C[NH+](C)CC[C@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000087300936 454075914 /nfs/dbraw/zinc/07/59/14/454075914.db2.gz WINOJNNCQLPABY-INIZCTEOSA-N 1 0 335.448 3.010 20 5 EGBDRO CC[NH+](CC)[C@@H](CNC(=O)c1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000044314673 454096603 /nfs/dbraw/zinc/09/66/03/454096603.db2.gz YGYLOVKKEIASGM-HNNXBMFYSA-N 1 0 347.440 3.469 20 5 EGBDRO CC(C)[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1cccc(Cl)c1 ZINC000159749832 455400430 /nfs/dbraw/zinc/40/04/30/455400430.db2.gz DAESFJRTRRNQPH-UHFFFAOYSA-N 1 0 349.818 3.321 20 5 EGBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+](Cc1ccc(Cl)cc1)C1CC1 ZINC000159759992 455401568 /nfs/dbraw/zinc/40/15/68/455401568.db2.gz HNIMYGATMXLCBC-UHFFFAOYSA-N 1 0 347.802 3.075 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)CC1CCCCC1 ZINC000044715155 454116216 /nfs/dbraw/zinc/11/62/16/454116216.db2.gz WOUICYLTIGVQOB-UHFFFAOYSA-N 1 0 349.431 3.444 20 5 EGBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+](Cc2cccs2)C2CC2)c1 ZINC000045008552 454132875 /nfs/dbraw/zinc/13/28/75/454132875.db2.gz JJLFZGRBCAAFLP-OAHLLOKOSA-N 1 0 348.424 3.061 20 5 EGBDRO CCc1ccc([C@H](CNC(=O)c2ccccc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000069691773 454133070 /nfs/dbraw/zinc/13/30/70/454133070.db2.gz ASHAMACHVBEVTP-SFHVURJKSA-N 1 0 341.411 3.190 20 5 EGBDRO C[C@H](CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)[N@@H+]1CCCC[C@H]1C ZINC000058231469 454173264 /nfs/dbraw/zinc/17/32/64/454173264.db2.gz QUSGQHXIIDOIQX-CHWSQXEVSA-N 1 0 344.415 3.069 20 5 EGBDRO CCc1nn(C)c(NC[C@H](c2cccs2)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000094131903 454188453 /nfs/dbraw/zinc/18/84/53/454188453.db2.gz VCHZDHKGFQBXKD-CYBMUJFWSA-N 1 0 349.460 3.201 20 5 EGBDRO Cc1ccc(CN(CC[NH+](C)C)C(=O)c2cccc([N+](=O)[O-])c2C)o1 ZINC000072013536 454266072 /nfs/dbraw/zinc/26/60/72/454266072.db2.gz ZPTYHQIYYKVYKQ-UHFFFAOYSA-N 1 0 345.399 3.009 20 5 EGBDRO C[C@@H](C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)Cn1ccnc1 ZINC000072082437 454271174 /nfs/dbraw/zinc/27/11/74/454271174.db2.gz JEBJAVCIBAZHFS-AWEZNQCLSA-N 1 0 340.383 3.477 20 5 EGBDRO C[C@H](C1CC1)[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CC1 ZINC000078535652 454272036 /nfs/dbraw/zinc/27/20/36/454272036.db2.gz IQXLYBFGOHSZPV-LLVKDONJSA-N 1 0 328.372 3.408 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000120325292 454287498 /nfs/dbraw/zinc/28/74/98/454287498.db2.gz GZQOGPKJCFWKES-CQSZACIVSA-N 1 0 334.420 3.017 20 5 EGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc([S@@](C)=O)cc1 ZINC000090220810 454294151 /nfs/dbraw/zinc/29/41/51/454294151.db2.gz HGULBIWRRRBXEK-BSEYFRJRSA-N 1 0 346.452 3.443 20 5 EGBDRO Cc1ccc(C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000046988513 454311066 /nfs/dbraw/zinc/31/10/66/454311066.db2.gz BQNUZMHGJPOBLK-HNNXBMFYSA-N 1 0 333.432 3.288 20 5 EGBDRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000047039519 454323393 /nfs/dbraw/zinc/32/33/93/454323393.db2.gz XXMWAYBONLOJTP-GJZGRUSLSA-N 1 0 333.432 3.083 20 5 EGBDRO Cc1c(NC(=O)CC[NH+]2C[C@H](C)S[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000072769756 454337985 /nfs/dbraw/zinc/33/79/85/454337985.db2.gz ZWDFJISDBFEXGW-RYUDHWBXSA-N 1 0 337.445 3.058 20 5 EGBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)CCc1cccs1 ZINC000072800683 454341404 /nfs/dbraw/zinc/34/14/04/454341404.db2.gz KYYBQFXQHNLPSU-LBPRGKRZSA-N 1 0 333.413 3.158 20 5 EGBDRO CC[C@]1(C)CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000072803059 454343255 /nfs/dbraw/zinc/34/32/55/454343255.db2.gz PPTKKEJFRCUEHR-GOSISDBHSA-N 1 0 349.431 3.444 20 5 EGBDRO CO[C@H](C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C(C)C ZINC000072924821 454362964 /nfs/dbraw/zinc/36/29/64/454362964.db2.gz LZLGSVGEDPHQDL-OAHLLOKOSA-N 1 0 335.429 3.479 20 5 EGBDRO COCC[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CCCC1 ZINC000073092661 454393652 /nfs/dbraw/zinc/39/36/52/454393652.db2.gz ZLNXJPSCRRWCBW-UHFFFAOYSA-N 1 0 346.387 3.036 20 5 EGBDRO Cc1occc1C[N@H+](C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000063559693 454423953 /nfs/dbraw/zinc/42/39/53/454423953.db2.gz LBBBJGSDFKUPAV-UHFFFAOYSA-N 1 0 331.372 3.265 20 5 EGBDRO COc1ccc(NC(=O)C[N@H+](C2CC2)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000048008789 454432266 /nfs/dbraw/zinc/43/22/66/454432266.db2.gz JLQBDRDHVHAGSM-UHFFFAOYSA-N 1 0 347.415 3.339 20 5 EGBDRO CC(C)n1c(Sc2ccc([N+](=O)[O-])cc2)nnc1C1CC[NH2+]CC1 ZINC000091484006 454441123 /nfs/dbraw/zinc/44/11/23/454441123.db2.gz AVAVAYARSGMMQS-UHFFFAOYSA-N 1 0 347.444 3.385 20 5 EGBDRO CC(C)n1c(Sc2ccc([N+](=O)[O-])cc2)nnc1[C@H]1CCC[NH2+]C1 ZINC000091484003 454441184 /nfs/dbraw/zinc/44/11/84/454441184.db2.gz ZIZNWRJVBDJFQG-LBPRGKRZSA-N 1 0 347.444 3.385 20 5 EGBDRO CC(C)(C)[N@@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000063725079 454441229 /nfs/dbraw/zinc/44/12/29/454441229.db2.gz DFVOVCJWDBDWDN-UHFFFAOYSA-N 1 0 339.823 3.195 20 5 EGBDRO CC(C)[N@H+](CCC(=O)NC1CCCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350613 454475202 /nfs/dbraw/zinc/47/52/02/454475202.db2.gz SIZPMCLYLJHDRY-UHFFFAOYSA-N 1 0 333.432 3.254 20 5 EGBDRO COC(=O)[C@@H](C)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000079922054 454499208 /nfs/dbraw/zinc/49/92/08/454499208.db2.gz CLCLGXZSPWTEDK-GUYCJALGSA-N 1 0 328.368 3.235 20 5 EGBDRO Cc1ccc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1[N+](=O)[O-] ZINC000092066434 454511810 /nfs/dbraw/zinc/51/18/10/454511810.db2.gz QSHAKTOSSYRQOZ-SJLPKXTDSA-N 1 0 329.444 3.352 20 5 EGBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000102846126 454523562 /nfs/dbraw/zinc/52/35/62/454523562.db2.gz NREUBUFQIDTABM-INIZCTEOSA-N 1 0 327.384 3.160 20 5 EGBDRO CC[C@@H](O)C[N@H+](Cc1ccccc1)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000134491709 454550940 /nfs/dbraw/zinc/55/09/40/454550940.db2.gz KCMUJSBQWAXOGF-QGZVFWFLSA-N 1 0 344.411 3.377 20 5 EGBDRO C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])cn2)CC[N@@H+]1Cc1ccccc1 ZINC000080230844 454552778 /nfs/dbraw/zinc/55/27/78/454552778.db2.gz WNAAKHMDPUUQCH-GDBMZVCRSA-N 1 0 326.400 3.455 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)C(C1CC1)C1CC1 ZINC000050989608 454603287 /nfs/dbraw/zinc/60/32/87/454603287.db2.gz QSTLMVMCIZEBKD-UHFFFAOYSA-N 1 0 331.416 3.352 20 5 EGBDRO CC(C)c1ccc(C[N@@H+]2CCC[C@H](CCC(N)=O)C2)cc1[N+](=O)[O-] ZINC000092660352 454603530 /nfs/dbraw/zinc/60/35/30/454603530.db2.gz WSLMBWASCGOZGQ-CQSZACIVSA-N 1 0 333.432 3.196 20 5 EGBDRO C[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])s2)C[N@@H+]1Cc1ccccc1 ZINC000134938027 454613380 /nfs/dbraw/zinc/61/33/80/454613380.db2.gz AJGZQHCWBQBRIR-GXTWGEPZSA-N 1 0 345.424 3.049 20 5 EGBDRO CCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000092734128 454618837 /nfs/dbraw/zinc/61/88/37/454618837.db2.gz CXKAPYIPOUIWSR-MRXNPFEDSA-N 1 0 347.459 3.456 20 5 EGBDRO CCCCCNC(=O)C1CC[NH+](Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000051802950 454638339 /nfs/dbraw/zinc/63/83/39/454638339.db2.gz ZGNJJCRLPHPQGA-UHFFFAOYSA-N 1 0 347.459 3.422 20 5 EGBDRO Cc1ncsc1C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000105494168 454640477 /nfs/dbraw/zinc/64/04/77/454640477.db2.gz RBFOUJCFOQWDCR-UHFFFAOYSA-N 1 0 343.412 3.050 20 5 EGBDRO CCc1nn(C)c(NCc2ccccc2C[NH+](CC)CC)c1[N+](=O)[O-] ZINC000092827460 454643234 /nfs/dbraw/zinc/64/32/34/454643234.db2.gz MNXPRWJZWHMZIY-UHFFFAOYSA-N 1 0 345.447 3.345 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCc1nc(-c2ccccn2)cs1 ZINC000123951063 454689784 /nfs/dbraw/zinc/68/97/84/454689784.db2.gz KEWSLICWVVUORM-UHFFFAOYSA-N 1 0 340.408 3.446 20 5 EGBDRO Cc1ccc(C[NH2+]C(C)(C)C(=O)NCC2CCCC2)cc1[N+](=O)[O-] ZINC000136030536 454715618 /nfs/dbraw/zinc/71/56/18/454715618.db2.gz NKKJPAIWBPRDHS-UHFFFAOYSA-N 1 0 333.432 3.078 20 5 EGBDRO C[C@@H]([NH2+]C[C@H]1CCN(CC(F)(F)F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000124312245 454716963 /nfs/dbraw/zinc/71/69/63/454716963.db2.gz WDEVKFZMGFCKBL-VXGBXAGGSA-N 1 0 331.338 3.130 20 5 EGBDRO CC(C)(C)c1ccc(C(=O)NCC[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000152824306 454730181 /nfs/dbraw/zinc/73/01/81/454730181.db2.gz UIGJTYOAFBEANG-CYBMUJFWSA-N 1 0 333.432 3.012 20 5 EGBDRO COC(=O)c1ccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000152905863 454739581 /nfs/dbraw/zinc/73/95/81/454739581.db2.gz JIWOEWLEKTVETH-LBPRGKRZSA-N 1 0 344.367 3.241 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCCC[NH+]1CCC(C)CC1 ZINC000162551770 454783554 /nfs/dbraw/zinc/78/35/54/454783554.db2.gz SSPCMIRPSXRCLC-UHFFFAOYSA-N 1 0 334.420 3.147 20 5 EGBDRO Cc1cc([N+](=O)[O-])cnc1NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000108349723 454794097 /nfs/dbraw/zinc/79/40/97/454794097.db2.gz DYBIQFZIDCQPOU-UHFFFAOYSA-N 1 0 344.415 3.241 20 5 EGBDRO COc1ccc(C)cc1NC(=O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000176920900 454799153 /nfs/dbraw/zinc/79/91/53/454799153.db2.gz OYYCDBGBWYGTML-ZDUSSCGKSA-N 1 0 343.383 3.201 20 5 EGBDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000177360675 454855913 /nfs/dbraw/zinc/85/59/13/454855913.db2.gz ORLHEDYQDJRMRM-UHFFFAOYSA-N 1 0 331.347 3.356 20 5 EGBDRO C[C@H]([NH2+][C@H]1CCN(C(=O)C2CCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000125958283 454859850 /nfs/dbraw/zinc/85/98/50/454859850.db2.gz ZGYGOLSIALWHPH-BBRMVZONSA-N 1 0 331.416 3.037 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)[C@@H]1CCc2ccccc21 ZINC000164441197 454882422 /nfs/dbraw/zinc/88/24/22/454882422.db2.gz FYNCDHXYAGHNOI-MRXNPFEDSA-N 1 0 339.395 3.461 20 5 EGBDRO COCC[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)C1CCCC1 ZINC000164700277 454888518 /nfs/dbraw/zinc/88/85/18/454888518.db2.gz CBIDDAWNIDYRRJ-UHFFFAOYSA-N 1 0 349.431 3.123 20 5 EGBDRO C[C@H]1C[C@H](N(C)c2ccc([N+](=O)[O-])cn2)CC[N@@H+]1Cc1ccccc1 ZINC000150876377 454906640 /nfs/dbraw/zinc/90/66/40/454906640.db2.gz AGSZKKNLBYYFOJ-DOTOQJQBSA-N 1 0 340.427 3.479 20 5 EGBDRO CC[C@@H]([NH2+]CCC(=O)Nc1ccc(C)cn1)c1cccc([N+](=O)[O-])c1 ZINC000167217930 454919603 /nfs/dbraw/zinc/91/96/03/454919603.db2.gz AZUXWAYPZUCKPG-MRXNPFEDSA-N 1 0 342.399 3.368 20 5 EGBDRO CC[N@@H+]1CCC[C@H]1CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000113313839 454921741 /nfs/dbraw/zinc/92/17/41/454921741.db2.gz UNZGPVBVDRMYQS-INIZCTEOSA-N 1 0 346.456 3.292 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCN(C(=O)C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000126888011 454924707 /nfs/dbraw/zinc/92/47/07/454924707.db2.gz XSFIARNNLPDCST-PBHICJAKSA-N 1 0 345.443 3.345 20 5 EGBDRO O=C(CCc1cccc([N+](=O)[O-])c1)NC1CC[NH+](C2CCCC2)CC1 ZINC000127002968 454932144 /nfs/dbraw/zinc/93/21/44/454932144.db2.gz WNKKRQYIIDCTRR-UHFFFAOYSA-N 1 0 345.443 3.051 20 5 EGBDRO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000127145098 454941606 /nfs/dbraw/zinc/94/16/06/454941606.db2.gz APHFPTKHNMNNGB-HNNXBMFYSA-N 1 0 346.387 3.392 20 5 EGBDRO CCc1ccc(OC[C@H](O)C[N@H+](C)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000155305528 454985562 /nfs/dbraw/zinc/98/55/62/454985562.db2.gz RCHMPEBYFSRYBS-QGZVFWFLSA-N 1 0 344.411 3.029 20 5 EGBDRO CC(C)OCC[NH+]1CCC(N[C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000267103403 455502124 /nfs/dbraw/zinc/50/21/24/455502124.db2.gz ZXXZMYVSIDVEFF-HNNXBMFYSA-N 1 0 335.448 3.135 20 5 EGBDRO C[N@H+](CCC(=O)NCC1CCCCC1)Cc1ccccc1[N+](=O)[O-] ZINC000171000194 455012926 /nfs/dbraw/zinc/01/29/26/455012926.db2.gz ORCKHULWFJRUKI-UHFFFAOYSA-N 1 0 333.432 3.113 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]CCC(=O)NC2CCCCC2)cc1[N+](=O)[O-] ZINC000128686961 455077447 /nfs/dbraw/zinc/07/74/47/455077447.db2.gz RLKSPZCOIPGYML-AWEZNQCLSA-N 1 0 333.432 3.393 20 5 EGBDRO C[C@@H]([NH2+][C@H]1CCCN(c2ccccc2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000172029431 455110833 /nfs/dbraw/zinc/11/08/33/455110833.db2.gz CINQMIFRMFPRBD-KDOFPFPSSA-N 1 0 339.395 3.441 20 5 EGBDRO CC[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)C(C)(C)c1ccccc1 ZINC000180013129 455116299 /nfs/dbraw/zinc/11/62/99/455116299.db2.gz ACPYWZFJSDOFPO-KRWDZBQOSA-N 1 0 343.427 3.103 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H]1C1CCC1 ZINC000264029951 455186467 /nfs/dbraw/zinc/18/64/67/455186467.db2.gz ZRMDZSVDULDXCD-INIZCTEOSA-N 1 0 347.415 3.197 20 5 EGBDRO Cc1ccc([C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)N2CCCC2)o1 ZINC000237633827 455200940 /nfs/dbraw/zinc/20/09/40/455200940.db2.gz GWPCOMXHRMJZPR-KRWDZBQOSA-N 1 0 329.400 3.423 20 5 EGBDRO C[C@H](CCNC(=O)c1ccccc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000173605558 455316135 /nfs/dbraw/zinc/31/61/35/455316135.db2.gz LLGXAQNROACFBG-OAHLLOKOSA-N 1 0 341.411 3.235 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@](C)(O)c1cccs1 ZINC000265757757 455375514 /nfs/dbraw/zinc/37/55/14/455375514.db2.gz JGHGNCQTZDLKTO-INIZCTEOSA-N 1 0 336.413 3.052 20 5 EGBDRO COc1cc(C[NH2+][C@H](C)[C@H]2COc3ccccc32)c([N+](=O)[O-])cc1F ZINC000184408821 455377491 /nfs/dbraw/zinc/37/74/91/455377491.db2.gz XSISGYNQXSQQPO-BXUZGUMPSA-N 1 0 346.358 3.397 20 5 EGBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[NH+](C(C)C)C(C)C ZINC000184655178 455421979 /nfs/dbraw/zinc/42/19/79/455421979.db2.gz UCRITZAGNMPSGF-QGZVFWFLSA-N 1 0 349.475 3.399 20 5 EGBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[NH+](C(C)C)C(C)C ZINC000184655159 455422256 /nfs/dbraw/zinc/42/22/56/455422256.db2.gz UCRITZAGNMPSGF-KRWDZBQOSA-N 1 0 349.475 3.399 20 5 EGBDRO Cc1ccc(C[N@H+]2CCC[C@H](Cc3nccn3C)C2)cc1[N+](=O)[O-] ZINC000182091348 455433829 /nfs/dbraw/zinc/43/38/29/455433829.db2.gz PYUMJTHMVLPJJH-OAHLLOKOSA-N 1 0 328.416 3.091 20 5 EGBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCCC[N@@H+]1CC ZINC000184779097 455446543 /nfs/dbraw/zinc/44/65/43/455446543.db2.gz QHPRBMFDKDGHSG-WMZOPIPTSA-N 1 0 347.459 3.154 20 5 EGBDRO CCC[C@@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000182178016 455453341 /nfs/dbraw/zinc/45/33/41/455453341.db2.gz KRXORWYVDMDTML-DLBZAZTESA-N 1 0 344.411 3.466 20 5 EGBDRO COCc1cc(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)ccc1F ZINC000283874085 455606386 /nfs/dbraw/zinc/60/63/86/455606386.db2.gz BYZKZBZSXMMXOT-LLVKDONJSA-N 1 0 333.363 3.313 20 5 EGBDRO Cc1cc(F)c(NC(=O)NC2CC[NH+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000283906305 455610913 /nfs/dbraw/zinc/61/09/13/455610913.db2.gz JPUDSCXLZBJKON-UHFFFAOYSA-N 1 0 338.383 3.037 20 5 EGBDRO COc1ccc([C@H](OC)[C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000271452729 455642054 /nfs/dbraw/zinc/64/20/54/455642054.db2.gz FANKGVUFFMVRNN-SCLBCKFNSA-N 1 0 330.384 3.469 20 5 EGBDRO COCCc1nc(C)c([C@@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])s1 ZINC000271559171 455684771 /nfs/dbraw/zinc/68/47/71/455684771.db2.gz NYIYNHINJSREPY-GFCCVEGCSA-N 1 0 349.456 3.442 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1CCC[C@H](C)[C@H]1C ZINC000192803548 455695981 /nfs/dbraw/zinc/69/59/81/455695981.db2.gz RRYDKDVEONGIEF-GZBFAFLISA-N 1 0 349.431 3.346 20 5 EGBDRO Cc1nc(N2CCC[N@H+](Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000268486220 455696176 /nfs/dbraw/zinc/69/61/76/455696176.db2.gz MPFFXAKGPSLACT-UHFFFAOYSA-N 1 0 326.400 3.011 20 5 EGBDRO CN(C)C(=O)C1(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCCC1 ZINC000192861336 455708205 /nfs/dbraw/zinc/70/82/05/455708205.db2.gz LXLAUKJOHISUKI-QGZVFWFLSA-N 1 0 345.443 3.210 20 5 EGBDRO C[C@H]1C[C@@H](O)CCN1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000292726831 455741574 /nfs/dbraw/zinc/74/15/74/455741574.db2.gz FXJWTBZYQSDPKR-NHYWBVRUSA-N 1 0 333.413 3.064 20 5 EGBDRO CCCC[N@H+](CCCO)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000271768307 455752452 /nfs/dbraw/zinc/75/24/52/455752452.db2.gz QAEGWWJISVDKPC-UHFFFAOYSA-N 1 0 347.415 3.277 20 5 EGBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)[C@H]1Oc1ccccc1 ZINC000249391818 455753031 /nfs/dbraw/zinc/75/30/31/455753031.db2.gz AFOZEVLIXPUHCN-ZMSDIMECSA-N 1 0 348.424 3.371 20 5 EGBDRO Cc1nc2ccccc2n1CC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285126333 455792595 /nfs/dbraw/zinc/79/25/95/455792595.db2.gz LHIGNAJWRVOQLM-GFCCVEGCSA-N 1 0 339.399 3.186 20 5 EGBDRO C[N@H+](CCC(=O)Nc1ccccc1)CCc1ccccc1[N+](=O)[O-] ZINC000285343952 455828169 /nfs/dbraw/zinc/82/81/69/455828169.db2.gz PABUPMNWEOHMBF-UHFFFAOYSA-N 1 0 327.384 3.098 20 5 EGBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2C[C@H](c3ccccc3)[C@H]3CCC[C@H]32)c1 ZINC000285384940 455833518 /nfs/dbraw/zinc/83/35/18/455833518.db2.gz GXDFESZEEAGQLO-KZNAEPCWSA-N 1 0 326.400 3.059 20 5 EGBDRO O=[N+]([O-])c1ccc(NCc2ccccc2C[NH+]2CCC(O)CC2)cc1 ZINC000269361533 455843162 /nfs/dbraw/zinc/84/31/62/455843162.db2.gz PNJALEMCEDFRQM-UHFFFAOYSA-N 1 0 341.411 3.164 20 5 EGBDRO CCC[C@@]1([NH2+]Cc2ccc(Br)c([N+](=O)[O-])c2)CCOC1 ZINC000285585074 455876099 /nfs/dbraw/zinc/87/60/99/455876099.db2.gz OPMTYGXVJXGHQK-CQSZACIVSA-N 1 0 343.221 3.406 20 5 EGBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000285721298 455904006 /nfs/dbraw/zinc/90/40/06/455904006.db2.gz ILKAGOCZUXMENH-DOMZBBRYSA-N 1 0 343.383 3.040 20 5 EGBDRO O=[N+]([O-])c1ccc2nc(N3CCC([NH2+]CC4CC4)CC3)ccc2c1 ZINC000261657884 455922958 /nfs/dbraw/zinc/92/29/58/455922958.db2.gz KIJQVUMSUVXUQA-UHFFFAOYSA-N 1 0 326.400 3.111 20 5 EGBDRO Cc1c(CN2CC[NH2+]C[C@@H]2c2cccc(F)c2)cccc1[N+](=O)[O-] ZINC000261761855 455943490 /nfs/dbraw/zinc/94/34/90/455943490.db2.gz OAZHATTUVCSSMX-GOSISDBHSA-N 1 0 329.375 3.189 20 5 EGBDRO Cn1ccnc1[C@@H]([NH2+]C[C@H]1CC=CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000272470336 455961298 /nfs/dbraw/zinc/96/12/98/455961298.db2.gz AERNIUFTFFJICI-YOEHRIQHSA-N 1 0 326.400 3.364 20 5 EGBDRO CCc1ccc([C@H]2C[NH2+]CCN2C(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000261936767 455974721 /nfs/dbraw/zinc/97/47/21/455974721.db2.gz KBCWIPCXENAYRA-CQSZACIVSA-N 1 0 345.424 3.005 20 5 EGBDRO CCC(=O)c1ccc(NC[C@@]2([NH+](C)C)CCSC2)c([N+](=O)[O-])c1 ZINC000280644603 456021648 /nfs/dbraw/zinc/02/16/48/456021648.db2.gz DQYQUKFLWQPFOA-INIZCTEOSA-N 1 0 337.445 3.037 20 5 EGBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccc(F)cc1 ZINC000296787841 456037791 /nfs/dbraw/zinc/03/77/91/456037791.db2.gz SOOVMIACLQHXGV-QWHCGFSZSA-N 1 0 345.374 3.089 20 5 EGBDRO Cc1cc(N(C)Cc2ncc(Cl)n2C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272822534 456080500 /nfs/dbraw/zinc/08/05/00/456080500.db2.gz JDIYATABWSRUJD-UHFFFAOYSA-N 1 0 345.790 3.475 20 5 EGBDRO O=[N+]([O-])c1cnc(N2CCC[N@H+](Cc3ccccc3)CC2)c(Cl)c1 ZINC000301284578 456080715 /nfs/dbraw/zinc/08/07/15/456080715.db2.gz QBWMYEIDKFLMGG-UHFFFAOYSA-N 1 0 346.818 3.356 20 5 EGBDRO CC(C)c1ccc(C(=O)N2C[C@H]3CCCC[N@@H+]3C[C@H]2C)cc1[N+](=O)[O-] ZINC000332528537 456087293 /nfs/dbraw/zinc/08/72/93/456087293.db2.gz QARBYCXYYCWNEN-GDBMZVCRSA-N 1 0 345.443 3.417 20 5 EGBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1c1cccc(F)c1[N+](=O)[O-] ZINC000301515259 456135844 /nfs/dbraw/zinc/13/58/44/456135844.db2.gz COSRDTRXVHBFHT-CQSZACIVSA-N 1 0 329.375 3.445 20 5 EGBDRO O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000281163098 456150937 /nfs/dbraw/zinc/15/09/37/456150937.db2.gz ZWFNOYIUVJSAPA-SFHVURJKSA-N 1 0 345.443 3.051 20 5 EGBDRO Cc1cc([N+](=O)[O-])cnc1N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000301628509 456167681 /nfs/dbraw/zinc/16/76/81/456167681.db2.gz RQITWUVXGCEORO-ZBFHGGJFSA-N 1 0 326.400 3.373 20 5 EGBDRO Cc1ccccc1C[C@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000188925175 456173172 /nfs/dbraw/zinc/17/31/72/456173172.db2.gz KGYSPZVNZFAEBG-OAHLLOKOSA-N 1 0 334.803 3.250 20 5 EGBDRO CC(C)([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccccc1 ZINC000263658442 456184309 /nfs/dbraw/zinc/18/43/09/456184309.db2.gz DDHQTPBEVBOPCU-UHFFFAOYSA-N 1 0 339.395 3.009 20 5 EGBDRO Cc1ccc([C@H](CNC(=O)c2cccc([N+](=O)[O-])c2)[NH+]2CCCC2)o1 ZINC000263687751 456192575 /nfs/dbraw/zinc/19/25/75/456192575.db2.gz HZBLPZHDWUGWMW-INIZCTEOSA-N 1 0 343.383 3.063 20 5 EGBDRO CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000273161608 456196442 /nfs/dbraw/zinc/19/64/42/456196442.db2.gz BPHYZZKIDPCMRA-NSHDSACASA-N 1 0 345.403 3.090 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1OC(F)F ZINC000271268077 456198417 /nfs/dbraw/zinc/19/84/17/456198417.db2.gz CPIQGPPOSJQOTP-RYUDHWBXSA-N 1 0 327.331 3.235 20 5 EGBDRO CC(C)[NH+]1CCC(N(C)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000263745221 456210619 /nfs/dbraw/zinc/21/06/19/456210619.db2.gz HXNLZSJKYPGDJO-UHFFFAOYSA-N 1 0 344.415 3.021 20 5 EGBDRO Cc1cc(NC[C@H]2CCC[N@@H+](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301839007 456229973 /nfs/dbraw/zinc/22/99/73/456229973.db2.gz XFPDOPFROIGQMA-CQSZACIVSA-N 1 0 341.415 3.114 20 5 EGBDRO Cc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2)[NH+]2CCCC2)o1 ZINC000263838428 456240789 /nfs/dbraw/zinc/24/07/89/456240789.db2.gz WIFNLUYBHKIDTH-INIZCTEOSA-N 1 0 343.383 3.063 20 5 EGBDRO Cc1cc(N2CC[NH+](CC(C)C)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000301991064 456266566 /nfs/dbraw/zinc/26/65/66/456266566.db2.gz FWGXFKJADJQCCD-UHFFFAOYSA-N 1 0 328.416 3.229 20 5 EGBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000336790702 456307594 /nfs/dbraw/zinc/30/75/94/456307594.db2.gz LUYKATLLKTZWPJ-CZUORRHYSA-N 1 0 343.431 3.195 20 5 EGBDRO C[C@H](C[NH+]1CCCCC1)Nc1ccc([N+](=O)[O-])cc1OC(F)F ZINC000302176947 456308408 /nfs/dbraw/zinc/30/84/08/456308408.db2.gz XMYBXSIIPCDICO-LLVKDONJSA-N 1 0 329.347 3.483 20 5 EGBDRO C[C@@H]([NH2+]C1(CNc2ncc([N+](=O)[O-])cn2)CCCC1)c1ccccc1 ZINC000302180888 456309366 /nfs/dbraw/zinc/30/93/66/456309366.db2.gz ZOKYUXJBPUHDJE-CQSZACIVSA-N 1 0 341.415 3.460 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2nc(CNCCC[NH+]3CCCC3)cs2)c1 ZINC000347715047 456321391 /nfs/dbraw/zinc/32/13/91/456321391.db2.gz GKDTVAQIQODOKB-UHFFFAOYSA-N 1 0 346.456 3.294 20 5 EGBDRO C[N@@H+]1CCC[C@@H]2CN(c3ccc([N+](=O)[O-])cc3OC(F)F)CC[C@@H]21 ZINC000302226799 456323198 /nfs/dbraw/zinc/32/31/98/456323198.db2.gz PUPPGUDQWDYUPP-YPMHNXCESA-N 1 0 341.358 3.117 20 5 EGBDRO CCC[C@H](CCO)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000601140025 460728180 /nfs/dbraw/zinc/72/81/80/460728180.db2.gz PLZMSWBFJGMUMA-CYBMUJFWSA-N 1 0 335.429 3.359 20 5 EGBDRO Cc1cc(N(C)CC2([NH+](C)C)CCC2)c2cccc([N+](=O)[O-])c2n1 ZINC000302510920 456351974 /nfs/dbraw/zinc/35/19/74/456351974.db2.gz SMGJBINGEBIARL-UHFFFAOYSA-N 1 0 328.416 3.372 20 5 EGBDRO C[C@@H](CNc1c2c(ccc1[N+](=O)[O-])NCC2)[N@H+](C)Cc1ccccc1 ZINC000302886425 456427326 /nfs/dbraw/zinc/42/73/26/456427326.db2.gz NBNWBXINMQFIEH-AWEZNQCLSA-N 1 0 340.427 3.495 20 5 EGBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000340430917 456455784 /nfs/dbraw/zinc/45/57/84/456455784.db2.gz IJAKDHUEJBXSKN-UONOGXRCSA-N 1 0 339.395 3.051 20 5 EGBDRO C[C@H](CC[S@](C)=O)[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290935641 456471733 /nfs/dbraw/zinc/47/17/33/456471733.db2.gz SNPZOCAIXNNDJG-SQFXPLBJSA-N 1 0 339.244 3.148 20 5 EGBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)[C@H]1CCc2ccccc2NC1=O ZINC000282377300 456494764 /nfs/dbraw/zinc/49/47/64/456494764.db2.gz FQUCFGCVAGIWHP-SFHVURJKSA-N 1 0 339.395 3.023 20 5 EGBDRO COc1ccc(C[NH2+][C@@H](C)c2ccc3n[nH]cc3c2)cc1[N+](=O)[O-] ZINC000353114327 456498343 /nfs/dbraw/zinc/49/83/43/456498343.db2.gz VOAAYIGSNMCQIY-NSHDSACASA-N 1 0 326.356 3.331 20 5 EGBDRO CCCN(CC[NH+]1CCCC1)c1ccc([N+](=O)[O-])c2cnccc21 ZINC000343270313 456498924 /nfs/dbraw/zinc/49/89/24/456498924.db2.gz LVNLDWPGHPGPQX-UHFFFAOYSA-N 1 0 328.416 3.455 20 5 EGBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1cccc(-n2ccnn2)c1 ZINC000348126941 456501663 /nfs/dbraw/zinc/50/16/63/456501663.db2.gz RFFGXTJTLUQNIG-CQSZACIVSA-N 1 0 337.383 3.069 20 5 EGBDRO CC[C@H]1CCC[C@@H]1[NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000348177049 456515064 /nfs/dbraw/zinc/51/50/64/456515064.db2.gz BSHOCDZQYMYGSI-JSGCOSHPSA-N 1 0 333.388 3.061 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H]1CCO[C@H]1c1cccnc1 ZINC000343383984 456577800 /nfs/dbraw/zinc/57/78/00/456577800.db2.gz AMWBGFZZBJIYQS-QIMDTJCCSA-N 1 0 325.368 3.123 20 5 EGBDRO CN(Cc1ccc([S@@](C)=O)cc1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282646003 456580328 /nfs/dbraw/zinc/58/03/28/456580328.db2.gz CAVQYKLUYQZYEY-HSZRJFAPSA-N 1 0 336.388 3.103 20 5 EGBDRO CC[C@@H]1CN(c2nc(C)ccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000353280164 456606479 /nfs/dbraw/zinc/60/64/79/456606479.db2.gz ADDIFTMANBCECJ-QGZVFWFLSA-N 1 0 340.427 3.399 20 5 EGBDRO CC[NH+](CC)CCC[C@@H](C)Nc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000325567457 456685041 /nfs/dbraw/zinc/68/50/41/456685041.db2.gz UZHFAOMFJYPJEF-CYBMUJFWSA-N 1 0 331.420 3.460 20 5 EGBDRO CCOc1cc(C[NH2+][C@H]2CCC[C@@H]2OC(F)F)ccc1[N+](=O)[O-] ZINC000348458025 456695397 /nfs/dbraw/zinc/69/53/97/456695397.db2.gz QAPAHHAUWZRDOW-AAEUAGOBSA-N 1 0 330.331 3.243 20 5 EGBDRO C[C@H](c1ccncc1)[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000299557366 456728573 /nfs/dbraw/zinc/72/85/73/456728573.db2.gz GMWFFQVAWWWKRG-CYBMUJFWSA-N 1 0 328.372 3.011 20 5 EGBDRO C[N@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CCC[C@H]1O ZINC000348560560 456767149 /nfs/dbraw/zinc/76/71/49/456767149.db2.gz VKDAUSFFYJXRBV-LSDHHAIUSA-N 1 0 333.413 3.064 20 5 EGBDRO CC[N@@H+]1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@@H](C)C1 ZINC000348560949 456768021 /nfs/dbraw/zinc/76/80/21/456768021.db2.gz WHZXVWYFXTYXQA-ZDUSSCGKSA-N 1 0 346.456 3.244 20 5 EGBDRO CN(CCC[NH+]1CCCC1)C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000343753531 456772123 /nfs/dbraw/zinc/77/21/23/456772123.db2.gz XLTZMLKRYVMCSS-UHFFFAOYSA-N 1 0 347.459 3.450 20 5 EGBDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@@H](C)c3cc([N+](=O)[O-])ccc3C)[C@H]2C1 ZINC000343926453 456784427 /nfs/dbraw/zinc/78/44/27/456784427.db2.gz JBFQQRMDYKDDNC-BMIPRAEKSA-N 1 0 345.443 3.201 20 5 EGBDRO C[C@@H]1CCC[C@H]1C[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353593886 456789334 /nfs/dbraw/zinc/78/93/34/456789334.db2.gz LVEIOCOEUGDKQR-KMFMINBZSA-N 1 0 328.416 3.444 20 5 EGBDRO C[NH+](C)CCc1ccc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000301181951 456816241 /nfs/dbraw/zinc/81/62/41/456816241.db2.gz IEQTYHIXQKAIND-UHFFFAOYSA-N 1 0 330.344 3.351 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+]CCOCC(F)(F)C(F)F)c(Cl)c1 ZINC000277477007 456838056 /nfs/dbraw/zinc/83/80/56/456838056.db2.gz LHJBFPNUVHIZOE-UHFFFAOYSA-N 1 0 344.692 3.255 20 5 EGBDRO Cc1cccc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1C ZINC000353712753 456867722 /nfs/dbraw/zinc/86/77/22/456867722.db2.gz PRHJEWAEOSFJEG-INIZCTEOSA-N 1 0 326.400 3.293 20 5 EGBDRO CC[NH+](CC)C[C@H](C)NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000341693626 456902715 /nfs/dbraw/zinc/90/27/15/456902715.db2.gz GEQXVGUNSROVHO-NSHDSACASA-N 1 0 335.429 3.270 20 5 EGBDRO CC(C)(O)[C@@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000339043001 456912749 /nfs/dbraw/zinc/91/27/49/456912749.db2.gz KXLMKVMMWJUUKE-ZDUSSCGKSA-N 1 0 332.322 3.349 20 5 EGBDRO CS[C@H]1CN(c2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000349219490 456915428 /nfs/dbraw/zinc/91/54/28/456915428.db2.gz VZAFIWSJXYNWRS-CABCVRRESA-N 1 0 341.864 3.264 20 5 EGBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNc2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000341724289 456916263 /nfs/dbraw/zinc/91/62/63/456916263.db2.gz VMMRMCKDHSDPIN-TXEJJXNPSA-N 1 0 349.460 3.379 20 5 EGBDRO C[C@@H](NC(=O)c1ccccc1C[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000362621451 457009996 /nfs/dbraw/zinc/00/99/96/457009996.db2.gz HCLLOTSHWOJOEZ-CYBMUJFWSA-N 1 0 327.384 3.147 20 5 EGBDRO C[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1Cc1ccccc1 ZINC000341974654 457036499 /nfs/dbraw/zinc/03/64/99/457036499.db2.gz RIVMJQKXAVLHFB-GOSISDBHSA-N 1 0 343.402 3.093 20 5 EGBDRO C[C@H](C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)c1nccs1 ZINC000331390519 457177316 /nfs/dbraw/zinc/17/73/16/457177316.db2.gz ANBOIWZXNGDPEU-FRRDWIJNSA-N 1 0 335.433 3.125 20 5 EGBDRO C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCC[N@@H+]2CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000331563629 457207262 /nfs/dbraw/zinc/20/72/62/457207262.db2.gz JGFRRNGAYYUPRG-AXUOBQJMSA-N 1 0 348.443 3.235 20 5 EGBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C[C@@H]1C ZINC000354435059 457220421 /nfs/dbraw/zinc/22/04/21/457220421.db2.gz QVIKKBPWTWXOPO-QWHCGFSZSA-N 1 0 344.415 3.021 20 5 EGBDRO CCc1nc(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cs1 ZINC000331686584 457230703 /nfs/dbraw/zinc/23/07/03/457230703.db2.gz XSTZSPDUBFAXSZ-OLZOCXBDSA-N 1 0 335.433 3.084 20 5 EGBDRO C[C@H]1CCC[C@@H](C[NH+]2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000339740787 457243737 /nfs/dbraw/zinc/24/37/37/457243737.db2.gz LFISQNKDRHZIFO-JKSUJKDBSA-N 1 0 345.443 3.179 20 5 EGBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000351484477 457299969 /nfs/dbraw/zinc/29/99/69/457299969.db2.gz UMYXTDCLHMSKJK-CHWSQXEVSA-N 1 0 345.399 3.191 20 5 EGBDRO C[NH+](C)CCN(C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)C1CCCC1 ZINC000347259868 457317862 /nfs/dbraw/zinc/31/78/62/457317862.db2.gz LBCQJNWNQWHSJW-UHFFFAOYSA-N 1 0 338.383 3.072 20 5 EGBDRO C[C@H](CNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[N@@H+]1CCCC[C@@H]1C ZINC000347296563 457336907 /nfs/dbraw/zinc/33/69/07/457336907.db2.gz FVMSAFBGZCNUJQ-NWDGAFQWSA-N 1 0 338.383 3.118 20 5 EGBDRO O=[N+]([O-])c1cccnc1NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000347299192 457339373 /nfs/dbraw/zinc/33/93/73/457339373.db2.gz YUOYGXQCHPZBCR-UHFFFAOYSA-N 1 0 342.399 3.077 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000332327040 457349863 /nfs/dbraw/zinc/34/98/63/457349863.db2.gz RPNZWFWYXPZYGE-HNNXBMFYSA-N 1 0 346.431 3.208 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(Cn2ccnn2)CC1 ZINC000347330678 457356677 /nfs/dbraw/zinc/35/66/77/457356677.db2.gz DBSUDNSJHFREQB-RVDMUPIBSA-N 1 0 341.415 3.002 20 5 EGBDRO CC[C@H](Cc1ccc(C)cc1)[N@H+](CC)Cc1c([N+](=O)[O-])ncn1C ZINC000355335754 457358308 /nfs/dbraw/zinc/35/83/08/457358308.db2.gz OPMVTZYPMCXGDF-MRXNPFEDSA-N 1 0 330.432 3.480 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000332383602 457360204 /nfs/dbraw/zinc/36/02/04/457360204.db2.gz HYBOPPDMBRQVOC-OAHLLOKOSA-N 1 0 346.431 3.208 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)n1 ZINC000360868488 457395032 /nfs/dbraw/zinc/39/50/32/457395032.db2.gz BKHHPCPKCSLHJK-GOEBONIOSA-N 1 0 326.400 3.373 20 5 EGBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000360892688 457413224 /nfs/dbraw/zinc/41/32/24/457413224.db2.gz UZKXDCNMIFEIOS-LLVKDONJSA-N 1 0 349.460 3.040 20 5 EGBDRO C[NH+](C)CCO[C@H]1CCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000342639604 457421291 /nfs/dbraw/zinc/42/12/91/457421291.db2.gz UPISXTBJKXJRSB-NSHDSACASA-N 1 0 348.230 3.059 20 5 EGBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000360912996 457429733 /nfs/dbraw/zinc/42/97/33/457429733.db2.gz GGRIRBCQSMQFIZ-ZDUSSCGKSA-N 1 0 331.420 3.052 20 5 EGBDRO CC1CCC([N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000342686602 457456065 /nfs/dbraw/zinc/45/60/65/457456065.db2.gz APNWBFNTKQPXPP-VMBOVVBDSA-N 1 0 348.443 3.378 20 5 EGBDRO COC(=O)[C@@H](CC[N@H+](C)Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000425383776 457531419 /nfs/dbraw/zinc/53/14/19/457531419.db2.gz LQZHVBVGUHZZFI-KRWDZBQOSA-N 1 0 342.395 3.374 20 5 EGBDRO Cc1ccncc1CCC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000347645307 457571853 /nfs/dbraw/zinc/57/18/53/457571853.db2.gz AYYJGEPIWIFQEF-UHFFFAOYSA-N 1 0 340.427 3.053 20 5 EGBDRO CC[C@@H]1OCC[C@H]1[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425494959 457577192 /nfs/dbraw/zinc/57/71/92/457577192.db2.gz RSWDAQVUXUNSEE-YPMHNXCESA-N 1 0 329.194 3.014 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](C[C@@H](O)Cc3ccccc3)C2)cc1 ZINC000425495500 457577539 /nfs/dbraw/zinc/57/75/39/457577539.db2.gz SSOHVUBQTPPZET-ICSRJNTNSA-N 1 0 340.423 3.378 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](C)C[C@H]1C ZINC000425523942 457586057 /nfs/dbraw/zinc/58/60/57/457586057.db2.gz PZSCZSQRVUWDLM-CHWSQXEVSA-N 1 0 335.404 3.052 20 5 EGBDRO CCc1cnccc1[C@H](C)[NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000361134700 457604411 /nfs/dbraw/zinc/60/44/11/457604411.db2.gz IDUIWNOYJBKITQ-QWHCGFSZSA-N 1 0 342.399 3.230 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC([NH+]2CC=CC2)CC1 ZINC000364517730 457630632 /nfs/dbraw/zinc/63/06/32/457630632.db2.gz KIMOQBPGZDRYFD-UHFFFAOYSA-N 1 0 344.415 3.080 20 5 EGBDRO Cc1ccccc1[C@H]([C@H](C)NC(=O)c1csc([N+](=O)[O-])c1)[NH+](C)C ZINC000357875111 457720225 /nfs/dbraw/zinc/72/02/25/457720225.db2.gz RRJVPRKJONIGNJ-LRDDRELGSA-N 1 0 347.440 3.386 20 5 EGBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](CCC2CCCCC2)CC1 ZINC000361563359 457797930 /nfs/dbraw/zinc/79/79/30/457797930.db2.gz KHCBHYHMQJMOIC-UHFFFAOYSA-N 1 0 345.443 3.323 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@H](C)C[C@H](C)C1 ZINC000443663724 457801658 /nfs/dbraw/zinc/80/16/58/457801658.db2.gz YQRKJUUHQCIETA-IHRRRGAJSA-N 1 0 349.431 3.298 20 5 EGBDRO CCCC[N@H+](CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C1CC1 ZINC000411167683 457818468 /nfs/dbraw/zinc/81/84/68/457818468.db2.gz OKFTTWCHGXLEKB-UHFFFAOYSA-N 1 0 335.404 3.197 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@@H]1CCC[C@@H](C)C1 ZINC000411175322 457821102 /nfs/dbraw/zinc/82/11/02/457821102.db2.gz QIBDEDMUBFUFEU-ZIAGYGMSSA-N 1 0 349.431 3.443 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@@H]3CCO[C@H]3C3CC3)cs2)c1 ZINC000371221927 457830053 /nfs/dbraw/zinc/83/00/53/457830053.db2.gz ZQXOQKWONDIDDP-CVEARBPZSA-N 1 0 345.424 3.375 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[NH+]2CCC(F)(c3cccnc3)CC2)cc1 ZINC000375279802 457861956 /nfs/dbraw/zinc/86/19/56/457861956.db2.gz HJPMKUOUITWWRV-UHFFFAOYSA-N 1 0 329.375 3.493 20 5 EGBDRO CC(C)C[C@H]1OCCC[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444680464 457937621 /nfs/dbraw/zinc/93/76/21/457937621.db2.gz PJFWAUKTFDMHED-GOEBONIOSA-N 1 0 332.404 3.154 20 5 EGBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@@H]3CCO[C@H]3c3ccccc3)nc2c1 ZINC000444687581 457939750 /nfs/dbraw/zinc/93/97/50/457939750.db2.gz AWDVDFLMOKQUHY-QAPCUYQASA-N 1 0 338.367 3.091 20 5 EGBDRO CC(C)[C@H]1[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC12CCC2 ZINC000427190402 457957085 /nfs/dbraw/zinc/95/70/85/457957085.db2.gz UGPYCOVESXLNTB-QGZVFWFLSA-N 1 0 331.416 3.434 20 5 EGBDRO O=[N+]([O-])c1cccc(CN(Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)c1 ZINC000435396600 458138086 /nfs/dbraw/zinc/13/80/86/458138086.db2.gz ZLWTYNVHHZEHEN-GOSISDBHSA-N 1 0 340.427 3.134 20 5 EGBDRO CC(C)Oc1cc(C(=O)Nc2cnc3n2CCCC3)ccc1[N+](=O)[O-] ZINC000412370399 458183541 /nfs/dbraw/zinc/18/35/41/458183541.db2.gz JKJBWTJUYCMGOP-UHFFFAOYSA-N 1 0 344.371 3.167 20 5 EGBDRO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CCN1CCc2ccccc21 ZINC000428977851 458244672 /nfs/dbraw/zinc/24/46/72/458244672.db2.gz NTZIWXLAPGUAEX-UHFFFAOYSA-N 1 0 325.412 3.132 20 5 EGBDRO CCC1(CC)[C@H]([NH2+]Cc2cc(OC)c(F)cc2[N+](=O)[O-])C[C@H]1OC ZINC000429316807 458316453 /nfs/dbraw/zinc/31/64/53/458316453.db2.gz XBQIEINMBJCCSS-HZPDHXFCSA-N 1 0 340.395 3.426 20 5 EGBDRO C[C@@H]1CC[C@H]([N@H+](C)CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000429575209 458348030 /nfs/dbraw/zinc/34/80/30/458348030.db2.gz UKMCMXORBMQWGC-PWSUYJOCSA-N 1 0 325.796 3.307 20 5 EGBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000373010700 458375340 /nfs/dbraw/zinc/37/53/40/458375340.db2.gz CYDHSMPWEUJZOB-QGZVFWFLSA-N 1 0 331.416 3.008 20 5 EGBDRO CC(C)(C)OC(=O)[C@@]1(C)CCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000459570800 458414618 /nfs/dbraw/zinc/41/46/18/458414618.db2.gz BVTPXAMHECRUJV-KRWDZBQOSA-N 1 0 338.379 3.288 20 5 EGBDRO Cc1c([C@H](C)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000423506516 458445984 /nfs/dbraw/zinc/44/59/84/458445984.db2.gz HXVYKDMFIUZQIN-JCGIZDLHSA-N 1 0 325.412 3.309 20 5 EGBDRO Cc1cc(C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)ccc1[N+](=O)[O-] ZINC000437836181 458501015 /nfs/dbraw/zinc/50/10/15/458501015.db2.gz GEUIWIVIAVHIHB-KRWDZBQOSA-N 1 0 345.443 3.430 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H](CO)Cc1ccccc1 ZINC000468599649 458528035 /nfs/dbraw/zinc/52/80/35/458528035.db2.gz PYLBCSJGVWVTLF-BXBOZWQASA-N 1 0 326.396 3.191 20 5 EGBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1C[C@H]1C1CCC1 ZINC000424291549 458605837 /nfs/dbraw/zinc/60/58/37/458605837.db2.gz MGTQENNZKUGNFA-IFIJOSMWSA-N 1 0 331.416 3.338 20 5 EGBDRO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H]1C ZINC000470149752 458616437 /nfs/dbraw/zinc/61/64/37/458616437.db2.gz CRSXRKLGXZCIHU-MLGOLLRUSA-N 1 0 344.367 3.238 20 5 EGBDRO C[C@H]1C[N@H+](CCCNc2ccnc3c2cccc3[N+](=O)[O-])CCCO1 ZINC000432140265 458689040 /nfs/dbraw/zinc/68/90/40/458689040.db2.gz PJZPIYQMFNDVRL-AWEZNQCLSA-N 1 0 344.415 3.056 20 5 EGBDRO CC[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)CC(C)(C)C ZINC000463373814 458693604 /nfs/dbraw/zinc/69/36/04/458693604.db2.gz XUJADBWFJZYUML-UHFFFAOYSA-N 1 0 335.404 3.261 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CCCC[N@H+]1CC(C)C ZINC000439699621 458741498 /nfs/dbraw/zinc/74/14/98/458741498.db2.gz DQXBHIYOCSAGRV-INIZCTEOSA-N 1 0 333.432 3.144 20 5 EGBDRO CCC[C@@H]1[C@H](C)CCC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000464734930 458767283 /nfs/dbraw/zinc/76/72/83/458767283.db2.gz KTHJOKQELQTZKG-RHSMWYFYSA-N 1 0 333.432 3.458 20 5 EGBDRO CCOc1cc(N2CCC[N@@H+](C3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000530669478 458809423 /nfs/dbraw/zinc/80/94/23/458809423.db2.gz SAYSNVAVXFZOLK-UHFFFAOYSA-N 1 0 333.432 3.448 20 5 EGBDRO COC[C@H]([NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)[C@@H]1CCCO1 ZINC000433007932 458825647 /nfs/dbraw/zinc/82/56/47/458825647.db2.gz WXUHVQWLNZQTMM-IKGGRYGDSA-N 1 0 334.416 3.101 20 5 EGBDRO CCC[C@@H]1CCC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000466474513 458900440 /nfs/dbraw/zinc/90/04/40/458900440.db2.gz OVDVQCNNRJGLST-RHSMWYFYSA-N 1 0 331.416 3.212 20 5 EGBDRO COC(=O)[C@@H]1CC[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000475363903 458938809 /nfs/dbraw/zinc/93/88/09/458938809.db2.gz YBWAPBLDRKPKIH-XKHVPYPXSA-N 1 0 332.400 3.129 20 5 EGBDRO COC(=O)Nc1cccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2C)c1 ZINC000495814061 458964614 /nfs/dbraw/zinc/96/46/14/458964614.db2.gz LMMHOIPDDVNCLR-UHFFFAOYSA-N 1 0 329.356 3.371 20 5 EGBDRO COC[C@H](Cc1ccccc1)[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000475751516 458964886 /nfs/dbraw/zinc/96/48/86/458964886.db2.gz XFXKNIRFRVYBIR-SFHVURJKSA-N 1 0 344.411 3.163 20 5 EGBDRO CCOC(=O)c1cc(NC[C@@H]2CC[N@H+](CC(C)C)C2)ccc1[N+](=O)[O-] ZINC000467801879 458988036 /nfs/dbraw/zinc/98/80/36/458988036.db2.gz YAUDNCMOCRJJMS-AWEZNQCLSA-N 1 0 349.431 3.161 20 5 EGBDRO COc1cc(F)c(C[NH2+]CCc2ccccc2[N+](=O)[O-])cc1OC ZINC000566859995 459012191 /nfs/dbraw/zinc/01/21/91/459012191.db2.gz LLNHZKMCZIYHRO-UHFFFAOYSA-N 1 0 334.347 3.083 20 5 EGBDRO C[C@@H]([NH2+]CCNc1ccc2ccccc2n1)c1cccc([N+](=O)[O-])c1 ZINC000557277722 459061123 /nfs/dbraw/zinc/06/11/23/459061123.db2.gz MXWGQHICAMWICP-CQSZACIVSA-N 1 0 336.395 3.328 20 5 EGBDRO Cc1cccc(C[C@@H](CO)[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000594499794 459063798 /nfs/dbraw/zinc/06/37/98/459063798.db2.gz KAELVGCHRWJDSI-MAUKXSAKSA-N 1 0 326.396 3.084 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(C2CC2)CC1 ZINC000590008692 459066207 /nfs/dbraw/zinc/06/62/07/459066207.db2.gz TVJYUKDSVKDDGG-UHFFFAOYSA-N 1 0 331.416 3.354 20 5 EGBDRO CO[C@H](C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])Cc1ccccc1 ZINC000594506239 459067166 /nfs/dbraw/zinc/06/71/66/459067166.db2.gz NPRZQJACRCBFQG-YJBOKZPZSA-N 1 0 326.396 3.429 20 5 EGBDRO CCOC(=O)C1([N@H+](C)CCc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000478039618 459073098 /nfs/dbraw/zinc/07/30/98/459073098.db2.gz GRRDKZJAAUHOML-UHFFFAOYSA-N 1 0 334.416 3.335 20 5 EGBDRO C[S@@](=O)Cc1ccc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000594516726 459074732 /nfs/dbraw/zinc/07/47/32/459074732.db2.gz DBTOQKRHMBEDLD-MZNJEOGPSA-N 1 0 344.436 3.250 20 5 EGBDRO C[S@@](=O)Cc1ccc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000594516725 459074925 /nfs/dbraw/zinc/07/49/25/459074925.db2.gz DBTOQKRHMBEDLD-BXKMTCNYSA-N 1 0 344.436 3.250 20 5 EGBDRO CC[N@@H+]1CCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@H]1C ZINC000590169188 459097198 /nfs/dbraw/zinc/09/71/98/459097198.db2.gz UFTYVSCQGAGCJC-LLVKDONJSA-N 1 0 331.338 3.140 20 5 EGBDRO CC[C@H](C)[C@H](C)[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000532966497 459166214 /nfs/dbraw/zinc/16/62/14/459166214.db2.gz PSIJFSXXFCOZPE-KBPBESRZSA-N 1 0 333.432 3.457 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2ccc(O[C@H]3CCOC3)cc2)cc1 ZINC000594922912 459177467 /nfs/dbraw/zinc/17/74/67/459177467.db2.gz VUJSLUBSOPXSKJ-IBGZPJMESA-N 1 0 342.395 3.095 20 5 EGBDRO COC[C@H](C)Oc1ccc(C[NH2+]Cc2ccccc2[N+](=O)[O-])cc1 ZINC000594925589 459179076 /nfs/dbraw/zinc/17/90/76/459179076.db2.gz OLMJKBUSOIYMFJ-AWEZNQCLSA-N 1 0 330.384 3.298 20 5 EGBDRO O=[N+]([O-])c1cccc(CC[NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)c1 ZINC000594939961 459185105 /nfs/dbraw/zinc/18/51/05/459185105.db2.gz WZCXSQZSHBATMJ-LJQANCHMSA-N 1 0 342.395 3.095 20 5 EGBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000480206991 459187560 /nfs/dbraw/zinc/18/75/60/459187560.db2.gz QPFLKEIZTAYJCJ-ZBFHGGJFSA-N 1 0 339.395 3.411 20 5 EGBDRO Cn1cc([C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3F)CC2(C)C)cn1 ZINC000578375938 459189883 /nfs/dbraw/zinc/18/98/83/459189883.db2.gz LJTSLXLFEIITGU-OAHLLOKOSA-N 1 0 332.379 3.093 20 5 EGBDRO CC(C)(C)OCCC[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000594975204 459202817 /nfs/dbraw/zinc/20/28/17/459202817.db2.gz MUWMQAWHEDMWHU-UHFFFAOYSA-N 1 0 332.347 3.491 20 5 EGBDRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000590767697 459209333 /nfs/dbraw/zinc/20/93/33/459209333.db2.gz FRNYGNPLTDWCLR-RDJZCZTQSA-N 1 0 347.459 3.325 20 5 EGBDRO CNC(=O)CC1(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCCCC1 ZINC000594995725 459209772 /nfs/dbraw/zinc/20/97/72/459209772.db2.gz KAVPKKWXMVBYIX-VQHVLOKHSA-N 1 0 345.443 3.284 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H]1Cc2ccccc2O1 ZINC000595003374 459211581 /nfs/dbraw/zinc/21/15/81/459211581.db2.gz FEXJKUTUPUBXPC-SWLSCSKDSA-N 1 0 328.368 3.258 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H](c1ccco1)N(C)C ZINC000595008843 459214420 /nfs/dbraw/zinc/21/44/20/459214420.db2.gz WKQKPFSKFSLHAG-WFASDCNBSA-N 1 0 333.388 3.150 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC1([C@H](C)CCO)CCC1 ZINC000595029265 459222341 /nfs/dbraw/zinc/22/23/41/459222341.db2.gz YFKFJZVFOFHRLD-KGLIPLIRSA-N 1 0 336.432 3.443 20 5 EGBDRO C[C@@H]([NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)C1(CO)CC1 ZINC000595066510 459234593 /nfs/dbraw/zinc/23/45/93/459234593.db2.gz IBDJLTXRFFSDDC-RDTXWAMCSA-N 1 0 326.396 3.435 20 5 EGBDRO C[C@H]1CCCC[C@H]1OCC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000581990542 459287784 /nfs/dbraw/zinc/28/77/84/459287784.db2.gz RSXMHZSACSLXHT-WMLDXEAASA-N 1 0 349.431 3.108 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](C2CCC2)C1 ZINC000591061927 459302956 /nfs/dbraw/zinc/30/29/56/459302956.db2.gz OQFYXUHYWQEGEP-HNNXBMFYSA-N 1 0 331.416 3.354 20 5 EGBDRO COc1ccc(-c2ccc(CNC[C@@H]3CCCC[NH2+]3)o2)c([N+](=O)[O-])c1 ZINC000591275684 459346132 /nfs/dbraw/zinc/34/61/32/459346132.db2.gz XWZTVKWQHKUULY-ZDUSSCGKSA-N 1 0 345.399 3.095 20 5 EGBDRO CC(C)[C@H]1CCC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000524484215 459367528 /nfs/dbraw/zinc/36/75/28/459367528.db2.gz NUYDYVJWYZLJRA-DOTOQJQBSA-N 1 0 336.432 3.093 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](NC[C@@H]2CCCC[NH2+]2)c2ccccc2)c1 ZINC000591577889 459406206 /nfs/dbraw/zinc/40/62/06/459406206.db2.gz LWPCTHXTUXEVHZ-HKUYNNGSSA-N 1 0 325.412 3.416 20 5 EGBDRO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)C[C@H]1[NH3+] ZINC000591586704 459408525 /nfs/dbraw/zinc/40/85/25/459408525.db2.gz HBQDNXVMDXHYKB-IAQYHMDHSA-N 1 0 349.456 3.049 20 5 EGBDRO CC(C)C[C@@](C)(C[NH3+])NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000591676300 459420545 /nfs/dbraw/zinc/42/05/45/459420545.db2.gz KNIYLBCXYAMZFF-AWEZNQCLSA-N 1 0 347.337 3.107 20 5 EGBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000595791584 459442398 /nfs/dbraw/zinc/44/23/98/459442398.db2.gz WAQQLYIRRRUIAX-WBVHZDCISA-N 1 0 334.416 3.255 20 5 EGBDRO C[C@@H](C(=O)NC1CC[NH+](C(C)(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000583117860 459484767 /nfs/dbraw/zinc/48/47/67/459484767.db2.gz DQTCIWXCBFHFDZ-CYBMUJFWSA-N 1 0 333.432 3.077 20 5 EGBDRO CCCC[C@@H](C)[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000562058898 459507946 /nfs/dbraw/zinc/50/79/46/459507946.db2.gz VAASSULLMLUJTP-CYBMUJFWSA-N 1 0 337.420 3.443 20 5 EGBDRO CCn1nccc1C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000596095989 459518941 /nfs/dbraw/zinc/51/89/41/459518941.db2.gz SQYWJJCNQFAHEX-PBHICJAKSA-N 1 0 328.416 3.312 20 5 EGBDRO Cc1ccc([C@@H](CNc2cc[nH]c(=O)c2[N+](=O)[O-])[NH+]2CCCC2)cc1 ZINC000596098022 459520268 /nfs/dbraw/zinc/52/02/68/459520268.db2.gz PXXYUDJVCCNQKS-MRXNPFEDSA-N 1 0 342.399 3.253 20 5 EGBDRO O=c1[nH]ccc(NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)c1[N+](=O)[O-] ZINC000596100976 459521608 /nfs/dbraw/zinc/52/16/08/459521608.db2.gz FXBGFDXGIOVHNG-LBPRGKRZSA-N 1 0 348.428 3.081 20 5 EGBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC[C@H]2[C@H]2CCCOC2)cc1 ZINC000592134223 459531706 /nfs/dbraw/zinc/53/17/06/459531706.db2.gz LLQSGRVPTOCUQK-YJBOKZPZSA-N 1 0 334.416 3.255 20 5 EGBDRO C[N@@H+]1CCC[C@@H](CNc2cc[nH]c(=O)c2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000596147139 459537317 /nfs/dbraw/zinc/53/73/17/459537317.db2.gz UOVCXOBHBUFQTE-SMDDNHRTSA-N 1 0 348.428 3.252 20 5 EGBDRO C[C@@H](CCNc1cc[nH]c(=O)c1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000596154147 459539733 /nfs/dbraw/zinc/53/97/33/459539733.db2.gz YDADTBXESMWXPC-ZDUSSCGKSA-N 1 0 330.388 3.018 20 5 EGBDRO C[C@@H]1CCC[N@H+](CCNC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000498350136 459582553 /nfs/dbraw/zinc/58/25/53/459582553.db2.gz RAAYUQXYEOSKFB-CQSZACIVSA-N 1 0 347.459 3.354 20 5 EGBDRO Cc1c(C(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC000498355125 459584219 /nfs/dbraw/zinc/58/42/19/459584219.db2.gz TZAGSTJJVJKVIQ-SFHVURJKSA-N 1 0 347.459 3.390 20 5 EGBDRO CCC(CC)[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1F)[NH+](C)C ZINC000542718795 459585536 /nfs/dbraw/zinc/58/55/36/459585536.db2.gz XMIDTBHJQXDXBM-HNNXBMFYSA-N 1 0 340.399 3.222 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2ccc(CN3CC[C@@H]4CC[NH2+][C@@H]4C3)o2)c1 ZINC000592432874 459599496 /nfs/dbraw/zinc/59/94/96/459599496.db2.gz ZJVGPRSTZSDLCD-SUMWQHHRSA-N 1 0 327.384 3.039 20 5 EGBDRO CC1=CCC[C@@H](C)[C@H]1C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000527201841 459606471 /nfs/dbraw/zinc/60/64/71/459606471.db2.gz PMEXGHMAXQUGNQ-WBVHZDCISA-N 1 0 330.432 3.104 20 5 EGBDRO COc1cc(NC[C@@H]2CC[N@@H+]2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000596558975 459677436 /nfs/dbraw/zinc/67/74/36/459677436.db2.gz VXRQHRISTCYJDU-INIZCTEOSA-N 1 0 327.384 3.290 20 5 EGBDRO O=C(CC[NH2+][C@@H]1CCc2ccccc21)Nc1ccccc1[N+](=O)[O-] ZINC000592994568 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CC[C@@]1(C)CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000173777474 536036639 /nfs/dbraw/zinc/03/66/39/536036639.db2.gz TWRCEGWNEIANKQ-SFHVURJKSA-N 1 0 349.431 3.444 20 5 EGBDRO CC[NH+]1CCC(CNC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000726278623 574547928 /nfs/dbraw/zinc/54/79/28/574547928.db2.gz LDQOJTYKFRVQKS-UHFFFAOYSA-N 1 0 340.811 3.102 20 5 EGBDRO CC[N@H+](CCOc1ccccc1[N+](=O)[O-])C[C@@H](O)c1ccc(C)cc1 ZINC000743866136 576817695 /nfs/dbraw/zinc/81/76/95/576817695.db2.gz HVWTWJMIUQOCTF-GOSISDBHSA-N 1 0 344.411 3.338 20 5 EGBDRO C[C@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1ccc(-c2nn[nH]n2)cc1 ZINC000820410017 599366459 /nfs/dbraw/zinc/36/64/59/599366459.db2.gz BYXDDLZQYLKAGR-RYUDHWBXSA-N 1 0 338.371 3.187 20 5 EGBDRO Cc1c(CNc2ccccc2N2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000873097462 1297271283 /nfs/dbraw/zinc/27/12/83/1297271283.db2.gz RMHQMDDXZJFHMI-UHFFFAOYSA-N 1 0 340.427 3.267 20 5 EGBDRO O=[N+]([O-])c1ccc2oc(=S)n(C[N@H+](C[C@@H]3CCOC3)C3CC3)c2c1 ZINC000054495680 1291753999 /nfs/dbraw/zinc/75/39/99/1291753999.db2.gz QRWRXDLJVZZZJY-NSHDSACASA-N 1 0 349.412 3.330 20 5 EGBDRO CC(C)c1noc(CC[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000089577268 1292772184 /nfs/dbraw/zinc/77/21/84/1292772184.db2.gz UTVIHIPZRXRNPQ-HNNXBMFYSA-N 1 0 344.415 3.255 20 5 EGBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000831943531 1292939703 /nfs/dbraw/zinc/93/97/03/1292939703.db2.gz CIQXLXYJLPEQQN-LBPRGKRZSA-N 1 0 339.823 3.161 20 5 EGBDRO C[C@@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)c1cccc(O)c1 ZINC000129814101 1293636132 /nfs/dbraw/zinc/63/61/32/1293636132.db2.gz HOGJWNVXRSAPEG-LLVKDONJSA-N 1 0 347.346 3.119 20 5 EGBDRO Cc1cccc2c1CC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000171608987 1294413278 /nfs/dbraw/zinc/41/32/78/1294413278.db2.gz NDVDOAHSTHSFRC-UHFFFAOYSA-N 1 0 339.395 3.290 20 5 EGBDRO CC[C@H]([NH2+]C[C@@]1(O)CCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000181672588 1294984229 /nfs/dbraw/zinc/98/42/29/1294984229.db2.gz QUBMEROJUUAKFQ-OALUTQOASA-N 1 0 326.396 3.470 20 5 EGBDRO C[C@@H]1OCC[C@@]1(C)[NH2+]Cc1ccc([N+](=O)[O-])cc1Br ZINC000235448715 1296184895 /nfs/dbraw/zinc/18/48/95/1296184895.db2.gz VAZNSVYRUFTDDK-TVQRCGJNSA-N 1 0 329.194 3.014 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC1(C(N)=O)CCCC1 ZINC000872035644 1296685290 /nfs/dbraw/zinc/68/52/90/1296685290.db2.gz PQCGPPRNYWTFIK-NSHDSACASA-N 1 0 337.445 3.013 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCOC[C@@H]1CCOC1 ZINC000872036511 1296687442 /nfs/dbraw/zinc/68/74/42/1296687442.db2.gz SVQGORMUJUTASP-QWHCGFSZSA-N 1 0 340.445 3.020 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCO[C@@H]1CCOC1 ZINC000872043592 1296693143 /nfs/dbraw/zinc/69/31/43/1296693143.db2.gz ZMHIRPDDMKXGJA-TZMCWYRMSA-N 1 0 340.445 3.163 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCc1nc(C)no1 ZINC000872046631 1296697028 /nfs/dbraw/zinc/69/70/28/1296697028.db2.gz JXQASECOEHIMQG-SNVBAGLBSA-N 1 0 336.417 3.292 20 5 EGBDRO C[C@@]1(CNc2ncc([N+](=O)[O-])s2)CC[N@H+](Cc2ccccc2)C1 ZINC000309860438 1297078279 /nfs/dbraw/zinc/07/82/79/1297078279.db2.gz DATUHZKHFRAJDO-INIZCTEOSA-N 1 0 332.429 3.375 20 5 EGBDRO Cc1c(C[NH2+]Cc2cccc(C(=O)NC3CC3)c2)cccc1[N+](=O)[O-] ZINC000873024733 1297230585 /nfs/dbraw/zinc/23/05/85/1297230585.db2.gz ABKCGSMNUAJXQG-UHFFFAOYSA-N 1 0 339.395 3.085 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H]1CCO[C@]2(CCSC2)C1 ZINC000873081549 1297263887 /nfs/dbraw/zinc/26/38/87/1297263887.db2.gz JUPAEHBQTQDFND-WMLDXEAASA-N 1 0 336.457 3.356 20 5 EGBDRO Cc1c(C[NH2+]C2CCC(O)(c3cccnc3)CC2)cccc1[N+](=O)[O-] ZINC000873106844 1297274927 /nfs/dbraw/zinc/27/49/27/1297274927.db2.gz FRWRDSPLUWQFOE-UHFFFAOYSA-N 1 0 341.411 3.218 20 5 EGBDRO Cc1cc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc(N2CCCC2)n1 ZINC000873128007 1297285864 /nfs/dbraw/zinc/28/58/64/1297285864.db2.gz ZPJDSGYQSUDWOH-UHFFFAOYSA-N 1 0 340.427 3.497 20 5 EGBDRO CC(C)[C@@]1(CO)CC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000339204814 1297295574 /nfs/dbraw/zinc/29/55/74/1297295574.db2.gz QAUURHACRGKBQV-HNNXBMFYSA-N 1 0 346.349 3.454 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000873299526 1297419406 /nfs/dbraw/zinc/41/94/06/1297419406.db2.gz TWAGIBUBHGCOTD-INIZCTEOSA-N 1 0 345.443 3.063 20 5 EGBDRO O=[N+]([O-])c1c(F)cccc1N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000705616663 1298214731 /nfs/dbraw/zinc/21/47/31/1298214731.db2.gz HUMYLAUBZXQRIG-IYBDPMFKSA-N 1 0 341.386 3.302 20 5 EGBDRO Cc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000715137382 1298279097 /nfs/dbraw/zinc/27/90/97/1298279097.db2.gz PBFCSDSBEMJZPZ-SHTZXODSSA-N 1 0 349.431 3.296 20 5 EGBDRO CN(C(=O)CC[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1ccccc1 ZINC000748819400 1299085080 /nfs/dbraw/zinc/08/50/80/1299085080.db2.gz HJRNXHNBYKCEOX-UHFFFAOYSA-N 1 0 347.802 3.391 20 5 EGBDRO CC1(O)CCC([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000877076412 1299147732 /nfs/dbraw/zinc/14/77/32/1299147732.db2.gz WWBFEDHOWTXISZ-UHFFFAOYSA-N 1 0 349.250 3.202 20 5 EGBDRO CC(C)(C)OC(=O)N[C@@H](C[NH2+]CCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000877162262 1299189385 /nfs/dbraw/zinc/18/93/85/1299189385.db2.gz GCGXFFWYQSHWPR-INIZCTEOSA-N 1 0 349.431 3.030 20 5 EGBDRO Cc1cc(C)c(CC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000749679908 1299254192 /nfs/dbraw/zinc/25/41/92/1299254192.db2.gz XXEYHIKSFANOCG-IBGZPJMESA-N 1 0 328.412 3.386 20 5 EGBDRO CC(C)COc1ccccc1C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000749693856 1299257422 /nfs/dbraw/zinc/25/74/22/1299257422.db2.gz VVVSZJXGAZKMRJ-SFHVURJKSA-N 1 0 344.411 3.453 20 5 EGBDRO Cc1nn(C[NH+]2CCC3(CCCC3)CC2)c2ncc([N+](=O)[O-])cc12 ZINC000749953634 1299310049 /nfs/dbraw/zinc/31/00/49/1299310049.db2.gz HYEDKTWJSQWHCE-UHFFFAOYSA-N 1 0 329.404 3.262 20 5 EGBDRO CO[C@@]1(C)C[C@H]([N@H+](C)Cn2ncc3ccc([N+](=O)[O-])cc32)C1(C)C ZINC000751933448 1299657078 /nfs/dbraw/zinc/65/70/78/1299657078.db2.gz JPJRLWQAYWTPMS-RDJZCZTQSA-N 1 0 332.404 3.037 20 5 EGBDRO Cc1cc(F)cc(C(=O)NCC(C)(C)[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000753083911 1299866174 /nfs/dbraw/zinc/86/61/74/1299866174.db2.gz RYWVXCTWUMYAIL-UHFFFAOYSA-N 1 0 337.395 3.037 20 5 EGBDRO CC(C)(C)S(=O)(=O)CCC[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000878643198 1300122944 /nfs/dbraw/zinc/12/29/44/1300122944.db2.gz DGOHOVXAAQCNEQ-UHFFFAOYSA-N 1 0 342.461 3.023 20 5 EGBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761521699 1301490663 /nfs/dbraw/zinc/49/06/63/1301490663.db2.gz KAMKFENAXQNDRE-QWHCGFSZSA-N 1 0 325.840 3.458 20 5 EGBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H](C)Cc1ccco1 ZINC000764773331 1302132168 /nfs/dbraw/zinc/13/21/68/1302132168.db2.gz GYHLONDIYGOCEC-CHWSQXEVSA-N 1 0 331.372 3.126 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)COc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000765289705 1302239349 /nfs/dbraw/zinc/23/93/49/1302239349.db2.gz NAHTWHGYRLCHGE-XJKSGUPXSA-N 1 0 348.374 3.133 20 5 EGBDRO CC[NH+](CC)C[C@H](C)Nc1cc(Cl)c(C(=O)OC)cc1[N+](=O)[O-] ZINC000765475495 1302270621 /nfs/dbraw/zinc/27/06/21/1302270621.db2.gz WGSGISSICWRYML-JTQLQIEISA-N 1 0 343.811 3.177 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)c1C ZINC000884395337 1302839752 /nfs/dbraw/zinc/83/97/52/1302839752.db2.gz ZKMBYFNUYHWDIE-MRXNPFEDSA-N 1 0 345.443 3.063 20 5 EGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@H]1CCOC2(CCOCC2)C1 ZINC000769414219 1303109188 /nfs/dbraw/zinc/10/91/88/1303109188.db2.gz PTVKETTYOQWFCP-AWEZNQCLSA-N 1 0 340.807 3.066 20 5 EGBDRO C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1F)[C@H](c1ccccc1)[NH+](C)C ZINC000770052039 1303212535 /nfs/dbraw/zinc/21/25/35/1303212535.db2.gz VETRYYBBLKNKSD-YVEFUNNKSA-N 1 0 345.374 3.155 20 5 EGBDRO O=C(OCC[NH+]1CCCCC1)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000770410357 1303263827 /nfs/dbraw/zinc/26/38/27/1303263827.db2.gz HFOXCLPIWYOIOT-UHFFFAOYSA-N 1 0 330.743 3.030 20 5 EGBDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886040792 1303330795 /nfs/dbraw/zinc/33/07/95/1303330795.db2.gz DIYMFPJEPVKCKT-INIZCTEOSA-N 1 0 346.475 3.466 20 5 EGBDRO CS[C@H]1CN(c2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1[NH+]1CCCC1 ZINC000772581623 1303550033 /nfs/dbraw/zinc/55/00/33/1303550033.db2.gz VYOIZMBBMSNFJW-GJZGRUSLSA-N 1 0 341.864 3.264 20 5 EGBDRO CC(C)c1ccc(C[NH2+]C[C@@H]2COC3(CCCC3)O2)cc1[N+](=O)[O-] ZINC000773415836 1303676422 /nfs/dbraw/zinc/67/64/22/1303676422.db2.gz NNAWUJKSOOJHGN-OAHLLOKOSA-N 1 0 334.416 3.494 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000775381141 1303950898 /nfs/dbraw/zinc/95/08/98/1303950898.db2.gz QSXRGMLKEVPOJB-YUELXQCFSA-N 1 0 340.470 3.073 20 5 EGBDRO CC[C@@](C)([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000775392191 1303954605 /nfs/dbraw/zinc/95/46/05/1303954605.db2.gz YZHCFVOVHMSMJU-PKOBYXMFSA-N 1 0 344.411 3.250 20 5 EGBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N1CC[N@@H+](C)[C@H](C)[C@@H]1C ZINC000888284674 1304100758 /nfs/dbraw/zinc/10/07/58/1304100758.db2.gz HVWMTQUITNPPDP-MNOVXSKESA-N 1 0 340.811 3.113 20 5 EGBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N[C@@H](C)CC[NH+](C)C ZINC000888286480 1304101872 /nfs/dbraw/zinc/10/18/72/1304101872.db2.gz LCFPELHNULKGOV-JTQLQIEISA-N 1 0 328.800 3.018 20 5 EGBDRO Cc1nc2c(s1)[C@H]([N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CCC2 ZINC000776592380 1304177770 /nfs/dbraw/zinc/17/77/70/1304177770.db2.gz NDJVKMPJDYDQLO-HZPDHXFCSA-N 1 0 347.440 3.403 20 5 EGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000777729154 1304340733 /nfs/dbraw/zinc/34/07/33/1304340733.db2.gz FWYFPZAHGHNJNG-UGSOOPFHSA-N 1 0 330.359 3.388 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)ON=C(N)C[NH+]1CCCCCC1 ZINC000778592139 1304471710 /nfs/dbraw/zinc/47/17/10/1304471710.db2.gz GKCKLEKZCWHHFE-CQSZACIVSA-N 1 0 334.420 3.339 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CC[C@H]3CCCCO3)CC2)cc1 ZINC000780744217 1304733386 /nfs/dbraw/zinc/73/33/86/1304733386.db2.gz VGWVGZMICXQGLR-GOSISDBHSA-N 1 0 333.432 3.112 20 5 EGBDRO CN(CC1([NH+](C)C)CCC1)c1ccc([N+](=O)[O-])cc1OC(F)F ZINC000782425552 1304971140 /nfs/dbraw/zinc/97/11/40/1304971140.db2.gz HNTUDJVAEMSXFU-UHFFFAOYSA-N 1 0 329.347 3.117 20 5 EGBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000783573891 1305110776 /nfs/dbraw/zinc/11/07/76/1305110776.db2.gz MIYFCFDTYPQEPT-HNNXBMFYSA-N 1 0 337.851 3.412 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+]CCN2Cc3ccccc3C2)cc1Cl ZINC000783596953 1305113558 /nfs/dbraw/zinc/11/35/58/1305113558.db2.gz ZVHNXFKWTMUTTI-UHFFFAOYSA-N 1 0 331.803 3.354 20 5 EGBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@@H](O)C(F)(F)F ZINC000783653284 1305123413 /nfs/dbraw/zinc/12/34/13/1305123413.db2.gz ZVGMXLYKLWDBCZ-GXSJLCMTSA-N 1 0 326.702 3.040 20 5 EGBDRO COc1cc([N+](=O)[O-])cnc1NCc1cccc(C[NH+]2CCCC2)c1 ZINC000891753577 1305157385 /nfs/dbraw/zinc/15/73/85/1305157385.db2.gz CZWOKBDOBCFZFN-UHFFFAOYSA-N 1 0 342.399 3.206 20 5 EGBDRO CC[N@H+](C)Cc1cccc(CNc2ncc([N+](=O)[O-])cc2OC)c1 ZINC000891965118 1305220839 /nfs/dbraw/zinc/22/08/39/1305220839.db2.gz LBMWOQSCIAFYTK-UHFFFAOYSA-N 1 0 330.388 3.062 20 5 EGBDRO CC(C)c1ccc(C(=O)NC[C@H](C)[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000784357007 1305233558 /nfs/dbraw/zinc/23/35/58/1305233558.db2.gz YDFNGUORWLTBCQ-AWEZNQCLSA-N 1 0 333.432 3.322 20 5 EGBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@H]3CCc4ccccc43)CC2)n1 ZINC000785855645 1305455865 /nfs/dbraw/zinc/45/58/65/1305455865.db2.gz MPHAIGGYFWPCFH-OAHLLOKOSA-N 1 0 326.400 3.158 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1COC2(CCCC2)O1 ZINC000786820956 1305634433 /nfs/dbraw/zinc/63/44/33/1305634433.db2.gz MZHOESQMNOYNGW-ZGUWOUCSSA-N 1 0 332.400 3.273 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C[C@@H]1COC2(CCCC2)O1 ZINC000893291634 1305808085 /nfs/dbraw/zinc/80/80/85/1305808085.db2.gz POUWSOPSLPGIFT-CYBMUJFWSA-N 1 0 326.780 3.024 20 5 EGBDRO C[C@@H]([NH2+]C[C@H](C)Oc1ccccc1F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788607081 1305981113 /nfs/dbraw/zinc/98/11/13/1305981113.db2.gz COPWUXKPZGOSGL-NWDGAFQWSA-N 1 0 333.363 3.434 20 5 EGBDRO CCOC[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C(C)C ZINC000788985758 1306056885 /nfs/dbraw/zinc/05/68/85/1306056885.db2.gz QYZLZYAOUJNOEM-SFHVURJKSA-N 1 0 335.448 3.214 20 5 EGBDRO COc1cccc(CN(CC[NH+](C)C)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000790801978 1308866773 /nfs/dbraw/zinc/86/67/73/1308866773.db2.gz WRQUPCLFTRVWBX-UHFFFAOYSA-N 1 0 347.390 3.311 20 5 EGBDRO Cc1nnc([C@H]2CC[N@@H+](Cc3ccc(C(C)C)c([N+](=O)[O-])c3)C2)[nH]1 ZINC000895007339 1309154637 /nfs/dbraw/zinc/15/46/37/1309154637.db2.gz CAFJEXWHHLNIQH-AWEZNQCLSA-N 1 0 329.404 3.134 20 5 EGBDRO C[C@H](CCNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)[NH+](C)C ZINC000895298519 1309274436 /nfs/dbraw/zinc/27/44/36/1309274436.db2.gz YRLYHQIUVIJWBV-GFCCVEGCSA-N 1 0 334.445 3.148 20 5 EGBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000896341051 1309811192 /nfs/dbraw/zinc/81/11/92/1309811192.db2.gz ROCGTAZHGPGULR-HNNXBMFYSA-N 1 0 333.432 3.206 20 5 EGBDRO Cc1nc(CC2CC[NH+](C/C=C\c3ccccc3[N+](=O)[O-])CC2)no1 ZINC000896551663 1309912364 /nfs/dbraw/zinc/91/23/64/1309912364.db2.gz OJLHMVVQNIBBFA-XQRVVYSFSA-N 1 0 342.399 3.254 20 5 EGBDRO CN(CCC[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1Br ZINC000798403807 1310355771 /nfs/dbraw/zinc/35/57/71/1310355771.db2.gz HIBFHFKQFDROGD-UHFFFAOYSA-N 1 0 342.237 3.279 20 5 EGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(CCO)cc1 ZINC000898170498 1310611529 /nfs/dbraw/zinc/61/15/29/1310611529.db2.gz HKSGLVSYAJIYLN-HNNXBMFYSA-N 1 0 328.412 3.241 20 5 EGBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)OCCC[NH+]1CCCCC1 ZINC000800191442 1310697297 /nfs/dbraw/zinc/69/72/97/1310697297.db2.gz WPMKXSQPOUKVBT-UHFFFAOYSA-N 1 0 345.399 3.038 20 5 EGBDRO CCOC(=O)CC[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000801523563 1310952328 /nfs/dbraw/zinc/95/23/28/1310952328.db2.gz DJGKGFMBTDFWPZ-CYBMUJFWSA-N 1 0 338.379 3.289 20 5 EGBDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000801519036 1310952364 /nfs/dbraw/zinc/95/23/64/1310952364.db2.gz CLPNVCMHZRXJAF-QGZVFWFLSA-N 1 0 343.402 3.440 20 5 EGBDRO C[C@@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)c1ccsc1 ZINC000801569129 1310966611 /nfs/dbraw/zinc/96/66/11/1310966611.db2.gz DEAFQMULXXGCCP-SNVBAGLBSA-N 1 0 337.376 3.475 20 5 EGBDRO Cc1ccncc1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000824910777 1320294911 /nfs/dbraw/zinc/29/49/11/1320294911.db2.gz ZSTIRPVWCLGLSP-UHFFFAOYSA-N 1 0 326.400 3.057 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)cc1Cl ZINC000839615608 1320945247 /nfs/dbraw/zinc/94/52/47/1320945247.db2.gz KOGQOVZDOUWQBJ-GFCCVEGCSA-N 1 0 339.823 3.159 20 5 EGBDRO Cc1c(NC(=O)N2CC[N@@H+](C)C[C@@H]2CC(C)C)cccc1[N+](=O)[O-] ZINC000929221609 1328541528 /nfs/dbraw/zinc/54/15/28/1328541528.db2.gz SKJWEGZSVQELCC-AWEZNQCLSA-N 1 0 334.420 3.097 20 5 EGBDRO C[C@H]1CCC[N@H+](CCCCNc2c([N+](=O)[O-])cccc2[N+](=O)[O-])C1 ZINC000804351502 1317222212 /nfs/dbraw/zinc/22/22/12/1317222212.db2.gz APNWPZOYCDMOFH-ZDUSSCGKSA-N 1 0 336.392 3.427 20 5 EGBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2ccc(N)cc2[N+](=O)[O-])C1 ZINC000804372424 1317224652 /nfs/dbraw/zinc/22/46/52/1317224652.db2.gz LWZCRXUHNHYINE-CJNGLKHVSA-N 1 0 326.400 3.424 20 5 EGBDRO [NH3+]CCSCc1cc(-c2ccc(N3CCCC3)c([N+](=O)[O-])c2)no1 ZINC000901398196 1317417786 /nfs/dbraw/zinc/41/77/86/1317417786.db2.gz LXSCVKAMZJOEDA-UHFFFAOYSA-N 1 0 348.428 3.042 20 5 EGBDRO N[C@@H]1c2ccccc2C[C@H]1[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000902438879 1317578917 /nfs/dbraw/zinc/57/89/17/1317578917.db2.gz OABAQVYIAZSIDE-QWFCFKBJSA-N 1 0 337.423 3.130 20 5 EGBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C1(NC(=O)OC(C)(C)C)CC1 ZINC000903090532 1317651073 /nfs/dbraw/zinc/65/10/73/1317651073.db2.gz COUJWWQQTGOGLZ-ZDUSSCGKSA-N 1 0 349.431 3.173 20 5 EGBDRO Cc1ccc2cc(CN(CC[NH3+])c3ccc([N+](=O)[O-])cc3)ccc2n1 ZINC000809734898 1317883069 /nfs/dbraw/zinc/88/30/69/1317883069.db2.gz NOHIYCWUTZJTDV-UHFFFAOYSA-N 1 0 336.395 3.417 20 5 EGBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000809913888 1317916665 /nfs/dbraw/zinc/91/66/65/1317916665.db2.gz VTXVDUWTYLQGIA-LLVKDONJSA-N 1 0 342.827 3.490 20 5 EGBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C[C@H]1C ZINC000809913627 1317917139 /nfs/dbraw/zinc/91/71/39/1317917139.db2.gz PVEBWRUJYGBLGT-GHMZBOCLSA-N 1 0 340.811 3.195 20 5 EGBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000809921620 1317918155 /nfs/dbraw/zinc/91/81/55/1317918155.db2.gz HWCFQUMAZGKOTF-NSHDSACASA-N 1 0 340.811 3.100 20 5 EGBDRO COC(=O)C[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C1CC1 ZINC000809975661 1317929028 /nfs/dbraw/zinc/92/90/28/1317929028.db2.gz RCOWDIMFDMZUEK-GFCCVEGCSA-N 1 0 347.198 3.333 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000929912678 1328737671 /nfs/dbraw/zinc/73/76/71/1328737671.db2.gz DSTWNRQIEMFPSC-UHFFFAOYSA-N 1 0 349.456 3.017 20 5 EGBDRO CC(=O)N(C)c1ccc(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000858496759 1328779794 /nfs/dbraw/zinc/77/97/94/1328779794.db2.gz BYNXDDRLCFYWQP-GFCCVEGCSA-N 1 0 342.399 3.011 20 5 EGBDRO Cc1ccc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccccc3[N+](=O)[O-])C2)s1 ZINC001021783791 1318680844 /nfs/dbraw/zinc/68/08/44/1318680844.db2.gz YPWJKWVOWSARPI-OKILXGFUSA-N 1 0 345.424 3.015 20 5 EGBDRO Cc1cccc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3csc([N+](=O)[O-])c3)C2)c1 ZINC001021799683 1318689398 /nfs/dbraw/zinc/68/93/98/1318689398.db2.gz UYESKMOHHMMXHP-GASCZTMLSA-N 1 0 345.424 3.015 20 5 EGBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)C1CCCCCC1 ZINC001021890135 1318721754 /nfs/dbraw/zinc/72/17/54/1318721754.db2.gz QSGUHQNOOZCPKL-CALCHBBNSA-N 1 0 345.443 3.302 20 5 EGBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)C1=CCCCCC1 ZINC001022006780 1318767163 /nfs/dbraw/zinc/76/71/63/1318767163.db2.gz MTTSFIDIJCHIBU-CALCHBBNSA-N 1 0 343.427 3.222 20 5 EGBDRO Cc1ncc2c(n1)CCC[C@H]2[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815581445 1319021266 /nfs/dbraw/zinc/02/12/66/1319021266.db2.gz GLAATWXILBANKN-ZUZCIYMTSA-N 1 0 327.388 3.004 20 5 EGBDRO C[C@@H]([NH2+]C[C@@H]1COC2(CCCCCC2)O1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815609216 1319026959 /nfs/dbraw/zinc/02/69/59/1319026959.db2.gz AKJBOBKNMRTAQC-UKRRQHHQSA-N 1 0 349.431 3.294 20 5 EGBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C[C@@H](O)Cc1ccccc1 ZINC000816624726 1319197220 /nfs/dbraw/zinc/19/72/20/1319197220.db2.gz FVHOMVDXFPEELI-HNNXBMFYSA-N 1 0 334.803 3.284 20 5 EGBDRO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Br)C1CCOCC1 ZINC000930225579 1328815580 /nfs/dbraw/zinc/81/55/80/1328815580.db2.gz IEOGCCLYULAMJM-SNVBAGLBSA-N 1 0 343.221 3.262 20 5 EGBDRO C[C@H](CNC(=S)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](C)C1 ZINC000916000829 1319582189 /nfs/dbraw/zinc/58/21/89/1319582189.db2.gz DWSHBYSWQPMYCJ-QWHCGFSZSA-N 1 0 336.461 3.002 20 5 EGBDRO Cc1ccc(CSCC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000818941964 1319583297 /nfs/dbraw/zinc/58/32/97/1319583297.db2.gz UXSLSPDRESNLHV-SFHVURJKSA-N 1 0 346.452 3.460 20 5 EGBDRO CC(C)Oc1ccc(CC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000818955431 1319589481 /nfs/dbraw/zinc/58/94/81/1319589481.db2.gz VTNAVUNVQJUHJL-IBGZPJMESA-N 1 0 344.411 3.248 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCCc2c[nH]c3ccccc23)c1 ZINC000819035332 1319618926 /nfs/dbraw/zinc/61/89/26/1319618926.db2.gz VKOSWEWDUVJPBC-LJQANCHMSA-N 1 0 339.395 3.332 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@H]2CCc3ccccc3C2)cc1 ZINC000819080414 1319630087 /nfs/dbraw/zinc/63/00/87/1319630087.db2.gz FVYOKQYWWYEVFH-IFXJQAMLSA-N 1 0 326.396 3.023 20 5 EGBDRO CCC(CC)c1cc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)on1 ZINC000819107094 1319636344 /nfs/dbraw/zinc/63/63/44/1319636344.db2.gz UIDZQDUYCFQASF-QGZVFWFLSA-N 1 0 333.388 3.310 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@H]2SCCc3ccccc32)cc1 ZINC000819132654 1319643411 /nfs/dbraw/zinc/64/34/11/1319643411.db2.gz GTGAMWSBFJGPPB-ZWKOTPCHSA-N 1 0 344.436 3.248 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H]2CCCOc3cc(F)ccc32)c1 ZINC000819210777 1319669098 /nfs/dbraw/zinc/66/90/98/1319669098.db2.gz KSVVGPVZWWSMGO-IRXDYDNUSA-N 1 0 346.358 3.271 20 5 EGBDRO Cc1cccc(OCCC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)c1C ZINC000819271293 1319685930 /nfs/dbraw/zinc/68/59/30/1319685930.db2.gz PYXXYLWQGCWXBO-GOSISDBHSA-N 1 0 344.411 3.304 20 5 EGBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000917075252 1319750645 /nfs/dbraw/zinc/75/06/45/1319750645.db2.gz JTJKORCYWRLBRU-BETUJISGSA-N 1 0 336.392 3.283 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000824776927 1320285011 /nfs/dbraw/zinc/28/50/11/1320285011.db2.gz BHBABMKICWCNRE-INIZCTEOSA-N 1 0 345.443 3.063 20 5 EGBDRO C[S@](=O)[C@H]1CCC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000826910437 1320413505 /nfs/dbraw/zinc/41/35/05/1320413505.db2.gz HWARGNQGEQXIOE-OABGYEMISA-N 1 0 330.837 3.028 20 5 EGBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]C[C@H](CO)CC1CC1 ZINC000827359095 1320448009 /nfs/dbraw/zinc/44/80/09/1320448009.db2.gz ILVDMUZVBZNUAC-SNVBAGLBSA-N 1 0 333.215 3.400 20 5 EGBDRO O=C(OCCC[NH+]1CCCC1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000837957366 1320713419 /nfs/dbraw/zinc/71/34/19/1320713419.db2.gz AHWFILITEYMBSZ-UHFFFAOYSA-N 1 0 346.305 3.256 20 5 EGBDRO C[C@H](CCCc1cccnc1)[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000839143604 1320879475 /nfs/dbraw/zinc/87/94/75/1320879475.db2.gz QYKKCKLYXQTFCM-CYBMUJFWSA-N 1 0 344.371 3.399 20 5 EGBDRO C[C@@H]([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000839195712 1320892009 /nfs/dbraw/zinc/89/20/09/1320892009.db2.gz FSEIDISYMYZIMB-KOXOONSLSA-N 1 0 337.807 3.353 20 5 EGBDRO CC(C)C[C@](C)(C[NH3+])NC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000841233404 1321237113 /nfs/dbraw/zinc/23/71/13/1321237113.db2.gz SRFXXYSKBDNCQC-CQSZACIVSA-N 1 0 328.800 3.133 20 5 EGBDRO Cc1cc(Cc2noc(C[C@@H](C)[C@H]3CCC[NH2+]C3)n2)ccc1[N+](=O)[O-] ZINC000843192376 1321484815 /nfs/dbraw/zinc/48/48/15/1321484815.db2.gz TURHYNXAHDGYTA-DOMZBBRYSA-N 1 0 344.415 3.055 20 5 EGBDRO Cc1c(-c2noc(C[C@@H](C)[C@@H]3CCC[NH2+]C3)n2)cccc1[N+](=O)[O-] ZINC000843238561 1321494614 /nfs/dbraw/zinc/49/46/14/1321494614.db2.gz UYBVSQBTRSLDAC-DGCLKSJQSA-N 1 0 330.388 3.131 20 5 EGBDRO Cc1cc(-c2noc(C[C@H](C)[C@@H]3CCC[NH2+]C3)n2)cc([N+](=O)[O-])c1 ZINC000843239112 1321495290 /nfs/dbraw/zinc/49/52/90/1321495290.db2.gz DHEHDEHKXXQHLP-QWHCGFSZSA-N 1 0 330.388 3.131 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCC[C@@H]2CC2(Cl)Cl)c1 ZINC000844276342 1321584526 /nfs/dbraw/zinc/58/45/26/1321584526.db2.gz FYNGVYVQARUOLT-DGCLKSJQSA-N 1 0 333.215 3.192 20 5 EGBDRO CC(C)(C)[N@@H+]1CC[C@@H]1COC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000845737645 1321738996 /nfs/dbraw/zinc/73/89/96/1321738996.db2.gz IEOPTOYZIZYJBL-GFCCVEGCSA-N 1 0 331.372 3.106 20 5 EGBDRO C[C@H](COC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)[NH+]1CCCCC1 ZINC000847963794 1321917423 /nfs/dbraw/zinc/91/74/23/1321917423.db2.gz SVCPFYXFYIRWAJ-OLZOCXBDSA-N 1 0 338.379 3.255 20 5 EGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]Cc1cccc2c1OCCO2 ZINC000848534517 1321970901 /nfs/dbraw/zinc/97/09/01/1321970901.db2.gz QTWXTAVCYOBTNP-HNNXBMFYSA-N 1 0 326.352 3.143 20 5 EGBDRO CC[C@H](C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000848552684 1321975373 /nfs/dbraw/zinc/97/53/73/1321975373.db2.gz GBSUDRDVCHFRRR-DOMZBBRYSA-N 1 0 349.431 3.475 20 5 EGBDRO [NH2+]=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)NCC1CCC1 ZINC000849109284 1322081318 /nfs/dbraw/zinc/08/13/18/1322081318.db2.gz GUMQAVDNCJSAPH-UHFFFAOYSA-N 1 0 330.310 3.028 20 5 EGBDRO CC1CC[NH+](CCCCNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000920290171 1322159337 /nfs/dbraw/zinc/15/93/37/1322159337.db2.gz QMBAFCPOOBSDPW-RMKNXTFCSA-N 1 0 345.443 3.236 20 5 EGBDRO CC[N@H+](C)Cc1cccc(CNc2ccc([N+](=O)[O-])c3nonc32)c1 ZINC000920337814 1322165443 /nfs/dbraw/zinc/16/54/43/1322165443.db2.gz QHKWHRMFDJQMNR-UHFFFAOYSA-N 1 0 341.371 3.195 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H](O)c1cccc(F)c1 ZINC000850430290 1322247541 /nfs/dbraw/zinc/24/75/41/1322247541.db2.gz YGAPLCORXOQFDP-MEDUHNTESA-N 1 0 334.347 3.127 20 5 EGBDRO O=[N+]([O-])c1cc(C(F)F)ccc1N1CCN(c2cc[nH+]cc2)CC1 ZINC000853094528 1323280511 /nfs/dbraw/zinc/28/05/11/1323280511.db2.gz FDMTWXDMLUJWPH-UHFFFAOYSA-N 1 0 334.326 3.254 20 5 EGBDRO C[C@@H]([NH2+]Cc1cnccc1C(F)(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000853241268 1325070861 /nfs/dbraw/zinc/07/08/61/1325070861.db2.gz QKBRHSWJCVHJFI-SECBINFHSA-N 1 0 340.305 3.442 20 5 EGBDRO CC(C)(C)C(=O)NC1CC2(C1)CC([NH2+]Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000965876660 1328069496 /nfs/dbraw/zinc/06/94/96/1328069496.db2.gz QHDYFJAZAYMJBP-UHFFFAOYSA-N 1 0 345.443 3.158 20 5 EGBDRO CC(C)C[C@@H](CCO)C[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866275721 1330089599 /nfs/dbraw/zinc/08/95/99/1330089599.db2.gz FQBHWTQIIXGBHU-ZIAGYGMSSA-N 1 0 326.412 3.299 20 5 EGBDRO COCc1nc(C[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])cs1 ZINC000866360843 1330102436 /nfs/dbraw/zinc/10/24/36/1330102436.db2.gz GVTHNHVZTDUPSB-JTQLQIEISA-N 1 0 339.392 3.058 20 5 EGBDRO CC(C)c1ccc(CNC(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)cc1 ZINC000867947862 1330231629 /nfs/dbraw/zinc/23/16/29/1330231629.db2.gz VSWVBOTXYJOQMJ-IBGZPJMESA-N 1 0 341.411 3.209 20 5 EGBDRO CC1(C)CC(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)C1 ZINC001086077301 1358989257 /nfs/dbraw/zinc/98/92/57/1358989257.db2.gz RUMZFBGVMQLXJW-FZNQNYSPSA-N 1 0 345.443 3.015 20 5 EGBDRO Cc1c[nH+]c2ccccc2c1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC001323870225 1387483742 /nfs/dbraw/zinc/48/37/42/1387483742.db2.gz DQOHEMPHWNEBSG-UHFFFAOYSA-N 1 0 349.394 3.173 20 5 EGBDRO O=C(CCCC1CC1)N1CCCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001196862294 1368701950 /nfs/dbraw/zinc/70/19/50/1368701950.db2.gz BAFWFYPVDZSRAV-UHFFFAOYSA-N 1 0 345.443 3.209 20 5 EGBDRO CC/C=C(/C)C(=O)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001199577039 1369239675 /nfs/dbraw/zinc/23/96/75/1369239675.db2.gz YVUGWJXYKGPOTR-CPSFFCFKSA-N 1 0 331.416 3.032 20 5 EGBDRO C[NH+](C)[C@@H]1CCOc2c(Nc3cc(O)cc([N+](=O)[O-])c3)cccc21 ZINC001201229239 1369500006 /nfs/dbraw/zinc/50/00/06/1369500006.db2.gz ISKBZZDIYZKDCL-MRXNPFEDSA-N 1 0 329.356 3.429 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCCC[C@H]2[NH+](C)C)cc1Cl ZINC001325684927 1388030327 /nfs/dbraw/zinc/03/03/27/1388030327.db2.gz WZDWWKRMSPAGQP-ZIAGYGMSSA-N 1 0 339.823 3.159 20 5 EGBDRO [NH3+][C@@H]1CN(Cc2c3ccccc3c3cc4ccccc4oc2-3)C[C@H]1O ZINC001205358656 1370731236 /nfs/dbraw/zinc/73/12/36/1370731236.db2.gz YSEDDZBHTHZSTD-RTBURBONSA-N 1 0 332.403 3.195 20 5 EGBDRO C[C@H](CC(=O)OC(C)(C)C)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC001116584405 1370941268 /nfs/dbraw/zinc/94/12/68/1370941268.db2.gz KVDCHDVEOPHUCT-SNVBAGLBSA-N 1 0 328.796 3.458 20 5 EGBDRO Cc1cc(NC(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)cc(C)n1 ZINC001117937815 1371109989 /nfs/dbraw/zinc/10/99/89/1371109989.db2.gz IVOLVSQXBQTKGS-UHFFFAOYSA-N 1 0 329.356 3.068 20 5 EGBDRO O=[N+]([O-])c1ccc2c(cnn2C[N@@H+]2CCC[C@H]([C@H]3CCCCO3)C2)c1 ZINC001118594874 1371203702 /nfs/dbraw/zinc/20/37/02/1371203702.db2.gz DUYDEWHLWLNPAQ-KBXCAEBGSA-N 1 0 344.415 3.183 20 5 EGBDRO C[C@@H]1CC[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)[C@H](n2cncn2)C1 ZINC001326284596 1388142069 /nfs/dbraw/zinc/14/20/69/1388142069.db2.gz ZVIDTPAIZKFADZ-XFBWCDHKSA-N 1 0 349.822 3.359 20 5 EGBDRO CC(C)CC(=O)NC1CC2(C1)CC([NH2+]Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001120540127 1371603375 /nfs/dbraw/zinc/60/33/75/1371603375.db2.gz OYGUPFHMCGYJKA-UHFFFAOYSA-N 1 0 345.443 3.158 20 5 EGBDRO O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)C12CC(C1)C[NH2+]2 ZINC001121959664 1372134361 /nfs/dbraw/zinc/13/43/61/1372134361.db2.gz LEQAQGRUMASOTH-UHFFFAOYSA-N 1 0 339.351 3.078 20 5 EGBDRO C[C@@H]1C[NH2+][C@@H](C)[C@H](C)N1C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC001122263419 1372216358 /nfs/dbraw/zinc/21/63/58/1372216358.db2.gz JHMVDEYGTWFZIZ-VWYCJHECSA-N 1 0 333.413 3.020 20 5 EGBDRO C[NH+](C)CCOc1cc(F)ccc1Nc1ccc(N)c([N+](=O)[O-])c1 ZINC001209938308 1372236888 /nfs/dbraw/zinc/23/68/88/1372236888.db2.gz JWLSGGINHAEWKH-UHFFFAOYSA-N 1 0 334.351 3.000 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC3(CCC[C@H]3C[NH3+])CC2)c1C ZINC001122464155 1372252365 /nfs/dbraw/zinc/25/23/65/1372252365.db2.gz RPEBFXOIAZJLPU-HNNXBMFYSA-N 1 0 345.443 3.193 20 5 EGBDRO Cc1cc(NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)cc([N+](=O)[O-])c1 ZINC001124126217 1372677566 /nfs/dbraw/zinc/67/75/66/1372677566.db2.gz HBOQCUIATWFTTJ-OAHLLOKOSA-N 1 0 349.456 3.059 20 5 EGBDRO C[NH+]1CCC(n2cc(Nc3c(F)ccc([N+](=O)[O-])c3F)cn2)CC1 ZINC001215289133 1373195470 /nfs/dbraw/zinc/19/54/70/1373195470.db2.gz DUHPMHFSKXHYFS-UHFFFAOYSA-N 1 0 337.330 3.080 20 5 EGBDRO C[C@@H]1C[NH2+]CCC[C@@H]1Oc1cc(Br)ccc1[N+](=O)[O-] ZINC001217986336 1373527255 /nfs/dbraw/zinc/52/72/55/1373527255.db2.gz LGOJBPRFXXNIST-SKDRFNHKSA-N 1 0 329.194 3.124 20 5 EGBDRO C[C@@H](Oc1cc(Br)ccc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC001218002188 1373531427 /nfs/dbraw/zinc/53/14/27/1373531427.db2.gz BZJOIAHQFHGXFI-SECBINFHSA-N 1 0 329.194 3.124 20 5 EGBDRO C[C@H](Oc1cc([N+](=O)[O-])ccc1Br)C1CC[NH2+]CC1 ZINC001218001992 1373531675 /nfs/dbraw/zinc/53/16/75/1373531675.db2.gz KBQKJOZWGZDRGA-VIFPVBQESA-N 1 0 329.194 3.124 20 5 EGBDRO C[C@H]1CC[NH2+]CC[C@H]1Oc1c(F)cc(Br)cc1[N+](=O)[O-] ZINC001218026497 1373541286 /nfs/dbraw/zinc/54/12/86/1373541286.db2.gz ZJDRTLOAKOXCGQ-QPUJVOFHSA-N 1 0 347.184 3.263 20 5 EGBDRO Cc1cc(Br)cc([N+](=O)[O-])c1O[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001218054500 1373548716 /nfs/dbraw/zinc/54/87/16/1373548716.db2.gz BBELNXRQFZAFCF-GXSJLCMTSA-N 1 0 329.194 3.185 20 5 EGBDRO O=[N+]([O-])c1cc(F)c(Br)c(O[C@H]2CC[C@@]23CC[NH2+]C3)c1 ZINC001218126339 1373565497 /nfs/dbraw/zinc/56/54/97/1373565497.db2.gz ZMOFVOSEZHCBII-AAEUAGOBSA-N 1 0 345.168 3.017 20 5 EGBDRO CC1(C)C[NH2+]CC[C@H]1Oc1cc(N2CCCCC2)ccc1[N+](=O)[O-] ZINC001218317666 1373594282 /nfs/dbraw/zinc/59/42/82/1373594282.db2.gz QCZXZJPDOJTOKY-QGZVFWFLSA-N 1 0 333.432 3.352 20 5 EGBDRO CC(C)(C)OC(=O)c1ccc([N+](=O)[O-])c(O[C@H]2C[NH2+]CCC23CC3)c1 ZINC001218404400 1373608210 /nfs/dbraw/zinc/60/82/10/1373608210.db2.gz MXFUKNCDPXXKLL-HNNXBMFYSA-N 1 0 348.399 3.071 20 5 EGBDRO O=[N+]([O-])c1cc([N+](=O)[O-])c(O[C@@H]2C[NH2+]CCC23CC3)c2ccccc21 ZINC001218407392 1373609613 /nfs/dbraw/zinc/60/96/13/1373609613.db2.gz VODQGVVVQGUBMH-OAHLLOKOSA-N 1 0 343.339 3.177 20 5 EGBDRO C[NH+](C)Cc1ccc(O[C@H]2CCN(c3ccccc3[N+](=O)[O-])C2)cc1 ZINC001225333847 1375105596 /nfs/dbraw/zinc/10/55/96/1375105596.db2.gz QNDIJEXMMQOKKR-KRWDZBQOSA-N 1 0 341.411 3.314 20 5 EGBDRO O=[N+]([O-])c1ncccc1O[C@H]1[C@@H]2CC[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC001225630054 1375135132 /nfs/dbraw/zinc/13/51/32/1375135132.db2.gz VICHPLNKSAEJTQ-VQFNDLOPSA-N 1 0 339.395 3.279 20 5 EGBDRO O=[N+]([O-])c1ccc(Cl)nc1OC1CCN(c2cc[nH+]cc2)CC1 ZINC001226364462 1375246934 /nfs/dbraw/zinc/24/69/34/1375246934.db2.gz MHHIAKDWDWKXGV-UHFFFAOYSA-N 1 0 334.763 3.086 20 5 EGBDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2Oc1nc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001227246013 1375411763 /nfs/dbraw/zinc/41/17/63/1375411763.db2.gz DUPXFHVGGIFLHI-DDFAGTSDSA-N 1 0 345.321 3.118 20 5 EGBDRO COc1cccc([N+](=O)[O-])c1O[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001227694770 1375462586 /nfs/dbraw/zinc/46/25/86/1375462586.db2.gz AHNBDDXCFMVYMC-OAHLLOKOSA-N 1 0 328.368 3.257 20 5 EGBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Oc1cncc([N+](=O)[O-])c1 ZINC001227990028 1375498958 /nfs/dbraw/zinc/49/89/58/1375498958.db2.gz DNXYYJJELAEPNC-RDTXWAMCSA-N 1 0 327.384 3.279 20 5 EGBDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1Oc1ncncc1[N+](=O)[O-] ZINC001228654932 1375628639 /nfs/dbraw/zinc/62/86/39/1375628639.db2.gz NYVOVUZLHHUHQZ-MRXNPFEDSA-N 1 0 342.399 3.064 20 5 EGBDRO Cc1cc2[nH]c(OC3CC[NH+](C(C)(C)C)CC3)nc2cc1[N+](=O)[O-] ZINC001228676249 1375637149 /nfs/dbraw/zinc/63/71/49/1375637149.db2.gz XJMKMIWVIJPDSS-UHFFFAOYSA-N 1 0 332.404 3.421 20 5 EGBDRO CCC1(C(=O)NC2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)CCC1 ZINC001228771019 1375671067 /nfs/dbraw/zinc/67/10/67/1375671067.db2.gz ZLRWGRIEZUXLKH-UHFFFAOYSA-N 1 0 345.443 3.256 20 5 EGBDRO CCCc1ccc(C(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)cc1 ZINC001133089966 1375767993 /nfs/dbraw/zinc/76/79/93/1375767993.db2.gz YSEJAURMELPEQV-UHFFFAOYSA-N 1 0 347.440 3.128 20 5 EGBDRO CC(=O)c1cccc(O[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC001229132300 1375771496 /nfs/dbraw/zinc/77/14/96/1375771496.db2.gz RMCTZKGTKZLWAN-MRXNPFEDSA-N 1 0 340.379 3.451 20 5 EGBDRO CCC(=O)c1cc([N+](=O)[O-])ccc1O[C@@H]1[C@@H]2CCC[C@H]1C[N@@H+](C)C2 ZINC001229179616 1375782658 /nfs/dbraw/zinc/78/26/58/1375782658.db2.gz NRJAMFFLFKJGHL-IVWMJMPLSA-N 1 0 332.400 3.297 20 5 EGBDRO O=[N+]([O-])c1ccc2oc(O[C@H]3CC[N@H+](Cc4ccccc4)C3)nc2c1 ZINC001229484856 1375844116 /nfs/dbraw/zinc/84/41/16/1375844116.db2.gz SOXPSYNBHQEYOG-HNNXBMFYSA-N 1 0 339.351 3.389 20 5 EGBDRO CC1(CCC(=O)NC2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC001229878338 1375910263 /nfs/dbraw/zinc/91/02/63/1375910263.db2.gz DCJSLFIHFLSYDP-UHFFFAOYSA-N 1 0 345.443 3.256 20 5 EGBDRO Cc1cc(Br)cc([N+](=O)[O-])c1O[C@H]1C[NH+]2CCC1CC2 ZINC001230940055 1376184831 /nfs/dbraw/zinc/18/48/31/1376184831.db2.gz WTWWVSQJIVZJET-ZDUSSCGKSA-N 1 0 341.205 3.139 20 5 EGBDRO C[C@H](Oc1ccc2nccn2c1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001233747684 1376710388 /nfs/dbraw/zinc/71/03/88/1376710388.db2.gz BIYAFLSPRKOHLL-JTQLQIEISA-N 1 0 327.296 3.111 20 5 EGBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(C(F)F)cc1 ZINC001135384542 1377066802 /nfs/dbraw/zinc/06/68/02/1377066802.db2.gz GCAGYJMCXBTOHZ-UHFFFAOYSA-N 1 0 349.337 3.052 20 5 EGBDRO OCCCN1CC[NH+](Cc2c3ccccc3cc3ccccc32)CC1 ZINC001141722716 1378365942 /nfs/dbraw/zinc/36/59/42/1378365942.db2.gz GGFHAEKPYADORW-UHFFFAOYSA-N 1 0 334.463 3.493 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(-n2c3ccccc3nc2[C@@H](C)[NH3+])nc1Cl ZINC001155247315 1380428852 /nfs/dbraw/zinc/42/88/52/1380428852.db2.gz GRSUFYMZBWBYAV-SECBINFHSA-N 1 0 331.763 3.310 20 5 EGBDRO O=[N+]([O-])c1ccc2ccc(N[C@H]3C[NH2+]Cc4ccsc43)nc2c1 ZINC001155561699 1380468991 /nfs/dbraw/zinc/46/89/91/1380468991.db2.gz OEFQSCDNCDGBHB-AWEZNQCLSA-N 1 0 326.381 3.461 20 5 EGBDRO COc1cccc(N(c2ncc(C)cc2[N+](=O)[O-])C2CC[NH2+]CC2)c1 ZINC001155605523 1380472565 /nfs/dbraw/zinc/47/25/65/1380472565.db2.gz ZEKDIKHRWJRPHR-UHFFFAOYSA-N 1 0 342.399 3.197 20 5 EGBDRO CC(C)[N@H+](C)[C@@H]1CCN(C(=O)c2ccnc3c2ccc2cccnc23)C1 ZINC001155812136 1380494331 /nfs/dbraw/zinc/49/43/31/1380494331.db2.gz WLANADUPPLYJKY-MRXNPFEDSA-N 1 0 348.450 3.338 20 5 EGBDRO COc1nc(-n2c(C)c(C)c3cc(C[NH3+])ccc32)ccc1[N+](=O)[O-] ZINC001155903395 1380504106 /nfs/dbraw/zinc/50/41/06/1380504106.db2.gz VNGGYRIEHKZAED-UHFFFAOYSA-N 1 0 326.356 3.018 20 5 EGBDRO C[N@H+](Cc1ccc(F)cc1)C1CCN(c2cc([N+](=O)[O-])ccn2)CC1 ZINC001157066847 1380766541 /nfs/dbraw/zinc/76/65/41/1380766541.db2.gz OSJACQNBPSKGBN-UHFFFAOYSA-N 1 0 344.390 3.230 20 5 EGBDRO C[C@H]1[C@H]([NH3+])CCCN1c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)nn1 ZINC001157743680 1381018920 /nfs/dbraw/zinc/01/89/20/1381018920.db2.gz DIZZJCUFLIQFGB-GXFFZTMASA-N 1 0 347.806 3.021 20 5 EGBDRO [NH3+]CCN(c1cccnc1)c1cc2ccc(Cl)nc2cc1[N+](=O)[O-] ZINC001158006885 1381101666 /nfs/dbraw/zinc/10/16/66/1381101666.db2.gz IDPCWOUPFQLDFK-UHFFFAOYSA-N 1 0 343.774 3.288 20 5 EGBDRO CC(C)N(c1cc2ccc(Cl)nc2cc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC001158035029 1381108495 /nfs/dbraw/zinc/10/84/95/1381108495.db2.gz NTPLJIZUZYCLDA-GFCCVEGCSA-N 1 0 334.807 3.373 20 5 EGBDRO CCOc1nc(N[C@@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)ccc1[N+](=O)[O-] ZINC001158267272 1381178431 /nfs/dbraw/zinc/17/84/31/1381178431.db2.gz WATADDZEQUTKSR-SJKOYZFVSA-N 1 0 336.436 3.344 20 5 EGBDRO COc1nc(N2CCC[C@@H]([NH3+])c3cc(C)ccc32)ccc1[N+](=O)[O-] ZINC001158729704 1381372298 /nfs/dbraw/zinc/37/22/98/1381372298.db2.gz KMAUYVJJLYMPDO-CYBMUJFWSA-N 1 0 328.372 3.239 20 5 EGBDRO O=C(CC1CC1)NCCC1=CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001159027310 1381519550 /nfs/dbraw/zinc/51/95/50/1381519550.db2.gz BRMWUWIMUYTVOC-UHFFFAOYSA-N 1 0 343.427 3.033 20 5 EGBDRO CC1CC[NH+](CCc2nnc(/C=C/c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC001328380007 1388733862 /nfs/dbraw/zinc/73/38/62/1388733862.db2.gz KSXQALRWHASWLB-QPJJXVBHSA-N 1 0 342.399 3.423 20 5 EGBDRO O=[N+]([O-])c1ccc(F)c(Nc2ccc(OCC3CC[NH2+]CC3)nc2)c1 ZINC001159344320 1381771246 /nfs/dbraw/zinc/77/12/46/1381771246.db2.gz UEJGHFZPWSZJRR-UHFFFAOYSA-N 1 0 346.362 3.251 20 5 EGBDRO Cc1ccc(Nc2ccc(OCC3CC[NH2+]CC3)nc2)c([N+](=O)[O-])c1 ZINC001159344577 1381771290 /nfs/dbraw/zinc/77/12/90/1381771290.db2.gz URRXAXRGZQKQJO-UHFFFAOYSA-N 1 0 342.399 3.420 20 5 EGBDRO O=[N+]([O-])c1cc(F)ccc1Nc1ccc(N2CC[NH2+]CC2)c(F)c1 ZINC001159537474 1381820575 /nfs/dbraw/zinc/82/05/75/1381820575.db2.gz GFQNNLITFKVAOC-UHFFFAOYSA-N 1 0 334.326 3.026 20 5 EGBDRO [NH3+][C@H]1CCCN(c2ccccc2Nc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001159982888 1381958464 /nfs/dbraw/zinc/95/84/64/1381958464.db2.gz QBQJDSBDLFWVJU-ZDUSSCGKSA-N 1 0 330.363 3.405 20 5 EGBDRO COc1ncc(Nc2ccccc2C2=CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC001160023616 1381970883 /nfs/dbraw/zinc/97/08/83/1381970883.db2.gz ROOOCISRRKAMRW-UHFFFAOYSA-N 1 0 326.356 3.119 20 5 EGBDRO Cc1ccc(Nc2c(F)cccc2N2CC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC001160071142 1381989321 /nfs/dbraw/zinc/98/93/21/1381989321.db2.gz VBRCCTPHVGFRGZ-GFCCVEGCSA-N 1 0 330.363 3.323 20 5 EGBDRO O=[N+]([O-])/C=C/c1ccc(Nc2cccc(F)c2N2CC[NH2+]CC2)cc1 ZINC001160114752 1382000665 /nfs/dbraw/zinc/00/06/65/1382000665.db2.gz XPPXNQJLKAMOFV-DHZHZOJOSA-N 1 0 342.374 3.226 20 5 EGBDRO O=[N+]([O-])c1ccc(F)c(Nc2cc(F)ccc2O[C@@H]2CC[NH2+]C2)c1 ZINC001160141714 1382013747 /nfs/dbraw/zinc/01/37/47/1382013747.db2.gz RWZCPWDFFAZABK-GFCCVEGCSA-N 1 0 335.310 3.357 20 5 EGBDRO Cc1ncc([N+](=O)[O-])cc1Nc1c(F)cccc1OC1CC[NH2+]CC1 ZINC001160156380 1382018936 /nfs/dbraw/zinc/01/89/36/1382018936.db2.gz KKUHXLMXFCEZFM-UHFFFAOYSA-N 1 0 346.362 3.312 20 5 EGBDRO [NH3+]C[C@H]1COc2ccccc2N1c1nccc2ccc([N+](=O)[O-])cc21 ZINC001160200542 1382031326 /nfs/dbraw/zinc/03/13/26/1382031326.db2.gz NXFYLXJABKNIMA-AWEZNQCLSA-N 1 0 336.351 3.001 20 5 EGBDRO O=[N+]([O-])c1cc(O)cc(Nc2ccccc2O[C@@H]2CCC[NH2+]C2)c1 ZINC001160232460 1382042308 /nfs/dbraw/zinc/04/23/08/1382042308.db2.gz CBBXUQWRLFXXBG-OAHLLOKOSA-N 1 0 329.356 3.175 20 5 EGBDRO O=[N+]([O-])c1cccc(N[C@@H](c2cccc(F)c2)C2CC[NH2+]CC2)n1 ZINC001161820359 1382519684 /nfs/dbraw/zinc/51/96/84/1382519684.db2.gz KDWJFVNXYUQKCC-QGZVFWFLSA-N 1 0 330.363 3.282 20 5 EGBDRO Cc1oc(C)c(C(=O)NCCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1C ZINC001162103502 1382629917 /nfs/dbraw/zinc/62/99/17/1382629917.db2.gz GGFCLDGLOCGEMI-UHFFFAOYSA-N 1 0 345.399 3.023 20 5 EGBDRO COc1cc(N(CC2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)ncc1[N+](=O)[O-] ZINC001162186013 1382651637 /nfs/dbraw/zinc/65/16/37/1382651637.db2.gz DTJAQLJCRXJKPU-SHTZXODSSA-N 1 0 348.447 3.265 20 5 EGBDRO [NH3+][C@H]1Cc2ccccc2N(c2ncc(F)c3cc([N+](=O)[O-])ccc32)C1 ZINC001162845756 1382892977 /nfs/dbraw/zinc/89/29/77/1382892977.db2.gz UZBUXEUEUGPJRR-LBPRGKRZSA-N 1 0 338.342 3.304 20 5 EGBDRO O=[N+]([O-])c1ccc(Cl)c(NC[C@@H]2CCC3(CC[NH2+]CC3)CO2)c1 ZINC001162964978 1382930016 /nfs/dbraw/zinc/93/00/16/1382930016.db2.gz DMBCOMXHUTWEPK-ZDUSSCGKSA-N 1 0 339.823 3.209 20 5 EGBDRO Cc1c(N[C@H]2C[NH2+]Cc3ccsc32)ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001163230317 1383001362 /nfs/dbraw/zinc/00/13/62/1383001362.db2.gz VDRQGTBRUKNZJZ-NSHDSACASA-N 1 0 334.357 3.129 20 5 EGBDRO [NH3+]C[C@@H](Nc1nc(Cl)c(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC001163291974 1383014007 /nfs/dbraw/zinc/01/40/07/1383014007.db2.gz LRTAEMHBBFBJAM-SNVBAGLBSA-N 1 0 327.171 3.409 20 5 EGBDRO c1cnc2c(c1)cc(N[C@H]1CCO[C@@]3(CC[NH2+]C3)C1)c1cccnc12 ZINC001163328945 1383023684 /nfs/dbraw/zinc/02/36/84/1383023684.db2.gz UIMRCXSGQVNQPG-YWZLYKJASA-N 1 0 334.423 3.106 20 5 EGBDRO CC(C)[N@@H+]1CC[C@@H](Nc2cnc3cc([N+](=O)[O-])ccc3n2)[C@@H](C)C1 ZINC001163360510 1383030038 /nfs/dbraw/zinc/03/00/38/1383030038.db2.gz DORDKPXSOUYAPV-GXTWGEPZSA-N 1 0 329.404 3.069 20 5 EGBDRO CC(C)[N@@H+]1CC[C@H](Nc2ncnc3cc([N+](=O)[O-])ccc32)[C@@H](C)C1 ZINC001163362867 1383031925 /nfs/dbraw/zinc/03/19/25/1383031925.db2.gz OMVZFHVQDNQILP-WFASDCNBSA-N 1 0 329.404 3.069 20 5 EGBDRO COc1cc([N+](=O)[O-])c(NCc2cccc(C[NH+](C)C)c2)cc1F ZINC001163994698 1383144235 /nfs/dbraw/zinc/14/42/35/1383144235.db2.gz OVMKTDFJYFZJAY-UHFFFAOYSA-N 1 0 333.363 3.416 20 5 EGBDRO C[C@@H]1CC[C@@H](C[NH3+])N(c2nc3ccccc3c(Cl)c2[N+](=O)[O-])C1 ZINC001164069378 1383152684 /nfs/dbraw/zinc/15/26/84/1383152684.db2.gz JWXCSEQPBBEGLL-MNOVXSKESA-N 1 0 334.807 3.360 20 5 EGBDRO COc1ccc(CCCNc2cc3c(cc2[N+](=O)[O-])C[NH2+]C3)cc1 ZINC001164192351 1383164973 /nfs/dbraw/zinc/16/49/73/1383164973.db2.gz PSOURENINWKSAV-UHFFFAOYSA-N 1 0 327.384 3.251 20 5 EGBDRO CC1(C)CC(CC(=O)NCCC[NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001164483173 1383191517 /nfs/dbraw/zinc/19/15/17/1383191517.db2.gz FAUMZPCXGWNVQS-UHFFFAOYSA-N 1 0 333.432 3.017 20 5 EGBDRO C[NH+]1CCC(C2CCN(c3ncc([N+](=O)[O-])cc3Cl)CC2)CC1 ZINC001165066234 1383220886 /nfs/dbraw/zinc/22/08/86/1383220886.db2.gz VUHSHOMQONTIPQ-UHFFFAOYSA-N 1 0 338.839 3.201 20 5 EGBDRO C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1c1ncc(F)cc1[N+](=O)[O-] ZINC001165201991 1383247509 /nfs/dbraw/zinc/24/75/09/1383247509.db2.gz QBGNOGPJLUWGFQ-KBPBESRZSA-N 1 0 344.390 3.228 20 5 EGBDRO [NH3+]C1CC2(C1)CCN(c1ccc([N+](=O)[O-])c(-c3ccccc3)n1)CC2 ZINC001165245349 1383257128 /nfs/dbraw/zinc/25/71/28/1383257128.db2.gz HEVHKTXYEDKBLF-UHFFFAOYSA-N 1 0 338.411 3.365 20 5 EGBDRO O=[N+]([O-])c1c(Cl)cc(Cl)nc1N1CCCCC12CC[NH2+]CC2 ZINC001165334738 1383276253 /nfs/dbraw/zinc/27/62/53/1383276253.db2.gz KHMOLGMQHZZMBH-UHFFFAOYSA-N 1 0 345.230 3.409 20 5 EGBDRO COc1cc(-n2c([C@H]3CCC[NH2+]3)cc3ccccc32)ncc1[N+](=O)[O-] ZINC001166650358 1383453122 /nfs/dbraw/zinc/45/31/22/1383453122.db2.gz CTQJBUNAGPIGJI-CYBMUJFWSA-N 1 0 338.367 3.367 20 5 EGBDRO COc1ccc([N+](=O)[O-])nc1NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC001166899563 1383496240 /nfs/dbraw/zinc/49/62/40/1383496240.db2.gz BYEDSPPMJDLSPG-HNNXBMFYSA-N 1 0 342.399 3.247 20 5 EGBDRO CCC1(C(=O)NCCC2(C[NH2+]Cc3ccccc3[N+](=O)[O-])CC2)CC1 ZINC001167057930 1383529945 /nfs/dbraw/zinc/52/99/45/1383529945.db2.gz VEQQNPJWAQOHQS-UHFFFAOYSA-N 1 0 345.443 3.161 20 5 EGBDRO O=[N+]([O-])c1cnc(N2CC3(CC[NH2+]CC3)c3ccccc32)c(Cl)c1 ZINC001167069920 1383532592 /nfs/dbraw/zinc/53/25/92/1383532592.db2.gz FBEREAFDZXHRHE-UHFFFAOYSA-N 1 0 344.802 3.416 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(OC(C)C)cc1NCC[NH+]1CCSCC1 ZINC001167840125 1383755691 /nfs/dbraw/zinc/75/56/91/1383755691.db2.gz ZFXYBCMMQDZOSG-UHFFFAOYSA-N 1 0 339.461 3.151 20 5 EGBDRO [NH3+]CCc1cn(-c2ccc3cc([N+](=O)[O-])ccc3n2)c2ccc(O)cc12 ZINC001167984963 1383787887 /nfs/dbraw/zinc/78/78/87/1383787887.db2.gz XCKWESBOKGZMGT-UHFFFAOYSA-N 1 0 348.362 3.294 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CCCc2ccc(Br)cc2)C1 ZINC001168956271 1384070621 /nfs/dbraw/zinc/07/06/21/1384070621.db2.gz DFVNSELOOYKWPO-HIFRSBDPSA-N 1 0 341.249 3.417 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2ccc(Br)c(F)c2)C1 ZINC001168975813 1384076819 /nfs/dbraw/zinc/07/68/19/1384076819.db2.gz XHNBSOVRHLFGBY-WDEREUQCSA-N 1 0 331.185 3.123 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H](CCO)c2cccc3ccccc32)C1 ZINC001168978171 1384076889 /nfs/dbraw/zinc/07/68/89/1384076889.db2.gz PJTJQAUTUCHEHQ-ALKREAHSSA-N 1 0 328.412 3.298 20 5 EGBDRO O=C(C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccc(F)c(C(F)(F)F)c1 ZINC001168988894 1384080309 /nfs/dbraw/zinc/08/03/09/1384080309.db2.gz UVAIQKDVSCDPEB-GXSJLCMTSA-N 1 0 348.296 3.062 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]C2(c3cccc(Cl)c3)CCOCC2)C1 ZINC001168997946 1384083042 /nfs/dbraw/zinc/08/30/42/1384083042.db2.gz GSROOLFFFYHYJG-XJKSGUPXSA-N 1 0 338.835 3.381 20 5 EGBDRO CC1(C)CN(Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168998251 1384083177 /nfs/dbraw/zinc/08/31/77/1384083177.db2.gz KNPVVEUXIYVFMP-FHWLQOOXSA-N 1 0 345.487 3.322 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@@H](n2c3ccccc3nc2C2CC[NH2+]CC2)C1 ZINC001169006883 1384086568 /nfs/dbraw/zinc/08/65/68/1384086568.db2.gz KAGTUMMMUXGUOD-DZGCQCFKSA-N 1 0 328.416 3.121 20 5 EGBDRO COc1cccc(C(=O)C2CC[NH+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)c1 ZINC001169012698 1384089403 /nfs/dbraw/zinc/08/94/03/1384089403.db2.gz RSSPQKJJCYKJOJ-RHSMWYFYSA-N 1 0 346.427 3.035 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCC(OCc3ccc(F)cc3)CC2)C1 ZINC001169030083 1384094161 /nfs/dbraw/zinc/09/41/61/1384094161.db2.gz VZDOKJURNONAOH-RDJZCZTQSA-N 1 0 336.407 3.252 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@H](n2c3ccccc3nc2[C@H]2CCCC[NH2+]2)C1 ZINC001169036152 1384096056 /nfs/dbraw/zinc/09/60/56/1384096056.db2.gz FMTMIDTVQQOVOA-IJEWVQPXSA-N 1 0 328.416 3.469 20 5 EGBDRO COc1ccc(C(=O)C2CC[NH+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)cc1 ZINC001169038019 1384097135 /nfs/dbraw/zinc/09/71/35/1384097135.db2.gz VCRATQQVVIYQEI-YOEHRIQHSA-N 1 0 346.427 3.035 20 5 EGBDRO C[C@]1(c2ccc(Cl)cc2)C[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCO1 ZINC001169039548 1384097845 /nfs/dbraw/zinc/09/78/45/1384097845.db2.gz RCQCOMMLYNWZTL-KBRIMQKVSA-N 1 0 338.835 3.333 20 5 EGBDRO CC1(C)C[C@H](Nc2ccc3ncc([N+](=O)[O-])n3c2)C[C@@](C)(C[NH3+])C1 ZINC001169141192 1384112718 /nfs/dbraw/zinc/11/27/18/1384112718.db2.gz AXJQLYQTBSPDLE-SUMWQHHRSA-N 1 0 331.420 3.198 20 5 EGBDRO c1nc(CNc2cc3cccnc3c3ncccc23)c2n1CCC[NH2+]C2 ZINC001169244003 1384126713 /nfs/dbraw/zinc/12/67/13/1384126713.db2.gz YYQMVXSJFXTFRM-UHFFFAOYSA-N 1 0 344.422 3.085 20 5 EGBDRO O=[N+]([O-])c1cc(NCc2ncn3c2C[NH2+]CCC3)cc2ccccc21 ZINC001169245341 1384126797 /nfs/dbraw/zinc/12/67/97/1384126797.db2.gz RSHFXKXEVOBSAY-UHFFFAOYSA-N 1 0 337.383 3.050 20 5 EGBDRO COc1ccnc(N2CCC[C@H]([NH3+])c3cc(C)ccc32)c1[N+](=O)[O-] ZINC001169683433 1384173199 /nfs/dbraw/zinc/17/31/99/1384173199.db2.gz MKJIBVLVTXPBLQ-ZDUSSCGKSA-N 1 0 328.372 3.239 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+]Cc2ccccc2OC)c([N+](=O)[O-])c1 ZINC001170295567 1384284684 /nfs/dbraw/zinc/28/46/84/1384284684.db2.gz VJTOGUJLVHUCNN-ZDUSSCGKSA-N 1 0 330.384 3.333 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+]CCc2ccc(O)cc2)c([N+](=O)[O-])c1 ZINC001170295238 1384284829 /nfs/dbraw/zinc/28/48/29/1384284829.db2.gz BRIZHEZJNUMLFB-ZDUSSCGKSA-N 1 0 330.384 3.072 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2ncccc2Cl)c([N+](=O)[O-])c1 ZINC001170307489 1384286958 /nfs/dbraw/zinc/28/69/58/1384286958.db2.gz GLAIDZXWSUDQDB-LLVKDONJSA-N 1 0 335.791 3.373 20 5 EGBDRO COc1ccc(C[C@H](C)n2ncc3cccc(C[NH3+])c32)c([N+](=O)[O-])c1 ZINC001170306246 1384287083 /nfs/dbraw/zinc/28/70/83/1384287083.db2.gz TVFPXJSLKHXZQK-LBPRGKRZSA-N 1 0 340.383 3.216 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+]CC[C@H](O)c2ccccc2)c([N+](=O)[O-])c1 ZINC001170308143 1384287777 /nfs/dbraw/zinc/28/77/77/1384287777.db2.gz LAKNABSCIVIHAF-LIRRHRJNSA-N 1 0 344.411 3.248 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+]C2(CC3CC3)CCOCC2)c([N+](=O)[O-])c1 ZINC001170325398 1384291204 /nfs/dbraw/zinc/29/12/04/1384291204.db2.gz UNKYIGMLVWYJTN-CQSZACIVSA-N 1 0 348.443 3.473 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H](C)c2ccnc(OC)c2)c([N+](=O)[O-])c1 ZINC001170326546 1384291884 /nfs/dbraw/zinc/29/18/84/1384291884.db2.gz MESPAKUGYRZNIN-OLZOCXBDSA-N 1 0 345.399 3.289 20 5 EGBDRO COc1ccc(C[C@H](C)[N@@H+]2CC[C@H](C)[C@@](C)(O)CC2)c([N+](=O)[O-])c1 ZINC001170329516 1384293020 /nfs/dbraw/zinc/29/30/20/1384293020.db2.gz QIWMSNWGCSVVMP-DEYYWGMASA-N 1 0 336.432 3.017 20 5 EGBDRO COc1ccc(C[C@@H](C)N2CC[N@H+](C)CC23CCCC3)c([N+](=O)[O-])c1 ZINC001170355416 1384299114 /nfs/dbraw/zinc/29/91/14/1384299114.db2.gz DKFQSXAVHXFTOX-OAHLLOKOSA-N 1 0 347.459 3.095 20 5 EGBDRO [NH3+][C@@H]1CCc2c3ccccc3n(-c3c(Cl)nccc3[N+](=O)[O-])c2C1 ZINC001171093441 1384444547 /nfs/dbraw/zinc/44/45/47/1384444547.db2.gz BEOAJAISUCRXOA-SNVBAGLBSA-N 1 0 342.786 3.403 20 5 EGBDRO COc1cc(C)c([N+](=O)[O-])cc1-n1c(CC[NH3+])cc2ccccc21 ZINC001171305719 1384490439 /nfs/dbraw/zinc/49/04/39/1384490439.db2.gz WXABZCCDETVRSA-UHFFFAOYSA-N 1 0 325.368 3.357 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]CCc1ccc(O)cc1)CC2 ZINC001172896338 1384873778 /nfs/dbraw/zinc/87/37/78/1384873778.db2.gz OIIWUILQGQVWDR-KRWDZBQOSA-N 1 0 326.396 3.380 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]Cc1cnc(Cl)cn1)CC2 ZINC001172905303 1384875487 /nfs/dbraw/zinc/87/54/87/1384875487.db2.gz ILKFBCMTLLKZDF-ZDUSSCGKSA-N 1 0 332.791 3.075 20 5 EGBDRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172908457 1384875575 /nfs/dbraw/zinc/87/55/75/1384875575.db2.gz MRKRZFMEZAWKFT-BRWVUGGUSA-N 1 0 346.427 3.164 20 5 EGBDRO Cc1ccc(F)c(C[NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)n1 ZINC001172912275 1384876415 /nfs/dbraw/zinc/87/64/15/1384876415.db2.gz MXTTVVJLDWXUDI-HNNXBMFYSA-N 1 0 329.375 3.475 20 5 EGBDRO COc1ccc(C[NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)nc1 ZINC001172911887 1384876456 /nfs/dbraw/zinc/87/64/56/1384876456.db2.gz KUJCBLVOKRWNES-HNNXBMFYSA-N 1 0 327.384 3.036 20 5 EGBDRO COC(=O)CC[C@@H]1CC[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172914797 1384877351 /nfs/dbraw/zinc/87/73/51/1384877351.db2.gz IYWQXPNLRKXGFI-PBHICJAKSA-N 1 0 346.427 3.117 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CCC[C@H](F)CC2)c1F ZINC001173178289 1384931459 /nfs/dbraw/zinc/93/14/59/1384931459.db2.gz AEDMUMSEFHKARF-RYUDHWBXSA-N 1 0 328.359 3.498 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@H](C)c2ccccn2)c1F ZINC001173176649 1384932000 /nfs/dbraw/zinc/93/20/00/1384932000.db2.gz LEPPERHNENZPHR-VXGBXAGGSA-N 1 0 333.363 3.419 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]COc2ccccc2)c1F ZINC001173185644 1384932380 /nfs/dbraw/zinc/93/23/80/1384932380.db2.gz BSCBFELKMIMIBR-LBPRGKRZSA-N 1 0 334.347 3.300 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@H]2CCc3cccnc32)c1F ZINC001173183585 1384932660 /nfs/dbraw/zinc/93/26/60/1384932660.db2.gz CCEVUTIBVOTONQ-RISCZKNCSA-N 1 0 345.374 3.346 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CCCOC(C)C)c1F ZINC001173188261 1384933025 /nfs/dbraw/zinc/93/30/25/1384933025.db2.gz JIZQVSUPJVQPBF-LBPRGKRZSA-N 1 0 328.384 3.078 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2C[C@@H]3C[C@H]2C[C@H]3F)c1F ZINC001173190084 1384933097 /nfs/dbraw/zinc/93/30/97/1384933097.db2.gz QCHIHTLYTXMUBN-MRBYEJRBSA-N 1 0 326.343 3.106 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+](C)Cc2cncs2)c1F ZINC001173191302 1384934260 /nfs/dbraw/zinc/93/42/60/1384934260.db2.gz BMXUVZIHWZEQPP-SNVBAGLBSA-N 1 0 339.392 3.262 20 5 EGBDRO COc1ccc(C(=O)C[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001173213931 1384937042 /nfs/dbraw/zinc/93/70/42/1384937042.db2.gz JJAVJFIMVVLEPH-CYBMUJFWSA-N 1 0 328.368 3.007 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCc1ccc(N(C)C)cc1 ZINC001173214555 1384937361 /nfs/dbraw/zinc/93/73/61/1384937361.db2.gz PBLYPHOHTHXALV-OAHLLOKOSA-N 1 0 327.428 3.424 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CCN1C(=O)OC(C)(C)C ZINC001173217796 1384937731 /nfs/dbraw/zinc/93/77/31/1384937731.db2.gz MGJCWDSHYGXAQL-BBRMVZONSA-N 1 0 349.431 3.125 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)n1nc(-c2ccncc2)cc1C[NH3+] ZINC001173217922 1384937768 /nfs/dbraw/zinc/93/77/68/1384937768.db2.gz HKEKUPYNPRDNBB-CYBMUJFWSA-N 1 0 337.383 3.116 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cncnc1C(C)(C)F ZINC001173219562 1384938095 /nfs/dbraw/zinc/93/80/95/1384938095.db2.gz NXWLJGGPVGKEAD-LBPRGKRZSA-N 1 0 332.379 3.310 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](Oc2cccnc2)C1 ZINC001173227554 1384940178 /nfs/dbraw/zinc/94/01/78/1384940178.db2.gz QSQKAOOYBLRPLI-KXBFYZLASA-N 1 0 341.411 3.464 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC1 ZINC001173228434 1384940795 /nfs/dbraw/zinc/94/07/95/1384940795.db2.gz WTCONGSOWIAWEE-MAUKXSAKSA-N 1 0 345.443 3.003 20 5 EGBDRO CCC(=O)N(CC)C1CC[NH+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173236905 1384941910 /nfs/dbraw/zinc/94/19/10/1384941910.db2.gz FZHQHDBOAABUTI-OAHLLOKOSA-N 1 0 347.459 3.249 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cccnc1N1CCCC1 ZINC001173235944 1384942117 /nfs/dbraw/zinc/94/21/17/1384942117.db2.gz WHLSCTSQOUSTCK-HNNXBMFYSA-N 1 0 340.427 3.311 20 5 EGBDRO Cc1cccnc1O[C@@H]1CC[N@@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173238356 1384942936 /nfs/dbraw/zinc/94/29/36/1384942936.db2.gz QLONOXSLFANDER-CRAIPNDOSA-N 1 0 341.411 3.383 20 5 EGBDRO Cc1cccnc1O[C@H]1CC[N@@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173238358 1384943249 /nfs/dbraw/zinc/94/32/49/1384943249.db2.gz QLONOXSLFANDER-QAPCUYQASA-N 1 0 341.411 3.383 20 5 EGBDRO CC(C)(C)[NH+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC001317974849 1385595176 /nfs/dbraw/zinc/59/51/76/1385595176.db2.gz QQOFFNGOUWVADV-UHFFFAOYSA-N 1 0 340.811 3.196 20 5 EGBDRO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC001319159777 1385986882 /nfs/dbraw/zinc/98/68/82/1385986882.db2.gz JSBPCIIBPAWYEV-CVEARBPZSA-N 1 0 348.447 3.002 20 5 EGBDRO O=C(NCCCCCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccco1 ZINC001177771481 1386039996 /nfs/dbraw/zinc/03/99/96/1386039996.db2.gz LIHWVVIZSKXHEE-UHFFFAOYSA-N 1 0 345.399 3.268 20 5 EGBDRO Cc1c(C(=O)N2CCCc3ccc([N+](=O)[O-])cc32)ccc2c[nH+]cn21 ZINC001320144805 1386533869 /nfs/dbraw/zinc/53/38/69/1386533869.db2.gz FEDQYUMKWARLJZ-UHFFFAOYSA-N 1 0 336.351 3.144 20 5 EGBDRO O=[N+]([O-])c1ccc(Cc2nc([C@H]3C[NH+]4CCC3CC4)no2)c(Cl)c1 ZINC001320495267 1386627020 /nfs/dbraw/zinc/62/70/20/1386627020.db2.gz HVCMXGPVINCZSG-ZDUSSCGKSA-N 1 0 348.790 3.031 20 5 EGBDRO C[N@H+](CC(=O)n1c2ccccc2cc2c(=O)c(N)ccc1-2)C1CCCC1 ZINC001180629687 1386853256 /nfs/dbraw/zinc/85/32/56/1386853256.db2.gz UVBNWJQKVIFHDS-UHFFFAOYSA-N 1 0 349.434 3.203 20 5 EGBDRO COc1ccc(OCC[N@@H+]2CC[C@@H]3CCCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC001322157727 1387080607 /nfs/dbraw/zinc/08/06/07/1387080607.db2.gz NTWIHBPDAZSFIV-GJZGRUSLSA-N 1 0 334.416 3.494 20 5 EGBDRO O=C(Nc1cc2cccnc2c2ncccc12)[C@H]1C[NH+]2CCC1CC2 ZINC001182010248 1387093696 /nfs/dbraw/zinc/09/36/96/1387093696.db2.gz JWZZHOOYKBBANN-INIZCTEOSA-N 1 0 332.407 3.063 20 5 EGBDRO COCC[NH+]1CCC(Nc2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC1 ZINC001336658860 1389130021 /nfs/dbraw/zinc/13/00/21/1389130021.db2.gz LRJGVGSJIZEFBH-UHFFFAOYSA-N 1 0 347.337 3.136 20 5 EGBDRO C[N@@H+]1CC[C@]2(CCN(c3cc(C(F)(F)F)ccc3[N+](=O)[O-])C2)C1 ZINC001336691993 1389137348 /nfs/dbraw/zinc/13/73/48/1389137348.db2.gz IAYJAGPOUVMXHP-AWEZNQCLSA-N 1 0 329.322 3.146 20 5 EGBDRO CCOc1ccc([C@@H](C)NC[C@H]2CCC[N@H+](CC)C2)cc1[N+](=O)[O-] ZINC001336874899 1389193052 /nfs/dbraw/zinc/19/30/52/1389193052.db2.gz WVZUTCHMLCNCNP-HUUCEWRRSA-N 1 0 335.448 3.376 20 5 EGBDRO CCOc1ccc([C@@H](C)NC[C@@H]2CCC[N@H+](CC)C2)cc1[N+](=O)[O-] ZINC001336874896 1389193372 /nfs/dbraw/zinc/19/33/72/1389193372.db2.gz WVZUTCHMLCNCNP-CABCVRRESA-N 1 0 335.448 3.376 20 5 EGBDRO CC(C)[NH2+][C@H]1CCCN(c2ncnc3c(Cl)cc([N+](=O)[O-])cc32)C1 ZINC001329977549 1389278175 /nfs/dbraw/zinc/27/81/75/1389278175.db2.gz VRMZCBDZHILPJQ-NSHDSACASA-N 1 0 349.822 3.158 20 5 EGBDRO Cc1nc(N[C@@H](C[NH+]2CCCCC2)c2ccccc2)ncc1[N+](=O)[O-] ZINC001330588958 1389463151 /nfs/dbraw/zinc/46/31/51/1389463151.db2.gz CSKADZMLBFPFRH-INIZCTEOSA-N 1 0 341.415 3.332 20 5 EGBDRO C[NH2+][C@@H](C)CCNCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC001331419836 1389740475 /nfs/dbraw/zinc/74/04/75/1389740475.db2.gz SPJARZPRZINLAR-HNNXBMFYSA-N 1 0 342.443 3.450 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(C[NH2+][C@H](CO)C2CC2)o1 ZINC001339108651 1389904240 /nfs/dbraw/zinc/90/42/40/1389904240.db2.gz BRNYAHFHYFGTQA-CQSZACIVSA-N 1 0 336.775 3.369 20 5 EGBDRO COCc1cc([N+](=O)[O-])ccc1NC1CCN(c2cc[nH+]cc2)CC1 ZINC001340020750 1390208613 /nfs/dbraw/zinc/20/86/13/1390208613.db2.gz ZJNFFOJNQVXROK-UHFFFAOYSA-N 1 0 342.399 3.217 20 5 EGBDRO COc1c(O)ccc(C[NH2+]C[C@@H](C)Cc2cccs2)c1[N+](=O)[O-] ZINC001333683541 1390373972 /nfs/dbraw/zinc/37/39/72/1390373972.db2.gz FAZJMYHSGLIOAP-NSHDSACASA-N 1 0 336.413 3.339 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)c2ncnc(N[C@@H]3CC[NH2+]C4(CCC4)C3)c2c1 ZINC001333893468 1390431710 /nfs/dbraw/zinc/43/17/10/1390431710.db2.gz PYYWIJCFRZHZDR-SNVBAGLBSA-N 1 0 347.806 3.278 20 5 EGBDRO O=[N+]([O-])c1cc(-c2cc(C[NH2+]CC3CC3)on2)ccc1N1CCCC1 ZINC001334006249 1390458849 /nfs/dbraw/zinc/45/88/49/1390458849.db2.gz VGJZZVUXTQRAKK-UHFFFAOYSA-N 1 0 342.399 3.350 20 5 EGBDRO CC[NH+](CC)C1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC001341982840 1390557575 /nfs/dbraw/zinc/55/75/75/1390557575.db2.gz BGQMKGXXMHQYOX-QZTJIDSGSA-N 1 0 345.443 3.031 20 5 EGBDRO CCS[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC001334972322 1390627407 /nfs/dbraw/zinc/62/74/07/1390627407.db2.gz HFJATIDXAMZITK-OCCSQVGLSA-N 1 0 340.445 3.463 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](CO)CC1CCOCC1 ZINC001343794406 1390737192 /nfs/dbraw/zinc/73/71/92/1390737192.db2.gz HRPWZSYKWRSKBP-DWCFMXGVSA-N 1 0 348.443 3.013 20 5 EGBDRO Cc1ccc([C@H](C)NC(=O)[C@@H]2CC[C@H]3C[C@@H](C)C[N@@H+]3C2)cc1[N+](=O)[O-] ZINC001346668338 1390968038 /nfs/dbraw/zinc/96/80/38/1390968038.db2.gz LMIVKUNYORQJBZ-UOJCXKCYSA-N 1 0 345.443 3.201 20 5 EGBDRO CC[NH+](CC)CC[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC001348340165 1391207746 /nfs/dbraw/zinc/20/77/46/1391207746.db2.gz SSVZIOOUJMZUQU-LLVKDONJSA-N 1 0 327.812 3.098 20 5 EGBDRO C[C@H](CNc1ncnc2c(Cl)cc([N+](=O)[O-])cc12)C[NH+]1CCCC1 ZINC001350434316 1391463818 /nfs/dbraw/zinc/46/38/18/1391463818.db2.gz VNAVJFLQPYKEFG-LLVKDONJSA-N 1 0 349.822 3.335 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(NC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC001354412251 1392142806 /nfs/dbraw/zinc/14/28/06/1392142806.db2.gz NAHWJQBRKOXMES-UHFFFAOYSA-N 1 0 328.372 3.079 20 5 EGBDRO CC1(CC(=O)NC2(C[NH2+]Cc3cccc([N+](=O)[O-])c3)CCCC2)CC1 ZINC001753504642 1440424069 /nfs/dbraw/zinc/42/40/69/1440424069.db2.gz AFEWUFFRHPRGMJ-UHFFFAOYSA-N 1 0 345.443 3.304 20 5 EGBDRO CC(C)=CC(=O)NC1(C)CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001754624804 1440646046 /nfs/dbraw/zinc/64/60/46/1440646046.db2.gz YNPZQXKXKQNZJE-UHFFFAOYSA-N 1 0 331.416 3.032 20 5 EGBDRO O=[N+]([O-])c1ccc2c(ccnc2N2CC3(C2)CC[N@H+](CC2CC2)C3)c1 ZINC001164774529 721303027 /nfs/dbraw/zinc/30/30/27/721303027.db2.gz FEDKSSUJFORQLD-UHFFFAOYSA-N 1 0 338.411 3.065 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)cc(N2CCCC[C@@H]2CC[NH+]2CCCC2)n1 ZINC001165048188 721968688 /nfs/dbraw/zinc/96/86/88/721968688.db2.gz MIHJAMYIELGOMF-CQSZACIVSA-N 1 0 338.839 3.488 20 5 EGBDRO Cc1c(C)c(N2CCCC[C@@H]2CC[NH+]2CCCC2)ncc1[N+](=O)[O-] ZINC001165047647 721971754 /nfs/dbraw/zinc/97/17/54/721971754.db2.gz LDUAFLXYHRXCKL-MRXNPFEDSA-N 1 0 332.448 3.451 20 5 EGBDRO Cc1c(C)c(N2CCCC[C@H]2CC[NH+]2CCCC2)ncc1[N+](=O)[O-] ZINC001165047631 721971928 /nfs/dbraw/zinc/97/19/28/721971928.db2.gz LDUAFLXYHRXCKL-INIZCTEOSA-N 1 0 332.448 3.451 20 5 EGBDRO CN(C(=O)C[N@@H+]1CCC[C@H]1C1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000055927573 214348751 /nfs/dbraw/zinc/34/87/51/214348751.db2.gz JSRVDERZNBAYKN-KRWDZBQOSA-N 1 0 331.416 3.212 20 5 EGBDRO C[C@H](NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000178137062 232091458 /nfs/dbraw/zinc/09/14/58/232091458.db2.gz OMQRAEMTYVWOGP-GOEBONIOSA-N 1 0 345.443 3.427 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)NCc2cccs2)cc1[N+](=O)[O-] ZINC000178687689 232377856 /nfs/dbraw/zinc/37/78/56/232377856.db2.gz KZIVUIGVAUBRNO-OLZOCXBDSA-N 1 0 347.440 3.320 20 5 EGBDRO CCCN(CC[NH+]1CCCCC1)C(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000342794202 283248812 /nfs/dbraw/zinc/24/88/12/283248812.db2.gz KJXIQJGHJVICIC-UHFFFAOYSA-N 1 0 333.432 3.241 20 5 EGBDRO CCCO[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000193931359 240366755 /nfs/dbraw/zinc/36/67/55/240366755.db2.gz FJGXGJZCLVFETI-HNNXBMFYSA-N 1 0 337.376 3.284 20 5 EGBDRO COCc1ccc([C@@H]2CCC[N@@H+]2C[C@H](O)c2cccc([N+](=O)[O-])c2)o1 ZINC000130962991 223191700 /nfs/dbraw/zinc/19/17/00/223191700.db2.gz MIZZHGRDTQOUKJ-IRXDYDNUSA-N 1 0 346.383 3.205 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000072693634 216294867 /nfs/dbraw/zinc/29/48/67/216294867.db2.gz HZAJOFZFEVLSTA-BBRMVZONSA-N 1 0 347.415 3.197 20 5 EGBDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000072706080 216295384 /nfs/dbraw/zinc/29/53/84/216295384.db2.gz VZVCJQRFQDRFCW-GFCCVEGCSA-N 1 0 339.823 3.243 20 5 EGBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000150850807 283720379 /nfs/dbraw/zinc/72/03/79/283720379.db2.gz XCMGJTBACUULEH-FVNWOWOISA-N 1 0 343.427 3.085 20 5 EGBDRO Cc1c(NC(=O)NC2CC[NH+](C(C)(C)C)CC2)cccc1[N+](=O)[O-] ZINC000193716466 240280736 /nfs/dbraw/zinc/28/07/36/240280736.db2.gz HEBUMXHYWUHMBT-UHFFFAOYSA-N 1 0 334.420 3.288 20 5 EGBDRO CC(C)(C)OC(=O)N1CC[C@](C)(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000195219579 240879978 /nfs/dbraw/zinc/87/99/78/240879978.db2.gz DWAKMDFQKVWFTP-GOSISDBHSA-N 1 0 349.431 3.332 20 5 EGBDRO CC[NH+](CC)C[C@H]1CCN(c2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000078559685 217077019 /nfs/dbraw/zinc/07/70/19/217077019.db2.gz XWFPGAJOYBPXHD-CQSZACIVSA-N 1 0 328.416 3.311 20 5 EGBDRO CC(C)CC[NH+]1CCC(CNC(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000079654388 217247171 /nfs/dbraw/zinc/24/71/71/217247171.db2.gz HWEOBTXTLMVYHJ-UHFFFAOYSA-N 1 0 347.459 3.012 20 5 EGBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000081360996 217386973 /nfs/dbraw/zinc/38/69/73/217386973.db2.gz AROZVJUVAPZCGT-GFCCVEGCSA-N 1 0 339.823 3.052 20 5 EGBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000150795700 223741226 /nfs/dbraw/zinc/74/12/26/223741226.db2.gz WGNXHOUODPATSU-PYUISTEWSA-N 1 0 343.427 3.085 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCO[C@H]4CCC[C@@H]43)o2)c1 ZINC000265120822 247223341 /nfs/dbraw/zinc/22/33/41/247223341.db2.gz JXUSLBUHQPDDKL-HOTGVXAUSA-N 1 0 343.383 3.046 20 5 EGBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)C1 ZINC000091983705 218097981 /nfs/dbraw/zinc/09/79/81/218097981.db2.gz WCKBXUSCFLWNDM-MRXNPFEDSA-N 1 0 347.459 3.324 20 5 EGBDRO COc1ccc([C@H](CO)[N@H+](C)C/C=C/c2ccccc2[N+](=O)[O-])cc1 ZINC000093415351 218224013 /nfs/dbraw/zinc/22/40/13/218224013.db2.gz PYTMPHBYENJIJX-XZXOBPBMSA-N 1 0 342.395 3.282 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCC(Nc3ccccc3)CC2)c1 ZINC000095432623 218375034 /nfs/dbraw/zinc/37/50/34/218375034.db2.gz PEEIFOQQNFUGIP-IBGZPJMESA-N 1 0 341.411 3.205 20 5 EGBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H](c1ccco1)[NH+](CC)CC ZINC000192539416 284825746 /nfs/dbraw/zinc/82/57/46/284825746.db2.gz SWSOMUNWSOUWRQ-CYBMUJFWSA-N 1 0 335.408 3.208 20 5 EGBDRO O=[N+]([O-])c1cc(Br)ccc1N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000061858086 285083166 /nfs/dbraw/zinc/08/31/66/285083166.db2.gz BYEBGLIMABBJDZ-GFCCVEGCSA-N 1 0 340.221 3.032 20 5 EGBDRO O=[N+]([O-])c1ccc2nc(N3CC[C@@H]([NH+]4CCCCC4)C3)ccc2c1 ZINC000264594430 285149850 /nfs/dbraw/zinc/14/98/50/285149850.db2.gz MFQHCPNUJGRIDM-MRXNPFEDSA-N 1 0 326.400 3.208 20 5 EGBDRO CC[C@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000341205705 141138668 /nfs/dbraw/zinc/13/86/68/141138668.db2.gz HIYZOJMFZGCQEL-KRWDZBQOSA-N 1 0 339.395 3.225 20 5 EGBDRO CC[NH+](CC)CCCCNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000347916340 141215969 /nfs/dbraw/zinc/21/59/69/141215969.db2.gz BGTOEMCIGGTJBQ-ZDUSSCGKSA-N 1 0 339.411 3.076 20 5 EGBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H](Cc1ccccc1)c1cccs1 ZINC000347921631 141217561 /nfs/dbraw/zinc/21/75/61/141217561.db2.gz QYOUTCZYYZSCOT-CQSZACIVSA-N 1 0 342.424 3.463 20 5 EGBDRO Cc1cc([N+](=O)[O-])cnc1NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000353447589 141297620 /nfs/dbraw/zinc/29/76/20/141297620.db2.gz IUGVMQTWYAXFMP-OAHLLOKOSA-N 1 0 328.416 3.043 20 5 EGBDRO CCCN(CC[NH+](CC)CC)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000359652072 141398658 /nfs/dbraw/zinc/39/86/58/141398658.db2.gz OGIVTVMADVFDFG-UHFFFAOYSA-N 1 0 340.399 3.320 20 5 EGBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000171446475 144003532 /nfs/dbraw/zinc/00/35/32/144003532.db2.gz UKWJMKMVBGBJPE-CQSZACIVSA-N 1 0 345.424 3.120 20 5 EGBDRO CC(C)[C@@H](C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000171449596 144003836 /nfs/dbraw/zinc/00/38/36/144003836.db2.gz IQRBUZGMPZPQDK-YOEHRIQHSA-N 1 0 333.432 3.283 20 5 EGBDRO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)[C@H]1COc2ccccc21 ZINC000185575293 144115210 /nfs/dbraw/zinc/11/52/10/144115210.db2.gz QYFZLSVFTWSDKX-CXAGYDPISA-N 1 0 328.368 3.128 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCC[C@@H](C)C1 ZINC000187918416 144166156 /nfs/dbraw/zinc/16/61/56/144166156.db2.gz JDKONYSFSPHUPW-CYBMUJFWSA-N 1 0 335.404 3.054 20 5 EGBDRO C[C@@H]1C[C@@H](NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC[N@@H+]1C ZINC000344610638 144198007 /nfs/dbraw/zinc/19/80/07/144198007.db2.gz AYRUXAOPTKYLDT-KGLIPLIRSA-N 1 0 329.400 3.427 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCN3CCC3)o2)c(Cl)c1 ZINC000344842880 144230016 /nfs/dbraw/zinc/23/00/16/144230016.db2.gz WIVJJINAXYJHDV-UHFFFAOYSA-N 1 0 335.791 3.304 20 5 EGBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H](c3ccc(F)cc3)CC2)c1 ZINC000351200290 144259204 /nfs/dbraw/zinc/25/92/04/144259204.db2.gz JIJYPXGXHSZYRG-AWEZNQCLSA-N 1 0 332.379 3.200 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+]C2CCN(CC(F)F)CC2)cc1[N+](=O)[O-] ZINC000341404377 155273283 /nfs/dbraw/zinc/27/32/83/155273283.db2.gz WBJRKNVFBSCDCT-GFCCVEGCSA-N 1 0 327.375 3.283 20 5 EGBDRO Cc1ccnc(NCc2ccc(OCCC[NH+](C)C)cc2)c1[N+](=O)[O-] ZINC000115516870 152015719 /nfs/dbraw/zinc/01/57/19/152015719.db2.gz JZTDFPKCYVNAJZ-UHFFFAOYSA-N 1 0 344.415 3.241 20 5 EGBDRO COC(=O)[C@H](C)C[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000120593563 152287269 /nfs/dbraw/zinc/28/72/69/152287269.db2.gz VJKFYOVXFMCKJV-GFCCVEGCSA-N 1 0 332.356 3.096 20 5 EGBDRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000121580259 152359942 /nfs/dbraw/zinc/35/99/42/152359942.db2.gz NDUVWLUEVZBAJT-CQSZACIVSA-N 1 0 340.811 3.052 20 5 EGBDRO Cc1ccc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC000153954349 152564326 /nfs/dbraw/zinc/56/43/26/152564326.db2.gz FJOIDGNOGJWIAF-UHFFFAOYSA-N 1 0 327.384 3.342 20 5 EGBDRO CCn1nc(C)c([N+](=O)[O-])c1N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000192771631 153258026 /nfs/dbraw/zinc/25/80/26/153258026.db2.gz GEGJMOWCFNIPRE-XJKSGUPXSA-N 1 0 343.431 3.052 20 5 EGBDRO CC[C@@H](c1ccccc1)[N@H+](CC)CCn1cc([N+](=O)[O-])ccc1=O ZINC000341621830 155387150 /nfs/dbraw/zinc/38/71/50/155387150.db2.gz RFAXJMFBENRCRA-KRWDZBQOSA-N 1 0 329.400 3.230 20 5 EGBDRO CC1(C)CCC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000303891747 154059329 /nfs/dbraw/zinc/05/93/29/154059329.db2.gz KJSJGCNXORBDSR-INIZCTEOSA-N 1 0 331.416 3.212 20 5 EGBDRO C[C@H]1[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000310321919 154143245 /nfs/dbraw/zinc/14/32/45/154143245.db2.gz VFPANPQNDCAHDT-HNAYVOBHSA-N 1 0 325.412 3.347 20 5 EGBDRO C[NH+](C)CCN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CCCC1 ZINC000336866608 154220835 /nfs/dbraw/zinc/22/08/35/154220835.db2.gz JADHLTNPICAKHP-UHFFFAOYSA-N 1 0 339.823 3.195 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCCC[C@H]1OC(F)F ZINC000337397008 154331479 /nfs/dbraw/zinc/33/14/79/154331479.db2.gz JCJXENKWXKPNMO-CHWSQXEVSA-N 1 0 330.331 3.243 20 5 EGBDRO O=[N+]([O-])c1ccc(OC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000340050116 155083174 /nfs/dbraw/zinc/08/31/74/155083174.db2.gz REIYNWAXDCTXOE-LJQANCHMSA-N 1 0 342.395 3.265 20 5 EGBDRO O=C(NCCC[NH+]1CCCCCC1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342912309 155575084 /nfs/dbraw/zinc/57/50/84/155575084.db2.gz CAKSNXYUZJCUAV-UHFFFAOYSA-N 1 0 344.415 3.072 20 5 EGBDRO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)C1CCOCC1 ZINC000343382756 155779176 /nfs/dbraw/zinc/77/91/76/155779176.db2.gz HGUFJPGOXWLTJR-DZGCQCFKSA-N 1 0 349.431 3.025 20 5 EGBDRO Cc1c(Cc2noc(-c3ccc4c[nH+]cn4c3)n2)cccc1[N+](=O)[O-] ZINC000346892393 156183655 /nfs/dbraw/zinc/18/36/55/156183655.db2.gz WTYAUKLUFNFPTE-UHFFFAOYSA-N 1 0 335.323 3.192 20 5 EGBDRO [NH3+]CCN(Cc1cc2ccc(F)cc2[nH]1)c1ccccc1[N+](=O)[O-] ZINC000348923553 156290130 /nfs/dbraw/zinc/29/01/30/156290130.db2.gz SVFPDJDHWSNHIG-UHFFFAOYSA-N 1 0 328.347 3.181 20 5 EGBDRO CCc1cc(OC)ccc1CN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000348935954 156293059 /nfs/dbraw/zinc/29/30/59/156293059.db2.gz RFVYWMOLCJKUFO-UHFFFAOYSA-N 1 0 329.400 3.131 20 5 EGBDRO Cc1ccc(CN(CC[NH+](C)C)Cc2ccc([N+](=O)[O-])cc2F)o1 ZINC000349038487 156327228 /nfs/dbraw/zinc/32/72/28/156327228.db2.gz VIENUILPZNGDNS-UHFFFAOYSA-N 1 0 335.379 3.199 20 5 EGBDRO CCOc1cc(N(CC[NH+](C)C)Cc2ccco2)ccc1[N+](=O)[O-] ZINC000092682110 161977869 /nfs/dbraw/zinc/97/78/69/161977869.db2.gz OFIIEGVJYQKRCW-UHFFFAOYSA-N 1 0 333.388 3.155 20 5 EGBDRO COCCOC1CC[NH+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000093339542 162004352 /nfs/dbraw/zinc/00/43/52/162004352.db2.gz BZZRIWSATKRQCB-UHFFFAOYSA-N 1 0 336.432 3.346 20 5 EGBDRO Cc1ccc(C[N@H+](CCO)[C@H]2CCc3ccccc32)cc1[N+](=O)[O-] ZINC000093387677 162009027 /nfs/dbraw/zinc/00/90/27/162009027.db2.gz GDCXFLOKEBVTJV-SFHVURJKSA-N 1 0 326.396 3.385 20 5 EGBDRO CC[N@H+](CCC(=O)OC)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000130491705 162370676 /nfs/dbraw/zinc/37/06/76/162370676.db2.gz QUMGRYKJHLHFCT-UHFFFAOYSA-N 1 0 332.356 3.240 20 5 EGBDRO CS[C@@H]1CN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000340198323 163504457 /nfs/dbraw/zinc/50/44/57/163504457.db2.gz AUPUMOFXBASEFF-QWHCGFSZSA-N 1 0 349.378 3.095 20 5 EGBDRO Cc1ccccc1C[N@@H+](C)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000344440604 164179380 /nfs/dbraw/zinc/17/93/80/164179380.db2.gz VHBZSEUMKWPXMG-GOSISDBHSA-N 1 0 339.395 3.141 20 5 EGBDRO [NH3+][C@@H]1CCCN(Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000346086072 164333440 /nfs/dbraw/zinc/33/34/40/164333440.db2.gz IAEDCFVTBNUWSX-OAHLLOKOSA-N 1 0 345.374 3.449 20 5 EGBDRO CCOc1cc(C[NH2+][C@@H](C)c2ccnc(OC)c2)ccc1[N+](=O)[O-] ZINC000347640182 164536416 /nfs/dbraw/zinc/53/64/16/164536416.db2.gz KQJSSLIZWXJKAS-LBPRGKRZSA-N 1 0 331.372 3.248 20 5 EGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC[C@@H](O)C(C)C ZINC000349211797 164840156 /nfs/dbraw/zinc/84/01/56/164840156.db2.gz YOGWDZSQPUOBNF-DZGCQCFKSA-N 1 0 326.462 3.462 20 5 EGBDRO C[NH+](C)[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000351656036 165118279 /nfs/dbraw/zinc/11/82/79/165118279.db2.gz QBRRLNSVVDLKOF-MRXNPFEDSA-N 1 0 346.362 3.158 20 5 EGBDRO O=[N+]([O-])c1ccccc1OC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000351918898 165150269 /nfs/dbraw/zinc/15/02/69/165150269.db2.gz KPUDWEXBRNQVGO-KRWDZBQOSA-N 1 0 342.395 3.265 20 5 EGBDRO CC[N@H+](CCC1CC1)[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000355039770 166090502 /nfs/dbraw/zinc/09/05/02/166090502.db2.gz OGSIQEISTQPHCM-GFCCVEGCSA-N 1 0 335.404 3.052 20 5 EGBDRO CC[C@H]1C[N@H+](Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C[C@H]1O ZINC000355194240 166128676 /nfs/dbraw/zinc/12/86/76/166128676.db2.gz GKCIJXKHUNOPTL-YVEFUNNKSA-N 1 0 346.383 3.066 20 5 EGBDRO CC(C)[NH+](CCCNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)C(C)C ZINC000355316902 166162275 /nfs/dbraw/zinc/16/22/75/166162275.db2.gz ZTKZXWOSBNCGFJ-UHFFFAOYSA-N 1 0 346.431 3.315 20 5 EGBDRO C[C@@H]1CCC[C@@H](C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000357004001 166560035 /nfs/dbraw/zinc/56/00/35/166560035.db2.gz OTRYUSBKFFKUFN-HZPDHXFCSA-N 1 0 345.443 3.179 20 5 EGBDRO COc1ccc([C@H](OC)[C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000357350544 166655512 /nfs/dbraw/zinc/65/55/12/166655512.db2.gz JRASOBSAXRXXEF-SCLBCKFNSA-N 1 0 330.384 3.469 20 5 EGBDRO C[NH+](C)CC1(Nc2ccc([N+](=O)[O-])cc2Br)CCC1 ZINC000359307330 167121685 /nfs/dbraw/zinc/12/16/85/167121685.db2.gz YCILVSMLINSTIQ-UHFFFAOYSA-N 1 0 328.210 3.254 20 5 EGBDRO CC[C@@H](C)[NH2+][C@H](CNC(=O)c1csc([N+](=O)[O-])c1)c1ccco1 ZINC000359547725 167188497 /nfs/dbraw/zinc/18/84/97/167188497.db2.gz SLVWGKFWUHBCOB-ZYHUDNBSSA-N 1 0 337.401 3.109 20 5 EGBDRO CC[C@H](C)[NH2+][C@@H](CNC(=O)c1cc(C)cc([N+](=O)[O-])c1)c1ccco1 ZINC000359567013 167196183 /nfs/dbraw/zinc/19/61/83/167196183.db2.gz WGGRWWJJDMHFFG-BBRMVZONSA-N 1 0 345.399 3.355 20 5 EGBDRO Cc1cccc(CCNc2ncc([N+](=O)[O-])cc2Br)n1 ZINC000359827369 167242482 /nfs/dbraw/zinc/24/24/82/167242482.db2.gz CMRBUNVTVHVTLY-UHFFFAOYSA-N 1 0 337.177 3.110 20 5 EGBDRO CCCN(CC[NH+](CC)CC)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000359833697 167243751 /nfs/dbraw/zinc/24/37/51/167243751.db2.gz ODWZIYDGTLMBJQ-UHFFFAOYSA-N 1 0 346.431 3.270 20 5 EGBDRO COCC[N@H+](C)CCCNc1cc(C)c([N+](=O)[O-])cc1C(F)(F)F ZINC000359872250 167254670 /nfs/dbraw/zinc/25/46/70/167254670.db2.gz HAOACNWESBDFQN-UHFFFAOYSA-N 1 0 349.353 3.302 20 5 EGBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000367933889 168285632 /nfs/dbraw/zinc/28/56/32/168285632.db2.gz DHFROEAHZDDGJX-HNNXBMFYSA-N 1 0 331.416 3.252 20 5 EGBDRO C[N@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)[C@@H]1CCSC1 ZINC000122991591 222195845 /nfs/dbraw/zinc/19/58/45/222195845.db2.gz PSCJMOPFWJISPK-SNVBAGLBSA-N 1 0 331.235 3.295 20 5 EGBDRO O=C(NCCCCC[NH+]1CCCCC1)NCc1ccc([N+](=O)[O-])cc1 ZINC000171832932 227306688 /nfs/dbraw/zinc/30/66/88/227306688.db2.gz XJTJQRBBOINNMC-UHFFFAOYSA-N 1 0 348.447 3.050 20 5 EGBDRO Cc1c(CC(=O)NC[C@H](C2CCCCC2)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000161554815 264894913 /nfs/dbraw/zinc/89/49/13/264894913.db2.gz BIMXQGNKASEASH-GOSISDBHSA-N 1 0 347.459 3.072 20 5 EGBDRO CC[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176220511 265163331 /nfs/dbraw/zinc/16/33/31/265163331.db2.gz VWXKGRONBFZRFI-IRXDYDNUSA-N 1 0 328.416 3.450 20 5 EGBDRO CCC[N@H+](C)C[C@H]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000176280568 265166698 /nfs/dbraw/zinc/16/66/98/265166698.db2.gz BTFDGAXNYGYPHP-CYBMUJFWSA-N 1 0 325.840 3.412 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000177515736 265259019 /nfs/dbraw/zinc/25/90/19/265259019.db2.gz JLVKFRIHEKDBTE-OKILXGFUSA-N 1 0 347.415 3.054 20 5 EGBDRO C[C@H]1[C@@H](c2ccccc2)CC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000177547947 265263082 /nfs/dbraw/zinc/26/30/82/265263082.db2.gz WERVVXCYQDNOGO-HOCLYGCPSA-N 1 0 339.395 3.411 20 5 EGBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1csc2ccccc12 ZINC000179313978 265372621 /nfs/dbraw/zinc/37/26/21/265372621.db2.gz ZZELUOSVSOMXNP-UHFFFAOYSA-N 1 0 343.408 3.103 20 5 EGBDRO COc1cc(C[N@H+](C)C/C=C/c2ccccc2[N+](=O)[O-])ccc1O ZINC000179943514 265392402 /nfs/dbraw/zinc/39/24/02/265392402.db2.gz SEHFSBRZNZLVEM-FNORWQNLSA-N 1 0 328.368 3.454 20 5 EGBDRO COC(=O)N1CCC([C@@H](C)[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000186414619 265531076 /nfs/dbraw/zinc/53/10/76/265531076.db2.gz OQRDYFTVJXCVRU-KGLIPLIRSA-N 1 0 349.431 3.421 20 5 EGBDRO COC(=O)N1CCC([C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000186760188 265550501 /nfs/dbraw/zinc/55/05/01/265550501.db2.gz BRGBNDRXIZZOBR-KBPBESRZSA-N 1 0 349.431 3.421 20 5 EGBDRO Cc1cccc(C[C@@H](CO)[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000191600818 265919180 /nfs/dbraw/zinc/91/91/80/265919180.db2.gz BGUXRWXIXZDVSA-APWZRJJASA-N 1 0 342.439 3.418 20 5 EGBDRO COC(=O)[C@H]1CC[C@@H]([NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000193872971 266071013 /nfs/dbraw/zinc/07/10/13/266071013.db2.gz XYFJULIHEZIRID-XBVQOTNRSA-N 1 0 346.427 3.237 20 5 EGBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](CC3CC3)CC2)c2ccncc21 ZINC000194085923 266090016 /nfs/dbraw/zinc/09/00/16/266090016.db2.gz AZAXEENIRWEMCW-UHFFFAOYSA-N 1 0 326.400 3.429 20 5 EGBDRO Cc1ccccc1N1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000195718774 266190846 /nfs/dbraw/zinc/19/08/46/266190846.db2.gz ZMHJZWLISNJQQC-UHFFFAOYSA-N 1 0 341.411 3.104 20 5 EGBDRO CCOC(=O)N1CCC([NH2+][C@@H](CC)c2cccc([N+](=O)[O-])c2)CC1 ZINC000236883795 266218221 /nfs/dbraw/zinc/21/82/21/266218221.db2.gz LUIVIWPFXAUKPD-INIZCTEOSA-N 1 0 335.404 3.256 20 5 EGBDRO Cc1cc(C[NH+](C)C)cc(NC(=O)Cc2ccccc2[N+](=O)[O-])c1 ZINC000270377819 266504170 /nfs/dbraw/zinc/50/41/70/266504170.db2.gz MIASWFPZFHRUGC-UHFFFAOYSA-N 1 0 327.384 3.146 20 5 EGBDRO C[NH+](C)C1(CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCC1 ZINC000275551746 267379998 /nfs/dbraw/zinc/37/99/98/267379998.db2.gz CIWBBMRCTAFAPK-UHFFFAOYSA-N 1 0 346.456 3.292 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000278072965 267936116 /nfs/dbraw/zinc/93/61/16/267936116.db2.gz OIEYUDJVCNFYQQ-UHFFFAOYSA-N 1 0 346.431 3.208 20 5 EGBDRO C[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CCN1C(=O)OC(C)(C)C ZINC000278534928 268033402 /nfs/dbraw/zinc/03/34/02/268033402.db2.gz VVAKFECKLNUCJQ-DZGCQCFKSA-N 1 0 349.431 3.472 20 5 EGBDRO O=[N+]([O-])c1cc(Br)ccc1N1CCC([NH2+]C2CC2)CC1 ZINC000269288617 275032925 /nfs/dbraw/zinc/03/29/25/275032925.db2.gz OOBNXBASKIYSJO-UHFFFAOYSA-N 1 0 340.221 3.078 20 5 EGBDRO CC[NH+](CC)C[C@H](C)Nc1ccc([N+](=O)[O-])cc1Br ZINC000041677028 275124899 /nfs/dbraw/zinc/12/48/99/275124899.db2.gz NKXWFYLRBVJUOB-JTQLQIEISA-N 1 0 330.226 3.500 20 5 EGBDRO C[C@H]1C[C@@H](Nc2ccc(Br)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000090795081 275153477 /nfs/dbraw/zinc/15/34/77/275153477.db2.gz KDRAIFBAPATJII-ONGXEEELSA-N 1 0 328.210 3.252 20 5 EGBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000181261180 275206028 /nfs/dbraw/zinc/20/60/28/275206028.db2.gz GWZSKGBGBNGGJB-DOMZBBRYSA-N 1 0 349.431 3.248 20 5 EGBDRO CC[C@]1(CO)CCCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000275046130 275251390 /nfs/dbraw/zinc/25/13/90/275251390.db2.gz RSPBRHRMIGCGJO-SFHVURJKSA-N 1 0 329.400 3.440 20 5 EGBDRO CC[C@@H]1CCC[C@H]1[NH2+][C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000279303226 275321007 /nfs/dbraw/zinc/32/10/07/275321007.db2.gz QMMIJDABRYQERK-YRGRVCCFSA-N 1 0 335.404 3.099 20 5 EGBDRO Cc1cccc(CC2(O)CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000279644838 275346466 /nfs/dbraw/zinc/34/64/66/275346466.db2.gz DHRDRTQQZSKXBL-UHFFFAOYSA-N 1 0 340.423 3.473 20 5 EGBDRO C[C@H](O)C[C@@H]1CCCC[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000279718196 275352715 /nfs/dbraw/zinc/35/27/15/275352715.db2.gz IRMMYQHRHZCRSP-GUYCJALGSA-N 1 0 345.399 3.375 20 5 EGBDRO C[C@H](Cn1cccn1)[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000282647351 275656894 /nfs/dbraw/zinc/65/68/94/275656894.db2.gz QGILYNRXGBONQY-VYDXJSESSA-N 1 0 328.416 3.181 20 5 EGBDRO COC(=O)c1csc([C@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000286363168 275987708 /nfs/dbraw/zinc/98/77/08/275987708.db2.gz ZGPSYCOSDLPDIE-NSHDSACASA-N 1 0 334.397 3.336 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)C1CCC(F)(F)CC1 ZINC000286715230 276035992 /nfs/dbraw/zinc/03/59/92/276035992.db2.gz FWLWTCOZCMNRQW-UHFFFAOYSA-N 1 0 341.358 3.351 20 5 EGBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@@H](c3ccncc3)C2)c1 ZINC000289404987 276333889 /nfs/dbraw/zinc/33/38/89/276333889.db2.gz SLMUNEFXINTKRV-MRXNPFEDSA-N 1 0 327.384 3.248 20 5 EGBDRO O=[N+]([O-])c1ccc2oc(CN3CC[C@@H](n4cc(Cl)cn4)C3)nc2c1 ZINC000289709805 276381538 /nfs/dbraw/zinc/38/15/38/276381538.db2.gz CHIYDEMTRPOMOZ-GFCCVEGCSA-N 1 0 347.762 3.033 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCCC1CC[NH+](C)CC1 ZINC000289965337 276426806 /nfs/dbraw/zinc/42/68/06/276426806.db2.gz YPPOTPHEECPJCT-UHFFFAOYSA-N 1 0 334.420 3.011 20 5 EGBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000195334631 276722423 /nfs/dbraw/zinc/72/24/23/276722423.db2.gz ONETWKLLABFQDS-CYBMUJFWSA-N 1 0 349.460 3.430 20 5 EGBDRO CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])c2ccccc2C1 ZINC000366740664 278056707 /nfs/dbraw/zinc/05/67/07/278056707.db2.gz SXDVSZLXKBPNQR-SFHVURJKSA-N 1 0 339.395 3.178 20 5 EGBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000376078336 278349050 /nfs/dbraw/zinc/34/90/50/278349050.db2.gz CWHHADSDIQHDQY-ADEWGFFLSA-N 1 0 340.836 3.288 20 5 EGBDRO Cc1cc(NCc2nnc(C3CC3)s2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000413588339 309038608 /nfs/dbraw/zinc/03/86/08/309038608.db2.gz WBUAKBNZMMQSAL-UHFFFAOYSA-N 1 0 341.396 3.214 20 5 EGBDRO C[NH+](C)CCN(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000063853350 307356077 /nfs/dbraw/zinc/35/60/77/307356077.db2.gz IWUSFHKSTITFOH-UHFFFAOYSA-N 1 0 347.802 3.457 20 5 EGBDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000067724617 307367590 /nfs/dbraw/zinc/36/75/90/307367590.db2.gz BQQRNZYCLKVQSF-OAHLLOKOSA-N 1 0 348.447 3.049 20 5 EGBDRO Cc1c(C(=O)NCC2CC[NH+](CCC(C)C)CC2)cccc1[N+](=O)[O-] ZINC000079655962 307427928 /nfs/dbraw/zinc/42/79/28/307427928.db2.gz STHDVFIMYXOPHG-UHFFFAOYSA-N 1 0 347.459 3.391 20 5 EGBDRO COc1ccc([C@@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)cc1F ZINC000089580985 307449929 /nfs/dbraw/zinc/44/99/29/307449929.db2.gz WAFOPPVFHGJRQM-GFCCVEGCSA-N 1 0 334.347 3.472 20 5 EGBDRO CO[C@@H]1COC[C@@H]1[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000414175582 309064762 /nfs/dbraw/zinc/06/47/62/309064762.db2.gz CKYHSJQXIZGNNN-OSAQELSMSA-N 1 0 348.424 3.388 20 5 EGBDRO C[C@H]([NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])c1ccn(C)n1 ZINC000414197408 309066481 /nfs/dbraw/zinc/06/64/81/309066481.db2.gz WKJSFLMLFFRQAI-ZQIUZPCESA-N 1 0 328.416 3.390 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCOCC1CCOCC1 ZINC000157496870 307846885 /nfs/dbraw/zinc/84/68/85/307846885.db2.gz ZGEIIGIHPUPTCM-HNNXBMFYSA-N 1 0 336.432 3.387 20 5 EGBDRO O=[N+]([O-])c1ccccc1N1CC[NH+](Cc2cccc3[nH]ccc32)CC1 ZINC000160435215 307889687 /nfs/dbraw/zinc/88/96/87/307889687.db2.gz RRLRQAHYBIUQRU-UHFFFAOYSA-N 1 0 336.395 3.398 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@H]1CCO ZINC000249880050 308029117 /nfs/dbraw/zinc/02/91/17/308029117.db2.gz HLGFFLRBAAPAJD-ONIAQPFYSA-N 1 0 332.444 3.447 20 5 EGBDRO Cc1cc(N2CC[C@@H](C[NH+](C)C)C2)c(Br)cc1[N+](=O)[O-] ZINC000293037789 308092739 /nfs/dbraw/zinc/09/27/39/308092739.db2.gz KMBBANUQDCFMAQ-NSHDSACASA-N 1 0 342.237 3.054 20 5 EGBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[NH2+][C@H]2CCC[C@H]2CCO)c1 ZINC000294174367 308197032 /nfs/dbraw/zinc/19/70/32/308197032.db2.gz QCYCLAHDLMSQBY-HZMBPMFUSA-N 1 0 332.322 3.254 20 5 EGBDRO CC(C)c1ccc(C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)cc1[N+](=O)[O-] ZINC000294180987 308198027 /nfs/dbraw/zinc/19/80/27/308198027.db2.gz PBLZDICBIUBJBT-LJQANCHMSA-N 1 0 345.443 3.276 20 5 EGBDRO O=C(NCCC[C@@H]1CCC[NH2+]1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000294714007 308248913 /nfs/dbraw/zinc/24/89/13/308248913.db2.gz ALJVYOPPJSXCAV-LBPRGKRZSA-N 1 0 333.413 3.072 20 5 EGBDRO Cc1cc(Cl)c(C(=O)NCC[N@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000294746476 308252802 /nfs/dbraw/zinc/25/28/02/308252802.db2.gz CRRVEJDGVAMUFG-NSHDSACASA-N 1 0 339.823 3.018 20 5 EGBDRO C[C@@H]([NH2+]CC1([C@@H](O)c2ccccc2)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294922649 308271921 /nfs/dbraw/zinc/27/19/21/308271921.db2.gz XCGFSTLKVAHVSQ-ACJLOTCBSA-N 1 0 341.411 3.341 20 5 EGBDRO CS[C@H]1CCN(c2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000294975842 308278160 /nfs/dbraw/zinc/27/81/60/308278160.db2.gz LMCXWLHQRGHNBU-AWEZNQCLSA-N 1 0 330.413 3.302 20 5 EGBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000295052142 308285815 /nfs/dbraw/zinc/28/58/15/308285815.db2.gz KDACYDWLXVDFCR-GFCCVEGCSA-N 1 0 339.823 3.098 20 5 EGBDRO C[C@H]1[C@@H](CO)CCC[N@@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000414589464 309090928 /nfs/dbraw/zinc/09/09/28/309090928.db2.gz WWNZZLLCXIDUTN-DZGCQCFKSA-N 1 0 330.384 3.448 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccc(C(C)(C)O)cc1 ZINC000295449330 308327742 /nfs/dbraw/zinc/32/77/42/308327742.db2.gz PIXFKIAXRPUEOX-UHFFFAOYSA-N 1 0 330.384 3.121 20 5 EGBDRO COCCC[NH+]1CCC(Nc2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000295527027 308335801 /nfs/dbraw/zinc/33/58/01/308335801.db2.gz MZQOOBIROWMKIR-UHFFFAOYSA-N 1 0 344.415 3.056 20 5 EGBDRO Cc1nn(C)c2ncc(C[NH2+][C@@H](C)c3ccc([N+](=O)[O-])cc3)cc12 ZINC000296122606 308395870 /nfs/dbraw/zinc/39/58/70/308395870.db2.gz TWIJKNOCSAYUBT-NSHDSACASA-N 1 0 325.372 3.036 20 5 EGBDRO CCc1ccccc1[C@H]([NH3+])CNC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000414659032 309094212 /nfs/dbraw/zinc/09/42/12/309094212.db2.gz MIDJSFGKQGCDLE-MRXNPFEDSA-N 1 0 342.399 3.287 20 5 EGBDRO O=[N+]([O-])c1cc(CNC[C@@H]2CCC[NH2+]2)ccc1Oc1ccc(F)cc1 ZINC000414820052 309103618 /nfs/dbraw/zinc/10/36/18/309103618.db2.gz ABVBLOAXTPBEKA-HNNXBMFYSA-N 1 0 345.374 3.368 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1ccc(CN2CC[C@@H]3C[NH2+]C[C@@H]32)s1 ZINC000414786236 309101156 /nfs/dbraw/zinc/10/11/56/309101156.db2.gz JSXGAKHDUUFDFO-WBMJQRKESA-N 1 0 329.425 3.117 20 5 EGBDRO CC(C)[NH+]1CCC(N(C)c2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000301556153 308705061 /nfs/dbraw/zinc/70/50/61/308705061.db2.gz WRTZDVLIQIGQQF-UHFFFAOYSA-N 1 0 328.416 3.452 20 5 EGBDRO C[NH+](C)[C@H](CNc1cc(Br)ccc1[N+](=O)[O-])C1CC1 ZINC000301983557 308723978 /nfs/dbraw/zinc/72/39/78/308723978.db2.gz KCOOFPHTZYUNPG-CYBMUJFWSA-N 1 0 328.210 3.109 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000313345432 308765107 /nfs/dbraw/zinc/76/51/07/308765107.db2.gz BMIKXZDZNZPUCC-QGZVFWFLSA-N 1 0 331.803 3.395 20 5 EGBDRO Cc1noc(C)c1C(C)(C)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411733583 308950820 /nfs/dbraw/zinc/95/08/20/308950820.db2.gz VYJWPAFKIOGFMT-UHFFFAOYSA-N 1 0 346.387 3.053 20 5 EGBDRO C[C@H]([NH2+][C@H]1CCN(c2ccc(F)cc2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000411769354 308952270 /nfs/dbraw/zinc/95/22/70/308952270.db2.gz KLJUKBDDOWOKGZ-SJCJKPOMSA-N 1 0 343.358 3.190 20 5 EGBDRO CCC[NH+]1CCC(Nc2ncc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000413027310 309012390 /nfs/dbraw/zinc/01/23/90/309012390.db2.gz AJGOFXRFBKCZQV-UHFFFAOYSA-N 1 0 332.326 3.295 20 5 EGBDRO O=[N+]([O-])c1cnc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(C(F)(F)F)c1 ZINC000413060021 309013924 /nfs/dbraw/zinc/01/39/24/309013924.db2.gz IELZNQYTGLZDJJ-ZJUUUORDSA-N 1 0 330.310 3.047 20 5 EGBDRO O=[N+]([O-])c1cnc(NC2CC[NH+](CC3CC3)CC2)c(C(F)(F)F)c1 ZINC000413066089 309014301 /nfs/dbraw/zinc/01/43/01/309014301.db2.gz HCBIVUZTONPIAC-UHFFFAOYSA-N 1 0 344.337 3.295 20 5 EGBDRO C[C@H](Nc1ncc([N+](=O)[O-])cc1F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000413242331 309023187 /nfs/dbraw/zinc/02/31/87/309023187.db2.gz UNAKITDNTNXZHF-ZFWWWQNUSA-N 1 0 344.390 3.451 20 5 EGBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1ccc([N+](=O)[O-])c2ncccc12 ZINC000413276677 309024711 /nfs/dbraw/zinc/02/47/11/309024711.db2.gz CTBWOBQHRSPGHO-ZIAGYGMSSA-N 1 0 326.400 3.206 20 5 EGBDRO O=[N+]([O-])c1ccc(CN[C@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000414955733 309111327 /nfs/dbraw/zinc/11/13/27/309111327.db2.gz UKZDOXVZWBTQNE-YJBOKZPZSA-N 1 0 347.365 3.108 20 5 EGBDRO CC1(C)C[NH2+]CC[C@H]1NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000414983285 309112768 /nfs/dbraw/zinc/11/27/68/309112768.db2.gz ZHWCYCZBRYRLBL-OAHLLOKOSA-N 1 0 346.456 3.196 20 5 EGBDRO C[C@H]([NH3+])[C@H](C)NCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000415019170 309114639 /nfs/dbraw/zinc/11/46/39/309114639.db2.gz RPULTQNCJGRMNR-KBPBESRZSA-N 1 0 328.416 3.188 20 5 EGBDRO [NH3+]CC[C@@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(F)(F)F ZINC000415057308 309117323 /nfs/dbraw/zinc/11/73/23/309117323.db2.gz PUJXIKIBCNQPIQ-CQSZACIVSA-N 1 0 343.305 3.224 20 5 EGBDRO CC(C)[C@@](C)(C[NH3+])NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000415447357 309133730 /nfs/dbraw/zinc/13/37/30/309133730.db2.gz UHZYFIKDMKEXTN-CYBMUJFWSA-N 1 0 348.325 3.109 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N(CC[NH3+])Cc1ccccc1 ZINC000415586082 309137523 /nfs/dbraw/zinc/13/75/23/309137523.db2.gz VECUDSQHLGDMAF-UHFFFAOYSA-N 1 0 342.399 3.204 20 5 EGBDRO NC(=O)c1cccc(C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000417324135 309201715 /nfs/dbraw/zinc/20/17/15/309201715.db2.gz PQSUEAZMCKVQJK-SFHVURJKSA-N 1 0 339.395 3.251 20 5 EGBDRO CCNC(=O)C1(C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CCC1 ZINC000417338080 309202295 /nfs/dbraw/zinc/20/22/95/309202295.db2.gz YAXAIHBHPDVRBP-KRWDZBQOSA-N 1 0 345.443 3.258 20 5 EGBDRO CC(C)(NC(=O)N[C@H](C[NH3+])C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000418368187 309244330 /nfs/dbraw/zinc/24/43/30/309244330.db2.gz RJVGKRTYMRPVGM-MRXNPFEDSA-N 1 0 348.447 3.037 20 5 EGBDRO C[C@H](CCCC[NH3+])NC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000418714368 309254416 /nfs/dbraw/zinc/25/44/16/309254416.db2.gz XZALXWVLQODIMC-GDBMZVCRSA-N 1 0 348.447 3.001 20 5 EGBDRO CCCN1C[C@@H](C[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1=O ZINC000421349711 309319563 /nfs/dbraw/zinc/31/95/63/309319563.db2.gz JRWRSUTYJDKHTP-OAHLLOKOSA-N 1 0 333.432 3.066 20 5 EGBDRO NC(=O)CC1(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000421347808 309319602 /nfs/dbraw/zinc/31/96/02/309319602.db2.gz DFJSUXVDARYXIT-UHFFFAOYSA-N 1 0 345.424 3.069 20 5 EGBDRO CN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@H]1CCC[N@@H+]1C ZINC000421406917 309323437 /nfs/dbraw/zinc/32/34/37/309323437.db2.gz IEAAFQWHOOLNAD-MRXNPFEDSA-N 1 0 329.400 3.381 20 5 EGBDRO CC(C)c1ccc(C(=O)NC2CCC([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000421681106 309334455 /nfs/dbraw/zinc/33/44/55/309334455.db2.gz VYHBSQDUEYTPRG-UHFFFAOYSA-N 1 0 333.432 3.321 20 5 EGBDRO CCC[NH+]1CCC(N(C)C(=O)c2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000421747220 309338199 /nfs/dbraw/zinc/33/81/99/309338199.db2.gz HELKHCVWCVQOFP-UHFFFAOYSA-N 1 0 333.432 3.158 20 5 EGBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)cc2C)C1 ZINC000421772300 309339454 /nfs/dbraw/zinc/33/94/54/309339454.db2.gz GOJDMVQPMKMEFV-HNNXBMFYSA-N 1 0 333.432 3.016 20 5 EGBDRO C[NH+](C)C1CCC(NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000422270665 309360002 /nfs/dbraw/zinc/36/00/02/309360002.db2.gz WXEDHZKLRQXZKJ-UHFFFAOYSA-N 1 0 348.447 3.002 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000422886251 309374078 /nfs/dbraw/zinc/37/40/78/309374078.db2.gz IMTLQUKKWYXBEQ-CYBMUJFWSA-N 1 0 327.384 3.161 20 5 EGBDRO CC(C)c1ccc(C(=O)N(CC[NH3+])Cc2ccccc2)cc1[N+](=O)[O-] ZINC000423571509 309406564 /nfs/dbraw/zinc/40/65/64/309406564.db2.gz XQCZTAQYFHZMAP-UHFFFAOYSA-N 1 0 341.411 3.319 20 5 EGBDRO CC(C)C1(C)CC[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000426783251 309516329 /nfs/dbraw/zinc/51/63/29/309516329.db2.gz KHBPXCBGJPYVEU-OAHLLOKOSA-N 1 0 336.432 3.093 20 5 EGBDRO O=C(C[C@H]1CC[NH2+]C1)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000427387353 309528125 /nfs/dbraw/zinc/52/81/25/309528125.db2.gz QPCQXPAJDVYNLK-CYBMUJFWSA-N 1 0 341.367 3.325 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCn2ccnc2C1 ZINC000427880544 309537379 /nfs/dbraw/zinc/53/73/79/309537379.db2.gz WNSSZRCBEKCGCH-XIRDDKMYSA-N 1 0 340.427 3.107 20 5 EGBDRO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000430813986 309618264 /nfs/dbraw/zinc/61/82/64/309618264.db2.gz HGAVIHYVPIAXNC-SJORKVTESA-N 1 0 347.459 3.154 20 5 EGBDRO O=[N+]([O-])c1cccc2c(N3CC[NH+](C4CCCC4)CC3)ccnc21 ZINC000432312423 309656939 /nfs/dbraw/zinc/65/69/39/309656939.db2.gz JEDYKORIPPPARF-UHFFFAOYSA-N 1 0 326.400 3.208 20 5 EGBDRO C[C@@H](CCN1CCOCC1)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433281104 309684573 /nfs/dbraw/zinc/68/45/73/309684573.db2.gz HJDXZADDTWBSKU-KBXCAEBGSA-N 1 0 347.459 3.018 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](CC(F)(F)F)C(C)C ZINC000445889039 309950924 /nfs/dbraw/zinc/95/09/24/309950924.db2.gz YXGPZGGWLQDIFZ-CYBMUJFWSA-N 1 0 347.337 3.408 20 5 EGBDRO COCc1ccccc1C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447544584 309981703 /nfs/dbraw/zinc/98/17/03/309981703.db2.gz UVXGYWMKDHMADZ-IRXDYDNUSA-N 1 0 344.415 3.211 20 5 EGBDRO CCOc1ccc(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000447545447 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329.400 3.498 20 5 EGBDRO COc1ccc(OC)c(CC[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000449102105 310037121 /nfs/dbraw/zinc/03/71/21/310037121.db2.gz WZBLIHIUIPZKBD-CQSZACIVSA-N 1 0 344.411 3.375 20 5 EGBDRO CC(C)c1noc(CCC[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])n1 ZINC000449123469 310038783 /nfs/dbraw/zinc/03/87/83/310038783.db2.gz MZVJLDLPEAURDC-CYBMUJFWSA-N 1 0 332.404 3.255 20 5 EGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)C(=O)Nc1ccccc1 ZINC000449149599 310040506 /nfs/dbraw/zinc/04/05/06/310040506.db2.gz XLDXYOHNIVKINL-ZIAGYGMSSA-N 1 0 327.384 3.143 20 5 EGBDRO C[NH2+][C@@H](CC(C)(C)C)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000449168522 310041959 /nfs/dbraw/zinc/04/19/59/310041959.db2.gz AYPZMZYAFUDOLW-INIZCTEOSA-N 1 0 333.432 3.110 20 5 EGBDRO CCc1ccc([C@H](CO)[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000449217189 310045232 /nfs/dbraw/zinc/04/52/32/310045232.db2.gz XPCIJPONCGTCAU-KSSFIOAISA-N 1 0 328.412 3.411 20 5 EGBDRO Cc1ccccc1C[C@H](CO)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] 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CXHBPGJANKJGAJ-JSGCOSHPSA-N 1 0 333.432 3.140 20 5 EGBDRO CC(C)(C)O[C@@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])[C@H]1n1cccn1 ZINC000449652138 310077667 /nfs/dbraw/zinc/07/76/67/310077667.db2.gz ARMPHUMTQSPZLD-USXIJHARSA-N 1 0 344.415 3.078 20 5 EGBDRO COCC1(C[NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)CCCC1 ZINC000449742282 310083691 /nfs/dbraw/zinc/08/36/91/310083691.db2.gz NZIORPLJLLUVOX-AWEZNQCLSA-N 1 0 349.431 3.108 20 5 EGBDRO NC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000449745036 310083943 /nfs/dbraw/zinc/08/39/43/310083943.db2.gz LCJBVVNUOWGHCD-OLZOCXBDSA-N 1 0 345.424 3.067 20 5 EGBDRO Cc1nc(NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)ncc1[N+](=O)[O-] ZINC000450339022 310116425 /nfs/dbraw/zinc/11/64/25/310116425.db2.gz NIJYWUINGWRHAV-AWEZNQCLSA-N 1 0 341.415 3.331 20 5 EGBDRO Cc1ccccc1[C@H]([C@@H](C)Nc1ncc([N+](=O)[O-])c(C)n1)[NH+](C)C ZINC000450537344 310128859 /nfs/dbraw/zinc/12/88/59/310128859.db2.gz XADGBPOHCRLMNX-CJNGLKHVSA-N 1 0 329.404 3.105 20 5 EGBDRO Cc1cc(N(C)C2CC[NH+](CCC(F)(F)F)CC2)ncc1[N+](=O)[O-] ZINC000450949325 310151657 /nfs/dbraw/zinc/15/16/57/310151657.db2.gz JKWNZTJYNMKNTP-UHFFFAOYSA-N 1 0 346.353 3.151 20 5 EGBDRO COc1ccncc1C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451542863 310184119 /nfs/dbraw/zinc/18/41/19/310184119.db2.gz ALIZIXYYKCRNIE-HNNXBMFYSA-N 1 0 327.384 3.378 20 5 EGBDRO Cc1noc(CCC[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000451548804 310185215 /nfs/dbraw/zinc/18/52/15/310185215.db2.gz OLWUROYFZVKHCW-HNNXBMFYSA-N 1 0 330.388 3.098 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](Cc3ccc(CO)cc3)C2)cc1 ZINC000451550456 310185665 /nfs/dbraw/zinc/18/56/65/310185665.db2.gz RTULKHQDNGWGIN-GOSISDBHSA-N 1 0 326.396 3.467 20 5 EGBDRO CO[C@H]1CCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@@H]1C ZINC000451566328 310186835 /nfs/dbraw/zinc/18/68/35/310186835.db2.gz MAQSPVLKODCDNQ-HZMBPMFUSA-N 1 0 332.322 3.470 20 5 EGBDRO C[C@H](NC(=O)c1ccccc1C[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000452577311 310233010 /nfs/dbraw/zinc/23/30/10/310233010.db2.gz XSKSETJLPGUOQY-ZDUSSCGKSA-N 1 0 327.384 3.147 20 5 EGBDRO CC(C)[C@@H]1[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC12CCCC2 ZINC000453039667 310253796 /nfs/dbraw/zinc/25/37/96/310253796.db2.gz OSDMJTKQGUPPHJ-QAPCUYQASA-N 1 0 348.443 3.235 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H](O)Cc1cccc(F)c1)CCC2 ZINC000453226393 310265249 /nfs/dbraw/zinc/26/52/49/310265249.db2.gz XRLVZACTRGHVLZ-PKOBYXMFSA-N 1 0 344.386 3.305 20 5 EGBDRO C[C@H](CNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](C)C1 ZINC000454513799 310314061 /nfs/dbraw/zinc/31/40/61/310314061.db2.gz RGXSHEPNIGDOPA-ZNMIVQPWSA-N 1 0 348.447 3.075 20 5 EGBDRO C[C@H](NC(=O)NC(C)(C)CCC[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000458883571 310524780 /nfs/dbraw/zinc/52/47/80/310524780.db2.gz CQJVGMCJVWOXLC-ZDUSSCGKSA-N 1 0 336.436 3.075 20 5 EGBDRO CCO[C@@H]1C[C@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1SC ZINC000459467366 310554677 /nfs/dbraw/zinc/55/46/77/310554677.db2.gz RVPZLHNUUAITLF-CFVMTHIKSA-N 1 0 344.864 3.289 20 5 EGBDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000459792966 310575760 /nfs/dbraw/zinc/57/57/60/310575760.db2.gz VCPDUWYFIPRQHL-MMMKDXCPSA-N 1 0 328.372 3.484 20 5 EGBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](C)CC(F)(F)F ZINC000468053168 310681813 /nfs/dbraw/zinc/68/18/13/310681813.db2.gz WZTYZWSJPRQLEN-UWVGGRQHSA-N 1 0 333.310 3.242 20 5 EGBDRO COc1cccc(NC[C@H](Cc2ccccc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000475454640 310812659 /nfs/dbraw/zinc/81/26/59/310812659.db2.gz YYZZJQKUQRPJIS-HNNXBMFYSA-N 1 0 329.400 3.188 20 5 EGBDRO Cc1c(C[NH2+][C@H](C)CC(=O)N(C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000478509006 310860117 /nfs/dbraw/zinc/86/01/17/310860117.db2.gz XRPYJFVOFQPGFD-CQSZACIVSA-N 1 0 341.411 3.434 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H](CO)Cc1ccc(F)cc1 ZINC000480485762 310895284 /nfs/dbraw/zinc/89/52/84/310895284.db2.gz FIUTZSHYWZSHKZ-GIIHOQTISA-N 1 0 344.386 3.330 20 5 EGBDRO CCN1C[C@@H](C)[C@@H]([NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000487208192 311016171 /nfs/dbraw/zinc/01/61/71/311016171.db2.gz HCVBLOAVAVZZTD-YGRLFVJLSA-N 1 0 331.338 3.043 20 5 EGBDRO Cc1ccc([C@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000488040266 311048565 /nfs/dbraw/zinc/04/85/65/311048565.db2.gz FPVXMFAVASOKCR-AWEZNQCLSA-N 1 0 333.432 3.201 20 5 EGBDRO C[N@H+](CCNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000488820707 311081252 /nfs/dbraw/zinc/08/12/52/311081252.db2.gz UPFLPEWGQPFUID-UHFFFAOYSA-N 1 0 348.447 3.004 20 5 EGBDRO O=C(/C=C\c1ccccc1[N+](=O)[O-])NC1CC[NH+](C2CCCC2)CC1 ZINC000492094626 311216115 /nfs/dbraw/zinc/21/61/15/311216115.db2.gz JSTDEFQISZHDOC-KTKRTIGZSA-N 1 0 343.427 3.131 20 5 EGBDRO CCOc1ccc([C@H](C)[NH2+]CCN2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000504893846 312012210 /nfs/dbraw/zinc/01/22/10/312012210.db2.gz INNFGFRQBRPACD-CABCVRRESA-N 1 0 335.448 3.376 20 5 EGBDRO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C[C@@H]1COc2ccccc2O1 ZINC000506767304 312054075 /nfs/dbraw/zinc/05/40/75/312054075.db2.gz MKBZKKIOQQTIFL-IQIBNGDESA-N 1 0 340.379 3.380 20 5 EGBDRO CN(C(=O)C[N@H+](C)CCC1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000507597494 312078804 /nfs/dbraw/zinc/07/88/04/312078804.db2.gz HNFFRVRXJPZBQZ-UHFFFAOYSA-N 1 0 333.432 3.460 20 5 EGBDRO CCOC(=O)C(C)(C)C1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000510905272 312150360 /nfs/dbraw/zinc/15/03/60/312150360.db2.gz OQBPSPYDWLQPSO-UHFFFAOYSA-N 1 0 348.443 3.439 20 5 EGBDRO C[C@H](C(=O)NC[C@@H](c1cccs1)[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000514770846 312244246 /nfs/dbraw/zinc/24/42/46/312244246.db2.gz RAMHVLYNTXWNHC-WFASDCNBSA-N 1 0 347.440 3.179 20 5 EGBDRO COCCC1(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CCCC1 ZINC000515166662 312268833 /nfs/dbraw/zinc/26/88/33/312268833.db2.gz YZBZNRFDGZZJDS-UHFFFAOYSA-N 1 0 349.431 3.110 20 5 EGBDRO C[C@H](C(=O)N1CC[NH+](CCC(C)(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000515265619 312273770 /nfs/dbraw/zinc/27/37/70/312273770.db2.gz KIIOKGLNHQTDOD-HNNXBMFYSA-N 1 0 347.459 3.279 20 5 EGBDRO CCO[C@H]1C[C@H]([NH2+]CCOc2ccccc2[N+](=O)[O-])C12CCCC2 ZINC000516346744 312320657 /nfs/dbraw/zinc/32/06/57/312320657.db2.gz ICQOHACJPXKJCN-IRXDYDNUSA-N 1 0 334.416 3.301 20 5 EGBDRO CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000516937261 312352477 /nfs/dbraw/zinc/35/24/77/312352477.db2.gz AQDRUMZTLYNKRV-KQDPCCAVSA-N 1 0 336.457 3.252 20 5 EGBDRO CC(C)(C)C1=CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000535375596 314043149 /nfs/dbraw/zinc/04/31/49/314043149.db2.gz PLPAHPFQTQNDTA-MRXNPFEDSA-N 1 0 334.416 3.013 20 5 EGBDRO Cc1ccc(C[N@H+](C)Cc2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] ZINC000535781480 314074113 /nfs/dbraw/zinc/07/41/13/314074113.db2.gz FQISCSNBOVMBFX-UHFFFAOYSA-N 1 0 328.368 3.306 20 5 EGBDRO C[C@@H](O)C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000536649127 314134130 /nfs/dbraw/zinc/13/41/30/314134130.db2.gz GAQVOVMPAVOBKV-MRDWYFFCSA-N 1 0 326.396 3.491 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000538761286 314274055 /nfs/dbraw/zinc/27/40/55/314274055.db2.gz VGAZJNQWSURRIT-SWLSCSKDSA-N 1 0 347.459 3.370 20 5 EGBDRO Cc1ccc(CC[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)o1 ZINC000539438878 314314073 /nfs/dbraw/zinc/31/40/73/314314073.db2.gz ONLILLZINVGCGI-UHFFFAOYSA-N 1 0 340.383 3.229 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@]1(C)CCO[C@@H]1C1CC1 ZINC000543237259 314615353 /nfs/dbraw/zinc/61/53/53/314615353.db2.gz WHEAJZXNFFTZBI-MSOLQXFVSA-N 1 0 334.416 3.429 20 5 EGBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)CC[N@H+](C)C1CCCCC1 ZINC000548389606 315003052 /nfs/dbraw/zinc/00/30/52/315003052.db2.gz OTNIXARTEVHYCY-UHFFFAOYSA-N 1 0 333.432 3.208 20 5 EGBDRO CCC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000548487988 315016041 /nfs/dbraw/zinc/01/60/41/315016041.db2.gz KQNNHIVZRGWGST-UKRRQHHQSA-N 1 0 349.431 3.490 20 5 EGBDRO CC[C@H]1CCCCN1C(=O)[C@@H](C)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000549157783 315078926 /nfs/dbraw/zinc/07/89/26/315078926.db2.gz NPSGPWSLSQKJKA-WBVHZDCISA-N 1 0 347.459 3.249 20 5 EGBDRO CCC[C@@H](C)C(=O)NCC[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000551222790 315145786 /nfs/dbraw/zinc/14/57/86/315145786.db2.gz MGORTFXTWMQGQX-DYVFJYSZSA-N 1 0 347.459 3.459 20 5 EGBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H](O)Cc1cccc(Cl)c1 ZINC000553906171 315287843 /nfs/dbraw/zinc/28/78/43/315287843.db2.gz DPZKGMBVMGXJMH-GOSISDBHSA-N 1 0 348.830 3.326 20 5 EGBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000555312036 315378328 /nfs/dbraw/zinc/37/83/28/315378328.db2.gz ASXDPANLGHRNJM-ZBFHGGJFSA-N 1 0 333.432 3.079 20 5 EGBDRO C[C@@H](Nc1ccc([N+](=O)[O-])c(N)c1F)[C@H](c1ccccc1)[NH+](C)C ZINC000558607874 315582716 /nfs/dbraw/zinc/58/27/16/315582716.db2.gz BYWVXDHOSGIIQD-PIGZYNQJSA-N 1 0 332.379 3.419 20 5 EGBDRO C[C@@H](c1nc(CC23CCC[NH+]2CCC3)no1)c1cccc([N+](=O)[O-])c1 ZINC000563679487 316054830 /nfs/dbraw/zinc/05/48/30/316054830.db2.gz QDMIIRZZKRRYLF-CYBMUJFWSA-N 1 0 342.399 3.301 20 5 EGBDRO C[C@H](C(=O)N1CCC(CCC[NH+](C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000565925731 316388343 /nfs/dbraw/zinc/38/83/43/316388343.db2.gz GJXHAAPBQPELQF-HNNXBMFYSA-N 1 0 347.459 3.279 20 5 EGBDRO Cc1ccccc1C[C@@H](CO)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000570744654 317101065 /nfs/dbraw/zinc/10/10/65/317101065.db2.gz NTDIFHUYFBUITE-WBVHZDCISA-N 1 0 328.412 3.466 20 5 EGBDRO CC(C)c1ccc(C[NH2+][C@H]2CCN(C(C)(C)C)C2=O)cc1[N+](=O)[O-] ZINC000572157320 317299413 /nfs/dbraw/zinc/29/94/13/317299413.db2.gz PGDLGZLPAVORKQ-HNNXBMFYSA-N 1 0 333.432 3.207 20 5 EGBDRO C[C@H](C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1cccs1 ZINC000572393750 317332545 /nfs/dbraw/zinc/33/25/45/317332545.db2.gz WBDCCFVYUAMFCW-ZDUSSCGKSA-N 1 0 347.440 3.453 20 5 EGBDRO C[N@@H+]1CCCC12CCN(c1nccc3cc([N+](=O)[O-])ccc31)CC2 ZINC000572711178 317379039 /nfs/dbraw/zinc/37/90/39/317379039.db2.gz YUNPHTFEDORNCF-UHFFFAOYSA-N 1 0 326.400 3.208 20 5 EGBDRO COc1cc(C[N@H+](C)C(C)(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000572758252 317387371 /nfs/dbraw/zinc/38/73/71/317387371.db2.gz DMAYJRCVSSHWQR-UHFFFAOYSA-N 1 0 332.347 3.478 20 5 EGBDRO Cc1cc(NC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000193532779 323838535 /nfs/dbraw/zinc/83/85/35/323838535.db2.gz YJRQMPOJFSGHPM-KRWDZBQOSA-N 1 0 342.399 3.328 20 5 EGBDRO CCC[C@@]1([NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])CCOC1 ZINC000381099130 324244798 /nfs/dbraw/zinc/24/47/98/324244798.db2.gz GOGJLZQVEFGREZ-CQSZACIVSA-N 1 0 343.221 3.406 20 5 EGBDRO Cc1cc(Br)cc([N+](=O)[O-])c1OCC[C@H]1CC[NH2+]C1 ZINC000396667043 324293969 /nfs/dbraw/zinc/29/39/69/324293969.db2.gz WONKNVMLZUBFQQ-SNVBAGLBSA-N 1 0 329.194 3.044 20 5 EGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CC[C@@H]1COc2ccccc2O1 ZINC000576597171 324646651 /nfs/dbraw/zinc/64/66/51/324646651.db2.gz JTZTUSWHDLOZKB-CJNGLKHVSA-N 1 0 340.379 3.402 20 5 EGBDRO CN(CCC[NH3+])Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000579230751 325080599 /nfs/dbraw/zinc/08/05/99/325080599.db2.gz VVWSOAWBCMLCNX-UHFFFAOYSA-N 1 0 328.416 3.143 20 5 EGBDRO CCOc1cc(C[N@@H+]2CC[C@H](c3cccnc3)C2)ccc1[N+](=O)[O-] ZINC000580643964 325277777 /nfs/dbraw/zinc/27/77/77/325277777.db2.gz FOMPJXFFIVZOII-INIZCTEOSA-N 1 0 327.384 3.378 20 5 EGBDRO CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000581210058 325341776 /nfs/dbraw/zinc/34/17/76/325341776.db2.gz VFFUKWOPAWNTPS-PBHICJAKSA-N 1 0 333.432 3.031 20 5 EGBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]C2Cc3ccccc3C2)n1 ZINC000583479945 325527484 /nfs/dbraw/zinc/52/74/84/325527484.db2.gz RLWZPGLVHUUXPL-IRXDYDNUSA-N 1 0 326.400 3.032 20 5 EGBDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000338420319 456807563 /nfs/dbraw/zinc/80/75/63/456807563.db2.gz DMSMYIDOXUKCOO-GFCCVEGCSA-N 1 0 325.434 3.041 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCn3ccnc3)o2)c(Cl)c1 ZINC000237816072 455222669 /nfs/dbraw/zinc/22/26/69/455222669.db2.gz QPYZLQFOVWCZBZ-UHFFFAOYSA-N 1 0 346.774 3.495 20 5 EGBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCCC[C@@H]2c2cc3ccccc3[nH]2)c1 ZINC000157963039 455253971 /nfs/dbraw/zinc/25/39/71/455253971.db2.gz ANWWXLVLRGNDAX-GOSISDBHSA-N 1 0 339.399 3.500 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@@H]3CCC[C@H]3CCO)cs2)c1 ZINC000189925551 455254424 /nfs/dbraw/zinc/25/44/24/455254424.db2.gz WAAITMKUZPSYRB-BLLLJJGKSA-N 1 0 347.440 3.359 20 5 EGBDRO CC[NH+](CC)[C@H](CNC(=O)c1cc(C)ccc1[N+](=O)[O-])c1ccco1 ZINC000173285995 455259259 /nfs/dbraw/zinc/25/92/59/455259259.db2.gz BUDVMWOKEBBQBF-MRXNPFEDSA-N 1 0 345.399 3.309 20 5 EGBDRO CCNC(=O)c1ccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000173323252 455266114 /nfs/dbraw/zinc/26/61/14/455266114.db2.gz URIVGWQWDZPTGD-CYBMUJFWSA-N 1 0 327.384 3.195 20 5 EGBDRO C[C@H]([NH2+][C@@H]1CC(=O)N(c2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000173356553 455272802 /nfs/dbraw/zinc/27/28/02/455272802.db2.gz STTFOXNXFGEDJM-DZGCQCFKSA-N 1 0 325.368 3.051 20 5 EGBDRO C[C@@H]([NH2+]CCc1cccc(C(=O)N(C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000173443369 455284061 /nfs/dbraw/zinc/28/40/61/455284061.db2.gz QQPAIKJMCDGNSL-CQSZACIVSA-N 1 0 341.411 3.190 20 5 EGBDRO CCn1cnnc1[C@@H]1CCC[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000245531752 455323017 /nfs/dbraw/zinc/32/30/17/455323017.db2.gz UBULCYMRAIZQOH-HUUCEWRRSA-N 1 0 343.431 3.455 20 5 EGBDRO CC[C@@]1([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCOC1 ZINC000616487734 460570535 /nfs/dbraw/zinc/57/05/35/460570535.db2.gz VQABLAFYQMELOL-MRXNPFEDSA-N 1 0 333.413 3.377 20 5 EGBDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000007240592 453048022 /nfs/dbraw/zinc/04/80/22/453048022.db2.gz ISKVNLQUCXVCEM-GFCCVEGCSA-N 1 0 339.823 3.243 20 5 EGBDRO Cc1cnc(C(C)(C)[NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)s1 ZINC000183939765 455341805 /nfs/dbraw/zinc/34/18/05/455341805.db2.gz QAHHSYASDXTXQH-UHFFFAOYSA-N 1 0 348.428 3.213 20 5 EGBDRO CCc1nn(C)c(CC)c1C[NH2+]C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000184063544 455350342 /nfs/dbraw/zinc/35/03/42/455350342.db2.gz XSJUJRMPZCUNHS-UHFFFAOYSA-N 1 0 330.432 3.478 20 5 EGBDRO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cccc(F)c1 ZINC000024107772 453725705 /nfs/dbraw/zinc/72/57/05/453725705.db2.gz XORBZTKQPPIEPJ-MRXNPFEDSA-N 1 0 348.334 3.357 20 5 EGBDRO CC[NH+](CC)Cc1cccc(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000024928644 453751828 /nfs/dbraw/zinc/75/18/28/453751828.db2.gz BPMRSCFPWMFOBN-UHFFFAOYSA-N 1 0 342.399 3.271 20 5 EGBDRO CC[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(C)cc1 ZINC000026712694 453804185 /nfs/dbraw/zinc/80/41/85/453804185.db2.gz GEVSJNSBJNCCTL-MJGOQNOKSA-N 1 0 344.411 3.384 20 5 EGBDRO CC(C)(CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCCCC1 ZINC000027412761 453816830 /nfs/dbraw/zinc/81/68/30/453816830.db2.gz QTFKAFJDLFAABE-UHFFFAOYSA-N 1 0 339.823 3.243 20 5 EGBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000027753995 453820147 /nfs/dbraw/zinc/82/01/47/453820147.db2.gz NXLGLBLWKNAWGA-GFCCVEGCSA-N 1 0 347.440 3.414 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)CCCc1ccccc1 ZINC000052802447 453845051 /nfs/dbraw/zinc/84/50/51/453845051.db2.gz SYMSWPIIVLBNRB-UHFFFAOYSA-N 1 0 341.411 3.406 20 5 EGBDRO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000066472866 453847979 /nfs/dbraw/zinc/84/79/79/453847979.db2.gz BFKZMJUQSVRDLI-GDBMZVCRSA-N 1 0 333.432 3.112 20 5 EGBDRO C[C@H](C1CC1)[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000031654248 453850926 /nfs/dbraw/zinc/85/09/26/453850926.db2.gz RMIKUEWVSIPDSP-SNVBAGLBSA-N 1 0 337.807 3.450 20 5 EGBDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1)CC(F)(F)F ZINC000081558278 453885923 /nfs/dbraw/zinc/88/59/23/453885923.db2.gz FMGDFLCPSSIENT-ZDUSSCGKSA-N 1 0 345.365 3.301 20 5 EGBDRO CCN(C[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1)CC(F)(F)F ZINC000081557110 453886556 /nfs/dbraw/zinc/88/65/56/453886556.db2.gz TURKLQFMHIODIG-CQSZACIVSA-N 1 0 345.365 3.301 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000067209408 453911125 /nfs/dbraw/zinc/91/11/25/453911125.db2.gz CYELJGHQCSIZCR-KRWDZBQOSA-N 1 0 345.374 3.075 20 5 EGBDRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)c1ccco1 ZINC000067274332 453916469 /nfs/dbraw/zinc/91/64/69/453916469.db2.gz CFGGHURNIDZKAL-HNNXBMFYSA-N 1 0 349.362 3.140 20 5 EGBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000054226731 453917703 /nfs/dbraw/zinc/91/77/03/453917703.db2.gz ZJSQUUKVRZLPMN-HOCLYGCPSA-N 1 0 339.395 3.160 20 5 EGBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000075958001 453942485 /nfs/dbraw/zinc/94/24/85/453942485.db2.gz JRDIEXQTUJIRHI-MRXNPFEDSA-N 1 0 332.404 3.077 20 5 EGBDRO C[N@H+](CCc1cccs1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000075966763 453943538 /nfs/dbraw/zinc/94/35/38/453943538.db2.gz VCRCLRIIXBGTJJ-UHFFFAOYSA-N 1 0 334.397 3.197 20 5 EGBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](c3ccccc3)C2)c2c(c1)COCO2 ZINC000084525541 453994775 /nfs/dbraw/zinc/99/47/75/453994775.db2.gz GTRLINSZSVDOQA-OAHLLOKOSA-N 1 0 340.379 3.451 20 5 EGBDRO Cc1cc(C(=O)N2CC[NH+](CCC(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000056042996 454034642 /nfs/dbraw/zinc/03/46/42/454034642.db2.gz OLEKHFBUEWQPKC-UHFFFAOYSA-N 1 0 333.432 3.097 20 5 EGBDRO CC(C)(C)CC[NH+]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000056356211 454054242 /nfs/dbraw/zinc/05/42/42/454054242.db2.gz PDFHEKCCOAIBDZ-UHFFFAOYSA-N 1 0 334.420 3.181 20 5 EGBDRO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](C)CC2)c([N+](=O)[O-])c1 ZINC000068830403 454058556 /nfs/dbraw/zinc/05/85/56/454058556.db2.gz VPOOKWLBELCGFL-OLZOCXBDSA-N 1 0 335.404 3.052 20 5 EGBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000087188433 454068288 /nfs/dbraw/zinc/06/82/88/454068288.db2.gz QBNRQXNOXAAVKJ-OWCLPIDISA-N 1 0 347.459 3.010 20 5 EGBDRO CC[NH+]1CCC(CNC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 ZINC000057000389 454095090 /nfs/dbraw/zinc/09/50/90/454095090.db2.gz MOUUHSYCOJBDML-UHFFFAOYSA-N 1 0 347.459 3.354 20 5 EGBDRO COCCOc1ccc([C@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])cc1 ZINC000089512180 454157500 /nfs/dbraw/zinc/15/75/00/454157500.db2.gz PGHUCCFFZOAHSN-AWEZNQCLSA-N 1 0 330.384 3.471 20 5 EGBDRO Cc1c(NC(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000045960160 454201181 /nfs/dbraw/zinc/20/11/81/454201181.db2.gz OZDQCAAREGXWOH-QWHCGFSZSA-N 1 0 334.420 3.288 20 5 EGBDRO C[NH+]1CCC(Oc2ccc(NCc3ccccc3[N+](=O)[O-])cn2)CC1 ZINC000160094963 455428475 /nfs/dbraw/zinc/42/84/75/455428475.db2.gz CZVJGPWPCQYEQP-UHFFFAOYSA-N 1 0 342.399 3.075 20 5 EGBDRO CC[NH+](CC)Cc1ccc(C(=O)NCc2ccccc2[N+](=O)[O-])cc1 ZINC000046147720 454223217 /nfs/dbraw/zinc/22/32/17/454223217.db2.gz AVNYZUHAUYUFFC-UHFFFAOYSA-N 1 0 341.411 3.367 20 5 EGBDRO Cc1c([C@H](C)[NH2+]CCCN2C[C@@H](C)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000119917697 454236027 /nfs/dbraw/zinc/23/60/27/454236027.db2.gz DRFVMXBQJXHBTQ-LZWOXQAQSA-N 1 0 335.448 3.053 20 5 EGBDRO Cc1ccoc1C(=O)NCCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000090061121 454270376 /nfs/dbraw/zinc/27/03/76/454270376.db2.gz JCOMBCKCCPRWKV-CQSZACIVSA-N 1 0 345.399 3.275 20 5 EGBDRO CCOc1ccc(NC(=O)C[N@H+](CC)[C@H](C)C(C)C)c([N+](=O)[O-])c1 ZINC000120227465 454274474 /nfs/dbraw/zinc/27/44/74/454274474.db2.gz HATLJAYBLSKUEC-CYBMUJFWSA-N 1 0 337.420 3.298 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CC[C@H]([NH+]3CCCC3)C2)nc1-c1ccccc1 ZINC000090089437 454277030 /nfs/dbraw/zinc/27/70/30/454277030.db2.gz RAGFVJCPSKROBD-INIZCTEOSA-N 1 0 338.411 3.331 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1C[C@@H](C)S[C@H](C)C1 ZINC000072770143 454337350 /nfs/dbraw/zinc/33/73/50/454337350.db2.gz SOOHSCXSNNAGRM-CHWSQXEVSA-N 1 0 337.445 3.058 20 5 EGBDRO CC[C@@H](CSC)[N@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000091098150 454383783 /nfs/dbraw/zinc/38/37/83/454383783.db2.gz PRUWRTPZOQGNAP-LBPRGKRZSA-N 1 0 336.417 3.218 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000063582856 454425377 /nfs/dbraw/zinc/42/53/77/454425377.db2.gz ADTSAHQWGQIGFZ-UHFFFAOYSA-N 1 0 333.432 3.096 20 5 EGBDRO CC[NH+](CC)CC1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000048236151 454460261 /nfs/dbraw/zinc/46/02/61/454460261.db2.gz HHPORKAOHSSNKR-UHFFFAOYSA-N 1 0 334.420 3.181 20 5 EGBDRO O=C(CC[N@@H+]1CCc2cc(F)ccc2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000091894302 454485580 /nfs/dbraw/zinc/48/55/80/454485580.db2.gz UOUJACZBLDEUBR-UHFFFAOYSA-N 1 0 343.358 3.121 20 5 EGBDRO CCOCCC[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000102418888 454504387 /nfs/dbraw/zinc/50/43/87/454504387.db2.gz BDTWGFHLTOYTDV-UHFFFAOYSA-N 1 0 334.372 3.380 20 5 EGBDRO Cc1ccc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1[N+](=O)[O-] ZINC000092066436 454511760 /nfs/dbraw/zinc/51/17/60/454511760.db2.gz QSHAKTOSSYRQOZ-AEFFLSMTSA-N 1 0 329.444 3.352 20 5 EGBDRO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000064995332 454522849 /nfs/dbraw/zinc/52/28/49/454522849.db2.gz QENKJDVUSKNVQM-GOEBONIOSA-N 1 0 333.432 3.112 20 5 EGBDRO CCc1ccc([C@@H](COC)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)o1 ZINC000184803314 455450366 /nfs/dbraw/zinc/45/03/66/455450366.db2.gz MYMRODXPZGDARC-MRXNPFEDSA-N 1 0 334.372 3.106 20 5 EGBDRO O=[N+]([O-])c1ccc(C[N@@H+](CCO)[C@H]2CCCc3ccccc32)cc1 ZINC000074312276 454561868 /nfs/dbraw/zinc/56/18/68/454561868.db2.gz NEKLXZGSVLSRPS-IBGZPJMESA-N 1 0 326.396 3.467 20 5 EGBDRO CC[C@H](C)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000104688003 454596587 /nfs/dbraw/zinc/59/65/87/454596587.db2.gz AXXNPQICONOMNG-VIFPVBQESA-N 1 0 344.209 3.026 20 5 EGBDRO COc1ccccc1[C@@H](CNc1cc(C)c([N+](=O)[O-])cn1)[NH+](C)C ZINC000074725884 454625288 /nfs/dbraw/zinc/62/52/88/454625288.db2.gz JUBVHSOUHZKSMQ-OAHLLOKOSA-N 1 0 330.388 3.022 20 5 EGBDRO C[N@H+](CCOc1ccccc1F)CCOc1ccccc1[N+](=O)[O-] ZINC000051500742 454627513 /nfs/dbraw/zinc/62/75/13/454627513.db2.gz UKZYUZIXHXBPIJ-UHFFFAOYSA-N 1 0 334.347 3.124 20 5 EGBDRO Cc1c(C[NH+]2CCC(C(=O)N3CCCCC3)CC2)cccc1[N+](=O)[O-] ZINC000051560540 454630817 /nfs/dbraw/zinc/63/08/17/454630817.db2.gz DATFWBMMSCGPAS-UHFFFAOYSA-N 1 0 345.443 3.128 20 5 EGBDRO CN(CCCC[NH+](C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000080768569 454631629 /nfs/dbraw/zinc/63/16/29/454631629.db2.gz QWESOHGFWRULJS-UHFFFAOYSA-N 1 0 328.800 3.054 20 5 EGBDRO Cc1c(CC(=O)NCCCC[NH+]2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC000161758221 454721223 /nfs/dbraw/zinc/72/12/23/454721223.db2.gz PSTRLNSGNBGVDT-UHFFFAOYSA-N 1 0 347.459 3.074 20 5 EGBDRO Cc1cccc(C(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)c1[N+](=O)[O-] ZINC000124505338 454741294 /nfs/dbraw/zinc/74/12/94/454741294.db2.gz JRTGRJKLVMKNCG-OAHLLOKOSA-N 1 0 333.432 3.001 20 5 EGBDRO CC(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000152920400 454741673 /nfs/dbraw/zinc/74/16/73/454741673.db2.gz RRZHPSRJVGMKRG-AWEZNQCLSA-N 1 0 345.424 3.034 20 5 EGBDRO CCOC(=O)CC[C@@H]1CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000162065151 454748981 /nfs/dbraw/zinc/74/89/81/454748981.db2.gz VCMFOGNOPMNQDU-ZDUSSCGKSA-N 1 0 338.379 3.289 20 5 EGBDRO COc1cccc([C@H]2CCC[N@@H+]2C[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000136897087 454760289 /nfs/dbraw/zinc/76/02/89/454760289.db2.gz LKGAFWOWEFUCII-MOPGFXCFSA-N 1 0 342.395 3.474 20 5 EGBDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000162366769 454770449 /nfs/dbraw/zinc/77/04/49/454770449.db2.gz LALHARBVKFXTKN-CQSZACIVSA-N 1 0 335.448 3.072 20 5 EGBDRO C[C@H]([N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1(C)CC1 ZINC000177228030 454839224 /nfs/dbraw/zinc/83/92/24/454839224.db2.gz RZXXUYZJTLZRLD-JTQLQIEISA-N 1 0 325.796 3.307 20 5 EGBDRO Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)cc1[N+](=O)[O-] ZINC000163706534 454862154 /nfs/dbraw/zinc/86/21/54/454862154.db2.gz KANHPTOUGHEDKH-OAHLLOKOSA-N 1 0 333.432 3.001 20 5 EGBDRO CC[N@H+](CCc1ccccc1)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000154069169 454863128 /nfs/dbraw/zinc/86/31/28/454863128.db2.gz OOQCNLBHRXAWMH-OAHLLOKOSA-N 1 0 341.411 3.486 20 5 EGBDRO CN(c1ccccc1)c1ccc(C[NH2+]CC2(C)COC2)cc1[N+](=O)[O-] ZINC000112711677 454897222 /nfs/dbraw/zinc/89/72/22/454897222.db2.gz SXOMKUJFZFPJMB-UHFFFAOYSA-N 1 0 341.411 3.489 20 5 EGBDRO Cc1cccc([C@H]2CCC[N@@H+]2C[C@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000154466881 454900177 /nfs/dbraw/zinc/90/01/77/454900177.db2.gz CBCFNVUMWOQVFQ-MSOLQXFVSA-N 1 0 327.384 3.169 20 5 EGBDRO CSCC[C@H](C)[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000126584496 454904224 /nfs/dbraw/zinc/90/42/24/454904224.db2.gz LBNKIJIFJMUTTA-ZDUSSCGKSA-N 1 0 339.461 3.305 20 5 EGBDRO CC[NH+](CC)CCCCNC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000112919673 454905954 /nfs/dbraw/zinc/90/59/54/454905954.db2.gz KZTSUBIVAZDXSJ-UHFFFAOYSA-N 1 0 339.461 3.169 20 5 EGBDRO Cc1c([C@@H](C)[NH2+]CCc2nnc3n2CCCCC3)cccc1[N+](=O)[O-] ZINC000126628475 454906346 /nfs/dbraw/zinc/90/63/46/454906346.db2.gz DXMOLSLIOAMNPT-CQSZACIVSA-N 1 0 343.431 3.114 20 5 EGBDRO COC[C@H]1CCC[N@@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000112988892 454909674 /nfs/dbraw/zinc/90/96/74/454909674.db2.gz LQGSUIXZAAPBLQ-OLZOCXBDSA-N 1 0 346.387 3.064 20 5 EGBDRO CC[C@H]([NH2+]Cc1cccnc1-n1cccn1)c1cccc([N+](=O)[O-])c1 ZINC000177905451 454917588 /nfs/dbraw/zinc/91/75/88/454917588.db2.gz TVVBXUDBVMYPLU-KRWDZBQOSA-N 1 0 337.383 3.416 20 5 EGBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C2(c3ccccc3)CCC2)c1 ZINC000170907237 454997803 /nfs/dbraw/zinc/99/78/03/454997803.db2.gz IEHXFIVISYJGPB-KRWDZBQOSA-N 1 0 342.395 3.004 20 5 EGBDRO C[C@@H]1C[C@@H](c2ccccc2)C[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000115554387 455020254 /nfs/dbraw/zinc/02/02/54/455020254.db2.gz QOMQEJWFYWQJQR-GDBMZVCRSA-N 1 0 339.395 3.411 20 5 EGBDRO CCCC[N@H+](C)Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000179868011 455090827 /nfs/dbraw/zinc/09/08/27/455090827.db2.gz ZEQWEWFBLRZFHO-UHFFFAOYSA-N 1 0 332.347 3.479 20 5 EGBDRO COC(=O)C[C@H]1CCC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000179891749 455094720 /nfs/dbraw/zinc/09/47/20/455094720.db2.gz CVLKYNDMTRYACS-CYBMUJFWSA-N 1 0 344.367 3.382 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC(=O)N(C)Cc1ccccc1 ZINC000119100089 455125588 /nfs/dbraw/zinc/12/55/88/455125588.db2.gz SLSZSDCQMALLFI-HNNXBMFYSA-N 1 0 341.411 3.212 20 5 EGBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H](O)c2ccccc2)cc1[N+](=O)[O-] ZINC000152567373 455137524 /nfs/dbraw/zinc/13/75/24/455137524.db2.gz DVTHOMVMNFZWPR-SUMWQHHRSA-N 1 0 330.384 3.378 20 5 EGBDRO C[C@H]([NH2+]Cc1cc(=O)oc2cc(O)ccc12)c1cccc([N+](=O)[O-])c1 ZINC000180423815 455166839 /nfs/dbraw/zinc/16/68/39/455166839.db2.gz DUOVDTHGYQZNLT-NSHDSACASA-N 1 0 340.335 3.258 20 5 EGBDRO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000180443424 455171333 /nfs/dbraw/zinc/17/13/33/455171333.db2.gz MSLFXFIAQPBIFN-KGLIPLIRSA-N 1 0 333.432 3.425 20 5 EGBDRO CSCC[C@@H](C)[N@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000173483053 455290774 /nfs/dbraw/zinc/29/07/74/455290774.db2.gz XZXKOBCWGBPVQA-LLVKDONJSA-N 1 0 336.417 3.218 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCC[C@H]4CCC[C@H]43)n2)cc1 ZINC000245465696 455308758 /nfs/dbraw/zinc/30/87/58/455308758.db2.gz YPKXUQNICOGEDR-IUODEOHRSA-N 1 0 328.372 3.409 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(C(C)C)CC1 ZINC000173587457 455311391 /nfs/dbraw/zinc/31/13/91/455311391.db2.gz CVGTYMBIJDPGOS-UHFFFAOYSA-N 1 0 349.431 3.300 20 5 EGBDRO CC[NH+](CC)CCC[C@H](C)NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000265789042 455382123 /nfs/dbraw/zinc/38/21/23/455382123.db2.gz LMAWUEBPYQHZFM-HNNXBMFYSA-N 1 0 349.475 3.499 20 5 EGBDRO Cc1noc([C@H]2CCCN(Cc3cc(Cl)ccc3[N+](=O)[O-])C2)n1 ZINC000174831247 455416252 /nfs/dbraw/zinc/41/62/52/455416252.db2.gz QVWRTUBMJUJNAB-NSHDSACASA-N 1 0 336.779 3.319 20 5 EGBDRO CCC[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000182177997 455453361 /nfs/dbraw/zinc/45/33/61/455453361.db2.gz KRXORWYVDMDTML-IRXDYDNUSA-N 1 0 344.411 3.466 20 5 EGBDRO CCc1ccc([C@H](COC)[NH2+]CCOc2cccc([N+](=O)[O-])c2)o1 ZINC000184838544 455457457 /nfs/dbraw/zinc/45/74/57/455457457.db2.gz SKZNDKVCTRYRMP-INIZCTEOSA-N 1 0 334.372 3.106 20 5 EGBDRO CCC(C)(C)[C@@H]1CCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182233621 455467816 /nfs/dbraw/zinc/46/78/16/455467816.db2.gz UETZFJMLDHKXRR-YOEHRIQHSA-N 1 0 336.432 3.235 20 5 EGBDRO C[NH+](C)[C@]1(CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)CCSC1 ZINC000267134485 455505835 /nfs/dbraw/zinc/50/58/35/455505835.db2.gz WLMGEFGHKWTESX-AWEZNQCLSA-N 1 0 347.387 3.045 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1C[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000182492552 455524753 /nfs/dbraw/zinc/52/47/53/455524753.db2.gz FOTHYRCQJUFQOQ-LXZKKBNFSA-N 1 0 331.416 3.352 20 5 EGBDRO CCn1cnnc1[C@@H]1CCC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000161293779 455556628 /nfs/dbraw/zinc/55/66/28/455556628.db2.gz CYYWEMGIFKEZES-DZGCQCFKSA-N 1 0 329.404 3.147 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCS[C@H](C)CC1 ZINC000192176448 455569438 /nfs/dbraw/zinc/56/94/38/455569438.db2.gz BATOFTANYQQHFL-CYBMUJFWSA-N 1 0 337.445 3.059 20 5 EGBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1Nc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000271344981 455605163 /nfs/dbraw/zinc/60/51/63/455605163.db2.gz NBEBQTUYKNSCEP-JOYOIKCWSA-N 1 0 327.331 3.091 20 5 EGBDRO C[C@@H](NCc1c(F)cccc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185738059 455610682 /nfs/dbraw/zinc/61/06/82/455610682.db2.gz BXLABLSQRYHUNK-ZIAGYGMSSA-N 1 0 335.423 3.477 20 5 EGBDRO O=[N+]([O-])c1ccc(CN(Cc2cccnc2)C2CC2)c([N+](=O)[O-])c1 ZINC000284030274 455625229 /nfs/dbraw/zinc/62/52/29/455625229.db2.gz IINSHLITEQZWQJ-UHFFFAOYSA-N 1 0 328.328 3.063 20 5 EGBDRO COc1cc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000292310875 455626045 /nfs/dbraw/zinc/62/60/45/455626045.db2.gz OHNPGTXXSRAWGA-LBPRGKRZSA-N 1 0 337.395 3.053 20 5 EGBDRO C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)C1(c2ccccc2)CCCC1 ZINC000185953175 455660990 /nfs/dbraw/zinc/66/09/90/455660990.db2.gz XUXOMDOYMJOSRN-OAHLLOKOSA-N 1 0 328.416 3.281 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1cccnc1-n1cccn1)CCC2 ZINC000192654142 455662205 /nfs/dbraw/zinc/66/22/05/455662205.db2.gz FVSNVWCGKVOHDW-SFHVURJKSA-N 1 0 349.394 3.343 20 5 EGBDRO COCc1cc([N+](=O)[O-])ccc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000292460510 455669426 /nfs/dbraw/zinc/66/94/26/455669426.db2.gz ZYSYFRFUXLVFHY-AWEZNQCLSA-N 1 0 333.432 3.052 20 5 EGBDRO C[N@@H+]1CCC[C@@H]2CN(c3ccc([N+](=O)[O-])c4cnccc43)CC[C@H]21 ZINC000268798528 455714110 /nfs/dbraw/zinc/71/41/10/455714110.db2.gz CTADJMWEHSZARE-CZUORRHYSA-N 1 0 326.400 3.064 20 5 EGBDRO O=C(c1cc2ccccc2c2cccnc12)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000292637425 455718006 /nfs/dbraw/zinc/71/80/06/455718006.db2.gz ZJFUIUCOMSQOQV-HNAYVOBHSA-N 1 0 331.419 3.212 20 5 EGBDRO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3cc4ccccc4c4cccnc34)C[C@H]12 ZINC000248618001 455723588 /nfs/dbraw/zinc/72/35/88/455723588.db2.gz MIBXCVADRFEGQU-ZOCIIQOWSA-N 1 0 331.419 3.197 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]Cc1cnn(CC(F)F)c1 ZINC000292787744 455757322 /nfs/dbraw/zinc/75/73/22/455757322.db2.gz UQYHTNDWLFHPBT-UHFFFAOYSA-N 1 0 344.749 3.042 20 5 EGBDRO C[C@@H]([NH2+][C@@H](C)C(=O)N[C@H]1CCCC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000249774530 455775786 /nfs/dbraw/zinc/77/57/86/455775786.db2.gz VKNKBQQGFQUPOV-LOUJCGABSA-N 1 0 333.432 3.329 20 5 EGBDRO O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)C1CC[NH2+]CC1 ZINC000269070900 455782491 /nfs/dbraw/zinc/78/24/91/455782491.db2.gz SPXQXLMAJOKFGH-UHFFFAOYSA-N 1 0 341.367 3.325 20 5 EGBDRO Cc1cc(C)cc([C@H](O)C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000285153987 455796554 /nfs/dbraw/zinc/79/65/54/455796554.db2.gz MHCXHTDJVMSFQU-FZKQIMNGSA-N 1 0 329.400 3.178 20 5 EGBDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000269295500 455829736 /nfs/dbraw/zinc/82/97/36/455829736.db2.gz POFHTRXDZAOJNQ-CYBMUJFWSA-N 1 0 344.415 3.070 20 5 EGBDRO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285447781 455847825 /nfs/dbraw/zinc/84/78/25/455847825.db2.gz ZIRLNMNYCQYOSY-AADNMHCOSA-N 1 0 331.416 3.175 20 5 EGBDRO COc1cc(C[N@@H+]2CCC[C@](C)(OC)CC2)c([N+](=O)[O-])cc1OC ZINC000280257896 455928440 /nfs/dbraw/zinc/92/84/40/455928440.db2.gz LPELHJFEMLVBJN-KRWDZBQOSA-N 1 0 338.404 3.003 20 5 EGBDRO CSc1ccc(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000285921665 455942427 /nfs/dbraw/zinc/94/24/27/455942427.db2.gz SYOQLVHKJZNLEV-OCCSQVGLSA-N 1 0 349.456 3.016 20 5 EGBDRO C[NH+](C)[C@@H](CNc1ncnc2sc([N+](=O)[O-])cc21)c1ccsc1 ZINC000285998479 455957323 /nfs/dbraw/zinc/95/73/23/455957323.db2.gz DESTUMAQUXBAIT-NSHDSACASA-N 1 0 349.441 3.376 20 5 EGBDRO COc1ccc([C@@H](CNc2ncc([N+](=O)[O-])s2)[NH+]2CCCC2)cc1 ZINC000195505695 455971975 /nfs/dbraw/zinc/97/19/75/455971975.db2.gz POZXEPKKXOILEN-CQSZACIVSA-N 1 0 348.428 3.309 20 5 EGBDRO Cc1ccc([C@H](C)[N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)c(C)c1 ZINC000270555089 455982861 /nfs/dbraw/zinc/98/28/61/455982861.db2.gz IIDGHROMNPGIEP-HNNXBMFYSA-N 1 0 329.400 3.066 20 5 EGBDRO Cc1nccn1CCC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000270572153 455986126 /nfs/dbraw/zinc/98/61/26/455986126.db2.gz BBMPUCKEYTXZHS-UHFFFAOYSA-N 1 0 344.415 3.033 20 5 EGBDRO Cn1ccnc1[C@@H]([NH2+]CC1CCSCC1)c1ccc([N+](=O)[O-])cc1 ZINC000272547120 455989117 /nfs/dbraw/zinc/98/91/17/455989117.db2.gz QLXQQKQOWBVVCW-INIZCTEOSA-N 1 0 346.456 3.151 20 5 EGBDRO CC(C)c1ccc(C(=O)N(C)CC2([NH+](C)C)CCC2)cc1[N+](=O)[O-] ZINC000188141121 456007534 /nfs/dbraw/zinc/00/75/34/456007534.db2.gz RRAUYHVZSPCHNF-UHFFFAOYSA-N 1 0 333.432 3.275 20 5 EGBDRO C[NH+](C)[C@H](CNC(=O)/C=C\c1ccccc1[N+](=O)[O-])c1ccsc1 ZINC000213353568 456023887 /nfs/dbraw/zinc/02/38/87/456023887.db2.gz XLOFFXPKTPKVPL-XITLMJRVSA-N 1 0 345.424 3.089 20 5 EGBDRO CCC[N@@H+](Cc1ccccc1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000216397772 456029716 /nfs/dbraw/zinc/02/97/16/456029716.db2.gz QPKSKLMJJOYXPL-KRWDZBQOSA-N 1 0 344.411 3.247 20 5 EGBDRO C[C@H](NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)C1=CC[N@H+](C)CC1 ZINC000272676035 456036279 /nfs/dbraw/zinc/03/62/79/456036279.db2.gz JXMXEKKEQPYYBV-ZDUSSCGKSA-N 1 0 345.443 3.273 20 5 EGBDRO O=[N+]([O-])c1ccc(CN2CCC[C@H]2[C@H](O)C(F)(F)F)c(Cl)c1 ZINC000272757495 456062139 /nfs/dbraw/zinc/06/21/39/456062139.db2.gz BQVMKIBBOJAABY-RYUDHWBXSA-N 1 0 338.713 3.136 20 5 EGBDRO Cc1nccn1CCCNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000272830520 456083990 /nfs/dbraw/zinc/08/39/90/456083990.db2.gz KZZHXNHJUCFHIZ-UHFFFAOYSA-N 1 0 325.372 3.459 20 5 EGBDRO C[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000226690236 456111788 /nfs/dbraw/zinc/11/17/88/456111788.db2.gz JCCBXPUSDYVILP-IUODEOHRSA-N 1 0 330.363 3.376 20 5 EGBDRO CCOc1ccc([C@@H](C)[NH2+]CCN(C)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000271072862 456117529 /nfs/dbraw/zinc/11/75/29/456117529.db2.gz FTKDMLWMRDTLOZ-LLVKDONJSA-N 1 0 349.353 3.138 20 5 EGBDRO Cc1cc([N+](=O)[O-])cnc1N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000301445091 456118211 /nfs/dbraw/zinc/11/82/11/456118211.db2.gz QJTYKBDHXUSOSJ-QGZVFWFLSA-N 1 0 340.427 3.399 20 5 EGBDRO O=C(c1cc2ccccc2c2cccnc12)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000289719376 456137610 /nfs/dbraw/zinc/13/76/10/456137610.db2.gz CBJWPKNXSYEJOH-HZPDHXFCSA-N 1 0 331.419 3.070 20 5 EGBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2c3ccccc3C[C@@H]2O)cc1[N+](=O)[O-] ZINC000271144785 456139264 /nfs/dbraw/zinc/13/92/64/456139264.db2.gz OZPLEHIPRNLQJT-KHDYIWLOSA-N 1 0 342.395 3.302 20 5 EGBDRO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000281136604 456144147 /nfs/dbraw/zinc/14/41/47/456144147.db2.gz YXKWKZVAMUGQAB-JFIYKMOQSA-N 1 0 348.443 3.379 20 5 EGBDRO CCC[NH+]1CCC(N(C)C(=O)Nc2cc([N+](=O)[O-])ccc2CC)CC1 ZINC000289840075 456151285 /nfs/dbraw/zinc/15/12/85/456151285.db2.gz PPEVTFZFXHQIRO-UHFFFAOYSA-N 1 0 348.447 3.495 20 5 EGBDRO Cc1cc([N+](=O)[O-])cnc1N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000301628508 456167329 /nfs/dbraw/zinc/16/73/29/456167329.db2.gz RQITWUVXGCEORO-HOCLYGCPSA-N 1 0 326.400 3.373 20 5 EGBDRO Cc1nc(NC[C@@H](C)[N@@H+]2CCc3sccc3C2)ccc1[N+](=O)[O-] ZINC000301671593 456181223 /nfs/dbraw/zinc/18/12/23/456181223.db2.gz ZDASTHQRURZPAB-LLVKDONJSA-N 1 0 332.429 3.218 20 5 EGBDRO CCC[N@@H+]1CC[C@H](CNC(=O)Nc2cc([N+](=O)[O-])ccc2CC)C1 ZINC000289923361 456182036 /nfs/dbraw/zinc/18/20/36/456182036.db2.gz VYTQLIHZMJSRNL-CYBMUJFWSA-N 1 0 334.420 3.011 20 5 EGBDRO Cc1c(C(=O)NC[C@@H]([NH3+])c2ccc(C(C)C)cc2)cccc1[N+](=O)[O-] ZINC000236778184 456182822 /nfs/dbraw/zinc/18/28/22/456182822.db2.gz FMPXWPDJJZLSFO-QGZVFWFLSA-N 1 0 341.411 3.456 20 5 EGBDRO Cn1ccnc1C[C@H]1CCCN(c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000301702507 456190901 /nfs/dbraw/zinc/19/09/01/456190901.db2.gz GWKCERLMCHZYNE-GFCCVEGCSA-N 1 0 334.807 3.441 20 5 EGBDRO O=[N+]([O-])c1cccnc1N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000263689224 456192796 /nfs/dbraw/zinc/19/27/96/456192796.db2.gz JQGPYRWWMYJFPI-UHFFFAOYSA-N 1 0 340.427 3.135 20 5 EGBDRO CC(C)(CCC(=O)Nc1cccc(CC[NH+]2CCCC2)c1)[N+](=O)[O-] ZINC000297379920 456204697 /nfs/dbraw/zinc/20/46/97/456204697.db2.gz DHJOKMYJOJTHSN-UHFFFAOYSA-N 1 0 333.432 3.099 20 5 EGBDRO C[N@@H+]1CCC[C@@H]2CN(c3nccc4cc([N+](=O)[O-])ccc43)CC[C@@H]21 ZINC000297405539 456212456 /nfs/dbraw/zinc/21/24/56/456212456.db2.gz GBMKDRLQJFUDSX-PBHICJAKSA-N 1 0 326.400 3.064 20 5 EGBDRO CCC[N@H+](C)C[C@@H]1CCN(c2ccnc3ccc([N+](=O)[O-])cc32)C1 ZINC000601120315 460719094 /nfs/dbraw/zinc/71/90/94/460719094.db2.gz JSISTBXJSSXSIR-AWEZNQCLSA-N 1 0 328.416 3.311 20 5 EGBDRO COCCC[NH+]1CCC(Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000263816570 456231327 /nfs/dbraw/zinc/23/13/27/456231327.db2.gz WAVRNVXFPNEVGS-UHFFFAOYSA-N 1 0 327.812 3.161 20 5 EGBDRO CCc1ccc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000237140443 456237857 /nfs/dbraw/zinc/23/78/57/456237857.db2.gz VVUGFGDCMSFBCQ-INIZCTEOSA-N 1 0 326.400 3.239 20 5 EGBDRO CCOc1cc(N2CC[N@H+](C)C[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000301916908 456250420 /nfs/dbraw/zinc/25/04/20/456250420.db2.gz BBIGSBFRUDINSG-GOSISDBHSA-N 1 0 341.411 3.487 20 5 EGBDRO Cc1c(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000301963277 456260464 /nfs/dbraw/zinc/26/04/64/456260464.db2.gz RKGIKVBSNIGHGH-CQSZACIVSA-N 1 0 335.404 3.002 20 5 EGBDRO CC(=O)NCC[C@@H]1CCC[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000347666311 456293228 /nfs/dbraw/zinc/29/32/28/456293228.db2.gz RYCNZZSXBVMJIH-ZBFHGGJFSA-N 1 0 333.432 3.202 20 5 EGBDRO CC[C@H]1CN(c2ncccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000302142203 456298277 /nfs/dbraw/zinc/29/82/77/456298277.db2.gz FNZGVJGKKKUCLE-INIZCTEOSA-N 1 0 326.400 3.091 20 5 EGBDRO CC[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)[C@H]1CCNC1=O ZINC000281776981 456316961 /nfs/dbraw/zinc/31/69/61/456316961.db2.gz MSIYUHAYVYEGHA-HNNXBMFYSA-N 1 0 345.424 3.034 20 5 EGBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C[C@H]1C ZINC000342925435 456319230 /nfs/dbraw/zinc/31/92/30/456319230.db2.gz AXSQCSLZEZZTSI-CHWSQXEVSA-N 1 0 344.415 3.021 20 5 EGBDRO C[NH+]1CCC(N(Cc2csc([N+](=O)[O-])c2)Cc2ccco2)CC1 ZINC000290512895 456349305 /nfs/dbraw/zinc/34/93/05/456349305.db2.gz PRJBYVCPUHDTJX-UHFFFAOYSA-N 1 0 335.429 3.346 20 5 EGBDRO COCC[NH+]1CCC(Nc2c(C)cc([N+](=O)[O-])cc2Cl)CC1 ZINC000302833946 456414473 /nfs/dbraw/zinc/41/44/73/456414473.db2.gz SUMRAUBLCZOPNV-UHFFFAOYSA-N 1 0 327.812 3.079 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC[N@@H+](C(C)C)CC1 ZINC000276444031 456483099 /nfs/dbraw/zinc/48/30/99/456483099.db2.gz SCMTWIJBAGOVFI-UHFFFAOYSA-N 1 0 334.420 3.160 20 5 EGBDRO NC(=O)C1(C[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCCC1 ZINC000290941290 456474716 /nfs/dbraw/zinc/47/47/16/456474716.db2.gz TYASSDPVNNFCMA-UHFFFAOYSA-N 1 0 346.214 3.037 20 5 EGBDRO C[C@@H](C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)[NH+]1CCCCCC1 ZINC000303745592 456482457 /nfs/dbraw/zinc/48/24/57/456482457.db2.gz AKZFBLXNUQZLQS-INIZCTEOSA-N 1 0 347.459 3.298 20 5 EGBDRO Cc1ccc(C[NH2+]Cc2ccc(C[S@](C)=O)cc2)cc1[N+](=O)[O-] ZINC000353143591 456518972 /nfs/dbraw/zinc/51/89/72/456518972.db2.gz UHWHXSCAEBGOFI-QHCPKHFHSA-N 1 0 332.425 3.072 20 5 EGBDRO CC[C@H](CO)[N@H+](Cc1ccccc1)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000348183446 456521968 /nfs/dbraw/zinc/52/19/68/456521968.db2.gz CEPTXXOKSOMWLK-QGZVFWFLSA-N 1 0 344.411 3.377 20 5 EGBDRO C[S@](=O)Cc1ccc(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])cc1 ZINC000353148668 456522161 /nfs/dbraw/zinc/52/21/61/456522161.db2.gz ZJIGNEQTFZEUOU-CRFRRKRMSA-N 1 0 344.436 3.276 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CCOC(F)(F)F)cs2)c1 ZINC000353196585 456552556 /nfs/dbraw/zinc/55/25/56/456552556.db2.gz YPBJKEOBUTWUSA-UHFFFAOYSA-N 1 0 347.318 3.344 20 5 EGBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2c1nc2ccccc2cc1[N+](=O)[O-] ZINC000276707452 456557291 /nfs/dbraw/zinc/55/72/91/456557291.db2.gz XZFZWWXIBDRDJM-CABCVRRESA-N 1 0 326.400 3.206 20 5 EGBDRO C[C@H]([NH2+]Cc1ccccc1Cn1cncn1)c1cccc([N+](=O)[O-])c1 ZINC000337807527 456560321 /nfs/dbraw/zinc/56/03/21/456560321.db2.gz IPYHDDAQMYSYGW-AWEZNQCLSA-N 1 0 337.383 3.085 20 5 EGBDRO CC[C@@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C1CCOCC1 ZINC000343377442 456572959 /nfs/dbraw/zinc/57/29/59/456572959.db2.gz ANPXSABYPPVTMM-MRXNPFEDSA-N 1 0 349.431 3.027 20 5 EGBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@](CO)(Cc3ccccc3)C2)cc1 ZINC000291233554 456574462 /nfs/dbraw/zinc/57/44/62/456574462.db2.gz KNZCFYNSMDPQLV-HXUWFJFHSA-N 1 0 340.423 3.412 20 5 EGBDRO Cc1nc(N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000310372892 456580703 /nfs/dbraw/zinc/58/07/03/456580703.db2.gz OJOMLFHIASSPPF-GDBMZVCRSA-N 1 0 326.400 3.373 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000282805332 456631474 /nfs/dbraw/zinc/63/14/74/456631474.db2.gz HOKPIKCNPIDUNC-UHFFFAOYSA-N 1 0 349.431 3.033 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000299248146 456642389 /nfs/dbraw/zinc/64/23/89/456642389.db2.gz KNZDZBMOFIOTLT-XJKSGUPXSA-N 1 0 347.415 3.197 20 5 EGBDRO C[C@@H]1CCC[C@](CNc2ncnc3ccc([N+](=O)[O-])cc32)([NH+](C)C)C1 ZINC000326929326 456701805 /nfs/dbraw/zinc/70/18/05/456701805.db2.gz KDZYTEJEULOSMA-ACJLOTCBSA-N 1 0 343.431 3.460 20 5 EGBDRO Cc1c([C@H](C)[NH2+]C2CCN(c3cccnn3)CC2)cccc1[N+](=O)[O-] ZINC000277228604 456734148 /nfs/dbraw/zinc/73/41/48/456734148.db2.gz YNXQBHSIGQTTNE-AWEZNQCLSA-N 1 0 341.415 3.013 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1CN(C)CCC[N@H+](C)Cc1ccco1 ZINC000353546047 456748147 /nfs/dbraw/zinc/74/81/47/456748147.db2.gz UHAVAISYKMDXHC-UHFFFAOYSA-N 1 0 347.415 3.150 20 5 EGBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1ccc2c(c1)CC(=O)N2C ZINC000283302144 456754239 /nfs/dbraw/zinc/75/42/39/456754239.db2.gz YMWRCEQLXOVFAX-LLVKDONJSA-N 1 0 343.358 3.104 20 5 EGBDRO CC1(C)CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@H]1c1cccnc1 ZINC000291834401 456773185 /nfs/dbraw/zinc/77/31/85/456773185.db2.gz DHXSEXQSKLRZNL-IRXDYDNUSA-N 1 0 327.384 3.106 20 5 EGBDRO Cc1ccc(C(C)(C)[NH2+]CC(=O)Nc2cc([N+](=O)[O-])ccc2C)cn1 ZINC000353575232 456774278 /nfs/dbraw/zinc/77/42/78/456774278.db2.gz ZHECWPZTWMLNSD-UHFFFAOYSA-N 1 0 342.399 3.070 20 5 EGBDRO CC[C@H](C)[NH2+][C@H](CNc1c([N+](=O)[O-])nc(C)n1CC)c1ccco1 ZINC000340951366 456780337 /nfs/dbraw/zinc/78/03/37/456780337.db2.gz IUGJWIQWTZQZEH-WCQYABFASA-N 1 0 335.408 3.254 20 5 EGBDRO Cn1c2ccc(C[NH2+]C(C)(C)c3ccccc3[N+](=O)[O-])cc2oc1=O ZINC000353593868 456789387 /nfs/dbraw/zinc/78/93/87/456789387.db2.gz LTEJYJQJPOKMKM-UHFFFAOYSA-N 1 0 341.367 3.065 20 5 EGBDRO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000277417601 456818215 /nfs/dbraw/zinc/81/82/15/456818215.db2.gz COXSIPXRWKGARB-OAHLLOKOSA-N 1 0 343.383 3.088 20 5 EGBDRO COc1cc(C[NH2+]C2CC(c3ccc(F)cc3)C2)c([N+](=O)[O-])cc1O ZINC000353782960 456904691 /nfs/dbraw/zinc/90/46/91/456904691.db2.gz WLQKNDGYEIAHGA-UHFFFAOYSA-N 1 0 346.358 3.484 20 5 EGBDRO CN(CC[N@H+](C)C1CC1)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000349359175 456952274 /nfs/dbraw/zinc/95/22/74/456952274.db2.gz ZCIKQDDLIWSSBU-UHFFFAOYSA-N 1 0 329.400 3.381 20 5 EGBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CC[C@H](C3CCOCC3)C2)cc1 ZINC000362774484 457087605 /nfs/dbraw/zinc/08/76/05/457087605.db2.gz KGVPCTVAYYJQNQ-INIZCTEOSA-N 1 0 334.416 3.112 20 5 EGBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000356634362 457092948 /nfs/dbraw/zinc/09/29/48/457092948.db2.gz XVEQQXFORNZBBV-GFCCVEGCSA-N 1 0 339.461 3.167 20 5 EGBDRO CC[NH+](CC)CC1CCN(C(=O)c2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000330912089 457104166 /nfs/dbraw/zinc/10/41/66/457104166.db2.gz WOEFCCHLWZXOGL-UHFFFAOYSA-N 1 0 333.432 3.097 20 5 EGBDRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1c1ncccc1[N+](=O)[O-] ZINC000346678182 457108049 /nfs/dbraw/zinc/10/80/49/457108049.db2.gz WUDLEBXWSBMHNF-HUUCEWRRSA-N 1 0 326.400 3.089 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCC[N@@H+]3CCC[C@H]3C2)cc1C(F)(F)F ZINC000362848511 457122784 /nfs/dbraw/zinc/12/27/84/457122784.db2.gz XNTSATQMLGFIGA-LBPRGKRZSA-N 1 0 329.322 3.288 20 5 EGBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000346734508 457137628 /nfs/dbraw/zinc/13/76/28/457137628.db2.gz YQDLTTHVXPJIPB-CHWSQXEVSA-N 1 0 334.420 3.158 20 5 EGBDRO Cc1cc(N2CC[N@@H+]3CCC[C@H]3C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000359886154 457138173 /nfs/dbraw/zinc/13/81/73/457138173.db2.gz YZQAXWVOJDWISC-NSHDSACASA-N 1 0 329.322 3.206 20 5 EGBDRO Cc1cnc(N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000342197299 457163144 /nfs/dbraw/zinc/16/31/44/457163144.db2.gz GMUXLBJPTYMVPO-GDBMZVCRSA-N 1 0 326.400 3.373 20 5 EGBDRO C[C@H](NC(=O)c1ccccc1C[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC000362982559 457183067 /nfs/dbraw/zinc/18/30/67/457183067.db2.gz NBQKEQVRKWJRBK-ZDUSSCGKSA-N 1 0 327.384 3.147 20 5 EGBDRO C[C@H]1CN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@H](C)[NH+]1C ZINC000354442633 457224329 /nfs/dbraw/zinc/22/43/29/457224329.db2.gz IAIDQBULACIWND-STQMWFEESA-N 1 0 346.456 3.243 20 5 EGBDRO CCOc1cc(C[NH2+][C@@H](C(C)C)C2(CO)CCC2)ccc1[N+](=O)[O-] ZINC000339730956 457237551 /nfs/dbraw/zinc/23/75/51/457237551.db2.gz VWEDIQBEYNWBJP-KRWDZBQOSA-N 1 0 336.432 3.270 20 5 EGBDRO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](CCC2CCCCC2)CC1 ZINC000339739878 457242468 /nfs/dbraw/zinc/24/24/68/457242468.db2.gz NUSBLMMNSKGSGJ-UHFFFAOYSA-N 1 0 345.443 3.323 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@H]1O ZINC000331855495 457261676 /nfs/dbraw/zinc/26/16/76/457261676.db2.gz FGEAVKAYNWYKLY-VIBAHUMZSA-N 1 0 348.443 3.365 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@@H](CO)CC(F)(F)F)o2)c1 ZINC000339790969 457271171 /nfs/dbraw/zinc/27/11/71/457271171.db2.gz CFFBXHODPPTOMA-LLVKDONJSA-N 1 0 344.289 3.258 20 5 EGBDRO C[N@@H+]1CC[C@H]2CCN(c3ccc([N+](=O)[O-])c(C(F)(F)F)c3)[C@H]2C1 ZINC000352085011 457337396 /nfs/dbraw/zinc/33/73/96/457337396.db2.gz XABUGXFFBHBGPN-HZMBPMFUSA-N 1 0 329.322 3.144 20 5 EGBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000360880698 457403794 /nfs/dbraw/zinc/40/37/94/457403794.db2.gz AMVKXRSKAMNJGJ-INIZCTEOSA-N 1 0 343.431 3.369 20 5 EGBDRO CCn1c(C)nc([N+](=O)[O-])c1NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000360949740 457457432 /nfs/dbraw/zinc/45/74/32/457457432.db2.gz QIORHFQRJZIYBI-OKILXGFUSA-N 1 0 337.468 3.290 20 5 EGBDRO CCn1c(C)nc([N+](=O)[O-])c1NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000360991664 457495102 /nfs/dbraw/zinc/49/51/02/457495102.db2.gz VGAOEGQYNSERBO-CQSZACIVSA-N 1 0 345.447 3.442 20 5 EGBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000361045887 457540546 /nfs/dbraw/zinc/54/05/46/457540546.db2.gz ZDSVFUZXLSUHLU-CJNGLKHVSA-N 1 0 343.431 3.195 20 5 EGBDRO C[N@@H+]1CCCC12CCN(c1ccc3ncccc3c1[N+](=O)[O-])CC2 ZINC000408105008 457559715 /nfs/dbraw/zinc/55/97/15/457559715.db2.gz NREPQIQLMGNOBU-UHFFFAOYSA-N 1 0 326.400 3.208 20 5 EGBDRO C[C@@H](CCO)[N@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000357552080 457592835 /nfs/dbraw/zinc/59/28/35/457592835.db2.gz KCEBMEHRTYTVME-INIZCTEOSA-N 1 0 344.411 3.247 20 5 EGBDRO CC(C)(CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)[NH+]1CCCCC1 ZINC000357570895 457599414 /nfs/dbraw/zinc/59/94/14/457599414.db2.gz LAJXJYPOQJVENH-UHFFFAOYSA-N 1 0 344.415 3.070 20 5 EGBDRO Cc1c(NC(=O)CC[NH2+][C@@H](C)c2cncc(F)c2)cccc1[N+](=O)[O-] ZINC000361132293 457602093 /nfs/dbraw/zinc/60/20/93/457602093.db2.gz OVAWTRBNQRNQBL-LBPRGKRZSA-N 1 0 346.362 3.117 20 5 EGBDRO C[C@@H]1[C@H](C)N(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[N@H+]1C ZINC000361151057 457615031 /nfs/dbraw/zinc/61/50/31/457615031.db2.gz CMEXHPXRVXFRQE-OLZOCXBDSA-N 1 0 346.456 3.243 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCCC12CC[NH+](C)CC2 ZINC000364526474 457632506 /nfs/dbraw/zinc/63/25/06/457632506.db2.gz DNILEYZMYSJLPX-UHFFFAOYSA-N 1 0 346.431 3.304 20 5 EGBDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000357636438 457635111 /nfs/dbraw/zinc/63/51/11/457635111.db2.gz MLAPYYZJYMMSBM-CYBMUJFWSA-N 1 0 345.399 3.335 20 5 EGBDRO CC(C)(C)c1ccc(C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1[N+](=O)[O-] ZINC000374632225 457676885 /nfs/dbraw/zinc/67/68/85/457676885.db2.gz QIWHHHNTRFLFEZ-SQWLQELKSA-N 1 0 345.443 3.092 20 5 EGBDRO CCC[N@H+](CC)C[C@@H](C)Nc1ncc(Br)cc1[N+](=O)[O-] ZINC000357812172 457698697 /nfs/dbraw/zinc/69/86/97/457698697.db2.gz RFPOKRJUZNCRKH-SNVBAGLBSA-N 1 0 345.241 3.285 20 5 EGBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@@H]3C[C@@H]3c3ccccc3)CC2)n1 ZINC000361382833 457712915 /nfs/dbraw/zinc/71/29/15/457712915.db2.gz XRNCSUTYMVFYHV-DOTOQJQBSA-N 1 0 326.400 3.232 20 5 EGBDRO C[C@@H]([NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1)C(=O)N(C)C ZINC000357870690 457719233 /nfs/dbraw/zinc/71/92/33/457719233.db2.gz HPFGQFMYNNIPGQ-VXGBXAGGSA-N 1 0 347.440 3.451 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCS[C@H](c3ccccc3)C2)c1 ZINC000370999366 457754822 /nfs/dbraw/zinc/75/48/22/457754822.db2.gz QCWQJPQJVISZIK-MSOLQXFVSA-N 1 0 344.436 3.418 20 5 EGBDRO CC1(C)C[C@H]([NH2+]CCCOC[C@@H]2CCCO2)c2cc([N+](=O)[O-])ccc21 ZINC000433165552 457767434 /nfs/dbraw/zinc/76/74/34/457767434.db2.gz CHBLWPULTJONSR-YJBOKZPZSA-N 1 0 348.443 3.493 20 5 EGBDRO C[C@H]([C@H](C)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)N1CCOCC1 ZINC000433173154 457769411 /nfs/dbraw/zinc/76/94/11/457769411.db2.gz JKQXIUQKTVFYMS-PMUMKWKESA-N 1 0 347.459 3.016 20 5 EGBDRO COc1ccc(-c2ccc(C[NH2+]CCC[C@H](C)O)o2)c([N+](=O)[O-])c1 ZINC000433172065 457769629 /nfs/dbraw/zinc/76/96/29/457769629.db2.gz BYAJWHAGNILEMV-LBPRGKRZSA-N 1 0 334.372 3.114 20 5 EGBDRO CCC(=O)c1ccc(N2CCC[C@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000366430142 457812515 /nfs/dbraw/zinc/81/25/15/457812515.db2.gz HPMCZPVDXGSMDJ-HNNXBMFYSA-N 1 0 331.416 3.252 20 5 EGBDRO CC[N@H+](CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@H](C)C(C)C ZINC000411191385 457825400 /nfs/dbraw/zinc/82/54/00/457825400.db2.gz BSADLQIZEAVQHB-CYBMUJFWSA-N 1 0 337.420 3.298 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+]CC[S@@](=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000358171457 457832151 /nfs/dbraw/zinc/83/21/51/457832151.db2.gz GRJGKEUEVQJGGQ-QKFKETGDSA-N 1 0 332.425 3.362 20 5 EGBDRO C[C@@H]([NH2+]C[C@H]1COCCO1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000358214811 457863839 /nfs/dbraw/zinc/86/38/39/457863839.db2.gz FIECCKPOCYUYSA-OLZOCXBDSA-N 1 0 348.424 3.389 20 5 EGBDRO COc1cccc(C(=O)Nc2cc(C)cc(C[NH+](C)C)c2)c1[N+](=O)[O-] ZINC000444328407 457888055 /nfs/dbraw/zinc/88/80/55/457888055.db2.gz MXYIOQPJCWEIRV-UHFFFAOYSA-N 1 0 343.383 3.226 20 5 EGBDRO COCC[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C[C@@H]1CC=CCC1 ZINC000444705381 457948340 /nfs/dbraw/zinc/94/83/40/457948340.db2.gz AWYGMGZGQFNOFM-CQSZACIVSA-N 1 0 344.415 3.276 20 5 EGBDRO COC(=O)c1cc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])cs1 ZINC000411714813 457958256 /nfs/dbraw/zinc/95/82/56/457958256.db2.gz AETITSPDNOCBCB-UHFFFAOYSA-N 1 0 334.397 3.117 20 5 EGBDRO CC(C)[N@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)CC1CCC1 ZINC000444768018 457970026 /nfs/dbraw/zinc/97/00/26/457970026.db2.gz BPWMDNFUEAMWSM-UHFFFAOYSA-N 1 0 347.415 3.403 20 5 EGBDRO CCC[C@H]([NH2+]C[C@]1(N(C)C)CCSC1)c1cccc([N+](=O)[O-])c1 ZINC000361972902 457987599 /nfs/dbraw/zinc/98/75/99/457987599.db2.gz USYDEZKTJSBLDN-DLBZAZTESA-N 1 0 337.489 3.463 20 5 EGBDRO COc1cc(CN2CCSC(C)(C)CC2)c([N+](=O)[O-])cc1F ZINC000434679344 458035475 /nfs/dbraw/zinc/03/54/75/458035475.db2.gz CAFGJRNIAMZAMU-UHFFFAOYSA-N 1 0 328.409 3.460 20 5 EGBDRO Cn1cc(C[C@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C2)cn1 ZINC000371727132 458051763 /nfs/dbraw/zinc/05/17/63/458051763.db2.gz JQACEGWJQPSKCM-GFCCVEGCSA-N 1 0 334.807 3.046 20 5 EGBDRO CC[NH+](CC)[C@@H]1CCN(Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000362384532 458138715 /nfs/dbraw/zinc/13/87/15/458138715.db2.gz HFIDMFTVGBNJSF-QGZVFWFLSA-N 1 0 335.448 3.298 20 5 EGBDRO COc1ccc(OCCC[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000446738497 458222843 /nfs/dbraw/zinc/22/28/43/458222843.db2.gz IKRLWMZAZLBWTR-UHFFFAOYSA-N 1 0 342.395 3.431 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@@H](CO)Cc1ccccc1)CCC2 ZINC000447542871 458307536 /nfs/dbraw/zinc/30/75/36/458307536.db2.gz QLMUOZWHLFXDBK-JXFKEZNVSA-N 1 0 340.423 3.413 20 5 EGBDRO CO[C@H](C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000447564658 458313311 /nfs/dbraw/zinc/31/33/11/458313311.db2.gz YMIBQKMQSFPMRD-IXDOHACOSA-N 1 0 344.415 3.252 20 5 EGBDRO O=[N+]([O-])c1ccn(C2CC[NH+](CCCOCc3ccccc3)CC2)n1 ZINC000369682708 458314743 /nfs/dbraw/zinc/31/47/43/458314743.db2.gz TUYFHYYNICCDBY-UHFFFAOYSA-N 1 0 344.415 3.035 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@H]1CC[C@@H](C)C1 ZINC000429565063 458346840 /nfs/dbraw/zinc/34/68/40/458346840.db2.gz RGRJUKNSSAHDSK-OLZOCXBDSA-N 1 0 335.404 3.052 20 5 EGBDRO Cc1ccc(NC(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)cc1[N+](=O)[O-] ZINC000447911246 458365053 /nfs/dbraw/zinc/36/50/53/458365053.db2.gz ZJTKVTPERBKUIO-OAHLLOKOSA-N 1 0 334.420 3.145 20 5 EGBDRO C[C@@H]1CC[C@H]([N@H+](CCO)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000429765188 458367140 /nfs/dbraw/zinc/36/71/40/458367140.db2.gz AIMLQTKUTJCSAR-DYVFJYSZSA-N 1 0 345.399 3.233 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1CN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000430201452 458419464 /nfs/dbraw/zinc/41/94/64/458419464.db2.gz JPPGXGCIUUXNEP-SFHVURJKSA-N 1 0 341.411 3.092 20 5 EGBDRO O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)[C@@H]1CCCC[NH2+]1 ZINC000430384677 458445164 /nfs/dbraw/zinc/44/51/64/458445164.db2.gz LWERJDHJABSVED-KRWDZBQOSA-N 1 0 341.367 3.468 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CC[C@](O)(C4CC4)C3)o2)cc1 ZINC000373328517 458462593 /nfs/dbraw/zinc/46/25/93/458462593.db2.gz OPVYQXJFONOTCA-GOSISDBHSA-N 1 0 328.368 3.202 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)C[C@@H](C)C(=O)OC(C)(C)C ZINC000459787424 458479062 /nfs/dbraw/zinc/47/90/62/458479062.db2.gz CLGNBUKIWASEGR-GFCCVEGCSA-N 1 0 338.404 3.013 20 5 EGBDRO C[C@@H]([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000459792964 458480323 /nfs/dbraw/zinc/48/03/23/458480323.db2.gz VCPDUWYFIPRQHL-DWZYQQQCSA-N 1 0 328.372 3.484 20 5 EGBDRO CCCN(CC[NH+](CC)CC)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000461980894 458585319 /nfs/dbraw/zinc/58/53/19/458585319.db2.gz IDZMTFGSOCZISH-UHFFFAOYSA-N 1 0 336.436 3.489 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000470179018 458620610 /nfs/dbraw/zinc/62/06/10/458620610.db2.gz RDYALZYMKDJVMY-QMJOVRGKSA-N 1 0 329.444 3.416 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(NC(=O)C(C)C)CC1 ZINC000470173803 458620936 /nfs/dbraw/zinc/62/09/36/458620936.db2.gz FYEUZJRWJHCZGI-PTNGSMBKSA-N 1 0 345.443 3.235 20 5 EGBDRO CCOC(=O)[C@H]1CCC[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000470174115 458621640 /nfs/dbraw/zinc/62/16/40/458621640.db2.gz QOGAVDNWYMGCOW-DKGMDFAASA-N 1 0 332.400 3.273 20 5 EGBDRO COc1cc(-c2nc(C3([NH3+])CCCCC3)no2)cc([N+](=O)[O-])c1C ZINC000424344076 458621905 /nfs/dbraw/zinc/62/19/05/458621905.db2.gz KQIFZDOMHBKCFN-UHFFFAOYSA-N 1 0 332.360 3.080 20 5 EGBDRO CCCNC(=O)[C@@H]1CCC[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000470183842 458623464 /nfs/dbraw/zinc/62/34/64/458623464.db2.gz SMIAGUADGRYILZ-JBXOJTMHSA-N 1 0 345.443 3.236 20 5 EGBDRO Cn1nccc1[C@H]1CCC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000494190532 458639890 /nfs/dbraw/zinc/63/98/90/458639890.db2.gz BPQQBIWWUPDFAX-LBPRGKRZSA-N 1 0 334.807 3.361 20 5 EGBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@@H]1CCCCC12CCCC2 ZINC000463449560 458699885 /nfs/dbraw/zinc/69/98/85/458699885.db2.gz LBQOKPNEJMFQIY-MAUKXSAKSA-N 1 0 348.443 3.427 20 5 EGBDRO CC[C@@H](C)[NH+]1CCN(C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000456539457 458707590 /nfs/dbraw/zinc/70/75/90/458707590.db2.gz YGBLYEROWJNOTA-CQSZACIVSA-N 1 0 333.432 3.275 20 5 EGBDRO C[C@H]1C[NH+](CCCNc2c(Cl)cccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000432324406 458715199 /nfs/dbraw/zinc/71/51/99/458715199.db2.gz IARZUZIHVPTMTD-RYUDHWBXSA-N 1 0 327.812 3.159 20 5 EGBDRO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000471806873 458732682 /nfs/dbraw/zinc/73/26/82/458732682.db2.gz ZQCIIFQQFOOTFU-DOMZBBRYSA-N 1 0 346.358 3.481 20 5 EGBDRO CCC[C@H]1[C@H](C)CCC[N@@H+]1CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000464742052 458767232 /nfs/dbraw/zinc/76/72/32/458767232.db2.gz WCBPZJMIRKBQKP-CJNGLKHVSA-N 1 0 349.431 3.443 20 5 EGBDRO CCC[NH+]1CCC(N(C)c2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000473510800 458832813 /nfs/dbraw/zinc/83/28/13/458832813.db2.gz URIKAVUYFJBHOX-UHFFFAOYSA-N 1 0 328.416 3.454 20 5 EGBDRO CC(C)c1ccc(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000473574705 458836238 /nfs/dbraw/zinc/83/62/38/458836238.db2.gz YCUAKONYZFKHEX-HNNXBMFYSA-N 1 0 345.443 3.465 20 5 EGBDRO Cc1nn(C)c(NCC[NH+]2CCC3(CCCCC3)CC2)c1[N+](=O)[O-] ZINC000440656418 458839728 /nfs/dbraw/zinc/83/97/28/458839728.db2.gz YJAOYZYDJXCTTN-UHFFFAOYSA-N 1 0 335.452 3.095 20 5 EGBDRO CC(C)(C)OC(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000495659513 458910873 /nfs/dbraw/zinc/91/08/73/458910873.db2.gz SZWSUCHOPDEWFT-SFHVURJKSA-N 1 0 349.431 3.332 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000475578516 458953455 /nfs/dbraw/zinc/95/34/55/458953455.db2.gz PSVXUGQJQSPHFA-UHFFFAOYSA-N 1 0 348.447 3.455 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000475571824 458953482 /nfs/dbraw/zinc/95/34/82/458953482.db2.gz NMBBBAUDPSSMDQ-HNNXBMFYSA-N 1 0 348.447 3.454 20 5 EGBDRO C[C@@H](C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000566656154 458976755 /nfs/dbraw/zinc/97/67/55/458976755.db2.gz XSPFMUGQGSXKSL-JKSUJKDBSA-N 1 0 347.459 3.327 20 5 EGBDRO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C[C@H](O)Cc1ccccc1 ZINC000556895585 459029866 /nfs/dbraw/zinc/02/98/66/459029866.db2.gz VAFSQTFJHAMVHW-JGZYNSJSSA-N 1 0 326.396 3.143 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CC[C@@](O)(C(F)(F)F)C1 ZINC000589938479 459053299 /nfs/dbraw/zinc/05/32/99/459053299.db2.gz SHKUUPUKMRKGIW-SYCNYYNXSA-N 1 0 344.333 3.434 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1CC[C@](O)(C(F)(F)F)C1)CCC2 ZINC000589950205 459056310 /nfs/dbraw/zinc/05/63/10/459056310.db2.gz ZCBLCDOFYBSJEN-NILFDRSVSA-N 1 0 344.333 3.408 20 5 EGBDRO COc1ccc2c(c1)OC[C@@H]([NH2+][C@@H]1CCc3c1cccc3[N+](=O)[O-])C2 ZINC000594500075 459062862 /nfs/dbraw/zinc/06/28/62/459062862.db2.gz HBKDLFRXNNIGGY-SUMWQHHRSA-N 1 0 340.379 3.184 20 5 EGBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CCC[C@H](CCO)C2)c1 ZINC000590158473 459095559 /nfs/dbraw/zinc/09/55/59/459095559.db2.gz JSAZBIRWMYTMFE-LLVKDONJSA-N 1 0 332.322 3.208 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)ccc1-n1cc(C[NH2+]C2CCCCC2)nn1 ZINC000594654616 459120993 /nfs/dbraw/zinc/12/09/93/459120993.db2.gz YPDBDZIFGBDBLP-UHFFFAOYSA-N 1 0 335.795 3.251 20 5 EGBDRO COc1ccc(C[C@@](C)([NH3+])CNc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000532853065 459151000 /nfs/dbraw/zinc/15/10/00/459151000.db2.gz BETVQMCUEDNVAH-QGZVFWFLSA-N 1 0 333.363 3.115 20 5 EGBDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000590657667 459174203 /nfs/dbraw/zinc/17/42/03/459174203.db2.gz KFXBVIRNXMRJJH-CVEARBPZSA-N 1 0 344.367 3.286 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)cc1 ZINC000594923893 459177752 /nfs/dbraw/zinc/17/77/52/459177752.db2.gz GXOVFBDKSYOZOH-GOSISDBHSA-N 1 0 328.368 3.052 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[NH2+]Cc1ccc(O[C@@H]2CCOC2)cc1 ZINC000594925883 459179103 /nfs/dbraw/zinc/17/91/03/459179103.db2.gz PKVNZTRYUAEUHG-QGZVFWFLSA-N 1 0 328.368 3.052 20 5 EGBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)[C@@H]1Oc1ccccc1 ZINC000480192333 459186848 /nfs/dbraw/zinc/18/68/48/459186848.db2.gz CIDJMSBOQSFFHE-OTWHNJEPSA-N 1 0 342.395 3.309 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+]CC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000480266947 459190724 /nfs/dbraw/zinc/19/07/24/459190724.db2.gz QXKWDDYTEOGDAD-OWCLPIDISA-N 1 0 349.475 3.442 20 5 EGBDRO O=[N+]([O-])c1ccc2oc(C[NH2+][C@@H]3[C@@H]4CCO[C@H]4C34CCCC4)nc2c1 ZINC000590726623 459196814 /nfs/dbraw/zinc/19/68/14/459196814.db2.gz CYFQVIADYARXQD-JCURWCKSSA-N 1 0 343.383 3.173 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000521968057 459197198 /nfs/dbraw/zinc/19/71/98/459197198.db2.gz JLAQQDPYTSDJOW-UHFFFAOYSA-N 1 0 345.374 3.034 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H](CO)Cc1ccc(F)cc1 ZINC000480485765 459200647 /nfs/dbraw/zinc/20/06/47/459200647.db2.gz FIUTZSHYWZSHKZ-WAFIBAPDSA-N 1 0 344.386 3.330 20 5 EGBDRO C[C@@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H]2CCCC[C@H]12 ZINC000533238756 459204768 /nfs/dbraw/zinc/20/47/68/459204768.db2.gz KDCCVIDTWZNLOQ-DAXOMENPSA-N 1 0 331.416 3.094 20 5 EGBDRO COc1cc(C[NH2+][C@@H]2CC[C@@H]2c2ccccc2)c([N+](=O)[O-])cc1O ZINC000594994794 459208767 /nfs/dbraw/zinc/20/87/67/459208767.db2.gz LUTODPZCQZHESL-HUUCEWRRSA-N 1 0 328.368 3.345 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCOCc1ccccc1 ZINC000595014279 459215865 /nfs/dbraw/zinc/21/58/65/459215865.db2.gz WBNGXHYJWSMXEW-AWEZNQCLSA-N 1 0 330.384 3.471 20 5 EGBDRO COCC[C@@H](Cc1ccco1)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595032346 459223629 /nfs/dbraw/zinc/22/36/29/459223629.db2.gz MYARKAXGVWRUJJ-KBPBESRZSA-N 1 0 348.399 3.495 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H](c1ccnn1C)C(C)C ZINC000595039401 459225857 /nfs/dbraw/zinc/22/58/57/459225857.db2.gz DXQIHTMSFCBTNQ-BBRMVZONSA-N 1 0 346.431 3.427 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H](C)C(=O)OC(C)(C)C ZINC000595047795 459228141 /nfs/dbraw/zinc/22/81/41/459228141.db2.gz TZAIADRAJZHSTD-RYUDHWBXSA-N 1 0 338.404 3.232 20 5 EGBDRO COC(C)(C)C[N@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000533482259 459241898 /nfs/dbraw/zinc/24/18/98/459241898.db2.gz BHKYAYVWYNBUFP-UHFFFAOYSA-N 1 0 333.388 3.149 20 5 EGBDRO Cc1c([C@H](C)[NH2+]CC(C)(C)[C@@]2(O)CCCOC2)cccc1[N+](=O)[O-] ZINC000595099950 459245133 /nfs/dbraw/zinc/24/51/33/459245133.db2.gz HHKWPJGEXPMANA-KBXCAEBGSA-N 1 0 336.432 3.122 20 5 EGBDRO CCC[C@@H]([NH2+]C1CCN([C@@H]2CCOC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000595102120 459245448 /nfs/dbraw/zinc/24/54/48/459245448.db2.gz JVZHKFOFEVNUDR-RTBURBONSA-N 1 0 347.459 3.279 20 5 EGBDRO COc1ccccc1C[C@H]([NH2+]Cc1onc(C)c1[N+](=O)[O-])C(C)C ZINC000595433689 459300349 /nfs/dbraw/zinc/30/03/49/459300349.db2.gz ZKQLIGXZKPZEKB-AWEZNQCLSA-N 1 0 333.388 3.257 20 5 EGBDRO C[C@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC[C@@H]1C ZINC000523496270 459309949 /nfs/dbraw/zinc/30/99/49/459309949.db2.gz NURHNSWQTXOALE-LSDHHAIUSA-N 1 0 347.459 3.252 20 5 EGBDRO O=[N+]([O-])c1cc(F)ccc1CN1CCC[C@H](Oc2ncccc2F)C1 ZINC000595462421 459310757 /nfs/dbraw/zinc/31/07/57/459310757.db2.gz VBSXHXOYSPYEKH-AWEZNQCLSA-N 1 0 349.337 3.311 20 5 EGBDRO CC[N@@H+]1CCCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H](C)C1 ZINC000595536128 459336729 /nfs/dbraw/zinc/33/67/29/459336729.db2.gz MRWRZVVSDGHNNX-CQSZACIVSA-N 1 0 344.415 3.166 20 5 EGBDRO Cc1cccc(C)c1[C@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000595600042 459360440 /nfs/dbraw/zinc/36/04/40/459360440.db2.gz FUMLJZWBTLFZOG-QGZVFWFLSA-N 1 0 341.411 3.210 20 5 EGBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H](c2cccnc2)C2CCC2)cc1 ZINC000582581204 459388664 /nfs/dbraw/zinc/38/86/64/459388664.db2.gz FPRIAPGMBDCHCG-GOSISDBHSA-N 1 0 327.384 3.500 20 5 EGBDRO CC1(C)C[NH2+][C@H]1C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000591672912 459420344 /nfs/dbraw/zinc/42/03/44/459420344.db2.gz SSBCRZUDFNAHRG-INIZCTEOSA-N 1 0 341.367 3.324 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000591681120 459421505 /nfs/dbraw/zinc/42/15/05/459421505.db2.gz QFASYRVWVUASHO-UHFFFAOYSA-N 1 0 325.368 3.110 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(OC(=O)N(C)C)CC1 ZINC000497083533 459432107 /nfs/dbraw/zinc/43/21/07/459432107.db2.gz ZTBAMCHLEDBRMI-CYBMUJFWSA-N 1 0 335.404 3.127 20 5 EGBDRO CC(C)[C@H](O)C[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000525405621 459454445 /nfs/dbraw/zinc/45/44/45/459454445.db2.gz KFEYJJZPPGGBKB-LJQANCHMSA-N 1 0 343.427 3.469 20 5 EGBDRO COCc1cc([N+](=O)[O-])ccc1N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000525642787 459472537 /nfs/dbraw/zinc/47/25/37/459472537.db2.gz BUKJGZVUKVMDJF-QGZVFWFLSA-N 1 0 341.411 3.428 20 5 EGBDRO C[C@@H](C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000497217705 459490627 /nfs/dbraw/zinc/49/06/27/459490627.db2.gz FAXYNMSRNWKXHC-LBPRGKRZSA-N 1 0 337.420 3.333 20 5 EGBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(c2c(Cl)cncc2[N+](=O)[O-])C1 ZINC000596081658 459512171 /nfs/dbraw/zinc/51/21/71/459512171.db2.gz IRGMFIMFHCFZGW-XQQFMLRXSA-N 1 0 338.839 3.485 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000596094379 459519347 /nfs/dbraw/zinc/51/93/47/459519347.db2.gz LRRHAQZIPTZROK-ZBFHGGJFSA-N 1 0 347.459 3.376 20 5 EGBDRO CC(C)CC[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000486798836 459520993 /nfs/dbraw/zinc/52/09/93/459520993.db2.gz ZADWJPWXJVXGAN-DOTOQJQBSA-N 1 0 336.432 3.235 20 5 EGBDRO C[C@@]1(Cc2ccccc2F)CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000592143500 459535593 /nfs/dbraw/zinc/53/55/93/459535593.db2.gz GCTWIKXESXNHBT-KRWDZBQOSA-N 1 0 332.379 3.028 20 5 EGBDRO CC[NH+](CC)CCCC1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596188761 459555414 /nfs/dbraw/zinc/55/54/14/459555414.db2.gz BBNDMUGACWYPME-UHFFFAOYSA-N 1 0 336.436 3.034 20 5 EGBDRO CC(C)(CC[NH+]1CCCCCC1)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596195572 459557297 /nfs/dbraw/zinc/55/72/97/459557297.db2.gz NLHWONPMFZOVMB-UHFFFAOYSA-N 1 0 348.447 3.150 20 5 EGBDRO CCCN(C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C)[C@H]1CC[N@H+](C)C1 ZINC000592253744 459561147 /nfs/dbraw/zinc/56/11/47/459561147.db2.gz NJMPNPBBQCRFJV-AWEZNQCLSA-N 1 0 334.420 3.160 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592254491 459561460 /nfs/dbraw/zinc/56/14/60/459561460.db2.gz FETFPHYSTAKFQE-JKSUJKDBSA-N 1 0 345.443 3.063 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)CCc1ccccc1O ZINC000542483058 459562134 /nfs/dbraw/zinc/56/21/34/459562134.db2.gz VTBYUFBZSXWMIF-UHFFFAOYSA-N 1 0 330.384 3.374 20 5 EGBDRO Cc1cc(C(=O)NCCC[N@@H+](C)C2CCCCC2)cc([N+](=O)[O-])c1 ZINC000497923252 459562996 /nfs/dbraw/zinc/56/29/96/459562996.db2.gz XOCXUCLBTYYCID-UHFFFAOYSA-N 1 0 333.432 3.288 20 5 EGBDRO CCCC[C@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CCC1 ZINC000542524486 459566406 /nfs/dbraw/zinc/56/64/06/459566406.db2.gz DOHBBTKMCJYGBW-KRWDZBQOSA-N 1 0 345.443 3.432 20 5 EGBDRO COC(=O)c1cccc(OC[C@@H]2CCCC[N@@H+]2C(C)C)c1[N+](=O)[O-] ZINC000596299822 459588651 /nfs/dbraw/zinc/58/86/51/459588651.db2.gz QDLGPTIJHNTMOH-ZDUSSCGKSA-N 1 0 336.388 3.023 20 5 EGBDRO CC(C)(C)[N@@H+]1CC[C@H](CNc2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000596305843 459590052 /nfs/dbraw/zinc/59/00/52/459590052.db2.gz BBYOGZXHZPOKHL-SNVBAGLBSA-N 1 0 335.433 3.132 20 5 EGBDRO CC(C)c1ccc(C(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000527135898 459597283 /nfs/dbraw/zinc/59/72/83/459597283.db2.gz YACZBFSXWRKERY-AWEZNQCLSA-N 1 0 333.432 3.178 20 5 EGBDRO C[NH+](C)CC1(CNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CCCC1 ZINC000499682079 459645238 /nfs/dbraw/zinc/64/52/38/459645238.db2.gz BUBWDHBZRSWBOW-UHFFFAOYSA-N 1 0 347.459 3.111 20 5 EGBDRO COc1cc(NCC2CC[NH+](CC3CC3)CC2)c(F)cc1[N+](=O)[O-] ZINC000596563285 459678523 /nfs/dbraw/zinc/67/85/23/459678523.db2.gz TXPRWHXORIDFER-UHFFFAOYSA-N 1 0 337.395 3.276 20 5 EGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCOc1ncccc1Cl ZINC000573506735 459688647 /nfs/dbraw/zinc/68/86/47/459688647.db2.gz VERRPSAUHYVUJK-CQSZACIVSA-N 1 0 333.775 3.299 20 5 EGBDRO CCOC1CC(CC[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000573789778 459735551 /nfs/dbraw/zinc/73/55/51/459735551.db2.gz NKVYMIMMCROQHK-SSHXOBKSSA-N 1 0 336.436 3.070 20 5 EGBDRO CCC[C@H]1CN([C@H](C)c2ccccc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000501802206 459746480 /nfs/dbraw/zinc/74/64/80/459746480.db2.gz DWXHUZCBSJVVNE-CVEARBPZSA-N 1 0 335.448 3.089 20 5 EGBDRO C[C@H](CCNC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)[NH+](C)C ZINC000596829168 459773336 /nfs/dbraw/zinc/77/33/36/459773336.db2.gz OZFHBKKHLYSEGJ-SECBINFHSA-N 1 0 348.325 3.075 20 5 EGBDRO Cc1cccc(C)c1[C@@H](C)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000544897129 459790021 /nfs/dbraw/zinc/79/00/21/459790021.db2.gz FBFKODGKVHQXNQ-WBVHZDCISA-N 1 0 344.411 3.302 20 5 EGBDRO O=C1CCCN1CC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000584725762 459792083 /nfs/dbraw/zinc/79/20/83/459792083.db2.gz TVSVTZYWHALFNK-UHFFFAOYSA-N 1 0 345.424 3.035 20 5 EGBDRO CN(Cc1cn(C)nn1)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000597209768 459878149 /nfs/dbraw/zinc/87/81/49/459878149.db2.gz IZFWELNZJROPHE-UHFFFAOYSA-N 1 0 343.412 3.084 20 5 EGBDRO CN(Cc1cn(C)nn1)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000597211578 459879054 /nfs/dbraw/zinc/87/90/54/459879054.db2.gz SGWKRNWVDHADLC-UHFFFAOYSA-N 1 0 343.412 3.084 20 5 EGBDRO C[C@@H](O)C1([NH2+]Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000597233875 459887419 /nfs/dbraw/zinc/88/74/19/459887419.db2.gz BQOYHQBHLPXCFR-CQSZACIVSA-N 1 0 341.411 3.366 20 5 EGBDRO CC(C)[N@@H+]1CCCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000609039992 459900789 /nfs/dbraw/zinc/90/07/89/459900789.db2.gz MNZPYOPWTXSRJU-UHFFFAOYSA-N 1 0 342.237 3.278 20 5 EGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000602480134 459959945 /nfs/dbraw/zinc/95/99/45/459959945.db2.gz UDTVMOSUZLTHRL-YPMHNXCESA-N 1 0 344.333 3.472 20 5 EGBDRO COc1ccc2[nH]cc(CC[NH2+]CCc3ccc([N+](=O)[O-])cc3)c2c1 ZINC000602543570 459991134 /nfs/dbraw/zinc/99/11/34/459991134.db2.gz DWMMQSXGUVGBGZ-UHFFFAOYSA-N 1 0 339.395 3.460 20 5 EGBDRO CC(C)[C@@H]1OCCC[C@H]1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602561748 459997349 /nfs/dbraw/zinc/99/73/49/459997349.db2.gz DYBHJHSDBWEUQX-SJCJKPOMSA-N 1 0 333.388 3.277 20 5 EGBDRO C[C@H]([NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)[C@@H]1CCCCO1 ZINC000602587176 460013146 /nfs/dbraw/zinc/01/31/46/460013146.db2.gz PICBTBYYCWYRRG-KWQFWETISA-N 1 0 349.250 3.466 20 5 EGBDRO CC(C)(C[C@@H]1CCC[N@@H+]([C@@H]2CCc3c2cccc3[N+](=O)[O-])C1)C(N)=O ZINC000575880992 460025169 /nfs/dbraw/zinc/02/51/69/460025169.db2.gz CROPYKZBHMHTGI-XJKSGUPXSA-N 1 0 345.443 3.196 20 5 EGBDRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000589162423 460042111 /nfs/dbraw/zinc/04/21/11/460042111.db2.gz VCCBRQLWCWJTTH-GFOFROLCSA-N 1 0 331.416 3.114 20 5 EGBDRO C[C@@H](O)C[C@@H]1CCCCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602660613 460050788 /nfs/dbraw/zinc/05/07/88/460050788.db2.gz GMZSZFWGGRWZIB-OLZOCXBDSA-N 1 0 333.388 3.252 20 5 EGBDRO CC1(C)Cc2cccc(C[NH2+]CCOc3ccc([N+](=O)[O-])cc3)c2O1 ZINC000610007739 460050842 /nfs/dbraw/zinc/05/08/42/460050842.db2.gz JGCGKRXKAVFWND-UHFFFAOYSA-N 1 0 342.395 3.477 20 5 EGBDRO COc1ccc(-c2ccc(C[N@H+](C)C[C@@H](O)C3CC3)o2)c([N+](=O)[O-])c1 ZINC000589198189 460052602 /nfs/dbraw/zinc/05/26/02/460052602.db2.gz QDDROIVVNJALPJ-QGZVFWFLSA-N 1 0 346.383 3.066 20 5 EGBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000610065149 460058296 /nfs/dbraw/zinc/05/82/96/460058296.db2.gz PJDRZJUVZRNHLU-INIZCTEOSA-N 1 0 347.459 3.253 20 5 EGBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]C[C@@H]3CCOC4(CCC4)C3)nc2c1 ZINC000602676412 460060230 /nfs/dbraw/zinc/06/02/30/460060230.db2.gz PEOICLRIQFHZDX-GFCCVEGCSA-N 1 0 331.372 3.175 20 5 EGBDRO CC[C@@H]1CCC[C@H]1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602679978 460062470 /nfs/dbraw/zinc/06/24/70/460062470.db2.gz MUNLBLOYEOMDFO-CABCVRRESA-N 1 0 332.448 3.375 20 5 EGBDRO COC1([C@H](C)[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CCC1 ZINC000602690406 460067450 /nfs/dbraw/zinc/06/74/50/460067450.db2.gz LURJBVKIZSXYAG-QMMMGPOBSA-N 1 0 349.250 3.466 20 5 EGBDRO CC[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[C@H]1CC1(C)C ZINC000602693643 460068360 /nfs/dbraw/zinc/06/83/60/460068360.db2.gz DLAMSBZIVOHBQD-HZPDHXFCSA-N 1 0 332.448 3.373 20 5 EGBDRO COc1ccc(C[NH2+][C@H](CC(=O)OC(C)C)C(C)C)cc1[N+](=O)[O-] ZINC000594042230 460070441 /nfs/dbraw/zinc/07/04/41/460070441.db2.gz RGNCKZKPOVMZIW-CQSZACIVSA-N 1 0 338.404 3.059 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000589373178 460081353 /nfs/dbraw/zinc/08/13/53/460081353.db2.gz FWCNJEXHGJPXQU-LBPRGKRZSA-N 1 0 334.420 3.009 20 5 EGBDRO O=[N+]([O-])c1sc(C[NH2+]CC[C@@H]2CCCCO2)cc1Br ZINC000598895104 460088402 /nfs/dbraw/zinc/08/84/02/460088402.db2.gz SMBXJFLVNQPACU-VIFPVBQESA-N 1 0 349.250 3.468 20 5 EGBDRO O=C(NCC[NH2+]C1CCCCCC1)Nc1ccc([N+](=O)[O-])cc1F ZINC000598916411 460091453 /nfs/dbraw/zinc/09/14/53/460091453.db2.gz YGCIDZXXEVZTHI-UHFFFAOYSA-N 1 0 338.383 3.168 20 5 EGBDRO CN(CCCC[NH+]1CCCCC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000602757872 460108976 /nfs/dbraw/zinc/10/89/76/460108976.db2.gz VNEISNBIXWHNDR-UHFFFAOYSA-N 1 0 334.420 3.325 20 5 EGBDRO COc1ccccc1[C@@H]1CCCC[N@@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602775225 460118578 /nfs/dbraw/zinc/11/85/78/460118578.db2.gz JQUDNPXKYQECMB-INIZCTEOSA-N 1 0 344.415 3.336 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@@H](c2ccc(F)cc2)C[C@H]1C ZINC000602783496 460122504 /nfs/dbraw/zinc/12/25/04/460122504.db2.gz ZWBUJVTYUJPGHC-DOMZBBRYSA-N 1 0 332.379 3.117 20 5 EGBDRO NC(=O)c1ccc(C[NH+]2CCC(C3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000610393480 460141408 /nfs/dbraw/zinc/14/14/08/460141408.db2.gz XQTOWHFYORWGGZ-UHFFFAOYSA-N 1 0 331.416 3.096 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCCN1CC(F)F)CCC2 ZINC000599066600 460149364 /nfs/dbraw/zinc/14/93/64/460149364.db2.gz SVIIGRPLUQATDX-HOCLYGCPSA-N 1 0 339.386 3.291 20 5 EGBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cccc2c1CCOC2 ZINC000602831741 460150466 /nfs/dbraw/zinc/15/04/66/460150466.db2.gz QUYJKSUDBKFPPG-UHFFFAOYSA-N 1 0 326.396 3.342 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000602833372 460150761 /nfs/dbraw/zinc/15/07/61/460150761.db2.gz PIMPPLQKDIQXOM-TXEJJXNPSA-N 1 0 334.342 3.153 20 5 EGBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H](c3cc4ccccc4[nH]3)C2)c1 ZINC000610447413 460153491 /nfs/dbraw/zinc/15/34/91/460153491.db2.gz CXPAPGHTEUWQKA-OAHLLOKOSA-N 1 0 339.399 3.152 20 5 EGBDRO CC[C@H]([NH2+][C@H]1Cc2ccccc2NC1=O)c1cccc([N+](=O)[O-])c1 ZINC000599075303 460153510 /nfs/dbraw/zinc/15/35/10/460153510.db2.gz UHCPKIOICSLJRK-RDJZCZTQSA-N 1 0 325.368 3.199 20 5 EGBDRO CC[C@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1)c1cccc([N+](=O)[O-])c1 ZINC000599082983 460154821 /nfs/dbraw/zinc/15/48/21/460154821.db2.gz MTRJJUYZPLIVFX-JZXOWHBKSA-N 1 0 343.383 3.266 20 5 EGBDRO O=c1[nH]cccc1C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000599083837 460154869 /nfs/dbraw/zinc/15/48/69/460154869.db2.gz MZFZKSWHQVXNJR-CJNGLKHVSA-N 1 0 327.384 3.196 20 5 EGBDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000610543139 460180010 /nfs/dbraw/zinc/18/00/10/460180010.db2.gz NWXBBFDLVGSCQR-SFHVURJKSA-N 1 0 343.402 3.440 20 5 EGBDRO Cc1ccc(OCC[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)cc1 ZINC000610580830 460188722 /nfs/dbraw/zinc/18/87/22/460188722.db2.gz ONULDMRDIKGWNP-UHFFFAOYSA-N 1 0 327.340 3.213 20 5 EGBDRO C[C@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000602958788 460201727 /nfs/dbraw/zinc/20/17/27/460201727.db2.gz HVCJOTAGGRRDKX-CJNGLKHVSA-N 1 0 334.420 3.179 20 5 EGBDRO Cc1cccc(C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)c1[N+](=O)[O-] ZINC000598218075 460208306 /nfs/dbraw/zinc/20/83/06/460208306.db2.gz DZGLUWAJUWBTAZ-AWEZNQCLSA-N 1 0 331.416 3.040 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000598218888 460210155 /nfs/dbraw/zinc/21/01/55/460210155.db2.gz IUCHLEXMZLLMPB-HNNXBMFYSA-N 1 0 345.443 3.348 20 5 EGBDRO Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000598220930 460211379 /nfs/dbraw/zinc/21/13/79/460211379.db2.gz RQSNTEIZZITZQB-HNNXBMFYSA-N 1 0 331.416 3.040 20 5 EGBDRO CCC[C@@H]([NH3+])c1cn(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)nn1 ZINC000603230500 460268427 /nfs/dbraw/zinc/26/84/27/460268427.db2.gz AIRUYRISSDNXGJ-GFCCVEGCSA-N 1 0 343.309 3.053 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)n1cc(CC[NH+]2CCCCC2)nn1 ZINC000603250951 460273291 /nfs/dbraw/zinc/27/32/91/460273291.db2.gz MXDWWZXDXLKVBU-OAHLLOKOSA-N 1 0 343.431 3.132 20 5 EGBDRO O=[N+]([O-])c1ccsc1N1CCC([NH2+]CCOc2ccccc2)CC1 ZINC000611411887 460359006 /nfs/dbraw/zinc/35/90/06/460359006.db2.gz ANFCLVQOVFPQRZ-UHFFFAOYSA-N 1 0 347.440 3.294 20 5 EGBDRO COCC[N@H+](C)CCCC1CCN(c2sccc2[N+](=O)[O-])CC1 ZINC000611414381 460359843 /nfs/dbraw/zinc/35/98/43/460359843.db2.gz YZKQCXLOHONHTN-UHFFFAOYSA-N 1 0 341.477 3.231 20 5 EGBDRO CCC[C@H]1CN(c2cccnc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000611415401 460360146 /nfs/dbraw/zinc/36/01/46/460360146.db2.gz YSMWDWNFQOAODB-KRWDZBQOSA-N 1 0 340.427 3.481 20 5 EGBDRO CC[C@@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000611433800 460364471 /nfs/dbraw/zinc/36/44/71/460364471.db2.gz WISLIDGJVYHXQP-FUHWJXTLSA-N 1 0 336.432 3.283 20 5 EGBDRO CC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])c2ccccc21 ZINC000611442765 460366893 /nfs/dbraw/zinc/36/68/93/460366893.db2.gz XSNUPSKEMYMJSK-MRXNPFEDSA-N 1 0 325.368 3.182 20 5 EGBDRO CC[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)C[C@@H]1C ZINC000619527328 460375186 /nfs/dbraw/zinc/37/51/86/460375186.db2.gz JZSKEFLNZCVEPV-ZDUSSCGKSA-N 1 0 344.390 3.326 20 5 EGBDRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000619566054 460385251 /nfs/dbraw/zinc/38/52/51/460385251.db2.gz WERZKHJLGXNHTD-CHWSQXEVSA-N 1 0 333.413 3.022 20 5 EGBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]CC1CCC(F)(F)CC1)OCCO2 ZINC000619715630 460421215 /nfs/dbraw/zinc/42/12/15/460421215.db2.gz VDMHRZXICZFHFA-UHFFFAOYSA-N 1 0 342.342 3.281 20 5 EGBDRO O=[N+]([O-])c1ncccc1NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000604512057 460438963 /nfs/dbraw/zinc/43/89/63/460438963.db2.gz SNBBXXGGJRCYAR-ZDUSSCGKSA-N 1 0 332.429 3.375 20 5 EGBDRO COc1ccccc1N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000604532725 460442152 /nfs/dbraw/zinc/44/21/52/460442152.db2.gz XRNNAKUUIZJDAZ-UHFFFAOYSA-N 1 0 341.411 3.362 20 5 EGBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccsc2)c([N+](=O)[O-])c1 ZINC000619782883 460443037 /nfs/dbraw/zinc/44/30/37/460443037.db2.gz NGDOIAOLRYBQSC-NSHDSACASA-N 1 0 349.412 3.344 20 5 EGBDRO CCC(O)(CC)C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000600215421 460446819 /nfs/dbraw/zinc/44/68/19/460446819.db2.gz KPWWVSLUOVRRRX-UHFFFAOYSA-N 1 0 332.347 3.179 20 5 EGBDRO Cc1cc(-c2nc(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)no2)ccc1[N+](=O)[O-] ZINC000612954311 460781543 /nfs/dbraw/zinc/78/15/43/460781543.db2.gz GMIMMPBJMVETTI-AGUYFDCRSA-N 1 0 328.372 3.293 20 5 EGBDRO COc1cc(C[NH+](C)C)ccc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000601621954 460848814 /nfs/dbraw/zinc/84/88/14/460848814.db2.gz QDYDELSWAURRDF-UHFFFAOYSA-N 1 0 343.383 3.226 20 5 EGBDRO C[C@@H](C[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1)c1nccs1 ZINC000183977982 533746770 /nfs/dbraw/zinc/74/67/70/533746770.db2.gz NZYVAVCTAVAAFA-JTQLQIEISA-N 1 0 332.385 3.428 20 5 EGBDRO C[C@H](NC(=O)c1cc(F)ccc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181677388 533747187 /nfs/dbraw/zinc/74/71/87/533747187.db2.gz GQDUUKGTKYHCHG-QWHCGFSZSA-N 1 0 349.406 3.117 20 5 EGBDRO COc1cc(C[NH2+][C@@H]2CC(C)(C)OC2(C)C)c([N+](=O)[O-])cc1F ZINC000189237518 533893174 /nfs/dbraw/zinc/89/31/74/533893174.db2.gz PRJGVKIWQHIFKX-CQSZACIVSA-N 1 0 326.368 3.178 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000174189336 534338742 /nfs/dbraw/zinc/33/87/42/534338742.db2.gz LXYOOHUZXFIEQA-AWEZNQCLSA-N 1 0 334.420 3.241 20 5 EGBDRO CCC[C@H]([NH2+]CC1(N(C)C)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000168310476 528217189 /nfs/dbraw/zinc/21/71/89/528217189.db2.gz WMCXUGLDDLDHBX-KRWDZBQOSA-N 1 0 335.448 3.136 20 5 EGBDRO CCOCCC[N@@H+]1CC[C@@H](NCc2cccc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000187012819 528663988 /nfs/dbraw/zinc/66/39/88/528663988.db2.gz QFSXZIROJOVLEI-CRAIPNDOSA-N 1 0 349.475 3.130 20 5 EGBDRO CCCn1ccnc1CCC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC ZINC000191492710 528862520 /nfs/dbraw/zinc/86/25/20/528862520.db2.gz VMASZKAEOBHQHU-UHFFFAOYSA-N 1 0 346.431 3.275 20 5 EGBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000155073621 529013859 /nfs/dbraw/zinc/01/38/59/529013859.db2.gz ZJIOOIAJFRBYMB-LBPRGKRZSA-N 1 0 339.823 3.098 20 5 EGBDRO CC[C@](C)([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1nc(C)cs1 ZINC000154599253 529370974 /nfs/dbraw/zinc/37/09/74/529370974.db2.gz ZGKRCSZWEINCLN-HOCLYGCPSA-N 1 0 335.429 3.308 20 5 EGBDRO CO[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000266136081 536591056 /nfs/dbraw/zinc/59/10/56/536591056.db2.gz FLXKJJMNWPSEEE-GXTWGEPZSA-N 1 0 343.221 3.405 20 5 EGBDRO COc1ccc2c(c1OC)CC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C2 ZINC000196433650 575316029 /nfs/dbraw/zinc/31/60/29/575316029.db2.gz AQPZCXUABQAJPA-UHFFFAOYSA-N 1 0 342.395 3.213 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]CCn1ccc(C(F)(F)F)n1 ZINC000895930886 1309596701 /nfs/dbraw/zinc/59/67/01/1309596701.db2.gz DTPFSTCDQYNRFX-UHFFFAOYSA-N 1 0 348.712 3.253 20 5 EGBDRO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000041701539 1291419579 /nfs/dbraw/zinc/41/95/79/1291419579.db2.gz QUJMHOWZYHTBCJ-OAHLLOKOSA-N 1 0 349.431 3.126 20 5 EGBDRO C[NH+]1CCC2(CCCN(c3nccc4c3cccc4[N+](=O)[O-])C2)CC1 ZINC000828077706 1292427716 /nfs/dbraw/zinc/42/77/16/1292427716.db2.gz SBCSHBNRBOLONG-UHFFFAOYSA-N 1 0 340.427 3.455 20 5 EGBDRO CS[C@H]1CC[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000128645300 1293600121 /nfs/dbraw/zinc/60/01/21/1293600121.db2.gz JYDDWORJPIUKFY-PBHICJAKSA-N 1 0 335.473 3.437 20 5 EGBDRO C[C@@H]1CCC[C@@H]([N@H+](C)Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C1 ZINC000172894795 1294448245 /nfs/dbraw/zinc/44/82/45/1294448245.db2.gz XNBLSASWSFRHGQ-UKRRQHHQSA-N 1 0 329.404 3.321 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000872022700 1296664920 /nfs/dbraw/zinc/66/49/20/1296664920.db2.gz YPFGQZGCSLZPDH-STQMWFEESA-N 1 0 335.473 3.452 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCO[C@@H]1CCOC1 ZINC000872043589 1296692928 /nfs/dbraw/zinc/69/29/28/1296692928.db2.gz ZMHIRPDDMKXGJA-GXTWGEPZSA-N 1 0 340.445 3.163 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)CC[S@@](C)=O ZINC000872047947 1296699155 /nfs/dbraw/zinc/69/91/55/1296699155.db2.gz DXBGJOIWVHFBAQ-ZPMVXHMNSA-N 1 0 330.475 3.124 20 5 EGBDRO C[C@H]1[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCN1C(=O)OC(C)(C)C ZINC000310836183 1297102240 /nfs/dbraw/zinc/10/22/40/1297102240.db2.gz LTJDVFLMSRREHP-BBRMVZONSA-N 1 0 349.431 3.472 20 5 EGBDRO [NH3+]C1(CNc2ccc(Br)cc2[N+](=O)[O-])CCCCC1 ZINC000311947520 1297113553 /nfs/dbraw/zinc/11/35/53/1297113553.db2.gz KRJMFMMKMCKAHI-UHFFFAOYSA-N 1 0 328.210 3.431 20 5 EGBDRO CC(=O)Nc1ccc(CC[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000873041495 1297241790 /nfs/dbraw/zinc/24/17/90/1297241790.db2.gz IFBSZUFWTWARPV-UHFFFAOYSA-N 1 0 327.384 3.194 20 5 EGBDRO CC[C@H]([NH2+]C1CN(C(=O)OC(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000379783543 1297539820 /nfs/dbraw/zinc/53/98/20/1297539820.db2.gz FGARCQXRPHPXSP-HNNXBMFYSA-N 1 0 335.404 3.255 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000873790909 1297688491 /nfs/dbraw/zinc/68/84/91/1297688491.db2.gz XWUDGDDCYHJVMX-QGZVFWFLSA-N 1 0 341.411 3.244 20 5 EGBDRO O=C(CC[NH2+]C1(c2ccccc2F)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411468286 1297771215 /nfs/dbraw/zinc/77/12/15/1297771215.db2.gz GPKNYZHZNZMPGV-UHFFFAOYSA-N 1 0 343.358 3.341 20 5 EGBDRO CC(C)(C)OC(=O)N1CC[C@](C)([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000701917517 1298191051 /nfs/dbraw/zinc/19/10/51/1298191051.db2.gz CCNAQAYXPPHZGW-KRWDZBQOSA-N 1 0 335.404 3.084 20 5 EGBDRO O=C(Nc1cc([N+](=O)[O-])ccc1F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000875054161 1298215957 /nfs/dbraw/zinc/21/59/57/1298215957.db2.gz IXGDLGGYBHSLPG-AWEZNQCLSA-N 1 0 343.358 3.195 20 5 EGBDRO C[C@@H]1C[N@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C(C)(C)C1 ZINC000746677849 1298640286 /nfs/dbraw/zinc/64/02/86/1298640286.db2.gz GOFOILSVTBZTPG-JTQLQIEISA-N 1 0 325.796 3.307 20 5 EGBDRO Cc1nnc([C@@H]2CCC[N@H+](Cc3c(C)ccc([N+](=O)[O-])c3C)C2)[nH]1 ZINC000876810020 1299003674 /nfs/dbraw/zinc/00/36/74/1299003674.db2.gz LSMLHSCNRIMTGS-CQSZACIVSA-N 1 0 329.404 3.018 20 5 EGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]C[C@@H](O)c1ccccc1 ZINC000876890573 1299052196 /nfs/dbraw/zinc/05/21/96/1299052196.db2.gz CDIKBYIKLQGHLB-OAHLLOKOSA-N 1 0 340.301 3.437 20 5 EGBDRO O=C1CCCN1c1ccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000876902695 1299058437 /nfs/dbraw/zinc/05/84/37/1299058437.db2.gz QAAWOPOFJKKYTK-UHFFFAOYSA-N 1 0 339.395 3.054 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H](O)c2c(F)cccc2Cl)cc1 ZINC000877058031 1299138015 /nfs/dbraw/zinc/13/80/15/1299138015.db2.gz SSJRHHUFXFHKCH-OAHLLOKOSA-N 1 0 338.766 3.253 20 5 EGBDRO C[C@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])[C@@H](O)c1cccc(F)c1 ZINC000749119439 1299147289 /nfs/dbraw/zinc/14/72/89/1299147289.db2.gz SFUNDJLHEONLEG-IUAXSJIISA-N 1 0 330.359 3.459 20 5 EGBDRO O=[N+]([O-])c1ccc2oc(=S)n(C[N@@H+]3CC[C@@H]([C@H]4CCOC4)C3)c2c1 ZINC000749796767 1299274504 /nfs/dbraw/zinc/27/45/04/1299274504.db2.gz IYGUQTOLXREUNL-NEPJUHHUSA-N 1 0 349.412 3.188 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@H+](CCc2ccc(F)cc2)C2CC2)c1 ZINC000750072759 1299333676 /nfs/dbraw/zinc/33/36/76/1299333676.db2.gz DKNTYYMGHBTLQP-LJQANCHMSA-N 1 0 344.386 3.474 20 5 EGBDRO CCC(CC)[N@H+](CCOC)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878049020 1299725345 /nfs/dbraw/zinc/72/53/45/1299725345.db2.gz VDXYBIVDINLJOK-UHFFFAOYSA-N 1 0 348.403 3.282 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000754452672 1300146201 /nfs/dbraw/zinc/14/62/01/1300146201.db2.gz HIZIOTWVLRRZQX-ZDUSSCGKSA-N 1 0 334.420 3.208 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)c1ccc(C)s1 ZINC000754674093 1300189232 /nfs/dbraw/zinc/18/92/32/1300189232.db2.gz LWELQMNYHMESJC-NSHDSACASA-N 1 0 349.412 3.263 20 5 EGBDRO Cc1cc(F)cc(C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000758416727 1300878095 /nfs/dbraw/zinc/87/80/95/1300878095.db2.gz FBFCEFQGSOORGE-CHWSQXEVSA-N 1 0 337.395 3.035 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc(-n3ccnc3)nc2)cc1Cl ZINC000761520322 1301490445 /nfs/dbraw/zinc/49/04/45/1301490445.db2.gz AJJUIVHEAZKMOP-UHFFFAOYSA-N 1 0 343.774 3.119 20 5 EGBDRO Cc1ccccc1C[N@@H+]1CCCN(c2ccnc(F)c2[N+](=O)[O-])CC1 ZINC000881803052 1301726282 /nfs/dbraw/zinc/72/62/82/1301726282.db2.gz XYRYNKPXECPJIB-UHFFFAOYSA-N 1 0 344.390 3.150 20 5 EGBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)Cc1ccco1 ZINC000764773414 1302131737 /nfs/dbraw/zinc/13/17/37/1302131737.db2.gz HVQYICQRPRXIAF-QWHCGFSZSA-N 1 0 331.372 3.126 20 5 EGBDRO CC[C@@H]([NH2+]C[C@H](O)COc1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000765286838 1302238401 /nfs/dbraw/zinc/23/84/01/1302238401.db2.gz GPEBXEKPXJDOEP-FUHWJXTLSA-N 1 0 348.374 3.215 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2CCOc3c(Cl)cccc32)cc1 ZINC000765850358 1302339811 /nfs/dbraw/zinc/33/98/11/1302339811.db2.gz XNKADTPGEFCPEB-HZPDHXFCSA-N 1 0 348.786 3.395 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C1CCN(C[C@@H]2CCCO2)CC1 ZINC000765977681 1302363450 /nfs/dbraw/zinc/36/34/50/1302363450.db2.gz RWZITGDAQHXARU-YJBOKZPZSA-N 1 0 347.459 3.197 20 5 EGBDRO CCn1c(SCC[NH+]2CCCC2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000768413437 1302897889 /nfs/dbraw/zinc/89/78/89/1302897889.db2.gz WNVIHHFJYLDICT-UHFFFAOYSA-N 1 0 347.444 3.061 20 5 EGBDRO COc1cc(N2CCC(c3[nH]c(C)c(C)[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000884707501 1302959670 /nfs/dbraw/zinc/95/96/70/1302959670.db2.gz OHOFMXVPKMAIOT-UHFFFAOYSA-N 1 0 330.388 3.327 20 5 EGBDRO Cc1c(C[N@@H+](C)CCN(C)C(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC000768743598 1302969263 /nfs/dbraw/zinc/96/92/63/1302969263.db2.gz GEWRFRAVBKEWAO-UHFFFAOYSA-N 1 0 337.420 3.202 20 5 EGBDRO C[N@H+](CCOC(=O)c1ccc([N+](=O)[O-])s1)Cc1ccc(F)cc1 ZINC000769047096 1303036496 /nfs/dbraw/zinc/03/64/96/1303036496.db2.gz UQDHBAPXUUIWOO-UHFFFAOYSA-N 1 0 338.360 3.084 20 5 EGBDRO CS[C@H]1CN(c2c(C)cc([N+](=O)[O-])cc2Cl)C[C@H]1[NH+](C)C ZINC000770132048 1303225983 /nfs/dbraw/zinc/22/59/83/1303225983.db2.gz MPFIWTMDYQOLGT-OLZOCXBDSA-N 1 0 329.853 3.038 20 5 EGBDRO CC(C)c1ccc(C[NH2+]C[C@H]2COC3(CCCC3)O2)cc1[N+](=O)[O-] ZINC000773415829 1303675804 /nfs/dbraw/zinc/67/58/04/1303675804.db2.gz NNAWUJKSOOJHGN-HNNXBMFYSA-N 1 0 334.416 3.494 20 5 EGBDRO Cn1nc(CC[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])c2ccccc21 ZINC000775319353 1303938750 /nfs/dbraw/zinc/93/87/50/1303938750.db2.gz SORUUXXDYZEAEM-UHFFFAOYSA-N 1 0 344.802 3.467 20 5 EGBDRO CC[C@@H]1[C@H](C)CC[N@@H+]1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000775782141 1304036229 /nfs/dbraw/zinc/03/62/29/1304036229.db2.gz CBHVZTIVMNDONO-ZWNOBZJWSA-N 1 0 325.796 3.307 20 5 EGBDRO COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000775992782 1304076007 /nfs/dbraw/zinc/07/60/07/1304076007.db2.gz LKQHIRVJQQIORO-XJKSGUPXSA-N 1 0 340.807 3.460 20 5 EGBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000888286449 1304102067 /nfs/dbraw/zinc/10/20/67/1304102067.db2.gz KSYGXSXLVYNHFG-MNOVXSKESA-N 1 0 340.811 3.161 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@H+](CCc2ccccc2)C2CC2)cc1 ZINC000776580623 1304174936 /nfs/dbraw/zinc/17/49/36/1304174936.db2.gz XMSYKPOKSJRCMN-LJQANCHMSA-N 1 0 326.396 3.335 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCS[C@H](c3ccccc3)C2)cc1 ZINC000776584324 1304175166 /nfs/dbraw/zinc/17/51/66/1304175166.db2.gz LSMLHGCABHAJFK-MSOLQXFVSA-N 1 0 344.436 3.418 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CC[C@@H](Cc3ccccc3)C2)cc1 ZINC000776583911 1304175362 /nfs/dbraw/zinc/17/53/62/1304175362.db2.gz GYXCYPKYIVJIMO-QFBILLFUSA-N 1 0 326.396 3.193 20 5 EGBDRO CCC1(CC)[C@H](OC)C[C@@H]1[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776590721 1304176868 /nfs/dbraw/zinc/17/68/68/1304176868.db2.gz HFYUPKZMULMVRS-IXDOHACOSA-N 1 0 336.432 3.154 20 5 EGBDRO CCC1(CC)[C@H](OC)C[C@H]1[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776590719 1304176904 /nfs/dbraw/zinc/17/69/04/1304176904.db2.gz HFYUPKZMULMVRS-GVDBMIGSSA-N 1 0 336.432 3.154 20 5 EGBDRO CC1(C)c2ccccc2CC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776605364 1304179461 /nfs/dbraw/zinc/17/94/61/1304179461.db2.gz KSMLNGCBHCFXJB-SFHVURJKSA-N 1 0 326.396 3.422 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3CCC(F)(F)C3)CC2)cc1 ZINC000777243774 1304274473 /nfs/dbraw/zinc/27/44/73/1304274473.db2.gz YITMZZWWNIBYJL-ZDUSSCGKSA-N 1 0 325.359 3.341 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)c1C ZINC000889018519 1304360986 /nfs/dbraw/zinc/36/09/86/1304360986.db2.gz CVYXJPCABCASHE-HNNXBMFYSA-N 1 0 335.448 3.308 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2cnn(C[N@@H+]3CC[C@@H](c4ccco4)C3)c2)c1 ZINC000777956035 1304371919 /nfs/dbraw/zinc/37/19/19/1304371919.db2.gz YBFTZUFAZSBSOO-OAHLLOKOSA-N 1 0 338.367 3.498 20 5 EGBDRO CC1(C)C[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C(C)(C)O1 ZINC000779176511 1304538346 /nfs/dbraw/zinc/53/83/46/1304538346.db2.gz QSSSSHZNSINWEJ-QGZVFWFLSA-N 1 0 347.459 3.499 20 5 EGBDRO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000780385827 1304683896 /nfs/dbraw/zinc/68/38/96/1304683896.db2.gz SNVNQLASPRNEFD-QKCSRTOESA-N 1 0 332.322 3.291 20 5 EGBDRO CC(=O)NC1CCC([N@H+](C)Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000783666607 1305125367 /nfs/dbraw/zinc/12/53/67/1305125367.db2.gz IFJLUQBZPRGAKE-UHFFFAOYSA-N 1 0 339.823 3.127 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3C[C@H]4C[C@@]4(CO)C3)o2)c(Cl)c1 ZINC000783735665 1305136139 /nfs/dbraw/zinc/13/61/39/1305136139.db2.gz RSNJCDFOQZWVGD-DIFFPNOSSA-N 1 0 348.786 3.322 20 5 EGBDRO CC(C)[C@H](C(=O)OCc1ccc([N+](=O)[O-])c(F)c1)[NH+]1CCCCC1 ZINC000783775628 1305144867 /nfs/dbraw/zinc/14/48/67/1305144867.db2.gz HDKALQRMDPPTHK-MRXNPFEDSA-N 1 0 338.379 3.288 20 5 EGBDRO COc1c(O)ccc(C[N@@H+]2CC[C@@H](c3cccc(F)c3)C2)c1[N+](=O)[O-] ZINC000891942119 1305216284 /nfs/dbraw/zinc/21/62/84/1305216284.db2.gz CYYLTOPIUHVDLR-CYBMUJFWSA-N 1 0 346.358 3.438 20 5 EGBDRO CC[C@@](C)([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000784264728 1305217828 /nfs/dbraw/zinc/21/78/28/1305217828.db2.gz DGPLHYHGBIBPCY-VQIMIIECSA-N 1 0 344.411 3.250 20 5 EGBDRO COc1c(O)ccc(C[NH2+][C@H](C)COc2cccc(C)c2)c1[N+](=O)[O-] ZINC000892664010 1305493606 /nfs/dbraw/zinc/49/36/06/1305493606.db2.gz ZYSHFEJOJAQWFA-CYBMUJFWSA-N 1 0 346.383 3.175 20 5 EGBDRO CC[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C[C@@H]1COc2ccccc2O1 ZINC000788473901 1305951026 /nfs/dbraw/zinc/95/10/26/1305951026.db2.gz BNPHSHDJVFEESX-CQSZACIVSA-N 1 0 346.358 3.396 20 5 EGBDRO CC1(C)C[C@@H]([NH2+]CCOc2cccnc2)c2cc([N+](=O)[O-])ccc21 ZINC000788581194 1305975104 /nfs/dbraw/zinc/97/51/04/1305975104.db2.gz SETSTKWOMKXPDN-QGZVFWFLSA-N 1 0 327.384 3.381 20 5 EGBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])[C@@]12CCCO2 ZINC000893577846 1305976432 /nfs/dbraw/zinc/97/64/32/1305976432.db2.gz BYWLVQPENZEFNT-XHSDSOJGSA-N 1 0 340.807 3.064 20 5 EGBDRO C[C@@H]1C[N@@H+](CCCNc2cc(Cl)ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000791407480 1308985208 /nfs/dbraw/zinc/98/52/08/1308985208.db2.gz KTGMTMIIXDHZLK-TXEJJXNPSA-N 1 0 327.812 3.159 20 5 EGBDRO O=C(NCCC[NH2+]C1CCCCC1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000895129762 1309201725 /nfs/dbraw/zinc/20/17/25/1309201725.db2.gz FWWOGNFCFQDTRY-QZTJIDSGSA-N 1 0 345.443 3.127 20 5 EGBDRO C[C@]12CC[N@H+](CCOc3cccc([N+](=O)[O-])c3)C[C@H]1C2(Cl)Cl ZINC000792915574 1309257925 /nfs/dbraw/zinc/25/79/25/1309257925.db2.gz YUULZYQEIMGRHU-KGLIPLIRSA-N 1 0 345.226 3.489 20 5 EGBDRO C[C@H](C[NH+](C)C)[C@@H]1CCCCN1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000895378530 1309307252 /nfs/dbraw/zinc/30/72/52/1309307252.db2.gz IMAMGLCJWHJNRU-CJNGLKHVSA-N 1 0 346.431 3.288 20 5 EGBDRO C[N@H+](Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CCC(C)(C)C1 ZINC000794688185 1309576932 /nfs/dbraw/zinc/57/69/32/1309576932.db2.gz WKTMUPPOWJUAHR-OAHLLOKOSA-N 1 0 329.404 3.321 20 5 EGBDRO Cc1nn(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)cc1[N+](=O)[O-] ZINC000795682993 1309807057 /nfs/dbraw/zinc/80/70/57/1309807057.db2.gz ZLRGCUVRUOLZIE-GVDBMIGSSA-N 1 0 326.400 3.325 20 5 EGBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@H](O)c1ccc(Cl)cc1 ZINC000796113119 1309910526 /nfs/dbraw/zinc/91/05/26/1309910526.db2.gz LQSGORSPKIBGIO-KRWDZBQOSA-N 1 0 334.803 3.456 20 5 EGBDRO C[N@H+](CCC(=O)OCc1ccccc1)CCc1ccccc1[N+](=O)[O-] ZINC000796115113 1309911295 /nfs/dbraw/zinc/91/12/95/1309911295.db2.gz WQZLPRSLNHCHRU-UHFFFAOYSA-N 1 0 342.395 3.203 20 5 EGBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000896611529 1309937241 /nfs/dbraw/zinc/93/72/41/1309937241.db2.gz BAMACWLPVZCTMG-CABCVRRESA-N 1 0 348.447 3.029 20 5 EGBDRO COc1ccc(C[NH2+][C@@H](C)[C@H](O)c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000796480465 1310012214 /nfs/dbraw/zinc/01/22/14/1310012214.db2.gz MBGPUNIXWGOPRW-UGSOOPFHSA-N 1 0 330.384 3.124 20 5 EGBDRO CN(CCC[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1OC(F)F ZINC000798403620 1310355257 /nfs/dbraw/zinc/35/52/57/1310355257.db2.gz DJNUWCUTIHEHMZ-UHFFFAOYSA-N 1 0 329.347 3.118 20 5 EGBDRO CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC000898463312 1310745112 /nfs/dbraw/zinc/74/51/12/1310745112.db2.gz XUJNBZVIYCKZKR-LLVKDONJSA-N 1 0 330.388 3.248 20 5 EGBDRO COC(=O)[C@H](C)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1ccccc1 ZINC000801523141 1310953091 /nfs/dbraw/zinc/95/30/91/1310953091.db2.gz CKTSMGOVPMLRIA-SJKOYZFVSA-N 1 0 346.358 3.374 20 5 EGBDRO C[NH+](C)C1(CNC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000929304421 1328561820 /nfs/dbraw/zinc/56/18/20/1328561820.db2.gz GGEBTFUXMGMDCN-DLBZAZTESA-N 1 0 345.443 3.079 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1-c1nc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)no1 ZINC000900016906 1317218146 /nfs/dbraw/zinc/21/81/46/1317218146.db2.gz SMMYTPYREANMRE-FGWVZKOKSA-N 1 0 346.412 3.365 20 5 EGBDRO O=[N+]([O-])c1cccc([N+](=O)[O-])c1N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000804326182 1317219592 /nfs/dbraw/zinc/21/95/92/1317219592.db2.gz KNWPAZCSNZANRD-CQSZACIVSA-N 1 0 342.355 3.189 20 5 EGBDRO C[NH+](C)CCc1ccc(Nc2c([N+](=O)[O-])cccc2[N+](=O)[O-])cc1 ZINC000804441814 1317237486 /nfs/dbraw/zinc/23/74/86/1317237486.db2.gz JTTXKXLCAHNADU-UHFFFAOYSA-N 1 0 330.344 3.351 20 5 EGBDRO Nc1ccc(NC[C@H]2CCC[N@@H+]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000804460650 1317239410 /nfs/dbraw/zinc/23/94/10/1317239410.db2.gz SNCMBSAIGJUDFW-MRXNPFEDSA-N 1 0 326.400 3.254 20 5 EGBDRO C[C@H](CCNc1ccc(N)cc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000804531134 1317256232 /nfs/dbraw/zinc/25/62/32/1317256232.db2.gz KHCHHDLWKOOKIT-CQSZACIVSA-N 1 0 328.416 3.500 20 5 EGBDRO CCC(=O)N1CCC2(CC1)CC[NH+](Cc1cccc([N+](=O)[O-])c1)CC2 ZINC000957481768 1317390459 /nfs/dbraw/zinc/39/04/59/1317390459.db2.gz PFLSYVJTSUMNJB-UHFFFAOYSA-N 1 0 345.443 3.209 20 5 EGBDRO CCC(=O)N1CCC2(CC1)CC[NH+](Cc1ccccc1[N+](=O)[O-])CC2 ZINC000957481964 1317391652 /nfs/dbraw/zinc/39/16/52/1317391652.db2.gz XOFOGJZHGIEESH-UHFFFAOYSA-N 1 0 345.443 3.209 20 5 EGBDRO [NH3+]CCCCc1cc(-c2ccc(N3CCCC3)c([N+](=O)[O-])c2)no1 ZINC000901397626 1317417643 /nfs/dbraw/zinc/41/76/43/1317417643.db2.gz APCIJUCZUGLIPV-UHFFFAOYSA-N 1 0 330.388 3.131 20 5 EGBDRO Cc1ccsc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001019940226 1317467987 /nfs/dbraw/zinc/46/79/87/1317467987.db2.gz AZZHEDQDZVOVCD-HDJSIYSDSA-N 1 0 345.424 3.015 20 5 EGBDRO CCC(=O)N1CCC(C[N@@H+](CC)Cc2csc([N+](=O)[O-])c2)CC1 ZINC000957656646 1317528214 /nfs/dbraw/zinc/52/82/14/1317528214.db2.gz NHGFZSDIVQZKPY-UHFFFAOYSA-N 1 0 339.461 3.127 20 5 EGBDRO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)CC1CCN(C(=O)C2CC2)CC1 ZINC000957659249 1317529108 /nfs/dbraw/zinc/52/91/08/1317529108.db2.gz WVHKYVQWWCCJTK-UHFFFAOYSA-N 1 0 345.443 3.065 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCOC1CCSCC1)CCC2 ZINC000903446839 1317701104 /nfs/dbraw/zinc/70/11/04/1317701104.db2.gz VLFTTXNKYDUSLV-KRWDZBQOSA-N 1 0 336.457 3.474 20 5 EGBDRO C[C@H]([NH3+])[C@@H]1CCCCN1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000903713534 1317724207 /nfs/dbraw/zinc/72/42/07/1317724207.db2.gz UQBNCTVNFLQRQN-GWCFXTLKSA-N 1 0 342.237 3.059 20 5 EGBDRO CCCN(CC[NH+]1CCCCCC1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000808781568 1317732819 /nfs/dbraw/zinc/73/28/19/1317732819.db2.gz IXCXWNVXUCPLFM-LJQANCHMSA-N 1 0 349.475 3.216 20 5 EGBDRO [NH3+]CCN(Cc1cnc(-c2ccccc2)nc1)c1ccc([N+](=O)[O-])cc1 ZINC000809734447 1317882969 /nfs/dbraw/zinc/88/29/69/1317882969.db2.gz DTHZWLFDDPTGQE-UHFFFAOYSA-N 1 0 349.394 3.017 20 5 EGBDRO [NH3+]CCN(C/C=C\c1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000809736304 1317884710 /nfs/dbraw/zinc/88/47/10/1317884710.db2.gz ODGCOYDZEAERBD-UPHRSURJSA-N 1 0 333.338 3.352 20 5 EGBDRO Cc1cc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccccc3[N+](=O)[O-])C2)cs1 ZINC001020752589 1317905403 /nfs/dbraw/zinc/90/54/03/1317905403.db2.gz UYIXYTGFKBQJDA-SHTZXODSSA-N 1 0 345.424 3.015 20 5 EGBDRO C[N@@H+]1CCN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C(C)(C)C1 ZINC000809969678 1317927646 /nfs/dbraw/zinc/92/76/46/1317927646.db2.gz XYSJRQJUADTMKR-UHFFFAOYSA-N 1 0 332.231 3.428 20 5 EGBDRO CCCCN(C)C[C@@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000810245332 1317985484 /nfs/dbraw/zinc/98/54/84/1317985484.db2.gz ZFAOICVJZGZREJ-MRXNPFEDSA-N 1 0 348.491 3.274 20 5 EGBDRO C[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)N(C)Cc1ccccc1 ZINC000905851755 1318006938 /nfs/dbraw/zinc/00/69/38/1318006938.db2.gz CSZOXIYQANDQRR-HUUCEWRRSA-N 1 0 341.411 3.293 20 5 EGBDRO O=[N+]([O-])c1ccn(C2CC[NH+]([C@@H]3C[C@@H]3c3cccc(F)c3)CC2)n1 ZINC000906587345 1318120782 /nfs/dbraw/zinc/12/07/82/1318120782.db2.gz MLLXIAUNLPCXDV-HZPDHXFCSA-N 1 0 330.363 3.123 20 5 EGBDRO CC(=O)N1CCC([NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000811473207 1318182272 /nfs/dbraw/zinc/18/22/72/1318182272.db2.gz YGWPRADCNZTMHY-UHFFFAOYSA-N 1 0 346.214 3.002 20 5 EGBDRO C[C@@H]1CC[N@H+](CCNCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000811487236 1318183987 /nfs/dbraw/zinc/18/39/87/1318183987.db2.gz VCTMGWWCENXNQC-SNVBAGLBSA-N 1 0 332.231 3.333 20 5 EGBDRO CC[NH+](CC)Cc1ccc(-c2nc(CCC(C)(C)[N+](=O)[O-])no2)o1 ZINC000812815026 1318463694 /nfs/dbraw/zinc/46/36/94/1318463694.db2.gz VCHSQWLPYRPKET-UHFFFAOYSA-N 1 0 336.392 3.159 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(C[NH+](C)C)cc1C ZINC000909603153 1318499270 /nfs/dbraw/zinc/49/92/70/1318499270.db2.gz YRGXIIIBSTWTFF-UHFFFAOYSA-N 1 0 343.383 3.226 20 5 EGBDRO CC(=O)N(C)c1ccc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000858498234 1328779839 /nfs/dbraw/zinc/77/98/39/1328779839.db2.gz MMSKRQISHFVNIY-SFHVURJKSA-N 1 0 339.395 3.355 20 5 EGBDRO C[N@@H+]1CCC[C@@]2(CCN(c3ccc([N+](=O)[O-])cc3OC(F)F)C2)C1 ZINC000814910117 1318845664 /nfs/dbraw/zinc/84/56/64/1318845664.db2.gz QYYGQQPSVAGKNZ-MRXNPFEDSA-N 1 0 341.358 3.118 20 5 EGBDRO C[NH+](C)Cc1ccccc1NC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000930125614 1328791858 /nfs/dbraw/zinc/79/18/58/1328791858.db2.gz IVNSGWOGEMSOEY-SJORKVTESA-N 1 0 339.395 3.399 20 5 EGBDRO COC(=O)C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C1CC1 ZINC000815090336 1318888648 /nfs/dbraw/zinc/88/86/48/1318888648.db2.gz UUVCKNYBEMJDKN-CYBMUJFWSA-N 1 0 346.305 3.045 20 5 EGBDRO C[NH+](C)Cc1cccc(NC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC000930137928 1328795557 /nfs/dbraw/zinc/79/55/57/1328795557.db2.gz LVEOMERYQQBCCE-MSOLQXFVSA-N 1 0 339.395 3.399 20 5 EGBDRO O=C(OCc1ccccc1[N+](=O)[O-])[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000815448835 1318989063 /nfs/dbraw/zinc/98/90/63/1318989063.db2.gz VSLWZEBBDNHWAM-KRWDZBQOSA-N 1 0 332.400 3.435 20 5 EGBDRO C[C@@H]([NH2+]C[C@@H](Cc1ccccc1)N(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815553237 1319014635 /nfs/dbraw/zinc/01/46/35/1319014635.db2.gz VEPVUZQDGSAGST-RHSMWYFYSA-N 1 0 342.443 3.001 20 5 EGBDRO C[C@H]([NH2+][C@H](Cn1ccnc1)C(C)(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815562832 1319015842 /nfs/dbraw/zinc/01/58/42/1319015842.db2.gz NLPACURUUCZVPG-BLLLJJGKSA-N 1 0 331.420 3.139 20 5 EGBDRO C[C@@H]([NH2+]CCCc1nc2ccccc2[nH]1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815565895 1319017848 /nfs/dbraw/zinc/01/78/48/1319017848.db2.gz CYRCIXOHGACQRI-GFCCVEGCSA-N 1 0 339.399 3.337 20 5 EGBDRO COc1cccc(O[C@H](C)C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000815584064 1319020896 /nfs/dbraw/zinc/02/08/96/1319020896.db2.gz UWDDNQBJQRSFHH-CHWSQXEVSA-N 1 0 345.399 3.304 20 5 EGBDRO C[C@@H]([NH2+][C@@H]1CCOc2ccc(F)cc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815592864 1319024520 /nfs/dbraw/zinc/02/45/20/1319024520.db2.gz VAGXQECNQFAJKN-MEBBXXQBSA-N 1 0 331.347 3.491 20 5 EGBDRO C[C@@H]([NH2+]C1(c2ccc3c(c2)OCO3)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815608358 1319027831 /nfs/dbraw/zinc/02/78/31/1319027831.db2.gz YPFSAAQNTIKQOU-LLVKDONJSA-N 1 0 341.367 3.246 20 5 EGBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@H]([NH3+])CC1CCCCC1)CC2 ZINC000818608350 1319568001 /nfs/dbraw/zinc/56/80/01/1319568001.db2.gz AFZASKNYXPCHMJ-OAHLLOKOSA-N 1 0 331.416 3.090 20 5 EGBDRO Cc1cc(C)cc(C[C@H](C)[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000819110626 1319637847 /nfs/dbraw/zinc/63/78/47/1319637847.db2.gz FSENINYMRWKCML-HNAYVOBHSA-N 1 0 328.412 3.466 20 5 EGBDRO C[C@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)Sc1ccccc1 ZINC000819116037 1319640531 /nfs/dbraw/zinc/64/05/31/1319640531.db2.gz MDYAMFVVQXIDKJ-DYVFJYSZSA-N 1 0 332.425 3.399 20 5 EGBDRO CC[C@@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)Oc1cccc(F)c1 ZINC000819141923 1319647333 /nfs/dbraw/zinc/64/73/33/1319647333.db2.gz MHXSIHUNMTVDMW-FUHWJXTLSA-N 1 0 348.374 3.215 20 5 EGBDRO CCCOc1cccc(CC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000819180076 1319659284 /nfs/dbraw/zinc/65/92/84/1319659284.db2.gz SJYCCLJGMWEXBQ-IBGZPJMESA-N 1 0 344.411 3.249 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CC2(Cc3ccc(F)cc3)CC2)cc1 ZINC000819203327 1319667214 /nfs/dbraw/zinc/66/72/14/1319667214.db2.gz WCYFBWNVGQFJDI-GOSISDBHSA-N 1 0 344.386 3.380 20 5 EGBDRO CO[C@H](c1ccccc1F)[C@H](C)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819210903 1319669196 /nfs/dbraw/zinc/66/91/96/1319669196.db2.gz ZQUPETAAZARSNN-RZAIGCCYSA-N 1 0 348.374 3.133 20 5 EGBDRO CSc1cccc(F)c1C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819303668 1319692930 /nfs/dbraw/zinc/69/29/30/1319692930.db2.gz IYVQFWASFDHUTQ-HNNXBMFYSA-N 1 0 336.388 3.279 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@H]2CSc3ccccc32)cc1 ZINC000819336706 1319702906 /nfs/dbraw/zinc/70/29/06/1319702906.db2.gz KMLPBKMVSBWMQP-BBRMVZONSA-N 1 0 330.409 3.107 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000820490424 1319897643 /nfs/dbraw/zinc/89/76/43/1319897643.db2.gz JMCSBXRKGFWCDW-MRXNPFEDSA-N 1 0 345.443 3.016 20 5 EGBDRO CC[N@@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)C1 ZINC000825624769 1320350782 /nfs/dbraw/zinc/35/07/82/1320350782.db2.gz ROWAUNWXLCNQEA-GFCCVEGCSA-N 1 0 339.823 3.018 20 5 EGBDRO CCCC[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000825814294 1320364095 /nfs/dbraw/zinc/36/40/95/1320364095.db2.gz RWZXTHBIOXCVGE-UHFFFAOYSA-N 1 0 327.812 3.018 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)cc1Cl ZINC000836788918 1320534558 /nfs/dbraw/zinc/53/45/58/1320534558.db2.gz DOBGYVJQFFFXMP-NSHDSACASA-N 1 0 327.812 3.015 20 5 EGBDRO CS[C@H]1CCN(Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000930609180 1328912965 /nfs/dbraw/zinc/91/29/65/1328912965.db2.gz CJBUEZABKWEWHE-NSHDSACASA-N 1 0 331.235 3.295 20 5 EGBDRO CN(CCNC(=O)OC(C)(C)C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000839134171 1320877617 /nfs/dbraw/zinc/87/76/17/1320877617.db2.gz AVXJQVVOXJAZIR-UHFFFAOYSA-N 1 0 343.811 3.205 20 5 EGBDRO CC[C@@H]1CN(CC)CCN1C(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000839416185 1320915923 /nfs/dbraw/zinc/91/59/23/1320915923.db2.gz GTLFYGHQOCKPHF-GFCCVEGCSA-N 1 0 339.823 3.113 20 5 EGBDRO O=[N+]([O-])c1ccc(F)cc1C[NH2+]C1(CO)C2CC3CC(C2)CC1C3 ZINC000839648956 1320950890 /nfs/dbraw/zinc/95/08/90/1320950890.db2.gz CQPURIBPWOUABJ-UHFFFAOYSA-N 1 0 334.391 3.011 20 5 EGBDRO CO[C@@H]1CC[N@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)CC1(C)C ZINC000840123983 1321033468 /nfs/dbraw/zinc/03/34/68/1321033468.db2.gz IWKUFKXFUBCXBR-QGZVFWFLSA-N 1 0 344.415 3.163 20 5 EGBDRO [NH3+][C@@H]1CN(Cc2ccc([N+](=O)[O-])c(Cl)c2)C[C@H]1c1cccc(F)c1 ZINC000841103730 1321219077 /nfs/dbraw/zinc/21/90/77/1321219077.db2.gz JWQVJCDTGFTDAF-GOEBONIOSA-N 1 0 349.793 3.314 20 5 EGBDRO CC(C)Oc1cc(C(=O)O[C@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000842351254 1321375969 /nfs/dbraw/zinc/37/59/69/1321375969.db2.gz BIJOFCHMKCDPQE-CABCVRRESA-N 1 0 348.399 3.166 20 5 EGBDRO C[NH2+]C[C@H](C)c1noc([C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000842580114 1321403751 /nfs/dbraw/zinc/40/37/51/1321403751.db2.gz GQZOAKAMNHXTCG-IUCAKERBSA-N 1 0 340.767 3.094 20 5 EGBDRO Cc1nn(C[N@@H+]2CCC[C@H]2[C@@H]2CCCOC2)c2ccc([N+](=O)[O-])cc12 ZINC000842617002 1321406688 /nfs/dbraw/zinc/40/66/88/1321406688.db2.gz PJCUEJAFIIFTJX-PBHICJAKSA-N 1 0 344.415 3.101 20 5 EGBDRO CCC[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H](O)c1ccccc1 ZINC000843089712 1321467710 /nfs/dbraw/zinc/46/77/10/1321467710.db2.gz RSZMRTPYQCGOLJ-FHWLQOOXSA-N 1 0 344.411 3.120 20 5 EGBDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1c(C)c(F)ccc1[N+](=O)[O-] ZINC000843772302 1321546456 /nfs/dbraw/zinc/54/64/56/1321546456.db2.gz QWSDNQSRXKXKEJ-GFCCVEGCSA-N 1 0 339.411 3.283 20 5 EGBDRO CCC(CC)Nc1cc[nH+]cc1NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000848108911 1321933669 /nfs/dbraw/zinc/93/36/69/1321933669.db2.gz YBGKSPKNCBWNIH-UHFFFAOYSA-N 1 0 346.362 3.404 20 5 EGBDRO CCOC[C@H]1CCC[N@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C1 ZINC000848478740 1321963112 /nfs/dbraw/zinc/96/31/12/1321963112.db2.gz MTRNQUQLWAOSJI-HNNXBMFYSA-N 1 0 344.415 3.164 20 5 EGBDRO COCC[N@H+](Cn1cc(-c2ccccc2[N+](=O)[O-])cn1)C1CCCC1 ZINC000848476540 1321963161 /nfs/dbraw/zinc/96/31/61/1321963161.db2.gz AQOAHSXZDMVNAV-UHFFFAOYSA-N 1 0 344.415 3.307 20 5 EGBDRO CSC[C@H]1CCC[N@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C1 ZINC000848491134 1321964913 /nfs/dbraw/zinc/96/49/13/1321964913.db2.gz SMWDUYAAJGFUMG-AWEZNQCLSA-N 1 0 346.456 3.491 20 5 EGBDRO C[C@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])[C@@H](O)c1cccc(F)c1 ZINC000848533638 1321970744 /nfs/dbraw/zinc/97/07/44/1321970744.db2.gz MAETUTZFRNQENK-SDDDUWNISA-N 1 0 330.359 3.433 20 5 EGBDRO COc1ccc(NC(=[NH2+])NCc2cccc([N+](=O)[O-])c2C)cc1OC ZINC000849093247 1322074740 /nfs/dbraw/zinc/07/47/40/1322074740.db2.gz UDWFQDAGXXIEMX-UHFFFAOYSA-N 1 0 344.371 3.057 20 5 EGBDRO C[S@](=O)[C@H]1CCC[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000850354882 1322232254 /nfs/dbraw/zinc/23/22/54/1322232254.db2.gz BVSSMXILIFXDGX-KDKPCJNHSA-N 1 0 330.837 3.028 20 5 EGBDRO COC[C@H]([NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1cccc(OC)c1 ZINC000850514087 1322260186 /nfs/dbraw/zinc/26/01/86/1322260186.db2.gz LJAOBXWIOKVDNN-PXAZEXFGSA-N 1 0 345.399 3.224 20 5 EGBDRO CCOc1ccc([C@H](C)[NH2+]CC2SCCS2)cc1[N+](=O)[O-] ZINC000850560062 1322267454 /nfs/dbraw/zinc/26/74/54/1322267454.db2.gz HPNMKYKYIIVVCL-JTQLQIEISA-N 1 0 328.459 3.450 20 5 EGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(O)(Cc2ccccn2)CC1 ZINC000930983078 1329021040 /nfs/dbraw/zinc/02/10/40/1329021040.db2.gz NBBRXKFNTLLIBH-OAHLLOKOSA-N 1 0 341.411 3.120 20 5 EGBDRO CN(c1ccccc1)c1ccc(C[NH2+][C@H]2C[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000923007605 1322672978 /nfs/dbraw/zinc/67/29/78/1322672978.db2.gz KJOCCRMWSGBXHC-WKILWMFISA-N 1 0 341.411 3.223 20 5 EGBDRO COc1cc(NC[C@@H](C(C)C)[NH+]2CCCC2)c([N+](=O)[O-])cc1OC ZINC000853134621 1325054215 /nfs/dbraw/zinc/05/42/15/1325054215.db2.gz SCTXFEXGLHLXCM-HNNXBMFYSA-N 1 0 337.420 3.144 20 5 EGBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000925234221 1325089007 /nfs/dbraw/zinc/08/90/07/1325089007.db2.gz AZLRSMNKIDKIQR-CKEIUWERSA-N 1 0 348.447 3.170 20 5 EGBDRO CS[C@H]1CN(c2ccc(C(F)F)cc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000853460795 1325096460 /nfs/dbraw/zinc/09/64/60/1325096460.db2.gz KHWOEBOSCOYQSS-OLZOCXBDSA-N 1 0 331.388 3.014 20 5 EGBDRO CC(=O)N[C@@H](c1ccccc1F)[C@@H](C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000925311636 1325119332 /nfs/dbraw/zinc/11/93/32/1325119332.db2.gz SLHMDPOJQHLXHK-KZULUSFZSA-N 1 0 345.374 3.089 20 5 EGBDRO CC1C[C@H]2CC[C@@H](C1)[N@H+]2Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853606804 1325133399 /nfs/dbraw/zinc/13/33/99/1325133399.db2.gz SZBZSUUFWUDQSR-AGUYFDCRSA-N 1 0 327.388 3.074 20 5 EGBDRO Cc1c(Cc2noc(C[C@@H](C[NH3+])CC(C)C)n2)cccc1[N+](=O)[O-] ZINC000854142552 1325219255 /nfs/dbraw/zinc/21/92/55/1325219255.db2.gz RHBFQJBVHUIVRD-ZDUSSCGKSA-N 1 0 332.404 3.041 20 5 EGBDRO CC(C)[NH2+][C@@H]1CCCN(c2cccc(Br)c2[N+](=O)[O-])C1 ZINC000856726451 1325513279 /nfs/dbraw/zinc/51/32/79/1325513279.db2.gz GXHUFPVIHYFJTH-LLVKDONJSA-N 1 0 342.237 3.324 20 5 EGBDRO Cc1ccc([C@@H](CNc2cc(F)c([N+](=O)[O-])cc2CO)[NH+](C)C)cc1 ZINC000865475316 1329702781 /nfs/dbraw/zinc/70/27/81/1329702781.db2.gz KOMRXLOSBGGECI-GOSISDBHSA-N 1 0 347.390 3.249 20 5 EGBDRO COc1ccc(OCC[NH2+][C@H](c2ccncc2)C2CC2)c([N+](=O)[O-])c1 ZINC000934694536 1330000549 /nfs/dbraw/zinc/00/05/49/1330000549.db2.gz YVGJHHMPXJNELW-SFHVURJKSA-N 1 0 343.383 3.118 20 5 EGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H](C)C[C@H](O)c1ccco1 ZINC000866287838 1330091115 /nfs/dbraw/zinc/09/11/15/1330091115.db2.gz SEIPDEGZAHFNGH-HSMVNMDESA-N 1 0 336.363 3.360 20 5 EGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H](O)CCc1ccccc1 ZINC000866338522 1330098236 /nfs/dbraw/zinc/09/82/36/1330098236.db2.gz SRSZECGTMWMHNS-KBXCAEBGSA-N 1 0 346.402 3.248 20 5 EGBDRO Cc1cc([C@@H](C)NC(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)c(C)s1 ZINC000867957434 1330233154 /nfs/dbraw/zinc/23/31/54/1330233154.db2.gz MMBCBCNIPLPWDD-PIGZYNQJSA-N 1 0 347.440 3.324 20 5 EGBDRO C[C@]([NH3+])(C(=O)N[C@@H]1CCCc2sccc21)c1cccc([N+](=O)[O-])c1 ZINC000867977759 1330235682 /nfs/dbraw/zinc/23/56/82/1330235682.db2.gz PHZVAWVUXQLDGN-RHSMWYFYSA-N 1 0 345.424 3.024 20 5 EGBDRO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC001324144624 1387548072 /nfs/dbraw/zinc/54/80/72/1387548072.db2.gz CPJJIEDSDPFTBJ-ZYHUDNBSSA-N 1 0 340.811 3.243 20 5 EGBDRO COc1ccc(NC(=O)C[NH2+]C(C)(C)C2CCCCC2)c([N+](=O)[O-])c1 ZINC001324808450 1387780412 /nfs/dbraw/zinc/78/04/12/1387780412.db2.gz XLWOTLOVLWONSV-UHFFFAOYSA-N 1 0 349.431 3.490 20 5 EGBDRO CC[NH+](CC)C1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC001325374847 1387953872 /nfs/dbraw/zinc/95/38/72/1387953872.db2.gz CAVWVPHVQLGFGX-UHFFFAOYSA-N 1 0 338.383 3.072 20 5 EGBDRO CS[C@@H]1CC[C@H]([N@H+](C)Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC001116145749 1370846764 /nfs/dbraw/zinc/84/67/64/1370846764.db2.gz LNEISYAVBXTUHS-DZGCQCFKSA-N 1 0 347.444 3.027 20 5 EGBDRO Cc1nn(C[N@@H+]2CC[C@H]3CCCC[C@@H]3C2)c2ncc([N+](=O)[O-])cc12 ZINC001116207977 1370859175 /nfs/dbraw/zinc/85/91/75/1370859175.db2.gz HDWMBXHNYUZWGT-ZIAGYGMSSA-N 1 0 329.404 3.118 20 5 EGBDRO C[C@H](c1nnc(CC[NH+]2CCC(C)CC2)o1)c1cccc([N+](=O)[O-])c1 ZINC001118371513 1371168386 /nfs/dbraw/zinc/16/83/86/1371168386.db2.gz SDIZLZOHGSTWBX-AWEZNQCLSA-N 1 0 344.415 3.404 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCc2c(F)cccc2Cl)cc1 ZINC001326157432 1388120649 /nfs/dbraw/zinc/12/06/49/1388120649.db2.gz YDSIERHKCDGVGI-INIZCTEOSA-N 1 0 338.766 3.253 20 5 EGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1CN1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001119295189 1371300305 /nfs/dbraw/zinc/30/03/05/1371300305.db2.gz FKRBALCFCQUJPD-CQSZACIVSA-N 1 0 343.349 3.284 20 5 EGBDRO O=[N+]([O-])c1cc([N+](=O)[O-])c(O[C@@H]2CCC[NH2+]C[C@H]2F)c2ccccc21 ZINC001217953662 1373518313 /nfs/dbraw/zinc/51/83/13/1373518313.db2.gz YXTZWOPUKPNOQW-IUODEOHRSA-N 1 0 349.318 3.125 20 5 EGBDRO O=[N+]([O-])c1cc([N+](=O)[O-])c(O[C@H]2C[NH2+]CCC[C@@H]2F)c2ccccc21 ZINC001217982017 1373524734 /nfs/dbraw/zinc/52/47/34/1373524734.db2.gz SRCAXGZVWVLLMH-WFASDCNBSA-N 1 0 349.318 3.125 20 5 EGBDRO Cc1cc(O[C@H]2CCC[NH2+]CC2)c([N+](=O)[O-])cc1Br ZINC001217994656 1373529645 /nfs/dbraw/zinc/52/96/45/1373529645.db2.gz JSZRLYQNYUJCEX-JTQLQIEISA-N 1 0 329.194 3.187 20 5 EGBDRO C[C@@H](Oc1ccc(Br)cc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC001218002014 1373531602 /nfs/dbraw/zinc/53/16/02/1373531602.db2.gz KKXQAXNUMRXEFU-SECBINFHSA-N 1 0 329.194 3.124 20 5 EGBDRO C[C@@H]1CC[NH2+]CC[C@H]1Oc1cc(F)c(Br)cc1[N+](=O)[O-] ZINC001218026552 1373541327 /nfs/dbraw/zinc/54/13/27/1373541327.db2.gz IWBGTNBWPBLZRV-PRHODGIISA-N 1 0 347.184 3.263 20 5 EGBDRO C[C@H]1CC[NH2+]CC[C@H]1Oc1c(Br)cccc1[N+](=O)[O-] ZINC001218028155 1373542136 /nfs/dbraw/zinc/54/21/36/1373542136.db2.gz SUBQQZBYSXSZEX-JOYOIKCWSA-N 1 0 329.194 3.124 20 5 EGBDRO Cc1cc(Br)cc([N+](=O)[O-])c1O[C@@H]1CC[NH2+]CC[C@H]1C ZINC001218031663 1373543200 /nfs/dbraw/zinc/54/32/00/1373543200.db2.gz RENNSAVZFCVGDS-NOZJJQNGSA-N 1 0 343.221 3.433 20 5 EGBDRO C[C@H]1C[C@@H](Oc2cc([N+](=O)[O-])cc(F)c2Br)CC[NH2+]1 ZINC001218053139 1373548102 /nfs/dbraw/zinc/54/81/02/1373548102.db2.gz OIMREMDIQPEQQM-CBAPKCEASA-N 1 0 333.157 3.016 20 5 EGBDRO C[C@H]1C[C@@H](Oc2ccc(C(=O)OC(C)(C)C)cc2[N+](=O)[O-])CC[NH2+]1 ZINC001218054472 1373548834 /nfs/dbraw/zinc/54/88/34/1373548834.db2.gz ZUBYZQLXUGJDDT-AAEUAGOBSA-N 1 0 336.388 3.069 20 5 EGBDRO Oc1cccc2cc3cccc(O)c3c(O[C@H]3CC[NH2+]C[C@@H]3F)c12 ZINC001218070115 1373553876 /nfs/dbraw/zinc/55/38/76/1373553876.db2.gz LOKYRDNWEVIQGF-BBRMVZONSA-N 1 0 327.355 3.483 20 5 EGBDRO O=[N+]([O-])c1cc(-c2ccccc2)ccc1OC[C@@H]1CCC2(C[NH2+]C2)O1 ZINC001218070026 1373554135 /nfs/dbraw/zinc/55/41/35/1373554135.db2.gz MMBPOMHCHUXOBK-INIZCTEOSA-N 1 0 340.379 3.162 20 5 EGBDRO Cc1cc(Br)cc([N+](=O)[O-])c1O[C@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001218136380 1373567259 /nfs/dbraw/zinc/56/72/59/1373567259.db2.gz QZRYBXOXMVDTOS-PEGIJTEDSA-N 1 0 341.205 3.043 20 5 EGBDRO Cc1cc(Br)cc([N+](=O)[O-])c1O[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001218185615 1373574441 /nfs/dbraw/zinc/57/44/41/1373574441.db2.gz GQJITCXLTHTFLN-GDNZZTSVSA-N 1 0 341.205 3.328 20 5 EGBDRO CC(C)(C)c1cc([N+](=O)[O-])c(O[C@@H]2CCC3(C[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC001218236818 1373581146 /nfs/dbraw/zinc/58/11/46/1373581146.db2.gz CULQXWDUXWIWPW-GFCCVEGCSA-N 1 0 349.387 3.321 20 5 EGBDRO Cc1cc(Br)c(O[C@@H]2C[C@H]3CC[NH2+][C@@H]3C2)cc1[N+](=O)[O-] ZINC001218248131 1373583298 /nfs/dbraw/zinc/58/32/98/1373583298.db2.gz DJNZNCVHYWTSKP-CKYFFXLPSA-N 1 0 341.205 3.185 20 5 EGBDRO CCc1c(Cl)cc([N+](=O)[O-])c(OC[C@@H]2C[NH2+]CCCO2)c1Cl ZINC001218299561 1373590522 /nfs/dbraw/zinc/59/05/22/1373590522.db2.gz JBLKXWKGHHRRAM-VIFPVBQESA-N 1 0 349.214 3.221 20 5 EGBDRO O=[N+]([O-])c1ccc(O[C@@H]2CC[NH2+]C3(CCC3)C2)c(Br)c1 ZINC001218308560 1373592099 /nfs/dbraw/zinc/59/20/99/1373592099.db2.gz XZXJKJDSCVVQSW-LLVKDONJSA-N 1 0 341.205 3.411 20 5 EGBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Oc1ccc(N)c([N+](=O)[O-])c1 ZINC001218334421 1373598921 /nfs/dbraw/zinc/59/89/21/1373598921.db2.gz ABZAFEZYILAXLF-KUHUBIRLSA-N 1 0 341.411 3.466 20 5 EGBDRO O=c1c2ccc(O)cc2oc2cc(O[C@H]3C[NH2+]CCC34CC4)ccc12 ZINC001218404299 1373607752 /nfs/dbraw/zinc/60/77/52/1373607752.db2.gz MVRQFSYPOHGUBO-SFHVURJKSA-N 1 0 337.375 3.173 20 5 EGBDRO O=[N+]([O-])c1cc(F)c(Br)c(O[C@@H]2C[NH2+]CCC23CC3)c1 ZINC001218406753 1373609023 /nfs/dbraw/zinc/60/90/23/1373609023.db2.gz YPQCHCMJVDEYKF-LLVKDONJSA-N 1 0 345.168 3.017 20 5 EGBDRO Cc1cc(Br)c(O[C@@H]2CC[C@H]3C[NH2+]C[C@@H]32)cc1[N+](=O)[O-] ZINC001218464677 1373618853 /nfs/dbraw/zinc/61/88/53/1373618853.db2.gz HSWSKNRPXCDGCR-OUJBWJOFSA-N 1 0 341.205 3.043 20 5 EGBDRO C[C@@H]1CC[NH2+]C[C@@H]1Oc1c2ccccc2c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001218483334 1373623870 /nfs/dbraw/zinc/62/38/70/1373623870.db2.gz VULLVGVOFDFJSI-BMIGLBTASA-N 1 0 331.328 3.033 20 5 EGBDRO CCCCC(=O)NCC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001222399043 1373837475 /nfs/dbraw/zinc/83/74/75/1373837475.db2.gz NCZCGGWYTNNIMZ-UHFFFAOYSA-N 1 0 333.432 3.113 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1C[C@H](C)O[C@H](CC[NH+](C)C)c1ccccc1 ZINC001224134236 1375054928 /nfs/dbraw/zinc/05/49/28/1375054928.db2.gz POEDJOGHNCWHPI-WMLDXEAASA-N 1 0 346.431 3.198 20 5 EGBDRO O=[N+]([O-])c1ccc(Cl)cc1O[C@H]1CC[C@@H]([NH+]2CCOCC2)CC1 ZINC001225714048 1375149295 /nfs/dbraw/zinc/14/92/95/1375149295.db2.gz YOHOELNUEDMRLG-OKILXGFUSA-N 1 0 340.807 3.270 20 5 EGBDRO O=[N+]([O-])c1cc(F)ccc1O[C@H]1CCN2Cc3ccccc3N=C12 ZINC001225906799 1375173161 /nfs/dbraw/zinc/17/31/61/1375173161.db2.gz FOOUFDQSXCFLMG-INIZCTEOSA-N 1 0 327.315 3.431 20 5 EGBDRO CC(C)(C)CC(=O)NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001226077524 1375199297 /nfs/dbraw/zinc/19/92/97/1375199297.db2.gz XKKDBBHPOYRQGI-UHFFFAOYSA-N 1 0 333.432 3.112 20 5 EGBDRO COCC[NH+]1CCC(Oc2ccc(C(C)(C)C)cc2[N+](=O)[O-])CC1 ZINC001226445654 1375260276 /nfs/dbraw/zinc/26/02/76/1375260276.db2.gz FJLXITTZOLAUFB-UHFFFAOYSA-N 1 0 336.432 3.382 20 5 EGBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Oc1ccc([N+](=O)[O-])nc1 ZINC001226712538 1375315037 /nfs/dbraw/zinc/31/50/37/1375315037.db2.gz OMROIDDQUIELBY-YOEHRIQHSA-N 1 0 327.384 3.279 20 5 EGBDRO O=[N+]([O-])c1ccc(O[C@@H]2CCC[N@H+](Cc3ccccc3F)C2)cn1 ZINC001226712409 1375315232 /nfs/dbraw/zinc/31/52/32/1375315232.db2.gz MGKPYXUFWPVBMH-OAHLLOKOSA-N 1 0 331.347 3.172 20 5 EGBDRO COCCC[NH+]1CCC(Oc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC001228000211 1375501025 /nfs/dbraw/zinc/50/10/25/1375501025.db2.gz JTHCAKVLCHXBRW-UHFFFAOYSA-N 1 0 328.796 3.128 20 5 EGBDRO CC(C)[N@@H+]1CCC[C@H](Oc2cc(Br)cnc2[N+](=O)[O-])C1 ZINC001229559817 1375854687 /nfs/dbraw/zinc/85/46/87/1375854687.db2.gz JTMPRUWDONWSMY-NSHDSACASA-N 1 0 344.209 3.004 20 5 EGBDRO CC(C)CCCCCC(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001134789103 1376721799 /nfs/dbraw/zinc/72/17/99/1376721799.db2.gz SICSCRGPBFKDHF-UHFFFAOYSA-N 1 0 335.448 3.407 20 5 EGBDRO COC(=O)CN1CC[NH+](Cc2c3ccccc3cc3ccccc32)CC1 ZINC001141727964 1378366442 /nfs/dbraw/zinc/36/64/42/1378366442.db2.gz JKAGRQNAXDLJDE-UHFFFAOYSA-N 1 0 348.446 3.284 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001327536724 1388554778 /nfs/dbraw/zinc/55/47/78/1388554778.db2.gz AJXUDNVFHOAANH-HOCLYGCPSA-N 1 0 334.420 3.152 20 5 EGBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1ccc(C2CC2)cc1 ZINC001151899254 1379813087 /nfs/dbraw/zinc/81/30/87/1379813087.db2.gz JSVBOXLUEDLRAW-UHFFFAOYSA-N 1 0 345.424 3.053 20 5 EGBDRO CC(C)c1ccc(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])s1 ZINC001152777257 1379980667 /nfs/dbraw/zinc/98/06/67/1379980667.db2.gz JJPLPHJHXQTZEK-UHFFFAOYSA-N 1 0 347.440 3.299 20 5 EGBDRO O=[N+]([O-])c1cccc2ccc(NCc3ccc4c(c3)CC[NH2+]C4)nc21 ZINC001155268148 1380431109 /nfs/dbraw/zinc/43/11/09/1380431109.db2.gz UVHYPLFFLGEFFQ-UHFFFAOYSA-N 1 0 334.379 3.401 20 5 EGBDRO [NH3+][C@H]1Cc2ccccc2N(c2nc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC001155298564 1380434729 /nfs/dbraw/zinc/43/47/29/1380434729.db2.gz GLWJQOIRZINJKD-VIFPVBQESA-N 1 0 339.182 3.318 20 5 EGBDRO C[NH+](C)CCCCCNC(=O)c1ccnc2c1ccc1cccnc12 ZINC001155816292 1380494309 /nfs/dbraw/zinc/49/43/09/1380494309.db2.gz WATBATCTYJKANF-UHFFFAOYSA-N 1 0 336.439 3.245 20 5 EGBDRO Cc1c(C)n(-c2nc(Cl)ncc2[N+](=O)[O-])c2ccc(C[NH3+])cc12 ZINC001155903345 1380504079 /nfs/dbraw/zinc/50/40/79/1380504079.db2.gz SKRRCNZLGITTRD-UHFFFAOYSA-N 1 0 331.763 3.058 20 5 EGBDRO C[C@@H](C[NH+](C)C)Nc1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)nn1 ZINC001155923946 1380505679 /nfs/dbraw/zinc/50/56/79/1380505679.db2.gz OZJWHNXGSLBNJC-JTQLQIEISA-N 1 0 335.795 3.067 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)nc(NCc2cccnc2C2CC[NH2+]CC2)c1 ZINC001155995001 1380511424 /nfs/dbraw/zinc/51/14/24/1380511424.db2.gz PRLCLAWPIIYEPK-UHFFFAOYSA-N 1 0 347.806 3.117 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(NCc2cccnc2C2CC[NH2+]CC2)n1 ZINC001155999483 1380511939 /nfs/dbraw/zinc/51/19/39/1380511939.db2.gz DZPHCMDSVXUACR-UHFFFAOYSA-N 1 0 341.415 3.081 20 5 EGBDRO C[NH+](C)Cc1cccc(CNc2ccc3[nH]cc([N+](=O)[O-])c3n2)c1 ZINC001156048486 1380517928 /nfs/dbraw/zinc/51/79/28/1380517928.db2.gz SMRQUYBPHWPYQC-UHFFFAOYSA-N 1 0 325.372 3.145 20 5 EGBDRO O=[N+]([O-])c1cccc(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)n1 ZINC001156316786 1380557604 /nfs/dbraw/zinc/55/76/04/1380557604.db2.gz ZCBDZHCNVVCULJ-BRWVUGGUSA-N 1 0 338.411 3.312 20 5 EGBDRO O=[N+]([O-])c1cnc(Cl)cc1-n1cncc1C[NH2+]Cc1ccccc1 ZINC001156482477 1380581941 /nfs/dbraw/zinc/58/19/41/1380581941.db2.gz NHKHNRUFIPVFRH-UHFFFAOYSA-N 1 0 343.774 3.119 20 5 EGBDRO [NH3+]Cc1nn(-c2nc(Cl)cc(Cl)c2[N+](=O)[O-])c2ccccc12 ZINC001156855323 1380697112 /nfs/dbraw/zinc/69/71/12/1380697112.db2.gz CWZRBATZRGFOFS-UHFFFAOYSA-N 1 0 338.154 3.094 20 5 EGBDRO [NH3+]Cc1nn(-c2nc(Cl)c(Cl)cc2[N+](=O)[O-])c2ccccc12 ZINC001156856108 1380697195 /nfs/dbraw/zinc/69/71/95/1380697195.db2.gz WXUWNVKVXHBROK-UHFFFAOYSA-N 1 0 338.154 3.094 20 5 EGBDRO C[C@@H]1CCCC[N@@H+]1CCCNc1ncnc2cc([N+](=O)[O-])ccc21 ZINC001156928870 1380731759 /nfs/dbraw/zinc/73/17/59/1380731759.db2.gz PNXYQWCFOWOBSD-CYBMUJFWSA-N 1 0 329.404 3.214 20 5 EGBDRO O=[N+]([O-])c1cccc2nc(N3CCCC[C@]34CCC[NH2+]C4)ccc21 ZINC001157471159 1380923767 /nfs/dbraw/zinc/92/37/67/1380923767.db2.gz DQICXUGSUYGNKG-GOSISDBHSA-N 1 0 326.400 3.256 20 5 EGBDRO CC(C)(C)CN(c1ncnc2ccc([N+](=O)[O-])cc21)C1CC[NH2+]CC1 ZINC001157883752 1381059390 /nfs/dbraw/zinc/05/93/90/1381059390.db2.gz CORRASXCKHQREE-UHFFFAOYSA-N 1 0 343.431 3.143 20 5 EGBDRO CC1(C)C[C@H](Nc2cnc3ccc([N+](=O)[O-])cc3n2)C[C@](C)(C[NH3+])C1 ZINC001158269575 1381179106 /nfs/dbraw/zinc/17/91/06/1381179106.db2.gz SKMNQKGOELWJAH-SGTLLEGYSA-N 1 0 343.431 3.494 20 5 EGBDRO Cc1c(C)c(N(c2ccncc2F)C2CC[NH2+]CC2)ncc1[N+](=O)[O-] ZINC001158340331 1381207842 /nfs/dbraw/zinc/20/78/42/1381207842.db2.gz SHUVKYQYRITTDM-UHFFFAOYSA-N 1 0 345.378 3.031 20 5 EGBDRO O=[N+]([O-])c1ccc(Nc2cccnc2O[C@@H]2CC[NH2+]C2)c(Cl)c1 ZINC001159350326 1381773145 /nfs/dbraw/zinc/77/31/45/1381773145.db2.gz GPUFRHXBXZJDAV-LLVKDONJSA-N 1 0 334.763 3.128 20 5 EGBDRO Cc1ccc(Nc2cc(F)ccc2N2CC[C@@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC001160055552 1381984571 /nfs/dbraw/zinc/98/45/71/1381984571.db2.gz BKXDMUKKPIMFGT-CYBMUJFWSA-N 1 0 330.363 3.323 20 5 EGBDRO Nc1cccc(F)c1N(CC1CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC001160123471 1382004048 /nfs/dbraw/zinc/00/40/48/1382004048.db2.gz AQZQJUQXFCHQHQ-UHFFFAOYSA-N 1 0 344.390 3.454 20 5 EGBDRO Cc1cc(Cl)nc(-n2c(CC[NH3+])cc3ccccc32)c1[N+](=O)[O-] ZINC001160123614 1382004403 /nfs/dbraw/zinc/00/44/03/1382004403.db2.gz BIMKURYGQGFLDU-UHFFFAOYSA-N 1 0 330.775 3.397 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1Nc1c(F)cccc1O[C@@H]1CC[NH2+]C1 ZINC001160129169 1382006766 /nfs/dbraw/zinc/00/67/66/1382006766.db2.gz DRFBXPHHMCQCEO-GFCCVEGCSA-N 1 0 347.346 3.227 20 5 EGBDRO [NH3+]C[C@@H]1COc2ccccc2N1c1ccc2c(cccc2[N+](=O)[O-])n1 ZINC001160201105 1382031564 /nfs/dbraw/zinc/03/15/64/1382031564.db2.gz UWDYNVBIAMFXBU-GFCCVEGCSA-N 1 0 336.351 3.001 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(N(Cc2ccccc2)C[C@@H](C)C[NH3+])n1 ZINC001160661752 1382163974 /nfs/dbraw/zinc/16/39/74/1382163974.db2.gz JTWULGCZPAXNPT-ZDUSSCGKSA-N 1 0 328.416 3.208 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(N(Cc2ccccc2)C[C@H](C)C[NH3+])n1 ZINC001160661751 1382164038 /nfs/dbraw/zinc/16/40/38/1382164038.db2.gz JTWULGCZPAXNPT-CYBMUJFWSA-N 1 0 328.416 3.208 20 5 EGBDRO O=[N+]([O-])c1cnc(N[C@@H]2CC[NH2+]C[C@@H]2C(F)(F)F)c2ccccc21 ZINC001160737793 1382182016 /nfs/dbraw/zinc/18/20/16/1382182016.db2.gz QQDWLXSTWKUVLH-NWDGAFQWSA-N 1 0 340.305 3.095 20 5 EGBDRO CN(Cc1c2ccccc2cc2ccccc21)C(=O)C1(N)CC[NH2+]CC1 ZINC001160737525 1382182050 /nfs/dbraw/zinc/18/20/50/1382182050.db2.gz GOOFYRHTJDMZLT-UHFFFAOYSA-N 1 0 347.462 3.032 20 5 EGBDRO Cc1cc(NCCCC[NH+](C)C)c([N+](=O)[O-])cc1Br ZINC001161737166 1382492225 /nfs/dbraw/zinc/49/22/25/1382492225.db2.gz YSGJSWNRBMRKLI-UHFFFAOYSA-N 1 0 330.226 3.419 20 5 EGBDRO COC(=O)c1cc([N+](=O)[O-])cnc1NCC[PH+](C(C)C)C(C)C ZINC001162358404 1382740121 /nfs/dbraw/zinc/74/01/21/1382740121.db2.gz PBRAJVKNVCEMQI-UHFFFAOYSA-N 1 0 341.348 3.487 20 5 EGBDRO COC(=O)c1ccnc(NCC[PH+](C(C)C)C(C)C)c1[N+](=O)[O-] ZINC001162362006 1382740426 /nfs/dbraw/zinc/74/04/26/1382740426.db2.gz POZZJEHGRFCZRK-UHFFFAOYSA-N 1 0 341.348 3.487 20 5 EGBDRO Cc1nc(-n2cc(CC[NH3+])c3c2cccc3Cl)ccc1[N+](=O)[O-] ZINC001162654351 1382822348 /nfs/dbraw/zinc/82/23/48/1382822348.db2.gz XGXAVDTXPOWIID-UHFFFAOYSA-N 1 0 330.775 3.397 20 5 EGBDRO COc1nc(C)c(-n2ccc3cc([C@@H](C)[NH3+])ccc32)cc1[N+](=O)[O-] ZINC001162907901 1382912378 /nfs/dbraw/zinc/91/23/78/1382912378.db2.gz HVTRPVINJJJQPI-SNVBAGLBSA-N 1 0 326.356 3.270 20 5 EGBDRO O=[N+]([O-])c1c(N[C@H]2C[NH2+]Cc3ccsc32)ccc2ncccc21 ZINC001163228591 1382999583 /nfs/dbraw/zinc/99/95/83/1382999583.db2.gz LDQFMHNTGUUCPP-AWEZNQCLSA-N 1 0 326.381 3.461 20 5 EGBDRO COc1cccc([C@@H](C[NH3+])Nc2nc(C)cc(Cl)c2[N+](=O)[O-])c1 ZINC001163306938 1383017086 /nfs/dbraw/zinc/01/70/86/1383017086.db2.gz UHBSUDXVJNADFO-CYBMUJFWSA-N 1 0 336.779 3.072 20 5 EGBDRO CCOc1cccc(CCNc2cc3c(cc2[N+](=O)[O-])C[NH2+]C3)c1 ZINC001163714364 1383112479 /nfs/dbraw/zinc/11/24/79/1383112479.db2.gz QBIDJWZUKQWDEK-UHFFFAOYSA-N 1 0 327.384 3.251 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1NCc1cccnc1C1CC[NH2+]CC1 ZINC001163907971 1383134985 /nfs/dbraw/zinc/13/49/85/1383134985.db2.gz CQSRSSVHBALDAQ-UHFFFAOYSA-N 1 0 326.400 3.377 20 5 EGBDRO C[C@H]1CC[C@H](C[NH3+])N(c2ccc3c(ccc(Cl)c3[N+](=O)[O-])n2)C1 ZINC001164073620 1383153044 /nfs/dbraw/zinc/15/30/44/1383153044.db2.gz NFJCESRPJPXEON-WDEREUQCSA-N 1 0 334.807 3.360 20 5 EGBDRO C[C@@H]1CC[C@@H](C[NH3+])N(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)C1 ZINC001164077876 1383153712 /nfs/dbraw/zinc/15/37/12/1383153712.db2.gz KXYZJJTVQAWEKP-DOMZBBRYSA-N 1 0 344.390 3.360 20 5 EGBDRO [NH3+]CC1(c2ccccc2)CCN(c2cc([N+](=O)[O-])cc(Cl)n2)CC1 ZINC001164435956 1383186435 /nfs/dbraw/zinc/18/64/35/1383186435.db2.gz ROPDKQVZGBOJBM-UHFFFAOYSA-N 1 0 346.818 3.140 20 5 EGBDRO C[NH+](C)C[C@H]1CCCN1c1ccc2c(ccc(Cl)c2[N+](=O)[O-])n1 ZINC001165078581 1383223504 /nfs/dbraw/zinc/22/35/04/1383223504.db2.gz ZRLXBRRSVYFZJV-LLVKDONJSA-N 1 0 334.807 3.327 20 5 EGBDRO C[N@@H+]1CCC[C@@H](CCNc2nc3cc([N+](=O)[O-])ccc3nc2Cl)C1 ZINC001165260838 1383260876 /nfs/dbraw/zinc/26/08/76/1383260876.db2.gz JPXIMEYGLZDRBI-NSHDSACASA-N 1 0 349.822 3.335 20 5 EGBDRO CCOC(=O)c1cc(NCC2CC[NH+](C(C)C)CC2)ccc1[N+](=O)[O-] ZINC001166635805 1383451240 /nfs/dbraw/zinc/45/12/40/1383451240.db2.gz HMMNBJBCHSOWNA-UHFFFAOYSA-N 1 0 349.431 3.304 20 5 EGBDRO O=[N+]([O-])c1cnc(-n2c([C@H]3CCC[NH2+]3)cc3ccccc32)c(F)c1 ZINC001166652010 1383453470 /nfs/dbraw/zinc/45/34/70/1383453470.db2.gz LIDFMUWAZFKBAU-CQSZACIVSA-N 1 0 326.331 3.497 20 5 EGBDRO C[NH2+]Cc1cn(-c2nc(Cl)ncc2[N+](=O)[O-])c2ccc(C)cc12 ZINC001167121121 1383544763 /nfs/dbraw/zinc/54/47/63/1383544763.db2.gz HJUNWNMDYMQGBL-UHFFFAOYSA-N 1 0 331.763 3.010 20 5 EGBDRO CC(=O)Nc1ccc(NCCC[N@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC001167752035 1383730925 /nfs/dbraw/zinc/73/09/25/1383730925.db2.gz BNYYAXBLMAZPIT-CYBMUJFWSA-N 1 0 334.420 3.230 20 5 EGBDRO COc1cc(C)c([N+](=O)[O-])cc1N1C[C@H](CC[NH3+])c2ccccc21 ZINC001168550897 1383935265 /nfs/dbraw/zinc/93/52/65/1383935265.db2.gz XFYSDDNLMHBMRY-ZDUSSCGKSA-N 1 0 327.384 3.496 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2ccc(Br)cc2F)C1 ZINC001168955773 1384070998 /nfs/dbraw/zinc/07/09/98/1384070998.db2.gz CCWWVRAKSWLWGV-SKDRFNHKSA-N 1 0 331.185 3.123 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CCc2ccccc2Br)C1 ZINC001168960784 1384072071 /nfs/dbraw/zinc/07/20/71/1384072071.db2.gz HBRHTASATPBIHF-WCQYABFASA-N 1 0 327.222 3.027 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C2(c3cccc(Br)c3)CC2)C1 ZINC001168980711 1384077806 /nfs/dbraw/zinc/07/78/06/1384077806.db2.gz FXDRTVQCJAEQLB-RISCZKNCSA-N 1 0 339.233 3.473 20 5 EGBDRO C[C@H](Cc1ccccc1Br)[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168985002 1384079143 /nfs/dbraw/zinc/07/91/43/1384079143.db2.gz BYAYTJUTGSGTGL-MBNYWOFBSA-N 1 0 341.249 3.415 20 5 EGBDRO Cc1ccc(CN2CCC([NH2+][C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)c(F)c1 ZINC001168990366 1384079840 /nfs/dbraw/zinc/07/98/40/1384079840.db2.gz CAVFXTPSPYOYCT-MAUKXSAKSA-N 1 0 349.450 3.134 20 5 EGBDRO O=C(C[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccc(F)c(C(F)(F)F)c1 ZINC001168988895 1384080096 /nfs/dbraw/zinc/08/00/96/1384080096.db2.gz UVAIQKDVSCDPEB-KOLCDFICSA-N 1 0 348.296 3.062 20 5 EGBDRO COc1ccc(CC2(C[NH2+][C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CCC2)cc1 ZINC001168997728 1384083032 /nfs/dbraw/zinc/08/30/32/1384083032.db2.gz FFSGDDKXDSCTOO-IAGOWNOFSA-N 1 0 332.444 3.443 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2csc(-c3ccc(F)cc3)n2)C1 ZINC001169001226 1384083758 /nfs/dbraw/zinc/08/37/58/1384083758.db2.gz DSDNBUVTQZAMTD-BXUZGUMPSA-N 1 0 335.404 3.484 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCC(c3nc4ccccc4o3)CC2)C1 ZINC001169007620 1384087587 /nfs/dbraw/zinc/08/75/87/1384087587.db2.gz ORHLQMSHBYQZGE-HIFRSBDPSA-N 1 0 329.400 3.453 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2Cc3cccc(Br)c3C2)C1 ZINC001169036314 1384096065 /nfs/dbraw/zinc/09/60/65/1384096065.db2.gz NIAGSOPIUZQYLU-ZYHUDNBSSA-N 1 0 325.206 3.210 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@H+](CCO)Cc2ccc(Cl)c(Cl)c2)C1 ZINC001169036561 1384096503 /nfs/dbraw/zinc/09/65/03/1384096503.db2.gz GPALJLVSJBREQJ-WCQYABFASA-N 1 0 347.242 3.233 20 5 EGBDRO CCOC(=O)C1([N@H+](Cc2ccccc2)[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169050590 1384100654 /nfs/dbraw/zinc/10/06/54/1384100654.db2.gz BRKHDTNRTHPCLS-IAGOWNOFSA-N 1 0 346.427 3.030 20 5 EGBDRO [NH3+]Cc1cccc2c1cnn2-c1nc(-c2ccccc2)ccc1[N+](=O)[O-] ZINC001169190955 1384121401 /nfs/dbraw/zinc/12/14/01/1384121401.db2.gz BFEJJQJYBNPKPT-UHFFFAOYSA-N 1 0 345.362 3.454 20 5 EGBDRO Cc1cc(Cl)c(N2CCCc3ccc(C[NH3+])nc32)c([N+](=O)[O-])c1 ZINC001169591100 1384162929 /nfs/dbraw/zinc/16/29/29/1384162929.db2.gz BUKFWDZRGYKEMU-UHFFFAOYSA-N 1 0 332.791 3.495 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+]C2(c3ccccn3)CC2)c([N+](=O)[O-])c1 ZINC001170307815 1384287021 /nfs/dbraw/zinc/28/70/21/1384287021.db2.gz IGGCXDVSELEOGR-CYBMUJFWSA-N 1 0 327.384 3.208 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2nc(C)ccc2F)c([N+](=O)[O-])c1 ZINC001170306422 1384287188 /nfs/dbraw/zinc/28/71/88/1384287188.db2.gz UVIJMWHMPRFWBM-GFCCVEGCSA-N 1 0 333.363 3.167 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+]C(C)(C)c2ccccn2)c([N+](=O)[O-])c1 ZINC001170312622 1384288412 /nfs/dbraw/zinc/28/84/12/1384288412.db2.gz GFZWHNXIHOCQNF-CYBMUJFWSA-N 1 0 329.400 3.454 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+]C2(CC3CC3)CCOCC2)c([N+](=O)[O-])c1 ZINC001170325397 1384291336 /nfs/dbraw/zinc/29/13/36/1384291336.db2.gz UNKYIGMLVWYJTN-AWEZNQCLSA-N 1 0 348.443 3.473 20 5 EGBDRO CCC1(C[NH2+][C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CCOCC1 ZINC001170327923 1384291984 /nfs/dbraw/zinc/29/19/84/1384291984.db2.gz SNZWLGBVLDGCRU-AWEZNQCLSA-N 1 0 336.432 3.331 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH+]2CCC3(CCOC3)CC2)c([N+](=O)[O-])c1 ZINC001170330079 1384293043 /nfs/dbraw/zinc/29/30/43/1384293043.db2.gz YENOLXNBGYYGTR-CQSZACIVSA-N 1 0 334.416 3.037 20 5 EGBDRO COC[C@@]12CCC[C@@H]1C[N@@H+]([C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])C2 ZINC001170341856 1384295162 /nfs/dbraw/zinc/29/51/62/1384295162.db2.gz SUCRKPAVTQGELM-GMBSWORKSA-N 1 0 348.443 3.283 20 5 EGBDRO COc1ccc(C[C@@H](C)[N@@H+]2CCC3(C2)CCOCC3)c([N+](=O)[O-])c1 ZINC001170344578 1384295518 /nfs/dbraw/zinc/29/55/18/1384295518.db2.gz CHLMSLIVQXKOEA-CQSZACIVSA-N 1 0 334.416 3.037 20 5 EGBDRO COc1ccc(C[C@H](C)[NH+]2CCC3(CCCO3)CC2)c([N+](=O)[O-])c1 ZINC001170345265 1384296161 /nfs/dbraw/zinc/29/61/61/1384296161.db2.gz JIOCUELBYLPRQK-AWEZNQCLSA-N 1 0 334.416 3.179 20 5 EGBDRO COc1ccc(C[C@@H](C)[N@@H+]2CCOc3ccccc3C2)c([N+](=O)[O-])c1 ZINC001170347585 1384296968 /nfs/dbraw/zinc/29/69/68/1384296968.db2.gz SBJSASHEZFKGTK-CQSZACIVSA-N 1 0 342.395 3.429 20 5 EGBDRO C[C@@H](Nc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1)[C@H]1C[NH2+]CCO1 ZINC001170569058 1384344101 /nfs/dbraw/zinc/34/41/01/1384344101.db2.gz HWALHFRLLYSQJH-FZKQIMNGSA-N 1 0 327.384 3.051 20 5 EGBDRO C[C@H]([NH3+])c1ncc(-c2ccccc2)n1-c1cnc(F)c([N+](=O)[O-])c1 ZINC001170685671 1384365818 /nfs/dbraw/zinc/36/58/18/1384365818.db2.gz DCMZJUZMXWXWGR-JTQLQIEISA-N 1 0 327.319 3.001 20 5 EGBDRO CC[N+](C)(C)Cc1ccccc1NC1(CO)Cc2ccccc2C1 ZINC001171205907 1384468587 /nfs/dbraw/zinc/46/85/87/1384468587.db2.gz ILRVUTMQLRBULT-UHFFFAOYSA-N 1 0 325.476 3.225 20 5 EGBDRO Cc1cc(C)c(N2c3ccccc3OC[C@H]2C[NH3+])c(C)c1[N+](=O)[O-] ZINC001171400611 1384513301 /nfs/dbraw/zinc/51/33/01/1384513301.db2.gz MWQMGSKSQGVLMF-CQSZACIVSA-N 1 0 327.384 3.378 20 5 EGBDRO Cc1ccc(C)c(C(=O)NCCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001171940950 1384689894 /nfs/dbraw/zinc/68/98/94/1384689894.db2.gz NGWKLSMXFDTKLF-UHFFFAOYSA-N 1 0 341.411 3.121 20 5 EGBDRO COC(=O)C1(N[C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCCCC1 ZINC001172899009 1384873990 /nfs/dbraw/zinc/87/39/90/1384873990.db2.gz KKYNYTRGPFHWKL-INIZCTEOSA-N 1 0 346.427 3.308 20 5 EGBDRO COc1ccc(N[C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)cc1C[NH3+] ZINC001172899885 1384874254 /nfs/dbraw/zinc/87/42/54/1384874254.db2.gz AHIZKMZQZLCBCK-INIZCTEOSA-N 1 0 341.411 3.422 20 5 EGBDRO Cc1ccc([C@@H](CO)[NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)cc1 ZINC001172907150 1384875402 /nfs/dbraw/zinc/87/54/02/1384875402.db2.gz PWRRXVRDXRTJSE-UYAOXDASSA-N 1 0 340.423 3.474 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH+]1CC3(C1)C[C@@H](F)CS3)CC2 ZINC001172919575 1384879292 /nfs/dbraw/zinc/87/92/92/1384879292.db2.gz GPQXUEFWXPCDCO-HUUCEWRRSA-N 1 0 336.432 3.372 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]Cc2c(C)noc2C)c1F ZINC001173175168 1384931736 /nfs/dbraw/zinc/93/17/36/1384931736.db2.gz AOHIHGYXKAASKU-VIFPVBQESA-N 1 0 337.351 3.068 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CC2CCSCC2)c1F ZINC001173179582 1384932519 /nfs/dbraw/zinc/93/25/19/1384932519.db2.gz MRZXRGXVWCGKCA-NSHDSACASA-N 1 0 342.436 3.406 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C2CCSCC2)c1F ZINC001173179893 1384932600 /nfs/dbraw/zinc/93/26/00/1384932600.db2.gz RQBJUQRAQHGMQO-JTQLQIEISA-N 1 0 328.409 3.159 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2CC[C@H](OC(C)C)C2)c1F ZINC001173194747 1384934274 /nfs/dbraw/zinc/93/42/74/1384934274.db2.gz AADTZDFUUCAXCE-OLZOCXBDSA-N 1 0 340.395 3.173 20 5 EGBDRO COc1cccc(C(C)(C)C[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)n1 ZINC001173224500 1384938988 /nfs/dbraw/zinc/93/89/88/1384938988.db2.gz NNLMZGBTQIESNN-CQSZACIVSA-N 1 0 343.427 3.497 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](O)[C@@H]1Cc1ccccc1 ZINC001173225696 1384939915 /nfs/dbraw/zinc/93/99/15/1384939915.db2.gz NUMKAIQNXAJTQO-UIAACRFSSA-N 1 0 340.423 3.204 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC[C@H]1COc2ccccc2O1 ZINC001173227479 1384940153 /nfs/dbraw/zinc/94/01/53/1384940153.db2.gz FZDUOKMOZROZRI-YOEHRIQHSA-N 1 0 342.395 3.346 20 5 EGBDRO COc1ccccc1C(=O)C[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173231629 1384940579 /nfs/dbraw/zinc/94/05/79/1384940579.db2.gz BKZRRYYFGKVNOZ-CYBMUJFWSA-N 1 0 328.368 3.007 20 5 EGBDRO COCC1([NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)Cc2ccccc2C1 ZINC001173229839 1384940721 /nfs/dbraw/zinc/94/07/21/1384940721.db2.gz VSWUHFQLDMAGIY-HNNXBMFYSA-N 1 0 340.423 3.299 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H](O)c1ccc(F)c(F)c1 ZINC001173234985 1384941899 /nfs/dbraw/zinc/94/18/99/1384941899.db2.gz RLVWBWKNTMOEEY-DIFFPNOSSA-N 1 0 336.338 3.127 20 5 EGBDRO CC(C)C(=O)N(C)C1CC[NH+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173238371 1384943024 /nfs/dbraw/zinc/94/30/24/1384943024.db2.gz QPOQLJXPWDHAAN-OAHLLOKOSA-N 1 0 347.459 3.105 20 5 EGBDRO Cc1ccc(C[N@@H+]2CCCN(c3nccc(C)c3[N+](=O)[O-])CC2)cc1 ZINC001318519144 1385733367 /nfs/dbraw/zinc/73/33/67/1385733367.db2.gz SGRKKMVMQKASIP-UHFFFAOYSA-N 1 0 340.427 3.319 20 5 EGBDRO CC(=O)N(CCC[NH2+]Cc1cccc([N+](=O)[O-])c1)CC1CCCC1 ZINC001177174168 1385844342 /nfs/dbraw/zinc/84/43/42/1385844342.db2.gz DXCHVTOQTWPUNL-UHFFFAOYSA-N 1 0 333.432 3.113 20 5 EGBDRO O=C(CC[N@@H+]1CC[C@H]2CCCC[C@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC001319392490 1386100947 /nfs/dbraw/zinc/10/09/47/1386100947.db2.gz VJVNPHOGWZLSQZ-CABCVRRESA-N 1 0 331.416 3.436 20 5 EGBDRO O=C(C=C1CCC1)NCCCCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001178171378 1386149037 /nfs/dbraw/zinc/14/90/37/1386149037.db2.gz RYZQZJSLTLKSDU-UHFFFAOYSA-N 1 0 345.443 3.471 20 5 EGBDRO CC(C)(C)[NH+]1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC001319646091 1386229467 /nfs/dbraw/zinc/22/94/67/1386229467.db2.gz HWZIWCNGFJETDF-UHFFFAOYSA-N 1 0 344.415 3.166 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC001322446696 1387187679 /nfs/dbraw/zinc/18/76/79/1387187679.db2.gz IXZYDEKYVUCFIY-UHFFFAOYSA-N 1 0 334.420 3.160 20 5 EGBDRO C[NH+](C)[C@H]1CCCC[C@H]1Nc1ncc([N+](=O)[O-])cc1Br ZINC001322473438 1387193203 /nfs/dbraw/zinc/19/32/03/1387193203.db2.gz XSPQZSCJWQQBAH-NEPJUHHUSA-N 1 0 343.225 3.037 20 5 EGBDRO C[NH+]1CCC(C)(CNc2ncnc3c(Cl)cc([N+](=O)[O-])cc23)CC1 ZINC001330042058 1389292481 /nfs/dbraw/zinc/29/24/81/1389292481.db2.gz KDLKSWFQUBISID-UHFFFAOYSA-N 1 0 349.822 3.335 20 5 EGBDRO Cc1nc(N[C@H](C[NH+]2CCCCC2)c2ccccc2)ncc1[N+](=O)[O-] ZINC001330588959 1389462923 /nfs/dbraw/zinc/46/29/23/1389462923.db2.gz CSKADZMLBFPFRH-MRXNPFEDSA-N 1 0 341.415 3.332 20 5 EGBDRO C[C@H]([NH2+]Cc1c(Br)cccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC001334056864 1390468746 /nfs/dbraw/zinc/46/87/46/1390468746.db2.gz KVFDOCAWOPAFDZ-WDEREUQCSA-N 1 0 343.221 3.262 20 5 EGBDRO CC[NH+](CC)C1CCN(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)CC1 ZINC001334076440 1390473052 /nfs/dbraw/zinc/47/30/52/1390473052.db2.gz RKFABFAPBPYYBY-UHFFFAOYSA-N 1 0 338.383 3.072 20 5 EGBDRO CC[N@@H+]1CCCC[C@@H]1CNc1ncnc2c(Cl)cc([N+](=O)[O-])cc12 ZINC001343098342 1390691537 /nfs/dbraw/zinc/69/15/37/1390691537.db2.gz STNNAGKOYUACSD-LLVKDONJSA-N 1 0 349.822 3.478 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](CO)CC1CCOCC1 ZINC001343794409 1390737152 /nfs/dbraw/zinc/73/71/52/1390737152.db2.gz HRPWZSYKWRSKBP-YHTSIIMFSA-N 1 0 348.443 3.013 20 5 EGBDRO C[C@@H](C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)[C@@H]([NH3+])c1ccccc1 ZINC001344790322 1390815142 /nfs/dbraw/zinc/81/51/42/1390815142.db2.gz VFFVNXSADQBSTD-IIYDPXPESA-N 1 0 327.384 3.108 20 5 EGBDRO CC(C)n1cc2c(n1)[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)CCC2 ZINC001345636742 1390870986 /nfs/dbraw/zinc/87/09/86/1390870986.db2.gz PEBVESJNTWQXBD-SJORKVTESA-N 1 0 344.415 3.073 20 5 EGBDRO CN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)CC1=CCCCC1 ZINC001753176139 1440336638 /nfs/dbraw/zinc/33/66/38/1440336638.db2.gz FZGYJIXWBMSZIB-UHFFFAOYSA-N 1 0 331.416 3.033 20 5 EGBDRO CN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)C1CCC(C)(C)CC1 ZINC001753266564 1440344867 /nfs/dbraw/zinc/34/48/67/1440344867.db2.gz RXOUPCJWQQXBJW-UHFFFAOYSA-N 1 0 347.459 3.359 20 5 EGBDRO CC[C@H](CSC)[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000129677585 529409698 /nfs/dbraw/zinc/40/96/98/529409698.db2.gz PSXNDDFIHOOUFX-LLVKDONJSA-N 1 0 343.424 3.136 20 5 EGBDRO CC[C@@H](NC(=O)NC1CC[NH+](C(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000175555299 529617656 /nfs/dbraw/zinc/61/76/56/529617656.db2.gz WNGKXLMPYMFSTB-QGZVFWFLSA-N 1 0 348.447 3.218 20 5 EGBDRO C[C@H]([NH2+]CCCS(=O)(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000178651064 232338868 /nfs/dbraw/zinc/33/88/68/232338868.db2.gz GXNADKLGTMVXBU-AWEZNQCLSA-N 1 0 348.424 3.109 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000179446309 233042737 /nfs/dbraw/zinc/04/27/37/233042737.db2.gz RSUSJZXZLGDKCL-UHFFFAOYSA-N 1 0 345.443 3.124 20 5 EGBDRO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])c2cnccc12)c1ccco1 ZINC000067949218 215257882 /nfs/dbraw/zinc/25/78/82/215257882.db2.gz GJIQRVXMPNIUKP-INIZCTEOSA-N 1 0 326.356 3.451 20 5 EGBDRO COc1ccc(OCC[NH2+][C@@H](C)c2cccc(O)c2)c([N+](=O)[O-])c1 ZINC000181518244 234214908 /nfs/dbraw/zinc/21/49/08/234214908.db2.gz SHZPDNYTEOSCBE-LBPRGKRZSA-N 1 0 332.356 3.039 20 5 EGBDRO C[C@@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H](C)c1ccccc1 ZINC000183383934 235037370 /nfs/dbraw/zinc/03/73/70/235037370.db2.gz IDIQTUJGERLHQZ-INMHGKMJSA-N 1 0 344.411 3.116 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H](Cc2ccccc2)C2CC2)c1 ZINC000183419145 235062854 /nfs/dbraw/zinc/06/28/54/235062854.db2.gz MJRQAXCNEKQJCW-MOPGFXCFSA-N 1 0 326.396 3.239 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000194477235 240598300 /nfs/dbraw/zinc/59/83/00/240598300.db2.gz KAZCBQIVLZCRMW-FZKQIMNGSA-N 1 0 333.432 3.144 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H](O)C3CC3)o2)c(Cl)c1 ZINC000265103509 247205386 /nfs/dbraw/zinc/20/53/86/247205386.db2.gz UFVFWMMUNWYBBG-OAHLLOKOSA-N 1 0 336.775 3.369 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(OCC[NH+](C)C)cc2)c1 ZINC000266027989 248043192 /nfs/dbraw/zinc/04/31/92/248043192.db2.gz LSMMCVODGQLFTG-UHFFFAOYSA-N 1 0 343.383 3.096 20 5 EGBDRO C[NH+](C)CCC1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000266076508 248080991 /nfs/dbraw/zinc/08/09/91/248080991.db2.gz XHQJIKVGNKEAEH-UHFFFAOYSA-N 1 0 347.459 3.063 20 5 EGBDRO CCn1cnnc1[C@H]1CCC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000266549362 248355648 /nfs/dbraw/zinc/35/56/48/248355648.db2.gz SZVFQDZAALLISI-KBPBESRZSA-N 1 0 329.404 3.147 20 5 EGBDRO CC(C)(C)[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccccc1 ZINC000090552439 217938684 /nfs/dbraw/zinc/93/86/84/217938684.db2.gz BIUVAVWBUVWJGP-UHFFFAOYSA-N 1 0 329.400 3.057 20 5 EGBDRO COc1cc(NCC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc(OC)c1 ZINC000090719397 217950034 /nfs/dbraw/zinc/95/00/34/217950034.db2.gz GXMNQEOCUXRAEL-CYBMUJFWSA-N 1 0 345.399 3.375 20 5 EGBDRO Cn1cc(C[NH+]2C[C@@H]3CCC[C@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093442931 218226268 /nfs/dbraw/zinc/22/62/68/218226268.db2.gz JABIRRHJINLDFP-GJZGRUSLSA-N 1 0 326.400 3.227 20 5 EGBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000094129492 218265663 /nfs/dbraw/zinc/26/56/63/218265663.db2.gz XKXVCVHUALPSTE-OAHLLOKOSA-N 1 0 333.432 3.124 20 5 EGBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000153244425 224078947 /nfs/dbraw/zinc/07/89/47/224078947.db2.gz UIDZSPWBKOEEPF-BNOWGMLFSA-N 1 0 328.372 3.438 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCCOC[C@@H]1CCCO1)C1CC1 ZINC000268740251 252190268 /nfs/dbraw/zinc/19/02/68/252190268.db2.gz PQFJSUCXDVAKFN-ZWKOTPCHSA-N 1 0 348.443 3.091 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+](Cc2cccc(O)c2)CC2CC2)c1 ZINC000154271590 224229335 /nfs/dbraw/zinc/22/93/35/224229335.db2.gz WNHCPXHDNOJWCQ-LJQANCHMSA-N 1 0 342.395 3.246 20 5 EGBDRO CC(C)[NH2+]C1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000119918911 221436212 /nfs/dbraw/zinc/43/62/12/221436212.db2.gz HBNYDNVJHQTTLO-UHFFFAOYSA-N 1 0 344.415 3.212 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccc(NC(N)=O)cc1 ZINC000344844790 533384386 /nfs/dbraw/zinc/38/43/86/533384386.db2.gz CLIOFFIQIQRUAC-LCYFTJDESA-N 1 0 340.383 3.279 20 5 EGBDRO C[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C[C@H]1CCC[C@H]1O ZINC000246767421 141033069 /nfs/dbraw/zinc/03/30/69/141033069.db2.gz PTZXWSPVZCAHHW-CXAGYDPISA-N 1 0 330.384 3.448 20 5 EGBDRO COc1cc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)ccc1[N+](=O)[O-] ZINC000269436778 141060230 /nfs/dbraw/zinc/06/02/30/141060230.db2.gz RKMOIWCNLGKCPA-XJKSGUPXSA-N 1 0 331.416 3.057 20 5 EGBDRO CC[C@@H]1CCC[C@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000348146851 141238388 /nfs/dbraw/zinc/23/83/88/141238388.db2.gz FWHTWHCUTNNXMX-TZMCWYRMSA-N 1 0 335.404 3.100 20 5 EGBDRO CCCN(CC[NH+]1CCCCC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000353358011 141294961 /nfs/dbraw/zinc/29/49/61/141294961.db2.gz WMGWDSSVTMIQDR-UHFFFAOYSA-N 1 0 334.420 3.325 20 5 EGBDRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000356230790 141324060 /nfs/dbraw/zinc/32/40/60/141324060.db2.gz VHLLWFSMMDLSED-LBPRGKRZSA-N 1 0 339.823 3.243 20 5 EGBDRO Cc1nc(C)c(CC[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)s1 ZINC000351498646 144270233 /nfs/dbraw/zinc/27/02/33/144270233.db2.gz BZJKOFLONOYKHP-ZIAGYGMSSA-N 1 0 349.460 3.181 20 5 EGBDRO Cc1nc(C)c(CC[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)s1 ZINC000351498638 144270237 /nfs/dbraw/zinc/27/02/37/144270237.db2.gz BZJKOFLONOYKHP-KBPBESRZSA-N 1 0 349.460 3.181 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2noc(C[N@H+](CC3CC3)C3CCC3)n2)cc1 ZINC000361580365 144331658 /nfs/dbraw/zinc/33/16/58/144331658.db2.gz XQDVQWGXAPJXJQ-UHFFFAOYSA-N 1 0 328.372 3.409 20 5 EGBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000341451233 155299218 /nfs/dbraw/zinc/29/92/18/155299218.db2.gz GQCDSZGEXDGDHQ-MRXNPFEDSA-N 1 0 332.379 3.489 20 5 EGBDRO C[S@](=O)CCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000116918297 152080917 /nfs/dbraw/zinc/08/09/17/152080917.db2.gz WARCRXFZRQXUOQ-JOCHJYFZSA-N 1 0 338.454 3.182 20 5 EGBDRO C[N@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)CC1CCCC1 ZINC000117337015 152094100 /nfs/dbraw/zinc/09/41/00/152094100.db2.gz YOWVYFHQFMZDEN-UHFFFAOYSA-N 1 0 333.388 3.015 20 5 EGBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH+](CC1CC1)CC1CC1 ZINC000117342141 152095344 /nfs/dbraw/zinc/09/53/44/152095344.db2.gz QHYXFJXYEUNOAK-UHFFFAOYSA-N 1 0 345.399 3.015 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCC[C@H]1C(C)C ZINC000117347341 152097028 /nfs/dbraw/zinc/09/70/28/152097028.db2.gz ONDILCSIQWSGBF-HNNXBMFYSA-N 1 0 335.404 3.052 20 5 EGBDRO CC(C)n1cnnc1[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000118860387 152159184 /nfs/dbraw/zinc/15/91/84/152159184.db2.gz DMBKINDMTDDZJF-HNNXBMFYSA-N 1 0 329.404 3.147 20 5 EGBDRO C[C@@H]([NH2+]CC(=O)N(C)[C@H](C)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000341595638 155375178 /nfs/dbraw/zinc/37/51/78/155375178.db2.gz OKNGSXJUZYTXDR-HUUCEWRRSA-N 1 0 341.411 3.465 20 5 EGBDRO CCn1nc(C)c([N+](=O)[O-])c1N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000192757475 153258146 /nfs/dbraw/zinc/25/81/46/153258146.db2.gz JZECNZNYIGWHRS-JSGCOSHPSA-N 1 0 335.452 3.185 20 5 EGBDRO Cc1cc(NCc2nccs2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000195303383 153392074 /nfs/dbraw/zinc/39/20/74/153392074.db2.gz PYYOJRBTOQOQRB-UHFFFAOYSA-N 1 0 327.369 3.429 20 5 EGBDRO C[C@H]1CN(Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C[C@@H]1[NH3+] ZINC000262079593 153777861 /nfs/dbraw/zinc/77/78/61/153777861.db2.gz SXHFXZBTRAAFHQ-LRDDRELGSA-N 1 0 345.374 3.305 20 5 EGBDRO CC[NH2+][C@H](C)CNC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000262427499 153818347 /nfs/dbraw/zinc/81/83/47/153818347.db2.gz DDFHEHWEHNIHRC-CYBMUJFWSA-N 1 0 343.383 3.115 20 5 EGBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000302999031 154034344 /nfs/dbraw/zinc/03/43/44/154034344.db2.gz MMDNZJJLRZEQLS-MCIONIFRSA-N 1 0 334.420 3.083 20 5 EGBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310971558 154144974 /nfs/dbraw/zinc/14/49/74/154144974.db2.gz RHZZSIAVVZHNDF-MRXNPFEDSA-N 1 0 343.431 3.054 20 5 EGBDRO C[NH+](C)C1(CNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])CCCC1 ZINC000322929503 154169417 /nfs/dbraw/zinc/16/94/17/154169417.db2.gz MWJILWUJVCPGJI-UHFFFAOYSA-N 1 0 332.326 3.295 20 5 EGBDRO CCC[C@@]1(COC)CCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337456861 154363150 /nfs/dbraw/zinc/36/31/50/154363150.db2.gz IDZLDMGAXYRDKR-SFHVURJKSA-N 1 0 349.431 3.205 20 5 EGBDRO Cc1cc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])cc2cccnc12 ZINC000348923599 156290431 /nfs/dbraw/zinc/29/04/31/156290431.db2.gz UJIJTDWYKBDCOL-UHFFFAOYSA-N 1 0 336.395 3.417 20 5 EGBDRO Cc1ccccc1CCC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365504098 157149207 /nfs/dbraw/zinc/14/92/07/157149207.db2.gz AQWHKASJVGYPSM-UHFFFAOYSA-N 1 0 328.416 3.369 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@]1(C)CCO[C@@H]1C1CC1 ZINC000368765533 157284978 /nfs/dbraw/zinc/28/49/78/157284978.db2.gz PNNJTWGSGXDOKN-MSOLQXFVSA-N 1 0 334.416 3.288 20 5 EGBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](CCc3ccccc3)CC2)nc1 ZINC000075669880 161706751 /nfs/dbraw/zinc/70/67/51/161706751.db2.gz HQEBEIJHMILARM-UHFFFAOYSA-N 1 0 326.400 3.109 20 5 EGBDRO C[C@@H](c1ccco1)[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000248477235 163009025 /nfs/dbraw/zinc/00/90/25/163009025.db2.gz YQEZHOFNKBPXHB-DZGCQCFKSA-N 1 0 346.383 3.153 20 5 EGBDRO CC(C)C[C@H](C)C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000337194682 163159416 /nfs/dbraw/zinc/15/94/16/163159416.db2.gz WKMYTQJIECDLHG-HNNXBMFYSA-N 1 0 333.432 3.035 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(NCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000338692561 163319948 /nfs/dbraw/zinc/31/99/48/163319948.db2.gz IWGZNVVGKNPDKS-UHFFFAOYSA-N 1 0 342.399 3.327 20 5 EGBDRO CCCC[N@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C1CC1 ZINC000343676016 164010112 /nfs/dbraw/zinc/01/01/12/164010112.db2.gz CERRWGVDCGHBDO-UHFFFAOYSA-N 1 0 333.388 3.157 20 5 EGBDRO COc1cccc(C[C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000344126718 164109404 /nfs/dbraw/zinc/10/94/04/164109404.db2.gz IHBPHBMMGYYACC-LLVKDONJSA-N 1 0 335.791 3.373 20 5 EGBDRO CC[NH+](CC)[C@H](CNC(=O)c1csc([N+](=O)[O-])c1)CC(C)C ZINC000344364123 164164519 /nfs/dbraw/zinc/16/45/19/164164519.db2.gz SDOOIRUKSLVINN-ZDUSSCGKSA-N 1 0 327.450 3.143 20 5 EGBDRO CCC[N@H+](CC)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000346328496 164369495 /nfs/dbraw/zinc/36/94/95/164369495.db2.gz ZAPZPAWCAGBRPV-UHFFFAOYSA-N 1 0 344.209 3.028 20 5 EGBDRO C[NH+](C)CC[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1F)C(C)(C)C ZINC000351610646 165102131 /nfs/dbraw/zinc/10/21/31/165102131.db2.gz OQVKSFLTAHHBCC-CQSZACIVSA-N 1 0 340.399 3.222 20 5 EGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCc1ccn(C)n1 ZINC000355065731 166097909 /nfs/dbraw/zinc/09/79/09/166097909.db2.gz TZOXQJJJQBHGCC-ZDUSSCGKSA-N 1 0 334.445 3.031 20 5 EGBDRO COc1cc(C[NH2+]CCCc2ccccc2F)c([N+](=O)[O-])cc1OC ZINC000355589718 166252812 /nfs/dbraw/zinc/25/28/12/166252812.db2.gz XXSPJCOWLROKCA-UHFFFAOYSA-N 1 0 348.374 3.474 20 5 EGBDRO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)N1Cc2ccccc2C1 ZINC000359041074 167047270 /nfs/dbraw/zinc/04/72/70/167047270.db2.gz WZCKILURANHKSD-ZIAGYGMSSA-N 1 0 339.395 3.176 20 5 EGBDRO COc1ccccc1[C@H](CNc1nc(C)cc(C)c1[N+](=O)[O-])[NH+](C)C ZINC000359085017 167062836 /nfs/dbraw/zinc/06/28/36/167062836.db2.gz SJSSQZKPWUOHOV-HNNXBMFYSA-N 1 0 344.415 3.330 20 5 EGBDRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)c1cccc(C)c1[N+](=O)[O-])c1ccco1 ZINC000359550259 167189121 /nfs/dbraw/zinc/18/91/21/167189121.db2.gz XOPMFXRNKUJCKU-HIFRSBDPSA-N 1 0 345.399 3.355 20 5 EGBDRO CCC[C@H]([NH2+]C[C@H](C(C)C)N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000359686975 167209646 /nfs/dbraw/zinc/20/96/46/167209646.db2.gz PDUQYWGUVZJVER-RBUKOAKNSA-N 1 0 349.475 3.382 20 5 EGBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000359744371 167220954 /nfs/dbraw/zinc/22/09/54/167220954.db2.gz PZNAKWGGISRROE-GFCCVEGCSA-N 1 0 339.461 3.167 20 5 EGBDRO CC[C@@H]([NH2+]C[C@H](CO)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000360340308 167307462 /nfs/dbraw/zinc/30/74/62/167307462.db2.gz YGGOTWXQHNQFGH-VQIMIIECSA-N 1 0 328.412 3.487 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[NH+]1CCC(O)(Cc2ccccc2F)CC1 ZINC000365864285 168053525 /nfs/dbraw/zinc/05/35/25/168053525.db2.gz SPWCJQLKCIYNQD-UHFFFAOYSA-N 1 0 344.386 3.304 20 5 EGBDRO O=C1NCCCC[C@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000238088922 266254216 /nfs/dbraw/zinc/25/42/16/266254216.db2.gz GDXFOUWQGFJBEG-OAHLLOKOSA-N 1 0 345.424 3.082 20 5 EGBDRO COc1ccc(C(=O)Nc2cc(C)cc(C[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000270379927 266504182 /nfs/dbraw/zinc/50/41/82/266504182.db2.gz NCLWZHFXWKRDPC-UHFFFAOYSA-N 1 0 343.383 3.226 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@H](O)CCc1ccccc1 ZINC000273084092 266973811 /nfs/dbraw/zinc/97/38/11/266973811.db2.gz JPLYEQJSIRSZHU-WGLAMXGCSA-N 1 0 326.396 3.191 20 5 EGBDRO CC[C@@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000273147487 266985042 /nfs/dbraw/zinc/98/50/42/266985042.db2.gz LFOXLOXDMNVHFY-HZPDHXFCSA-N 1 0 330.384 3.075 20 5 EGBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)[C@@]12CCCO2 ZINC000273537104 267055593 /nfs/dbraw/zinc/05/55/93/267055593.db2.gz AQMZJSHDXOJHSG-OAGGEKHMSA-N 1 0 340.807 3.064 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+]CCc2cn3c(n2)SCC3)cc1[N+](=O)[O-] ZINC000274334458 267219170 /nfs/dbraw/zinc/21/91/70/267219170.db2.gz BRLPCYCXVKPJCR-GFCCVEGCSA-N 1 0 332.429 3.099 20 5 EGBDRO Cc1nccn1CCC[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000274362491 267224936 /nfs/dbraw/zinc/22/49/36/267224936.db2.gz NVGSZGFTPFRRKH-AEFFLSMTSA-N 1 0 342.443 3.491 20 5 EGBDRO CCC(C)(C)[NH2+][C@H](C)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000274856783 267297654 /nfs/dbraw/zinc/29/76/54/267297654.db2.gz VCBYHRWFVALAFM-SNVBAGLBSA-N 1 0 327.812 3.031 20 5 EGBDRO COc1ccc(CNc2ccccc2CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000275649185 267399755 /nfs/dbraw/zinc/39/97/55/267399755.db2.gz SZWYXVQIARYNJI-UHFFFAOYSA-N 1 0 329.400 3.320 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@H]1CCN(c3ccccn3)C1)CCC2 ZINC000249044197 275038064 /nfs/dbraw/zinc/03/80/64/275038064.db2.gz VOUGHZZBIGJZMI-YJBOKZPZSA-N 1 0 338.411 3.236 20 5 EGBDRO C[NH+](C)Cc1cccc(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])c1 ZINC000047452781 275141695 /nfs/dbraw/zinc/14/16/95/275141695.db2.gz FPVGBOXHGHOHHV-ZHACJKMWSA-N 1 0 325.368 3.308 20 5 EGBDRO CCOc1ccc([C@@H](C)[NH2+]CC2([C@H](O)C(C)C)CC2)cc1[N+](=O)[O-] ZINC000271919221 275241509 /nfs/dbraw/zinc/24/15/09/275241509.db2.gz ZPMDWKONPVVXTQ-CXAGYDPISA-N 1 0 336.432 3.441 20 5 EGBDRO CC(=O)Nc1ccc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cn1 ZINC000279188780 275311022 /nfs/dbraw/zinc/31/10/22/275311022.db2.gz WGAHNIQPWFBYLM-LBPRGKRZSA-N 1 0 328.372 3.107 20 5 EGBDRO COCC1(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CCC1 ZINC000281846737 275581917 /nfs/dbraw/zinc/58/19/17/275581917.db2.gz BAIYUVVTWFUABY-UHFFFAOYSA-N 1 0 330.331 3.103 20 5 EGBDRO C[NH+](C)CCc1ccc(Nc2ncnc3sc([N+](=O)[O-])cc32)cc1 ZINC000286414916 275996585 /nfs/dbraw/zinc/99/65/85/275996585.db2.gz AYSSVJVUVBNZJF-UHFFFAOYSA-N 1 0 343.412 3.447 20 5 EGBDRO CC[NH+](CC)C[C@@H]1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000286556099 276016332 /nfs/dbraw/zinc/01/63/32/276016332.db2.gz VENTUGICEFPWLD-LBPRGKRZSA-N 1 0 327.375 3.037 20 5 EGBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000286580794 276019213 /nfs/dbraw/zinc/01/92/13/276019213.db2.gz YILRWVFRWARFRV-AAEUAGOBSA-N 1 0 341.358 3.259 20 5 EGBDRO CCC[C@H]([NH2+][C@H](C)[C@H](C)N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000247943435 276045224 /nfs/dbraw/zinc/04/52/24/276045224.db2.gz DFLPXEDNJCILFP-VKJFTORMSA-N 1 0 335.448 3.135 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000287774592 276155890 /nfs/dbraw/zinc/15/58/90/276155890.db2.gz YJAQGJRZEYISKE-GOEBONIOSA-N 1 0 346.431 3.302 20 5 EGBDRO C[NH+](C)CCCOc1cnccc1CNc1ccc([N+](=O)[O-])cc1F ZINC000288337676 276203536 /nfs/dbraw/zinc/20/35/36/276203536.db2.gz WDFPIPIROHUNBC-UHFFFAOYSA-N 1 0 348.378 3.072 20 5 EGBDRO Cn1cc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])c(C(C)(C)C)n1 ZINC000289085704 276288896 /nfs/dbraw/zinc/28/88/96/276288896.db2.gz BFAUDIJAXQJOKQ-UHFFFAOYSA-N 1 0 330.432 3.300 20 5 EGBDRO Cc1ccc(C[N@@H+]2CCC[C@](O)(C(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC000289652809 276372664 /nfs/dbraw/zinc/37/26/64/276372664.db2.gz MUELNSSCDAZVSM-CQSZACIVSA-N 1 0 332.322 3.183 20 5 EGBDRO Cc1ccc(C[NH2+]C[C@]2(CO)C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000289773644 276391952 /nfs/dbraw/zinc/39/19/52/276391952.db2.gz IYQVLHUYYWDFHV-HKUYNNGSSA-N 1 0 326.396 3.159 20 5 EGBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000289847112 276405333 /nfs/dbraw/zinc/40/53/33/276405333.db2.gz XQZFUIWFLCGFEK-LLVKDONJSA-N 1 0 340.811 3.244 20 5 EGBDRO COCC(C)(C)CCC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000348314914 277480510 /nfs/dbraw/zinc/48/05/10/277480510.db2.gz HVNDUURTIGYMCW-HUUCEWRRSA-N 1 0 338.452 3.317 20 5 EGBDRO CC(C)c1ccc(C[N@@H+]2CCS[C@@H]3COCC[C@@H]32)cc1[N+](=O)[O-] ZINC000091856149 278036311 /nfs/dbraw/zinc/03/63/11/278036311.db2.gz PKQOIAZSVQADOP-DOTOQJQBSA-N 1 0 336.457 3.425 20 5 EGBDRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000122789882 278438854 /nfs/dbraw/zinc/43/88/54/278438854.db2.gz NNHPBKGAJLMZDP-ZIAGYGMSSA-N 1 0 335.404 3.130 20 5 EGBDRO CC[C@H]([NH2+][C@@H]1CCOC2(CCOCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000358318115 288070866 /nfs/dbraw/zinc/07/08/66/288070866.db2.gz LYARBLSNUKJGKJ-WBVHZDCISA-N 1 0 334.416 3.364 20 5 EGBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000339096948 279322359 /nfs/dbraw/zinc/32/23/59/279322359.db2.gz MFQHUJDYPRKYPU-MGPQQGTHSA-N 1 0 334.420 3.083 20 5 EGBDRO Cc1cc(N2CC[C@H]([C@@H]3CCOC3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000374664852 280577289 /nfs/dbraw/zinc/57/72/89/280577289.db2.gz QZYUFGVNDCSXEH-UONOGXRCSA-N 1 0 327.384 3.314 20 5 EGBDRO Cc1ccccc1[C@H]([C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000357852221 292688515 /nfs/dbraw/zinc/68/85/15/292688515.db2.gz NIXIBTRTHYYDHX-KSSFIOAISA-N 1 0 341.411 3.324 20 5 EGBDRO C[NH+](C)CCN(CC1CCCCC1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000067678522 289135594 /nfs/dbraw/zinc/13/55/94/289135594.db2.gz ZPEZIMMBSADZMR-UHFFFAOYSA-N 1 0 333.432 3.179 20 5 EGBDRO C[NH+](C)CCN(Cc1ccc(F)cc1)Cc1ccccc1[N+](=O)[O-] ZINC000349034419 289145805 /nfs/dbraw/zinc/14/58/05/289145805.db2.gz CZMSUPGVZKSGMD-UHFFFAOYSA-N 1 0 331.391 3.298 20 5 EGBDRO CCC[NH+](CCC)CCCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000076225761 307404802 /nfs/dbraw/zinc/40/48/02/307404802.db2.gz HTHNZZXMMNMDNT-UHFFFAOYSA-N 1 0 341.839 3.490 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+][C@H]1CC[C@@H](CO)CC1 ZINC000130498743 307629740 /nfs/dbraw/zinc/62/97/40/307629740.db2.gz UNBAMJXZVSNLPK-AHCXZYCDSA-N 1 0 332.444 3.447 20 5 EGBDRO O=[N+]([O-])c1cccc(C[NH2+]CCOc2ccc(C(F)(F)F)cn2)c1 ZINC000152224032 307748255 /nfs/dbraw/zinc/74/82/55/307748255.db2.gz QZEFKXDWPOWFEL-UHFFFAOYSA-N 1 0 341.289 3.177 20 5 EGBDRO CC[C@H]([NH2+]C[C@@H](O)COc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000152573294 307755514 /nfs/dbraw/zinc/75/55/14/307755514.db2.gz FVPRYZCYEVIOHU-AEFFLSMTSA-N 1 0 348.374 3.215 20 5 EGBDRO Cc1c([C@H](C)[NH2+]CCNC(=O)CC2CCCC2)cccc1[N+](=O)[O-] ZINC000153659400 307778116 /nfs/dbraw/zinc/77/81/16/307778116.db2.gz KKDUPFDFVJVFRZ-AWEZNQCLSA-N 1 0 333.432 3.250 20 5 EGBDRO CCOc1ccc([C@H](C)[NH2+]CCC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000153964857 307785076 /nfs/dbraw/zinc/78/50/76/307785076.db2.gz CKCWHDUIUMRKSF-LBPRGKRZSA-N 1 0 338.404 3.376 20 5 EGBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCCC(F)(F)[C@H]2O)cc1[N+](=O)[O-] ZINC000414298824 309071251 /nfs/dbraw/zinc/07/12/51/309071251.db2.gz KFZGFHOTHKYGEU-NVBFEUDRSA-N 1 0 344.358 3.193 20 5 EGBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCCC(F)(F)[C@H]2O)cc1[N+](=O)[O-] ZINC000414298821 309071378 /nfs/dbraw/zinc/07/13/78/309071378.db2.gz KFZGFHOTHKYGEU-HCKVZZMMSA-N 1 0 344.358 3.193 20 5 EGBDRO CC(C)(C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)c1cccnc1 ZINC000414325912 309073167 /nfs/dbraw/zinc/07/31/67/309073167.db2.gz DIFMBKIXJIEBMB-HOTGVXAUSA-N 1 0 343.431 3.237 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H]1CCN(CC(F)(F)F)C1 ZINC000163143040 307920098 /nfs/dbraw/zinc/92/00/98/307920098.db2.gz KTLHORREFFBSEQ-CHWSQXEVSA-N 1 0 345.365 3.438 20 5 EGBDRO C[C@H](C(=O)NCc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000249057411 308017983 /nfs/dbraw/zinc/01/79/83/308017983.db2.gz XVZKWBYTGDUXCB-GRYCIOLGSA-N 1 0 339.823 3.126 20 5 EGBDRO O=C(/C=C\c1ccccc1[N+](=O)[O-])N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000255495440 308051460 /nfs/dbraw/zinc/05/14/60/308051460.db2.gz XCMGJTBACUULEH-DOOKAGJSSA-N 1 0 343.427 3.085 20 5 EGBDRO C[C@@H]1CCC[C@]1(O)C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000292999998 308088785 /nfs/dbraw/zinc/08/87/85/308088785.db2.gz MZOMBFYEFNDDBT-PXAZEXFGSA-N 1 0 347.440 3.359 20 5 EGBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293261059 308114675 /nfs/dbraw/zinc/11/46/75/308114675.db2.gz UKZPDFMSCRDOTM-SNVBAGLBSA-N 1 0 347.337 3.074 20 5 EGBDRO C[C@H]([NH2+]C[C@H](c1ccsc1)N(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293829032 308165817 /nfs/dbraw/zinc/16/58/17/308165817.db2.gz SHYYQYIPIVNFHW-MEDUHNTESA-N 1 0 334.445 3.192 20 5 EGBDRO COc1ccc(C[N@@H+]2CC3(CCOCC3)[C@@H]2C(C)C)cc1[N+](=O)[O-] ZINC000414538821 309087290 /nfs/dbraw/zinc/08/72/90/309087290.db2.gz MSMUSPAUUNAGCO-KRWDZBQOSA-N 1 0 334.416 3.240 20 5 EGBDRO COc1ccccc1O[C@@H](C)C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294653123 308242385 /nfs/dbraw/zinc/24/23/85/308242385.db2.gz GWJJYXKNIRDVOY-STQMWFEESA-N 1 0 345.399 3.304 20 5 EGBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1c1nccc2cc([N+](=O)[O-])ccc21 ZINC000295663811 308348457 /nfs/dbraw/zinc/34/84/57/308348457.db2.gz IPFOCKJGIIKBFW-BBRMVZONSA-N 1 0 326.400 3.206 20 5 EGBDRO CCC[C@H]1C[NH2+]CCN1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000414662480 309094338 /nfs/dbraw/zinc/09/43/38/309094338.db2.gz QMELPDRXEWKEFF-INIZCTEOSA-N 1 0 346.456 3.292 20 5 EGBDRO C[C@H](NC(=O)NCCC[NH2+]C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000297693112 308556618 /nfs/dbraw/zinc/55/66/18/308556618.db2.gz QOUJGODUCZQENS-AWEZNQCLSA-N 1 0 348.447 3.267 20 5 EGBDRO C[C@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000298911866 308648830 /nfs/dbraw/zinc/64/88/30/308648830.db2.gz DQSIISOOCGEIHP-GFCCVEGCSA-N 1 0 339.823 3.100 20 5 EGBDRO O=[N+]([O-])c1c2cccnc2ccc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000301285769 308695065 /nfs/dbraw/zinc/69/50/65/308695065.db2.gz VIIVKFLOVILBKV-CQSZACIVSA-N 1 0 326.400 3.208 20 5 EGBDRO C[C@@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CCC[NH2+]C1 ZINC000414848300 309105271 /nfs/dbraw/zinc/10/52/71/309105271.db2.gz GKYDKSXXDAHRPJ-OCCSQVGLSA-N 1 0 346.456 3.196 20 5 EGBDRO Cc1nn(Cc2cccc(C[NH+]3CCCCC3)c2)c(C)c1[N+](=O)[O-] ZINC000412981569 309010683 /nfs/dbraw/zinc/01/06/83/309010683.db2.gz HRXYPYXKZDFLON-UHFFFAOYSA-N 1 0 328.416 3.442 20 5 EGBDRO O=[N+]([O-])c1cnc(N[C@H](C[NH+]2CCCC2)c2ccccc2)c(F)c1 ZINC000413040122 309012850 /nfs/dbraw/zinc/01/28/50/309012850.db2.gz GGFBAVABSURLMO-MRXNPFEDSA-N 1 0 330.363 3.378 20 5 EGBDRO O=[N+]([O-])c1ccc(CN[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000414955730 309111282 /nfs/dbraw/zinc/11/12/82/309111282.db2.gz UKZDOXVZWBTQNE-CRAIPNDOSA-N 1 0 347.365 3.108 20 5 EGBDRO Cc1c(CNC(=O)C[C@H](c2ccccc2)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000416225001 309164613 /nfs/dbraw/zinc/16/46/13/309164613.db2.gz IJDYJBZFUXMWPR-GOSISDBHSA-N 1 0 341.411 3.212 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCN1CCSCC1)CCCC2 ZINC000417301716 309201021 /nfs/dbraw/zinc/20/10/21/309201021.db2.gz BWKDRORHHPPVMW-KRWDZBQOSA-N 1 0 335.473 3.001 20 5 EGBDRO CN(C)[C@]1(C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CCSC1 ZINC000417313888 309201289 /nfs/dbraw/zinc/20/12/89/309201289.db2.gz QITZFTILOKAMNQ-MSOLQXFVSA-N 1 0 349.500 3.389 20 5 EGBDRO CC[C@@H](C)NC(=O)CC[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417346576 309202454 /nfs/dbraw/zinc/20/24/54/309202454.db2.gz VWJGPBNXZQDOQU-DYVFJYSZSA-N 1 0 333.432 3.257 20 5 EGBDRO COCCOCCCC[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417344594 309202515 /nfs/dbraw/zinc/20/25/15/309202515.db2.gz SJUIFULXESOAQK-GOSISDBHSA-N 1 0 336.432 3.395 20 5 EGBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](CCOCC3CCC3)CC2)cc1 ZINC000419223242 309261596 /nfs/dbraw/zinc/26/15/96/309261596.db2.gz YHWVMLAAXKUEKJ-UHFFFAOYSA-N 1 0 334.416 3.255 20 5 EGBDRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2Nc1ccc([N+](=O)[O-])cc1Br ZINC000420280311 309279158 /nfs/dbraw/zinc/27/91/58/309279158.db2.gz KYZBMKYXRZKVSD-HZNSRWLBSA-N 1 0 340.221 3.285 20 5 EGBDRO [NH3+][C@@H]1CCC[C@@H](CNc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000420291598 309279773 /nfs/dbraw/zinc/27/97/73/309279773.db2.gz VUIIQQNJFOUNBC-MWLCHTKSSA-N 1 0 328.210 3.287 20 5 EGBDRO CC(=O)N[C@@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000421382127 309321949 /nfs/dbraw/zinc/32/19/49/309321949.db2.gz BIWUXAYXARGHRK-CQSZACIVSA-N 1 0 345.424 3.034 20 5 EGBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CCC[C@H](CCO)CC2)c1 ZINC000421391254 309322203 /nfs/dbraw/zinc/32/22/03/309322203.db2.gz AEKAJQBSPAMOCV-LBPRGKRZSA-N 1 0 344.358 3.181 20 5 EGBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000421678562 309334284 /nfs/dbraw/zinc/33/42/84/309334284.db2.gz BGSSXHSZXKNXGO-KLAILNCOSA-N 1 0 347.459 3.153 20 5 EGBDRO [NH3+][C@H](C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)C1CCC1 ZINC000423215299 309390907 /nfs/dbraw/zinc/39/09/07/309390907.db2.gz QGTSVHPSTLPPAF-KRWDZBQOSA-N 1 0 341.367 3.453 20 5 EGBDRO CC(C)c1ccc(C(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000424056721 309427684 /nfs/dbraw/zinc/42/76/84/309427684.db2.gz CEXCFGQGSIGBQG-GUTXKFCHSA-N 1 0 333.432 3.164 20 5 EGBDRO CC(C)(C)[NH+]1CCC(NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000429839302 309591275 /nfs/dbraw/zinc/59/12/75/309591275.db2.gz JNATUEUAXKJOIU-UHFFFAOYSA-N 1 0 347.459 3.252 20 5 EGBDRO CC1(C)C[C@H]([NH2+][C@@H](CO)CC(F)(F)F)c2cc([N+](=O)[O-])ccc21 ZINC000433301523 309685234 /nfs/dbraw/zinc/68/52/34/309685234.db2.gz GLWGCTQCWPIWEG-RNCFNFMXSA-N 1 0 332.322 3.220 20 5 EGBDRO O=[N+]([O-])c1ccc(NCC23CCC[NH+]2CCC3)nc1-c1ccccc1 ZINC000439121574 309826751 /nfs/dbraw/zinc/82/67/51/309826751.db2.gz VQNJKHBPRBILRU-UHFFFAOYSA-N 1 0 338.411 3.119 20 5 EGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2C[C@H]2Cc2ccccc2)n1 ZINC000447582008 309983238 /nfs/dbraw/zinc/98/32/38/309983238.db2.gz XBJRPTGVHBWCTF-XMTFNYHQSA-N 1 0 340.427 3.496 20 5 EGBDRO COc1ccc(OCC[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000449066723 310034214 /nfs/dbraw/zinc/03/42/14/310034214.db2.gz FACSTVKOSUKQIH-CQSZACIVSA-N 1 0 330.384 3.203 20 5 EGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCc2[nH]c(=O)ccc21 ZINC000449068763 310034429 /nfs/dbraw/zinc/03/44/29/310034429.db2.gz CMKJVAGTNAJXHW-IUODEOHRSA-N 1 0 327.384 3.294 20 5 EGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccc(C(=O)N(C)C)c1 ZINC000449073469 310035024 /nfs/dbraw/zinc/03/50/24/310035024.db2.gz NHLRDMGQNKVZRG-AWEZNQCLSA-N 1 0 341.411 3.017 20 5 EGBDRO COCCNc1ccc(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000449131526 310039230 /nfs/dbraw/zinc/03/92/30/310039230.db2.gz NIJDKVMLKOEDIP-OAHLLOKOSA-N 1 0 343.427 3.374 20 5 EGBDRO COCCNc1ccc(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000449131525 310039338 /nfs/dbraw/zinc/03/93/38/310039338.db2.gz NIJDKVMLKOEDIP-HNNXBMFYSA-N 1 0 343.427 3.374 20 5 EGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCO[C@]2(CCSC2)C1 ZINC000449188883 310043424 /nfs/dbraw/zinc/04/34/24/310043424.db2.gz GQOYJNSSDNQGEN-UKPHBRMFSA-N 1 0 336.457 3.170 20 5 EGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC(=O)N(C2CCCCC2)C1 ZINC000449237747 310046795 /nfs/dbraw/zinc/04/67/95/310046795.db2.gz CWMQZGPZXNHDPS-GOEBONIOSA-N 1 0 345.443 3.049 20 5 EGBDRO Cc1cccc2c1OC[C@@H]([NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])C2 ZINC000449332149 310054214 /nfs/dbraw/zinc/05/42/14/310054214.db2.gz BVQDUJZRAIOILP-PBHICJAKSA-N 1 0 326.396 3.428 20 5 EGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](CO)c1ccc(F)cc1 ZINC000449380490 310057608 /nfs/dbraw/zinc/05/76/08/310057608.db2.gz NKTUMFSYVFELMQ-SUMWQHHRSA-N 1 0 332.375 3.378 20 5 EGBDRO Cc1ccccc1CC[N@@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000449379881 310057710 /nfs/dbraw/zinc/05/77/10/310057710.db2.gz KLZKJVAOJKAQAH-UHFFFAOYSA-N 1 0 342.395 3.444 20 5 EGBDRO CO[C@@H](C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000449392998 310058427 /nfs/dbraw/zinc/05/84/27/310058427.db2.gz LJFMLCBRIMQQMG-RLGIIYIFSA-N 1 0 326.396 3.455 20 5 EGBDRO CCO[C@@H]1CCCC[C@H]1[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000449758893 310085038 /nfs/dbraw/zinc/08/50/38/310085038.db2.gz HQYIUKUJWHICJP-KBRIMQKVSA-N 1 0 349.431 3.249 20 5 EGBDRO Cc1nc(NC(C)(C)C[N@H+](C)Cc2ccccc2)ncc1[N+](=O)[O-] ZINC000450403695 310120519 /nfs/dbraw/zinc/12/05/19/310120519.db2.gz LVTBWEFAOKDQHP-UHFFFAOYSA-N 1 0 329.404 3.016 20 5 EGBDRO Cc1nc(NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)ncc1[N+](=O)[O-] ZINC000450451194 310123414 /nfs/dbraw/zinc/12/34/14/310123414.db2.gz FFLFWLZJYZEHEU-KRWDZBQOSA-N 1 0 341.415 3.016 20 5 EGBDRO C[C@H]([NH2+]CC(=O)Nc1ccc2c(c1)CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000451109785 310161066 /nfs/dbraw/zinc/16/10/66/310161066.db2.gz ZDQFYYSMIKTCOB-ZDUSSCGKSA-N 1 0 339.395 3.373 20 5 EGBDRO CC(C)O[C@H]1C[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1(C)C ZINC000451487943 310180802 /nfs/dbraw/zinc/18/08/02/310180802.db2.gz ACNHHHDVZJRFQO-CABCVRRESA-N 1 0 332.404 3.153 20 5 EGBDRO CO[C@@H]1C[C@@H]([NH2+][C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1(C)C ZINC000451511294 310181892 /nfs/dbraw/zinc/18/18/92/310181892.db2.gz WCJNIQYTLFFOLH-LERXQTSPSA-N 1 0 346.387 3.109 20 5 EGBDRO CCN(CC)C(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451543486 310184585 /nfs/dbraw/zinc/18/45/85/310184585.db2.gz BZAKDBYETDFSLM-ZBFHGGJFSA-N 1 0 333.432 3.031 20 5 EGBDRO Cc1cc(=O)[nH]c([C@H](C)[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000451552633 310185996 /nfs/dbraw/zinc/18/59/96/310185996.db2.gz WUETWMGSQGBAQV-ZFWWWQNUSA-N 1 0 342.399 3.339 20 5 EGBDRO CO[C@@H]1CC[N@@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]1C ZINC000451560808 310186492 /nfs/dbraw/zinc/18/64/92/310186492.db2.gz IHXZVPWRMGDZGW-SLEUVZQESA-N 1 0 346.387 3.063 20 5 EGBDRO CO[C@H]1CCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@H]1C ZINC000451566331 310186794 /nfs/dbraw/zinc/18/67/94/310186794.db2.gz MAQSPVLKODCDNQ-YGRLFVJLSA-N 1 0 332.322 3.470 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCSC[C@@H]1C1CC1 ZINC000451645774 310190766 /nfs/dbraw/zinc/19/07/66/310190766.db2.gz BVEMSUVLEDHEKX-MRXNPFEDSA-N 1 0 349.456 3.059 20 5 EGBDRO CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452834586 310244482 /nfs/dbraw/zinc/24/44/82/310244482.db2.gz BNBNGFZLYZMFQN-GOEBONIOSA-N 1 0 347.459 3.468 20 5 EGBDRO CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452834585 310244495 /nfs/dbraw/zinc/24/44/95/310244495.db2.gz BNBNGFZLYZMFQN-GDBMZVCRSA-N 1 0 347.459 3.468 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCO[C@@H](c3ccnn3C)C2)cc1[N+](=O)[O-] ZINC000453328200 310271252 /nfs/dbraw/zinc/27/12/52/310271252.db2.gz BSGHQTUAZISIPV-DHSIGJKJSA-N 1 0 344.415 3.208 20 5 EGBDRO C[C@H](Cc1cnn(C)c1)[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000453364736 310273133 /nfs/dbraw/zinc/27/31/33/310273133.db2.gz VNZGWUOQXOXREL-HFTRVMKXSA-N 1 0 342.443 3.260 20 5 EGBDRO Cc1c([C@H](C)[NH2+][C@H]2CCO[C@H](c3nccn3C)C2)cccc1[N+](=O)[O-] ZINC000453392351 310274544 /nfs/dbraw/zinc/27/45/44/310274544.db2.gz HWZOHDAHRCKWDB-ZQIUZPCESA-N 1 0 344.415 3.208 20 5 EGBDRO O=[N+]([O-])c1cccnc1N1CC[NH+](Cc2cccc3ccoc32)CC1 ZINC000453578040 310282625 /nfs/dbraw/zinc/28/26/25/310282625.db2.gz PAUYFQNJWPSSFK-UHFFFAOYSA-N 1 0 338.367 3.058 20 5 EGBDRO C[NH+](C)[C@H]1CCc2cc(NC(=O)Cc3ccccc3[N+](=O)[O-])ccc21 ZINC000456264444 310395532 /nfs/dbraw/zinc/39/55/32/310395532.db2.gz NKTRZVPLUXVPFB-SFHVURJKSA-N 1 0 339.395 3.325 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1Cc2cccc(OC)c2C1 ZINC000459699599 310569577 /nfs/dbraw/zinc/56/95/77/310569577.db2.gz MGEYAPKBPMRINB-HNNXBMFYSA-N 1 0 342.395 3.259 20 5 EGBDRO C[C@H]([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000459787847 310575516 /nfs/dbraw/zinc/57/55/16/310575516.db2.gz QNIDEEQIOREZPW-QPPBUOOMSA-N 1 0 337.807 3.353 20 5 EGBDRO Cc1cc(N2CC[C@H]([NH+]3CC=CC3)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461933341 310593657 /nfs/dbraw/zinc/59/36/57/310593657.db2.gz FIKDPUNNUQRHFC-LBPRGKRZSA-N 1 0 341.333 3.373 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(O)(C(F)F)CC1 ZINC000470208215 310719793 /nfs/dbraw/zinc/71/97/93/310719793.db2.gz YAWWRKPKVYQOEF-XFXZXTDPSA-N 1 0 326.343 3.090 20 5 EGBDRO CC[N@H+](CCNc1ncc([N+](=O)[O-])cc1Cl)CCC(F)(F)F ZINC000491598283 311186182 /nfs/dbraw/zinc/18/61/82/311186182.db2.gz DZWIWSQJEYQTTL-UHFFFAOYSA-N 1 0 340.733 3.329 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCNC(=O)OC(C)(C)C ZINC000492514247 311260191 /nfs/dbraw/zinc/26/01/91/311260191.db2.gz WCCDHJPMJLLBGZ-RAXLEYEMSA-N 1 0 335.404 3.112 20 5 EGBDRO CCCC[C@@H]1CCC[C@H]1[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000492846297 311298358 /nfs/dbraw/zinc/29/83/58/311298358.db2.gz IADBTBBDOUXIJM-RHSMWYFYSA-N 1 0 345.443 3.432 20 5 EGBDRO COC(=O)N1CCC[C@H]([C@@H](C)[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000496128816 311665938 /nfs/dbraw/zinc/66/59/38/311665938.db2.gz ZKOUTOCAYFNPFE-WWGRRREGSA-N 1 0 347.415 3.039 20 5 EGBDRO C[C@H](C[NH+]1CCCCCC1)NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000501208557 311940752 /nfs/dbraw/zinc/94/07/52/311940752.db2.gz KFQFINWXNVHFPV-OAHLLOKOSA-N 1 0 347.459 3.253 20 5 EGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](C)C[C@@H](C)O ZINC000504894013 312011974 /nfs/dbraw/zinc/01/19/74/312011974.db2.gz JEXCMFRZLMMATM-MGPQQGTHSA-N 1 0 326.462 3.462 20 5 EGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@](C)(O)C(C)C ZINC000504906310 312012494 /nfs/dbraw/zinc/01/24/94/312012494.db2.gz WGWCTHBWQKHBPF-XJKSGUPXSA-N 1 0 326.462 3.462 20 5 EGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCN(C)C(C)C ZINC000504926659 312012895 /nfs/dbraw/zinc/01/28/95/312012895.db2.gz KGABCRGZZPIGCZ-AWEZNQCLSA-N 1 0 325.478 3.395 20 5 EGBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C[C@H]1OCCc2ccccc21 ZINC000507253336 312065561 /nfs/dbraw/zinc/06/55/61/312065561.db2.gz NYBLKNYBNCNXMV-LJQANCHMSA-N 1 0 342.395 3.219 20 5 EGBDRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000507452562 312072466 /nfs/dbraw/zinc/07/24/66/312072466.db2.gz WJNUBIIXXNMHRP-KBPBESRZSA-N 1 0 333.432 3.081 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@H](n3ncc4ccccc43)C2)cc1 ZINC000510437044 312140726 /nfs/dbraw/zinc/14/07/26/312140726.db2.gz CLNJIVRVLZFEJH-SFHVURJKSA-N 1 0 336.395 3.434 20 5 EGBDRO C[C@@H]([NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccncc1F ZINC000510977188 312152050 /nfs/dbraw/zinc/15/20/50/312152050.db2.gz PDXMXBPCZZTWKH-NWDGAFQWSA-N 1 0 346.362 3.197 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CCC[N@@H+](C2CCCC2)CC1 ZINC000512547604 312189244 /nfs/dbraw/zinc/18/92/44/312189244.db2.gz PXOCBZZTPHSWRE-UHFFFAOYSA-N 1 0 347.459 3.444 20 5 EGBDRO CCc1ccc([C@H]2CCC[N@H+](CCn3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000513382625 312208638 /nfs/dbraw/zinc/20/86/38/312208638.db2.gz YBGIXMRXCDDQSC-KRWDZBQOSA-N 1 0 328.416 3.233 20 5 EGBDRO CC[C@@H]([NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C(C)(C)C ZINC000538390703 314243572 /nfs/dbraw/zinc/24/35/72/314243572.db2.gz USVWLUMXAZFUOF-OAHLLOKOSA-N 1 0 335.404 3.307 20 5 EGBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H](CC)C(C)(C)C)c([N+](=O)[O-])c1 ZINC000538390338 314243769 /nfs/dbraw/zinc/24/37/69/314243769.db2.gz QLUOHBKHUPPWLC-HNNXBMFYSA-N 1 0 337.420 3.346 20 5 EGBDRO COc1ccc(F)cc1[C@@H](C)[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000539271147 314304332 /nfs/dbraw/zinc/30/43/32/314304332.db2.gz VQYKXKMJZIIDQK-GFCCVEGCSA-N 1 0 334.347 3.472 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3ccnc4ccccc34)C2)nc1 ZINC000539838275 314344222 /nfs/dbraw/zinc/34/42/22/314344222.db2.gz QIDMNUAFMBRKJG-OAHLLOKOSA-N 1 0 349.394 3.224 20 5 EGBDRO COc1ccc([C@@H](C)[NH2+]CCOc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC000540329918 314374847 /nfs/dbraw/zinc/37/48/47/314374847.db2.gz NGVXPKQRVBWKKN-CYBMUJFWSA-N 1 0 346.383 3.342 20 5 EGBDRO Cc1cc(N[C@H](C)COCC(F)(F)F)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000541160122 314439322 /nfs/dbraw/zinc/43/93/22/314439322.db2.gz OGGZFXCENFTPTM-SNVBAGLBSA-N 1 0 343.305 3.253 20 5 EGBDRO CC(C)n1cc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cn1 ZINC000542572654 314559406 /nfs/dbraw/zinc/55/94/06/314559406.db2.gz BLZHCUIMZORPDK-OLZOCXBDSA-N 1 0 345.403 3.050 20 5 EGBDRO O=C(CC[NH2+]CCSc1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000548825368 315052338 /nfs/dbraw/zinc/05/23/38/315052338.db2.gz FNZNHBLAZBAFCN-UHFFFAOYSA-N 1 0 345.424 3.305 20 5 EGBDRO CC[C@@H](C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000551888089 315174934 /nfs/dbraw/zinc/17/49/34/315174934.db2.gz IVBNMAMRLAXCSG-YJBOKZPZSA-N 1 0 344.411 3.118 20 5 EGBDRO CCN(CC[NH+]1CCCCCC1)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000553923956 315288991 /nfs/dbraw/zinc/28/89/91/315288991.db2.gz XEEIURRZNCJXTP-UHFFFAOYSA-N 1 0 335.448 3.301 20 5 EGBDRO COC(=O)c1ccc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000554848620 315352156 /nfs/dbraw/zinc/35/21/56/315352156.db2.gz PLIWRNDRPBQTJJ-UHFFFAOYSA-N 1 0 328.368 3.056 20 5 EGBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000560054874 315657669 /nfs/dbraw/zinc/65/76/69/315657669.db2.gz OPXFUWUWGWXPDV-OAHLLOKOSA-N 1 0 347.459 3.063 20 5 EGBDRO Cc1ccc(NC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000563370111 316009064 /nfs/dbraw/zinc/00/90/64/316009064.db2.gz QOEDRAJMNAMHMD-INIZCTEOSA-N 1 0 339.395 3.364 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CN(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000564313563 316134633 /nfs/dbraw/zinc/13/46/33/316134633.db2.gz YPZYZVXGJKYFNL-KVVHSQDJSA-N 1 0 347.459 3.041 20 5 EGBDRO CC[NH2+]CCCNc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000564643402 316180953 /nfs/dbraw/zinc/18/09/53/316180953.db2.gz KKJNFBYRMSZHPF-UHFFFAOYSA-N 1 0 327.384 3.237 20 5 EGBDRO CC(C)(C)N1CC[C@H]([NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1=O ZINC000571560814 317216797 /nfs/dbraw/zinc/21/67/97/317216797.db2.gz HGTPIVNBYINLDF-JKSUJKDBSA-N 1 0 345.443 3.306 20 5 EGBDRO COc1ccc(-c2ccc(CN3CC[C@H]([NH3+])C[C@H]3C)o2)c([N+](=O)[O-])c1 ZINC000571578018 317218711 /nfs/dbraw/zinc/21/87/11/317218711.db2.gz DCXXQXDGAUPFJW-OLZOCXBDSA-N 1 0 345.399 3.175 20 5 EGBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@H](c2ccc(F)cc2)C2CCCC2)n1 ZINC000180280605 323434182 /nfs/dbraw/zinc/43/41/82/323434182.db2.gz BZEQDFDFIFETQJ-KRWDZBQOSA-N 1 0 332.379 3.452 20 5 EGBDRO C[C@@H]([NH2+]C1CCC(O)(C(F)(F)F)CC1)c1cccc([N+](=O)[O-])c1 ZINC000396345140 324293970 /nfs/dbraw/zinc/29/39/70/324293970.db2.gz CSSPFPSQPOTDBD-PWQPVHBWSA-N 1 0 332.322 3.481 20 5 EGBDRO CC[NH+]1CCC(N[C@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)CC1 ZINC000576709401 324668461 /nfs/dbraw/zinc/66/84/61/324668461.db2.gz SBDRRXMECMMSKI-CQSZACIVSA-N 1 0 331.338 3.272 20 5 EGBDRO C[NH+](C)CCCCC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000579317439 325092050 /nfs/dbraw/zinc/09/20/50/325092050.db2.gz VQDLQHSNXISIMT-INIZCTEOSA-N 1 0 333.432 3.033 20 5 EGBDRO C[C@H](C(=O)NCC1([NH+](C)C)CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000581347253 325353099 /nfs/dbraw/zinc/35/30/99/325353099.db2.gz IWLYOQZNSDMIFS-AWEZNQCLSA-N 1 0 333.432 3.079 20 5 EGBDRO C[C@H](C(=O)Nc1ccccc1CC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000581700796 325383433 /nfs/dbraw/zinc/38/34/33/325383433.db2.gz AFEQFVINWDVXOL-AWEZNQCLSA-N 1 0 341.411 3.441 20 5 EGBDRO C[C@H](C(=O)NC1CC[NH+](C(C)(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000583117861 325496265 /nfs/dbraw/zinc/49/62/65/325496265.db2.gz DQTCIWXCBFHFDZ-ZDUSSCGKSA-N 1 0 333.432 3.077 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@H]3CCCCO3)cs2)c1 ZINC000237996433 455242582 /nfs/dbraw/zinc/24/25/82/455242582.db2.gz JKILGOZMWJBFST-OAHLLOKOSA-N 1 0 333.413 3.377 20 5 EGBDRO COc1ccccc1[C@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000157968637 455254583 /nfs/dbraw/zinc/25/45/83/455254583.db2.gz XUBCZMPNRJEGAB-HNNXBMFYSA-N 1 0 342.395 3.472 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@H]3CCC[C@@H]3CCO)cs2)c1 ZINC000189925527 455254826 /nfs/dbraw/zinc/25/48/26/455254826.db2.gz WAAITMKUZPSYRB-WBMJQRKESA-N 1 0 347.440 3.359 20 5 EGBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H](c2cccc(F)c2)C2CCCC2)c1 ZINC000180998612 455274881 /nfs/dbraw/zinc/27/48/81/455274881.db2.gz AAUHLDCKBUOOOM-QGZVFWFLSA-N 1 0 332.379 3.452 20 5 EGBDRO Cc1c(C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000012772058 453402568 /nfs/dbraw/zinc/40/25/68/453402568.db2.gz VNVPGVVHVHMSHN-KRWDZBQOSA-N 1 0 345.374 3.075 20 5 EGBDRO CC[C@@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(C)cc1 ZINC000026712690 453804213 /nfs/dbraw/zinc/80/42/13/453804213.db2.gz GEVSJNSBJNCCTL-IEBWSBKVSA-N 1 0 344.411 3.384 20 5 EGBDRO Cc1ccc(C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000032246000 453866635 /nfs/dbraw/zinc/86/66/35/453866635.db2.gz WHLMRNMBFSKYDJ-KRWDZBQOSA-N 1 0 345.374 3.075 20 5 EGBDRO CNC(=O)c1ccc(NCCCC[N@@H+]2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000053571988 453887929 /nfs/dbraw/zinc/88/79/29/453887929.db2.gz NPPHBEAXFAKPDK-CQSZACIVSA-N 1 0 348.447 3.021 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000067165020 453908299 /nfs/dbraw/zinc/90/82/99/453908299.db2.gz UFDKAGGYRIRYKT-AWEZNQCLSA-N 1 0 333.432 3.145 20 5 EGBDRO CCCC[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](C)c1ccccc1 ZINC000075674678 453916687 /nfs/dbraw/zinc/91/66/87/453916687.db2.gz UWSZSPJQANKCLU-MAUKXSAKSA-N 1 0 346.431 3.016 20 5 EGBDRO O=[N+]([O-])c1ccc(OCC[N@@H+](Cc2ccco2)C[C@H]2CCCO2)cc1 ZINC000067387566 453927584 /nfs/dbraw/zinc/92/75/84/453927584.db2.gz JXDICYNQVKWRBI-GOSISDBHSA-N 1 0 346.383 3.248 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000159582690 455387627 /nfs/dbraw/zinc/38/76/27/455387627.db2.gz IKXXQQHMMCILGW-YOEHRIQHSA-N 1 0 331.416 3.496 20 5 EGBDRO CC[N@H+](C)Cc1cccc(CNC(=O)c2cccc([N+](=O)[O-])c2C)c1 ZINC000067679542 453955799 /nfs/dbraw/zinc/95/57/99/453955799.db2.gz CSJREUOKEJJYRR-UHFFFAOYSA-N 1 0 341.411 3.285 20 5 EGBDRO COc1ccc(C[N@H+](C)CCOc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000076426285 454000047 /nfs/dbraw/zinc/00/00/47/454000047.db2.gz QGWONTDWCPHJFX-UHFFFAOYSA-N 1 0 334.347 3.253 20 5 EGBDRO CC[NH+](CC)CCN(CCC(F)(F)F)c1ccc([N+](=O)[O-])cn1 ZINC000084771286 454010032 /nfs/dbraw/zinc/01/00/32/454010032.db2.gz GMHYFFMOUVTPOO-UHFFFAOYSA-N 1 0 334.342 3.090 20 5 EGBDRO C[NH+](C)C1(CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCCC1 ZINC000043147262 454044671 /nfs/dbraw/zinc/04/46/71/454044671.db2.gz YUBVBDPIOFANQE-UHFFFAOYSA-N 1 0 340.811 3.244 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000043149319 454045246 /nfs/dbraw/zinc/04/52/46/454045246.db2.gz BGWMPXAYDPCTJX-HNNXBMFYSA-N 1 0 348.428 3.389 20 5 EGBDRO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](C)CC2)c([N+](=O)[O-])c1 ZINC000068838175 454059182 /nfs/dbraw/zinc/05/91/82/454059182.db2.gz HDZZODODTIHIJJ-CYBMUJFWSA-N 1 0 335.404 3.054 20 5 EGBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000087275687 454074735 /nfs/dbraw/zinc/07/47/35/454074735.db2.gz RAPUVDGENGXTMA-SFHVURJKSA-N 1 0 345.443 3.004 20 5 EGBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000069044833 454074772 /nfs/dbraw/zinc/07/47/72/454074772.db2.gz WERVTILDMMFKMO-GFCCVEGCSA-N 1 0 339.823 3.098 20 5 EGBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@H]1CC1CCCCC1 ZINC000159784154 455403502 /nfs/dbraw/zinc/40/35/02/455403502.db2.gz OAGPOYFLWBFBKB-INIZCTEOSA-N 1 0 333.432 3.191 20 5 EGBDRO CC(C)C[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000044898259 454125114 /nfs/dbraw/zinc/12/51/14/454125114.db2.gz WQCMAERTRVZSOP-UHFFFAOYSA-N 1 0 325.796 3.307 20 5 EGBDRO C[NH+](C)[C@H](CNc1nc2sccn2c1[N+](=O)[O-])c1cccs1 ZINC000057703934 454142172 /nfs/dbraw/zinc/14/21/72/454142172.db2.gz MINJHYUNQKAXOK-SECBINFHSA-N 1 0 337.430 3.080 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cnn(Cc3ccccc3)c2)cc1 ZINC000058093289 454163256 /nfs/dbraw/zinc/16/32/56/454163256.db2.gz DIYDFCKJNSEKAI-UHFFFAOYSA-N 1 0 336.395 3.172 20 5 EGBDRO C[NH+](C)CCCNC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000077922622 454169566 /nfs/dbraw/zinc/16/95/66/454169566.db2.gz ACNMCFWXWIFZCM-UHFFFAOYSA-N 1 0 343.383 3.069 20 5 EGBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+](C)[C@H](C)CC ZINC000131279083 454244602 /nfs/dbraw/zinc/24/46/02/454244602.db2.gz JVZKLKXVUNYMJJ-GFCCVEGCSA-N 1 0 339.461 3.167 20 5 EGBDRO Cc1cc(C(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000059890536 454263785 /nfs/dbraw/zinc/26/37/85/454263785.db2.gz CTBVRDMEXGLYPY-SCLBCKFNSA-N 1 0 333.432 3.144 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[N@@H+](Cc2ccco2)C[C@H]2CCCO2)cc1 ZINC000060039629 454267233 /nfs/dbraw/zinc/26/72/33/454267233.db2.gz MIWDIBCVTKGCBN-GOSISDBHSA-N 1 0 330.384 3.412 20 5 EGBDRO COc1cccc([C@@H](CNc2ncc([N+](=O)[O-])cc2C)[NH+](C)C)c1 ZINC000072062623 454270227 /nfs/dbraw/zinc/27/02/27/454270227.db2.gz PRLQZODNHKOTNH-MRXNPFEDSA-N 1 0 330.388 3.022 20 5 EGBDRO CC[N@H+](C)C[C@@H]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000078583456 454280966 /nfs/dbraw/zinc/28/09/66/454280966.db2.gz TUUWRUPMGKQPDM-NSHDSACASA-N 1 0 331.338 3.392 20 5 EGBDRO Cc1ccc(C(=O)NCC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000131856393 454291567 /nfs/dbraw/zinc/29/15/67/454291567.db2.gz XYZZOHIEEBYNFG-HNNXBMFYSA-N 1 0 341.411 3.292 20 5 EGBDRO CC[NH+](CC)CCCNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000072573924 454312189 /nfs/dbraw/zinc/31/21/89/454312189.db2.gz OCPIPZNSXHQNLS-UHFFFAOYSA-N 1 0 335.429 3.271 20 5 EGBDRO Cc1ccc([C@@H]2CCCC[N@@H+]2CCn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000090550548 454319918 /nfs/dbraw/zinc/31/99/18/454319918.db2.gz ORRARLGEKKQGMS-SFHVURJKSA-N 1 0 341.411 3.292 20 5 EGBDRO C[C@@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC000047119428 454331358 /nfs/dbraw/zinc/33/13/58/454331358.db2.gz ZOUBVIRYNKDYMW-RYUDHWBXSA-N 1 0 339.823 3.098 20 5 EGBDRO Cc1cccc(C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000047187763 454338026 /nfs/dbraw/zinc/33/80/26/454338026.db2.gz CDORBUFCHMJMMN-HNNXBMFYSA-N 1 0 333.432 3.288 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000063582912 454425618 /nfs/dbraw/zinc/42/56/18/454425618.db2.gz ILNGMWYCMPVOGL-ZDUSSCGKSA-N 1 0 333.432 3.144 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[NH+](CC2CCCCC2)CC1 ZINC000064129821 454466967 /nfs/dbraw/zinc/46/69/67/454466967.db2.gz CNMVFINUFGZTQO-UHFFFAOYSA-N 1 0 347.459 3.301 20 5 EGBDRO COCC[C@@H](C)[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000102426359 454505192 /nfs/dbraw/zinc/50/51/92/454505192.db2.gz LLSQHKSUBZAOBJ-GFCCVEGCSA-N 1 0 334.372 3.378 20 5 EGBDRO CCC[C@@H]([NH2+][C@H](C)[C@@H](C)N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000134149114 454508318 /nfs/dbraw/zinc/50/83/18/454508318.db2.gz DFLPXEDNJCILFP-IIDMSEBBSA-N 1 0 335.448 3.135 20 5 EGBDRO C[N@H+](CCOc1ccc(F)cc1)CCOc1ccc([N+](=O)[O-])cc1 ZINC000065209080 454537920 /nfs/dbraw/zinc/53/79/20/454537920.db2.gz VCCJKAWJPHQOMW-UHFFFAOYSA-N 1 0 334.347 3.124 20 5 EGBDRO COc1ccc(C[N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000065208719 454538267 /nfs/dbraw/zinc/53/82/67/454538267.db2.gz HVIGMPPRTNTVAD-UHFFFAOYSA-N 1 0 346.383 3.123 20 5 EGBDRO CC[N@H+](CCC(=O)OC)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000092380098 454558146 /nfs/dbraw/zinc/55/81/46/454558146.db2.gz JCNPZADZIXLRAO-UHFFFAOYSA-N 1 0 332.356 3.240 20 5 EGBDRO CS[C@H]1CCCC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000134551619 454559209 /nfs/dbraw/zinc/55/92/09/454559209.db2.gz XNXPFMFQOSGPBY-WFASDCNBSA-N 1 0 337.445 3.139 20 5 EGBDRO O=[N+]([O-])c1cc(C[NH2+]CCOc2ncccc2C(F)(F)F)cs1 ZINC000122887833 454578190 /nfs/dbraw/zinc/57/81/90/454578190.db2.gz WIGYRMAGFAWCRD-UHFFFAOYSA-N 1 0 347.318 3.239 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134863069 454599563 /nfs/dbraw/zinc/59/95/63/454599563.db2.gz OCWITYOQGKNKHN-KDOFPFPSSA-N 1 0 345.443 3.052 20 5 EGBDRO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000051050847 454606760 /nfs/dbraw/zinc/60/67/60/454606760.db2.gz NPECKJWZBVVWIM-DOTOQJQBSA-N 1 0 347.459 3.154 20 5 EGBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(-n2cncn2)cc1 ZINC000123308802 454623179 /nfs/dbraw/zinc/62/31/79/454623179.db2.gz YVWJLUQLENYZEE-AWEZNQCLSA-N 1 0 337.383 3.069 20 5 EGBDRO COc1ccc(C[N@H+](C)CCOc2ccccc2F)cc1[N+](=O)[O-] ZINC000051500674 454628118 /nfs/dbraw/zinc/62/81/18/454628118.db2.gz XPOZRECZRJIMIU-UHFFFAOYSA-N 1 0 334.347 3.253 20 5 EGBDRO Cc1cc(N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000074764678 454631206 /nfs/dbraw/zinc/63/12/06/454631206.db2.gz CKQVAKCOOANRRD-HNNXBMFYSA-N 1 0 326.400 3.009 20 5 EGBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000066137254 454659336 /nfs/dbraw/zinc/65/93/36/454659336.db2.gz VBSXSGCTZIYBMP-LLVKDONJSA-N 1 0 335.429 3.270 20 5 EGBDRO C[NH+](C)CCOc1ccc(CNc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000052408117 454671460 /nfs/dbraw/zinc/67/14/60/454671460.db2.gz LQROVINEZYWMOL-UHFFFAOYSA-N 1 0 333.363 3.286 20 5 EGBDRO COC(=O)CCC1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000093341438 454703609 /nfs/dbraw/zinc/70/36/09/454703609.db2.gz ZNQIOWWFTDFGEA-GQCTYLIASA-N 1 0 332.400 3.273 20 5 EGBDRO CC[C@H](CCO)C[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000152659940 454708252 /nfs/dbraw/zinc/70/82/52/454708252.db2.gz HDEXUGVGTKFMHP-CYBMUJFWSA-N 1 0 348.399 3.362 20 5 EGBDRO Cc1c(CC(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000161750756 454720625 /nfs/dbraw/zinc/72/06/25/454720625.db2.gz KTHAIPMZUPPXEQ-OAHLLOKOSA-N 1 0 347.459 3.074 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C/CN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000093683440 454728350 /nfs/dbraw/zinc/72/83/50/454728350.db2.gz XFSDLNDYMANMIW-DBWMJRBXSA-N 1 0 329.444 3.416 20 5 EGBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000152877126 454736551 /nfs/dbraw/zinc/73/65/51/454736551.db2.gz PLKRFISQDATAGY-WBVHZDCISA-N 1 0 347.459 3.358 20 5 EGBDRO CCN(C[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)CC(F)(F)F ZINC000176412102 454740718 /nfs/dbraw/zinc/74/07/18/454740718.db2.gz SUYBRVANGAQRTM-CQSZACIVSA-N 1 0 345.365 3.301 20 5 EGBDRO CCOc1ccc([C@@H](C)NC[C@@H](C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000153037672 454754922 /nfs/dbraw/zinc/75/49/22/454754922.db2.gz DFNVFSLILITDQQ-HUUCEWRRSA-N 1 0 335.448 3.376 20 5 EGBDRO CC[NH+]1CCC(N(C)Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000125289699 454811765 /nfs/dbraw/zinc/81/17/65/454811765.db2.gz RAUQPBARKWSORD-UHFFFAOYSA-N 1 0 343.374 3.112 20 5 EGBDRO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000144760737 454850406 /nfs/dbraw/zinc/85/04/06/454850406.db2.gz MISMKMAVYPCVOG-GOEBONIOSA-N 1 0 333.432 3.112 20 5 EGBDRO Cc1cc2ncc([C@@H](C)[NH2+]Cc3ccc([N+](=O)[O-])cc3)c(C)n2n1 ZINC000126051888 454867229 /nfs/dbraw/zinc/86/72/29/454867229.db2.gz JBJNNXBCNHWVFV-GFCCVEGCSA-N 1 0 325.372 3.105 20 5 EGBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000177643305 454887100 /nfs/dbraw/zinc/88/71/00/454887100.db2.gz PQKARZKYYLXBCJ-GFCCVEGCSA-N 1 0 339.823 3.052 20 5 EGBDRO CC(C)(C)[S@@](=O)CC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000127223599 454947045 /nfs/dbraw/zinc/94/70/45/454947045.db2.gz MAXOYDFTJMWPFU-NPMXOYFQSA-N 1 0 338.473 3.053 20 5 EGBDRO C[C@@H]([NH2+]CC1(N2CCOCC2)CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000154961707 454948019 /nfs/dbraw/zinc/94/80/19/454948019.db2.gz DKVCLMQGVCWLEI-MRXNPFEDSA-N 1 0 347.459 3.281 20 5 EGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000151391787 454978987 /nfs/dbraw/zinc/97/89/87/454978987.db2.gz TVMQWSBJQQOWCP-HIFRSBDPSA-N 1 0 342.848 3.393 20 5 EGBDRO C[C@@H](c1ccccn1)N(C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000128031763 455019888 /nfs/dbraw/zinc/01/98/88/455019888.db2.gz DPXZTBJDAODDEV-LBPRGKRZSA-N 1 0 329.356 3.049 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2noc(C[NH+](CC3CC3)CC3CC3)n2)c1 ZINC000115564446 455021195 /nfs/dbraw/zinc/02/11/95/455021195.db2.gz MLULZUHPLVXODQ-UHFFFAOYSA-N 1 0 328.372 3.267 20 5 EGBDRO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000151880638 455043558 /nfs/dbraw/zinc/04/35/58/455043558.db2.gz WUALEQXKKOTVLT-HOCLYGCPSA-N 1 0 346.383 3.155 20 5 EGBDRO C[C@H]([NH2+][C@H]1CCCN(c2ccccc2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000172029426 455110534 /nfs/dbraw/zinc/11/05/34/455110534.db2.gz CINQMIFRMFPRBD-KSSFIOAISA-N 1 0 339.395 3.441 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCN(C)CC(F)(F)F ZINC000156383231 455112310 /nfs/dbraw/zinc/11/23/10/455112310.db2.gz SVDMQWXMNVJKLH-GFCCVEGCSA-N 1 0 333.354 3.438 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1[C@H](C)C[C@H]2CCCC[C@@H]21 ZINC000118850508 455115483 /nfs/dbraw/zinc/11/54/83/455115483.db2.gz ZUTWOJZLNAXEMK-IOASZLSFSA-N 1 0 347.415 3.195 20 5 EGBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2C[C@@H]3CCCC[C@@]32c2ccccc2)n1 ZINC000152508213 455129339 /nfs/dbraw/zinc/12/93/39/455129339.db2.gz SNMUTGRGIQEPHW-FUHWJXTLSA-N 1 0 326.400 3.193 20 5 EGBDRO CCCC[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1SCC ZINC000156577298 455134724 /nfs/dbraw/zinc/13/47/24/455134724.db2.gz KYNNTEMBQBPIKR-UHFFFAOYSA-N 1 0 339.461 3.169 20 5 EGBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H](O)c2ccccc2)cc1[N+](=O)[O-] ZINC000152567088 455137415 /nfs/dbraw/zinc/13/74/15/455137415.db2.gz DVTHOMVMNFZWPR-DYVFJYSZSA-N 1 0 330.384 3.378 20 5 EGBDRO COc1cc(C[N@@H+]2CC[C@H](C)[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000180254496 455152117 /nfs/dbraw/zinc/15/21/17/455152117.db2.gz BESCBFXTBWHFRN-WDEREUQCSA-N 1 0 344.358 3.478 20 5 EGBDRO C[NH2+]Cc1cccc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)c1 ZINC000237296010 455169448 /nfs/dbraw/zinc/16/94/48/455169448.db2.gz YVZZNRYPUJLJES-UHFFFAOYSA-N 1 0 340.383 3.141 20 5 EGBDRO CN(Cc1ccccc1[N+](=O)[O-])C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000172748932 455181567 /nfs/dbraw/zinc/18/15/67/455181567.db2.gz PMTWNNUXNANPBV-INIZCTEOSA-N 1 0 341.367 3.052 20 5 EGBDRO CC[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)CC[C@H]1c1ccccc1 ZINC000245410796 455290860 /nfs/dbraw/zinc/29/08/60/455290860.db2.gz SVHGWAAYGGCZOB-MAUKXSAKSA-N 1 0 328.416 3.307 20 5 EGBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H](CC(F)(F)F)c2ccc(F)cc2)c1 ZINC000180548933 455194424 /nfs/dbraw/zinc/19/44/24/455194424.db2.gz RIFBTPGBPHILAX-ZDUSSCGKSA-N 1 0 346.284 3.214 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000182982587 455203895 /nfs/dbraw/zinc/20/38/95/455203895.db2.gz LYMIYBHRRFDVDU-AWEZNQCLSA-N 1 0 334.420 3.289 20 5 EGBDRO CC[C@@](C)(NCC(=O)Nc1ccc([N+](=O)[O-])cc1C)c1nccs1 ZINC000173495986 455294151 /nfs/dbraw/zinc/29/41/51/455294151.db2.gz SZMZWYBPADATJZ-MRXNPFEDSA-N 1 0 348.428 3.213 20 5 EGBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000184685705 455428408 /nfs/dbraw/zinc/42/84/08/455428408.db2.gz PNTRRAUTJKTRFK-RDJZCZTQSA-N 1 0 347.459 3.154 20 5 EGBDRO COc1ccc(OCC[N@@H+]2CCC[C@@H]2c2cccn2C)c([N+](=O)[O-])c1 ZINC000175492907 455453774 /nfs/dbraw/zinc/45/37/74/455453774.db2.gz XCAFBOXENKNMNQ-MRXNPFEDSA-N 1 0 345.399 3.158 20 5 EGBDRO CC[NH+](CC)C[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000182201229 455459324 /nfs/dbraw/zinc/45/93/24/455459324.db2.gz CEYYWGZQIBFBBE-CYBMUJFWSA-N 1 0 325.840 3.412 20 5 EGBDRO Cc1cnc([C@@H](C)[NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)s1 ZINC000185031693 455488449 /nfs/dbraw/zinc/48/84/49/455488449.db2.gz QUFPCARRDJHYGT-GFCCVEGCSA-N 1 0 348.428 3.348 20 5 EGBDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000175729749 455488462 /nfs/dbraw/zinc/48/84/62/455488462.db2.gz RXZIOCLGXWBFOG-GFCCVEGCSA-N 1 0 341.839 3.489 20 5 EGBDRO COc1ccc(NC(=O)CC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000182404608 455506948 /nfs/dbraw/zinc/50/69/48/455506948.db2.gz LMMUFEVTRNKMSV-ZDUSSCGKSA-N 1 0 343.383 3.283 20 5 EGBDRO Cc1ccc(C(=O)NC2CC[NH+](C3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000267147056 455507613 /nfs/dbraw/zinc/50/76/13/455507613.db2.gz KTDUTKISDDABII-UHFFFAOYSA-N 1 0 331.416 3.040 20 5 EGBDRO COc1cccc(NC2CC[NH+](Cc3ccccn3)CC2)c1[N+](=O)[O-] ZINC000185197035 455519587 /nfs/dbraw/zinc/51/95/87/455519587.db2.gz PEAGKGOVVXOWHL-UHFFFAOYSA-N 1 0 342.399 3.075 20 5 EGBDRO CCn1cnnc1[C@H]1CCC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000161293859 455556305 /nfs/dbraw/zinc/55/63/05/455556305.db2.gz CYYWEMGIFKEZES-ZFWWWQNUSA-N 1 0 329.404 3.147 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCS[C@@H](C)CC1 ZINC000192183688 455569448 /nfs/dbraw/zinc/56/94/48/455569448.db2.gz BYIZIFWSVNNXHE-ZDUSSCGKSA-N 1 0 337.445 3.059 20 5 EGBDRO CC(=O)c1ccc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000292283244 455617542 /nfs/dbraw/zinc/61/75/42/455617542.db2.gz MLZHFCRIPYSCDY-ZDUSSCGKSA-N 1 0 331.416 3.108 20 5 EGBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1c1ncc([N+](=O)[O-])s1 ZINC000192462551 455622542 /nfs/dbraw/zinc/62/25/42/455622542.db2.gz SFFGCQZEUYBDEM-CYBMUJFWSA-N 1 0 332.429 3.152 20 5 EGBDRO CC(C)[C@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CCO1 ZINC000271452773 455642789 /nfs/dbraw/zinc/64/27/89/455642789.db2.gz FBSIVBOQCGVVFL-IUODEOHRSA-N 1 0 344.358 3.489 20 5 EGBDRO CC[C@H]1CC[C@H](C)[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000271510208 455664984 /nfs/dbraw/zinc/66/49/84/455664984.db2.gz KBMLVPHQOOPMSG-STQMWFEESA-N 1 0 335.404 3.195 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@H](O)c1cccc(F)c1)CCC2 ZINC000192745120 455684581 /nfs/dbraw/zinc/68/45/81/455684581.db2.gz DQYSTEFIPDVDLF-ROUUACIJSA-N 1 0 330.359 3.435 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000192799745 455696396 /nfs/dbraw/zinc/69/63/96/455696396.db2.gz OXFRBJUZKSQTAM-XJKSGUPXSA-N 1 0 349.431 3.443 20 5 EGBDRO COc1ccc(F)cc1[C@H](C)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000271641529 455709259 /nfs/dbraw/zinc/70/92/59/455709259.db2.gz HACBFANUVBTYET-ZBEGNZNMSA-N 1 0 334.347 3.127 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)n1 ZINC000268828541 455716019 /nfs/dbraw/zinc/71/60/19/455716019.db2.gz RQRRRVVNGCBZML-INIZCTEOSA-N 1 0 332.448 3.247 20 5 EGBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)CC(=O)N2C ZINC000268921153 455731004 /nfs/dbraw/zinc/73/10/04/455731004.db2.gz QGACADOHNUUPHJ-CYBMUJFWSA-N 1 0 339.395 3.007 20 5 EGBDRO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000278024901 455736532 /nfs/dbraw/zinc/73/65/32/455736532.db2.gz WQUSDWKFWJDGPB-HIFRSBDPSA-N 1 0 349.431 3.330 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H]1CCCO[C@H]1CC(C)C ZINC000186309291 455740293 /nfs/dbraw/zinc/74/02/93/455740293.db2.gz MBSVQTUIPUORTN-WBVHZDCISA-N 1 0 349.431 3.025 20 5 EGBDRO C[N@H+](CCCNC(=O)NCc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000193391059 455757842 /nfs/dbraw/zinc/75/78/42/455757842.db2.gz GMNSWGULNFYHGG-UHFFFAOYSA-N 1 0 348.447 3.049 20 5 EGBDRO COC(=O)N1CCC([C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000186385182 455757984 /nfs/dbraw/zinc/75/79/84/455757984.db2.gz FWLUJUWFIPFTMJ-OLZOCXBDSA-N 1 0 335.404 3.112 20 5 EGBDRO CCC[N@H+](C)C[C@H]1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000278198848 455784774 /nfs/dbraw/zinc/78/47/74/455784774.db2.gz DXWICYZBQQSICI-LLVKDONJSA-N 1 0 346.353 3.177 20 5 EGBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)CCc1ccccc1[N+](=O)[O-] ZINC000285242784 455811867 /nfs/dbraw/zinc/81/18/67/455811867.db2.gz GSLUZKXRUCSLNV-UHFFFAOYSA-N 1 0 329.356 3.220 20 5 EGBDRO O=[N+]([O-])c1cc(F)c(CN2CCC(O)(c3ccccc3)CC2)c(F)c1 ZINC000285576704 455873490 /nfs/dbraw/zinc/87/34/90/455873490.db2.gz KAUZOPLFHREXSE-UHFFFAOYSA-N 1 0 348.349 3.357 20 5 EGBDRO O=C(CC[N@H+]1CC=C(C(F)(F)F)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000270311325 455926524 /nfs/dbraw/zinc/92/65/24/455926524.db2.gz PURZJEVODMVTHQ-UHFFFAOYSA-N 1 0 343.305 3.118 20 5 EGBDRO COc1cc(C[NH2+]CCC2CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272381460 455932599 /nfs/dbraw/zinc/93/25/99/455932599.db2.gz HTOLOMJUOQUSPS-UHFFFAOYSA-N 1 0 330.331 3.137 20 5 EGBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000286043230 455966348 /nfs/dbraw/zinc/96/63/48/455966348.db2.gz AHCCCBBGOBSANQ-RDTXWAMCSA-N 1 0 343.427 3.251 20 5 EGBDRO CCOC[C@@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C(C)C ZINC000286083280 455974755 /nfs/dbraw/zinc/97/47/55/455974755.db2.gz KEZJNYRTBQCIBX-MRXNPFEDSA-N 1 0 347.415 3.443 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CCCC[C@H](C)C1 ZINC000187990365 455976431 /nfs/dbraw/zinc/97/64/31/455976431.db2.gz MDVZFRLWKKSPHU-STQMWFEESA-N 1 0 335.404 3.052 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+]C2CCN(CCC(F)(F)F)CC2)cc1 ZINC000272529053 455984181 /nfs/dbraw/zinc/98/41/81/455984181.db2.gz IWIXLRYENOSXOH-UHFFFAOYSA-N 1 0 331.338 3.101 20 5 EGBDRO CC[C@@H]1CCC[C@H]1[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000286148668 455988191 /nfs/dbraw/zinc/98/81/91/455988191.db2.gz NLAZQSYYXLFFHB-TZMCWYRMSA-N 1 0 335.404 3.100 20 5 EGBDRO C[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)N1[C@H](C)CCC[C@H]1C ZINC000296676936 456008150 /nfs/dbraw/zinc/00/81/50/456008150.db2.gz HSADZQDVFGWKFV-KBXIAJHMSA-N 1 0 333.432 3.423 20 5 EGBDRO CC[C@@H]1CO[C@H](C)CN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000270672403 456011743 /nfs/dbraw/zinc/01/17/43/456011743.db2.gz XKXAXICKJXKUBN-IUODEOHRSA-N 1 0 331.372 3.249 20 5 EGBDRO Cc1ccc([C@@H](C)NC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])cc1[N+](=O)[O-] ZINC000262356142 456028596 /nfs/dbraw/zinc/02/85/96/456028596.db2.gz UZRNLRHRZJENRS-AMIDZSMDSA-N 1 0 345.443 3.234 20 5 EGBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCCCCC[NH+]1CCCC1 ZINC000296894323 456062457 /nfs/dbraw/zinc/06/24/57/456062457.db2.gz MOFWVYRVVPDLGA-UHFFFAOYSA-N 1 0 348.447 3.002 20 5 EGBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000270915720 456066232 /nfs/dbraw/zinc/06/62/32/456066232.db2.gz JCNKDOFYKABWIK-NSHDSACASA-N 1 0 339.823 3.051 20 5 EGBDRO Cc1cc(N(C)CCCn2ccnc2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272821001 456080061 /nfs/dbraw/zinc/08/00/61/456080061.db2.gz IWEJRTFRKKRARL-UHFFFAOYSA-N 1 0 325.372 3.174 20 5 EGBDRO Cc1cc(NC(=O)NC2CC[NH+](C3CCC3)CC2)ccc1[N+](=O)[O-] ZINC000297022415 456094440 /nfs/dbraw/zinc/09/44/40/456094440.db2.gz VHPBBAVQXOWCPF-UHFFFAOYSA-N 1 0 332.404 3.042 20 5 EGBDRO Cc1cc(N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000301435348 456114879 /nfs/dbraw/zinc/11/48/79/456114879.db2.gz RHEBXUNIPSPDMB-MRXNPFEDSA-N 1 0 326.400 3.375 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000188835456 456147460 /nfs/dbraw/zinc/14/74/60/456147460.db2.gz PMVGIJBTDWKVTG-UHFFFAOYSA-N 1 0 346.431 3.385 20 5 EGBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CN(C3CC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000271203326 456171508 /nfs/dbraw/zinc/17/15/08/456171508.db2.gz ZSHAHOBOKOVLOT-WWGRRREGSA-N 1 0 333.432 3.127 20 5 EGBDRO CC[N@@H+]1CCCC[C@@H]1CNc1ncc(Br)cc1[N+](=O)[O-] ZINC000301670377 456179837 /nfs/dbraw/zinc/17/98/37/456179837.db2.gz FCGUJBXRIWMIAH-LLVKDONJSA-N 1 0 343.225 3.039 20 5 EGBDRO C[N@@H+]1CCC[C@@H]2CN(c3ccnc4ccc([N+](=O)[O-])cc43)CC[C@H]21 ZINC000601130626 460722535 /nfs/dbraw/zinc/72/25/35/460722535.db2.gz NDQHDBLGZCGAPN-CXAGYDPISA-N 1 0 326.400 3.064 20 5 EGBDRO C[N@@H+]1CCC[C@H]2CN(c3nccc4cc([N+](=O)[O-])ccc43)CC[C@@H]21 ZINC000297405549 456212588 /nfs/dbraw/zinc/21/25/88/456212588.db2.gz GBMKDRLQJFUDSX-YOEHRIQHSA-N 1 0 326.400 3.064 20 5 EGBDRO CCCCOCCC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000263756882 456213149 /nfs/dbraw/zinc/21/31/49/456213149.db2.gz AIJSCJILDHHPSI-UHFFFAOYSA-N 1 0 346.431 3.292 20 5 EGBDRO Cc1ccc(CN[C@H](C[NH+](C)C)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000290126412 456246871 /nfs/dbraw/zinc/24/68/71/456246871.db2.gz MOQZFLAERQFXLN-QGZVFWFLSA-N 1 0 331.391 3.435 20 5 EGBDRO CC[C@H]1CCCC[N@@H+]1CCNc1cc(OC)c([N+](=O)[O-])cc1F ZINC000301916815 456250777 /nfs/dbraw/zinc/25/07/77/456250777.db2.gz HFJNNZZYANPNNC-LBPRGKRZSA-N 1 0 325.384 3.419 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2COc3ccccc3[C@@H]2O)cc1[N+](=O)[O-] ZINC000290211327 456267971 /nfs/dbraw/zinc/26/79/71/456267971.db2.gz HHEGBGGCVXQLEG-PNPHSEOMSA-N 1 0 328.368 3.048 20 5 EGBDRO C[C@H]1C[C@@H](NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000334042731 456290013 /nfs/dbraw/zinc/29/00/13/456290013.db2.gz XAPBBMKMAJDWAR-JSGCOSHPSA-N 1 0 333.432 3.105 20 5 EGBDRO COC(=O)CC1([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCC1 ZINC000347664378 456291483 /nfs/dbraw/zinc/29/14/83/456291483.db2.gz PPPIDVROTJBEAJ-UHFFFAOYSA-N 1 0 344.367 3.430 20 5 EGBDRO CC[C@H](C)[NH+]1CCN(C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)CC1 ZINC000297789203 456295624 /nfs/dbraw/zinc/29/56/24/456295624.db2.gz MOMJLSGJFKPIMA-AWEZNQCLSA-N 1 0 334.420 3.160 20 5 EGBDRO Cc1cc([N+](=O)[O-])cnc1N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000302152974 456300984 /nfs/dbraw/zinc/30/09/84/456300984.db2.gz CLHAYQRECCZDNB-RHSMWYFYSA-N 1 0 326.400 3.231 20 5 EGBDRO C[C@H]([NH2+][C@H]1CSC[C@H]1C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000352799282 456318241 /nfs/dbraw/zinc/31/82/41/456318241.db2.gz MFPMDCPHMFOEBZ-NRUUGDAUSA-N 1 0 334.401 3.047 20 5 EGBDRO C[C@H]([NH2+]CC(=O)N(C)Cc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000298134445 456372875 /nfs/dbraw/zinc/37/28/75/456372875.db2.gz LDJKGYXGSDFTLR-ZDUSSCGKSA-N 1 0 345.374 3.043 20 5 EGBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1cc(N)ccc1[N+](=O)[O-] ZINC000282151384 456427355 /nfs/dbraw/zinc/42/73/55/456427355.db2.gz FRMOWOXCDBPBOV-PBHICJAKSA-N 1 0 340.427 3.500 20 5 EGBDRO O=[N+]([O-])c1cnn(CC[N@H+]2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)c1 ZINC000282368414 456492371 /nfs/dbraw/zinc/49/23/71/456492371.db2.gz DXUCGEAZIHRCCT-BJWYYQGGSA-N 1 0 326.400 3.202 20 5 EGBDRO CC(C)(CCc1noc(-c2ccc(C[NH+]3CCCC3)cc2)n1)[N+](=O)[O-] ZINC000291013950 456495851 /nfs/dbraw/zinc/49/58/51/456495851.db2.gz BKLNDZPWIODIHY-UHFFFAOYSA-N 1 0 344.415 3.320 20 5 EGBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cccc(-n2ccnn2)c1 ZINC000348120198 456496646 /nfs/dbraw/zinc/49/66/46/456496646.db2.gz OXRPMOGZIKHZDF-CQSZACIVSA-N 1 0 337.383 3.069 20 5 EGBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cccc(-n2ccnn2)c1 ZINC000348120193 456497117 /nfs/dbraw/zinc/49/71/17/456497117.db2.gz OXRPMOGZIKHZDF-AWEZNQCLSA-N 1 0 337.383 3.069 20 5 EGBDRO COc1cc(C(=O)Nc2ccc(C[NH+](C)C)cc2)cc([N+](=O)[O-])c1C ZINC000276513976 456503994 /nfs/dbraw/zinc/50/39/94/456503994.db2.gz DNCAKKUMHJWAQN-UHFFFAOYSA-N 1 0 343.383 3.226 20 5 EGBDRO O=C(CN1CCC[C@@H]1c1ccc[nH]1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000298759038 456533354 /nfs/dbraw/zinc/53/33/54/456533354.db2.gz JUEWPHAJEZCAIF-CQSZACIVSA-N 1 0 348.790 3.352 20 5 EGBDRO CC(C)(C[NH+]1CCCC1)Nc1ncc([N+](=O)[O-])cc1Br ZINC000308656525 456571953 /nfs/dbraw/zinc/57/19/53/456571953.db2.gz CWLMZHBIJXNOKW-UHFFFAOYSA-N 1 0 343.225 3.039 20 5 EGBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)C[NH+]1CCCCC1 ZINC000298941789 456572558 /nfs/dbraw/zinc/57/25/58/456572558.db2.gz JJGRUWARSLZVIW-GFCCVEGCSA-N 1 0 339.823 3.100 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1ccc2n[nH]cc2c1 ZINC000353281877 456608513 /nfs/dbraw/zinc/60/85/13/456608513.db2.gz DDYZFDMJNAARRZ-NSHDSACASA-N 1 0 326.356 3.331 20 5 EGBDRO Cc1nc(NCC[C@@H](C)[N@H+](C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000348346714 456639852 /nfs/dbraw/zinc/63/98/52/456639852.db2.gz GSTWZUGCLILPJT-CQSZACIVSA-N 1 0 328.416 3.043 20 5 EGBDRO Cc1c(C(=O)N(CC[NH+](C)C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000299377092 456674291 /nfs/dbraw/zinc/67/42/91/456674291.db2.gz GAGWZIWLKBEJHT-UHFFFAOYSA-N 1 0 327.384 3.112 20 5 EGBDRO Cc1c(C(=O)N[C@H](CCC[NH3+])c2ccccc2)cccc1[N+](=O)[O-] ZINC000326808150 456699809 /nfs/dbraw/zinc/69/98/09/456699809.db2.gz CRXFQFOFWYGUDD-MRXNPFEDSA-N 1 0 327.384 3.113 20 5 EGBDRO CCS[C@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000348467194 456700472 /nfs/dbraw/zinc/70/04/72/456700472.db2.gz HKJNJRITVMTXCA-ZFWWWQNUSA-N 1 0 337.445 3.106 20 5 EGBDRO O=C(CC[N@@H+]1CCC[C@H]1c1ccc[nH]1)Nc1ccccc1[N+](=O)[O-] ZINC000283279112 456749579 /nfs/dbraw/zinc/74/95/79/456749579.db2.gz LXDRYZKTNDEXFZ-HNNXBMFYSA-N 1 0 328.372 3.089 20 5 EGBDRO Cc1cc(NC(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000338352301 456782928 /nfs/dbraw/zinc/78/29/28/456782928.db2.gz GMQUZKCKSIUPDJ-TZMCWYRMSA-N 1 0 334.420 3.145 20 5 EGBDRO CC[N@H+](C)Cc1cccc(CNc2nc3sccn3c2[N+](=O)[O-])c1 ZINC000301086630 456792375 /nfs/dbraw/zinc/79/23/75/456792375.db2.gz DSQIQEPPNARUPE-UHFFFAOYSA-N 1 0 345.428 3.368 20 5 EGBDRO Cc1cc([N+](=O)[O-])cnc1NCCC[N@@H+]1CCc2ccccc2C1 ZINC000301171662 456813212 /nfs/dbraw/zinc/81/32/12/456813212.db2.gz DXADVCYJJTUHIQ-UHFFFAOYSA-N 1 0 326.400 3.159 20 5 EGBDRO COCCOc1ccccc1C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000348678641 456813385 /nfs/dbraw/zinc/81/33/85/456813385.db2.gz XSHSJQJTZPGKLS-UHFFFAOYSA-N 1 0 344.411 3.295 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3cccc4cc[nH]c43)C2)nc1 ZINC000353717327 456869887 /nfs/dbraw/zinc/86/98/87/456869887.db2.gz MQLRIWYSMXKDRU-HNNXBMFYSA-N 1 0 337.383 3.158 20 5 EGBDRO C[C@@H]([NH2+]Cc1cc([O-])ccc1[N+](=O)[O-])[C@@H]1OCCc2sccc21 ZINC000339215333 456996046 /nfs/dbraw/zinc/99/60/46/456996046.db2.gz UYZKPVHMBVWESD-HWPZZCPQSA-N 1 0 334.397 3.154 20 5 EGBDRO C/C=C\C[C@H](CO)[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000349820316 457066614 /nfs/dbraw/zinc/06/66/14/457066614.db2.gz FNNBVDVZWYVWLM-DHCBQETCSA-N 1 0 346.383 3.280 20 5 EGBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000342041135 457074856 /nfs/dbraw/zinc/07/48/56/457074856.db2.gz CCFJBRIBGJKJBX-LBPRGKRZSA-N 1 0 349.456 3.062 20 5 EGBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000356599193 457076681 /nfs/dbraw/zinc/07/66/81/457076681.db2.gz OVIJXUNTYPSRJB-ZDUSSCGKSA-N 1 0 348.447 3.019 20 5 EGBDRO CCc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](CC)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000349886510 457094719 /nfs/dbraw/zinc/09/47/19/457094719.db2.gz WXPVXMMTARWQCW-CJNGLKHVSA-N 1 0 333.432 3.102 20 5 EGBDRO CC[C@H](NC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000331312110 457164682 /nfs/dbraw/zinc/16/46/82/457164682.db2.gz CCQDUFKCLJRGID-WVZRYYJFSA-N 1 0 333.432 3.423 20 5 EGBDRO C[N@H+](CCc1ccc2c(c1)OCCO2)Cc1ccccc1[N+](=O)[O-] ZINC000360009967 457200640 /nfs/dbraw/zinc/20/06/40/457200640.db2.gz KBYBAZGFGNKCTF-UHFFFAOYSA-N 1 0 328.368 3.041 20 5 EGBDRO C[NH2+]C[C@H]1CCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000347049097 457204077 /nfs/dbraw/zinc/20/40/77/457204077.db2.gz PZDPVAWNIPHKMH-CQSZACIVSA-N 1 0 329.400 3.286 20 5 EGBDRO Cc1cc(NCC[N@@H+]2CCCOCC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000360048874 457224315 /nfs/dbraw/zinc/22/43/15/457224315.db2.gz ZIWCCHVDHNCBSO-UHFFFAOYSA-N 1 0 347.337 3.056 20 5 EGBDRO Cc1nc(C)n(C[C@@H]2CCC[N@@H+]([C@@H](C)c3ccccc3[N+](=O)[O-])C2)n1 ZINC000331722391 457238297 /nfs/dbraw/zinc/23/82/97/457238297.db2.gz KFFLKFVHJQHAAI-XJKSGUPXSA-N 1 0 343.431 3.276 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(CN(C3CC3)[C@@H]3CC[NH2+]C3)o2)cc1 ZINC000347164773 457265078 /nfs/dbraw/zinc/26/50/78/457265078.db2.gz JHZHGISGCZKTOF-MRXNPFEDSA-N 1 0 327.384 3.181 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@@H](C)C1CCC1 ZINC000357031437 457287048 /nfs/dbraw/zinc/28/70/48/457287048.db2.gz FZIXKVBIEHKXFQ-LBPRGKRZSA-N 1 0 335.404 3.052 20 5 EGBDRO CCS(=O)(=O)c1cccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000354860313 457325320 /nfs/dbraw/zinc/32/53/20/457325320.db2.gz PUMODJXZMDINCH-ZDUSSCGKSA-N 1 0 348.424 3.239 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(c2nncn2C)CC1 ZINC000347356158 457371308 /nfs/dbraw/zinc/37/13/08/457371308.db2.gz ISHSTYYZVGMALQ-GXDHUFHOSA-N 1 0 341.415 3.006 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(O[C@H]2CCOC2)CC1 ZINC000347367884 457378793 /nfs/dbraw/zinc/37/87/93/457378793.db2.gz NDDGUVKKIQWJOK-LSSBLYJVSA-N 1 0 346.427 3.268 20 5 EGBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000360847615 457383215 /nfs/dbraw/zinc/38/32/15/457383215.db2.gz FZURPMQXEDQIKQ-AWEZNQCLSA-N 1 0 347.419 3.352 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(NC[C@H]2CCC[N@@H+]2Cc2ccccc2)n1 ZINC000360873001 457397922 /nfs/dbraw/zinc/39/79/22/457397922.db2.gz POAMSATUVGSVGY-MRXNPFEDSA-N 1 0 326.400 3.375 20 5 EGBDRO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)[NH+](C)C ZINC000347405642 457405463 /nfs/dbraw/zinc/40/54/63/457405463.db2.gz ADTMTGQPTRHRCA-LBPRGKRZSA-N 1 0 339.461 3.167 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000360884515 457407089 /nfs/dbraw/zinc/40/70/89/457407089.db2.gz RTLVQTJKWGTWAQ-KRWDZBQOSA-N 1 0 340.427 3.399 20 5 EGBDRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000342621783 457409663 /nfs/dbraw/zinc/40/96/63/457409663.db2.gz RKJXRFDHDKKBCT-CQSZACIVSA-N 1 0 342.399 3.237 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CC[C@H](c4ccco4)C3)n2)c1 ZINC000374003443 457434814 /nfs/dbraw/zinc/43/48/14/457434814.db2.gz PVNWMKOOMVSVJL-ZDUSSCGKSA-N 1 0 340.339 3.227 20 5 EGBDRO Cc1cc(N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)ncc1[N+](=O)[O-] ZINC000425279891 457480754 /nfs/dbraw/zinc/48/07/54/457480754.db2.gz WFPAXKMYRVKFGD-FUHWJXTLSA-N 1 0 338.411 3.009 20 5 EGBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000361012663 457511740 /nfs/dbraw/zinc/51/17/40/457511740.db2.gz GWSAJEODXMYOQM-BBRMVZONSA-N 1 0 343.431 3.052 20 5 EGBDRO CCCN(CC[NH+]1CCCCC1)C(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000342775788 457516917 /nfs/dbraw/zinc/51/69/17/457516917.db2.gz AIUGNULUOYGXRJ-UHFFFAOYSA-N 1 0 333.432 3.241 20 5 EGBDRO CC[C@H]1CC[C@@H](C)[N@@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000357554866 457594253 /nfs/dbraw/zinc/59/42/53/457594253.db2.gz SUNYATUXUISUHB-OLZOCXBDSA-N 1 0 333.388 3.156 20 5 EGBDRO CCc1cnccc1[C@H](C)[NH2+][C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000361134303 457603701 /nfs/dbraw/zinc/60/37/01/457603701.db2.gz DLTXVAMQVVMZHO-QWHCGFSZSA-N 1 0 342.399 3.230 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3CCc4c[nH]nc4C3)o2)cc1 ZINC000374541288 457652101 /nfs/dbraw/zinc/65/21/01/457652101.db2.gz LHCSDOXAXDKIRS-CQSZACIVSA-N 1 0 338.367 3.225 20 5 EGBDRO CC1(C)C[C@H]([NH2+]CCCOC[C@H]2CCCO2)c2cc([N+](=O)[O-])ccc21 ZINC000433165550 457767314 /nfs/dbraw/zinc/76/73/14/457767314.db2.gz CHBLWPULTJONSR-QAPCUYQASA-N 1 0 348.443 3.493 20 5 EGBDRO CC(=O)Nc1ccc(C[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)cn1 ZINC000433203854 457778486 /nfs/dbraw/zinc/77/84/86/457778486.db2.gz DBRDVEQDYKYBHV-JYRVWZFOSA-N 1 0 340.383 3.141 20 5 EGBDRO C[C@@H]1CC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@@H](C)C1 ZINC000443656477 457798480 /nfs/dbraw/zinc/79/84/80/457798480.db2.gz LOXXCMYAFBZNTH-KEYYUXOJSA-N 1 0 331.416 3.068 20 5 EGBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000443650320 457798503 /nfs/dbraw/zinc/79/85/03/457798503.db2.gz IGMZPOPAFVFHAR-ZIAGYGMSSA-N 1 0 349.431 3.300 20 5 EGBDRO CNC(=O)c1ccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000358235963 457878337 /nfs/dbraw/zinc/87/83/37/457878337.db2.gz SFPXSPYOIHZPCW-CYBMUJFWSA-N 1 0 327.384 3.114 20 5 EGBDRO O=[N+]([O-])c1cccc(OCC[NH+]2CCC(F)(c3cccnc3)CC2)c1 ZINC000375359611 457895925 /nfs/dbraw/zinc/89/59/25/457895925.db2.gz DSYVNXOMNGUVJX-UHFFFAOYSA-N 1 0 345.374 3.329 20 5 EGBDRO O=[N+]([O-])c1ccccc1OCC[NH+]1CCC(F)(c2cccnc2)CC1 ZINC000375359606 457896285 /nfs/dbraw/zinc/89/62/85/457896285.db2.gz BMTGZCWUCGQRPA-UHFFFAOYSA-N 1 0 345.374 3.329 20 5 EGBDRO Cc1[nH]nc2ncc(C[NH2+]C(C)(C)c3ccc([N+](=O)[O-])cc3)cc12 ZINC000358284212 457909373 /nfs/dbraw/zinc/90/93/73/457909373.db2.gz WCXSYYWSAVXTKA-UHFFFAOYSA-N 1 0 325.372 3.199 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(c2c[nH]nc2C)CC1 ZINC000375392904 457911212 /nfs/dbraw/zinc/91/12/12/457911212.db2.gz RGPYSYJPMAHRPO-UHFFFAOYSA-N 1 0 330.388 3.015 20 5 EGBDRO Cc1c(C[NH2+]C2CCN(Cc3cccnc3)CC2)cccc1[N+](=O)[O-] ZINC000358302880 457921261 /nfs/dbraw/zinc/92/12/61/457921261.db2.gz ACDRYCJDMJDQSX-UHFFFAOYSA-N 1 0 340.427 3.052 20 5 EGBDRO CC[C@H]1CCCC[C@H]1[N@H+](C)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000444666641 457932482 /nfs/dbraw/zinc/93/24/82/457932482.db2.gz AGYUHELLDHKZLZ-XJKSGUPXSA-N 1 0 349.431 3.443 20 5 EGBDRO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCC(F)(F)CC1 ZINC000411733480 457966531 /nfs/dbraw/zinc/96/65/31/457966531.db2.gz GLKOOJSPLHSOBJ-UHFFFAOYSA-N 1 0 341.358 3.433 20 5 EGBDRO Cc1cccc(O[C@H]2CCCC[C@@H]2[NH2+]Cc2c([N+](=O)[O-])ncn2C)c1 ZINC000362020171 458008826 /nfs/dbraw/zinc/00/88/26/458008826.db2.gz WSYHIKKBSVJFEO-RDJZCZTQSA-N 1 0 344.415 3.117 20 5 EGBDRO CC(C)[C@H](c1ccc(F)cc1)[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000434620001 458023136 /nfs/dbraw/zinc/02/31/36/458023136.db2.gz WBCVGDGYXXOKHR-GOSISDBHSA-N 1 0 347.390 3.225 20 5 EGBDRO Cc1c([C@@H](C)[NH2+]Cc2cccc(-n3cncn3)c2)cccc1[N+](=O)[O-] ZINC000362236969 458043787 /nfs/dbraw/zinc/04/37/87/458043787.db2.gz HVNYSWRRPLDPQU-CQSZACIVSA-N 1 0 337.383 3.335 20 5 EGBDRO Cc1cc(N2CC[C@@H](c3nccn3C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000371733212 458053472 /nfs/dbraw/zinc/05/34/72/458053472.db2.gz AXWOJFKMEFTBTL-CYBMUJFWSA-N 1 0 337.383 3.179 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000375817511 458080516 /nfs/dbraw/zinc/08/05/16/458080516.db2.gz UIEUDSGTVUSJKS-GJZGRUSLSA-N 1 0 328.416 3.262 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)CCN1CCOC(C)(C)C1 ZINC000435039718 458083348 /nfs/dbraw/zinc/08/33/48/458083348.db2.gz ILVKQGHYVHEXNZ-VBKFSLOCSA-N 1 0 347.459 3.041 20 5 EGBDRO C[NH2+]C1CCN(Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)CC1 ZINC000435372455 458122534 /nfs/dbraw/zinc/12/25/34/458122534.db2.gz RHNRPHVMJZQWJC-UHFFFAOYSA-N 1 0 345.399 3.047 20 5 EGBDRO C[C@H]([NH3+])[C@H]1CCCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000435381920 458130092 /nfs/dbraw/zinc/13/00/92/458130092.db2.gz YQQBUZUJYNOARS-JSGCOSHPSA-N 1 0 346.456 3.278 20 5 EGBDRO Cn1cc(C[N@@H+]2CC[C@@H]3CCC[C@H]32)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000428464003 458149176 /nfs/dbraw/zinc/14/91/76/458149176.db2.gz WVIYGKKIFQKOQA-SUMWQHHRSA-N 1 0 326.400 3.370 20 5 EGBDRO COc1cccc(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000447512109 458302108 /nfs/dbraw/zinc/30/21/08/458302108.db2.gz XCNDBKBJSHJDAA-HOTGVXAUSA-N 1 0 330.388 3.073 20 5 EGBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCOCc2ccccc2)n1 ZINC000447531301 458305919 /nfs/dbraw/zinc/30/59/19/458305919.db2.gz OTFWSICNDBSOHH-IRXDYDNUSA-N 1 0 344.415 3.081 20 5 EGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCCOC2CCCC2)n1 ZINC000447529879 458305925 /nfs/dbraw/zinc/30/59/25/458305925.db2.gz LIVPSSIDGAMJDD-HZPDHXFCSA-N 1 0 336.436 3.214 20 5 EGBDRO CCCC(O)(CCC)C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447538515 458307391 /nfs/dbraw/zinc/30/73/91/458307391.db2.gz CHRUIUQHHPCTTO-GJZGRUSLSA-N 1 0 338.452 3.196 20 5 EGBDRO O=C(CC1CCCC1)NCC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447543150 458307556 /nfs/dbraw/zinc/30/75/56/458307556.db2.gz RDOFDHGBGOVXRG-GOSISDBHSA-N 1 0 345.443 3.258 20 5 EGBDRO CO[C@H](C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000447564659 458313306 /nfs/dbraw/zinc/31/33/06/458313306.db2.gz YMIBQKMQSFPMRD-YESZJQIVSA-N 1 0 344.415 3.252 20 5 EGBDRO CCO[C@@H]1C[C@H]([NH2+]CCCCc2ccc([N+](=O)[O-])cc2)[C@@H]1SC ZINC000459435197 458369795 /nfs/dbraw/zinc/36/97/95/458369795.db2.gz WUJZMVONSMLJGA-BBWFWOEESA-N 1 0 338.473 3.416 20 5 EGBDRO C[C@@H](CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000429803760 458373162 /nfs/dbraw/zinc/37/31/62/458373162.db2.gz GPFDDNYOVCVXEX-HNNXBMFYSA-N 1 0 347.459 3.109 20 5 EGBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429799805 458373407 /nfs/dbraw/zinc/37/34/07/458373407.db2.gz GPZWAYOIVPKNMZ-HUUCEWRRSA-N 1 0 347.459 3.109 20 5 EGBDRO Cc1c(C[NH2+][C@H]2CCC[C@@H](c3ccnn3C)C2)cccc1[N+](=O)[O-] ZINC000448024834 458380410 /nfs/dbraw/zinc/38/04/10/458380410.db2.gz AXYCUTDSKKVUGX-ZBFHGGJFSA-N 1 0 328.416 3.453 20 5 EGBDRO CC1(C)Cc2ccsc2CN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000459584750 458418921 /nfs/dbraw/zinc/41/89/21/458418921.db2.gz RBMIYTUGCGYBMG-UHFFFAOYSA-N 1 0 345.424 3.432 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1CN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000430201451 458420058 /nfs/dbraw/zinc/42/00/58/458420058.db2.gz JPPGXGCIUUXNEP-GOSISDBHSA-N 1 0 341.411 3.092 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1CN1CCC([NH+]2CCCCC2)CC1 ZINC000430214078 458423153 /nfs/dbraw/zinc/42/31/53/458423153.db2.gz WRJBPYXAYXZOSX-UHFFFAOYSA-N 1 0 333.432 3.054 20 5 EGBDRO C[C@H]1CCCC[C@@]1(C)[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000459610714 458427366 /nfs/dbraw/zinc/42/73/66/458427366.db2.gz KGHGOCGDPZWGAU-SCLBCKFNSA-N 1 0 331.416 3.042 20 5 EGBDRO C[C@H]1CCCC[C@]1(C)[NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000459616809 458428992 /nfs/dbraw/zinc/42/89/92/458428992.db2.gz QHNRMYBVIWYXEM-UGSOOPFHSA-N 1 0 347.415 3.451 20 5 EGBDRO CCOC[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000459724022 458457828 /nfs/dbraw/zinc/45/78/28/458457828.db2.gz WDMXKUOMCCJGIG-INIZCTEOSA-N 1 0 349.431 3.123 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C3(CO)CCSCC3)o2)c1 ZINC000459729198 458459750 /nfs/dbraw/zinc/45/97/50/458459750.db2.gz OMESSJRMSSVGIT-UHFFFAOYSA-N 1 0 348.424 3.203 20 5 EGBDRO C[N@@H+]1CCC[C@H](CC[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000459734158 458462058 /nfs/dbraw/zinc/46/20/58/458462058.db2.gz OGAMHNSNTIHPLC-GFCCVEGCSA-N 1 0 343.374 3.018 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000423667967 458469910 /nfs/dbraw/zinc/46/99/10/458469910.db2.gz UZPXLZARXMWPTQ-SHTZXODSSA-N 1 0 333.432 3.015 20 5 EGBDRO C[C@H](CC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)C1CC[NH2+]CC1 ZINC000423719262 458475258 /nfs/dbraw/zinc/47/52/58/458475258.db2.gz FAGDLQOYOXSGCQ-CQSZACIVSA-N 1 0 345.443 3.112 20 5 EGBDRO CCc1ccc(C(=O)N[C@@H](CCC[NH3+])c2ccccc2)cc1[N+](=O)[O-] ZINC000423964836 458523576 /nfs/dbraw/zinc/52/35/76/458523576.db2.gz HCEOGYRGUFZRML-KRWDZBQOSA-N 1 0 341.411 3.367 20 5 EGBDRO Cc1c(CC(=O)N[C@@H](CCC[NH3+])c2ccccc2)cccc1[N+](=O)[O-] ZINC000423973629 458527092 /nfs/dbraw/zinc/52/70/92/458527092.db2.gz RACPJAFRGSUWMZ-KRWDZBQOSA-N 1 0 341.411 3.042 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1C(=O)Nc1nc(C2CC[NH2+]CC2)cs1 ZINC000423976893 458527863 /nfs/dbraw/zinc/52/78/63/458527863.db2.gz GZPCPLCJHXKEBW-UHFFFAOYSA-N 1 0 346.412 3.079 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC(=O)Nc1cccc(F)c1 ZINC000468653908 458529668 /nfs/dbraw/zinc/52/96/68/458529668.db2.gz ZAJRBJWZFAYAHL-JYRVWZFOSA-N 1 0 343.358 3.366 20 5 EGBDRO C[C@@H]1C[C@@H](C)N(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000424050542 458545876 /nfs/dbraw/zinc/54/58/76/458545876.db2.gz DNTHVBBGCAQCLN-NFAWXSAZSA-N 1 0 347.459 3.338 20 5 EGBDRO CCOC(=O)c1cc(N[C@@H](C)C(C)(C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000469014540 458549999 /nfs/dbraw/zinc/54/99/99/458549999.db2.gz RVXLWHHOMMCXCN-LBPRGKRZSA-N 1 0 337.420 3.160 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCOC2(CCOCC2)C1 ZINC000469116782 458554959 /nfs/dbraw/zinc/55/49/59/458554959.db2.gz WAFDJGMDDQTIEI-GSPCDJLXSA-N 1 0 346.427 3.316 20 5 EGBDRO O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CCC[C@H](n2ccnc2)C1 ZINC000377869244 458558433 /nfs/dbraw/zinc/55/84/33/458558433.db2.gz OJZHXZCJTYIKIL-NSHDSACASA-N 1 0 349.778 3.314 20 5 EGBDRO C[NH+](C)CCc1ccccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000438572669 458601006 /nfs/dbraw/zinc/60/10/06/458601006.db2.gz SMGNMWZSKYFYKP-UHFFFAOYSA-N 1 0 345.374 3.019 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])c(-c2nc(C3([NH3+])CCCCC3)no2)c1 ZINC000424350392 458623560 /nfs/dbraw/zinc/62/35/60/458623560.db2.gz XFIQDOILNFWIBE-UHFFFAOYSA-N 1 0 332.360 3.162 20 5 EGBDRO COc1ccc(-c2ccc(C[NH2+][C@@H]3C[C@@H](O)C3(C)C)o2)c([N+](=O)[O-])c1 ZINC000494469395 458684102 /nfs/dbraw/zinc/68/41/02/458684102.db2.gz CNJZFZUHDVRMRU-IAGOWNOFSA-N 1 0 346.383 3.112 20 5 EGBDRO COc1ccc(-c2ccc(C[NH2+]CCC3CC(O)C3)o2)c([N+](=O)[O-])c1 ZINC000432362964 458724459 /nfs/dbraw/zinc/72/44/59/458724459.db2.gz QUKKTJJOGMBOOM-UHFFFAOYSA-N 1 0 346.383 3.114 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000463960924 458725851 /nfs/dbraw/zinc/72/58/51/458725851.db2.gz YOFDTQXZDXSQGG-DOMZBBRYSA-N 1 0 348.447 3.454 20 5 EGBDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ncccc1[N+](=O)[O-] ZINC000439695503 458741028 /nfs/dbraw/zinc/74/10/28/458741028.db2.gz ZARRQYMOIUNQRW-KRWDZBQOSA-N 1 0 340.427 3.338 20 5 EGBDRO CCC[C@H]1[C@@H](C)CCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000464739696 458766381 /nfs/dbraw/zinc/76/63/81/458766381.db2.gz PHVGQWSBOZNPEU-BBRMVZONSA-N 1 0 349.431 3.443 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)CCCNC(=O)C1CCC1 ZINC000432791073 458788065 /nfs/dbraw/zinc/78/80/65/458788065.db2.gz DUIFWZSYPIHSNJ-QINSGFPZSA-N 1 0 345.443 3.236 20 5 EGBDRO C[N@@H+]1CC[C@H]2CCN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)[C@H]2C1 ZINC000495203030 458811848 /nfs/dbraw/zinc/81/18/48/458811848.db2.gz UOTNQQOPKSAIEV-KSSFIOAISA-N 1 0 341.411 3.381 20 5 EGBDRO CCOC(=O)C1(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC000473056072 458818750 /nfs/dbraw/zinc/81/87/50/458818750.db2.gz FJWVBHMTBNYTFX-ZBFHGGJFSA-N 1 0 346.427 3.239 20 5 EGBDRO C[NH+](C)[C@@H](CNc1nc2ccccc2cc1[N+](=O)[O-])c1cccs1 ZINC000473513429 458832867 /nfs/dbraw/zinc/83/28/67/458832867.db2.gz NIPLWBQQCFKEEU-HNNXBMFYSA-N 1 0 342.424 3.341 20 5 EGBDRO CCC[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000466486666 458901188 /nfs/dbraw/zinc/90/11/88/458901188.db2.gz PIWUAJARVGXRGM-KGLIPLIRSA-N 1 0 349.431 3.443 20 5 EGBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000466818065 458925476 /nfs/dbraw/zinc/92/54/76/458925476.db2.gz XQWPVPGGYWBXCX-ZANVPECISA-N 1 0 340.221 3.252 20 5 EGBDRO CC(C)NC(=O)[C@@H]1CCC[C@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000566474248 458944381 /nfs/dbraw/zinc/94/43/81/458944381.db2.gz GAFFVCXYWGLKDD-KEYYUXOJSA-N 1 0 345.443 3.255 20 5 EGBDRO COCCOc1ccc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cn1 ZINC000531682041 458959347 /nfs/dbraw/zinc/95/93/47/458959347.db2.gz TXLSVROEQAIACL-AWEZNQCLSA-N 1 0 345.399 3.174 20 5 EGBDRO CC1(C)C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]2CCC[C@H]21 ZINC000577045516 458970385 /nfs/dbraw/zinc/97/03/85/458970385.db2.gz UOKSOQBKJPKQFG-UKRRQHHQSA-N 1 0 331.416 3.434 20 5 EGBDRO CCc1ccc(C(=O)N[C@H](C)C[NH+]2CCCCCC2)cc1[N+](=O)[O-] ZINC000476221832 458986978 /nfs/dbraw/zinc/98/69/78/458986978.db2.gz VBEZPVBUHCVKJG-CQSZACIVSA-N 1 0 333.432 3.152 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]Cc2cccc(N3CCC3=O)c2)cc1[N+](=O)[O-] ZINC000442803613 459039547 /nfs/dbraw/zinc/03/95/47/459039547.db2.gz TZBJNYXMXMEIQO-AWEZNQCLSA-N 1 0 339.395 3.491 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CC[C@@](O)(C(F)(F)F)C1 ZINC000589949555 459055896 /nfs/dbraw/zinc/05/58/96/459055896.db2.gz CADYCUFYORZALK-MJVIPROJSA-N 1 0 332.322 3.400 20 5 EGBDRO C[C@H](c1ccccc1)[C@H](CO)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594498236 459062135 /nfs/dbraw/zinc/06/21/35/459062135.db2.gz ICFHUSFKVKDNOB-BVGQSLNGSA-N 1 0 326.396 3.336 20 5 EGBDRO Cc1cccn2cc(CC[NH2+][C@@H]3CCc4c3cccc4[N+](=O)[O-])nc12 ZINC000594496904 459062572 /nfs/dbraw/zinc/06/25/72/459062572.db2.gz ZPHNYZCQVRRFKF-QGZVFWFLSA-N 1 0 336.395 3.371 20 5 EGBDRO Cc1cnc(CC[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c(C)c1 ZINC000594509328 459068186 /nfs/dbraw/zinc/06/81/86/459068186.db2.gz HMXIOFANOVXOIC-IAGOWNOFSA-N 1 0 343.431 3.119 20 5 EGBDRO CCC(C)(C)[NH+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000594534308 459081856 /nfs/dbraw/zinc/08/18/56/459081856.db2.gz DJQBSOLOLGQYDW-UHFFFAOYSA-N 1 0 338.383 3.072 20 5 EGBDRO Cc1ccc([C@@H]([NH2+]CCn2ccc([N+](=O)[O-])n2)c2ccccc2)cc1 ZINC000478424704 459091071 /nfs/dbraw/zinc/09/10/71/459091071.db2.gz DZINQFYIPUTBCG-IBGZPJMESA-N 1 0 336.395 3.479 20 5 EGBDRO COC(C)(C)C[N@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000567725400 459154382 /nfs/dbraw/zinc/15/43/82/459154382.db2.gz GFVJEBHHSHENQF-UHFFFAOYSA-N 1 0 331.210 3.214 20 5 EGBDRO COC[C@H](C)Oc1ccc(C[NH2+]CCc2ccccc2[N+](=O)[O-])cc1 ZINC000594928140 459179998 /nfs/dbraw/zinc/17/99/98/459179998.db2.gz DMFUONHFXQEHOD-HNNXBMFYSA-N 1 0 344.411 3.341 20 5 EGBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000480206988 459188055 /nfs/dbraw/zinc/18/80/55/459188055.db2.gz QPFLKEIZTAYJCJ-GDBMZVCRSA-N 1 0 339.395 3.411 20 5 EGBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000480206990 459188155 /nfs/dbraw/zinc/18/81/55/459188155.db2.gz QPFLKEIZTAYJCJ-HOCLYGCPSA-N 1 0 339.395 3.411 20 5 EGBDRO CC(C)c1ccc(C[NH2+][C@@H]2CCC[C@@H]([S@@](C)=O)C2)cc1[N+](=O)[O-] ZINC000594961949 459194500 /nfs/dbraw/zinc/19/45/00/459194500.db2.gz BLBJLWYNNQMMHT-GGOJBBCOSA-N 1 0 338.473 3.498 20 5 EGBDRO C[N@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)CC1CCCCC1 ZINC000533222995 459203730 /nfs/dbraw/zinc/20/37/30/459203730.db2.gz SBKHEPLJMQVNJI-UHFFFAOYSA-N 1 0 347.415 3.405 20 5 EGBDRO C[C@H](C1CCCCC1)[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000558734036 459206751 /nfs/dbraw/zinc/20/67/51/459206751.db2.gz MQHBTVNFZHFXKL-ZBFHGGJFSA-N 1 0 336.432 3.235 20 5 EGBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H](C)C(F)(F)F ZINC000480669310 459212000 /nfs/dbraw/zinc/21/20/00/459212000.db2.gz KEQSKMYWYGGTPZ-VHSXEESVSA-N 1 0 333.310 3.100 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC1([C@@H](C)CCO)CCC1 ZINC000595029264 459222152 /nfs/dbraw/zinc/22/21/52/459222152.db2.gz YFKFJZVFOFHRLD-KBPBESRZSA-N 1 0 336.432 3.443 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CC[C@@](O)(C(F)(F)F)C1 ZINC000595037088 459224793 /nfs/dbraw/zinc/22/47/93/459224793.db2.gz BKUVUEGERZBYAE-BHDSKKPTSA-N 1 0 348.321 3.100 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)NCC(C)(C)C[NH+]1CCCC1 ZINC000595045540 459227059 /nfs/dbraw/zinc/22/70/59/459227059.db2.gz NLRCXAYLOKQNKK-AWEZNQCLSA-N 1 0 335.448 3.376 20 5 EGBDRO O=[N+]([O-])c1ccc(CCN2CCC[N@H+](Cc3ccccc3)CC2)cc1 ZINC000522268991 459232648 /nfs/dbraw/zinc/23/26/48/459232648.db2.gz CRZZRXALEPPXFM-UHFFFAOYSA-N 1 0 339.439 3.345 20 5 EGBDRO COC(C)(C)C[N@H+](C)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000533482988 459241665 /nfs/dbraw/zinc/24/16/65/459241665.db2.gz URGXSDRNJFHBNX-NSHDSACASA-N 1 0 334.376 3.063 20 5 EGBDRO CC(C)(C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)[C@]1(O)CCCOC1 ZINC000595096184 459244757 /nfs/dbraw/zinc/24/47/57/459244757.db2.gz XIQQXWSOGBRMMY-MJGOQNOKSA-N 1 0 348.443 3.130 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CC[C@H](C4CCC4)C3)o2)cc1 ZINC000591062219 459303376 /nfs/dbraw/zinc/30/33/76/459303376.db2.gz YCNBGNIQSVLZTK-AWEZNQCLSA-N 1 0 328.372 3.267 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CCc3ccc(Cl)cc3)CC2)cn1 ZINC000560186365 459311262 /nfs/dbraw/zinc/31/12/62/459311262.db2.gz WZUVSWAHCHLMJF-UHFFFAOYSA-N 1 0 346.818 3.008 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000591298967 459348943 /nfs/dbraw/zinc/34/89/43/459348943.db2.gz QMEJSBXHFZAUIA-INIZCTEOSA-N 1 0 346.431 3.145 20 5 EGBDRO COc1ccc(NC(=O)C[N@@H+]2CCC[C@H](C(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000483248084 459353953 /nfs/dbraw/zinc/35/39/53/459353953.db2.gz PWDAHPDLKGMEPW-ZDUSSCGKSA-N 1 0 349.431 3.300 20 5 EGBDRO COC[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cccc(OC)c1 ZINC000595684586 459396311 /nfs/dbraw/zinc/39/63/11/459396311.db2.gz PHDDISVWTKHMKK-GOSISDBHSA-N 1 0 330.384 3.123 20 5 EGBDRO C[C@H]1CCC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H]1CCO ZINC000595697540 459401801 /nfs/dbraw/zinc/40/18/01/459401801.db2.gz LQGZGNLSGSCZHG-SUMWQHHRSA-N 1 0 345.399 3.233 20 5 EGBDRO C[C@H](C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000582652426 459402540 /nfs/dbraw/zinc/40/25/40/459402540.db2.gz SMMXXDVUNFHZHH-RBSFLKMASA-N 1 0 345.443 3.347 20 5 EGBDRO CCc1ccc([C@H](NCC[NH2+]C2CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000591577336 459406590 /nfs/dbraw/zinc/40/65/90/459406590.db2.gz SOLGHBHWEPULNY-GOSISDBHSA-N 1 0 329.400 3.181 20 5 EGBDRO [NH3+][C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)C1 ZINC000591669029 459420511 /nfs/dbraw/zinc/42/05/11/459420511.db2.gz NNHYLZGCSXTDEQ-LBPRGKRZSA-N 1 0 349.456 3.193 20 5 EGBDRO Cc1c(C[NH2+]CCC(=O)N(C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000596062051 459504694 /nfs/dbraw/zinc/50/46/94/459504694.db2.gz GSTAATIXPVQNJY-UHFFFAOYSA-N 1 0 327.384 3.046 20 5 EGBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CCCSC1 ZINC000562046902 459505963 /nfs/dbraw/zinc/50/59/63/459505963.db2.gz ZYFDJEXGJMQDGD-OLZOCXBDSA-N 1 0 337.445 3.045 20 5 EGBDRO CCC(CC)[C@H](CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])[NH+](C)C ZINC000596072201 459508893 /nfs/dbraw/zinc/50/88/93/459508893.db2.gz ZLTANGRMAJOEMQ-INIZCTEOSA-N 1 0 347.419 3.022 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000596094378 459518501 /nfs/dbraw/zinc/51/85/01/459518501.db2.gz LRRHAQZIPTZROK-HOCLYGCPSA-N 1 0 347.459 3.376 20 5 EGBDRO Cc1c(C[N@H+]2C[C@H](c3cnn(C)c3)C(C)(C)C2)cccc1[N+](=O)[O-] ZINC000569890916 459524407 /nfs/dbraw/zinc/52/44/07/459524407.db2.gz GBCWELRONTWCNO-MRXNPFEDSA-N 1 0 328.416 3.262 20 5 EGBDRO O=[N+]([O-])c1cc(N2CC[C@@H]([NH+]3CC=CC3)C2)ccc1C(F)(F)F ZINC000596140352 459534331 /nfs/dbraw/zinc/53/43/31/459534331.db2.gz GZGIXLNSDSPADV-GFCCVEGCSA-N 1 0 327.306 3.064 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+](C)CCC(C)(C)C ZINC000592145008 459536257 /nfs/dbraw/zinc/53/62/57/459536257.db2.gz SLHAKGRSJWSFKA-GFCCVEGCSA-N 1 0 337.420 3.298 20 5 EGBDRO Cc1cc(NCCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])s1 ZINC000596156429 459541312 /nfs/dbraw/zinc/54/13/12/459541312.db2.gz QJFNQFHVNYPHNG-TXEJJXNPSA-N 1 0 327.450 3.266 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@H](N2CCCC2=O)C1 ZINC000526063087 459542041 /nfs/dbraw/zinc/54/20/41/459542041.db2.gz RNFZXMQPWTYBJJ-OTMARIDSSA-N 1 0 343.427 3.085 20 5 EGBDRO CC(C)C[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])CC(C)(C)C ZINC000542281998 459544159 /nfs/dbraw/zinc/54/41/59/459544159.db2.gz MEWRRWPEKMXJPW-OAHLLOKOSA-N 1 0 338.448 3.339 20 5 EGBDRO Cc1cc(NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c([N+](=O)[O-])s1 ZINC000596165362 459544546 /nfs/dbraw/zinc/54/45/46/459544546.db2.gz KCVMXRCIWWIJEF-CABCVRRESA-N 1 0 339.461 3.145 20 5 EGBDRO O=[N+]([O-])c1cc(C(F)F)ccc1NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000596168828 459545825 /nfs/dbraw/zinc/54/58/25/459545825.db2.gz XUGBMFOCTSXWOB-ZDUSSCGKSA-N 1 0 341.358 3.198 20 5 EGBDRO CCc1ccc([C@@H](NCCC[NH+](C)C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000542477026 459561085 /nfs/dbraw/zinc/56/10/85/459561085.db2.gz BJAQBPPJVZXTTQ-SFHVURJKSA-N 1 0 331.416 3.381 20 5 EGBDRO CCc1ccc(C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000592254256 459561088 /nfs/dbraw/zinc/56/10/88/459561088.db2.gz ASBKJFSTKLCJCY-SJORKVTESA-N 1 0 345.443 3.009 20 5 EGBDRO C[N@H+]1Cc2ccccc2[C@H](Nc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000542506286 459563085 /nfs/dbraw/zinc/56/30/85/459563085.db2.gz QHSUNUNKRWGAOO-OAHLLOKOSA-N 1 0 335.367 3.137 20 5 EGBDRO Cc1ccc(-c2nn(C)cc2C[NH2+]CCc2ccccc2[N+](=O)[O-])o1 ZINC000592363660 459580574 /nfs/dbraw/zinc/58/05/74/459580574.db2.gz IILYPVMIPPMEIH-UHFFFAOYSA-N 1 0 340.383 3.229 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]Cc1ccc(CO)cc1)C1CC1 ZINC000592393170 459589980 /nfs/dbraw/zinc/58/99/80/459589980.db2.gz QKTRFYMTIWMPRX-SFHVURJKSA-N 1 0 326.396 3.198 20 5 EGBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000592568215 459631016 /nfs/dbraw/zinc/63/10/16/459631016.db2.gz KGTSDYQVHAVONJ-LBPRGKRZSA-N 1 0 349.456 3.111 20 5 EGBDRO CC(C)(C)c1ccc(C(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)cc1[N+](=O)[O-] ZINC000592567946 459631247 /nfs/dbraw/zinc/63/12/47/459631247.db2.gz GJJIMDPHMRUUSM-AWEZNQCLSA-N 1 0 345.443 3.297 20 5 EGBDRO Cc1ccnc(NCC2CC[NH+](Cc3ccncc3)CC2)c1[N+](=O)[O-] ZINC000596442894 459637792 /nfs/dbraw/zinc/63/77/92/459637792.db2.gz VBJAZRNTGFERHF-UHFFFAOYSA-N 1 0 341.415 3.017 20 5 EGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCOc1ncccc1Cl ZINC000573506730 459688570 /nfs/dbraw/zinc/68/85/70/459688570.db2.gz VERRPSAUHYVUJK-AWEZNQCLSA-N 1 0 333.775 3.299 20 5 EGBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H]2CCCc3ccc(O)cc32)cc1 ZINC000584265735 459693985 /nfs/dbraw/zinc/69/39/85/459693985.db2.gz WOJMFEOSMDZBRA-GOSISDBHSA-N 1 0 328.368 3.346 20 5 EGBDRO Cc1cc(N2CC[C@H]3[NH2+]CC[C@H]3C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000584460252 459744123 /nfs/dbraw/zinc/74/41/23/459744123.db2.gz OJNGTXKNMGNMOH-CMPLNLGQSA-N 1 0 329.322 3.110 20 5 EGBDRO CC[C@@H]1COC(C)(C)C[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000593056778 459758175 /nfs/dbraw/zinc/75/81/75/459758175.db2.gz PEKJHGHRBOCGMM-CQSZACIVSA-N 1 0 349.431 3.121 20 5 EGBDRO Cc1cc(NC(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000596821670 459770932 /nfs/dbraw/zinc/77/09/32/459770932.db2.gz XYSZZGXTBKBPNF-ZDUSSCGKSA-N 1 0 334.420 3.145 20 5 EGBDRO COC(=O)[C@@H]1C[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@H]1C1CC1 ZINC000593129408 459782824 /nfs/dbraw/zinc/78/28/24/459782824.db2.gz HSFNKGKHIBJBFV-OAUYIBNBSA-N 1 0 332.400 3.095 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000574505876 459827530 /nfs/dbraw/zinc/82/75/30/459827530.db2.gz YSYZFWJUPRNYSO-CQSZACIVSA-N 1 0 330.215 3.482 20 5 EGBDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000598261322 459841495 /nfs/dbraw/zinc/84/14/95/459841495.db2.gz QURJHMBSWOKXCW-HNNXBMFYSA-N 1 0 347.459 3.109 20 5 EGBDRO Cc1ccc([C@H](C)NC(=O)[C@H]2CC[N@@H+]2C2CCCC2)cc1[N+](=O)[O-] ZINC000602117623 459847227 /nfs/dbraw/zinc/84/72/27/459847227.db2.gz OZVKFJUMYDYYDN-XJKSGUPXSA-N 1 0 331.416 3.097 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](Cc3cnc4n3CCC4)C2)cc1 ZINC000597138309 459849617 /nfs/dbraw/zinc/84/96/17/459849617.db2.gz PRCMAYSBQKZFSK-HNNXBMFYSA-N 1 0 326.400 3.117 20 5 EGBDRO C[C@@H](c1ccccc1)[C@H](CO)[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000586769581 459867873 /nfs/dbraw/zinc/86/78/73/459867873.db2.gz DEJNFUQKOUEBLD-GTNSWQLSSA-N 1 0 336.338 3.127 20 5 EGBDRO C[C@H]1C[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@]1(C)CO ZINC000597237413 459888208 /nfs/dbraw/zinc/88/82/08/459888208.db2.gz ZXUZQZMURUXKJE-SCLBCKFNSA-N 1 0 330.384 3.305 20 5 EGBDRO Cc1occc1C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000608836390 459888453 /nfs/dbraw/zinc/88/84/53/459888453.db2.gz BLXBWMYPCUZMMO-UHFFFAOYSA-N 1 0 326.356 3.187 20 5 EGBDRO O=[N+]([O-])c1cccc(F)c1C[NH+]1C[C@@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000609144415 459911018 /nfs/dbraw/zinc/91/10/18/459911018.db2.gz XQGZHMACZDPGAJ-HUUCEWRRSA-N 1 0 341.386 3.302 20 5 EGBDRO O=C(CC[N@@H+]1CCCc2sccc2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000609322953 459942580 /nfs/dbraw/zinc/94/25/80/459942580.db2.gz ODOLBXYKVDHFGB-UHFFFAOYSA-N 1 0 345.424 3.433 20 5 EGBDRO CC(C)(C)c1ccc(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000609383481 459955132 /nfs/dbraw/zinc/95/51/32/459955132.db2.gz PNLVEVFGRXJXIL-OAHLLOKOSA-N 1 0 345.443 3.106 20 5 EGBDRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000609383440 459955659 /nfs/dbraw/zinc/95/56/59/459955659.db2.gz NWLOERKVJWNPRN-CYBMUJFWSA-N 1 0 345.424 3.024 20 5 EGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000602480132 459959977 /nfs/dbraw/zinc/95/99/77/459959977.db2.gz UDTVMOSUZLTHRL-DGCLKSJQSA-N 1 0 344.333 3.472 20 5 EGBDRO C[NH+](C)[C@H](CNCc1nc2cc([N+](=O)[O-])ccc2o1)C1CCCCC1 ZINC000602515452 459978222 /nfs/dbraw/zinc/97/82/22/459978222.db2.gz VOSYIZYGQVLVRW-MRXNPFEDSA-N 1 0 346.431 3.336 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]Cc3ccc(F)cc3F)CC2)cn1 ZINC000602523663 459980925 /nfs/dbraw/zinc/98/09/25/459980925.db2.gz DZKWFLBINRQEBS-UHFFFAOYSA-N 1 0 348.353 3.027 20 5 EGBDRO CCC[N@@H+]1CC[C@@H](CNCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602527945 459983847 /nfs/dbraw/zinc/98/38/47/459983847.db2.gz NMAXWDLXKRLTPD-LBPRGKRZSA-N 1 0 345.365 3.435 20 5 EGBDRO C[NH+](C)CC[C@H](NCc1nc2cc([N+](=O)[O-])ccc2o1)C(C)(C)C ZINC000602544742 459991065 /nfs/dbraw/zinc/99/10/65/459991065.db2.gz KJDBRGDSZQNQTJ-HNNXBMFYSA-N 1 0 334.420 3.192 20 5 EGBDRO CC[C@H]1CCCC[N@@H+]1CCNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602545997 459992195 /nfs/dbraw/zinc/99/21/95/459992195.db2.gz AGMGEJBKQBNHOA-ZDUSSCGKSA-N 1 0 332.404 3.090 20 5 EGBDRO CCC[C@@](C)(O)C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602546006 459992491 /nfs/dbraw/zinc/99/24/91/459992491.db2.gz AMXJRAAQBYZRPW-LLVKDONJSA-N 1 0 337.239 3.060 20 5 EGBDRO C[C@H]1CCCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)[C@H]1CC[NH3+] ZINC000593914249 460015597 /nfs/dbraw/zinc/01/55/97/460015597.db2.gz BVUPBJZCISHBOU-BBRMVZONSA-N 1 0 347.459 3.482 20 5 EGBDRO CC(C)c1ccc(C(=O)N2CCC[C@@H](C)[C@@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC000593916291 460017557 /nfs/dbraw/zinc/01/75/57/460017557.db2.gz PKRJHGXHMACWHP-CJNGLKHVSA-N 1 0 333.432 3.308 20 5 EGBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000589064674 460023265 /nfs/dbraw/zinc/02/32/65/460023265.db2.gz IGVNIHXKOZJKIH-AWEZNQCLSA-N 1 0 335.448 3.109 20 5 EGBDRO CO[C@H](c1ccccc1)[C@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000602637209 460035431 /nfs/dbraw/zinc/03/54/31/460035431.db2.gz MUNJGKDFTUTIKY-SGTLLEGYSA-N 1 0 340.383 3.337 20 5 EGBDRO COc1ccc(-c2ccc(C[N@H+](C)C[C@H](O)C3CC3)o2)c([N+](=O)[O-])c1 ZINC000589198188 460052078 /nfs/dbraw/zinc/05/20/78/460052078.db2.gz QDDROIVVNJALPJ-KRWDZBQOSA-N 1 0 346.383 3.066 20 5 EGBDRO CO[C@H]1C[C@@H]([N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)C12CCC2 ZINC000602682847 460063820 /nfs/dbraw/zinc/06/38/20/460063820.db2.gz SLGJHZSDNYSCNW-CABCVRRESA-N 1 0 331.372 3.125 20 5 EGBDRO CO[C@@H]1CCC[C@H]1[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602686515 460065139 /nfs/dbraw/zinc/06/51/39/460065139.db2.gz WQLOWSQDBNDSNA-NXEZZACHSA-N 1 0 335.223 3.076 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCc1ccc(CO)cc1)CCC2 ZINC000618572131 460067008 /nfs/dbraw/zinc/06/70/08/460067008.db2.gz FRQHVVQXBVQEOL-IBGZPJMESA-N 1 0 326.396 3.297 20 5 EGBDRO C[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CS1 ZINC000602691282 460069507 /nfs/dbraw/zinc/06/95/07/460069507.db2.gz QLOBRWHCVSUEFT-RNFRBKRXSA-N 1 0 337.264 3.402 20 5 EGBDRO CN(C)c1c(F)c(F)ccc1C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000598961592 460104237 /nfs/dbraw/zinc/10/42/37/460104237.db2.gz OUASRAJAFKMYTA-UHFFFAOYSA-N 1 0 335.354 3.271 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@H](Cc2ccccc2)[C@@H]1C ZINC000602781194 460122258 /nfs/dbraw/zinc/12/22/58/460122258.db2.gz IGLYGKIXIMFXED-YOEHRIQHSA-N 1 0 328.416 3.053 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@@H](C)C[C@H]1c1ccccc1F ZINC000602785505 460124504 /nfs/dbraw/zinc/12/45/04/460124504.db2.gz UPQIYMXVCWEPLS-LRDDRELGSA-N 1 0 332.379 3.322 20 5 EGBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+]2CCC(C3CCCC3)CC2)c1 ZINC000610370793 460138590 /nfs/dbraw/zinc/13/85/90/460138590.db2.gz JJOUIPTVGWGBIN-GOSISDBHSA-N 1 0 348.443 3.237 20 5 EGBDRO O=C1Nc2ccccc2C[C@H]1[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000599073667 460152477 /nfs/dbraw/zinc/15/24/77/460152477.db2.gz GVJSRPSLLRUMCB-QZTJIDSGSA-N 1 0 337.379 3.125 20 5 EGBDRO O=[N+]([O-])c1sccc1NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000610914861 460259627 /nfs/dbraw/zinc/25/96/27/460259627.db2.gz KKGFVOQNJOPCST-UHFFFAOYSA-N 1 0 347.440 3.225 20 5 EGBDRO C[C@H]1CC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C[C@@H](C)C1 ZINC000611039376 460281212 /nfs/dbraw/zinc/28/12/12/460281212.db2.gz VWLLKMYMHXJSNC-KBPBESRZSA-N 1 0 347.415 3.261 20 5 EGBDRO COc1ccc(-c2ccc(C[NH2+][C@H](CO)CC3CC3)o2)c([N+](=O)[O-])c1 ZINC000611108219 460289934 /nfs/dbraw/zinc/28/99/34/460289934.db2.gz IDPPFUYCCBEKKQ-ZDUSSCGKSA-N 1 0 346.383 3.114 20 5 EGBDRO Cn1cc(C[N@H+](C)CCOC(C)(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000611274671 460325571 /nfs/dbraw/zinc/32/55/71/460325571.db2.gz BWSWOBJNVVAHDQ-UHFFFAOYSA-N 1 0 346.431 3.242 20 5 EGBDRO COC(=O)C(C)(C)[C@H]1CCC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000611531642 460390875 /nfs/dbraw/zinc/39/08/75/460390875.db2.gz DOOUBLQMXUVKSS-HNNXBMFYSA-N 1 0 334.416 3.314 20 5 EGBDRO CCCC[NH+]1CCC(Nc2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000611702480 460432358 /nfs/dbraw/zinc/43/23/58/460432358.db2.gz UFRNEOLGYDMBFW-UHFFFAOYSA-N 1 0 329.404 3.214 20 5 EGBDRO O=[N+]([O-])c1ccc2ncnc(NCCCCC[NH+]3CCCCC3)c2c1 ZINC000611705581 460433741 /nfs/dbraw/zinc/43/37/41/460433741.db2.gz HBYJDUMBVCZWGA-UHFFFAOYSA-N 1 0 343.431 3.028 20 5 EGBDRO C[N@H+]1Cc2ccccc2[C@@H](Nc2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000611712388 460436869 /nfs/dbraw/zinc/43/68/69/460436869.db2.gz JSCMLOXBMMBILN-KRWDZBQOSA-N 1 0 335.367 3.137 20 5 EGBDRO COc1ccc(OCC[NH2+][C@H](C)c2cnccc2C)c([N+](=O)[O-])c1 ZINC000611939763 460491813 /nfs/dbraw/zinc/49/18/13/460491813.db2.gz NVVSMCKWVCCCLC-CYBMUJFWSA-N 1 0 331.372 3.036 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C)c1cnccc1C ZINC000611939746 460492026 /nfs/dbraw/zinc/49/20/26/460492026.db2.gz NLQDZDHOTQLLAC-CQSZACIVSA-N 1 0 342.399 3.286 20 5 EGBDRO CC[C@@H]1C[N@H+](C)CCCN1c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000601188737 460744760 /nfs/dbraw/zinc/74/47/60/460744760.db2.gz MKFJJZUXLALHNW-LLVKDONJSA-N 1 0 329.347 3.117 20 5 EGBDRO Cc1ncc([C@@H](C)[NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)s1 ZINC000601298349 460780022 /nfs/dbraw/zinc/78/00/22/460780022.db2.gz MWFASDHKVNOPOU-GHMZBOCLSA-N 1 0 348.428 3.428 20 5 EGBDRO C[C@H](CNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)[N@@H+]1CCCC[C@H]1C ZINC000617698832 460958584 /nfs/dbraw/zinc/95/85/84/460958584.db2.gz VEHCQYNAYTYLTR-KFWWJZLASA-N 1 0 333.432 3.077 20 5 EGBDRO NC(=O)[C@H]1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000155000637 534450535 /nfs/dbraw/zinc/45/05/35/534450535.db2.gz OQXYBSJVASVZBU-ZDUSSCGKSA-N 1 0 345.424 3.021 20 5 EGBDRO CCN(C)C(=O)[C@H](C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000188890334 527781923 /nfs/dbraw/zinc/78/19/23/527781923.db2.gz BCLLHLAVRXGTLV-LBPRGKRZSA-N 1 0 347.440 3.280 20 5 EGBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000177820033 527897286 /nfs/dbraw/zinc/89/72/86/527897286.db2.gz XSTLOXJHMOPMRK-OLZOCXBDSA-N 1 0 349.456 3.016 20 5 EGBDRO CC1CC[NH+](CCN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000154069747 528241865 /nfs/dbraw/zinc/24/18/65/528241865.db2.gz USQYCTVBJLZRKT-UHFFFAOYSA-N 1 0 347.459 3.170 20 5 EGBDRO CC[NH+](CC)[C@H](CNC(=O)c1ccc(F)cc1[N+](=O)[O-])c1ccco1 ZINC000133741106 528279008 /nfs/dbraw/zinc/27/90/08/528279008.db2.gz FPUOEBPPVIQVRE-OAHLLOKOSA-N 1 0 349.362 3.140 20 5 EGBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H](O)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000153626309 528607232 /nfs/dbraw/zinc/60/72/32/528607232.db2.gz XJQCEHYOCDZTDA-WMLDXEAASA-N 1 0 344.411 3.248 20 5 EGBDRO CC(C)[NH+]1CCC(Nc2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000129333419 529002193 /nfs/dbraw/zinc/00/21/93/529002193.db2.gz RADDORMFPCQJSG-UHFFFAOYSA-N 1 0 343.225 3.037 20 5 EGBDRO CC(C)[C@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)[NH+]1CCC(C)CC1 ZINC000172790555 534994566 /nfs/dbraw/zinc/99/45/66/534994566.db2.gz XMJQYHLTYCSNRI-SFHVURJKSA-N 1 0 347.459 3.010 20 5 EGBDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cc(N)ccc1[N+](=O)[O-] ZINC000193459219 536434094 /nfs/dbraw/zinc/43/40/94/536434094.db2.gz DNFVZMHBFJFLNH-INIZCTEOSA-N 1 0 340.427 3.135 20 5 EGBDRO COC1(CC[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CCC1 ZINC000339456413 536617909 /nfs/dbraw/zinc/61/79/09/536617909.db2.gz ZBTJLTBCGIUQIZ-UHFFFAOYSA-N 1 0 330.331 3.245 20 5 EGBDRO COc1ccc(-c2ccc(C[N@@H+]3CCCO[C@@H](C)C3)o2)c([N+](=O)[O-])c1 ZINC000353453123 536896277 /nfs/dbraw/zinc/89/62/77/536896277.db2.gz CZYSZMPZIFMJBK-ZDUSSCGKSA-N 1 0 346.383 3.474 20 5 EGBDRO O=[N+]([O-])c1ccc2cnn(C[N@@H+]3CC[C@H](Cc4ccccc4)C3)c2c1 ZINC000742152699 576752295 /nfs/dbraw/zinc/75/22/95/576752295.db2.gz KPXKDFCIMRAXTD-MRXNPFEDSA-N 1 0 336.395 3.467 20 5 EGBDRO Cc1c([C@@H](C)[NH2+]C[C@@]2(O)CCc3ccccc32)cccc1[N+](=O)[O-] ZINC000090779914 1292806078 /nfs/dbraw/zinc/80/60/78/1292806078.db2.gz QRJVFGMIJXXOBH-KUHUBIRLSA-N 1 0 326.396 3.388 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2ncn(C[N@@H+]3CCC[C@@H]3C3CCC3)n2)c1 ZINC000102885706 1292984128 /nfs/dbraw/zinc/98/41/28/1292984128.db2.gz DFRPFPPZAPDHSG-MRXNPFEDSA-N 1 0 327.388 3.075 20 5 EGBDRO CCOC[C@H]1CCC[N@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000113923555 1293158933 /nfs/dbraw/zinc/15/89/33/1293158933.db2.gz QPZYLKJQUIZDAL-HNNXBMFYSA-N 1 0 344.415 3.164 20 5 EGBDRO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000122345846 1293409308 /nfs/dbraw/zinc/40/93/08/1293409308.db2.gz CQOVBJZWCBQUFG-HZPDHXFCSA-N 1 0 349.431 3.173 20 5 EGBDRO O=C(CC[NH+]1Cc2ccccc2C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000128563914 1293598360 /nfs/dbraw/zinc/59/83/60/1293598360.db2.gz UCROBKRRVLGESZ-UHFFFAOYSA-N 1 0 329.331 3.078 20 5 EGBDRO C[N@H+](CCNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)Cc1ccccc1 ZINC000154649206 1294064609 /nfs/dbraw/zinc/06/46/09/1294064609.db2.gz HTXTWFDLCKZJDY-UHFFFAOYSA-N 1 0 347.802 3.110 20 5 EGBDRO COCc1cccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000179186747 1294777282 /nfs/dbraw/zinc/77/72/82/1294777282.db2.gz PZZRAQFRDBSEPG-UHFFFAOYSA-N 1 0 341.411 3.063 20 5 EGBDRO CC1(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)OCCO1 ZINC000179554724 1294804682 /nfs/dbraw/zinc/80/46/82/1294804682.db2.gz LMQNHDMKPBFGKU-UHFFFAOYSA-N 1 0 334.397 3.176 20 5 EGBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000247878339 1296401813 /nfs/dbraw/zinc/40/18/13/1296401813.db2.gz ZIECHZSHFQKLMJ-RYUDHWBXSA-N 1 0 339.823 3.098 20 5 EGBDRO C[C@@H](c1nc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)no1)c1cccc([N+](=O)[O-])c1 ZINC000871798001 1296539667 /nfs/dbraw/zinc/53/96/67/1296539667.db2.gz MOBHXUZRNORKAG-NDNKKMJESA-N 1 0 328.372 3.128 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H](O)COCC(C)C ZINC000872027934 1296674263 /nfs/dbraw/zinc/67/42/63/1296674263.db2.gz OFDGLQPFYCCKDE-OCCSQVGLSA-N 1 0 342.461 3.001 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCSCCCO ZINC000872035615 1296685772 /nfs/dbraw/zinc/68/57/72/1296685772.db2.gz XOZOLGVFHQCNSP-NSHDSACASA-N 1 0 330.475 3.083 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C1COC(C)(C)OC1 ZINC000872062797 1296708717 /nfs/dbraw/zinc/70/87/17/1296708717.db2.gz QDYMNPBIFADHTA-JTQLQIEISA-N 1 0 326.418 3.119 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)CNC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000310056291 1297085013 /nfs/dbraw/zinc/08/50/13/1297085013.db2.gz KMZNSIQUKDPWIC-STQMWFEESA-N 1 0 337.420 3.467 20 5 EGBDRO CC(=O)Nc1cccc(C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)c1 ZINC000873012593 1297222224 /nfs/dbraw/zinc/22/22/24/1297222224.db2.gz VLULTCDDHHFPML-UHFFFAOYSA-N 1 0 327.384 3.460 20 5 EGBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)[C@@]12CCCO2 ZINC000873105068 1297274818 /nfs/dbraw/zinc/27/48/18/1297274818.db2.gz SJJPVMBHLGQJGM-KURKYZTESA-N 1 0 334.416 3.028 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H](O)Cc1cccc(F)c1 ZINC000873130049 1297287526 /nfs/dbraw/zinc/28/75/26/1297287526.db2.gz YHMDEVFMAZWEGW-INIZCTEOSA-N 1 0 332.375 3.044 20 5 EGBDRO CC(C)CC(=O)N1CCC(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000338546595 1297290698 /nfs/dbraw/zinc/29/06/98/1297290698.db2.gz NMPAPXKAQDUVDC-UHFFFAOYSA-N 1 0 347.459 3.311 20 5 EGBDRO C[C@@H]([NH2+]C[C@H]1CCN1C(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000724951109 1298350854 /nfs/dbraw/zinc/35/08/54/1298350854.db2.gz AESFQZBDNXURQX-IUODEOHRSA-N 1 0 335.404 3.255 20 5 EGBDRO CC[NH+]1CCN(c2ccc(Nc3cc(C)c([N+](=O)[O-])cn3)cc2)CC1 ZINC000746389555 1298578930 /nfs/dbraw/zinc/57/89/30/1298578930.db2.gz MFEWNBNCYZNXLZ-UHFFFAOYSA-N 1 0 341.415 3.184 20 5 EGBDRO C[N@@H+]1CCCC[C@H]1CCOC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000747576917 1298802908 /nfs/dbraw/zinc/80/29/08/1298802908.db2.gz XGKZNLOHDFXWEK-NSHDSACASA-N 1 0 326.780 3.279 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCC[C@H](c2ccnn2C)C1 ZINC000876626609 1298879240 /nfs/dbraw/zinc/87/92/40/1298879240.db2.gz DBDCWIZMMNMNKN-HNNXBMFYSA-N 1 0 328.416 3.325 20 5 EGBDRO O=[N+]([O-])c1ccn(CC[N@H+]2CC=C(c3c[nH]c4ccccc43)CC2)n1 ZINC000747959178 1298900696 /nfs/dbraw/zinc/90/06/96/1298900696.db2.gz KASWOGJYJFZYGH-UHFFFAOYSA-N 1 0 337.383 3.062 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCC[C@@H](CNC(=O)C(C)C)C1 ZINC000876654609 1298900545 /nfs/dbraw/zinc/90/05/45/1298900545.db2.gz KKAFHFNYQLYXII-INIZCTEOSA-N 1 0 347.459 3.196 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CCC(O)(C(F)(F)F)CC1 ZINC000877170852 1299192443 /nfs/dbraw/zinc/19/24/43/1299192443.db2.gz UVAXTURTKFMEFU-UHFFFAOYSA-N 1 0 332.322 3.101 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC[C@H]2Cc2ccc(F)cc2)c1 ZINC000749691780 1299256877 /nfs/dbraw/zinc/25/68/77/1299256877.db2.gz RYWQALJUVAMFFX-HKUYNNGSSA-N 1 0 344.386 3.474 20 5 EGBDRO CC[N@H+](CCc1cccs1)Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC000749947110 1299309239 /nfs/dbraw/zinc/30/92/39/1299309239.db2.gz FMDXXSFQYQDZRW-UHFFFAOYSA-N 1 0 345.428 3.232 20 5 EGBDRO COc1ccc2c(c1)CCC[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000750054894 1299332296 /nfs/dbraw/zinc/33/22/96/1299332296.db2.gz YVYMINZRRDYDFU-IBGZPJMESA-N 1 0 342.395 3.085 20 5 EGBDRO C[C@@H](C1CC1)[N@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C1CC1 ZINC000877966627 1299672877 /nfs/dbraw/zinc/67/28/77/1299672877.db2.gz QPSWPQPVYLZIGB-NSHDSACASA-N 1 0 328.372 3.408 20 5 EGBDRO Cc1c(NC(=O)CC[N@H+]2C[C@@H]3CC=CC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000879529006 1300584583 /nfs/dbraw/zinc/58/45/83/1300584583.db2.gz GINALYPVOUBDIE-GASCZTMLSA-N 1 0 329.400 3.130 20 5 EGBDRO O=C(NC1CCC([NH+]2CCCCC2)CC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000757684659 1300709369 /nfs/dbraw/zinc/70/93/69/1300709369.db2.gz RNVLYXIPRQDXGS-UHFFFAOYSA-N 1 0 349.406 3.261 20 5 EGBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@@H](CF)C1 ZINC000880235056 1300996979 /nfs/dbraw/zinc/99/69/79/1300996979.db2.gz XRKNAURDPQGTRX-NEPJUHHUSA-N 1 0 334.351 3.387 20 5 EGBDRO Cc1nn(C[NH+]2CCC(CC(C)C)CC2)c2ncc([N+](=O)[O-])cc12 ZINC000760398919 1301264736 /nfs/dbraw/zinc/26/47/36/1301264736.db2.gz QXAXIJQRZLSTDT-UHFFFAOYSA-N 1 0 331.420 3.364 20 5 EGBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761521694 1301489712 /nfs/dbraw/zinc/48/97/12/1301489712.db2.gz KAMKFENAXQNDRE-OLZOCXBDSA-N 1 0 325.840 3.458 20 5 EGBDRO COc1cc(NC[C@@H]2CCCC[N@@H+]2C2CC2)c([N+](=O)[O-])cc1OC ZINC000764941127 1302173649 /nfs/dbraw/zinc/17/36/49/1302173649.db2.gz MXEJAYMIOCCYDV-ZDUSSCGKSA-N 1 0 335.404 3.041 20 5 EGBDRO CC(C)c1cc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)on1 ZINC000765999741 1302365152 /nfs/dbraw/zinc/36/51/52/1302365152.db2.gz BUIIWRPRAJGTCW-UHFFFAOYSA-N 1 0 344.415 3.465 20 5 EGBDRO CN(CC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)C(=O)OC(C)(C)C ZINC000774170068 1303782716 /nfs/dbraw/zinc/78/27/16/1303782716.db2.gz UXAYGBBZVSWHKT-MRXNPFEDSA-N 1 0 349.431 3.429 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N(C)C2CC[NH+](C(C)C)CC2)c1C ZINC000887900071 1303974320 /nfs/dbraw/zinc/97/43/20/1303974320.db2.gz JHAFCEHEJURACR-UHFFFAOYSA-N 1 0 333.432 3.156 20 5 EGBDRO COc1ccc([C@H]2CCC[N@@H+]2C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000776274006 1304125326 /nfs/dbraw/zinc/12/53/26/1304125326.db2.gz FZGOPGOJPHIOCF-MOPGFXCFSA-N 1 0 342.395 3.474 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+](Cc2cccc(F)c2)C2CC2)cc1 ZINC000776274247 1304125699 /nfs/dbraw/zinc/12/56/99/1304125699.db2.gz CKGKIONOJYWJKD-SFHVURJKSA-N 1 0 330.359 3.432 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCC[C@@H]2Cc2ccc(F)cc2)cc1 ZINC000776277492 1304126233 /nfs/dbraw/zinc/12/62/33/1304126233.db2.gz PZPZCZRGIIZZCQ-MOPGFXCFSA-N 1 0 344.386 3.474 20 5 EGBDRO COc1ccccc1C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000776275783 1304126247 /nfs/dbraw/zinc/12/62/47/1304126247.db2.gz HUQWAFPKCKNBSG-SFHVURJKSA-N 1 0 342.395 3.301 20 5 EGBDRO CC1(C)C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)Cc2ccccc21 ZINC000776593495 1304177810 /nfs/dbraw/zinc/17/78/10/1304177810.db2.gz KGNYTDCOANWVJK-SFHVURJKSA-N 1 0 326.396 3.422 20 5 EGBDRO O=[N+]([O-])c1ccnn1C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2CCCC[C@H]21 ZINC000776773826 1304197365 /nfs/dbraw/zinc/19/73/65/1304197365.db2.gz BKVDHMCENSTOSG-GVDBMIGSSA-N 1 0 326.400 3.407 20 5 EGBDRO C[N@@H+]1CCCC[C@H]1CCOC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778166634 1304408059 /nfs/dbraw/zinc/40/80/59/1304408059.db2.gz RKPLMZSLWLRSKJ-ZDUSSCGKSA-N 1 0 342.342 3.104 20 5 EGBDRO Cc1ccc(C[N@@H+](C)CCN(C)C(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000779596806 1304585818 /nfs/dbraw/zinc/58/58/18/1304585818.db2.gz MQKSDSUTXURICG-UHFFFAOYSA-N 1 0 337.420 3.202 20 5 EGBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCC([NH2+]C2CCC2)CC1 ZINC000889835992 1304601849 /nfs/dbraw/zinc/60/18/49/1304601849.db2.gz HDFSETDIWRPNNW-UHFFFAOYSA-N 1 0 343.383 3.088 20 5 EGBDRO CN(CC1([NH+](C)C)CCC1)c1cc(Br)ccc1[N+](=O)[O-] ZINC000782425642 1304971268 /nfs/dbraw/zinc/97/12/68/1304971268.db2.gz MFCOUSLEPHTQCO-UHFFFAOYSA-N 1 0 342.237 3.278 20 5 EGBDRO C[C@@H](CCNC(=S)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCCCC1 ZINC000783792681 1305146012 /nfs/dbraw/zinc/14/60/12/1305146012.db2.gz QWSXTECOIWENEQ-ZDUSSCGKSA-N 1 0 336.461 3.146 20 5 EGBDRO Cc1cccc([C@H]2CC[N@H+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000784478461 1305248510 /nfs/dbraw/zinc/24/85/10/1305248510.db2.gz CESJHLOAXUGFIN-HKUYNNGSSA-N 1 0 326.396 3.426 20 5 EGBDRO COc1c(O)ccc(C[NH2+]CC2(c3ccc(F)cc3)CC2)c1[N+](=O)[O-] ZINC000892604431 1305465424 /nfs/dbraw/zinc/46/54/24/1305465424.db2.gz CSPISPBKBQRESB-UHFFFAOYSA-N 1 0 346.358 3.270 20 5 EGBDRO COc1c(O)ccc(C[NH2+][C@H]2CCc3cc(F)ccc32)c1[N+](=O)[O-] ZINC000892680630 1305504997 /nfs/dbraw/zinc/50/49/97/1305504997.db2.gz QAKCHXQUAXZCCW-AWEZNQCLSA-N 1 0 332.331 3.225 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](O)c1cccc(F)c1 ZINC000786814244 1305634705 /nfs/dbraw/zinc/63/47/05/1305634705.db2.gz YMSSHDFZTNXMGT-RUEYPURISA-N 1 0 330.359 3.460 20 5 EGBDRO COc1cccc([C@@H](O)C[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)c1 ZINC000786815386 1305634814 /nfs/dbraw/zinc/63/48/14/1305634814.db2.gz SFQYPVLZSKMIFW-SZJVNEJHSA-N 1 0 342.395 3.330 20 5 EGBDRO Cc1c(COC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)cccc1[N+](=O)[O-] ZINC000786883091 1305648732 /nfs/dbraw/zinc/64/87/32/1305648732.db2.gz PYWSEPMQYCDBNB-QGZVFWFLSA-N 1 0 332.400 3.353 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]CCCOCC1CCOCC1 ZINC000893029469 1305670004 /nfs/dbraw/zinc/67/00/04/1305670004.db2.gz GMJPNLTUEHRKJF-UHFFFAOYSA-N 1 0 342.823 3.171 20 5 EGBDRO Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC000894012159 1306175061 /nfs/dbraw/zinc/17/50/61/1306175061.db2.gz ZCVLCKFHRJXJFT-UHFFFAOYSA-N 1 0 342.399 3.172 20 5 EGBDRO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)c1F ZINC000790247570 1306281640 /nfs/dbraw/zinc/28/16/40/1306281640.db2.gz TTWRXVZHLPSHCA-STQMWFEESA-N 1 0 337.395 3.035 20 5 EGBDRO COc1c(O)ccc(CN2Cc3ccccc3O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000894593478 1308968839 /nfs/dbraw/zinc/96/88/39/1308968839.db2.gz TUEHIMJRMHBNOA-LBPRGKRZSA-N 1 0 344.367 3.092 20 5 EGBDRO COc1c(O)ccc(C[N@@H+]2CCC[C@]3(CCSC3)C2)c1[N+](=O)[O-] ZINC000894773851 1309063018 /nfs/dbraw/zinc/06/30/18/1309063018.db2.gz ZJCNQNWOJHRWNQ-INIZCTEOSA-N 1 0 338.429 3.028 20 5 EGBDRO O=C(NCCC[NH2+]C1CCCCC1)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000895129760 1309202092 /nfs/dbraw/zinc/20/20/92/1309202092.db2.gz FWWOGNFCFQDTRY-MSOLQXFVSA-N 1 0 345.443 3.127 20 5 EGBDRO C[C@H]1CSCC[N@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000792723424 1309217965 /nfs/dbraw/zinc/21/79/65/1309217965.db2.gz RYHMZLPFSOASPU-CYBMUJFWSA-N 1 0 332.429 3.101 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCC(CC(F)(F)F)CC2)c1 ZINC000792933466 1309263770 /nfs/dbraw/zinc/26/37/70/1309263770.db2.gz KXQGTOVBOVOVEH-CQSZACIVSA-N 1 0 332.322 3.293 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH+]2CCC(CC(F)(F)F)CC2)cc1 ZINC000792933406 1309264503 /nfs/dbraw/zinc/26/45/03/1309264503.db2.gz JPRKCQQKAXUWRJ-CQSZACIVSA-N 1 0 332.322 3.293 20 5 EGBDRO COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)[C@@H]1C ZINC000793009892 1309280902 /nfs/dbraw/zinc/28/09/02/1309280902.db2.gz NLCQPFGNPOEXIE-ZETOZRRWSA-N 1 0 340.807 3.316 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)c1C ZINC000895849809 1309559223 /nfs/dbraw/zinc/55/92/23/1309559223.db2.gz ZSSXSRKDJRNXQM-UHFFFAOYSA-N 1 0 347.459 3.404 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCCC[NH2+]C2CCCCC2)c1C ZINC000896444378 1309862996 /nfs/dbraw/zinc/86/29/96/1309862996.db2.gz HENCBYKUARXZCK-UHFFFAOYSA-N 1 0 333.432 3.254 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)c1C ZINC000896692472 1309975590 /nfs/dbraw/zinc/97/55/90/1309975590.db2.gz DSVMSSQHVSHJJA-HNNXBMFYSA-N 1 0 333.432 3.158 20 5 EGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@@H](CCO)Cc1ccccc1 ZINC000799350009 1310533466 /nfs/dbraw/zinc/53/34/66/1310533466.db2.gz LOKFJQQNPAIISR-INIZCTEOSA-N 1 0 334.803 3.332 20 5 EGBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H](O)c1cccc(Cl)c1 ZINC000801601803 1310972855 /nfs/dbraw/zinc/97/28/55/1310972855.db2.gz OMYJWMAOVPEBHY-QGZVFWFLSA-N 1 0 334.803 3.456 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000821881244 1320039979 /nfs/dbraw/zinc/03/99/79/1320039979.db2.gz IEWAGFULMWOCHM-AWEZNQCLSA-N 1 0 333.432 3.206 20 5 EGBDRO CC1(C)CC(NC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC(C)(C)[NH2+]1 ZINC000929685259 1328668599 /nfs/dbraw/zinc/66/85/99/1328668599.db2.gz HPYCGSNIJHTYQT-CVEARBPZSA-N 1 0 345.443 3.124 20 5 EGBDRO COc1ccc([C@@H](C[NH2+]CC[N+](=O)[O-])c2c[nH]c3ccccc32)cc1 ZINC000899858841 1317187232 /nfs/dbraw/zinc/18/72/32/1317187232.db2.gz CRTPNOWQOYRRFU-QGZVFWFLSA-N 1 0 339.395 3.175 20 5 EGBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1nc2ccc([N+](=O)[O-])cc2s1 ZINC000804812005 1317287467 /nfs/dbraw/zinc/28/74/67/1317287467.db2.gz CHUQMPVURFRLOD-YPMHNXCESA-N 1 0 332.429 3.268 20 5 EGBDRO CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000900840179 1317346322 /nfs/dbraw/zinc/34/63/22/1317346322.db2.gz YBEFCTRPVOFWSS-ZBFHGGJFSA-N 1 0 349.456 3.042 20 5 EGBDRO O=C(CC1=CCCCC1)N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001020027210 1317507294 /nfs/dbraw/zinc/50/72/94/1317507294.db2.gz RAIINHKSPUHHAO-QAQDUYKDSA-N 1 0 343.427 3.222 20 5 EGBDRO O=C(CC1=CCCCC1)N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001020027338 1317507451 /nfs/dbraw/zinc/50/74/51/1317507451.db2.gz WMKUJHUFKWYJKC-QAQDUYKDSA-N 1 0 343.427 3.222 20 5 EGBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1)C1=CCCCCC1 ZINC001020102073 1317544396 /nfs/dbraw/zinc/54/43/96/1317544396.db2.gz CQWJAJVZKUDAGZ-SHTZXODSSA-N 1 0 349.456 3.284 20 5 EGBDRO CC(=O)c1ccc([N+](=O)[O-])cc1NCCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000807991662 1317608732 /nfs/dbraw/zinc/60/87/32/1317608732.db2.gz OWHJMJVCPBIJFX-ZIAGYGMSSA-N 1 0 349.431 3.099 20 5 EGBDRO Cc1cc(C(F)(F)F)nn1CC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000903163978 1317666838 /nfs/dbraw/zinc/66/68/38/1317666838.db2.gz KBYHTBFXTPSHEM-LLVKDONJSA-N 1 0 342.321 3.469 20 5 EGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1cc(N(C)C)ccn1 ZINC000903200624 1317672684 /nfs/dbraw/zinc/67/26/84/1317672684.db2.gz AGUUCQBEFGEGAI-CQSZACIVSA-N 1 0 328.416 3.167 20 5 EGBDRO COc1cccc2cc(CN(CC[NH3+])c3ccc([N+](=O)[O-])cc3)oc21 ZINC000809734998 1317882897 /nfs/dbraw/zinc/88/28/97/1317882897.db2.gz POJWTZAMIYODLH-UHFFFAOYSA-N 1 0 341.367 3.315 20 5 EGBDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809876630 1317912379 /nfs/dbraw/zinc/91/23/79/1317912379.db2.gz HMIHBRUGHSZFTB-JTQLQIEISA-N 1 0 328.800 3.098 20 5 EGBDRO CCO[C@@H]1COCC[C@@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809980179 1317930197 /nfs/dbraw/zinc/93/01/97/1317930197.db2.gz IJSHKTBYQUTZOF-QWHCGFSZSA-N 1 0 349.214 3.185 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCC2CCC(F)(F)CC2)cc1 ZINC000905678946 1317980684 /nfs/dbraw/zinc/98/06/84/1317980684.db2.gz NOULGCAVDVWILF-HNNXBMFYSA-N 1 0 328.359 3.433 20 5 EGBDRO CCCN(CC)C[C@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000810261215 1317989516 /nfs/dbraw/zinc/98/95/16/1317989516.db2.gz CMHGPAJPLAXTJQ-INIZCTEOSA-N 1 0 348.491 3.274 20 5 EGBDRO CC[NH2+]Cc1cccc(NC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC000906627842 1318130520 /nfs/dbraw/zinc/13/05/20/1318130520.db2.gz PEHYOGGWPHIVAX-QZTJIDSGSA-N 1 0 339.395 3.447 20 5 EGBDRO CC(C)(O)[C@H]1CCC[N@@H+]1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000930062204 1328775245 /nfs/dbraw/zinc/77/52/45/1328775245.db2.gz UMQOQIKCAZUMSY-CYBMUJFWSA-N 1 0 343.221 3.093 20 5 EGBDRO C[N@@H+]1CC[C@@]2(CCN(c3c(Cl)cc([N+](=O)[O-])cc3Cl)C2)C1 ZINC000813634067 1318612205 /nfs/dbraw/zinc/61/22/05/1318612205.db2.gz CCCUHTWVVOIPRD-CQSZACIVSA-N 1 0 330.215 3.434 20 5 EGBDRO O=C(C=C1CCCCC1)N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001021880913 1318718918 /nfs/dbraw/zinc/71/89/18/1318718918.db2.gz ZCSHABFUONTVJT-CALCHBBNSA-N 1 0 343.427 3.222 20 5 EGBDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccccc2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815580617 1319021491 /nfs/dbraw/zinc/02/14/91/1319021491.db2.gz NJRAIYAXICBEJM-GOEBONIOSA-N 1 0 340.427 3.497 20 5 EGBDRO C[C@H]([NH2+]C[C@@H](CO)c1ccc(Cl)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815626894 1319031397 /nfs/dbraw/zinc/03/13/97/1319031397.db2.gz OETIJUCFRVIADD-FZMZJTMJSA-N 1 0 349.818 3.257 20 5 EGBDRO C[C@H]1C[C@@H](CO)CN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000817281730 1319312248 /nfs/dbraw/zinc/31/22/48/1319312248.db2.gz OJDOPBXYVREKCN-VHSXEESVSA-N 1 0 333.215 3.352 20 5 EGBDRO CC[C@H]1CCCN(C(C)(C)C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819046366 1319621912 /nfs/dbraw/zinc/62/19/12/1319621912.db2.gz MAGHKUOPUNPONF-YJBOKZPZSA-N 1 0 349.475 3.118 20 5 EGBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]C[C@@H](O)c2ccc(F)cc2)cc1 ZINC000819092159 1319632908 /nfs/dbraw/zinc/63/29/08/1319632908.db2.gz SSRYWVWRGQAZKV-GOSISDBHSA-N 1 0 332.375 3.380 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)CNC2CC[NH+](C3CCCCC3)CC2)c1 ZINC000819128952 1319643453 /nfs/dbraw/zinc/64/34/53/1319643453.db2.gz VLRMPCHCLPNPKX-LJQANCHMSA-N 1 0 347.459 3.015 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@H]2SCCc3ccccc32)cc1 ZINC000819132652 1319643827 /nfs/dbraw/zinc/64/38/27/1319643827.db2.gz GTGAMWSBFJGPPB-QZTJIDSGSA-N 1 0 344.436 3.248 20 5 EGBDRO CC[C@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)Oc1cccc(F)c1 ZINC000819141922 1319647612 /nfs/dbraw/zinc/64/76/12/1319647612.db2.gz MHXSIHUNMTVDMW-AEFFLSMTSA-N 1 0 348.374 3.215 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H]2CCOC3(CCCCC3)C2)c1 ZINC000819174047 1319656600 /nfs/dbraw/zinc/65/66/00/1319656600.db2.gz OAZKXNKEMNIFRH-WBVHZDCISA-N 1 0 334.416 3.100 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]C[C@H](O)c1cccc(F)c1 ZINC000819211719 1319668749 /nfs/dbraw/zinc/66/87/49/1319668749.db2.gz DJQSKAMOIIUBAM-INIZCTEOSA-N 1 0 338.766 3.253 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]C[C@@H](O)c1cccc(F)c1 ZINC000819211720 1319669432 /nfs/dbraw/zinc/66/94/32/1319669432.db2.gz DJQSKAMOIIUBAM-MRXNPFEDSA-N 1 0 338.766 3.253 20 5 EGBDRO CSc1cccc(F)c1C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819303672 1319692711 /nfs/dbraw/zinc/69/27/11/1319692711.db2.gz JGKVUEJSNHYTES-HNNXBMFYSA-N 1 0 336.388 3.279 20 5 EGBDRO CC(C)(C)c1ccncc1C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819366618 1319710068 /nfs/dbraw/zinc/71/00/68/1319710068.db2.gz BCJKQMGIAAATMW-KRWDZBQOSA-N 1 0 329.400 3.111 20 5 EGBDRO CC(C)(C)c1ccncc1C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819369636 1319711140 /nfs/dbraw/zinc/71/11/40/1319711140.db2.gz YKVPUTIDBCBGOF-KRWDZBQOSA-N 1 0 329.400 3.111 20 5 EGBDRO C[C@H]1C[C@H](C)C[NH+](CCCNc2nc3ccccn3c2[N+](=O)[O-])C1 ZINC000917074516 1319748847 /nfs/dbraw/zinc/74/88/47/1319748847.db2.gz WHYRZXPPYOGNAO-KBPBESRZSA-N 1 0 331.420 3.022 20 5 EGBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNc2nc3ccccn3c2[N+](=O)[O-])C1 ZINC000917075172 1319750385 /nfs/dbraw/zinc/75/03/85/1319750385.db2.gz IJYMJLMEIVSIIY-HUUCEWRRSA-N 1 0 345.447 3.413 20 5 EGBDRO Cc1c(NC(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000822531629 1320094712 /nfs/dbraw/zinc/09/47/12/1320094712.db2.gz HPKGIIPOAYNUIZ-AWEZNQCLSA-N 1 0 346.431 3.432 20 5 EGBDRO Cc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2F)[NH+](C)C)cc1 ZINC000824244135 1320241840 /nfs/dbraw/zinc/24/18/40/1320241840.db2.gz DVAIQBSTIDKYGD-QGZVFWFLSA-N 1 0 345.374 3.075 20 5 EGBDRO CC[NH+](CC)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000825568587 1320347148 /nfs/dbraw/zinc/34/71/48/1320347148.db2.gz SVTIQQBZGKSFDF-LLVKDONJSA-N 1 0 327.812 3.017 20 5 EGBDRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000825877678 1320367689 /nfs/dbraw/zinc/36/76/89/1320367689.db2.gz LSYDQYUTPWUKPW-HNNXBMFYSA-N 1 0 347.459 3.164 20 5 EGBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]C[C@@H](CO)CC1CC1 ZINC000827359094 1320447513 /nfs/dbraw/zinc/44/75/13/1320447513.db2.gz ILVDMUZVBZNUAC-JTQLQIEISA-N 1 0 333.215 3.400 20 5 EGBDRO C[N@H+](CCCCNC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1)C1CC1 ZINC000836365604 1320478433 /nfs/dbraw/zinc/47/84/33/1320478433.db2.gz GRZRACHOGXYCLK-UHFFFAOYSA-N 1 0 340.811 3.244 20 5 EGBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1cc(Cl)c(C)cc1[N+](=O)[O-] ZINC000836787867 1320534517 /nfs/dbraw/zinc/53/45/17/1320534517.db2.gz CEPHMHAFYWURAI-LBPRGKRZSA-N 1 0 341.839 3.407 20 5 EGBDRO COc1ccc(C(=O)OC[C@H]2CCCC[N@@H+]2C(C)C)cc1[N+](=O)[O-] ZINC000837343496 1320601253 /nfs/dbraw/zinc/60/12/53/1320601253.db2.gz ASKPIFCXQABOKJ-CQSZACIVSA-N 1 0 336.388 3.023 20 5 EGBDRO Cc1nn(C[N@@H+]2CCC[C@@]3(CCSC3)C2)c2cc([N+](=O)[O-])ccc12 ZINC000840142463 1321037336 /nfs/dbraw/zinc/03/73/36/1321037336.db2.gz GHHDZKISNHOSCN-QGZVFWFLSA-N 1 0 346.456 3.430 20 5 EGBDRO [NH3+][C@@H]1CN(Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1c1cccc(F)c1 ZINC000841103746 1321219064 /nfs/dbraw/zinc/21/90/64/1321219064.db2.gz KEGOYKGRQFAUOU-JKSUJKDBSA-N 1 0 349.793 3.314 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCc1ccc(CC[NH3+])cc1 ZINC000841191624 1321232370 /nfs/dbraw/zinc/23/23/70/1321232370.db2.gz CUWXLZVGYKPHDW-UHFFFAOYSA-N 1 0 342.399 3.035 20 5 EGBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000845544264 1321717026 /nfs/dbraw/zinc/71/70/26/1321717026.db2.gz IUYUCLWIKNFEEK-MNOVXSKESA-N 1 0 327.787 3.450 20 5 EGBDRO C[C@H](C(=O)OC[C@@H]1CC[N@@H+]1C(C)(C)C)c1ccc([N+](=O)[O-])cc1F ZINC000845730099 1321737316 /nfs/dbraw/zinc/73/73/16/1321737316.db2.gz GEJITUWACWJSND-AAEUAGOBSA-N 1 0 338.379 3.253 20 5 EGBDRO CC(C)(C)[N@@H+]1CC[C@@H]1COC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000845736499 1321739499 /nfs/dbraw/zinc/73/94/99/1321739499.db2.gz VAIVOMBJFGHBOS-CYBMUJFWSA-N 1 0 332.356 3.371 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1cnn(C[N@@H+]2CC[C@H](c3ccco3)C2)c1 ZINC000848478834 1321962147 /nfs/dbraw/zinc/96/21/47/1321962147.db2.gz UVDLNXHFYPARNX-AWEZNQCLSA-N 1 0 338.367 3.498 20 5 EGBDRO CSC[C@@H]1CCC[N@@H+]1Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000848482846 1321963524 /nfs/dbraw/zinc/96/35/24/1321963524.db2.gz WGPKJDQDZOJGRV-AWEZNQCLSA-N 1 0 332.429 3.243 20 5 EGBDRO O=C(OCc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000848774462 1322006635 /nfs/dbraw/zinc/00/66/35/1322006635.db2.gz JLGIEWLHRPYOQU-KRWDZBQOSA-N 1 0 340.379 3.160 20 5 EGBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000919965115 1322122870 /nfs/dbraw/zinc/12/28/70/1322122870.db2.gz OAFWYZAGUATPCD-JHJVBQTASA-N 1 0 336.392 3.281 20 5 EGBDRO [NH3+][C@@H]1CN(c2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CC[C@H]1F ZINC000853058217 1323269923 /nfs/dbraw/zinc/26/99/23/1323269923.db2.gz REJDXNTZVUYVRI-RKDXNWHRSA-N 1 0 341.692 3.143 20 5 EGBDRO O=[N+]([O-])c1ccc(Cl)c(CNC[C@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000853093285 1323278294 /nfs/dbraw/zinc/27/82/94/1323278294.db2.gz HTAUWSIIHYRSGF-CQSZACIVSA-N 1 0 337.851 3.460 20 5 EGBDRO C[C@H](CN(C)Cc1ccc(F)cc1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000860101226 1329146461 /nfs/dbraw/zinc/14/64/61/1329146461.db2.gz ULMPCHHIBIEFBO-LLVKDONJSA-N 1 0 341.383 3.079 20 5 EGBDRO O=[N+]([O-])c1cn(C[N@@H+]2CCC3(C2)CCCCC3)nc1-c1ccccn1 ZINC000853497527 1325104764 /nfs/dbraw/zinc/10/47/64/1325104764.db2.gz ANTXWAAOFDZLSU-UHFFFAOYSA-N 1 0 341.415 3.467 20 5 EGBDRO COc1cc(NC[C@H]2CC[N@@H+](C(C)(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000853746914 1325158150 /nfs/dbraw/zinc/15/81/50/1325158150.db2.gz LYFFWHBORPYPIY-GFCCVEGCSA-N 1 0 337.420 3.144 20 5 EGBDRO CC(C)[NH2+][C@H]1CCCN(c2cccc(Br)c2[N+](=O)[O-])C1 ZINC000856726452 1325514046 /nfs/dbraw/zinc/51/40/46/1325514046.db2.gz GXHUFPVIHYFJTH-NSHDSACASA-N 1 0 342.237 3.324 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]CCO[C@@H]2CCOC2)c2ccccc2)c1 ZINC000927080956 1327850156 /nfs/dbraw/zinc/85/01/56/1327850156.db2.gz NXJNCRNKMXRNET-RTBURBONSA-N 1 0 342.395 3.079 20 5 EGBDRO C[C@@H](NC(=O)c1ccc(CC[NH+](C)C)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000928244885 1328253727 /nfs/dbraw/zinc/25/37/27/1328253727.db2.gz FOARLQJAIYDYSG-CQSZACIVSA-N 1 0 341.411 3.190 20 5 EGBDRO O=C(NCCC[NH2+]C1CCCCC1)c1cc([N+](=O)[O-])ccc1Cl ZINC000865013470 1329661569 /nfs/dbraw/zinc/66/15/69/1329661569.db2.gz YEHTWHZPQGASKF-UHFFFAOYSA-N 1 0 339.823 3.290 20 5 EGBDRO C[C@H](COCC1CCCCC1)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000932420869 1329813238 /nfs/dbraw/zinc/81/32/38/1329813238.db2.gz JBOJNCMSNABVIU-RDTXWAMCSA-N 1 0 336.432 3.203 20 5 EGBDRO O=C(CC[N@H+](Cc1ccoc1)C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000934003892 1329939465 /nfs/dbraw/zinc/93/94/65/1329939465.db2.gz KTFBGILLQNQEQS-UHFFFAOYSA-N 1 0 329.356 3.181 20 5 EGBDRO COc1ccc(C[N@H+](CCCO)Cc2ccc([N+](=O)[O-])c(F)c2)cc1 ZINC000934506400 1329984287 /nfs/dbraw/zinc/98/42/87/1329984287.db2.gz OEHTVWOHBYODFA-UHFFFAOYSA-N 1 0 348.374 3.127 20 5 EGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H](CO)Cc1ccccc1 ZINC000866243115 1330084383 /nfs/dbraw/zinc/08/43/83/1330084383.db2.gz GBCLZSQOMDXAPS-ZBFHGGJFSA-N 1 0 346.402 3.106 20 5 EGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H](C)COCC(F)(F)F ZINC000866250376 1330085407 /nfs/dbraw/zinc/08/54/07/1330085407.db2.gz ZJKMGGHETSPWCV-ZJUUUORDSA-N 1 0 338.301 3.222 20 5 EGBDRO Cc1ccn2cc(C[NH2+][C@@H](C)Cc3ccc(F)cc3[N+](=O)[O-])nc2c1 ZINC000866260707 1330086878 /nfs/dbraw/zinc/08/68/78/1330086878.db2.gz WHBPAZGFNDEBRY-ZDUSSCGKSA-N 1 0 342.374 3.411 20 5 EGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H](CCO)c1ccccc1 ZINC000866271731 1330088457 /nfs/dbraw/zinc/08/84/57/1330088457.db2.gz PAZSADSDKHEVSE-RHSMWYFYSA-N 1 0 346.402 3.421 20 5 EGBDRO CCC(CC)(CCO)C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866275901 1330089358 /nfs/dbraw/zinc/08/93/58/1330089358.db2.gz IRSLUEPVDXCNMW-ZDUSSCGKSA-N 1 0 326.412 3.443 20 5 EGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H](CO)c1cccc(F)c1 ZINC000866297259 1330092434 /nfs/dbraw/zinc/09/24/34/1330092434.db2.gz HWCQZEIAAMIHSK-MEDUHNTESA-N 1 0 336.338 3.127 20 5 EGBDRO C[C@H]([NH2+]Cc1cc2c([nH]c1=O)CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000866640542 1330136866 /nfs/dbraw/zinc/13/68/66/1330136866.db2.gz IXOLGRHPRKAEMS-LBPRGKRZSA-N 1 0 327.384 3.425 20 5 EGBDRO CCCC(=O)N1CCC(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001029925938 1341122496 /nfs/dbraw/zinc/12/24/96/1341122496.db2.gz QYRDDWDWIKFEGE-UHFFFAOYSA-N 1 0 333.432 3.065 20 5 EGBDRO CCC(CC)C(=O)N1CC2(C1)CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C2 ZINC001072479944 1355305848 /nfs/dbraw/zinc/30/58/48/1355305848.db2.gz NOMYDZRUGFTINC-UHFFFAOYSA-N 1 0 345.443 3.065 20 5 EGBDRO O=C(N[C@H]1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1)c1ccco1 ZINC001034580409 1342626413 /nfs/dbraw/zinc/62/64/13/1342626413.db2.gz AMDNIDJYIYGRSK-SHTZXODSSA-N 1 0 343.383 3.019 20 5 EGBDRO C[C@@H]1C[NH2+]CCC[C@H]1Oc1cc([N+](=O)[O-])c(Br)cc1F ZINC001217988831 1373528156 /nfs/dbraw/zinc/52/81/56/1373528156.db2.gz LOSORGUTYJHIHT-PRHODGIISA-N 1 0 347.184 3.263 20 5 EGBDRO C[C@H]1CC[NH2+]CC[C@H]1Oc1cc([N+](=O)[O-])ccc1Br ZINC001218026749 1373541689 /nfs/dbraw/zinc/54/16/89/1373541689.db2.gz JUCDAFKUBOVYKH-JOYOIKCWSA-N 1 0 329.194 3.124 20 5 EGBDRO C[C@@H]1C[NH2+]CCC[C@H]1Oc1cc([N+](=O)[O-])ccc1Br ZINC001217984128 1373526522 /nfs/dbraw/zinc/52/65/22/1373526522.db2.gz DWWDKANAZDFCJD-BXKDBHETSA-N 1 0 329.194 3.124 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1nc(C(C)C)no1 ZINC001324416847 1387619354 /nfs/dbraw/zinc/61/93/54/1387619354.db2.gz JUNOYALVONTHLX-LCYFTJDESA-N 1 0 330.388 3.337 20 5 EGBDRO C=C/C(C)=C\CC(=O)N1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001202053185 1369677168 /nfs/dbraw/zinc/67/71/68/1369677168.db2.gz AYKSPSJIGFPHAM-NVNXTCNLSA-N 1 0 343.427 3.198 20 5 EGBDRO CC(C)c1ccc(C(=O)N[C@H]2CCCC[C@@H]2[NH+](C)C)cc1[N+](=O)[O-] ZINC001116708575 1370960389 /nfs/dbraw/zinc/96/03/89/1370960389.db2.gz CRRYCPCJIUISNJ-HOTGVXAUSA-N 1 0 333.432 3.321 20 5 EGBDRO Cc1cc(N2CC[NH+](C)CC2)ccc1Nc1ccccc1[N+](=O)[O-] ZINC001206165010 1370977713 /nfs/dbraw/zinc/97/77/13/1370977713.db2.gz XBXGTJMLYVWZTA-UHFFFAOYSA-N 1 0 326.400 3.399 20 5 EGBDRO O=C([C@H]1CCCC[N@@H+]1C1CCCC1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001117794419 1371086521 /nfs/dbraw/zinc/08/65/21/1371086521.db2.gz OEHTYIJLVOZRJJ-GOSISDBHSA-N 1 0 343.427 3.234 20 5 EGBDRO CCOC(=O)C[C@H]1CCC[N@@H+]1C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC001326162184 1388121608 /nfs/dbraw/zinc/12/16/08/1388121608.db2.gz JOFZHEBTUOQMKY-HFQYIWAZSA-N 1 0 332.400 3.416 20 5 EGBDRO Cc1c(C[NH2+]C[C@]2(O)CCC[C@H](C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC001119237797 1371287605 /nfs/dbraw/zinc/28/76/05/1371287605.db2.gz MHXSOWLUKJMVSH-ZFWWWQNUSA-N 1 0 346.349 3.476 20 5 EGBDRO C[NH+]1CCN(Cc2cccc(Nc3ccc(F)cc3[N+](=O)[O-])c2)CC1 ZINC001210953302 1372460105 /nfs/dbraw/zinc/46/01/05/1372460105.db2.gz GKVBEZVNLFIQIE-UHFFFAOYSA-N 1 0 344.390 3.225 20 5 EGBDRO C[C@H](NC(=O)C[NH3+])c1nc(-c2cc3ccccc3c3ccccc23)no1 ZINC001212020428 1372647620 /nfs/dbraw/zinc/64/76/20/1372647620.db2.gz GXCVGIYHVQTIHO-LBPRGKRZSA-N 1 0 346.390 3.179 20 5 EGBDRO CCCc1ccc(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)s1 ZINC001128327137 1373252249 /nfs/dbraw/zinc/25/22/49/1373252249.db2.gz CQTVCOQXSMQYCM-UHFFFAOYSA-N 1 0 347.440 3.128 20 5 EGBDRO CC(C)c1ccccc1C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001128864789 1373318218 /nfs/dbraw/zinc/31/82/18/1373318218.db2.gz LKCWJJHIABYPQJ-UHFFFAOYSA-N 1 0 341.411 3.238 20 5 EGBDRO Cc1ccc(-c2nnc(C[C@H]([NH3+])Cc3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC001217716761 1373494133 /nfs/dbraw/zinc/49/41/33/1373494133.db2.gz RCGIIEBHIZJDMA-OAHLLOKOSA-N 1 0 338.367 3.066 20 5 EGBDRO C[C@H](OCCC[C@H]1CCC[NH2+]C1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001217830386 1373505242 /nfs/dbraw/zinc/50/52/42/1373505242.db2.gz BQMMVPBWMZQDAG-QWHCGFSZSA-N 1 0 336.388 3.181 20 5 EGBDRO Cc1cc(O[C@H]2C[NH2+]CCC[C@H]2F)c([N+](=O)[O-])cc1Br ZINC001217981593 1373525266 /nfs/dbraw/zinc/52/52/66/1373525266.db2.gz QXNLREHRONXDRZ-MFKMUULPSA-N 1 0 347.184 3.135 20 5 EGBDRO C[C@@H]1C[NH2+]CCC[C@@H]1Oc1cc(Br)cc([N+](=O)[O-])c1 ZINC001217985719 1373526626 /nfs/dbraw/zinc/52/66/26/1373526626.db2.gz CLWVHIYYLFRYMM-RNCFNFMXSA-N 1 0 329.194 3.124 20 5 EGBDRO C[C@H]1C[NH2+]CCC[C@@H]1Oc1ccc(Br)cc1[N+](=O)[O-] ZINC001217987538 1373527463 /nfs/dbraw/zinc/52/74/63/1373527463.db2.gz NQDZEHJXZGNYGN-CABZTGNLSA-N 1 0 329.194 3.124 20 5 EGBDRO O=[N+]([O-])c1ccc(O[C@@H]2CCC23CC[NH2+]CC3)cc1Br ZINC001218086207 1373557367 /nfs/dbraw/zinc/55/73/67/1373557367.db2.gz ZCAAFSGJOTWEJG-CYBMUJFWSA-N 1 0 341.205 3.268 20 5 EGBDRO O=[N+]([O-])c1ccc(O[C@H]2CCC23CC[NH2+]CC3)cc1Br ZINC001218086208 1373557671 /nfs/dbraw/zinc/55/76/71/1373557671.db2.gz ZCAAFSGJOTWEJG-ZDUSSCGKSA-N 1 0 341.205 3.268 20 5 EGBDRO Cc1cc(O[C@@H]2CC[C@]23CC[NH2+]C3)c([N+](=O)[O-])cc1Br ZINC001218118669 1373564445 /nfs/dbraw/zinc/56/44/45/1373564445.db2.gz QEFQPWFFAQJYRF-ZIAGYGMSSA-N 1 0 341.205 3.187 20 5 EGBDRO O=[N+]([O-])c1cc(O[C@@H]2CCC[C@@H]3C[NH2+]C[C@@H]32)cc(C(F)(F)F)c1 ZINC001218144790 1373568546 /nfs/dbraw/zinc/56/85/46/1373568546.db2.gz ADZLVWPSIXIBCX-BIGNPOOSSA-N 1 0 330.306 3.381 20 5 EGBDRO CCC(C)(C)c1cc([N+](=O)[O-])c(O[C@@H]2CCC23C[NH2+]C3)c([N+](=O)[O-])c1 ZINC001218244849 1373582750 /nfs/dbraw/zinc/58/27/50/1373582750.db2.gz SNKIUJCISQVCLG-CQSZACIVSA-N 1 0 349.387 3.321 20 5 EGBDRO Cc1cc(Br)cc([N+](=O)[O-])c1O[C@@H]1C[C@@H]2CC[NH2+][C@H]2C1 ZINC001218250212 1373583750 /nfs/dbraw/zinc/58/37/50/1373583750.db2.gz LHHIVFHIQCFNAJ-WCQGTBRESA-N 1 0 341.205 3.185 20 5 EGBDRO O=[N+]([O-])c1cccc(OC2CCC3(C[NH2+]C3)CC2)c1Br ZINC001218261927 1373585721 /nfs/dbraw/zinc/58/57/21/1373585721.db2.gz AIPHOHLZWFADJO-UHFFFAOYSA-N 1 0 341.205 3.268 20 5 EGBDRO Cc1cc(Br)cc([N+](=O)[O-])c1O[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001218399672 1373607455 /nfs/dbraw/zinc/60/74/55/1373607455.db2.gz PXSYVOPDUAQGMZ-MWLCHTKSSA-N 1 0 329.194 3.185 20 5 EGBDRO CC(C)(C)c1cc([N+](=O)[O-])c(O[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]23)c([N+](=O)[O-])c1 ZINC001218464331 1373618919 /nfs/dbraw/zinc/61/89/19/1373618919.db2.gz GPXBHRVMXLCOBH-IXPVHAAZSA-N 1 0 349.387 3.177 20 5 EGBDRO CC1(C)C[C@H](Oc2c(Br)cccc2[N+](=O)[O-])CC[NH2+]1 ZINC001218475660 1373621479 /nfs/dbraw/zinc/62/14/79/1373621479.db2.gz MZWIEMPUKBDCJE-SECBINFHSA-N 1 0 329.194 3.267 20 5 EGBDRO O=c1cc(O[C@@H]2C[NH2+]Cc3ccccc32)c2cc([N+](=O)[O-])ccc2[nH]1 ZINC001218488587 1373624438 /nfs/dbraw/zinc/62/44/38/1373624438.db2.gz YNGKPNDUIGJIDH-QGZVFWFLSA-N 1 0 337.335 3.072 20 5 EGBDRO O=[N+]([O-])c1ccc2nc(O[C@H]3C[NH2+]Cc4ccccc43)sc2c1 ZINC001218489787 1373624688 /nfs/dbraw/zinc/62/46/88/1373624688.db2.gz VXTAWVVYMFOWMY-AWEZNQCLSA-N 1 0 327.365 3.428 20 5 EGBDRO CC(C)CC1(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)CCC1 ZINC001131141729 1373651087 /nfs/dbraw/zinc/65/10/87/1373651087.db2.gz KBPJLCJVRXAHSY-UHFFFAOYSA-N 1 0 333.432 3.017 20 5 EGBDRO COc1cc(O[C@H]2CC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC001225435836 1375110121 /nfs/dbraw/zinc/11/01/21/1375110121.db2.gz LQNZBWRXEWUGET-INIZCTEOSA-N 1 0 328.368 3.257 20 5 EGBDRO COc1cc(O[C@@H]2CC[N@@H+]([C@H](C)c3ccccn3)C2)ccc1[N+](=O)[O-] ZINC001225440192 1375111172 /nfs/dbraw/zinc/11/11/72/1375111172.db2.gz CRJNUWHPIMREIY-UKRRQHHQSA-N 1 0 343.383 3.213 20 5 EGBDRO Cc1cccc(O[C@H]2COCC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC001225635452 1375137160 /nfs/dbraw/zinc/13/71/60/1375137160.db2.gz GYVUMLXPNMNVJG-QGZVFWFLSA-N 1 0 342.395 3.183 20 5 EGBDRO CCOC(=O)c1c(C)n(C)c2ccc(O[C@H](C)C[N+](C)(C)C)cc21 ZINC001226039610 1375193516 /nfs/dbraw/zinc/19/35/16/1375193516.db2.gz SZRXEQWOSRPWAG-CYBMUJFWSA-N 1 0 333.452 3.137 20 5 EGBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Oc1c(O)cccc1[N+](=O)[O-] ZINC001226341814 1375242841 /nfs/dbraw/zinc/24/28/41/1375242841.db2.gz VHZAYVGBJSEJFH-GUYCJALGSA-N 1 0 328.368 3.200 20 5 EGBDRO COc1cc(O[C@@H](CC[NH+](C)C)c2cccs2)ncc1[N+](=O)[O-] ZINC001226581068 1375285130 /nfs/dbraw/zinc/28/51/30/1375285130.db2.gz KIPGDIWYFHYQSJ-LBPRGKRZSA-N 1 0 337.401 3.132 20 5 EGBDRO COCCC[NH+]1CCC(Oc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC001226803739 1375339157 /nfs/dbraw/zinc/33/91/57/1375339157.db2.gz AOONSURDRZOARV-UHFFFAOYSA-N 1 0 328.796 3.128 20 5 EGBDRO CCC(=CC(=O)NC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1)CC ZINC001226874949 1375350570 /nfs/dbraw/zinc/35/05/70/1375350570.db2.gz FIMROESCPZZJSI-UHFFFAOYSA-N 1 0 345.443 3.422 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1OC1CCN(c2cc[nH+]cc2)CC1 ZINC001227184352 1375403823 /nfs/dbraw/zinc/40/38/23/1375403823.db2.gz DMMLTHGYDWXJNJ-UHFFFAOYSA-N 1 0 329.356 3.046 20 5 EGBDRO Cc1ccc(O[C@H]2CCC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])n1 ZINC001227218551 1375407802 /nfs/dbraw/zinc/40/78/02/1375407802.db2.gz GHWUEFFQGSVQCU-INIZCTEOSA-N 1 0 327.384 3.342 20 5 EGBDRO Cc1ccc(O[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])n1 ZINC001227218555 1375408243 /nfs/dbraw/zinc/40/82/43/1375408243.db2.gz GHWUEFFQGSVQCU-MRXNPFEDSA-N 1 0 327.384 3.342 20 5 EGBDRO COC(=O)c1ccc(O[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)c([N+](=O)[O-])c1 ZINC001227295639 1375417377 /nfs/dbraw/zinc/41/73/77/1375417377.db2.gz OHPZUEKGYLSRIZ-FICVDOATSA-N 1 0 348.399 3.164 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)cc(O[C@H]2CC[C@H]([NH+]3CCOCC3)CC2)c1 ZINC001228257488 1375535708 /nfs/dbraw/zinc/53/57/08/1375535708.db2.gz JCRSKWDWSKRUOV-CTYIDZIISA-N 1 0 340.807 3.270 20 5 EGBDRO O=[N+]([O-])c1c(F)cc(F)cc1OC1CCN(c2cc[nH+]cc2)CC1 ZINC001228613002 1375616533 /nfs/dbraw/zinc/61/65/33/1375616533.db2.gz NHUDHMYJPCIBER-UHFFFAOYSA-N 1 0 335.310 3.316 20 5 EGBDRO C=C/C(C)=C\CC(=O)NC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001228701708 1375643552 /nfs/dbraw/zinc/64/35/52/1375643552.db2.gz FDFBTHSNXNOXCX-CHHVJCJISA-N 1 0 343.427 3.198 20 5 EGBDRO COC(=O)c1cc([N+](=O)[O-])ccc1O[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC001229059099 1375753293 /nfs/dbraw/zinc/75/32/93/1375753293.db2.gz IURWCGVUGJYNPT-NHAGDIPZSA-N 1 0 348.399 3.164 20 5 EGBDRO Cc1cc(OC[C@H]2CCC3(CC[NH+](C)CC3)O2)cc(C)c1[N+](=O)[O-] ZINC001229465385 1375841873 /nfs/dbraw/zinc/84/18/73/1375841873.db2.gz CGLFVOGQQFLCPF-OAHLLOKOSA-N 1 0 334.416 3.234 20 5 EGBDRO CC[N@@H+]1CC[C@@H](Oc2ccc3c(c2)oc2cc(O)ccc2c3=O)C1 ZINC001229516197 1375850087 /nfs/dbraw/zinc/85/00/87/1375850087.db2.gz ILEIGAOZTCIHOP-CQSZACIVSA-N 1 0 325.364 3.125 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1C[C@@H](C)Oc1cccc([C@H](C)[NH+](C)C)c1 ZINC001229626893 1375868440 /nfs/dbraw/zinc/86/84/40/1375868440.db2.gz NHVUXFCBUDMPBX-OLZOCXBDSA-N 1 0 332.404 3.190 20 5 EGBDRO Cc1ccc(O[C@@H](C)C[N+](C)(C)C)c(I)c1 ZINC001229989013 1375926168 /nfs/dbraw/zinc/92/61/68/1375926168.db2.gz CUWWFMMGDWMRAS-NSHDSACASA-N 1 0 334.221 3.073 20 5 EGBDRO Cc1cc(OC[C@H]2CCC3(CC[NH+](C)CC3)O2)cc([N+](=O)[O-])c1C ZINC001230471910 1376034430 /nfs/dbraw/zinc/03/44/30/1376034430.db2.gz VAMICFUAUREPKW-OAHLLOKOSA-N 1 0 334.416 3.234 20 5 EGBDRO Cc1cc(Br)c(O[C@H](C)C[N+](C)(C)C)cc1[N+](=O)[O-] ZINC001230982312 1376189754 /nfs/dbraw/zinc/18/97/54/1376189754.db2.gz ZTRGDXATKNQFDP-SNVBAGLBSA-N 1 0 332.218 3.139 20 5 EGBDRO COC(=O)[C@H]1C[N@H+](Cc2ccc3ccc4cccnc4c3n2)C[C@@H]1C ZINC001232228378 1376420038 /nfs/dbraw/zinc/42/00/38/1376420038.db2.gz QEDASQAXJAWDNF-GUYCJALGSA-N 1 0 335.407 3.024 20 5 EGBDRO Cc1cc(F)c(OC[C@@H]2CCC3(CC[NH+](C)CC3)O2)cc1[N+](=O)[O-] ZINC001234056795 1376761549 /nfs/dbraw/zinc/76/15/49/1376761549.db2.gz NGSIXSSNBMWMCN-ZDUSSCGKSA-N 1 0 338.379 3.065 20 5 EGBDRO CC(C)(C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC001135004906 1376840333 /nfs/dbraw/zinc/84/03/33/1376840333.db2.gz ZLKNVNQJSZVMRR-UHFFFAOYSA-N 1 0 347.459 3.407 20 5 EGBDRO CC(C)CCC(=O)N1CC2(C1)CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C2 ZINC001146980675 1378951399 /nfs/dbraw/zinc/95/13/99/1378951399.db2.gz CQNXADPHFBAGTN-UHFFFAOYSA-N 1 0 345.443 3.065 20 5 EGBDRO O=C(CCCC1CCCC1)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001152676804 1379968387 /nfs/dbraw/zinc/96/83/87/1379968387.db2.gz NAESUHVEZZVGFQ-UHFFFAOYSA-N 1 0 339.461 3.223 20 5 EGBDRO CN(CC1CC[NH+](C)CC1)C(=O)c1cccc2nc3ccccc3nc21 ZINC001153868355 1380146913 /nfs/dbraw/zinc/14/69/13/1380146913.db2.gz VCINUTTWLQYSFW-UHFFFAOYSA-N 1 0 348.450 3.197 20 5 EGBDRO C[C@@H]1C[NH2+]CCC[C@H]1CNc1cc([N+](=O)[O-])cc2c(Cl)ncnc12 ZINC001155029834 1380394582 /nfs/dbraw/zinc/39/45/82/1380394582.db2.gz NOOLWMSZBUXOOK-MNOVXSKESA-N 1 0 349.822 3.239 20 5 EGBDRO O=[N+]([O-])c1ccc2ccc(NCc3ccc4c(c3)CC[NH2+]C4)nc2c1 ZINC001155268118 1380431050 /nfs/dbraw/zinc/43/10/50/1380431050.db2.gz SLGIKXUMZVMISI-UHFFFAOYSA-N 1 0 334.379 3.401 20 5 EGBDRO O=[N+]([O-])c1cc2ccccc2nc1NCc1ccc2c(c1)CC[NH2+]C2 ZINC001155268520 1380431125 /nfs/dbraw/zinc/43/11/25/1380431125.db2.gz QRJODNLTTXYDIN-UHFFFAOYSA-N 1 0 334.379 3.401 20 5 EGBDRO O=[N+]([O-])c1c(Cl)c2ccccc2nc1N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC001155402332 1380446659 /nfs/dbraw/zinc/44/66/59/1380446659.db2.gz KDOLRPNZJQUSCF-BLLLJJGKSA-N 1 0 332.791 3.493 20 5 EGBDRO O=[N+]([O-])c1ccc2ccc(N[C@@H]3C[NH2+]Cc4ccsc43)nc2c1 ZINC001155561700 1380469105 /nfs/dbraw/zinc/46/91/05/1380469105.db2.gz OEFQSCDNCDGBHB-CQSZACIVSA-N 1 0 326.381 3.461 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)cnc1NCc1cccnc1C1CC[NH2+]CC1 ZINC001155994814 1380511780 /nfs/dbraw/zinc/51/17/80/1380511780.db2.gz GWHZRMXBVWEGDF-UHFFFAOYSA-N 1 0 347.806 3.117 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(NCC2C[NH+](Cc3ccccc3)C2)n1 ZINC001156399222 1380571391 /nfs/dbraw/zinc/57/13/91/1380571391.db2.gz QIXWZMHXUUPTTH-UHFFFAOYSA-N 1 0 326.400 3.151 20 5 EGBDRO C[NH+](C)C[C@@]12C[C@@H]1CN(c1ccc([N+](=O)[O-])c(-c3ccccc3)n1)C2 ZINC001156401757 1380572043 /nfs/dbraw/zinc/57/20/43/1380572043.db2.gz KVCSMJMKALOWRE-DNVCBOLYSA-N 1 0 338.411 3.045 20 5 EGBDRO [NH3+]Cc1cnc2c(ccn2-c2nc(Cl)cc(Cl)c2[N+](=O)[O-])c1 ZINC001156595166 1380598289 /nfs/dbraw/zinc/59/82/89/1380598289.db2.gz XUNLGSYRJNKZGJ-UHFFFAOYSA-N 1 0 338.154 3.094 20 5 EGBDRO C[C@H]1CCCC[N@@H+]1CCCNc1cc(/C=C/N(C)C)c([N+](=O)[O-])cn1 ZINC001156928253 1380731456 /nfs/dbraw/zinc/73/14/56/1380731456.db2.gz JPOUZSOJFMSFNT-JQVXPOPVSA-N 1 0 347.463 3.199 20 5 EGBDRO CC(C)[N@H+](C)[C@@H]1CCN(c2cc3ncnc(Cl)c3cc2[N+](=O)[O-])C1 ZINC001157009079 1380750102 /nfs/dbraw/zinc/75/01/02/1380750102.db2.gz DKWWXNPGSHSTJE-LLVKDONJSA-N 1 0 349.822 3.110 20 5 EGBDRO CCC[N@H+]1C[C@H]2CN(c3nc(Cl)c(Cl)cc3[N+](=O)[O-])C[C@H]2C1 ZINC001157689655 1381002845 /nfs/dbraw/zinc/00/28/45/1381002845.db2.gz IHNYUECWLGOIMF-AOOOYVTPSA-N 1 0 345.230 3.075 20 5 EGBDRO Cc1nc(-n2c(CCC[NH3+])nc3ccc(Cl)cc32)ccc1[N+](=O)[O-] ZINC001158135319 1381137672 /nfs/dbraw/zinc/13/76/72/1381137672.db2.gz YLPHSXVFWMBSAK-UHFFFAOYSA-N 1 0 345.790 3.182 20 5 EGBDRO COc1cc(C)nc(N[C@@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)c1[N+](=O)[O-] ZINC001158269123 1381179404 /nfs/dbraw/zinc/17/94/04/1381179404.db2.gz QVXDBJMPHSRINO-PXAZEXFGSA-N 1 0 336.436 3.262 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CCC2(CC1)[NH2+]Cc1ccccc12 ZINC001159026113 1381518454 /nfs/dbraw/zinc/51/84/54/1381518454.db2.gz MLGLTUGXOPJOMP-UHFFFAOYSA-N 1 0 344.802 3.242 20 5 EGBDRO O=[N+]([O-])c1cc(Nc2cccnc2OC2CC[NH2+]CC2)ccc1F ZINC001159241758 1381741342 /nfs/dbraw/zinc/74/13/42/1381741342.db2.gz FDAPXVUVTWTNAQ-UHFFFAOYSA-N 1 0 332.335 3.003 20 5 EGBDRO COc1cc(C)nc(NC2CC(C)(C)[NH+](C)C(C)(C)C2)c1[N+](=O)[O-] ZINC001159397346 1381785107 /nfs/dbraw/zinc/78/51/07/1381785107.db2.gz LABMQTMHXBSIHP-UHFFFAOYSA-N 1 0 336.436 3.370 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(N(CC[NH3+])C23CC4CC(CC(C4)C2)C3)n1 ZINC001159546508 1381824587 /nfs/dbraw/zinc/82/45/87/1381824587.db2.gz YSTBIVQPYKTAEO-UHFFFAOYSA-N 1 0 344.459 3.341 20 5 EGBDRO COc1ccc(Nc2ccc(N3CCC[C@H]([NH3+])C3)cc2)c([N+](=O)[O-])c1 ZINC001159987307 1381960162 /nfs/dbraw/zinc/96/01/62/1381960162.db2.gz WKEZIXQOTQIGQQ-ZDUSSCGKSA-N 1 0 342.399 3.275 20 5 EGBDRO C[C@H](C[NH3+])CN(Cc1ccccc1)c1ncc([N+](=O)[O-])cc1Cl ZINC001160660305 1382162837 /nfs/dbraw/zinc/16/28/37/1382162837.db2.gz JPHVEKQQYDPRRS-GFCCVEGCSA-N 1 0 334.807 3.245 20 5 EGBDRO C[N@@H+]1CCC[C@@H]1CCNc1cc([N+](=O)[O-])cc2c(Cl)ncnc12 ZINC001160968133 1382255999 /nfs/dbraw/zinc/25/59/99/1382255999.db2.gz LGBOXQARSCAMAY-SNVBAGLBSA-N 1 0 335.795 3.088 20 5 EGBDRO O=[N+]([O-])c1ccc2cnn(C[N@@H+]3CCC[C@@H]([C@H]4CCCCO4)C3)c2c1 ZINC001328553510 1388773472 /nfs/dbraw/zinc/77/34/72/1388773472.db2.gz PRJCYTPICOWKFE-CRAIPNDOSA-N 1 0 344.415 3.183 20 5 EGBDRO CCOc1nc(NC2CC[NH+](C(CC)CC)CC2)ccc1[N+](=O)[O-] ZINC001161098962 1382295606 /nfs/dbraw/zinc/29/56/06/1382295606.db2.gz SCRQTLRQIMZZPX-UHFFFAOYSA-N 1 0 336.436 3.453 20 5 EGBDRO O=[N+]([O-])c1c[nH]c2ccc(N[C@H]3CC[N@H+](CC4CCCC4)C3)nc21 ZINC001161186797 1382332775 /nfs/dbraw/zinc/33/27/75/1382332775.db2.gz SXCFSCRBVGXNFR-ZDUSSCGKSA-N 1 0 329.404 3.148 20 5 EGBDRO Cn1c(CNc2cc3c(cc2[N+](=O)[O-])C[NH2+]C3)ccc1C(F)(F)F ZINC001162755108 1382859786 /nfs/dbraw/zinc/85/97/86/1382859786.db2.gz WKMLIFWMDYRYGY-UHFFFAOYSA-N 1 0 340.305 3.167 20 5 EGBDRO COC(=O)c1cc([N+](=O)[O-])cc(-n2ccc3cc([C@H](C)[NH3+])ccc32)c1 ZINC001162908946 1382912384 /nfs/dbraw/zinc/91/23/84/1382912384.db2.gz SWEBKIQAQAKMDZ-NSHDSACASA-N 1 0 339.351 3.345 20 5 EGBDRO COc1c([N+](=O)[O-])cc(Cl)c(C)c1N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC001162982918 1382937627 /nfs/dbraw/zinc/93/76/27/1382937627.db2.gz OBWRWIJGSGSTMH-SWLSCSKDSA-N 1 0 325.796 3.262 20 5 EGBDRO O=[N+]([O-])c1ccc(NC[C@H]2CO[C@]3(C2)CCC[NH2+]C3)c2ccccc21 ZINC001163290353 1383013461 /nfs/dbraw/zinc/01/34/61/1383013461.db2.gz IHMTZGLNXYTCAV-LIRRHRJNSA-N 1 0 341.411 3.319 20 5 EGBDRO [NH3+]C[C@@H](Nc1ccc(-c2ccc([N+](=O)[O-])cc2)nn1)c1ccccc1 ZINC001163298142 1383014982 /nfs/dbraw/zinc/01/49/82/1383014982.db2.gz UZOLQWNNBYGKLX-QGZVFWFLSA-N 1 0 335.367 3.164 20 5 EGBDRO COc1cccc([C@@H](C[NH3+])Nc2ccc3cccc([N+](=O)[O-])c3n2)c1 ZINC001163306362 1383016895 /nfs/dbraw/zinc/01/68/95/1383016895.db2.gz NLBDZTOFTVFOLI-OAHLLOKOSA-N 1 0 338.367 3.264 20 5 EGBDRO c1cnc2c(c1)cc(N[C@@H]1CCO[C@]3(CC[NH2+]C3)C1)c1cccnc12 ZINC001163328942 1383023633 /nfs/dbraw/zinc/02/36/33/1383023633.db2.gz UIMRCXSGQVNQPG-FOIQADDNSA-N 1 0 334.423 3.106 20 5 EGBDRO CC[N+](C)(C)Cc1ccccc1N[C@H]1CCc2[nH]c(=O)ccc2C1 ZINC001163555472 1383077190 /nfs/dbraw/zinc/07/71/90/1383077190.db2.gz PAZGQMFAWSVBMO-KRWDZBQOSA-O 1 0 326.464 3.353 20 5 EGBDRO CC(C)(C)c1cnc(N[C@H]2CCCC[C@@]23C[NH2+]CCO3)c([N+](=O)[O-])c1 ZINC001163646837 1383094740 /nfs/dbraw/zinc/09/47/40/1383094740.db2.gz XNMVEJJJOPVDQA-MAUKXSAKSA-N 1 0 348.447 3.000 20 5 EGBDRO Cc1cc(Cl)c(N[C@H]2CCCC[C@@]23C[NH2+]CCO3)c([N+](=O)[O-])c1 ZINC001163654354 1383095873 /nfs/dbraw/zinc/09/58/73/1383095873.db2.gz YNADXAAEALGSSX-GOEBONIOSA-N 1 0 339.823 3.270 20 5 EGBDRO COc1ccc(O[C@H](C)CNc2cc3c(cc2[N+](=O)[O-])C[NH2+]C3)cc1 ZINC001164052097 1383150646 /nfs/dbraw/zinc/15/06/46/1383150646.db2.gz XGUUVOBIUGPNJG-GFCCVEGCSA-N 1 0 343.383 3.086 20 5 EGBDRO CCCC1(C(=O)NCCC[NH2+]Cc2csc([N+](=O)[O-])c2)CCC1 ZINC001164213451 1383166762 /nfs/dbraw/zinc/16/67/62/1383166762.db2.gz IBNDTVCNXVIXML-UHFFFAOYSA-N 1 0 339.461 3.223 20 5 EGBDRO CCCC1(C(=O)NCCC[NH2+]Cc2ccccc2[N+](=O)[O-])CCC1 ZINC001164234317 1383169257 /nfs/dbraw/zinc/16/92/57/1383169257.db2.gz UXILYSPKDCCQID-UHFFFAOYSA-N 1 0 333.432 3.161 20 5 EGBDRO C[C@]1(C[NH3+])CCCN(C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)CC1 ZINC001164241864 1383170470 /nfs/dbraw/zinc/17/04/70/1383170470.db2.gz FWTXUCXAQWWWNQ-ZDUSSCGKSA-N 1 0 348.781 3.143 20 5 EGBDRO CC/C(C)=C\C(=O)NCCC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001164447473 1383187610 /nfs/dbraw/zinc/18/76/10/1383187610.db2.gz LUYGNXBDKMGOEM-QINSGFPZSA-N 1 0 345.443 3.327 20 5 EGBDRO C[C@@H]1CC[C@H](C[NH3+])CN1c1ccc2c(ccc(Cl)c2[N+](=O)[O-])n1 ZINC001164468526 1383189833 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1 0 329.407 3.436 20 5 EGBDRO [NH3+]CCc1cn(-c2nccc3c2cccc3[N+](=O)[O-])c2ccc(O)cc12 ZINC001167984888 1383787763 /nfs/dbraw/zinc/78/77/63/1383787763.db2.gz VFWHUOOBVBYVFX-UHFFFAOYSA-N 1 0 348.362 3.294 20 5 EGBDRO O=[N+]([O-])c1cc2c(cc1NCc1cccc3c1OC(F)(F)O3)C[NH2+]C2 ZINC001168355717 1383881805 /nfs/dbraw/zinc/88/18/05/1383881805.db2.gz YKGQNOSUKLQTDA-UHFFFAOYSA-N 1 0 349.293 3.132 20 5 EGBDRO C[NH+](C)CC(C)(C)CNc1c(Br)cc(F)cc1[N+](=O)[O-] ZINC001168766116 1383995612 /nfs/dbraw/zinc/99/56/12/1383995612.db2.gz BLPXOLGRCRUYHD-UHFFFAOYSA-N 1 0 348.216 3.496 20 5 EGBDRO [NH3+]CCN(c1cccnc1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001168837200 1384027073 /nfs/dbraw/zinc/02/70/73/1384027073.db2.gz WAQISGDCLNAAEB-UHFFFAOYSA-N 1 0 326.278 3.105 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CCc2ccccc2Br)C1 ZINC001168960781 1384071836 /nfs/dbraw/zinc/07/18/36/1384071836.db2.gz HBRHTASATPBIHF-AAEUAGOBSA-N 1 0 327.222 3.027 20 5 EGBDRO CC(C)(C)OC(=O)c1ccc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001168964431 1384072683 /nfs/dbraw/zinc/07/26/83/1384072683.db2.gz SINYNSZWZDOFQQ-HOCLYGCPSA-N 1 0 334.416 3.177 20 5 EGBDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCN1Cc1ccccc1 ZINC001168966011 1384072843 /nfs/dbraw/zinc/07/28/43/1384072843.db2.gz FRJRVIHEZXKRIP-QXCFHYIPSA-N 1 0 331.460 3.075 20 5 EGBDRO CC(C)(C)OC(=O)c1cccc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001168965818 1384072957 /nfs/dbraw/zinc/07/29/57/1384072957.db2.gz COFHWNQKJPHHNB-GOEBONIOSA-N 1 0 334.416 3.177 20 5 EGBDRO COc1cccc(C(F)(F)F)c1C[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168969906 1384073729 /nfs/dbraw/zinc/07/37/29/1384073729.db2.gz GJVIGYUAOSPFJF-MNOVXSKESA-N 1 0 332.322 3.249 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2cc(Br)ccc2F)C1 ZINC001168972818 1384075040 /nfs/dbraw/zinc/07/50/40/1384075040.db2.gz BLZRMOJWIXIHHW-CABZTGNLSA-N 1 0 331.185 3.123 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CCc2ccc(OC(F)(F)F)cc2)C1 ZINC001168978124 1384076701 /nfs/dbraw/zinc/07/67/01/1384076701.db2.gz OOJXICNNVZZYNA-OLZOCXBDSA-N 1 0 332.322 3.163 20 5 EGBDRO Cc1c(F)cccc1CN1CCC([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168992771 1384080859 /nfs/dbraw/zinc/08/08/59/1384080859.db2.gz KOAUDPPOFGMGMX-MAUKXSAKSA-N 1 0 349.450 3.134 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2cncn2Cc2ccccc2Cl)C1 ZINC001168998163 1384082806 /nfs/dbraw/zinc/08/28/06/1384082806.db2.gz IWMPQCOIJLWNLW-DZGCQCFKSA-N 1 0 348.834 3.120 20 5 EGBDRO CC(=O)C1(c2ccccc2)CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169038007 1384097239 /nfs/dbraw/zinc/09/72/39/1384097239.db2.gz UZXBJKZLYKZBQL-WMZOPIPTSA-N 1 0 330.428 3.055 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCN([C@@H]3CCCc4ccccc43)CC2)C1 ZINC001169039978 1384098267 /nfs/dbraw/zinc/09/82/67/1384098267.db2.gz WNQLSJNJFDXYEQ-IMFGXOCKSA-N 1 0 343.471 3.127 20 5 EGBDRO CN(Cc1ccc(F)cc1)C1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169049138 1384100538 /nfs/dbraw/zinc/10/05/38/1384100538.db2.gz VZMXLPZCCOBEHL-APWZRJJASA-N 1 0 349.450 3.167 20 5 EGBDRO CC1(C)C[C@H](Nc2ncc3cccc([N+](=O)[O-])c3n2)C[C@](C)(C[NH3+])C1 ZINC001169144844 1384114102 /nfs/dbraw/zinc/11/41/02/1384114102.db2.gz NYHPYPDYGSPXSL-UGSOOPFHSA-N 1 0 343.431 3.494 20 5 EGBDRO CC(C)(C)c1ccc(NCc2ncn3c2C[NH2+]CCC3)c([N+](=O)[O-])c1 ZINC001169242410 1384126419 /nfs/dbraw/zinc/12/64/19/1384126419.db2.gz JRIAVWCBSIRAKG-UHFFFAOYSA-N 1 0 343.431 3.194 20 5 EGBDRO Cc1ccc2c(ccnc2N2CCCc3ccc(C[NH3+])nc32)c1[N+](=O)[O-] ZINC001169583377 1384161758 /nfs/dbraw/zinc/16/17/58/1384161758.db2.gz FLBCPEJWGFHMAF-UHFFFAOYSA-N 1 0 349.394 3.389 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+]C[C@@](C)(O)c2ccccc2)c([N+](=O)[O-])c1 ZINC001170298113 1384285487 /nfs/dbraw/zinc/28/54/87/1384285487.db2.gz FPFBBYJDFDHMML-AUUYWEPGSA-N 1 0 344.411 3.032 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+]CCCc2cc(C)ccn2)c([N+](=O)[O-])c1 ZINC001170304692 1384286403 /nfs/dbraw/zinc/28/64/03/1384286403.db2.gz FUVVYHHKHVWMIR-HNNXBMFYSA-N 1 0 343.427 3.460 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+][C@@H](C)CN2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC001170306399 1384287167 /nfs/dbraw/zinc/28/71/67/1384287167.db2.gz UOILWNUKQGQDNJ-HOTGVXAUSA-N 1 0 349.475 3.244 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+]C[C@@H](O)C2CCCCC2)c([N+](=O)[O-])c1 ZINC001170313518 1384288278 /nfs/dbraw/zinc/28/82/78/1384288278.db2.gz NRYXVOSKUDKZAZ-FZKQIMNGSA-N 1 0 336.432 3.065 20 5 EGBDRO COc1ccc(C[C@@H](C)n2cncc2C2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC001170351393 1384298074 /nfs/dbraw/zinc/29/80/74/1384298074.db2.gz FZDZTSVNPIAQOX-CYBMUJFWSA-N 1 0 344.415 3.071 20 5 EGBDRO COc1cc([N+](=O)[O-])c(-n2c(CC[NH3+])cc3ccccc32)cc1F ZINC001171304018 1384489777 /nfs/dbraw/zinc/48/97/77/1384489777.db2.gz BPLMKRSIMZVHAH-UHFFFAOYSA-N 1 0 329.331 3.188 20 5 EGBDRO CCOC(=O)CCCC[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172898930 1384873504 /nfs/dbraw/zinc/87/35/04/1384873504.db2.gz JSLSSZOSIGIFCP-INIZCTEOSA-N 1 0 334.416 3.165 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]Cc1nccnc1Cl)CC2 ZINC001172897371 1384873839 /nfs/dbraw/zinc/87/38/39/1384873839.db2.gz ZWNLVJVLBMIENI-ZDUSSCGKSA-N 1 0 332.791 3.075 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@@H](CO)Cc1ccccc1)CC2 ZINC001172895704 1384873847 /nfs/dbraw/zinc/87/38/47/1384873847.db2.gz HSAOBFIXGQSPAC-RBUKOAKNSA-N 1 0 340.423 3.035 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]Cc1ccccc1CO)CC2 ZINC001172899661 1384874347 /nfs/dbraw/zinc/87/43/47/1384874347.db2.gz BNGVSJORBHKVAS-GOSISDBHSA-N 1 0 326.396 3.124 20 5 EGBDRO C[C@](CO)([NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1ccccc1 ZINC001172902867 1384875002 /nfs/dbraw/zinc/87/50/02/1384875002.db2.gz MPAWKYLJFZYGPG-AZUAARDMSA-N 1 0 340.423 3.340 20 5 EGBDRO CC(C)CN1CC[C@H]([NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172903484 1384875201 /nfs/dbraw/zinc/87/52/01/1384875201.db2.gz GSGWHGVSDCRETF-ROUUACIJSA-N 1 0 331.460 3.162 20 5 EGBDRO CC1(C)C[N@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)[C@@](C)(CO)C1 ZINC001172905396 1384875384 /nfs/dbraw/zinc/87/53/84/1384875384.db2.gz RRYVNFUGKPKQIS-QFBILLFUSA-N 1 0 332.444 3.325 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]Cc1ccc3nccn3c1)CC2 ZINC001172907465 1384875513 /nfs/dbraw/zinc/87/55/13/1384875513.db2.gz FFZGOKLOZGFWSW-KRWDZBQOSA-N 1 0 336.395 3.280 20 5 EGBDRO CC[N@H+](CCn1ccnc1)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172911683 1384875974 /nfs/dbraw/zinc/87/59/74/1384875974.db2.gz DWHGRQNKRSPRKQ-QGZVFWFLSA-N 1 0 328.416 3.061 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]Cc1cnn3ccccc13)CC2 ZINC001172909682 1384876389 /nfs/dbraw/zinc/87/63/89/1384876389.db2.gz UWVIRMSXMOEANA-QGZVFWFLSA-N 1 0 336.395 3.280 20 5 EGBDRO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@H]1CCc3ccc([N+](=O)[O-])cc3CC1)C2 ZINC001172913628 1384877155 /nfs/dbraw/zinc/87/71/55/1384877155.db2.gz XXEANJBEKCQZNU-OKYOBFRVSA-N 1 0 343.471 3.447 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C[C@@H]2CCC[C@H]2F)c1F ZINC001173174652 1384931062 /nfs/dbraw/zinc/93/10/62/1384931062.db2.gz ADFYELASRLWLPN-GMXVVIOVSA-N 1 0 328.359 3.401 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+](C)C2CC(F)(F)C2)c1F ZINC001173187106 1384933314 /nfs/dbraw/zinc/93/33/14/1384933314.db2.gz WVWITSVLDFPHEP-VIFPVBQESA-N 1 0 332.322 3.403 20 5 EGBDRO CCOC1CC[NH+]([C@@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])CC1 ZINC001173189864 1384933754 /nfs/dbraw/zinc/93/37/54/1384933754.db2.gz NNSWNVXFHBLDPW-LBPRGKRZSA-N 1 0 340.395 3.174 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC1CN(Cc2ccccc2)C1 ZINC001173214572 1384937331 /nfs/dbraw/zinc/93/73/31/1384937331.db2.gz PICQZHONCPPCKV-INIZCTEOSA-N 1 0 339.439 3.247 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCc1nc2ccccc2n1C ZINC001173215407 1384937504 /nfs/dbraw/zinc/93/75/04/1384937504.db2.gz WJWLMVQTINWIPR-AWEZNQCLSA-N 1 0 338.411 3.245 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CCN1C(=O)OC(C)(C)C ZINC001173217802 1384937589 /nfs/dbraw/zinc/93/75/89/1384937589.db2.gz MGJCWDSHYGXAQL-XJKSGUPXSA-N 1 0 349.431 3.125 20 5 EGBDRO COc1cccc([C@H](CCO)[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001173215729 1384937738 /nfs/dbraw/zinc/93/77/38/1384937738.db2.gz ZAQHSEZCDCSFHG-KUHUBIRLSA-N 1 0 344.411 3.248 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](CCO)c1ccc(F)cc1 ZINC001173219028 1384937804 /nfs/dbraw/zinc/93/78/04/1384937804.db2.gz VGNHYFXZEHJILB-FZKQIMNGSA-N 1 0 332.375 3.378 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1(c2cccc(F)c2)COC1 ZINC001173219145 1384938167 /nfs/dbraw/zinc/93/81/67/1384938167.db2.gz XMMQSEXLAWCTSD-ZDUSSCGKSA-N 1 0 330.359 3.180 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1CCN(c2cccnc2)CC1 ZINC001173219874 1384938404 /nfs/dbraw/zinc/93/84/04/1384938404.db2.gz QAPMEYSZTCAPTK-HNNXBMFYSA-N 1 0 340.427 3.179 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](CCO)c1ccc(F)cc1 ZINC001173219029 1384938511 /nfs/dbraw/zinc/93/85/11/1384938511.db2.gz VGNHYFXZEHJILB-SCLBCKFNSA-N 1 0 332.375 3.378 20 5 EGBDRO COC(=O)[C@H]1C2CCC(CC2)[C@@H]1[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173230168 1384940792 /nfs/dbraw/zinc/94/07/92/1384940792.db2.gz RKNIOQPCGQASCH-BCCVKKQTSA-N 1 0 346.427 3.093 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1ccc2c(c1)OCO2 ZINC001173232894 1384941755 /nfs/dbraw/zinc/94/17/55/1384941755.db2.gz JAUXTZGFXMXMGW-CYBMUJFWSA-N 1 0 328.368 3.387 20 5 EGBDRO O=C([C@H]1CC[N@@H+](C2CCCCC2)C1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001318949871 1385894084 /nfs/dbraw/zinc/89/40/84/1385894084.db2.gz QMQOKEIAWWWNOP-HNNXBMFYSA-N 1 0 343.427 3.092 20 5 EGBDRO CC(C)CC(=O)NCCCCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001177789582 1386045638 /nfs/dbraw/zinc/04/56/38/1386045638.db2.gz PDBYEZGQUACPBF-UHFFFAOYSA-N 1 0 335.448 3.407 20 5 EGBDRO O=C(C=C1CCC1)NCCCCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001178170990 1386149121 /nfs/dbraw/zinc/14/91/21/1386149121.db2.gz NZGNLWJYSZQENM-UHFFFAOYSA-N 1 0 345.443 3.471 20 5 EGBDRO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CC[C@H]3CCCC[C@@H]3C1)OCCO2 ZINC001320475298 1386620425 /nfs/dbraw/zinc/62/04/25/1386620425.db2.gz LIOMYOPYEBCPAP-ZIAGYGMSSA-N 1 0 332.400 3.378 20 5 EGBDRO Cn1cc(-c2ccc(C[NH2+]CCc3ccccc3[N+](=O)[O-])cc2)cn1 ZINC001321067893 1386798972 /nfs/dbraw/zinc/79/89/72/1386798972.db2.gz SSYZGPOOTJQSHP-UHFFFAOYSA-N 1 0 336.395 3.328 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](C)c1nc(C(C)(C)C)cs1 ZINC001330654462 1389485324 /nfs/dbraw/zinc/48/53/24/1389485324.db2.gz JFICUIBUXJENAA-SNVBAGLBSA-N 1 0 337.449 3.205 20 5 EGBDRO C[NH+](C)[C@@H]1CCC[C@H]1Nc1ncnc2c(Cl)cc([N+](=O)[O-])cc12 ZINC001331910621 1389906938 /nfs/dbraw/zinc/90/69/38/1389906938.db2.gz HDSCXRCEWHJDHF-CHWSQXEVSA-N 1 0 335.795 3.086 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H](C)CC(=O)OC(C)(C)C ZINC001333320235 1390283428 /nfs/dbraw/zinc/28/34/28/1390283428.db2.gz CVCPNOBPFKVHCA-NWDGAFQWSA-N 1 0 338.404 3.374 20 5 EGBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC001333467758 1390311586 /nfs/dbraw/zinc/31/15/86/1390311586.db2.gz RTFWLUHVKUOQFT-ZDUSSCGKSA-N 1 0 337.383 3.246 20 5 EGBDRO CC(C)[N@H+](C)C[C@H](C)Nc1ncnc2c(Cl)cc([N+](=O)[O-])cc12 ZINC001333725236 1390385131 /nfs/dbraw/zinc/38/51/31/1390385131.db2.gz KHUUORBFEZIEPD-JTQLQIEISA-N 1 0 337.811 3.332 20 5 EGBDRO CC1CC[NH+](CCc2nnc(CCc3cccc([N+](=O)[O-])c3)o2)CC1 ZINC001341570138 1390504181 /nfs/dbraw/zinc/50/41/81/1390504181.db2.gz GBPDLCQKBXLJSM-UHFFFAOYSA-N 1 0 344.415 3.037 20 5 EGBDRO C[C@H](COc1ccccc1F)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC001343916508 1390744075 /nfs/dbraw/zinc/74/40/75/1390744075.db2.gz MLIPSONOUPJODM-NEPJUHHUSA-N 1 0 333.363 3.434 20 5 EGBDRO C[C@H](NC(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC001344790317 1390815105 /nfs/dbraw/zinc/81/51/05/1390815105.db2.gz VFFVNXSADQBSTD-DCGLDWPTSA-N 1 0 327.384 3.108 20 5 EGBDRO CC[N@@H+]1CCC[C@H](CNc2ncnc3c(Cl)cc([N+](=O)[O-])cc23)C1 ZINC001350441314 1391464675 /nfs/dbraw/zinc/46/46/75/1391464675.db2.gz QXJGDUAGNDZFHC-LLVKDONJSA-N 1 0 349.822 3.335 20 5 EGBDRO O=[N+]([O-])c1cnc(N2CCCN(c3cc[nH+]cc3)CC2)c2ccccc21 ZINC001352066698 1391754995 /nfs/dbraw/zinc/75/49/95/1391754995.db2.gz SGRFDTGOPFNIOY-UHFFFAOYSA-N 1 0 349.394 3.255 20 5 EGBDRO CC[N@H+](CCNC(=O)C(C)(C)C(C)C)Cc1ccc([N+](=O)[O-])cc1 ZINC001753082319 1440294512 /nfs/dbraw/zinc/29/45/12/1440294512.db2.gz GJORSBWCYMEPRQ-UHFFFAOYSA-N 1 0 335.448 3.215 20 5 EGBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1c1ccc2c(ccc(Cl)c2[N+](=O)[O-])n1 ZINC001164643228 719212905 /nfs/dbraw/zinc/21/29/05/719212905.db2.gz YKEIXHRAAOZGFZ-GHMZBOCLSA-N 1 0 334.807 3.325 20 5 EGBDRO O=[N+]([O-])c1cccc2ccc(N3CC4(C3)CC[N@H+](CC3CC3)C4)nc21 ZINC001164771982 721287009 /nfs/dbraw/zinc/28/70/09/721287009.db2.gz BXKJXNNKWCKOEV-UHFFFAOYSA-N 1 0 338.411 3.065 20 5 EGBDRO O=[N+]([O-])c1cnc(N2CC[NH+](C3CCCC3)CC2)c2ccccc21 ZINC001165028250 721855712 /nfs/dbraw/zinc/85/57/12/721855712.db2.gz LQNBHDNYYAUMIG-UHFFFAOYSA-N 1 0 326.400 3.208 20 5 EGBDRO C[N@H+](CCc1ccccc1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000051999167 214112007 /nfs/dbraw/zinc/11/20/07/214112007.db2.gz YACXLKMUPRBUQO-UHFFFAOYSA-N 1 0 328.368 3.136 20 5 EGBDRO CC[C@H]([NH2+]CCNC(=O)c1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000178453777 529603524 /nfs/dbraw/zinc/60/35/24/529603524.db2.gz FICLDKXHRVKXSD-KRWDZBQOSA-N 1 0 345.374 3.205 20 5 EGBDRO COc1cc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)ccc1O ZINC000102176066 219190068 /nfs/dbraw/zinc/19/00/68/219190068.db2.gz KHADTZHLEVMVEV-UHFFFAOYSA-N 1 0 328.368 3.474 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)COc2ccccc2F)cc1[N+](=O)[O-] ZINC000181807111 234330288 /nfs/dbraw/zinc/33/02/88/234330288.db2.gz WWDRYSOZLGAQKV-HIFRSBDPSA-N 1 0 348.374 3.133 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)N2C[C@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000181821707 234338399 /nfs/dbraw/zinc/33/83/99/234338399.db2.gz SHDWHNWBYFKQJX-XRGAULLZSA-N 1 0 347.459 3.447 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@H]3CCCC[C@@H]3O)cs2)c1 ZINC000074371044 216480890 /nfs/dbraw/zinc/48/08/90/216480890.db2.gz DQKWJJKJUDGHOO-GJZGRUSLSA-N 1 0 333.413 3.111 20 5 EGBDRO COc1ccc([C@H](O)C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000192638223 239813816 /nfs/dbraw/zinc/81/38/16/239813816.db2.gz HBPUEIFTZLFETG-RTBURBONSA-N 1 0 342.395 3.304 20 5 EGBDRO C[C@@H](NC(=O)N[C@@H](C)C[NH+]1CCCCCC1)c1ccccc1[N+](=O)[O-] ZINC000361532237 296084896 /nfs/dbraw/zinc/08/48/96/296084896.db2.gz WQYHLHIYHWZJRT-LSDHHAIUSA-N 1 0 348.447 3.220 20 5 EGBDRO CCCCNC(=O)c1ccc(C[NH2+]Cc2ccccc2[N+](=O)[O-])cc1 ZINC000236799790 242362032 /nfs/dbraw/zinc/36/20/32/242362032.db2.gz AMIULDCRBBHGIM-UHFFFAOYSA-N 1 0 341.411 3.415 20 5 EGBDRO CNC(=O)c1ccc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000079122108 217196272 /nfs/dbraw/zinc/19/62/72/217196272.db2.gz COKCQYSRPITREI-CYBMUJFWSA-N 1 0 327.384 3.114 20 5 EGBDRO CC(C)CC[NH+]1CCC(CNC(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000079655099 217247226 /nfs/dbraw/zinc/24/72/26/217247226.db2.gz PEVZXYRSQXBPNS-UHFFFAOYSA-N 1 0 347.459 3.012 20 5 EGBDRO CCC[NH+]1CCC(Nc2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000081941347 217455638 /nfs/dbraw/zinc/45/56/38/217455638.db2.gz QZKSGEJEUOYZMS-UHFFFAOYSA-N 1 0 343.225 3.039 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCC[C@H](c2ccnn2C)C1 ZINC000376079140 168864472 /nfs/dbraw/zinc/86/44/72/168864472.db2.gz HAEHBUJXDSQKMI-DZGCQCFKSA-N 1 0 344.415 3.153 20 5 EGBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000085637886 217681227 /nfs/dbraw/zinc/68/12/27/217681227.db2.gz YFNBFVQMKFPWTJ-CQSZACIVSA-N 1 0 334.420 3.160 20 5 EGBDRO CCC(CC)(CO)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000265262041 247349124 /nfs/dbraw/zinc/34/91/24/247349124.db2.gz RFUNMRHNFGVFJG-UHFFFAOYSA-N 1 0 335.429 3.359 20 5 EGBDRO CCn1cnnc1[C@@H]1CCC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000266549364 248355430 /nfs/dbraw/zinc/35/54/30/248355430.db2.gz SZVFQDZAALLISI-UONOGXRCSA-N 1 0 329.404 3.147 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H]([NH+]3[C@@H](C)CC[C@@H]3C)C2)c1 ZINC000408232150 169166017 /nfs/dbraw/zinc/16/60/17/169166017.db2.gz RQPXBGXGKGPFFK-JYJNAYRXSA-N 1 0 345.443 3.381 20 5 EGBDRO C[C@@H]1CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C[C@@H]1n1ccnc1 ZINC000091959985 218094918 /nfs/dbraw/zinc/09/49/18/218094918.db2.gz QXCFVDDCZXEJEN-VVEVLUTRSA-N 1 0 326.400 3.388 20 5 EGBDRO CC(C)C(=O)NC[C@H]1CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000092706055 218159360 /nfs/dbraw/zinc/15/93/60/218159360.db2.gz CGIZVHJGUULCTJ-YXMGTMDOSA-N 1 0 345.443 3.092 20 5 EGBDRO CSC[C@H]1CCC[N@@H+]1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000093760644 218246476 /nfs/dbraw/zinc/24/64/76/218246476.db2.gz UDZXXGMXWQBUJF-MRXNPFEDSA-N 1 0 346.456 3.323 20 5 EGBDRO COC(=O)C1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000159195643 533294474 /nfs/dbraw/zinc/29/44/74/533294474.db2.gz PQQTXKFGVZOOFN-UHFFFAOYSA-N 1 0 344.367 3.240 20 5 EGBDRO COc1ccc(-c2ccc(C[NH2+]C3CCC(O)CC3)o2)c([N+](=O)[O-])c1 ZINC000237424201 141002150 /nfs/dbraw/zinc/00/21/50/141002150.db2.gz WQBMVCDMYJJLIX-UHFFFAOYSA-N 1 0 346.383 3.257 20 5 EGBDRO CC[N@@H+]1C[C@H](C)N(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H]1C ZINC000346189486 141175983 /nfs/dbraw/zinc/17/59/83/141175983.db2.gz JOGHFURJQLIIQK-KBPBESRZSA-N 1 0 344.415 3.164 20 5 EGBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000346212355 141181546 /nfs/dbraw/zinc/18/15/46/141181546.db2.gz WYSMVZIFRSGNNK-RYUDHWBXSA-N 1 0 339.823 3.098 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+](CCCO)Cc1ccccc1 ZINC000353330462 141289062 /nfs/dbraw/zinc/28/90/62/141289062.db2.gz KTOBZBACBXONTJ-WDZFZDKYSA-N 1 0 326.396 3.493 20 5 EGBDRO C[C@H](NC(=O)Nc1ccn2ccnc2c1)c1cccc([N+](=O)[O-])c1 ZINC000353346820 141292112 /nfs/dbraw/zinc/29/21/12/141292112.db2.gz ICHWJDZXAITJIE-NSHDSACASA-N 1 0 325.328 3.125 20 5 EGBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000171446472 144003796 /nfs/dbraw/zinc/00/37/96/144003796.db2.gz UKWJMKMVBGBJPE-AWEZNQCLSA-N 1 0 345.424 3.120 20 5 EGBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000172153920 144016137 /nfs/dbraw/zinc/01/61/37/144016137.db2.gz ZSBWCGRTAILLON-GOEBONIOSA-N 1 0 348.447 3.220 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CCC[C@H]1C[NH+]1CCCC1 ZINC000175158523 144058651 /nfs/dbraw/zinc/05/86/51/144058651.db2.gz UORXJLUNJZQNSG-KRWDZBQOSA-N 1 0 333.432 3.054 20 5 EGBDRO C[C@H]([NH2+]Cc1ccc(Cn2cncn2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000178641388 144073727 /nfs/dbraw/zinc/07/37/27/144073727.db2.gz KLKBMEQSZADJTN-AWEZNQCLSA-N 1 0 337.383 3.085 20 5 EGBDRO COc1cccc(NC[C@H](c2cccc(F)c2)[NH+](C)C)c1[N+](=O)[O-] ZINC000185102318 144104594 /nfs/dbraw/zinc/10/45/94/144104594.db2.gz BIWKTETZYBFQQA-OAHLLOKOSA-N 1 0 333.363 3.457 20 5 EGBDRO COc1cccc(NC[C@H](c2ccc(F)cc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000185213045 144107279 /nfs/dbraw/zinc/10/72/79/144107279.db2.gz OAYHRWQKNNXJEM-OAHLLOKOSA-N 1 0 333.363 3.457 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCC[C@H](C)C1 ZINC000185260372 144108936 /nfs/dbraw/zinc/10/89/36/144108936.db2.gz TVFNICGMKXFKCL-ZDUSSCGKSA-N 1 0 335.404 3.054 20 5 EGBDRO CCOC(=O)C[C@@](C)([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)C(C)C ZINC000186691250 144141198 /nfs/dbraw/zinc/14/11/98/144141198.db2.gz GPYVHDBTNYPFMT-QGZVFWFLSA-N 1 0 338.404 3.061 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC1(C(=O)N(C)C)CCCC1 ZINC000344889554 144237636 /nfs/dbraw/zinc/23/76/36/144237636.db2.gz WNHBPIQMCDHMMI-PTNGSMBKSA-N 1 0 345.443 3.236 20 5 EGBDRO CC(C)[N@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000351536646 144275597 /nfs/dbraw/zinc/27/55/97/144275597.db2.gz NRCNOTQGUCEBTH-UHFFFAOYSA-N 1 0 334.157 3.040 20 5 EGBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000351617822 144288244 /nfs/dbraw/zinc/28/82/44/144288244.db2.gz CTZPTHSRQBHHMA-GFCCVEGCSA-N 1 0 338.383 3.120 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)N2C[C@H](C)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000245839222 292246505 /nfs/dbraw/zinc/24/65/05/292246505.db2.gz BYHVBNKWNZXEDL-NFAWXSAZSA-N 1 0 333.432 3.058 20 5 EGBDRO Nc1ccc([N+](=O)[O-])c(NC[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000193541814 153294619 /nfs/dbraw/zinc/29/46/19/153294619.db2.gz SHUIXEJEYONMRE-OAHLLOKOSA-N 1 0 326.400 3.111 20 5 EGBDRO CC[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(C)cc1 ZINC000195180016 153386609 /nfs/dbraw/zinc/38/66/09/153386609.db2.gz IHGJLDUREURORR-INIZCTEOSA-N 1 0 327.384 3.243 20 5 EGBDRO Cc1ccc(C(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000303485319 154045182 /nfs/dbraw/zinc/04/51/82/154045182.db2.gz PDMCEFZRQMZIDB-HNNXBMFYSA-N 1 0 341.411 3.154 20 5 EGBDRO Cc1cc(C(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000303454574 154046288 /nfs/dbraw/zinc/04/62/88/154046288.db2.gz KIUGHRMJSNZEKR-HNNXBMFYSA-N 1 0 341.411 3.154 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000337353270 154302274 /nfs/dbraw/zinc/30/22/74/154302274.db2.gz BFHRVKZYOPYPAU-KGLIPLIRSA-N 1 0 334.420 3.288 20 5 EGBDRO Cn1cnc([N+](=O)[O-])c1Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000340126356 155106672 /nfs/dbraw/zinc/10/66/72/155106672.db2.gz LPBHGVOUEPAEHQ-UHFFFAOYSA-N 1 0 329.404 3.100 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1cn2c(n1)SCC2 ZINC000344755081 155849854 /nfs/dbraw/zinc/84/98/54/155849854.db2.gz BNNQMVHTJMFOPY-UKTHLTGXSA-N 1 0 344.440 3.133 20 5 EGBDRO C[NH+](C)CCN(Cc1ccc([N+](=O)[O-])cc1)Cc1ccc(F)cc1F ZINC000349063128 156339683 /nfs/dbraw/zinc/33/96/83/156339683.db2.gz PGCOXCHNRKDEIT-UHFFFAOYSA-N 1 0 349.381 3.437 20 5 EGBDRO COCCOC[C@H]1CC[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000093754985 162025544 /nfs/dbraw/zinc/02/55/44/162025544.db2.gz XWEKQQZTRFVPBL-INIZCTEOSA-N 1 0 336.432 3.203 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@H]2C[C@H](O)c2ccco2)cc1 ZINC000305052480 163073083 /nfs/dbraw/zinc/07/30/83/163073083.db2.gz NFFSUJKSQFEZTE-IRXDYDNUSA-N 1 0 330.384 3.318 20 5 EGBDRO COC(=O)CC1([NH2+]Cc2c(Cl)cccc2[N+](=O)[O-])CCCC1 ZINC000338334492 163214447 /nfs/dbraw/zinc/21/44/47/163214447.db2.gz WKIKFNMDSAPYEM-UHFFFAOYSA-N 1 0 326.780 3.214 20 5 EGBDRO C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338349709 163219950 /nfs/dbraw/zinc/21/99/50/163219950.db2.gz GGZMLAMBSHCLRE-BZUAXINKSA-N 1 0 347.459 3.247 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2ccnn2-c2ccc(F)cc2)cc1 ZINC000354351385 166007885 /nfs/dbraw/zinc/00/78/85/166007885.db2.gz KLHANKDKGWQMLY-UHFFFAOYSA-N 1 0 340.358 3.252 20 5 EGBDRO CCC[N@@H+]1CCC[C@@H]1CNc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000343980717 164076291 /nfs/dbraw/zinc/07/62/91/164076291.db2.gz UHKIKOWHZHUFJX-SNVBAGLBSA-N 1 0 332.326 3.295 20 5 EGBDRO CC(C)CC[C@@H]1CCCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000351670577 165126508 /nfs/dbraw/zinc/12/65/08/165126508.db2.gz VOBOOBBASWOVAN-INIZCTEOSA-N 1 0 333.432 3.484 20 5 EGBDRO CCOC(=O)C1(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000351941899 165160053 /nfs/dbraw/zinc/16/00/53/165160053.db2.gz YBEJGZVSXTUTJE-UHFFFAOYSA-N 1 0 344.367 3.288 20 5 EGBDRO COC[C@H](Cc1ccccc1)[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC ZINC000355781710 166308069 /nfs/dbraw/zinc/30/80/69/166308069.db2.gz KRLASNZQXMDNGZ-SFHVURJKSA-N 1 0 344.411 3.293 20 5 EGBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 ZINC000367540320 168238841 /nfs/dbraw/zinc/23/88/41/168238841.db2.gz KOKPPEJIDIRWRJ-BZUAXINKSA-N 1 0 326.400 3.096 20 5 EGBDRO COCCC[NH+]1CCC(N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000159113272 225149723 /nfs/dbraw/zinc/14/97/23/225149723.db2.gz FYGMKJJEEUZKEA-OAHLLOKOSA-N 1 0 335.448 3.055 20 5 EGBDRO C[C@H]1C[C@@H](Nc2ccc(Br)cc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000122262619 222048131 /nfs/dbraw/zinc/04/81/31/222048131.db2.gz XATJSGDXAADDJU-GXSJLCMTSA-N 1 0 340.221 3.394 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCN(CC(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000124245151 222398629 /nfs/dbraw/zinc/39/86/29/222398629.db2.gz VKSBJVRPDISSJV-CHWSQXEVSA-N 1 0 345.365 3.438 20 5 EGBDRO C[C@H]([NH3+])c1ccc(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)cc1 ZINC000178236233 265302254 /nfs/dbraw/zinc/30/22/54/265302254.db2.gz GNHZMOYUKYAOAS-ZDUSSCGKSA-N 1 0 342.399 3.445 20 5 EGBDRO COc1cccc2c1CC[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C2 ZINC000192441869 265969729 /nfs/dbraw/zinc/96/97/29/265969729.db2.gz UGJJMLVUZJYLAN-MRXNPFEDSA-N 1 0 326.396 3.293 20 5 EGBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)Cc1ccccc1 ZINC000193506891 266038159 /nfs/dbraw/zinc/03/81/59/266038159.db2.gz KCOQLJOJMJCFLR-IBGZPJMESA-N 1 0 328.412 3.409 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC[C@@H](Nc3ccccc3)C2)c1 ZINC000269680367 266340374 /nfs/dbraw/zinc/34/03/74/266340374.db2.gz XXGKDELJRNTFHR-MJGOQNOKSA-N 1 0 341.411 3.205 20 5 EGBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CC[NH+](C2CCCC2)CC1 ZINC000278445204 268015042 /nfs/dbraw/zinc/01/50/42/268015042.db2.gz RCZHOUHOEYAFSB-UHFFFAOYSA-N 1 0 344.337 3.073 20 5 EGBDRO CC(C)c1ccc([C@H]([NH3+])CNC(=O)c2cc(F)ccc2[N+](=O)[O-])cc1 ZINC000236775116 273563901 /nfs/dbraw/zinc/56/39/01/273563901.db2.gz ZNXOHXATTBVCRY-MRXNPFEDSA-N 1 0 345.374 3.287 20 5 EGBDRO COc1cc(C[NH2+][C@@H]2[C@H]3Cc4ccccc4[C@@H]23)c([N+](=O)[O-])cc1OC ZINC000367684196 274094431 /nfs/dbraw/zinc/09/44/31/274094431.db2.gz KGAYHHFMNUQPIE-GDIGMMSISA-N 1 0 340.379 3.040 20 5 EGBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000264435088 275011562 /nfs/dbraw/zinc/01/15/62/275011562.db2.gz BDFUSWDMWHKSEU-OAHLLOKOSA-N 1 0 343.383 3.041 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CC[NH+]([C@@H]3CCCc4ccccc43)CC2)cn1 ZINC000058423377 275036388 /nfs/dbraw/zinc/03/63/88/275036388.db2.gz MUBSNDMQCFWWBM-GOSISDBHSA-N 1 0 338.411 3.189 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000183861665 275211122 /nfs/dbraw/zinc/21/11/22/275211122.db2.gz KZPXJPNWLCTJCA-UHFFFAOYSA-N 1 0 334.420 3.147 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCc3nccn3C1)CCC2 ZINC000279025975 275297002 /nfs/dbraw/zinc/29/70/02/275297002.db2.gz VLJOHRFVDUROMQ-CXAGYDPISA-N 1 0 326.400 3.021 20 5 EGBDRO C[C@](O)(C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C(F)(F)F ZINC000279086703 275302739 /nfs/dbraw/zinc/30/27/39/275302739.db2.gz NCPBOOSNRVLBKX-JSGCOSHPSA-N 1 0 332.322 3.220 20 5 EGBDRO C[C@H](CO[C@H]1CCOC1)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279124593 275305786 /nfs/dbraw/zinc/30/57/86/275305786.db2.gz QHQVDELHQASHOD-HACGYAERSA-N 1 0 334.416 3.101 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000279464128 275333021 /nfs/dbraw/zinc/33/30/21/275333021.db2.gz JIRKAJXPJYDCEB-VNQPRFMTSA-N 1 0 336.819 3.338 20 5 EGBDRO COc1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)cc1[N+](=O)[O-] ZINC000279660066 275347479 /nfs/dbraw/zinc/34/74/79/275347479.db2.gz DCZGCSMRZLVQPY-KBRIMQKVSA-N 1 0 332.400 3.041 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000280007929 275390089 /nfs/dbraw/zinc/39/00/89/275390089.db2.gz LQLHELXDUTWVCB-KSSFIOAISA-N 1 0 341.411 3.324 20 5 EGBDRO CC(C)(C)c1ccc(C(=O)NC2CC[NH+](C3CC3)CC2)cc1[N+](=O)[O-] ZINC000043963298 275535241 /nfs/dbraw/zinc/53/52/41/275535241.db2.gz SMECMBHAFINJFT-UHFFFAOYSA-N 1 0 345.443 3.249 20 5 EGBDRO Cc1c(C[NH2+][C@]2(CO)CCCc3ccccc32)cccc1[N+](=O)[O-] ZINC000281788159 275576179 /nfs/dbraw/zinc/57/61/79/275576179.db2.gz UFAIGDLSMDTXAH-IBGZPJMESA-N 1 0 326.396 3.217 20 5 EGBDRO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285447785 275877049 /nfs/dbraw/zinc/87/70/49/275877049.db2.gz ZIRLNMNYCQYOSY-OUENDJJVSA-N 1 0 331.416 3.175 20 5 EGBDRO CC(C)(C)[NH+]1CCC(Nc2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000286421751 275997575 /nfs/dbraw/zinc/99/75/75/275997575.db2.gz PHCBSVZFJMAING-UHFFFAOYSA-N 1 0 335.433 3.274 20 5 EGBDRO CC(C)[N@@H+]1CCC[C@@H](CNc2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000286493474 276007928 /nfs/dbraw/zinc/00/79/28/276007928.db2.gz ZPLRKSDMJQSGRG-NSHDSACASA-N 1 0 335.433 3.132 20 5 EGBDRO O=[N+]([O-])c1ccc(Cl)cc1NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000287183653 276093765 /nfs/dbraw/zinc/09/37/65/276093765.db2.gz GUWUHPUBUPJDON-LBPRGKRZSA-N 1 0 339.823 3.161 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000287673740 276145924 /nfs/dbraw/zinc/14/59/24/276145924.db2.gz SGNSCNNBBYBJMP-GJZGRUSLSA-N 1 0 346.431 3.302 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000289098135 276290395 /nfs/dbraw/zinc/29/03/95/276290395.db2.gz PLGMHFJGJLKCDH-DZGCQCFKSA-N 1 0 346.431 3.302 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCC[C@@H](C4CC4)C3)n2)cc1 ZINC000289498315 276348459 /nfs/dbraw/zinc/34/84/59/276348459.db2.gz TYXQBPMFSVWQAY-CQSZACIVSA-N 1 0 328.372 3.267 20 5 EGBDRO CCC[N@@H+]1CC[C@@H](CNC(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000289623511 276368099 /nfs/dbraw/zinc/36/80/99/276368099.db2.gz JZGIWOVPVGFGMZ-NSHDSACASA-N 1 0 340.811 3.102 20 5 EGBDRO CC(C)N(CC[NH+](C)C)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000289813582 276399461 /nfs/dbraw/zinc/39/94/61/276399461.db2.gz VWTXNWOOWIGELK-UHFFFAOYSA-N 1 0 328.800 3.052 20 5 EGBDRO CC[C@H]([NH2+][C@@H]1COc2ccccc2[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000289855349 276406890 /nfs/dbraw/zinc/40/68/90/276406890.db2.gz BKKLHOGMXQFRQB-LZLYRXPVSA-N 1 0 328.368 3.130 20 5 EGBDRO Cc1c([C@H](C)[NH2+][C@@H]2COc3ccccc3[C@@H]2O)cccc1[N+](=O)[O-] ZINC000290531507 276507980 /nfs/dbraw/zinc/50/79/80/276507980.db2.gz ZKLUIWONDVMILQ-PNPHSEOMSA-N 1 0 328.368 3.048 20 5 EGBDRO COCCC[NH+]1CCC(Nc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000292574713 276828723 /nfs/dbraw/zinc/82/87/23/276828723.db2.gz TXDWCPYZAXWMGG-UHFFFAOYSA-N 1 0 327.812 3.161 20 5 EGBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1CCCC2(CC[NH+](C)CC2)C1 ZINC000377157540 278250537 /nfs/dbraw/zinc/25/05/37/278250537.db2.gz GSTPGZBFIVMVSK-UHFFFAOYSA-N 1 0 331.416 3.110 20 5 EGBDRO CCC[C@@H]([NH2+]C(C)C)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000355145335 278869335 /nfs/dbraw/zinc/86/93/35/278869335.db2.gz DYUITWBCCORECF-MRXNPFEDSA-N 1 0 333.432 3.253 20 5 EGBDRO CCN(CC)C(=O)C1([NH2+]Cc2ccccc2[N+](=O)[O-])CCCCC1 ZINC000118847165 279065889 /nfs/dbraw/zinc/06/58/89/279065889.db2.gz OVIHJIVSZGZOBZ-UHFFFAOYSA-N 1 0 333.432 3.256 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000120278139 281261126 /nfs/dbraw/zinc/26/11/26/281261126.db2.gz DIJHSKVZRONYJB-QGZVFWFLSA-N 1 0 341.411 3.082 20 5 EGBDRO C[NH+](C)CC[C@@H](NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)C(C)(C)C ZINC000342953498 289180022 /nfs/dbraw/zinc/18/00/22/289180022.db2.gz PRKGDMWSCRSDEY-OAHLLOKOSA-N 1 0 346.431 3.172 20 5 EGBDRO C[NH+](C)Cc1cccc(NC(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])c1 ZINC000063929216 307356485 /nfs/dbraw/zinc/35/64/85/307356485.db2.gz MFPDQJANQUSVTO-VQHVLOKHSA-N 1 0 343.358 3.447 20 5 EGBDRO C[C@H]([NH2+]CCc1cc(F)cc2c1OCOC2)c1ccc([N+](=O)[O-])cc1 ZINC000120748114 307510442 /nfs/dbraw/zinc/51/04/42/307510442.db2.gz DLCCKXSETSOCEZ-LBPRGKRZSA-N 1 0 346.358 3.494 20 5 EGBDRO Cc1ccc(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)nc1C ZINC000414161584 309064140 /nfs/dbraw/zinc/06/41/40/309064140.db2.gz FRWAANCTQDLPCF-HOTGVXAUSA-N 1 0 329.404 3.077 20 5 EGBDRO C[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000180864854 533696790 /nfs/dbraw/zinc/69/67/90/533696790.db2.gz NPQJHEYOSCXIBE-KBPBESRZSA-N 1 0 346.431 3.369 20 5 EGBDRO C[C@H]([NH2+]C[C@H](Cc1ccccc1)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000154970662 307804903 /nfs/dbraw/zinc/80/49/03/307804903.db2.gz IYUZAGCLWXHIJI-KXBFYZLASA-N 1 0 327.428 3.418 20 5 EGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](CO)c1ccc(F)cc1 ZINC000414282983 309070620 /nfs/dbraw/zinc/07/06/20/309070620.db2.gz DTYJCODFXMYQLW-CZUORRHYSA-N 1 0 332.375 3.031 20 5 EGBDRO C[C@@H](C[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)CC(F)(F)F ZINC000414285797 309070682 /nfs/dbraw/zinc/07/06/82/309070682.db2.gz RYOQTGDQUCWTHP-GHMZBOCLSA-N 1 0 347.337 3.490 20 5 EGBDRO COCC1CCC([NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000414319843 309072834 /nfs/dbraw/zinc/07/28/34/309072834.db2.gz ZYGDMSJWYFEGQC-CKUJCDMFSA-N 1 0 336.436 3.070 20 5 EGBDRO C[C@]1(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCCC[C@@H]1O ZINC000247203073 307990700 /nfs/dbraw/zinc/99/07/00/307990700.db2.gz VEYCSWKXFKPZOD-NZSAHSFTSA-N 1 0 332.444 3.447 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](C/C=C\c3ccc(F)cc3)C2)nc1 ZINC000255034651 308037799 /nfs/dbraw/zinc/03/77/99/308037799.db2.gz XHFNPAYLMNTLMY-STOZHHMFSA-N 1 0 342.374 3.329 20 5 EGBDRO Cc1cc(N2CCC3(CC2)OCCCO3)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000292814495 308068648 /nfs/dbraw/zinc/06/86/48/308068648.db2.gz OJTILKXQZXIQSU-UHFFFAOYSA-N 1 0 343.383 3.185 20 5 EGBDRO CCOC1(C[NH2+]Cc2cc(OC)c(OC)cc2[N+](=O)[O-])CCCC1 ZINC000293015706 308090372 /nfs/dbraw/zinc/09/03/72/308090372.db2.gz QDVVZWVLNKHHSB-UHFFFAOYSA-N 1 0 338.404 3.051 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC(CO)(c3ccccc3)CC2)cc1 ZINC000293302626 308118442 /nfs/dbraw/zinc/11/84/42/308118442.db2.gz KVFYJJPEQCWKSZ-UHFFFAOYSA-N 1 0 326.396 3.121 20 5 EGBDRO C[C@H](C[C@H](O)c1cccs1)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294814013 308260051 /nfs/dbraw/zinc/26/00/51/308260051.db2.gz PWSBIIIRRHATLA-ZETOZRRWSA-N 1 0 335.429 3.401 20 5 EGBDRO C[NH2+]Cc1ccc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)cc1 ZINC000295264357 308308751 /nfs/dbraw/zinc/30/87/51/308308751.db2.gz RLIGSPYFSVKPKS-UHFFFAOYSA-N 1 0 340.383 3.141 20 5 EGBDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCC(=O)N2C)c1ccc([N+](=O)[O-])cc1 ZINC000295602423 308342399 /nfs/dbraw/zinc/34/23/99/308342399.db2.gz CZUXCCKOOOYVRE-ZDUSSCGKSA-N 1 0 339.395 3.355 20 5 EGBDRO O=[N+]([O-])c1cc(F)c(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c(F)c1 ZINC000296138036 308397401 /nfs/dbraw/zinc/39/74/01/308397401.db2.gz XBJTYSSJZIHDSQ-XZJROXQQSA-N 1 0 338.354 3.310 20 5 EGBDRO CC[NH2+]Cc1cccc(NC(=O)c2cc(OCC)ccc2[N+](=O)[O-])c1 ZINC000297215940 308511109 /nfs/dbraw/zinc/51/11/09/308511109.db2.gz NUDDJZLZQZBKMS-UHFFFAOYSA-N 1 0 343.383 3.355 20 5 EGBDRO CCOc1cc(C[NH+]2CCC(c3ccncn3)CC2)ccc1[N+](=O)[O-] ZINC000298432970 308613891 /nfs/dbraw/zinc/61/38/91/308613891.db2.gz QGWYCTCFNXBFPC-UHFFFAOYSA-N 1 0 342.399 3.163 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+]C(C)(C)c1ccccc1 ZINC000299658837 308683416 /nfs/dbraw/zinc/68/34/16/308683416.db2.gz XGEAFAVNBYOBMN-UHFFFAOYSA-N 1 0 343.383 3.067 20 5 EGBDRO C[NH+](C)[C@H](CNc1ncc([N+](=O)[O-])cc1Cl)c1ccc(F)cc1 ZINC000301297484 308695484 /nfs/dbraw/zinc/69/54/84/308695484.db2.gz YLAYXNBSOPLCST-CQSZACIVSA-N 1 0 338.770 3.497 20 5 EGBDRO CCOC(=O)c1cc(N[C@H]2CCC[C@@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000301618532 308707682 /nfs/dbraw/zinc/70/76/82/308707682.db2.gz BKMXSYUBFNWOAS-GXTWGEPZSA-N 1 0 335.404 3.056 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2COc3ccccc3O2)cc1[N+](=O)[O-] ZINC000324180308 308769003 /nfs/dbraw/zinc/76/90/03/308769003.db2.gz PQKTZUGWUGTDDX-UKRRQHHQSA-N 1 0 328.368 3.394 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CC[C@H]([NH+]3CCCCC3)C2)c2cccnc21 ZINC000413135186 309017656 /nfs/dbraw/zinc/01/76/56/309017656.db2.gz MISHFZYQEVWCGL-AWEZNQCLSA-N 1 0 326.400 3.208 20 5 EGBDRO C[NH+](C)[C@@H]1CCC[C@H](Nc2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000413163966 309019060 /nfs/dbraw/zinc/01/90/60/309019060.db2.gz BXUBCNKMHANOEF-VHSXEESVSA-N 1 0 332.326 3.293 20 5 EGBDRO C[N@@H+]1CCC[C@@H]2CN(c3ccc([N+](=O)[O-])c4ncccc34)CC[C@H]21 ZINC000413204576 309021375 /nfs/dbraw/zinc/02/13/75/309021375.db2.gz PVOIVOBRUGEIKJ-UKRRQHHQSA-N 1 0 326.400 3.064 20 5 EGBDRO CC[NH+](CC)CCCC1CCN(c2ncc([N+](=O)[O-])cc2F)CC1 ZINC000413240275 309023156 /nfs/dbraw/zinc/02/31/56/309023156.db2.gz JMVWEYNSEYOUQG-UHFFFAOYSA-N 1 0 338.427 3.467 20 5 EGBDRO O=[N+]([O-])c1cnc(NC[C@H]2CC[N@H+](Cc3ccccc3)C2)c(F)c1 ZINC000413260409 309023986 /nfs/dbraw/zinc/02/39/86/309023986.db2.gz FFXQYXLFZWUYEU-CQSZACIVSA-N 1 0 330.363 3.063 20 5 EGBDRO C[C@@H](NCc1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@H]1CCC[NH2+]C1 ZINC000414851403 309105430 /nfs/dbraw/zinc/10/54/30/309105430.db2.gz JDVZOZLSLQUHIO-KGLIPLIRSA-N 1 0 329.400 3.333 20 5 EGBDRO C[C@@H](NCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1)[C@H](C)[NH3+] ZINC000415019174 309114664 /nfs/dbraw/zinc/11/46/64/309114664.db2.gz RPULTQNCJGRMNR-UONOGXRCSA-N 1 0 328.416 3.188 20 5 EGBDRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000415419851 309133153 /nfs/dbraw/zinc/13/31/53/309133153.db2.gz RMVNEAMZEVLCRC-INIZCTEOSA-N 1 0 342.399 3.287 20 5 EGBDRO CC[NH2+]CC1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2CC)CC1 ZINC000415761008 309143282 /nfs/dbraw/zinc/14/32/82/309143282.db2.gz KVYVFVBWNCWUSR-UHFFFAOYSA-N 1 0 334.420 3.011 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000415763244 309143435 /nfs/dbraw/zinc/14/34/35/309143435.db2.gz NXTGMZKAJMYJRI-INIZCTEOSA-N 1 0 334.420 3.186 20 5 EGBDRO Cc1cnc(CC[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)nc1 ZINC000417311145 309201187 /nfs/dbraw/zinc/20/11/87/309201187.db2.gz NUXNXIREZQAHPR-KRWDZBQOSA-N 1 0 326.400 3.293 20 5 EGBDRO Cc1ccc(C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)c(=O)n1C ZINC000417335036 309202120 /nfs/dbraw/zinc/20/21/20/309202120.db2.gz SECDLLNKMNPDMM-GOSISDBHSA-N 1 0 341.411 3.159 20 5 EGBDRO C[C@@H]1C[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)[C@@H](C)[C@H]1C ZINC000418112702 309235912 /nfs/dbraw/zinc/23/59/12/309235912.db2.gz BRBKZOPEVDQNPZ-RDBSUJKOSA-N 1 0 328.416 3.472 20 5 EGBDRO CCCC[C@@H](C[NH3+])NC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000418443399 309246329 /nfs/dbraw/zinc/24/63/29/309246329.db2.gz KWNIFTRWOYGRKS-CVEARBPZSA-N 1 0 348.447 3.001 20 5 EGBDRO CC[C@@H]([NH2+]CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@@H]1CC1(C)C ZINC000419309183 309264123 /nfs/dbraw/zinc/26/41/23/309264123.db2.gz BQYBICPZUQNBFJ-UONOGXRCSA-N 1 0 349.431 3.346 20 5 EGBDRO COCCCC[N@H+](C)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000419382373 309266103 /nfs/dbraw/zinc/26/61/03/309266103.db2.gz JIAWDIBICCNIGL-GFCCVEGCSA-N 1 0 334.376 3.064 20 5 EGBDRO [NH3+][C@@H]1CCC[C@H]2CN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)C[C@@H]21 ZINC000420224933 309277465 /nfs/dbraw/zinc/27/74/65/309277465.db2.gz CAYXZILVOIECOZ-HRCADAONSA-N 1 0 338.411 3.220 20 5 EGBDRO C[C@@H]1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)[C@@H](C[NH3+])C1 ZINC000420261255 309278473 /nfs/dbraw/zinc/27/84/73/309278473.db2.gz PGJQNWOJEZNWKH-BXUZGUMPSA-N 1 0 332.429 3.282 20 5 EGBDRO [NH3+][C@H]1CCC[C@H](CNc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)C1 ZINC000420291959 309279745 /nfs/dbraw/zinc/27/97/45/309279745.db2.gz WASMRXNYUFYXSY-AAEUAGOBSA-N 1 0 332.429 3.070 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@H](C2CCCC2)C1 ZINC000420964210 309304532 /nfs/dbraw/zinc/30/45/32/309304532.db2.gz PDLHDKFAWFJJEV-HNNXBMFYSA-N 1 0 331.416 3.354 20 5 EGBDRO C[C@H]1C[C@@H](CO)C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000421369131 309321017 /nfs/dbraw/zinc/32/10/17/309321017.db2.gz XWBCWKDRARUVFU-UONOGXRCSA-N 1 0 330.384 3.305 20 5 EGBDRO Cc1cc(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc(C)n1 ZINC000421853127 309343549 /nfs/dbraw/zinc/34/35/49/309343549.db2.gz IPCUHRXTNLYQBI-CVEARBPZSA-N 1 0 329.404 3.077 20 5 EGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C1CCN(OC)CC1 ZINC000421871400 309344459 /nfs/dbraw/zinc/34/44/59/309344459.db2.gz FXHNQEMSPHWETR-CYBMUJFWSA-N 1 0 339.461 3.081 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000424036396 309426519 /nfs/dbraw/zinc/42/65/19/309426519.db2.gz DXHQGJNBUABUSA-KRWDZBQOSA-N 1 0 345.443 3.062 20 5 EGBDRO C[C@@H](C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1ccc(F)cc1 ZINC000425961729 309495813 /nfs/dbraw/zinc/49/58/13/309495813.db2.gz DFBFVPBRYZKNAH-ZDUSSCGKSA-N 1 0 332.379 3.371 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+][C@H]1CCn2ccnc2C1 ZINC000427880539 309537517 /nfs/dbraw/zinc/53/75/17/309537517.db2.gz WNSSZRCBEKCGCH-BHYGNILZSA-N 1 0 340.427 3.107 20 5 EGBDRO CCC(CC)(C[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)OC ZINC000430139414 309599099 /nfs/dbraw/zinc/59/90/99/309599099.db2.gz PSYORCDUJPPTHR-ZDUSSCGKSA-N 1 0 337.420 3.107 20 5 EGBDRO CC(=O)Nc1ccc(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)cn1 ZINC000433082321 309678269 /nfs/dbraw/zinc/67/82/69/309678269.db2.gz KHTVIXVTTAXVPU-KRWDZBQOSA-N 1 0 340.383 3.115 20 5 EGBDRO CC1(C)C[C@H]([NH2+][C@H](CO)CC(F)(F)F)c2cc([N+](=O)[O-])ccc21 ZINC000433301525 309685286 /nfs/dbraw/zinc/68/52/86/309685286.db2.gz GLWGCTQCWPIWEG-ZANVPECISA-N 1 0 332.322 3.220 20 5 EGBDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000434031556 309703075 /nfs/dbraw/zinc/70/30/75/309703075.db2.gz NRQBCTNYNQNDSX-UHFFFAOYSA-N 1 0 345.403 3.064 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](CC(F)(F)F)C(C)C ZINC000445888844 309950963 /nfs/dbraw/zinc/95/09/63/309950963.db2.gz XEORMXDFXQFKHT-ZDUSSCGKSA-N 1 0 347.337 3.408 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H](CC(F)(F)F)C(C)C ZINC000445902678 309951366 /nfs/dbraw/zinc/95/13/66/309951366.db2.gz GDQGQWSTFIORNX-NSHDSACASA-N 1 0 347.337 3.408 20 5 EGBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCOCc2ccccc2)n1 ZINC000447531302 309981032 /nfs/dbraw/zinc/98/10/32/309981032.db2.gz OTFWSICNDBSOHH-SJORKVTESA-N 1 0 344.415 3.081 20 5 EGBDRO Cc1cccc(CC[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000447538305 309981380 /nfs/dbraw/zinc/98/13/80/309981380.db2.gz BMYZWPCQNPYHSR-IAGOWNOFSA-N 1 0 328.416 3.416 20 5 EGBDRO CN(C)c1ccccc1C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447587546 309983397 /nfs/dbraw/zinc/98/33/97/309983397.db2.gz ROBZQLYJFLHJRD-NVXWUHKLSA-N 1 0 343.431 3.131 20 5 EGBDRO Cn1nccc1[C@H]1CCC[C@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)C1 ZINC000448025479 309996386 /nfs/dbraw/zinc/99/63/86/309996386.db2.gz DJAVIVGEIZQTBX-HOTGVXAUSA-N 1 0 328.416 3.187 20 5 EGBDRO COCCOc1ccc(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000449076473 310035172 /nfs/dbraw/zinc/03/51/72/310035172.db2.gz HQYPMDUEGXPWHW-OAHLLOKOSA-N 1 0 344.411 3.341 20 5 EGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)c1ccc(NC(N)=O)cc1 ZINC000449142191 310039867 /nfs/dbraw/zinc/03/98/67/310039867.db2.gz SFJIOJNFPUEUAP-CHWSQXEVSA-N 1 0 342.399 3.367 20 5 EGBDRO COc1ccc([C@H](CCO)[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000449200414 310044196 /nfs/dbraw/zinc/04/41/96/310044196.db2.gz DUPKGJOJXWBLBU-KSSFIOAISA-N 1 0 344.411 3.248 20 5 EGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](c1cccs1)N(C)C ZINC000449218818 310045513 /nfs/dbraw/zinc/04/55/13/310045513.db2.gz KZZHNPUCUSCROB-XJKSGUPXSA-N 1 0 333.457 3.480 20 5 EGBDRO COc1ccc(COCC[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000449253921 310047731 /nfs/dbraw/zinc/04/77/31/310047731.db2.gz VAOPXXLWDYHXJS-HNNXBMFYSA-N 1 0 344.411 3.341 20 5 EGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CO)c1ccc(F)cc1 ZINC000449380489 310057670 /nfs/dbraw/zinc/05/76/70/310057670.db2.gz NKTUMFSYVFELMQ-GUYCJALGSA-N 1 0 332.375 3.378 20 5 EGBDRO Cc1nc(NC2CC[NH+]([C@H](C)c3ccccc3)CC2)ncc1[N+](=O)[O-] ZINC000450339023 310116489 /nfs/dbraw/zinc/11/64/89/310116489.db2.gz NIJYWUINGWRHAV-CQSZACIVSA-N 1 0 341.415 3.331 20 5 EGBDRO O=[N+]([O-])c1ccc2c(ccnc2NC2CC[NH+](C3CCCC3)CC2)c1 ZINC000450367490 310118253 /nfs/dbraw/zinc/11/82/53/310118253.db2.gz CEZSWNWPJUBZLG-UHFFFAOYSA-N 1 0 340.427 3.384 20 5 EGBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1c1nccc2c1cccc2[N+](=O)[O-] ZINC000450522941 310128048 /nfs/dbraw/zinc/12/80/48/310128048.db2.gz BNYLMFONTKSBIX-UONOGXRCSA-N 1 0 326.400 3.206 20 5 EGBDRO C[C@@H](c1ccccc1)[C@H](O)C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000450931667 310150504 /nfs/dbraw/zinc/15/05/04/310150504.db2.gz BBRMQHQZCSGNKM-HNAYVOBHSA-N 1 0 328.412 3.234 20 5 EGBDRO CO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1(C)C ZINC000451511296 310182009 /nfs/dbraw/zinc/18/20/09/310182009.db2.gz WCJNIQYTLFFOLH-ZLKJLUDKSA-N 1 0 346.387 3.109 20 5 EGBDRO CCCCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451542783 310184369 /nfs/dbraw/zinc/18/43/69/310184369.db2.gz AFJCVPGEWYWVPL-HOCLYGCPSA-N 1 0 333.432 3.079 20 5 EGBDRO Cc1cc(=O)[nH]c([C@H](C)[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000451552630 310185869 /nfs/dbraw/zinc/18/58/69/310185869.db2.gz WUETWMGSQGBAQV-DZGCQCFKSA-N 1 0 342.399 3.339 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H]2C[C@@H](O)CC[C@H]2C1 ZINC000451698556 310193107 /nfs/dbraw/zinc/19/31/07/310193107.db2.gz CSZFIBGYGQWYFD-VKJFTORMSA-N 1 0 348.443 3.365 20 5 EGBDRO CCN(C)C(=O)[C@@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)C(C)C ZINC000453283145 310268980 /nfs/dbraw/zinc/26/89/80/310268980.db2.gz MFGBJZDVNPNCAA-IRXDYDNUSA-N 1 0 333.432 3.065 20 5 EGBDRO CCn1ccnc1[C@H](C)[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000453353288 310272574 /nfs/dbraw/zinc/27/25/74/310272574.db2.gz NQCZKFTZSULMJE-XJKSGUPXSA-N 1 0 328.416 3.483 20 5 EGBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCC1CC(F)(F)C1 ZINC000453413683 310275796 /nfs/dbraw/zinc/27/57/96/310275796.db2.gz IZNJBYVEPQHMEF-LLVKDONJSA-N 1 0 341.358 3.337 20 5 EGBDRO C[C@H]1CC[C@H](C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)O1 ZINC000453628418 310285705 /nfs/dbraw/zinc/28/57/05/310285705.db2.gz JIKADEQNDNBRFA-XHDPSFHLSA-N 1 0 333.413 3.375 20 5 EGBDRO C[C@H]1C[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2nccn21 ZINC000454212440 310297431 /nfs/dbraw/zinc/29/74/31/310297431.db2.gz KRAHCPDVHURPAC-QPUJVOFHSA-N 1 0 335.751 3.272 20 5 EGBDRO C[NH+](C)CCCC(C)(C)NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000454217122 310297770 /nfs/dbraw/zinc/29/77/70/310297770.db2.gz OUAQTBUZAOSWOK-UHFFFAOYSA-N 1 0 342.827 3.490 20 5 EGBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000454499296 310313122 /nfs/dbraw/zinc/31/31/22/310313122.db2.gz POLPUONARHEYJZ-HOCLYGCPSA-N 1 0 348.447 3.220 20 5 EGBDRO CC[C@H]1C[N@H+](CC)CCN1C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000455149686 310347314 /nfs/dbraw/zinc/34/73/14/310347314.db2.gz XXGOSDYSGVSUIZ-AWEZNQCLSA-N 1 0 334.420 3.160 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C[NH+](C)C)c(C)c1 ZINC000458312873 310497698 /nfs/dbraw/zinc/49/76/98/310497698.db2.gz IXCYZYNOGZWJJX-UHFFFAOYSA-N 1 0 343.383 3.226 20 5 EGBDRO C[C@H](C[NH+]1CCCCCC1)NC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000458670795 310515047 /nfs/dbraw/zinc/51/50/47/310515047.db2.gz XKHZTVAVFKYUOL-CABCVRRESA-N 1 0 348.447 3.220 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C(C)C)C1(CO)CCCC1 ZINC000459518702 310557990 /nfs/dbraw/zinc/55/79/90/310557990.db2.gz CRAZYHAXGLNBNJ-QGZVFWFLSA-N 1 0 336.432 3.270 20 5 EGBDRO C[C@H]1CCCC[C@]1(C)[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000459610715 310564276 /nfs/dbraw/zinc/56/42/76/310564276.db2.gz KGHGOCGDPZWGAU-UGSOOPFHSA-N 1 0 331.416 3.042 20 5 EGBDRO CC(C)(C)c1ccc(C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000462883196 310607221 /nfs/dbraw/zinc/60/72/21/310607221.db2.gz KDUPIYPFLOGVLE-GOEBONIOSA-N 1 0 345.443 3.010 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000463965171 310616843 /nfs/dbraw/zinc/61/68/43/310616843.db2.gz PYFKMCPAAHFGOA-CYBMUJFWSA-N 1 0 348.447 3.455 20 5 EGBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H](C)CC(F)(F)F ZINC000468053167 310681726 /nfs/dbraw/zinc/68/17/26/310681726.db2.gz WZTYZWSJPRQLEN-NXEZZACHSA-N 1 0 333.310 3.242 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H](CO)Cc1ccccc1 ZINC000468599650 310691174 /nfs/dbraw/zinc/69/11/74/310691174.db2.gz PYLBCSJGVWVTLF-KAPURRDVSA-N 1 0 326.396 3.191 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCCC[NH+]1CCC(C)CC1 ZINC000475546303 310813646 /nfs/dbraw/zinc/81/36/46/310813646.db2.gz DUGWHRUFTDQDIJ-UHFFFAOYSA-N 1 0 348.447 3.455 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)cc1[N+](=O)[O-] ZINC000480266946 310892287 /nfs/dbraw/zinc/89/22/87/310892287.db2.gz QXKWDDYTEOGDAD-OAGGEKHMSA-N 1 0 349.475 3.442 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](CO)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000481169878 310907475 /nfs/dbraw/zinc/90/74/75/310907475.db2.gz JLOJUONXMMWMLO-NVXWUHKLSA-N 1 0 328.412 3.405 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000487182137 311014149 /nfs/dbraw/zinc/01/41/49/311014149.db2.gz ATCQYXIXBBLFKA-MRXNPFEDSA-N 1 0 334.420 3.016 20 5 EGBDRO CC(C)[C@H]1CN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC[N@@H+]1C ZINC000488024016 311048152 /nfs/dbraw/zinc/04/81/52/311048152.db2.gz JOHXTEKUIBNCHL-QGZVFWFLSA-N 1 0 344.415 3.022 20 5 EGBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(c2c3ccccc3ncc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488715992 311075997 /nfs/dbraw/zinc/07/59/97/311075997.db2.gz QEIXLDLMAJJCRZ-ZQIUZPCESA-N 1 0 340.427 3.310 20 5 EGBDRO C[C@H](CCc1ccccc1)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000488744645 311077977 /nfs/dbraw/zinc/07/79/77/311077977.db2.gz KKZFMICDBGTUFF-OAHLLOKOSA-N 1 0 328.416 3.450 20 5 EGBDRO C[N@@H+]1CC[C@@]2(CCN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)C2)C1 ZINC000488776003 311079725 /nfs/dbraw/zinc/07/97/25/311079725.db2.gz MXPXLDXMOOUCNA-LJQANCHMSA-N 1 0 338.411 3.189 20 5 EGBDRO COc1cc(C[N@@H+]2C[C@H](C)C[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000490545669 311144569 /nfs/dbraw/zinc/14/45/69/311144569.db2.gz OCNYTGCEYPHTEA-GHMZBOCLSA-N 1 0 344.358 3.478 20 5 EGBDRO CCOc1cc(CN(C)CC[C@H]2CCCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000492652390 311276774 /nfs/dbraw/zinc/27/67/74/311276774.db2.gz LHOURTQBZXBZNI-MRXNPFEDSA-N 1 0 335.448 3.300 20 5 EGBDRO COC(=O)[C@]1(C)C[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000504589604 312008540 /nfs/dbraw/zinc/00/85/40/312008540.db2.gz NARXYNUACFDLPG-HMRLOROQSA-N 1 0 332.400 3.129 20 5 EGBDRO CCOc1ccc([C@H](C)[NH2+]CCN2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000504893847 312011985 /nfs/dbraw/zinc/01/19/85/312011985.db2.gz INNFGFRQBRPACD-GJZGRUSLSA-N 1 0 335.448 3.376 20 5 EGBDRO Cc1cc(C(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000509438308 312117109 /nfs/dbraw/zinc/11/71/09/312117109.db2.gz BJWAENSXAMBEMC-SFHVURJKSA-N 1 0 347.459 3.390 20 5 EGBDRO Cc1ccc(NC(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000510354101 312138928 /nfs/dbraw/zinc/13/89/28/312138928.db2.gz YUICPEHRSABBDT-UMVBOHGHSA-N 1 0 348.447 3.391 20 5 EGBDRO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000511522459 312162505 /nfs/dbraw/zinc/16/25/05/312162505.db2.gz LTOAMUVJYZKXTC-DOTOQJQBSA-N 1 0 347.459 3.420 20 5 EGBDRO Cc1ccc(C[C@@H](CO)[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1C ZINC000514799734 312246484 /nfs/dbraw/zinc/24/64/84/312246484.db2.gz XRUKPYTXYOPADS-QFBILLFUSA-N 1 0 340.423 3.392 20 5 EGBDRO C[C@H](C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000515430655 312282651 /nfs/dbraw/zinc/28/26/51/312282651.db2.gz GGJFLAQTCXWUNY-RBSFLKMASA-N 1 0 345.443 3.347 20 5 EGBDRO Cc1ccccc1CCC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000531241292 313646377 /nfs/dbraw/zinc/64/63/77/313646377.db2.gz ORNAAHDDECXGGZ-UHFFFAOYSA-N 1 0 340.427 3.053 20 5 EGBDRO C[C@H](O)C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000536649128 314134190 /nfs/dbraw/zinc/13/41/90/314134190.db2.gz GAQVOVMPAVOBKV-UBAGTECSSA-N 1 0 326.396 3.491 20 5 EGBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000536697830 314140121 /nfs/dbraw/zinc/14/01/21/314140121.db2.gz RRYJCBPKVOWXHL-AATOQMJSSA-N 1 0 329.444 3.272 20 5 EGBDRO COc1ccc([C@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)c(F)c1 ZINC000536870051 314151634 /nfs/dbraw/zinc/15/16/34/314151634.db2.gz MOHVYRJURUNXRM-LBPRGKRZSA-N 1 0 334.347 3.472 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@H](CO)Cc1ccc(F)cc1 ZINC000537273532 314171731 /nfs/dbraw/zinc/17/17/31/314171731.db2.gz NBGSXFRGFOEWTO-LLCTXKFZSA-N 1 0 344.386 3.188 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@H](N2CCCC2=O)C1 ZINC000537609609 314195950 /nfs/dbraw/zinc/19/59/50/314195950.db2.gz DZYGIGXZPHWHQB-HOCLYGCPSA-N 1 0 331.416 3.051 20 5 EGBDRO CCc1ccc(CNC(=O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000538180622 314231132 /nfs/dbraw/zinc/23/11/32/314231132.db2.gz WAASWNUNDLJQDU-GFCCVEGCSA-N 1 0 347.440 3.186 20 5 EGBDRO Cc1ccc(NC(=O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1F ZINC000540377519 314377537 /nfs/dbraw/zinc/37/75/37/314377537.db2.gz XLWNVECAQZFXIX-GFCCVEGCSA-N 1 0 331.347 3.332 20 5 EGBDRO CC(C)([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cccs1 ZINC000544465631 314697378 /nfs/dbraw/zinc/69/73/78/314697378.db2.gz WJUBJIKMSMIVLD-AWEZNQCLSA-N 1 0 345.424 3.287 20 5 EGBDRO C[C@@](O)(C1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1)C(F)(F)F ZINC000546638483 314842029 /nfs/dbraw/zinc/84/20/29/314842029.db2.gz NDMHYWUZKZABGL-OAHLLOKOSA-N 1 0 346.349 3.163 20 5 EGBDRO C[C@H](C1CCCCC1)[N@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000548930856 315063860 /nfs/dbraw/zinc/06/38/60/315063860.db2.gz KBGMWODOJOOJNX-CQSZACIVSA-N 1 0 345.443 3.385 20 5 EGBDRO COC(=O)c1ccc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c(F)c1 ZINC000548928315 315064352 /nfs/dbraw/zinc/06/43/52/315064352.db2.gz VWLJQEFBIUAFAC-UHFFFAOYSA-N 1 0 346.358 3.195 20 5 EGBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CC[C@H]([NH+]3CCCC3)C2)c1 ZINC000549405246 315089815 /nfs/dbraw/zinc/08/98/15/315089815.db2.gz DGYJAEALXFHQDI-AWEZNQCLSA-N 1 0 343.349 3.284 20 5 EGBDRO CCOCC(C)(C)C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000554725139 315345541 /nfs/dbraw/zinc/34/55/41/315345541.db2.gz YYEMRPQGDVFFHL-UHFFFAOYSA-N 1 0 332.347 3.349 20 5 EGBDRO CC(C)[C@H](Cn1cccn1)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000559909167 315649493 /nfs/dbraw/zinc/64/94/93/315649493.db2.gz ALEULKACEGOWND-HNNXBMFYSA-N 1 0 336.823 3.302 20 5 EGBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]Cc2cc(F)ccc2F)n1 ZINC000564813368 316210459 /nfs/dbraw/zinc/21/04/59/316210459.db2.gz HXZKDLUCSRBLSC-GJZGRUSLSA-N 1 0 336.342 3.343 20 5 EGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000567486673 316626005 /nfs/dbraw/zinc/62/60/05/316626005.db2.gz QNOVMWXIBRPDEV-QGZVFWFLSA-N 1 0 338.411 3.367 20 5 EGBDRO CC[N@@H+]1CCC[C@@H]1CN[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000570456396 317058552 /nfs/dbraw/zinc/05/85/52/317058552.db2.gz VSMRUGPATBIBOL-ZIAGYGMSSA-N 1 0 331.338 3.272 20 5 EGBDRO O=C(CC[NH2+]CCOC1CCCCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000571277631 317176431 /nfs/dbraw/zinc/17/64/31/317176431.db2.gz OJJSUAFYVVUIAB-UHFFFAOYSA-N 1 0 349.431 3.252 20 5 EGBDRO Cc1ccnc(N2CCN(c3cc[nH+]c4ccccc43)CC2)c1[N+](=O)[O-] ZINC000571408979 317195853 /nfs/dbraw/zinc/19/58/53/317195853.db2.gz FHQOXPULISVVKF-UHFFFAOYSA-N 1 0 349.394 3.173 20 5 EGBDRO O=C(CC[NH2+][C@@H]1CC[C@@H]2CCC[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000574271458 317579781 /nfs/dbraw/zinc/57/97/81/317579781.db2.gz UVPFCNPPFRGGOG-RRFJBIMHSA-N 1 0 331.416 3.482 20 5 EGBDRO CC(C)(C)OC(=O)CC[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000174432665 323306832 /nfs/dbraw/zinc/30/68/32/323306832.db2.gz KVJHNLUPMDOHMC-UHFFFAOYSA-N 1 0 346.330 3.018 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@H](CC(C)C)[NH+](C)C ZINC000179566377 323393106 /nfs/dbraw/zinc/39/31/06/323393106.db2.gz XWPGILHQOCXBLL-HNNXBMFYSA-N 1 0 335.448 3.226 20 5 EGBDRO Cc1cccc([C@H](C)[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1C ZINC000183722371 323629226 /nfs/dbraw/zinc/62/92/26/323629226.db2.gz RSLXGSRZHOAWRH-DOTOQJQBSA-N 1 0 344.411 3.302 20 5 EGBDRO Cc1ccccc1C(C)(C)[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000575766032 324477388 /nfs/dbraw/zinc/47/73/88/324477388.db2.gz KPLCGZMNDIVSKE-UHFFFAOYSA-N 1 0 341.411 3.391 20 5 EGBDRO C[C@H]([NH2+][C@H]1CCC[C@H](N2CCCC2=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000580659466 325280129 /nfs/dbraw/zinc/28/01/29/325280129.db2.gz JHKKCJOTSNHYCF-BPUTZDHNSA-N 1 0 331.416 3.179 20 5 EGBDRO C[C@H](C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000581106305 325329950 /nfs/dbraw/zinc/32/99/50/325329950.db2.gz YIBOLDSYBBMEAZ-CABCVRRESA-N 1 0 347.459 3.325 20 5 EGBDRO Cc1ccc([C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)N2CCCC2)o1 ZINC000237885596 455228942 /nfs/dbraw/zinc/22/89/42/455228942.db2.gz YUDBZPMVRAABTI-QGZVFWFLSA-N 1 0 329.400 3.423 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCn2cccn2)s1 ZINC000237956019 455237662 /nfs/dbraw/zinc/23/76/62/455237662.db2.gz VOXUMNJDKBZHLF-UHFFFAOYSA-N 1 0 328.397 3.310 20 5 EGBDRO O=C1NCCCC[C@@H]1[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000238087910 455252843 /nfs/dbraw/zinc/25/28/43/455252843.db2.gz GLXSQSPNYUBKPI-AWEZNQCLSA-N 1 0 345.424 3.082 20 5 EGBDRO Cc1ccc(-c2n[nH]cc2C[NH2+]CCc2cccc([N+](=O)[O-])c2)o1 ZINC000158032591 455260994 /nfs/dbraw/zinc/26/09/94/455260994.db2.gz UHQMAMKQDRBZQM-UHFFFAOYSA-N 1 0 326.356 3.219 20 5 EGBDRO C[C@H]([NH2+]CC(=O)N1CCCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000173358354 455272873 /nfs/dbraw/zinc/27/28/73/455272873.db2.gz OOKLNLRZHYRNTA-AWEZNQCLSA-N 1 0 339.395 3.225 20 5 EGBDRO CCn1cnnc1[C@H]1CCC[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000245531744 455323205 /nfs/dbraw/zinc/32/32/05/455323205.db2.gz UBULCYMRAIZQOH-CABCVRRESA-N 1 0 343.431 3.455 20 5 EGBDRO O=C(C[N@H+](C1CC1)C1CCCCC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000052664640 453841842 /nfs/dbraw/zinc/84/18/42/453841842.db2.gz PNSFCUMBGMXGDQ-UHFFFAOYSA-N 1 0 343.427 3.281 20 5 EGBDRO CC[NH+](CC)[C@H](CNC(=O)c1ccccc1[N+](=O)[O-])c1ccsc1 ZINC000031987981 453860727 /nfs/dbraw/zinc/86/07/27/453860727.db2.gz YIHRQNFPPALXIN-MRXNPFEDSA-N 1 0 347.440 3.469 20 5 EGBDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1ccccc1[N+](=O)[O-] ZINC000066726608 453867726 /nfs/dbraw/zinc/86/77/26/453867726.db2.gz IWFWMUYDVPEAHE-UHFFFAOYSA-N 1 0 341.411 3.319 20 5 EGBDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000081533172 453884029 /nfs/dbraw/zinc/88/40/29/453884029.db2.gz XRUYSFUQRPVXMM-IBGZPJMESA-N 1 0 325.412 3.301 20 5 EGBDRO CCc1ccc([C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2)[NH+](C)C)cc1 ZINC000032735599 453887771 /nfs/dbraw/zinc/88/77/71/453887771.db2.gz LKMDLRODMUFVTA-GOSISDBHSA-N 1 0 341.411 3.190 20 5 EGBDRO Cc1ccc(NC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000075954904 453941896 /nfs/dbraw/zinc/94/18/96/453941896.db2.gz NCUOLGLVBFQKLW-KRWDZBQOSA-N 1 0 342.399 3.328 20 5 EGBDRO CC(C)[N@@H+]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000075961105 453942274 /nfs/dbraw/zinc/94/22/74/453942274.db2.gz GJGRKJKMGUGWAW-UHFFFAOYSA-N 1 0 340.811 3.196 20 5 EGBDRO O=[N+]([O-])c1ccc(C[N@H+](CCc2ccccc2)[C@@H]2CCOC2)cc1 ZINC000084133299 453971612 /nfs/dbraw/zinc/97/16/12/453971612.db2.gz FQHILISBHUORGN-LJQANCHMSA-N 1 0 326.396 3.428 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[N@H+](CCc2ccccc2)[C@@H]2CCOC2)cc1 ZINC000084134476 453971903 /nfs/dbraw/zinc/97/19/03/453971903.db2.gz HUEIYFJUEDYOEB-HXUWFJFHSA-N 1 0 340.423 3.471 20 5 EGBDRO C[NH+](C)CCc1ccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 ZINC000076169581 453974514 /nfs/dbraw/zinc/97/45/14/453974514.db2.gz DWIDKVLAVPHQOS-DHZHZOJOSA-N 1 0 339.395 3.351 20 5 EGBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000076333386 453990105 /nfs/dbraw/zinc/99/01/05/453990105.db2.gz LUSFOOPRMJMICJ-CHWSQXEVSA-N 1 0 339.461 3.144 20 5 EGBDRO COc1ccc(C[N@H+](C)CCCC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000076415608 453998587 /nfs/dbraw/zinc/99/85/87/453998587.db2.gz BQBCEEWRMBLBPH-UHFFFAOYSA-N 1 0 338.404 3.157 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000055928066 454026191 /nfs/dbraw/zinc/02/61/91/454026191.db2.gz CKEWKKQUTHKBAO-QGZVFWFLSA-N 1 0 331.416 3.496 20 5 EGBDRO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)N(C)Cc1ccccc1 ZINC000056197318 454043497 /nfs/dbraw/zinc/04/34/97/454043497.db2.gz MNSCHFJQOLXKML-HUUCEWRRSA-N 1 0 341.411 3.293 20 5 EGBDRO CC[NH+](CC)Cc1cccc(CNC(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000043281947 454053603 /nfs/dbraw/zinc/05/36/03/454053603.db2.gz IXTMATIJIDPXAG-UHFFFAOYSA-N 1 0 341.411 3.367 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000069077827 454077650 /nfs/dbraw/zinc/07/76/50/454077650.db2.gz SQBIGDQZSHDROE-QGZVFWFLSA-N 1 0 333.432 3.054 20 5 EGBDRO C[C@H](NC(=O)N1CCC(CC[NH+](C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000056889005 454087984 /nfs/dbraw/zinc/08/79/84/454087984.db2.gz MZAIZMVQURQHCB-AWEZNQCLSA-N 1 0 348.447 3.029 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+]C1(c2ccccc2)CC1 ZINC000077378292 454099471 /nfs/dbraw/zinc/09/94/71/454099471.db2.gz NPNYPJUEJZABMS-UHFFFAOYSA-N 1 0 325.368 3.121 20 5 EGBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH+](C3CCCC3)CC2)c1 ZINC000045085145 454138090 /nfs/dbraw/zinc/13/80/90/454138090.db2.gz RBUFLJOPNZXRTP-UHFFFAOYSA-N 1 0 349.456 3.017 20 5 EGBDRO CN(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C[C@@H]1CCC[N@H+](C)C1 ZINC000089903805 454230624 /nfs/dbraw/zinc/23/06/24/454230624.db2.gz QDLSZQCRGUJTGI-CQSZACIVSA-N 1 0 344.415 3.023 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[NH+](CC(C)C)CC1 ZINC000119921698 454236165 /nfs/dbraw/zinc/23/61/65/454236165.db2.gz OUZXKAZTRJWDHP-UHFFFAOYSA-N 1 0 334.420 3.017 20 5 EGBDRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000046761725 454282172 /nfs/dbraw/zinc/28/21/72/454282172.db2.gz GAIZPAQEGNKMKD-GJZGRUSLSA-N 1 0 348.447 3.474 20 5 EGBDRO Cc1cnc(NC[C@H]2CC[N@H+](CCc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000078659297 454293660 /nfs/dbraw/zinc/29/36/60/454293660.db2.gz AMQSNUWIWBHCLR-QGZVFWFLSA-N 1 0 340.427 3.275 20 5 EGBDRO CCC[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CC1CCCCC1 ZINC000060495538 454294945 /nfs/dbraw/zinc/29/49/45/454294945.db2.gz GJWVLYYXPKDGPG-UHFFFAOYSA-N 1 0 333.432 3.486 20 5 EGBDRO Cc1cnc(N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000078670430 454295869 /nfs/dbraw/zinc/29/58/69/454295869.db2.gz RFIZGVITTSYMLS-INIZCTEOSA-N 1 0 326.400 3.009 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000182100457 455436286 /nfs/dbraw/zinc/43/62/86/455436286.db2.gz JBZKWPUHGNFTOJ-OAHLLOKOSA-N 1 0 341.411 3.154 20 5 EGBDRO Cc1ccc(C)c([C@@H]2CCC[N@@H+]2CCn2cc([N+](=O)[O-])ccc2=O)c1 ZINC000090552446 454321323 /nfs/dbraw/zinc/32/13/23/454321323.db2.gz HESUYMZYGFPLFH-SFHVURJKSA-N 1 0 341.411 3.210 20 5 EGBDRO Cc1cc(C(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000047216264 454342161 /nfs/dbraw/zinc/34/21/61/454342161.db2.gz FZLRSEMTPOONBB-GJZGRUSLSA-N 1 0 347.459 3.391 20 5 EGBDRO CC(=O)c1ccc(N2CC[NH+](CC3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000064129216 454466982 /nfs/dbraw/zinc/46/69/82/454466982.db2.gz KIYBYELZMFYZJU-UHFFFAOYSA-N 1 0 345.443 3.500 20 5 EGBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000064130747 454468180 /nfs/dbraw/zinc/46/81/80/454468180.db2.gz YBXWJIQQFFINAF-UHFFFAOYSA-N 1 0 346.431 3.325 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)cn1 ZINC000073869922 454494744 /nfs/dbraw/zinc/49/47/44/454494744.db2.gz QOGRNAZEFUKHPH-UHFFFAOYSA-N 1 0 346.818 3.356 20 5 EGBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000065140921 454532462 /nfs/dbraw/zinc/53/24/62/454532462.db2.gz ZJSQUUKVRZLPMN-GDBMZVCRSA-N 1 0 339.395 3.160 20 5 EGBDRO C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cn2)CC[N@@H+]1Cc1ccccc1 ZINC000080230847 454552852 /nfs/dbraw/zinc/55/28/52/454552852.db2.gz WNAAKHMDPUUQCH-GOEBONIOSA-N 1 0 326.400 3.455 20 5 EGBDRO CC(C)[NH+](CCCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000074331413 454566346 /nfs/dbraw/zinc/56/63/46/454566346.db2.gz LADVJTTVOFMJDG-UHFFFAOYSA-N 1 0 349.475 3.498 20 5 EGBDRO CS[C@H]1CCCC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000134601944 454567134 /nfs/dbraw/zinc/56/71/34/454567134.db2.gz CKCYRQOUXTWGAW-WFASDCNBSA-N 1 0 337.445 3.139 20 5 EGBDRO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000134627619 454570475 /nfs/dbraw/zinc/57/04/75/454570475.db2.gz ZWEJPMJTNGYBCO-HIFRSBDPSA-N 1 0 349.431 3.472 20 5 EGBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000092629360 454596689 /nfs/dbraw/zinc/59/66/89/454596689.db2.gz FRBINZOSIHWJRU-INIZCTEOSA-N 1 0 332.448 3.247 20 5 EGBDRO COCc1cc([N+](=O)[O-])ccc1NCC[N@H+](C)Cc1ccccc1 ZINC000080583140 454602422 /nfs/dbraw/zinc/60/24/22/454602422.db2.gz BXBGHEIITMHZLL-UHFFFAOYSA-N 1 0 329.400 3.285 20 5 EGBDRO C[NH+](C)CCN(C(=O)c1ccc([N+](=O)[O-])cc1F)C1CCCCC1 ZINC000065746394 454618691 /nfs/dbraw/zinc/61/86/91/454618691.db2.gz RLRQYPQRQBBZKI-UHFFFAOYSA-N 1 0 337.395 3.070 20 5 EGBDRO Cc1cc(NC[C@H](C)[N@@H+]2CCc3ccccc3C2)ncc1[N+](=O)[O-] ZINC000074739733 454626987 /nfs/dbraw/zinc/62/69/87/454626987.db2.gz AKYJMHZQWQKTBQ-AWEZNQCLSA-N 1 0 326.400 3.157 20 5 EGBDRO Cc1cc(NC[C@H]2CC[N@H+](CCc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000074747757 454628808 /nfs/dbraw/zinc/62/88/08/454628808.db2.gz NFTUSDPLZQIWQJ-QGZVFWFLSA-N 1 0 340.427 3.275 20 5 EGBDRO Cc1cc(N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000074767823 454632460 /nfs/dbraw/zinc/63/24/60/454632460.db2.gz ZJPUHTBWVROQDG-INIZCTEOSA-N 1 0 326.400 3.009 20 5 EGBDRO COc1ccc(CN2CCC([NH+]3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC000052005645 454646093 /nfs/dbraw/zinc/64/60/93/454646093.db2.gz YGHXVQPSLCVKKT-UHFFFAOYSA-N 1 0 333.432 3.054 20 5 EGBDRO O=C(NC1CCCCC1)C1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000065964331 454646774 /nfs/dbraw/zinc/64/67/74/454646774.db2.gz SCDIMFJKYWWBHW-UHFFFAOYSA-N 1 0 345.443 3.256 20 5 EGBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](Cc2nccn2C)C1 ZINC000123832794 454680166 /nfs/dbraw/zinc/68/01/66/454680166.db2.gz BXOAWVKUPJIYSO-LSDHHAIUSA-N 1 0 328.416 3.344 20 5 EGBDRO C[C@H](O)C[C@H]1CCC[N@@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000093482116 454718170 /nfs/dbraw/zinc/71/81/70/454718170.db2.gz LPJBYVLPZZIHOY-SWLSCSKDSA-N 1 0 347.440 3.454 20 5 EGBDRO COCc1cc([N+](=O)[O-])ccc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000161888520 454733131 /nfs/dbraw/zinc/73/31/31/454733131.db2.gz BZMXISKDCJYWLX-KUHUBIRLSA-N 1 0 345.443 3.194 20 5 EGBDRO COCC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@H]1CC[C@H](C)C1 ZINC000616873172 460650904 /nfs/dbraw/zinc/65/09/04/460650904.db2.gz WUDXPUQMMPYHKC-STQMWFEESA-N 1 0 333.388 3.373 20 5 EGBDRO Cc1nccn1CCC[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000136296233 454733667 /nfs/dbraw/zinc/73/36/67/454733667.db2.gz FMLFZAPRPSZCPF-UHFFFAOYSA-N 1 0 346.431 3.409 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000093865775 454742208 /nfs/dbraw/zinc/74/22/08/454742208.db2.gz YTMZADSIYVJSSH-RCFWFJCLSA-N 1 0 325.368 3.156 20 5 EGBDRO C[NH+](C)CCCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000107194797 454746074 /nfs/dbraw/zinc/74/60/74/454746074.db2.gz QDPFHJWARLBKLW-UHFFFAOYSA-N 1 0 349.412 3.239 20 5 EGBDRO C[C@H](O)[C@@H]1CCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000136827880 454757959 /nfs/dbraw/zinc/75/79/59/454757959.db2.gz XIZVRPSGGZYCNS-UONOGXRCSA-N 1 0 330.384 3.448 20 5 EGBDRO C[C@@H](O)[C@H]1CCC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000136845030 454758613 /nfs/dbraw/zinc/75/86/13/454758613.db2.gz IZVBJMLNHMWISC-HIFRSBDPSA-N 1 0 330.384 3.448 20 5 EGBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000176713108 454773626 /nfs/dbraw/zinc/77/36/26/454773626.db2.gz HALYTKMEDAQYTC-GDBMZVCRSA-N 1 0 348.447 3.090 20 5 EGBDRO CC[NH+](CC)[C@H]1CCN(C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000176713092 454773835 /nfs/dbraw/zinc/77/38/35/454773835.db2.gz HALYTKMEDAQYTC-HOCLYGCPSA-N 1 0 348.447 3.090 20 5 EGBDRO CC[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)Cc1ccccn1 ZINC000125312075 454813231 /nfs/dbraw/zinc/81/32/31/454813231.db2.gz WHTZPZWNRYLLPZ-UHFFFAOYSA-N 1 0 342.399 3.149 20 5 EGBDRO Cc1cc(NC(=O)N2CC[NH+](C3CCCCC3)CC2)ccc1[N+](=O)[O-] ZINC000153632742 454814686 /nfs/dbraw/zinc/81/46/86/454814686.db2.gz YIWAJPZRSNUMJG-UHFFFAOYSA-N 1 0 346.431 3.385 20 5 EGBDRO CCOc1ccc([C@H](C)N[C@H]2CC[N@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000153694975 454822349 /nfs/dbraw/zinc/82/23/49/454822349.db2.gz DRBFSAHVESXNRR-BBRMVZONSA-N 1 0 333.432 3.128 20 5 EGBDRO CC[NH+]1CCC(CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000146055289 454855622 /nfs/dbraw/zinc/85/56/22/454855622.db2.gz CETYSABVUUHXNA-UHFFFAOYSA-N 1 0 340.811 3.102 20 5 EGBDRO CC[N@H+](CCc1ccccc1)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000154069040 454862860 /nfs/dbraw/zinc/86/28/60/454862860.db2.gz OOQCNLBHRXAWMH-HNNXBMFYSA-N 1 0 341.411 3.486 20 5 EGBDRO Cc1ccc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)nc1 ZINC000154137675 454868400 /nfs/dbraw/zinc/86/84/00/454868400.db2.gz OBHQWZCNBPCWGR-UHFFFAOYSA-N 1 0 327.384 3.342 20 5 EGBDRO C[C@@H]1[C@H](c2ccccc2)CC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000177560164 454878015 /nfs/dbraw/zinc/87/80/15/454878015.db2.gz JXSIEFNJXPWELX-CXAGYDPISA-N 1 0 339.395 3.072 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[NH+]1CCC(OC[C@H]2CCCCO2)CC1 ZINC000177583237 454880471 /nfs/dbraw/zinc/88/04/71/454880471.db2.gz QDTBBKGMFSFUEH-QGZVFWFLSA-N 1 0 334.416 3.145 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC(OC[C@@H]3CCCCO3)CC2)cc1 ZINC000177601171 454882723 /nfs/dbraw/zinc/88/27/23/454882723.db2.gz MSCRJWDMUZORMM-SFHVURJKSA-N 1 0 334.416 3.145 20 5 EGBDRO CC[C@H]([NH2+]CC(=O)Nc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000126317897 454884945 /nfs/dbraw/zinc/88/49/45/454884945.db2.gz KFINUDXLNYXBCL-INIZCTEOSA-N 1 0 331.347 3.413 20 5 EGBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000150850836 454901970 /nfs/dbraw/zinc/90/19/70/454901970.db2.gz XCMGJTBACUULEH-OAGJVSPASA-N 1 0 343.427 3.085 20 5 EGBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000177793394 454906072 /nfs/dbraw/zinc/90/60/72/454906072.db2.gz BEAIBLNADIEBDQ-KGLIPLIRSA-N 1 0 349.456 3.016 20 5 EGBDRO CSCC[C@H](C)[N@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000126644969 454907928 /nfs/dbraw/zinc/90/79/28/454907928.db2.gz UYMLBIJTBPHEJK-NSHDSACASA-N 1 0 326.418 3.035 20 5 EGBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000113197224 454917266 /nfs/dbraw/zinc/91/72/66/454917266.db2.gz GUUSMQWGVUWYDB-CYBMUJFWSA-N 1 0 339.823 3.243 20 5 EGBDRO CC[N@@H+]1CCC[C@@H]1CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000113313837 454921983 /nfs/dbraw/zinc/92/19/83/454921983.db2.gz UNZGPVBVDRMYQS-MRXNPFEDSA-N 1 0 346.456 3.292 20 5 EGBDRO C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCc2ccccc2C1 ZINC000114489769 454957807 /nfs/dbraw/zinc/95/78/07/454957807.db2.gz TVKMBOVPVXMLNG-INIZCTEOSA-N 1 0 339.395 3.023 20 5 EGBDRO C[C@H](O)CC[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000114770949 454977267 /nfs/dbraw/zinc/97/72/67/454977267.db2.gz HGYBJCPJIAIOKS-AWEZNQCLSA-N 1 0 329.400 3.223 20 5 EGBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000127644563 454984412 /nfs/dbraw/zinc/98/44/12/454984412.db2.gz RFGJCMPIQSINFK-CABCVRRESA-N 1 0 346.431 3.302 20 5 EGBDRO CCCN(C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC000178930446 454990685 /nfs/dbraw/zinc/99/06/85/454990685.db2.gz ABFZOCVTCPCRRR-CQSZACIVSA-N 1 0 333.432 3.106 20 5 EGBDRO C[C@H](c1cccnc1)N(C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000127800480 454998932 /nfs/dbraw/zinc/99/89/32/454998932.db2.gz WWYLRVRQMPPLFY-GFCCVEGCSA-N 1 0 339.355 3.233 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]Cc1ccc2c(c1)OCO2)C1CC1 ZINC000152058098 455067805 /nfs/dbraw/zinc/06/78/05/455067805.db2.gz MVNRIMLZXSMSME-INIZCTEOSA-N 1 0 340.379 3.434 20 5 EGBDRO Cc1c([C@H](C)[NH2+]CCC(=O)NC2CCCCC2)cccc1[N+](=O)[O-] ZINC000128704354 455078388 /nfs/dbraw/zinc/07/83/88/455078388.db2.gz JTQHWUBRZUKHSY-AWEZNQCLSA-N 1 0 333.432 3.393 20 5 EGBDRO CC[C@@H]1CCCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000117342839 455083612 /nfs/dbraw/zinc/08/36/12/455083612.db2.gz DVMLPLIDVNZSHX-CYBMUJFWSA-N 1 0 335.404 3.054 20 5 EGBDRO O=[N+]([O-])c1cc(C[NH2+]CCOc2ccc(C(F)(F)F)cn2)cs1 ZINC000152212844 455087877 /nfs/dbraw/zinc/08/78/77/455087877.db2.gz ZSHMRDMJZJAYEK-UHFFFAOYSA-N 1 0 347.318 3.239 20 5 EGBDRO C[N@@H+](Cc1ccccc1)C[C@@H](O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000128861700 455088278 /nfs/dbraw/zinc/08/82/78/455088278.db2.gz NYAWVTJYXGCUSP-GOSISDBHSA-N 1 0 346.452 3.321 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN(C)C[C@H]1CCC[N@H+](C)C1 ZINC000118841641 455113729 /nfs/dbraw/zinc/11/37/29/455113729.db2.gz YIBHYLJPWSCULD-HNNXBMFYSA-N 1 0 335.448 3.156 20 5 EGBDRO O=[N+]([O-])c1cnc(NCC2CCN(c3cc[nH+]cc3)CC2)c(Cl)c1 ZINC000180045787 455121780 /nfs/dbraw/zinc/12/17/80/455121780.db2.gz ZGXJFQIVOONWDA-UHFFFAOYSA-N 1 0 347.806 3.367 20 5 EGBDRO Cc1ccccc1[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)C(C)(C)C ZINC000180084208 455129688 /nfs/dbraw/zinc/12/96/88/455129688.db2.gz YDHIRBRYQZEJDM-SFHVURJKSA-N 1 0 343.427 3.442 20 5 EGBDRO O=[N+]([O-])c1cnn(CC[NH2+]CC(c2ccccc2)c2ccccc2)c1 ZINC000180246042 455151142 /nfs/dbraw/zinc/15/11/42/455151142.db2.gz JFGVEDRXQPNWMR-UHFFFAOYSA-N 1 0 336.395 3.213 20 5 EGBDRO CO[C@]1(C)C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1(C)C ZINC000237272222 455167025 /nfs/dbraw/zinc/16/70/25/455167025.db2.gz POWJQWSZFVUCQD-XJKSGUPXSA-N 1 0 344.358 3.489 20 5 EGBDRO C[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000180437313 455170404 /nfs/dbraw/zinc/17/04/04/455170404.db2.gz FTVJISZSJOJLQC-GFCCVEGCSA-N 1 0 331.328 3.233 20 5 EGBDRO CO[C@H]1C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC[C@H]1C ZINC000189290963 455170639 /nfs/dbraw/zinc/17/06/39/455170639.db2.gz RRVZGZNJGMNWNU-DYVFJYSZSA-N 1 0 345.399 3.149 20 5 EGBDRO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)NCC1CCCCC1 ZINC000180452328 455172542 /nfs/dbraw/zinc/17/25/42/455172542.db2.gz ARBMUOBQXZSMLD-KBPBESRZSA-N 1 0 333.432 3.330 20 5 EGBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@H](CC(F)(F)F)c2ccc(F)cc2)n1 ZINC000180549103 455193967 /nfs/dbraw/zinc/19/39/67/455193967.db2.gz XYAYPHMGRDDODK-GFCCVEGCSA-N 1 0 346.284 3.214 20 5 EGBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCCC2(CCCCC2)CC1 ZINC000190320741 455297528 /nfs/dbraw/zinc/29/75/28/455297528.db2.gz OZKGLIDWCJFQNI-UHFFFAOYSA-N 1 0 333.432 3.193 20 5 EGBDRO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000245441505 455300321 /nfs/dbraw/zinc/30/03/21/455300321.db2.gz HJWZCWFSNRFEAJ-JKIFEVAISA-N 1 0 343.427 3.137 20 5 EGBDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000183606220 455310909 /nfs/dbraw/zinc/31/09/09/455310909.db2.gz GVLJCOVACYYHNN-ZDUSSCGKSA-N 1 0 349.435 3.012 20 5 EGBDRO CCCNC(=O)[C@@H]1CCC[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000245527676 455321962 /nfs/dbraw/zinc/32/19/62/455321962.db2.gz QENMQLDPZBOTEP-HUUCEWRRSA-N 1 0 333.432 3.202 20 5 EGBDRO Cc1cccc(C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1[N+](=O)[O-] ZINC000181660649 455370017 /nfs/dbraw/zinc/37/00/17/455370017.db2.gz KQQXXXIZKMTEKK-GJZGRUSLSA-N 1 0 345.443 3.286 20 5 EGBDRO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)C[C@@H]1CCCC[C@H]1O ZINC000245968637 455408426 /nfs/dbraw/zinc/40/84/26/455408426.db2.gz NULDPAMNDRLAFR-SMDDNHRTSA-N 1 0 344.358 3.179 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1[C@H](C)C[C@H]2CCCC[C@H]21 ZINC000246223753 455452848 /nfs/dbraw/zinc/45/28/48/455452848.db2.gz ZUTWOJZLNAXEMK-XJKCOSOUSA-N 1 0 347.415 3.195 20 5 EGBDRO CC[C@@H]([NH2+]CCOc1ccc(OC)cc1[N+](=O)[O-])c1c(C)noc1C ZINC000182420912 455511209 /nfs/dbraw/zinc/51/12/09/455511209.db2.gz HEOQDOFNKQKOJK-CQSZACIVSA-N 1 0 349.387 3.328 20 5 EGBDRO C[NH+](C)[C@@H]1CCC[C@@H](Nc2ncc([N+](=O)[O-])cc2Br)C1 ZINC000267262725 455526553 /nfs/dbraw/zinc/52/65/53/455526553.db2.gz KTAUOTFHVCBEJA-NXEZZACHSA-N 1 0 343.225 3.037 20 5 EGBDRO CC(=O)c1ccc(NCCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000267973801 455573167 /nfs/dbraw/zinc/57/31/67/455573167.db2.gz WHKQDTFGQNNQTB-ZIAGYGMSSA-N 1 0 349.431 3.099 20 5 EGBDRO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185692925 455598274 /nfs/dbraw/zinc/59/82/74/455598274.db2.gz YOPNAVZWRRSZGT-CVEARBPZSA-N 1 0 347.459 3.216 20 5 EGBDRO C[C@@H]1CCN(c2ncc([N+](=O)[O-])s2)CC[N@@H+]1Cc1ccccc1 ZINC000192472266 455626693 /nfs/dbraw/zinc/62/66/93/455626693.db2.gz OZJCYWPXKJYYOI-CYBMUJFWSA-N 1 0 332.429 3.152 20 5 EGBDRO Cc1c([C@H](C)[NH2+][C@H](CO)C[C@@H](O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000271465076 455647566 /nfs/dbraw/zinc/64/75/66/455647566.db2.gz GQGQFCYUOATSLJ-URLQWDBASA-N 1 0 344.411 3.038 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H](O)c1ccccc1F)CCC2 ZINC000192711781 455675979 /nfs/dbraw/zinc/67/59/79/455675979.db2.gz MAMOEWVSDQNUAG-QZTJIDSGSA-N 1 0 330.359 3.435 20 5 EGBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000248065614 455677495 /nfs/dbraw/zinc/67/74/95/455677495.db2.gz FBHRQYRVTITADV-VBQJREDUSA-N 1 0 331.416 3.072 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCCOCC1CCOCC1)CCC2 ZINC000192888293 455712981 /nfs/dbraw/zinc/71/29/81/455712981.db2.gz ZPOKEYALXXISHI-IBGZPJMESA-N 1 0 348.443 3.395 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)n1 ZINC000268849240 455715806 /nfs/dbraw/zinc/71/58/06/455715806.db2.gz XTSOYUFSJMUGGV-HOTGVXAUSA-N 1 0 332.448 3.389 20 5 EGBDRO COc1ccc([C@@H](CNc2ccccc2[N+](=O)[O-])[NH+](C)C)cc1OC ZINC000192905897 455716128 /nfs/dbraw/zinc/71/61/28/455716128.db2.gz LLJKXJKNESDAIC-MRXNPFEDSA-N 1 0 345.399 3.327 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(NC[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000192952704 455725059 /nfs/dbraw/zinc/72/50/59/455725059.db2.gz CAFWYYLJPAWHAX-MRXNPFEDSA-N 1 0 326.400 3.232 20 5 EGBDRO Cc1ccnc(NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000192956650 455726006 /nfs/dbraw/zinc/72/60/06/455726006.db2.gz NOVUWBIVRAVXQG-INIZCTEOSA-N 1 0 326.400 3.232 20 5 EGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@](C)(O)c1ccccc1 ZINC000268923105 455731532 /nfs/dbraw/zinc/73/15/32/455731532.db2.gz XJFWHHRAYNUXDP-KXBFYZLASA-N 1 0 328.412 3.413 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCNc1ccccn1)C1CC1 ZINC000268950309 455741924 /nfs/dbraw/zinc/74/19/24/455741924.db2.gz CEASXGAWYFIFIM-MRXNPFEDSA-N 1 0 326.400 3.013 20 5 EGBDRO CCCCC[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000271761002 455751013 /nfs/dbraw/zinc/75/10/13/455751013.db2.gz CVTVZZAAUMHFLD-ROUUACIJSA-N 1 0 346.431 3.063 20 5 EGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1COC2(CCCC2)O1 ZINC000271805332 455767452 /nfs/dbraw/zinc/76/74/52/455767452.db2.gz YFSLQLANENUTLB-ZBFHGGJFSA-N 1 0 334.416 3.191 20 5 EGBDRO CCC[N@H+](CC)CCNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000269218517 455814313 /nfs/dbraw/zinc/81/43/13/455814313.db2.gz CMXFGNXUNLJTNM-UHFFFAOYSA-N 1 0 348.447 3.001 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)c1 ZINC000271991736 455814908 /nfs/dbraw/zinc/81/49/08/455814908.db2.gz GMQSPUNTQPKQTD-OAHLLOKOSA-N 1 0 341.411 3.154 20 5 EGBDRO COc1ccc(C[N@H+](C)C/C=C\c2ccccc2[N+](=O)[O-])cc1O ZINC000255693330 455872343 /nfs/dbraw/zinc/87/23/43/455872343.db2.gz KOHZYTSKKXSXJT-ALCCZGGFSA-N 1 0 328.368 3.454 20 5 EGBDRO CC(C)CSCC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000270083114 455873548 /nfs/dbraw/zinc/87/35/48/455873548.db2.gz JWDNDFFNEUYZOV-UHFFFAOYSA-N 1 0 348.472 3.474 20 5 EGBDRO Cc1ccc(C(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000187180036 455877002 /nfs/dbraw/zinc/87/70/02/455877002.db2.gz CLDZPFTUYNKENE-KSSFIOAISA-N 1 0 341.411 3.324 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000296262776 455895128 /nfs/dbraw/zinc/89/51/28/455895128.db2.gz OEGOIOCSLSKWGO-DJIMGWMZSA-N 1 0 334.416 3.285 20 5 EGBDRO CN(CC[N@H+](C)C1CCCCC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000195225364 455934914 /nfs/dbraw/zinc/93/49/14/455934914.db2.gz DMOHEEWZYXDZCS-UHFFFAOYSA-N 1 0 334.420 3.323 20 5 EGBDRO O=[N+]([O-])c1cc2c(ncnc2NCC[NH2+]C2CCCCCC2)s1 ZINC000261914462 455970030 /nfs/dbraw/zinc/97/00/30/455970030.db2.gz QPYPNARRPJFTJM-UHFFFAOYSA-N 1 0 335.433 3.324 20 5 EGBDRO C[C@H](C1CC[NH+](C)CC1)N(C)c1ccc([N+](=O)[O-])c2cnccc21 ZINC000272501119 455972862 /nfs/dbraw/zinc/97/28/62/455972862.db2.gz LIMKJSAMGYAZTB-CYBMUJFWSA-N 1 0 328.416 3.310 20 5 EGBDRO COc1cc(NC2CC[NH+](CC(C)C)CC2)c(F)cc1[N+](=O)[O-] ZINC000270580917 455988918 /nfs/dbraw/zinc/98/89/18/455988918.db2.gz SCSNCIADTLZWNZ-UHFFFAOYSA-N 1 0 325.384 3.275 20 5 EGBDRO C[NH2+]CCC1CCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 ZINC000262050007 455990104 /nfs/dbraw/zinc/99/01/04/455990104.db2.gz MLGGJBAZQPSPJG-UHFFFAOYSA-N 1 0 347.459 3.354 20 5 EGBDRO Cc1cc(C(=O)Nc2ncc(C3CC[NH2+]CC3)s2)cc([N+](=O)[O-])c1 ZINC000262077594 455993807 /nfs/dbraw/zinc/99/38/07/455993807.db2.gz QACMOTDQEORABO-UHFFFAOYSA-N 1 0 346.412 3.079 20 5 EGBDRO Cc1cc(C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000195692205 455994611 /nfs/dbraw/zinc/99/46/11/455994611.db2.gz OHDVKNWOOTWFGC-GASCZTMLSA-N 1 0 333.432 3.001 20 5 EGBDRO CC(C)c1ccc(CN2CC[NH2+]C[C@H]2c2ccncc2)cc1[N+](=O)[O-] ZINC000262125261 456000931 /nfs/dbraw/zinc/00/09/31/456000931.db2.gz XPIZQVUQGJRCFK-IBGZPJMESA-N 1 0 340.427 3.260 20 5 EGBDRO C[C@@H](NC(=O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000296669043 456005943 /nfs/dbraw/zinc/00/59/43/456005943.db2.gz GQIDACITZBPFES-UONOGXRCSA-N 1 0 327.384 3.123 20 5 EGBDRO CCC(=O)c1ccc(N2CC[C@H](C3CC[NH+](C)CC3)C2)c([N+](=O)[O-])c1 ZINC000280812371 456057689 /nfs/dbraw/zinc/05/76/89/456057689.db2.gz XEMKGLDYNRAYCE-INIZCTEOSA-N 1 0 345.443 3.356 20 5 EGBDRO CCN(C)[C@@H](C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1)c1ccccc1 ZINC000272823459 456081371 /nfs/dbraw/zinc/08/13/71/456081371.db2.gz PPRXFLDTUYJHSS-QGZVFWFLSA-N 1 0 343.383 3.235 20 5 EGBDRO CCOc1cc(CN2C[C@@H]3CCCC[N@@H+]3C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000332496235 456084325 /nfs/dbraw/zinc/08/43/25/456084325.db2.gz BWEIEWXFWHZDJK-HOCLYGCPSA-N 1 0 333.432 3.052 20 5 EGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCn1ccnc1C ZINC000271024141 456100975 /nfs/dbraw/zinc/10/09/75/456100975.db2.gz AWRHNHISTHGOJV-AWEZNQCLSA-N 1 0 334.445 3.260 20 5 EGBDRO CCOc1ccc([C@H](C)[NH2+]CCN(C)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000271072866 456117948 /nfs/dbraw/zinc/11/79/48/456117948.db2.gz FTKDMLWMRDTLOZ-NSHDSACASA-N 1 0 349.353 3.138 20 5 EGBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000281078383 456127736 /nfs/dbraw/zinc/12/77/36/456127736.db2.gz JBPGDBUHTUMVKW-VXGBXAGGSA-N 1 0 341.358 3.337 20 5 EGBDRO O=C(C[N@@H+]1CCC[C@H]2CCCC[C@H]21)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000230115483 456132169 /nfs/dbraw/zinc/13/21/69/456132169.db2.gz QPSBPVWORKUNRA-RHSMWYFYSA-N 1 0 343.427 3.139 20 5 EGBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)c1ccc(Br)cc1[N+](=O)[O-] ZINC000301519522 456136529 /nfs/dbraw/zinc/13/65/29/456136529.db2.gz FBHYDMJICHKFHW-PWSUYJOCSA-N 1 0 342.237 3.134 20 5 EGBDRO C[C@H]1C[C@@H](Nc2ncccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000301563185 456148253 /nfs/dbraw/zinc/14/82/53/456148253.db2.gz VJSYADNDOLDQGS-HOCLYGCPSA-N 1 0 326.400 3.455 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](C)C[NH+]1CCCCCC1 ZINC000188856182 456153655 /nfs/dbraw/zinc/15/36/55/456153655.db2.gz LOLDYDQOKSOQAD-AWEZNQCLSA-N 1 0 334.420 3.289 20 5 EGBDRO Cc1cccc([C@@H]2CC[N@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)c1 ZINC000273039716 456156709 /nfs/dbraw/zinc/15/67/09/456156709.db2.gz DQIBNGPCXBVSMS-IEBWSBKVSA-N 1 0 326.396 3.426 20 5 EGBDRO Cc1nc(NC[C@H](C)[N@@H+]2CCc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000301618697 456163605 /nfs/dbraw/zinc/16/36/05/456163605.db2.gz DBADYQPMTFYOQW-ZDUSSCGKSA-N 1 0 326.400 3.157 20 5 EGBDRO Cc1nc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)ccc1[N+](=O)[O-] ZINC000301638587 456170962 /nfs/dbraw/zinc/17/09/62/456170962.db2.gz LOYOQQGTHBTUCV-INIZCTEOSA-N 1 0 332.448 3.391 20 5 EGBDRO Cc1c(NC(=O)CC[N@@H+]2CCC(F)(F)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000289931322 456185942 /nfs/dbraw/zinc/18/59/42/456185942.db2.gz UWEKLJIMVNWFMT-NSHDSACASA-N 1 0 341.358 3.209 20 5 EGBDRO Cc1nc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)ncc1[N+](=O)[O-] ZINC000297359193 456197968 /nfs/dbraw/zinc/19/79/68/456197968.db2.gz BZAUWNGIKNKJBT-CZUORRHYSA-N 1 0 341.415 3.016 20 5 EGBDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000263707928 456198292 /nfs/dbraw/zinc/19/82/92/456198292.db2.gz BMCDHZMOICYYQZ-CYBMUJFWSA-N 1 0 346.431 3.316 20 5 EGBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H]1CCOC(C)(C)C1 ZINC000289978599 456204466 /nfs/dbraw/zinc/20/44/66/456204466.db2.gz XNWFLUGEUCKSLM-CQSZACIVSA-N 1 0 337.376 3.283 20 5 EGBDRO CC(C)C[N@@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000301807176 456219407 /nfs/dbraw/zinc/21/94/07/456219407.db2.gz YGNZIWICYMMFDR-ZDUSSCGKSA-N 1 0 336.392 3.283 20 5 EGBDRO COCCOCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000237084296 456229122 /nfs/dbraw/zinc/22/91/22/456229122.db2.gz LPINUMQECKNAGK-UHFFFAOYSA-N 1 0 336.413 3.076 20 5 EGBDRO C[C@H]1CN(Cc2cccc(CNc3sccc3[N+](=O)[O-])c2)CCO1 ZINC000301984081 456263838 /nfs/dbraw/zinc/26/38/38/456263838.db2.gz ITSLCWGOFIJFIL-ZDUSSCGKSA-N 1 0 347.440 3.489 20 5 EGBDRO C[C@H](Nc1nc2sccn2c1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000302050094 456275750 /nfs/dbraw/zinc/27/57/50/456275750.db2.gz NKLYDPGWXQTNEQ-NWDGAFQWSA-N 1 0 349.460 3.369 20 5 EGBDRO COc1ncccc1CC[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000290268822 456278127 /nfs/dbraw/zinc/27/81/27/456278127.db2.gz WABMBDWHQGDUTG-AWEZNQCLSA-N 1 0 329.400 3.152 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@H](C)c1ccco1 ZINC000297733736 456281923 /nfs/dbraw/zinc/28/19/23/456281923.db2.gz CBWQWZOFCKDWDE-GFCCVEGCSA-N 1 0 347.371 3.218 20 5 EGBDRO Cc1cnc(N(CC[NH+](C)C)Cc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000347652521 456281874 /nfs/dbraw/zinc/28/18/74/456281874.db2.gz SKMANKMJFCOBIU-UHFFFAOYSA-N 1 0 332.379 3.006 20 5 EGBDRO CC(=O)NCC[C@@H]1CCC[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000347666310 456290896 /nfs/dbraw/zinc/29/08/96/456290896.db2.gz RYCNZZSXBVMJIH-HOCLYGCPSA-N 1 0 333.432 3.202 20 5 EGBDRO CC[C@@H](C)[NH+]1CCN(C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)CC1 ZINC000297789204 456296308 /nfs/dbraw/zinc/29/63/08/456296308.db2.gz MOMJLSGJFKPIMA-CQSZACIVSA-N 1 0 334.420 3.160 20 5 EGBDRO Cc1cc(N[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)ncc1[N+](=O)[O-] ZINC000336696974 456308829 /nfs/dbraw/zinc/30/88/29/456308829.db2.gz JDSAJIGENOGJKT-HOCLYGCPSA-N 1 0 326.400 3.373 20 5 EGBDRO Cc1nc(N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000302188784 456311067 /nfs/dbraw/zinc/31/10/67/456311067.db2.gz XLLGSAQPXBZJTI-CZUORRHYSA-N 1 0 326.400 3.231 20 5 EGBDRO Cc1nc(N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000302188785 456311185 /nfs/dbraw/zinc/31/11/85/456311185.db2.gz XLLGSAQPXBZJTI-XJKSGUPXSA-N 1 0 326.400 3.231 20 5 EGBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C[C@@H]1C ZINC000342925437 456318300 /nfs/dbraw/zinc/31/83/00/456318300.db2.gz AXSQCSLZEZZTSI-QWHCGFSZSA-N 1 0 344.415 3.021 20 5 EGBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C[C@H]1C ZINC000342925436 456318770 /nfs/dbraw/zinc/31/87/70/456318770.db2.gz AXSQCSLZEZZTSI-OLZOCXBDSA-N 1 0 344.415 3.021 20 5 EGBDRO COc1ccc(NC(=O)CC[N@H+]([C@@H](C)C2CC2)C2CC2)c([N+](=O)[O-])c1 ZINC000297966295 456334507 /nfs/dbraw/zinc/33/45/07/456334507.db2.gz UWTQGULPFQCYAJ-LBPRGKRZSA-N 1 0 347.415 3.195 20 5 EGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000352822944 456337749 /nfs/dbraw/zinc/33/77/49/456337749.db2.gz IWOJGILCOVZBSG-BXUZGUMPSA-N 1 0 332.322 3.435 20 5 EGBDRO CN(C[C@@H]1CC[N@H+](C)[C@@H]1c1cccnc1)c1c(F)cccc1[N+](=O)[O-] ZINC000343015481 456357391 /nfs/dbraw/zinc/35/73/91/456357391.db2.gz MPDOHQZBEFHGSR-WMLDXEAASA-N 1 0 344.390 3.258 20 5 EGBDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000347829761 456390191 /nfs/dbraw/zinc/39/01/91/456390191.db2.gz ZGENEKWZBBPMAV-GFCCVEGCSA-N 1 0 339.461 3.287 20 5 EGBDRO CC1CC[NH+](CCCCNc2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000302858919 456419315 /nfs/dbraw/zinc/41/93/15/456419315.db2.gz TYOCQEYKXRUGJR-UHFFFAOYSA-N 1 0 332.448 3.487 20 5 EGBDRO O=C(CCC[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])NC1CC1 ZINC000290814457 456435336 /nfs/dbraw/zinc/43/53/36/456435336.db2.gz GJZRRMUYMXREKC-UHFFFAOYSA-N 1 0 346.214 3.050 20 5 EGBDRO C[NH+]1CCC(Nc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000298382540 456441414 /nfs/dbraw/zinc/44/14/14/456441414.db2.gz CCQBOGQTFBSAQZ-UHFFFAOYSA-N 1 0 348.281 3.028 20 5 EGBDRO CCC[N@@H+]1CC[C@H](CNC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)C1 ZINC000276399489 456469062 /nfs/dbraw/zinc/46/90/62/456469062.db2.gz KGHVGTKQUWZBSB-CQSZACIVSA-N 1 0 334.420 3.065 20 5 EGBDRO C[C@@](O)(C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1ccco1 ZINC000290928077 456469986 /nfs/dbraw/zinc/46/99/86/456469986.db2.gz RNBDLJNVWRPPMJ-CQSZACIVSA-N 1 0 345.182 3.492 20 5 EGBDRO COc1ncccc1CC[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000353067028 456470955 /nfs/dbraw/zinc/47/09/55/456470955.db2.gz AATRGQRUBQNJMV-UHFFFAOYSA-N 1 0 329.400 3.454 20 5 EGBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000340493055 456490366 /nfs/dbraw/zinc/49/03/66/456490366.db2.gz POYJDMIYOOCVFF-UMVBOHGHSA-N 1 0 349.406 3.211 20 5 EGBDRO CC(C)(C)[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000353145708 456521600 /nfs/dbraw/zinc/52/16/00/456521600.db2.gz XJNOSIQDQXTVKZ-UKRRQHHQSA-N 1 0 339.823 3.031 20 5 EGBDRO C[C@@H]1C[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CN1Cc1ccccc1 ZINC000305216375 456538557 /nfs/dbraw/zinc/53/85/57/456538557.db2.gz IXUKKKHQIJZABW-APWZRJJASA-N 1 0 339.439 3.390 20 5 EGBDRO O=[N+]([O-])c1ccc(CN2CCC(Oc3ccc(F)nc3)CC2)cc1F ZINC000282560371 456552815 /nfs/dbraw/zinc/55/28/15/456552815.db2.gz UGBDDOAINVNYEW-UHFFFAOYSA-N 1 0 349.337 3.311 20 5 EGBDRO Cn1cc(-c2ccc(C[NH2+]CCc3ccc([N+](=O)[O-])cc3)s2)cn1 ZINC000337810754 456561778 /nfs/dbraw/zinc/56/17/78/456561778.db2.gz MFMHYIMEJSIHDS-UHFFFAOYSA-N 1 0 342.424 3.389 20 5 EGBDRO CC(C)(CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)C[NH+]1CCCC1 ZINC000276814830 456588813 /nfs/dbraw/zinc/58/88/13/456588813.db2.gz GJJBDFUQFJUYAW-UHFFFAOYSA-N 1 0 347.459 3.111 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCO[C@H]1c1ccnn1C(C)C ZINC000343399398 456594070 /nfs/dbraw/zinc/59/40/70/456594070.db2.gz VHEDPKWMZZAVNW-SJLPKXTDSA-N 1 0 344.415 3.300 20 5 EGBDRO CC[C@H]1[C@@H](C)CC[N@@H+]1CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000299343666 456663205 /nfs/dbraw/zinc/66/32/05/456663205.db2.gz OXXOQPYSMJVCKY-WFASDCNBSA-N 1 0 335.404 3.052 20 5 EGBDRO COc1cc2c(cc1C[NH2+]CCc1ccc([N+](=O)[O-])cc1)O[C@@H](C)C2 ZINC000327388737 456706341 /nfs/dbraw/zinc/70/63/41/456706341.db2.gz QUTNSYHVWUANNU-ZDUSSCGKSA-N 1 0 342.395 3.259 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](C[C@@H]3CCCC(F)(F)C3)C2)nc1 ZINC000338272456 456743063 /nfs/dbraw/zinc/74/30/63/456743063.db2.gz CNBLGSIVYRMYNE-OLZOCXBDSA-N 1 0 340.374 3.302 20 5 EGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](Cc2nccn2C)C1 ZINC000340892706 456744824 /nfs/dbraw/zinc/74/48/24/456744824.db2.gz BTNZOCGSVDROOV-GJZGRUSLSA-N 1 0 328.416 3.344 20 5 EGBDRO Cc1cccc(C[N@H+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)n1 ZINC000348540552 456750276 /nfs/dbraw/zinc/75/02/76/456750276.db2.gz XXDPGBFUMQGLAX-UHFFFAOYSA-N 1 0 342.399 3.067 20 5 EGBDRO C[NH+](C)[C@@]1(CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCSC1 ZINC000338297852 456756229 /nfs/dbraw/zinc/75/62/29/456756229.db2.gz YSZUFUZTTRCSTM-CYBMUJFWSA-N 1 0 349.378 3.463 20 5 EGBDRO C[N@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CCC[C@@H]1O ZINC000348560557 456768225 /nfs/dbraw/zinc/76/82/25/456768225.db2.gz VKDAUSFFYJXRBV-GJZGRUSLSA-N 1 0 333.413 3.064 20 5 EGBDRO C[C@@H]([NH2+][C@@H]1CCc2ccccc2NC1=O)c1cccc([N+](=O)[O-])c1 ZINC000299700456 456769820 /nfs/dbraw/zinc/76/98/20/456769820.db2.gz OYKJSGKKNVWHHT-SJKOYZFVSA-N 1 0 325.368 3.199 20 5 EGBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cccc2c1OCCCO2 ZINC000348670574 456809837 /nfs/dbraw/zinc/80/98/37/456809837.db2.gz JFFJSDXYWCTMMJ-UHFFFAOYSA-N 1 0 342.395 3.431 20 5 EGBDRO COc1cc(C[NH2+][C@H](C)[C@@H]2COc3ccccc32)ccc1[N+](=O)[O-] ZINC000348771863 456850023 /nfs/dbraw/zinc/85/00/23/456850023.db2.gz HULCZJUMJNPVFB-DOMZBBRYSA-N 1 0 328.368 3.258 20 5 EGBDRO C[C@H](CCNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)[NH+]1CCCCC1 ZINC000344946667 456873552 /nfs/dbraw/zinc/87/35/52/456873552.db2.gz RPRBXGOLGUKILU-CYBMUJFWSA-N 1 0 344.415 3.070 20 5 EGBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CC[C@]3(CCOC3)C2)c1 ZINC000339013888 456900320 /nfs/dbraw/zinc/90/03/20/456900320.db2.gz MOGFCVMAVGJXNZ-AWEZNQCLSA-N 1 0 330.306 3.226 20 5 EGBDRO C[C@H](O)C[C@@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000339050954 456916820 /nfs/dbraw/zinc/91/68/20/456916820.db2.gz BQAXPZXBQCVDLG-JQWIXIFHSA-N 1 0 332.322 3.349 20 5 EGBDRO CC[NH+](CC)CCO[C@@H]1CCN(c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000349250538 456924334 /nfs/dbraw/zinc/92/43/34/456924334.db2.gz GYSJGCMQJNVKGN-CQSZACIVSA-N 1 0 341.839 3.185 20 5 EGBDRO CC(=O)c1cc(NCC[N@@H+](C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000341821962 456959313 /nfs/dbraw/zinc/95/93/13/456959313.db2.gz JXSPIZYJBTUNJL-UHFFFAOYSA-N 1 0 327.384 3.341 20 5 EGBDRO CC[C@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1ccccc1 ZINC000339259493 457023966 /nfs/dbraw/zinc/02/39/66/457023966.db2.gz PHMAQHWZOKQXQZ-GOSISDBHSA-N 1 0 341.411 3.122 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](C)C(C)(C)C1 ZINC000354041770 457027988 /nfs/dbraw/zinc/02/79/88/457027988.db2.gz DAKJYAVOURFBIJ-CYBMUJFWSA-N 1 0 349.431 3.300 20 5 EGBDRO C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccccc1C(F)(F)F ZINC000342000790 457052362 /nfs/dbraw/zinc/05/23/62/457052362.db2.gz ZJJWARVXFCNRKN-JTQLQIEISA-N 1 0 328.294 3.161 20 5 EGBDRO C/C=C/C[C@@H](CO)[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000349820320 457065952 /nfs/dbraw/zinc/06/59/52/457065952.db2.gz FNNBVDVZWYVWLM-OOPCZODUSA-N 1 0 346.383 3.280 20 5 EGBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCCC[C@H]1CCc1ccccc1 ZINC000362729760 457066902 /nfs/dbraw/zinc/06/69/02/457066902.db2.gz DUKRPBOYHYVYOD-INIZCTEOSA-N 1 0 328.416 3.316 20 5 EGBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000356589854 457071055 /nfs/dbraw/zinc/07/10/55/457071055.db2.gz AUIBKMRTGGQWBI-GFCCVEGCSA-N 1 0 339.461 3.167 20 5 EGBDRO CCC[C@@H]([NH2+]C[C@H]1CN(CC(C)C)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000359517175 457090880 /nfs/dbraw/zinc/09/08/80/457090880.db2.gz MXVWVLOFACGGOP-RBUKOAKNSA-N 1 0 349.475 3.382 20 5 EGBDRO CC(C)C[C@H]([NH3+])c1noc(-c2ccc(NC3CC3)c([N+](=O)[O-])c2)n1 ZINC000339396010 457093100 /nfs/dbraw/zinc/09/31/00/457093100.db2.gz VPULETBAQIZCMA-LBPRGKRZSA-N 1 0 331.376 3.265 20 5 EGBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000356646218 457100573 /nfs/dbraw/zinc/10/05/73/457100573.db2.gz NUODQJDLTVFTTI-GFCCVEGCSA-N 1 0 333.388 3.191 20 5 EGBDRO CC[N@@H+]1CCC[C@@H]1CNc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000339770217 457259211 /nfs/dbraw/zinc/25/92/11/457259211.db2.gz ZATFVKMPLMSWHE-CQSZACIVSA-N 1 0 332.429 3.036 20 5 EGBDRO CCN(CC[NH+]1CCCCCC1)C(=O)c1cccc([N+](=O)[O-])c1C ZINC000331963577 457279831 /nfs/dbraw/zinc/27/98/31/457279831.db2.gz ITSOOIGETXVEMO-UHFFFAOYSA-N 1 0 333.432 3.241 20 5 EGBDRO O=C(CC[N@H+]1CC=C(C(F)(F)F)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000339824983 457294471 /nfs/dbraw/zinc/29/44/71/457294471.db2.gz JQGQMHLOKMWIGE-UHFFFAOYSA-N 1 0 343.305 3.118 20 5 EGBDRO C[NH+](C)CCN(CC1CCCCC1)C(=O)c1csc([N+](=O)[O-])c1 ZINC000347259118 457316389 /nfs/dbraw/zinc/31/63/89/457316389.db2.gz WUZLWOGEMQMHCH-UHFFFAOYSA-N 1 0 339.461 3.240 20 5 EGBDRO CC1(C)CCC[N@H+](CCNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000347415295 457414160 /nfs/dbraw/zinc/41/41/60/457414160.db2.gz HBXPBQJUHBFQBT-UHFFFAOYSA-N 1 0 339.823 3.100 20 5 EGBDRO CC1=CC[N@H+](CCNC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000360904368 457423024 /nfs/dbraw/zinc/42/30/24/457423024.db2.gz RBVUIQYONDKJBV-UHFFFAOYSA-N 1 0 331.416 3.100 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CC[C@H](c4ccco4)C3)o2)cc1 ZINC000374010234 457438906 /nfs/dbraw/zinc/43/89/06/457438906.db2.gz ALHRCBVEIHPWHQ-ZDUSSCGKSA-N 1 0 340.339 3.227 20 5 EGBDRO O=C(CC[N@@H+]1CCC=C(c2ccco2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000352563773 457469239 /nfs/dbraw/zinc/46/92/39/457469239.db2.gz TXHHCAJRVDBKEC-UHFFFAOYSA-N 1 0 341.367 3.306 20 5 EGBDRO COc1ccc(OCC[N@@H+]2CCC=C(c3ccco3)C2)c([N+](=O)[O-])c1 ZINC000352570137 457474042 /nfs/dbraw/zinc/47/40/42/457474042.db2.gz CSHCXDHSBHVJJY-UHFFFAOYSA-N 1 0 344.367 3.365 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)n1 ZINC000425279016 457480394 /nfs/dbraw/zinc/48/03/94/457480394.db2.gz UFOSREWJLNKWJW-FUHWJXTLSA-N 1 0 338.411 3.009 20 5 EGBDRO COc1ccc(-c2ccc(C[NH2+][C@@H](C)C[C@H](C)O)o2)c([N+](=O)[O-])c1 ZINC000361045003 457539393 /nfs/dbraw/zinc/53/93/93/457539393.db2.gz VRTKAIMZGOENPW-RYUDHWBXSA-N 1 0 334.372 3.112 20 5 EGBDRO C[C@H]1[C@H](C)[N@H+](C)CCN1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000361151383 457616266 /nfs/dbraw/zinc/61/62/66/457616266.db2.gz DPZIMDUWOQQFEB-KBPBESRZSA-N 1 0 329.400 3.379 20 5 EGBDRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000374426736 457624377 /nfs/dbraw/zinc/62/43/77/457624377.db2.gz FZNDJZYFXCXMRC-YHWZYXNKSA-N 1 0 345.424 3.294 20 5 EGBDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000361168089 457626433 /nfs/dbraw/zinc/62/64/33/457626433.db2.gz RRNQINIDSWKFJR-ZIAGYGMSSA-N 1 0 329.400 3.379 20 5 EGBDRO CC[C@H]1CN(CC[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CCO1 ZINC000433064726 457657118 /nfs/dbraw/zinc/65/71/18/457657118.db2.gz CEZRCZIESHBPPY-MAUKXSAKSA-N 1 0 347.459 3.018 20 5 EGBDRO CC[C@H]([NH2+][C@@H]1CC(=O)N(c2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000357790213 457690363 /nfs/dbraw/zinc/69/03/63/457690363.db2.gz BHUMPEMMZKSQRQ-QAPCUYQASA-N 1 0 339.395 3.441 20 5 EGBDRO Cc1ccccc1[C@H]([C@H](C)NC(=O)c1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000357847842 457711066 /nfs/dbraw/zinc/71/10/66/457711066.db2.gz IKVYUELJQIQKTG-KSSFIOAISA-N 1 0 341.411 3.324 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@H]1CCC(C)(C)C1 ZINC000361466861 457741067 /nfs/dbraw/zinc/74/10/67/457741067.db2.gz AVTNRGLOYZHNKK-ZDUSSCGKSA-N 1 0 335.404 3.052 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](C)C[C@H]1[C@@H](C)O ZINC000443341424 457751313 /nfs/dbraw/zinc/75/13/13/457751313.db2.gz IQISOAVRVGBUTF-CPUCHLNUSA-N 1 0 336.432 3.363 20 5 EGBDRO CC1(C)C[C@H]([NH2+][C@H]2CCc3c[nH]nc3C2)c2cc([N+](=O)[O-])ccc21 ZINC000433281617 457799042 /nfs/dbraw/zinc/79/90/42/457799042.db2.gz JXRPBDGVKFGOBW-SJCJKPOMSA-N 1 0 326.400 3.187 20 5 EGBDRO C[C@H]([NH2+][C@@H]1CCC(=O)NC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000358127472 457802305 /nfs/dbraw/zinc/80/23/05/457802305.db2.gz JVMYLISKVOYORR-NWDGAFQWSA-N 1 0 345.424 3.253 20 5 EGBDRO CC1(C)CCC[N@H+](CCNCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000444005083 457840314 /nfs/dbraw/zinc/84/03/14/457840314.db2.gz PDUABDJWVQIQTL-UHFFFAOYSA-N 1 0 325.840 3.460 20 5 EGBDRO C[C@@H](c1cccc(O)c1)[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411370285 457866686 /nfs/dbraw/zinc/86/66/86/457866686.db2.gz NXEHWGVBFREEEQ-ZDUSSCGKSA-N 1 0 343.383 3.322 20 5 EGBDRO Cc1cc(N(CCCc2ccccc2)CC[NH+](C)C)ncc1[N+](=O)[O-] ZINC000433789014 457887358 /nfs/dbraw/zinc/88/73/58/457887358.db2.gz KHXDUCYSYPLLCZ-UHFFFAOYSA-N 1 0 342.443 3.299 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H]1CCCCC1(C)C ZINC000411546123 457917713 /nfs/dbraw/zinc/91/77/13/457917713.db2.gz AFVZPQYQBPAGMC-INIZCTEOSA-N 1 0 349.431 3.490 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000375405826 457918685 /nfs/dbraw/zinc/91/86/85/457918685.db2.gz RPKULWAYEODQRQ-AWEZNQCLSA-N 1 0 328.372 3.153 20 5 EGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCOC2(CCOCC2)C1 ZINC000358311886 457925976 /nfs/dbraw/zinc/92/59/76/457925976.db2.gz ZXIFEPXBPWVOAF-NVXWUHKLSA-N 1 0 348.443 3.234 20 5 EGBDRO CC[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@H]1CCCC[C@H]1C ZINC000444671306 457932588 /nfs/dbraw/zinc/93/25/88/457932588.db2.gz GBFLCQIBBKVCOV-PBHICJAKSA-N 1 0 345.443 3.385 20 5 EGBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccc(-n2cncn2)cc1 ZINC000358356095 457954904 /nfs/dbraw/zinc/95/49/04/457954904.db2.gz ODDLRIJQLHJPTC-AWEZNQCLSA-N 1 0 337.383 3.069 20 5 EGBDRO COc1c(C(=O)Nc2ccc(C[NH+](C)C)c(C)c2)cccc1[N+](=O)[O-] ZINC000458260609 457991730 /nfs/dbraw/zinc/99/17/30/457991730.db2.gz HXQCNWQWDYQCCG-UHFFFAOYSA-N 1 0 343.383 3.226 20 5 EGBDRO COc1cc(C[NH2+][C@@H]2CCCC[C@@H]2n2cccn2)ccc1[N+](=O)[O-] ZINC000362022181 458009937 /nfs/dbraw/zinc/00/99/37/458009937.db2.gz FNGRWMVYXJNNHX-CABCVRRESA-N 1 0 330.388 3.073 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@H](Cc2cnn(C)c2)C1 ZINC000375817515 458079720 /nfs/dbraw/zinc/07/97/20/458079720.db2.gz UIEUDSGTVUSJKS-LSDHHAIUSA-N 1 0 328.416 3.262 20 5 EGBDRO CC(C)[C@H](CC(F)(F)F)[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000445884428 458109485 /nfs/dbraw/zinc/10/94/85/458109485.db2.gz HKRVNEGXTCYWNU-ZDUSSCGKSA-N 1 0 347.337 3.124 20 5 EGBDRO Cc1cccc(C(=O)N2CCC[C@H]([NH+]3[C@H](C)CC[C@H]3C)C2)c1[N+](=O)[O-] ZINC000358647886 458128398 /nfs/dbraw/zinc/12/83/98/458128398.db2.gz GRXRJFQGBFXLJW-OAGGEKHMSA-N 1 0 345.443 3.381 20 5 EGBDRO CN(c1ccccc1)c1ccc(CN2CC[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000435377774 458128837 /nfs/dbraw/zinc/12/88/37/458128837.db2.gz ATNGUDUHGCRMJU-MRXNPFEDSA-N 1 0 340.427 3.143 20 5 EGBDRO [NH3+]C1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000435394770 458136657 /nfs/dbraw/zinc/13/66/57/458136657.db2.gz LQOQRXJQEXEFEO-UHFFFAOYSA-N 1 0 335.791 3.431 20 5 EGBDRO CC[N@H+](CCc1cccs1)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000435419244 458141001 /nfs/dbraw/zinc/14/10/01/458141001.db2.gz UVTCQURFLCMCFS-UHFFFAOYSA-N 1 0 347.440 3.468 20 5 EGBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000429041750 458264067 /nfs/dbraw/zinc/26/40/67/458264067.db2.gz QDPXJYJCKYVGLG-WWGRRREGSA-N 1 0 337.851 3.410 20 5 EGBDRO CC[C@H](CNc1cc(C(F)(F)F)ncc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000436311386 458286955 /nfs/dbraw/zinc/28/69/55/458286955.db2.gz KVRMVQXFXYETHL-SNVBAGLBSA-N 1 0 332.326 3.295 20 5 EGBDRO CC(C)(C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)N1CCCCC1 ZINC000447512058 458302054 /nfs/dbraw/zinc/30/20/54/458302054.db2.gz OFZVBBHWCZELHU-HZPDHXFCSA-N 1 0 349.479 3.129 20 5 EGBDRO CCOc1cccc(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000447526430 458305133 /nfs/dbraw/zinc/30/51/33/458305133.db2.gz BKRHCINAUINPSS-IRXDYDNUSA-N 1 0 344.415 3.464 20 5 EGBDRO CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000429287598 458308909 /nfs/dbraw/zinc/30/89/09/458308909.db2.gz UHUJYLANYWKWFC-JKSUJKDBSA-N 1 0 349.431 3.107 20 5 EGBDRO CCOc1cc(C[N@@H+]2CC[C@@H](Oc3ccncc3)C2)ccc1[N+](=O)[O-] ZINC000376557477 458338025 /nfs/dbraw/zinc/33/80/25/458338025.db2.gz JYHDEACSTBKDIU-MRXNPFEDSA-N 1 0 343.383 3.042 20 5 EGBDRO CCO[C@@H]1C[C@@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1SC ZINC000459467368 458381166 /nfs/dbraw/zinc/38/11/66/458381166.db2.gz RVPZLHNUUAITLF-YUELXQCFSA-N 1 0 344.864 3.289 20 5 EGBDRO C[N@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C1CC(C)(C)C1 ZINC000459740815 458464971 /nfs/dbraw/zinc/46/49/71/458464971.db2.gz MEIOOPHVDAMAFP-UHFFFAOYSA-N 1 0 333.388 3.013 20 5 EGBDRO CC(C)c1ccc(C(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000423695957 458472264 /nfs/dbraw/zinc/47/22/64/458472264.db2.gz CDLQDDWHLLANEM-JKSUJKDBSA-N 1 0 345.443 3.180 20 5 EGBDRO CCC[C@@H]([NH2+]CC(=O)Nc1ccc(OCC)cc1[N+](=O)[O-])C1CCC1 ZINC000459807221 458483892 /nfs/dbraw/zinc/48/38/92/458483892.db2.gz QXMWVLIMRHGXRV-OAHLLOKOSA-N 1 0 349.431 3.490 20 5 EGBDRO CC(C)c1ccc(C(=O)N2C[C@H]([NH3+])Cc3ccccc32)cc1[N+](=O)[O-] ZINC000424082673 458554165 /nfs/dbraw/zinc/55/41/65/458554165.db2.gz WNTPJTBQSXKQTP-OAHLLOKOSA-N 1 0 339.395 3.248 20 5 EGBDRO Cc1cc(N(C)C[C@H]2CC[N@H+](C)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461774428 458572381 /nfs/dbraw/zinc/57/23/81/458572381.db2.gz KSTJOCNOSPEJCH-NSHDSACASA-N 1 0 331.338 3.310 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)[C@H](OC)c1ccccc1 ZINC000493894434 458595445 /nfs/dbraw/zinc/59/54/45/458595445.db2.gz OAJYGSBJZYLIFW-ACJLOTCBSA-N 1 0 330.384 3.469 20 5 EGBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@H+](CC)C(C)C ZINC000462998371 458669434 /nfs/dbraw/zinc/66/94/34/458669434.db2.gz VWFZGQXPSVLMCU-INIZCTEOSA-N 1 0 335.448 3.010 20 5 EGBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1c1ccnc2c1cccc2[N+](=O)[O-] ZINC000432158532 458692590 /nfs/dbraw/zinc/69/25/90/458692590.db2.gz WNLPDONBOZAWKF-UONOGXRCSA-N 1 0 326.400 3.206 20 5 EGBDRO CN(c1ccnc2c1cccc2[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000432165254 458693695 /nfs/dbraw/zinc/69/36/95/458693695.db2.gz UWXCLXMSAAXENG-PBWFPOADSA-N 1 0 326.400 3.204 20 5 EGBDRO CCc1ccc(C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000471806100 458733461 /nfs/dbraw/zinc/73/34/61/458733461.db2.gz VBYBTNDBFBFSLQ-HNNXBMFYSA-N 1 0 347.459 3.399 20 5 EGBDRO CCC[C@H]1[C@H](C)CCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000464739698 458766472 /nfs/dbraw/zinc/76/64/72/458766472.db2.gz PHVGQWSBOZNPEU-CJNGLKHVSA-N 1 0 349.431 3.443 20 5 EGBDRO Cc1ccc([C@@H]2CCC[C@H]2[N@H+](C)CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000472252154 458777949 /nfs/dbraw/zinc/77/79/49/458777949.db2.gz QPWJZXAQLBUKOE-ZWKOTPCHSA-N 1 0 328.416 3.368 20 5 EGBDRO CC(C)(C)OC(=O)NC[C@@]1(C)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000495590177 458891532 /nfs/dbraw/zinc/89/15/32/458891532.db2.gz RPTGHQVNNOXEKO-GOSISDBHSA-N 1 0 349.431 3.332 20 5 EGBDRO COc1ccc(OCC[N@H+](C)Cc2cccc(C)c2)c([N+](=O)[O-])c1 ZINC000441202903 458900597 /nfs/dbraw/zinc/90/05/97/458900597.db2.gz IAWQUQDUCHXUFO-UHFFFAOYSA-N 1 0 330.384 3.423 20 5 EGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@H](CO)c1ccc(F)cc1 ZINC000566475028 458943842 /nfs/dbraw/zinc/94/38/42/458943842.db2.gz ITVQNCTUVRBFAV-CXAGYDPISA-N 1 0 330.359 3.087 20 5 EGBDRO CC(C)C[C@H]1CC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000467173850 458955973 /nfs/dbraw/zinc/95/59/73/458955973.db2.gz SAKGNUDYTZANPC-PBHICJAKSA-N 1 0 331.416 3.068 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H]1CC[C@](O)(C(F)(F)F)C1 ZINC000589939161 459053754 /nfs/dbraw/zinc/05/37/54/459053754.db2.gz WAGOSIRTUMPCKR-CLDOCUBWSA-N 1 0 330.306 3.044 20 5 EGBDRO CC(C)(C)C(=O)N1CCC([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000594493861 459059335 /nfs/dbraw/zinc/05/93/35/459059335.db2.gz NOYXKEWHKTUSIY-MRXNPFEDSA-N 1 0 345.443 3.209 20 5 EGBDRO CC(C)[C@H](C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccnn1C ZINC000594499807 459063704 /nfs/dbraw/zinc/06/37/04/459063704.db2.gz KHJFAJOYUHNLTL-JKSUJKDBSA-N 1 0 328.416 3.345 20 5 EGBDRO Cc1cccc2nc(CC[NH2+][C@@H]3CCc4c3cccc4[N+](=O)[O-])cn21 ZINC000594507690 459068200 /nfs/dbraw/zinc/06/82/00/459068200.db2.gz PLVDDSZRILBAML-QGZVFWFLSA-N 1 0 336.395 3.371 20 5 EGBDRO C[C@H]([NH2+][C@@H](COC(N)=O)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000496159590 459092343 /nfs/dbraw/zinc/09/23/43/459092343.db2.gz PCYWMQUYKZEUMZ-XJKSGUPXSA-N 1 0 343.383 3.366 20 5 EGBDRO CC[C@H]([NH2+][C@@H]1CCCC[C@H]1N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000532549701 459108915 /nfs/dbraw/zinc/10/89/15/459108915.db2.gz MXLDYUOKBZHWHH-IPMKNSEASA-N 1 0 347.459 3.279 20 5 EGBDRO COc1ccc(-c2ccc(C[N@H+](C[C@H](C)O)C3CC3)o2)c([N+](=O)[O-])c1 ZINC000594616176 459117105 /nfs/dbraw/zinc/11/71/05/459117105.db2.gz TXQVTKSNKCKIGK-LBPRGKRZSA-N 1 0 346.383 3.209 20 5 EGBDRO Cc1cc(C)cc(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000594716342 459138963 /nfs/dbraw/zinc/13/89/63/459138963.db2.gz PJQRJNBFDDTPHP-UHFFFAOYSA-N 1 0 327.384 3.330 20 5 EGBDRO [NH3+]C1(CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCCC1 ZINC000594738767 459147527 /nfs/dbraw/zinc/14/75/27/459147527.db2.gz NCFOCJWMBSXHQS-UHFFFAOYSA-N 1 0 332.429 3.079 20 5 EGBDRO CC(C)(C)OC(=O)NCCCC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000496381201 459173156 /nfs/dbraw/zinc/17/31/56/459173156.db2.gz KVDDIKMTDJRAGF-HNNXBMFYSA-N 1 0 349.431 3.477 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCC[C@H]([S@@](C)=O)C1 ZINC000594964740 459196212 /nfs/dbraw/zinc/19/62/12/459196212.db2.gz FRZHXZVSTSBGCN-VMUPESQHSA-N 1 0 336.457 3.277 20 5 EGBDRO Cn1cc(C[NH2+]CCCOC(C)(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000594977489 459202717 /nfs/dbraw/zinc/20/27/17/459202717.db2.gz RLCZEEOPBLYVIB-UHFFFAOYSA-N 1 0 346.431 3.290 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H](CO)CC3CC3)o2)cc1 ZINC000594982395 459204470 /nfs/dbraw/zinc/20/44/70/459204470.db2.gz DSCVQPJBUVTBJM-AWEZNQCLSA-N 1 0 330.384 3.353 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCc1cn2ccccc2n1 ZINC000595007255 459212347 /nfs/dbraw/zinc/21/23/47/459212347.db2.gz LGSBKKIVXOCMFX-ZDUSSCGKSA-N 1 0 340.383 3.144 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC1CC[NH+](CC(C)C)CC1 ZINC000595009492 459214213 /nfs/dbraw/zinc/21/42/13/459214213.db2.gz ZNZSFXGWQWQHEL-CQSZACIVSA-N 1 0 335.448 3.374 20 5 EGBDRO CCCN(CC[NH+]1CCCC1)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000481046868 459230024 /nfs/dbraw/zinc/23/00/24/459230024.db2.gz ACJZQEUOPKBACQ-HNNXBMFYSA-N 1 0 348.447 3.173 20 5 EGBDRO CC(C)[N@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)CC1CC1 ZINC000533493639 459243746 /nfs/dbraw/zinc/24/37/46/459243746.db2.gz NCNNNMBIBZCUEB-UHFFFAOYSA-N 1 0 333.388 3.013 20 5 EGBDRO C[C@H](c1ccccc1)[C@@H](O)C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000595109947 459248140 /nfs/dbraw/zinc/24/81/40/459248140.db2.gz XKPOHCQUGQGMDF-XVSDVWIESA-N 1 0 326.396 3.336 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CC[C@@H](C4CCC4)C3)o2)cc1 ZINC000591062220 459302756 /nfs/dbraw/zinc/30/27/56/459302756.db2.gz YCNBGNIQSVLZTK-CQSZACIVSA-N 1 0 328.372 3.267 20 5 EGBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+](C2CC2)C2(CO)CCC2)c1 ZINC000595532821 459336754 /nfs/dbraw/zinc/33/67/54/459336754.db2.gz DADVCLOARFLZDD-UHFFFAOYSA-N 1 0 344.333 3.493 20 5 EGBDRO Cc1ccc([C@@H](C)NC(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000595543250 459339917 /nfs/dbraw/zinc/33/99/17/459339917.db2.gz IYUPNNDHUGGXAJ-HIFRSBDPSA-N 1 0 348.447 3.136 20 5 EGBDRO C[NH2+][C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)C1 ZINC000591680942 459422021 /nfs/dbraw/zinc/42/20/21/459422021.db2.gz ILKAZCVGUNORHG-LBPRGKRZSA-N 1 0 349.456 3.063 20 5 EGBDRO CCC1(CC)CC[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000485907591 459478819 /nfs/dbraw/zinc/47/88/19/459478819.db2.gz RPPWUFBVPWWVIT-OAHLLOKOSA-N 1 0 336.432 3.237 20 5 EGBDRO CC(C)C[C@H](C[NH3+])CC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000595930280 459489059 /nfs/dbraw/zinc/48/90/59/459489059.db2.gz ZWMSNFCTVDEYKG-INIZCTEOSA-N 1 0 335.448 3.343 20 5 EGBDRO CN(CC(C)(C)[NH3+])C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000595947656 459490220 /nfs/dbraw/zinc/49/02/20/459490220.db2.gz UCRPTAGVYSOTKN-UHFFFAOYSA-N 1 0 342.399 3.148 20 5 EGBDRO CSCCCCC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000569792272 459510601 /nfs/dbraw/zinc/51/06/01/459510601.db2.gz WLTOIJBDABGMRD-ZIAGYGMSSA-N 1 0 326.466 3.398 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000596094376 459518739 /nfs/dbraw/zinc/51/87/39/459518739.db2.gz LRRHAQZIPTZROK-GDBMZVCRSA-N 1 0 347.459 3.376 20 5 EGBDRO COc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2CCC(C)C)c([N+](=O)[O-])c1 ZINC000486792817 459520725 /nfs/dbraw/zinc/52/07/25/459520725.db2.gz HFZSSIDWLCMSLY-AWEZNQCLSA-N 1 0 349.431 3.443 20 5 EGBDRO COc1cc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCOC2)c([N+](=O)[O-])cc1F ZINC000592134921 459532783 /nfs/dbraw/zinc/53/27/83/459532783.db2.gz UBUGFMVRBNHUKA-IUODEOHRSA-N 1 0 338.379 3.134 20 5 EGBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC[C@@H]2[C@@H]2CCCOC2)cc1 ZINC000592134220 459532942 /nfs/dbraw/zinc/53/29/42/459532942.db2.gz LLQSGRVPTOCUQK-CRAIPNDOSA-N 1 0 334.416 3.255 20 5 EGBDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(c2c(Cl)cncc2[N+](=O)[O-])C1 ZINC000596138921 459533677 /nfs/dbraw/zinc/53/36/77/459533677.db2.gz HNKZWEWUMVQGGB-AWEZNQCLSA-N 1 0 346.818 3.354 20 5 EGBDRO COc1ccc(NC(=O)CC[N@H+](C)CCC(C)(C)C)c([N+](=O)[O-])c1 ZINC000592144611 459536762 /nfs/dbraw/zinc/53/67/62/459536762.db2.gz DBKTWMNOODWROX-UHFFFAOYSA-N 1 0 337.420 3.300 20 5 EGBDRO Cc1cc(NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c([N+](=O)[O-])s1 ZINC000596165373 459544390 /nfs/dbraw/zinc/54/43/90/459544390.db2.gz KCVMXRCIWWIJEF-LSDHHAIUSA-N 1 0 339.461 3.145 20 5 EGBDRO O=[N+]([O-])c1cncc(Cl)c1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000596170698 459546739 /nfs/dbraw/zinc/54/67/39/459546739.db2.gz VUBKRZDSXVYZTM-BXUZGUMPSA-N 1 0 336.823 3.096 20 5 EGBDRO C[N@H+](Cc1ccccc1)[C@@H](CNc1cc[nH]c(=O)c1[N+](=O)[O-])C1CC1 ZINC000596200683 459558580 /nfs/dbraw/zinc/55/85/80/459558580.db2.gz QZNCEBVYTGWFNY-INIZCTEOSA-N 1 0 342.399 3.018 20 5 EGBDRO C[N@@H+]1CC[C@]2(CCN(c3ccc(C(F)(F)F)c([N+](=O)[O-])c3)C2)C1 ZINC000596241550 459572641 /nfs/dbraw/zinc/57/26/41/459572641.db2.gz HGVXZJGHCRAASR-AWEZNQCLSA-N 1 0 329.322 3.146 20 5 EGBDRO CC[N@@H+]1CCCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)[C@H](C)C1 ZINC000596268014 459580210 /nfs/dbraw/zinc/58/02/10/459580210.db2.gz BNTCQAUCPDMVTE-LLVKDONJSA-N 1 0 329.347 3.117 20 5 EGBDRO CC[C@@H](C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])CC(F)(F)F ZINC000572870258 459589380 /nfs/dbraw/zinc/58/93/80/459589380.db2.gz IIOWBXLWLOUWJB-LLVKDONJSA-N 1 0 347.337 3.492 20 5 EGBDRO CN(Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC000592428492 459598508 /nfs/dbraw/zinc/59/85/08/459598508.db2.gz RQQXVQAWZWQXCL-OAHLLOKOSA-N 1 0 345.374 3.320 20 5 EGBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000592433161 459599420 /nfs/dbraw/zinc/59/94/20/459599420.db2.gz AVHXYUDHYDWEEM-ZFWWWQNUSA-N 1 0 349.431 3.455 20 5 EGBDRO CC1([NH3+])CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000592431586 459599676 /nfs/dbraw/zinc/59/96/76/459599676.db2.gz LMZWJWNUESHINT-UHFFFAOYSA-N 1 0 332.429 3.032 20 5 EGBDRO Cc1ccc(F)c(CC[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000572953217 459600194 /nfs/dbraw/zinc/60/01/94/459600194.db2.gz DKVPHIDOUMXVNW-UHFFFAOYSA-N 1 0 345.374 3.203 20 5 EGBDRO Cc1cc(N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000499641267 459643587 /nfs/dbraw/zinc/64/35/87/459643587.db2.gz AZJURUPJHAIUBP-CVEARBPZSA-N 1 0 340.427 3.397 20 5 EGBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000596470140 459648092 /nfs/dbraw/zinc/64/80/92/459648092.db2.gz IFXYYTLCNLGLNY-AWEZNQCLSA-N 1 0 332.404 3.123 20 5 EGBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000596470776 459648194 /nfs/dbraw/zinc/64/81/94/459648194.db2.gz PRGCCVGETHRPOP-CQSZACIVSA-N 1 0 332.404 3.123 20 5 EGBDRO O=C(CC[NH2+][C@H]1CCCc2occc21)Nc1ccccc1[N+](=O)[O-] ZINC000562986826 459687523 /nfs/dbraw/zinc/68/75/23/459687523.db2.gz SBJPHTOONBPYCA-ZDUSSCGKSA-N 1 0 329.356 3.184 20 5 EGBDRO CC1(C)CN(CCOc2cccc([N+](=O)[O-])c2)[C@@H]1c1cccnc1 ZINC000596595390 459689904 /nfs/dbraw/zinc/68/99/04/459689904.db2.gz YYTJGRZCIGUAKX-QGZVFWFLSA-N 1 0 327.384 3.452 20 5 EGBDRO CCCN(C(=O)[C@H](CC)Cc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@H+](C)C1 ZINC000592829554 459700461 /nfs/dbraw/zinc/70/04/61/459700461.db2.gz QNPIIWWLSMLFLN-AEFFLSMTSA-N 1 0 347.459 3.106 20 5 EGBDRO Cc1c(NC(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000596636824 459708626 /nfs/dbraw/zinc/70/86/26/459708626.db2.gz VWBKYSSCVUIQEU-ZDUSSCGKSA-N 1 0 334.420 3.145 20 5 EGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]Cc1ccccc1Cn1cncn1 ZINC000573695458 459720100 /nfs/dbraw/zinc/72/01/00/459720100.db2.gz ASMAJTWZNCYPQK-GOSISDBHSA-N 1 0 349.394 3.012 20 5 EGBDRO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000544190083 459737347 /nfs/dbraw/zinc/73/73/47/459737347.db2.gz FPWXUBIPYAFBJB-QWHCGFSZSA-N 1 0 349.431 3.298 20 5 EGBDRO O=[N+]([O-])c1cc(C[NH+]2CCC3(CC3(F)F)CC2)c2c(c1)COCO2 ZINC000593076522 459765113 /nfs/dbraw/zinc/76/51/13/459765113.db2.gz KLQJJFUWPXDTIW-UHFFFAOYSA-N 1 0 340.326 3.083 20 5 EGBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccc2[nH]c(=O)oc2c1 ZINC000586790301 459873945 /nfs/dbraw/zinc/87/39/45/459873945.db2.gz OKXYVUGBOYUJMG-LLVKDONJSA-N 1 0 327.340 3.335 20 5 EGBDRO CC(C)[NH2+][C@H]1CCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000609135845 459908566 /nfs/dbraw/zinc/90/85/66/459908566.db2.gz YCCLQKUHNKOZRQ-ZDUSSCGKSA-N 1 0 347.440 3.412 20 5 EGBDRO COc1cc(OC)c(C[NH2+]CCc2ccccc2[N+](=O)[O-])cc1F ZINC000593604337 459930700 /nfs/dbraw/zinc/93/07/00/459930700.db2.gz QXEUDLADFCXGLS-UHFFFAOYSA-N 1 0 334.347 3.083 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000598562998 459938978 /nfs/dbraw/zinc/93/89/78/459938978.db2.gz YRGOSWKBICVORU-MRXNPFEDSA-N 1 0 345.443 3.063 20 5 EGBDRO COc1cc(C[NH2+][C@H]2CCc3ccc(C)cc32)c([N+](=O)[O-])cc1O ZINC000593677159 459947537 /nfs/dbraw/zinc/94/75/37/459947537.db2.gz SJHRGISIXWIOQM-HNNXBMFYSA-N 1 0 328.368 3.395 20 5 EGBDRO COc1cc(C[NH2+][C@@H]2CCc3ccc(C)cc32)c([N+](=O)[O-])cc1O ZINC000593677160 459947975 /nfs/dbraw/zinc/94/79/75/459947975.db2.gz SJHRGISIXWIOQM-OAHLLOKOSA-N 1 0 328.368 3.395 20 5 EGBDRO COC(=O)[C@@H]1C[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C[C@H]1C1CC1 ZINC000593697542 459955898 /nfs/dbraw/zinc/95/58/98/459955898.db2.gz SOJFRMIDUCXRDX-ROCPSLNWSA-N 1 0 344.411 3.129 20 5 EGBDRO CN(Cc1cc(Br)c([N+](=O)[O-])s1)Cc1cccn1C ZINC000602479140 459957807 /nfs/dbraw/zinc/95/78/07/459957807.db2.gz XESJZUZRGJCKQK-UHFFFAOYSA-N 1 0 344.234 3.389 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H]2CCN(c3ccccc3)C2)cc1 ZINC000602511345 459976013 /nfs/dbraw/zinc/97/60/13/459976013.db2.gz QGSILPKFKANQSE-KRWDZBQOSA-N 1 0 325.412 3.253 20 5 EGBDRO Cc1nccn1CCC[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602519109 459979755 /nfs/dbraw/zinc/97/97/55/459979755.db2.gz VUWJCJPZNZNUMC-UHFFFAOYSA-N 1 0 342.321 3.298 20 5 EGBDRO Cc1ccc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c(C)c1 ZINC000602523091 459982162 /nfs/dbraw/zinc/98/21/62/459982162.db2.gz ZDPDZJXELKLBBE-UHFFFAOYSA-N 1 0 340.427 3.365 20 5 EGBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]C[C@H]3[C@@H]4c5ccccc5C[C@H]34)nc2c1 ZINC000602565518 459999278 /nfs/dbraw/zinc/99/92/78/459999278.db2.gz CBDCTTPKZSDMRZ-SPYBWZPUSA-N 1 0 335.363 3.412 20 5 EGBDRO [NH3+][C@@]12CCC[C@H]1CN(Cc1csc(-c3cccc([N+](=O)[O-])c3)n1)C2 ZINC000598717497 460005404 /nfs/dbraw/zinc/00/54/04/460005404.db2.gz GIAWJKUNASFHCD-SUMWQHHRSA-N 1 0 344.440 3.032 20 5 EGBDRO CC(C)(C)[C@H]1C[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CCO1 ZINC000602579845 460006844 /nfs/dbraw/zinc/00/68/44/460006844.db2.gz KZEJIZSCYHDBKZ-IAQYHMDHSA-N 1 0 333.388 3.419 20 5 EGBDRO CC(C)C[C@@H]1C[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CCO1 ZINC000602585424 460010604 /nfs/dbraw/zinc/01/06/04/460010604.db2.gz QSUWTCLACIGJEB-GXTWGEPZSA-N 1 0 333.388 3.419 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000618445611 460013244 /nfs/dbraw/zinc/01/32/44/460013244.db2.gz LKBNLAOJDRIHCN-UHFFFAOYSA-N 1 0 333.432 3.096 20 5 EGBDRO C[C@H](O)[C@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602590826 460014660 /nfs/dbraw/zinc/01/46/60/460014660.db2.gz JCVNOQYWURFZRH-QWRGUYRKSA-N 1 0 332.322 3.206 20 5 EGBDRO C[C@@H]1C[C@@H]([NH3+])CCN1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000593921410 460016890 /nfs/dbraw/zinc/01/68/90/460016890.db2.gz XOVLDACFAHIQBW-YPMHNXCESA-N 1 0 332.429 3.030 20 5 EGBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000609877659 460032722 /nfs/dbraw/zinc/03/27/22/460032722.db2.gz OETMHFUGTIEEKI-OAHLLOKOSA-N 1 0 347.459 3.497 20 5 EGBDRO CC[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[C@@H]1CC1(C)C ZINC000602693642 460068390 /nfs/dbraw/zinc/06/83/90/460068390.db2.gz DLAMSBZIVOHBQD-HOTGVXAUSA-N 1 0 332.448 3.373 20 5 EGBDRO COC1CCC([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602691683 460069486 /nfs/dbraw/zinc/06/94/86/460069486.db2.gz PZCPUVOTZWGBMR-UHFFFAOYSA-N 1 0 349.250 3.466 20 5 EGBDRO CC(C)OC(=O)C[C@@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)C(C)C ZINC000594043914 460070736 /nfs/dbraw/zinc/07/07/36/460070736.db2.gz MMYLOQLYGAVMFI-OAHLLOKOSA-N 1 0 344.358 3.329 20 5 EGBDRO CCN1C[C@@H](C[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)Oc2ccccc21 ZINC000610183151 460077149 /nfs/dbraw/zinc/07/71/49/460077149.db2.gz RPAQJRGRMBQSFT-QGZVFWFLSA-N 1 0 341.411 3.314 20 5 EGBDRO Cc1c(NC(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cccc1[N+](=O)[O-] ZINC000594056439 460077778 /nfs/dbraw/zinc/07/77/78/460077778.db2.gz CLPYKNLHVTVQJP-HOCLYGCPSA-N 1 0 332.404 3.042 20 5 EGBDRO CO[C@H](C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CCCCC1 ZINC000602722058 460086271 /nfs/dbraw/zinc/08/62/71/460086271.db2.gz LMARQPXNNYUDMG-MRXNPFEDSA-N 1 0 333.388 3.421 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594075435 460090095 /nfs/dbraw/zinc/09/00/95/460090095.db2.gz XAAHTRKDOKCIAL-ZBFHGGJFSA-N 1 0 346.431 3.350 20 5 EGBDRO CC[NH+](CC)Cc1ccc(C(=O)NCCc2ccccc2[N+](=O)[O-])o1 ZINC000610237390 460092377 /nfs/dbraw/zinc/09/23/77/460092377.db2.gz BJPDOHNJXAPLHM-UHFFFAOYSA-N 1 0 345.399 3.002 20 5 EGBDRO Cc1ncc([C@@H](C)[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)s1 ZINC000602736967 460097877 /nfs/dbraw/zinc/09/78/77/460097877.db2.gz SPIOSNCLTZSZBS-LLVKDONJSA-N 1 0 347.444 3.074 20 5 EGBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+][C@@H]1CC[C@@H]3CCC[C@@H]3C1)OCCO2 ZINC000610271366 460100940 /nfs/dbraw/zinc/10/09/40/460100940.db2.gz KWWBGZUZHXVJPJ-GZBFAFLISA-N 1 0 332.400 3.424 20 5 EGBDRO Cc1c(NC(=O)N2CCCC[C@@H]2[C@H](C)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000602764489 460111623 /nfs/dbraw/zinc/11/16/23/460111623.db2.gz XLERILSXKDCEAY-CZUORRHYSA-N 1 0 348.447 3.487 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H]1CCc1ccccc1 ZINC000602766028 460113772 /nfs/dbraw/zinc/11/37/72/460113772.db2.gz NZBKJQJMNDHVIR-QGZVFWFLSA-N 1 0 328.416 3.197 20 5 EGBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000597925531 460114020 /nfs/dbraw/zinc/11/40/20/460114020.db2.gz WQSHUZDXJUSUAI-CVEARBPZSA-N 1 0 347.459 3.153 20 5 EGBDRO COc1ccc(C[NH2+]CC(C)(C)c2ccc(C)cn2)cc1[N+](=O)[O-] ZINC000598990923 460119114 /nfs/dbraw/zinc/11/91/14/460119114.db2.gz KZGHEUYJMREJOZ-UHFFFAOYSA-N 1 0 329.400 3.374 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H]1Cc1ccccc1C ZINC000602782968 460121812 /nfs/dbraw/zinc/12/18/12/460121812.db2.gz CUSNDGNBCRMDBN-QGZVFWFLSA-N 1 0 328.416 3.115 20 5 EGBDRO CC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])Cc1c[nH]c2ccccc12 ZINC000602813964 460141871 /nfs/dbraw/zinc/14/18/71/460141871.db2.gz APKJHLKHIKBQLR-UHFFFAOYSA-N 1 0 327.388 3.103 20 5 EGBDRO CSc1cccc(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000594197466 460145739 /nfs/dbraw/zinc/14/57/39/460145739.db2.gz OJZHCFFCHMSDMX-KBPBESRZSA-N 1 0 349.456 3.063 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2Cc3ccccc3NC2=O)cc1[N+](=O)[O-] ZINC000599073463 460152109 /nfs/dbraw/zinc/15/21/09/460152109.db2.gz DRCOOCQGLOPWAK-MLGOLLRUSA-N 1 0 325.368 3.117 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1[C@H](C)C[C@@H](c2ccccc2)[C@@H]1C ZINC000602834861 460152879 /nfs/dbraw/zinc/15/28/79/460152879.db2.gz FTWSUWIDLNCIKJ-JKIFEVAISA-N 1 0 328.416 3.366 20 5 EGBDRO O=C(CC[NH2+]CCc1ccc([N+](=O)[O-])cc1)Nc1cccc(Cl)c1 ZINC000576575240 460172222 /nfs/dbraw/zinc/17/22/22/460172222.db2.gz NVPYWDVKBFYDIB-UHFFFAOYSA-N 1 0 347.802 3.409 20 5 EGBDRO C[C@H](C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000598219433 460210022 /nfs/dbraw/zinc/21/00/22/460210022.db2.gz LUGORXOCVLKJPH-HOCLYGCPSA-N 1 0 345.443 3.222 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000598220975 460211186 /nfs/dbraw/zinc/21/11/86/460211186.db2.gz SMXFIGUMJYGORH-CQSZACIVSA-N 1 0 331.416 3.040 20 5 EGBDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000610786839 460236669 /nfs/dbraw/zinc/23/66/69/460236669.db2.gz WYWMCNHGMGMSIN-OAHLLOKOSA-N 1 0 332.448 3.471 20 5 EGBDRO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599586900 460280434 /nfs/dbraw/zinc/28/04/34/460280434.db2.gz KDTCZLBRMDVWEX-BBRMVZONSA-N 1 0 334.416 3.395 20 5 EGBDRO C[C@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)CC[C@H]1C(=O)OC(C)(C)C ZINC000599587020 460281080 /nfs/dbraw/zinc/28/10/80/460281080.db2.gz KIKHNXPOJNVMHQ-XJKSGUPXSA-N 1 0 334.416 3.395 20 5 EGBDRO COc1ccc(C[C@@](C)([NH3+])CNc2ccc(C)cc2[N+](=O)[O-])cc1 ZINC000611100893 460289817 /nfs/dbraw/zinc/28/98/17/460289817.db2.gz LLOQRUGXMMKAJG-GOSISDBHSA-N 1 0 329.400 3.284 20 5 EGBDRO CC(C)c1ccc(C(=O)N[C@@H](C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000615243285 460297793 /nfs/dbraw/zinc/29/77/93/460297793.db2.gz OBXBUGNKKAVEGC-ZDUSSCGKSA-N 1 0 333.432 3.178 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)CCCC[NH+]1CCCCC1 ZINC000603407154 460299636 /nfs/dbraw/zinc/29/96/36/460299636.db2.gz OONSYFZYBGDPDU-UHFFFAOYSA-N 1 0 333.432 3.241 20 5 EGBDRO CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)C[C@H]1CCOC1 ZINC000611256584 460319253 /nfs/dbraw/zinc/31/92/53/460319253.db2.gz ICZIELAUEVJDSK-LLVKDONJSA-N 1 0 330.331 3.055 20 5 EGBDRO O=[N+]([O-])c1cccc(CNc2ccc(C[NH+]3CCC(O)CC3)cc2)c1 ZINC000611287951 460330645 /nfs/dbraw/zinc/33/06/45/460330645.db2.gz WZKPZPSAOYTJEQ-UHFFFAOYSA-N 1 0 341.411 3.164 20 5 EGBDRO C[C@H](CNc1ccc2cc([N+](=O)[O-])ccc2n1)[N@@H+]1CCC[C@@H](C)C1 ZINC000603858020 460349611 /nfs/dbraw/zinc/34/96/11/460349611.db2.gz ZFQKBAWLMZMNDU-ZIAGYGMSSA-N 1 0 328.416 3.097 20 5 EGBDRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccsc2)c([N+](=O)[O-])c1 ZINC000619783627 460442474 /nfs/dbraw/zinc/44/24/74/460442474.db2.gz VUZBHCAUSLWWSI-GHMZBOCLSA-N 1 0 349.412 3.343 20 5 EGBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000600316256 460472211 /nfs/dbraw/zinc/47/22/11/460472211.db2.gz YMNTXZFWYZYGTF-IRXDYDNUSA-N 1 0 347.459 3.012 20 5 EGBDRO Cc1cc(N2CCC[C@H](n3ccnc3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000611925886 460490838 /nfs/dbraw/zinc/49/08/38/460490838.db2.gz RUYWJLNOXSLXLC-HNNXBMFYSA-N 1 0 337.383 3.489 20 5 EGBDRO Cc1c(Cc2nc(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)no2)cccc1[N+](=O)[O-] ZINC000612955311 460782547 /nfs/dbraw/zinc/78/25/47/460782547.db2.gz XSUPANCPVXAPAO-GOOCMWNKSA-N 1 0 342.399 3.217 20 5 EGBDRO CCC1(CC)[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H]1OC ZINC000617547739 460900468 /nfs/dbraw/zinc/90/04/68/460900468.db2.gz VDXQEIGUQFATLW-HUUCEWRRSA-N 1 0 333.388 3.419 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000613302082 460900819 /nfs/dbraw/zinc/90/08/19/460900819.db2.gz XUQMDDWCOWQQQB-ZDUSSCGKSA-N 1 0 334.420 3.063 20 5 EGBDRO C[C@H](CNc1ncnc2cccc([N+](=O)[O-])c21)[N@@H+]1CCC[C@@H](C)C1 ZINC000612438466 469465767 /nfs/dbraw/zinc/46/57/67/469465767.db2.gz YNEPSWSBNSJAAZ-CHWSQXEVSA-N 1 0 329.404 3.070 20 5 EGBDRO C[C@H](NC(=O)c1csc([N+](=O)[O-])c1)[C@H](c1ccccc1)[NH+](C)C ZINC000187237213 533779924 /nfs/dbraw/zinc/77/99/24/533779924.db2.gz LZLADYVSFGIDPK-XHDPSFHLSA-N 1 0 333.413 3.078 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)COc2ccccc2F)cc1[N+](=O)[O-] ZINC000181807133 534226647 /nfs/dbraw/zinc/22/66/47/534226647.db2.gz WWDRYSOZLGAQKV-ZFWWWQNUSA-N 1 0 348.374 3.133 20 5 EGBDRO CCC(CC)[C@H](C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)N1CCOCC1 ZINC000480524273 517540108 /nfs/dbraw/zinc/54/01/08/517540108.db2.gz JRAAEPXHBFPJHW-BEFAXECRSA-N 1 0 349.475 3.382 20 5 EGBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCCc3c2cnn3C)cc1[N+](=O)[O-] ZINC000271115461 517731715 /nfs/dbraw/zinc/73/17/15/517731715.db2.gz IGISUGUXSVCJSG-SWLSCSKDSA-N 1 0 344.415 3.455 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000153619360 534322729 /nfs/dbraw/zinc/32/27/29/534322729.db2.gz WFXSTYAWEUTCDF-ZBFHGGJFSA-N 1 0 346.431 3.160 20 5 EGBDRO C[C@H]1CC(C)(C)CC[C@H]1[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000481097829 518183959 /nfs/dbraw/zinc/18/39/59/518183959.db2.gz BITXBZPVOMUNPS-XJKSGUPXSA-N 1 0 333.432 3.362 20 5 EGBDRO Cn1cc(C[NH2+]CC[C@@H]2CCCCO2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000181247309 534733747 /nfs/dbraw/zinc/73/37/47/534733747.db2.gz SITUXABWXWZFLG-KRWDZBQOSA-N 1 0 344.415 3.044 20 5 EGBDRO CC(C)C(=O)N1CCC([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000192650864 527466519 /nfs/dbraw/zinc/46/65/19/527466519.db2.gz UGJIWHNPMNRRGR-GOSISDBHSA-N 1 0 345.443 3.209 20 5 EGBDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000163320474 527981404 /nfs/dbraw/zinc/98/14/04/527981404.db2.gz UKOMOWFTVXGFPS-QGZVFWFLSA-N 1 0 347.459 3.012 20 5 EGBDRO CCCC[N@H+](C)CC1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000173712967 528336673 /nfs/dbraw/zinc/33/66/73/528336673.db2.gz WAKXYPFMOXJNEI-UHFFFAOYSA-N 1 0 347.459 3.108 20 5 EGBDRO CCOc1cccc([C@H](C)[NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000178206309 528689509 /nfs/dbraw/zinc/68/95/09/528689509.db2.gz LCAZPOHQJIRUFZ-ZDUSSCGKSA-N 1 0 343.383 3.283 20 5 EGBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccc([S@@](C)=O)cc1 ZINC000268900390 547339702 /nfs/dbraw/zinc/33/97/02/547339702.db2.gz CNZMIYLBQHPYQA-ZAMGYDSWSA-N 1 0 332.425 3.226 20 5 EGBDRO Cc1c(C[NH2+][C@@H](C)c2ccc([S@@](C)=O)cc2)cccc1[N+](=O)[O-] ZINC000271768183 547345108 /nfs/dbraw/zinc/34/51/08/547345108.db2.gz DSMOARKMQZGWFG-ZAMGYDSWSA-N 1 0 332.425 3.491 20 5 EGBDRO CN1CC[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000729682585 574878522 /nfs/dbraw/zinc/87/85/22/574878522.db2.gz WBVXQPUHPVXXLX-LLVKDONJSA-N 1 0 335.791 3.302 20 5 EGBDRO C[C@@H]1CCCC[N@@H+]1CC(N)=NOCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000734834467 575563130 /nfs/dbraw/zinc/56/31/30/575563130.db2.gz QWSIIUKVMDIGLU-LLVKDONJSA-N 1 0 340.811 3.121 20 5 EGBDRO CC[C@@H](C(=O)OCc1cc([N+](=O)[O-])ccc1Cl)[NH+](CC)CC ZINC000736022390 575752360 /nfs/dbraw/zinc/75/23/60/575752360.db2.gz XIUMNZWAONHQEW-AWEZNQCLSA-N 1 0 328.796 3.412 20 5 EGBDRO Cc1cc(NC(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000352881683 576111811 /nfs/dbraw/zinc/11/18/11/576111811.db2.gz DSTCYROAZWVZEC-OCCSQVGLSA-N 1 0 334.420 3.145 20 5 EGBDRO CN(C[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C ZINC000743865911 576817577 /nfs/dbraw/zinc/81/75/77/576817577.db2.gz GSWOLSFSICJBGT-MRXNPFEDSA-N 1 0 349.431 3.426 20 5 EGBDRO O=C(C[N@@H+]1CCC2(CCCC2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000744422033 576827811 /nfs/dbraw/zinc/82/78/11/576827811.db2.gz KPGHENJPJJNXLA-UHFFFAOYSA-N 1 0 337.807 3.453 20 5 EGBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1)c1ccccc1[N+](=O)[O-] ZINC000820410016 599366808 /nfs/dbraw/zinc/36/68/08/599366808.db2.gz BYXDDLZQYLKAGR-NWDGAFQWSA-N 1 0 338.371 3.187 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]Cc1cccc2c1OCCO2 ZINC000873049122 1297246989 /nfs/dbraw/zinc/24/69/89/1297246989.db2.gz ANKXVCXEMKKOFG-UHFFFAOYSA-N 1 0 328.368 3.273 20 5 EGBDRO [NH3+][C@@H]1C[C@@H](Nc2ccc(Br)cc2[N+](=O)[O-])C12CCC2 ZINC000404586632 1297757226 /nfs/dbraw/zinc/75/72/26/1297757226.db2.gz URYUWVOPAQWZEA-VXGBXAGGSA-N 1 0 326.194 3.039 20 5 EGBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000055034893 1291773080 /nfs/dbraw/zinc/77/30/80/1291773080.db2.gz RECPJHPYNUHXJF-CQSZACIVSA-N 1 0 331.372 3.115 20 5 EGBDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000063822784 1292025410 /nfs/dbraw/zinc/02/54/10/1292025410.db2.gz OHGZMBZTFDWVFP-YCABEKBOSA-N 1 0 345.443 3.236 20 5 EGBDRO C[C@@H](CCNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000828349311 1292457368 /nfs/dbraw/zinc/45/73/68/1292457368.db2.gz SMFLSPVYSWFNHD-LBPRGKRZSA-N 1 0 339.823 3.243 20 5 EGBDRO CC(C)[N@@H+]1CC[C@@H](CNc2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000087834267 1292746530 /nfs/dbraw/zinc/74/65/30/1292746530.db2.gz NRSOBHMDPYJSRL-NSHDSACASA-N 1 0 342.237 3.500 20 5 EGBDRO CC(C)O[C@@H]1CCN(Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000843412976 1321513316 /nfs/dbraw/zinc/51/33/16/1321513316.db2.gz CNDVVSVXNFPKCE-LLVKDONJSA-N 1 0 343.221 3.357 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2c(Cl)nc3ccccn32)cc1 ZINC000105448260 1293036819 /nfs/dbraw/zinc/03/68/19/1293036819.db2.gz BNDKMFAYJKLJRG-UHFFFAOYSA-N 1 0 330.775 3.228 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000105448253 1293037068 /nfs/dbraw/zinc/03/70/68/1293037068.db2.gz NIKKDUARBGQGEF-UHFFFAOYSA-N 1 0 345.355 3.234 20 5 EGBDRO C[C@H]([NH2+][C@H]1CCO[C@@H](c2ccncc2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834891717 1293165364 /nfs/dbraw/zinc/16/53/64/1293165364.db2.gz JMJCQRYYVRPJKB-XLWVJDPXSA-N 1 0 342.399 3.143 20 5 EGBDRO COC(=O)[C@H](C)C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C1CC1 ZINC000153739462 1294026195 /nfs/dbraw/zinc/02/61/95/1294026195.db2.gz VFKXOQYADXGGCU-SNVBAGLBSA-N 1 0 326.780 3.022 20 5 EGBDRO CC(C)[C@@H]([NH3+])c1noc(-c2cc(Br)cc([N+](=O)[O-])c2)n1 ZINC000166148073 1294361095 /nfs/dbraw/zinc/36/10/95/1294361095.db2.gz COUCWGPLXQFORN-SNVBAGLBSA-N 1 0 341.165 3.063 20 5 EGBDRO CC1CCC([N@H+](C)Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)CC1 ZINC000172895673 1294448503 /nfs/dbraw/zinc/44/85/03/1294448503.db2.gz PQQDWGBJINWLOL-UHFFFAOYSA-N 1 0 329.404 3.321 20 5 EGBDRO C[C@H]([N@H+](C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1(C)CC1 ZINC000177218620 1294660044 /nfs/dbraw/zinc/66/00/44/1294660044.db2.gz STUMKBQZJYJPCU-JTQLQIEISA-N 1 0 325.796 3.307 20 5 EGBDRO CO[C@@H]1C[C@@H]([NH2+]Cc2ccc(Br)c([N+](=O)[O-])c2)C1(C)C ZINC000227827294 1296149413 /nfs/dbraw/zinc/14/94/13/1296149413.db2.gz RQWMVXJJYHBJCP-CHWSQXEVSA-N 1 0 343.221 3.260 20 5 EGBDRO CO[C@@H]1C[C@H]([NH2+]Cc2ccc(Br)c([N+](=O)[O-])c2)C1(C)C ZINC000227827307 1296149528 /nfs/dbraw/zinc/14/95/28/1296149528.db2.gz RQWMVXJJYHBJCP-QWHCGFSZSA-N 1 0 343.221 3.260 20 5 EGBDRO [NH3+][C@H]1C[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)C1 ZINC000870962866 1296156972 /nfs/dbraw/zinc/15/69/72/1296156972.db2.gz BPZQAFASBGBXKQ-TXEJJXNPSA-N 1 0 349.456 3.097 20 5 EGBDRO Cc1nn(C[N@@H+]2CC[C@H](c3ccccc3)[C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000247224698 1296386164 /nfs/dbraw/zinc/38/61/64/1296386164.db2.gz WMRMQJMEESJRHU-GUYCJALGSA-N 1 0 328.416 3.491 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000872036029 1296686181 /nfs/dbraw/zinc/68/61/81/1296686181.db2.gz PEWRLZFUXGLERT-TZMCWYRMSA-N 1 0 335.473 3.452 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCc2n[nH]cc2C1 ZINC000872047369 1296696023 /nfs/dbraw/zinc/69/60/23/1296696023.db2.gz AQNMYRNYEVSGLE-ZYHUDNBSSA-N 1 0 332.429 3.248 20 5 EGBDRO O=[N+]([O-])c1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1F ZINC000303314514 1296827147 /nfs/dbraw/zinc/82/71/47/1296827147.db2.gz NFUWLLLMHJORDI-UHFFFAOYSA-N 1 0 329.375 3.052 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H](CCO)c1ccccc1 ZINC000873058868 1297251444 /nfs/dbraw/zinc/25/14/44/1297251444.db2.gz KKNSXOMWTIVBMM-QGZVFWFLSA-N 1 0 328.412 3.467 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCc1nn(C)c2ccccc12 ZINC000873108332 1297275222 /nfs/dbraw/zinc/27/52/22/1297275222.db2.gz HKIVYYMEVSPSAE-UHFFFAOYSA-N 1 0 338.411 3.431 20 5 EGBDRO COCC[N@H+](CCc1ccccc1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000746149931 1298542958 /nfs/dbraw/zinc/54/29/58/1298542958.db2.gz JDAMGQKDRWBCGT-UHFFFAOYSA-N 1 0 332.375 3.425 20 5 EGBDRO CC(C)CCSc1ccc(C(=O)N(C)C[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000877096241 1299156841 /nfs/dbraw/zinc/15/68/41/1299156841.db2.gz AIRAPPNOPDZWRF-GFCCVEGCSA-N 1 0 339.461 3.152 20 5 EGBDRO CCCOc1ccc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000749679105 1299254438 /nfs/dbraw/zinc/25/44/38/1299254438.db2.gz UYVAHKLKWCCPOB-GOSISDBHSA-N 1 0 330.384 3.207 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2CCCOc3ccc(F)cc32)c1 ZINC000749684340 1299256044 /nfs/dbraw/zinc/25/60/44/1299256044.db2.gz BLTUXULFOBIFLM-IAGOWNOFSA-N 1 0 346.358 3.271 20 5 EGBDRO C[C@H](CNC(=O)c1cccc(Cl)c1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1C ZINC000749912937 1299299031 /nfs/dbraw/zinc/29/90/31/1299299031.db2.gz XIOJEKSWARWILJ-NWDGAFQWSA-N 1 0 339.823 3.241 20 5 EGBDRO C[C@@H](CNC(=O)c1cccc(Cl)c1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1C ZINC000749912939 1299299607 /nfs/dbraw/zinc/29/96/07/1299299607.db2.gz XIOJEKSWARWILJ-RYUDHWBXSA-N 1 0 339.823 3.241 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C2(c3ccc(F)cc3)CCC2)c1 ZINC000750094304 1299337938 /nfs/dbraw/zinc/33/79/38/1299337938.db2.gz CILJWNKFADEGGC-KRWDZBQOSA-N 1 0 330.359 3.436 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1CN1CCc2nc(C3CC3)ncc2C1 ZINC000877655696 1299458302 /nfs/dbraw/zinc/45/83/02/1299458302.db2.gz IEJLDBOUSYCGFS-UHFFFAOYSA-N 1 0 338.411 3.437 20 5 EGBDRO CC(C)c1ccc(C[NH2+]CCCNc2ncccn2)cc1[N+](=O)[O-] ZINC000751507001 1299558634 /nfs/dbraw/zinc/55/86/34/1299558634.db2.gz OYEDLYXJHNILLY-UHFFFAOYSA-N 1 0 329.404 3.100 20 5 EGBDRO C[NH+](C)CCN(CCc1ccccc1)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000751897242 1299646360 /nfs/dbraw/zinc/64/63/60/1299646360.db2.gz MYQHPCGAIFVFMT-UHFFFAOYSA-N 1 0 348.834 3.254 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1nnc(C[N@@H+]2CCC3(CCCC3)C2)o1 ZINC000878148011 1299778719 /nfs/dbraw/zinc/77/87/19/1299778719.db2.gz DCJHBVOOBDOSJQ-UHFFFAOYSA-N 1 0 328.372 3.411 20 5 EGBDRO CCC1(CC)[C@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@@H](C)[C@H]1OC ZINC000759610971 1301128777 /nfs/dbraw/zinc/12/87/77/1301128777.db2.gz JPPPPALHECSVAW-VJUNAUMWSA-N 1 0 336.432 3.058 20 5 EGBDRO COCC[N@H+](Cn1nc(C)c2ccc([N+](=O)[O-])cc21)C1CCCC1 ZINC000761290905 1301436565 /nfs/dbraw/zinc/43/65/65/1301436565.db2.gz SMXMQLOVPJFDFA-UHFFFAOYSA-N 1 0 332.404 3.101 20 5 EGBDRO CCO[C@@H]1C[C@@H]([N@H+](C)Cn2ncc3cc([N+](=O)[O-])ccc32)C12CCC2 ZINC000763232903 1301854029 /nfs/dbraw/zinc/85/40/29/1301854029.db2.gz WJVAFIFYAFWLNN-IAGOWNOFSA-N 1 0 344.415 3.182 20 5 EGBDRO O=[N+]([O-])c1c(F)nccc1NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000882284803 1301911509 /nfs/dbraw/zinc/91/15/09/1301911509.db2.gz TYFVLNHTUJBKGM-CQSZACIVSA-N 1 0 330.363 3.063 20 5 EGBDRO C[C@H](c1ccccc1)[NH+]1CCN(c2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000882811317 1302114974 /nfs/dbraw/zinc/11/49/74/1302114974.db2.gz SACNMZUGVVSIJO-CQSZACIVSA-N 1 0 326.400 3.060 20 5 EGBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)Cc1ccco1 ZINC000764773415 1302132199 /nfs/dbraw/zinc/13/21/99/1302132199.db2.gz HVQYICQRPRXIAF-STQMWFEESA-N 1 0 331.372 3.126 20 5 EGBDRO CC[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1OC ZINC000765850273 1302340960 /nfs/dbraw/zinc/34/09/60/1302340960.db2.gz WROSCSRRENJMSE-IRXDYDNUSA-N 1 0 330.384 3.378 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C1CCN(C[C@H]2CCCO2)CC1 ZINC000765977679 1302360614 /nfs/dbraw/zinc/36/06/14/1302360614.db2.gz RWZITGDAQHXARU-MAUKXSAKSA-N 1 0 347.459 3.197 20 5 EGBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2c2nc3ccc([N+](=O)[O-])cc3s2)C1 ZINC000768538816 1302929325 /nfs/dbraw/zinc/92/93/25/1302929325.db2.gz GMTBNZCSZGFHPF-SMDDNHRTSA-N 1 0 332.429 3.125 20 5 EGBDRO CC(C)(O)C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C1CCOCC1 ZINC000768554693 1302932837 /nfs/dbraw/zinc/93/28/37/1302932837.db2.gz MLYUSIITFPNCCK-UHFFFAOYSA-N 1 0 342.823 3.000 20 5 EGBDRO C[C@H]1CN(c2cc[nH+]cc2)CCN1c1ccnc2ccc([N+](=O)[O-])cc21 ZINC000884853994 1303000470 /nfs/dbraw/zinc/00/04/70/1303000470.db2.gz YYOKCPNAKAPNTN-AWEZNQCLSA-N 1 0 349.394 3.253 20 5 EGBDRO Cc1cccc(C(=O)OCC[N@@H+](C)Cc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000769044470 1303036149 /nfs/dbraw/zinc/03/61/49/1303036149.db2.gz NFNKNCXTPOYKCI-UHFFFAOYSA-N 1 0 346.358 3.331 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CC[C@H](c3c(F)cccc3F)C2)cc1 ZINC000769225509 1303075555 /nfs/dbraw/zinc/07/55/55/1303075555.db2.gz OVWHDHXVGVHXNZ-SUMWQHHRSA-N 1 0 348.349 3.396 20 5 EGBDRO C[C@@H]1CC[N@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)CC12CCC2 ZINC000770672095 1303304034 /nfs/dbraw/zinc/30/40/34/1303304034.db2.gz XGLRRQZSNMPDGC-CQSZACIVSA-N 1 0 341.415 3.323 20 5 EGBDRO O=[N+]([O-])c1ncccc1C[N@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000886038789 1303329372 /nfs/dbraw/zinc/32/93/72/1303329372.db2.gz ATCSFISQLZQXCG-HZPDHXFCSA-N 1 0 345.399 3.451 20 5 EGBDRO COCC[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H]1CC[C@@H](C)C1 ZINC000775115970 1303911776 /nfs/dbraw/zinc/91/17/76/1303911776.db2.gz RDZFUGVWOBDEJP-OCCSQVGLSA-N 1 0 337.376 3.140 20 5 EGBDRO C[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000775927401 1304061869 /nfs/dbraw/zinc/06/18/69/1304061869.db2.gz NJEWHYRHWDNMSZ-MRXNPFEDSA-N 1 0 349.431 3.330 20 5 EGBDRO CCO[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1(CC)CC ZINC000776157623 1304103332 /nfs/dbraw/zinc/10/33/32/1304103332.db2.gz SHMQZUBTWNLZBJ-IXDOHACOSA-N 1 0 336.432 3.202 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@H]2CCCc3ccccc32)cc1 ZINC000776273432 1304125188 /nfs/dbraw/zinc/12/51/88/1304125188.db2.gz BDOGSMNABCFAAD-APWZRJJASA-N 1 0 326.396 3.338 20 5 EGBDRO Cc1cc(C)c(CC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000776276579 1304126554 /nfs/dbraw/zinc/12/65/54/1304126554.db2.gz KRBUNBXPKJZVER-LJQANCHMSA-N 1 0 328.412 3.386 20 5 EGBDRO Cc1nc(C(C)(C)[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)sc1C ZINC000776592119 1304178000 /nfs/dbraw/zinc/17/80/00/1304178000.db2.gz SZHJPMXWEBHMFH-AWEZNQCLSA-N 1 0 335.429 3.226 20 5 EGBDRO O=[N+]([O-])c1ccnn1C[N@@H+]1C[C@H](c2ccccc2)[C@H]2CCCC[C@H]21 ZINC000776773825 1304197652 /nfs/dbraw/zinc/19/76/52/1304197652.db2.gz BKVDHMCENSTOSG-BRWVUGGUSA-N 1 0 326.400 3.407 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N(CC[NH+](C)C)Cc2ccco2)c1C ZINC000889465085 1304489029 /nfs/dbraw/zinc/48/90/29/1304489029.db2.gz XEPXEELUNFUMKP-UHFFFAOYSA-N 1 0 345.399 3.009 20 5 EGBDRO CC(C)[C@H](Cc1ccccc1)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000779023313 1304519547 /nfs/dbraw/zinc/51/95/47/1304519547.db2.gz BTMHSSPKVOFGTQ-OALUTQOASA-N 1 0 328.412 3.485 20 5 EGBDRO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]CCc2ccccc2[N+](=O)[O-])C1 ZINC000779070666 1304526419 /nfs/dbraw/zinc/52/64/19/1304526419.db2.gz HQEWFAZENYCACH-OAHLLOKOSA-N 1 0 349.431 3.126 20 5 EGBDRO CC(C)c1ccc(C(=O)N2CCC([NH2+]C3CCC3)CC2)cc1[N+](=O)[O-] ZINC000889828143 1304599328 /nfs/dbraw/zinc/59/93/28/1304599328.db2.gz VSEDEKMVAHLNNG-UHFFFAOYSA-N 1 0 345.443 3.465 20 5 EGBDRO C[C@@H]1CC[C@H](C(F)(F)F)C[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000780386187 1304683466 /nfs/dbraw/zinc/68/34/66/1304683466.db2.gz VLLFUDRHXQFTQZ-OSMZGAPFSA-N 1 0 332.322 3.291 20 5 EGBDRO CC(C)(C)[C@H]1CC[N@H+](CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)C1 ZINC000784030797 1305179952 /nfs/dbraw/zinc/17/99/52/1305179952.db2.gz IIMFYADOIXOSJO-AWEZNQCLSA-N 1 0 346.431 3.162 20 5 EGBDRO COc1cccc([C@H](O)C[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)c1 ZINC000786815380 1305635116 /nfs/dbraw/zinc/63/51/16/1305635116.db2.gz SFQYPVLZSKMIFW-BZPDREMPSA-N 1 0 342.395 3.330 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@H]1CCOC2(CCOCC2)C1 ZINC000893135614 1305726571 /nfs/dbraw/zinc/72/65/71/1305726571.db2.gz NWPVDEASLIEWAH-AWEZNQCLSA-N 1 0 340.807 3.066 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)Cc1cccc(C(N)=O)c1 ZINC000787407191 1305741923 /nfs/dbraw/zinc/74/19/23/1305741923.db2.gz SSDFTPODOJVZAR-ZROIWOOFSA-N 1 0 339.395 3.229 20 5 EGBDRO CC1(C)CCC[C@@H]1[NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000788463530 1305948462 /nfs/dbraw/zinc/94/84/62/1305948462.db2.gz HDPYMOLVLNTNAP-ZDUSSCGKSA-N 1 0 325.796 3.355 20 5 EGBDRO O=[N+]([O-])c1ccc(CN2CC[NH+](CCc3ccccc3)CC2)cc1F ZINC000788471039 1305949923 /nfs/dbraw/zinc/94/99/23/1305949923.db2.gz RLLIIKRUNDADOL-UHFFFAOYSA-N 1 0 343.402 3.094 20 5 EGBDRO C[C@H](C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)N1CCc2ccccc21 ZINC000788574419 1305974331 /nfs/dbraw/zinc/97/43/31/1305974331.db2.gz TUQGIAQWOHCMAY-KGLIPLIRSA-N 1 0 340.427 3.279 20 5 EGBDRO C[C@H]1CCSCC[N@@H+]1Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000790479446 1306334017 /nfs/dbraw/zinc/33/40/17/1306334017.db2.gz VFUNGGHPZIFUPI-ZDUSSCGKSA-N 1 0 332.429 3.243 20 5 EGBDRO C[C@@H]1CCSCC[N@@H+]1Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000790479445 1306334032 /nfs/dbraw/zinc/33/40/32/1306334032.db2.gz VFUNGGHPZIFUPI-CYBMUJFWSA-N 1 0 332.429 3.243 20 5 EGBDRO COCC[N@H+](Cn1nc(C)c2cc([N+](=O)[O-])ccc21)[C@H]1CC[C@H](C)C1 ZINC000790481627 1306335888 /nfs/dbraw/zinc/33/58/88/1306335888.db2.gz XLNRPEQQIPTITI-ZFWWWQNUSA-N 1 0 346.431 3.347 20 5 EGBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]CCc1cnccn1 ZINC000811486440 1318183089 /nfs/dbraw/zinc/18/30/89/1318183089.db2.gz NHQCKOUOWBRODW-UHFFFAOYSA-N 1 0 327.171 3.024 20 5 EGBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000791118385 1308924356 /nfs/dbraw/zinc/92/43/56/1308924356.db2.gz XREPFYXHLAHQAJ-CQSZACIVSA-N 1 0 339.823 3.098 20 5 EGBDRO CCn1cc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c(C)n1 ZINC000894724157 1309038529 /nfs/dbraw/zinc/03/85/29/1309038529.db2.gz TUOXDVXVDJWJEU-MRXNPFEDSA-N 1 0 328.416 3.499 20 5 EGBDRO O=[N+]([O-])c1cnc(N2CC[NH2+]C3(CCCCC3)C2)c(C(F)(F)F)c1 ZINC000895253461 1309259445 /nfs/dbraw/zinc/25/94/45/1309259445.db2.gz UONFQXZTWOVZDR-UHFFFAOYSA-N 1 0 344.337 3.121 20 5 EGBDRO COc1ccc(-c2ccc(C[NH2+]C[C@H]3CC(C)=NO3)o2)c([N+](=O)[O-])c1 ZINC000895311722 1309280306 /nfs/dbraw/zinc/28/03/06/1309280306.db2.gz QOEGRWGGEWPRHY-CQSZACIVSA-N 1 0 345.355 3.118 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC(C)(C)[NH+]2CCCCC2)c1C ZINC000895445844 1309340609 /nfs/dbraw/zinc/34/06/09/1309340609.db2.gz JDFMNFPPMCRNIS-UHFFFAOYSA-N 1 0 333.432 3.206 20 5 EGBDRO Cn1cc(C[NH+]2CCC(F)(F)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000793361450 1309353859 /nfs/dbraw/zinc/35/38/59/1309353859.db2.gz HGYYNEXJYNZDQK-UHFFFAOYSA-N 1 0 336.342 3.226 20 5 EGBDRO CCCC[NH+]1CCC(NC(=O)c2c(C)c(C)ccc2[N+](=O)[O-])CC1 ZINC000895922655 1309593240 /nfs/dbraw/zinc/59/32/40/1309593240.db2.gz IKTNMXXGXHFXNZ-UHFFFAOYSA-N 1 0 333.432 3.206 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@@H](C4OCCO4)C3)o2)cc1 ZINC000896384162 1309832591 /nfs/dbraw/zinc/83/25/91/1309832591.db2.gz IHZVBTWMJXCOOH-CQSZACIVSA-N 1 0 344.367 3.050 20 5 EGBDRO O=C(CC[N@H+](CC1CC1)C1CCC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000796581228 1310041063 /nfs/dbraw/zinc/04/10/63/1310041063.db2.gz VTQXYIGQSYWNJI-UHFFFAOYSA-N 1 0 335.379 3.327 20 5 EGBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cccc2nsnc21 ZINC000801600050 1310973354 /nfs/dbraw/zinc/97/33/54/1310973354.db2.gz JUMPGEWZUAYTMR-UHFFFAOYSA-N 1 0 328.397 3.274 20 5 EGBDRO CC1(C)CCCN1CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000825327728 1320328865 /nfs/dbraw/zinc/32/88/65/1320328865.db2.gz VCULKFWUQZOBLZ-UHFFFAOYSA-N 1 0 346.475 3.028 20 5 EGBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000929223667 1328541469 /nfs/dbraw/zinc/54/14/69/1328541469.db2.gz ZRXPGGDOORSFEJ-CQSZACIVSA-N 1 0 334.420 3.099 20 5 EGBDRO CC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000804326068 1317219689 /nfs/dbraw/zinc/21/96/89/1317219689.db2.gz FIEIRSUKPZHUDD-QGZVFWFLSA-N 1 0 341.411 3.382 20 5 EGBDRO C[C@@H](Nc1nc2ccccn2c1[N+](=O)[O-])[C@@H](c1ccccc1)[NH+](C)C ZINC000804678083 1317273409 /nfs/dbraw/zinc/27/34/09/1317273409.db2.gz DBBCVJYXFRNXFF-CJNGLKHVSA-N 1 0 339.399 3.346 20 5 EGBDRO Cc1cc(N2CC(O)(c3ccccc3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000804837671 1317290989 /nfs/dbraw/zinc/29/09/89/1317290989.db2.gz SJOHYFCNRIEGAB-UHFFFAOYSA-N 1 0 335.363 3.159 20 5 EGBDRO CCCNC(=O)OC[C@H]1CCCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000805772805 1317423238 /nfs/dbraw/zinc/42/32/38/1317423238.db2.gz KVEJSPVCLJVCEB-QGZVFWFLSA-N 1 0 349.431 3.128 20 5 EGBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)C1CCCCCC1 ZINC001020022082 1317504453 /nfs/dbraw/zinc/50/44/53/1317504453.db2.gz QSGUHQNOOZCPKL-QAQDUYKDSA-N 1 0 345.443 3.302 20 5 EGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1Cc2ccccc2[C@H]1N ZINC000902436591 1317578355 /nfs/dbraw/zinc/57/83/55/1317578355.db2.gz CEFDDMZXMGKFAI-BOFPYLFWSA-N 1 0 325.412 3.130 20 5 EGBDRO CCOc1ccc([C@@H](C)NCc2cc(N(C)C)cc[nH+]2)cc1[N+](=O)[O-] ZINC000903201831 1317673842 /nfs/dbraw/zinc/67/38/42/1317673842.db2.gz OPQFLXJVGLZFEU-CYBMUJFWSA-N 1 0 344.415 3.305 20 5 EGBDRO CCCCN(C)C[C@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000808733634 1317726158 /nfs/dbraw/zinc/72/61/58/1317726158.db2.gz ZFAOICVJZGZREJ-INIZCTEOSA-N 1 0 348.491 3.274 20 5 EGBDRO Cc1nn(C[N@@H+](C)Cc2c(C)cccc2C)c2ncc([N+](=O)[O-])cc12 ZINC000904439651 1317847272 /nfs/dbraw/zinc/84/72/72/1317847272.db2.gz QBLSZPUKYXPNDI-UHFFFAOYSA-N 1 0 339.399 3.354 20 5 EGBDRO CN(CCCC[NH+](C)C)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000809914972 1317917224 /nfs/dbraw/zinc/91/72/24/1317917224.db2.gz PSBMOVDXOSJRRL-UHFFFAOYSA-N 1 0 328.800 3.054 20 5 EGBDRO CC[C@@H]1CCCCN1C(=O)[C@@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000905852747 1318006889 /nfs/dbraw/zinc/00/68/89/1318006889.db2.gz NAHHXZBTQPQHTO-IIAWOOMASA-N 1 0 333.432 3.425 20 5 EGBDRO O=C(O[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000810844545 1318064030 /nfs/dbraw/zinc/06/40/30/1318064030.db2.gz OGDPSVWCNLKJKG-TZMCWYRMSA-N 1 0 330.340 3.125 20 5 EGBDRO CC[NH+](CC)CCOc1cccc(NC(=O)c2ccc([N+](=O)[O-])o2)c1 ZINC000907081104 1318181437 /nfs/dbraw/zinc/18/14/37/1318181437.db2.gz ZTLPQOTTWAZPGN-UHFFFAOYSA-N 1 0 347.371 3.161 20 5 EGBDRO COC(=O)[C@@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)CC(C)C ZINC000813330789 1318535501 /nfs/dbraw/zinc/53/55/01/1318535501.db2.gz AIENBEXOLIOZNR-GFCCVEGCSA-N 1 0 328.796 3.173 20 5 EGBDRO CCC(CC)(C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)OC ZINC000814177531 1318688961 /nfs/dbraw/zinc/68/89/61/1318688961.db2.gz GCBIZFCLCPUJHD-UHFFFAOYSA-N 1 0 335.448 3.358 20 5 EGBDRO CC[NH+](CC)CCCOC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000815405407 1318980374 /nfs/dbraw/zinc/98/03/74/1318980374.db2.gz UTOWUFGDPHELKL-UHFFFAOYSA-N 1 0 328.796 3.445 20 5 EGBDRO C[C@@H]([NH2+]C[C@H]1COc2ccccc2C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815566072 1319017310 /nfs/dbraw/zinc/01/73/10/1319017310.db2.gz IEYKASISTNIULK-OLZOCXBDSA-N 1 0 327.384 3.079 20 5 EGBDRO Cc1cccc2c1OC[C@@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)C2 ZINC000815628208 1319032330 /nfs/dbraw/zinc/03/23/30/1319032330.db2.gz UMTFGUUSUPYAOW-WFASDCNBSA-N 1 0 327.384 3.140 20 5 EGBDRO C[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1cc[nH]c(=O)c1 ZINC000815642381 1319034693 /nfs/dbraw/zinc/03/46/93/1319034693.db2.gz AHSJYQOVLLGXGB-ZDUSSCGKSA-N 1 0 342.399 3.015 20 5 EGBDRO Cc1ccc(OCCCC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000818961112 1319592122 /nfs/dbraw/zinc/59/21/22/1319592122.db2.gz LWVLVDZVFCBWJZ-IBGZPJMESA-N 1 0 344.411 3.385 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](O)c1cccc(Cl)c1 ZINC000818968838 1319594924 /nfs/dbraw/zinc/59/49/24/1319594924.db2.gz YXCAYCQMBMEAGT-HNNXBMFYSA-N 1 0 336.775 3.080 20 5 EGBDRO Cc1cccc(C)c1OC[C@H](C)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818975266 1319600496 /nfs/dbraw/zinc/60/04/96/1319600496.db2.gz VJVAEXBXLGINPU-YJBOKZPZSA-N 1 0 344.411 3.302 20 5 EGBDRO COc1ccc(C(C)(C)C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000818984852 1319604934 /nfs/dbraw/zinc/60/49/34/1319604934.db2.gz LZKOVPHVMGLXHO-SFHVURJKSA-N 1 0 344.411 3.204 20 5 EGBDRO CC(C)[C@@H](CNC[C@H](O)c1cccc([N+](=O)[O-])c1)[NH+]1CCCCCC1 ZINC000819018497 1319614361 /nfs/dbraw/zinc/61/43/61/1319614361.db2.gz YPOMSZCQHXEMKY-MOPGFXCFSA-N 1 0 349.475 3.118 20 5 EGBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]C[C@@H](O)c2ccccc2F)cc1 ZINC000819092505 1319632808 /nfs/dbraw/zinc/63/28/08/1319632808.db2.gz XZBDXVVXDKNXFU-GOSISDBHSA-N 1 0 332.375 3.380 20 5 EGBDRO Cc1cccc2c(CC[NH2+]C[C@@H](O)c3cccc([N+](=O)[O-])c3)c[nH]c21 ZINC000819099459 1319634351 /nfs/dbraw/zinc/63/43/51/1319634351.db2.gz AXOGZXKEUJUKJJ-GOSISDBHSA-N 1 0 339.395 3.250 20 5 EGBDRO COc1ccc([C@H](C)CC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000819102236 1319635401 /nfs/dbraw/zinc/63/54/01/1319635401.db2.gz HWMFFDBIQAJMNZ-KUHUBIRLSA-N 1 0 344.411 3.420 20 5 EGBDRO Cc1cc(C)cc(C[C@@H](C)[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000819110923 1319637671 /nfs/dbraw/zinc/63/76/71/1319637671.db2.gz KRYHVFJQIDGDDY-BEFAXECRSA-N 1 0 328.412 3.466 20 5 EGBDRO CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000930359720 1328842051 /nfs/dbraw/zinc/84/20/51/1328842051.db2.gz DVLCINGUQQYEJG-BMGDILEWSA-N 1 0 347.459 3.325 20 5 EGBDRO CCOc1cc(C)ccc1C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819149125 1319649423 /nfs/dbraw/zinc/64/94/23/1319649423.db2.gz HGRMLVUWFYXHME-QGZVFWFLSA-N 1 0 330.384 3.125 20 5 EGBDRO COc1ccc(C[C@H](C)C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000819189676 1319661380 /nfs/dbraw/zinc/66/13/80/1319661380.db2.gz DPRHVIKIVLZZPR-IFXJQAMLSA-N 1 0 344.411 3.105 20 5 EGBDRO COc1cccc(C(C)(C)C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000819185927 1319662134 /nfs/dbraw/zinc/66/21/34/1319662134.db2.gz SRERTZVRUQVNNM-SFHVURJKSA-N 1 0 344.411 3.204 20 5 EGBDRO C[C@@H](CCOCc1ccccc1)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819314281 1319693852 /nfs/dbraw/zinc/69/38/52/1319693852.db2.gz WNJYJSQKAGYLRP-HNAYVOBHSA-N 1 0 344.411 3.213 20 5 EGBDRO CC(C)C[NH+](CC(C)C)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000917612996 1319849514 /nfs/dbraw/zinc/84/95/14/1319849514.db2.gz FZLOZOMRIGDFFO-UHFFFAOYSA-N 1 0 333.230 3.125 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000824376650 1320252729 /nfs/dbraw/zinc/25/27/29/1320252729.db2.gz SGMFLSVAFSJYKI-GJZGRUSLSA-N 1 0 349.456 3.063 20 5 EGBDRO C[C@@H](CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](C)C1 ZINC000825460589 1320341042 /nfs/dbraw/zinc/34/10/42/1320341042.db2.gz BKTAYPQALIHVJG-RYUDHWBXSA-N 1 0 339.823 3.098 20 5 EGBDRO Cc1cc(Cl)c(C(=O)NC[C@H](C)[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000825505482 1320343706 /nfs/dbraw/zinc/34/37/06/1320343706.db2.gz JGZVTBLFYBLPTM-LBPRGKRZSA-N 1 0 339.823 3.161 20 5 EGBDRO C[N@@H+]1CCCC[C@H]1CCOC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000840227481 1321053981 /nfs/dbraw/zinc/05/39/81/1321053981.db2.gz LCZMFXVXLNMEIJ-NSHDSACASA-N 1 0 326.780 3.279 20 5 EGBDRO CC[NH2+]CC1CCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000841010214 1321199558 /nfs/dbraw/zinc/19/95/58/1321199558.db2.gz CNXNADSRUHTYOB-UHFFFAOYSA-N 1 0 340.811 3.102 20 5 EGBDRO [NH3+]C[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1Cl)C1CCCCC1 ZINC000841232947 1321237017 /nfs/dbraw/zinc/23/70/17/1321237017.db2.gz HGJFLEUKIUAZBR-GFCCVEGCSA-N 1 0 340.811 3.277 20 5 EGBDRO CC(C)[N@@H+]1CCC[C@@H](COC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000842834173 1321438808 /nfs/dbraw/zinc/43/88/08/1321438808.db2.gz RGOQPYIOSOEWCO-HUUCEWRRSA-N 1 0 334.416 3.362 20 5 EGBDRO CC(C)[N@@H+]1CCC[C@H](COC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000842837500 1321440291 /nfs/dbraw/zinc/44/02/91/1321440291.db2.gz XJBPMNRQPVOKOT-HNNXBMFYSA-N 1 0 349.431 3.060 20 5 EGBDRO CCC[NH+](CCC)CCCNC(=O)c1c(C)c(F)ccc1[N+](=O)[O-] ZINC000843787851 1321547977 /nfs/dbraw/zinc/54/79/77/1321547977.db2.gz WEOSEWDCQSKIDL-UHFFFAOYSA-N 1 0 339.411 3.284 20 5 EGBDRO CN(CC[NH+]1CCCCC1)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000844656039 1321631472 /nfs/dbraw/zinc/63/14/72/1321631472.db2.gz GGZKHFAWHUCGSS-UHFFFAOYSA-N 1 0 340.811 3.198 20 5 EGBDRO Cc1nn(CN2CCC[C@@H](OC(C)C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000844718445 1321639708 /nfs/dbraw/zinc/63/97/08/1321639708.db2.gz VDRPBMOAPSPHAE-OAHLLOKOSA-N 1 0 332.404 3.100 20 5 EGBDRO C[N@@H+]1CCC[C@@H]2CN(c3cc(Cl)c(F)cc3[N+](=O)[O-])CC[C@H]21 ZINC000845502076 1321713706 /nfs/dbraw/zinc/71/37/06/1321713706.db2.gz YNKAPAHZZLTUHQ-ZWNOBZJWSA-N 1 0 327.787 3.308 20 5 EGBDRO C[C@@H]([NH2+][C@@H]1CCC1(C)C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000846961455 1321828492 /nfs/dbraw/zinc/82/84/92/1321828492.db2.gz SKTRBDJZWLNJQA-NOZJJQNGSA-N 1 0 325.796 3.353 20 5 EGBDRO CC[C@H]1C[N@H+](C)CCCN1C(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000846987349 1321831142 /nfs/dbraw/zinc/83/11/42/1321831142.db2.gz FPYXVMDHFXMKTH-LBPRGKRZSA-N 1 0 339.823 3.113 20 5 EGBDRO C[C@@H]1CCSCC[N@@H+]1Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000848484653 1321963777 /nfs/dbraw/zinc/96/37/77/1321963777.db2.gz BJXXCQXZMDUWBB-CYBMUJFWSA-N 1 0 332.429 3.243 20 5 EGBDRO CC(C)(C)[C@@H](Cn1ccnc1)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000848522175 1321968447 /nfs/dbraw/zinc/96/84/47/1321968447.db2.gz VETABKKXRNOCPU-NVXWUHKLSA-N 1 0 328.416 3.483 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000848525762 1321969556 /nfs/dbraw/zinc/96/95/56/1321969556.db2.gz UHSXVCDAEOTYFN-MRXNPFEDSA-N 1 0 327.340 3.323 20 5 EGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@H](CCO)Cc1ccccc1 ZINC000848547925 1321974273 /nfs/dbraw/zinc/97/42/73/1321974273.db2.gz CXNDFJPOAPAICS-CRAIPNDOSA-N 1 0 326.396 3.165 20 5 EGBDRO O=C(NCCCCCCC[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000920251253 1322155166 /nfs/dbraw/zinc/15/51/66/1322155166.db2.gz XKWVURMOWCRGGX-UHFFFAOYSA-N 1 0 333.432 3.371 20 5 EGBDRO C[S@](=O)[C@@H]1CCC[C@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000850357054 1322233818 /nfs/dbraw/zinc/23/38/18/1322233818.db2.gz XCFWDFDLZKHCRQ-QRQYBIJMSA-N 1 0 330.837 3.028 20 5 EGBDRO CCN(C(=O)C[NH2+]Cc1cccc([N+](=O)[O-])c1C)c1ccccc1 ZINC000922475652 1322536860 /nfs/dbraw/zinc/53/68/60/1322536860.db2.gz XRKSIOAMURJMLH-UHFFFAOYSA-N 1 0 327.384 3.046 20 5 EGBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000852521046 1323204627 /nfs/dbraw/zinc/20/46/27/1323204627.db2.gz RTZXDEBPEZBIKG-FUHWJXTLSA-N 1 0 344.386 3.332 20 5 EGBDRO C[C@@H]1CCC[C@H](C)C[N@H+]1Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853497595 1325105336 /nfs/dbraw/zinc/10/53/36/1325105336.db2.gz CCZAUUOSGVSWNA-UONOGXRCSA-N 1 0 329.404 3.321 20 5 EGBDRO O=[N+]([O-])c1cn(C[N@H+](CC2CC2)CC2CCC2)nc1-c1ccccn1 ZINC000853509643 1325108620 /nfs/dbraw/zinc/10/86/20/1325108620.db2.gz BYADBFBCDRGIFA-UHFFFAOYSA-N 1 0 341.415 3.323 20 5 EGBDRO C[C@@H]1C[N@H+](Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)[C@H]2CCCC[C@H]12 ZINC000853506524 1325109558 /nfs/dbraw/zinc/10/95/58/1325109558.db2.gz NMRYBOAMJBGJJX-FMKPAKJESA-N 1 0 341.415 3.321 20 5 EGBDRO Cc1cc(Cl)c(C(=O)NCC[N@@H+]2CCCC2(C)C)cc1[N+](=O)[O-] ZINC000854893308 1325319702 /nfs/dbraw/zinc/31/97/02/1325319702.db2.gz IFPBUFIUXVDRAR-UHFFFAOYSA-N 1 0 339.823 3.161 20 5 EGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1CCCN1CC(F)(F)F ZINC000926921671 1327777482 /nfs/dbraw/zinc/77/74/82/1327777482.db2.gz GCUSLAFKADSYHH-FZMZJTMJSA-N 1 0 343.349 3.198 20 5 EGBDRO C[C@@H]([NH2+]C[C@@H]1CCCN1CC(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000926927400 1327780633 /nfs/dbraw/zinc/78/06/33/1327780633.db2.gz VDDCDNFZXJHFNQ-RISCZKNCSA-N 1 0 331.338 3.272 20 5 EGBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000861754756 1329439447 /nfs/dbraw/zinc/43/94/47/1329439447.db2.gz PIEDWDJATNMLPG-LLVKDONJSA-N 1 0 327.812 3.098 20 5 EGBDRO O=[N+]([O-])c1cc(CO)c(N[C@H]2CC[N@@H+](C3CCCCC3)C2)cc1F ZINC000865943814 1329753446 /nfs/dbraw/zinc/75/34/46/1329753446.db2.gz YQGSWJLGBFTSSP-ZDUSSCGKSA-N 1 0 337.395 3.045 20 5 EGBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1CN1CC[C@@H](C2OCCO2)C1 ZINC000931998911 1329777597 /nfs/dbraw/zinc/77/75/97/1329777597.db2.gz BSGCTZTUFBVXEX-SECBINFHSA-N 1 0 347.198 3.096 20 5 EGBDRO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000932181074 1329791573 /nfs/dbraw/zinc/79/15/73/1329791573.db2.gz HJKPQXQVHRBNKQ-KGLIPLIRSA-N 1 0 333.432 3.425 20 5 EGBDRO C[C@H](CCNC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000935358790 1330047327 /nfs/dbraw/zinc/04/73/27/1330047327.db2.gz BNIUJEVSUAHXKW-ZTFGCOKTSA-N 1 0 345.443 3.079 20 5 EGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H]1CSCCS1 ZINC000866279710 1330089959 /nfs/dbraw/zinc/08/99/59/1330089959.db2.gz BZSRGBRTWSIFKL-GWCFXTLKSA-N 1 0 330.450 3.103 20 5 EGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H](CO)c1ccccc1 ZINC000866281504 1330090222 /nfs/dbraw/zinc/09/02/22/1330090222.db2.gz IVYNIQFSFQBNLS-CJNGLKHVSA-N 1 0 332.375 3.031 20 5 EGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1c(C2CC2)cnn1C ZINC000866390629 1330105751 /nfs/dbraw/zinc/10/57/51/1330105751.db2.gz OZSYODIXSXVRSG-NSHDSACASA-N 1 0 332.379 3.066 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H](C)CC1(C)OCCO1 ZINC000866427024 1330110699 /nfs/dbraw/zinc/11/06/99/1330110699.db2.gz GWOPISHZQNTVCN-STQMWFEESA-N 1 0 338.404 3.043 20 5 EGBDRO Cc1ccc([C@@H](C)NC(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)s1 ZINC000867942600 1330230836 /nfs/dbraw/zinc/23/08/36/1330230836.db2.gz DDSCKLWOKOVPRR-BZNIZROVSA-N 1 0 333.413 3.016 20 5 EGBDRO C[C@H](c1ccccc1)[C@H](C)NC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000867945501 1330231265 /nfs/dbraw/zinc/23/12/65/1330231265.db2.gz WLVWCVQGLZYECG-NJSLBKSFSA-N 1 0 341.411 3.077 20 5 EGBDRO C[C@H](NC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1)[C@@H](C)c1ccccc1 ZINC000867945499 1330231315 /nfs/dbraw/zinc/23/13/15/1330231315.db2.gz WLVWCVQGLZYECG-BIENJYKASA-N 1 0 341.411 3.077 20 5 EGBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC001030010842 1341157061 /nfs/dbraw/zinc/15/70/61/1341157061.db2.gz IHKSRYKTPLULPR-UHFFFAOYSA-N 1 0 347.459 3.311 20 5 EGBDRO O=C(N[C@H]1CC[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CC1)C1=CCCC1 ZINC001034621792 1342655154 /nfs/dbraw/zinc/65/51/54/1342655154.db2.gz HGGIJUDDOBERJW-QAQDUYKDSA-N 1 0 343.427 3.222 20 5 EGBDRO O=C(Nc1cc2cccnc2c2ncccc12)C12CCC[NH+]1CCC2 ZINC001183557451 1387318680 /nfs/dbraw/zinc/31/86/80/1387318680.db2.gz QYOXJEFUQBUDDZ-UHFFFAOYSA-N 1 0 332.407 3.350 20 5 EGBDRO C[NH+](C)Cc1cccc(NC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001323283387 1387322957 /nfs/dbraw/zinc/32/29/57/1387322957.db2.gz PVXXMGDNJFADKA-UHFFFAOYSA-N 1 0 340.383 3.204 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCCC[C@H]1[NH+](C)C ZINC001323971955 1387502133 /nfs/dbraw/zinc/50/21/33/1387502133.db2.gz JKSNUPPKIJOECB-UKRRQHHQSA-N 1 0 334.420 3.206 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCC[N@@H+]3CCC[C@@H]3C2)nc1-c1ccccc1 ZINC001324529101 1387659972 /nfs/dbraw/zinc/65/99/72/1387659972.db2.gz SPJFXEIGKWCDEA-MRXNPFEDSA-N 1 0 338.411 3.331 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCCC[C@@H]2[NH+](C)C)cc1Cl ZINC001325684924 1388030158 /nfs/dbraw/zinc/03/01/58/1388030158.db2.gz WZDWWKRMSPAGQP-KBPBESRZSA-N 1 0 339.823 3.159 20 5 EGBDRO CC/C=C(\C)C(=O)N1CCC(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001204662326 1370539130 /nfs/dbraw/zinc/53/91/30/1370539130.db2.gz MSPRULQJKOMRNX-PJQLUOCWSA-N 1 0 345.443 3.279 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ncn(C[N@@H+]3CC[C@H]4CCCC[C@@H]4C3)n2)cc1 ZINC001116018007 1370820543 /nfs/dbraw/zinc/82/05/43/1370820543.db2.gz SWYKMCQDAJFJNK-GDBMZVCRSA-N 1 0 341.415 3.323 20 5 EGBDRO CC(C)(C)[NH+]1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC001116139418 1370845955 /nfs/dbraw/zinc/84/59/55/1370845955.db2.gz QWPPIDPYSCSBQZ-UHFFFAOYSA-N 1 0 329.347 3.117 20 5 EGBDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC001116753148 1370967901 /nfs/dbraw/zinc/96/79/01/1370967901.db2.gz MWGHRDRMGJOPPS-SIXLDLHFSA-N 1 0 346.427 3.237 20 5 EGBDRO COC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001116771355 1370971057 /nfs/dbraw/zinc/97/10/57/1370971057.db2.gz PXFNCCWAVVKTPJ-JKSUJKDBSA-N 1 0 344.367 3.286 20 5 EGBDRO Cc1ccc(C[N@@H+]2CCCN(c3c(C)cncc3[N+](=O)[O-])CC2)cc1 ZINC001117279392 1371032994 /nfs/dbraw/zinc/03/29/94/1371032994.db2.gz DHEYBZPDIUWPRY-UHFFFAOYSA-N 1 0 340.427 3.319 20 5 EGBDRO C[NH+](C)[C@H]1CCCN(c2ncnc3c(Cl)cc([N+](=O)[O-])cc32)CC1 ZINC001118530521 1371193264 /nfs/dbraw/zinc/19/32/64/1371193264.db2.gz PYQVOXOKNQZKEE-NSHDSACASA-N 1 0 349.822 3.112 20 5 EGBDRO CC[NH+](CC)C1CCN(C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001119664250 1371384258 /nfs/dbraw/zinc/38/42/58/1371384258.db2.gz NULUJGXTAUNMFM-AWEZNQCLSA-N 1 0 348.447 3.172 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H]2CCO[C@@H](c3cccs3)C2)c1 ZINC001120515185 1371595998 /nfs/dbraw/zinc/59/59/98/1371595998.db2.gz GKWJZXRTXSKSGQ-VNQPRFMTSA-N 1 0 348.424 3.200 20 5 EGBDRO C[N@@H+]1CCC[C@H](CNc2cc(N)c([N+](=O)[O-])cn2)[C@H]1c1cccs1 ZINC001120902572 1371801084 /nfs/dbraw/zinc/80/10/84/1371801084.db2.gz UGHXOBQPAPMVJF-BZNIZROVSA-N 1 0 347.444 3.129 20 5 EGBDRO CC1(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])CCCCCC1 ZINC001129648488 1373407825 /nfs/dbraw/zinc/40/78/25/1373407825.db2.gz YXQDDAZOTQBJBE-UHFFFAOYSA-N 1 0 333.432 3.161 20 5 EGBDRO O=c1oc2cc(O[C@@H]3CCC[NH2+]C[C@@H]3F)ccc2c2ccccc12 ZINC001217943914 1373514702 /nfs/dbraw/zinc/51/47/02/1373514702.db2.gz CHTYWYOEJRHMGZ-DLBZAZTESA-N 1 0 327.355 3.415 20 5 EGBDRO O=[N+]([O-])c1cc(O[C@@H]2CCCC[NH2+]C2)c(F)cc1Br ZINC001217970000 1373521809 /nfs/dbraw/zinc/52/18/09/1373521809.db2.gz GQEOPOFIPOVBRY-MRVPVSSYSA-N 1 0 333.157 3.017 20 5 EGBDRO C[C@@H]1C[NH2+]CCC[C@@H]1Oc1cc(F)c(Br)cc1[N+](=O)[O-] ZINC001217989898 1373528279 /nfs/dbraw/zinc/52/82/79/1373528279.db2.gz RJHSSJYSAQKOOA-PELKAZGASA-N 1 0 347.184 3.263 20 5 EGBDRO C[C@H](Oc1cc([N+](=O)[O-])c(F)cc1Br)C1CC[NH2+]CC1 ZINC001218002727 1373531729 /nfs/dbraw/zinc/53/17/29/1373531729.db2.gz RSUXWMINQVVNRK-QMMMGPOBSA-N 1 0 347.184 3.263 20 5 EGBDRO Cc1cc(O[C@H]2CC[NH2+][C@H](C)C2)c([N+](=O)[O-])cc1Br ZINC001218054999 1373548746 /nfs/dbraw/zinc/54/87/46/1373548746.db2.gz GTBKLCIMJHOKRB-ZJUUUORDSA-N 1 0 329.194 3.185 20 5 EGBDRO C[C@@H]1C[C@@H](Oc2c([N+](=O)[O-])cc(C(C)(C)C)cc2[N+](=O)[O-])CC[NH2+]1 ZINC001218062403 1373550349 /nfs/dbraw/zinc/55/03/49/1373550349.db2.gz SYXQWJRTWZJYNM-PWSUYJOCSA-N 1 0 337.376 3.320 20 5 EGBDRO Cc1cc(Br)c(O[C@@H]2CC[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC001218061640 1373550352 /nfs/dbraw/zinc/55/03/52/1373550352.db2.gz QDDATSFYGPSHQW-VHSXEESVSA-N 1 0 329.194 3.185 20 5 EGBDRO Cc1cc(Br)c(O[C@@H]2CC[NH2+][C@H](C)C2)cc1[N+](=O)[O-] ZINC001218061637 1373550400 /nfs/dbraw/zinc/55/04/00/1373550400.db2.gz QDDATSFYGPSHQW-NXEZZACHSA-N 1 0 329.194 3.185 20 5 EGBDRO O=[N+]([O-])c1cccc(O[C@@H]2CCC[C@@]23CC[NH2+]C3)c1Br ZINC001218090698 1373558155 /nfs/dbraw/zinc/55/81/55/1373558155.db2.gz CGIPIWSHNFEVFX-OCCSQVGLSA-N 1 0 341.205 3.268 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)c(Cl)cc1O[C@@H]1CSC2(C[NH2+]C2)C1 ZINC001218099956 1373560647 /nfs/dbraw/zinc/56/06/47/1373560647.db2.gz XIYAFTJQGFNKFS-ZETCQYMHSA-N 1 0 335.212 3.128 20 5 EGBDRO CC1(C)C[NH2+]CC[C@H]1Oc1ccc([N+](=O)[O-])c(Br)c1 ZINC001218313872 1373593618 /nfs/dbraw/zinc/59/36/18/1373593618.db2.gz DXKQIKXOQIKNFJ-GFCCVEGCSA-N 1 0 329.194 3.124 20 5 EGBDRO CC(C)(C)c1cc([N+](=O)[O-])c(O[C@H]2C[NH2+]CCC23CC3)c([N+](=O)[O-])c1 ZINC001218406704 1373608684 /nfs/dbraw/zinc/60/86/84/1373608684.db2.gz YBNHOPOLSHFZNM-AWEZNQCLSA-N 1 0 349.387 3.321 20 5 EGBDRO CC1(C)C[C@@H](Oc2ccc(OC(F)(F)F)cc2[N+](=O)[O-])CC[NH2+]1 ZINC001218470406 1373619966 /nfs/dbraw/zinc/61/99/66/1373619966.db2.gz CKDGNHMYJPWWLZ-JTQLQIEISA-N 1 0 334.294 3.403 20 5 EGBDRO CC1(C)C[C@@H](Oc2cc([N+](=O)[O-])c(Br)cc2F)CC[NH2+]1 ZINC001218473614 1373620246 /nfs/dbraw/zinc/62/02/46/1373620246.db2.gz ZUEYGGZKDNORFE-QMMMGPOBSA-N 1 0 347.184 3.406 20 5 EGBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Oc1ccc(N)c([N+](=O)[O-])c1 ZINC001218484928 1373623478 /nfs/dbraw/zinc/62/34/78/1373623478.db2.gz MHSWPVDAXCULNX-UGSOOPFHSA-N 1 0 327.384 3.076 20 5 EGBDRO O=C(CC1CCC1)NCC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001222755818 1373868153 /nfs/dbraw/zinc/86/81/53/1373868153.db2.gz BMVWRWZDRHARBA-UHFFFAOYSA-N 1 0 345.443 3.113 20 5 EGBDRO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1Oc1ncccc1[N+](=O)[O-] ZINC001225589832 1375127260 /nfs/dbraw/zinc/12/72/60/1375127260.db2.gz FRAOKBPTNJVJSK-WMLDXEAASA-N 1 0 327.384 3.279 20 5 EGBDRO O=[N+]([O-])c1cccnc1OC1CC[NH+](CCc2ccccc2)CC1 ZINC001225595626 1375129822 /nfs/dbraw/zinc/12/98/22/1375129822.db2.gz KBZCGGPAZFTABW-UHFFFAOYSA-N 1 0 327.384 3.076 20 5 EGBDRO O=[N+]([O-])c1ccc(O[C@H]2CC[N@H+](Cc3ccccc3Cl)C2)nc1 ZINC001225635080 1375136479 /nfs/dbraw/zinc/13/64/79/1375136479.db2.gz XFMCDGANUVOMML-AWEZNQCLSA-N 1 0 333.775 3.297 20 5 EGBDRO O=[N+]([O-])c1c(F)cccc1OC[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001225667075 1375140901 /nfs/dbraw/zinc/14/09/01/1375140901.db2.gz NZZGWDWZRQKVPL-HNNXBMFYSA-N 1 0 346.358 3.014 20 5 EGBDRO CC[NH+](CC)C[C@@H](C)Oc1ccc([N+](=O)[O-])cc1Br ZINC001226040722 1375193547 /nfs/dbraw/zinc/19/35/47/1375193547.db2.gz HPPFRFLVNXASTG-SNVBAGLBSA-N 1 0 331.210 3.466 20 5 EGBDRO C[C@@H](C[N+](C)(C)C)Oc1ncc(C(F)(F)F)cc1Br ZINC001226108092 1375204455 /nfs/dbraw/zinc/20/44/55/1375204455.db2.gz VPUBSPPPZMXOFA-QMMMGPOBSA-N 1 0 342.179 3.336 20 5 EGBDRO C[C@@H](C[N+](C)(C)C)Oc1c(Cl)nccc1NC(=O)C(C)(C)C ZINC001226122263 1375207461 /nfs/dbraw/zinc/20/74/61/1375207461.db2.gz KXKNGWUTLZSRRK-NSHDSACASA-O 1 0 328.864 3.193 20 5 EGBDRO CC/C=C(/C)C(=O)NC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001226361501 1375246004 /nfs/dbraw/zinc/24/60/04/1375246004.db2.gz PCYZLBQTUZXEFK-RZNTYIFUSA-N 1 0 331.416 3.032 20 5 EGBDRO CC[NH+]1CCC(Oc2cc([N+](=O)[O-])ccc2Br)CC1 ZINC001226582563 1375285230 /nfs/dbraw/zinc/28/52/30/1375285230.db2.gz MHYVUTFCMGCFSE-UHFFFAOYSA-N 1 0 329.194 3.220 20 5 EGBDRO CC[NH+]1CCC(Oc2ccc(OC(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC001227602556 1375451589 /nfs/dbraw/zinc/45/15/89/1375451589.db2.gz SKEHFWXAPQXNBH-UHFFFAOYSA-N 1 0 334.294 3.357 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)ccc1O[C@H]1CC[C@@H]([NH+]2CCOCC2)CC1 ZINC001229382020 1375823773 /nfs/dbraw/zinc/82/37/73/1375823773.db2.gz YOJJRIJSZBSGLJ-OKILXGFUSA-N 1 0 340.807 3.270 20 5 EGBDRO Cc1cc(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)ccc1Cl ZINC001133244647 1375864990 /nfs/dbraw/zinc/86/49/90/1375864990.db2.gz KKGYVZTVMQSCGT-UHFFFAOYSA-N 1 0 347.802 3.076 20 5 EGBDRO C[C@@H](C[N+](C)(C)C)Oc1nc2ccccc2n1C(=O)OC(C)(C)C ZINC001229753115 1375886464 /nfs/dbraw/zinc/88/64/64/1375886464.db2.gz YUUJFTYOTSAVPB-ZDUSSCGKSA-N 1 0 334.440 3.293 20 5 EGBDRO C[NH+](C)[C@H]1CC[C@H](Oc2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC001233746447 1376709910 /nfs/dbraw/zinc/70/99/10/1376709910.db2.gz ZQDVVXUPUCHTKH-MGCOHNPYSA-N 1 0 333.310 3.260 20 5 EGBDRO CC[N@@H+]1CCC[C@H](Oc2cc(N3CCCCC3)ccc2[N+](=O)[O-])C1 ZINC001234368811 1376821224 /nfs/dbraw/zinc/82/12/24/1376821224.db2.gz OJIHMMCRLSQLJN-INIZCTEOSA-N 1 0 333.432 3.448 20 5 EGBDRO c1cnc2c(c1)ccc1ccc(-c3noc([C@@H]4C[C@H]5C[C@H]5[NH2+]4)n3)nc12 ZINC001247621703 1377062686 /nfs/dbraw/zinc/06/26/86/1377062686.db2.gz YFWBVROTVYQWQC-YUELXQCFSA-N 1 0 329.363 3.256 20 5 EGBDRO Cc1oc(C(C)C)cc1C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001146339085 1378820634 /nfs/dbraw/zinc/82/06/34/1378820634.db2.gz TUKFITFZJJKXPE-UHFFFAOYSA-N 1 0 345.399 3.139 20 5 EGBDRO CCc1cc(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])sc1C ZINC001150388194 1379544460 /nfs/dbraw/zinc/54/44/60/1379544460.db2.gz ZQGGFGSEMHIFGL-UHFFFAOYSA-N 1 0 347.440 3.047 20 5 EGBDRO [NH3+]CCN(c1cccc2ccccc21)c1ncc([N+](=O)[O-])cc1F ZINC001154682794 1380331047 /nfs/dbraw/zinc/33/10/47/1380331047.db2.gz AOLUCAKLKGNGIZ-UHFFFAOYSA-N 1 0 326.331 3.379 20 5 EGBDRO Cc1nc(Cl)nc(-n2ccc3cc([C@H](C)[NH3+])ccc32)c1[N+](=O)[O-] ZINC001155340223 1380438944 /nfs/dbraw/zinc/43/89/44/1380438944.db2.gz MNMLFEZWYIHLEN-QMMMGPOBSA-N 1 0 331.763 3.310 20 5 EGBDRO O=[N+]([O-])c1cc2nc(Cl)ccc2cc1N[C@H]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC001155593510 1380471381 /nfs/dbraw/zinc/47/13/81/1380471381.db2.gz ZWGHSJURWVGVTN-WOPDTQHZSA-N 1 0 332.791 3.206 20 5 EGBDRO CC(C)(C)CCCC(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001155702163 1380484529 /nfs/dbraw/zinc/48/45/29/1380484529.db2.gz QIQXNORTIYEXGW-UHFFFAOYSA-N 1 0 335.448 3.407 20 5 EGBDRO CN(c1ccc([N+](=O)[O-])c(-c2ccccc2)n1)[C@]1(C)CCC[NH2+]C1 ZINC001156976332 1380740860 /nfs/dbraw/zinc/74/08/60/1380740860.db2.gz DKPONQFBVHGOGC-GOSISDBHSA-N 1 0 326.400 3.235 20 5 EGBDRO Cc1nc(-n2nc(C3CC[NH2+]CC3)c3ccccc32)ccc1[N+](=O)[O-] ZINC001157376056 1380856607 /nfs/dbraw/zinc/85/66/07/1380856607.db2.gz JLVCGFIXUNDOPU-UHFFFAOYSA-N 1 0 337.383 3.104 20 5 EGBDRO Cc1cc(Cl)nc(N2CCC(C)([NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC001157657886 1380991550 /nfs/dbraw/zinc/99/15/50/1380991550.db2.gz OYGPOSCMMSPSFB-UHFFFAOYSA-N 1 0 338.839 3.406 20 5 EGBDRO [NH3+]CC[C@@H]1CN(c2cnc3ccc([N+](=O)[O-])cc3n2)c2ccccc21 ZINC001157739128 1381018487 /nfs/dbraw/zinc/01/84/87/1381018487.db2.gz HFIFWAMGWLKLAT-GFCCVEGCSA-N 1 0 335.367 3.122 20 5 EGBDRO CC(C)(C)CN(c1cc([N+](=O)[O-])c2cc[nH]c2n1)C1CC[NH2+]CC1 ZINC001157891911 1381061912 /nfs/dbraw/zinc/06/19/12/1381061912.db2.gz XQDMRLLQGRZVDY-UHFFFAOYSA-N 1 0 331.420 3.076 20 5 EGBDRO C[N@@H+]1CCN(c2ncc([N+](=O)[O-])c3ccccc32)C2(CCCC2)C1 ZINC001158408885 1381234670 /nfs/dbraw/zinc/23/46/70/1381234670.db2.gz PQVMVQMWEKZWDD-UHFFFAOYSA-N 1 0 326.400 3.208 20 5 EGBDRO [NH3+]Cc1ccc2c(n1)N(c1ncc([N+](=O)[O-])c3ccccc31)CCC2 ZINC001158649046 1381335890 /nfs/dbraw/zinc/33/58/90/1381335890.db2.gz IUBHYUCRVMRCBU-UHFFFAOYSA-N 1 0 335.367 3.081 20 5 EGBDRO C[NH+](C)CCC(C)(C)NC(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1 ZINC001158758200 1381385386 /nfs/dbraw/zinc/38/53/86/1381385386.db2.gz UWLPRPLXBDBBQR-UHFFFAOYSA-N 1 0 336.770 3.012 20 5 EGBDRO O=[N+]([O-])c1cccc(Nc2ccc(N3CC[NH2+]CC3)c(F)c2)c1F ZINC001159537894 1381820649 /nfs/dbraw/zinc/82/06/49/1381820649.db2.gz WHZBPMWOIKHUCR-UHFFFAOYSA-N 1 0 334.326 3.026 20 5 EGBDRO COc1cc(-n2cc(C[C@@H](C)[NH3+])c3ccc(C)cc32)ncc1[N+](=O)[O-] ZINC001160011559 1381966737 /nfs/dbraw/zinc/96/67/37/1381966737.db2.gz NWUNJROYORHFGD-GFCCVEGCSA-N 1 0 340.383 3.140 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1Nc1c(F)cccc1N1CC[C@@H]([NH3+])C1 ZINC001160070839 1381989081 /nfs/dbraw/zinc/98/90/81/1381989081.db2.gz MEFYXGOBVFZQSE-LLVKDONJSA-N 1 0 346.362 3.024 20 5 EGBDRO Cc1ccc(Nc2cccc(F)c2N2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC001160113675 1382000566 /nfs/dbraw/zinc/00/05/66/1382000566.db2.gz BDDVGXVSFGTDRK-UHFFFAOYSA-N 1 0 330.363 3.196 20 5 EGBDRO Cc1ccc(Nc2cccc(F)c2N2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC001160115546 1382001538 /nfs/dbraw/zinc/00/15/38/1382001538.db2.gz DMKCNRINDQPVAZ-UHFFFAOYSA-N 1 0 330.363 3.196 20 5 EGBDRO COc1ccc(Nc2ccccc2O[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC001160232886 1382042189 /nfs/dbraw/zinc/04/21/89/1382042189.db2.gz IQGBNPGHZGDECF-CQSZACIVSA-N 1 0 343.383 3.478 20 5 EGBDRO O=[N+]([O-])c1cccc2nc(N[C@H]3CC[NH2+]C[C@H]3C(F)(F)F)ccc21 ZINC001160736371 1382181480 /nfs/dbraw/zinc/18/14/80/1382181480.db2.gz CJJBFTNOBBCURW-PWSUYJOCSA-N 1 0 340.305 3.095 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1ccc(N[C@H]2CC[N@@H+](C3CCC3)C2)nn1 ZINC001161177101 1382325289 /nfs/dbraw/zinc/32/52/89/1382325289.db2.gz HTKQENBFCMOANM-ZDUSSCGKSA-N 1 0 339.399 3.091 20 5 EGBDRO CN1CC[NH+](CCCNc2nc3ccccc3c3ccccc32)CC1 ZINC001161712094 1382487705 /nfs/dbraw/zinc/48/77/05/1382487705.db2.gz YTHZUVVEKIKKTH-UHFFFAOYSA-N 1 0 334.467 3.437 20 5 EGBDRO O=[N+]([O-])c1cnc(N[C@@H](c2cccc(F)c2)C2CC[NH2+]CC2)c(F)c1 ZINC001161821711 1382520424 /nfs/dbraw/zinc/52/04/24/1382520424.db2.gz CPQBTHUHADUUKG-MRXNPFEDSA-N 1 0 348.353 3.421 20 5 EGBDRO COc1ccc([N+](=O)[O-])nc1N(CC[NH3+])c1cccc2ccccc21 ZINC001162005535 1382596489 /nfs/dbraw/zinc/59/64/89/1382596489.db2.gz RIIOKKQKEAUWCP-UHFFFAOYSA-N 1 0 338.367 3.248 20 5 EGBDRO O=[N+]([O-])c1ccc2ccc(NC[C@]3(CC4CC4)CCC[NH2+]3)nc2c1 ZINC001162351061 1382738377 /nfs/dbraw/zinc/73/83/77/1382738377.db2.gz RZFXRKABHOQGKI-GOSISDBHSA-N 1 0 326.400 3.477 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(-n2cncc2-c2cccc(C[NH3+])c2)nc1Cl ZINC001162562573 1382790876 /nfs/dbraw/zinc/79/08/76/1382790876.db2.gz AWDVEKJWXIUJKR-UHFFFAOYSA-N 1 0 343.774 3.263 20 5 EGBDRO [NH3+]Cc1cccc(-c2cncn2-c2nc3ccccc3cc2[N+](=O)[O-])c1 ZINC001162565796 1382792792 /nfs/dbraw/zinc/79/27/92/1382792792.db2.gz WDUXSZLURGDQIM-UHFFFAOYSA-N 1 0 345.362 3.454 20 5 EGBDRO C[NH+](C)CCOc1cc(NC[C@@H]2CCC(F)(F)C2)ccc1[N+](=O)[O-] ZINC001162650442 1382821198 /nfs/dbraw/zinc/82/11/98/1382821198.db2.gz RFCAQXXMNLZHIY-GFCCVEGCSA-N 1 0 343.374 3.383 20 5 EGBDRO Cc1ccc2c(c1)[C@H](Nc1ccc([N+](=O)[O-])cn1)CC21CC[NH2+]CC1 ZINC001163027570 1382950878 /nfs/dbraw/zinc/95/08/78/1382950878.db2.gz PCYZOADUUWLZOK-QGZVFWFLSA-N 1 0 338.411 3.476 20 5 EGBDRO O=[N+]([O-])c1cc(NC[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)cc2ccccc21 ZINC001163290245 1383013480 /nfs/dbraw/zinc/01/34/80/1383013480.db2.gz YKAHUWDFOHZFPO-KUHUBIRLSA-N 1 0 341.411 3.319 20 5 EGBDRO C[NH+](C)CC1CCC(Nc2cnc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC001163299433 1383015753 /nfs/dbraw/zinc/01/57/53/1383015753.db2.gz WYLUDDBOVVLRCX-UHFFFAOYSA-N 1 0 329.404 3.070 20 5 EGBDRO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1N(C)c1cc([N+](=O)[O-])ccn1 ZINC001165181513 1383243274 /nfs/dbraw/zinc/24/32/74/1383243274.db2.gz IUJFOWKOWQWVOT-QAPCUYQASA-N 1 0 340.427 3.337 20 5 EGBDRO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1N(C)c1cccc([N+](=O)[O-])n1 ZINC001165184592 1383243876 /nfs/dbraw/zinc/24/38/76/1383243876.db2.gz XJQXWVUPGXHXEV-DOTOQJQBSA-N 1 0 340.427 3.337 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)c(Cl)nc1N1CCC2(CCCC[NH2+]2)CC1 ZINC001165247484 1383257794 /nfs/dbraw/zinc/25/77/94/1383257794.db2.gz ZGQRCJHMITXXBP-UHFFFAOYSA-N 1 0 345.230 3.409 20 5 EGBDRO O=[N+]([O-])c1ccc2nc(Cl)cc(N3CCC(C4C[NH2+]C4)CC3)c2c1 ZINC001165410122 1383288872 /nfs/dbraw/zinc/28/88/72/1383288872.db2.gz WVNANXRAKMVQIL-UHFFFAOYSA-N 1 0 346.818 3.232 20 5 EGBDRO CC1(CC(=O)NCCC2(C[NH2+]Cc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001166218318 1383403666 /nfs/dbraw/zinc/40/36/66/1383403666.db2.gz UPGGQZIUJSVSRG-UHFFFAOYSA-N 1 0 345.443 3.161 20 5 EGBDRO [NH3+]Cc1cnc2c(ccn2-c2ccc(C(F)(F)F)c([N+](=O)[O-])c2)c1 ZINC001167311355 1383592987 /nfs/dbraw/zinc/59/29/87/1383592987.db2.gz JCHRLDFSDUAKIU-UHFFFAOYSA-N 1 0 336.273 3.411 20 5 EGBDRO CC1(C)CC([NH3+])CC(C)(C)N1c1ncnc2sc([N+](=O)[O-])cc21 ZINC001167624186 1383691345 /nfs/dbraw/zinc/69/13/45/1383691345.db2.gz APONDQCZBUMAJV-UHFFFAOYSA-N 1 0 335.433 3.084 20 5 EGBDRO [NH3+]Cc1nn(-c2cc(Cl)ccc2/C=C/[N+](=O)[O-])c2ccccc12 ZINC001167697873 1383714522 /nfs/dbraw/zinc/71/45/22/1383714522.db2.gz GNQXARKRKDUQBL-BQYQJAHWSA-N 1 0 328.759 3.385 20 5 EGBDRO C[NH2+]CCNc1ccc2ccc3ccc(Br)nc3c2n1 ZINC001167725578 1383722742 /nfs/dbraw/zinc/72/27/42/1383722742.db2.gz FXAZKGJGHMXQNK-UHFFFAOYSA-N 1 0 331.217 3.177 20 5 EGBDRO C[C@@H]1CCCC[N@@H+]1CCCNc1cc2c(c([N+](=O)[O-])c1)NN(C)C2 ZINC001167755041 1383732501 /nfs/dbraw/zinc/73/25/01/1383732501.db2.gz ZETWLMIREAWSPW-CYBMUJFWSA-N 1 0 333.436 3.044 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(Br)c2F)C1 ZINC001168958954 1384070360 /nfs/dbraw/zinc/07/03/60/1384070360.db2.gz RJJIJFBWIVEYEE-MWLCHTKSSA-N 1 0 331.185 3.123 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CCCc2ccc(Br)cc2)C1 ZINC001168956276 1384070614 /nfs/dbraw/zinc/07/06/14/1384070614.db2.gz DFVNSELOOYKWPO-ZFWWWQNUSA-N 1 0 341.249 3.417 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2ncc(C(F)(F)F)cc2Cl)C1 ZINC001168968379 1384073621 /nfs/dbraw/zinc/07/36/21/1384073621.db2.gz YILJRGVPBSEADO-WCBMZHEXSA-N 1 0 337.729 3.289 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CCc2ccc(OC(F)(F)F)cc2)C1 ZINC001168978125 1384076547 /nfs/dbraw/zinc/07/65/47/1384076547.db2.gz OOJXICNNVZZYNA-QWHCGFSZSA-N 1 0 332.322 3.163 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCC(O)(c3ccc(Cl)cc3)CC2)C1 ZINC001169007389 1384085942 /nfs/dbraw/zinc/08/59/42/1384085942.db2.gz NCPOLBPRYFNKKB-BBRMVZONSA-N 1 0 338.835 3.069 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2CCc3cccc(Br)c3C2)C1 ZINC001169011345 1384088535 /nfs/dbraw/zinc/08/85/35/1384088535.db2.gz JZHDSXHYFDFCHV-WCQYABFASA-N 1 0 339.233 3.253 20 5 EGBDRO C[N@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C1CCN(Cc2ccccc2)CC1 ZINC001169010030 1384088758 /nfs/dbraw/zinc/08/87/58/1384088758.db2.gz AIISPEMYWOAUOT-PKOBYXMFSA-N 1 0 331.460 3.028 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCC3(CCc4ccccc4O3)CC2)C1 ZINC001169038820 1384098190 /nfs/dbraw/zinc/09/81/90/1384098190.db2.gz KQGIRJQSIPLTQK-RDJZCZTQSA-N 1 0 330.428 3.292 20 5 EGBDRO c1ccc2c(c1)c1ccccc1c1nc(NC[C@H]3COCC[NH2+]3)cnc21 ZINC001170036200 1384222369 /nfs/dbraw/zinc/22/23/69/1384222369.db2.gz VNCMQQBZXKLBSP-AWEZNQCLSA-N 1 0 344.418 3.337 20 5 EGBDRO CC[N+](C)(C)Cc1ccccc1N[C@H](C(=O)N1CCCC1)C(C)C ZINC001170158385 1384251015 /nfs/dbraw/zinc/25/10/15/1384251015.db2.gz VQMJZPZQVAJUCZ-IBGZPJMESA-N 1 0 332.512 3.342 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+]CCOc2ccccc2F)c([N+](=O)[O-])c1 ZINC001170297809 1384285400 /nfs/dbraw/zinc/28/54/00/1384285400.db2.gz SMMWZHSTYDMUFT-ZDUSSCGKSA-N 1 0 348.374 3.342 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+][C@@H]2CCc3cccnc32)c([N+](=O)[O-])c1 ZINC001170305457 1384286977 /nfs/dbraw/zinc/28/69/77/1384286977.db2.gz LGCDUDXKVLCXNT-BLLLJJGKSA-N 1 0 327.384 3.207 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+]C2(c3ccccn3)CC2)c([N+](=O)[O-])c1 ZINC001170307816 1384287367 /nfs/dbraw/zinc/28/73/67/1384287367.db2.gz IGGCXDVSELEOGR-ZDUSSCGKSA-N 1 0 327.384 3.208 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+]C2(c3cccnc3)CC2)c([N+](=O)[O-])c1 ZINC001170312174 1384288589 /nfs/dbraw/zinc/28/85/89/1384288589.db2.gz DHDZXETWODYWRU-ZDUSSCGKSA-N 1 0 327.384 3.208 20 5 EGBDRO COc1ccc(C[C@H](C)[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC001170327770 1384291925 /nfs/dbraw/zinc/29/19/25/1384291925.db2.gz HQVYQIHDIYEHLH-YEWWUXTCSA-N 1 0 334.416 3.035 20 5 EGBDRO COc1ccc(C[C@@H](C)[N@@H+]2CCC[C@](C)(CO)CC2)c([N+](=O)[O-])c1 ZINC001170335497 1384294515 /nfs/dbraw/zinc/29/45/15/1384294515.db2.gz ORKQHXVRSPUIGF-KDOFPFPSSA-N 1 0 336.432 3.019 20 5 EGBDRO COCC[C@H]1CCCC[N@@H+]1[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170345468 1384296145 /nfs/dbraw/zinc/29/61/45/1384296145.db2.gz LDVMSTBOYGFUIF-GOEBONIOSA-N 1 0 336.432 3.425 20 5 EGBDRO O=C(C[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1ccccc1F ZINC001172901224 1384874172 /nfs/dbraw/zinc/87/41/72/1384874172.db2.gz LJHIAEIGMGWBJA-HNNXBMFYSA-N 1 0 342.370 3.454 20 5 EGBDRO CCOc1cccc(C[NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)n1 ZINC001172903849 1384874772 /nfs/dbraw/zinc/87/47/72/1384874772.db2.gz JYFSDFLEWDZPEX-MRXNPFEDSA-N 1 0 341.411 3.426 20 5 EGBDRO COc1ccc(C[NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)cc1O ZINC001172903755 1384875147 /nfs/dbraw/zinc/87/51/47/1384875147.db2.gz HZUKHFPTRNJTPS-MRXNPFEDSA-N 1 0 342.395 3.346 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@H](CO)c1ccccc1F)CC2 ZINC001172905653 1384875485 /nfs/dbraw/zinc/87/54/85/1384875485.db2.gz TZUZDWNEMTXELB-HNAYVOBHSA-N 1 0 344.386 3.305 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@H]1CCCc3nccnc31)CC2 ZINC001172905148 1384875606 /nfs/dbraw/zinc/87/56/06/1384875606.db2.gz QREXYQCQVJOBFR-QAPCUYQASA-N 1 0 338.411 3.299 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]Cc1ncc(F)cc1F)CC2 ZINC001172908895 1384875831 /nfs/dbraw/zinc/87/58/31/1384875831.db2.gz BFKNPZCIPKJCTH-CQSZACIVSA-N 1 0 333.338 3.305 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CC[C@@H](N3CCCC3)C1)CC2 ZINC001172912604 1384876308 /nfs/dbraw/zinc/87/63/08/1384876308.db2.gz BXCGKHVQNHWOTP-IEBWSBKVSA-N 1 0 329.444 3.012 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH+]1CCC(N3CCC3)CC1)CC2 ZINC001172913528 1384877037 /nfs/dbraw/zinc/87/70/37/1384877037.db2.gz RLHDEADWLSKVLX-QGZVFWFLSA-N 1 0 329.444 3.012 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CC[C@@]3(C1)CCCOC3)CC2 ZINC001172920625 1384879030 /nfs/dbraw/zinc/87/90/30/1384879030.db2.gz LPOBTLHLPLMELM-IEBWSBKVSA-N 1 0 330.428 3.345 20 5 EGBDRO CC[C@H](C)[C@@H](C(=O)OC)[N@H+](C)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172921870 1384879967 /nfs/dbraw/zinc/87/99/67/1384879967.db2.gz VCUNOPCUHXRHME-XCRHUMRWSA-N 1 0 348.443 3.362 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@H](C)c2ccncc2)c1F ZINC001173175111 1384931507 /nfs/dbraw/zinc/93/15/07/1384931507.db2.gz KWMSGNVLOJFNNR-VXGBXAGGSA-N 1 0 333.363 3.419 20 5 EGBDRO CCCCC(=O)[C@H](C)[NH2+][C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173178129 1384931900 /nfs/dbraw/zinc/93/19/00/1384931900.db2.gz AHGFEKPCNKJLKL-NEPJUHHUSA-N 1 0 340.395 3.411 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@@H]2CCc3ncccc32)c1F ZINC001173184611 1384932626 /nfs/dbraw/zinc/93/26/26/1384932626.db2.gz RWWHLNLKDFEQDJ-IAQYHMDHSA-N 1 0 345.374 3.346 20 5 EGBDRO COCC1CC[NH+]([C@@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])CC1 ZINC001173186766 1384933108 /nfs/dbraw/zinc/93/31/08/1384933108.db2.gz UHNMEPGPHYJHAP-LBPRGKRZSA-N 1 0 340.395 3.032 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CCCOC(C)C)c1F ZINC001173188258 1384933325 /nfs/dbraw/zinc/93/33/25/1384933325.db2.gz JIZQVSUPJVQPBF-GFCCVEGCSA-N 1 0 328.384 3.078 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCCNC(=O)OC(C)(C)C ZINC001173209329 1384936371 /nfs/dbraw/zinc/93/63/71/1384936371.db2.gz BIYLXUHDSINCHJ-ZDUSSCGKSA-N 1 0 337.420 3.030 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc2c(c1)OCCO2 ZINC001173209473 1384936551 /nfs/dbraw/zinc/93/65/51/1384936551.db2.gz CEELWRLSVZDHGC-CYBMUJFWSA-N 1 0 328.368 3.087 20 5 EGBDRO COC(=O)c1ccccc1C[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173214790 1384937137 /nfs/dbraw/zinc/93/71/37/1384937137.db2.gz QEQWLOZZJSMBCR-ZDUSSCGKSA-N 1 0 328.368 3.102 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCc1nc2ccccc2n1C ZINC001173215408 1384937624 /nfs/dbraw/zinc/93/76/24/1384937624.db2.gz WJWLMVQTINWIPR-CQSZACIVSA-N 1 0 338.411 3.245 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CCN1Cc1ccccc1 ZINC001173217795 1384937707 /nfs/dbraw/zinc/93/77/07/1384937707.db2.gz GFGMLXUDCKSIGD-JXFKEZNVSA-N 1 0 339.439 3.390 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCN(CC2CCCC2)C1 ZINC001173221405 1384938224 /nfs/dbraw/zinc/93/82/24/1384938224.db2.gz MZVYFTMXDNLCQV-QAPCUYQASA-N 1 0 331.460 3.380 20 5 EGBDRO CCOC(=O)C[C@H]1CCC[N@@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173221475 1384938686 /nfs/dbraw/zinc/93/86/86/1384938686.db2.gz ITJNIFKOGSWHNH-GOEBONIOSA-N 1 0 334.416 3.191 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](C(F)(F)F)[C@H]1CO ZINC001173223108 1384939147 /nfs/dbraw/zinc/93/91/47/1384939147.db2.gz XVUBMVIIVFDXHM-NILFDRSVSA-N 1 0 346.349 3.161 20 5 EGBDRO Cc1nc([C@H]2CCC[N@@H+]([C@H](C)Cc3ccc([N+](=O)[O-])cc3)C2)no1 ZINC001173223131 1384939334 /nfs/dbraw/zinc/93/93/34/1384939334.db2.gz YJMYWYAANNVIQY-DOMZBBRYSA-N 1 0 330.388 3.097 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cnn(CC(F)(F)F)c1 ZINC001173226149 1384939515 /nfs/dbraw/zinc/93/95/15/1384939515.db2.gz VEPUZLNCGMOADG-LLVKDONJSA-N 1 0 342.321 3.074 20 5 EGBDRO CC(=O)N1CCCC[C@@]12CC[N@@H+]([C@@H](C)Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001173228122 1384939556 /nfs/dbraw/zinc/93/95/56/1384939556.db2.gz TYCSGHTWZYKIJC-KXBFYZLASA-N 1 0 345.443 3.003 20 5 EGBDRO Cc1nc(C2CC[NH+]([C@@H](C)Cc3ccc([N+](=O)[O-])cc3)CC2)no1 ZINC001173226576 1384939832 /nfs/dbraw/zinc/93/98/32/1384939832.db2.gz KMEZLLQYMWAEKN-LBPRGKRZSA-N 1 0 330.388 3.097 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[NH+](CC2CCCC2)CC1 ZINC001173228154 1384940219 /nfs/dbraw/zinc/94/02/19/1384940219.db2.gz UCXPGRHEJLPSPU-INIZCTEOSA-N 1 0 331.460 3.334 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCN(c2cccc(O)c2)CC1 ZINC001173230249 1384940713 /nfs/dbraw/zinc/94/07/13/1384940713.db2.gz DJBNBRJZUGAMTL-HNNXBMFYSA-N 1 0 341.411 3.054 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CC2(C1)CC(F)(F)CS2 ZINC001173233199 1384941637 /nfs/dbraw/zinc/94/16/37/1384941637.db2.gz JNJVHASYKCULQL-LLVKDONJSA-N 1 0 328.384 3.352 20 5 EGBDRO CC(F)(F)C(=O)NCCCCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001177734158 1386030468 /nfs/dbraw/zinc/03/04/68/1386030468.db2.gz JMOJAHXOVBUVGU-UHFFFAOYSA-N 1 0 343.374 3.016 20 5 EGBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC001320248019 1386562575 /nfs/dbraw/zinc/56/25/75/1386562575.db2.gz SMOABZQEWGJTFU-MRXNPFEDSA-N 1 0 347.459 3.106 20 5 EGBDRO Cc1c([C@@H](C)[NH2+]CCC(=O)N2CCC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC001320668754 1386685745 /nfs/dbraw/zinc/68/57/45/1386685745.db2.gz CUIRJZOXCPGDOM-UKRRQHHQSA-N 1 0 333.432 3.202 20 5 EGBDRO CC(C)([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC001321060244 1386797747 /nfs/dbraw/zinc/79/77/47/1386797747.db2.gz HUCCDPRWTGKZEI-MRXNPFEDSA-N 1 0 336.432 3.283 20 5 EGBDRO C[N@H+](CC(=O)Nc1cc2nc3ccccc3nc2cc1N)C1CCCC1 ZINC001180628861 1386851043 /nfs/dbraw/zinc/85/10/43/1386851043.db2.gz HHIVZEWHWOHLRA-UHFFFAOYSA-N 1 0 349.438 3.178 20 5 EGBDRO CS[C@H]1CC[C@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001321687819 1386957122 /nfs/dbraw/zinc/95/71/22/1386957122.db2.gz DTNDFVALPHLRQU-AAEUAGOBSA-N 1 0 325.390 3.219 20 5 EGBDRO CC(C)[N@@H+]1CC[C@H](C(=O)Nc2cc3cccnc3c3ncccc23)C1 ZINC001181985247 1387087358 /nfs/dbraw/zinc/08/73/58/1387087358.db2.gz XJFVKLHAYJUEGF-HNNXBMFYSA-N 1 0 334.423 3.452 20 5 EGBDRO C[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001336224902 1389040773 /nfs/dbraw/zinc/04/07/73/1389040773.db2.gz SNKUZUDCVRQMNL-JTQLQIEISA-N 1 0 346.214 3.116 20 5 EGBDRO CC(C)(C)[NH+]1CCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC001337593071 1389394097 /nfs/dbraw/zinc/39/40/97/1389394097.db2.gz DXNUNTPVTIGIEC-UHFFFAOYSA-N 1 0 340.811 3.196 20 5 EGBDRO O=[N+]([O-])c1cccc2c1ccnc2N1CCCN(c2cc[nH+]cc2)CC1 ZINC001333779358 1390400294 /nfs/dbraw/zinc/40/02/94/1390400294.db2.gz GDTMBRMBQOYRSX-UHFFFAOYSA-N 1 0 349.394 3.255 20 5 EGBDRO CC[N@H+](C)C[C@H]1CCN(c2cccc(C(F)(F)F)c2[N+](=O)[O-])C1 ZINC001333910214 1390435839 /nfs/dbraw/zinc/43/58/39/1390435839.db2.gz QTLYPPVDBAUKOL-LLVKDONJSA-N 1 0 331.338 3.392 20 5 EGBDRO C[C@@H]([NH2+]Cc1c(Br)cccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC001334056862 1390468997 /nfs/dbraw/zinc/46/89/97/1390468997.db2.gz KVFDOCAWOPAFDZ-MNOVXSKESA-N 1 0 343.221 3.262 20 5 EGBDRO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Br)[C@@H]1CCCOC1 ZINC001334772340 1390585488 /nfs/dbraw/zinc/58/54/88/1390585488.db2.gz NEGWDMRWZQLVGQ-GHMZBOCLSA-N 1 0 343.221 3.262 20 5 EGBDRO COc1cc(C[NH2+]C/C=C\C2CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC001343973038 1390747528 /nfs/dbraw/zinc/74/75/28/1390747528.db2.gz QMWUBWHKPLYUCQ-IHWYPQMZSA-N 1 0 342.342 3.303 20 5 EGBDRO Cc1cncc([N+](=O)[O-])c1NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC001344499561 1390795424 /nfs/dbraw/zinc/79/54/24/1390795424.db2.gz NQIMNSKRZLHJEA-CYBMUJFWSA-N 1 0 332.429 3.031 20 5 EGBDRO C[NH+](C)CC1(Nc2ncnc3c(Cl)cc([N+](=O)[O-])cc23)CCC1 ZINC001347239123 1391036543 /nfs/dbraw/zinc/03/65/43/1391036543.db2.gz UUYGKHFQHQLODG-UHFFFAOYSA-N 1 0 335.795 3.088 20 5 EGBDRO CCC(CC)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001752673640 1440199027 /nfs/dbraw/zinc/19/90/27/1440199027.db2.gz QBTVOHHZTJVAGQ-WKILWMFISA-N 1 0 333.432 3.158 20 5 EGBDRO C[N@H+](CCNC(=O)C1=CCCCCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001753047969 1440278480 /nfs/dbraw/zinc/27/84/80/1440278480.db2.gz WPFNVYHOPBUQLV-UHFFFAOYSA-N 1 0 331.416 3.033 20 5 EGBDRO CCCC(=O)N1CCC(CC[N@H+](C)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001753816489 1440494027 /nfs/dbraw/zinc/49/40/27/1440494027.db2.gz IFWSMNDIQFEWTL-UHFFFAOYSA-N 1 0 347.459 3.455 20 5 EGBDRO CCN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)CC1=CCCCC1 ZINC001754039320 1440534453 /nfs/dbraw/zinc/53/44/53/1440534453.db2.gz UDUHSJYRQCESHB-UHFFFAOYSA-N 1 0 345.443 3.423 20 5 EGBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2CCN(c3ccccc3F)C2)cs1 ZINC000368297313 168340403 /nfs/dbraw/zinc/34/04/03/168340403.db2.gz WJAQOGPRBZUCEK-LBPRGKRZSA-N 1 0 335.404 3.412 20 5 EGBDRO CC1CC[NH+](CCCNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000067509837 215155609 /nfs/dbraw/zinc/15/56/09/215155609.db2.gz FEYFJAFSRBNULE-UHFFFAOYSA-N 1 0 339.823 3.100 20 5 EGBDRO C[C@H]([NH2+]C[C@@H]1CN(c2ccccc2)C(=O)O1)c1cccc([N+](=O)[O-])c1 ZINC000180454697 233869311 /nfs/dbraw/zinc/86/93/11/233869311.db2.gz AYFDYONPOYWNLR-SUMWQHHRSA-N 1 0 341.367 3.271 20 5 EGBDRO C[C@H]([NH2+]C(C)(C)CNC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000069391269 215399387 /nfs/dbraw/zinc/39/93/87/215399387.db2.gz RAYGUTMVWXRIJD-AWEZNQCLSA-N 1 0 341.411 3.454 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)N([C@H](C)C2CC2)C2CC2)cc1[N+](=O)[O-] ZINC000181809391 234331937 /nfs/dbraw/zinc/33/19/37/234331937.db2.gz OOYLSBFRBBOLLM-ZIAGYGMSSA-N 1 0 345.443 3.343 20 5 EGBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+](C[C@H]2CCOC2)C2CC2)c1 ZINC000130059546 223117618 /nfs/dbraw/zinc/11/76/18/223117618.db2.gz VJCHRMUEHPNCNC-LLVKDONJSA-N 1 0 342.342 3.197 20 5 EGBDRO C[C@H]([NH2+]Cc1ccnc(N2CCCC2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000131483072 223238883 /nfs/dbraw/zinc/23/88/83/223238883.db2.gz DWBXMXBOUQNPGE-AWEZNQCLSA-N 1 0 326.400 3.441 20 5 EGBDRO C[C@H](O)[C@@](C)(C[NH2+]Cc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000191711948 239261587 /nfs/dbraw/zinc/26/15/87/239261587.db2.gz YPXCQMXIONFKPR-HNAYVOBHSA-N 1 0 328.412 3.314 20 5 EGBDRO Cc1nn(C)c(NC2CCC([NH+]3CCC(C)CC3)CC2)c1[N+](=O)[O-] ZINC000132212952 223310501 /nfs/dbraw/zinc/31/05/01/223310501.db2.gz MVMCYYDGMILXFG-UHFFFAOYSA-N 1 0 335.452 3.092 20 5 EGBDRO C[C@@H](CNc1cc(N)ccc1[N+](=O)[O-])[N@@H+]1CCc2sccc2C1 ZINC000193383443 240138433 /nfs/dbraw/zinc/13/84/33/240138433.db2.gz QUYAUPHHACYPFA-NSHDSACASA-N 1 0 332.429 3.097 20 5 EGBDRO C[C@H](c1ccc(F)c(F)c1)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369694045 242014259 /nfs/dbraw/zinc/01/42/59/242014259.db2.gz PJCQLLAOSJQZEB-LLVKDONJSA-N 1 0 336.342 3.468 20 5 EGBDRO CC(C)c1ccc([C@@H]([NH3+])CNC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000236720406 242333872 /nfs/dbraw/zinc/33/38/72/242333872.db2.gz IKHPWVSNJHBAAK-SFHVURJKSA-N 1 0 341.411 3.077 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](O)c1ccc(C)cc1 ZINC000236850969 242382794 /nfs/dbraw/zinc/38/27/94/242382794.db2.gz UHRRVFKKNWIBBV-KRWDZBQOSA-N 1 0 330.384 3.125 20 5 EGBDRO C[C@H](NC(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000246789753 243316711 /nfs/dbraw/zinc/31/67/11/243316711.db2.gz XPBFZXHHURJIQB-GDZNZVCISA-N 1 0 327.384 3.108 20 5 EGBDRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000016468861 211906757 /nfs/dbraw/zinc/90/67/57/211906757.db2.gz JPAJCIWHWDOFOO-SFHVURJKSA-N 1 0 341.411 3.408 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCC[C@H](c2ccnn2C)C1 ZINC000376079145 168864223 /nfs/dbraw/zinc/86/42/23/168864223.db2.gz HAEHBUJXDSQKMI-ZFWWWQNUSA-N 1 0 344.415 3.153 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)c1 ZINC000266018289 248034517 /nfs/dbraw/zinc/03/45/17/248034517.db2.gz BGTXOGKGUSGTRC-HNNXBMFYSA-N 1 0 333.432 3.145 20 5 EGBDRO CC(C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000266192725 248161616 /nfs/dbraw/zinc/16/16/16/248161616.db2.gz CBVVJMZPGUYZFD-UHFFFAOYSA-N 1 0 342.237 3.324 20 5 EGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)C[C@H](O)COCc1ccccc1 ZINC000266513233 248339695 /nfs/dbraw/zinc/33/96/95/248339695.db2.gz FNIOJOQYUJESCS-WBVHZDCISA-N 1 0 344.411 3.165 20 5 EGBDRO COc1ccc(OCC[N@@H+]2CCC[C@H]2c2ccc[nH]2)c([N+](=O)[O-])c1 ZINC000266625932 248388537 /nfs/dbraw/zinc/38/85/37/248388537.db2.gz HEXCGFGBDHAVAH-HNNXBMFYSA-N 1 0 331.372 3.147 20 5 EGBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)c1 ZINC000377452459 169026394 /nfs/dbraw/zinc/02/63/94/169026394.db2.gz ZBDQRGPKXVMDEO-ZDUSSCGKSA-N 1 0 349.456 3.017 20 5 EGBDRO CC[NH+](CC)CCS[C@@H](C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000174021032 284655414 /nfs/dbraw/zinc/65/54/14/284655414.db2.gz WKVXENCXAVZTQU-NSHDSACASA-N 1 0 343.424 3.136 20 5 EGBDRO CC(C)(C)[NH+]1CCC(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000267404107 251026747 /nfs/dbraw/zinc/02/67/47/251026747.db2.gz XZTSMOQOQGNCTP-UHFFFAOYSA-N 1 0 339.823 3.241 20 5 EGBDRO COc1cc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc(OC)c1O ZINC000268876255 252324891 /nfs/dbraw/zinc/32/48/91/252324891.db2.gz VFLRYWKDMFUTSV-LBPRGKRZSA-N 1 0 346.383 3.477 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000181695509 533222202 /nfs/dbraw/zinc/22/22/02/533222202.db2.gz NPKBURFQORNZGI-XIRDDKMYSA-N 1 0 332.400 3.041 20 5 EGBDRO CC[C@@H]([NH2+]CC(=O)N(C)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000119106452 221245414 /nfs/dbraw/zinc/24/54/14/221245414.db2.gz GZYGCFROEBGIBQ-GOSISDBHSA-N 1 0 341.411 3.294 20 5 EGBDRO Cc1nc(NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)ccc1[N+](=O)[O-] ZINC000119269771 221281238 /nfs/dbraw/zinc/28/12/38/221281238.db2.gz DDHIBLWBZQXURO-AWEZNQCLSA-N 1 0 341.415 3.331 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000119667650 221372790 /nfs/dbraw/zinc/37/27/90/221372790.db2.gz UNPDNMKLWJTGII-OAHLLOKOSA-N 1 0 346.431 3.243 20 5 EGBDRO CC1(C)CCCC[C@@H]1[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000119757771 221394077 /nfs/dbraw/zinc/39/40/77/221394077.db2.gz YDRCEBXBCLMVQL-INIZCTEOSA-N 1 0 331.416 3.042 20 5 EGBDRO COc1cccc(NC(=O)C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000181832102 533603393 /nfs/dbraw/zinc/60/33/93/533603393.db2.gz UGJDGGUMUFTMCJ-ZDUSSCGKSA-N 1 0 343.383 3.201 20 5 EGBDRO CC(C)[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(C)CC1 ZINC000041945491 140817386 /nfs/dbraw/zinc/81/73/86/140817386.db2.gz ZNATWHFRHDCDLM-GOSISDBHSA-N 1 0 347.459 3.010 20 5 EGBDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000342967239 141153763 /nfs/dbraw/zinc/15/37/63/141153763.db2.gz ULDAABYKROSDHI-MRXNPFEDSA-N 1 0 348.447 3.049 20 5 EGBDRO C[C@@H]1C[NH+](CCCNc2ccc([N+](=O)[O-])c3ncccc23)C[C@@H](C)O1 ZINC000344483776 141163231 /nfs/dbraw/zinc/16/32/31/141163231.db2.gz NBINHQZYACYWAY-ZIAGYGMSSA-N 1 0 344.415 3.054 20 5 EGBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCCC2(CCC2)C1 ZINC000348168120 141242682 /nfs/dbraw/zinc/24/26/82/141242682.db2.gz LXYZQOKHTUQHEO-UHFFFAOYSA-N 1 0 345.399 3.159 20 5 EGBDRO C[C@H]1CC[N@H+](C)CCN1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000353457577 141300483 /nfs/dbraw/zinc/30/04/83/141300483.db2.gz ZSCSGCONPYIZSZ-ZDUSSCGKSA-N 1 0 346.456 3.244 20 5 EGBDRO CC(C)[C@H](C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000171449601 144003594 /nfs/dbraw/zinc/00/35/94/144003594.db2.gz IQRBUZGMPZPQDK-WMLDXEAASA-N 1 0 333.432 3.283 20 5 EGBDRO C[C@H]([NH2+]CCNC(=O)c1ccccc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000178643975 144073739 /nfs/dbraw/zinc/07/37/39/144073739.db2.gz LHLGODIBIXRDIU-LBPRGKRZSA-N 1 0 347.802 3.329 20 5 EGBDRO C[C@H]([NH2+]CC(C)(C)N1C[C@H](C)O[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000178641027 144073873 /nfs/dbraw/zinc/07/38/73/144073873.db2.gz GWWPHUHAEWKJLV-KKUMJFAQSA-N 1 0 335.448 3.133 20 5 EGBDRO C[C@@H]1C[C@@H](NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC[N@@H+]1C ZINC000344691233 144210398 /nfs/dbraw/zinc/21/03/98/144210398.db2.gz YFUCSSHKSGZAQT-HIFRSBDPSA-N 1 0 329.400 3.427 20 5 EGBDRO CN(CCOc1ccccc1C(C)(C)C)Cc1c([N+](=O)[O-])ncn1C ZINC000361599727 144335178 /nfs/dbraw/zinc/33/51/78/144335178.db2.gz DRYYYWJHJHPFDY-UHFFFAOYSA-N 1 0 346.431 3.137 20 5 EGBDRO CC[C@H]([NH2+]CCCN1C[C@@H](C)O[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000119926423 152239152 /nfs/dbraw/zinc/23/91/52/152239152.db2.gz ZOIYPBFYGVFJHD-DAYGRLMNSA-N 1 0 335.448 3.135 20 5 EGBDRO CC[C@@H](COC)[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000120206354 152260630 /nfs/dbraw/zinc/26/06/30/152260630.db2.gz RJNCGNVTELGOMH-LBPRGKRZSA-N 1 0 334.372 3.378 20 5 EGBDRO CCn1nc(C)c([N+](=O)[O-])c1N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000192771644 153258246 /nfs/dbraw/zinc/25/82/46/153258246.db2.gz GEGJMOWCFNIPRE-BBRMVZONSA-N 1 0 343.431 3.052 20 5 EGBDRO CC(C)(C)[C@@H]1CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000303671400 154052130 /nfs/dbraw/zinc/05/21/30/154052130.db2.gz PGUYUNMRTNENOL-OAHLLOKOSA-N 1 0 333.432 3.342 20 5 EGBDRO C[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C[C@@H]1CCCC[C@H]1O ZINC000305786794 154119644 /nfs/dbraw/zinc/11/96/44/154119644.db2.gz BEWJPAOVYHBXGG-WMLDXEAASA-N 1 0 345.399 3.233 20 5 EGBDRO COc1ccc(-c2ccc(C[N@@H+]3CC[C@@H]([C@H](C)O)C3)o2)c([N+](=O)[O-])c1 ZINC000305840312 154134547 /nfs/dbraw/zinc/13/45/47/154134547.db2.gz GXZODDNJABITKX-QWHCGFSZSA-N 1 0 346.383 3.066 20 5 EGBDRO COc1cccc([C@H](CNc2cc(OC)ccc2[N+](=O)[O-])[NH+](C)C)c1 ZINC000327217497 154186650 /nfs/dbraw/zinc/18/66/50/154186650.db2.gz TVDGHKAYXPAAQB-SFHVURJKSA-N 1 0 345.399 3.327 20 5 EGBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1NCC[NH+]1CCCCCC1 ZINC000336872141 154223813 /nfs/dbraw/zinc/22/38/13/154223813.db2.gz KONPLYYZUWBSMQ-UHFFFAOYSA-N 1 0 332.326 3.297 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000337385547 154324093 /nfs/dbraw/zinc/32/40/93/154324093.db2.gz WYSBWADOVCXLRP-TZMCWYRMSA-N 1 0 334.420 3.145 20 5 EGBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NCCCC[N@@H+]1CCCC[C@H]1C ZINC000339954872 155049068 /nfs/dbraw/zinc/04/90/68/155049068.db2.gz QXFYSOGBDQXEOD-CQSZACIVSA-N 1 0 348.447 3.021 20 5 EGBDRO CCOCC(C)(C)[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000341006234 155122457 /nfs/dbraw/zinc/12/24/57/155122457.db2.gz YALXHZIYCANUPF-UHFFFAOYSA-N 1 0 331.210 3.262 20 5 EGBDRO O=[N+]([O-])c1ccc(NCCC[NH+]2CCCC2)c(Br)c1 ZINC000062075787 161551493 /nfs/dbraw/zinc/55/14/93/161551493.db2.gz SNWNDALWHWJBOX-UHFFFAOYSA-N 1 0 328.210 3.255 20 5 EGBDRO O=C(NC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1)C1CCCCC1 ZINC000065963970 161574707 /nfs/dbraw/zinc/57/47/07/161574707.db2.gz HEXMXKIQNFQLDB-UHFFFAOYSA-N 1 0 345.443 3.256 20 5 EGBDRO CC[C@@H]1CC[N@H+](Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C1 ZINC000125636614 162281383 /nfs/dbraw/zinc/28/13/83/162281383.db2.gz AIOYTIMLTDXGEN-SNVBAGLBSA-N 1 0 330.331 3.437 20 5 EGBDRO CN(c1ccccc1)c1ccc(C[N@@H+]2CC[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000127208753 162325291 /nfs/dbraw/zinc/32/52/91/162325291.db2.gz MROHZWHNPMNRSC-INIZCTEOSA-N 1 0 341.411 3.177 20 5 EGBDRO C[C@@H](O)C[N@H+](C)Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000130637854 162373988 /nfs/dbraw/zinc/37/39/88/162373988.db2.gz VMSZIEKGLDGBSI-GFCCVEGCSA-N 1 0 334.347 3.339 20 5 EGBDRO C[C@H](CN(C)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1nccs1 ZINC000248462499 163008092 /nfs/dbraw/zinc/00/80/92/163008092.db2.gz PWYPYCMUNICLJJ-VXGBXAGGSA-N 1 0 348.428 3.114 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CCCCC3CCOCC3)C2)nc1 ZINC000337191621 163157880 /nfs/dbraw/zinc/15/78/80/163157880.db2.gz UEIIMAJEFJRJIY-INIZCTEOSA-N 1 0 348.447 3.073 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C)c1ccncc1F ZINC000338345083 163218460 /nfs/dbraw/zinc/21/84/60/163218460.db2.gz QWEWNOGUAPGEGT-LBPRGKRZSA-N 1 0 346.362 3.117 20 5 EGBDRO CCC[NH+](CCC)CCCC(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000340348141 163555641 /nfs/dbraw/zinc/55/56/41/163555641.db2.gz AYFSCWZRYFIADZ-UHFFFAOYSA-N 1 0 347.419 3.312 20 5 EGBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000340902064 163690512 /nfs/dbraw/zinc/69/05/12/163690512.db2.gz LSCIRZCIZJIWOE-SWLSCSKDSA-N 1 0 331.420 3.223 20 5 EGBDRO C[C@@H]1C[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC(C)(C)C1 ZINC000344048556 164090239 /nfs/dbraw/zinc/09/02/39/164090239.db2.gz YZZIYPSTXSMCMX-BBRMVZONSA-N 1 0 331.416 3.068 20 5 EGBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 ZINC000344090344 164100647 /nfs/dbraw/zinc/10/06/47/164100647.db2.gz MHFKOQNBPVMDQW-ZDUSSCGKSA-N 1 0 328.368 3.259 20 5 EGBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000344203271 164125880 /nfs/dbraw/zinc/12/58/80/164125880.db2.gz CZMQZPPEKABCDL-IOASZLSFSA-N 1 0 349.406 3.211 20 5 EGBDRO C[C@@H]1OCC[C@]1(C)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000344373815 164166495 /nfs/dbraw/zinc/16/64/95/164166495.db2.gz MFFSMQIQRYWYIA-ZBEGNZNMSA-N 1 0 333.413 3.375 20 5 EGBDRO C[NH+](C)Cc1cccc(C(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])c1 ZINC000345805243 164269009 /nfs/dbraw/zinc/26/90/09/164269009.db2.gz KZNNWHRKJVSJDY-UHFFFAOYSA-N 1 0 341.411 3.322 20 5 EGBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCc2ccccc2C1 ZINC000346177720 164357106 /nfs/dbraw/zinc/35/71/06/164357106.db2.gz ACUMRQUNXNMGCI-AWEZNQCLSA-N 1 0 339.395 3.370 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3C[C@@H]4CC[C@@H](O)[C@H]4C3)o2)c1 ZINC000346326404 164369008 /nfs/dbraw/zinc/36/90/08/164369008.db2.gz HTOCXJUSVQAZMU-RRQGHBQHSA-N 1 0 328.368 3.058 20 5 EGBDRO Cc1cc(C(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000347314242 164478523 /nfs/dbraw/zinc/47/85/23/164478523.db2.gz IQWHPHVAADXCOS-FZKQIMNGSA-N 1 0 333.432 3.144 20 5 EGBDRO CC(=O)Nc1ccc([C@@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000359231916 167102818 /nfs/dbraw/zinc/10/28/18/167102818.db2.gz QTVYUJCNPDVCAI-CYBMUJFWSA-N 1 0 327.384 3.447 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCN(c3ccccc3F)C2)cc1 ZINC000366018912 168072593 /nfs/dbraw/zinc/07/25/93/168072593.db2.gz WPDOSXFAFOEHQR-HNNXBMFYSA-N 1 0 329.375 3.350 20 5 EGBDRO CC(=O)c1cc(N2CCC[C@@H]([NH+]3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000367339946 168210358 /nfs/dbraw/zinc/21/03/58/168210358.db2.gz RFUQELJBEVGOKD-OAHLLOKOSA-N 1 0 331.416 3.252 20 5 EGBDRO C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000123147669 222224036 /nfs/dbraw/zinc/22/40/36/222224036.db2.gz YHLUMNSXGMUCEG-ZDUSSCGKSA-N 1 0 345.374 3.283 20 5 EGBDRO COc1ccc(C[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])cc1O ZINC000178411929 533685249 /nfs/dbraw/zinc/68/52/49/533685249.db2.gz WDFGIIQSZTZARA-ZDUSSCGKSA-N 1 0 330.384 3.420 20 5 EGBDRO CC(C)[C@@H]([NH3+])CNC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000157076485 264835182 /nfs/dbraw/zinc/83/51/82/264835182.db2.gz VNQCNQWFBXRYJV-INIZCTEOSA-N 1 0 343.383 3.100 20 5 EGBDRO CCC1(CC)[C@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1OC ZINC000191375123 265902063 /nfs/dbraw/zinc/90/20/63/265902063.db2.gz XZLNVJMKRFNCMI-CVEARBPZSA-N 1 0 349.431 3.107 20 5 EGBDRO Cc1ccccc1N1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000195586632 266188582 /nfs/dbraw/zinc/18/85/82/266188582.db2.gz RSWPIVUKLHJFFQ-UHFFFAOYSA-N 1 0 341.411 3.104 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C2(c3nccs3)CCCC2)c1 ZINC000269649207 266334586 /nfs/dbraw/zinc/33/45/86/266334586.db2.gz LXNTZRDSLIVVDR-CQSZACIVSA-N 1 0 333.413 3.144 20 5 EGBDRO C[C@@H]1C[C@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCO1 ZINC000271321050 266640557 /nfs/dbraw/zinc/64/05/57/266640557.db2.gz YFSPLFPFVGPUST-DGCLKSJQSA-N 1 0 333.413 3.375 20 5 EGBDRO CC(C)=CCC[C@H](C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000273380082 267030096 /nfs/dbraw/zinc/03/00/96/267030096.db2.gz CAKPQUVUHXAEPN-AWEZNQCLSA-N 1 0 340.445 3.093 20 5 EGBDRO CC[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccc(Cl)s1 ZINC000273559793 267058840 /nfs/dbraw/zinc/05/88/40/267058840.db2.gz ZIJJFOVSAABAFB-NSHDSACASA-N 1 0 341.820 3.212 20 5 EGBDRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNc1ncc([N+](=O)[O-])cn1 ZINC000273621538 267069680 /nfs/dbraw/zinc/06/96/80/267069680.db2.gz ORQBKBMWHXZTEN-AWEZNQCLSA-N 1 0 341.415 3.371 20 5 EGBDRO Cc1cccc(C(=O)Nc2ccccc2CC[NH+](C)C)c1[N+](=O)[O-] ZINC000275580516 267385673 /nfs/dbraw/zinc/38/56/73/267385673.db2.gz DHPHUMKVPBMVEF-UHFFFAOYSA-N 1 0 327.384 3.260 20 5 EGBDRO CCN(CCC[NH+]1CCCC1)C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000276554970 267571629 /nfs/dbraw/zinc/57/16/29/267571629.db2.gz KVJGOFZREKRINB-UHFFFAOYSA-N 1 0 339.823 3.196 20 5 EGBDRO Cc1cnc(C2CC[NH+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC2)s1 ZINC000277368462 267773051 /nfs/dbraw/zinc/77/30/51/267773051.db2.gz ITFFQVRCJZNHJV-MRXNPFEDSA-N 1 0 347.440 3.273 20 5 EGBDRO C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000277637615 267834556 /nfs/dbraw/zinc/83/45/56/267834556.db2.gz CRJOBADYTSTUNX-XJKSGUPXSA-N 1 0 349.431 3.330 20 5 EGBDRO CC(C)c1ccc([C@@H]([NH3+])CNC(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000151933801 273563410 /nfs/dbraw/zinc/56/34/10/273563410.db2.gz HMQHROVGIZTEPY-INIZCTEOSA-N 1 0 327.384 3.148 20 5 EGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)Cn1cccn1 ZINC000358001989 273748229 /nfs/dbraw/zinc/74/82/29/273748229.db2.gz FXPQHVVNRXEEJG-ZIAGYGMSSA-N 1 0 334.445 3.340 20 5 EGBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000192555365 273782604 /nfs/dbraw/zinc/78/26/04/273782604.db2.gz BAMAHOXTPDAPKU-AWEZNQCLSA-N 1 0 347.419 3.270 20 5 EGBDRO Cc1cc(C(=O)NCC2([NH+](C)C)CCCCCC2)ccc1[N+](=O)[O-] ZINC000039515023 275123722 /nfs/dbraw/zinc/12/37/22/275123722.db2.gz CZVCDLQXZKGULB-UHFFFAOYSA-N 1 0 333.432 3.288 20 5 EGBDRO CCn1nc(C)c([N+](=O)[O-])c1N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000172824232 275197585 /nfs/dbraw/zinc/19/75/85/275197585.db2.gz PEAWPKMBSIJWLS-INIZCTEOSA-N 1 0 343.431 3.196 20 5 EGBDRO CC(C)[C@H](O)C1(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000271895417 275239354 /nfs/dbraw/zinc/23/93/54/275239354.db2.gz TVCSMYNPGJUQMR-WMZOPIPTSA-N 1 0 332.444 3.303 20 5 EGBDRO CC(C)(C)[C@H]1C[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CS1 ZINC000278714626 275268157 /nfs/dbraw/zinc/26/81/57/275268157.db2.gz OZUUYFMTYIMELX-IINYFYTJSA-N 1 0 334.445 3.481 20 5 EGBDRO CC1(C)C[C@@H]([NH2+]CCCNC(=O)C2CCC2)c2cc([N+](=O)[O-])ccc21 ZINC000279196392 275311675 /nfs/dbraw/zinc/31/16/75/275311675.db2.gz WYVVIRLFBCRPST-QGZVFWFLSA-N 1 0 345.443 3.213 20 5 EGBDRO COc1ccc(COCC[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000285000894 275841144 /nfs/dbraw/zinc/84/11/44/275841144.db2.gz GUKZHWYRBQFDSP-ZDUSSCGKSA-N 1 0 345.399 3.053 20 5 EGBDRO C[NH+](C)[C@@H](CNc1ncnc2sc([N+](=O)[O-])cc21)c1ccccc1 ZINC000286693688 276033860 /nfs/dbraw/zinc/03/38/60/276033860.db2.gz BSFSNOGDKRGWHD-ZDUSSCGKSA-N 1 0 343.412 3.314 20 5 EGBDRO CCOC1CC([N@H+](C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000287116797 276085849 /nfs/dbraw/zinc/08/58/49/276085849.db2.gz YUMORXFIPOVUMB-UHFFFAOYSA-N 1 0 345.399 3.292 20 5 EGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](OCc2ccncc2)C1 ZINC000287669863 276145663 /nfs/dbraw/zinc/14/56/63/276145663.db2.gz HNYSIQSDWYEPQA-ZBFHGGJFSA-N 1 0 327.384 3.342 20 5 EGBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)c1 ZINC000288352408 276205226 /nfs/dbraw/zinc/20/52/26/276205226.db2.gz KIKFKHFQHUJYFF-CHWSQXEVSA-N 1 0 349.456 3.016 20 5 EGBDRO O=[N+]([O-])c1cc2c(ncnc2NC2CC[NH+](C3CCCC3)CC2)s1 ZINC000288560307 276228132 /nfs/dbraw/zinc/22/81/32/276228132.db2.gz WDFJREGHZFMJKB-UHFFFAOYSA-N 1 0 347.444 3.418 20 5 EGBDRO COc1cccc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])c1OC ZINC000289637229 276370037 /nfs/dbraw/zinc/37/00/37/276370037.db2.gz XGBGIILSNFCOGP-UHFFFAOYSA-N 1 0 330.384 3.287 20 5 EGBDRO Cc1cc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)cc(N2CCCC2)n1 ZINC000289704103 276380919 /nfs/dbraw/zinc/38/09/19/276380919.db2.gz DZBQIWYHPBNANB-UHFFFAOYSA-N 1 0 340.427 3.497 20 5 EGBDRO COCc1nc(C[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])cs1 ZINC000289759010 276389632 /nfs/dbraw/zinc/38/96/32/276389632.db2.gz LNRUPZCPUVETLV-GFCCVEGCSA-N 1 0 335.429 3.309 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N(CC)CCC[NH+]1CCCC1 ZINC000289783513 276393932 /nfs/dbraw/zinc/39/39/32/276393932.db2.gz MEVDKAPHKPRZGQ-UHFFFAOYSA-N 1 0 348.447 3.497 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@]1(CO)C[C@@H]1c1ccccc1 ZINC000289898696 276415388 /nfs/dbraw/zinc/41/53/88/276415388.db2.gz QWTSBCPSQRNFSV-IDIDMLECSA-N 1 0 338.407 3.364 20 5 EGBDRO CCS(=O)(=O)CCCCC[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292264850 276759042 /nfs/dbraw/zinc/75/90/42/276759042.db2.gz YZLWMAAOGMVUKW-UHFFFAOYSA-N 1 0 342.461 3.025 20 5 EGBDRO CC(C)(C)c1ccc(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000171443671 277266451 /nfs/dbraw/zinc/26/64/51/277266451.db2.gz HVSGTATTWGQYEU-OAHLLOKOSA-N 1 0 345.443 3.203 20 5 EGBDRO CC(C)c1ccc(C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000372614678 278023173 /nfs/dbraw/zinc/02/31/73/278023173.db2.gz XYLKVKKQZFKLNQ-OAHLLOKOSA-N 1 0 331.416 3.029 20 5 EGBDRO Cc1c(NC(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000249802504 280244538 /nfs/dbraw/zinc/24/45/38/280244538.db2.gz ZHUCQSVQZAXTHJ-OLZOCXBDSA-N 1 0 334.420 3.145 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH+](CC3CCCCC3)CC2)c1 ZINC000358244966 281007973 /nfs/dbraw/zinc/00/79/73/281007973.db2.gz XIKXXUJKXUTIIR-UHFFFAOYSA-N 1 0 345.443 3.241 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)n1 ZINC000364455056 281012756 /nfs/dbraw/zinc/01/27/56/281012756.db2.gz CZPHTFPPFULXFD-MRXNPFEDSA-N 1 0 326.400 3.009 20 5 EGBDRO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C(C1CC1)C1CC1 ZINC000050989632 307329791 /nfs/dbraw/zinc/32/97/91/307329791.db2.gz QMXKBQJDDNXVMO-UHFFFAOYSA-N 1 0 337.807 3.307 20 5 EGBDRO CCOc1ccc(NC(=O)C[N@H+](C)CC2CCCC2)c([N+](=O)[O-])c1 ZINC000064021432 307356493 /nfs/dbraw/zinc/35/64/93/307356493.db2.gz BGNDWXBUODCPCI-UHFFFAOYSA-N 1 0 335.404 3.054 20 5 EGBDRO COC(=O)[C@@H](C)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000079922060 307430124 /nfs/dbraw/zinc/43/01/24/307430124.db2.gz CLCLGXZSPWTEDK-SUMWQHHRSA-N 1 0 328.368 3.235 20 5 EGBDRO COc1ccc([C@H](CO)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000414189007 309065783 /nfs/dbraw/zinc/06/57/83/309065783.db2.gz QUOXKYFLHTYIAV-CJNGLKHVSA-N 1 0 330.384 3.030 20 5 EGBDRO CC[C@H]([NH2+]C[C@H](CO)c1ccc(OC)cc1)c1cccc([N+](=O)[O-])c1 ZINC000414194470 309066060 /nfs/dbraw/zinc/06/60/60/309066060.db2.gz UUMBLZVPSPTLKA-APWZRJJASA-N 1 0 344.411 3.420 20 5 EGBDRO CCC[C@H]([NH2+]CCC(C)(C)S(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000414256136 309069037 /nfs/dbraw/zinc/06/90/37/309069037.db2.gz LBFMTBNMINSXAK-HNNXBMFYSA-N 1 0 342.461 3.239 20 5 EGBDRO CCCN(CC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])ccc1SCC ZINC000158329947 307857841 /nfs/dbraw/zinc/85/78/41/307857841.db2.gz PJBGKPYOMKHFHB-UHFFFAOYSA-N 1 0 339.461 3.121 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1CCN(CC(F)(F)F)C1 ZINC000163143119 307920034 /nfs/dbraw/zinc/92/00/34/307920034.db2.gz KTLHORREFFBSEQ-QWHCGFSZSA-N 1 0 345.365 3.438 20 5 EGBDRO CC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000163346886 307921896 /nfs/dbraw/zinc/92/18/96/307921896.db2.gz WKCOTZOPSZRPTM-OCCSQVGLSA-N 1 0 335.404 3.100 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(Br)c1 ZINC000252513256 308032270 /nfs/dbraw/zinc/03/22/70/308032270.db2.gz ORFBERCSZLLPDD-MNOVXSKESA-N 1 0 340.221 3.396 20 5 EGBDRO COc1cc(C[N@H+](C)C/C=C\c2ccccc2[N+](=O)[O-])ccc1O ZINC000255357374 308047850 /nfs/dbraw/zinc/04/78/50/308047850.db2.gz SEHFSBRZNZLVEM-ALCCZGGFSA-N 1 0 328.368 3.454 20 5 EGBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000255593783 308055051 /nfs/dbraw/zinc/05/50/51/308055051.db2.gz FIDUFFUVGMSUBM-FLIBITNWSA-N 1 0 343.427 3.085 20 5 EGBDRO COC[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000293110792 308100427 /nfs/dbraw/zinc/10/04/27/308100427.db2.gz OOBHTSPBGRIYKU-NSHDSACASA-N 1 0 332.322 3.472 20 5 EGBDRO CC(C)[N@H+](C)CCCNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293329846 308120874 /nfs/dbraw/zinc/12/08/74/308120874.db2.gz CQROHPKQTKUYQN-UHFFFAOYSA-N 1 0 347.337 3.074 20 5 EGBDRO COCC[C@@H](C)C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000414476544 309083061 /nfs/dbraw/zinc/08/30/61/309083061.db2.gz AUQQHUZNSQGZIV-GFCCVEGCSA-N 1 0 335.429 3.481 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCC[C@@H](CO)CC3)o2)cc1 ZINC000294044368 308185498 /nfs/dbraw/zinc/18/54/98/308185498.db2.gz PDAOPFLXIQVVEO-CQSZACIVSA-N 1 0 330.384 3.449 20 5 EGBDRO C[C@H]([NH2+]Cc1cccc2c1OCCCO2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294833977 308262153 /nfs/dbraw/zinc/26/21/53/308262153.db2.gz RIOKACSBVFHHTI-LBPRGKRZSA-N 1 0 343.383 3.189 20 5 EGBDRO Cc1cc(Cl)c(C(=O)NCCC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000294971276 308277635 /nfs/dbraw/zinc/27/76/35/308277635.db2.gz GKLSDBPEBFCJOT-UHFFFAOYSA-N 1 0 339.823 3.162 20 5 EGBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)c1nc(C2([NH3+])CCCC2)no1 ZINC000414611892 309091512 /nfs/dbraw/zinc/09/15/12/309091512.db2.gz CZPYUPDGOXIMBP-CYBMUJFWSA-N 1 0 330.388 3.442 20 5 EGBDRO CC(C)C[C@H]([NH3+])c1noc(C(C)(C)c2ccc([N+](=O)[O-])cc2F)n1 ZINC000414616851 309091770 /nfs/dbraw/zinc/09/17/70/309091770.db2.gz KLIFQRNMLRWDSB-ZDUSSCGKSA-N 1 0 336.367 3.489 20 5 EGBDRO [NH3+]C[C@@H]1CCCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000414668021 309094778 /nfs/dbraw/zinc/09/47/78/309094778.db2.gz YKFVFJYDYFEXGS-LBPRGKRZSA-N 1 0 335.791 3.431 20 5 EGBDRO C[C@H]1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@@H](C[NH3+])C1 ZINC000414768039 309099668 /nfs/dbraw/zinc/09/96/68/309099668.db2.gz KVBXONQRGWSWNW-BLLLJJGKSA-N 1 0 346.456 3.278 20 5 EGBDRO CN(c1ccccc1)c1ccc(CN[C@@H](C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000414809122 309102704 /nfs/dbraw/zinc/10/27/04/309102704.db2.gz TYTKJXZDOZZEDQ-KRWDZBQOSA-N 1 0 340.427 3.190 20 5 EGBDRO CCOc1cc(N2CCC[C@@H]([NH+]3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000301508594 308703162 /nfs/dbraw/zinc/70/31/62/308703162.db2.gz DLXCRBOOZHRDCU-OAHLLOKOSA-N 1 0 333.432 3.448 20 5 EGBDRO CC(C)(C)CC[NH+]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000301759947 308714194 /nfs/dbraw/zinc/71/41/94/308714194.db2.gz ZNKXEKICNJJYOM-UHFFFAOYSA-N 1 0 326.828 3.201 20 5 EGBDRO C[NH+](C)Cc1ccc(CNc2nc3sccn3c2[N+](=O)[O-])cc1F ZINC000301858858 308718803 /nfs/dbraw/zinc/71/88/03/308718803.db2.gz DVNFZEHLJCHBJN-UHFFFAOYSA-N 1 0 349.391 3.117 20 5 EGBDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCN1C(=O)OC(C)(C)C ZINC000305877517 308762475 /nfs/dbraw/zinc/76/24/75/308762475.db2.gz OPEZLIBABBMHQE-ZFWWWQNUSA-N 1 0 349.431 3.472 20 5 EGBDRO [NH3+]C1(CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCCCC1 ZINC000414845186 309105156 /nfs/dbraw/zinc/10/51/56/309105156.db2.gz QSVYXXQWZLCFAH-UHFFFAOYSA-N 1 0 346.456 3.470 20 5 EGBDRO C[C@@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CCC[NH2+]C1 ZINC000414848301 309105250 /nfs/dbraw/zinc/10/52/50/309105250.db2.gz GKYDKSXXDAHRPJ-TZMCWYRMSA-N 1 0 346.456 3.196 20 5 EGBDRO CC[C@H]1CCC[C@H]1[NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000348177046 308883564 /nfs/dbraw/zinc/88/35/64/308883564.db2.gz BSHOCDZQYMYGSI-GXTWGEPZSA-N 1 0 333.388 3.061 20 5 EGBDRO CC[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C(C)(C)C ZINC000411485346 308940938 /nfs/dbraw/zinc/94/09/38/308940938.db2.gz GDDYMBJRZNGOHB-OAHLLOKOSA-N 1 0 337.420 3.346 20 5 EGBDRO Cc1ccc(C(C)(C)[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])cn1 ZINC000411522342 308942745 /nfs/dbraw/zinc/94/27/45/308942745.db2.gz AGQXYAOATDGANI-UHFFFAOYSA-N 1 0 342.399 3.152 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@]1(C)CCCC[C@H]1C ZINC000411819789 308953705 /nfs/dbraw/zinc/95/37/05/308953705.db2.gz QNJZIWIQSUHWLZ-ACJLOTCBSA-N 1 0 349.431 3.490 20 5 EGBDRO Cc1cc(=O)n(Cc2ccc(C[NH+]3CCCCC3)cc2)cc1[N+](=O)[O-] ZINC000412997916 309011465 /nfs/dbraw/zinc/01/14/65/309011465.db2.gz JFSFLPXOJRIAMA-UHFFFAOYSA-N 1 0 341.411 3.099 20 5 EGBDRO COCCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])c3ncccc23)CC1 ZINC000413114079 309016864 /nfs/dbraw/zinc/01/68/64/309016864.db2.gz LTCXTROAWGQNJO-UHFFFAOYSA-N 1 0 344.415 3.056 20 5 EGBDRO C[NH+](C)CCCOc1ccc(CNc2ncc([N+](=O)[O-])cc2F)cc1 ZINC000413121868 309017245 /nfs/dbraw/zinc/01/72/45/309017245.db2.gz XOXVWQCDERPFHM-UHFFFAOYSA-N 1 0 348.378 3.072 20 5 EGBDRO CCC[N@H+](C)C[C@H]1CCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000413171023 309019502 /nfs/dbraw/zinc/01/95/02/309019502.db2.gz OLIJQMXHNUDXTL-LLVKDONJSA-N 1 0 346.353 3.177 20 5 EGBDRO C[C@H]1CN(c2nccc3ccc([N+](=O)[O-])cc32)CC[N@@H+](C2CC2)C1 ZINC000413328595 309027058 /nfs/dbraw/zinc/02/70/58/309027058.db2.gz NPOYULJVLBFIOQ-CYBMUJFWSA-N 1 0 326.400 3.064 20 5 EGBDRO C[N@@H+]1CCC[C@@H](CCNc2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000413436199 309031976 /nfs/dbraw/zinc/03/19/76/309031976.db2.gz IFHCFGVLIIFTAZ-NSHDSACASA-N 1 0 329.347 3.340 20 5 EGBDRO O=[N+]([O-])c1cccc(CN[C@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)c1 ZINC000414958216 309111419 /nfs/dbraw/zinc/11/14/19/309111419.db2.gz WJVCWLOHDZSKPO-YJBOKZPZSA-N 1 0 347.365 3.108 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000415305013 309130544 /nfs/dbraw/zinc/13/05/44/309130544.db2.gz WLZZIHOKHZIHRK-AWEZNQCLSA-N 1 0 334.420 3.241 20 5 EGBDRO CC(C)(C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)C1(O)CCOCC1 ZINC000417378686 309203499 /nfs/dbraw/zinc/20/34/99/309203499.db2.gz HYRFVLANLSIYLM-KRWDZBQOSA-N 1 0 348.443 3.130 20 5 EGBDRO CO[C@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)CC(C)C ZINC000418100691 309235348 /nfs/dbraw/zinc/23/53/48/309235348.db2.gz PCBVIOUKGXWCGZ-ZDUSSCGKSA-N 1 0 332.347 3.347 20 5 EGBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000418755071 309256228 /nfs/dbraw/zinc/25/62/28/309256228.db2.gz XCQJHILTXRWHHD-INIZCTEOSA-N 1 0 348.447 3.047 20 5 EGBDRO CC[C@@H]([NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)[C@H]1CC1(C)C ZINC000419325944 309264387 /nfs/dbraw/zinc/26/43/87/309264387.db2.gz XREMAFAIAVBISZ-ZIAGYGMSSA-N 1 0 347.415 3.307 20 5 EGBDRO Cc1cc(N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420227147 309277632 /nfs/dbraw/zinc/27/76/32/309277632.db2.gz IMLAMGJGZFNCHN-GMXVVIOVSA-N 1 0 343.349 3.486 20 5 EGBDRO C[C@@H]1C[C@H](CO)C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000421362619 309320452 /nfs/dbraw/zinc/32/04/52/309320452.db2.gz NSJDYTDTMNFQMR-KGLIPLIRSA-N 1 0 330.384 3.305 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000421744188 309337999 /nfs/dbraw/zinc/33/79/99/309337999.db2.gz MUFSQZWFMIIOMV-INIZCTEOSA-N 1 0 347.440 3.306 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000421746624 309338226 /nfs/dbraw/zinc/33/82/26/309338226.db2.gz DUATUJRQSZLDCD-SWLSCSKDSA-N 1 0 333.432 3.062 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000421752113 309338449 /nfs/dbraw/zinc/33/84/49/309338449.db2.gz PYNZEPSIQSKTFN-ZDUSSCGKSA-N 1 0 333.432 3.063 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000421754091 309338573 /nfs/dbraw/zinc/33/85/73/309338573.db2.gz AKOMPXIGUCVRHD-HNNXBMFYSA-N 1 0 333.432 3.062 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000421776591 309339499 /nfs/dbraw/zinc/33/94/99/309339499.db2.gz UHCOFNBIVGMWKC-MRXNPFEDSA-N 1 0 345.443 3.160 20 5 EGBDRO Cc1cc(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc(C)n1 ZINC000421853133 309343535 /nfs/dbraw/zinc/34/35/35/309343535.db2.gz IPCUHRXTNLYQBI-HZPDHXFCSA-N 1 0 329.404 3.077 20 5 EGBDRO CCc1ccc([C@H](NC2CC[NH2+]CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000423190954 309389829 /nfs/dbraw/zinc/38/98/29/309389829.db2.gz TVZDIDMTPTUCOJ-GOSISDBHSA-N 1 0 329.400 3.181 20 5 EGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](CN)CC(C)C ZINC000423257847 309392608 /nfs/dbraw/zinc/39/26/08/309392608.db2.gz AIPQDTPDFDRUKU-KBPBESRZSA-N 1 0 325.478 3.429 20 5 EGBDRO C[C@@H](c1nc(C2([NH3+])CCCCC2)no1)c1ccc([N+](=O)[O-])cc1F ZINC000424340342 309439581 /nfs/dbraw/zinc/43/95/81/309439581.db2.gz GGTOYAXPDJNVNU-SNVBAGLBSA-N 1 0 334.351 3.387 20 5 EGBDRO C[NH2+]CC1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000435391119 309731532 /nfs/dbraw/zinc/73/15/32/309731532.db2.gz VKLQCKXGSALAQU-UHFFFAOYSA-N 1 0 346.456 3.150 20 5 EGBDRO C[NH+](C)[C@H]1CCC[C@H](Nc2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000436384547 309754398 /nfs/dbraw/zinc/75/43/98/309754398.db2.gz GKVLKYYWDLPOCX-UWVGGRQHSA-N 1 0 332.326 3.293 20 5 EGBDRO COCCC1(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCC1 ZINC000447581336 309983014 /nfs/dbraw/zinc/98/30/14/309983014.db2.gz UCKNISKPLRNVCR-HUUCEWRRSA-N 1 0 336.436 3.071 20 5 EGBDRO COC1(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCCCC1 ZINC000447597837 309983921 /nfs/dbraw/zinc/98/39/21/309983921.db2.gz TXCQMXLLKGNTAN-GJZGRUSLSA-N 1 0 336.436 3.214 20 5 EGBDRO CC[NH+](CC)C[C@@H](C)NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000448978167 310026639 /nfs/dbraw/zinc/02/66/39/310026639.db2.gz WCLYGDUZOHBGCN-SNVBAGLBSA-N 1 0 347.337 3.074 20 5 EGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000449188884 310043354 /nfs/dbraw/zinc/04/33/54/310043354.db2.gz GQOYJNSSDNQGEN-UNEWFSDZSA-N 1 0 336.457 3.170 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc3c(c2)OCCCCO3)cc1 ZINC000449217822 310045370 /nfs/dbraw/zinc/04/53/70/310045370.db2.gz CBSWCZYPUYWGGC-UHFFFAOYSA-N 1 0 328.368 3.436 20 5 EGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCc1nn(C)c2ccccc12 ZINC000449248216 310047464 /nfs/dbraw/zinc/04/74/64/310047464.db2.gz IIBSWSCPJQDCFN-AWEZNQCLSA-N 1 0 338.411 3.245 20 5 EGBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1CCCC1(F)F ZINC000449496054 310066764 /nfs/dbraw/zinc/06/67/64/310066764.db2.gz PISMZOVOAXGVOG-RYUDHWBXSA-N 1 0 341.358 3.337 20 5 EGBDRO COc1cc(C[N@@H+]2C[C@@H](C3CC3)[C@H]2C2CC2)c([N+](=O)[O-])cc1OC ZINC000449532915 310069644 /nfs/dbraw/zinc/06/96/44/310069644.db2.gz DVJUXYLMPDBGHR-KBXCAEBGSA-N 1 0 332.400 3.232 20 5 EGBDRO COc1cc(C[N@@H+]2C[C@H](C3CC3)[C@H]2C2CC2)c([N+](=O)[O-])cc1OC ZINC000449532921 310069752 /nfs/dbraw/zinc/06/97/52/310069752.db2.gz DVJUXYLMPDBGHR-RDTXWAMCSA-N 1 0 332.400 3.232 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCO[C@@H](c3ccncc3)C2)c(F)c1 ZINC000449535297 310069790 /nfs/dbraw/zinc/06/97/90/310069790.db2.gz HJMPZVZLARWZIU-WMLDXEAASA-N 1 0 331.347 3.139 20 5 EGBDRO CC(C)[C@@H]1C[C@H]1C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000449550740 310071119 /nfs/dbraw/zinc/07/11/19/310071119.db2.gz CJLDGOIPQUNIJH-YOEHRIQHSA-N 1 0 328.416 3.377 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000449557586 310071696 /nfs/dbraw/zinc/07/16/96/310071696.db2.gz VAKVJVLJSSMYNT-SGNNYXEQSA-N 1 0 330.428 3.481 20 5 EGBDRO CC[C@@H](O)[C@@H](CC)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000449637275 310076550 /nfs/dbraw/zinc/07/65/50/310076550.db2.gz GFRKKTSTUGGFEE-HUUCEWRRSA-N 1 0 335.429 3.357 20 5 EGBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CCC[C@H]2CCOC2)c1 ZINC000449684775 310080670 /nfs/dbraw/zinc/08/06/70/310080670.db2.gz QDKBWWODKSAPEY-NSHDSACASA-N 1 0 330.331 3.103 20 5 EGBDRO CC1(C)CCC[N@@H+]1CCNCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000449781963 310086863 /nfs/dbraw/zinc/08/68/63/310086863.db2.gz JVDMNFWILXTGCC-UHFFFAOYSA-N 1 0 343.374 3.160 20 5 EGBDRO O=[N+]([O-])c1cccc2c1ccnc2N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000450348185 310117007 /nfs/dbraw/zinc/11/70/07/310117007.db2.gz REKUKNGNHJYSJY-AWEZNQCLSA-N 1 0 326.400 3.065 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000451006540 310155098 /nfs/dbraw/zinc/15/50/98/310155098.db2.gz VLXONYBIFBZVJW-OAHLLOKOSA-N 1 0 327.384 3.378 20 5 EGBDRO COc1c(C)cnc(C[N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)c1C ZINC000451370422 310174615 /nfs/dbraw/zinc/17/46/15/310174615.db2.gz BEWOQEIJUPWJOV-UHFFFAOYSA-N 1 0 345.399 3.126 20 5 EGBDRO CN(C)C(=O)C1([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CCCCC1 ZINC000451404045 310176415 /nfs/dbraw/zinc/17/64/15/310176415.db2.gz LSRYZZRBQCLWFX-UHFFFAOYSA-N 1 0 339.823 3.129 20 5 EGBDRO CCC[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000451435190 310178335 /nfs/dbraw/zinc/17/83/35/310178335.db2.gz JAODLSDZPSHCFA-HNNXBMFYSA-N 1 0 342.461 3.173 20 5 EGBDRO CO[C@]1(C)C[C@H]([NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1(C)C ZINC000451481146 310180444 /nfs/dbraw/zinc/18/04/44/310180444.db2.gz AGVIQQZZPSFKOA-MAUKXSAKSA-N 1 0 349.431 3.025 20 5 EGBDRO CC(C)O[C@@H]1C[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1(C)C ZINC000451487945 310180806 /nfs/dbraw/zinc/18/08/06/310180806.db2.gz ACNHHHDVZJRFQO-HUUCEWRRSA-N 1 0 332.404 3.153 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H]1C[C@@H](OC(C)C)C1(C)C ZINC000451488606 310180876 /nfs/dbraw/zinc/18/08/76/310180876.db2.gz BDYROFRLMWCHLX-JKSUJKDBSA-N 1 0 349.431 3.023 20 5 EGBDRO CO[C@@H]1[C@H](C)[C@@H]([NH2+]Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1(C)C ZINC000451496732 310181197 /nfs/dbraw/zinc/18/11/97/310181197.db2.gz JJKRLTYXWHUHMY-HFBAOOFYSA-N 1 0 345.399 3.399 20 5 EGBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@]2(CCSC2)C1 ZINC000451959523 310205162 /nfs/dbraw/zinc/20/51/62/310205162.db2.gz BBZMTCWMTZOHEN-CXAGYDPISA-N 1 0 349.456 3.141 20 5 EGBDRO CC(C)(C)C[C@H]1CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000452074593 310210401 /nfs/dbraw/zinc/21/04/01/310210401.db2.gz HGSNBNKQSOUXIC-CABCVRRESA-N 1 0 336.432 3.093 20 5 EGBDRO O=C(CC[N@@H+]1C[C@@H](C2CC2)[C@H]1C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000453026358 310253311 /nfs/dbraw/zinc/25/33/11/310253311.db2.gz FEFZDPGUKNNLQK-KBXCAEBGSA-N 1 0 329.400 3.044 20 5 EGBDRO CC(C)[C@@H]1[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC12CCCC2 ZINC000453039668 310253876 /nfs/dbraw/zinc/25/38/76/310253876.db2.gz OSDMJTKQGUPPHJ-YJBOKZPZSA-N 1 0 348.443 3.235 20 5 EGBDRO CC[C@@H]([NH2+]C[C@@H](O)Cc1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000453244903 310266376 /nfs/dbraw/zinc/26/63/76/310266376.db2.gz KJFKRUWYXVAQDT-ZWKOTPCHSA-N 1 0 332.375 3.378 20 5 EGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@@H]2CCCC2(F)F)n1 ZINC000453323525 310271083 /nfs/dbraw/zinc/27/10/83/310271083.db2.gz ULALIOHOEMBSIR-RWMBFGLXSA-N 1 0 328.363 3.300 20 5 EGBDRO COCC1(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCCC1 ZINC000453382071 310273900 /nfs/dbraw/zinc/27/39/00/310273900.db2.gz LGVLSGURHWCZPB-CABCVRRESA-N 1 0 336.436 3.071 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@H](c3nccn3C)C2)cc1[N+](=O)[O-] ZINC000453393831 310274663 /nfs/dbraw/zinc/27/46/63/310274663.db2.gz ILTFZGLEMINCRC-LXZKKBNFSA-N 1 0 344.415 3.208 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCCCC[N@H+](C)C1CC1 ZINC000455467530 310362079 /nfs/dbraw/zinc/36/20/79/310362079.db2.gz RJPVVNRSDSKSDE-UHFFFAOYSA-N 1 0 334.420 3.153 20 5 EGBDRO COc1cccc2c1C[C@@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])C2 ZINC000459726685 310571077 /nfs/dbraw/zinc/57/10/77/310571077.db2.gz MCFYZWQNSGNAOR-BBRMVZONSA-N 1 0 326.396 3.291 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCN(c3ccccc3F)C2)c(F)c1 ZINC000462910721 310607438 /nfs/dbraw/zinc/60/74/38/310607438.db2.gz JBSYILBPIFJVCR-ZDUSSCGKSA-N 1 0 347.365 3.489 20 5 EGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCN1CC=CCC1 ZINC000479519447 310876532 /nfs/dbraw/zinc/87/65/32/310876532.db2.gz SVXAAHFCJYDAEE-OAHLLOKOSA-N 1 0 335.473 3.317 20 5 EGBDRO CCC(CC)[C@@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)N1CCOCC1 ZINC000480524277 310895855 /nfs/dbraw/zinc/89/58/55/310895855.db2.gz JRAAEPXHBFPJHW-HNAYVOBHSA-N 1 0 349.475 3.382 20 5 EGBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H](C)C(F)(F)F ZINC000480656647 310898545 /nfs/dbraw/zinc/89/85/45/310898545.db2.gz BLFLDJDDOFEIDV-NXEZZACHSA-N 1 0 333.310 3.100 20 5 EGBDRO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000481097827 310906023 /nfs/dbraw/zinc/90/60/23/310906023.db2.gz BITXBZPVOMUNPS-CJNGLKHVSA-N 1 0 333.432 3.362 20 5 EGBDRO O=[N+]([O-])c1ccc(CCCC[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)cc1 ZINC000488120838 311052280 /nfs/dbraw/zinc/05/22/80/311052280.db2.gz RFVUZKKJCMXSAR-RCCFBDPRSA-N 1 0 330.428 3.465 20 5 EGBDRO CCOc1cc(N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000488722044 311076404 /nfs/dbraw/zinc/07/64/04/311076404.db2.gz NFTYUNIQNHPTIL-CKEIUWERSA-N 1 0 333.432 3.160 20 5 EGBDRO O=[N+]([O-])c1ccccc1OCCN1CCOc2ccc(F)cc2C1 ZINC000489256884 311097420 /nfs/dbraw/zinc/09/74/20/311097420.db2.gz BZQLYCHAGHYMEF-UHFFFAOYSA-N 1 0 332.331 3.007 20 5 EGBDRO CCCN(CCC)C(=O)CN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000490046157 311131072 /nfs/dbraw/zinc/13/10/72/311131072.db2.gz ORXXXMMFGXLQBP-UHFFFAOYSA-N 1 0 333.432 3.208 20 5 EGBDRO CC[NH+](CC)CC1CCN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000491318136 311173223 /nfs/dbraw/zinc/17/32/23/311173223.db2.gz CSLGUVGLTXKHOW-HJWRWDBZSA-N 1 0 345.443 3.188 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3CCn4ccnc4C3)o2)cc1 ZINC000494444447 311478505 /nfs/dbraw/zinc/47/85/05/311478505.db2.gz LZUNGMMBWJLSMA-AWEZNQCLSA-N 1 0 338.367 3.156 20 5 EGBDRO COC(=O)N1CCC[C@H]([C@@H](C)[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000495555454 311577769 /nfs/dbraw/zinc/57/77/69/311577769.db2.gz FZHPTBDZDOPETD-MCIONIFRSA-N 1 0 335.404 3.112 20 5 EGBDRO CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000495565853 311579320 /nfs/dbraw/zinc/57/93/20/311579320.db2.gz NFTPIVXHQBCPCF-YPMHNXCESA-N 1 0 341.433 3.003 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(N2CCC(CCC[NH+]3CCOCC3)CC2)c1 ZINC000503279289 311984062 /nfs/dbraw/zinc/98/40/62/311984062.db2.gz YGULZYFARTYFLJ-UHFFFAOYSA-N 1 0 347.459 3.232 20 5 EGBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H](C)c1ccncc1F ZINC000510977192 312152334 /nfs/dbraw/zinc/15/23/34/312152334.db2.gz PDXMXBPCZZTWKH-VXGBXAGGSA-N 1 0 346.362 3.197 20 5 EGBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)c1ccncc1F ZINC000511051953 312153629 /nfs/dbraw/zinc/15/36/29/312153629.db2.gz SWZZVDXZBRKQGI-NEPJUHHUSA-N 1 0 346.362 3.197 20 5 EGBDRO C[C@@H](C(=O)NC[C@@H](c1cccs1)[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000514770843 312244116 /nfs/dbraw/zinc/24/41/16/312244116.db2.gz RAMHVLYNTXWNHC-DOMZBBRYSA-N 1 0 347.440 3.179 20 5 EGBDRO Cc1cn2c(n1)[C@H](C[NH2+][C@@H]1CCc3c1cccc3[N+](=O)[O-])CCC2 ZINC000515433170 312282853 /nfs/dbraw/zinc/28/28/53/312282853.db2.gz QAZYTJJVWUPYKK-XJKSGUPXSA-N 1 0 326.400 3.254 20 5 EGBDRO Cc1ccc([C@H](C)C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000516454477 312324262 /nfs/dbraw/zinc/32/42/62/312324262.db2.gz RPWIOXGMVMIEMV-CRAIPNDOSA-N 1 0 344.411 3.036 20 5 EGBDRO CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000516937263 312352337 /nfs/dbraw/zinc/35/23/37/312352337.db2.gz AQDRUMZTLYNKRV-YVNBRXOLSA-N 1 0 336.457 3.252 20 5 EGBDRO Cc1ccc(C[C@H](CO)[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000527505690 312871353 /nfs/dbraw/zinc/87/13/53/312871353.db2.gz DEPJJPFPVHIGQU-NVXWUHKLSA-N 1 0 328.412 3.466 20 5 EGBDRO COc1ccc(C2([NH2+]CCOc3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000537057721 314159712 /nfs/dbraw/zinc/15/97/12/314159712.db2.gz PGTORZMIKLEFLK-UHFFFAOYSA-N 1 0 328.368 3.261 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@@H](CO)Cc1ccc(F)cc1 ZINC000537273535 314171766 /nfs/dbraw/zinc/17/17/66/314171766.db2.gz NBGSXFRGFOEWTO-WMHVBEDNSA-N 1 0 344.386 3.188 20 5 EGBDRO CC[C@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)C(C)(C)C ZINC000538390998 314243804 /nfs/dbraw/zinc/24/38/04/314243804.db2.gz IKPXPQHKZZQCHP-HNNXBMFYSA-N 1 0 337.420 3.346 20 5 EGBDRO C[C@@H]1CN(C)CC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000538730026 314271251 /nfs/dbraw/zinc/27/12/51/314271251.db2.gz ZCADWNCGSOHARI-CYBMUJFWSA-N 1 0 331.441 3.459 20 5 EGBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C1CCC(F)(F)CC1 ZINC000539050806 314292247 /nfs/dbraw/zinc/29/22/47/314292247.db2.gz QJHPQBWJOYNFAM-LLVKDONJSA-N 1 0 341.358 3.479 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC(=O)N(C)C1CCCCC1 ZINC000539055647 314293068 /nfs/dbraw/zinc/29/30/68/314293068.db2.gz YSDQUQOTUVOFCI-CQSZACIVSA-N 1 0 333.432 3.345 20 5 EGBDRO O=C(C[NH2+][C@@H](c1cccs1)C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000540464764 314382486 /nfs/dbraw/zinc/38/24/86/314382486.db2.gz XUCFBZAOCAWDSD-MRXNPFEDSA-N 1 0 331.397 3.336 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CCCCc3ccccc3)CC2)cn1 ZINC000548485045 315015670 /nfs/dbraw/zinc/01/56/70/315015670.db2.gz FLJDUDNZBRJEMK-UHFFFAOYSA-N 1 0 340.427 3.135 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC(C)(C)[C@H]2CCC[C@H]21 ZINC000550062891 315114822 /nfs/dbraw/zinc/11/48/22/315114822.db2.gz YABOMGQKSHBQNR-GOEBONIOSA-N 1 0 331.416 3.352 20 5 EGBDRO CC[C@@H]1C[N@H+](C)CCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000552134094 315200759 /nfs/dbraw/zinc/20/07/59/315200759.db2.gz VBGDMJWVUBDLRJ-OAHLLOKOSA-N 1 0 329.400 3.381 20 5 EGBDRO Cc1ccc(C[C@@H]2CCC[N@H+](CCn3ccc([N+](=O)[O-])n3)C2)cc1 ZINC000555360108 315381211 /nfs/dbraw/zinc/38/12/11/315381211.db2.gz BZBIBHFLESLNSX-KRWDZBQOSA-N 1 0 328.416 3.054 20 5 EGBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)c1 ZINC000555414411 315383037 /nfs/dbraw/zinc/38/30/37/315383037.db2.gz NYFWVGLRYLEWSG-NEPJUHHUSA-N 1 0 344.333 3.472 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)Nc2c(F)cccc2F)cc1[N+](=O)[O-] ZINC000557585443 315520557 /nfs/dbraw/zinc/52/05/57/315520557.db2.gz NWCTUGQJNPCCJW-NSHDSACASA-N 1 0 349.337 3.471 20 5 EGBDRO C[C@H]1CCC[C@@]1(O)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000559353824 315630156 /nfs/dbraw/zinc/63/01/56/315630156.db2.gz YAKGBWDXNIAAFS-SCLBCKFNSA-N 1 0 330.384 3.496 20 5 EGBDRO Cc1ccc([C@H](C)C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000562995711 315937925 /nfs/dbraw/zinc/93/79/25/315937925.db2.gz LTFJREUBBFVUEW-WBVHZDCISA-N 1 0 344.411 3.036 20 5 EGBDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000564720739 316194076 /nfs/dbraw/zinc/19/40/76/316194076.db2.gz MXIAXKBEPPGOGX-HZPDHXFCSA-N 1 0 347.459 3.183 20 5 EGBDRO CCCC[C@H](C)[C@H](C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000569848287 316972948 /nfs/dbraw/zinc/97/29/48/316972948.db2.gz QLFOCGNKLVEXLE-KBPBESRZSA-N 1 0 342.461 3.173 20 5 EGBDRO Cc1ccc(C[C@@H]2CCC[N@@H+](Cc3c([N+](=O)[O-])ncn3C)C2)cc1 ZINC000571136379 317154559 /nfs/dbraw/zinc/15/45/59/317154559.db2.gz BFXVAAYVGKZPDP-INIZCTEOSA-N 1 0 328.416 3.091 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000571955448 317270622 /nfs/dbraw/zinc/27/06/22/317270622.db2.gz MHANURQILPDKSW-CVEARBPZSA-N 1 0 335.448 3.055 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCC[C@@H](N2CCCC2=O)C1 ZINC000572059897 317285222 /nfs/dbraw/zinc/28/52/22/317285222.db2.gz KTQMGPBXZBSGBC-ARFHVFGLSA-N 1 0 345.443 3.487 20 5 EGBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000572796300 317392318 /nfs/dbraw/zinc/39/23/18/317392318.db2.gz CWTVTFXTLRLFBA-YYIAUSFCSA-N 1 0 348.443 3.283 20 5 EGBDRO CC(C)(C)C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000573965142 317547007 /nfs/dbraw/zinc/54/70/07/317547007.db2.gz GNYIGCLEEVNUBJ-UHFFFAOYSA-N 1 0 348.184 3.335 20 5 EGBDRO CC[C@@H]([NH2+][C@@H]1CCN(c2ccccc2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000178675349 323359069 /nfs/dbraw/zinc/35/90/69/323359069.db2.gz NJTNAFMFONJKLU-QZTJIDSGSA-N 1 0 339.395 3.441 20 5 EGBDRO Cc1cccc(C(C)(C)[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000179590580 323394767 /nfs/dbraw/zinc/39/47/67/323394767.db2.gz JBEVPBOYAXDVTA-KRWDZBQOSA-N 1 0 344.411 3.168 20 5 EGBDRO COc1ccc(F)cc1[C@@H](C)[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000179947311 323414491 /nfs/dbraw/zinc/41/44/91/323414491.db2.gz GFXFNQJIRIRTSD-GFCCVEGCSA-N 1 0 334.347 3.472 20 5 EGBDRO Cc1ccccc1OC[C@H](O)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181831027 323506990 /nfs/dbraw/zinc/50/69/90/323506990.db2.gz XSUMAFRWDXQCLQ-DOTOQJQBSA-N 1 0 344.411 3.302 20 5 EGBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000192563510 323819408 /nfs/dbraw/zinc/81/94/08/323819408.db2.gz GGSLCKSDMKOCHK-INIZCTEOSA-N 1 0 349.479 3.212 20 5 EGBDRO C[C@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000389824376 324279993 /nfs/dbraw/zinc/27/99/93/324279993.db2.gz NYGXLZKQEXKXGL-JXFKEZNVSA-N 1 0 339.439 3.247 20 5 EGBDRO COc1cccc(CC[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])c1OC ZINC000579614009 325136632 /nfs/dbraw/zinc/13/66/32/325136632.db2.gz LRBOIVHWJDKRHI-MRXNPFEDSA-N 1 0 342.395 3.432 20 5 EGBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000579828901 325164668 /nfs/dbraw/zinc/16/46/68/325164668.db2.gz YUMOSSOOGZMFJH-INIZCTEOSA-N 1 0 328.368 3.127 20 5 EGBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c1 ZINC000580803171 325296627 /nfs/dbraw/zinc/29/66/27/325296627.db2.gz KLACXARBCXPXAX-SJORKVTESA-N 1 0 332.400 3.007 20 5 EGBDRO C[C@@H](C(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000582583035 325452398 /nfs/dbraw/zinc/45/23/98/325452398.db2.gz OSONGTRYPYWXRX-KDOFPFPSSA-N 1 0 341.411 3.117 20 5 EGBDRO O=[N+]([O-])c1cc(CNC2CC[NH+](Cc3ccccc3)CC2)cs1 ZINC000237972190 455239252 /nfs/dbraw/zinc/23/92/52/455239252.db2.gz SYTNQLKHKBRSOL-UHFFFAOYSA-N 1 0 331.441 3.411 20 5 EGBDRO O=C(CC[N@@H+]1CCc2cccc(F)c2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000158009428 455258156 /nfs/dbraw/zinc/25/81/56/455258156.db2.gz FEAHPHAOOOEFPO-UHFFFAOYSA-N 1 0 343.358 3.121 20 5 EGBDRO CC(C)(O)C[N@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CC1 ZINC000189945267 455258944 /nfs/dbraw/zinc/25/89/44/455258944.db2.gz VIRLXFWESIZMBQ-UHFFFAOYSA-N 1 0 347.440 3.454 20 5 EGBDRO COc1cccc2c1OC[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C2 ZINC000173381370 455276574 /nfs/dbraw/zinc/27/65/74/455276574.db2.gz AVRIKTYIVHEZDL-IUODEOHRSA-N 1 0 328.368 3.258 20 5 EGBDRO C[C@H]1CSCC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000190448179 455319415 /nfs/dbraw/zinc/31/94/15/455319415.db2.gz VZZFHMNUBPNZJR-CYBMUJFWSA-N 1 0 347.440 3.477 20 5 EGBDRO C[C@H]1c2ccsc2CC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000025700779 453783264 /nfs/dbraw/zinc/78/32/64/453783264.db2.gz VKKPUBRTLPIQLD-GXTWGEPZSA-N 1 0 348.424 3.015 20 5 EGBDRO Cc1c(NC(=O)CC[N@@H+]2CCc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000026156277 453793397 /nfs/dbraw/zinc/79/33/97/453793397.db2.gz ZXZZDMQFJIQSBF-UHFFFAOYSA-N 1 0 339.395 3.290 20 5 EGBDRO C[NH+](C)[C@H](CNc1nc2sccn2c1[N+](=O)[O-])c1ccsc1 ZINC000026720398 453804300 /nfs/dbraw/zinc/80/43/00/453804300.db2.gz BAQCJYYCRHYSFS-SNVBAGLBSA-N 1 0 337.430 3.080 20 5 EGBDRO NC(=O)c1ccc(C[N@@H+]2CCC[C@H]2c2cccs2)c([N+](=O)[O-])c1 ZINC000027357765 453815548 /nfs/dbraw/zinc/81/55/48/453815548.db2.gz OSHWHSOCIHTIPW-ZDUSSCGKSA-N 1 0 331.397 3.092 20 5 EGBDRO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CCCC1 ZINC000052908462 453848887 /nfs/dbraw/zinc/84/88/87/453848887.db2.gz CDJSVZKTWPFVDN-UHFFFAOYSA-N 1 0 325.796 3.451 20 5 EGBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000081335192 453862498 /nfs/dbraw/zinc/86/24/98/453862498.db2.gz ZQEKKTUFKRARJP-GFCCVEGCSA-N 1 0 339.823 3.052 20 5 EGBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000081364458 453865714 /nfs/dbraw/zinc/86/57/14/453865714.db2.gz KEATXUVKCAFENS-GFCCVEGCSA-N 1 0 339.823 3.052 20 5 EGBDRO CCC1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000053378095 453875293 /nfs/dbraw/zinc/87/52/93/453875293.db2.gz JZELDDOQUHOIHF-UHFFFAOYSA-N 1 0 335.404 3.054 20 5 EGBDRO CNC(=O)c1ccc(NCCCC[N@@H+]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000053571990 453888244 /nfs/dbraw/zinc/88/82/44/453888244.db2.gz NPPHBEAXFAKPDK-AWEZNQCLSA-N 1 0 348.447 3.021 20 5 EGBDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000053753061 453894848 /nfs/dbraw/zinc/89/48/48/453894848.db2.gz VZQLAZIKVIDXCA-ZDUSSCGKSA-N 1 0 334.420 3.227 20 5 EGBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000075541072 453902881 /nfs/dbraw/zinc/90/28/81/453902881.db2.gz JBFDBIDFJDCSDT-LLVKDONJSA-N 1 0 340.811 3.054 20 5 EGBDRO CC(C)NC(=O)c1ccc(NC2CC[NH+](C(C)C)CC2)c([N+](=O)[O-])c1 ZINC000054360469 453925157 /nfs/dbraw/zinc/92/51/57/453925157.db2.gz CTIWKXYQRBCIHI-UHFFFAOYSA-N 1 0 348.447 3.018 20 5 EGBDRO COc1cc2[nH]c(NCc3ccc([N+](=O)[O-])cc3)[nH+]c2cc1OC ZINC000082741577 453929097 /nfs/dbraw/zinc/92/90/97/453929097.db2.gz QNIWVPMARRQSPS-UHFFFAOYSA-N 1 0 328.328 3.100 20 5 EGBDRO Cc1c(NC(=O)CC[N@@H+]2CCSC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000083415939 453947963 /nfs/dbraw/zinc/94/79/63/453947963.db2.gz PEOWZHGOUQITPW-UHFFFAOYSA-N 1 0 337.445 3.059 20 5 EGBDRO COc1ccccc1NC(=O)[C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000056197186 454043540 /nfs/dbraw/zinc/04/35/40/454043540.db2.gz QIEGWRWLFGVTTH-OLZOCXBDSA-N 1 0 343.383 3.281 20 5 EGBDRO C[NH+](C)Cc1cccc(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)c1 ZINC000056951379 454091752 /nfs/dbraw/zinc/09/17/52/454091752.db2.gz KDSFMPMIEVXTHR-UHFFFAOYSA-N 1 0 338.367 3.390 20 5 EGBDRO CC(C)[N@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C1CCC1 ZINC000077358283 454096835 /nfs/dbraw/zinc/09/68/35/454096835.db2.gz FBPRUPIHOZPIKB-UHFFFAOYSA-N 1 0 333.388 3.156 20 5 EGBDRO C[C@@H]1C[C@H]1[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc(Cl)cc1 ZINC000245919242 455398976 /nfs/dbraw/zinc/39/89/76/455398976.db2.gz QMGKGEUYTXNJTF-XFJVYGCCSA-N 1 0 334.807 3.432 20 5 EGBDRO O=C(c1csc([N+](=O)[O-])c1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000044397686 454099871 /nfs/dbraw/zinc/09/98/71/454099871.db2.gz DASPVTMQDANBIG-UHFFFAOYSA-N 1 0 345.424 3.004 20 5 EGBDRO Cc1c([C@H](C)[NH2+][C@H](C(=O)N2CCCC2)C(C)C)cccc1[N+](=O)[O-] ZINC000089723235 454184177 /nfs/dbraw/zinc/18/41/77/454184177.db2.gz IXDQBNYEBZWIEL-YOEHRIQHSA-N 1 0 333.432 3.201 20 5 EGBDRO COc1cc(C[NH2+]C2CCC(OC(C)C)CC2)c([N+](=O)[O-])cc1O ZINC000130264701 454186039 /nfs/dbraw/zinc/18/60/39/454186039.db2.gz UWVORUGHZWETCB-UHFFFAOYSA-N 1 0 338.404 3.135 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000119916931 454235290 /nfs/dbraw/zinc/23/52/90/454235290.db2.gz BLGQPBMDCMWURF-OWCLPIDISA-N 1 0 335.448 3.053 20 5 EGBDRO Cc1cc(N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c2ccccc2[nH+]1 ZINC000046483693 454255062 /nfs/dbraw/zinc/25/50/62/454255062.db2.gz RPYSQSTZQSXTGA-UHFFFAOYSA-N 1 0 349.394 3.173 20 5 EGBDRO CC[C@@H](c1ccccc1)[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000078463004 454256286 /nfs/dbraw/zinc/25/62/86/454256286.db2.gz LAXXIVCBHBLTPX-INIZCTEOSA-N 1 0 326.400 3.263 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC(n2ccnc2)CC1 ZINC000120191469 454269432 /nfs/dbraw/zinc/26/94/32/454269432.db2.gz UFGPYODHUKGENX-UHFFFAOYSA-N 1 0 343.387 3.277 20 5 EGBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000090107492 454279733 /nfs/dbraw/zinc/27/97/33/454279733.db2.gz GNNPLJPCZBANIJ-ZBFHGGJFSA-N 1 0 340.427 3.433 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCN(C3CCCCC3)C2=O)cc1[N+](=O)[O-] ZINC000090464014 454308967 /nfs/dbraw/zinc/30/89/67/454308967.db2.gz CXYZDLMRZJQOJH-PBHICJAKSA-N 1 0 345.443 3.487 20 5 EGBDRO Cc1c([C@@H](C)[NH2+][C@@H]2CCN(C3CCCCC3)C2=O)cccc1[N+](=O)[O-] ZINC000090464296 454309484 /nfs/dbraw/zinc/30/94/84/454309484.db2.gz MHZICRRFUNXZHO-RHSMWYFYSA-N 1 0 345.443 3.487 20 5 EGBDRO Cc1ccc(C(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000047038136 454323235 /nfs/dbraw/zinc/32/32/35/454323235.db2.gz KFGPWHJCYIKKSR-GJZGRUSLSA-N 1 0 347.459 3.391 20 5 EGBDRO O=C(CC[NH+]1CCC(C(F)(F)F)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000072801973 454342548 /nfs/dbraw/zinc/34/25/48/454342548.db2.gz FNNNZCFBMQGCCQ-UHFFFAOYSA-N 1 0 345.321 3.198 20 5 EGBDRO O=[N+]([O-])c1cc(Br)ccc1N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000061591091 454348707 /nfs/dbraw/zinc/34/87/07/454348707.db2.gz IKMALKROOYOMQW-GFCCVEGCSA-N 1 0 340.221 3.032 20 5 EGBDRO Cc1c(C(=O)NC2CC[NH+](CC3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000063273191 454400732 /nfs/dbraw/zinc/40/07/32/454400732.db2.gz CYPXJJAEGKGVFN-UHFFFAOYSA-N 1 0 345.443 3.288 20 5 EGBDRO C[C@@H]1CCCN(C(=O)C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000048047502 454435575 /nfs/dbraw/zinc/43/55/75/454435575.db2.gz REOHIBBMHCYETP-OAHLLOKOSA-N 1 0 345.443 3.065 20 5 EGBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000064311944 454472539 /nfs/dbraw/zinc/47/25/39/454472539.db2.gz SKXYOWHHLOZMMC-RYUDHWBXSA-N 1 0 339.823 3.098 20 5 EGBDRO CCC(CC)[N@H+](CCOC)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000064806915 454507313 /nfs/dbraw/zinc/50/73/13/454507313.db2.gz WTKUCHSMNHKKQR-UHFFFAOYSA-N 1 0 348.403 3.282 20 5 EGBDRO Cc1c(NC(=O)NC[C@H](C)[NH+]2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC000065357503 454552960 /nfs/dbraw/zinc/55/29/60/454552960.db2.gz SUBDCGRQEBNHMD-ZDUSSCGKSA-N 1 0 334.420 3.145 20 5 EGBDRO CC[N@H+](CCNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(C)C ZINC000080259015 454558231 /nfs/dbraw/zinc/55/82/31/454558231.db2.gz WZKWFEDYSMZWQA-UHFFFAOYSA-N 1 0 347.337 3.074 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[N@@H+](CCO)[C@H]2CCc3ccccc32)cc1 ZINC000074311811 454561308 /nfs/dbraw/zinc/56/13/08/454561308.db2.gz VQRLFACFTCHHJH-IBGZPJMESA-N 1 0 326.396 3.119 20 5 EGBDRO COc1cc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)cc2c1OCO2 ZINC000080347055 454569231 /nfs/dbraw/zinc/56/92/31/454569231.db2.gz OZEMODSODIDHSY-UHFFFAOYSA-N 1 0 344.367 3.357 20 5 EGBDRO CC(C)([NH2+]Cc1cnc(N2CCCC2)nc1)c1ccc([N+](=O)[O-])cc1 ZINC000080346980 454569369 /nfs/dbraw/zinc/56/93/69/454569369.db2.gz NHZPCRIOZYMVEJ-UHFFFAOYSA-N 1 0 341.415 3.010 20 5 EGBDRO C[NH+](C)C1(CNC(=O)NCc2cccc([N+](=O)[O-])c2)CCCCCC1 ZINC000065487268 454576363 /nfs/dbraw/zinc/57/63/63/454576363.db2.gz VQHXASPOKGLZJF-UHFFFAOYSA-N 1 0 348.447 3.049 20 5 EGBDRO C[C@@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H](C)S1 ZINC000092540256 454582499 /nfs/dbraw/zinc/58/24/99/454582499.db2.gz XFQKNZYEBCBNOM-BETUJISGSA-N 1 0 346.456 3.321 20 5 EGBDRO Cc1cc([N+](=O)[O-])cnc1NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000092687364 454611131 /nfs/dbraw/zinc/61/11/31/454611131.db2.gz XAQNTWNNVARTHD-CQSZACIVSA-N 1 0 341.415 3.331 20 5 EGBDRO Cc1c(C[N@H+](Cc2ccc(C(N)=O)cc2)C2CC2)cccc1[N+](=O)[O-] ZINC000051475222 454626664 /nfs/dbraw/zinc/62/66/64/454626664.db2.gz ZUMKGJRXWYKUMC-UHFFFAOYSA-N 1 0 339.395 3.167 20 5 EGBDRO O=C(CC[N@@H+]1CC[C@@H](c2ccccc2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000123347453 454627719 /nfs/dbraw/zinc/62/77/19/454627719.db2.gz AGMRXPIGSQRJAY-MRXNPFEDSA-N 1 0 339.395 3.413 20 5 EGBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000123357645 454629668 /nfs/dbraw/zinc/62/96/68/454629668.db2.gz OFEOUUCNOYUBFY-ZBFHGGJFSA-N 1 0 339.395 3.411 20 5 EGBDRO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000052486027 454676679 /nfs/dbraw/zinc/67/66/79/454676679.db2.gz GLMXDKMBLIHFHU-MRXNPFEDSA-N 1 0 348.334 3.357 20 5 EGBDRO COc1ccc(-c2ccc(C[NH2+][C@@H]3C[C@H]4CC[C@@H]3O4)o2)c([N+](=O)[O-])c1 ZINC000152883151 454737185 /nfs/dbraw/zinc/73/71/85/454737185.db2.gz QURSTWQBSPRFAK-DWQUBVKVSA-N 1 0 344.367 3.273 20 5 EGBDRO C[NH+](C)CCC1CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000176492768 454752143 /nfs/dbraw/zinc/75/21/43/454752143.db2.gz KZUWTGBFGQYMOL-UHFFFAOYSA-N 1 0 339.823 3.052 20 5 EGBDRO CCOCC[N@H+](CC)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000107677703 454768530 /nfs/dbraw/zinc/76/85/30/454768530.db2.gz VDDADLLQEKFUEV-UHFFFAOYSA-N 1 0 333.388 3.151 20 5 EGBDRO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CC[NH+](CC2CCCCC2)CC1 ZINC000125419721 454820801 /nfs/dbraw/zinc/82/08/01/454820801.db2.gz CVVJDSGUSIPFSY-UHFFFAOYSA-N 1 0 349.406 3.072 20 5 EGBDRO Cc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])o2)[NH+]2CCCC2)cc1 ZINC000143263550 454841874 /nfs/dbraw/zinc/84/18/74/454841874.db2.gz ZRECIEZPMLUHEK-OAHLLOKOSA-N 1 0 343.383 3.063 20 5 EGBDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000110976838 454855580 /nfs/dbraw/zinc/85/55/80/454855580.db2.gz GPYFALPESRCFMP-OAHLLOKOSA-N 1 0 347.459 3.154 20 5 EGBDRO C[N@@H+]1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)C2(CCCCC2)C1 ZINC000154157169 454869596 /nfs/dbraw/zinc/86/95/96/454869596.db2.gz PXFSXHQTVGBBIS-UHFFFAOYSA-N 1 0 345.443 3.004 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(n2ccnc2)CC1 ZINC000177678346 454890814 /nfs/dbraw/zinc/89/08/14/454890814.db2.gz KBACOAOOORXPRV-UHFFFAOYSA-N 1 0 330.388 3.027 20 5 EGBDRO CCCC[NH2+]Cc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000113311648 454922242 /nfs/dbraw/zinc/92/22/42/454922242.db2.gz NAWVOVBJRWDCPH-UHFFFAOYSA-N 1 0 336.310 3.434 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)c1ccc(C)cc1 ZINC000182324337 455488997 /nfs/dbraw/zinc/48/89/97/455488997.db2.gz JIWRFMONXKDFIW-CYBMUJFWSA-N 1 0 343.383 3.201 20 5 EGBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N1CC[NH+](C2CCCCC2)CC1 ZINC000178585384 454963235 /nfs/dbraw/zinc/96/32/35/454963235.db2.gz NFUVPRAUPCLUDG-UHFFFAOYSA-N 1 0 332.404 3.077 20 5 EGBDRO C[C@@H]([NH3+])C1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 ZINC000178823031 454982076 /nfs/dbraw/zinc/98/20/76/454982076.db2.gz BDUZKOOONGGVTI-SNVBAGLBSA-N 1 0 333.413 3.009 20 5 EGBDRO CCOCCC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000115521508 455018647 /nfs/dbraw/zinc/01/86/47/455018647.db2.gz XMUVFZPUCOEKEC-CJNGLKHVSA-N 1 0 339.411 3.283 20 5 EGBDRO C[C@H]1C[C@H](c2ccccc2)C[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000115554089 455020198 /nfs/dbraw/zinc/02/01/98/455020198.db2.gz VTFKHPVVVOSDRE-GUYCJALGSA-N 1 0 339.395 3.072 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCC(=O)NC1CCCCC1 ZINC000128703224 455078298 /nfs/dbraw/zinc/07/82/98/455078298.db2.gz MYYZRFVRFCMKOQ-CQSZACIVSA-N 1 0 333.432 3.393 20 5 EGBDRO COC(=O)C[C@H]1CCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000179890071 455095196 /nfs/dbraw/zinc/09/51/96/455095196.db2.gz DQFSTJCLIUZVDE-OAHLLOKOSA-N 1 0 344.367 3.382 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CC[C@]4(CCOC4)C3)o2)c1 ZINC000180137376 455138543 /nfs/dbraw/zinc/13/85/43/455138543.db2.gz GORGOLXKIVAFLI-SFHVURJKSA-N 1 0 328.368 3.467 20 5 EGBDRO C[C@@](O)(C[NH2+]Cc1csc([N+](=O)[O-])c1)c1ccccc1Cl ZINC000156701189 455145590 /nfs/dbraw/zinc/14/55/90/455145590.db2.gz YMAMDFLBIQIWKK-CQSZACIVSA-N 1 0 326.805 3.307 20 5 EGBDRO C[C@@](O)(C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)c1cccs1 ZINC000156881798 455155013 /nfs/dbraw/zinc/15/50/13/455155013.db2.gz YRNRNEQYIWAPDG-CRAIPNDOSA-N 1 0 346.452 3.475 20 5 EGBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000172651903 455168231 /nfs/dbraw/zinc/16/82/31/455168231.db2.gz CJPDVSMONHUGCY-UHFFFAOYSA-N 1 0 332.404 3.077 20 5 EGBDRO CCC[N@@H+]1CC[C@H](CN[C@H](C)c2ccc(OCC)c([N+](=O)[O-])c2)C1 ZINC000245502915 455315534 /nfs/dbraw/zinc/31/55/34/455315534.db2.gz HCDLFQKOVVCOES-HUUCEWRRSA-N 1 0 335.448 3.376 20 5 EGBDRO Cc1cnc(N2CCN([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)s1 ZINC000265423298 455322277 /nfs/dbraw/zinc/32/22/77/455322277.db2.gz JYWKSWBNNOXABR-CYBMUJFWSA-N 1 0 332.429 3.243 20 5 EGBDRO Cc1cnc(N2CCN([C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)s1 ZINC000265423300 455322327 /nfs/dbraw/zinc/32/23/27/455322327.db2.gz JYWKSWBNNOXABR-ZDUSSCGKSA-N 1 0 332.429 3.243 20 5 EGBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000184685758 455427687 /nfs/dbraw/zinc/42/76/87/455427687.db2.gz PNTRRAUTJKTRFK-NVXWUHKLSA-N 1 0 347.459 3.154 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](CC(N)=O)C1CCCCC1 ZINC000182068247 455428507 /nfs/dbraw/zinc/42/85/07/455428507.db2.gz VDHXXIVLWTVFFK-GUYCJALGSA-N 1 0 333.432 3.378 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1[C@H](C)C[C@@H]2CCCC[C@H]21 ZINC000246223748 455452344 /nfs/dbraw/zinc/45/23/44/455452344.db2.gz ZUTWOJZLNAXEMK-DVOMOZLQSA-N 1 0 347.415 3.195 20 5 EGBDRO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000184850957 455460248 /nfs/dbraw/zinc/46/02/48/455460248.db2.gz XRWPVEAMXKZNEX-OAHLLOKOSA-N 1 0 345.399 3.074 20 5 EGBDRO CCc1ccc(C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000266893697 455470596 /nfs/dbraw/zinc/47/05/96/455470596.db2.gz FYBWLDNPRNJGKF-INIZCTEOSA-N 1 0 333.432 3.104 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000182394381 455505186 /nfs/dbraw/zinc/50/51/86/455505186.db2.gz IMNPMHLKUOBEPA-CQSZACIVSA-N 1 0 348.424 3.028 20 5 EGBDRO C[NH+](C)CCCOC1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000267184941 455513090 /nfs/dbraw/zinc/51/30/90/455513090.db2.gz LEISKQDELKEHDB-UHFFFAOYSA-N 1 0 341.839 3.185 20 5 EGBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000601022888 460679224 /nfs/dbraw/zinc/67/92/24/460679224.db2.gz SHGVJJPOJWQTBQ-HZSPNIEDSA-N 1 0 349.406 3.211 20 5 EGBDRO COc1ccc(C[NH2+]C[C@@H]2CCO[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000192377830 455601513 /nfs/dbraw/zinc/60/15/13/455601513.db2.gz CVPBSCLHESQFHA-LPHOPBHVSA-N 1 0 342.395 3.471 20 5 EGBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1Nc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000271344970 455605004 /nfs/dbraw/zinc/60/50/04/455605004.db2.gz NBEBQTUYKNSCEP-BXKDBHETSA-N 1 0 327.331 3.091 20 5 EGBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000271450912 455641788 /nfs/dbraw/zinc/64/17/88/455641788.db2.gz DOGUYVNHIKRJFG-UKRRQHHQSA-N 1 0 347.415 3.003 20 5 EGBDRO CSC[C@@H]1CCC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000292368623 455642997 /nfs/dbraw/zinc/64/29/97/455642997.db2.gz ISBQYSYPFFRYPP-GFCCVEGCSA-N 1 0 348.428 3.220 20 5 EGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1cnn(C)c1C ZINC000271471562 455649780 /nfs/dbraw/zinc/64/97/80/455649780.db2.gz IJLQHUYREGUKJN-CQSZACIVSA-N 1 0 334.445 3.297 20 5 EGBDRO C[C@@H]1C[N@H+](CCCNc2ccc3cc([N+](=O)[O-])ccc3n2)CCCO1 ZINC000277813029 455674399 /nfs/dbraw/zinc/67/43/99/455674399.db2.gz YJKUWSZJGUREHY-CQSZACIVSA-N 1 0 344.415 3.056 20 5 EGBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000292570486 455700767 /nfs/dbraw/zinc/70/07/67/455700767.db2.gz FWBRSJLRUQRYLF-LLVKDONJSA-N 1 0 327.812 3.098 20 5 EGBDRO Cc1nc(N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)ccc1[N+](=O)[O-] ZINC000268503384 455701038 /nfs/dbraw/zinc/70/10/38/455701038.db2.gz QKDMBCRUPWMQMX-INIZCTEOSA-N 1 0 332.448 3.247 20 5 EGBDRO C[C@@H](c1ccc(F)cc1)[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248373664 455708437 /nfs/dbraw/zinc/70/84/37/455708437.db2.gz KMVAIAXBMYNGEP-XJKSGUPXSA-N 1 0 348.374 3.167 20 5 EGBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCSC[C@H](C)C1 ZINC000249030703 455741739 /nfs/dbraw/zinc/74/17/39/455741739.db2.gz LYVXHEZRZNNOLA-VXGBXAGGSA-N 1 0 348.428 3.391 20 5 EGBDRO CCOCCC[N@@H+]1CC[C@H](NCc2cccc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000249459036 455756716 /nfs/dbraw/zinc/75/67/16/455756716.db2.gz QFSXZIROJOVLEI-YJBOKZPZSA-N 1 0 349.475 3.130 20 5 EGBDRO C[C@@H]1C[C@@H](Nc2cc(C(F)(F)F)ncc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000278356819 455827907 /nfs/dbraw/zinc/82/79/07/455827907.db2.gz JYJCKZRULVIUON-RKDXNWHRSA-N 1 0 330.310 3.046 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000194408803 455837808 /nfs/dbraw/zinc/83/78/08/455837808.db2.gz PKJMHCNMVCYNRQ-UHFFFAOYSA-N 1 0 333.432 3.145 20 5 EGBDRO C[NH+]1CCC([C@@H]2CCN(c3ccc([N+](=O)[O-])c4cccnc43)C2)CC1 ZINC000270156115 455890542 /nfs/dbraw/zinc/89/05/42/455890542.db2.gz ISDLVBNGSNVJHP-OAHLLOKOSA-N 1 0 340.427 3.311 20 5 EGBDRO COc1ccc(-c2ccc(CN3CC[C@@](C)(C[NH3+])C3)o2)c([N+](=O)[O-])c1 ZINC000261617017 455915287 /nfs/dbraw/zinc/91/52/87/455915287.db2.gz BTGOUHPWRRNMCX-SFHVURJKSA-N 1 0 345.399 3.034 20 5 EGBDRO CO[C@@]1(C)CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000280258720 455930279 /nfs/dbraw/zinc/93/02/79/455930279.db2.gz CAJCVYKDHCOVIO-SFHVURJKSA-N 1 0 349.431 3.123 20 5 EGBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000272435595 455951090 /nfs/dbraw/zinc/95/10/90/455951090.db2.gz IBKALZZXWJUMGO-GUYCJALGSA-N 1 0 345.443 3.059 20 5 EGBDRO O=[N+]([O-])c1cnc(NCC2CC[NH+](Cc3cccs3)CC2)s1 ZINC000195511802 455973879 /nfs/dbraw/zinc/97/38/79/455973879.db2.gz CMBVYBQKMLYDSF-UHFFFAOYSA-N 1 0 338.458 3.437 20 5 EGBDRO CC[C@H]1CCC[C@@H]1[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000286148660 455988223 /nfs/dbraw/zinc/98/82/23/455988223.db2.gz NLAZQSYYXLFFHB-JSGCOSHPSA-N 1 0 335.404 3.100 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)C1CCC(C)CC1 ZINC000198202582 456000895 /nfs/dbraw/zinc/00/08/95/456000895.db2.gz ZJEKOGIHMXMKHW-UHFFFAOYSA-N 1 0 335.404 3.052 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@H](COc3ccccc3)C2)c1 ZINC000272608451 456012897 /nfs/dbraw/zinc/01/28/97/456012897.db2.gz RZCGITCEJUEEQP-HNAYVOBHSA-N 1 0 342.395 3.029 20 5 EGBDRO CNC(=O)CC[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000286413803 456042939 /nfs/dbraw/zinc/04/29/39/456042939.db2.gz KBONPOCGGZJUHN-ZDUSSCGKSA-N 1 0 339.823 3.129 20 5 EGBDRO C[C@H]1CCC[C@H](CO)[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000272696780 456043104 /nfs/dbraw/zinc/04/31/04/456043104.db2.gz VJWMHDKICHALSJ-XJKSGUPXSA-N 1 0 345.399 3.028 20 5 EGBDRO Cc1ccnc(NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000301276730 456078260 /nfs/dbraw/zinc/07/82/60/456078260.db2.gz JBEQEDIGRSLIOR-INIZCTEOSA-N 1 0 326.400 3.375 20 5 EGBDRO COc1ccc(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000272921728 456113103 /nfs/dbraw/zinc/11/31/03/456113103.db2.gz MVZVJXFAGFPRJJ-CYBMUJFWSA-N 1 0 347.415 3.197 20 5 EGBDRO CC[NH+](CC)[C@H]1CCN(c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000301461180 456121754 /nfs/dbraw/zinc/12/17/54/456121754.db2.gz JCCVYCDWHXYNOR-LBPRGKRZSA-N 1 0 342.237 3.278 20 5 EGBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1ccc([N+](=O)[O-])cn1 ZINC000301604567 456159488 /nfs/dbraw/zinc/15/94/88/456159488.db2.gz XSJMYYKYZXACBW-PBHICJAKSA-N 1 0 326.400 3.312 20 5 EGBDRO C[NH+](C)[C@H]1CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000289882267 456166671 /nfs/dbraw/zinc/16/66/71/456166671.db2.gz ZQCMKJGCMYMFPW-NSHDSACASA-N 1 0 340.811 3.196 20 5 EGBDRO C[C@@H]1C[N@@H+](CCCCNc2cccc(F)c2[N+](=O)[O-])C[C@H](C)O1 ZINC000301724689 456199272 /nfs/dbraw/zinc/19/92/72/456199272.db2.gz PABFKXWWWDQYJB-BETUJISGSA-N 1 0 325.384 3.035 20 5 EGBDRO CC(C)C[N@@H+]1CCC[C@@H](CNc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000301782881 456213258 /nfs/dbraw/zinc/21/32/58/456213258.db2.gz NRYMKVVTWUPKNJ-LBPRGKRZSA-N 1 0 326.828 3.423 20 5 EGBDRO C[C@H](CCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)[NH+]1CCCCC1 ZINC000273214582 456218105 /nfs/dbraw/zinc/21/81/05/456218105.db2.gz QQEIPEFWYCOVLI-OAHLLOKOSA-N 1 0 347.459 3.253 20 5 EGBDRO CC(C)C[N@@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000301807175 456219399 /nfs/dbraw/zinc/21/93/99/456219399.db2.gz YGNZIWICYMMFDR-CYBMUJFWSA-N 1 0 336.392 3.283 20 5 EGBDRO C[NH2+]CC1CCN(C(=O)c2cc3ccccc3c3cccnc23)CC1 ZINC000237106653 456233159 /nfs/dbraw/zinc/23/31/59/456233159.db2.gz LTAHEEGGEMHCFR-UHFFFAOYSA-N 1 0 333.435 3.460 20 5 EGBDRO O=[N+]([O-])c1ccsc1NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000302028165 456271354 /nfs/dbraw/zinc/27/13/54/456271354.db2.gz AUKOPJKGBBIUNA-HNNXBMFYSA-N 1 0 347.440 3.225 20 5 EGBDRO Cc1cc(N2CCC(CCC[NH+]3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000302032216 456272541 /nfs/dbraw/zinc/27/25/41/456272541.db2.gz NSSAIDDEKWHOMV-UHFFFAOYSA-N 1 0 347.459 3.232 20 5 EGBDRO Cc1cc(N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000302036783 456273222 /nfs/dbraw/zinc/27/32/22/456273222.db2.gz UZKOEWKIPGMAPO-GDBMZVCRSA-N 1 0 340.427 3.372 20 5 EGBDRO CCOC(=O)[C@@H]1CCCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000302094750 456285868 /nfs/dbraw/zinc/28/58/68/456285868.db2.gz RKUQZKLKXRXSCR-CYBMUJFWSA-N 1 0 343.383 3.231 20 5 EGBDRO CC[NH+]1C[C@@H](C)N(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H](C)C1 ZINC000347697321 456310700 /nfs/dbraw/zinc/31/07/00/456310700.db2.gz COHULBRYMHDVTB-ZIAGYGMSSA-N 1 0 344.415 3.164 20 5 EGBDRO Cc1ccc([C@@H](C)NC(=O)N(C)CCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000281807003 456326510 /nfs/dbraw/zinc/32/65/10/456326510.db2.gz IFMURDNCOKIBJX-OAHLLOKOSA-N 1 0 348.447 3.092 20 5 EGBDRO C[NH+](C)[C@H](CNc1c2c(ccc1[N+](=O)[O-])NCC2)c1ccccc1 ZINC000302457964 456345341 /nfs/dbraw/zinc/34/53/41/456345341.db2.gz QTWNLKILWVBWAO-QGZVFWFLSA-N 1 0 326.400 3.278 20 5 EGBDRO COc1ccc(C[NH2+][C@H]2Cc3[nH]c4ccccc4c3C2)cc1[N+](=O)[O-] ZINC000281997195 456386588 /nfs/dbraw/zinc/38/65/88/456386588.db2.gz PZSOJVHEOFWXAS-CYBMUJFWSA-N 1 0 337.379 3.342 20 5 EGBDRO CCCN(CCC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000276203234 456412030 /nfs/dbraw/zinc/41/20/30/456412030.db2.gz KHLRNPSUQSLNAG-UHFFFAOYSA-N 1 0 327.812 3.052 20 5 EGBDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1Nc1ncc([N+](=O)[O-])cn1 ZINC000282140288 456424770 /nfs/dbraw/zinc/42/47/70/456424770.db2.gz ATJIFWOTTCWSQP-MRXNPFEDSA-N 1 0 341.415 3.097 20 5 EGBDRO C[N@@H+]1CC[C@@H]2CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)[C@H]2C1 ZINC000352985822 456429439 /nfs/dbraw/zinc/42/94/39/456429439.db2.gz LLLRZEDGVBWMFJ-KDOFPFPSSA-N 1 0 341.411 3.381 20 5 EGBDRO O=[N+]([O-])c1cnc(NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)nc1 ZINC000290868248 456453287 /nfs/dbraw/zinc/45/32/87/456453287.db2.gz RJKXBQIAVKCVEE-MRXNPFEDSA-N 1 0 341.415 3.099 20 5 EGBDRO COC(=O)c1cc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)n(C)c1C ZINC000291165901 456551423 /nfs/dbraw/zinc/55/14/23/456551423.db2.gz JCHGMBOWFUYSSK-GFCCVEGCSA-N 1 0 345.399 3.188 20 5 EGBDRO COc1cccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000298857062 456556362 /nfs/dbraw/zinc/55/63/62/456556362.db2.gz FNEKRBINHANAFB-OLZOCXBDSA-N 1 0 343.383 3.281 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@]1(CO)C[C@@H]1c1ccccc1 ZINC000353222804 456570038 /nfs/dbraw/zinc/57/00/38/456570038.db2.gz QWTSBCPSQRNFSV-FLXFGSMXSA-N 1 0 338.407 3.364 20 5 EGBDRO CC1(C)C[C@H]([NH2+][C@H]2CC(=O)N3CCCC[C@@H]23)c2cc([N+](=O)[O-])ccc21 ZINC000338021469 456655093 /nfs/dbraw/zinc/65/50/93/456655093.db2.gz UHXFSIHKCAMREI-ULQDDVLXSA-N 1 0 343.427 3.060 20 5 EGBDRO CC[C@H]1[C@H](C)CC[N@@H+]1CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000299343629 456663522 /nfs/dbraw/zinc/66/35/22/456663522.db2.gz OXXOQPYSMJVCKY-DOMZBBRYSA-N 1 0 335.404 3.052 20 5 EGBDRO C[C@@H]([NH2+][C@@H](C)c1ccc2[nH]c(=O)[nH]c2c1)c1ccc([N+](=O)[O-])cc1 ZINC000324614468 456671055 /nfs/dbraw/zinc/67/10/55/456671055.db2.gz LWRFGZUWQMJNHB-MNOVXSKESA-N 1 0 326.356 3.176 20 5 EGBDRO COc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000299375612 456672849 /nfs/dbraw/zinc/67/28/49/456672849.db2.gz FZWRAKGUBPOHJN-OLZOCXBDSA-N 1 0 343.383 3.281 20 5 EGBDRO COc1cccc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c1OC ZINC000282966657 456677213 /nfs/dbraw/zinc/67/72/13/456677213.db2.gz IIGUKUBZFFWQIP-UHFFFAOYSA-N 1 0 330.384 3.287 20 5 EGBDRO CCCCCC(=O)NC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000299564484 456729628 /nfs/dbraw/zinc/72/96/28/456729628.db2.gz OFPARRLAPKSGTE-UHFFFAOYSA-N 1 0 347.459 3.298 20 5 EGBDRO COc1ccc(CC[C@@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1O ZINC000277282435 456759285 /nfs/dbraw/zinc/75/92/85/456759285.db2.gz SSBCKYPVMHTLTJ-CQSZACIVSA-N 1 0 344.411 3.462 20 5 EGBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000301188685 456818075 /nfs/dbraw/zinc/81/80/75/456818075.db2.gz LFNOKCDITQJECH-QGZVFWFLSA-N 1 0 340.427 3.275 20 5 EGBDRO COCCOc1ccc(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000283691692 456824689 /nfs/dbraw/zinc/82/46/89/456824689.db2.gz AILWUNOSFMNBNL-CYBMUJFWSA-N 1 0 345.399 3.053 20 5 EGBDRO Cc1ccnc(NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000301245829 456832707 /nfs/dbraw/zinc/83/27/07/456832707.db2.gz ANYQHGDXCJLEBZ-CQSZACIVSA-N 1 0 326.400 3.157 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1CN(C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000353746307 456884963 /nfs/dbraw/zinc/88/49/63/456884963.db2.gz JVJUTMWABRUJJG-ZBFHGGJFSA-N 1 0 335.448 3.298 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1CN(C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000353746305 456885815 /nfs/dbraw/zinc/88/58/15/456885815.db2.gz JVJUTMWABRUJJG-GOEBONIOSA-N 1 0 335.448 3.298 20 5 EGBDRO CCOc1ccc([C@H](C)[NH2+]CCCN2CCCCC2=O)cc1[N+](=O)[O-] ZINC000349199333 456911884 /nfs/dbraw/zinc/91/18/84/456911884.db2.gz DJYVVPUANFFWOM-AWEZNQCLSA-N 1 0 349.431 3.047 20 5 EGBDRO CCCC[NH+]1CCC(Nc2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000341720748 456914825 /nfs/dbraw/zinc/91/48/25/456914825.db2.gz ITMWMUWJNQSBGJ-UHFFFAOYSA-N 1 0 335.433 3.276 20 5 EGBDRO Cc1ccccc1C[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000345114627 456930677 /nfs/dbraw/zinc/93/06/77/456930677.db2.gz ALFHTGIJMUJXFJ-UHFFFAOYSA-N 1 0 327.384 3.364 20 5 EGBDRO COC1CC[NH+](C2(CNc3ncc([N+](=O)[O-])cc3C)CCCC2)CC1 ZINC000341918241 457000594 /nfs/dbraw/zinc/00/05/94/457000594.db2.gz OEOTZFPGJBCMMC-UHFFFAOYSA-N 1 0 348.447 3.134 20 5 EGBDRO CC[C@H]([NH2+]Cc1ccc2c(c1)C(=O)NCC2)c1cccc([N+](=O)[O-])c1 ZINC000349698414 457019424 /nfs/dbraw/zinc/01/94/24/457019424.db2.gz YOCAZSCZQOCWSM-SFHVURJKSA-N 1 0 339.395 3.122 20 5 EGBDRO C[C@H]([NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C(=O)N1CCCCC1 ZINC000359026672 457048672 /nfs/dbraw/zinc/04/86/72/457048672.db2.gz FPZAUTZTHKMIEL-SUMWQHHRSA-N 1 0 345.443 3.308 20 5 EGBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000342041126 457074210 /nfs/dbraw/zinc/07/42/10/457074210.db2.gz CCFJBRIBGJKJBX-GFCCVEGCSA-N 1 0 349.456 3.062 20 5 EGBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000346734510 457136688 /nfs/dbraw/zinc/13/66/88/457136688.db2.gz YQDLTTHVXPJIPB-QWHCGFSZSA-N 1 0 334.420 3.158 20 5 EGBDRO O=[N+]([O-])c1cnn(CC[NH2+]C2(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000350057722 457157459 /nfs/dbraw/zinc/15/74/59/457157459.db2.gz AECZPAKINXPCFN-UHFFFAOYSA-N 1 0 340.305 3.089 20 5 EGBDRO CCOc1cc(N2CCN(c3cc[nH+]c(C)c3)CC2)ccc1[N+](=O)[O-] ZINC000359950545 457166447 /nfs/dbraw/zinc/16/64/47/457166447.db2.gz RYFFYJBROGROCA-UHFFFAOYSA-N 1 0 342.399 3.024 20 5 EGBDRO C[C@@H](NC(=O)c1ccccc1C[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC000362982558 457183611 /nfs/dbraw/zinc/18/36/11/457183611.db2.gz NBQKEQVRKWJRBK-CYBMUJFWSA-N 1 0 327.384 3.147 20 5 EGBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[C@H]1C ZINC000354389561 457194194 /nfs/dbraw/zinc/19/41/94/457194194.db2.gz JBWXYFNNLKSCRR-BXUZGUMPSA-N 1 0 339.823 3.193 20 5 EGBDRO Cc1cc(C(=O)N2CC[NH+](C3CCC(C)CC3)CC2)ccc1[N+](=O)[O-] ZINC000360002718 457195211 /nfs/dbraw/zinc/19/52/11/457195211.db2.gz GIUCNHLWOUIYQG-UHFFFAOYSA-N 1 0 345.443 3.240 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CC[C@@H](CC4CC4)C3)n2)c1 ZINC000339676613 457206786 /nfs/dbraw/zinc/20/67/86/457206786.db2.gz WLJSIOAMKFBMLF-ZDUSSCGKSA-N 1 0 328.372 3.267 20 5 EGBDRO Cc1c(NC(=O)CC[N@@H+]2CC[C@H](CC3CC3)C2)cccc1[N+](=O)[O-] ZINC000339685510 457212346 /nfs/dbraw/zinc/21/23/46/457212346.db2.gz CUHICCRIIOCYJX-OAHLLOKOSA-N 1 0 331.416 3.354 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@@H]1O ZINC000331855494 457261705 /nfs/dbraw/zinc/26/17/05/457261705.db2.gz FGEAVKAYNWYKLY-RUGDWHBFSA-N 1 0 348.443 3.365 20 5 EGBDRO CCN(CCC[NH+](CC)CC)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000357114473 457329753 /nfs/dbraw/zinc/32/97/53/457329753.db2.gz WNVRCAITCQAYKH-UHFFFAOYSA-N 1 0 346.431 3.270 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000347313049 457346271 /nfs/dbraw/zinc/34/62/71/457346271.db2.gz NPJXMEUWGZILEH-QAPCUYQASA-N 1 0 347.459 3.441 20 5 EGBDRO C[C@H]([NH2+][C@H]1CC[C@@H](C(=O)N2CCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000373897785 457390372 /nfs/dbraw/zinc/39/03/72/457390372.db2.gz COBWDQJPVOIFPJ-IMJJTQAJSA-N 1 0 331.416 3.037 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)n1 ZINC000360868486 457394658 /nfs/dbraw/zinc/39/46/58/457394658.db2.gz BKHHPCPKCSLHJK-GDBMZVCRSA-N 1 0 326.400 3.373 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)n1 ZINC000360872659 457397634 /nfs/dbraw/zinc/39/76/34/457397634.db2.gz POAMSATUVGSVGY-INIZCTEOSA-N 1 0 326.400 3.375 20 5 EGBDRO C[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)CC[C@@H]1CCCO1 ZINC000342612951 457402900 /nfs/dbraw/zinc/40/29/00/457402900.db2.gz ZDSALKQVWKCTIM-INIZCTEOSA-N 1 0 345.399 3.293 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCC[C@@H]3C3CCC3)n2)c1 ZINC000373970930 457420132 /nfs/dbraw/zinc/42/01/32/457420132.db2.gz XPQUGRMCOBJRKH-OAHLLOKOSA-N 1 0 328.372 3.409 20 5 EGBDRO CC(C)[NH+](CCN(C)C(=O)c1ccc([N+](=O)[O-])cc1Cl)C(C)C ZINC000356173579 457506774 /nfs/dbraw/zinc/50/67/74/457506774.db2.gz CVEIFAJCILKVLE-UHFFFAOYSA-N 1 0 341.839 3.439 20 5 EGBDRO O=[N+]([O-])c1ccc(CN2CC[NH+](CCc3cccs3)CC2)c(F)c1 ZINC000352691205 457535095 /nfs/dbraw/zinc/53/50/95/457535095.db2.gz KDMGJCBFUCCTKK-UHFFFAOYSA-N 1 0 349.431 3.156 20 5 EGBDRO CC[N@@H+](Cc1ccc(Br)cc1[N+](=O)[O-])C[C@H](C)OC ZINC000425450132 457559933 /nfs/dbraw/zinc/55/99/33/457559933.db2.gz UOGXVKBDMQXSGM-JTQLQIEISA-N 1 0 331.210 3.214 20 5 EGBDRO C[C@]1(NCc2csc([N+](=O)[O-])c2)CC[N@H+](Cc2ccccc2)C1 ZINC000406121691 457554114 /nfs/dbraw/zinc/55/41/14/457554114.db2.gz RRDXWWRQEDIGQY-KRWDZBQOSA-N 1 0 331.441 3.411 20 5 EGBDRO CCc1cnccc1[C@@H](C)[NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000361134698 457604834 /nfs/dbraw/zinc/60/48/34/457604834.db2.gz IDUIWNOYJBKITQ-CHWSQXEVSA-N 1 0 342.399 3.230 20 5 EGBDRO CSc1ccc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)s1 ZINC000356413940 457613810 /nfs/dbraw/zinc/61/38/10/457613810.db2.gz BELLMYMRPHTQDR-UHFFFAOYSA-N 1 0 338.458 3.412 20 5 EGBDRO CCN(Cc1ccc(C[NH+](C)C)cc1)c1ncc(C)cc1[N+](=O)[O-] ZINC000361259145 457670034 /nfs/dbraw/zinc/67/00/34/457670034.db2.gz BGUGHCPQHIKZPP-UHFFFAOYSA-N 1 0 328.416 3.386 20 5 EGBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000357808774 457697780 /nfs/dbraw/zinc/69/77/80/457697780.db2.gz BOTHLCWXGJGMFB-KGLIPLIRSA-N 1 0 336.436 3.075 20 5 EGBDRO CSC1(C[NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000433077032 457752700 /nfs/dbraw/zinc/75/27/00/457752700.db2.gz QBXKUBOEOVNEAZ-GFCCVEGCSA-N 1 0 337.445 3.187 20 5 EGBDRO C[C@@H]1C[C@H](C)CC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000443656471 457798968 /nfs/dbraw/zinc/79/89/68/457798968.db2.gz LOXXCMYAFBZNTH-CKEIUWERSA-N 1 0 331.416 3.068 20 5 EGBDRO CCOc1cc(C[NH+]2CCC(c3c[nH]nc3C)CC2)ccc1[N+](=O)[O-] ZINC000375385703 457907963 /nfs/dbraw/zinc/90/79/63/457907963.db2.gz AURXEKWLJCLZBJ-UHFFFAOYSA-N 1 0 344.415 3.405 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@@H+]1CCCC(C)(C)C1 ZINC000444819098 457983906 /nfs/dbraw/zinc/98/39/06/457983906.db2.gz QHINKXUCMKWAQK-UHFFFAOYSA-N 1 0 334.420 3.147 20 5 EGBDRO Cc1ncc2c(n1)CC[C@@H]([NH2+][C@H]1CCCc3ccc([N+](=O)[O-])cc31)C2 ZINC000375712504 458032997 /nfs/dbraw/zinc/03/29/97/458032997.db2.gz SGZCODMXIKGWES-BEFAXECRSA-N 1 0 338.411 3.218 20 5 EGBDRO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000362334721 458110308 /nfs/dbraw/zinc/11/03/08/458110308.db2.gz JARSIZANUFEQNT-KRZKXXONSA-N 1 0 326.400 3.487 20 5 EGBDRO Cn1ccnc1[C@@H]1CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000376041056 458173519 /nfs/dbraw/zinc/17/35/19/458173519.db2.gz DPQOIGMTCLVYRL-IEXSPKMKSA-N 1 0 326.400 3.221 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H](CO)CC(F)F)s2)cc1 ZINC000428643399 458183389 /nfs/dbraw/zinc/18/33/89/458183389.db2.gz QBIOKYBMUCWIQJ-NSHDSACASA-N 1 0 342.367 3.429 20 5 EGBDRO CCOC(=O)[C@]1(C(C)C)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000446880679 458240123 /nfs/dbraw/zinc/24/01/23/458240123.db2.gz GWRILIMFGJOLMP-QGZVFWFLSA-N 1 0 338.379 3.145 20 5 EGBDRO CCOCCC[N@@H+]1CC[C@@H](Nc2cc(C)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000447080126 458262298 /nfs/dbraw/zinc/26/22/98/458262298.db2.gz YZKKAKORUMTFNJ-JKSUJKDBSA-N 1 0 335.448 3.452 20 5 EGBDRO C[C@H]1C[C@H]1c1ccc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)o1 ZINC000369557062 458264110 /nfs/dbraw/zinc/26/41/10/458264110.db2.gz RVUYJAVRZIOHNK-SWLSCSKDSA-N 1 0 330.388 3.345 20 5 EGBDRO C[C@H]1CCCC[N@@H+]1CCNc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000436309716 458287172 /nfs/dbraw/zinc/28/71/72/458287172.db2.gz PKERTHVJCJUOBI-JTQLQIEISA-N 1 0 332.326 3.295 20 5 EGBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]C2CCC(F)(F)CC2)n1 ZINC000447577704 458315027 /nfs/dbraw/zinc/31/50/27/458315027.db2.gz BDFMIVCZTYMUKJ-STQMWFEESA-N 1 0 328.363 3.443 20 5 EGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@H]2CCOC3(CCCC3)C2)n1 ZINC000447579809 458315038 /nfs/dbraw/zinc/31/50/38/458315038.db2.gz LQAHCLWGQXDZEF-HRCADAONSA-N 1 0 348.447 3.356 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000376589687 458346557 /nfs/dbraw/zinc/34/65/57/458346557.db2.gz RRTUBHZLFIAVDC-LSDHHAIUSA-N 1 0 346.431 3.302 20 5 EGBDRO COC(=O)[C@H]1CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])[C@H]1C(C)C ZINC000430142061 458409347 /nfs/dbraw/zinc/40/93/47/458409347.db2.gz SUHVWLPDRQZULL-LKEBIXNSSA-N 1 0 332.400 3.128 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1CN1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000430203830 458420616 /nfs/dbraw/zinc/42/06/16/458420616.db2.gz JIMQKENLQYTJEQ-RKVPGOIHSA-N 1 0 347.459 3.441 20 5 EGBDRO CC[C@@H](CO)[N@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430205538 458421098 /nfs/dbraw/zinc/42/10/98/458421098.db2.gz UHJRPPXZWZUMQL-KRWDZBQOSA-N 1 0 344.411 3.377 20 5 EGBDRO [NH3+][C@H](CC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccccc1 ZINC000423722109 458475831 /nfs/dbraw/zinc/47/58/31/458475831.db2.gz JVFLDQOIJHDMKI-GOSISDBHSA-N 1 0 339.395 3.176 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2ccc(CN3C[C@H]4CCC[C@@H](C3)[NH2+]4)o2)c1 ZINC000437771677 458490965 /nfs/dbraw/zinc/49/09/65/458490965.db2.gz ITSIVUWNJZOWAQ-GASCZTMLSA-N 1 0 327.384 3.181 20 5 EGBDRO CCc1ccccc1[C@H]([NH3+])CNC(=O)c1ccc(CC)c([N+](=O)[O-])c1 ZINC000423942494 458519447 /nfs/dbraw/zinc/51/94/47/458519447.db2.gz PRZJMCQJCOURJO-QGZVFWFLSA-N 1 0 341.411 3.149 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000423967360 458524782 /nfs/dbraw/zinc/52/47/82/458524782.db2.gz JFONUMWBRVMKOH-QGZVFWFLSA-N 1 0 341.411 3.422 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)C1CCC(C)(C)CC1 ZINC000438480707 458584587 /nfs/dbraw/zinc/58/45/87/458584587.db2.gz AYQIJKQIKQBBBQ-UHFFFAOYSA-N 1 0 349.431 3.443 20 5 EGBDRO C[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CCC(C)(C)CC1 ZINC000438489142 458585375 /nfs/dbraw/zinc/58/53/75/458585375.db2.gz XCKVECUSNKPNLO-UHFFFAOYSA-N 1 0 345.443 3.385 20 5 EGBDRO COc1cc(NC[C@H](Cc2ccccc2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000462124548 458596904 /nfs/dbraw/zinc/59/69/04/458596904.db2.gz VXYUINGTZUNACX-INIZCTEOSA-N 1 0 329.400 3.188 20 5 EGBDRO C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000493915066 458599830 /nfs/dbraw/zinc/59/98/30/458599830.db2.gz RFRMTCXWTQRSKQ-UKRRQHHQSA-N 1 0 349.431 3.330 20 5 EGBDRO CCC(CC)[C@H](CNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[NH+](C)C ZINC000470152568 458617061 /nfs/dbraw/zinc/61/70/61/458617061.db2.gz SDBYOYSURQGPIG-HNNXBMFYSA-N 1 0 340.399 3.222 20 5 EGBDRO CC(C)[NH+]1CCC(N(C)C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000431751788 458618419 /nfs/dbraw/zinc/61/84/19/458618419.db2.gz FMMHUUAMUMSDCI-UHFFFAOYSA-N 1 0 347.459 3.204 20 5 EGBDRO [NH3+]C1(c2noc(/C=C\c3ccc(F)cc3[N+](=O)[O-])n2)CCCCC1 ZINC000424339953 458620748 /nfs/dbraw/zinc/62/07/48/458620748.db2.gz FNJIOUYTPRIAHB-ALCCZGGFSA-N 1 0 332.335 3.405 20 5 EGBDRO Cc1cc(NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)ncc1[N+](=O)[O-] ZINC000470862912 458657847 /nfs/dbraw/zinc/65/78/47/458657847.db2.gz PPYOVPSODLJWQA-INIZCTEOSA-N 1 0 332.448 3.177 20 5 EGBDRO CCC[C@H]([NH2+]CCN1CCO[C@H](CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000494449323 458679851 /nfs/dbraw/zinc/67/98/51/458679851.db2.gz IHHBMKCFRMSZPH-MSOLQXFVSA-N 1 0 335.448 3.136 20 5 EGBDRO O=[N+]([O-])c1ccc(OCC[N@H+]2CCCC[C@@H]2[C@H]2CCCC[C@@H]2O)cc1 ZINC000463210368 458681909 /nfs/dbraw/zinc/68/19/09/458681909.db2.gz BAWGLJVHJPQVPT-QRVBRYPASA-N 1 0 348.443 3.379 20 5 EGBDRO CCc1ccc(C(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000471788690 458730509 /nfs/dbraw/zinc/73/05/09/458730509.db2.gz OGEAHRBXKMQNCQ-KBPBESRZSA-N 1 0 333.432 3.007 20 5 EGBDRO CCC[C@@H]1CCC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000466474512 458900225 /nfs/dbraw/zinc/90/02/25/458900225.db2.gz OVDVQCNNRJGLST-PBHICJAKSA-N 1 0 331.416 3.212 20 5 EGBDRO O=[N+]([O-])c1ccc(OCCC2CC[NH2+]CC2)c(Br)c1 ZINC000567042598 459038212 /nfs/dbraw/zinc/03/82/12/459038212.db2.gz NJRQRXPWBMLYPG-UHFFFAOYSA-N 1 0 329.194 3.126 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CC[C@](O)(C(F)(F)F)C1 ZINC000589938474 459053047 /nfs/dbraw/zinc/05/30/47/459053047.db2.gz SHKUUPUKMRKGIW-KAEGKVQSSA-N 1 0 344.333 3.434 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@@](O)(C(F)(F)F)C1)CCC2 ZINC000589950202 459056135 /nfs/dbraw/zinc/05/61/35/459056135.db2.gz ZCBLCDOFYBSJEN-DFBGVHRSSA-N 1 0 344.333 3.408 20 5 EGBDRO CCC(CC)[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CC1 ZINC000532530115 459106041 /nfs/dbraw/zinc/10/60/41/459106041.db2.gz MMSWXJKTNRZNQQ-UHFFFAOYSA-N 1 0 331.416 3.137 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]Cc1cccnc1N1CCCC1 ZINC000594956309 459192113 /nfs/dbraw/zinc/19/21/13/459192113.db2.gz HRVBCQQBSCZSOC-YVMONPNESA-N 1 0 338.411 3.393 20 5 EGBDRO CCCN1CC[C@@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000594991912 459206712 /nfs/dbraw/zinc/20/67/12/459206712.db2.gz NFJLYLWLDZWIJI-OAHLLOKOSA-N 1 0 329.400 3.429 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000594992226 459209062 /nfs/dbraw/zinc/20/90/62/459209062.db2.gz DFYOXWFSZOTDFG-VCHSTOLQSA-N 1 0 345.443 3.235 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H](CO)Cc1ccccc1 ZINC000595016240 459216922 /nfs/dbraw/zinc/21/69/22/459216922.db2.gz JAGWJARCGJKPEX-ZBFHGGJFSA-N 1 0 344.411 3.105 20 5 EGBDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000496503591 459218166 /nfs/dbraw/zinc/21/81/66/459218166.db2.gz CHJDECLROPWGMG-WFASDCNBSA-N 1 0 347.415 3.181 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](CC1CC1)C(C)C ZINC000533351738 459224947 /nfs/dbraw/zinc/22/49/47/459224947.db2.gz CIFLUKKPXZNINN-UHFFFAOYSA-N 1 0 335.404 3.052 20 5 EGBDRO CC[C@@H]([NH2+]C[C@H]1CC(=O)N(C(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000595105270 459247063 /nfs/dbraw/zinc/24/70/63/459247063.db2.gz SAJNPYDVOQEAOG-CZUORRHYSA-N 1 0 333.432 3.283 20 5 EGBDRO Cc1cc(NC(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)ccc1[N+](=O)[O-] ZINC000595231271 459259386 /nfs/dbraw/zinc/25/93/86/459259386.db2.gz ORDFHSJIWRUYHQ-HNNXBMFYSA-N 1 0 346.431 3.147 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H]1CCCO[C@H]1CC(C)C ZINC000481723418 459271141 /nfs/dbraw/zinc/27/11/41/459271141.db2.gz AZYKMDGOIMAPPY-HOCLYGCPSA-N 1 0 349.431 3.025 20 5 EGBDRO C[C@@H](NCc1ccc(F)cc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000595431300 459299862 /nfs/dbraw/zinc/29/98/62/459299862.db2.gz ONMCMNBFDBXBRD-HIFRSBDPSA-N 1 0 335.423 3.477 20 5 EGBDRO O=[N+]([O-])c1ccc(CN2CCC([NH2+]Cc3ccccc3)CC2)c(F)c1 ZINC000595510137 459330308 /nfs/dbraw/zinc/33/03/08/459330308.db2.gz KUMGHQIVDYZUOC-UHFFFAOYSA-N 1 0 343.402 3.488 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC(CO)([NH2+]CC(C)C)CC1 ZINC000595510907 459330644 /nfs/dbraw/zinc/33/06/44/459330644.db2.gz DWVUWVDXTYGCEQ-INIZCTEOSA-N 1 0 349.475 3.037 20 5 EGBDRO Cc1cc(=O)[nH]c(C(C)(C)NCc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000595516864 459331256 /nfs/dbraw/zinc/33/12/56/459331256.db2.gz BXTMUGHGZDWYFC-UHFFFAOYSA-N 1 0 336.779 3.077 20 5 EGBDRO Cc1cc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)nc(C)n1 ZINC000595527653 459335276 /nfs/dbraw/zinc/33/52/76/459335276.db2.gz WEOVGQWQFMOWIB-MRXNPFEDSA-N 1 0 326.400 3.381 20 5 EGBDRO C[C@](O)(C[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C(F)(F)F ZINC000582297083 459341775 /nfs/dbraw/zinc/34/17/75/459341775.db2.gz MXSWRCWIKXFDIT-JTQLQIEISA-N 1 0 346.227 3.017 20 5 EGBDRO CC(C)(C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1=CCCC1 ZINC000591771168 459432941 /nfs/dbraw/zinc/43/29/41/459432941.db2.gz WIHKGEXZONDGMV-INIZCTEOSA-N 1 0 334.416 3.061 20 5 EGBDRO COc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)cc1[N+](=O)[O-] ZINC000595792253 459444191 /nfs/dbraw/zinc/44/41/91/459444191.db2.gz YVWPOQQOAYETAG-NVXWUHKLSA-N 1 0 334.416 3.385 20 5 EGBDRO C[C@@H](C[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000541350422 459448306 /nfs/dbraw/zinc/44/83/06/459448306.db2.gz ZEIPSQLNEPAPOO-RDJZCZTQSA-N 1 0 344.411 3.070 20 5 EGBDRO CC(C)(C)[C@H]1CC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000541388847 459452913 /nfs/dbraw/zinc/45/29/13/459452913.db2.gz DDDXGTBTVNBWSV-BBRMVZONSA-N 1 0 331.416 3.068 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](N[C@@H]2CCc3nc[nH]c3C2)C(F)(F)F)cc1 ZINC000583208905 459501731 /nfs/dbraw/zinc/50/17/31/459501731.db2.gz UIBJYFNVKJCAID-YGRLFVJLSA-N 1 0 340.305 3.068 20 5 EGBDRO CC[NH+](CC)[C@H](CNc1cc[nH]c(=O)c1[N+](=O)[O-])c1ccsc1 ZINC000596073599 459509445 /nfs/dbraw/zinc/50/94/45/459509445.db2.gz JWKLRRAUSCMJAE-CYBMUJFWSA-N 1 0 336.417 3.252 20 5 EGBDRO CCC[C@@H](C)[C@H]1CCC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000486789485 459520059 /nfs/dbraw/zinc/52/00/59/459520059.db2.gz SPYYRWFNWBEWRO-RHSMWYFYSA-N 1 0 333.432 3.458 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H]1CCC(C)C ZINC000486801817 459523932 /nfs/dbraw/zinc/52/39/32/459523932.db2.gz MIKJWGOPSDBAAP-CQSZACIVSA-N 1 0 349.431 3.443 20 5 EGBDRO O=c1[nH]ccc(NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)c1[N+](=O)[O-] ZINC000596120137 459527547 /nfs/dbraw/zinc/52/75/47/459527547.db2.gz GBMXYDLOBYLLPG-AWEZNQCLSA-N 1 0 334.420 3.152 20 5 EGBDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(c2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000596162829 459543267 /nfs/dbraw/zinc/54/32/67/459543267.db2.gz QKUGCFWQQQCEBY-AWEZNQCLSA-N 1 0 347.463 3.053 20 5 EGBDRO Cc1cc(NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c([N+](=O)[O-])s1 ZINC000596165370 459544524 /nfs/dbraw/zinc/54/45/24/459544524.db2.gz KCVMXRCIWWIJEF-HUUCEWRRSA-N 1 0 339.461 3.145 20 5 EGBDRO C[C@@H](C(=O)NCCC[N@@H+]1CCCC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000562385640 459551131 /nfs/dbraw/zinc/55/11/31/459551131.db2.gz ZDAGKFMBWWQRKZ-HUUCEWRRSA-N 1 0 333.432 3.079 20 5 EGBDRO C[C@@H](Nc1c(Cl)cncc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000596190664 459554844 /nfs/dbraw/zinc/55/48/44/459554844.db2.gz WCDFUDNCTDCHLG-NEPJUHHUSA-N 1 0 338.839 3.130 20 5 EGBDRO C[C@@H]1C[N@H+](CCCNc2ccc(C(F)F)cc2[N+](=O)[O-])CCCO1 ZINC000596207832 459560690 /nfs/dbraw/zinc/56/06/90/459560690.db2.gz GJDSGHPFWUWJQN-GFCCVEGCSA-N 1 0 343.374 3.445 20 5 EGBDRO CC[NH+](CC)[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1C)CC(C)C ZINC000498034391 459565170 /nfs/dbraw/zinc/56/51/70/459565170.db2.gz SMYVJVCGRFBVLL-HNNXBMFYSA-N 1 0 335.448 3.390 20 5 EGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1-c1nc([C@H]2CCC[NH2+]2)no1 ZINC000592356726 459578760 /nfs/dbraw/zinc/57/87/60/459578760.db2.gz GUNUDWLNZHQHAV-SECBINFHSA-N 1 0 328.250 3.088 20 5 EGBDRO CC[C@@H]1CN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[C@H]1[NH3+] ZINC000592427766 459598707 /nfs/dbraw/zinc/59/87/07/459598707.db2.gz ZPVAIOXJHSZGAC-MLGOLLRUSA-N 1 0 346.456 3.278 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2ccc(CN3CC[C@H]4CC[NH2+][C@@H]4C3)o2)c1 ZINC000592432869 459600163 /nfs/dbraw/zinc/60/01/63/459600163.db2.gz ZJVGPRSTZSDLCD-CXAGYDPISA-N 1 0 327.384 3.039 20 5 EGBDRO CC1=CCC[C@@H](C)[C@@H]1C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000527201839 459606601 /nfs/dbraw/zinc/60/66/01/459606601.db2.gz PMEXGHMAXQUGNQ-NVXWUHKLSA-N 1 0 330.432 3.104 20 5 EGBDRO Cc1cc(NCc2c(C3CC3)cnn2C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000596471968 459648836 /nfs/dbraw/zinc/64/88/36/459648836.db2.gz HIFLVUMNIIMYKA-UHFFFAOYSA-N 1 0 337.383 3.096 20 5 EGBDRO CC(=O)c1cc(NCC2CC[NH+](CC3CC3)CC2)ccc1[N+](=O)[O-] ZINC000596561945 459677162 /nfs/dbraw/zinc/67/71/62/459677162.db2.gz IQCCSTPGIDFDSI-UHFFFAOYSA-N 1 0 331.416 3.331 20 5 EGBDRO CC1(C)CC(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])CC(C)(C)[NH2+]1 ZINC000596707010 459735900 /nfs/dbraw/zinc/73/59/00/459735900.db2.gz HOGDXIRCODTMSQ-UHFFFAOYSA-N 1 0 339.823 3.287 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@@H](O)COc1ccccc1)CCC2 ZINC000574266565 459798640 /nfs/dbraw/zinc/79/86/40/459798640.db2.gz MCYSAUQFPAJXAZ-APWZRJJASA-N 1 0 342.395 3.002 20 5 EGBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1[C@H](C)C[N@H+](C)[C@H](C)[C@@H]1C ZINC000593189279 459802119 /nfs/dbraw/zinc/80/21/19/459802119.db2.gz JYZIPUHZDKJBCH-PNBKFKSVSA-N 1 0 347.459 3.103 20 5 EGBDRO COCCc1ccc(OC[C@@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])cc1 ZINC000597045606 459823859 /nfs/dbraw/zinc/82/38/59/459823859.db2.gz ARSYXTIHOKPXPV-OAHLLOKOSA-N 1 0 344.411 3.341 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+]CCc2ccc3c[nH]nc3c2)c(Cl)c1 ZINC000585743483 459839654 /nfs/dbraw/zinc/83/96/54/459839654.db2.gz ZVWNLEJQOYJEAG-UHFFFAOYSA-N 1 0 330.775 3.457 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1ccc(CN2CC[C@@H]3C[NH2+]C[C@@H]3C2)s1 ZINC000574638092 459845451 /nfs/dbraw/zinc/84/54/51/459845451.db2.gz KVERDKRFHFOTIK-ZIAGYGMSSA-N 1 0 343.452 3.365 20 5 EGBDRO C[C@@H]([NH2+]C[C@H]1CN(c2ccccc2)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000566417366 459863407 /nfs/dbraw/zinc/86/34/07/459863407.db2.gz XTMFUQOACJPGJR-BEFAXECRSA-N 1 0 341.411 3.151 20 5 EGBDRO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)[C@]12CCCO2 ZINC000546163586 459901048 /nfs/dbraw/zinc/90/10/48/459901048.db2.gz MQPBWYWAHMZDNM-BVPBIZIASA-N 1 0 334.416 3.280 20 5 EGBDRO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCc3ccc(O)cc3CC2)cc1 ZINC000609133308 459907513 /nfs/dbraw/zinc/90/75/13/459907513.db2.gz IZZCRNJBVZGABO-UHFFFAOYSA-N 1 0 342.395 3.170 20 5 EGBDRO Cc1cc(NC(=O)N[C@@H]2CN(C)Cc3ccccc32)ccc1[N+](=O)[O-] ZINC000613776752 459929580 /nfs/dbraw/zinc/92/95/80/459929580.db2.gz XTOCWEMTDGSXBA-MRXNPFEDSA-N 1 0 340.383 3.211 20 5 EGBDRO COc1cc(OC)c(C[NH2+]CCc2cccc([N+](=O)[O-])c2)cc1F ZINC000593609082 459932471 /nfs/dbraw/zinc/93/24/71/459932471.db2.gz PLLRAXPRMQBCLW-UHFFFAOYSA-N 1 0 334.347 3.083 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CC[C@H]([NH+]3CCCCC3)C2)c2ccncc21 ZINC000609350655 459948327 /nfs/dbraw/zinc/94/83/27/459948327.db2.gz GVURHVSEPUAZDX-AWEZNQCLSA-N 1 0 326.400 3.208 20 5 EGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000602483637 459961737 /nfs/dbraw/zinc/96/17/37/459961737.db2.gz KCZOTDMWRWLTIE-CQSZACIVSA-N 1 0 330.306 3.226 20 5 EGBDRO C[NH+](C)CCc1ccc(NCc2nc3cc([N+](=O)[O-])ccc3o2)cc1 ZINC000602492801 459966393 /nfs/dbraw/zinc/96/63/93/459966393.db2.gz XPJQDSOTQRYHJK-UHFFFAOYSA-N 1 0 340.383 3.452 20 5 EGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]CCc1nccs1 ZINC000602533855 459986174 /nfs/dbraw/zinc/98/61/74/459986174.db2.gz PPMLONSKUAVUFN-UHFFFAOYSA-N 1 0 331.319 3.402 20 5 EGBDRO C[C@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1CO ZINC000598676201 459987416 /nfs/dbraw/zinc/98/74/16/459987416.db2.gz DMELPCOWUIJCQI-ZFWWWQNUSA-N 1 0 330.384 3.305 20 5 EGBDRO CCC[C@](C)(O)C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602546007 459992723 /nfs/dbraw/zinc/99/27/23/459992723.db2.gz AMXJRAAQBYZRPW-NSHDSACASA-N 1 0 337.239 3.060 20 5 EGBDRO O=[N+]([O-])c1sc(C[NH2+]C[C@H]2CCC[C@H](O)C2)cc1Br ZINC000602554300 459993386 /nfs/dbraw/zinc/99/33/86/459993386.db2.gz FPWFVOCYXIGZTE-IUCAKERBSA-N 1 0 349.250 3.060 20 5 EGBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H](CO)c2ccc(Cl)cc2)cs1 ZINC000588928732 460006826 /nfs/dbraw/zinc/00/68/26/460006826.db2.gz NYKFPCOULWIJNR-GFCCVEGCSA-N 1 0 326.805 3.175 20 5 EGBDRO O=[N+]([O-])c1sc(C[NH2+][C@H]2CCCOCC2)cc1Br ZINC000602581446 460007504 /nfs/dbraw/zinc/00/75/04/460007504.db2.gz KLRGYCODQVFHBE-QMMMGPOBSA-N 1 0 335.223 3.078 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCc1ccc(C[NH3+])cc1F ZINC000593914830 460016091 /nfs/dbraw/zinc/01/60/91/460016091.db2.gz GFVZNBXGDRCGLD-UHFFFAOYSA-N 1 0 345.374 3.048 20 5 EGBDRO CC(C)(C)c1ccc(C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)cc1[N+](=O)[O-] ZINC000602598389 460017669 /nfs/dbraw/zinc/01/76/69/460017669.db2.gz INPHRCPGDBMUGU-MQMHXKEQSA-N 1 0 333.432 3.140 20 5 EGBDRO C[C@H]1CSC[C@H]1[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602664177 460052786 /nfs/dbraw/zinc/05/27/86/460052786.db2.gz UEOOFKYSCMVIIL-IMTBSYHQSA-N 1 0 337.264 3.260 20 5 EGBDRO COC[C@]1(C)CC[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602672637 460058637 /nfs/dbraw/zinc/05/86/37/460058637.db2.gz DFBRQYAMUPSWBP-CQSZACIVSA-N 1 0 332.322 3.472 20 5 EGBDRO CO[C@@H](C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)C1CCOCC1 ZINC000602685437 460065110 /nfs/dbraw/zinc/06/51/10/460065110.db2.gz PERCLXPFPUZGLG-HKUYNNGSSA-N 1 0 348.443 3.216 20 5 EGBDRO C[C@H]1C[C@@H](CO)C[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602700821 460074692 /nfs/dbraw/zinc/07/46/92/460074692.db2.gz XINZCEQEBZWMAX-WDEREUQCSA-N 1 0 332.322 3.064 20 5 EGBDRO CCC(C)(C)[NH+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000594081601 460092826 /nfs/dbraw/zinc/09/28/26/460092826.db2.gz SAEGVEDOFBFTBI-UHFFFAOYSA-N 1 0 334.420 3.241 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CCCN1CC(F)F ZINC000598988343 460118354 /nfs/dbraw/zinc/11/83/54/460118354.db2.gz PBCFYPHNDXETCH-OIQJVACTSA-N 1 0 339.386 3.317 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](C)C1 ZINC000602782254 460121423 /nfs/dbraw/zinc/12/14/23/460121423.db2.gz LXNZGCRMWVTABD-PBHICJAKSA-N 1 0 328.416 3.225 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1C2CCCC1CCC2 ZINC000610395037 460141415 /nfs/dbraw/zinc/14/14/15/460141415.db2.gz PAQWXLSRQSBSBO-UHFFFAOYSA-N 1 0 347.415 3.339 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1[C@H](C)C[C@H](c2ccccc2)[C@H]1C ZINC000602834860 460152052 /nfs/dbraw/zinc/15/20/52/460152052.db2.gz FTWSUWIDLNCIKJ-CPUCHLNUSA-N 1 0 328.416 3.366 20 5 EGBDRO Cc1ccc(NC(=O)c2ccc(CC[NH+](C)C)cc2)cc1[N+](=O)[O-] ZINC000594215557 460156028 /nfs/dbraw/zinc/15/60/28/460156028.db2.gz RCUFIBJUXIIVPU-UHFFFAOYSA-N 1 0 327.384 3.260 20 5 EGBDRO O=[N+]([O-])c1sccc1NCC1([NH+]2CCCCC2)CCOCC1 ZINC000610575820 460187325 /nfs/dbraw/zinc/18/73/25/460187325.db2.gz ZYYGITOYVGBQNY-UHFFFAOYSA-N 1 0 325.434 3.103 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+](Cc1ccccc1)[C@@H](C)C1CC1 ZINC000610782888 460236074 /nfs/dbraw/zinc/23/60/74/460236074.db2.gz RJUPKNQMHAGXIG-AWEZNQCLSA-N 1 0 328.416 3.400 20 5 EGBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@H]2C2CCCCC2)c1 ZINC000603840434 460345991 /nfs/dbraw/zinc/34/59/91/460345991.db2.gz BSBWOZYZWCQLKS-HKUYNNGSSA-N 1 0 348.443 3.379 20 5 EGBDRO Cc1cc(N2CC[NH+](C3CCC3)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000611444981 460367271 /nfs/dbraw/zinc/36/72/71/460367271.db2.gz VNVZVTKPCGBVNZ-UHFFFAOYSA-N 1 0 326.400 3.126 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1ccc(CO)cc1 ZINC000615727324 460381003 /nfs/dbraw/zinc/38/10/03/460381003.db2.gz JTQIHQGREHMMIN-PTNGSMBKSA-N 1 0 326.396 3.323 20 5 EGBDRO CC[C@H]1C[N@H+](C)CCCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000619567022 460385275 /nfs/dbraw/zinc/38/52/75/460385275.db2.gz IKLSSGMJVNVMCV-ZDUSSCGKSA-N 1 0 347.440 3.366 20 5 EGBDRO O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ccccc1Nc1cc[nH+]cc1 ZINC000619582082 460390554 /nfs/dbraw/zinc/39/05/54/460390554.db2.gz WQBPWOWASMIZEK-UHFFFAOYSA-N 1 0 348.362 3.337 20 5 EGBDRO CCOC(=O)CC[N@H+](C/C(C)=C/c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000615836078 460403367 /nfs/dbraw/zinc/40/33/67/460403367.db2.gz OPUZKRUMTGBPAR-SDNWHVSQSA-N 1 0 332.400 3.416 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@H](C)c1ccsc1 ZINC000619746377 460428409 /nfs/dbraw/zinc/42/84/09/460428409.db2.gz QVBNXCGSJXDUCL-MNOVXSKESA-N 1 0 349.412 3.343 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000604474555 460430643 /nfs/dbraw/zinc/43/06/43/460430643.db2.gz BNXVRUQQALBKTI-KBPBESRZSA-N 1 0 347.459 3.390 20 5 EGBDRO CC(C)C[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CCCC1 ZINC000604493096 460434729 /nfs/dbraw/zinc/43/47/29/460434729.db2.gz BGHIJYNVKJMUSJ-UHFFFAOYSA-N 1 0 345.443 3.385 20 5 EGBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]Cc2nc(C3CC3)cs2)n1 ZINC000616008101 460448516 /nfs/dbraw/zinc/44/85/16/460448516.db2.gz FSAUBHQDRCOPLM-OCCSQVGLSA-N 1 0 347.444 3.399 20 5 EGBDRO C[C@H]([NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)[C@H](O)C(F)(F)F ZINC000601301341 460781390 /nfs/dbraw/zinc/78/13/90/460781390.db2.gz YPMODCMGJQKTQV-HJIKLVIJSA-N 1 0 332.322 3.219 20 5 EGBDRO COc1cc(C[NH+](C)C)ccc1NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000601620842 460849417 /nfs/dbraw/zinc/84/94/17/460849417.db2.gz LOTYSNAAJVCYEO-UHFFFAOYSA-N 1 0 343.383 3.226 20 5 EGBDRO C[C@@H](O)[C@](C)(C[NH2+]Cc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000191711936 533864795 /nfs/dbraw/zinc/86/47/95/533864795.db2.gz YPXCQMXIONFKPR-BEFAXECRSA-N 1 0 328.412 3.314 20 5 EGBDRO CC(C)(CC[NH+]1CCCCCC1)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000187378616 527031552 /nfs/dbraw/zinc/03/15/52/527031552.db2.gz QUGCXSCTUIQVLC-UHFFFAOYSA-N 1 0 333.432 3.369 20 5 EGBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000174105144 527833586 /nfs/dbraw/zinc/83/35/86/527833586.db2.gz RKGLCBWIKRQKMT-GJZGRUSLSA-N 1 0 348.447 3.029 20 5 EGBDRO CC[NH+](CC)Cc1ccc(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000188345384 528192098 /nfs/dbraw/zinc/19/20/98/528192098.db2.gz RZVCTDSUJCUVDV-UHFFFAOYSA-N 1 0 342.399 3.271 20 5 EGBDRO CC[C@@H]([NH2+]CCS(=O)(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000154146909 529167074 /nfs/dbraw/zinc/16/70/74/529167074.db2.gz WNQBBEYVTHGJDL-QGZVFWFLSA-N 1 0 348.424 3.109 20 5 EGBDRO CC[C@H](O)CCC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000344479488 535965447 /nfs/dbraw/zinc/96/54/47/535965447.db2.gz KXIFQGQWBXZCNF-HNNXBMFYSA-N 1 0 335.429 3.359 20 5 EGBDRO C[C@@H]([C@H](C)[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CCCCC1 ZINC000185511203 547118979 /nfs/dbraw/zinc/11/89/79/547118979.db2.gz XFQNKHGRNRSUBV-STQMWFEESA-N 1 0 333.432 3.388 20 5 EGBDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000726787318 574571573 /nfs/dbraw/zinc/57/15/73/574571573.db2.gz ODBNYGBESGWOOH-GFCCVEGCSA-N 1 0 336.392 3.425 20 5 EGBDRO C[NH+](C)CC(C)(C)CNC(=S)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000727064273 574638947 /nfs/dbraw/zinc/63/89/47/574638947.db2.gz ZLAYRCCZFDJSGQ-UHFFFAOYSA-N 1 0 344.868 3.122 20 5 EGBDRO C[C@@H](CC(=O)OC(C)(C)C)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000731452811 575075069 /nfs/dbraw/zinc/07/50/69/575075069.db2.gz OGMRKPDVYWJCTJ-JTQLQIEISA-N 1 0 328.796 3.458 20 5 EGBDRO COC(=O)CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)CC(C)C ZINC000735490387 575669039 /nfs/dbraw/zinc/66/90/39/575669039.db2.gz IWUFGPBXSCWMDO-UHFFFAOYSA-N 1 0 328.796 3.269 20 5 EGBDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000841233386 1321237010 /nfs/dbraw/zinc/23/70/10/1321237010.db2.gz RZLOPEQXKGYEKL-JTQLQIEISA-N 1 0 328.800 3.085 20 5 EGBDRO C[NH+](C)Cc1ccccc1CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000007941545 1291096529 /nfs/dbraw/zinc/09/65/29/1291096529.db2.gz YJTNNFJJKYNIAB-UHFFFAOYSA-N 1 0 347.802 3.240 20 5 EGBDRO C[C@@H]1C[C@@H](C)C[NH+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000009997415 1291111316 /nfs/dbraw/zinc/11/13/16/1291111316.db2.gz SXNJASKNEYAMEV-GHMZBOCLSA-N 1 0 325.796 3.165 20 5 EGBDRO C[C@]1(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1(Cl)Cl ZINC000828310752 1292453651 /nfs/dbraw/zinc/45/36/51/1292453651.db2.gz GNTOYNLOHCYRHC-ZWNOBZJWSA-N 1 0 345.230 3.060 20 5 EGBDRO CO[C@@H](C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)Cc1ccccc1 ZINC000834855595 1293157823 /nfs/dbraw/zinc/15/78/23/1293157823.db2.gz BKPZRYWKZTUCGW-CZUORRHYSA-N 1 0 329.400 3.085 20 5 EGBDRO C[C@H]([NH2+][C@@H]1CCO[C@@H](c2ccccn2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834905396 1293171138 /nfs/dbraw/zinc/17/11/38/1293171138.db2.gz UHYATISRPFOFQG-WPKBUWHJSA-N 1 0 342.399 3.143 20 5 EGBDRO CC(C)(CCC(=O)OC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[N+](=O)[O-] ZINC000835165434 1293224264 /nfs/dbraw/zinc/22/42/64/1293224264.db2.gz YPIPKHDZGRGHCH-QGZVFWFLSA-N 1 0 348.443 3.277 20 5 EGBDRO C[C@H](OC(=O)CCC(C)(C)[N+](=O)[O-])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000835287245 1293252559 /nfs/dbraw/zinc/25/25/59/1293252559.db2.gz PUDSDJUPCUUIMF-RDJZCZTQSA-N 1 0 348.443 3.276 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)C[C@H](O)c1ccco1 ZINC000130565670 1293660965 /nfs/dbraw/zinc/66/09/65/1293660965.db2.gz VKPMFRLJAFGSTP-DOMZBBRYSA-N 1 0 334.372 3.188 20 5 EGBDRO CN(Cc1nc2ccccc2s1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000136893595 1293823294 /nfs/dbraw/zinc/82/32/94/1293823294.db2.gz XXGLCWJOBAYWGZ-HNNXBMFYSA-N 1 0 343.408 3.370 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@H]2Cc2ccccc2)c1 ZINC000246207897 1296341686 /nfs/dbraw/zinc/34/16/86/1296341686.db2.gz CANSPPZPFVUBSR-PKOBYXMFSA-N 1 0 326.396 3.335 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)Cc1cnccn1 ZINC000872029902 1296676993 /nfs/dbraw/zinc/67/69/93/1296676993.db2.gz VGAHRVOOTVNIGG-NEPJUHHUSA-N 1 0 332.429 3.389 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCc2n[nH]cc2C1 ZINC000872047366 1296697420 /nfs/dbraw/zinc/69/74/20/1296697420.db2.gz AQNMYRNYEVSGLE-CMPLNLGQSA-N 1 0 332.429 3.248 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C1COC(C)(C)OC1 ZINC000872062798 1296708475 /nfs/dbraw/zinc/70/84/75/1296708475.db2.gz QDYMNPBIFADHTA-SNVBAGLBSA-N 1 0 326.418 3.119 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2nc(CN3CC[C@@]4(CCC[NH2+]4)C3)cs2)c1 ZINC000415144991 1297779661 /nfs/dbraw/zinc/77/96/61/1297779661.db2.gz WGULEVMQOYWGCA-KRWDZBQOSA-N 1 0 344.440 3.046 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000874192682 1297815776 /nfs/dbraw/zinc/81/57/76/1297815776.db2.gz QOLDFKDKPCXGPQ-UHFFFAOYSA-N 1 0 347.459 3.404 20 5 EGBDRO C[C@@H]1CC[C@H](Oc2c(Br)c(F)ccc2[N+](=O)[O-])C[NH2+]1 ZINC000689743835 1298126695 /nfs/dbraw/zinc/12/66/95/1298126695.db2.gz LAASBVFTCVFITA-SFYZADRCSA-N 1 0 333.157 3.016 20 5 EGBDRO CCC[N@H+](Cc1cccc([N+](=O)[O-])c1Br)CC(C)(C)O ZINC000691053262 1298132395 /nfs/dbraw/zinc/13/23/95/1298132395.db2.gz UIPWVWKDHQVHMS-UHFFFAOYSA-N 1 0 345.237 3.340 20 5 EGBDRO COC(=O)[C@@H](C)C[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC000747528995 1298796190 /nfs/dbraw/zinc/79/61/90/1298796190.db2.gz DTUZWGDVTNDVRU-JTQLQIEISA-N 1 0 326.780 3.022 20 5 EGBDRO CC1(O)CCC([NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000877075883 1299147761 /nfs/dbraw/zinc/14/77/61/1299147761.db2.gz RDEBIESZHWGLCC-UHFFFAOYSA-N 1 0 332.322 3.397 20 5 EGBDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000749603986 1299244805 /nfs/dbraw/zinc/24/48/05/1299244805.db2.gz WOTBOMSJIMIMMZ-PEKVBPLLSA-N 1 0 345.443 3.379 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]Cc2cc3c(s2)CCCC3)c1 ZINC000749674271 1299253347 /nfs/dbraw/zinc/25/33/47/1299253347.db2.gz HDLAPJGCKWCDIF-MRXNPFEDSA-N 1 0 332.425 3.358 20 5 EGBDRO [NH3+][C@@H](C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)C1)C1CCCC1 ZINC000877447481 1299307319 /nfs/dbraw/zinc/30/73/19/1299307319.db2.gz DFSXEHFUXFMWDZ-KSSFIOAISA-N 1 0 345.443 3.355 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+](CCc2ccccc2)C2CC2)c1 ZINC000750034203 1299326710 /nfs/dbraw/zinc/32/67/10/1299326710.db2.gz BQRSCKJOEFHFBW-IBGZPJMESA-N 1 0 326.396 3.335 20 5 EGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@H+]1CCC[C@H](CO)CC1 ZINC000877554572 1299394823 /nfs/dbraw/zinc/39/48/23/1299394823.db2.gz KMLFGZGSLQIOFG-NSHDSACASA-N 1 0 332.322 3.208 20 5 EGBDRO O=C(NC1CCC([NH+]2CCCCC2)CC1)c1cc([N+](=O)[O-])ccc1F ZINC000750980460 1299490039 /nfs/dbraw/zinc/49/00/39/1299490039.db2.gz YUONWSGMPFNTQA-UHFFFAOYSA-N 1 0 349.406 3.261 20 5 EGBDRO CC(C)(C)SCCC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000877918304 1299640450 /nfs/dbraw/zinc/64/04/50/1299640450.db2.gz PDBIRGFAMCOZMH-UHFFFAOYSA-N 1 0 338.477 3.034 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](C)c1ccccc1C(F)(F)F ZINC000878367258 1299950445 /nfs/dbraw/zinc/95/04/45/1299950445.db2.gz OHTUEQSTKMGATN-JTQLQIEISA-N 1 0 342.321 3.469 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)CC2(O)CCCCC2)cc1[N+](=O)[O-] ZINC000878370776 1299952789 /nfs/dbraw/zinc/95/27/89/1299952789.db2.gz AVFHYFFMVUEJRS-GDBMZVCRSA-N 1 0 336.432 3.000 20 5 EGBDRO C[C@@H](C(=O)NCc1cc([N+](=O)[O-])ccc1Cl)[NH+]1[C@H](C)CC[C@H]1C ZINC000757423428 1300670579 /nfs/dbraw/zinc/67/05/79/1300670579.db2.gz DJHCNPLUCLFVCI-UTUOFQBUSA-N 1 0 339.823 3.126 20 5 EGBDRO Cc1nn(CN(C)[C@H]2CCO[C@H](c3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000758262268 1300837488 /nfs/dbraw/zinc/83/74/88/1300837488.db2.gz CEHZUHMWXWWLFH-RDJZCZTQSA-N 1 0 348.378 3.048 20 5 EGBDRO CCC[C@@H](C)[C@H]1CCC[N@@H+]1Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000767765789 1302761173 /nfs/dbraw/zinc/76/11/73/1302761173.db2.gz OWHQYWMPEFOKRJ-TZMCWYRMSA-N 1 0 333.388 3.361 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3nccc4ccccc43)CC2)cc1 ZINC000768149314 1302837441 /nfs/dbraw/zinc/83/74/41/1302837441.db2.gz DQRXDEGYAPOJFJ-UHFFFAOYSA-N 1 0 348.406 3.465 20 5 EGBDRO C[C@@H]1C[N@H+](CCCNc2ncc([N+](=O)[O-])c3ccccc32)CCCO1 ZINC000884487598 1302880218 /nfs/dbraw/zinc/88/02/18/1302880218.db2.gz YZHNSVHURUAQHB-CQSZACIVSA-N 1 0 344.415 3.056 20 5 EGBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1c1ncc([N+](=O)[O-])c2ccccc21 ZINC000884506699 1302888385 /nfs/dbraw/zinc/88/83/85/1302888385.db2.gz KPQSBDCQDDXLNJ-KBPBESRZSA-N 1 0 326.400 3.206 20 5 EGBDRO C[C@@H](O)C(=O)N1CC[NH+](Cc2c3ccccc3cc3ccccc32)CC1 ZINC000769501329 1303129053 /nfs/dbraw/zinc/12/90/53/1303129053.db2.gz BEHTWKBTPNVQNV-MRXNPFEDSA-N 1 0 348.446 3.018 20 5 EGBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000770010750 1303206548 /nfs/dbraw/zinc/20/65/48/1303206548.db2.gz JQBKITSIMPBUDP-LLVKDONJSA-N 1 0 340.811 3.244 20 5 EGBDRO O=[N+]([O-])c1ncccc1C[N@@H+](CCCO)[C@@H]1CCCc2ccccc21 ZINC000886033005 1303326188 /nfs/dbraw/zinc/32/61/88/1303326188.db2.gz QLPJMJKRIVXGJE-GOSISDBHSA-N 1 0 341.411 3.252 20 5 EGBDRO CC(C)[C@@H](CO)[N@H+](Cc1ccccc1)Cc1cccnc1[N+](=O)[O-] ZINC000886033526 1303327390 /nfs/dbraw/zinc/32/73/90/1303327390.db2.gz WGQJDVONEQHHGW-QGZVFWFLSA-N 1 0 329.400 3.009 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(c2nc(C)c(C)[nH]2)CC1 ZINC000886659753 1303542900 /nfs/dbraw/zinc/54/29/00/1303542900.db2.gz UUCBMHDYJJNHDQ-UHFFFAOYSA-N 1 0 344.415 3.323 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@]1(O)CCc2ccccc21 ZINC000773098583 1303625183 /nfs/dbraw/zinc/62/51/83/1303625183.db2.gz MYKAAHXKXAZEFR-KUHUBIRLSA-N 1 0 326.396 3.388 20 5 EGBDRO CC[C@H]([NH2+][C@H](CO)C[C@@H](O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000773110133 1303626386 /nfs/dbraw/zinc/62/63/86/1303626386.db2.gz VPTMXMGCYBAFRI-YTQUADARSA-N 1 0 344.411 3.120 20 5 EGBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]Cc2ccc(Cl)nc2)n1 ZINC000774132359 1303776455 /nfs/dbraw/zinc/77/64/55/1303776455.db2.gz TYKIAVSXKZISKL-STQMWFEESA-N 1 0 335.795 3.113 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC2([NH+](C)C)CCCCC2)c1C ZINC000887677739 1303890128 /nfs/dbraw/zinc/89/01/28/1303890128.db2.gz FFHNWSPOJBLKQM-UHFFFAOYSA-N 1 0 333.432 3.206 20 5 EGBDRO CCO[C@@H]1C[C@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1(CC)CC ZINC000776157625 1304103568 /nfs/dbraw/zinc/10/35/68/1304103568.db2.gz SHMQZUBTWNLZBJ-YESZJQIVSA-N 1 0 336.432 3.202 20 5 EGBDRO C[C@H]1c2c(F)cccc2CC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776584971 1304174663 /nfs/dbraw/zinc/17/46/63/1304174663.db2.gz QBRWYAATZUXYCY-SJCJKPOMSA-N 1 0 330.359 3.387 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+](Cc2cccc(O)c2)CC2CC2)cc1 ZINC000776581661 1304175314 /nfs/dbraw/zinc/17/53/14/1304175314.db2.gz GOXVKJNASUOIIN-IBGZPJMESA-N 1 0 342.395 3.246 20 5 EGBDRO CCC1(CC)[C@H](OC)C[C@@H]1[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776590722 1304176566 /nfs/dbraw/zinc/17/65/66/1304176566.db2.gz HFYUPKZMULMVRS-YESZJQIVSA-N 1 0 336.432 3.154 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+](CCC(F)(F)F)CC2CC2)cc1 ZINC000776590413 1304176816 /nfs/dbraw/zinc/17/68/16/1304176816.db2.gz DKTOCOJSSZWDGC-AWEZNQCLSA-N 1 0 332.322 3.293 20 5 EGBDRO C[C@]1([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCCc2ccccc21 ZINC000776592409 1304177659 /nfs/dbraw/zinc/17/76/59/1304177659.db2.gz ONNJPJVLAYCPLD-OALUTQOASA-N 1 0 326.396 3.470 20 5 EGBDRO Cc1nn(C[N@@H+](CCc2ccc(F)cc2)CC(C)C)cc1[N+](=O)[O-] ZINC000779858944 1304615679 /nfs/dbraw/zinc/61/56/79/1304615679.db2.gz OBNNBBBPIUAKPH-UHFFFAOYSA-N 1 0 334.395 3.397 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](C[C@H]3CCc4ccccc43)C2)nc1 ZINC000780304485 1304674901 /nfs/dbraw/zinc/67/49/01/1304674901.db2.gz VDCHMMGLVKFXFU-HZPDHXFCSA-N 1 0 338.411 3.206 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](C[C@@H]3CCc4ccccc43)C2)nc1 ZINC000780304486 1304675410 /nfs/dbraw/zinc/67/54/10/1304675410.db2.gz VDCHMMGLVKFXFU-JKSUJKDBSA-N 1 0 338.411 3.206 20 5 EGBDRO CC1CC[NH+](Cc2ccccc2CNc2c([N+](=O)[O-])cnn2C)CC1 ZINC000891840888 1305184853 /nfs/dbraw/zinc/18/48/53/1305184853.db2.gz WNYBXMAPCFLSHP-UHFFFAOYSA-N 1 0 343.431 3.172 20 5 EGBDRO C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CCCCCCC1 ZINC000784144593 1305196290 /nfs/dbraw/zinc/19/62/90/1305196290.db2.gz TVMLHONDNYNARR-INIZCTEOSA-N 1 0 336.432 3.379 20 5 EGBDRO COc1c(O)ccc(C[N@@H+]2CC[C@H]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000892129504 1305260248 /nfs/dbraw/zinc/26/02/48/1305260248.db2.gz ARGFOLXOWLSUJV-HNNXBMFYSA-N 1 0 328.368 3.126 20 5 EGBDRO C[C@H](C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)NC(=O)OC(C)(C)C ZINC000785460663 1305355867 /nfs/dbraw/zinc/35/58/67/1305355867.db2.gz KRLFXYJZOVBUSI-CYBMUJFWSA-N 1 0 349.431 3.472 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]CCCOCC(F)(F)F ZINC000892552845 1305437279 /nfs/dbraw/zinc/43/72/79/1305437279.db2.gz FFGUKQSTPNOCIA-UHFFFAOYSA-N 1 0 326.702 3.307 20 5 EGBDRO C[N@@H+]1CCCC[C@@H]1CCOC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000785954820 1305481342 /nfs/dbraw/zinc/48/13/42/1305481342.db2.gz RFTSOXLHLBGWEE-CYBMUJFWSA-N 1 0 340.807 3.208 20 5 EGBDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1cnc(CC(F)(F)F)s1 ZINC000893070923 1305690214 /nfs/dbraw/zinc/69/02/14/1305690214.db2.gz ZFRNNOIJDXNRFM-UHFFFAOYSA-N 1 0 345.346 3.488 20 5 EGBDRO CC1(C)[C@H](C(F)(F)F)CC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000787322726 1305732129 /nfs/dbraw/zinc/73/21/29/1305732129.db2.gz RYMUNXOHMZOADX-QWHCGFSZSA-N 1 0 332.322 3.291 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@H]1CCN(c2ccccn2)C1 ZINC000893229436 1305774387 /nfs/dbraw/zinc/77/43/87/1305774387.db2.gz JLEMZNRBEJFHRK-AWEZNQCLSA-N 1 0 332.791 3.012 20 5 EGBDRO CCN(CCC[NH+]1CCCC1)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000788078378 1305860789 /nfs/dbraw/zinc/86/07/89/1305860789.db2.gz UQMGUDRRJQXOSR-UHFFFAOYSA-N 1 0 328.416 3.455 20 5 EGBDRO COCC[N@H+](Cn1ncc2ccc([N+](=O)[O-])cc21)[C@H]1CC[C@@H](C)C1 ZINC000790475791 1306332097 /nfs/dbraw/zinc/33/20/97/1306332097.db2.gz BTCFLJZQPWHCAQ-HIFRSBDPSA-N 1 0 332.404 3.039 20 5 EGBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000895551161 1309396241 /nfs/dbraw/zinc/39/62/41/1309396241.db2.gz VWDBHSSCDWQNRO-AWEZNQCLSA-N 1 0 339.823 3.079 20 5 EGBDRO Cc1ccc(C[NH2+][C@@H](C)CCNC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000793602621 1309414047 /nfs/dbraw/zinc/41/40/47/1309414047.db2.gz ZMEPTJMXDXBNKX-ZDUSSCGKSA-N 1 0 337.420 3.296 20 5 EGBDRO CCOC1CC2(C1)CC[N@H+](Cn1nc(C)c3cc([N+](=O)[O-])ccc31)C2 ZINC000795727474 1309820419 /nfs/dbraw/zinc/82/04/19/1309820419.db2.gz RXGZQBVKBCGPQQ-UHFFFAOYSA-N 1 0 344.415 3.101 20 5 EGBDRO C[N@@H+]1CCCC[C@@H]1CCOC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000796442704 1310000829 /nfs/dbraw/zinc/00/08/29/1310000829.db2.gz GWAFNMKXDPAWEG-CQSZACIVSA-N 1 0 334.416 3.290 20 5 EGBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]CCc3nc4c(s3)CCC4)nc2c1 ZINC000896842508 1310046773 /nfs/dbraw/zinc/04/67/73/1310046773.db2.gz UQRCUQJQRCMMMD-UHFFFAOYSA-N 1 0 344.396 3.014 20 5 EGBDRO Cc1c(C[N@H+]2CCCC[C@H]2COC(=O)NC(C)C)cccc1[N+](=O)[O-] ZINC000796717165 1310072528 /nfs/dbraw/zinc/07/25/28/1310072528.db2.gz OTCSEUJFIZGVRR-INIZCTEOSA-N 1 0 349.431 3.392 20 5 EGBDRO O=C(OCCC[NH+]1CCCCC1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000800165325 1310688990 /nfs/dbraw/zinc/68/89/90/1310688990.db2.gz SHESLZDZCCMSMQ-UHFFFAOYSA-N 1 0 326.780 3.281 20 5 EGBDRO C[C@@H](C(=O)OCCC[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000800199270 1310699506 /nfs/dbraw/zinc/69/95/06/1310699506.db2.gz BMHYNOCJWOOTRV-CYBMUJFWSA-N 1 0 338.379 3.257 20 5 EGBDRO Cc1cc(Cl)nc(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000800492139 1310767770 /nfs/dbraw/zinc/76/77/70/1310767770.db2.gz CIFVMDYBACSBFQ-UONOGXRCSA-N 1 0 349.822 3.422 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](O)c1cc(C)cc(C)c1 ZINC000800898047 1310831382 /nfs/dbraw/zinc/83/13/82/1310831382.db2.gz QJNIDNDFIIFDOF-GOSISDBHSA-N 1 0 344.411 3.434 20 5 EGBDRO C[N@@H+]1CCC[C@@H]1CCN[C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC000839651508 1320951564 /nfs/dbraw/zinc/95/15/64/1320951564.db2.gz GHXCOWCPHCPVOR-QMTHXVAHSA-N 1 0 349.328 3.411 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)NCC[NH+](C(C)C)C(C)C ZINC000929468046 1328604827 /nfs/dbraw/zinc/60/48/27/1328604827.db2.gz ILFYBILGAHRWCV-UHFFFAOYSA-N 1 0 339.461 3.165 20 5 EGBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000807917135 1317601000 /nfs/dbraw/zinc/60/10/00/1317601000.db2.gz NMQUYVUIXGDEBY-MRXNPFEDSA-N 1 0 339.395 3.484 20 5 EGBDRO COC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2SC)C1 ZINC000903129490 1317659217 /nfs/dbraw/zinc/65/92/17/1317659217.db2.gz CQZHJCQMMNFSAC-UTUOFQBUSA-N 1 0 338.429 3.309 20 5 EGBDRO Cc1cc(C(F)(F)F)nn1CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000903163901 1317666671 /nfs/dbraw/zinc/66/66/71/1317666671.db2.gz JGFMQSYEEKFYTM-LLVKDONJSA-N 1 0 342.321 3.469 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CC[C@H]1CCCC[C@H]1O)C1CC1 ZINC000903265713 1317681859 /nfs/dbraw/zinc/68/18/59/1317681859.db2.gz RHIGTLROJADHRI-HHXXYDBFSA-N 1 0 332.444 3.447 20 5 EGBDRO C[C@@H]([NH2+][C@H](C)c1ccc2c(c1)OCC(=O)N2)c1ccc([N+](=O)[O-])cc1 ZINC000903287780 1317683195 /nfs/dbraw/zinc/68/31/95/1317683195.db2.gz PQLDSCDTTFRMFC-VXGBXAGGSA-N 1 0 341.367 3.338 20 5 EGBDRO CCc1ccc([C@@H]([NH2+]C[C@H]2CCN2C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000903319476 1317686895 /nfs/dbraw/zinc/68/68/95/1317686895.db2.gz ZVPAIYXTPPDKMN-QAPCUYQASA-N 1 0 329.400 3.133 20 5 EGBDRO Cc1ncccc1CC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000903414476 1317697992 /nfs/dbraw/zinc/69/79/92/1317697992.db2.gz BIPBSHCKLKZXQY-GOSISDBHSA-N 1 0 325.412 3.452 20 5 EGBDRO C[NH+](C)CCN(Cc1ccc([N+](=O)[O-])c(Cl)c1)Cc1ccccn1 ZINC000809740603 1317886040 /nfs/dbraw/zinc/88/60/40/1317886040.db2.gz GKDMPNQUNDWGLC-UHFFFAOYSA-N 1 0 348.834 3.207 20 5 EGBDRO CC[N@H+](CCNC(=O)Nc1cccc([N+](=O)[O-])c1Cl)C(C)C ZINC000809918293 1317918019 /nfs/dbraw/zinc/91/80/19/1317918019.db2.gz HTIFPPQUNDZVQX-UHFFFAOYSA-N 1 0 328.800 3.100 20 5 EGBDRO C[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccccc1F ZINC000905851708 1318007157 /nfs/dbraw/zinc/00/71/57/1318007157.db2.gz BFGHFNFUPVXOBA-CHWSQXEVSA-N 1 0 345.374 3.089 20 5 EGBDRO Cc1ccc(CN2CCCC[C@@H]2COC(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000811511882 1318190932 /nfs/dbraw/zinc/19/09/32/1318190932.db2.gz WYKNWCWUGJSDOB-MRXNPFEDSA-N 1 0 347.415 3.146 20 5 EGBDRO CCC[N@H+](CC)C[C@@H](C)Nc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1 ZINC000811866740 1318281337 /nfs/dbraw/zinc/28/13/37/1318281337.db2.gz JXJXZDXEJQIWBL-CYBMUJFWSA-N 1 0 348.447 3.019 20 5 EGBDRO CC[N@@H+]1CCCN(C(=O)c2cc(Cl)c(C)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000910270414 1318592233 /nfs/dbraw/zinc/59/22/33/1318592233.db2.gz MEHSSKZYQYDAGF-GFCCVEGCSA-N 1 0 339.823 3.113 20 5 EGBDRO CC(C)([NH2+]Cc1ccc(-n2ccnc2)nc1)c1ccccc1[N+](=O)[O-] ZINC000813791831 1318633177 /nfs/dbraw/zinc/63/31/77/1318633177.db2.gz KBUQVDSGLBTLME-UHFFFAOYSA-N 1 0 337.383 3.200 20 5 EGBDRO C[C@@H]([NH2+]C[C@@H]1COc2ccccc2C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815566071 1319017546 /nfs/dbraw/zinc/01/75/46/1319017546.db2.gz IEYKASISTNIULK-CHWSQXEVSA-N 1 0 327.384 3.079 20 5 EGBDRO C[C@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccc(NC(N)=O)cc1 ZINC000815579436 1319019515 /nfs/dbraw/zinc/01/95/15/1319019515.db2.gz MXBQEEYBGYKIOD-QWRGUYRKSA-N 1 0 343.387 3.079 20 5 EGBDRO Cc1cc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)cs1 ZINC001022851351 1319136201 /nfs/dbraw/zinc/13/62/01/1319136201.db2.gz IEVBFEONAUVNEJ-GASCZTMLSA-N 1 0 345.424 3.015 20 5 EGBDRO CC(C)(CO)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)c1cccnc1 ZINC000816637619 1319198568 /nfs/dbraw/zinc/19/85/68/1319198568.db2.gz JKVLNDYMVMUHCD-MRXNPFEDSA-N 1 0 349.818 3.493 20 5 EGBDRO C[NH+](C)C1CCC(NC(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000817316326 1319324552 /nfs/dbraw/zinc/32/45/52/1319324552.db2.gz XPDFFBLCFPGPSD-UHFFFAOYSA-N 1 0 340.811 3.243 20 5 EGBDRO Cc1cc(F)cc(C(=O)NCCCCC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000818342543 1319530825 /nfs/dbraw/zinc/53/08/25/1319530825.db2.gz AYCNQPJXLBETIH-UHFFFAOYSA-N 1 0 337.395 3.038 20 5 EGBDRO CCN(CC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1C ZINC000818959117 1319590972 /nfs/dbraw/zinc/59/09/72/1319590972.db2.gz DEFLQQBSTQJOIZ-LJQANCHMSA-N 1 0 343.427 3.053 20 5 EGBDRO Cc1cccc(C)c1OC[C@@H](C)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000818974664 1319600007 /nfs/dbraw/zinc/60/00/07/1319600007.db2.gz OIIYMIPNSYMJQU-QAPCUYQASA-N 1 0 344.411 3.302 20 5 EGBDRO COc1ccc([C@@H](C)CC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000819102237 1319634771 /nfs/dbraw/zinc/63/47/71/1319634771.db2.gz HWMFFDBIQAJMNZ-LIRRHRJNSA-N 1 0 344.411 3.420 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@@H]2SCCc3ccccc32)c1 ZINC000819132657 1319643357 /nfs/dbraw/zinc/64/33/57/1319643357.db2.gz GTYFDVZHRYAFSF-ROUUACIJSA-N 1 0 344.436 3.248 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2CCCOc3c(F)cccc32)c1 ZINC000819213986 1319670244 /nfs/dbraw/zinc/67/02/44/1319670244.db2.gz NBLJOZDEHMHXIA-DLBZAZTESA-N 1 0 346.358 3.271 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H]2C[C@H]2c2ccc(Cl)cc2)cc1 ZINC000819281708 1319687978 /nfs/dbraw/zinc/68/79/78/1319687978.db2.gz MJYQOSDGRUTTNE-BBWFWOEESA-N 1 0 332.787 3.427 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2C[C@H]2c2c(F)cccc2F)c1 ZINC000819280716 1319688738 /nfs/dbraw/zinc/68/87/38/1319688738.db2.gz CYRHUGPHPXLFFM-DAXOMENPSA-N 1 0 334.322 3.052 20 5 EGBDRO C[C@H](c1ccncc1)[NH+]1CCC(Nc2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000819922292 1319803183 /nfs/dbraw/zinc/80/31/83/1319803183.db2.gz AJOBPWPUJYVMBM-CYBMUJFWSA-N 1 0 341.415 3.210 20 5 EGBDRO C[C@@H]1CCC[C@H]([N@H+](C)Cn2cc(Br)c([N+](=O)[O-])n2)C1 ZINC000917615774 1319851413 /nfs/dbraw/zinc/85/14/13/1319851413.db2.gz UAESYPDRBXHANS-ZJUUUORDSA-N 1 0 331.214 3.022 20 5 EGBDRO Cc1cc(F)cc(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1[N+](=O)[O-] ZINC000820440876 1319891133 /nfs/dbraw/zinc/89/11/33/1319891133.db2.gz NYOUMQZTAJBOGQ-UHFFFAOYSA-N 1 0 337.395 3.081 20 5 EGBDRO Cc1c(CC(=O)N2CCCC[C@@H]2[C@H](C)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000823678328 1320197888 /nfs/dbraw/zinc/19/78/88/1320197888.db2.gz JQFPQAHFUMUSAW-RHSMWYFYSA-N 1 0 347.459 3.025 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C(=O)NCC2(C)CC[NH+](C)CC2)cc1Cl ZINC000836782136 1320533398 /nfs/dbraw/zinc/53/33/98/1320533398.db2.gz WTXQVQJCVDMOCM-UHFFFAOYSA-N 1 0 339.823 3.018 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1C(=O)OC[C@H]1CCCC[N@@H+]1C(C)C ZINC000837669053 1320663632 /nfs/dbraw/zinc/66/36/32/1320663632.db2.gz ZVYUUYNJHKMKML-CQSZACIVSA-N 1 0 336.388 3.023 20 5 EGBDRO C[N@@H+]1CCCC[C@H]1CCOC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000840658644 1321124447 /nfs/dbraw/zinc/12/44/47/1321124447.db2.gz ZTETZGZBHJKHSF-BHYGNILZSA-N 1 0 332.400 3.116 20 5 EGBDRO CC(C)C[C@@](C)(C[NH3+])NC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000841233403 1321237118 /nfs/dbraw/zinc/23/71/18/1321237118.db2.gz SRFXXYSKBDNCQC-AWEZNQCLSA-N 1 0 328.800 3.133 20 5 EGBDRO Cc1nn(C[N@H+]2CC3(C[C@H]2C)CCOCC3)c2ccc([N+](=O)[O-])cc12 ZINC000842638553 1321411042 /nfs/dbraw/zinc/41/10/42/1321411042.db2.gz LTKFWCGFMSQENW-CYBMUJFWSA-N 1 0 344.415 3.101 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1-c1noc(C[C@@H](C)[C@@H]2CCC[NH2+]C2)n1 ZINC000843187664 1321483995 /nfs/dbraw/zinc/48/39/95/1321483995.db2.gz SGOARTPOAGCWHT-DGCLKSJQSA-N 1 0 330.388 3.131 20 5 EGBDRO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C[C@@]1(O)CCc2ccccc21 ZINC000843421507 1321516257 /nfs/dbraw/zinc/51/62/57/1321516257.db2.gz QNEAKNQGFXLRJL-ZGBFETHSSA-N 1 0 338.407 3.374 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N(C)Cc1ccc(C[NH+](C)C)cc1 ZINC000843780295 1321546733 /nfs/dbraw/zinc/54/67/33/1321546733.db2.gz DLZBHXQMOHYUBJ-UHFFFAOYSA-N 1 0 341.411 3.237 20 5 EGBDRO C[C@H](COC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)[NH+]1CCCCC1 ZINC000847963793 1321917573 /nfs/dbraw/zinc/91/75/73/1321917573.db2.gz SVCPFYXFYIRWAJ-CHWSQXEVSA-N 1 0 338.379 3.255 20 5 EGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@]1(O)CCCc2ccccc21 ZINC000848529626 1321970109 /nfs/dbraw/zinc/97/01/09/1321970109.db2.gz ZKNMABWRHXDZSB-AZUAARDMSA-N 1 0 338.407 3.396 20 5 EGBDRO COC(=O)/C=C/c1ccc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])o1 ZINC000848911927 1322043538 /nfs/dbraw/zinc/04/35/38/1322043538.db2.gz YZDRFMIEAHEJJE-MDZDMXLPSA-N 1 0 344.367 3.049 20 5 EGBDRO Cc1c(C[NH2+]C[C@H]2CCCN2CC(F)(F)F)cccc1[N+](=O)[O-] ZINC000922707585 1322598554 /nfs/dbraw/zinc/59/85/54/1322598554.db2.gz RHPVKRGBSQRDKS-CYBMUJFWSA-N 1 0 331.338 3.020 20 5 EGBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000859644426 1329043991 /nfs/dbraw/zinc/04/39/91/1329043991.db2.gz IRRIILQNBMMMFS-LBPRGKRZSA-N 1 0 339.823 3.195 20 5 EGBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000931297589 1329088335 /nfs/dbraw/zinc/08/83/35/1329088335.db2.gz KXNZVNSNYIWICS-LLVKDONJSA-N 1 0 340.811 3.195 20 5 EGBDRO O=[N+]([O-])c1cc(C(F)F)ccc1N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000853363320 1325084788 /nfs/dbraw/zinc/08/47/88/1325084788.db2.gz QDECMOPFHOGJFM-LBPRGKRZSA-N 1 0 325.359 3.455 20 5 EGBDRO C[C@@H]1CCC[C@@H]([N@H+](C)Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)C1 ZINC000853489124 1325102853 /nfs/dbraw/zinc/10/28/53/1325102853.db2.gz GSEHAUJSHWIQGW-ZIAGYGMSSA-N 1 0 329.404 3.321 20 5 EGBDRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000854650121 1325289373 /nfs/dbraw/zinc/28/93/73/1325289373.db2.gz NFWHJNLDWAEEQL-QPUJVOFHSA-N 1 0 346.214 3.066 20 5 EGBDRO C[C@H]([NH2+]C[C@@H]1CCCN1CC(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000926927399 1327780681 /nfs/dbraw/zinc/78/06/81/1327780681.db2.gz VDDCDNFZXJHFNQ-FZMZJTMJSA-N 1 0 331.338 3.272 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCc1nc2c(s1)CCC2 ZINC000926930168 1327782097 /nfs/dbraw/zinc/78/20/97/1327782097.db2.gz VLCNXHDTLUKFLZ-NSHDSACASA-N 1 0 347.440 3.442 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC([NH2+]C2CCC2)CC1 ZINC000929119167 1328510320 /nfs/dbraw/zinc/51/03/20/1328510320.db2.gz AWGSWMOUPRGAQF-UHFFFAOYSA-N 1 0 332.404 3.042 20 5 EGBDRO C[C@@H]([NH2+]CC(=O)N[C@@H](C)c1cccs1)c1ccc([N+](=O)[O-])cc1 ZINC000932182741 1329791749 /nfs/dbraw/zinc/79/17/49/1329791749.db2.gz NJPHKPNVWFGXSW-NEPJUHHUSA-N 1 0 333.413 3.184 20 5 EGBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@H](c2nc3c(s2)CCC3)C1 ZINC000932189383 1329792609 /nfs/dbraw/zinc/79/26/09/1329792609.db2.gz VQIPIONTRNAVJT-ZDUSSCGKSA-N 1 0 344.440 3.315 20 5 EGBDRO Cc1noc(C[C@@H]2CCC[N@H+](Cc3cccc([N+](=O)[O-])c3C)C2)n1 ZINC000933575468 1329902642 /nfs/dbraw/zinc/90/26/42/1329902642.db2.gz AQTQWYBJVOCPMM-AWEZNQCLSA-N 1 0 330.388 3.049 20 5 EGBDRO CCN(CCC[NH+]1CCCC1)C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000935591944 1330062443 /nfs/dbraw/zinc/06/24/43/1330062443.db2.gz SNKGZZSZBINAKN-QZTJIDSGSA-N 1 0 345.443 3.033 20 5 EGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCCOCC(F)(F)F ZINC000866230060 1330081044 /nfs/dbraw/zinc/08/10/44/1330081044.db2.gz WEBATPDMEDPCKF-SNVBAGLBSA-N 1 0 338.301 3.224 20 5 EGBDRO Cc1cccc([C@@H](O)C[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])c1 ZINC000866307324 1330093697 /nfs/dbraw/zinc/09/36/97/1330093697.db2.gz YAFMLGQWFXJDIO-UGSOOPFHSA-N 1 0 332.375 3.297 20 5 EGBDRO Cc1cccc([C@H](O)C[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])c1 ZINC000866307322 1330093727 /nfs/dbraw/zinc/09/37/27/1330093727.db2.gz YAFMLGQWFXJDIO-FZKQIMNGSA-N 1 0 332.375 3.297 20 5 EGBDRO C[C@@H](C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)CC1(C)OCCO1 ZINC000866425776 1330110291 /nfs/dbraw/zinc/11/02/91/1330110291.db2.gz NXYKZQMGAIHRHE-PBHICJAKSA-N 1 0 348.443 3.295 20 5 EGBDRO Cc1ccc([C@@H](C)NC(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)s1 ZINC000867942599 1330230861 /nfs/dbraw/zinc/23/08/61/1330230861.db2.gz DDSCKLWOKOVPRR-BDJLRTHQSA-N 1 0 333.413 3.016 20 5 EGBDRO CSc1ccc(-c2nc([C@H]3C[NH+]4CCC3CC4)no2)cc1[N+](=O)[O-] ZINC001323916384 1387496252 /nfs/dbraw/zinc/49/62/52/1387496252.db2.gz XWDSGESTXRDCHV-LBPRGKRZSA-N 1 0 346.412 3.176 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001323971957 1387501899 /nfs/dbraw/zinc/50/18/99/1387501899.db2.gz JKSNUPPKIJOECB-ZFWWWQNUSA-N 1 0 334.420 3.206 20 5 EGBDRO CCc1nn(C)c(Nc2cccc(C[NH+]3CCCC3)c2)c1[N+](=O)[O-] ZINC001324039808 1387516079 /nfs/dbraw/zinc/51/60/79/1387516079.db2.gz TZDJBZIQBNUIEN-UHFFFAOYSA-N 1 0 329.404 3.230 20 5 EGBDRO CN(C(=O)C[N@@H+]1CC[C@H]2CCCC[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC001324141136 1387547815 /nfs/dbraw/zinc/54/78/15/1387547815.db2.gz WQRSWXXSOGWLAM-CABCVRRESA-N 1 0 331.416 3.070 20 5 EGBDRO Cc1cncc([N+](=O)[O-])c1N1CC[N@H+](Cc2ccccc2)C[C@H](C)C1 ZINC001324720033 1387750777 /nfs/dbraw/zinc/75/07/77/1387750777.db2.gz HKPOMJUPMCKBBQ-HNNXBMFYSA-N 1 0 340.427 3.257 20 5 EGBDRO CCCCCC(=O)N1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001199334844 1369209187 /nfs/dbraw/zinc/20/91/87/1369209187.db2.gz KNVIECZBQUUNRN-UHFFFAOYSA-N 1 0 333.432 3.256 20 5 EGBDRO CC/C(C)=C\C(=O)N1CCC([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC001200406407 1369361849 /nfs/dbraw/zinc/36/18/49/1369361849.db2.gz RFUMCQPBZVIJLL-WQLSENKSSA-N 1 0 337.445 3.093 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCCC[C@@H]2[NH+](C)C)cc1Cl ZINC001325684925 1388030913 /nfs/dbraw/zinc/03/09/13/1388030913.db2.gz WZDWWKRMSPAGQP-KGLIPLIRSA-N 1 0 339.823 3.159 20 5 EGBDRO CC[NH+]1CCN(c2ccc(Nc3cccc([N+](=O)[O-])c3)cc2)CC1 ZINC001204455480 1370481550 /nfs/dbraw/zinc/48/15/50/1370481550.db2.gz CWCCWWCZVPWTFY-UHFFFAOYSA-N 1 0 326.400 3.480 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(C[NH2+]CCN2CCC2)o1 ZINC001116357987 1370893355 /nfs/dbraw/zinc/89/33/55/1370893355.db2.gz GJVRJQPAAWOROI-UHFFFAOYSA-N 1 0 335.791 3.304 20 5 EGBDRO Cc1cncc([N+](=O)[O-])c1N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC001117296535 1371034637 /nfs/dbraw/zinc/03/46/37/1371034637.db2.gz SJARVJFDUGQNDN-MRXNPFEDSA-N 1 0 326.400 3.009 20 5 EGBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC001117667784 1371059840 /nfs/dbraw/zinc/05/98/40/1371059840.db2.gz OEYBERFBALJBSG-NSHDSACASA-N 1 0 340.811 3.102 20 5 EGBDRO CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2-c1ccc[nH]c1=O ZINC001206470250 1371064486 /nfs/dbraw/zinc/06/44/86/1371064486.db2.gz HSLKHJPAGGVOTC-UHFFFAOYSA-N 1 0 346.390 3.345 20 5 EGBDRO CO[C@H](C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC001326283823 1388141917 /nfs/dbraw/zinc/14/19/17/1388141917.db2.gz QQPMATPUYBBQFS-PIGZYNQJSA-N 1 0 333.363 3.354 20 5 EGBDRO CCCCC(=O)NC1CC2(C1)CC([NH2+]Cc1ccccc1[N+](=O)[O-])C2 ZINC001120639618 1371675016 /nfs/dbraw/zinc/67/50/16/1371675016.db2.gz IXZVQXZGWDDVGP-UHFFFAOYSA-N 1 0 345.443 3.302 20 5 EGBDRO CCC(C)(C)CC(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001121159127 1371871257 /nfs/dbraw/zinc/87/12/57/1371871257.db2.gz DSMLEHMOXALISC-UHFFFAOYSA-N 1 0 348.447 3.111 20 5 EGBDRO [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC001122104185 1372175011 /nfs/dbraw/zinc/17/50/11/1372175011.db2.gz WPZFBMFPBDJPHT-XLAORIBOSA-N 1 0 337.379 3.152 20 5 EGBDRO CCC[N@@H+]1CCc2c(N)sc(Nc3ccc(N)c([N+](=O)[O-])c3)c2C1 ZINC001209933857 1372236507 /nfs/dbraw/zinc/23/65/07/1372236507.db2.gz CEZDNGVSYSAPFK-UHFFFAOYSA-N 1 0 347.444 3.332 20 5 EGBDRO COc1ncc(Nc2cccc3c2OCC[C@@H]3[NH+](C)C)cc1[N+](=O)[O-] ZINC001210140614 1372280343 /nfs/dbraw/zinc/28/03/43/1372280343.db2.gz XZGQEGWIUGCOKC-AWEZNQCLSA-N 1 0 344.371 3.127 20 5 EGBDRO O=c1c2ccc(O)cc2oc2cc(O[C@H]3CCC[NH2+]C[C@H]3F)ccc12 ZINC001217952610 1373517857 /nfs/dbraw/zinc/51/78/57/1373517857.db2.gz VHUDVMKGIZRAHM-CVEARBPZSA-N 1 0 343.354 3.121 20 5 EGBDRO O=c1c2ccc(O)cc2oc2cc(O[C@@H]3CCCC[NH2+]C3)ccc12 ZINC001217970711 1373521871 /nfs/dbraw/zinc/52/18/71/1373521871.db2.gz PMAMFUDBSTUBBR-CQSZACIVSA-N 1 0 325.364 3.173 20 5 EGBDRO Cc1cc(Br)cc([N+](=O)[O-])c1O[C@@H]1C[NH2+]CCC[C@@H]1F ZINC001217977400 1373523562 /nfs/dbraw/zinc/52/35/62/1373523562.db2.gz ATGJXJCTJSAJSF-CMPLNLGQSA-N 1 0 347.184 3.135 20 5 EGBDRO C[C@@H]1C[NH2+]CCC[C@@H]1Oc1cccc([N+](=O)[O-])c1Br ZINC001217989145 1373528114 /nfs/dbraw/zinc/52/81/14/1373528114.db2.gz RXQXKNNJABFNTP-KOLCDFICSA-N 1 0 329.194 3.124 20 5 EGBDRO C[C@H](Oc1c(Br)cc(F)cc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC001218010528 1373536052 /nfs/dbraw/zinc/53/60/52/1373536052.db2.gz WHPAITIQDXXQMO-QMMMGPOBSA-N 1 0 347.184 3.263 20 5 EGBDRO Cc1cc(Br)cc([N+](=O)[O-])c1O[C@H]1CC[NH2+]CC[C@H]1F ZINC001218017465 1373538991 /nfs/dbraw/zinc/53/89/91/1373538991.db2.gz JOXIBTCCKYLKQV-PWSUYJOCSA-N 1 0 347.184 3.135 20 5 EGBDRO C[C@@H]1CC[NH2+]CC[C@H]1Oc1cccc(Br)c1[N+](=O)[O-] ZINC001218030453 1373543264 /nfs/dbraw/zinc/54/32/64/1373543264.db2.gz RDOGPSYZZWTRNL-MWLCHTKSSA-N 1 0 329.194 3.124 20 5 EGBDRO C[C@H]1CC[NH2+]CC[C@H]1Oc1cc([N+](=O)[O-])cc(F)c1Br ZINC001218031415 1373543336 /nfs/dbraw/zinc/54/33/36/1373543336.db2.gz OAIQTKFLIDYJHF-GZMMTYOYSA-N 1 0 347.184 3.263 20 5 EGBDRO O=[N+]([O-])c1cc(O[C@@H]2CCC[C@@H]3C[NH2+]C[C@@H]32)ccc1C(F)(F)F ZINC001218144970 1373568522 /nfs/dbraw/zinc/56/85/22/1373568522.db2.gz WJIVKZWLYGAEBV-OLUVUFQESA-N 1 0 330.306 3.381 20 5 EGBDRO Cc1c(Cl)cc([N+](=O)[O-])c(O[C@H](C)C2C[NH2+]C2)c1Br ZINC001218198780 1373577654 /nfs/dbraw/zinc/57/76/54/1373577654.db2.gz RDUHJGQBMJCTQQ-SSDOTTSWSA-N 1 0 349.612 3.306 20 5 EGBDRO CC1(C)C[NH2+]CC[C@@H]1Oc1cc(Br)cc([N+](=O)[O-])c1 ZINC001218315332 1373593816 /nfs/dbraw/zinc/59/38/16/1373593816.db2.gz LCYIGURUVLOAPH-LBPRGKRZSA-N 1 0 329.194 3.124 20 5 EGBDRO CC1(C)C[NH2+]CC[C@H]1Oc1cc([N+](=O)[O-])c(Br)cc1F ZINC001218316730 1373594447 /nfs/dbraw/zinc/59/44/47/1373594447.db2.gz XXCTUERHERHJTN-GFCCVEGCSA-N 1 0 347.184 3.263 20 5 EGBDRO C[C@H](Oc1ccccc1N1CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC001218342994 1373600756 /nfs/dbraw/zinc/60/07/56/1373600756.db2.gz CNVPAFKEHQOWCI-AWEZNQCLSA-N 1 0 327.384 3.144 20 5 EGBDRO C[C@@H]1CC[C@H](Oc2cc([N+](=O)[O-])c(F)cc2Br)C[NH2+]1 ZINC001218395258 1373606685 /nfs/dbraw/zinc/60/66/85/1373606685.db2.gz VFSVSNLJSDUOMS-SFYZADRCSA-N 1 0 333.157 3.016 20 5 EGBDRO C[C@H]1C[NH2+]CC[C@@H]1Oc1c(Br)cc(Cl)cc1[N+](=O)[O-] ZINC001218426393 1373611022 /nfs/dbraw/zinc/61/10/22/1373611022.db2.gz WSWVOSVSKMLJFS-CPCISQLKSA-N 1 0 349.612 3.388 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1O[C@@H]1C[NH2+]CCC1(F)F ZINC001218452863 1373615864 /nfs/dbraw/zinc/61/58/64/1373615864.db2.gz FPZJFGWUDVWWFS-SECBINFHSA-N 1 0 327.114 3.278 20 5 EGBDRO O=[N+]([O-])c1ccc(CCO[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC001224327746 1375064971 /nfs/dbraw/zinc/06/49/71/1375064971.db2.gz GSBQFBLIVAEVNC-LJQANCHMSA-N 1 0 326.396 3.428 20 5 EGBDRO O=[N+]([O-])c1cccnc1O[C@@H]1CCCN(Cc2ccccc2F)C1 ZINC001225595715 1375129877 /nfs/dbraw/zinc/12/98/77/1375129877.db2.gz KRWPJEKOXOGNLE-CQSZACIVSA-N 1 0 331.347 3.172 20 5 EGBDRO O=[N+]([O-])c1cccnc1O[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC001225598659 1375130236 /nfs/dbraw/zinc/13/02/36/1375130236.db2.gz XRHRFXDDVJFTOU-JFIYKMOQSA-N 1 0 339.395 3.279 20 5 EGBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Oc1ccc([N+](=O)[O-])cn1 ZINC001225634529 1375136297 /nfs/dbraw/zinc/13/62/97/1375136297.db2.gz ZVKOCVWICCVLTI-YOEHRIQHSA-N 1 0 327.384 3.279 20 5 EGBDRO O=[N+]([O-])c1ccc(O[C@@H]2CC[N@H+](Cc3ccccc3Cl)C2)nc1 ZINC001225635081 1375136367 /nfs/dbraw/zinc/13/63/67/1375136367.db2.gz XFMCDGANUVOMML-CQSZACIVSA-N 1 0 333.775 3.297 20 5 EGBDRO Cc1cc(OC2CC[NH+](CCc3ccccc3)CC2)ncc1[N+](=O)[O-] ZINC001225658713 1375139770 /nfs/dbraw/zinc/13/97/70/1375139770.db2.gz KPNWJAQXVHEARN-UHFFFAOYSA-N 1 0 341.411 3.384 20 5 EGBDRO O=[N+]([O-])c1cccc(O[C@H]2CC[C@@H]([NH+]3CCOCC3)CC2)c1Cl ZINC001225789921 1375156029 /nfs/dbraw/zinc/15/60/29/1375156029.db2.gz XNIGVKKGIBFYJR-BETUJISGSA-N 1 0 340.807 3.270 20 5 EGBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ncc([N+](=O)[O-])cc1C(F)(F)F)C2 ZINC001225899194 1375171575 /nfs/dbraw/zinc/17/15/75/1375171575.db2.gz VYQGGVYUISWYGW-JZYVYDRUSA-N 1 0 331.294 3.013 20 5 EGBDRO COc1cc(O[C@H](CC[NH+](C)C)c2ccccc2)ncc1[N+](=O)[O-] ZINC001226580848 1375285459 /nfs/dbraw/zinc/28/54/59/1375285459.db2.gz GLGLCDYNHBYHGE-OAHLLOKOSA-N 1 0 331.372 3.070 20 5 EGBDRO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1Oc1ccc([N+](=O)[O-])nc1 ZINC001226710474 1375314160 /nfs/dbraw/zinc/31/41/60/1375314160.db2.gz LQXVGIWAYTXQCP-RHSMWYFYSA-N 1 0 327.384 3.279 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1O[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001227183833 1375404212 /nfs/dbraw/zinc/40/42/12/1375404212.db2.gz XAIQDUSVLHVIEY-MRXNPFEDSA-N 1 0 328.368 3.257 20 5 EGBDRO CC(C)[N@@H+]1CCC[C@H](Oc2ccc(Br)nc2[N+](=O)[O-])C1 ZINC001227261307 1375413727 /nfs/dbraw/zinc/41/37/27/1375413727.db2.gz ZFBFWGXPWPOXJD-JTQLQIEISA-N 1 0 344.209 3.004 20 5 EGBDRO C[C@H](C[N+](C)(C)C)Oc1ccccc1-c1nc(=O)c2ccccc2o1 ZINC001227732090 1375467277 /nfs/dbraw/zinc/46/72/77/1375467277.db2.gz CIVGINFXYRKJQB-CQSZACIVSA-N 1 0 339.415 3.329 20 5 EGBDRO CC(=O)c1cccc([N+](=O)[O-])c1OC1CCN(c2cc[nH+]cc2)CC1 ZINC001228971211 1375727235 /nfs/dbraw/zinc/72/72/35/1375727235.db2.gz MYGGXIAAWWOXAT-UHFFFAOYSA-N 1 0 341.367 3.240 20 5 EGBDRO CC(=O)c1cccc(O[C@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC001229132299 1375771007 /nfs/dbraw/zinc/77/10/07/1375771007.db2.gz RMCTZKGTKZLWAN-INIZCTEOSA-N 1 0 340.379 3.451 20 5 EGBDRO C[C@@H](C[N+](C)(C)C)Oc1ccccc1OCCOc1ccccc1O ZINC001229387212 1375825083 /nfs/dbraw/zinc/82/50/83/1375825083.db2.gz UANQMXBQZDEPQK-INIZCTEOSA-O 1 0 346.447 3.324 20 5 EGBDRO CC(=O)c1c(F)cc(Br)cc1O[C@@H](C)C[N+](C)(C)C ZINC001230597238 1376091791 /nfs/dbraw/zinc/09/17/91/1376091791.db2.gz LYFMKEXFLUJVRF-VIFPVBQESA-N 1 0 333.221 3.264 20 5 EGBDRO CC(=O)N(C)C1CC[NH+](Cc2ccc3ccc4cccnc4c3n2)CC1 ZINC001232226136 1376420195 /nfs/dbraw/zinc/42/01/95/1376420195.db2.gz SABZICKCFFALSK-UHFFFAOYSA-N 1 0 348.450 3.226 20 5 EGBDRO COC(=O)c1ccc(O[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)cc1[N+](=O)[O-] ZINC001234049734 1376760174 /nfs/dbraw/zinc/76/01/74/1376760174.db2.gz BWPVVTSOIOCYSF-NHAGDIPZSA-N 1 0 348.399 3.164 20 5 EGBDRO CC1(C)C2CCC1(C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)CC2 ZINC001134987150 1376829176 /nfs/dbraw/zinc/82/91/76/1376829176.db2.gz GNRMYVJGWDUPEF-UHFFFAOYSA-N 1 0 345.443 3.017 20 5 EGBDRO COC(=O)C[C@H]1CNCC[N@@H+]1Cc1c2ccccc2cc2ccccc21 ZINC001235847582 1376900920 /nfs/dbraw/zinc/90/09/20/1376900920.db2.gz VOYLUGKIZVKNSB-SFHVURJKSA-N 1 0 348.446 3.330 20 5 EGBDRO CCC(=O)C(=O)Nc1cc2oc3cc(=[NH2+])ccc-3nc2c2ccccc12 ZINC001143967958 1378664344 /nfs/dbraw/zinc/66/43/44/1378664344.db2.gz AKQJUDZQICQVSK-UHFFFAOYSA-N 1 0 345.358 3.483 20 5 EGBDRO C[C@@H]1C[NH2+]CCC[C@H]1CNc1nc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001155022875 1380393505 /nfs/dbraw/zinc/39/35/05/1380393505.db2.gz BTMPPHHXDLPAFN-BDAKNGLRSA-N 1 0 333.219 3.344 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)ncnc2N[C@@H]1CC[NH2+][C@H]1c1ccccc1 ZINC001155549119 1380466969 /nfs/dbraw/zinc/46/69/69/1380466969.db2.gz HKDSPVQWXJAMAO-WBVHZDCISA-N 1 0 335.367 3.053 20 5 EGBDRO O=[N+]([O-])c1c(Cl)nc(Cl)nc1N[C@@H]1C[NH2+]Cc2ccsc21 ZINC001155558870 1380467830 /nfs/dbraw/zinc/46/78/30/1380467830.db2.gz IITOJRVDVKCSDG-ZCFIWIBFSA-N 1 0 346.199 3.010 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(N2CC[NH2+]C[C@H]2c2cccs2)nc1Cl ZINC001156097457 1380524611 /nfs/dbraw/zinc/52/46/11/1380524611.db2.gz IVKRXOZGYNDESU-NSHDSACASA-N 1 0 338.820 3.164 20 5 EGBDRO O=[N+]([O-])c1cc2ccccc2nc1N1CC[NH2+]C[C@H]1c1cccs1 ZINC001156109473 1380526357 /nfs/dbraw/zinc/52/63/57/1380526357.db2.gz CFJLZQCDJHLTPW-HNNXBMFYSA-N 1 0 340.408 3.355 20 5 EGBDRO CC(C(=O)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1)=C1CCCC1 ZINC001156429976 1380575086 /nfs/dbraw/zinc/57/50/86/1380575086.db2.gz MRCMIWBTXDNXEH-UHFFFAOYSA-N 1 0 337.445 3.143 20 5 EGBDRO CC(C(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)=C1CCCC1 ZINC001156430574 1380575164 /nfs/dbraw/zinc/57/51/64/1380575164.db2.gz XVOHQCBWBUNZSQ-UHFFFAOYSA-N 1 0 331.416 3.081 20 5 EGBDRO C[NH2+]CCNc1nc(-c2ccc(C)c([N+](=O)[O-])c2)nc2sccc21 ZINC001156897423 1380720349 /nfs/dbraw/zinc/72/03/49/1380720349.db2.gz PDUBDRBUQWBHFA-UHFFFAOYSA-N 1 0 343.412 3.206 20 5 EGBDRO N=C(Nc1ccc2ccc3ccc(Cl)nc3c2n1)SCC[NH3+] ZINC001157129495 1380783106 /nfs/dbraw/zinc/78/31/06/1380783106.db2.gz NDAFYXWQYOCLKH-UHFFFAOYSA-N 1 0 331.832 3.475 20 5 EGBDRO C[N@@H+]1CCC[C@@H]2CN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)C[C@H]21 ZINC001157282587 1380832803 /nfs/dbraw/zinc/83/28/03/1380832803.db2.gz OHIAQCWTQBBDPQ-NVXWUHKLSA-N 1 0 338.411 3.187 20 5 EGBDRO CC(C)c1ccc(C(=O)N2CCCC3(CC[NH2+]CC3)C2)cc1[N+](=O)[O-] ZINC001328202902 1388688575 /nfs/dbraw/zinc/68/85/75/1388688575.db2.gz GNARDFVSEQGQSC-UHFFFAOYSA-N 1 0 345.443 3.324 20 5 EGBDRO [NH3+]CC[C@@H]1CN(c2cnc3cc([N+](=O)[O-])ccc3n2)c2ccccc21 ZINC001157739373 1381018266 /nfs/dbraw/zinc/01/82/66/1381018266.db2.gz JXWWGXDETVTLIP-GFCCVEGCSA-N 1 0 335.367 3.122 20 5 EGBDRO [NH3+]C[C@]1(F)CCN(c2ccc3ccc4ccc(Cl)nc4c3n2)C1 ZINC001157814008 1381041878 /nfs/dbraw/zinc/04/18/78/1381041878.db2.gz VIHHVBUVOQJNJR-QGZVFWFLSA-N 1 0 330.794 3.314 20 5 EGBDRO CC(C)(C)CN(c1cc(Cl)ncc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC001157883914 1381059191 /nfs/dbraw/zinc/05/91/91/1381059191.db2.gz GVISLFLIVGLBRU-UHFFFAOYSA-N 1 0 326.828 3.248 20 5 EGBDRO Cc1c[nH+]ccc1N1CCN(c2ccc3cccc([N+](=O)[O-])c3n2)CC1 ZINC001158105321 1381129170 /nfs/dbraw/zinc/12/91/70/1381129170.db2.gz JPLKRWPYQKQHSF-UHFFFAOYSA-N 1 0 349.394 3.173 20 5 EGBDRO COc1cc(C)nc(N[C@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)c1[N+](=O)[O-] ZINC001158269125 1381179151 /nfs/dbraw/zinc/17/91/51/1381179151.db2.gz QVXDBJMPHSRINO-SJCJKPOMSA-N 1 0 336.436 3.262 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(N(C2CCCC2)C2CC[NH+](C)CC2)n1 ZINC001158487685 1381265232 /nfs/dbraw/zinc/26/52/32/1381265232.db2.gz MUOGTASCHAJXLS-UHFFFAOYSA-N 1 0 332.448 3.450 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1Nc1cccnc1OCC1CC[NH2+]CC1 ZINC001159295017 1381755446 /nfs/dbraw/zinc/75/54/46/1381755446.db2.gz COAMVHOPRMOUTJ-UHFFFAOYSA-N 1 0 342.399 3.420 20 5 EGBDRO Cc1c(Nc2cccc3c2CC[NH2+]C3)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001159547535 1381824829 /nfs/dbraw/zinc/82/48/29/1381824829.db2.gz DSBXPUBJVOUNRD-UHFFFAOYSA-N 1 0 328.328 3.201 20 5 EGBDRO O=[N+]([O-])c1ccc(F)c(Nc2ccc(O[C@@H]3CC[NH2+]C3)cc2)c1F ZINC001159922577 1381938586 /nfs/dbraw/zinc/93/85/86/1381938586.db2.gz KXPBMUWJSWUIDY-GFCCVEGCSA-N 1 0 335.310 3.357 20 5 EGBDRO [NH3+][C@@H]1CCCN(c2ccccc2Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC001159977217 1381956227 /nfs/dbraw/zinc/95/62/27/1381956227.db2.gz AKHLDLDVDWZWNF-GFCCVEGCSA-N 1 0 330.363 3.405 20 5 EGBDRO [NH3+]Cc1ccc2cn(-c3nc(Cl)cc(Cl)c3[N+](=O)[O-])nc2c1 ZINC001160140487 1382012801 /nfs/dbraw/zinc/01/28/01/1382012801.db2.gz DJQIAVOFYIHSRZ-UHFFFAOYSA-N 1 0 338.154 3.094 20 5 EGBDRO O=[N+]([O-])c1cc(F)ccc1Nc1cc(F)ccc1O[C@@H]1CC[NH2+]C1 ZINC001160141937 1382013610 /nfs/dbraw/zinc/01/36/10/1382013610.db2.gz XMDKCTQKHPLOMG-GFCCVEGCSA-N 1 0 335.310 3.357 20 5 EGBDRO O=[N+]([O-])c1ccc(Nc2cccc3c2[C@H]2C[NH2+]C[C@@H]2O3)c(Cl)c1 ZINC001160397411 1382093503 /nfs/dbraw/zinc/09/35/03/1382093503.db2.gz HDMPOLWZNQBVNZ-BONVTDFDSA-N 1 0 331.759 3.440 20 5 EGBDRO C[C@H](CNc1ncnc2c(Cl)cc([N+](=O)[O-])cc12)[N@H+](C)C1CC1 ZINC001328519274 1388769544 /nfs/dbraw/zinc/76/95/44/1388769544.db2.gz SUCCLXFTUXMKBI-SECBINFHSA-N 1 0 335.795 3.086 20 5 EGBDRO COC1([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2Br)CCC1 ZINC001328614626 1388789199 /nfs/dbraw/zinc/78/91/99/1388789199.db2.gz AIQIYBFUZUQSOE-JTQLQIEISA-N 1 0 343.221 3.405 20 5 EGBDRO O=[N+]([O-])c1cc(F)cnc1N[C@@H](c1cccc(F)c1)C1CC[NH2+]CC1 ZINC001161818906 1382519879 /nfs/dbraw/zinc/51/98/79/1382519879.db2.gz BCLSCKCMDMSEFO-MRXNPFEDSA-N 1 0 348.353 3.421 20 5 EGBDRO O=[N+]([O-])c1ccnc(N[C@H](c2cccc(F)c2)C2CC[NH2+]CC2)c1 ZINC001161820599 1382520210 /nfs/dbraw/zinc/52/02/10/1382520210.db2.gz MMIIZRXVWFNZLV-KRWDZBQOSA-N 1 0 330.363 3.282 20 5 EGBDRO Cc1cc(C(=O)NCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)c(C)s1 ZINC001161977631 1382584287 /nfs/dbraw/zinc/58/42/87/1382584287.db2.gz BOLUQULKBLFRGL-UHFFFAOYSA-N 1 0 347.440 3.183 20 5 EGBDRO CCc1ccc(C(=O)NCCC[NH2+]Cc2ccccc2[N+](=O)[O-])s1 ZINC001161985934 1382588539 /nfs/dbraw/zinc/58/85/39/1382588539.db2.gz HRRSWDZBLZQJFX-UHFFFAOYSA-N 1 0 347.440 3.128 20 5 EGBDRO Cc1ccnc(-n2cc(CC[NH3+])c3c2cccc3Cl)c1[N+](=O)[O-] ZINC001162653640 1382821932 /nfs/dbraw/zinc/82/19/32/1382821932.db2.gz BPEYWINICTXZCW-UHFFFAOYSA-N 1 0 330.775 3.397 20 5 EGBDRO Cc1c(NCc2ccc3c(c2)CC[NH2+]C3)ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001162809522 1382880238 /nfs/dbraw/zinc/88/02/38/1382880238.db2.gz FCVKWQJRUOLXHB-UHFFFAOYSA-N 1 0 342.355 3.069 20 5 EGBDRO O=[N+]([O-])c1cc2cc[nH]c2c(NCC[C@H]2C[NH2+]Cc3cccn3C2)c1 ZINC001163060421 1382958485 /nfs/dbraw/zinc/95/84/85/1382958485.db2.gz MELLSTHMKZKMKX-ZDUSSCGKSA-N 1 0 339.399 3.099 20 5 EGBDRO Cc1c(N[C@@H]2C[NH2+]Cc3ccsc32)ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001163230315 1383000982 /nfs/dbraw/zinc/00/09/82/1383000982.db2.gz VDRQGTBRUKNZJZ-LLVKDONJSA-N 1 0 334.357 3.129 20 5 EGBDRO CC(C)(C)c1ccc(NC[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)c([N+](=O)[O-])c1 ZINC001163283572 1383012762 /nfs/dbraw/zinc/01/27/62/1383012762.db2.gz HLSHXSSUYYORRJ-KUHUBIRLSA-N 1 0 347.459 3.463 20 5 EGBDRO c1ccc2cc3c(cc2c1)ncnc3N[C@@H]1CCO[C@@]2(CC[NH2+]C2)C1 ZINC001163314552 1383019933 /nfs/dbraw/zinc/01/99/33/1383019933.db2.gz GQXKFVJLDVZZLN-UZLBHIALSA-N 1 0 334.423 3.106 20 5 EGBDRO CC(C)[N@@H+]1CC[C@H](Nc2cc(/C=C/N(C)C)c([N+](=O)[O-])cn2)[C@H](C)C1 ZINC001163367476 1383032942 /nfs/dbraw/zinc/03/29/42/1383032942.db2.gz ZIGAZBCHRLKWDG-BIYNOUFRSA-N 1 0 347.463 3.053 20 5 EGBDRO CC/C=C(\C)C(=O)NCCC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001163676918 1383103573 /nfs/dbraw/zinc/10/35/73/1383103573.db2.gz ONYGMOARBDFWAZ-GIDUJCDVSA-N 1 0 345.443 3.327 20 5 EGBDRO CN1CCC(CNc2ncnc3cc4ccccc4cc32)([NH+](C)C)CC1 ZINC001164210595 1383166375 /nfs/dbraw/zinc/16/63/75/1383166375.db2.gz FZILDDRMQWZLIL-UHFFFAOYSA-N 1 0 349.482 3.221 20 5 EGBDRO CN1CCC(CNc2ccc(C(C)(C)C)cc2[N+](=O)[O-])([NH+](C)C)CC1 ZINC001164212849 1383166723 /nfs/dbraw/zinc/16/67/23/1383166723.db2.gz GWYHLIYVOLDWLF-UHFFFAOYSA-N 1 0 348.491 3.330 20 5 EGBDRO O=[N+]([O-])c1ccc2nc(Cl)cc(N3CC[C@]4(C3)CCC[NH2+]C4)c2c1 ZINC001165242693 1383256561 /nfs/dbraw/zinc/25/65/61/1383256561.db2.gz JFEQAMBVBYTTRN-QGZVFWFLSA-N 1 0 346.818 3.376 20 5 EGBDRO O=[N+]([O-])c1cnc(N2CCC3(CCCC[NH2+]3)CC2)c2ccccc21 ZINC001165246435 1383257852 /nfs/dbraw/zinc/25/78/52/1383257852.db2.gz LSJWWXPOEWNRPQ-UHFFFAOYSA-N 1 0 326.400 3.256 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)ncc1NCC1C[NH+](Cc2ccccc2)C1 ZINC001165427356 1383293600 /nfs/dbraw/zinc/29/36/00/1383293600.db2.gz OHCUNYXDDVOSQC-UHFFFAOYSA-N 1 0 332.791 3.187 20 5 EGBDRO COc1cnc(-n2c([C@H]3CCC[NH2+]3)cc3ccccc32)c([N+](=O)[O-])c1 ZINC001166651988 1383453431 /nfs/dbraw/zinc/45/34/31/1383453431.db2.gz KVDIEGCRVWKXAR-CQSZACIVSA-N 1 0 338.367 3.367 20 5 EGBDRO O=[N+]([O-])c1ccc(-n2ccnc2[C@H]2CCC[NH2+]C2)nc1-c1ccccc1 ZINC001167059374 1383530771 /nfs/dbraw/zinc/53/07/71/1383530771.db2.gz CNBDTUKMTOKIJR-HNNXBMFYSA-N 1 0 349.394 3.310 20 5 EGBDRO C[NH+](C)[C@H]1CCCC[C@@H]1Nc1nccc(Br)c1[N+](=O)[O-] ZINC001168601784 1383945694 /nfs/dbraw/zinc/94/56/94/1383945694.db2.gz VVFDOQJIVAKQIS-QWRGUYRKSA-N 1 0 343.225 3.037 20 5 EGBDRO COc1cccc(C(F)(F)F)c1C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168969903 1384073447 /nfs/dbraw/zinc/07/34/47/1384073447.db2.gz GJVIGYUAOSPFJF-GHMZBOCLSA-N 1 0 332.322 3.249 20 5 EGBDRO COc1ccc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1C(F)(F)F ZINC001168979780 1384077687 /nfs/dbraw/zinc/07/76/87/1384077687.db2.gz ZYKFKGOCHIUFDJ-NEPJUHHUSA-N 1 0 332.322 3.249 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2cn(Cc3ccc(Cl)cc3)cn2)C1 ZINC001168990067 1384080410 /nfs/dbraw/zinc/08/04/10/1384080410.db2.gz BESVZJWDVHNJTI-HOCLYGCPSA-N 1 0 348.834 3.120 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(OCC3CCOCC3)cc2)C1 ZINC001168998674 1384082866 /nfs/dbraw/zinc/08/28/66/1384082866.db2.gz PTEXGLVWFFYGFQ-QZTJIDSGSA-N 1 0 348.443 3.027 20 5 EGBDRO C[N@H+](Cc1cccc(Br)c1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169011673 1384088977 /nfs/dbraw/zinc/08/89/77/1384088977.db2.gz MBNAZZPNJFPXET-GXTWGEPZSA-N 1 0 327.222 3.326 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCc3c(Br)cccc3C2)C1 ZINC001169039009 1384098296 /nfs/dbraw/zinc/09/82/96/1384098296.db2.gz MIGKTJCULXVNMK-YPMHNXCESA-N 1 0 339.233 3.253 20 5 EGBDRO COc1ccccc1OCC1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169042153 1384098625 /nfs/dbraw/zinc/09/86/25/1384098625.db2.gz DEPWRQJJBBDIQD-IAGOWNOFSA-N 1 0 348.443 3.231 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@H](n2nc(C3CC[NH2+]CC3)c3ccccc32)C1 ZINC001169043652 1384099210 /nfs/dbraw/zinc/09/92/10/1384099210.db2.gz HHJNMIIOFGVDDS-ZFWWWQNUSA-N 1 0 328.416 3.121 20 5 EGBDRO CC1(C)C[C@@H](Nc2c(Cl)cncc2[N+](=O)[O-])C[C@](C)(C[NH3+])C1 ZINC001169143560 1384113373 /nfs/dbraw/zinc/11/33/73/1384113373.db2.gz KPHNTHJQVPOXKE-BMIGLBTASA-N 1 0 326.828 3.021 20 5 EGBDRO COc1ccc(C[C@H](C)NC(=[NH2+])c2ccc(F)c(F)c2)c([N+](=O)[O-])c1 ZINC001170295760 1384284499 /nfs/dbraw/zinc/28/44/99/1384284499.db2.gz DXPBAWXHAQULBZ-JTQLQIEISA-N 1 0 349.337 3.428 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+]C[C@](C)(O)c2ccccc2)c([N+](=O)[O-])c1 ZINC001170298115 1384284935 /nfs/dbraw/zinc/28/49/35/1384284935.db2.gz FPFBBYJDFDHMML-KUHUBIRLSA-N 1 0 344.411 3.032 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+][C@@H](C)CCCC(C)(C)O)c([N+](=O)[O-])c1 ZINC001170304920 1384287180 /nfs/dbraw/zinc/28/71/80/1384287180.db2.gz HXYLLSFVVIEDLB-KBPBESRZSA-N 1 0 338.448 3.454 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H](C)CN2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC001170306398 1384287349 /nfs/dbraw/zinc/28/73/49/1384287349.db2.gz UOILWNUKQGQDNJ-CVEARBPZSA-N 1 0 349.475 3.244 20 5 EGBDRO COc1ccc(C[C@H](C)n2ccc3cc(C[NH3+])cnc32)c([N+](=O)[O-])c1 ZINC001170309981 1384287503 /nfs/dbraw/zinc/28/75/03/1384287503.db2.gz UZYXLNZMYZFEKU-LBPRGKRZSA-N 1 0 340.383 3.216 20 5 EGBDRO COc1ccc(C[NH2+][C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])c(F)c1 ZINC001170317013 1384289288 /nfs/dbraw/zinc/28/92/88/1384289288.db2.gz BKWJYTREVHMWKU-GFCCVEGCSA-N 1 0 348.374 3.472 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+]C(C)(C)c2ccncc2)c([N+](=O)[O-])c1 ZINC001170317967 1384289773 /nfs/dbraw/zinc/28/97/73/1384289773.db2.gz NCMMEFXGYAQCSR-ZDUSSCGKSA-N 1 0 329.400 3.454 20 5 EGBDRO COc1ccc(C[C@H](C)[N@H+]2C[C@H]3[C@H](CC3(F)F)C2)c([N+](=O)[O-])c1 ZINC001170335927 1384294287 /nfs/dbraw/zinc/29/42/87/1384294287.db2.gz RFMSTJXFVLIXFR-SUHUHFCYSA-N 1 0 326.343 3.121 20 5 EGBDRO COc1ccc(C[C@H](C)[NH+]2CCC3(C[C@H]3CCO)CC2)c([N+](=O)[O-])c1 ZINC001170335963 1384294679 /nfs/dbraw/zinc/29/46/79/1384294679.db2.gz SESJWVANIGPGHV-GOEBONIOSA-N 1 0 348.443 3.019 20 5 EGBDRO COc1ccc(C[C@@H](C)[N@@H+]2CC[C@H](c3ccncc3)C2)c([N+](=O)[O-])c1 ZINC001170345391 1384295891 /nfs/dbraw/zinc/29/58/91/1384295891.db2.gz JSBPBNGHNOQFEM-PBHICJAKSA-N 1 0 341.411 3.419 20 5 EGBDRO COc1ccc(C[C@@H](C)[N@@H+]2CCC[C@H]2c2cnccn2)c([N+](=O)[O-])c1 ZINC001170348037 1384296873 /nfs/dbraw/zinc/29/68/73/1384296873.db2.gz VELSFQVLOHNWKY-DYVFJYSZSA-N 1 0 342.399 3.162 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH+]2CC(c3cccnc3)C2)c([N+](=O)[O-])c1 ZINC001170350807 1384298113 /nfs/dbraw/zinc/29/81/13/1384298113.db2.gz CHISRAYOJWZEKJ-CYBMUJFWSA-N 1 0 327.384 3.029 20 5 EGBDRO [NH3+]CCc1cc2ccccc2n1-c1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC001171302774 1384489899 /nfs/dbraw/zinc/48/98/99/1384489899.db2.gz UCVRAOXXFBQBOH-UHFFFAOYSA-N 1 0 336.395 3.314 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]CCCc1ccncc1)CC2 ZINC001172897847 1384873557 /nfs/dbraw/zinc/87/35/57/1384873557.db2.gz CHSUZFIZKSGYQL-SFHVURJKSA-N 1 0 325.412 3.460 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]C[C@H](O)c1ccc(F)cc1)CC2 ZINC001172896316 1384873935 /nfs/dbraw/zinc/87/39/35/1384873935.db2.gz OACRHHXFAPDCOP-HKUYNNGSSA-N 1 0 344.386 3.305 20 5 EGBDRO CCOC(=O)CC(C)(C)[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172896326 1384873979 /nfs/dbraw/zinc/87/39/79/1384873979.db2.gz OAZAAOKZOLZVPK-HNNXBMFYSA-N 1 0 334.416 3.164 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]CCCc1ccccn1)CC2 ZINC001172901160 1384874132 /nfs/dbraw/zinc/87/41/32/1384874132.db2.gz KGQTYMWKXHQDTH-GOSISDBHSA-N 1 0 325.412 3.460 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]C1(c3ccccc3)COC1)CC2 ZINC001172902104 1384874321 /nfs/dbraw/zinc/87/43/21/1384874321.db2.gz VFOHISXSARBQJK-GOSISDBHSA-N 1 0 338.407 3.358 20 5 EGBDRO CC(C)n1cnc(C[NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)c1 ZINC001172903481 1384874843 /nfs/dbraw/zinc/87/48/43/1384874843.db2.gz GPMMRHQABOJTDS-INIZCTEOSA-N 1 0 328.416 3.409 20 5 EGBDRO COC(=O)[C@H]1CC[C@@H]([NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172904756 1384875451 /nfs/dbraw/zinc/87/54/51/1384875451.db2.gz AGLFBVSDRUXWJH-BHYGNILZSA-N 1 0 346.427 3.164 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1CC[C@H]3CCCO[C@@H]3C1)CC2 ZINC001172905604 1384875505 /nfs/dbraw/zinc/87/55/05/1384875505.db2.gz SRFMRDDWQVUZLV-HHXXYDBFSA-N 1 0 330.428 3.343 20 5 EGBDRO CC(C)N(C)[C@@H]1CC[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172918364 1384878516 /nfs/dbraw/zinc/87/85/16/1384878516.db2.gz AWBIMKWQQDKRLI-IEBWSBKVSA-N 1 0 331.460 3.257 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH+]1CC3(C1)C[C@@H](F)CS3)CC2 ZINC001172919567 1384879300 /nfs/dbraw/zinc/87/93/00/1384879300.db2.gz GPQXUEFWXPCDCO-CABCVRRESA-N 1 0 336.432 3.372 20 5 EGBDRO C[C@H]1CC[N@@H+](C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C1 ZINC001173009614 1384897765 /nfs/dbraw/zinc/89/77/65/1384897765.db2.gz FTDKGNMGKFOTKZ-NSHDSACASA-N 1 0 325.359 3.184 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]Cc2nc(C)oc2C)c1F ZINC001173174950 1384930828 /nfs/dbraw/zinc/93/08/28/1384930828.db2.gz HGQKNDUXRSRPBL-VIFPVBQESA-N 1 0 337.351 3.068 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+]2C[C@H]3[C@H](CC3(F)F)C2)c1F ZINC001173183488 1384932463 /nfs/dbraw/zinc/93/24/63/1384932463.db2.gz ZABINCWMXAJWAL-FOGDFJRCSA-N 1 0 344.333 3.261 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CCc3cnccc3C2)c1F ZINC001173187114 1384933140 /nfs/dbraw/zinc/93/31/40/1384933140.db2.gz XDDQYXPVMJHKHP-LBPRGKRZSA-N 1 0 345.374 3.127 20 5 EGBDRO COCC[N@H+](C(C)C)[C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173189566 1384933538 /nfs/dbraw/zinc/93/35/38/1384933538.db2.gz KYKVYQLZDCBNIK-GFCCVEGCSA-N 1 0 328.384 3.030 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@H]2COc3ccccc32)c1F ZINC001173189015 1384933570 /nfs/dbraw/zinc/93/35/70/1384933570.db2.gz MXIGZYQGCFMXNC-RISCZKNCSA-N 1 0 346.358 3.397 20 5 EGBDRO COc1ccc(C[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)cc1OC ZINC001173216609 1384937660 /nfs/dbraw/zinc/93/76/60/1384937660.db2.gz MCZWOUMTDOCQCR-CYBMUJFWSA-N 1 0 330.384 3.333 20 5 EGBDRO COc1cccc2c1C[C@@H]([NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1)CO2 ZINC001173220117 1384938204 /nfs/dbraw/zinc/93/82/04/1384938204.db2.gz UDYXBRGWAZNMRN-UKRRQHHQSA-N 1 0 342.395 3.128 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](Oc2cccnc2)C1 ZINC001173227553 1384939712 /nfs/dbraw/zinc/93/97/12/1384939712.db2.gz QSQKAOOYBLRPLI-HNAYVOBHSA-N 1 0 341.411 3.464 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC[C@H]1COc2ccccc2O1 ZINC001173227473 1384940295 /nfs/dbraw/zinc/94/02/95/1384940295.db2.gz FZDUOKMOZROZRI-PBHICJAKSA-N 1 0 342.395 3.346 20 5 EGBDRO CC(C)[C@@H]1[NH2+]CCc2ncn([C@H](C)Cc3ccc([N+](=O)[O-])cc3)c21 ZINC001173231039 1384940501 /nfs/dbraw/zinc/94/05/01/1384940501.db2.gz JBEDAUBODIRYGJ-DYVFJYSZSA-N 1 0 328.416 3.438 20 5 EGBDRO Cc1ccnn1C1CC[NH+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173230740 1384940610 /nfs/dbraw/zinc/94/06/10/1384940610.db2.gz FEUSYPAFIPMQEC-HNNXBMFYSA-N 1 0 328.416 3.368 20 5 EGBDRO C[NH+]1CCN(Cc2ccccc2Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC001174478634 1385112785 /nfs/dbraw/zinc/11/27/85/1385112785.db2.gz RSHFNZQLZHFIAS-UHFFFAOYSA-N 1 0 326.400 3.086 20 5 EGBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC001319301218 1386049987 /nfs/dbraw/zinc/04/99/87/1386049987.db2.gz WTBVMDWNDUIVPI-KFWWJZLASA-N 1 0 331.416 3.434 20 5 EGBDRO CS[C@H]1CC[C@H]([N@H+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC001319714897 1386265584 /nfs/dbraw/zinc/26/55/84/1386265584.db2.gz FRAXLOLKSRACOO-STQMWFEESA-N 1 0 338.429 3.082 20 5 EGBDRO Cc1c(C(=O)N2CCCc3c([N+](=O)[O-])cccc32)ccc2c[nH+]cn21 ZINC001320890757 1386749354 /nfs/dbraw/zinc/74/93/54/1386749354.db2.gz YGSBQXYEMMRFBK-UHFFFAOYSA-N 1 0 336.351 3.144 20 5 EGBDRO C[C@@H](O)CC(=O)Nc1cc2oc3cc(=[NH2+])ccc-3nc2c2ccccc12 ZINC001181353190 1386980432 /nfs/dbraw/zinc/98/04/32/1386980432.db2.gz LXARDSJCSQWIKG-LLVKDONJSA-N 1 0 347.374 3.275 20 5 EGBDRO Cc1cncc([N+](=O)[O-])c1N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001322464594 1387191179 /nfs/dbraw/zinc/19/11/79/1387191179.db2.gz AOPVKIVUSPTGAV-QGZVFWFLSA-N 1 0 340.427 3.257 20 5 EGBDRO C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001336224904 1389040846 /nfs/dbraw/zinc/04/08/46/1389040846.db2.gz SNKUZUDCVRQMNL-SNVBAGLBSA-N 1 0 346.214 3.116 20 5 EGBDRO COC1CC[NH+](CCNc2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC1 ZINC001336692268 1389137244 /nfs/dbraw/zinc/13/72/44/1389137244.db2.gz JCHUCSKZDYJEHV-UHFFFAOYSA-N 1 0 347.337 3.136 20 5 EGBDRO C[NH+](C)[C@H]1CCC[C@@H]1Nc1ncnc2c(Cl)cc([N+](=O)[O-])cc12 ZINC001330041267 1389292511 /nfs/dbraw/zinc/29/25/11/1389292511.db2.gz HDSCXRCEWHJDHF-STQMWFEESA-N 1 0 335.795 3.086 20 5 EGBDRO C[C@H](Nc1ncnc2c(Cl)cc([N+](=O)[O-])cc12)C1=CC[N@H+](C)CC1 ZINC001330652955 1389484218 /nfs/dbraw/zinc/48/42/18/1389484218.db2.gz MQTSHQOMYGDBDE-JTQLQIEISA-N 1 0 347.806 3.254 20 5 EGBDRO C[NH+](C)CCN(C(=O)Nc1ccc(F)c([N+](=O)[O-])c1)C1CCCC1 ZINC001332420001 1390111357 /nfs/dbraw/zinc/11/13/57/1390111357.db2.gz GEDPFHKIIRPEGL-UHFFFAOYSA-N 1 0 338.383 3.072 20 5 EGBDRO C[C@@H]1C[C@H](Nc2ncnc3c(Cl)cc([N+](=O)[O-])cc23)C[N@@H+]1C1CC1 ZINC001333707885 1390379408 /nfs/dbraw/zinc/37/94/08/1390379408.db2.gz MUTGLUZGNSJOAA-ZJUUUORDSA-N 1 0 347.806 3.229 20 5 EGBDRO CCC[N@H+](C)C[C@@H]1CCN(c2ncc([N+](=O)[O-])c3ccccc32)C1 ZINC001333907355 1390435179 /nfs/dbraw/zinc/43/51/79/1390435179.db2.gz AYFJLNBPLWXTMJ-AWEZNQCLSA-N 1 0 328.416 3.311 20 5 EGBDRO CCOc1ccccc1CC[NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC001334168509 1390492193 /nfs/dbraw/zinc/49/21/93/1390492193.db2.gz OMLOVVKRQNSSCI-UHFFFAOYSA-N 1 0 346.383 3.040 20 5 EGBDRO Cc1cc(F)cc(C(=O)N2C[C@H](CC[NH3+])c3ccccc32)c1[N+](=O)[O-] ZINC001341524545 1390497865 /nfs/dbraw/zinc/49/78/65/1390497865.db2.gz FESAHMMBGVZSKT-LBPRGKRZSA-N 1 0 343.358 3.135 20 5 EGBDRO CCN(CC)Cc1csc(NC(=O)c2cccc([N+](=O)[O-])c2)n1 ZINC001334537749 1390554355 /nfs/dbraw/zinc/55/43/55/1390554355.db2.gz LZAAJIZRWRNPRV-UHFFFAOYSA-N 1 0 334.401 3.145 20 5 EGBDRO C[C@H](NC(=O)C[C@@H]1[NH2+]Cc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC001344790032 1390815168 /nfs/dbraw/zinc/81/51/68/1390815168.db2.gz SVGHPXYMEVDWHZ-SJCJKPOMSA-N 1 0 325.368 3.007 20 5 EGBDRO CCOC1CC(N(C)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC001346261594 1390918569 /nfs/dbraw/zinc/91/85/69/1390918569.db2.gz AOWNKGZGDFIGQG-UHFFFAOYSA-N 1 0 343.221 3.357 20 5 EGBDRO Cc1cc(Cl)c(C(=O)N2CCCC[C@@H]2C[NH+](C)C)cc1[N+](=O)[O-] ZINC001350584445 1391484350 /nfs/dbraw/zinc/48/43/50/1391484350.db2.gz UGIPECSAFUKJFS-GFCCVEGCSA-N 1 0 339.823 3.113 20 5 EGBDRO CC(C)c1noc(CC[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])n1 ZINC001351793346 1391690728 /nfs/dbraw/zinc/69/07/28/1391690728.db2.gz ACSNFAWORCGMRC-NSHDSACASA-N 1 0 336.367 3.004 20 5 EGBDRO CN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)CC1(C)CCCC1 ZINC001753185388 1440337329 /nfs/dbraw/zinc/33/73/29/1440337329.db2.gz IGQVMIREHRVYMK-UHFFFAOYSA-N 1 0 333.432 3.113 20 5 EGBDRO CCN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)c1cc(C)cs1 ZINC001754043471 1440534992 /nfs/dbraw/zinc/53/49/92/1440534992.db2.gz QBYCZFYIUVNTJS-UHFFFAOYSA-N 1 0 347.440 3.217 20 5 EGBDRO CC(C)(C)/C=C/C(=O)NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCC1 ZINC001754978541 1440720768 /nfs/dbraw/zinc/72/07/68/1440720768.db2.gz KCIQPSCIKCIVIN-DHZHZOJOSA-N 1 0 345.443 3.326 20 5 EGBDRO CC[NH+](CC)C1CCN(c2nc(Cl)cc(C)c2[N+](=O)[O-])CC1 ZINC001165054298 722001952 /nfs/dbraw/zinc/00/19/52/722001952.db2.gz WEFDFLZNEHPFHJ-UHFFFAOYSA-N 1 0 326.828 3.262 20 5 EGBDRO C[C@H](Nc1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000050163925 214048063 /nfs/dbraw/zinc/04/80/63/214048063.db2.gz JOTMVZPVODOONC-VHSXEESVSA-N 1 0 328.210 3.157 20 5 EGBDRO Cc1c(C(=O)N2CC[NH+](CC3CCCCC3)CC2)cccc1[N+](=O)[O-] ZINC000050009121 214039787 /nfs/dbraw/zinc/03/97/87/214039787.db2.gz OJMMPHPQBSYVDB-UHFFFAOYSA-N 1 0 345.443 3.241 20 5 EGBDRO CC[C@H]([NH2+]CC(=O)N1[C@H](C)CCC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000181550296 529587798 /nfs/dbraw/zinc/58/77/98/529587798.db2.gz SPEAWXQHTJTHIF-VBQJREDUSA-N 1 0 333.432 3.425 20 5 EGBDRO CCc1ccc(C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000174145463 529603926 /nfs/dbraw/zinc/60/39/26/529603926.db2.gz REMMDALSXXWKGN-AWEZNQCLSA-N 1 0 333.432 3.007 20 5 EGBDRO C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000174826272 530004488 /nfs/dbraw/zinc/00/44/88/530004488.db2.gz DIIITSYTNNMDNV-UHFFFAOYSA-N 1 0 349.431 3.426 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000371135150 168567395 /nfs/dbraw/zinc/56/73/95/168567395.db2.gz XVYXEZIRAFSPPX-OAHLLOKOSA-N 1 0 346.431 3.304 20 5 EGBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H](CCCO)c2ccccc2)cc1 ZINC000179727142 233375910 /nfs/dbraw/zinc/37/59/10/233375910.db2.gz FAUZLJBIGBWSDR-SFHVURJKSA-N 1 0 330.384 3.077 20 5 EGBDRO C[C@H](c1ccccc1)[C@H](C)[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000181526500 234217842 /nfs/dbraw/zinc/21/78/42/234217842.db2.gz SXAVMVCGYCEQJA-GJZGRUSLSA-N 1 0 341.411 3.339 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)N[C@H](C)c2cccs2)cc1[N+](=O)[O-] ZINC000181816410 234336117 /nfs/dbraw/zinc/33/61/17/234336117.db2.gz UFGDAWQHVFJFKM-CHWSQXEVSA-N 1 0 347.440 3.493 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCO[C@]3(CCSC3)C2)c(Cl)c1 ZINC000183916527 235261100 /nfs/dbraw/zinc/26/11/00/235261100.db2.gz KKICRLOIFNRJRD-IUODEOHRSA-N 1 0 342.848 3.393 20 5 EGBDRO COc1cc(C[N@@H+]2CCCC[C@@H](SC)C2)c([N+](=O)[O-])cc1F ZINC000184267381 235350782 /nfs/dbraw/zinc/35/07/82/235350782.db2.gz TWUNPDKWHXUIIB-GFCCVEGCSA-N 1 0 328.409 3.460 20 5 EGBDRO O=[N+]([O-])c1c2cccnc2ccc1N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000131691453 223258443 /nfs/dbraw/zinc/25/84/43/223258443.db2.gz IMJWLPDHPGDTAS-CQSZACIVSA-N 1 0 326.400 3.065 20 5 EGBDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000072809707 216309488 /nfs/dbraw/zinc/30/94/88/216309488.db2.gz TYQMQRNAVYXBBM-CVEARBPZSA-N 1 0 345.443 3.321 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCCOC[C@@H]1CCCO1)CCC2 ZINC000192620450 239806716 /nfs/dbraw/zinc/80/67/16/239806716.db2.gz VXTWIXAFLYPGKN-FUHWJXTLSA-N 1 0 334.416 3.148 20 5 EGBDRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1ccccc1[N+](=O)[O-] ZINC000032463584 284007186 /nfs/dbraw/zinc/00/71/86/284007186.db2.gz KFCKXWDQZYSNKS-UHFFFAOYSA-N 1 0 339.395 3.121 20 5 EGBDRO CCCO[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000247095260 243371701 /nfs/dbraw/zinc/37/17/01/243371701.db2.gz JIWBLUWDFNPOLC-PBHICJAKSA-N 1 0 349.431 3.203 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCO[C@@H]4CCC[C@@H]43)o2)c1 ZINC000265120829 247222209 /nfs/dbraw/zinc/22/22/09/247222209.db2.gz JXUSLBUHQPDDKL-JKSUJKDBSA-N 1 0 343.383 3.046 20 5 EGBDRO CCn1cnnc1[C@H]1CCC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000266549363 248355791 /nfs/dbraw/zinc/35/57/91/248355791.db2.gz SZVFQDZAALLISI-KGLIPLIRSA-N 1 0 329.404 3.147 20 5 EGBDRO COc1ccc(OCC[N@H+](C)[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000091703903 218051330 /nfs/dbraw/zinc/05/13/30/218051330.db2.gz WJIIVYFVVXYYDR-CYBMUJFWSA-N 1 0 331.372 3.070 20 5 EGBDRO COCCOc1ccccc1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000267460892 251078051 /nfs/dbraw/zinc/07/80/51/251078051.db2.gz VBWLIRCKNCHDLH-CQSZACIVSA-N 1 0 330.384 3.471 20 5 EGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000266269003 285085791 /nfs/dbraw/zinc/08/57/91/285085791.db2.gz QPWFTBMMMONWNI-LBPRGKRZSA-N 1 0 327.306 3.064 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@H]1CSCCS1)C1CC1 ZINC000165713579 285161132 /nfs/dbraw/zinc/16/11/32/285161132.db2.gz QYBLBHODKAMPAE-LSDHHAIUSA-N 1 0 338.498 3.354 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCC(OC3CCCC3)CC2)c1 ZINC000153835007 224165294 /nfs/dbraw/zinc/16/52/94/224165294.db2.gz XAZTYDUYXSGBTJ-GOSISDBHSA-N 1 0 334.416 3.052 20 5 EGBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2[C@@H]3CCO[C@@H]3C2(C)C)cc1[N+](=O)[O-] ZINC000153951551 224181359 /nfs/dbraw/zinc/18/13/59/224181359.db2.gz WJTAXYZHMRESAC-SCTFDZSOSA-N 1 0 334.416 3.458 20 5 EGBDRO Cc1ccc(NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c([N+](=O)[O-])c1 ZINC000268953788 255503092 /nfs/dbraw/zinc/50/30/92/255503092.db2.gz JBABCLGULVZUOU-SJLPKXTDSA-N 1 0 333.432 3.083 20 5 EGBDRO C[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000180864835 533220246 /nfs/dbraw/zinc/22/02/46/533220246.db2.gz NPQJHEYOSCXIBE-ZIAGYGMSSA-N 1 0 346.431 3.369 20 5 EGBDRO CCCN(CC[NH+](C)C)C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000123837268 140905908 /nfs/dbraw/zinc/90/59/08/140905908.db2.gz XQAANOOJAJEOMK-UHFFFAOYSA-N 1 0 335.448 3.306 20 5 EGBDRO Cc1ccc([C@H](C)NC(=O)C[C@H](C)[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000237503058 141004795 /nfs/dbraw/zinc/00/47/95/141004795.db2.gz KPJYRASVVROGFW-OFQRWUPVSA-N 1 0 333.432 3.106 20 5 EGBDRO O=[N+]([O-])c1ccc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(F)c1 ZINC000269703138 141060138 /nfs/dbraw/zinc/06/01/38/141060138.db2.gz YZQHMXINYVPCGE-KBXCAEBGSA-N 1 0 333.407 3.183 20 5 EGBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000350475482 141247727 /nfs/dbraw/zinc/24/77/27/141247727.db2.gz IMUWSMSOIJCKLZ-RHSMWYFYSA-N 1 0 339.395 3.160 20 5 EGBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2CCC[C@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000172467565 144022125 /nfs/dbraw/zinc/02/21/25/144022125.db2.gz ZLQIERCXACOGDH-SFDCQRBFSA-N 1 0 349.431 3.345 20 5 EGBDRO C[C@H]([NH2+][C@@H]1C[C@H](C)N(c2ccccc2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000173449738 144042188 /nfs/dbraw/zinc/04/21/88/144042188.db2.gz QPKGAUGWPZRJRA-SUNYJGFJSA-N 1 0 339.395 3.439 20 5 EGBDRO C[C@@H]1C[C@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC[N@@H+]1C ZINC000344633078 144202193 /nfs/dbraw/zinc/20/21/93/144202193.db2.gz QSBVAVYWRILRAS-UKRRQHHQSA-N 1 0 329.400 3.427 20 5 EGBDRO C[C@H]1C[C@@H](NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC[N@@H+]1C ZINC000344691235 144210361 /nfs/dbraw/zinc/21/03/61/144210361.db2.gz YFUCSSHKSGZAQT-ZFWWWQNUSA-N 1 0 329.400 3.427 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCCOC[C@@H]1CCCO1 ZINC000344789429 144225104 /nfs/dbraw/zinc/22/51/04/144225104.db2.gz HOKNEVMQTPXUGQ-RXBGNRNISA-N 1 0 334.416 3.173 20 5 EGBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)C[C@@H]21 ZINC000369913174 144456279 /nfs/dbraw/zinc/45/62/79/144456279.db2.gz QGXHRYSMZZNERX-DDTOSNHZSA-N 1 0 345.424 3.009 20 5 EGBDRO CC[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000117343101 152094198 /nfs/dbraw/zinc/09/41/98/152094198.db2.gz BZTHIMUYIPGUCF-CQSZACIVSA-N 1 0 349.431 3.444 20 5 EGBDRO Cc1cc([N+](=O)[O-])cnc1N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000310285045 154141593 /nfs/dbraw/zinc/14/15/93/154141593.db2.gz LZCIYLVQUPLRLO-RHSMWYFYSA-N 1 0 326.400 3.373 20 5 EGBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000310423409 154142461 /nfs/dbraw/zinc/14/24/61/154142461.db2.gz LKLJDIQPQRJWHN-ZDUSSCGKSA-N 1 0 331.420 3.052 20 5 EGBDRO Cc1cc(N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)ncc1[N+](=O)[O-] ZINC000336696970 154210465 /nfs/dbraw/zinc/21/04/65/154210465.db2.gz JDSAJIGENOGJKT-GOEBONIOSA-N 1 0 326.400 3.373 20 5 EGBDRO CCC[C@@H]([NH2+]C1CCN(C(=O)C2CC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000336893989 154233259 /nfs/dbraw/zinc/23/32/59/154233259.db2.gz VMORMTKDDYVIDC-GOSISDBHSA-N 1 0 345.443 3.427 20 5 EGBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NCCC[N@H+](C)C1CCCCC1 ZINC000339879438 155015314 /nfs/dbraw/zinc/01/53/14/155015314.db2.gz FPTBGSVFMHIGRQ-UHFFFAOYSA-N 1 0 348.447 3.021 20 5 EGBDRO [NH3+]CCN(Cc1ccc(F)c2cccnc12)c1ccccc1[N+](=O)[O-] ZINC000348922468 156289806 /nfs/dbraw/zinc/28/98/06/156289806.db2.gz QOHWJNJKEOPCIO-UHFFFAOYSA-N 1 0 340.358 3.247 20 5 EGBDRO C[C@H]1C[C@@H]1c1ccc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)o1 ZINC000093534468 162015894 /nfs/dbraw/zinc/01/58/94/162015894.db2.gz FFQLMUCBRQIKBC-XEZPLFJOSA-N 1 0 342.399 3.393 20 5 EGBDRO COc1cc(C[N@H+](C)CCc2cccs2)c([N+](=O)[O-])cc1OC ZINC000093685457 162022144 /nfs/dbraw/zinc/02/21/44/162022144.db2.gz MUOIYXWUVZHMJF-UHFFFAOYSA-N 1 0 336.413 3.348 20 5 EGBDRO CC(C)[N@H+](C)CCNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000113332778 162209062 /nfs/dbraw/zinc/20/90/62/162209062.db2.gz NRKSXJROZIMHOU-UHFFFAOYSA-N 1 0 334.445 3.148 20 5 EGBDRO C[C@@H]([NH2+][C@@H]1CCN(c2ncccc2F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000126253183 162297867 /nfs/dbraw/zinc/29/78/67/162297867.db2.gz ZUFXGPGIZSAMOU-TZMCWYRMSA-N 1 0 330.363 3.058 20 5 EGBDRO COc1cccc([C@@H](CNc2nc(C)ccc2[N+](=O)[O-])[NH+](C)C)c1 ZINC000128902815 162339815 /nfs/dbraw/zinc/33/98/15/162339815.db2.gz MMLNASRTZKZGND-MRXNPFEDSA-N 1 0 330.388 3.022 20 5 EGBDRO C[C@H](c1ccccc1F)[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000338345735 163218515 /nfs/dbraw/zinc/21/85/15/163218515.db2.gz QVUWBOZKUBFRDI-UKRRQHHQSA-N 1 0 348.374 3.167 20 5 EGBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000340500253 163592240 /nfs/dbraw/zinc/59/22/40/163592240.db2.gz QBHXTZYAQONJPX-YRGRVCCFSA-N 1 0 337.445 3.134 20 5 EGBDRO C[C@@H]([NH2+]C1CCN(Cc2ccccn2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000343916533 164064842 /nfs/dbraw/zinc/06/48/42/164064842.db2.gz QZULRELGXLUDBB-OAHLLOKOSA-N 1 0 340.427 3.305 20 5 EGBDRO C[C@H]([NH2+]C1CCN(Cc2ccccn2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000343916532 164064913 /nfs/dbraw/zinc/06/49/13/164064913.db2.gz QZULRELGXLUDBB-HNNXBMFYSA-N 1 0 340.427 3.305 20 5 EGBDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344186233 164122531 /nfs/dbraw/zinc/12/25/31/164122531.db2.gz DFNXYYOUVCJEHA-ZDUSSCGKSA-N 1 0 337.395 3.118 20 5 EGBDRO CC[C@]1(C)CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000344232796 164132450 /nfs/dbraw/zinc/13/24/50/164132450.db2.gz HUGCIOOFYYRDKM-QGZVFWFLSA-N 1 0 335.404 3.054 20 5 EGBDRO COc1ccc(-c2ccc(C[NH2+]CC(C)(C)CCO)o2)c([N+](=O)[O-])c1 ZINC000344575788 164190947 /nfs/dbraw/zinc/19/09/47/164190947.db2.gz GCIPVMOLWBUNSD-UHFFFAOYSA-N 1 0 348.399 3.362 20 5 EGBDRO C[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1F)[N@@H+]1CCCC[C@H]1C ZINC000351653871 165117911 /nfs/dbraw/zinc/11/79/11/165117911.db2.gz DAZPLHGLTGJEOX-NEPJUHHUSA-N 1 0 338.383 3.118 20 5 EGBDRO CNC(=O)CC[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000353167130 165659253 /nfs/dbraw/zinc/65/92/53/165659253.db2.gz LIXGFFSZVIDZIL-CQSZACIVSA-N 1 0 339.823 3.129 20 5 EGBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)C[C@H]1C ZINC000355256045 166148369 /nfs/dbraw/zinc/14/83/69/166148369.db2.gz QJRTZCZJCAVPEZ-KGLIPLIRSA-N 1 0 333.432 3.075 20 5 EGBDRO CC(C)C[NH+]1CCN(Cc2cc([N+](=O)[O-])ccc2OC(C)C)CC1 ZINC000355259396 166149439 /nfs/dbraw/zinc/14/94/39/166149439.db2.gz GALSRWFQVJCFDJ-UHFFFAOYSA-N 1 0 335.448 3.156 20 5 EGBDRO COc1cc(N(C)CC[NH+](C(C)C)C(C)C)c(F)cc1[N+](=O)[O-] ZINC000355575642 166248979 /nfs/dbraw/zinc/24/89/79/166248979.db2.gz NTCASVADXAMSPV-UHFFFAOYSA-N 1 0 327.400 3.298 20 5 EGBDRO COC[C@@H](Cc1ccccc1)[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC ZINC000355781709 166307798 /nfs/dbraw/zinc/30/77/98/166307798.db2.gz KRLASNZQXMDNGZ-GOSISDBHSA-N 1 0 344.411 3.293 20 5 EGBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000360339939 167306731 /nfs/dbraw/zinc/30/67/31/167306731.db2.gz WJEUQBDIUYWNTJ-HZPDHXFCSA-N 1 0 328.416 3.219 20 5 EGBDRO CCOc1cc(C[N@@H+]2CC[C@H](C3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000365191156 168033100 /nfs/dbraw/zinc/03/31/00/168033100.db2.gz QVSKRGAAKZBEQJ-INIZCTEOSA-N 1 0 334.416 3.242 20 5 EGBDRO CCOc1cc(C[NH+]2CCC(n3cccn3)CC2)ccc1[N+](=O)[O-] ZINC000365191657 168033217 /nfs/dbraw/zinc/03/32/17/168033217.db2.gz SUKXLZJFHDKRKU-UHFFFAOYSA-N 1 0 330.388 3.027 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCN(c3ccccc3F)C2)cc1 ZINC000366018913 168072289 /nfs/dbraw/zinc/07/22/89/168072289.db2.gz WPDOSXFAFOEHQR-OAHLLOKOSA-N 1 0 329.375 3.350 20 5 EGBDRO C[C@@](O)(C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccsc1 ZINC000159889945 225296733 /nfs/dbraw/zinc/29/67/33/225296733.db2.gz YHGOSRBDRNFDTE-FUHWJXTLSA-N 1 0 346.452 3.475 20 5 EGBDRO C[C@](O)(C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccccc1 ZINC000169130120 226233021 /nfs/dbraw/zinc/23/30/21/226233021.db2.gz WAIJULKKDGGZSG-QUCCMNQESA-N 1 0 340.423 3.413 20 5 EGBDRO C[N@@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)C[C@H]1CCCOC1 ZINC000123016527 222201179 /nfs/dbraw/zinc/20/11/79/222201179.db2.gz PXGRKDGRJVPKNH-GFCCVEGCSA-N 1 0 343.221 3.216 20 5 EGBDRO CC1(C)CC(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])CC(C)(C)[NH2+]1 ZINC000124278455 222402276 /nfs/dbraw/zinc/40/22/76/222402276.db2.gz MTYIWMSEUYDOEJ-UHFFFAOYSA-N 1 0 339.823 3.287 20 5 EGBDRO CC[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176220544 265162561 /nfs/dbraw/zinc/16/25/61/265162561.db2.gz VWXKGRONBFZRFI-DLBZAZTESA-N 1 0 328.416 3.450 20 5 EGBDRO CC(C)[NH+]1CCC(C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000178908230 265350246 /nfs/dbraw/zinc/35/02/46/265350246.db2.gz QLFHYKBZMIVTIC-UHFFFAOYSA-N 1 0 345.443 3.206 20 5 EGBDRO Cc1cc(C(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000195694597 266190272 /nfs/dbraw/zinc/19/02/72/266190272.db2.gz QXKKHWFXOIGOPU-HUUCEWRRSA-N 1 0 347.459 3.390 20 5 EGBDRO CC(C)OCC[NH+]1CCC(Nc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000269647608 266333106 /nfs/dbraw/zinc/33/31/06/266333106.db2.gz PTGDCAPUIWZRPR-UHFFFAOYSA-N 1 0 343.374 3.174 20 5 EGBDRO C[C@@H]1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H](c2ccsc2)O1 ZINC000269649118 266333571 /nfs/dbraw/zinc/33/35/71/266333571.db2.gz LRLJOHVRWVQKMI-JLZZUVOBSA-N 1 0 348.424 3.152 20 5 EGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@]1(O)CCc2ccccc21 ZINC000269760846 266354873 /nfs/dbraw/zinc/35/48/73/266354873.db2.gz AZMZBMMINCPYEA-QGZVFWFLSA-N 1 0 332.787 3.172 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@H]3CC[C@H](O)CC3)cs2)c1 ZINC000269871927 266373538 /nfs/dbraw/zinc/37/35/38/266373538.db2.gz NJIQPVSXAJWVRV-NNUKFRKNSA-N 1 0 333.413 3.111 20 5 EGBDRO C[C@@H](NC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000273522482 267053289 /nfs/dbraw/zinc/05/32/89/267053289.db2.gz YWTWCSWYRVERLD-KGLIPLIRSA-N 1 0 348.447 3.028 20 5 EGBDRO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)[C@@]12CCCO2 ZINC000274242983 267203876 /nfs/dbraw/zinc/20/38/76/267203876.db2.gz RAADKQMQBDHJFV-RUGDWHBFSA-N 1 0 334.416 3.280 20 5 EGBDRO C[NH+](C)CCc1ccc(CNc2nc3sccn3c2[N+](=O)[O-])cc1 ZINC000276319773 267519639 /nfs/dbraw/zinc/51/96/39/267519639.db2.gz OLBRTWMMKKRXEU-UHFFFAOYSA-N 1 0 345.428 3.020 20 5 EGBDRO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000089513346 274473411 /nfs/dbraw/zinc/47/34/11/274473411.db2.gz BLYJBJNXACMNLR-LLVKDONJSA-N 1 0 348.790 3.150 20 5 EGBDRO C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2Br)CC[N@@H+]1C ZINC000090795071 275153567 /nfs/dbraw/zinc/15/35/67/275153567.db2.gz LMFPUPIBWRLKLS-VHSXEESVSA-N 1 0 328.210 3.252 20 5 EGBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000184824881 275214057 /nfs/dbraw/zinc/21/40/57/275214057.db2.gz OTWXXPCMMRHJSZ-HOCLYGCPSA-N 1 0 349.475 3.256 20 5 EGBDRO CC[C@@H]([NH2+]CCCN1CCCO[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000278724641 275268874 /nfs/dbraw/zinc/26/88/74/275268874.db2.gz WCDMBXZNXWSENM-CRAIPNDOSA-N 1 0 335.448 3.136 20 5 EGBDRO C[S@](=O)C1(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCC1 ZINC000280517689 275460039 /nfs/dbraw/zinc/46/00/39/275460039.db2.gz ATZZJLCRPSZSRF-DEOSSOPVSA-N 1 0 348.424 3.246 20 5 EGBDRO C[C@@H]([NH2+]C[C@@H](c1ccccc1)N(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283690493 275744880 /nfs/dbraw/zinc/74/48/80/275744880.db2.gz AEWAHQZWPBJEEY-ACJLOTCBSA-N 1 0 328.416 3.131 20 5 EGBDRO C[C@@H]([NH2+]C[C@@H](c1cccs1)N(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283867179 275757465 /nfs/dbraw/zinc/75/74/65/275757465.db2.gz BTKOYOGDVVWAAR-ABAIWWIYSA-N 1 0 334.445 3.192 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N(C)CCC[N@H+](C)Cc1ccco1 ZINC000286705182 276035041 /nfs/dbraw/zinc/03/50/41/276035041.db2.gz QCVMXIIVNMKWLL-UHFFFAOYSA-N 1 0 345.399 3.090 20 5 EGBDRO CC[NH+](CC)[C@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000354183700 276115232 /nfs/dbraw/zinc/11/52/32/276115232.db2.gz FGXPNGDYUASWPR-SFHVURJKSA-N 1 0 341.411 3.294 20 5 EGBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)c1 ZINC000288352449 276205217 /nfs/dbraw/zinc/20/52/17/276205217.db2.gz KIKFKHFQHUJYFF-STQMWFEESA-N 1 0 349.456 3.016 20 5 EGBDRO COc1ccc(C[N@H+](CCn2cc([N+](=O)[O-])cn2)C(C)(C)C)cc1 ZINC000288727885 276245862 /nfs/dbraw/zinc/24/58/62/276245862.db2.gz GKSQYVSPDDVNKV-UHFFFAOYSA-N 1 0 332.404 3.101 20 5 EGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1ncccc1N(C)C ZINC000289618958 276367167 /nfs/dbraw/zinc/36/71/67/276367167.db2.gz DMBIOCBMUNTKNM-CQSZACIVSA-N 1 0 328.416 3.167 20 5 EGBDRO CCC[N@@H+]1CC[C@H](CNC(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000289623507 276368059 /nfs/dbraw/zinc/36/80/59/276368059.db2.gz JZGIWOVPVGFGMZ-LLVKDONJSA-N 1 0 340.811 3.102 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@@H](CO)C3CCCC3)cs2)c1 ZINC000289746603 276387386 /nfs/dbraw/zinc/38/73/86/276387386.db2.gz WEVLBKIWWLARDI-INIZCTEOSA-N 1 0 347.440 3.359 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H]1CCN(c2ccccc2F)C1 ZINC000291098090 276588836 /nfs/dbraw/zinc/58/88/36/276588836.db2.gz ZDRCPDJZABYKDM-AWEZNQCLSA-N 1 0 329.375 3.350 20 5 EGBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(C(=O)N(C)C)cc1 ZINC000292000041 276719032 /nfs/dbraw/zinc/71/90/32/276719032.db2.gz ARAUVMPALNASSG-AWEZNQCLSA-N 1 0 341.411 3.190 20 5 EGBDRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000359326233 278255311 /nfs/dbraw/zinc/25/53/11/278255311.db2.gz DOOWQYCJRZJGOX-LBPRGKRZSA-N 1 0 338.383 3.120 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000376397349 280397799 /nfs/dbraw/zinc/39/77/99/280397799.db2.gz RESBUESZTWFZMW-GDBMZVCRSA-N 1 0 345.443 3.219 20 5 EGBDRO Cc1cccc(O[C@@H]2CCCC[C@@H]2[NH2+]Cc2c([N+](=O)[O-])ncn2C)c1 ZINC000362020167 302007680 /nfs/dbraw/zinc/00/76/80/302007680.db2.gz WSYHIKKBSVJFEO-DOTOQJQBSA-N 1 0 344.415 3.117 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+][C@H]1CCO[C@H](C2CC2)C1)C1CC1 ZINC000157900032 304807474 /nfs/dbraw/zinc/80/74/74/304807474.db2.gz UYGDMYREHPIRJK-SCTDSRPQSA-N 1 0 330.428 3.463 20 5 EGBDRO CC(C)(C)OC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000063626730 307355205 /nfs/dbraw/zinc/35/52/05/307355205.db2.gz WGGVSXZPVGZBLR-CQSZACIVSA-N 1 0 349.431 3.332 20 5 EGBDRO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000072037889 307378846 /nfs/dbraw/zinc/37/88/46/307378846.db2.gz WGGVSXZPVGZBLR-AWEZNQCLSA-N 1 0 349.431 3.332 20 5 EGBDRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1ccc([N+](=O)[O-])s1 ZINC000073555587 307386669 /nfs/dbraw/zinc/38/66/69/307386669.db2.gz HPOFIYWXOOBVJQ-UHFFFAOYSA-N 1 0 345.424 3.182 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000120216294 307504465 /nfs/dbraw/zinc/50/44/65/307504465.db2.gz XHEASJFZNMBHNG-ZDUSSCGKSA-N 1 0 336.436 3.309 20 5 EGBDRO CCn1ccc(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])n1 ZINC000414209240 309066827 /nfs/dbraw/zinc/06/68/27/309066827.db2.gz MWVGMHRKGHQFJI-YOEHRIQHSA-N 1 0 328.416 3.312 20 5 EGBDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000157987923 307853434 /nfs/dbraw/zinc/85/34/34/307853434.db2.gz VGTLRXZWUXYVQQ-ZIAGYGMSSA-N 1 0 328.416 3.473 20 5 EGBDRO CCCC[NH+]1CCC(NC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000158543099 307860350 /nfs/dbraw/zinc/86/03/50/307860350.db2.gz CNNPURWUIBBSEV-UHFFFAOYSA-N 1 0 334.420 3.289 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]Cc1nnc(C2CC2)s1)C1CC1 ZINC000414322234 309072743 /nfs/dbraw/zinc/07/27/43/309072743.db2.gz GLKNQPYAHWOJCL-CQSZACIVSA-N 1 0 344.440 3.435 20 5 EGBDRO C[N@@H+]1CCC[C@@]2(CCN(c3nc4ccccc4cc3[N+](=O)[O-])C2)C1 ZINC000292881444 308076081 /nfs/dbraw/zinc/07/60/81/308076081.db2.gz UVHTZAOKHACVMU-GOSISDBHSA-N 1 0 326.400 3.065 20 5 EGBDRO CCNC(=O)[C@@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C(C)C ZINC000292946649 308082896 /nfs/dbraw/zinc/08/28/96/308082896.db2.gz KDSLSMFPULEYJZ-KRWDZBQOSA-N 1 0 345.399 3.105 20 5 EGBDRO CC(C)(CO)[C@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])c1cccnc1 ZINC000293565578 308142202 /nfs/dbraw/zinc/14/22/02/308142202.db2.gz GKSSYPWJZNPDQL-JHTBKMLMSA-N 1 0 341.411 3.352 20 5 EGBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)[C@H](O)c1ccc(F)cc1 ZINC000293611496 308146262 /nfs/dbraw/zinc/14/62/62/308146262.db2.gz GOQOVWHYMXTBPW-RVPKQNPDSA-N 1 0 333.363 3.089 20 5 EGBDRO O=C(NCCCCC[NH+]1CCCC1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000293825181 308165424 /nfs/dbraw/zinc/16/54/24/308165424.db2.gz DDQMMMZJGFPMIY-UHFFFAOYSA-N 1 0 344.415 3.072 20 5 EGBDRO C[C@@H]([NH2+]C[C@@H](c1ccsc1)N(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293829027 308165984 /nfs/dbraw/zinc/16/59/84/308165984.db2.gz SHYYQYIPIVNFHW-BZNIZROVSA-N 1 0 334.445 3.192 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCC[C@H](CO)CC3)o2)cc1 ZINC000294044358 308185595 /nfs/dbraw/zinc/18/55/95/308185595.db2.gz PDAOPFLXIQVVEO-AWEZNQCLSA-N 1 0 330.384 3.449 20 5 EGBDRO COc1cc(C[NH2+]CCCc2ncccc2C)c([N+](=O)[O-])cc1OC ZINC000295022221 308282378 /nfs/dbraw/zinc/28/23/78/308282378.db2.gz NGZFFFOONKFLST-UHFFFAOYSA-N 1 0 345.399 3.038 20 5 EGBDRO Cc1ccccc1[C@H]([NH3+])C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000295189081 308300711 /nfs/dbraw/zinc/30/07/11/308300711.db2.gz NUHITMLRZOMFKX-DYVFJYSZSA-N 1 0 327.384 3.089 20 5 EGBDRO C[C@H]([NH2+][C@@H]1CCc2ccccc2NC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000298414335 308612394 /nfs/dbraw/zinc/61/23/94/308612394.db2.gz PGOZSHWSYNZFKM-YVEFUNNKSA-N 1 0 325.368 3.199 20 5 EGBDRO [NH3+]C[C@@H]1CCCC[C@H]1NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000414811428 309102969 /nfs/dbraw/zinc/10/29/69/309102969.db2.gz WGKRJOMZQSBBGA-XJKSGUPXSA-N 1 0 346.456 3.325 20 5 EGBDRO C[NH2+]C[C@@H](C)CNCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000414831687 309104475 /nfs/dbraw/zinc/10/44/75/309104475.db2.gz DKQAPSJEYNRHFC-LLVKDONJSA-N 1 0 337.807 3.453 20 5 EGBDRO O=[N+]([O-])c1ccc2nc(N3CCC[C@H]([NH+]4CCCC4)C3)ccc2c1 ZINC000301295403 308695321 /nfs/dbraw/zinc/69/53/21/308695321.db2.gz YDJOCPQJCGGZCT-INIZCTEOSA-N 1 0 326.400 3.208 20 5 EGBDRO O=[N+]([O-])c1ccsc1NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000301974760 308723773 /nfs/dbraw/zinc/72/37/73/308723773.db2.gz BADYODUGLJODOA-UHFFFAOYSA-N 1 0 346.456 3.281 20 5 EGBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(c2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413186439 309020377 /nfs/dbraw/zinc/02/03/77/309020377.db2.gz SPZBANKJZUHKNX-HNNXBMFYSA-N 1 0 340.427 3.311 20 5 EGBDRO O=[N+]([O-])c1ccc(CN[C@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000414955732 309111356 /nfs/dbraw/zinc/11/13/56/309111356.db2.gz UKZDOXVZWBTQNE-QAPCUYQASA-N 1 0 347.365 3.108 20 5 EGBDRO O=[N+]([O-])c1ccccc1CNC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000415005019 309113753 /nfs/dbraw/zinc/11/37/53/309113753.db2.gz OOHIFLFWNPNZEJ-FUHWJXTLSA-N 1 0 343.402 3.217 20 5 EGBDRO [NH3+]CC[C@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(F)(F)F ZINC000415057307 309117286 /nfs/dbraw/zinc/11/72/86/309117286.db2.gz PUJXIKIBCNQPIQ-AWEZNQCLSA-N 1 0 343.305 3.224 20 5 EGBDRO Cc1cc(NC(=O)N(CCC[NH3+])CC2CCCC2)ccc1[N+](=O)[O-] ZINC000415420105 309133283 /nfs/dbraw/zinc/13/32/83/309133283.db2.gz RXZVULJUOBWLFA-UHFFFAOYSA-N 1 0 334.420 3.276 20 5 EGBDRO COc1c(C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)c(C)nn1C ZINC000417344817 309202488 /nfs/dbraw/zinc/20/24/88/309202488.db2.gz QSTQMMVEDJFLTC-QGZVFWFLSA-N 1 0 344.415 3.203 20 5 EGBDRO COc1cc(C[NH2+]C[C@H]2CC23CC3)c([N+](=O)[O-])cc1OCC(F)F ZINC000418094228 309235277 /nfs/dbraw/zinc/23/52/77/309235277.db2.gz JVPIUUDELQKBSS-LLVKDONJSA-N 1 0 342.342 3.137 20 5 EGBDRO C[C@H](CCCC[NH3+])NC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000418714882 309254460 /nfs/dbraw/zinc/25/44/60/309254460.db2.gz XZALXWVLQODIMC-ZBFHGGJFSA-N 1 0 348.447 3.001 20 5 EGBDRO C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1CCC[C@@H]1C(C)(C)C ZINC000419337989 309264840 /nfs/dbraw/zinc/26/48/40/309264840.db2.gz RPQUIVTTWUBUGI-GJZGRUSLSA-N 1 0 333.432 3.340 20 5 EGBDRO [NH3+][C@@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1c1cccc(F)c1 ZINC000420395925 309286398 /nfs/dbraw/zinc/28/63/98/309286398.db2.gz UVVBINUHFTYDRG-JKSUJKDBSA-N 1 0 349.793 3.314 20 5 EGBDRO C[NH+](C)C1CCC(Nc2ncc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000420633497 309291102 /nfs/dbraw/zinc/29/11/02/309291102.db2.gz YPGSLOQFCKINCO-UHFFFAOYSA-N 1 0 332.326 3.293 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000421436817 309324615 /nfs/dbraw/zinc/32/46/15/309324615.db2.gz XEPKTQMDFUWKSQ-HUUCEWRRSA-N 1 0 333.432 3.204 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(CC[NH+](C)C)c1ccccc1 ZINC000421448185 309324978 /nfs/dbraw/zinc/32/49/78/309324978.db2.gz FNEHHMZJLHSCGB-UHFFFAOYSA-N 1 0 341.411 3.420 20 5 EGBDRO CCc1ccc([C@@H](NC[C@H]2CCC[NH2+]C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000423205658 309390277 /nfs/dbraw/zinc/39/02/77/309390277.db2.gz FJTOKYXYEWRXOO-LIRRHRJNSA-N 1 0 343.427 3.429 20 5 EGBDRO CCc1ccc([C@@H](NCC2([NH3+])CCC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000423336742 309395898 /nfs/dbraw/zinc/39/58/98/309395898.db2.gz VADJFFNVTBYHQP-KRWDZBQOSA-N 1 0 329.400 3.311 20 5 EGBDRO CC(C)(C(=O)NCC1([NH3+])CCCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000428135088 309542897 /nfs/dbraw/zinc/54/28/97/309542897.db2.gz OJMHSRUXJOSSKZ-UHFFFAOYSA-N 1 0 333.432 3.040 20 5 EGBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCCNc2ccccc2)n1 ZINC000447537218 309981333 /nfs/dbraw/zinc/98/13/33/309981333.db2.gz UBVVXUQOLSLLNC-SJORKVTESA-N 1 0 343.431 3.367 20 5 EGBDRO Cc1ccsc1CC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447572226 309982719 /nfs/dbraw/zinc/98/27/19/309982719.db2.gz AJFHCZXFUFKUID-KBPBESRZSA-N 1 0 334.445 3.477 20 5 EGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@H]2C[C@H]2Cc2ccccc2)n1 ZINC000447581910 309983163 /nfs/dbraw/zinc/98/31/63/309983163.db2.gz XBJRPTGVHBWCTF-VSZNYVQBSA-N 1 0 340.427 3.496 20 5 EGBDRO Cc1ccc(NC(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)cc1[N+](=O)[O-] ZINC000448375288 310003426 /nfs/dbraw/zinc/00/34/26/310003426.db2.gz MOSQJVFELHBWLS-OAHLLOKOSA-N 1 0 348.447 3.393 20 5 EGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCc2[nH]c(=O)ccc21 ZINC000449068764 310034387 /nfs/dbraw/zinc/03/43/87/310034387.db2.gz CMKJVAGTNAJXHW-SWLSCSKDSA-N 1 0 327.384 3.294 20 5 EGBDRO COCCOc1cccc(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000449091981 310036334 /nfs/dbraw/zinc/03/63/34/310036334.db2.gz SFXFTOGUDDASPG-HNNXBMFYSA-N 1 0 344.411 3.341 20 5 EGBDRO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449175940 310042321 /nfs/dbraw/zinc/04/23/21/310042321.db2.gz PKQJEWQFFNQYMU-CHWSQXEVSA-N 1 0 330.432 3.097 20 5 EGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1nnc(C(C)(C)C)s1 ZINC000449192636 310043513 /nfs/dbraw/zinc/04/35/13/310043513.db2.gz RJLCVHAWIZHQIG-LLVKDONJSA-N 1 0 334.445 3.465 20 5 EGBDRO CC(C)n1cc2c(n1)C[C@@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])CC2 ZINC000449195720 310043733 /nfs/dbraw/zinc/04/37/33/310043733.db2.gz VMKSSLKBRRCOMX-YOEHRIQHSA-N 1 0 342.443 3.450 20 5 EGBDRO Cc1cccc(C[C@@H](CO)[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000449267950 310048881 /nfs/dbraw/zinc/04/88/81/310048881.db2.gz CMIOVINMGQEVJG-QAPCUYQASA-N 1 0 328.412 3.027 20 5 EGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@]1(CO)C[C@H]1c1ccccc1 ZINC000449338778 310054718 /nfs/dbraw/zinc/05/47/18/310054718.db2.gz SPJJZRIFWVTSMH-MOXGXCLJSA-N 1 0 340.423 3.282 20 5 EGBDRO Cc1csc(C[NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000449481112 310065654 /nfs/dbraw/zinc/06/56/54/310065654.db2.gz QYMPNDMMATWSRT-GFCCVEGCSA-N 1 0 333.413 3.472 20 5 EGBDRO COc1cc(C[NH2+]CCc2cc(C)ccc2F)c([N+](=O)[O-])cc1O ZINC000449556917 310071698 /nfs/dbraw/zinc/07/16/98/310071698.db2.gz UQCBPUSSYYAHQX-UHFFFAOYSA-N 1 0 334.347 3.089 20 5 EGBDRO CC[NH+](CC)CCC[C@@H](C)Nc1nccc2cc([N+](=O)[O-])ccc21 ZINC000450211811 310108761 /nfs/dbraw/zinc/10/87/61/310108761.db2.gz QYQMZFXTXLHGAQ-CQSZACIVSA-N 1 0 330.432 3.487 20 5 EGBDRO CC(C)[NH+]1CCC(Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CC1 ZINC000450224485 310109500 /nfs/dbraw/zinc/10/95/00/310109500.db2.gz UWJIIQFEPMKHIA-UHFFFAOYSA-N 1 0 346.456 3.425 20 5 EGBDRO O=[N+]([O-])c1cccc2c1ccnc2N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000450326516 310115727 /nfs/dbraw/zinc/11/57/27/310115727.db2.gz YPUMWCUJFHCNNQ-AWEZNQCLSA-N 1 0 326.400 3.208 20 5 EGBDRO C[N@@H+]1CC[C@@H]2CCN(c3nc(-c4ccc([N+](=O)[O-])cc4)cs3)[C@H]2C1 ZINC000450429509 310122074 /nfs/dbraw/zinc/12/20/74/310122074.db2.gz LOROMKAUYNTBTF-CJNGLKHVSA-N 1 0 344.440 3.249 20 5 EGBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(c2nccc3cc([N+](=O)[O-])ccc32)C[C@@H](C)C1 ZINC000450540980 310129017 /nfs/dbraw/zinc/12/90/17/310129017.db2.gz PQPFUTOWWSZWLT-IYOUNJFTSA-N 1 0 340.427 3.310 20 5 EGBDRO CC[C@@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000450867359 310146910 /nfs/dbraw/zinc/14/69/10/310146910.db2.gz ZESMJLRRFOUJDS-LLVKDONJSA-N 1 0 329.347 3.117 20 5 EGBDRO Cc1ccccc1CNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000451107862 310160952 /nfs/dbraw/zinc/16/09/52/310160952.db2.gz UEKXRBLMJGSWHV-GJZGRUSLSA-N 1 0 341.411 3.259 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H]1CCC12CCCC2 ZINC000451464021 310179588 /nfs/dbraw/zinc/17/95/88/310179588.db2.gz YBEYJBPKBGDGHJ-INIZCTEOSA-N 1 0 347.415 3.244 20 5 EGBDRO CCCCNC(=O)CC[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451545548 310184753 /nfs/dbraw/zinc/18/47/53/310184753.db2.gz HRXABPSJXNUZSW-INIZCTEOSA-N 1 0 333.432 3.081 20 5 EGBDRO C[C@H](C(=O)N1CCCCC1)[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451547143 310185104 /nfs/dbraw/zinc/18/51/04/310185104.db2.gz KIKYXZGRPSISAN-NVXWUHKLSA-N 1 0 345.443 3.175 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](CCO[C@H]3CCCCO3)C2)cc1 ZINC000451551731 310185713 /nfs/dbraw/zinc/18/57/13/310185713.db2.gz UWUGJXZGIXDZNI-AEFFLSMTSA-N 1 0 334.416 3.317 20 5 EGBDRO COc1ccc(NC(=O)C[NH2+][C@@H](C)[C@@H]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000452070064 310210296 /nfs/dbraw/zinc/21/02/96/310210296.db2.gz OPBVECRXXQLIBV-MELADBBJSA-N 1 0 349.431 3.346 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000452111773 310212947 /nfs/dbraw/zinc/21/29/47/310212947.db2.gz DACDRTYHRCHWFL-KRWDZBQOSA-N 1 0 335.448 3.297 20 5 EGBDRO CC[N@H+](C)[C@H](C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000452183335 310217349 /nfs/dbraw/zinc/21/73/49/310217349.db2.gz OOBGGOBKHJWFSJ-KSSFIOAISA-N 1 0 341.411 3.465 20 5 EGBDRO CC(C)[C@@H](C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)[NH+]1CCCCC1 ZINC000452577172 310232858 /nfs/dbraw/zinc/23/28/58/310232858.db2.gz WWZBXOBEHJTISP-YOEHRIQHSA-N 1 0 333.432 3.283 20 5 EGBDRO CCC[C@@H]([NH2+]C(C)C)C(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452857453 310245921 /nfs/dbraw/zinc/24/59/21/310245921.db2.gz QROQYNNTPAVCIM-FUHWJXTLSA-N 1 0 347.459 3.468 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H](O)Cc1cccc(F)c1)CCC2 ZINC000453226388 310265325 /nfs/dbraw/zinc/26/53/25/310265325.db2.gz XRLVZACTRGHVLZ-IEBWSBKVSA-N 1 0 344.386 3.305 20 5 EGBDRO Cn1cc(Cl)c(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000453333071 310271485 /nfs/dbraw/zinc/27/14/85/310271485.db2.gz ZIPVXXVYLVEUPH-AWEZNQCLSA-N 1 0 334.807 3.093 20 5 EGBDRO COC(=O)COc1ccc(C[NH2+][C@@H](C)CC(C)(C)C)cc1[N+](=O)[O-] ZINC000453598901 310283515 /nfs/dbraw/zinc/28/35/15/310283515.db2.gz KDHFOIJSPHYZGH-LBPRGKRZSA-N 1 0 338.404 3.061 20 5 EGBDRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000456134483 310389996 /nfs/dbraw/zinc/38/99/96/310389996.db2.gz GRWHUFVQZINQBG-INMHGKMJSA-N 1 0 345.443 3.174 20 5 EGBDRO COc1ccc(NC(=O)C[NH2+][C@@]2(C)CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000459623889 310564876 /nfs/dbraw/zinc/56/48/76/310564876.db2.gz ZPVZPWVZUQZEED-PXAZEXFGSA-N 1 0 335.404 3.100 20 5 EGBDRO O=[N+]([O-])c1ccc(NCCC[NH+]2CCCCC2)cc1OC(F)F ZINC000462920719 310607684 /nfs/dbraw/zinc/60/76/84/310607684.db2.gz AROQEBWWSORXNN-UHFFFAOYSA-N 1 0 329.347 3.484 20 5 EGBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)C[NH+](CC)CC ZINC000462997186 310608114 /nfs/dbraw/zinc/60/81/14/310608114.db2.gz SUNLDRNWZWBISC-GOEBONIOSA-N 1 0 335.448 3.010 20 5 EGBDRO Cc1ccccc1C[C@H](CO)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000466900037 310662649 /nfs/dbraw/zinc/66/26/49/310662649.db2.gz OSRAWIGZPOXSKB-OEPRFQHASA-N 1 0 326.396 3.110 20 5 EGBDRO CC[NH+](CC)[C@H](CNc1ccc([N+](=O)[O-])c(C)n1)c1ccsc1 ZINC000471635490 310740839 /nfs/dbraw/zinc/74/08/39/310740839.db2.gz QUWJQHKDMASLSR-OAHLLOKOSA-N 1 0 334.445 3.277 20 5 EGBDRO O=C(NC1CC[NH+](C2CCCCC2)CC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000473566067 310777291 /nfs/dbraw/zinc/77/72/91/310777291.db2.gz YNHCKZWFFQURCU-UHFFFAOYSA-N 1 0 349.406 3.261 20 5 EGBDRO C[C@H](C[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000480669312 310898838 /nfs/dbraw/zinc/89/88/38/310898838.db2.gz KEQSKMYWYGGTPZ-ZJUUUORDSA-N 1 0 333.310 3.100 20 5 EGBDRO Cc1cc(NC(=O)N[C@H](C)C[NH+]2CCCCCC2)ccc1[N+](=O)[O-] ZINC000481122016 310906722 /nfs/dbraw/zinc/90/67/22/310906722.db2.gz ISKPEPHUOZIMST-CQSZACIVSA-N 1 0 334.420 3.289 20 5 EGBDRO Cc1c([C@H](C)[NH2+]C[C@H](CO)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000481175901 310907849 /nfs/dbraw/zinc/90/78/49/310907849.db2.gz QJWUAUGROIGQNE-DOTOQJQBSA-N 1 0 328.412 3.405 20 5 EGBDRO CC[C@H](NC(=O)N1CC[N@H+](C)[C@H](C(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000487425810 311023042 /nfs/dbraw/zinc/02/30/42/311023042.db2.gz CMVXQQYWRFJKGZ-IRXDYDNUSA-N 1 0 348.447 3.028 20 5 EGBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000487829274 311038849 /nfs/dbraw/zinc/03/88/49/311038849.db2.gz CDEFVSVTFXAQAF-AWEZNQCLSA-N 1 0 348.447 3.004 20 5 EGBDRO CC[NH+](CC)CC1CCN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000491276400 311171372 /nfs/dbraw/zinc/17/13/72/311171372.db2.gz GPNZLWRTLFDPHT-KTKRTIGZSA-N 1 0 345.443 3.188 20 5 EGBDRO Cn1c(=O)c(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])cc2ccccc21 ZINC000491516635 311182671 /nfs/dbraw/zinc/18/26/71/311182671.db2.gz XPXAKKMYMHBXIJ-TWGQIWQCSA-N 1 0 349.390 3.250 20 5 EGBDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000491944515 311201346 /nfs/dbraw/zinc/20/13/46/311201346.db2.gz CLFJZPAIBGBVCJ-MNDMWVCDSA-N 1 0 349.406 3.080 20 5 EGBDRO COc1ccc(OCC[N@H+](C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000511093181 312154553 /nfs/dbraw/zinc/15/45/53/312154553.db2.gz QAPZCIKUKUZJQM-UHFFFAOYSA-N 1 0 330.384 3.157 20 5 EGBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])[C@H]1CCCN(CC(C)(C)C)C1=O ZINC000511125598 312155735 /nfs/dbraw/zinc/15/57/35/312155735.db2.gz OJWHCVSOSCGSDR-KRWDZBQOSA-N 1 0 347.459 3.106 20 5 EGBDRO CCOCC[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000512823913 312196046 /nfs/dbraw/zinc/19/60/46/312196046.db2.gz YLXFLPNCFBSUQK-UHFFFAOYSA-N 1 0 329.400 3.489 20 5 EGBDRO Cc1cc(C)c(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])c(C)c1 ZINC000514856272 312249797 /nfs/dbraw/zinc/24/97/97/312249797.db2.gz WXJXCVDVJMLBER-MRXNPFEDSA-N 1 0 344.411 3.050 20 5 EGBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCCN(c2ccccc2)CC1 ZINC000515550841 312289089 /nfs/dbraw/zinc/28/90/89/312289089.db2.gz OZIOUHGGQCZBPM-UHFFFAOYSA-N 1 0 341.411 3.186 20 5 EGBDRO Cc1cccc(C[C@H](CO)[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000527214747 312842392 /nfs/dbraw/zinc/84/23/92/312842392.db2.gz XVFBWEMVDYQWNB-DOTOQJQBSA-N 1 0 328.412 3.466 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C)cc(C[NH+](C)C)c1 ZINC000534704228 313995009 /nfs/dbraw/zinc/99/50/09/313995009.db2.gz GNZIOLCWPOUDDF-UHFFFAOYSA-N 1 0 343.383 3.226 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000537609608 314195754 /nfs/dbraw/zinc/19/57/54/314195754.db2.gz DZYGIGXZPHWHQB-GOEBONIOSA-N 1 0 331.416 3.051 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000537641119 314199818 /nfs/dbraw/zinc/19/98/18/314199818.db2.gz OBGAVVSEBNZVKN-DOMZBBRYSA-N 1 0 347.459 3.370 20 5 EGBDRO COc1ccc(C2([NH2+]CCOc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000538161287 314230302 /nfs/dbraw/zinc/23/03/02/314230302.db2.gz MYTMABRRFSSMSN-UHFFFAOYSA-N 1 0 328.368 3.261 20 5 EGBDRO COc1ccc(-c2ccc(C[NH2+]C[C@](C)(O)C(C)C)o2)c([N+](=O)[O-])c1 ZINC000538398268 314244710 /nfs/dbraw/zinc/24/47/10/314244710.db2.gz HUUFBHKVPKMDIB-SFHVURJKSA-N 1 0 348.399 3.360 20 5 EGBDRO Cc1cc(NCC[C@H]2CCO[C@@H](C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000543208645 314614271 /nfs/dbraw/zinc/61/42/71/314614271.db2.gz REBFGMXQLMHXPR-KBPBESRZSA-N 1 0 329.400 3.490 20 5 EGBDRO O=[N+]([O-])c1c2cccnc2ccc1N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000547961642 314955207 /nfs/dbraw/zinc/95/52/07/314955207.db2.gz HKSITSHLZJMFFU-CQSZACIVSA-N 1 0 326.400 3.208 20 5 EGBDRO Cc1cc(N2CC[C@@H]([NH+]3CC=CC3)C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000549142232 315078043 /nfs/dbraw/zinc/07/80/43/315078043.db2.gz GUADJQQRGHAPQH-GFCCVEGCSA-N 1 0 341.333 3.373 20 5 EGBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000551547986 315158486 /nfs/dbraw/zinc/15/84/86/315158486.db2.gz GNFRMKHGSVUVQN-OAHLLOKOSA-N 1 0 347.459 3.063 20 5 EGBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC1CC[NH+](C(C)(C)C)CC1 ZINC000552953330 315238907 /nfs/dbraw/zinc/23/89/07/315238907.db2.gz LICJPIYEYQIXCA-UHFFFAOYSA-N 1 0 349.431 3.365 20 5 EGBDRO C[C@@H](NC(=O)c1ccc(CC[NH+](C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000553004181 315241154 /nfs/dbraw/zinc/24/11/54/315241154.db2.gz MZMXDVLJFVPBIH-CQSZACIVSA-N 1 0 341.411 3.190 20 5 EGBDRO Cc1cc(F)ccc1CC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000562734883 315890542 /nfs/dbraw/zinc/89/05/42/315890542.db2.gz IGVRPRKOZOCFDX-UHFFFAOYSA-N 1 0 345.374 3.203 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CN(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000564313564 316134579 /nfs/dbraw/zinc/13/45/79/316134579.db2.gz YPZYZVXGJKYFNL-UIRWJGRMSA-N 1 0 347.459 3.041 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C\CN1CC[NH2+]C[C@H]1c1cccc(F)c1 ZINC000565659260 316353227 /nfs/dbraw/zinc/35/32/27/316353227.db2.gz SNIAQIDWPXCBHD-OCTSTCLRSA-N 1 0 341.386 3.394 20 5 EGBDRO COc1ccc(OC)c(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000566474585 316482585 /nfs/dbraw/zinc/48/25/85/316482585.db2.gz HRKHOFGYDWCNPB-INIZCTEOSA-N 1 0 328.368 3.389 20 5 EGBDRO C[C@H](CCNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000567535606 316631218 /nfs/dbraw/zinc/63/12/18/316631218.db2.gz MMWAOODXPIBGGO-HUUCEWRRSA-N 1 0 333.432 3.079 20 5 EGBDRO C[C@H]([NH2+][C@H]1C[C@@H](C)N(c2ccccc2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000178659496 323359378 /nfs/dbraw/zinc/35/93/78/323359378.db2.gz HBLINGFAPCDROC-GLJUWKHASA-N 1 0 339.395 3.439 20 5 EGBDRO CCSc1ccc([C@H](C)[NH2+]CCn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000182114812 323526635 /nfs/dbraw/zinc/52/66/35/323526635.db2.gz OBQHOBNXJMVEOO-ZDUSSCGKSA-N 1 0 347.440 3.219 20 5 EGBDRO CC(C)c1ccc(C(=O)N2CCCC[C@H]2C[NH+](C)C)cc1[N+](=O)[O-] ZINC000189706089 323784816 /nfs/dbraw/zinc/78/48/16/323784816.db2.gz ZPCRRLVYBVFRNF-HNNXBMFYSA-N 1 0 333.432 3.275 20 5 EGBDRO O=C(C[NH2+][C@H](c1ccccc1)C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000192501103 323818025 /nfs/dbraw/zinc/81/80/25/323818025.db2.gz NGFYNLJUIFNNFB-GOSISDBHSA-N 1 0 325.368 3.274 20 5 EGBDRO [NH3+]CC1(CC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CCCCC1 ZINC000576640233 324653840 /nfs/dbraw/zinc/65/38/40/324653840.db2.gz REGQMNYGXHPMJM-UHFFFAOYSA-N 1 0 345.443 3.385 20 5 EGBDRO O=C(CC[NH2+]CCCc1cccs1)Nc1ccccc1[N+](=O)[O-] ZINC000578350437 324957042 /nfs/dbraw/zinc/95/70/42/324957042.db2.gz OIWXCORGBJBNCS-UHFFFAOYSA-N 1 0 333.413 3.207 20 5 EGBDRO CCOc1ccc(NC(=O)C[N@H+](CC)C(CC)CC)c([N+](=O)[O-])c1 ZINC000579283760 325088028 /nfs/dbraw/zinc/08/80/28/325088028.db2.gz SVLMWEVAVLJGOF-UHFFFAOYSA-N 1 0 337.420 3.443 20 5 EGBDRO CC(C)CC[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000579557401 325125834 /nfs/dbraw/zinc/12/58/34/325125834.db2.gz OYSPWBBQYMQMDL-UHFFFAOYSA-N 1 0 348.184 3.335 20 5 EGBDRO CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000581659213 325380141 /nfs/dbraw/zinc/38/01/41/325380141.db2.gz PIGDKOXRFUTURU-QGZVFWFLSA-N 1 0 347.459 3.205 20 5 EGBDRO C[C@H]([NH2+][C@@H](C)C1CCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000157734013 455225680 /nfs/dbraw/zinc/22/56/80/455225680.db2.gz OCCCWURLTXZYKW-UWVGGRQHSA-N 1 0 325.796 3.353 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[N@@H+](C)C[C@H]1C(C)C ZINC000180701050 455230498 /nfs/dbraw/zinc/23/04/98/455230498.db2.gz VUPNOTXPJDJQAQ-HNNXBMFYSA-N 1 0 334.420 3.016 20 5 EGBDRO Cc1ccccc1[C@H](CC(C)C)[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000183238096 455256954 /nfs/dbraw/zinc/25/69/54/455256954.db2.gz AOCMOCYZWJSJJT-SFHVURJKSA-N 1 0 343.427 3.442 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000183267783 455265061 /nfs/dbraw/zinc/26/50/61/455265061.db2.gz DXUQPMMYCLDVDX-UHFFFAOYSA-N 1 0 349.431 3.392 20 5 EGBDRO COc1cccc2c1OC[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C2 ZINC000173381402 455276469 /nfs/dbraw/zinc/27/64/69/455276469.db2.gz AVRIKTYIVHEZDL-DOMZBBRYSA-N 1 0 328.368 3.258 20 5 EGBDRO CS[C@@H](C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C(C)(C)C ZINC000612193741 460563511 /nfs/dbraw/zinc/56/35/11/460563511.db2.gz RODPEERTIUWKHH-HNNXBMFYSA-N 1 0 340.445 3.233 20 5 EGBDRO C[C@@H](C(=O)NCc1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCCCCC1 ZINC000183742641 455324656 /nfs/dbraw/zinc/32/46/56/455324656.db2.gz DNFMTYWJSIVDTL-LBPRGKRZSA-N 1 0 339.823 3.129 20 5 EGBDRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000010284141 453284477 /nfs/dbraw/zinc/28/44/77/453284477.db2.gz PJCSEUFENFUBJX-UHFFFAOYSA-N 1 0 347.440 3.428 20 5 EGBDRO CC1(c2ccc(-c3cc([N+](=O)[O-])ccc3CO)cc2)CC[NH2+]CC1 ZINC000600781441 460602017 /nfs/dbraw/zinc/60/20/17/460602017.db2.gz BRBJNVLWSZZGDC-UHFFFAOYSA-N 1 0 326.396 3.395 20 5 EGBDRO COC(=O)c1cc(-c2cccc([C@H]3CCC[NH2+]3)c2)cc([N+](=O)[O-])c1 ZINC000600789261 460604876 /nfs/dbraw/zinc/60/48/76/460604876.db2.gz UBHVNQYUYJRVNB-QGZVFWFLSA-N 1 0 326.352 3.473 20 5 EGBDRO CCc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2)[NH+](C)C)cc1 ZINC000018017102 453641540 /nfs/dbraw/zinc/64/15/40/453641540.db2.gz BVRPOKNJYNDCQV-GOSISDBHSA-N 1 0 341.411 3.190 20 5 EGBDRO Cn1cnc([N+](=O)[O-])c1NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000029625400 453830348 /nfs/dbraw/zinc/83/03/48/453830348.db2.gz BLHFQVHIWTYSAQ-AWEZNQCLSA-N 1 0 349.822 3.231 20 5 EGBDRO CC[NH+](CC)CCN(CC(C)C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000031098055 453838493 /nfs/dbraw/zinc/83/84/93/453838493.db2.gz DXJCQVHNOHTFML-UHFFFAOYSA-N 1 0 336.436 3.427 20 5 EGBDRO C[NH+](C)CCN(C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)C1CCCC1 ZINC000053153157 453862775 /nfs/dbraw/zinc/86/27/75/453862775.db2.gz YACUINCUXANKGX-UHFFFAOYSA-N 1 0 344.415 3.023 20 5 EGBDRO C[C@H](C[N@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000066853956 453881079 /nfs/dbraw/zinc/88/10/79/453881079.db2.gz UMANRZOPZAOFSL-OAHLLOKOSA-N 1 0 341.411 3.293 20 5 EGBDRO CC(C)N(C)C(=O)C1CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000075638104 453914206 /nfs/dbraw/zinc/91/42/06/453914206.db2.gz XDYVDYQHFYXLQE-AWEZNQCLSA-N 1 0 333.432 3.235 20 5 EGBDRO CC[NH+](CC)[C@@H](CNC(=O)c1cccc(C)c1[N+](=O)[O-])c1ccco1 ZINC000067275592 453916882 /nfs/dbraw/zinc/91/68/82/453916882.db2.gz ZUXJRRJHOQHDEU-HNNXBMFYSA-N 1 0 345.399 3.309 20 5 EGBDRO CC(C)(C)CC[NH+]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000083169100 453940457 /nfs/dbraw/zinc/94/04/57/453940457.db2.gz AWVBJNZVDCVHRZ-UHFFFAOYSA-N 1 0 346.431 3.290 20 5 EGBDRO C[C@@H]1CSCC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000190842766 455390084 /nfs/dbraw/zinc/39/00/84/455390084.db2.gz BMEBGPYJARPKDP-ZDUSSCGKSA-N 1 0 346.456 3.180 20 5 EGBDRO O=[N+]([O-])c1ccc2oc(CN3CCC[N@@H+](C4CCCC4)CC3)nc2c1 ZINC000083225439 453944436 /nfs/dbraw/zinc/94/44/36/453944436.db2.gz JSTYVUMHJRVGFG-UHFFFAOYSA-N 1 0 344.415 3.186 20 5 EGBDRO Cc1cc(C(=O)N(CC[NH+](C)C)Cc2cccs2)ccc1[N+](=O)[O-] ZINC000084249757 453980042 /nfs/dbraw/zinc/98/00/42/453980042.db2.gz AZBYPESLLROMJH-UHFFFAOYSA-N 1 0 347.440 3.169 20 5 EGBDRO Cc1c(C(=O)N(CC[NH+](C)C)Cc2cccs2)cccc1[N+](=O)[O-] ZINC000084251153 453980659 /nfs/dbraw/zinc/98/06/59/453980659.db2.gz OQWPBDPRFVSHLP-UHFFFAOYSA-N 1 0 347.440 3.169 20 5 EGBDRO C[NH+](C)[C@H](CNC(=O)/C=C/c1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000068414953 454025429 /nfs/dbraw/zinc/02/54/29/454025429.db2.gz SQHZNFFBVUIUGU-XVJNWHFHSA-N 1 0 345.424 3.089 20 5 EGBDRO Cc1ccccc1CNC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000056196464 454043273 /nfs/dbraw/zinc/04/32/73/454043273.db2.gz MEUVIGNMXDUUTG-LSDHHAIUSA-N 1 0 341.411 3.259 20 5 EGBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000056196927 454043340 /nfs/dbraw/zinc/04/33/40/454043340.db2.gz PUORPZZSVQIOED-STQMWFEESA-N 1 0 343.383 3.281 20 5 EGBDRO COc1ccccc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000056197189 454043681 /nfs/dbraw/zinc/04/36/81/454043681.db2.gz QIEGWRWLFGVTTH-CHWSQXEVSA-N 1 0 343.383 3.281 20 5 EGBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000056328374 454051101 /nfs/dbraw/zinc/05/11/01/454051101.db2.gz ARWZSPHBELBTFE-UHFFFAOYSA-N 1 0 332.404 3.077 20 5 EGBDRO C[C@H](NC(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000056400007 454056324 /nfs/dbraw/zinc/05/63/24/454056324.db2.gz AWNQPVCAEFDPQA-ILXRZTDVSA-N 1 0 348.447 3.218 20 5 EGBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000069044405 454074811 /nfs/dbraw/zinc/07/48/11/454074811.db2.gz RRZDGTFHNWXPRH-GFCCVEGCSA-N 1 0 339.823 3.098 20 5 EGBDRO O=C(NCCC[NH+]1CCCCCC1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000069618026 454125656 /nfs/dbraw/zinc/12/56/56/454125656.db2.gz JFJDSMGICIKOKW-UHFFFAOYSA-N 1 0 339.823 3.244 20 5 EGBDRO O=[N+]([O-])c1cccnc1NCC1CC[NH+](Cc2cccs2)CC1 ZINC000057854714 454152553 /nfs/dbraw/zinc/15/25/53/454152553.db2.gz SRZFEFNNOXKZPB-UHFFFAOYSA-N 1 0 332.429 3.375 20 5 EGBDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000045950991 454200032 /nfs/dbraw/zinc/20/00/32/454200032.db2.gz JSPNUJZZKWYGEW-CQSZACIVSA-N 1 0 334.420 3.228 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]CCS(=O)(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000095967453 454242216 /nfs/dbraw/zinc/24/22/16/454242216.db2.gz PPQMDSLAQGZBKN-AWEZNQCLSA-N 1 0 348.424 3.028 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H]1CCCCC1(C)C ZINC000119996618 454244805 /nfs/dbraw/zinc/24/48/05/454244805.db2.gz TZDDINXHBQABQX-INIZCTEOSA-N 1 0 349.431 3.490 20 5 EGBDRO Cc1c(C[NH+]2CCC(CN3CCCCC3=O)CC2)cccc1[N+](=O)[O-] ZINC000071912003 454254202 /nfs/dbraw/zinc/25/42/02/454254202.db2.gz CTETZLLHOZFIAP-UHFFFAOYSA-N 1 0 345.443 3.128 20 5 EGBDRO CCC[C@H]([NH2+][C@@H](C)CCN1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000090046592 454265955 /nfs/dbraw/zinc/26/59/55/454265955.db2.gz XAPWDUINJQZYSZ-YJBOKZPZSA-N 1 0 335.448 3.136 20 5 EGBDRO CC[C@H]([NH2+][C@@H](C)C(=O)N1CCCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000090068392 454271558 /nfs/dbraw/zinc/27/15/58/454271558.db2.gz HAOHZXXOTOELFW-YOEHRIQHSA-N 1 0 333.432 3.427 20 5 EGBDRO COc1ccc([C@@H](CCO)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000120381804 454293675 /nfs/dbraw/zinc/29/36/75/454293675.db2.gz SAPKHSCUCORFDK-FZKQIMNGSA-N 1 0 330.384 3.378 20 5 EGBDRO CCC[NH+]1CCC(N(C)C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000060559193 454302324 /nfs/dbraw/zinc/30/23/24/454302324.db2.gz WXQMXRZJDWLPGH-UHFFFAOYSA-N 1 0 339.823 3.195 20 5 EGBDRO CC[C@H](C)[C@@H](C)[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000060562682 454302766 /nfs/dbraw/zinc/30/27/66/454302766.db2.gz ITPSIECDZXSRDY-VBQJREDUSA-N 1 0 336.432 3.234 20 5 EGBDRO C[C@@H]([NH2+][C@H]1CCN(C2CCCCC2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000090464363 454309642 /nfs/dbraw/zinc/30/96/42/454309642.db2.gz QXYULSJCJRBUQD-DYVFJYSZSA-N 1 0 331.416 3.179 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1[C@H](C)C[C@H]2CCCC[C@@H]21 ZINC000072663549 454324207 /nfs/dbraw/zinc/32/42/07/454324207.db2.gz RWMLDGNSHAQTKP-KFWWJZLASA-N 1 0 331.416 3.495 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1C[C@@H](C)S[C@H](C)C1 ZINC000072769255 454338247 /nfs/dbraw/zinc/33/82/47/454338247.db2.gz ZBRCUILEQBXOHK-CHWSQXEVSA-N 1 0 337.445 3.058 20 5 EGBDRO CC[NH+](CC)[C@H](CNc1c([N+](=O)[O-])c(C)nn1C)c1ccccc1 ZINC000047370205 454364454 /nfs/dbraw/zinc/36/44/54/454364454.db2.gz ZNDGZDBPAHWLJE-OAHLLOKOSA-N 1 0 331.420 3.132 20 5 EGBDRO CCC[C@H]1CCCN(CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000120925546 454364814 /nfs/dbraw/zinc/36/48/14/454364814.db2.gz DSUPOLKWGYMLAM-ZDUSSCGKSA-N 1 0 335.404 3.054 20 5 EGBDRO CNC(=O)c1cccc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1 ZINC000072960194 454370964 /nfs/dbraw/zinc/37/09/64/454370964.db2.gz JXBHBWXWUWISAU-UHFFFAOYSA-N 1 0 341.411 3.365 20 5 EGBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000121274481 454414418 /nfs/dbraw/zinc/41/44/18/454414418.db2.gz YXKJUUHJACROHO-HNNXBMFYSA-N 1 0 332.404 3.077 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000097145772 454416621 /nfs/dbraw/zinc/41/66/21/454416621.db2.gz SYWSMZRROFKDSP-HOCLYGCPSA-N 1 0 346.431 3.160 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC[N@H+](C)C1CCCCC1 ZINC000063582523 454425605 /nfs/dbraw/zinc/42/56/05/454425605.db2.gz KGUBAKIQSZRJLX-UHFFFAOYSA-N 1 0 333.432 3.240 20 5 EGBDRO CC[N@H+](C)Cc1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000063704659 454438507 /nfs/dbraw/zinc/43/85/07/454438507.db2.gz CDPCOBMMQUZAGX-UHFFFAOYSA-N 1 0 341.411 3.285 20 5 EGBDRO CC(C)[NH+](CCCNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)C(C)C ZINC000074336456 454566321 /nfs/dbraw/zinc/56/63/21/454566321.db2.gz MFTPDFRCRCOEMP-UHFFFAOYSA-N 1 0 346.431 3.315 20 5 EGBDRO C[C@@H]([NH2+]CC1(N2CCOCC2)CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000080464728 454585401 /nfs/dbraw/zinc/58/54/01/454585401.db2.gz DCKMLSDTEZPGPE-MRXNPFEDSA-N 1 0 347.459 3.281 20 5 EGBDRO COc1ccc2c(c1)C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)CC2 ZINC000065536754 454587703 /nfs/dbraw/zinc/58/77/03/454587703.db2.gz HDZBBQPPDZHSAG-UHFFFAOYSA-N 1 0 328.368 3.041 20 5 EGBDRO CC[NH+]1CCC(N(C)c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000092585123 454589912 /nfs/dbraw/zinc/58/99/12/454589912.db2.gz KLWAMOXNUJJUHE-UHFFFAOYSA-N 1 0 329.347 3.117 20 5 EGBDRO COCCC[NH+]1CCC(Nc2cc(C)c([N+](=O)[O-])cc2Cl)CC1 ZINC000080611141 454606519 /nfs/dbraw/zinc/60/65/19/454606519.db2.gz GQKNPNFCNYSIPX-UHFFFAOYSA-N 1 0 341.839 3.469 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@H](c2ccccc2)C1 ZINC000123369681 454628850 /nfs/dbraw/zinc/62/88/50/454628850.db2.gz XIPCWLKROKFHBZ-INIZCTEOSA-N 1 0 339.395 3.331 20 5 EGBDRO CC[NH+](CC)CCOc1ccc(CNc2ncccc2[N+](=O)[O-])cc1 ZINC000052161487 454657662 /nfs/dbraw/zinc/65/76/62/454657662.db2.gz BVXORPHJKPFSDD-UHFFFAOYSA-N 1 0 344.415 3.323 20 5 EGBDRO C[C@H]([NH2+]CC(C)(C)N1C[C@@H](C)O[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000123686435 454664528 /nfs/dbraw/zinc/66/45/28/454664528.db2.gz WHMSOCIPXVTNPH-KFWWJZLASA-N 1 0 335.448 3.133 20 5 EGBDRO C[C@]1(C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCCO1 ZINC000152880821 454736465 /nfs/dbraw/zinc/73/64/65/454736465.db2.gz IQZBMGPAZDPFQP-MRXNPFEDSA-N 1 0 333.413 3.377 20 5 EGBDRO CCC[N@@H+]1CC[C@@H](CN[C@@H](C)c2ccc(OCC)c([N+](=O)[O-])c2)C1 ZINC000153145405 454764633 /nfs/dbraw/zinc/76/46/33/454764633.db2.gz HCDLFQKOVVCOES-GJZGRUSLSA-N 1 0 335.448 3.376 20 5 EGBDRO CCOc1ccc([C@H](C)[NH2+]Cc2ccccc2CO)cc1[N+](=O)[O-] ZINC000153162883 454766517 /nfs/dbraw/zinc/76/65/17/454766517.db2.gz VMIBEWHSOUSIGC-ZDUSSCGKSA-N 1 0 330.384 3.337 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@@H](O)c1ccc(F)cc1)C1CC1 ZINC000124786634 454770046 /nfs/dbraw/zinc/77/00/46/454770046.db2.gz SXOHALAAEDKLLD-IEBWSBKVSA-N 1 0 344.386 3.378 20 5 EGBDRO Cc1ccc([C@@H](C)NC(=O)N2CCC([NH2+]C(C)C)CC2)cc1[N+](=O)[O-] ZINC000176725963 454776240 /nfs/dbraw/zinc/77/62/40/454776240.db2.gz TVLPSXOQZHQNNZ-CQSZACIVSA-N 1 0 348.447 3.136 20 5 EGBDRO CCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Cc1ccccn1 ZINC000125367244 454816926 /nfs/dbraw/zinc/81/69/26/454816926.db2.gz CVTUYQIJWVWKBW-UHFFFAOYSA-N 1 0 348.790 3.104 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1CCN(CC(F)(F)F)C1 ZINC000163142951 454825841 /nfs/dbraw/zinc/82/58/41/454825841.db2.gz KTLHORREFFBSEQ-STQMWFEESA-N 1 0 345.365 3.438 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@@H](C)C1(C)CC1 ZINC000177252419 454842877 /nfs/dbraw/zinc/84/28/77/454842877.db2.gz YUFCWJLAKVWGQE-LBPRGKRZSA-N 1 0 335.404 3.052 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(C[NH+](C)C)ccc2C)c1 ZINC000177340463 454853435 /nfs/dbraw/zinc/85/34/35/454853435.db2.gz XTLGYZWHTUESKD-UHFFFAOYSA-N 1 0 343.383 3.226 20 5 EGBDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000110976841 454855585 /nfs/dbraw/zinc/85/55/85/454855585.db2.gz GPYFALPESRCFMP-HNNXBMFYSA-N 1 0 347.459 3.154 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC(OC[C@H]3CCCCO3)CC2)cc1 ZINC000177601188 454882674 /nfs/dbraw/zinc/88/26/74/454882674.db2.gz MSCRJWDMUZORMM-GOSISDBHSA-N 1 0 334.416 3.145 20 5 EGBDRO Cn1ncc2c1ncnc2SCc1c(Cl)cccc1[N+](=O)[O-] ZINC000154360814 454889055 /nfs/dbraw/zinc/88/90/55/454889055.db2.gz BTLUXEXXOZPEMK-UHFFFAOYSA-N 1 0 335.776 3.217 20 5 EGBDRO C[NH+](C)CCC1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000112924828 454906082 /nfs/dbraw/zinc/90/60/82/454906082.db2.gz BEISLBZYOPZQMN-UHFFFAOYSA-N 1 0 339.823 3.052 20 5 EGBDRO Cc1c([C@@H](C)[NH2+][C@H]2CCN(c3ncccc3F)C2)cccc1[N+](=O)[O-] ZINC000168172885 454925651 /nfs/dbraw/zinc/92/56/51/454925651.db2.gz VBWVCHFAPZPDCA-KGLIPLIRSA-N 1 0 344.390 3.367 20 5 EGBDRO CCC[C@H]([NH2+]CCC(=O)N1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000178200710 454942536 /nfs/dbraw/zinc/94/25/36/454942536.db2.gz PHQURBTUNKBUGL-KRWDZBQOSA-N 1 0 333.432 3.428 20 5 EGBDRO COc1ccc(NC(=O)[C@H](C)N(C)Cc2ccsc2)c([N+](=O)[O-])c1 ZINC000127204444 454945333 /nfs/dbraw/zinc/94/53/33/454945333.db2.gz UWPHTFMFZWSPLW-NSHDSACASA-N 1 0 349.412 3.124 20 5 EGBDRO COc1ccccc1C[C@H](C)[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000178864566 454986338 /nfs/dbraw/zinc/98/63/38/454986338.db2.gz OMUXPSXYUVKGAF-KSSFIOAISA-N 1 0 344.411 3.200 20 5 EGBDRO CN(C(=O)CC[N@H+](C)Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000179187475 455017133 /nfs/dbraw/zinc/01/71/33/455017133.db2.gz ADQUIAXPXANIIQ-UHFFFAOYSA-N 1 0 327.384 3.080 20 5 EGBDRO CC[C@H]([NH2+]Cc1cccc(C(=O)NC)c1)c1cccc([N+](=O)[O-])c1 ZINC000155901964 455059881 /nfs/dbraw/zinc/05/98/81/455059881.db2.gz CTPQVQMVBGFLJK-KRWDZBQOSA-N 1 0 327.384 3.195 20 5 EGBDRO CC[C@H](Cc1ccccc1)[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000128640352 455074156 /nfs/dbraw/zinc/07/41/56/455074156.db2.gz HOPNLPYMSHZMJX-QGZVFWFLSA-N 1 0 341.411 3.147 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000156033231 455074937 /nfs/dbraw/zinc/07/49/37/455074937.db2.gz YRUZFEBRVFVOJK-UHFFFAOYSA-N 1 0 346.431 3.432 20 5 EGBDRO COc1ccc(NC(=O)C[N@@H+]2[C@H](C)C[C@@H]3CCCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000118850001 455115175 /nfs/dbraw/zinc/11/51/75/455115175.db2.gz GGDIXWUJSJQVHN-WWGRRREGSA-N 1 0 347.415 3.195 20 5 EGBDRO Cc1ccc(F)cc1C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000180178053 455144795 /nfs/dbraw/zinc/14/47/95/455144795.db2.gz LTFJFGQWNGKFHZ-HNNXBMFYSA-N 1 0 330.363 3.124 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1OCC[N@H+](C)Cc1ccc(F)cc1 ZINC000189268493 455166522 /nfs/dbraw/zinc/16/65/22/455166522.db2.gz RJOGGOCLKIKWIT-UHFFFAOYSA-N 1 0 334.347 3.253 20 5 EGBDRO CCOc1ccccc1NC(=O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180436790 455169712 /nfs/dbraw/zinc/16/97/12/455169712.db2.gz MUVUTJPTCUPKEG-ZDUSSCGKSA-N 1 0 343.383 3.283 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CCCc3cccc(F)c3)C2)nc1 ZINC000182877924 455182944 /nfs/dbraw/zinc/18/29/44/455182944.db2.gz OTPGOZNJGCOWHP-INIZCTEOSA-N 1 0 344.390 3.248 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@H](O)c1cccc(F)c1)C1CC1 ZINC000157594086 455211715 /nfs/dbraw/zinc/21/17/15/455211715.db2.gz HKNGPWFRKZQCRV-MJGOQNOKSA-N 1 0 344.386 3.378 20 5 EGBDRO C[C@@H]([NH2+]CCCNC(=O)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000173405846 455279331 /nfs/dbraw/zinc/27/93/31/455279331.db2.gz UWQKTBVPOLDQNC-CYBMUJFWSA-N 1 0 345.374 3.205 20 5 EGBDRO Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H]3CCC[C@H]32)cccc1[N+](=O)[O-] ZINC000245455079 455305208 /nfs/dbraw/zinc/30/52/08/455305208.db2.gz SJVAUPAOSFDVNK-WMLDXEAASA-N 1 0 331.416 3.496 20 5 EGBDRO C[C@@](O)(C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])c1cccs1 ZINC000265776256 455378946 /nfs/dbraw/zinc/37/89/46/455378946.db2.gz NGTUJYDZUONKCN-CQSZACIVSA-N 1 0 326.805 3.307 20 5 EGBDRO CCN(CCC[NH+](C)C)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000190918512 455405715 /nfs/dbraw/zinc/40/57/15/455405715.db2.gz UEPZDRUGUFQNCE-UHFFFAOYSA-N 1 0 328.800 3.054 20 5 EGBDRO CC(C)[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000182141972 455445418 /nfs/dbraw/zinc/44/54/18/455445418.db2.gz KETZFBCBKBPNPI-MRXNPFEDSA-N 1 0 336.432 3.378 20 5 EGBDRO C[C@@H]([NH2+][C@@H](CO)Cc1c[nH]c2ccccc12)c1cccc([N+](=O)[O-])c1 ZINC000266758021 455448694 /nfs/dbraw/zinc/44/86/94/455448694.db2.gz FMOWRKBARZWZAX-CZUORRHYSA-N 1 0 339.395 3.330 20 5 EGBDRO C[C@H]([NH2+]C[C@H](CO)Cc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000266852831 455463197 /nfs/dbraw/zinc/46/31/97/455463197.db2.gz JHEHYCBYCWFZGQ-DZGCQCFKSA-N 1 0 332.375 3.236 20 5 EGBDRO COC[C@@H](Cc1ccccc1)[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000191489901 455489971 /nfs/dbraw/zinc/48/99/71/455489971.db2.gz BQNUNPWUDFJVIY-LJQANCHMSA-N 1 0 328.412 3.327 20 5 EGBDRO Cc1ccc(C[C@H](CO)[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000191583226 455500191 /nfs/dbraw/zinc/50/01/91/455500191.db2.gz HTMJNMHBRQEKQM-VQIMIIECSA-N 1 0 342.439 3.418 20 5 EGBDRO CC[N@H+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000267173710 455511322 /nfs/dbraw/zinc/51/13/22/455511322.db2.gz AIYZSJLTBFTBCM-NSHDSACASA-N 1 0 342.237 3.135 20 5 EGBDRO C[C@@H](O)[C@](C)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000191711869 455511716 /nfs/dbraw/zinc/51/17/16/455511716.db2.gz RAXNKPOYHDYZGM-BEFAXECRSA-N 1 0 328.412 3.314 20 5 EGBDRO CC[NH+](CC)CCCN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000191801056 455520956 /nfs/dbraw/zinc/52/09/56/455520956.db2.gz YHHGHDLXTDUENP-UHFFFAOYSA-N 1 0 335.448 3.170 20 5 EGBDRO CCOCCC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000246941129 455537404 /nfs/dbraw/zinc/53/74/04/455537404.db2.gz XMUVFZPUCOEKEC-BBRMVZONSA-N 1 0 339.411 3.283 20 5 EGBDRO CCCNC(=O)C1CC[NH+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000182611758 455553058 /nfs/dbraw/zinc/55/30/58/455553058.db2.gz WFQIZKVQCIGHEV-CQSZACIVSA-N 1 0 333.432 3.202 20 5 EGBDRO CN(CC[N@H+](C)C1CCCCC1)C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601019487 460678245 /nfs/dbraw/zinc/67/82/45/460678245.db2.gz CGUMTWUPPHIMBT-UHFFFAOYSA-N 1 0 337.395 3.070 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@H](CNC(=O)C(C)C)C1 ZINC000182736693 455578718 /nfs/dbraw/zinc/57/87/18/455578718.db2.gz HGQSIYDKQMKHSJ-JKSUJKDBSA-N 1 0 347.459 3.448 20 5 EGBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@@H](c1nnc[nH]1)C1CCCCC1 ZINC000292281586 455617909 /nfs/dbraw/zinc/61/79/09/455617909.db2.gz UTYPMNSJTYCUAA-MRXNPFEDSA-N 1 0 329.404 3.167 20 5 EGBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000247561141 455624737 /nfs/dbraw/zinc/62/47/37/455624737.db2.gz ZPONADMPCYLFEN-BXUZGUMPSA-N 1 0 347.440 3.222 20 5 EGBDRO C[C@H](C[C@H](C)[NH2+]Cc1ccccc1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000271424919 455631627 /nfs/dbraw/zinc/63/16/27/455631627.db2.gz CKFWBYKXJJAVQH-QWHCGFSZSA-N 1 0 337.420 3.376 20 5 EGBDRO CSC[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000292432001 455661079 /nfs/dbraw/zinc/66/10/79/455661079.db2.gz NRIYKAJZAQLLMS-NSHDSACASA-N 1 0 325.390 3.078 20 5 EGBDRO C[C@@H]1C[C@@H](C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CCO1 ZINC000271530215 455673900 /nfs/dbraw/zinc/67/39/00/455673900.db2.gz RGRXJENUZGHBOA-MNOVXSKESA-N 1 0 330.331 3.101 20 5 EGBDRO CNC(=O)c1cccc(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000192740695 455683236 /nfs/dbraw/zinc/68/32/36/455683236.db2.gz MHRLECHCZQWFBL-SFHVURJKSA-N 1 0 339.395 3.122 20 5 EGBDRO CCOCCC[N@@H+]1CC[C@H](N[C@H](C)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000248173145 455693608 /nfs/dbraw/zinc/69/36/08/455693608.db2.gz VDFQQSFDRLIMFD-MDZRGWNJSA-N 1 0 349.475 3.382 20 5 EGBDRO Cc1cnc(NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000192954521 455725964 /nfs/dbraw/zinc/72/59/64/455725964.db2.gz UMUCDAUVSPPHQJ-INIZCTEOSA-N 1 0 326.400 3.232 20 5 EGBDRO C[C@@H]1CN(CCC[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C[C@@H](C)O1 ZINC000249040625 455742485 /nfs/dbraw/zinc/74/24/85/455742485.db2.gz UTVDLZZZBFDSMV-CLCXKQKWSA-N 1 0 347.459 3.061 20 5 EGBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](CCC3CCOCC3)CC2)cc1 ZINC000292755653 455748681 /nfs/dbraw/zinc/74/86/81/455748681.db2.gz XDYQXIIHJSFBFZ-UHFFFAOYSA-N 1 0 334.416 3.255 20 5 EGBDRO CC(C)(CC[NH+]1CCCCCC1)NC(=O)c1csc([N+](=O)[O-])c1 ZINC000186806825 455839224 /nfs/dbraw/zinc/83/92/24/455839224.db2.gz ARWVUYWZSCPRAJ-UHFFFAOYSA-N 1 0 339.461 3.431 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000194480235 455848595 /nfs/dbraw/zinc/84/85/95/455848595.db2.gz BJRXVUCYLJXNDO-ZIAGYGMSSA-N 1 0 347.459 3.390 20 5 EGBDRO C[C@H](Cn1ccnc1)[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000270047005 455864579 /nfs/dbraw/zinc/86/45/79/455864579.db2.gz UCVBYYKERUZYBF-HLLBOEOZSA-N 1 0 328.416 3.181 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000187249997 455887038 /nfs/dbraw/zinc/88/70/38/455887038.db2.gz NKXJYLUMLZFURD-RDTXWAMCSA-N 1 0 341.411 3.324 20 5 EGBDRO C[NH+]1CCC([C@H]2CCN(c3ccc4cc([N+](=O)[O-])ccc4n3)C2)CC1 ZINC000270247258 455912265 /nfs/dbraw/zinc/91/22/65/455912265.db2.gz XOOXJJDVENYWIK-INIZCTEOSA-N 1 0 340.427 3.311 20 5 EGBDRO CS[C@H]1CC[N@@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000296366273 455919219 /nfs/dbraw/zinc/91/92/19/455919219.db2.gz RFDGYCCBPTWMQA-MFKMUULPSA-N 1 0 334.401 3.143 20 5 EGBDRO CC(C)c1nnc([C@@H]2CN([C@@H](C)c3cccc([N+](=O)[O-])c3)CCO2)o1 ZINC000280232321 455923110 /nfs/dbraw/zinc/92/31/10/455923110.db2.gz WDVUMSZNRXSEMC-WFASDCNBSA-N 1 0 346.387 3.236 20 5 EGBDRO CCc1ccc(C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)cc1[N+](=O)[O-] ZINC000261678849 455926005 /nfs/dbraw/zinc/92/60/05/455926005.db2.gz HDFKPJLFZBRSMT-UHFFFAOYSA-N 1 0 343.358 3.194 20 5 EGBDRO C[C@@H](CO)CCC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000270319988 455929169 /nfs/dbraw/zinc/92/91/69/455929169.db2.gz XPAAYXJUNWYMGV-GFCCVEGCSA-N 1 0 335.429 3.217 20 5 EGBDRO C[C@@H]1CN(Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C[C@@H]1[NH3+] ZINC000261977746 455981291 /nfs/dbraw/zinc/98/12/91/455981291.db2.gz IVWSGTVPFABRHZ-PBHICJAKSA-N 1 0 340.427 3.142 20 5 EGBDRO C[C@@H](O)C[C@H]1CCCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000286136115 455984846 /nfs/dbraw/zinc/98/48/46/455984846.db2.gz VIZRKQZQNWHUFP-TZMCWYRMSA-N 1 0 337.376 3.019 20 5 EGBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1c1nc2ccccc2cc1[N+](=O)[O-] ZINC000286241548 456007263 /nfs/dbraw/zinc/00/72/63/456007263.db2.gz FKSWLDUIVFMWLL-DZGCQCFKSA-N 1 0 326.400 3.206 20 5 EGBDRO O=[N+]([O-])c1ccccc1CN1CC[NH2+]C[C@@H]1c1ccccc1Cl ZINC000262298488 456021394 /nfs/dbraw/zinc/02/13/94/456021394.db2.gz XCBUWNBMDWARFH-QGZVFWFLSA-N 1 0 331.803 3.395 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)nc1 ZINC000286330705 456025558 /nfs/dbraw/zinc/02/55/58/456025558.db2.gz LNBCFIDENLXIPA-IBGZPJMESA-N 1 0 338.411 3.092 20 5 EGBDRO CNC(=O)CC[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000286413798 456043167 /nfs/dbraw/zinc/04/31/67/456043167.db2.gz KBONPOCGGZJUHN-CYBMUJFWSA-N 1 0 339.823 3.129 20 5 EGBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000270958629 456077178 /nfs/dbraw/zinc/07/71/78/456077178.db2.gz GGSLFPFCSUSTRT-NSHDSACASA-N 1 0 339.823 3.051 20 5 EGBDRO Cc1ccnc(N2CCC[N@H+](CC3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000301285489 456081047 /nfs/dbraw/zinc/08/10/47/456081047.db2.gz LSRNOXKGMLVUEU-UHFFFAOYSA-N 1 0 332.448 3.391 20 5 EGBDRO CCOc1cc(CN2C[C@H]3CCCC[N@@H+]3C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000332496233 456084182 /nfs/dbraw/zinc/08/41/82/456084182.db2.gz BWEIEWXFWHZDJK-GOEBONIOSA-N 1 0 333.432 3.052 20 5 EGBDRO CC(C)c1ccc(C(=O)N2C[C@@H]3CCCC[N@@H+]3C[C@H]2C)cc1[N+](=O)[O-] ZINC000332528540 456087097 /nfs/dbraw/zinc/08/70/97/456087097.db2.gz QARBYCXYYCWNEN-ZBFHGGJFSA-N 1 0 345.443 3.417 20 5 EGBDRO COc1cc(NCC[N@@H+]2CCc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000301378521 456102656 /nfs/dbraw/zinc/10/26/56/456102656.db2.gz SLIRMOLMQQPDKQ-UHFFFAOYSA-N 1 0 327.384 3.074 20 5 EGBDRO Cc1cc(NCCC[N@@H+]2CCc3ccccc3C2)ncc1[N+](=O)[O-] ZINC000301414728 456109707 /nfs/dbraw/zinc/10/97/07/456109707.db2.gz BGUCENJRXCXENS-UHFFFAOYSA-N 1 0 326.400 3.159 20 5 EGBDRO COCCOCC[N@H+](C)Cc1cc(=O)oc2ccc3ccccc3c12 ZINC000289148334 456116120 /nfs/dbraw/zinc/11/61/20/456116120.db2.gz ZICSCZLCNDVPIQ-UHFFFAOYSA-N 1 0 341.407 3.041 20 5 EGBDRO CSc1ccc(C(=O)NC2CC[NH+](C3CCC3)CC2)cc1[N+](=O)[O-] ZINC000297182354 456142713 /nfs/dbraw/zinc/14/27/13/456142713.db2.gz NZWAJKAQMYLTNR-UHFFFAOYSA-N 1 0 349.456 3.063 20 5 EGBDRO Cc1cc(N[C@@H](C)[C@H]2CCC[NH2+]C2)c(Br)cc1[N+](=O)[O-] ZINC000235532127 456152717 /nfs/dbraw/zinc/15/27/17/456152717.db2.gz NXRGVSKJWRPISC-QWRGUYRKSA-N 1 0 342.237 3.466 20 5 EGBDRO CC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCOC(C)(C)C1 ZINC000289884436 456169276 /nfs/dbraw/zinc/16/92/76/456169276.db2.gz RNISNNVPSRKIDP-CQSZACIVSA-N 1 0 349.431 3.203 20 5 EGBDRO CC[NH+](CC)[C@@H]1CCN(c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000301645622 456173487 /nfs/dbraw/zinc/17/34/87/456173487.db2.gz CUABJRRPICPJIA-GFCCVEGCSA-N 1 0 342.237 3.278 20 5 EGBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C[C@@H](C)C1CC[NH2+]CC1 ZINC000236796854 456185836 /nfs/dbraw/zinc/18/58/36/456185836.db2.gz PXQVFVSZKICRNE-OAHLLOKOSA-N 1 0 347.459 3.358 20 5 EGBDRO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000188992445 456193121 /nfs/dbraw/zinc/19/31/21/456193121.db2.gz HPFGQFMYNNIPGQ-NEPJUHHUSA-N 1 0 347.440 3.451 20 5 EGBDRO Cc1nc(N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)ncc1[N+](=O)[O-] ZINC000297359191 456197916 /nfs/dbraw/zinc/19/79/16/456197916.db2.gz BZAUWNGIKNKJBT-CJNGLKHVSA-N 1 0 341.415 3.016 20 5 EGBDRO C[C@H]1C[NH+](CCCCNc2cccc(F)c2[N+](=O)[O-])C[C@H](C)O1 ZINC000301724691 456199093 /nfs/dbraw/zinc/19/90/93/456199093.db2.gz PABFKXWWWDQYJB-STQMWFEESA-N 1 0 325.384 3.035 20 5 EGBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC[C@@H]1CCO[C@H](C)C1 ZINC000273188908 456207739 /nfs/dbraw/zinc/20/77/39/456207739.db2.gz PJVLZTMCLDMUKB-RBSFLKMASA-N 1 0 349.431 3.107 20 5 EGBDRO C[C@H](CCNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)[NH+]1CCCCC1 ZINC000273211017 456216070 /nfs/dbraw/zinc/21/60/70/456216070.db2.gz JQSJMCAEIGOJIO-CYBMUJFWSA-N 1 0 344.415 3.070 20 5 EGBDRO CC(C)C[N@@H+]1CCC[C@@H](CNc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000301795432 456216456 /nfs/dbraw/zinc/21/64/56/456216456.db2.gz SRHUVDCTPOSBKZ-LBPRGKRZSA-N 1 0 326.828 3.423 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000302037948 456273513 /nfs/dbraw/zinc/27/35/13/456273513.db2.gz QCSGDXOVBSQZBH-UHFFFAOYSA-N 1 0 347.459 3.232 20 5 EGBDRO CC[C@H]1CN(c2cc(C)c([N+](=O)[O-])cn2)CC[N@@H+]1Cc1ccccc1 ZINC000302135964 456296783 /nfs/dbraw/zinc/29/67/83/456296783.db2.gz BCOPAGQZQMTXSJ-KRWDZBQOSA-N 1 0 340.427 3.399 20 5 EGBDRO COc1cc(C[NH2+][C@H]2CSC[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000352795765 456317180 /nfs/dbraw/zinc/31/71/80/456317180.db2.gz FFPZPKFLVQNURH-WPRPVWTQSA-N 1 0 348.371 3.046 20 5 EGBDRO C[C@@H](CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)[N@@H+]1CCCC[C@@H]1C ZINC000342926025 456318884 /nfs/dbraw/zinc/31/88/84/456318884.db2.gz OIPIJWLBRRBRGG-STQMWFEESA-N 1 0 344.415 3.069 20 5 EGBDRO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C1CCCC1 ZINC000297908414 456322562 /nfs/dbraw/zinc/32/25/62/456322562.db2.gz PKLUQBBUIVAEQU-UHFFFAOYSA-N 1 0 335.404 3.197 20 5 EGBDRO CCOC(=O)N1CC[C@@H](Nc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)C1 ZINC000302300013 456334344 /nfs/dbraw/zinc/33/43/44/456334344.db2.gz YMQAHWHYROODJZ-GFCCVEGCSA-N 1 0 344.371 3.094 20 5 EGBDRO CC1(C)C[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC[C@H]1O ZINC000276061098 456381740 /nfs/dbraw/zinc/38/17/40/456381740.db2.gz VEFUWTSMKDYCLJ-QGZVFWFLSA-N 1 0 330.384 3.448 20 5 EGBDRO COc1cc(C[N@@H+]2CCCCC[C@@H]2C[C@@H](C)O)c([N+](=O)[O-])cc1F ZINC000352886220 456389876 /nfs/dbraw/zinc/38/98/76/456389876.db2.gz PLCVKQGBYDYSCO-TZMCWYRMSA-N 1 0 340.395 3.258 20 5 EGBDRO CN1CC[NH+](CCC(C)(C)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000302792008 456402711 /nfs/dbraw/zinc/40/27/11/456402711.db2.gz YTRZULDBLPEQEQ-UHFFFAOYSA-N 1 0 340.855 3.076 20 5 EGBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1N[C@H](C)[C@@H](C)N1CCOCC1 ZINC000302810505 456406663 /nfs/dbraw/zinc/40/66/63/456406663.db2.gz GXPZIFUKTJGBTH-VXGBXAGGSA-N 1 0 327.812 3.078 20 5 EGBDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000290731857 456415904 /nfs/dbraw/zinc/41/59/04/456415904.db2.gz PKSHFXWIQSPBMF-SNVBAGLBSA-N 1 0 328.800 3.098 20 5 EGBDRO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)[NH+](C)C ZINC000343170027 456449716 /nfs/dbraw/zinc/44/97/16/456449716.db2.gz BLDLFEMBFQCQLN-LBPRGKRZSA-N 1 0 339.461 3.023 20 5 EGBDRO C[C@H]1CN(c2ccccc2C[NH2+]Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000298481007 456469253 /nfs/dbraw/zinc/46/92/53/456469253.db2.gz PKJVXTVVPFQLBB-HNNXBMFYSA-N 1 0 341.411 3.110 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000276407334 456472066 /nfs/dbraw/zinc/47/20/66/456472066.db2.gz LQXIIMGLMXVPCX-GDBMZVCRSA-N 1 0 346.431 3.160 20 5 EGBDRO CCC(CC)(CCO)[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000282405108 456501953 /nfs/dbraw/zinc/50/19/53/456501953.db2.gz IAVVOOYVIDBKNJ-UHFFFAOYSA-N 1 0 333.388 3.281 20 5 EGBDRO CCN(Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000343293549 456512844 /nfs/dbraw/zinc/51/28/44/456512844.db2.gz GSXHXBSEXGCWDQ-GOSISDBHSA-N 1 0 339.395 3.222 20 5 EGBDRO C[C@H]1C[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CN1Cc1ccccc1 ZINC000305216377 456538622 /nfs/dbraw/zinc/53/86/22/456538622.db2.gz IXUKKKHQIJZABW-LPHOPBHVSA-N 1 0 339.439 3.390 20 5 EGBDRO CNC(=O)CC[C@H]1CCCC[N@@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000353188853 456547636 /nfs/dbraw/zinc/54/76/36/456547636.db2.gz ZTCRZPTZNCLMKN-GFCCVEGCSA-N 1 0 339.823 3.129 20 5 EGBDRO CC(C)(C)CC[NH+]1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000298844503 456552828 /nfs/dbraw/zinc/55/28/28/456552828.db2.gz IYMIAAXWMDCAKI-UHFFFAOYSA-N 1 0 335.448 3.027 20 5 EGBDRO CC[NH+](CC)[C@H](CNC(=O)c1csc([N+](=O)[O-])c1)c1ccco1 ZINC000299310932 456654249 /nfs/dbraw/zinc/65/42/49/456654249.db2.gz BPIORPIIJPAHAQ-GFCCVEGCSA-N 1 0 337.401 3.062 20 5 EGBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000323687779 456655264 /nfs/dbraw/zinc/65/52/64/456655264.db2.gz IMPJEQVZBXVTKB-GXSJLCMTSA-N 1 0 330.310 3.047 20 5 EGBDRO CCS[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000348467192 456701335 /nfs/dbraw/zinc/70/13/35/456701335.db2.gz HKJNJRITVMTXCA-UKRRQHHQSA-N 1 0 337.445 3.106 20 5 EGBDRO CCS[C@@H]1CCC[C@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000348468338 456701463 /nfs/dbraw/zinc/70/14/63/456701463.db2.gz JONORJFDSWAGIP-HUUCEWRRSA-N 1 0 337.445 3.187 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]C[C@H](CC(C)C)N2CCOCC2)cc1[N+](=O)[O-] ZINC000327296909 456704829 /nfs/dbraw/zinc/70/48/29/456704829.db2.gz LRGBLUCOMITATL-WMZOPIPTSA-N 1 0 349.475 3.301 20 5 EGBDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(Nc2c([N+](=O)[O-])ncn2C)cc1 ZINC000340863248 456727876 /nfs/dbraw/zinc/72/78/76/456727876.db2.gz OLBRBYSFHPIXKJ-ZDUSSCGKSA-N 1 0 329.404 3.446 20 5 EGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](Cc2nccn2C)C1 ZINC000340892715 456745055 /nfs/dbraw/zinc/74/50/55/456745055.db2.gz BTNZOCGSVDROOV-LSDHHAIUSA-N 1 0 328.416 3.344 20 5 EGBDRO C[C@H]([NH2+][C@H]1CCC[C@H]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000283419914 456777023 /nfs/dbraw/zinc/77/70/23/456777023.db2.gz GOYAGDUESTUKIX-NRUUGDAUSA-N 1 0 325.796 3.353 20 5 EGBDRO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@@H+]2CCc1ccc([N+](=O)[O-])cc1 ZINC000283688840 456824396 /nfs/dbraw/zinc/82/43/96/456824396.db2.gz INNHULYBFNKVON-MSOLQXFVSA-N 1 0 338.411 3.191 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](C[C@@H]3C[C@@H]3c3ccccc3)C2)nc1 ZINC000353712807 456867454 /nfs/dbraw/zinc/86/74/54/456867454.db2.gz QCRVWVSQZJIRLX-LZLYRXPVSA-N 1 0 338.411 3.280 20 5 EGBDRO CCN(C)c1ccc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)cn1 ZINC000338957360 456876877 /nfs/dbraw/zinc/87/68/77/456876877.db2.gz ZNESEDKCLNTFQW-UHFFFAOYSA-N 1 0 328.416 3.120 20 5 EGBDRO C[NH+](C)CCN(C/C=C/c1ccccc1[N+](=O)[O-])Cc1ccco1 ZINC000349324200 456942641 /nfs/dbraw/zinc/94/26/41/456942641.db2.gz BJBQAZDBNAACAL-VMPITWQZSA-N 1 0 329.400 3.265 20 5 EGBDRO CC[N@@H+]1C[C@@H](C)N(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C[C@H]1C ZINC000345188910 456960483 /nfs/dbraw/zinc/96/04/83/456960483.db2.gz ITWVOCDUYXYUCG-GHMZBOCLSA-N 1 0 329.347 3.115 20 5 EGBDRO COc1cccc(CN(CC[NH+](C)C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000349413213 456965291 /nfs/dbraw/zinc/96/52/91/456965291.db2.gz DFKURVBHSOFLBM-UHFFFAOYSA-N 1 0 343.427 3.167 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000353922144 456966548 /nfs/dbraw/zinc/96/65/48/456966548.db2.gz OLEAUNPCYBVEHA-DYVFJYSZSA-N 1 0 346.431 3.248 20 5 EGBDRO COc1cc(C[N@@H+]2CC[C@H]2Cc2ccccc2)c([N+](=O)[O-])cc1OC ZINC000353998607 456996649 /nfs/dbraw/zinc/99/66/49/456996649.db2.gz WOFWADSBEUPJOO-INIZCTEOSA-N 1 0 342.395 3.429 20 5 EGBDRO CC(C)c1ccc(C[NH+]2CCC(O[C@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000354007805 457004385 /nfs/dbraw/zinc/00/43/85/457004385.db2.gz ANOVUMKHQFTFBV-KRWDZBQOSA-N 1 0 348.443 3.488 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000354045728 457031540 /nfs/dbraw/zinc/03/15/40/457031540.db2.gz YTMZADSIYVJSSH-MAVJXHJTSA-N 1 0 325.368 3.156 20 5 EGBDRO CCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000354136325 457088174 /nfs/dbraw/zinc/08/81/74/457088174.db2.gz IZNMMGKDZPMGGU-GDBMZVCRSA-N 1 0 348.447 3.138 20 5 EGBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000356634363 457092855 /nfs/dbraw/zinc/09/28/55/457092855.db2.gz XVEQQXFORNZBBV-LBPRGKRZSA-N 1 0 339.461 3.167 20 5 EGBDRO CC[N@@H+]1CC[C@@H](N(C)Cc2cc(OC)c(F)cc2[N+](=O)[O-])C[C@@H]1C ZINC000330926561 457105523 /nfs/dbraw/zinc/10/55/23/457105523.db2.gz IWBFBKFXQFNPID-GXTWGEPZSA-N 1 0 339.411 3.047 20 5 EGBDRO CC(C)CCSc1ccc(C(=O)N[C@@H](C)CC[NH3+])cc1[N+](=O)[O-] ZINC000349969652 457126088 /nfs/dbraw/zinc/12/60/88/457126088.db2.gz WPRGZMOZRGXQMS-LBPRGKRZSA-N 1 0 339.461 3.200 20 5 EGBDRO Cc1ccc([C@@H](C)NC(=O)c2ccccc2C[NH+](C)C)cc1[N+](=O)[O-] ZINC000362876848 457138456 /nfs/dbraw/zinc/13/84/56/457138456.db2.gz RHWDJKWNVZSHQO-CQSZACIVSA-N 1 0 341.411 3.456 20 5 EGBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCc3ccccc3[C@@H]2c2ccccc2)c1 ZINC000339606776 457171369 /nfs/dbraw/zinc/17/13/69/457171369.db2.gz GXQRTQDDLYMPQE-FQEVSTJZSA-N 1 0 348.406 3.439 20 5 EGBDRO C[NH+](C)[C@@]1(CNc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CCSC1 ZINC000339677548 457207427 /nfs/dbraw/zinc/20/74/27/457207427.db2.gz OCCVKZNLXIFOJN-CYBMUJFWSA-N 1 0 349.378 3.463 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](C[C@H]3CCCCC3(F)F)C2)nc1 ZINC000331581502 457211045 /nfs/dbraw/zinc/21/10/45/457211045.db2.gz XFFPEQWFVPNLJJ-OLZOCXBDSA-N 1 0 340.374 3.302 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000331731442 457241488 /nfs/dbraw/zinc/24/14/88/457241488.db2.gz PWLUENUFOXVZCY-CVEARBPZSA-N 1 0 345.443 3.299 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@H]1O ZINC000331855491 457261955 /nfs/dbraw/zinc/26/19/55/457261955.db2.gz FGEAVKAYNWYKLY-BVPBIZIASA-N 1 0 348.443 3.365 20 5 EGBDRO C[C@@H]1CCCC[C@@H]1OCC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000331872163 457266041 /nfs/dbraw/zinc/26/60/41/457266041.db2.gz HDZPVLORRSPJDK-ZBFHGGJFSA-N 1 0 336.436 3.024 20 5 EGBDRO CC[NH2+]CC1CCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000347173555 457271060 /nfs/dbraw/zinc/27/10/60/457271060.db2.gz PCGDSQXCAUIYBW-UHFFFAOYSA-N 1 0 343.374 3.018 20 5 EGBDRO CC[C@H](CC(F)(F)F)[NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000354539391 457278240 /nfs/dbraw/zinc/27/82/40/457278240.db2.gz GUBZIZZZMVBJJM-NXEZZACHSA-N 1 0 333.310 3.242 20 5 EGBDRO CC[C@@H]1[C@@H](C)CC[N@@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000360476802 457312452 /nfs/dbraw/zinc/31/24/52/457312452.db2.gz IWDQTDHBJNUBDE-GXTWGEPZSA-N 1 0 333.388 3.013 20 5 EGBDRO CC[N@@H+]1CCC[C@@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000332228287 457332326 /nfs/dbraw/zinc/33/23/26/457332326.db2.gz NMIOIWBUKFCBQV-GFCCVEGCSA-N 1 0 333.413 3.024 20 5 EGBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000360896168 457418638 /nfs/dbraw/zinc/41/86/38/457418638.db2.gz DITZFPQGKCBPRV-ZBFHGGJFSA-N 1 0 349.479 3.210 20 5 EGBDRO CCn1nccc1CN(C)c1cc(C)[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000425261477 457474056 /nfs/dbraw/zinc/47/40/56/457474056.db2.gz QIUDLZYNENLJSE-UHFFFAOYSA-N 1 0 325.372 3.304 20 5 EGBDRO CC[C@@H](NC(=O)c1ccc2c(c1)C[NH2+]C2)c1cccc([N+](=O)[O-])c1 ZINC000347565984 457512884 /nfs/dbraw/zinc/51/28/84/457512884.db2.gz WRBNSKSUIURJRP-QGZVFWFLSA-N 1 0 325.368 3.079 20 5 EGBDRO COCC(C)(C)[NH+]1CCN(C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000425352536 457513472 /nfs/dbraw/zinc/51/34/72/457513472.db2.gz OOPKAGCRSSNIID-FOWTUZBSSA-N 1 0 347.459 3.041 20 5 EGBDRO CC(C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)[NH+]1CCC(C)CC1 ZINC000357475020 457551989 /nfs/dbraw/zinc/55/19/89/457551989.db2.gz UUHLUBRRELYCNJ-QGZVFWFLSA-N 1 0 333.432 3.081 20 5 EGBDRO CC[C@@H]1CN(Cc2ccc(Br)cc2[N+](=O)[O-])CCCO1 ZINC000425447409 457557858 /nfs/dbraw/zinc/55/78/58/457557858.db2.gz RSBGCHVJMAATRV-CYBMUJFWSA-N 1 0 343.221 3.358 20 5 EGBDRO Cc1cc(N(CC[NH+](C)C)Cc2ccc(F)cc2)ncc1[N+](=O)[O-] ZINC000347648408 457573533 /nfs/dbraw/zinc/57/35/33/457573533.db2.gz ORXOWJRCSCDYGB-UHFFFAOYSA-N 1 0 332.379 3.006 20 5 EGBDRO CCc1cnccc1[C@@H](C)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000361135345 457604363 /nfs/dbraw/zinc/60/43/63/457604363.db2.gz MADZUWJEKCRJIE-CYBMUJFWSA-N 1 0 342.399 3.232 20 5 EGBDRO COC1CCN(C(C)(C)C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000361228599 457656623 /nfs/dbraw/zinc/65/66/23/457656623.db2.gz JPOLOANNYHDTOP-CQSZACIVSA-N 1 0 335.448 3.135 20 5 EGBDRO CCO[C@H]1C[C@@H]([N@H+](C)CCOc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000357802040 457695451 /nfs/dbraw/zinc/69/54/51/457695451.db2.gz LDOFTRZKEZPOOX-SJORKVTESA-N 1 0 334.416 3.253 20 5 EGBDRO c1ccc2c(c1)cc1ccccc1c2C[NH2+]Cc1nnc2n1CCOC2 ZINC000365143039 457728637 /nfs/dbraw/zinc/72/86/37/457728637.db2.gz USOREEPLWKKAFS-UHFFFAOYSA-N 1 0 344.418 3.405 20 5 EGBDRO CC[N@H+](CC1CCC1)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000361482398 457745475 /nfs/dbraw/zinc/74/54/75/457745475.db2.gz XOIGPWDRMCPKGA-GFCCVEGCSA-N 1 0 335.404 3.052 20 5 EGBDRO CC(=O)Nc1ccc(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cn1 ZINC000433082322 457753299 /nfs/dbraw/zinc/75/32/99/457753299.db2.gz KHTVIXVTTAXVPU-QGZVFWFLSA-N 1 0 340.383 3.115 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](C)C[C@@H](C)C1 ZINC000443648930 457796539 /nfs/dbraw/zinc/79/65/39/457796539.db2.gz GBDURROLYXWCQU-UONOGXRCSA-N 1 0 349.431 3.300 20 5 EGBDRO CC(C)(C)N1C[C@@H]([NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1=O ZINC000433281089 457797616 /nfs/dbraw/zinc/79/76/16/457797616.db2.gz AQKLBRYLGHPDEQ-BLLLJJGKSA-N 1 0 345.443 3.306 20 5 EGBDRO COc1ccc(CC[C@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)cc1O ZINC000426356415 457811122 /nfs/dbraw/zinc/81/11/22/457811122.db2.gz JXGWMNWYMSQREJ-AWEZNQCLSA-N 1 0 344.411 3.462 20 5 EGBDRO O=C(CC[N@@H+]1CCC[C@@H]1c1cccnc1)Nc1ccccc1[N+](=O)[O-] ZINC000411414188 457880020 /nfs/dbraw/zinc/88/00/20/457880020.db2.gz HSJGWWDEVYTJDO-MRXNPFEDSA-N 1 0 340.383 3.156 20 5 EGBDRO CC[C@H]1CCCC[C@@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000411557537 457918987 /nfs/dbraw/zinc/91/89/87/457918987.db2.gz ZNPQBCUJEWWRCO-ZFWWWQNUSA-N 1 0 349.431 3.490 20 5 EGBDRO CCO[C@H]1C[C@@H](N(C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1(C)C ZINC000444635286 457924127 /nfs/dbraw/zinc/92/41/27/457924127.db2.gz AGQDOZGDKYFIFP-CABCVRRESA-N 1 0 332.404 3.107 20 5 EGBDRO COCC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCC[C@@H]1C ZINC000411628209 457932323 /nfs/dbraw/zinc/93/23/23/457932323.db2.gz RJKFIESJJUAALP-GOEBONIOSA-N 1 0 349.431 3.060 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(CN3CC[C@@H]4[NH2+]CC[C@H]4C3)o2)cc1 ZINC000427134562 457946768 /nfs/dbraw/zinc/94/67/68/457946768.db2.gz ZKYQRJFJKXLASA-YOEHRIQHSA-N 1 0 327.384 3.039 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C(C)C)C1 ZINC000444771919 457973830 /nfs/dbraw/zinc/97/38/30/457973830.db2.gz SDHQZNWMDIGPSE-ZIAGYGMSSA-N 1 0 349.431 3.298 20 5 EGBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000427873347 458046755 /nfs/dbraw/zinc/04/67/55/458046755.db2.gz KSMUQOAYLVNGJS-CQSZACIVSA-N 1 0 335.448 3.370 20 5 EGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCn2ccnc2C1 ZINC000427884973 458047136 /nfs/dbraw/zinc/04/71/36/458047136.db2.gz VDVIMYZGIZWOBX-ZIAGYGMSSA-N 1 0 346.456 3.267 20 5 EGBDRO CCc1cnccc1[C@@H](C)NCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000358520490 458052173 /nfs/dbraw/zinc/05/21/73/458052173.db2.gz VFKXDROUISHUNX-GFCCVEGCSA-N 1 0 343.383 3.270 20 5 EGBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000358650218 458127379 /nfs/dbraw/zinc/12/73/79/458127379.db2.gz NPAIMLYVWNYIRL-RBSFLKMASA-N 1 0 331.416 3.072 20 5 EGBDRO CC[C@]1(C)CCC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000362391566 458148214 /nfs/dbraw/zinc/14/82/14/458148214.db2.gz QFRMYAUQGAMEDA-SJLPKXTDSA-N 1 0 331.416 3.212 20 5 EGBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@]2(CO)C[C@@H]2c2ccc(F)cc2)cs1 ZINC000428545823 458166413 /nfs/dbraw/zinc/16/64/13/458166413.db2.gz LCXGBVCACAYOCR-ZBFHGGJFSA-N 1 0 336.388 3.051 20 5 EGBDRO CCN(Cc1cc([N+](=O)[O-])ccc1OC(C)C)[C@H]1CCC[NH2+]CC1 ZINC000435615728 458172191 /nfs/dbraw/zinc/17/21/91/458172191.db2.gz IUHIWHATLUWTAW-INIZCTEOSA-N 1 0 335.448 3.346 20 5 EGBDRO COc1cc(C[N@@H+]2CCC[C@](C)(OC)CC2)c([N+](=O)[O-])cc1F ZINC000376111642 458200677 /nfs/dbraw/zinc/20/06/77/458200677.db2.gz IVZOCYCCLQGBAT-INIZCTEOSA-N 1 0 326.368 3.134 20 5 EGBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000458882573 458204578 /nfs/dbraw/zinc/20/45/78/458204578.db2.gz AZLRSMNKIDKIQR-ZQIUZPCESA-N 1 0 348.447 3.170 20 5 EGBDRO CCOCCC[N@@H+]1CC[C@H](Nc2cc(C)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000447080123 458262660 /nfs/dbraw/zinc/26/26/60/458262660.db2.gz YZKKAKORUMTFNJ-CVEARBPZSA-N 1 0 335.448 3.452 20 5 EGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCOc2ccccc2F)n1 ZINC000447512869 458301724 /nfs/dbraw/zinc/30/17/24/458301724.db2.gz QZFAXGCXZVTCIM-LSDHHAIUSA-N 1 0 348.378 3.083 20 5 EGBDRO COc1ccccc1CC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447509984 458301775 /nfs/dbraw/zinc/30/17/75/458301775.db2.gz OCPGHKLUVLKXGV-HZPDHXFCSA-N 1 0 344.415 3.116 20 5 EGBDRO CN(C)c1ccccc1C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447587627 458317412 /nfs/dbraw/zinc/31/74/12/458317412.db2.gz ROBZQLYJFLHJRD-WBVHZDCISA-N 1 0 343.431 3.131 20 5 EGBDRO Cc1cccc(C[C@H](CO)[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000447599785 458319278 /nfs/dbraw/zinc/31/92/78/458319278.db2.gz YREGHTKJMFDXES-YLJYHZDGSA-N 1 0 340.423 3.474 20 5 EGBDRO CC[C@H]1CCC[C@H]1[NH2+]CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000429775412 458369633 /nfs/dbraw/zinc/36/96/33/458369633.db2.gz WYZBXAUUQLJBST-GXTWGEPZSA-N 1 0 335.404 3.100 20 5 EGBDRO CCC[N@H+](CC(N)=O)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000430140853 458409064 /nfs/dbraw/zinc/40/90/64/458409064.db2.gz VJHIBZYLPXGJEC-UHFFFAOYSA-N 1 0 333.413 3.021 20 5 EGBDRO CCO[C@H]1C[C@@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2OC)C12CCC2 ZINC000430213989 458422791 /nfs/dbraw/zinc/42/27/91/458422791.db2.gz DINRUMVZBPRJNF-SJORKVTESA-N 1 0 334.416 3.383 20 5 EGBDRO CCO[C@H]1C[C@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2OC)C12CCC2 ZINC000430213988 458422833 /nfs/dbraw/zinc/42/28/33/458422833.db2.gz DINRUMVZBPRJNF-IRXDYDNUSA-N 1 0 334.416 3.383 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1CN1CCC[N@@H+](C2CCCC2)CC1 ZINC000430219312 458423360 /nfs/dbraw/zinc/42/33/60/458423360.db2.gz NGNZRLCXYFLNNB-UHFFFAOYSA-N 1 0 333.432 3.054 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1CN[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000430220462 458424196 /nfs/dbraw/zinc/42/41/96/458424196.db2.gz QDPCSQIURGGXOU-ZBFHGGJFSA-N 1 0 347.459 3.346 20 5 EGBDRO C[C@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1nc2c(s1)CCC2 ZINC000459634924 458432335 /nfs/dbraw/zinc/43/23/35/458432335.db2.gz NWTMJOOYUJNMOK-NSHDSACASA-N 1 0 333.413 3.270 20 5 EGBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]C[C@@H]3CCOc4ccccc43)nc2c1 ZINC000373237347 458440042 /nfs/dbraw/zinc/44/00/42/458440042.db2.gz QAYJFPXKOUBLAD-LBPRGKRZSA-N 1 0 338.367 3.127 20 5 EGBDRO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)[C@H]1C ZINC000470149750 458615899 /nfs/dbraw/zinc/61/58/99/458615899.db2.gz CRSXRKLGXZCIHU-BLLLJJGKSA-N 1 0 344.367 3.238 20 5 EGBDRO COC(=O)[C@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[C@H]1C ZINC000470147071 458615985 /nfs/dbraw/zinc/61/59/85/458615985.db2.gz CEEXRMXWVOSTFX-LRDDRELGSA-N 1 0 344.367 3.238 20 5 EGBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H]2CCCC[C@H]2OC(F)F)cc1 ZINC000502578408 458660833 /nfs/dbraw/zinc/66/08/33/458660833.db2.gz JDJUQXSDSBMEDX-ZIAGYGMSSA-N 1 0 330.331 3.114 20 5 EGBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(c2ccnc3c2cccc3[N+](=O)[O-])C[C@@H](C)C1 ZINC000432146984 458689961 /nfs/dbraw/zinc/68/99/61/458689961.db2.gz DOGNTBOLOVPUFU-GLJUWKHASA-N 1 0 340.427 3.310 20 5 EGBDRO CC[C@@H](Cc1ccc(C)cc1)[N@H+](CC)CCn1cc([N+](=O)[O-])cn1 ZINC000472249521 458777649 /nfs/dbraw/zinc/77/76/49/458777649.db2.gz JNQNKHBLNMZIJH-KRWDZBQOSA-N 1 0 330.432 3.443 20 5 EGBDRO C[C@@H]1C[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C(C)(C)C1 ZINC000472288477 458781226 /nfs/dbraw/zinc/78/12/26/458781226.db2.gz VZUNDVXFDDBPPS-JTQLQIEISA-N 1 0 325.796 3.307 20 5 EGBDRO CC(C)c1ccc(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000473574706 458835840 /nfs/dbraw/zinc/83/58/40/458835840.db2.gz YCUAKONYZFKHEX-OAHLLOKOSA-N 1 0 345.443 3.465 20 5 EGBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000519047232 458910749 /nfs/dbraw/zinc/91/07/49/458910749.db2.gz SAKPGYMYBQHBEO-FZKCQIBNSA-N 1 0 347.459 3.181 20 5 EGBDRO C[C@H](C[C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1)NC(=O)OC(C)(C)C ZINC000495752591 458942088 /nfs/dbraw/zinc/94/20/88/458942088.db2.gz JBAPEJYLBWVCFE-CHWSQXEVSA-N 1 0 337.420 3.376 20 5 EGBDRO C[C@@H](NC(=O)C1C[NH+](C2CCCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000457467437 458966815 /nfs/dbraw/zinc/96/68/15/458966815.db2.gz SSIZRFYCINHFGM-CYBMUJFWSA-N 1 0 331.416 3.037 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCN(Cc3cc4ccccc4o3)CC2)cn1 ZINC000531757332 458973427 /nfs/dbraw/zinc/97/34/27/458973427.db2.gz JETUABXHFVFKHB-UHFFFAOYSA-N 1 0 338.367 3.058 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCC[C@@H](C(=O)N(C)C)C1 ZINC000531967167 459009660 /nfs/dbraw/zinc/00/96/60/459009660.db2.gz CNKBDQDZLRMJCY-RRFJBIMHSA-N 1 0 333.432 3.201 20 5 EGBDRO O=[N+]([O-])c1ccn(CCS[C@H]2CCC[N@H+](Cc3ccccc3)C2)n1 ZINC000567110599 459049233 /nfs/dbraw/zinc/04/92/33/459049233.db2.gz OEDRWJNDRVTMOD-INIZCTEOSA-N 1 0 346.456 3.189 20 5 EGBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000557541954 459083449 /nfs/dbraw/zinc/08/34/49/459083449.db2.gz YUHXSDLIJYYKFX-CQSZACIVSA-N 1 0 349.431 3.222 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)Nc2c(F)cccc2F)cc1[N+](=O)[O-] ZINC000557585442 459088219 /nfs/dbraw/zinc/08/82/19/459088219.db2.gz NWCTUGQJNPCCJW-LLVKDONJSA-N 1 0 349.337 3.471 20 5 EGBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CCC[C@@H](CCO)C2)c1 ZINC000590158474 459095312 /nfs/dbraw/zinc/09/53/12/459095312.db2.gz JSAZBIRWMYTMFE-NSHDSACASA-N 1 0 332.322 3.208 20 5 EGBDRO O=[N+]([O-])c1cc2c(nc1N1CCC[C@H](C3CC[NH2+]CC3)C1)CCCC2 ZINC000594693898 459132728 /nfs/dbraw/zinc/13/27/28/459132728.db2.gz XZEDOONBGWQCJI-INIZCTEOSA-N 1 0 344.459 3.085 20 5 EGBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]Cc3cccc4c[nH]nc43)c2c1 ZINC000558125676 459133703 /nfs/dbraw/zinc/13/37/03/459133703.db2.gz JASCQFLNZOSQGJ-UHFFFAOYSA-N 1 0 335.367 3.285 20 5 EGBDRO C[C@@H](CC(N)=O)[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000479528073 459146930 /nfs/dbraw/zinc/14/69/30/459146930.db2.gz MUJDOKUVNGNXKQ-QWRGUYRKSA-N 1 0 333.413 3.238 20 5 EGBDRO CC(C)(CO)[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000558475060 459164366 /nfs/dbraw/zinc/16/43/66/459164366.db2.gz ACOKTARXUKOCEM-SFHVURJKSA-N 1 0 344.411 3.323 20 5 EGBDRO COC[C@H](C)Oc1ccc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000594938895 459184621 /nfs/dbraw/zinc/18/46/21/459184621.db2.gz TYAUKYCFBXTZOM-HNNXBMFYSA-N 1 0 344.411 3.341 20 5 EGBDRO Cc1c([C@H](C)[NH2+]C[C@@H](CC(C)C)N2CCOCC2)cccc1[N+](=O)[O-] ZINC000480272010 459190431 /nfs/dbraw/zinc/19/04/31/459190431.db2.gz BFWHKCLNSSJQDK-DLBZAZTESA-N 1 0 349.475 3.301 20 5 EGBDRO CC(C)c1ccc(C[NH2+][C@@H]2CCC[C@@H]([S@](C)=O)C2)cc1[N+](=O)[O-] ZINC000594961952 459195029 /nfs/dbraw/zinc/19/50/29/459195029.db2.gz BLBJLWYNNQMMHT-WBPRFABPSA-N 1 0 338.473 3.498 20 5 EGBDRO CCC(CC)[C@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)N1CCOCC1 ZINC000480524278 459201790 /nfs/dbraw/zinc/20/17/90/459201790.db2.gz JRAAEPXHBFPJHW-KXBFYZLASA-N 1 0 349.475 3.382 20 5 EGBDRO CCC[N@@H+](CC(=O)Nc1ccc(OCC)cc1[N+](=O)[O-])CC(C)C ZINC000533249095 459205968 /nfs/dbraw/zinc/20/59/68/459205968.db2.gz LCRLJANBWMDYJE-UHFFFAOYSA-N 1 0 337.420 3.300 20 5 EGBDRO CCO[C@H]1C[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C12CCC2 ZINC000590756296 459206676 /nfs/dbraw/zinc/20/66/76/459206676.db2.gz YCNOMNCORGAPGU-GJZGRUSLSA-N 1 0 331.372 3.173 20 5 EGBDRO CNC(=O)CC1(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)CCCCC1 ZINC000594997351 459209983 /nfs/dbraw/zinc/20/99/83/459209983.db2.gz WBDFDUNDIBJCSA-UHFFFAOYSA-N 1 0 333.432 3.079 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCc1ccc2c(c1)OCO2 ZINC000595003991 459211848 /nfs/dbraw/zinc/21/18/48/459211848.db2.gz MHYJMSKBLQWICA-GFCCVEGCSA-N 1 0 344.367 3.225 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](C)Cc1c(C)noc1C ZINC000595007053 459212595 /nfs/dbraw/zinc/21/25/95/459212595.db2.gz FJTIHYBBNOCVSU-MNOVXSKESA-N 1 0 333.388 3.490 20 5 EGBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCc2ccccc2CC1 ZINC000533301337 459216741 /nfs/dbraw/zinc/21/67/41/459216741.db2.gz QVQGZHQGTPBKNP-CQSZACIVSA-N 1 0 339.395 3.023 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](C)COCC(F)(F)F ZINC000595018037 459216976 /nfs/dbraw/zinc/21/69/76/459216976.db2.gz ZXNAXPLXUOVAQB-UWVGGRQHSA-N 1 0 336.310 3.221 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](C)[C@H](O)Cc1ccccc1 ZINC000595022541 459219958 /nfs/dbraw/zinc/21/99/58/459219958.db2.gz MPPCNTVKDNTOHC-PMUMKWKESA-N 1 0 344.411 3.246 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@]1(C)CCO[C@@H]1C1CC1 ZINC000595032910 459223061 /nfs/dbraw/zinc/22/30/61/459223061.db2.gz MUNHKFXCXYHUNJ-JBBXEZCESA-N 1 0 334.416 3.459 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@]1(C)CCO[C@@H]1C1CC1 ZINC000595032911 459223552 /nfs/dbraw/zinc/22/35/52/459223552.db2.gz MUNHKFXCXYHUNJ-RZAIGCCYSA-N 1 0 334.416 3.459 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@]1(C)CCO[C@H]1C1CC1 ZINC000595032912 459223823 /nfs/dbraw/zinc/22/38/23/459223823.db2.gz MUNHKFXCXYHUNJ-UYHISHBKSA-N 1 0 334.416 3.459 20 5 EGBDRO CCc1ccc(C(=O)N2CCC[C@@H](C)[C@H]2CCC[NH3+])cc1[N+](=O)[O-] ZINC000595258537 459264204 /nfs/dbraw/zinc/26/42/04/459264204.db2.gz QAAXHQCTOOUNNL-CZUORRHYSA-N 1 0 333.432 3.137 20 5 EGBDRO O=[N+]([O-])c1cc(F)ccc1CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000595386660 459288563 /nfs/dbraw/zinc/28/85/63/459288563.db2.gz KCQVFWHXQZEVEJ-SUMWQHHRSA-N 1 0 333.407 3.183 20 5 EGBDRO COc1ccccc1C[C@@H]([NH2+]Cc1onc(C)c1[N+](=O)[O-])C(C)C ZINC000595433690 459300432 /nfs/dbraw/zinc/30/04/32/459300432.db2.gz ZKQLIGXZKPZEKB-CQSZACIVSA-N 1 0 333.388 3.257 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](C2CCC2)C1 ZINC000591061928 459302715 /nfs/dbraw/zinc/30/27/15/459302715.db2.gz OQFYXUHYWQEGEP-OAHLLOKOSA-N 1 0 331.416 3.354 20 5 EGBDRO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C3CCC3)C2)c([N+](=O)[O-])c1 ZINC000591061950 459302907 /nfs/dbraw/zinc/30/29/07/459302907.db2.gz PEFZSGGNSHVLFW-JSGCOSHPSA-N 1 0 347.415 3.052 20 5 EGBDRO CC(C)(C)[N@@H+]1CCCN(c2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000591143045 459322226 /nfs/dbraw/zinc/32/22/26/459322226.db2.gz NHVLKGWPISNITG-UHFFFAOYSA-N 1 0 328.416 3.454 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000591298970 459349751 /nfs/dbraw/zinc/34/97/51/459349751.db2.gz QVTANEYOLGHINH-GJZGRUSLSA-N 1 0 346.431 3.147 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCOC[C@H]1CCOC1)CCCC2 ZINC000591347962 459358531 /nfs/dbraw/zinc/35/85/31/459358531.db2.gz LKIZVNBZZROPKA-KSSFIOAISA-N 1 0 334.416 3.005 20 5 EGBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H]1C1CCCCC1 ZINC000541282774 459439676 /nfs/dbraw/zinc/43/96/76/459439676.db2.gz UUQJLODSYCZNRQ-SJORKVTESA-N 1 0 348.443 3.379 20 5 EGBDRO O=[N+]([O-])c1cccc(OCC[NH+]2CCC([C@@H]3CCCCO3)CC2)c1 ZINC000595785271 459440019 /nfs/dbraw/zinc/44/00/19/459440019.db2.gz CWPOVMLBPGMDIZ-SFHVURJKSA-N 1 0 334.416 3.255 20 5 EGBDRO O=[N+]([O-])c1cccc(Br)c1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000596082860 459513650 /nfs/dbraw/zinc/51/36/50/459513650.db2.gz OLDQNUPJRFZWIL-GHMZBOCLSA-N 1 0 340.221 3.396 20 5 EGBDRO CC(C)CC[C@H]1CCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000486798844 459521382 /nfs/dbraw/zinc/52/13/82/459521382.db2.gz ZADWJPWXJVXGAN-WBVHZDCISA-N 1 0 336.432 3.235 20 5 EGBDRO CCC[C@H](C)[C@H]1CCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000486790302 459521969 /nfs/dbraw/zinc/52/19/69/459521969.db2.gz WKUYFSSSEHSNNS-QILLFSRXSA-N 1 0 336.432 3.235 20 5 EGBDRO O=c1[nH]ccc(NC[C@H]2CCC[N@@H+]2CC2CCCCC2)c1[N+](=O)[O-] ZINC000596120140 459527952 /nfs/dbraw/zinc/52/79/52/459527952.db2.gz GBMXYDLOBYLLPG-CQSZACIVSA-N 1 0 334.420 3.152 20 5 EGBDRO CC(C)C[C@@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000542204979 459532929 /nfs/dbraw/zinc/53/29/29/459532929.db2.gz JMUBWMNIQHYOEI-JKSUJKDBSA-N 1 0 336.432 3.235 20 5 EGBDRO CCOc1cc(C[N@@H+]2CCC[C@H]2[C@H]2CCCOC2)ccc1[N+](=O)[O-] ZINC000592134881 459532996 /nfs/dbraw/zinc/53/29/96/459532996.db2.gz SFAIMBXVKATJEG-HOTGVXAUSA-N 1 0 334.416 3.385 20 5 EGBDRO CC(C)[C@H]1CCC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000542280661 459544029 /nfs/dbraw/zinc/54/40/29/459544029.db2.gz MABYZXWXARILKN-HOTGVXAUSA-N 1 0 336.432 3.093 20 5 EGBDRO C[C@@H](C(=O)NCCC[NH+]1CCCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000562387220 459551147 /nfs/dbraw/zinc/55/11/47/459551147.db2.gz GQZOEBUHGOERBV-OAHLLOKOSA-N 1 0 333.432 3.081 20 5 EGBDRO CC(C)([NH3+])CNC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000592303332 459573270 /nfs/dbraw/zinc/57/32/70/459573270.db2.gz RGLATKKIGIGPNU-UHFFFAOYSA-N 1 0 337.445 3.097 20 5 EGBDRO C[N@@H+]1CCN(c2ncnc3sc([N+](=O)[O-])cc32)CC12CCCCC2 ZINC000596250645 459575250 /nfs/dbraw/zinc/57/52/50/459575250.db2.gz JXPLPUQOWIOBDU-UHFFFAOYSA-N 1 0 347.444 3.054 20 5 EGBDRO CC[C@@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC[C@H]1[NH3+] ZINC000592332374 459575743 /nfs/dbraw/zinc/57/57/43/459575743.db2.gz XTASAMWYFFFHHY-ZWNOBZJWSA-N 1 0 333.413 3.009 20 5 EGBDRO Cc1ccc(-c2nn(C)cc2C[NH2+]Cc2cccc([N+](=O)[O-])c2C)o1 ZINC000592367490 459580650 /nfs/dbraw/zinc/58/06/50/459580650.db2.gz YJSPPFBMHAKUTJ-UHFFFAOYSA-N 1 0 340.383 3.495 20 5 EGBDRO CC(C)(C)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000596337439 459600686 /nfs/dbraw/zinc/60/06/86/459600686.db2.gz XPTFZIUHKSFWBF-NSHDSACASA-N 1 0 329.347 3.481 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1C[C@H](C)[C@H]2CCCC[C@H]21 ZINC000542980401 459615518 /nfs/dbraw/zinc/61/55/18/459615518.db2.gz RRZLVRGCCDGCJD-RRFJBIMHSA-N 1 0 331.416 3.352 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@]1(C)CCO[C@H]1C1CC1 ZINC000543237261 459637212 /nfs/dbraw/zinc/63/72/12/459637212.db2.gz WHEAJZXNFFTZBI-ROUUACIJSA-N 1 0 334.416 3.429 20 5 EGBDRO Cc1cc(C)cc(NC(=O)CN(C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000562749164 459640443 /nfs/dbraw/zinc/64/04/43/459640443.db2.gz ITJUGHSRSBDXIV-UHFFFAOYSA-N 1 0 341.411 3.325 20 5 EGBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CCC3(CCO3)CC2)c1 ZINC000573223750 459645460 /nfs/dbraw/zinc/64/54/60/459645460.db2.gz BTJWDWVOPDPBBY-UHFFFAOYSA-N 1 0 330.306 3.369 20 5 EGBDRO Cc1c(NC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000573384357 459668391 /nfs/dbraw/zinc/66/83/91/459668391.db2.gz XCNKBWPKVMDIEA-MRXNPFEDSA-N 1 0 339.395 3.364 20 5 EGBDRO COCc1cc([N+](=O)[O-])ccc1NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000596569963 459680184 /nfs/dbraw/zinc/68/01/84/459680184.db2.gz DWEYCMCDJPPSLG-OAHLLOKOSA-N 1 0 333.432 3.275 20 5 EGBDRO CC(=O)c1ccc(NC[C@H]2CCC[N@H+](CC3CC3)C2)c([N+](=O)[O-])c1 ZINC000596570393 459680219 /nfs/dbraw/zinc/68/02/19/459680219.db2.gz JRHUKHGFMQTKMX-OAHLLOKOSA-N 1 0 331.416 3.331 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1CNCC[N@@H+]1CCCC[C@H]1CC ZINC000500918487 459702352 /nfs/dbraw/zinc/70/23/52/459702352.db2.gz MQXACXIYLJMZFK-MRXNPFEDSA-N 1 0 335.448 3.348 20 5 EGBDRO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@H](C(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000544186181 459736492 /nfs/dbraw/zinc/73/64/92/459736492.db2.gz QPSSQIATMSRZRG-ZDUSSCGKSA-N 1 0 349.431 3.300 20 5 EGBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](C(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000544193729 459739086 /nfs/dbraw/zinc/73/90/86/459739086.db2.gz YVYSIQTXULWEDE-CYBMUJFWSA-N 1 0 349.431 3.300 20 5 EGBDRO CC[C@@H]1C[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)[C@H](CC)CO1 ZINC000593059633 459760558 /nfs/dbraw/zinc/76/05/58/459760558.db2.gz RLZCNYJDDMEKOX-HUUCEWRRSA-N 1 0 349.431 3.121 20 5 EGBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000574454662 459820577 /nfs/dbraw/zinc/82/05/77/459820577.db2.gz IQMZDXNCPMVFQI-CQSZACIVSA-N 1 0 347.459 3.061 20 5 EGBDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000598260991 459842198 /nfs/dbraw/zinc/84/21/98/459842198.db2.gz BXPUPMYQKLIABV-OAHLLOKOSA-N 1 0 347.459 3.109 20 5 EGBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000602110882 459844138 /nfs/dbraw/zinc/84/41/38/459844138.db2.gz LVPYHISNTBWJQJ-SFHVURJKSA-N 1 0 345.443 3.051 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC000602331333 459896340 /nfs/dbraw/zinc/89/63/40/459896340.db2.gz ZVFVHRLYXJMADT-UHFFFAOYSA-N 1 0 335.404 3.052 20 5 EGBDRO CC[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)[C@@H](C)C1 ZINC000588068484 459908591 /nfs/dbraw/zinc/90/85/91/459908591.db2.gz PFWNTPRGUZIKIJ-AWEZNQCLSA-N 1 0 326.400 3.187 20 5 EGBDRO Cc1cc(C[NH+](C)C)cc(NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])c1 ZINC000593559709 459922277 /nfs/dbraw/zinc/92/22/77/459922277.db2.gz BMKCSVOAWDBZMC-UHFFFAOYSA-N 1 0 345.374 3.285 20 5 EGBDRO COc1cc2c(c(C[NH2+]CCc3ccc([N+](=O)[O-])cc3)c1)O[C@H](C)C2 ZINC000609222421 459925802 /nfs/dbraw/zinc/92/58/02/459925802.db2.gz IASBLBNKIWPWIT-CYBMUJFWSA-N 1 0 342.395 3.259 20 5 EGBDRO CO[C@@H](C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C)C1CCOCC1 ZINC000602440634 459938698 /nfs/dbraw/zinc/93/86/98/459938698.db2.gz QQEFXIVQPQELRY-SFHVURJKSA-N 1 0 336.432 3.247 20 5 EGBDRO Cc1ccc2c(c1)[C@@H]([NH2+]Cc1cc3c(cc1[N+](=O)[O-])OCCO3)CC2 ZINC000593676373 459946864 /nfs/dbraw/zinc/94/68/64/459946864.db2.gz GKKNLIRCDJPUFI-INIZCTEOSA-N 1 0 340.379 3.452 20 5 EGBDRO COC1CC[NH+](C2(CNc3ccsc3[N+](=O)[O-])CCCC2)CC1 ZINC000609350771 459950141 /nfs/dbraw/zinc/95/01/41/459950141.db2.gz RDKDEEZFMFKIHJ-UHFFFAOYSA-N 1 0 339.461 3.492 20 5 EGBDRO COc1cccc(N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000613884243 459959805 /nfs/dbraw/zinc/95/98/05/459959805.db2.gz WHBLZTOIAVPLMP-INIZCTEOSA-N 1 0 341.411 3.314 20 5 EGBDRO C[C@@H]1CCC[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)[C@H]1C ZINC000602504466 459972840 /nfs/dbraw/zinc/97/28/40/459972840.db2.gz QNFGGKMWTNCBES-KEYYUXOJSA-N 1 0 332.448 3.373 20 5 EGBDRO C[C@@H](C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)N(C)c1ccccc1 ZINC000602516322 459977980 /nfs/dbraw/zinc/97/79/80/459977980.db2.gz YSGAWLCNHNGWPA-ZDUSSCGKSA-N 1 0 340.383 3.351 20 5 EGBDRO CC(C)Cc1ccc([C@H](CNc2ncc([N+](=O)[O-])cn2)[NH+](C)C)cc1 ZINC000588848923 459991821 /nfs/dbraw/zinc/99/18/21/459991821.db2.gz HQEIZWKHKFBQBX-KRWDZBQOSA-N 1 0 343.431 3.298 20 5 EGBDRO C[C@@H]1CC([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)C[C@@H](C)O1 ZINC000602579968 460007841 /nfs/dbraw/zinc/00/78/41/460007841.db2.gz VMCGFWJZFZVXIL-HTQZYQBOSA-N 1 0 349.250 3.464 20 5 EGBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000609876834 460032887 /nfs/dbraw/zinc/03/28/87/460032887.db2.gz GTSCLHAQBXTCTI-ZDUSSCGKSA-N 1 0 347.440 3.414 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2csc(N3CC[C@H]([NH+]4CCCC4)C3)n2)cc1 ZINC000575985097 460046561 /nfs/dbraw/zinc/04/65/61/460046561.db2.gz BVDFIEXLTUZGNH-HNNXBMFYSA-N 1 0 344.440 3.393 20 5 EGBDRO CC(C)C[C@H]1OCCC[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000614227417 460057085 /nfs/dbraw/zinc/05/70/85/460057085.db2.gz RBRDCMZOGCKLDH-CZUORRHYSA-N 1 0 333.388 3.419 20 5 EGBDRO C[C@@H]1C[C@@H](C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)[C@H](C)O1 ZINC000602690781 460067100 /nfs/dbraw/zinc/06/71/00/460067100.db2.gz OLXRWBDXTSIWLW-VGMNWLOBSA-N 1 0 349.250 3.322 20 5 EGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]CCCC1(O)CCC1 ZINC000602696131 460071241 /nfs/dbraw/zinc/07/12/41/460071241.db2.gz DSEKFAJJAMLHEX-UHFFFAOYSA-N 1 0 332.322 3.398 20 5 EGBDRO Cc1ccc(NC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000594059843 460081389 /nfs/dbraw/zinc/08/13/89/460081389.db2.gz XFIARAJHUUKSRJ-CABCVRRESA-N 1 0 332.404 3.042 20 5 EGBDRO CCOC(=O)c1[nH]c(C)c(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1C ZINC000598962221 460105129 /nfs/dbraw/zinc/10/51/29/460105129.db2.gz FETILOCWVDNGMI-UHFFFAOYSA-N 1 0 345.399 3.049 20 5 EGBDRO COc1cccc([C@H](C[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)OC)c1 ZINC000598988423 460118563 /nfs/dbraw/zinc/11/85/63/460118563.db2.gz QLOUNSDIGQUIEY-SFHVURJKSA-N 1 0 346.383 3.089 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(c2ccccc2F)CC1 ZINC000602779486 460119816 /nfs/dbraw/zinc/11/98/16/460119816.db2.gz HMRLENIQWXKFRI-UHFFFAOYSA-N 1 0 332.379 3.118 20 5 EGBDRO CN(c1ccccc1)c1ccc(C[NH2+]C[C@H]2C[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000599007692 460125542 /nfs/dbraw/zinc/12/55/42/460125542.db2.gz TZHYFWHEMLIBOD-WOVMCDHWSA-N 1 0 341.411 3.223 20 5 EGBDRO Cc1cccc([C@H](C)[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1 ZINC000610367428 460136272 /nfs/dbraw/zinc/13/62/72/460136272.db2.gz GJNANBAVQIXEJA-HNNXBMFYSA-N 1 0 326.400 3.181 20 5 EGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCN1CC(F)F ZINC000599064660 460147113 /nfs/dbraw/zinc/14/71/13/460147113.db2.gz DIYGTSFJPRMLRH-UKRRQHHQSA-N 1 0 341.402 3.235 20 5 EGBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000589901849 460158138 /nfs/dbraw/zinc/15/81/38/460158138.db2.gz YSLOGSBYRXRQOE-AWEZNQCLSA-N 1 0 348.447 3.004 20 5 EGBDRO Cc1ncc([C@H](C)[NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)s1 ZINC000602956938 460201483 /nfs/dbraw/zinc/20/14/83/460201483.db2.gz QEGSRJVAWMFTGR-NSHDSACASA-N 1 0 348.428 3.348 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)ccc1NC1CC[NH+](C2CCOCC2)CC1 ZINC000603407150 460299718 /nfs/dbraw/zinc/29/97/18/460299718.db2.gz ANJDHKVXBBKOJO-UHFFFAOYSA-N 1 0 339.823 3.304 20 5 EGBDRO COc1ccc([C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2OC)C2CC2)cn1 ZINC000599701659 460315543 /nfs/dbraw/zinc/31/55/43/460315543.db2.gz BSLQWJFIGUXTNQ-SFHVURJKSA-N 1 0 343.383 3.248 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3CCC[C@@H](CCO)C3)o2)c1 ZINC000611268918 460322332 /nfs/dbraw/zinc/32/23/32/460322332.db2.gz FNBCFWYLBVFBOJ-AWEZNQCLSA-N 1 0 330.384 3.449 20 5 EGBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCC(F)(F)C1 ZINC000611475932 460372811 /nfs/dbraw/zinc/37/28/11/460372811.db2.gz VWIQFHOPRJPBQV-JQWIXIFHSA-N 1 0 327.331 3.089 20 5 EGBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CCC(F)(F)C1 ZINC000611475891 460372944 /nfs/dbraw/zinc/37/29/44/460372944.db2.gz NWJBVRQURKBNME-JQWIXIFHSA-N 1 0 327.331 3.089 20 5 EGBDRO C[N@@H+]1CC[C@@H]2CCN(c3ccc([N+](=O)[O-])c(OC(C)(C)C)c3)[C@@H]2C1 ZINC000611510176 460383261 /nfs/dbraw/zinc/38/32/61/460383261.db2.gz CDNMZPIWBUKPTQ-CZUORRHYSA-N 1 0 333.432 3.303 20 5 EGBDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3ccc4[nH]ccc4c3)CC2)n1 ZINC000600156839 460412772 /nfs/dbraw/zinc/41/27/72/460412772.db2.gz WMOMKFAVQHBGEN-UHFFFAOYSA-N 1 0 325.372 3.110 20 5 EGBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)Nc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611708235 460435426 /nfs/dbraw/zinc/43/54/26/460435426.db2.gz LSDHCODUXWNTLN-CHWSQXEVSA-N 1 0 329.404 3.070 20 5 EGBDRO Cc1ccncc1[C@@H](C)[NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000611940116 460493758 /nfs/dbraw/zinc/49/37/58/460493758.db2.gz SLHILIRVHAYYJI-CQSZACIVSA-N 1 0 342.399 3.286 20 5 EGBDRO C[C@@H]([NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@H](O)C(F)(F)F ZINC000601151294 460733932 /nfs/dbraw/zinc/73/39/32/460733932.db2.gz VPUDJZYOTHBQTB-OTYXRUKQSA-N 1 0 344.289 3.256 20 5 EGBDRO C[C@H](NC(=O)c1c(F)cccc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000601422542 460808709 /nfs/dbraw/zinc/80/87/09/460808709.db2.gz RYHUZWWSKFSFCJ-STQMWFEESA-N 1 0 349.406 3.117 20 5 EGBDRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3cc4ccccc4c4cccnc34)C[C@H]21 ZINC000627648414 460874266 /nfs/dbraw/zinc/87/42/66/460874266.db2.gz JNNOFBCPKPKAHY-RUYXUALKSA-N 1 0 331.419 3.020 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C1CCN(c2cccnn2)CC1 ZINC000617585243 460919085 /nfs/dbraw/zinc/91/90/85/460919085.db2.gz UXUIXMJFIYNVNL-CQSZACIVSA-N 1 0 341.415 3.013 20 5 EGBDRO COc1cc(C[NH2+][C@@H]2CCO[C@H]2c2ccccc2)c([N+](=O)[O-])cc1F ZINC000191943583 533899710 /nfs/dbraw/zinc/89/97/10/533899710.db2.gz GESKKZSGHFFXEX-QAPCUYQASA-N 1 0 346.358 3.362 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181478984 534335722 /nfs/dbraw/zinc/33/57/22/534335722.db2.gz ADJZXUCKMWEURN-CABCVRRESA-N 1 0 345.443 3.286 20 5 EGBDRO O=C(C[NH2+][C@@H]1CCC[C@@H]1c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000155107183 534595181 /nfs/dbraw/zinc/59/51/81/534595181.db2.gz RBIWFQIFYLYIBA-HZPDHXFCSA-N 1 0 339.395 3.459 20 5 EGBDRO CC1([C@H]2CCC[N@H+](Cc3cc([N+](=O)[O-])ccc3Cl)C2)OCCO1 ZINC000183828129 528057694 /nfs/dbraw/zinc/05/76/94/528057694.db2.gz ZJKSLGOTROMGCN-ZDUSSCGKSA-N 1 0 340.807 3.223 20 5 EGBDRO CCOC(=O)N1CCC([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000192638876 528957816 /nfs/dbraw/zinc/95/78/16/528957816.db2.gz XHECWCMXKOUDCR-KRWDZBQOSA-N 1 0 347.415 3.183 20 5 EGBDRO COC[C@@H]1CCC[N@@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000246734897 536760108 /nfs/dbraw/zinc/76/01/08/536760108.db2.gz LQGSUIXZAAPBLQ-QWHCGFSZSA-N 1 0 346.387 3.064 20 5 EGBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccc([S@@](C)=O)cc1 ZINC000090910171 546660725 /nfs/dbraw/zinc/66/07/25/546660725.db2.gz JATGUGJZBJHPQD-NPMABZOXSA-N 1 0 332.425 3.226 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]Cc2nc3ccccc3s2)cc1 ZINC000727059801 574638643 /nfs/dbraw/zinc/63/86/43/574638643.db2.gz LDHWZZOCUBKKTA-AWEZNQCLSA-N 1 0 329.381 3.028 20 5 EGBDRO O=C(C[NH2+]Cc1cccc([N+](=O)[O-])c1)Nc1cccc2ccccc21 ZINC000732231316 575247539 /nfs/dbraw/zinc/24/75/39/575247539.db2.gz LLYOOYGVVDCQJE-UHFFFAOYSA-N 1 0 335.363 3.476 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]Cc1cccc2c1OCCO2 ZINC000733331127 575328703 /nfs/dbraw/zinc/32/87/03/575328703.db2.gz CCOIJBVYMGQWOL-DAXSKMNVSA-N 1 0 326.352 3.169 20 5 EGBDRO NC(C[NH+]1CCCCCC1)=NOCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000734834347 575563337 /nfs/dbraw/zinc/56/33/37/575563337.db2.gz JJFWRTZCBIDXEW-UHFFFAOYSA-N 1 0 340.811 3.123 20 5 EGBDRO Cc1ccc2oc(C[NH2+]C[C@@H](O)c3ccc([N+](=O)[O-])cc3)cc2c1 ZINC000740007412 576530902 /nfs/dbraw/zinc/53/09/02/576530902.db2.gz SIOYWNZFLQIMAB-QGZVFWFLSA-N 1 0 326.352 3.473 20 5 EGBDRO CC[NH+](CC)C[C@@H]1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)C1 ZINC000742425605 576782950 /nfs/dbraw/zinc/78/29/50/576782950.db2.gz NAXNVLIKDUHFOJ-LBPRGKRZSA-N 1 0 334.445 3.373 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)c1 ZINC000743331599 576805874 /nfs/dbraw/zinc/80/58/74/576805874.db2.gz SYHKIMQQWJEODB-UHFFFAOYSA-N 1 0 341.411 3.237 20 5 EGBDRO CC[N@H+](CCOc1ccccc1[N+](=O)[O-])C[C@H](O)c1ccc(C)cc1 ZINC000743866137 576817705 /nfs/dbraw/zinc/81/77/05/576817705.db2.gz HVWTWJMIUQOCTF-SFHVURJKSA-N 1 0 344.411 3.338 20 5 EGBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCC2(CCCC2)C1 ZINC000744421861 576827891 /nfs/dbraw/zinc/82/78/91/576827891.db2.gz JJBKAZOCYJKYKO-UHFFFAOYSA-N 1 0 345.399 3.159 20 5 EGBDRO CC1CCC([N@H+](C)Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000054513929 1291754790 /nfs/dbraw/zinc/75/47/90/1291754790.db2.gz IWONYOVZVWWWPO-UHFFFAOYSA-N 1 0 329.404 3.321 20 5 EGBDRO C[C@@H]1CCC[C@@H]([N@H+](C)Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000075666639 1292405188 /nfs/dbraw/zinc/40/51/88/1292405188.db2.gz GKYOOEWUWMKDEN-CZUORRHYSA-N 1 0 329.404 3.321 20 5 EGBDRO C[C@]1(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1(Cl)Cl ZINC000828310746 1292453902 /nfs/dbraw/zinc/45/39/02/1292453902.db2.gz GNTOYNLOHCYRHC-GXFFZTMASA-N 1 0 345.230 3.060 20 5 EGBDRO COc1ccccc1OCC[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000077233594 1292457378 /nfs/dbraw/zinc/45/73/78/1292457378.db2.gz BPPDLSSUXUKKDP-UHFFFAOYSA-N 1 0 330.384 3.157 20 5 EGBDRO C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CCC(C)(C)C ZINC000829946974 1292645251 /nfs/dbraw/zinc/64/52/51/1292645251.db2.gz WGCGPVARPLMRGW-UHFFFAOYSA-N 1 0 325.384 3.431 20 5 EGBDRO O=[N+]([O-])c1ccc(Br)cc1N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000087834397 1292747053 /nfs/dbraw/zinc/74/70/53/1292747053.db2.gz XFOPERQHZZNXPE-SNVBAGLBSA-N 1 0 326.194 3.006 20 5 EGBDRO CC[NH+](CC)[C@@H](CNC(=O)c1cc(F)ccc1[N+](=O)[O-])CC(C)C ZINC000112914999 1293136646 /nfs/dbraw/zinc/13/66/46/1293136646.db2.gz DXDRSWDGUHPRQR-CQSZACIVSA-N 1 0 339.411 3.220 20 5 EGBDRO O=C(OC[C@H]1CCCCS1)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000835414121 1293286030 /nfs/dbraw/zinc/28/60/30/1293286030.db2.gz WIXHYTJTUCMSBT-CYBMUJFWSA-N 1 0 347.396 3.223 20 5 EGBDRO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000122475811 1293414337 /nfs/dbraw/zinc/41/43/37/1293414337.db2.gz RQRCMTOIRNOYBX-AWEZNQCLSA-N 1 0 335.404 3.084 20 5 EGBDRO C[C@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)c1cccc(O)c1 ZINC000129813908 1293635909 /nfs/dbraw/zinc/63/59/09/1293635909.db2.gz HOGJWNVXRSAPEG-NSHDSACASA-N 1 0 347.346 3.119 20 5 EGBDRO CCC[NH+](CCC)CCCNC(=O)c1cc(F)cc(C)c1[N+](=O)[O-] ZINC000130405538 1293655322 /nfs/dbraw/zinc/65/53/22/1293655322.db2.gz BDHAIYIXIIKAIJ-UHFFFAOYSA-N 1 0 339.411 3.284 20 5 EGBDRO Cc1cc(F)cc(C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000150788237 1293893918 /nfs/dbraw/zinc/89/39/18/1293893918.db2.gz PGLMMVLPUFTZOC-OAHLLOKOSA-N 1 0 349.406 3.133 20 5 EGBDRO Cc1ccc(N2CC[C@H]([NH2+][C@H](C)c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000173964597 1294474645 /nfs/dbraw/zinc/47/46/45/1294474645.db2.gz LUJRSRZEBLKMNL-KDOFPFPSSA-N 1 0 339.395 3.359 20 5 EGBDRO CO[C@]1(C)CCCN(Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000230261388 1296162786 /nfs/dbraw/zinc/16/27/86/1296162786.db2.gz CZXIERYANMSZQA-CQSZACIVSA-N 1 0 343.221 3.358 20 5 EGBDRO C[C@H]1OCC[C@]1(C)[NH2+]Cc1cccc([N+](=O)[O-])c1Br ZINC000235653725 1296187140 /nfs/dbraw/zinc/18/71/40/1296187140.db2.gz XEGQKNLMRCAFFO-RNCFNFMXSA-N 1 0 329.194 3.014 20 5 EGBDRO O=[N+]([O-])c1cc(Br)c(F)cc1OCCC1CC[NH2+]CC1 ZINC000236253195 1296188854 /nfs/dbraw/zinc/18/88/54/1296188854.db2.gz WFBXUECRYWJFCS-UHFFFAOYSA-N 1 0 347.184 3.265 20 5 EGBDRO O=[N+]([O-])c1cccc(C[NH2+]C2(CO)CCCCC2)c1Br ZINC000236485531 1296190601 /nfs/dbraw/zinc/19/06/01/1296190601.db2.gz YZVKWNQUIRJSHL-UHFFFAOYSA-N 1 0 343.221 3.142 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](C)Cc1cnccn1 ZINC000872029903 1296676156 /nfs/dbraw/zinc/67/61/56/1296676156.db2.gz VGAHRVOOTVNIGG-NWDGAFQWSA-N 1 0 332.429 3.389 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)CC[S@@](C)=O ZINC000872047945 1296699195 /nfs/dbraw/zinc/69/91/95/1296699195.db2.gz DXBGJOIWVHFBAQ-NNUHMIRASA-N 1 0 330.475 3.124 20 5 EGBDRO CCO[C@@H]1COCC[C@@H]1[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872062388 1296709423 /nfs/dbraw/zinc/70/94/23/1296709423.db2.gz MKQMWIBPHRYRKM-BYCMXARLSA-N 1 0 340.445 3.161 20 5 EGBDRO CC(=O)Nc1cccc(OCC[NH2+]Cc2cccc([N+](=O)[O-])c2C)c1 ZINC000873040790 1297241751 /nfs/dbraw/zinc/24/17/51/1297241751.db2.gz AFFPDDGPVAVTKI-UHFFFAOYSA-N 1 0 343.383 3.030 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000874181208 1297812068 /nfs/dbraw/zinc/81/20/68/1297812068.db2.gz PYFNTMDEFBXHJY-UHFFFAOYSA-N 1 0 345.443 3.302 20 5 EGBDRO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000715090239 1298277678 /nfs/dbraw/zinc/27/76/78/1298277678.db2.gz QDVZJJSQSDDTRG-KLPPZKSPSA-N 1 0 341.433 3.049 20 5 EGBDRO O=C(Oc1cccc([N+](=O)[O-])c1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000746818811 1298666585 /nfs/dbraw/zinc/66/65/85/1298666585.db2.gz IOBKRHDCBPACQK-INIZCTEOSA-N 1 0 340.379 3.412 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCCN(c2nccs2)CC1 ZINC000876640002 1298888308 /nfs/dbraw/zinc/88/83/08/1298888308.db2.gz YLFVJDSATHZCHL-UHFFFAOYSA-N 1 0 346.456 3.380 20 5 EGBDRO Cc1ccc(C(=O)Nc2ccc(C[NH+](C)C)c(F)c2)cc1[N+](=O)[O-] ZINC000749154288 1299154154 /nfs/dbraw/zinc/15/41/54/1299154154.db2.gz KZKSXMJIXGFRPH-UHFFFAOYSA-N 1 0 331.347 3.356 20 5 EGBDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000749604355 1299244458 /nfs/dbraw/zinc/24/44/58/1299244458.db2.gz WOTBOMSJIMIMMZ-ZVBPTUHVSA-N 1 0 345.443 3.379 20 5 EGBDRO CCS[C@@H]1CCCC[N@H+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1 ZINC000749954651 1299312366 /nfs/dbraw/zinc/31/23/66/1299312366.db2.gz OELYRGXKINVJJF-CQSZACIVSA-N 1 0 349.460 3.213 20 5 EGBDRO C[C@@H](CCNC(=O)OC(C)(C)C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000877506003 1299355133 /nfs/dbraw/zinc/35/51/33/1299355133.db2.gz LYODIOTUAQFMPC-ZDUSSCGKSA-N 1 0 337.420 3.030 20 5 EGBDRO CSC[C@H]1CCC[N@H+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000878647445 1300125562 /nfs/dbraw/zinc/12/55/62/1300125562.db2.gz NHGZRXNRULHEJF-LBPRGKRZSA-N 1 0 348.428 3.220 20 5 EGBDRO C[C@H]1CC[N@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)CCS1 ZINC000754873484 1300235934 /nfs/dbraw/zinc/23/59/34/1300235934.db2.gz UKQVNLAWMSLMQE-ZDUSSCGKSA-N 1 0 332.429 3.243 20 5 EGBDRO Cc1c(NC(=O)[C@@H](C)[N@H+]2C[C@@H]3CC=CC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000879529004 1300584481 /nfs/dbraw/zinc/58/44/81/1300584481.db2.gz GFAJDZAQJGYJCH-KFWWJZLASA-N 1 0 329.400 3.128 20 5 EGBDRO CC1(C)OCC([NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CO1 ZINC000757704296 1300714853 /nfs/dbraw/zinc/71/48/53/1300714853.db2.gz IZJKUBPDHJBGKX-XJKSGUPXSA-N 1 0 334.416 3.047 20 5 EGBDRO Cc1ccc(Cn2cc(C[N@@H+](C)C3CCCCC3)nn2)cc1[N+](=O)[O-] ZINC000881211522 1301485440 /nfs/dbraw/zinc/48/54/40/1301485440.db2.gz BCXFRNGSPOCYSZ-UHFFFAOYSA-N 1 0 343.431 3.308 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2cccc(-n3cncn3)c2)cc1Cl ZINC000761525485 1301490275 /nfs/dbraw/zinc/49/02/75/1301490275.db2.gz KMSYHKFXUNROMZ-UHFFFAOYSA-N 1 0 343.774 3.119 20 5 EGBDRO O=[N+]([O-])c1cc(Cn2cc(C[NH2+]C3CCCCC3)nn2)ccc1Cl ZINC000881227070 1301495874 /nfs/dbraw/zinc/49/58/74/1301495874.db2.gz JEXWWIKTAPVWGC-UHFFFAOYSA-N 1 0 349.822 3.310 20 5 EGBDRO O=[N+]([O-])c1c(F)nccc1NC1CC[NH+](CCc2ccccc2)CC1 ZINC000881802913 1301725982 /nfs/dbraw/zinc/72/59/82/1301725982.db2.gz IASNZBBSISHZRK-UHFFFAOYSA-N 1 0 344.390 3.248 20 5 EGBDRO Cc1ccc([C@H](CNc2ccnc(F)c2[N+](=O)[O-])[NH+]2CCCC2)o1 ZINC000881897547 1301751821 /nfs/dbraw/zinc/75/18/21/1301751821.db2.gz DDWNTWUXUOXSDQ-ZDUSSCGKSA-N 1 0 334.351 3.279 20 5 EGBDRO O=[N+]([O-])c1c(F)nccc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000881914668 1301755466 /nfs/dbraw/zinc/75/54/66/1301755466.db2.gz AJUIUTHRSFEDJH-CQSZACIVSA-N 1 0 336.411 3.221 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H](O)COc1cccc(F)c1 ZINC000765288526 1302237329 /nfs/dbraw/zinc/23/73/29/1302237329.db2.gz KAQKHGMPACIBQH-BBRMVZONSA-N 1 0 348.374 3.133 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H](O)COc1cccc(F)c1 ZINC000765288529 1302238274 /nfs/dbraw/zinc/23/82/74/1302238274.db2.gz KAQKHGMPACIBQH-XJKSGUPXSA-N 1 0 348.374 3.133 20 5 EGBDRO COc1cc(NC[C@H](c2ccccc2)[NH+](C)C)c([N+](=O)[O-])cc1OC ZINC000766923661 1302548732 /nfs/dbraw/zinc/54/87/32/1302548732.db2.gz KYPXWIFTVXIZPV-MRXNPFEDSA-N 1 0 345.399 3.327 20 5 EGBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)Cc2cnccn2)cc1[N+](=O)[O-] ZINC000768100417 1302824995 /nfs/dbraw/zinc/82/49/95/1302824995.db2.gz ULRLKKNZRDPRAO-QWHCGFSZSA-N 1 0 330.388 3.065 20 5 EGBDRO C[C@H](O)C(=O)N1CC[NH+](Cc2c3ccccc3cc3ccccc32)CC1 ZINC000769501328 1303129193 /nfs/dbraw/zinc/12/91/93/1303129193.db2.gz BEHTWKBTPNVQNV-INIZCTEOSA-N 1 0 348.446 3.018 20 5 EGBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000770010753 1303206777 /nfs/dbraw/zinc/20/67/77/1303206777.db2.gz JQBKITSIMPBUDP-NSHDSACASA-N 1 0 340.811 3.244 20 5 EGBDRO CS[C@@H]1CN(c2c(C)cc([N+](=O)[O-])cc2Cl)C[C@@H]1[NH+](C)C ZINC000770132049 1303225941 /nfs/dbraw/zinc/22/59/41/1303225941.db2.gz MPFIWTMDYQOLGT-QWHCGFSZSA-N 1 0 329.853 3.038 20 5 EGBDRO CS[C@@H]1CN(c2c(C)cc([N+](=O)[O-])cc2Cl)C[C@H]1[NH+](C)C ZINC000770132042 1303226017 /nfs/dbraw/zinc/22/60/17/1303226017.db2.gz MPFIWTMDYQOLGT-CHWSQXEVSA-N 1 0 329.853 3.038 20 5 EGBDRO O=[N+]([O-])c1ncccc1C[NH2+][C@H]1c2ccccc2CC12CCOCC2 ZINC000886211149 1303394589 /nfs/dbraw/zinc/39/45/89/1303394589.db2.gz KADRUHMMPKRTBZ-KRWDZBQOSA-N 1 0 339.395 3.174 20 5 EGBDRO O=[N+]([O-])c1ncccc1CN1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC000886217491 1303397777 /nfs/dbraw/zinc/39/77/77/1303397777.db2.gz AOSODAVAULRHKX-HNNXBMFYSA-N 1 0 333.775 3.297 20 5 EGBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887133350 1303686430 /nfs/dbraw/zinc/68/64/30/1303686430.db2.gz ZGWAFUOUKVSTTM-HUUCEWRRSA-N 1 0 326.400 3.262 20 5 EGBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)NCC[C@H](C)[NH+](C)C ZINC000888279557 1304097285 /nfs/dbraw/zinc/09/72/85/1304097285.db2.gz JNPDOHFOOCVLAG-JTQLQIEISA-N 1 0 328.800 3.018 20 5 EGBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)NCC[N@@H+](C)C(C)C ZINC000888286118 1304102061 /nfs/dbraw/zinc/10/20/61/1304102061.db2.gz GOAAIGKMNKSGKH-UHFFFAOYSA-N 1 0 328.800 3.018 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC[C@H]2Cc2ccccc2)cc1 ZINC000776280461 1304127667 /nfs/dbraw/zinc/12/76/67/1304127667.db2.gz ZVVLXANZWTZPLP-RBUKOAKNSA-N 1 0 326.396 3.335 20 5 EGBDRO Cc1cccc([C@@H]2CCC[N@@H+]2C[C@H](O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000776586883 1304176272 /nfs/dbraw/zinc/17/62/72/1304176272.db2.gz RJXPBXFCEYRRAJ-ROUUACIJSA-N 1 0 327.384 3.169 20 5 EGBDRO CS[C@@H]1CC[C@H]([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000776700218 1304185816 /nfs/dbraw/zinc/18/58/16/1304185816.db2.gz KGYZHGDDALLMSB-GOEBONIOSA-N 1 0 346.456 3.369 20 5 EGBDRO O=[N+]([O-])c1ccnn1C[N@@H+]1C[C@H](c2ccccc2)[C@H]2CCCC[C@@H]21 ZINC000776773827 1304197075 /nfs/dbraw/zinc/19/70/75/1304197075.db2.gz BKVDHMCENSTOSG-ZACQAIPSSA-N 1 0 326.400 3.407 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)c(F)c1 ZINC000778105808 1304396648 /nfs/dbraw/zinc/39/66/48/1304396648.db2.gz HZZXWZLMLDSEAV-MCIONIFRSA-N 1 0 328.434 3.203 20 5 EGBDRO Cn1nccc1[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000783539855 1305105448 /nfs/dbraw/zinc/10/54/48/1305105448.db2.gz MJEIQNWAHUJVMC-CYBMUJFWSA-N 1 0 334.807 3.361 20 5 EGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@H](O)CCc1ccccc1 ZINC000784679650 1305271722 /nfs/dbraw/zinc/27/17/22/1305271722.db2.gz KFKZXKRAFOALAA-MRXNPFEDSA-N 1 0 334.803 3.332 20 5 EGBDRO COc1c(O)ccc(C[NH2+][C@@H]2CCc3c2cccc3C)c1[N+](=O)[O-] ZINC000892921531 1305609803 /nfs/dbraw/zinc/60/98/03/1305609803.db2.gz VKBABPXIXNPROU-OAHLLOKOSA-N 1 0 328.368 3.395 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@](C)(O)c1ccccc1 ZINC000786811988 1305633063 /nfs/dbraw/zinc/63/30/63/1305633063.db2.gz GCOXNMVNASIQMZ-FERCGXDMSA-N 1 0 326.396 3.495 20 5 EGBDRO CCc1ccc([C@H](CNc2cc(N)ccc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000787890228 1305820155 /nfs/dbraw/zinc/82/01/55/1305820155.db2.gz ZNOUDKOYMQMWTA-SFHVURJKSA-N 1 0 328.416 3.454 20 5 EGBDRO C[C@@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788502811 1305956425 /nfs/dbraw/zinc/95/64/25/1305956425.db2.gz LBFIPUXYDIAELB-RHSMWYFYSA-N 1 0 340.427 3.102 20 5 EGBDRO COc1ccc(CCC[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000788564067 1305972488 /nfs/dbraw/zinc/97/24/88/1305972488.db2.gz RWLOXBQAXLUMNG-CYBMUJFWSA-N 1 0 329.400 3.469 20 5 EGBDRO C[C@@H]([NH2+]C[C@](C)(O)c1cccc(Cl)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788750388 1306007527 /nfs/dbraw/zinc/00/75/27/1306007527.db2.gz NHURRRBPBQOLQU-DIFFPNOSSA-N 1 0 349.818 3.389 20 5 EGBDRO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)c1F ZINC000790247569 1306282237 /nfs/dbraw/zinc/28/22/37/1306282237.db2.gz TTWRXVZHLPSHCA-QWHCGFSZSA-N 1 0 337.395 3.035 20 5 EGBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cnn(CC2CCC2)c1 ZINC000894274050 1306316231 /nfs/dbraw/zinc/31/62/31/1306316231.db2.gz XSYKULOKLSACPN-UHFFFAOYSA-N 1 0 328.416 3.266 20 5 EGBDRO O=C(OCc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc2c[nH+]cn2c1 ZINC000790531435 1306346055 /nfs/dbraw/zinc/34/60/55/1306346055.db2.gz ZCRHHGHGFDRABO-UHFFFAOYSA-N 1 0 331.715 3.253 20 5 EGBDRO CCn1cc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)c(C)n1 ZINC000894724156 1309037821 /nfs/dbraw/zinc/03/78/21/1309037821.db2.gz TUOXDVXVDJWJEU-INIZCTEOSA-N 1 0 328.416 3.499 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)c1ccc2c[nH+]cn2c1 ZINC000792549613 1309183655 /nfs/dbraw/zinc/18/36/55/1309183655.db2.gz LJRDRNLRWXBYIV-LBPRGKRZSA-N 1 0 325.324 3.469 20 5 EGBDRO COc1c(O)ccc(CN2CC(C)(c3ccccc3)C2)c1[N+](=O)[O-] ZINC000895513882 1309380028 /nfs/dbraw/zinc/38/00/28/1309380028.db2.gz RHULPAZZEXJXMD-UHFFFAOYSA-N 1 0 328.368 3.083 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)c1C ZINC000895646769 1309447333 /nfs/dbraw/zinc/44/73/33/1309447333.db2.gz KHQSVRNZLPSLQG-HNNXBMFYSA-N 1 0 347.440 3.306 20 5 EGBDRO C[N@H+](Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1)[C@H]1CCC(C)(C)C1 ZINC000794682279 1309572985 /nfs/dbraw/zinc/57/29/85/1309572985.db2.gz HEZLYURNGZJKCL-AWEZNQCLSA-N 1 0 329.404 3.321 20 5 EGBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000896611530 1309937155 /nfs/dbraw/zinc/93/71/55/1309937155.db2.gz BAMACWLPVZCTMG-HUUCEWRRSA-N 1 0 348.447 3.029 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)c1C ZINC000896792037 1310016772 /nfs/dbraw/zinc/01/67/72/1310016772.db2.gz WSCMMVLJZMBSQH-MRXNPFEDSA-N 1 0 345.443 3.016 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)c1C ZINC000897100385 1310179423 /nfs/dbraw/zinc/17/94/23/1310179423.db2.gz DPCWQCICEQEMLQ-MRXNPFEDSA-N 1 0 347.459 3.309 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC[C@@H](C)[NH+]2CCCCC2)c1C ZINC000897375795 1310312772 /nfs/dbraw/zinc/31/27/72/1310312772.db2.gz DSINNXGNAGFDBE-CQSZACIVSA-N 1 0 333.432 3.206 20 5 EGBDRO CCN(CCC[NH+](C)C)c1ccc([N+](=O)[O-])cc1Br ZINC000798397809 1310355671 /nfs/dbraw/zinc/35/56/71/1310355671.db2.gz LPNJFMNOEGERQN-UHFFFAOYSA-N 1 0 330.226 3.135 20 5 EGBDRO CO[C@@H]1CCOC[C@H]1[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000897891379 1310507205 /nfs/dbraw/zinc/50/72/05/1310507205.db2.gz DAPULBJDVSHFDO-GDBMZVCRSA-N 1 0 348.424 3.217 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](CCO)Cc1ccccc1 ZINC000799350059 1310533687 /nfs/dbraw/zinc/53/36/87/1310533687.db2.gz NWIFVFKDLRYTRM-KRWDZBQOSA-N 1 0 344.411 3.077 20 5 EGBDRO O=C(OCCC[NH+]1CCCC1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000800174593 1310691300 /nfs/dbraw/zinc/69/13/00/1310691300.db2.gz CUFKGBCLOKTTGI-UHFFFAOYSA-N 1 0 346.305 3.256 20 5 EGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1Cc2ccccc2[C@H]1O ZINC000898391320 1310706527 /nfs/dbraw/zinc/70/65/27/1310706527.db2.gz ANGUVNHBTJVZQY-BOFPYLFWSA-N 1 0 326.396 3.164 20 5 EGBDRO Cc1nn(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)cc1[N+](=O)[O-] ZINC000800866233 1310821191 /nfs/dbraw/zinc/82/11/91/1310821191.db2.gz CJHVJIZBYPYSIG-BJWYYQGGSA-N 1 0 326.400 3.468 20 5 EGBDRO CC[C@@H]1CN(c2cc(N)ccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000800862932 1310821772 /nfs/dbraw/zinc/82/17/72/1310821772.db2.gz BPTSWJOPNVZMOA-QGZVFWFLSA-N 1 0 340.427 3.278 20 5 EGBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H](O)c1ccc(F)c(F)c1 ZINC000801599774 1310972749 /nfs/dbraw/zinc/97/27/49/1310972749.db2.gz CKUUOPBGBXEQRL-QGZVFWFLSA-N 1 0 336.338 3.081 20 5 EGBDRO CC[C@H](C)[C@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)OC ZINC000824596167 1320268459 /nfs/dbraw/zinc/26/84/59/1320268459.db2.gz GGXLPPHUUUTGRR-KSSFIOAISA-N 1 0 335.448 3.214 20 5 EGBDRO CN(c1ccc(N)cc1[N+](=O)[O-])[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000804529615 1317256139 /nfs/dbraw/zinc/25/61/39/1317256139.db2.gz FINYCJGLFJJUMD-QGZVFWFLSA-N 1 0 340.427 3.278 20 5 EGBDRO C[N@@H+]1CCN(c2cccc(F)c2[N+](=O)[O-])C[C@H]1Cc1ccccc1 ZINC000804720819 1317276872 /nfs/dbraw/zinc/27/68/72/1317276872.db2.gz VRJMBZASRCQEPC-OAHLLOKOSA-N 1 0 329.375 3.097 20 5 EGBDRO C[C@@H](NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1)C(C)(C)C[NH+](C)C ZINC000900833607 1317345030 /nfs/dbraw/zinc/34/50/30/1317345030.db2.gz TVGLFNPGEJRSPG-SECBINFHSA-N 1 0 345.802 3.093 20 5 EGBDRO O=[N+]([O-])c1cc2c(cc1-c1cc(CC[NH+]3CCCCC3)on1)OCO2 ZINC000901398602 1317418711 /nfs/dbraw/zinc/41/87/11/1317418711.db2.gz WFCCOBLFWSOFKH-UHFFFAOYSA-N 1 0 345.355 3.007 20 5 EGBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)C1CCCCCC1 ZINC001020021817 1317504619 /nfs/dbraw/zinc/50/46/19/1317504619.db2.gz FYBFJBDSQGZWDO-QAQDUYKDSA-N 1 0 345.443 3.302 20 5 EGBDRO CC1(C)C(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccccc3[N+](=O)[O-])C2)C1(C)C ZINC001020053169 1317519987 /nfs/dbraw/zinc/51/99/87/1317519987.db2.gz AGVMACFTZICYGQ-HDJSIYSDSA-N 1 0 345.443 3.014 20 5 EGBDRO CSCC1CC[NH+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)CC1 ZINC000902393243 1317572295 /nfs/dbraw/zinc/57/22/95/1317572295.db2.gz NZQPNCCTWUDYCI-UHFFFAOYSA-N 1 0 346.456 3.491 20 5 EGBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2Cc3ccccc3[C@H]2O)cc1[N+](=O)[O-] ZINC000903440518 1317699893 /nfs/dbraw/zinc/69/98/93/1317699893.db2.gz PAHSCPQENSAKED-SMNXXWJPSA-N 1 0 342.395 3.302 20 5 EGBDRO [NH3+]CCN(Cc1cc(F)cc2cccnc21)c1ccc([N+](=O)[O-])cc1 ZINC000809736391 1317884434 /nfs/dbraw/zinc/88/44/34/1317884434.db2.gz SDBWXJZBRQFGRL-UHFFFAOYSA-N 1 0 340.358 3.247 20 5 EGBDRO Cc1cc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)cs1 ZINC001020746087 1317902709 /nfs/dbraw/zinc/90/27/09/1317902709.db2.gz JEVBYCONQBTFDV-SHTZXODSSA-N 1 0 345.424 3.015 20 5 EGBDRO C[N@@H+](Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C[C@@H]1CCC[C@H]1O ZINC000809965624 1317926398 /nfs/dbraw/zinc/92/63/98/1317926398.db2.gz JDNSEZPNTZAVFC-TVQRCGJNSA-N 1 0 333.215 3.494 20 5 EGBDRO C[N@H+](Cc1cn(Cc2cc(Cl)ccc2[N+](=O)[O-])nn1)C(C)(C)C ZINC000905808337 1318002954 /nfs/dbraw/zinc/00/29/54/1318002954.db2.gz GFPZFJKQZIFLPR-UHFFFAOYSA-N 1 0 337.811 3.118 20 5 EGBDRO C[C@H](C(=O)O[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc([N+](=O)[O-])cc1F ZINC000810849045 1318066961 /nfs/dbraw/zinc/06/69/61/1318066961.db2.gz ZGPDZKKRBZIZLS-SGMGOOAPSA-N 1 0 336.363 3.007 20 5 EGBDRO Cc1cc(C[NH3+])cc(NC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC000906633702 1318131618 /nfs/dbraw/zinc/13/16/18/1318131618.db2.gz IVCYAQFTQGYVLX-IRXDYDNUSA-N 1 0 325.368 3.104 20 5 EGBDRO C[C@@H](CNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000811480505 1318182213 /nfs/dbraw/zinc/18/22/13/1318182213.db2.gz VWUXKANBAFQZCQ-VIFPVBQESA-N 1 0 332.231 3.474 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCc2ccc(F)cc2Cl)cc1 ZINC000811486627 1318183611 /nfs/dbraw/zinc/18/36/11/1318183611.db2.gz LRCPSTMJDDUVPV-MRXNPFEDSA-N 1 0 338.766 3.253 20 5 EGBDRO CNc1ccc(C(=O)Nc2ccc(C[NH+](C)C)cc2C)cc1[N+](=O)[O-] ZINC000909616835 1318503943 /nfs/dbraw/zinc/50/39/43/1318503943.db2.gz MZSZLKBXDKJVFA-UHFFFAOYSA-N 1 0 342.399 3.259 20 5 EGBDRO CC(C)[C@@H](C(=O)OCc1cc([N+](=O)[O-])ccc1C(F)(F)F)[NH+](C)C ZINC000815238925 1318939107 /nfs/dbraw/zinc/93/91/07/1318939107.db2.gz GQCSULNTHWGZEL-ZDUSSCGKSA-N 1 0 348.321 3.243 20 5 EGBDRO CCN(C)c1ccccc1C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815577330 1319018584 /nfs/dbraw/zinc/01/85/84/1319018584.db2.gz NHSBRSIRXDDSDH-ZDUSSCGKSA-N 1 0 328.416 3.484 20 5 EGBDRO C[C@H]([NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815599146 1319024494 /nfs/dbraw/zinc/02/44/94/1319024494.db2.gz MAZVVTCRAYWLNP-FFFUXKDYSA-N 1 0 339.486 3.207 20 5 EGBDRO Cc1cccc2c1OC[C@H]([NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)C2 ZINC000815628206 1319031903 /nfs/dbraw/zinc/03/19/03/1319031903.db2.gz UMTFGUUSUPYAOW-IUODEOHRSA-N 1 0 327.384 3.140 20 5 EGBDRO C[C@H](CNC(=S)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC[C@@H]1C ZINC000915274938 1319459655 /nfs/dbraw/zinc/45/96/55/1319459655.db2.gz QBQFPLBQDUDSFC-QWHCGFSZSA-N 1 0 336.461 3.144 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCCn2ccc3ccccc32)cc1 ZINC000818942090 1319582920 /nfs/dbraw/zinc/58/29/20/1319582920.db2.gz FJAPXNRZTQNRSG-IBGZPJMESA-N 1 0 339.395 3.263 20 5 EGBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000916067474 1319597825 /nfs/dbraw/zinc/59/78/25/1319597825.db2.gz QXQRUEICNNNEPV-PDTSHOSPSA-N 1 0 345.443 3.092 20 5 EGBDRO CC(C)(C)c1csc(CC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000819017060 1319615284 /nfs/dbraw/zinc/61/52/84/1319615284.db2.gz BVZIHRXHPGYAOR-CQSZACIVSA-N 1 0 349.456 3.215 20 5 EGBDRO CCC(CC)[C@@H](CNC[C@H](O)c1ccc([N+](=O)[O-])cc1)[NH+]1CCCC1 ZINC000819062558 1319624361 /nfs/dbraw/zinc/62/43/61/1319624361.db2.gz RMEUUCLEGGDRJG-MOPGFXCFSA-N 1 0 349.475 3.118 20 5 EGBDRO C[C@H](C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)Sc1ccccc1 ZINC000819116732 1319640277 /nfs/dbraw/zinc/64/02/77/1319640277.db2.gz YEZHRCRDTIBJLC-CXAGYDPISA-N 1 0 332.425 3.399 20 5 EGBDRO CCOCCC1(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCCC1 ZINC000819158787 1319652024 /nfs/dbraw/zinc/65/20/24/1319652024.db2.gz ZMPIASFCBRUFOH-QGZVFWFLSA-N 1 0 336.432 3.205 20 5 EGBDRO CO[C@H](c1ccccc1F)[C@@H](C)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819210337 1319668917 /nfs/dbraw/zinc/66/89/17/1319668917.db2.gz UUMKLQYFHIGENR-UUWFMWQGSA-N 1 0 348.374 3.133 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@H]2CSc3ccccc32)c1 ZINC000819337504 1319703112 /nfs/dbraw/zinc/70/31/12/1319703112.db2.gz SLWPEDCKGXUMJC-XJKSGUPXSA-N 1 0 330.409 3.107 20 5 EGBDRO C[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)c2ccccc2O1 ZINC000819342154 1319704380 /nfs/dbraw/zinc/70/43/80/1319704380.db2.gz OIUKGJXOPVXOHV-JLZZUVOBSA-N 1 0 328.368 3.130 20 5 EGBDRO C[C@]1(CC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1(Cl)Cl ZINC000819348931 1319706579 /nfs/dbraw/zinc/70/65/79/1319706579.db2.gz JEPCZPQUELQZSU-STQMWFEESA-N 1 0 333.215 3.192 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2CCO[C@@H](c3cccs3)C2)c1 ZINC000819351858 1319707005 /nfs/dbraw/zinc/70/70/05/1319707005.db2.gz GKWJZXRTXSKSGQ-FVQBIDKESA-N 1 0 348.424 3.200 20 5 EGBDRO C[C@H](c1ccncc1)[NH+]1CCC(Nc2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000819922847 1319803312 /nfs/dbraw/zinc/80/33/12/1319803312.db2.gz MTHCUWTWVWBYFS-CYBMUJFWSA-N 1 0 341.415 3.210 20 5 EGBDRO CCCC[N@H+](CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)[C@H](C)CC ZINC000917437416 1319811292 /nfs/dbraw/zinc/81/12/92/1319811292.db2.gz LHMWTUWMMXRMJN-GFCCVEGCSA-N 1 0 333.388 3.049 20 5 EGBDRO CN(C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)C(C)(C)C[NH+]1CCCC1 ZINC000822952771 1320140016 /nfs/dbraw/zinc/14/00/16/1320140016.db2.gz NKZPHMHUOSBCMM-DLBZAZTESA-N 1 0 345.443 3.031 20 5 EGBDRO Cc1cc(-c2noc([C@@H]3C[C@H]3C3CC[NH2+]CC3)n2)cc([N+](=O)[O-])c1 ZINC000823270621 1320166604 /nfs/dbraw/zinc/16/66/04/1320166604.db2.gz UGBFIEGLFCEZAD-LSDHHAIUSA-N 1 0 328.372 3.056 20 5 EGBDRO COc1cc(C[NH2+]CC[C@@]2(C)CC2(Cl)Cl)c([N+](=O)[O-])cc1O ZINC000824971555 1320300759 /nfs/dbraw/zinc/30/07/59/1320300759.db2.gz UBCNRBAFXISBAV-ZDUSSCGKSA-N 1 0 349.214 3.373 20 5 EGBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000825529615 1320345207 /nfs/dbraw/zinc/34/52/07/1320345207.db2.gz KLSSASREFFVTER-VXGBXAGGSA-N 1 0 339.823 3.098 20 5 EGBDRO COc1ccc(C(=O)OC[C@@H]2CCCC[N@@H+]2C(C)C)cc1[N+](=O)[O-] ZINC000837343494 1320601297 /nfs/dbraw/zinc/60/12/97/1320601297.db2.gz ASKPIFCXQABOKJ-AWEZNQCLSA-N 1 0 336.388 3.023 20 5 EGBDRO CC(C)[C@@H]1CCC[N@@H+]1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839472881 1320926739 /nfs/dbraw/zinc/92/67/39/1320926739.db2.gz WAVXGIGYMKCCAK-ZDUSSCGKSA-N 1 0 325.796 3.307 20 5 EGBDRO CO[C@H]1C[C@H]([N@H+](C)Cn2nc(C)c3cc([N+](=O)[O-])ccc32)C12CCC2 ZINC000840144432 1321038477 /nfs/dbraw/zinc/03/84/77/1321038477.db2.gz YYAJSIXDZUEEKN-IRXDYDNUSA-N 1 0 344.415 3.100 20 5 EGBDRO O=[N+]([O-])c1ccc(Cl)cc1CNC[C@H]1[NH2+]CCc2ccccc21 ZINC000841069090 1321213175 /nfs/dbraw/zinc/21/31/75/1321213175.db2.gz NHJPXGSYMUVLHD-MRXNPFEDSA-N 1 0 331.803 3.225 20 5 EGBDRO [NH3+]C1(CNC(=O)Nc2cccc([N+](=O)[O-])c2Cl)CCCCC1 ZINC000841233208 1321237255 /nfs/dbraw/zinc/23/72/55/1321237255.db2.gz OIUSTMJKDDEMEE-UHFFFAOYSA-N 1 0 326.784 3.031 20 5 EGBDRO CC(C)(C)[S@@](=O)CC[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000841765114 1321309281 /nfs/dbraw/zinc/30/92/81/1321309281.db2.gz VKNVOHWAMVBPQP-HJPURHCSSA-N 1 0 338.473 3.499 20 5 EGBDRO CCC[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@H](O)c1ccccc1 ZINC000843089719 1321467751 /nfs/dbraw/zinc/46/77/51/1321467751.db2.gz RSZMRTPYQCGOLJ-IPMKNSEASA-N 1 0 344.411 3.120 20 5 EGBDRO Cc1c(Cc2noc(C[C@H](C)[C@@H]3CCC[NH2+]C3)n2)cccc1[N+](=O)[O-] ZINC000843191110 1321484722 /nfs/dbraw/zinc/48/47/22/1321484722.db2.gz CSLVPVNKRLWKBH-SWLSCSKDSA-N 1 0 344.415 3.055 20 5 EGBDRO COCC[N@H+]1[C@H](C)CN(C/C(C)=C/c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000843425926 1321516696 /nfs/dbraw/zinc/51/66/96/1321516696.db2.gz KCINCKWWJCFMAS-JOQXAKKRSA-N 1 0 347.459 3.039 20 5 EGBDRO CC(C)(C)[N@@H+]1CC[C@@H]1COC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000845741229 1321740565 /nfs/dbraw/zinc/74/05/65/1321740565.db2.gz UPLAMHGVMJMJKZ-LLVKDONJSA-N 1 0 326.780 3.278 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000930862118 1328989948 /nfs/dbraw/zinc/98/99/48/1328989948.db2.gz ILTOZZRUMLGSAR-CQSZACIVSA-N 1 0 334.420 3.065 20 5 EGBDRO CC(C)(C)[C@@H](Cn1ccnc1)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000848522174 1321968470 /nfs/dbraw/zinc/96/84/70/1321968470.db2.gz VETABKKXRNOCPU-DOTOQJQBSA-N 1 0 328.416 3.483 20 5 EGBDRO Cc1nccn1-c1ccc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])cn1 ZINC000848521289 1321968577 /nfs/dbraw/zinc/96/85/77/1321968577.db2.gz MMMISXRTPYSTOQ-KRWDZBQOSA-N 1 0 349.394 3.261 20 5 EGBDRO C[C@@H](Cc1ccccn1)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000848566177 1321977926 /nfs/dbraw/zinc/97/79/26/1321977926.db2.gz YIYYQKCDSUOHAU-HNNXBMFYSA-N 1 0 340.427 3.179 20 5 EGBDRO CC(C)CCC[C@H](C)NC(=[NH2+])NCCNc1ccccc1[N+](=O)[O-] ZINC000849054110 1322060237 /nfs/dbraw/zinc/06/02/37/1322060237.db2.gz GVBGMULBCMBEEZ-AWEZNQCLSA-N 1 0 335.452 3.335 20 5 EGBDRO CN1Cc2ccc(NC(=S)Nc3ccc([N+](=O)[O-])cc3)cc2C1 ZINC000919718065 1322098076 /nfs/dbraw/zinc/09/80/76/1322098076.db2.gz CQVLDCFWJKOYSZ-UHFFFAOYSA-N 1 0 328.397 3.349 20 5 EGBDRO O=[N+]([O-])c1cc(F)c(N2CCC([C@H]3CCC[NH2+]C3)CC2)c(F)c1 ZINC000849239570 1322099498 /nfs/dbraw/zinc/09/94/98/1322099498.db2.gz UQFPNCNOXKGZTM-LBPRGKRZSA-N 1 0 325.359 3.089 20 5 EGBDRO C[C@@H]([NH2+]Cc1cccnc1N1CCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850500775 1322257259 /nfs/dbraw/zinc/25/72/59/1322257259.db2.gz JQBDWUBONONNMN-CYBMUJFWSA-N 1 0 341.415 3.023 20 5 EGBDRO C[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1cscn1 ZINC000850511477 1322258591 /nfs/dbraw/zinc/25/85/91/1322258591.db2.gz GDEYXNJPKKPPDT-GFCCVEGCSA-N 1 0 332.429 3.371 20 5 EGBDRO Cc1nn(C)c(C[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)c1Cl ZINC000921779708 1322397387 /nfs/dbraw/zinc/39/73/87/1322397387.db2.gz MGNBGJOGWKKZJO-UHFFFAOYSA-N 1 0 336.823 3.403 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000931725976 1329172842 /nfs/dbraw/zinc/17/28/42/1329172842.db2.gz AZJQZPCCOCPDFP-WBVHZDCISA-N 1 0 333.432 3.051 20 5 EGBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1c(F)c(C)cc([N+](=O)[O-])c1F ZINC000854493793 1325267378 /nfs/dbraw/zinc/26/73/78/1325267378.db2.gz HEFQUZYKYMMRRG-NSHDSACASA-N 1 0 343.374 3.032 20 5 EGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@@H]2CCCc3cccnc32)n1 ZINC000927060375 1327834897 /nfs/dbraw/zinc/83/48/97/1327834897.db2.gz ATBOHLFPOKYOEB-BZUAXINKSA-N 1 0 341.415 3.337 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2C[C@H]2c2ccc(F)cc2F)c1 ZINC000863584223 1329564810 /nfs/dbraw/zinc/56/48/10/1329564810.db2.gz UKYVJBSKNZBHAT-USXIJHARSA-N 1 0 334.322 3.052 20 5 EGBDRO C[NH+](C)CCN(Cc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000864005248 1329593522 /nfs/dbraw/zinc/59/35/22/1329593522.db2.gz LZVULVPSFSETSQ-UHFFFAOYSA-N 1 0 335.354 3.441 20 5 EGBDRO C[N@@H+]1CCC[C@@]2(CCN(c3ccc([N+](=O)[O-])cc3C(F)F)C2)C1 ZINC000865832660 1329743243 /nfs/dbraw/zinc/74/32/43/1329743243.db2.gz MXGHDAWXHWKIED-MRXNPFEDSA-N 1 0 325.359 3.455 20 5 EGBDRO C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000932275442 1329802797 /nfs/dbraw/zinc/80/27/97/1329802797.db2.gz GLDSVTQFNBZKTL-MAUKXSAKSA-N 1 0 341.411 3.025 20 5 EGBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000933372148 1329883993 /nfs/dbraw/zinc/88/39/93/1329883993.db2.gz SWSTVSZJAGHXHW-QXRTWZOPSA-N 1 0 345.443 3.030 20 5 EGBDRO Cc1noc(C[C@H]2CCC[N@H+](Cc3cccc([N+](=O)[O-])c3C)C2)n1 ZINC000933575469 1329902773 /nfs/dbraw/zinc/90/27/73/1329902773.db2.gz AQTQWYBJVOCPMM-CQSZACIVSA-N 1 0 330.388 3.049 20 5 EGBDRO Cc1noc(C[C@@H]2CCC[N@@H+]([C@@H](C)c3ccccc3[N+](=O)[O-])C2)n1 ZINC000933575927 1329902866 /nfs/dbraw/zinc/90/28/66/1329902866.db2.gz ODFZEMHAFGZGGC-JSGCOSHPSA-N 1 0 330.388 3.302 20 5 EGBDRO Cc1ccc([C@@H](O)C[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])cc1 ZINC000866238927 1330083540 /nfs/dbraw/zinc/08/35/40/1330083540.db2.gz RVSMSNNQISZJAJ-ACJLOTCBSA-N 1 0 332.375 3.297 20 5 EGBDRO Cc1ccccc1[C@@H](O)C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866265237 1330087513 /nfs/dbraw/zinc/08/75/13/1330087513.db2.gz JDZUZPAVGNVXLW-UGSOOPFHSA-N 1 0 332.375 3.297 20 5 EGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1ccc2c(c1)COC2 ZINC000866307535 1330093852 /nfs/dbraw/zinc/09/38/52/1330093852.db2.gz DAFRCDKFWVIOSY-LBPRGKRZSA-N 1 0 330.359 3.485 20 5 EGBDRO C[C@H](C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-])CC1(C)OCCO1 ZINC000866427595 1330110767 /nfs/dbraw/zinc/11/07/67/1330110767.db2.gz MBESLZFQUYBLNJ-STQMWFEESA-N 1 0 340.395 3.044 20 5 EGBDRO Cc1cc(C)cc([C@@H](C)NC(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)c1 ZINC000867949034 1330231996 /nfs/dbraw/zinc/23/19/96/1330231996.db2.gz LVQVHYMSLUFSJM-AUUYWEPGSA-N 1 0 341.411 3.263 20 5 EGBDRO C[N@@H+](Cc1ccccc1[N+](=O)[O-])CC1CCN(C(=O)C2(C)CC2)CC1 ZINC001029967896 1341137645 /nfs/dbraw/zinc/13/76/45/1341137645.db2.gz YPSZUYQYXAFCHA-UHFFFAOYSA-N 1 0 345.443 3.065 20 5 EGBDRO O=C(N[C@H]1CC[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CC1)C1CCCC1 ZINC001034580190 1342626613 /nfs/dbraw/zinc/62/66/13/1342626613.db2.gz FEYBCSLNCKNKTH-QAQDUYKDSA-N 1 0 345.443 3.302 20 5 EGBDRO O=C(N[C@H]1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1)C1CC=CC1 ZINC001034612097 1342648099 /nfs/dbraw/zinc/64/80/99/1342648099.db2.gz IDRWAQFNQBQMIV-QAQDUYKDSA-N 1 0 343.427 3.078 20 5 EGBDRO Cc1cc(Br)cc([N+](=O)[O-])c1O[C@H]1CC[NH2+]CC[C@@H]1F ZINC001218017464 1373538745 /nfs/dbraw/zinc/53/87/45/1373538745.db2.gz JOXIBTCCKYLKQV-JQWIXIFHSA-N 1 0 347.184 3.135 20 5 EGBDRO CC1(C)C[NH2+]CC[C@H]1Oc1cc(Br)cc([N+](=O)[O-])c1 ZINC001218315331 1373593498 /nfs/dbraw/zinc/59/34/98/1373593498.db2.gz LCYIGURUVLOAPH-GFCCVEGCSA-N 1 0 329.194 3.124 20 5 EGBDRO CC1(C)C[NH2+]CC[C@@H]1Oc1cc([N+](=O)[O-])c(F)cc1Br ZINC001218315235 1373593701 /nfs/dbraw/zinc/59/37/01/1373593701.db2.gz VZTYZVZTVWRPHC-LBPRGKRZSA-N 1 0 347.184 3.263 20 5 EGBDRO CC1(C)C[C@@H](Oc2ccc(Br)cc2[N+](=O)[O-])CC[NH2+]1 ZINC001218476960 1373622097 /nfs/dbraw/zinc/62/20/97/1373622097.db2.gz VCZJYPNIKGOZQR-JTQLQIEISA-N 1 0 329.194 3.267 20 5 EGBDRO Cc1cncc([N+](=O)[O-])c1NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC001323134546 1387299410 /nfs/dbraw/zinc/29/94/10/1387299410.db2.gz BDVICCQAERCWPE-AWEZNQCLSA-N 1 0 334.807 3.088 20 5 EGBDRO C=C/C(C)=C/CC(=O)N1CCC([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC001202054201 1369676952 /nfs/dbraw/zinc/67/69/52/1369676952.db2.gz NJGGDGBMOIZYNT-YIXHJXPBSA-N 1 0 349.456 3.259 20 5 EGBDRO C[NH+]1CCN(Cc2ccc(Nc3cccc([N+](=O)[O-])c3)cc2)CC1 ZINC001204456929 1370482426 /nfs/dbraw/zinc/48/24/26/1370482426.db2.gz QPYICGIPWBBUES-UHFFFAOYSA-N 1 0 326.400 3.086 20 5 EGBDRO C[C@]1(c2nc(-c3cc4ccccc4c4ccccc34)no2)C[NH2+]C[C@H]1O ZINC001204858110 1370592232 /nfs/dbraw/zinc/59/22/32/1370592232.db2.gz NRQJQSHBBRSYTF-NQIIRXRSSA-N 1 0 345.402 3.265 20 5 EGBDRO C[NH+]1CCN(c2ccc(F)cc2Nc2ccccc2[N+](=O)[O-])CC1 ZINC001206164348 1370977212 /nfs/dbraw/zinc/97/72/12/1370977212.db2.gz HQBCRYREKMPEMJ-UHFFFAOYSA-N 1 0 330.363 3.229 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)c2ncnc(N[C@H]3CC[N@@H+]4CCCC[C@H]34)c2c1 ZINC001118579021 1371201802 /nfs/dbraw/zinc/20/18/02/1371201802.db2.gz SXZANNLGAJYRIV-UONOGXRCSA-N 1 0 347.806 3.230 20 5 EGBDRO C[NH+]1CCN(c2ccc(F)cc2Nc2cccc([N+](=O)[O-])c2F)CC1 ZINC001210384806 1372339799 /nfs/dbraw/zinc/33/97/99/1372339799.db2.gz WDEFUOHHZBRFPE-UHFFFAOYSA-N 1 0 348.353 3.368 20 5 EGBDRO C[NH+]1CCN(c2cccc(F)c2Nc2ccc(F)c([N+](=O)[O-])c2)CC1 ZINC001211197340 1372499710 /nfs/dbraw/zinc/49/97/10/1372499710.db2.gz XVHQJUOYEXDFJM-UHFFFAOYSA-N 1 0 348.353 3.368 20 5 EGBDRO O=[N+]([O-])c1cc([N+](=O)[O-])c(O[C@@H]2C[NH2+]CCC[C@@H]2F)c2ccccc21 ZINC001217982014 1373525028 /nfs/dbraw/zinc/52/50/28/1373525028.db2.gz SRCAXGZVWVLLMH-SWLSCSKDSA-N 1 0 349.318 3.125 20 5 EGBDRO C[C@@H]1C[NH2+]CCC[C@@H]1Oc1ccc(Br)cc1[N+](=O)[O-] ZINC001217987541 1373527532 /nfs/dbraw/zinc/52/75/32/1373527532.db2.gz NQDZEHJXZGNYGN-SKDRFNHKSA-N 1 0 329.194 3.124 20 5 EGBDRO C[C@H](Oc1cc([N+](=O)[O-])cc(F)c1Br)C1CC[NH2+]CC1 ZINC001218008622 1373535604 /nfs/dbraw/zinc/53/56/04/1373535604.db2.gz GCHOAUGUCGEIAC-QMMMGPOBSA-N 1 0 347.184 3.263 20 5 EGBDRO C[C@@H]1CC[NH2+]C[C@H]1Oc1c2ccccc2c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001218044254 1373546492 /nfs/dbraw/zinc/54/64/92/1373546492.db2.gz VULLVGVOFDFJSI-MEBBXXQBSA-N 1 0 331.328 3.033 20 5 EGBDRO O=[N+]([O-])c1ccc(O[C@@H]2CCC[C@@]23CC[NH2+]C3)c(Br)c1 ZINC001218088579 1373557885 /nfs/dbraw/zinc/55/78/85/1373557885.db2.gz FDWUKXANJHELLI-KGLIPLIRSA-N 1 0 341.205 3.268 20 5 EGBDRO O=[N+]([O-])c1cc(Br)c(F)cc1O[C@H]1CC[C@@]12CC[NH2+]C2 ZINC001218115945 1373563363 /nfs/dbraw/zinc/56/33/63/1373563363.db2.gz PDRUUSGTMFBORQ-STQMWFEESA-N 1 0 345.168 3.017 20 5 EGBDRO O=[N+]([O-])c1c(Br)cccc1O[C@@H]1CCC[C@@H]2C[NH2+]C[C@@H]21 ZINC001218145081 1373568561 /nfs/dbraw/zinc/56/85/61/1373568561.db2.gz IJMWXCGIXZNDIY-JFGNBEQYSA-N 1 0 341.205 3.124 20 5 EGBDRO CCC(C)(C)c1cc([N+](=O)[O-])c(O[C@H]2[C@@H]3C[C@H]2C[NH2+]C3)c([N+](=O)[O-])c1 ZINC001218149670 1373569806 /nfs/dbraw/zinc/56/98/06/1373569806.db2.gz SIWWQSAXLXBAPG-HBYGRHMLSA-N 1 0 349.387 3.177 20 5 EGBDRO C[NH2+][C@H]1CC[C@H](Oc2cc(N3CCCCC3)ccc2[N+](=O)[O-])CC1 ZINC001218189709 1373574670 /nfs/dbraw/zinc/57/46/70/1373574670.db2.gz JJMOWCOJFQJQMU-KOMQPUFPSA-N 1 0 333.432 3.495 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2ccc(OC[C@@H]3C[NH2+]CCCO3)cc2)c1 ZINC001218303351 1373591380 /nfs/dbraw/zinc/59/13/80/1373591380.db2.gz ZHDDMQZUBQXOOG-SFHVURJKSA-N 1 0 328.368 3.019 20 5 EGBDRO CC1(C)C[NH2+]CC[C@@H]1Oc1ccc2c(c1)oc1cc(O)ccc1c2=O ZINC001218315838 1373594216 /nfs/dbraw/zinc/59/42/16/1373594216.db2.gz MXRWTOGWPXWLJK-SFHVURJKSA-N 1 0 339.391 3.419 20 5 EGBDRO CCC(C)(C)c1cc([N+](=O)[O-])c(O[C@H]2C=CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001218333264 1373598815 /nfs/dbraw/zinc/59/88/15/1373598815.db2.gz DCEUUOXXZUOWIM-LBPRGKRZSA-N 1 0 335.360 3.097 20 5 EGBDRO C[C@H]1CC[C@H](Oc2ccc3c(c2)oc2cc(O)ccc2c3=O)C[NH2+]1 ZINC001218400340 1373607458 /nfs/dbraw/zinc/60/74/58/1373607458.db2.gz DLFQVNLSTHOPML-FZMZJTMJSA-N 1 0 325.364 3.171 20 5 EGBDRO CC(C)(C)c1cc([N+](=O)[O-])c(O[C@@H]2C[NH2+]CCC23CC3)c([N+](=O)[O-])c1 ZINC001218406705 1373608612 /nfs/dbraw/zinc/60/86/12/1373608612.db2.gz YBNHOPOLSHFZNM-CQSZACIVSA-N 1 0 349.387 3.321 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(O[C@H]2C[NH2+]Cc3ccccc32)cc1[N+](=O)[O-] ZINC001218492597 1373625571 /nfs/dbraw/zinc/62/55/71/1373625571.db2.gz ZKKVLNQPMSDVDB-INIZCTEOSA-N 1 0 329.312 3.035 20 5 EGBDRO Nc1ccc2n(C(=O)C3CCC(C[NH3+])CC3)c3ccccc3cc-2c1=O ZINC001219255788 1373696430 /nfs/dbraw/zinc/69/64/30/1373696430.db2.gz LQPVCOORVZCRIA-UHFFFAOYSA-N 1 0 349.434 3.094 20 5 EGBDRO CC(C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](OCCOc1ccc([N+](=O)[O-])cc1)C2 ZINC001224779785 1375076413 /nfs/dbraw/zinc/07/64/13/1375076413.db2.gz YNLBPDNBSHTQTF-VQFNDLOPSA-N 1 0 334.416 3.394 20 5 EGBDRO C[NH+]1CCC2(CC[C@H](COc3cc(Cl)ccc3[N+](=O)[O-])O2)CC1 ZINC001225710312 1375148230 /nfs/dbraw/zinc/14/82/30/1375148230.db2.gz JIRSCMYFBCPICG-CYBMUJFWSA-N 1 0 340.807 3.270 20 5 EGBDRO CC(C)(C)/C=C\C(=O)NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001226632984 1375296226 /nfs/dbraw/zinc/29/62/26/1375296226.db2.gz JXMVOEFZXZPDML-FLIBITNWSA-N 1 0 345.443 3.278 20 5 EGBDRO C[N@@H+]1CCC[C@@H](Oc2ncnc3cc(Cl)c([N+](=O)[O-])cc32)CC1 ZINC001227363844 1375422520 /nfs/dbraw/zinc/42/25/20/1375422520.db2.gz HFHIDIFLIFCQMT-SNVBAGLBSA-N 1 0 336.779 3.055 20 5 EGBDRO O=[N+]([O-])c1cncc(O[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)c1 ZINC001227990738 1375499413 /nfs/dbraw/zinc/49/94/13/1375499413.db2.gz PSYMJHYREPFUTC-AYOQOUSVSA-N 1 0 339.395 3.279 20 5 EGBDRO O=[N+]([O-])c1cncc(OC2CC[NH+](CCc3ccccc3)CC2)c1 ZINC001227990548 1375499420 /nfs/dbraw/zinc/49/94/20/1375499420.db2.gz MZPKYXCJQPCYQN-UHFFFAOYSA-N 1 0 327.384 3.076 20 5 EGBDRO Cc1cc(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)ccc1Cl ZINC001133244935 1375865540 /nfs/dbraw/zinc/86/55/40/1375865540.db2.gz SLKQMHDCNBVMTJ-UHFFFAOYSA-N 1 0 347.802 3.076 20 5 EGBDRO Cc1cc(Cl)ccc1C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001133249133 1375869129 /nfs/dbraw/zinc/86/91/29/1375869129.db2.gz ZALCKSWGVWXRCV-UHFFFAOYSA-N 1 0 347.802 3.076 20 5 EGBDRO Cc1cc(OC[C@@H]2CCC3(CC[NH+](C)CC3)O2)cc([N+](=O)[O-])c1C ZINC001230471909 1376033874 /nfs/dbraw/zinc/03/38/74/1376033874.db2.gz VAMICFUAUREPKW-HNNXBMFYSA-N 1 0 334.416 3.234 20 5 EGBDRO Cc1oc(C(C)C)cc1C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001146338240 1378820496 /nfs/dbraw/zinc/82/04/96/1378820496.db2.gz JNBFZJODTPRDOP-UHFFFAOYSA-N 1 0 345.399 3.139 20 5 EGBDRO O=[N+]([O-])c1ccc2c(cnn2C[NH+]2CCC([C@@H]3CCCCO3)CC2)c1 ZINC001327678613 1388577757 /nfs/dbraw/zinc/57/77/57/1388577757.db2.gz LEDZUMPMDIQFJI-SFHVURJKSA-N 1 0 344.415 3.183 20 5 EGBDRO O=[N+]([O-])c1ccc2c(cnn2C[NH+]2CCC([C@H]3CCCCO3)CC2)c1 ZINC001327678612 1388577560 /nfs/dbraw/zinc/57/75/60/1388577560.db2.gz LEDZUMPMDIQFJI-GOSISDBHSA-N 1 0 344.415 3.183 20 5 EGBDRO C[C@@H]1C[C@@H](Nc2ncnc3c(Cl)cc([N+](=O)[O-])cc23)CC[N@@H+]1C ZINC001327687698 1388583547 /nfs/dbraw/zinc/58/35/47/1388583547.db2.gz JRAWAALIODQAHR-ZJUUUORDSA-N 1 0 335.795 3.086 20 5 EGBDRO CCc1sc(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1C ZINC001150317345 1379532523 /nfs/dbraw/zinc/53/25/23/1379532523.db2.gz RLFZRRAIWWJNIC-UHFFFAOYSA-N 1 0 347.440 3.047 20 5 EGBDRO C[C@H]1C[NH2+]CCC[C@H]1CNc1nc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001155022877 1380393440 /nfs/dbraw/zinc/39/34/40/1380393440.db2.gz BTMPPHHXDLPAFN-IUCAKERBSA-N 1 0 333.219 3.344 20 5 EGBDRO C[C@@H]1C[NH2+]CCC[C@@H]1CNc1nc(Cl)nc2ccc([N+](=O)[O-])cc21 ZINC001155025966 1380393840 /nfs/dbraw/zinc/39/38/40/1380393840.db2.gz QYNANFWNZWQADC-GHMZBOCLSA-N 1 0 349.822 3.239 20 5 EGBDRO Cc1cc(Cl)nc(N2CC[NH2+]C[C@H]2c2cccs2)c1[N+](=O)[O-] ZINC001156098932 1380525527 /nfs/dbraw/zinc/52/55/27/1380525527.db2.gz TUWICHJPULGXJS-JTQLQIEISA-N 1 0 338.820 3.164 20 5 EGBDRO CCc1cc(N(CCC[NH3+])C(C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001156124532 1380528688 /nfs/dbraw/zinc/52/86/88/1380528688.db2.gz VARXHULVAFABMO-UHFFFAOYSA-N 1 0 343.431 3.178 20 5 EGBDRO CN(c1ccc2c(ccc(Cl)c2[N+](=O)[O-])n1)[C@]1(C)CCC[NH2+]C1 ZINC001156968839 1380739313 /nfs/dbraw/zinc/73/93/13/1380739313.db2.gz YBLRUCOXSPIXRS-MRXNPFEDSA-N 1 0 334.807 3.375 20 5 EGBDRO C[N@@H+]1CCC[C@H]2CN(c3cc4ccc(Cl)nc4cc3[N+](=O)[O-])C[C@H]21 ZINC001157282099 1380832888 /nfs/dbraw/zinc/83/28/88/1380832888.db2.gz LYENWNXWBBFDMJ-BLLLJJGKSA-N 1 0 346.818 3.327 20 5 EGBDRO Cc1cnc(N(Cc2ccccc2)[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001157427640 1380886087 /nfs/dbraw/zinc/88/60/87/1380886087.db2.gz ZTNJKMPMZNJZDY-INIZCTEOSA-N 1 0 326.400 3.057 20 5 EGBDRO O=[N+]([O-])c1ccc2ccc(N3CCCC[C@@]34CCC[NH2+]C4)nc2c1 ZINC001157472505 1380922486 /nfs/dbraw/zinc/92/24/86/1380922486.db2.gz YRBLRPXIMXPWTD-SFHVURJKSA-N 1 0 326.400 3.256 20 5 EGBDRO CC(C)(C)CN(c1ncnc2cc([N+](=O)[O-])ccc21)C1CC[NH2+]CC1 ZINC001157883732 1381059357 /nfs/dbraw/zinc/05/93/57/1381059357.db2.gz BWQTXAWPJHDHPT-UHFFFAOYSA-N 1 0 343.431 3.143 20 5 EGBDRO C[N@@H+]1CCN(c2nc(Cl)c(Cl)cc2[N+](=O)[O-])C2(CCCC2)C1 ZINC001158409220 1381233974 /nfs/dbraw/zinc/23/39/74/1381233974.db2.gz XDEKXEQHUHQIAJ-UHFFFAOYSA-N 1 0 345.230 3.361 20 5 EGBDRO Cc1cc([N+](=O)[O-])cnc1N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001158523111 1381281467 /nfs/dbraw/zinc/28/14/67/1381281467.db2.gz GOLNBDMQSDFBEU-HZPDHXFCSA-N 1 0 340.427 3.397 20 5 EGBDRO C[C@]1(C[NH3+])CCCN(c2nc3ccccc3c(Cl)c2[N+](=O)[O-])C1 ZINC001158676177 1381347445 /nfs/dbraw/zinc/34/74/45/1381347445.db2.gz XNRVAVWLOAPWOJ-MRXNPFEDSA-N 1 0 334.807 3.362 20 5 EGBDRO COc1ncc(Nc2ccc(C3CC[NH2+]CC3)cc2)cc1[N+](=O)[O-] ZINC001159598044 1381842634 /nfs/dbraw/zinc/84/26/34/1381842634.db2.gz DGTUVCIACCAAIQ-UHFFFAOYSA-N 1 0 328.372 3.209 20 5 EGBDRO O=[N+]([O-])c1cc(O)cc(Nc2ccc(N3CC[NH2+]CC3)c(Cl)c2)c1 ZINC001159859292 1381922307 /nfs/dbraw/zinc/92/23/07/1381922307.db2.gz SUNPDYPBLBNPAI-UHFFFAOYSA-N 1 0 348.790 3.107 20 5 EGBDRO COc1ccc(Nc2ccc(O[C@@H]3CC[NH2+]C3)cc2)cc1[N+](=O)[O-] ZINC001159921718 1381937022 /nfs/dbraw/zinc/93/70/22/1381937022.db2.gz DKXOILAZECIFIQ-OAHLLOKOSA-N 1 0 329.356 3.088 20 5 EGBDRO O=[N+]([O-])c1cc(O)cc(Nc2ccc(O[C@@H]3CCC[NH2+]C3)cc2)c1 ZINC001159949488 1381947242 /nfs/dbraw/zinc/94/72/42/1381947242.db2.gz PKLOODBBUIDVOE-QGZVFWFLSA-N 1 0 329.356 3.175 20 5 EGBDRO COc1cc(-n2cc(C[C@H](C)[NH3+])c3ccc(C)cc32)ncc1[N+](=O)[O-] ZINC001160011561 1381966755 /nfs/dbraw/zinc/96/67/55/1381966755.db2.gz NWUNJROYORHFGD-LBPRGKRZSA-N 1 0 340.383 3.140 20 5 EGBDRO O=[N+]([O-])c1cc(F)cc(Nc2cccc(F)c2N2CC[NH2+]CC2)c1 ZINC001160116098 1382001375 /nfs/dbraw/zinc/00/13/75/1382001375.db2.gz OMHSNTSGTYGWSK-UHFFFAOYSA-N 1 0 334.326 3.026 20 5 EGBDRO O=[N+]([O-])c1cccc(Nc2cc(F)ccc2O[C@@H]2CC[NH2+]C2)c1F ZINC001160141389 1382013181 /nfs/dbraw/zinc/01/31/81/1382013181.db2.gz LVJOSJOSJRZOLQ-LLVKDONJSA-N 1 0 335.310 3.357 20 5 EGBDRO CC1(C(=O)NCCC2=CC[N@H+](Cc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001160202734 1382032201 /nfs/dbraw/zinc/03/22/01/1382032201.db2.gz RBQNGQXVUWIKHE-UHFFFAOYSA-N 1 0 343.427 3.033 20 5 EGBDRO CC[C@H](C)C1CCC(Nc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)CC1 ZINC001160669057 1382165891 /nfs/dbraw/zinc/16/58/91/1382165891.db2.gz PUUQBCUWRLAPJU-DCBWTQNWSA-N 1 0 333.436 3.088 20 5 EGBDRO CN(Cc1c2ccccc2cc2ccccc21)C(=O)C[C@@H]1COCC[NH2+]1 ZINC001160737262 1382182174 /nfs/dbraw/zinc/18/21/74/1382182174.db2.gz CVJWJWCVCATROL-GOSISDBHSA-N 1 0 348.446 3.330 20 5 EGBDRO CC(C)Oc1nc(N[C@H]2CC[N@H+](CC3CCCC3)C2)ccc1[N+](=O)[O-] ZINC001161187400 1382332219 /nfs/dbraw/zinc/33/22/19/1382332219.db2.gz NYKHOBVIOPYVBK-HNNXBMFYSA-N 1 0 348.447 3.453 20 5 EGBDRO Cc1cc([N+](=O)[O-])cnc1Nc1ccc(Br)cc1C[NH3+] ZINC001161851471 1382529322 /nfs/dbraw/zinc/52/93/22/1382529322.db2.gz AAQJOFZFHBTUDG-UHFFFAOYSA-N 1 0 337.177 3.263 20 5 EGBDRO COc1cnc(NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC001161885657 1382540635 /nfs/dbraw/zinc/54/06/35/1382540635.db2.gz XAXYKBIQLSENAT-HNNXBMFYSA-N 1 0 342.399 3.075 20 5 EGBDRO COc1ccc(N(CC[NH3+])c2cccc3ccccc32)nc1[N+](=O)[O-] ZINC001161999865 1382594823 /nfs/dbraw/zinc/59/48/23/1382594823.db2.gz VEJGIXKXLZOADL-UHFFFAOYSA-N 1 0 338.367 3.248 20 5 EGBDRO COc1cnc(N(CC2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)c([N+](=O)[O-])c1 ZINC001162186778 1382652327 /nfs/dbraw/zinc/65/23/27/1382652327.db2.gz WNJVLNRBENCDBA-SHTZXODSSA-N 1 0 348.447 3.265 20 5 EGBDRO [NH3+][C@H]1CCC[C@@H](Nc2c(Br)cc(F)cc2[N+](=O)[O-])C1 ZINC001162397047 1382747515 /nfs/dbraw/zinc/74/75/15/1382747515.db2.gz QBKFYYCXOXOADT-DTWKUNHWSA-N 1 0 332.173 3.178 20 5 EGBDRO O=[N+]([O-])/C=C/c1ccc(Cl)cc1NC[C@@]1(F)CCCC[NH2+]C1 ZINC001162587557 1382800079 /nfs/dbraw/zinc/80/00/79/1382800079.db2.gz UESSFBLJIOBFOF-SBJJXXPASA-N 1 0 327.787 3.481 20 5 EGBDRO CCOc1cc(-n2c3ccccc3nc2[C@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC001162777637 1382869133 /nfs/dbraw/zinc/86/91/33/1382869133.db2.gz DLASOCNFQGUXFB-NSHDSACASA-N 1 0 326.356 3.352 20 5 EGBDRO O=[N+]([O-])c1cc2c(nc1NCc1ccc3c(c1)CC[NH2+]C3)CCCC2 ZINC001162801743 1382877181 /nfs/dbraw/zinc/87/71/81/1382877181.db2.gz GFEUCICWOPOOKE-UHFFFAOYSA-N 1 0 338.411 3.126 20 5 EGBDRO CCOc1cc([N+](=O)[O-])ccc1NCc1ccc2c(c1)CC[NH2+]C2 ZINC001162810444 1382880526 /nfs/dbraw/zinc/88/05/26/1382880526.db2.gz UTZMYRVQDNEXIF-UHFFFAOYSA-N 1 0 327.384 3.251 20 5 EGBDRO COC(=O)c1ccc([N+](=O)[O-])c(-n2ccc3cc([C@H](C)[NH3+])ccc32)c1 ZINC001162913877 1382914702 /nfs/dbraw/zinc/91/47/02/1382914702.db2.gz MMUHRUVYZLKLTO-NSHDSACASA-N 1 0 339.351 3.345 20 5 EGBDRO Cc1ccc2c(c1)[C@@H](Nc1ccc([N+](=O)[O-])cn1)CC21CC[NH2+]CC1 ZINC001163027568 1382950883 /nfs/dbraw/zinc/95/08/83/1382950883.db2.gz PCYZOADUUWLZOK-KRWDZBQOSA-N 1 0 338.411 3.476 20 5 EGBDRO CCCC(C[NH3+])(CCC)Nc1nc(Cl)nc(Cl)c1[N+](=O)[O-] ZINC001163038960 1382952763 /nfs/dbraw/zinc/95/27/63/1382952763.db2.gz WNMCJERIVBCKJH-UHFFFAOYSA-N 1 0 336.223 3.401 20 5 EGBDRO CCOC(=O)c1ccc(N[C@@H]2C[NH2+]Cc3ccsc32)c([N+](=O)[O-])c1 ZINC001163231710 1383001466 /nfs/dbraw/zinc/00/14/66/1383001466.db2.gz YDYYMDLMATUJAD-CYBMUJFWSA-N 1 0 347.396 3.089 20 5 EGBDRO [NH3+]C[C@@H](Nc1nc(Cl)nc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC001163293887 1383013855 /nfs/dbraw/zinc/01/38/55/1383013855.db2.gz ACLBLSFUMQNJQO-CQSZACIVSA-N 1 0 343.774 3.303 20 5 EGBDRO COc1cccc([C@H](C[NH3+])Nc2nccc3ccc([N+](=O)[O-])cc32)c1 ZINC001163309612 1383018511 /nfs/dbraw/zinc/01/85/11/1383018511.db2.gz NDPUEQQAJILREE-KRWDZBQOSA-N 1 0 338.367 3.264 20 5 EGBDRO C[C@]1(C[NH3+])CCCN(c2cc([N+](=O)[O-])cc3c(Cl)ncnc32)CC1 ZINC001164250485 1383171228 /nfs/dbraw/zinc/17/12/28/1383171228.db2.gz OZWOBOQKFRZTMD-INIZCTEOSA-N 1 0 349.822 3.147 20 5 EGBDRO O=[N+]([O-])c1cccc2cnc(NCC3C[NH+](Cc4ccccc4)C3)nc21 ZINC001165443208 1383297521 /nfs/dbraw/zinc/29/75/21/1383297521.db2.gz XSSGQBIUPHVCKU-UHFFFAOYSA-N 1 0 349.394 3.082 20 5 EGBDRO CN1CCc2c(c([N+](=O)[O-])ccc2N2C(C)(C)CC([NH3+])CC2(C)C)C1 ZINC001167626308 1383692634 /nfs/dbraw/zinc/69/26/34/1383692634.db2.gz FKDIQSLGJTYWGO-UHFFFAOYSA-N 1 0 346.475 3.067 20 5 EGBDRO [NH3+]CC[C@H]1CN(c2nc3c(cc2[N+](=O)[O-])CCCC3)c2ccccc21 ZINC001168544394 1383934016 /nfs/dbraw/zinc/93/40/16/1383934016.db2.gz OKYMENJEVREBSQ-AWEZNQCLSA-N 1 0 338.411 3.453 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(Br)cc2F)C1 ZINC001168955768 1384070648 /nfs/dbraw/zinc/07/06/48/1384070648.db2.gz CCWWVRAKSWLWGV-BXKDBHETSA-N 1 0 331.185 3.123 20 5 EGBDRO C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CCN1Cc1ccccc1 ZINC001168966010 1384072721 /nfs/dbraw/zinc/07/27/21/1384072721.db2.gz FRJRVIHEZXKRIP-OQIJWPOYSA-N 1 0 331.460 3.075 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H](CO)c2ccc(Cl)cc2Cl)C1 ZINC001168976750 1384076845 /nfs/dbraw/zinc/07/68/45/1384076845.db2.gz GBLLWJJFJCANIC-GLXFQSAKSA-N 1 0 333.215 3.062 20 5 EGBDRO [NH3+]CCCc1nc2ccc(Cl)cc2n1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168979222 1384077620 /nfs/dbraw/zinc/07/76/20/1384077620.db2.gz XFWULAFODOCYQF-DGCLKSJQSA-N 1 0 336.823 3.199 20 5 EGBDRO Cc1cc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)ccc1Br ZINC001168987216 1384080000 /nfs/dbraw/zinc/08/00/00/1384080000.db2.gz HPZKCVFOMKUOCX-QWHCGFSZSA-N 1 0 327.222 3.293 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2cn(Cc3ccccc3Cl)cn2)C1 ZINC001168998087 1384082726 /nfs/dbraw/zinc/08/27/26/1384082726.db2.gz IBUINHIVDAKZRN-DZGCQCFKSA-N 1 0 348.834 3.120 20 5 EGBDRO COc1cccc(CC2(C[NH2+][C@H]3CC[C@@H](C[N+](=O)[O-])C3)CCC2)c1 ZINC001169000306 1384084354 /nfs/dbraw/zinc/08/43/54/1384084354.db2.gz XKQUMTWSSFEETE-SJORKVTESA-N 1 0 332.444 3.443 20 5 EGBDRO O=C1CC2(CC[NH+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)c2cc(F)ccc21 ZINC001169013988 1384089958 /nfs/dbraw/zinc/08/99/58/1384089958.db2.gz XITONBWWOUPGCU-UKRRQHHQSA-N 1 0 346.402 3.191 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2Cc3cccc(Br)c3C2)C1 ZINC001169036309 1384096332 /nfs/dbraw/zinc/09/63/32/1384096332.db2.gz NIAGSOPIUZQYLU-JQWIXIFHSA-N 1 0 325.206 3.210 20 5 EGBDRO COc1cccc(CC2CC[NH+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)c1 ZINC001169037139 1384097432 /nfs/dbraw/zinc/09/74/32/1384097432.db2.gz JCXDLGBLYKXKNN-MSOLQXFVSA-N 1 0 332.444 3.395 20 5 EGBDRO CC[N@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001169039455 1384098002 /nfs/dbraw/zinc/09/80/02/1384098002.db2.gz PMRMOCKNNMAYIZ-IPMKNSEASA-N 1 0 331.460 3.028 20 5 EGBDRO COc1ccccc1OCC1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169042152 1384098333 /nfs/dbraw/zinc/09/83/33/1384098333.db2.gz DEPWRQJJBBDIQD-DLBZAZTESA-N 1 0 348.443 3.231 20 5 EGBDRO CCOc1ccc(NC2CC[NH+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)cc1 ZINC001169042134 1384098659 /nfs/dbraw/zinc/09/86/59/1384098659.db2.gz CZPNMJNBDHBUGK-QAPCUYQASA-N 1 0 347.459 3.407 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCCC3(CN(Cc4ccccc4)C3)C2)C1 ZINC001169042858 1384099488 /nfs/dbraw/zinc/09/94/88/1384099488.db2.gz GORYILDTSFQBKK-RTBURBONSA-N 1 0 343.471 3.030 20 5 EGBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)c1 ZINC001169151398 1384115387 /nfs/dbraw/zinc/11/53/87/1384115387.db2.gz JFUOTHNEDIOADG-UGSOOPFHSA-N 1 0 349.431 3.337 20 5 EGBDRO COc1ccc([N+](=O)[O-])nc1N1CCC[C@@H]([NH3+])c2cc(C)ccc21 ZINC001169697585 1384174774 /nfs/dbraw/zinc/17/47/74/1384174774.db2.gz NZOUQNMWIMSDOU-CYBMUJFWSA-N 1 0 328.372 3.239 20 5 EGBDRO CCC1(C(=O)NCCC[NH2+]Cc2csc([N+](=O)[O-])c2)CCCC1 ZINC001169856725 1384191932 /nfs/dbraw/zinc/19/19/32/1384191932.db2.gz VFFXASRECOGJIH-UHFFFAOYSA-N 1 0 339.461 3.223 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+]Cc2cnccc2Cl)c([N+](=O)[O-])c1 ZINC001170300091 1384285282 /nfs/dbraw/zinc/28/52/82/1384285282.db2.gz WULVWEFPRSGHTJ-NSHDSACASA-N 1 0 335.791 3.373 20 5 EGBDRO COc1ccc(C[C@@H](C)n2ncc3c2cccc3C[NH3+])c([N+](=O)[O-])c1 ZINC001170305523 1384287092 /nfs/dbraw/zinc/28/70/92/1384287092.db2.gz MJSGIWWHOMHVDC-GFCCVEGCSA-N 1 0 340.383 3.216 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2cccc(Cl)n2)c([N+](=O)[O-])c1 ZINC001170307827 1384287701 /nfs/dbraw/zinc/28/77/01/1384287701.db2.gz IMAHKLUZVMZTOE-LLVKDONJSA-N 1 0 335.791 3.373 20 5 EGBDRO COc1ccc(C[NH2+][C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])c(F)c1 ZINC001170317014 1384289425 /nfs/dbraw/zinc/28/94/25/1384289425.db2.gz BKWJYTREVHMWKU-LBPRGKRZSA-N 1 0 348.374 3.472 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CCOC(C)(C)C2)c([N+](=O)[O-])c1 ZINC001170322884 1384290636 /nfs/dbraw/zinc/29/06/36/1384290636.db2.gz IADUKGQKJQPXPO-UONOGXRCSA-N 1 0 336.432 3.329 20 5 EGBDRO COc1ccc(C[C@@H](C)[N@@H+]2CCC[C@@](C)(CO)CC2)c([N+](=O)[O-])c1 ZINC001170335499 1384294424 /nfs/dbraw/zinc/29/44/24/1384294424.db2.gz ORKQHXVRSPUIGF-RDTXWAMCSA-N 1 0 336.432 3.019 20 5 EGBDRO COc1ccc(C[C@H](C)[NH+]2CCC3(C[C@@H]3CCO)CC2)c([N+](=O)[O-])c1 ZINC001170335964 1384294596 /nfs/dbraw/zinc/29/45/96/1384294596.db2.gz SESJWVANIGPGHV-HOCLYGCPSA-N 1 0 348.443 3.019 20 5 EGBDRO CCOC(=O)C1=C(Nc2cc3cccnc3c3ncccc23)CC[NH2+]C1 ZINC001170520279 1384334382 /nfs/dbraw/zinc/33/43/82/1384334382.db2.gz FOXMSIVZNBNQBW-UHFFFAOYSA-N 1 0 348.406 3.005 20 5 EGBDRO Cc1ccc2c(C[C@@H](C)[NH3+])cn(-c3cccc4ncc([N+](=O)[O-])n43)c2c1 ZINC001171169144 1384459456 /nfs/dbraw/zinc/45/94/56/1384459456.db2.gz YZCCXQZLHSBRMM-CYBMUJFWSA-N 1 0 349.394 3.385 20 5 EGBDRO C[N@H+](CCc1ccncc1)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172914841 1384877406 /nfs/dbraw/zinc/87/74/06/1384877406.db2.gz KINPXZVBAZZIPL-GOSISDBHSA-N 1 0 325.412 3.412 20 5 EGBDRO Cc1ncc(C[N@@H+](C)[C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)cn1 ZINC001172921007 1384878957 /nfs/dbraw/zinc/87/89/57/1384878957.db2.gz NUVAQUJCFYAVIX-KRWDZBQOSA-N 1 0 326.400 3.073 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH+]1CCC3(C[C@@H](F)CO3)CC1)CC2 ZINC001172921835 1384879646 /nfs/dbraw/zinc/87/96/46/1384879646.db2.gz UONZPPPDYYQIJF-SJORKVTESA-N 1 0 348.418 3.435 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H](N1CC([NH+]3CCCCC3)C1)CC2 ZINC001172921668 1384879658 /nfs/dbraw/zinc/87/96/58/1384879658.db2.gz QPMCIDLBHNAHKF-KRWDZBQOSA-N 1 0 329.444 3.012 20 5 EGBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH2+][C@H]3C[C@H]3C3CC3)CC2)c(F)c1 ZINC001173013944 1384897849 /nfs/dbraw/zinc/89/78/49/1384897849.db2.gz IHICDNPSGUQRQT-BBRMVZONSA-N 1 0 337.370 3.230 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@@H](C)c2ccccn2)c1F ZINC001173176648 1384931680 /nfs/dbraw/zinc/93/16/80/1384931680.db2.gz LEPPERHNENZPHR-RYUDHWBXSA-N 1 0 333.363 3.419 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C[C@@H]2CC[C@@H](F)C2)c1F ZINC001173175577 1384931719 /nfs/dbraw/zinc/93/17/19/1384931719.db2.gz POCIJGWZNWZEMX-IJLUTSLNSA-N 1 0 328.359 3.401 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@H](C)c2cscn2)c1F ZINC001173179162 1384932711 /nfs/dbraw/zinc/93/27/11/1384932711.db2.gz NRTZYACNFWOEEY-VHSXEESVSA-N 1 0 339.392 3.481 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+](C)CCc2ccccn2)c1F ZINC001173186823 1384933547 /nfs/dbraw/zinc/93/35/47/1384933547.db2.gz VLOBIAYFINBUDA-ZDUSSCGKSA-N 1 0 347.390 3.243 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CCC[C@@H](OC)CC2)c1F ZINC001173197358 1384934080 /nfs/dbraw/zinc/93/40/80/1384934080.db2.gz UKCWBFUIOAIKHQ-QWHCGFSZSA-N 1 0 340.395 3.174 20 5 EGBDRO COc1ccc(C(=O)C[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001173213932 1384936862 /nfs/dbraw/zinc/93/68/62/1384936862.db2.gz JJAVJFIMVVLEPH-ZDUSSCGKSA-N 1 0 328.368 3.007 20 5 EGBDRO COc1cccc(C[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)c1OC ZINC001173217320 1384937568 /nfs/dbraw/zinc/93/75/68/1384937568.db2.gz SZNDGQGQAAWBEX-ZDUSSCGKSA-N 1 0 330.384 3.333 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](CO)c1cc(F)cc(F)c1 ZINC001173218210 1384937755 /nfs/dbraw/zinc/93/77/55/1384937755.db2.gz CAQHLUNVGJINPL-DIFFPNOSSA-N 1 0 336.338 3.127 20 5 EGBDRO COc1cccc([C@H](CCO)[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001173215731 1384937759 /nfs/dbraw/zinc/93/77/59/1384937759.db2.gz ZAQHSEZCDCSFHG-LIRRHRJNSA-N 1 0 344.411 3.248 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cccc2c1OCCO2 ZINC001173219036 1384938090 /nfs/dbraw/zinc/93/80/90/1384938090.db2.gz VHRSLCFZGIEGFA-ZDUSSCGKSA-N 1 0 328.368 3.087 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cnc2ccc(F)cn12 ZINC001173223589 1384939237 /nfs/dbraw/zinc/93/92/37/1384939237.db2.gz BFFWMKPQTUYTPA-LBPRGKRZSA-N 1 0 328.347 3.102 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCCN(c2ccccn2)C1 ZINC001173224221 1384939272 /nfs/dbraw/zinc/93/92/72/1384939272.db2.gz MSOJUNFRNGRIDA-WBVHZDCISA-N 1 0 340.427 3.179 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCN(c2cccc(F)c2)CC1 ZINC001173230748 1384940553 /nfs/dbraw/zinc/94/05/53/1384940553.db2.gz FJYQUVSCZIBHEG-HNNXBMFYSA-N 1 0 343.402 3.487 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC001173228946 1384940954 /nfs/dbraw/zinc/94/09/54/1384940954.db2.gz OFZMLUIHUZVOAX-OAHLLOKOSA-N 1 0 343.402 3.487 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](CO)Cc1ccccc1Cl ZINC001173233887 1384941583 /nfs/dbraw/zinc/94/15/83/1384941583.db2.gz KRNALBUDNUUAGS-CZUORRHYSA-N 1 0 348.830 3.372 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCC(C)([NH+]2CCCC2)CC1 ZINC001173233356 1384941751 /nfs/dbraw/zinc/94/17/51/1384941751.db2.gz VSOVKHXBGUGSID-INIZCTEOSA-N 1 0 331.460 3.476 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc(OC(F)F)nc1 ZINC001173236097 1384941928 /nfs/dbraw/zinc/94/19/28/1384941928.db2.gz WODQSPMIAUYEPT-NSHDSACASA-N 1 0 337.326 3.312 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](Oc2ccncc2)C1 ZINC001173236872 1384942171 /nfs/dbraw/zinc/94/21/71/1384942171.db2.gz FPTNAVJOZNTMQK-DNVCBOLYSA-N 1 0 341.411 3.464 20 5 EGBDRO Cc1cccnc1O[C@H]1CC[N@@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173238359 1384942928 /nfs/dbraw/zinc/94/29/28/1384942928.db2.gz QLONOXSLFANDER-YJBOKZPZSA-N 1 0 341.411 3.383 20 5 EGBDRO Cc1cc(N2CC[NH+](C)CC2)ccc1Nc1ccc([N+](=O)[O-])cc1 ZINC001174478512 1385112730 /nfs/dbraw/zinc/11/27/30/1385112730.db2.gz MKALROWMEOEYKN-UHFFFAOYSA-N 1 0 326.400 3.399 20 5 EGBDRO CC(=O)N(CCC[NH2+]Cc1csc([N+](=O)[O-])c1)CC1CCCC1 ZINC001177174035 1385844797 /nfs/dbraw/zinc/84/47/97/1385844797.db2.gz ASOXQFDFVPBNSA-UHFFFAOYSA-N 1 0 339.461 3.175 20 5 EGBDRO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC001319159780 1385987193 /nfs/dbraw/zinc/98/71/93/1385987193.db2.gz JSBPCIIBPAWYEV-JKSUJKDBSA-N 1 0 348.447 3.002 20 5 EGBDRO C[N@H+](CCC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)C1CCCCC1 ZINC001321037460 1386791461 /nfs/dbraw/zinc/79/14/61/1386791461.db2.gz OYTFKQLWYJYKFE-UHFFFAOYSA-N 1 0 331.416 3.092 20 5 EGBDRO Cc1ccc([C@@H](C)NC(=O)N2CC[NH+](C(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC001322385698 1387176377 /nfs/dbraw/zinc/17/63/77/1387176377.db2.gz MLQRIFAXDZKVNG-CQSZACIVSA-N 1 0 348.447 3.090 20 5 EGBDRO CC[NH+](CC)C1CCN(c2ccnc3ccc([N+](=O)[O-])cc32)CC1 ZINC001329351211 1389072368 /nfs/dbraw/zinc/07/23/68/1389072368.db2.gz ZWHUUQLZDZQAAI-UHFFFAOYSA-N 1 0 328.416 3.454 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1-c1noc([C@@H]2C[C@]23CCC[NH2+]C3)n1 ZINC001329950607 1389270608 /nfs/dbraw/zinc/27/06/08/1389270608.db2.gz OLTVGNFBBXJLPE-GUYCJALGSA-N 1 0 328.372 3.119 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2ncn(C[N@@H+]3CC[C@@H]4CCCC[C@@H]4C3)n2)c1 ZINC001338782557 1389762227 /nfs/dbraw/zinc/76/22/27/1389762227.db2.gz RUCTVYJOHLDBEO-GOEBONIOSA-N 1 0 341.415 3.323 20 5 EGBDRO COc1c(O)ccc(C[NH2+][C@@H]2C[C@@H]2Cc2ccccc2)c1[N+](=O)[O-] ZINC001333743800 1390390501 /nfs/dbraw/zinc/39/05/01/1390390501.db2.gz YKSXJLQNQNEQAU-LSDHHAIUSA-N 1 0 328.368 3.030 20 5 EGBDRO Cc1cc(CN2CCCN(c3cc(C)c([N+](=O)[O-])cc3F)CC2)no1 ZINC001343629666 1390727505 /nfs/dbraw/zinc/72/75/05/1390727505.db2.gz JCTFLVVVGLLTMW-UHFFFAOYSA-N 1 0 348.378 3.051 20 5 EGBDRO CC[NH+](CC)[C@H](CNc1c(C)cncc1[N+](=O)[O-])c1ccsc1 ZINC001346019291 1390901399 /nfs/dbraw/zinc/90/13/99/1390901399.db2.gz ZMHOFAOEGQGLCK-CQSZACIVSA-N 1 0 334.445 3.277 20 5 EGBDRO CC(C)C[N@H+](CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC001348443094 1391220552 /nfs/dbraw/zinc/22/05/52/1391220552.db2.gz QGHWKBNBDSSVIU-UHFFFAOYSA-N 1 0 325.796 3.307 20 5 EGBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000351508911 719252828 /nfs/dbraw/zinc/25/28/28/719252828.db2.gz JIZDXYCYPBDLOS-ZIAGYGMSSA-N 1 0 326.400 3.186 20 5 EGBDRO C[NH+](C)[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C1 ZINC000090089493 721898685 /nfs/dbraw/zinc/89/86/85/721898685.db2.gz PFPXPKQIRZRDQY-OAHLLOKOSA-N 1 0 326.400 3.187 20 5 EGBDRO C[NH+](C)CC1CCN(c2nc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC001165042924 721945135 /nfs/dbraw/zinc/94/51/35/721945135.db2.gz ZGBQINDYGNHURH-UHFFFAOYSA-N 1 0 333.219 3.075 20 5 EGBDRO Cn1nccc1[C@H]1CCC[C@H]([NH2+]CCc2ccccc2[N+](=O)[O-])C1 ZINC000368453460 168358131 /nfs/dbraw/zinc/35/81/31/168358131.db2.gz GHSXIIKJGRXODV-HOTGVXAUSA-N 1 0 328.416 3.187 20 5 EGBDRO O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)c1ccc([N+](=O)[O-])o1 ZINC000056326100 214371139 /nfs/dbraw/zinc/37/11/39/214371139.db2.gz FHTUZWPMLRAFLE-UHFFFAOYSA-N 1 0 329.356 3.078 20 5 EGBDRO C[NH+]1CCC(CCNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000129785778 530048946 /nfs/dbraw/zinc/04/89/46/530048946.db2.gz ABHVHGKBFXBBIN-UHFFFAOYSA-N 1 0 340.811 3.102 20 5 EGBDRO C[C@H](CO[C@H]1CCOC1)[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000130463676 223154763 /nfs/dbraw/zinc/15/47/63/223154763.db2.gz BXSLTZGICOQMJQ-XYVMCAHJSA-N 1 0 348.443 3.090 20 5 EGBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3cccc(O)c3)CC2)cc1 ZINC000130738674 223173283 /nfs/dbraw/zinc/17/32/83/223173283.db2.gz QMZOIAFDZQJNGD-UHFFFAOYSA-N 1 0 328.368 3.344 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CC[C@@H](C[NH+]3CCCC3)C2)c2ccncc21 ZINC000131710601 223261968 /nfs/dbraw/zinc/26/19/68/223261968.db2.gz AOEIMKKYYMYBGU-AWEZNQCLSA-N 1 0 326.400 3.065 20 5 EGBDRO Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H]3CCC[C@@H]32)cccc1[N+](=O)[O-] ZINC000072693544 216294087 /nfs/dbraw/zinc/29/40/87/216294087.db2.gz SJVAUPAOSFDVNK-YOEHRIQHSA-N 1 0 331.416 3.496 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC([NH2+]C(C)C)CC1 ZINC000191356164 239062535 /nfs/dbraw/zinc/06/25/35/239062535.db2.gz DFNQRSCCYZLCCJ-UHFFFAOYSA-N 1 0 334.420 3.206 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](CC1CCC1)C(C)C ZINC000193201808 240055886 /nfs/dbraw/zinc/05/58/86/240055886.db2.gz XJJIXHQRKJUTBJ-UHFFFAOYSA-N 1 0 335.404 3.052 20 5 EGBDRO CC(C)(C)[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000193609492 240232254 /nfs/dbraw/zinc/23/22/54/240232254.db2.gz YCAMXZBMKHFGBZ-UHFFFAOYSA-N 1 0 339.823 3.241 20 5 EGBDRO CC(C)(C)OC(=O)NC(C)(C)C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000227602065 242132627 /nfs/dbraw/zinc/13/26/27/242132627.db2.gz OKVMRPBFCVGLJO-UHFFFAOYSA-N 1 0 329.422 3.049 20 5 EGBDRO O=C(NCCCCC[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000110436203 220036482 /nfs/dbraw/zinc/03/64/82/220036482.db2.gz YUKZPQZNRCIRTI-UHFFFAOYSA-N 1 0 337.395 3.120 20 5 EGBDRO C[C@@H](Cn1ccnc1)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000264968949 247095732 /nfs/dbraw/zinc/09/57/32/247095732.db2.gz QHUFSEYLFBMPKU-LBPRGKRZSA-N 1 0 343.412 3.093 20 5 EGBDRO Cc1cc([C@@](C)(O)C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])c(C)o1 ZINC000266155259 248135087 /nfs/dbraw/zinc/13/50/87/248135087.db2.gz LPCNZAKWDFJWBO-INIZCTEOSA-N 1 0 338.791 3.455 20 5 EGBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000266219005 248182278 /nfs/dbraw/zinc/18/22/78/248182278.db2.gz YZKILNXCVXCGJA-INIZCTEOSA-N 1 0 347.459 3.205 20 5 EGBDRO Cc1nc(C[C@@H]2CCC[N@@H+]([C@@H](C)c3ccccc3[N+](=O)[O-])C2)no1 ZINC000266522375 248343874 /nfs/dbraw/zinc/34/38/74/248343874.db2.gz IVJMWXINGHYIKQ-JSGCOSHPSA-N 1 0 330.388 3.302 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCCN(c2nccs2)CC1 ZINC000092482400 218144310 /nfs/dbraw/zinc/14/43/10/218144310.db2.gz OHEDGOYQZWYOAY-ZZXKWVIFSA-N 1 0 344.440 3.277 20 5 EGBDRO COc1ccc(OCC[N@H+](Cc2ccncc2)C2CC2)c([N+](=O)[O-])c1 ZINC000093222265 218205616 /nfs/dbraw/zinc/20/56/16/218205616.db2.gz GIMOJIWOQBYTBH-UHFFFAOYSA-N 1 0 343.383 3.042 20 5 EGBDRO COc1ccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000267414372 251037187 /nfs/dbraw/zinc/03/71/87/251037187.db2.gz IZNFFEKUKCVFKL-LLVKDONJSA-N 1 0 331.328 3.362 20 5 EGBDRO C[C@H](O)C[C@H]1CCC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000153222134 224075358 /nfs/dbraw/zinc/07/53/58/224075358.db2.gz MWECNIAAPQCFFG-DZGCQCFKSA-N 1 0 345.399 3.028 20 5 EGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCC([NH2+]C2CC2)CC1 ZINC000269297992 285085293 /nfs/dbraw/zinc/08/52/93/285085293.db2.gz SLMZXMXTGCWLDO-UHFFFAOYSA-N 1 0 329.322 3.334 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@H]1CSCCS1)C1CC1 ZINC000165713455 285161894 /nfs/dbraw/zinc/16/18/94/285161894.db2.gz QYBLBHODKAMPAE-GJZGRUSLSA-N 1 0 338.498 3.354 20 5 EGBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2C[C@H](C)N(C3CC3)C2)cc1[N+](=O)[O-] ZINC000154189154 224216332 /nfs/dbraw/zinc/21/63/32/224216332.db2.gz IDYUZBQOMZKJQI-KCQAQPDRSA-N 1 0 333.432 3.269 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000181695486 533222359 /nfs/dbraw/zinc/22/23/59/533222359.db2.gz NPKBURFQORNZGI-UAGQMJEPSA-N 1 0 332.400 3.041 20 5 EGBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](Cc2nccn2C)C1 ZINC000246572571 141016182 /nfs/dbraw/zinc/01/61/82/141016182.db2.gz BXOAWVKUPJIYSO-GJZGRUSLSA-N 1 0 328.416 3.344 20 5 EGBDRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000150809428 143975338 /nfs/dbraw/zinc/97/53/38/143975338.db2.gz YSQVKLPRWGZSJK-KBOKABMXSA-N 1 0 343.427 3.085 20 5 EGBDRO CCn1nc(C)c([N+](=O)[O-])c1N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000192682011 144177728 /nfs/dbraw/zinc/17/77/28/144177728.db2.gz XHKMJADFONNDOE-CZUORRHYSA-N 1 0 343.431 3.195 20 5 EGBDRO C[C@H]1C[C@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[N@@H+]1C ZINC000344634195 144202998 /nfs/dbraw/zinc/20/29/98/144202998.db2.gz RQUTVSXNEPGKME-GXTWGEPZSA-N 1 0 346.456 3.291 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CCc3ccncc3)cs2)c1 ZINC000344790456 144224947 /nfs/dbraw/zinc/22/49/47/144224947.db2.gz PBOCJUXJYVPNPV-UHFFFAOYSA-N 1 0 340.408 3.446 20 5 EGBDRO O=[N+]([O-])c1cc(F)c(C[NH2+][C@H]2CCCC[C@H]2n2cccn2)c(F)c1 ZINC000351815671 144310466 /nfs/dbraw/zinc/31/04/66/144310466.db2.gz NOJYFBKDNQCGNB-JKSUJKDBSA-N 1 0 336.342 3.343 20 5 EGBDRO CC(C)c1ccc(C[NH2+]CCc2cn3c(n2)SCC3)cc1[N+](=O)[O-] ZINC000341548061 155345733 /nfs/dbraw/zinc/34/57/33/155345733.db2.gz OUBUYLPDKVEOLS-UHFFFAOYSA-N 1 0 346.456 3.353 20 5 EGBDRO COc1ccc([C@H]2CCCCC[N@@H+]2CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000157482625 286377555 /nfs/dbraw/zinc/37/75/55/286377555.db2.gz FYFRRLSUMGBGFK-GOSISDBHSA-N 1 0 344.415 3.417 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)cnc1N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309678244 154139872 /nfs/dbraw/zinc/13/98/72/154139872.db2.gz XYYAACPZURUVSU-AWEZNQCLSA-N 1 0 332.791 3.330 20 5 EGBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@H]3CCCC[C@H]3OC(F)F)nc2c1 ZINC000337377748 154318480 /nfs/dbraw/zinc/31/84/80/154318480.db2.gz BXOYGUIKGXAADG-WCQYABFASA-N 1 0 340.330 3.111 20 5 EGBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NCC1([NH+](C)C)CCCCCC1 ZINC000339876437 155014630 /nfs/dbraw/zinc/01/46/30/155014630.db2.gz DFGVJQNBICKICV-UHFFFAOYSA-N 1 0 348.447 3.021 20 5 EGBDRO [NH3+]CCN(C/C=C\c1ccc(F)c(F)c1)c1ccccc1[N+](=O)[O-] ZINC000348892855 156278726 /nfs/dbraw/zinc/27/87/26/156278726.db2.gz JTKVCCZFDXNYEJ-ARJAWSKDSA-N 1 0 333.338 3.352 20 5 EGBDRO C[C@H]1CCc2nc(CN(CC[NH3+])c3ccccc3[N+](=O)[O-])sc2C1 ZINC000348907238 156282917 /nfs/dbraw/zinc/28/29/17/156282917.db2.gz WRZGMZDVIAOBLX-LBPRGKRZSA-N 1 0 346.456 3.141 20 5 EGBDRO COCc1cc([N+](=O)[O-])ccc1NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000362131768 157036900 /nfs/dbraw/zinc/03/69/00/157036900.db2.gz ZESNUNYRKYOJOU-UHFFFAOYSA-N 1 0 347.390 3.424 20 5 EGBDRO COC[C@@H]1CCCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000368667106 157257105 /nfs/dbraw/zinc/25/71/05/157257105.db2.gz PFJJWAMJPSSGKA-GFCCVEGCSA-N 1 0 344.358 3.445 20 5 EGBDRO Cc1cc(F)ccc1C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000093534480 162015604 /nfs/dbraw/zinc/01/56/04/162015604.db2.gz MJFWJKWHPPZAIG-OAHLLOKOSA-N 1 0 330.363 3.124 20 5 EGBDRO COc1ccc(-c2ccc(C[NH2+]CC3(O)CCCC3)o2)c([N+](=O)[O-])c1 ZINC000111385343 162154282 /nfs/dbraw/zinc/15/42/82/162154282.db2.gz PBLMWYMAAUPGMJ-UHFFFAOYSA-N 1 0 346.383 3.258 20 5 EGBDRO C[C@@H]([NH2+][C@H]1CCN(c2ncccc2F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000126253653 162297761 /nfs/dbraw/zinc/29/77/61/162297761.db2.gz ZUFXGPGIZSAMOU-OCCSQVGLSA-N 1 0 330.363 3.058 20 5 EGBDRO COc1ccc(-c2ccc(C[NH2+]C(C)(C)CCO)o2)c([N+](=O)[O-])c1 ZINC000304277953 163067905 /nfs/dbraw/zinc/06/79/05/163067905.db2.gz DBRWCVKYCBHUSZ-UHFFFAOYSA-N 1 0 334.372 3.114 20 5 EGBDRO C[C@@H]([NH2+]CCC(=O)N(C)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000343912190 164064212 /nfs/dbraw/zinc/06/42/12/164064212.db2.gz HLKXFVYYNYSNKP-CQSZACIVSA-N 1 0 327.384 3.299 20 5 EGBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@H](C2CC2)C1 ZINC000343954215 164072608 /nfs/dbraw/zinc/07/26/08/164072608.db2.gz MMHVWNTZSAYNPU-FZMZJTMJSA-N 1 0 328.372 3.438 20 5 EGBDRO CN(CC[N@H+](C)C1CCCCC1)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344188666 164122977 /nfs/dbraw/zinc/12/29/77/164122977.db2.gz KNCZOINGTYWUKE-UHFFFAOYSA-N 1 0 337.395 3.070 20 5 EGBDRO C[C@@H]1[C@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCCN1C ZINC000344327203 164157600 /nfs/dbraw/zinc/15/76/00/164157600.db2.gz OKVITXHJDULZOZ-MLGOLLRUSA-N 1 0 346.456 3.291 20 5 EGBDRO C[C@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C[NH+]1CCCCC1 ZINC000346183833 164358241 /nfs/dbraw/zinc/35/82/41/164358241.db2.gz WIGIFUDRVDMWCH-GFCCVEGCSA-N 1 0 339.823 3.100 20 5 EGBDRO CCc1ccc([C@@H]([NH2+]CC2(O)CCC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000346553946 164395827 /nfs/dbraw/zinc/39/58/27/164395827.db2.gz NKNMIHWPYGXSAB-KRWDZBQOSA-N 1 0 330.384 3.344 20 5 EGBDRO C[C@@H](CC[NH+](C)C)NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000355174454 166124143 /nfs/dbraw/zinc/12/41/43/166124143.db2.gz ZKECQCUQWVFSEY-VIFPVBQESA-N 1 0 348.325 3.075 20 5 EGBDRO COc1cccc(NC[C@H](C)[N@@H+]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000355331779 166165971 /nfs/dbraw/zinc/16/59/71/166165971.db2.gz NCBOGSAXKQLBLG-AWEZNQCLSA-N 1 0 341.411 3.462 20 5 EGBDRO CC(C)[C@@H](C(=O)N(C)CCc1ccccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000359133539 167077640 /nfs/dbraw/zinc/07/76/40/167077640.db2.gz YOGURKOTPBEPEN-SFHVURJKSA-N 1 0 347.459 3.106 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH+](CCC(C)(C)C)CC2)c1 ZINC000359290207 167117340 /nfs/dbraw/zinc/11/73/40/167117340.db2.gz MOGAMWAFFUDLFI-UHFFFAOYSA-N 1 0 333.432 3.097 20 5 EGBDRO CCC[C@H]([NH2+][C@H](CCO)C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000359413769 167149179 /nfs/dbraw/zinc/14/91/79/167149179.db2.gz HOCOPDOIJYCKJQ-ZWKOTPCHSA-N 1 0 336.432 3.203 20 5 EGBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000359779615 167229690 /nfs/dbraw/zinc/22/96/90/167229690.db2.gz XTDPQNXLWZUZIE-LBPRGKRZSA-N 1 0 339.461 3.167 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)c1 ZINC000360516353 167347118 /nfs/dbraw/zinc/34/71/18/167347118.db2.gz FCDNDXVUBZPHRC-CQSZACIVSA-N 1 0 341.411 3.462 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000162956892 225900417 /nfs/dbraw/zinc/90/04/17/225900417.db2.gz VPZOKACOHREJCF-OAHLLOKOSA-N 1 0 346.431 3.243 20 5 EGBDRO Cc1c(NC(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000174477024 265052118 /nfs/dbraw/zinc/05/21/18/265052118.db2.gz RESLLZRQVUIZEX-HNNXBMFYSA-N 1 0 346.431 3.289 20 5 EGBDRO CC(C)(CC[NH+]1CCCCCC1)NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000185755353 265500835 /nfs/dbraw/zinc/50/08/35/265500835.db2.gz WLNRZZVDDICEGR-UHFFFAOYSA-N 1 0 347.459 3.298 20 5 EGBDRO C[C@@H]1CCCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)[C@@H]1C[NH3+] ZINC000237524059 266235784 /nfs/dbraw/zinc/23/57/84/266235784.db2.gz USEFNGQRGZVYRV-MLGOLLRUSA-N 1 0 333.432 3.092 20 5 EGBDRO C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCc2ccccc2C1 ZINC000269626885 266330028 /nfs/dbraw/zinc/33/00/28/266330028.db2.gz CVJJDGURBDXCCT-PKOBYXMFSA-N 1 0 326.396 3.118 20 5 EGBDRO CC[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H](C)c1cccc(O)c1 ZINC000269628091 266330459 /nfs/dbraw/zinc/33/04/59/266330459.db2.gz DGFHNKYNYCUUTF-FZKQIMNGSA-N 1 0 330.384 3.417 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@H](Nc3ccccc3)C2)c1 ZINC000269680368 266339493 /nfs/dbraw/zinc/33/94/93/266339493.db2.gz XXGKDELJRNTFHR-PKOBYXMFSA-N 1 0 341.411 3.205 20 5 EGBDRO CC(C)([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(F)c(F)c1 ZINC000271713443 266711551 /nfs/dbraw/zinc/71/15/51/266711551.db2.gz OETFXZFQOUILNB-INIZCTEOSA-N 1 0 336.338 3.431 20 5 EGBDRO CCOc1cccc(N2CCC[C@@H]([NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000273840495 267121790 /nfs/dbraw/zinc/12/17/90/267121790.db2.gz HSIYZSXKBWOPPO-OAHLLOKOSA-N 1 0 333.432 3.448 20 5 EGBDRO CO[C@@H]1CCCC[C@@H]1[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000277049133 267683957 /nfs/dbraw/zinc/68/39/57/267683957.db2.gz URHFZCLZSDQKIA-JKSUJKDBSA-N 1 0 345.399 3.340 20 5 EGBDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CCN1C(=O)OC(C)(C)C ZINC000278544197 268035746 /nfs/dbraw/zinc/03/57/46/268035746.db2.gz XUWUGWMERAYFLR-HIFRSBDPSA-N 1 0 349.431 3.472 20 5 EGBDRO C[NH+](C)C1(CNc2ccc([N+](=O)[O-])cc2Br)CCC1 ZINC000097934373 273791858 /nfs/dbraw/zinc/79/18/58/273791858.db2.gz WLDOGWCVXZALBC-UHFFFAOYSA-N 1 0 328.210 3.254 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CC[C@H]([NH+]3CC=CC3)C2)c(C(F)(F)F)c1 ZINC000266297622 275036781 /nfs/dbraw/zinc/03/67/81/275036781.db2.gz XYPYJMOTAGPELJ-LBPRGKRZSA-N 1 0 327.306 3.064 20 5 EGBDRO O=C(NCC[NH+]1CCCCC1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000047140888 275140567 /nfs/dbraw/zinc/14/05/67/275140567.db2.gz DKHOBAUXEMRRMP-UHFFFAOYSA-N 1 0 333.413 3.025 20 5 EGBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000181261131 275205913 /nfs/dbraw/zinc/20/59/13/275205913.db2.gz GWZSKGBGBNGGJB-SWLSCSKDSA-N 1 0 349.431 3.248 20 5 EGBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000181261145 275205951 /nfs/dbraw/zinc/20/59/51/275205951.db2.gz GWZSKGBGBNGGJB-IUODEOHRSA-N 1 0 349.431 3.248 20 5 EGBDRO CCn1nc(C)c([N+](=O)[O-])c1NCc1cccc(C[N@H+](C)CC)c1 ZINC000192522344 275224263 /nfs/dbraw/zinc/22/42/63/275224263.db2.gz KAORQKBJKMQCEK-UHFFFAOYSA-N 1 0 331.420 3.183 20 5 EGBDRO Cc1cc(NC2CC[NH+](Cc3cccnc3)CC2)ccc1[N+](=O)[O-] ZINC000278702320 275267048 /nfs/dbraw/zinc/26/70/48/275267048.db2.gz NDDAIFPEJGVOJC-UHFFFAOYSA-N 1 0 326.400 3.375 20 5 EGBDRO CCn1nccc1C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000278821127 275277987 /nfs/dbraw/zinc/27/79/87/275277987.db2.gz HNTYVKZFRCYOGD-UHFFFAOYSA-N 1 0 344.415 3.199 20 5 EGBDRO COCCC[NH+]1CCC(Nc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000279156016 275308575 /nfs/dbraw/zinc/30/85/75/275308575.db2.gz BHPUFZKRRZOVIZ-UHFFFAOYSA-N 1 0 327.812 3.161 20 5 EGBDRO CCC[C@H]([NH2+]Cc1ccc(C)n(C)c1=O)c1cccc([N+](=O)[O-])c1 ZINC000279508546 275336114 /nfs/dbraw/zinc/33/61/14/275336114.db2.gz NIHURCJBOLYBNL-KRWDZBQOSA-N 1 0 329.400 3.233 20 5 EGBDRO CC1(C)CC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCS1 ZINC000279762819 275357271 /nfs/dbraw/zinc/35/72/71/275357271.db2.gz ROMJSKFMULDREV-UHFFFAOYSA-N 1 0 348.428 3.362 20 5 EGBDRO COc1cc(C[NH2+][C@H]2C[C@H](c3ccccc3)C2)c([N+](=O)[O-])cc1O ZINC000280689054 275483360 /nfs/dbraw/zinc/48/33/60/275483360.db2.gz RHUWUZXLQHPLQC-CTYIDZIISA-N 1 0 328.368 3.345 20 5 EGBDRO CCC(=O)c1ccc(N2CC[C@H]([NH+]3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000280829842 275499345 /nfs/dbraw/zinc/49/93/45/275499345.db2.gz YZTINACVBDYUSR-HNNXBMFYSA-N 1 0 331.416 3.252 20 5 EGBDRO CC(=O)c1cc([N+](=O)[O-])ccc1NC1CC[NH+](CCOC(C)C)CC1 ZINC000283747877 275748959 /nfs/dbraw/zinc/74/89/59/275748959.db2.gz KJRRJUGIDFHLQR-UHFFFAOYSA-N 1 0 349.431 3.099 20 5 EGBDRO CSc1ccc(C(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)cc1[N+](=O)[O-] ZINC000287202699 276096030 /nfs/dbraw/zinc/09/60/30/276096030.db2.gz PKUQBOSVFYYCNM-OCCSQVGLSA-N 1 0 349.456 3.016 20 5 EGBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000287514410 276127471 /nfs/dbraw/zinc/12/74/71/276127471.db2.gz ZNYBTOPLLCNSLQ-OAHLLOKOSA-N 1 0 331.416 3.252 20 5 EGBDRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000134885365 276287869 /nfs/dbraw/zinc/28/78/69/276287869.db2.gz AQDUBCDAXRRPFW-YSVLISHTSA-N 1 0 334.416 3.095 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000289146165 276296698 /nfs/dbraw/zinc/29/66/98/276296698.db2.gz UVXSARJIZBFDEY-HOCLYGCPSA-N 1 0 346.431 3.302 20 5 EGBDRO [NH3+]C[C@H]1CC[C@H](CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 ZINC000289185151 276301551 /nfs/dbraw/zinc/30/15/51/276301551.db2.gz INSJXMRIYLHQIF-HAQNSBGRSA-N 1 0 347.440 3.304 20 5 EGBDRO Cc1nnc(CC[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)s1 ZINC000289761170 276389743 /nfs/dbraw/zinc/38/97/43/276389743.db2.gz IFBPWWKWUMGOHL-UHFFFAOYSA-N 1 0 344.396 3.347 20 5 EGBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]CCCn1cccn1 ZINC000290851784 276550913 /nfs/dbraw/zinc/55/09/13/276550913.db2.gz JRMIHOXLIGKSNU-UHFFFAOYSA-N 1 0 329.187 3.278 20 5 EGBDRO C[NH2+]C[C@@H]1CCCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000347019986 277275569 /nfs/dbraw/zinc/27/55/69/277275569.db2.gz MOEPJHIPPGSVPU-AWEZNQCLSA-N 1 0 329.400 3.286 20 5 EGBDRO C[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)N1Cc2ccccc2C1 ZINC000359045523 278379152 /nfs/dbraw/zinc/37/91/52/278379152.db2.gz IOZPVACIFGPLRB-ZIAGYGMSSA-N 1 0 339.395 3.176 20 5 EGBDRO Cc1ccc([C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])N2CCCC2)o1 ZINC000237634620 301798212 /nfs/dbraw/zinc/79/82/12/301798212.db2.gz QUJPCPGSHUCHFF-KRWDZBQOSA-N 1 0 329.400 3.423 20 5 EGBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H](c1cccs1)C1CC1 ZINC000342299389 304809296 /nfs/dbraw/zinc/80/92/96/304809296.db2.gz BFOCQUNBGIYDPJ-CXAGYDPISA-N 1 0 348.424 3.137 20 5 EGBDRO CC(C)CN(C(=O)/C=C/c1cccc([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000074139639 307391252 /nfs/dbraw/zinc/39/12/52/307391252.db2.gz FRDDJVIJANKLCM-BQYQJAHWSA-N 1 0 345.443 3.187 20 5 EGBDRO COC(=O)[C@@H](C)[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000079937814 307430126 /nfs/dbraw/zinc/43/01/26/307430126.db2.gz CZKWYUUEUYKFKB-KSSFIOAISA-N 1 0 342.395 3.277 20 5 EGBDRO C[NH+](C)CCC1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000128508159 307601607 /nfs/dbraw/zinc/60/16/07/307601607.db2.gz GHXBWWDYVBADAU-UHFFFAOYSA-N 1 0 339.823 3.052 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3CC[C@@H](CO)CC3)o2)cc1 ZINC000151392197 307732298 /nfs/dbraw/zinc/73/22/98/307732298.db2.gz DELPZUJCOVNOOM-CTYIDZIISA-N 1 0 330.384 3.496 20 5 EGBDRO CCC[C@H]([NH2+]C1CCN(C(=O)OC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000153011633 307764264 /nfs/dbraw/zinc/76/42/64/307764264.db2.gz DHTHOUFXLRAVCI-INIZCTEOSA-N 1 0 335.404 3.256 20 5 EGBDRO Cc1c([C@@H](C)[NH2+]CCNC(=O)CC2CCCC2)cccc1[N+](=O)[O-] ZINC000153659321 307778194 /nfs/dbraw/zinc/77/81/94/307778194.db2.gz KKDUPFDFVJVFRZ-CQSZACIVSA-N 1 0 333.432 3.250 20 5 EGBDRO CNC(=O)c1cccc(CC[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000157847746 307851181 /nfs/dbraw/zinc/85/11/81/307851181.db2.gz QRYUCLKSIWJLQY-CQSZACIVSA-N 1 0 341.411 3.156 20 5 EGBDRO CC(C)(C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)c1cccnc1 ZINC000414325686 309073052 /nfs/dbraw/zinc/07/30/52/309073052.db2.gz DIFMBKIXJIEBMB-CVEARBPZSA-N 1 0 343.431 3.237 20 5 EGBDRO CC[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000163347229 307921902 /nfs/dbraw/zinc/92/19/02/307921902.db2.gz WKCOTZOPSZRPTM-GXTWGEPZSA-N 1 0 335.404 3.100 20 5 EGBDRO C[C@@H]([NH2+][C@@H](C)C(=O)N1[C@@H](C)CCC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000249744115 308027831 /nfs/dbraw/zinc/02/78/31/308027831.db2.gz BGGYMYARPIVMIL-XQLPTFJDSA-N 1 0 333.432 3.423 20 5 EGBDRO CC[NH+](CC)CCC[C@H](C)NC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000255328859 308046816 /nfs/dbraw/zinc/04/68/16/308046816.db2.gz OMORBXAYCQMVPJ-SSCKCOOKSA-N 1 0 333.432 3.235 20 5 EGBDRO COc1cc(CN2CCC[C@H]2CF)c([N+](=O)[O-])cc1OC(F)F ZINC000293007416 308089492 /nfs/dbraw/zinc/08/94/92/308089492.db2.gz JMNAFDHMZRDJRO-JTQLQIEISA-N 1 0 334.294 3.139 20 5 EGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](CC(N)=O)c1ccccc1 ZINC000293697013 308153777 /nfs/dbraw/zinc/15/37/77/308153777.db2.gz RGCDTEZIDGAIMR-WMLDXEAASA-N 1 0 341.411 3.122 20 5 EGBDRO C[C@H]([NH2+]C[C@@H](c1ccco1)N1CCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293720398 308155870 /nfs/dbraw/zinc/15/58/70/308155870.db2.gz MLVFFGJRSXYHKZ-GUYCJALGSA-N 1 0 344.415 3.258 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000294082076 308188356 /nfs/dbraw/zinc/18/83/56/308188356.db2.gz JSZSGFUEZMCIOS-LJQANCHMSA-N 1 0 345.443 3.078 20 5 EGBDRO COC(=O)[C@@]1(C)CCC[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000414560797 309089346 /nfs/dbraw/zinc/08/93/46/309089346.db2.gz RDXMCURDVZZSQP-BLSFAOBESA-N 1 0 332.400 3.273 20 5 EGBDRO CC(C)C[C@@H]([NH3+])c1noc(Cc2c[nH]c3ccc([N+](=O)[O-])cc23)n1 ZINC000414625395 309092306 /nfs/dbraw/zinc/09/23/06/309092306.db2.gz WQHJYEJPLFISLC-CYBMUJFWSA-N 1 0 329.360 3.096 20 5 EGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCC(C)(C)CO ZINC000295833382 308364780 /nfs/dbraw/zinc/36/47/80/308364780.db2.gz ABSJNNNIEXQSJQ-ZDUSSCGKSA-N 1 0 326.462 3.464 20 5 EGBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2NC1CC[NH+](C2CC2)CC1 ZINC000296457906 308429469 /nfs/dbraw/zinc/42/94/69/308429469.db2.gz JCGCGEUWPWWQEP-UHFFFAOYSA-N 1 0 342.399 3.190 20 5 EGBDRO Cc1c(NC(=O)N(CCC[NH3+])CC2CCCC2)cccc1[N+](=O)[O-] ZINC000414716581 309096969 /nfs/dbraw/zinc/09/69/69/309096969.db2.gz XAIVTCDGHGUSED-UHFFFAOYSA-N 1 0 334.420 3.276 20 5 EGBDRO C[NH2+]C[C@@H]1CCCN1Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000414665429 309094486 /nfs/dbraw/zinc/09/44/86/309094486.db2.gz VNRZNWIFAUGRJT-ZDUSSCGKSA-N 1 0 345.399 3.047 20 5 EGBDRO Cc1nc(NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)ncc1[N+](=O)[O-] ZINC000297219398 308511450 /nfs/dbraw/zinc/51/14/50/308511450.db2.gz SPROVMAVCBVPGT-LBPRGKRZSA-N 1 0 329.404 3.235 20 5 EGBDRO O=[N+]([O-])c1ccc2nc(N3CC[NH+](Cc4ccccc4)CC3)ccc2c1 ZINC000301067091 308686869 /nfs/dbraw/zinc/68/68/69/308686869.db2.gz FGUGTWYOWOSMAU-UHFFFAOYSA-N 1 0 348.406 3.465 20 5 EGBDRO Cc1ccc(NCC2([NH+]3CCCCC3)CCOCC2)c([N+](=O)[O-])c1 ZINC000301595995 308706704 /nfs/dbraw/zinc/70/67/04/308706704.db2.gz WAIZOJBHUWMWAP-UHFFFAOYSA-N 1 0 333.432 3.350 20 5 EGBDRO Cc1cc(N2CC[C@H]3OCCC[C@@H]3C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302065987 308727899 /nfs/dbraw/zinc/72/78/99/308727899.db2.gz FCJBNAGZZKSXMP-FZKQIMNGSA-N 1 0 327.384 3.457 20 5 EGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(C(=O)N2CCCCC2)CC1 ZINC000332210287 308830414 /nfs/dbraw/zinc/83/04/14/308830414.db2.gz UTLRJDHHDUHUJA-OAHLLOKOSA-N 1 0 345.443 3.380 20 5 EGBDRO C[C@H]([NH2+][C@@H]1CCN(c2ccc(F)cc2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000411769355 308952208 /nfs/dbraw/zinc/95/22/08/308952208.db2.gz KLJUKBDDOWOKGZ-YVEFUNNKSA-N 1 0 343.358 3.190 20 5 EGBDRO CN(CC[C@H]1CCCC[N@@H+]1C)c1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413174707 309019665 /nfs/dbraw/zinc/01/96/65/309019665.db2.gz QBQXWBYCSUGHLL-LLVKDONJSA-N 1 0 346.353 3.319 20 5 EGBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1c1nccc2ccc([N+](=O)[O-])cc21 ZINC000413280008 309024914 /nfs/dbraw/zinc/02/49/14/309024914.db2.gz JVRTZIYQARTHGW-XJKSGUPXSA-N 1 0 326.400 3.206 20 5 EGBDRO C[C@@]1(CNCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCC[NH2+]C1 ZINC000414896454 309107996 /nfs/dbraw/zinc/10/79/96/309107996.db2.gz BVVCHYHJGBGZLZ-GOSISDBHSA-N 1 0 329.400 3.334 20 5 EGBDRO CC(C)C[C@@H](C[NH3+])NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000415432094 309133234 /nfs/dbraw/zinc/13/32/34/309133234.db2.gz FLTGMCIQWQAFQS-JTQLQIEISA-N 1 0 348.325 3.109 20 5 EGBDRO [NH3+]Cc1ccc(NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000415979386 309152497 /nfs/dbraw/zinc/15/24/97/309152497.db2.gz QRQWCWLIZITICA-UHFFFAOYSA-N 1 0 340.383 3.250 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCc3c[nH]nc3C1)CCCC2 ZINC000417308278 309201105 /nfs/dbraw/zinc/20/11/05/309201105.db2.gz HVWOYXDUGWUNAG-RHSMWYFYSA-N 1 0 326.400 3.233 20 5 EGBDRO CCc1nn(C)cc1C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417314582 309201304 /nfs/dbraw/zinc/20/13/04/309201304.db2.gz RKVGQNFKJMYBCO-SFHVURJKSA-N 1 0 328.416 3.448 20 5 EGBDRO CC[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@@H]1CC1(C)C ZINC000419317432 309264299 /nfs/dbraw/zinc/26/42/99/309264299.db2.gz MTYGUGIFFBBLJY-UONOGXRCSA-N 1 0 349.431 3.346 20 5 EGBDRO COCCCC[N@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000419394164 309266595 /nfs/dbraw/zinc/26/65/95/309266595.db2.gz VXRFFEGQBZQUIH-UHFFFAOYSA-N 1 0 333.388 3.151 20 5 EGBDRO [NH3+][C@@H]1CCC[C@@H]2CN(c3c(Cl)cc(Cl)cc3[N+](=O)[O-])C[C@H]21 ZINC000420225185 309277460 /nfs/dbraw/zinc/27/74/60/309277460.db2.gz CNBWCJFMTQUMAP-HLUHBDAQSA-N 1 0 330.215 3.465 20 5 EGBDRO C[C@H]1C[C@H](CO)C[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000421364386 309320623 /nfs/dbraw/zinc/32/06/23/309320623.db2.gz RVHVCYXVEFNNCX-STQMWFEESA-N 1 0 347.440 3.169 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC000421740635 309337799 /nfs/dbraw/zinc/33/77/99/309337799.db2.gz KUZNVMOJHOMMHY-OAHLLOKOSA-N 1 0 333.432 3.206 20 5 EGBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])c(C)cc2C)C[C@H]1C ZINC000421777088 309339697 /nfs/dbraw/zinc/33/96/97/309339697.db2.gz XCGVPRHUVZFJDQ-HUUCEWRRSA-N 1 0 333.432 3.156 20 5 EGBDRO COC1([C@H](C)[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CCOCC1 ZINC000421866727 309344157 /nfs/dbraw/zinc/34/41/57/309344157.db2.gz NYRGFHXEQBGUJS-SUMWQHHRSA-N 1 0 348.443 3.491 20 5 EGBDRO CCc1ccc([C@@H](NC[C@H]2CCC[NH2+]2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000423230011 309391369 /nfs/dbraw/zinc/39/13/69/309391369.db2.gz CNDMDHJNJROWRS-KDOFPFPSSA-N 1 0 329.400 3.181 20 5 EGBDRO [NH3+][C@H]1CCCCCC[C@H]1C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423835818 309415576 /nfs/dbraw/zinc/41/55/76/309415576.db2.gz DXHZQOQWVCKEML-HIFRSBDPSA-N 1 0 339.823 3.162 20 5 EGBDRO Cc1noc(C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)c2ccccc2)n1 ZINC000428638847 309557266 /nfs/dbraw/zinc/55/72/66/309557266.db2.gz HBCHAYZPGQNQJK-QGZVFWFLSA-N 1 0 338.367 3.360 20 5 EGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CO)CC(F)F ZINC000429461696 309582416 /nfs/dbraw/zinc/58/24/16/309582416.db2.gz LWDFJVMLOUSEOK-WDEREUQCSA-N 1 0 334.388 3.071 20 5 EGBDRO [NH3+]C[C@@H]1CCCCN1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000435372783 309729887 /nfs/dbraw/zinc/72/98/87/309729887.db2.gz SNOCYDOCUMIKGQ-HNNXBMFYSA-N 1 0 332.429 3.032 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H](CC(F)(F)F)C(C)C ZINC000445888843 309950881 /nfs/dbraw/zinc/95/08/81/309950881.db2.gz XEORMXDFXQFKHT-CYBMUJFWSA-N 1 0 347.337 3.408 20 5 EGBDRO CCOCCC1(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000447590018 309983550 /nfs/dbraw/zinc/98/35/50/309983550.db2.gz ZSONOKBIUJXWKS-GJZGRUSLSA-N 1 0 336.436 3.071 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2csc(N3CC[NH+](CC4CC4)CC3)n2)cc1 ZINC000448947067 310025339 /nfs/dbraw/zinc/02/53/39/310025339.db2.gz UINOTXPOHMGPLD-UHFFFAOYSA-N 1 0 344.440 3.250 20 5 EGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](CO)c1c(F)cccc1F ZINC000449144240 310039997 /nfs/dbraw/zinc/03/99/97/310039997.db2.gz SEJOAJJLXGJHON-IAQYHMDHSA-N 1 0 336.338 3.127 20 5 EGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCOc1ncccc1Cl ZINC000449181397 310042716 /nfs/dbraw/zinc/04/27/16/310042716.db2.gz HCXGMYXZTAAANK-GFCCVEGCSA-N 1 0 335.791 3.243 20 5 EGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC[C@@H]1COc2ccccc2O1 ZINC000449183700 310042859 /nfs/dbraw/zinc/04/28/59/310042859.db2.gz DXFOFTXGKYUJCV-GOEBONIOSA-N 1 0 342.395 3.346 20 5 EGBDRO Cc1cccc2c1OC[C@@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])C2 ZINC000449332152 310054278 /nfs/dbraw/zinc/05/42/78/310054278.db2.gz BVQDUJZRAIOILP-YOEHRIQHSA-N 1 0 326.396 3.428 20 5 EGBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1CCCC1(F)F ZINC000449496052 310066823 /nfs/dbraw/zinc/06/68/23/310066823.db2.gz PISMZOVOAXGVOG-NEPJUHHUSA-N 1 0 341.358 3.337 20 5 EGBDRO CC(C)n1cc(CN2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)nn1 ZINC000449495752 310066948 /nfs/dbraw/zinc/06/69/48/310066948.db2.gz DYUADWHWFYMJTM-OAHLLOKOSA-N 1 0 329.404 3.147 20 5 EGBDRO Cc1nn(C)c(C)c1C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000449498815 310067042 /nfs/dbraw/zinc/06/70/42/310067042.db2.gz LEPJAUJHEFRMQC-MRXNPFEDSA-N 1 0 328.416 3.325 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000449578290 310073361 /nfs/dbraw/zinc/07/33/61/310073361.db2.gz KAMZPBOUUHVKKZ-NWGLXNPWSA-N 1 0 332.444 3.447 20 5 EGBDRO CN(CC1CC[NH+](C)CC1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000450319519 310115271 /nfs/dbraw/zinc/11/52/71/310115271.db2.gz ZAGABJZMFZACKF-UHFFFAOYSA-N 1 0 346.456 3.496 20 5 EGBDRO O=[N+]([O-])c1cccc2c1ccnc2N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000450326517 310115670 /nfs/dbraw/zinc/11/56/70/310115670.db2.gz YPUMWCUJFHCNNQ-CQSZACIVSA-N 1 0 326.400 3.208 20 5 EGBDRO CCOc1cc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)ccc1[N+](=O)[O-] ZINC000450870691 310146934 /nfs/dbraw/zinc/14/69/34/310146934.db2.gz ZLLAHIHPAPEDSE-BMGDILEWSA-N 1 0 346.427 3.431 20 5 EGBDRO CN(c1ccccc1[N+](=O)[O-])C1CC[NH+](CCC(F)(F)F)CC1 ZINC000450952453 310151796 /nfs/dbraw/zinc/15/17/96/310151796.db2.gz TYWDOFYTTMHYHA-UHFFFAOYSA-N 1 0 331.338 3.448 20 5 EGBDRO Cc1ccccc1CC[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000451169702 310163779 /nfs/dbraw/zinc/16/37/79/310163779.db2.gz NCYBASLNEQMSFE-OAHLLOKOSA-N 1 0 341.411 3.405 20 5 EGBDRO CCOc1cc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)ccc1[N+](=O)[O-] ZINC000451418298 310177302 /nfs/dbraw/zinc/17/73/02/310177302.db2.gz IZVWDTVUGYCKER-ZMSDIMECSA-N 1 0 334.416 3.119 20 5 EGBDRO CC(C)O[C@@H]1C[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1(C)C ZINC000451487946 310180763 /nfs/dbraw/zinc/18/07/63/310180763.db2.gz ACNHHHDVZJRFQO-LSDHHAIUSA-N 1 0 332.404 3.153 20 5 EGBDRO Cc1cc(C)n(CC[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000451546410 310184818 /nfs/dbraw/zinc/18/48/18/310184818.db2.gz JFXHMVCWMVRWIB-QGZVFWFLSA-N 1 0 328.416 3.288 20 5 EGBDRO COC(=O)CC1(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000451551705 310185662 /nfs/dbraw/zinc/18/56/62/310185662.db2.gz URCQQIZUBAYMJC-OAHLLOKOSA-N 1 0 332.400 3.118 20 5 EGBDRO COc1ccnc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000451552650 310185983 /nfs/dbraw/zinc/18/59/83/310185983.db2.gz WXFJLRCKUXCPHY-HNNXBMFYSA-N 1 0 327.384 3.378 20 5 EGBDRO CO[C@H]1CC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]1C ZINC000451579786 310187660 /nfs/dbraw/zinc/18/76/60/310187660.db2.gz YYUGYCUIOLRMIB-WBMJQRKESA-N 1 0 331.372 3.107 20 5 EGBDRO CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000451594193 310188401 /nfs/dbraw/zinc/18/84/01/310188401.db2.gz APWJQCVSTPVFAV-ABAIWWIYSA-N 1 0 342.342 3.085 20 5 EGBDRO CC[C@@H]1C[N@H+](CC)CCN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000451733380 310195187 /nfs/dbraw/zinc/19/51/87/310195187.db2.gz AIRTWVHRWPWLGJ-MRXNPFEDSA-N 1 0 344.415 3.166 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)[C@@H]1CCC[C@H](C)C1 ZINC000452073767 310210380 /nfs/dbraw/zinc/21/03/80/310210380.db2.gz VYGDQKMYKFZCBP-MELADBBJSA-N 1 0 349.431 3.346 20 5 EGBDRO COc1ccc2c(c1)C[C@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])CO2 ZINC000453166513 310261889 /nfs/dbraw/zinc/26/18/89/310261889.db2.gz QRVGYIAZWFZBIP-JSGCOSHPSA-N 1 0 328.368 3.258 20 5 EGBDRO COc1ccc2c(c1)OC[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C2 ZINC000453222190 310264988 /nfs/dbraw/zinc/26/49/88/310264988.db2.gz KOIVCYZAORAFMJ-WFASDCNBSA-N 1 0 328.368 3.258 20 5 EGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@@H]2CCOC3(CCC3)C2)n1 ZINC000453322978 310271112 /nfs/dbraw/zinc/27/11/12/310271112.db2.gz RJQIKBRBIQYMDB-OWCLPIDISA-N 1 0 348.447 3.214 20 5 EGBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)Cc2cnn(C)c2)cc1[N+](=O)[O-] ZINC000453326272 310271148 /nfs/dbraw/zinc/27/11/48/310271148.db2.gz AGMNMEAETGNIPL-STQMWFEESA-N 1 0 332.404 3.009 20 5 EGBDRO Cc1cnc(CC[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cn1 ZINC000453408760 310275453 /nfs/dbraw/zinc/27/54/53/310275453.db2.gz TUESKCYIAWRNBU-KRWDZBQOSA-N 1 0 326.400 3.248 20 5 EGBDRO COc1ccc(-c2ccc(CNC(C)(C)C[NH+](C)C)o2)c([N+](=O)[O-])c1 ZINC000453599082 310283441 /nfs/dbraw/zinc/28/34/41/310283441.db2.gz PRRIDSUJXOTLBE-UHFFFAOYSA-N 1 0 347.415 3.293 20 5 EGBDRO CCn1ccnc1[C@@H](C)NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000454208239 310297135 /nfs/dbraw/zinc/29/71/35/310297135.db2.gz HIXBHSIHMCXZQO-SECBINFHSA-N 1 0 337.767 3.347 20 5 EGBDRO C[C@H](NC(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000454513793 310314037 /nfs/dbraw/zinc/31/40/37/310314037.db2.gz RGXSHEPNIGDOPA-ILXRZTDVSA-N 1 0 348.447 3.075 20 5 EGBDRO C[C@H](CNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)[NH+]1CCC(C)CC1 ZINC000454629854 310321130 /nfs/dbraw/zinc/32/11/30/310321130.db2.gz JUUPVCIUCRSAMM-CABCVRRESA-N 1 0 348.447 3.075 20 5 EGBDRO CC[C@H](C)[NH+]1CCN(C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000458520900 310507962 /nfs/dbraw/zinc/50/79/62/310507962.db2.gz UUKYPQAHRZJVAB-LSDHHAIUSA-N 1 0 348.447 3.090 20 5 EGBDRO COc1ccc(NC(=O)C[NH2+][C@]2(C)CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000459623892 310564914 /nfs/dbraw/zinc/56/49/14/310564914.db2.gz ZPVZPWVZUQZEED-YVEFUNNKSA-N 1 0 335.404 3.100 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CCN(c2ccccn2)C1 ZINC000468619592 310691030 /nfs/dbraw/zinc/69/10/30/310691030.db2.gz PIYRZSVRSQVFFE-HKBKRHGFSA-N 1 0 338.411 3.262 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@H](CO)CC1CCC1 ZINC000479509960 310876715 /nfs/dbraw/zinc/87/67/15/310876715.db2.gz KFWCKUPTPYVOHW-SZMVWBNQSA-N 1 0 332.444 3.447 20 5 EGBDRO CC1CCN(CC[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000480608590 310897627 /nfs/dbraw/zinc/89/76/27/310897627.db2.gz KHSHZHCJCKGOQB-GOSISDBHSA-N 1 0 331.460 3.237 20 5 EGBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)C[C@@H](C)C1 ZINC000488752898 311078301 /nfs/dbraw/zinc/07/83/01/311078301.db2.gz YRFFOFZUYFOPGR-BIENJYKASA-N 1 0 340.427 3.310 20 5 EGBDRO C[NH+](C)[C@@H](CNC(=O)/C=C\c1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000490857201 311155130 /nfs/dbraw/zinc/15/51/30/311155130.db2.gz SQHZNFFBVUIUGU-CDNLZTBQSA-N 1 0 345.424 3.089 20 5 EGBDRO CC(C)c1nnc(CC[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])s1 ZINC000492005527 311207954 /nfs/dbraw/zinc/20/79/54/311207954.db2.gz YGFULUXMGOGRQO-FNORWQNLSA-N 1 0 332.429 3.415 20 5 EGBDRO COC(=O)N1CCC([C@H](C)[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000492200792 311226002 /nfs/dbraw/zinc/22/60/02/311226002.db2.gz KJFPMJFRADAGFF-QWHCGFSZSA-N 1 0 335.404 3.112 20 5 EGBDRO CCOc1cc(CN(C)[C@@H]2CC[N@H+](CC)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000492630528 311273858 /nfs/dbraw/zinc/27/38/58/311273858.db2.gz NHUUOTMPRKVRKL-GDBMZVCRSA-N 1 0 335.448 3.298 20 5 EGBDRO CCCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000492818403 311294710 /nfs/dbraw/zinc/29/47/10/311294710.db2.gz NYKZDBVVVXLLET-OAGGEKHMSA-N 1 0 336.432 3.283 20 5 EGBDRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000501033251 311937265 /nfs/dbraw/zinc/93/72/65/311937265.db2.gz GJBQTEBUXQIJJL-RYUDHWBXSA-N 1 0 339.461 3.143 20 5 EGBDRO CCN(CCC[NH+]1CCCC1)C(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000505699192 312030582 /nfs/dbraw/zinc/03/05/82/312030582.db2.gz GNPHARXCUHGMHC-UHFFFAOYSA-N 1 0 347.459 3.207 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2ccc(CN3CC[NH+](CC4CC4)CC3)o2)c1 ZINC000509407548 312116057 /nfs/dbraw/zinc/11/60/57/312116057.db2.gz KYYFMOXPGAPPCV-UHFFFAOYSA-N 1 0 341.411 3.382 20 5 EGBDRO Cn1nccc1[C@H]1CCC[C@@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000515124379 312266472 /nfs/dbraw/zinc/26/64/72/312266472.db2.gz YPXSIXWVFSPXFZ-LSDHHAIUSA-N 1 0 344.415 3.023 20 5 EGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@H](O)CCc1ccccc1 ZINC000516663186 312336637 /nfs/dbraw/zinc/33/66/37/312336637.db2.gz HERMCLIUQHHGPQ-CRAIPNDOSA-N 1 0 326.396 3.165 20 5 EGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@H](O)CCc1ccccc1 ZINC000516663189 312336659 /nfs/dbraw/zinc/33/66/59/312336659.db2.gz HERMCLIUQHHGPQ-YJBOKZPZSA-N 1 0 326.396 3.165 20 5 EGBDRO C[C@]1(NC(=O)c2csc([N+](=O)[O-])c2)CC[N@H+](Cc2ccccc2)C1 ZINC000516974010 312355501 /nfs/dbraw/zinc/35/55/01/312355501.db2.gz OERMDKAHHPOQRD-KRWDZBQOSA-N 1 0 345.424 3.051 20 5 EGBDRO C[NH+](C)C1(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)CCCCCC1 ZINC000517553938 312383337 /nfs/dbraw/zinc/38/33/37/312383337.db2.gz HMSIJXSAWMRCCS-UHFFFAOYSA-N 1 0 337.395 3.118 20 5 EGBDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000517636637 312386420 /nfs/dbraw/zinc/38/64/20/312386420.db2.gz BUPBIWDAFFPZJX-CYBMUJFWSA-N 1 0 335.448 3.351 20 5 EGBDRO O=C(c1ccc([N+](=O)[O-])cc1)N(CC[NH+]1CCCC1)c1ccccc1 ZINC000523538801 312624774 /nfs/dbraw/zinc/62/47/74/312624774.db2.gz UIOSULUCRBVUAO-UHFFFAOYSA-N 1 0 339.395 3.337 20 5 EGBDRO CC(C)[C@@H](O)C[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000525405620 312723846 /nfs/dbraw/zinc/72/38/46/312723846.db2.gz KFEYJJZPPGGBKB-IBGZPJMESA-N 1 0 343.427 3.469 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2ccc(Br)cn2)cc1 ZINC000070396515 454168919 /nfs/dbraw/zinc/16/89/19/454168919.db2.gz OGSKPXBAENTOPK-UHFFFAOYSA-N 1 0 336.189 3.085 20 5 EGBDRO CCc1ccc(-c2ccc(C[NH2+]CCn3cc([N+](=O)[O-])cn3)o2)cc1 ZINC000532866196 313847807 /nfs/dbraw/zinc/84/78/07/313847807.db2.gz RGBLDPSCZAJOGA-UHFFFAOYSA-N 1 0 340.383 3.404 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CCC(CCO)CC3)o2)cc1 ZINC000535069027 314023631 /nfs/dbraw/zinc/02/36/31/314023631.db2.gz ZAYBSRKZZBXETN-UHFFFAOYSA-N 1 0 330.384 3.449 20 5 EGBDRO CC[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000536745063 314142930 /nfs/dbraw/zinc/14/29/30/314142930.db2.gz CUTKZKAPXYFLAT-CMPLNLGQSA-N 1 0 325.796 3.450 20 5 EGBDRO CCC[C@H]([NH2+]CCC(=O)Nc1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC000537511441 314185803 /nfs/dbraw/zinc/18/58/03/314185803.db2.gz GNBYDFFQKWYLOC-INIZCTEOSA-N 1 0 342.399 3.449 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCNC(=O)c1ccccc1F ZINC000537962109 314220228 /nfs/dbraw/zinc/22/02/28/314220228.db2.gz KZMLOIRDBBNQPX-ZDUSSCGKSA-N 1 0 345.374 3.123 20 5 EGBDRO C[C@H]([NH2+]CCCn1c(=O)[nH]c2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000538179346 314231157 /nfs/dbraw/zinc/23/11/57/314231157.db2.gz GQHXSEWWVOEATA-ZDUSSCGKSA-N 1 0 340.383 3.391 20 5 EGBDRO CC[C@H]([NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C(C)(C)C ZINC000538390697 314243531 /nfs/dbraw/zinc/24/35/31/314243531.db2.gz USVWLUMXAZFUOF-HNNXBMFYSA-N 1 0 335.404 3.307 20 5 EGBDRO CC[N@H+](CCC1CCN(c2ncccc2[N+](=O)[O-])CC1)CC1CC1 ZINC000538925016 314285185 /nfs/dbraw/zinc/28/51/85/314285185.db2.gz CPCNCDDRUBBGJJ-UHFFFAOYSA-N 1 0 332.448 3.328 20 5 EGBDRO CCc1nn(C)c(NC[C@@H](c2ccc(CC)cc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000539889423 314349368 /nfs/dbraw/zinc/34/93/68/314349368.db2.gz JUEGVHWXEBUOMF-INIZCTEOSA-N 1 0 345.447 3.168 20 5 EGBDRO COc1cccc(N2CC[NH+](Cc3cccc(C)c3)CC2)c1[N+](=O)[O-] ZINC000548117119 314974344 /nfs/dbraw/zinc/97/43/44/314974344.db2.gz ISBCTLCHGWNHIX-UHFFFAOYSA-N 1 0 341.411 3.234 20 5 EGBDRO CCC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000548160476 314980047 /nfs/dbraw/zinc/98/00/47/314980047.db2.gz TVRXPKWSCSPCIT-KYJSFNMBSA-N 1 0 336.432 3.283 20 5 EGBDRO CCC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000548488589 315016640 /nfs/dbraw/zinc/01/66/40/315016640.db2.gz RJJXMDDEVZRTLE-PBHICJAKSA-N 1 0 345.443 3.432 20 5 EGBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H](O)Cc1cccc(Cl)c1 ZINC000553906174 315287816 /nfs/dbraw/zinc/28/78/16/315287816.db2.gz DPZKGMBVMGXJMH-SFHVURJKSA-N 1 0 348.830 3.326 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCOC[C@H]1CCCO1)CCCC2 ZINC000563570007 316039656 /nfs/dbraw/zinc/03/96/56/316039656.db2.gz ZQNTZGKGXLRRIF-AEFFLSMTSA-N 1 0 334.416 3.148 20 5 EGBDRO C[C@H](c1nc(CC23CCC[NH+]2CCC3)no1)c1cccc([N+](=O)[O-])c1 ZINC000563679493 316054958 /nfs/dbraw/zinc/05/49/58/316054958.db2.gz QDMIIRZZKRRYLF-ZDUSSCGKSA-N 1 0 342.399 3.301 20 5 EGBDRO C[C@H]1CCC[C@]1(O)C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000563978782 316099991 /nfs/dbraw/zinc/09/99/91/316099991.db2.gz MRQSWAZKGKDQSK-UGSOOPFHSA-N 1 0 330.384 3.496 20 5 EGBDRO COc1ccc(-c2ccc(C[NH2+][C@H]3CO[C@@H](C)C3)o2)c([N+](=O)[O-])c1 ZINC000567853711 316683758 /nfs/dbraw/zinc/68/37/58/316683758.db2.gz LHODDTISZIIFHF-NWDGAFQWSA-N 1 0 332.356 3.130 20 5 EGBDRO CCOc1cc(C[NH2+][C@@H](CO)c2ccccc2C)ccc1[N+](=O)[O-] ZINC000570774136 317105023 /nfs/dbraw/zinc/10/50/23/317105023.db2.gz JGKYCNHPUFIWNB-INIZCTEOSA-N 1 0 330.384 3.125 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@H](O)COc1ccccc1)CCC2 ZINC000574266566 317578687 /nfs/dbraw/zinc/57/86/87/317578687.db2.gz MCYSAUQFPAJXAZ-LPHOPBHVSA-N 1 0 342.395 3.002 20 5 EGBDRO CN(CC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000574598322 317616056 /nfs/dbraw/zinc/61/60/56/317616056.db2.gz RYODNPPTUZZQFN-IRXDYDNUSA-N 1 0 343.431 3.001 20 5 EGBDRO C[C@H]([NH2+]CCNC(=O)CC1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000178652432 323359136 /nfs/dbraw/zinc/35/91/36/323359136.db2.gz GQXOWITUXPCZTM-AWEZNQCLSA-N 1 0 333.432 3.332 20 5 EGBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C1(c2ccccc2)CCCC1 ZINC000185961339 323718607 /nfs/dbraw/zinc/71/86/07/323718607.db2.gz QXBXNNABSSAJJF-OAHLLOKOSA-N 1 0 328.416 3.281 20 5 EGBDRO CC(C)(C)OC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000382445629 324249576 /nfs/dbraw/zinc/24/95/76/324249576.db2.gz JEWYRMHNYHVWML-DZGCQCFKSA-N 1 0 349.431 3.378 20 5 EGBDRO C[NH+](C)CCCCC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000579317440 325091999 /nfs/dbraw/zinc/09/19/99/325091999.db2.gz VQDLQHSNXISIMT-MRXNPFEDSA-N 1 0 333.432 3.033 20 5 EGBDRO CC(C)(C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])C1=CCCC1 ZINC000579464958 325113939 /nfs/dbraw/zinc/11/39/39/325113939.db2.gz CAAHDKDPJGMVDJ-HNNXBMFYSA-N 1 0 334.416 3.061 20 5 EGBDRO CC(=O)Nc1ccc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000581201893 325341163 /nfs/dbraw/zinc/34/11/63/325341163.db2.gz YUVMBANIBLXJCE-QGZVFWFLSA-N 1 0 325.368 3.330 20 5 EGBDRO CCc1nn(C)c(NC[C@@H](C(C)C)[NH+]2CCCCCC2)c1[N+](=O)[O-] ZINC000583773848 325550136 /nfs/dbraw/zinc/55/01/36/325550136.db2.gz NFGCBPFGVXSIAU-HNNXBMFYSA-N 1 0 337.468 3.203 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000173109225 455233077 /nfs/dbraw/zinc/23/30/77/455233077.db2.gz MMORGGZKTXFTCV-GJZGRUSLSA-N 1 0 333.432 3.001 20 5 EGBDRO CNC(=O)c1cccc(CC[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000157832146 455237152 /nfs/dbraw/zinc/23/71/52/455237152.db2.gz DIDPJXHFGJUOOI-AWEZNQCLSA-N 1 0 341.411 3.156 20 5 EGBDRO CC1([C@@H]2CCC[N@H+](C/C=C/c3ccccc3[N+](=O)[O-])C2)OCCO1 ZINC000183241807 455257982 /nfs/dbraw/zinc/25/79/82/455257982.db2.gz ZTZBOUPGKDPRPK-IEXSPKMKSA-N 1 0 332.400 3.083 20 5 EGBDRO O=[N+]([O-])c1ccccc1CN1CCC[N@H+](Cc2ccccc2)CC1 ZINC000009987167 453270561 /nfs/dbraw/zinc/27/05/61/453270561.db2.gz RHQFOHFEDIVBII-UHFFFAOYSA-N 1 0 325.412 3.303 20 5 EGBDRO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000023738331 453715858 /nfs/dbraw/zinc/71/58/58/453715858.db2.gz JRQBGIGUAGWAJJ-GOSISDBHSA-N 1 0 339.395 3.162 20 5 EGBDRO O=C(Nc1ccccc1)C1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000024855438 453749724 /nfs/dbraw/zinc/74/97/24/453749724.db2.gz GPOPRVGZIMWZIM-UHFFFAOYSA-N 1 0 339.395 3.446 20 5 EGBDRO C[N@H+](CCC(=O)Nc1ccccc1F)Cc1ccccc1[N+](=O)[O-] ZINC000026350614 453797448 /nfs/dbraw/zinc/79/74/48/453797448.db2.gz VACJHSHGMLZDML-UHFFFAOYSA-N 1 0 331.347 3.195 20 5 EGBDRO NC(=O)c1ccc(C[N@@H+]2CCC[C@@H]2c2cccs2)c([N+](=O)[O-])c1 ZINC000027357761 453815508 /nfs/dbraw/zinc/81/55/08/453815508.db2.gz OSHWHSOCIHTIPW-CYBMUJFWSA-N 1 0 331.397 3.092 20 5 EGBDRO Cc1c(NC(=O)[C@@H](C)[N@H+](C)CCc2ccccc2)cccc1[N+](=O)[O-] ZINC000053048300 453854748 /nfs/dbraw/zinc/85/47/48/453854748.db2.gz LOTFQOAPVMNRCH-OAHLLOKOSA-N 1 0 341.411 3.405 20 5 EGBDRO C[C@@H](C[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000066853813 453881066 /nfs/dbraw/zinc/88/10/66/453881066.db2.gz MSEVZXYETYFFPK-YJBOKZPZSA-N 1 0 344.411 3.070 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000067132602 453905415 /nfs/dbraw/zinc/90/54/15/453905415.db2.gz GODROMVXULPBCB-GJZGRUSLSA-N 1 0 331.416 3.496 20 5 EGBDRO CC[C@H](C)[C@@H](C)[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000181786930 455382439 /nfs/dbraw/zinc/38/24/39/455382439.db2.gz XGWDMLIHTHVOCZ-LZWOXQAQSA-N 1 0 336.432 3.234 20 5 EGBDRO CC[NH+](CC)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1C)c1ccco1 ZINC000067274121 453916500 /nfs/dbraw/zinc/91/65/00/453916500.db2.gz OXKHGHCGKJRPRF-INIZCTEOSA-N 1 0 345.399 3.309 20 5 EGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](c3nnc4ccccn43)C2)cc1 ZINC000076396385 453997380 /nfs/dbraw/zinc/99/73/80/453997380.db2.gz NPOHKSWRKMYOKH-OAHLLOKOSA-N 1 0 337.383 3.017 20 5 EGBDRO C[C@@H]1C[N@@H+](CCCNc2ccc3cc([N+](=O)[O-])ccc3n2)C[C@H](C)O1 ZINC000076581283 454017204 /nfs/dbraw/zinc/01/72/04/454017204.db2.gz JKDPDYBNBUIABU-OKILXGFUSA-N 1 0 344.415 3.054 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000076756520 454033921 /nfs/dbraw/zinc/03/39/21/454033921.db2.gz RKLMDBREXMKMHN-MRXNPFEDSA-N 1 0 327.384 3.290 20 5 EGBDRO CCc1ccc([C@@H]([NH2+]CC(C)(C)CO)c2ccc([N+](=O)[O-])cc2)o1 ZINC000612414683 460624025 /nfs/dbraw/zinc/62/40/25/460624025.db2.gz YNNILGSQVYUXHR-KRWDZBQOSA-N 1 0 332.400 3.448 20 5 EGBDRO Cc1ccc(NC(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000043147139 454044705 /nfs/dbraw/zinc/04/47/05/454044705.db2.gz KLYUHVPFVWGIFY-GXTWGEPZSA-N 1 0 334.420 3.145 20 5 EGBDRO C[C@@H](c1ccco1)[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000086235446 454045064 /nfs/dbraw/zinc/04/50/64/454045064.db2.gz NUSCWAQNNXTZRR-BBRMVZONSA-N 1 0 346.383 3.153 20 5 EGBDRO CC1CC[NH+](CCNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000043341518 454056931 /nfs/dbraw/zinc/05/69/31/454056931.db2.gz HDIWXPYSUWZLCU-UHFFFAOYSA-N 1 0 340.811 3.102 20 5 EGBDRO CC1CC[NH+](CCCCNC(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000087122508 454064100 /nfs/dbraw/zinc/06/41/00/454064100.db2.gz MIPYCMGFQBUKAR-UHFFFAOYSA-N 1 0 347.459 3.156 20 5 EGBDRO Cc1c(NC(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000056530752 454065411 /nfs/dbraw/zinc/06/54/11/454065411.db2.gz BFZPEKIINMDCTN-MJBXVCDLSA-N 1 0 348.447 3.391 20 5 EGBDRO C[NH+](C)CCc1ccc(NC(=O)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000087238685 454071807 /nfs/dbraw/zinc/07/18/07/454071807.db2.gz HEHCDURFFVEKMV-UHFFFAOYSA-N 1 0 341.411 3.270 20 5 EGBDRO C[C@@H]1CC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)[C@H](C)C1 ZINC000077320342 454090728 /nfs/dbraw/zinc/09/07/28/454090728.db2.gz TWPGRSZLRGAOSZ-CHWSQXEVSA-N 1 0 333.388 3.013 20 5 EGBDRO CCc1ccc([C@H](CNC(=O)c2csc([N+](=O)[O-])c2)[NH+](C)C)cc1 ZINC000044314609 454096772 /nfs/dbraw/zinc/09/67/72/454096772.db2.gz PVZISGWHYANFLR-HNNXBMFYSA-N 1 0 347.440 3.251 20 5 EGBDRO Cc1c(NC(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000045960161 454201157 /nfs/dbraw/zinc/20/11/57/454201157.db2.gz OZDQCAAREGXWOH-STQMWFEESA-N 1 0 334.420 3.288 20 5 EGBDRO CC[C@H](C)[N@H+](Cc1ccccc1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000078252165 454216725 /nfs/dbraw/zinc/21/67/25/454216725.db2.gz IXCGPXYLUIISBD-AWEZNQCLSA-N 1 0 341.411 3.494 20 5 EGBDRO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000090201612 454293099 /nfs/dbraw/zinc/29/30/99/454293099.db2.gz WUAQKMQYIKEOLS-AWEZNQCLSA-N 1 0 335.404 3.084 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCN(C3CCCCC3)C2=O)cc1[N+](=O)[O-] ZINC000090464017 454309777 /nfs/dbraw/zinc/30/97/77/454309777.db2.gz CXYZDLMRZJQOJH-YOEHRIQHSA-N 1 0 345.443 3.487 20 5 EGBDRO Cc1ccc(C(=O)NCCCC[N@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000046988514 454311756 /nfs/dbraw/zinc/31/17/56/454311756.db2.gz BQNUZMHGJPOBLK-OAHLLOKOSA-N 1 0 333.432 3.288 20 5 EGBDRO C[NH+](C)CCN(Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000072728255 454334742 /nfs/dbraw/zinc/33/47/42/454334742.db2.gz PNGDDGGSRVEGDS-UHFFFAOYSA-N 1 0 342.399 3.191 20 5 EGBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000047215218 454340921 /nfs/dbraw/zinc/34/09/21/454340921.db2.gz AJHSOUCRRMAGJY-IYBDPMFKSA-N 1 0 347.459 3.012 20 5 EGBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccc([S@@](C)=O)cc1 ZINC000090910172 454349584 /nfs/dbraw/zinc/34/95/84/454349584.db2.gz JATGUGJZBJHPQD-ZLOXQWCVSA-N 1 0 332.425 3.226 20 5 EGBDRO COCCc1nc(C)c([C@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)s1 ZINC000090910284 454350381 /nfs/dbraw/zinc/35/03/81/454350381.db2.gz KJGWUQCPTGKZJR-LBPRGKRZSA-N 1 0 349.456 3.442 20 5 EGBDRO CC(=O)Nc1cccc([C@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)c1 ZINC000090909964 454350451 /nfs/dbraw/zinc/35/04/51/454350451.db2.gz AXGRJVIRYMVSDE-ZDUSSCGKSA-N 1 0 327.384 3.447 20 5 EGBDRO CC[C@@H](CSC)[N@H+](C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000091097902 454383460 /nfs/dbraw/zinc/38/34/60/454383460.db2.gz PYUXESQTEIKOMW-ZDUSSCGKSA-N 1 0 339.461 3.305 20 5 EGBDRO O=C(NC1CC[NH+](CC2CCCC2)CC1)c1ccc([N+](=O)[O-])s1 ZINC000063273295 454400781 /nfs/dbraw/zinc/40/07/81/454400781.db2.gz YTFQZOKWGZHYOS-UHFFFAOYSA-N 1 0 337.445 3.041 20 5 EGBDRO C[C@H]1CCCN(C(=O)C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000048047503 454435775 /nfs/dbraw/zinc/43/57/75/454435775.db2.gz REOHIBBMHCYETP-HNNXBMFYSA-N 1 0 345.443 3.065 20 5 EGBDRO CC(C)C[N@@H+]1CCO[C@H](CNc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000098078748 454452658 /nfs/dbraw/zinc/45/26/58/454452658.db2.gz ZDDIAQUENDCWEV-CYBMUJFWSA-N 1 0 327.812 3.017 20 5 EGBDRO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2C2CCC2)c([N+](=O)[O-])c1 ZINC000102926439 454526588 /nfs/dbraw/zinc/52/65/88/454526588.db2.gz NDFXYUZEDXAWGM-INIZCTEOSA-N 1 0 347.415 3.197 20 5 EGBDRO Cc1c(C[N@H+](CCO)[C@@H]2CCc3ccccc32)cccc1[N+](=O)[O-] ZINC000074311932 454560697 /nfs/dbraw/zinc/56/06/97/454560697.db2.gz VGXJHFPHAXWIGE-LJQANCHMSA-N 1 0 326.396 3.385 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[N@@H+](CCO)[C@@H]2CCc3ccccc32)cc1 ZINC000074311813 454561712 /nfs/dbraw/zinc/56/17/12/454561712.db2.gz VQRLFACFTCHHJH-LJQANCHMSA-N 1 0 326.396 3.119 20 5 EGBDRO Cc1cc(C(=O)N2CC[NH+](CC3CCCCC3)CC2)ccc1[N+](=O)[O-] ZINC000050008996 454569326 /nfs/dbraw/zinc/56/93/26/454569326.db2.gz DHTZLKSVFGUNOL-UHFFFAOYSA-N 1 0 345.443 3.241 20 5 EGBDRO C[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCCCCC1 ZINC000182194792 455458417 /nfs/dbraw/zinc/45/84/17/455458417.db2.gz DTGMPUURMHDGEC-UHFFFAOYSA-N 1 0 340.445 3.023 20 5 EGBDRO CC[C@@H](CNc1ccc([N+](=O)[O-])c(OC(F)F)c1)[NH+]1CCCC1 ZINC000092607767 454593537 /nfs/dbraw/zinc/59/35/37/454593537.db2.gz RPDSETNNAXMPSU-LBPRGKRZSA-N 1 0 329.347 3.483 20 5 EGBDRO C[C@@H]1C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CCS1 ZINC000104695340 454596661 /nfs/dbraw/zinc/59/66/61/454596661.db2.gz AXMNNHXSPCOSKC-GFCCVEGCSA-N 1 0 333.413 3.230 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CC[C@H](C[NH+]3CCCCC3)C2)c2ncccc12 ZINC000092657738 454602636 /nfs/dbraw/zinc/60/26/36/454602636.db2.gz QSHZXDBGEJYFEO-OAHLLOKOSA-N 1 0 340.427 3.455 20 5 EGBDRO CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000051050744 454605992 /nfs/dbraw/zinc/60/59/92/454605992.db2.gz KRRPEVCQKAOUAH-YOEHRIQHSA-N 1 0 347.459 3.420 20 5 EGBDRO Cc1cc(NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000074747753 454628744 /nfs/dbraw/zinc/62/87/44/454628744.db2.gz NFTUSDPLZQIWQJ-KRWDZBQOSA-N 1 0 340.427 3.275 20 5 EGBDRO Cc1cc(N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000074767825 454632604 /nfs/dbraw/zinc/63/26/04/454632604.db2.gz ZJPUHTBWVROQDG-MRXNPFEDSA-N 1 0 326.400 3.009 20 5 EGBDRO CSC[C@@H]1CCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000135483207 454682474 /nfs/dbraw/zinc/68/24/74/454682474.db2.gz XHBHAZUROAZWFB-AWEZNQCLSA-N 1 0 337.445 3.059 20 5 EGBDRO CCc1oc2ccccc2c1C[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176198542 454710585 /nfs/dbraw/zinc/71/05/85/454710585.db2.gz UBEHURIPNSQMGA-UHFFFAOYSA-N 1 0 328.372 3.232 20 5 EGBDRO O=C(CC[N@@H+]1CCCc2ccccc2C1)Nc1ccccc1[N+](=O)[O-] ZINC000106888254 454728372 /nfs/dbraw/zinc/72/83/72/454728372.db2.gz YLUHOEYIQZRNDI-UHFFFAOYSA-N 1 0 339.395 3.372 20 5 EGBDRO CC[C@@H](NC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000176687328 454771815 /nfs/dbraw/zinc/77/18/15/454771815.db2.gz LSTKSJOPFGRLRK-RHSMWYFYSA-N 1 0 348.447 3.029 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000162638115 454789676 /nfs/dbraw/zinc/78/96/76/454789676.db2.gz PDAWFXPIRVAIPQ-CQSZACIVSA-N 1 0 334.420 3.289 20 5 EGBDRO CCCO[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000108391304 454796023 /nfs/dbraw/zinc/79/60/23/454796023.db2.gz NLFZEZFAYPZPJO-WMLDXEAASA-N 1 0 349.431 3.203 20 5 EGBDRO CCOC(=O)c1cc(NC2CC[NH+](CC3CC3)CC2)ccc1[N+](=O)[O-] ZINC000176926952 454799465 /nfs/dbraw/zinc/79/94/65/454799465.db2.gz UORMSWPMRXPLDD-UHFFFAOYSA-N 1 0 347.415 3.058 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)cnc1NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000153517576 454801724 /nfs/dbraw/zinc/80/17/24/454801724.db2.gz KYJOOJDLBAXHOX-CYBMUJFWSA-N 1 0 336.779 3.485 20 5 EGBDRO CCN(Cc1ccoc1)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000153553484 454806044 /nfs/dbraw/zinc/80/60/44/454806044.db2.gz MCDFKLJRQZXRHV-GFCCVEGCSA-N 1 0 347.371 3.046 20 5 EGBDRO C[NH+](C)C[C@@H]1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000125517357 454829503 /nfs/dbraw/zinc/82/95/03/454829503.db2.gz SSFABCQSCWTRGZ-AWEZNQCLSA-N 1 0 329.400 3.238 20 5 EGBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000246399078 455483337 /nfs/dbraw/zinc/48/33/37/455483337.db2.gz RKGLCBWIKRQKMT-CABCVRRESA-N 1 0 348.447 3.029 20 5 EGBDRO Cc1cccc([C@@H]2CCC[N@@H+]2C[C@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000154466767 454899601 /nfs/dbraw/zinc/89/96/01/454899601.db2.gz CBCFNVUMWOQVFQ-ROUUACIJSA-N 1 0 327.384 3.169 20 5 EGBDRO C[C@H]1C[C@@H](N(C)c2ccc([N+](=O)[O-])cn2)CC[N@@H+]1Cc1ccccc1 ZINC000150876428 454906789 /nfs/dbraw/zinc/90/67/89/454906789.db2.gz AGSZKKNLBYYFOJ-RDJZCZTQSA-N 1 0 340.427 3.479 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCCC1CC[NH+](C)CC1 ZINC000127727234 454991793 /nfs/dbraw/zinc/99/17/93/454991793.db2.gz OIVDSVPRAUHNBG-UHFFFAOYSA-N 1 0 334.420 3.065 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000127872411 455005286 /nfs/dbraw/zinc/00/52/86/455005286.db2.gz FNSUUDFJHAMQKN-JSGCOSHPSA-N 1 0 348.447 3.454 20 5 EGBDRO CCOCCC[N@@H+]1CC[C@@H](Nc2ccc(F)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000115521205 455018611 /nfs/dbraw/zinc/01/86/11/455018611.db2.gz DRJRJSMLOWADBP-UKRRQHHQSA-N 1 0 339.411 3.283 20 5 EGBDRO CCOCCC[N@@H+]1CC[C@H](Nc2ccc(F)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000115521202 455018917 /nfs/dbraw/zinc/01/89/17/455018917.db2.gz DRJRJSMLOWADBP-HIFRSBDPSA-N 1 0 339.411 3.283 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]Cc1ccccc1CO)C1CC1 ZINC000151776406 455029342 /nfs/dbraw/zinc/02/93/42/455029342.db2.gz XPPURUZGZCGSCY-SFHVURJKSA-N 1 0 326.396 3.198 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@]4(CCOC4)C3)o2)cc1 ZINC000180135776 455137622 /nfs/dbraw/zinc/13/76/22/455137622.db2.gz OMYYUEIYNLBUQB-SFHVURJKSA-N 1 0 328.368 3.467 20 5 EGBDRO CCN(CCC[NH+]1CCCC1)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000189435561 455195702 /nfs/dbraw/zinc/19/57/02/455195702.db2.gz ZYFBHYIILVEFPF-UHFFFAOYSA-N 1 0 334.420 3.243 20 5 EGBDRO C[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000245443723 455301276 /nfs/dbraw/zinc/30/12/76/455301276.db2.gz JAXOQFKOJDUQFC-CKEIUWERSA-N 1 0 331.416 3.211 20 5 EGBDRO C[C@@H](CCNC(=O)c1csc([N+](=O)[O-])c1)[N@H+](C)Cc1ccccc1 ZINC000173611116 455315923 /nfs/dbraw/zinc/31/59/23/455315923.db2.gz KDEPMGYGNIGXDD-ZDUSSCGKSA-N 1 0 347.440 3.297 20 5 EGBDRO CC[C@@H](C)C[N@H+](CC)[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000245762527 455374725 /nfs/dbraw/zinc/37/47/25/455374725.db2.gz ISYHZRHGNVJWTO-CHWSQXEVSA-N 1 0 337.420 3.298 20 5 EGBDRO C[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000265867816 455396970 /nfs/dbraw/zinc/39/69/70/455396970.db2.gz UTIXPCGKXGYXGR-CJNGLKHVSA-N 1 0 349.431 3.330 20 5 EGBDRO C[C@@H](c1ccco1)[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000182202408 455459263 /nfs/dbraw/zinc/45/92/63/455459263.db2.gz YQEZHOFNKBPXHB-ZFWWWQNUSA-N 1 0 346.383 3.153 20 5 EGBDRO CS[C@@H]1CCCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000246270764 455461801 /nfs/dbraw/zinc/46/18/01/455461801.db2.gz ADOYQPXRIRDMHY-QWHCGFSZSA-N 1 0 337.445 3.139 20 5 EGBDRO Nc1c(F)c(NC[C@H](c2ccco2)[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000266850867 455462327 /nfs/dbraw/zinc/46/23/27/455462327.db2.gz KZMNPNAQAVWRPL-CYBMUJFWSA-N 1 0 334.351 3.158 20 5 EGBDRO C[C@H]([NH2+]C[C@@H](CO)Cc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000266852846 455463232 /nfs/dbraw/zinc/46/32/32/455463232.db2.gz JHEHYCBYCWFZGQ-ZFWWWQNUSA-N 1 0 332.375 3.236 20 5 EGBDRO C[C@H](c1ccccc1F)[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182215403 455463663 /nfs/dbraw/zinc/46/36/63/455463663.db2.gz LDGIPJPNYFIIRD-KGLIPLIRSA-N 1 0 348.374 3.167 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC2CC[NH+](C3CCCC3)CC2)c1 ZINC000267178556 455512407 /nfs/dbraw/zinc/51/24/07/455512407.db2.gz XOKLGXAFRDRXPZ-UHFFFAOYSA-N 1 0 331.416 3.040 20 5 EGBDRO CC(C)(C)OC(=O)NC[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000185203443 455520875 /nfs/dbraw/zinc/52/08/75/455520875.db2.gz SOMOHLURXBAXBN-MRXNPFEDSA-N 1 0 349.431 3.030 20 5 EGBDRO CCN(CC)C(=O)CCC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000182566385 455542664 /nfs/dbraw/zinc/54/26/64/455542664.db2.gz IKQHKWNMFDTMCA-UHFFFAOYSA-N 1 0 347.459 3.455 20 5 EGBDRO Cc1ccc(CC[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)cn1 ZINC000161546792 455579409 /nfs/dbraw/zinc/57/94/09/455579409.db2.gz OYJCNYMUUCDRCG-GOSISDBHSA-N 1 0 325.412 3.452 20 5 EGBDRO O=C1CCCCCN1CCC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192603857 455650975 /nfs/dbraw/zinc/65/09/75/455650975.db2.gz BSIUQQILUPXBHK-GOSISDBHSA-N 1 0 345.443 3.355 20 5 EGBDRO CC[C@H](C)[N@H+](C)CCNC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000284223272 455652865 /nfs/dbraw/zinc/65/28/65/455652865.db2.gz ZXCANHWZNNHSSA-JTQLQIEISA-N 1 0 328.800 3.100 20 5 EGBDRO CC[C@H](NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000271493888 455659170 /nfs/dbraw/zinc/65/91/70/455659170.db2.gz KVZHCZTXESYTSQ-FHWLQOOXSA-N 1 0 347.459 3.013 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+][C@@H](CO)Cc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000271497636 455660471 /nfs/dbraw/zinc/66/04/71/455660471.db2.gz LRDLXAXCMDGEEE-SUMWQHHRSA-N 1 0 332.375 3.297 20 5 EGBDRO CN(CCC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)CC(F)(F)F ZINC000192673081 455665508 /nfs/dbraw/zinc/66/55/08/455665508.db2.gz KQHDEECNMCYQTF-OAHLLOKOSA-N 1 0 345.365 3.446 20 5 EGBDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)c(OC)c1 ZINC000284319199 455667664 /nfs/dbraw/zinc/66/76/64/455667664.db2.gz ZRNHCWVBARWUOP-NSHDSACASA-N 1 0 331.372 3.045 20 5 EGBDRO C[C@@H]1C[C@H](C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CCO1 ZINC000271530208 455674034 /nfs/dbraw/zinc/67/40/34/455674034.db2.gz RGRXJENUZGHBOA-GHMZBOCLSA-N 1 0 330.331 3.101 20 5 EGBDRO C[C@@H]1CN(Cc2cc(=O)oc3ccc4ccccc4c23)C[C@H]1[NH+](C)C ZINC000271570324 455688108 /nfs/dbraw/zinc/68/81/08/455688108.db2.gz ONZCOLVOLWDKEA-RDTXWAMCSA-N 1 0 336.435 3.328 20 5 EGBDRO CC[C@H]([NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])[C@@H](O)C(F)(F)F ZINC000271583757 455693092 /nfs/dbraw/zinc/69/30/92/455693092.db2.gz XIWYPGONJKYBLY-VHRBIJSZSA-N 1 0 334.338 3.207 20 5 EGBDRO C[C@H](c1ccccc1F)[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248373757 455708351 /nfs/dbraw/zinc/70/83/51/455708351.db2.gz LDGIPJPNYFIIRD-ZIAGYGMSSA-N 1 0 348.374 3.167 20 5 EGBDRO Cc1nc(N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)ccc1[N+](=O)[O-] ZINC000268535316 455709375 /nfs/dbraw/zinc/70/93/75/455709375.db2.gz YDYQFLBMUITSES-GDBMZVCRSA-N 1 0 332.448 3.389 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCCOC[C@@H]1CCOC1)CCC2 ZINC000192889358 455712925 /nfs/dbraw/zinc/71/29/25/455712925.db2.gz DLPTXWGQDYBTNE-KSSFIOAISA-N 1 0 334.416 3.005 20 5 EGBDRO C[N@@H+]1CCC[C@H]2CN(c3ccc4cc([N+](=O)[O-])ccc4n3)CC[C@H]21 ZINC000268807367 455714181 /nfs/dbraw/zinc/71/41/81/455714181.db2.gz GACHPUKPAUQXHJ-WMLDXEAASA-N 1 0 326.400 3.064 20 5 EGBDRO C[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@@H]2CCCC[C@H]21 ZINC000248419666 455714704 /nfs/dbraw/zinc/71/47/04/455714704.db2.gz LEEWECDXNOLMSF-OAUYIBNBSA-N 1 0 332.400 3.472 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCCNc1ccccn1)CCC2 ZINC000192937518 455721676 /nfs/dbraw/zinc/72/16/76/455721676.db2.gz WIZBFBHCOAENET-QGZVFWFLSA-N 1 0 326.400 3.459 20 5 EGBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])[C@@H]1Oc1ccccc1 ZINC000186259065 455727591 /nfs/dbraw/zinc/72/75/91/455727591.db2.gz AJVZYBAQRXHEOJ-QRQLOZEOSA-N 1 0 342.395 3.309 20 5 EGBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@@H]2CCOC3(CCC3)C2)c1 ZINC000268951948 455742038 /nfs/dbraw/zinc/74/20/38/455742038.db2.gz DQUBQZYYQLLJKV-GFCCVEGCSA-N 1 0 342.342 3.388 20 5 EGBDRO COc1cc(C[NH2+][C@H]2CCCO[C@@H]2CC(C)C)c([N+](=O)[O-])cc1F ZINC000186400971 455760988 /nfs/dbraw/zinc/76/09/88/455760988.db2.gz KFAQLAOUZRTZNP-WMLDXEAASA-N 1 0 340.395 3.426 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000278212322 455787671 /nfs/dbraw/zinc/78/76/71/455787671.db2.gz DKDIAAAFGXDABP-UHFFFAOYSA-N 1 0 345.443 3.124 20 5 EGBDRO C[C@@H](CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)[N@@H+]1CCC[C@H](C)C1 ZINC000193959002 455787795 /nfs/dbraw/zinc/78/77/95/455787795.db2.gz JJRPWEGEHSJJEG-STQMWFEESA-N 1 0 346.431 3.012 20 5 EGBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](CC3CC3)CC2)c2ncccc12 ZINC000194088724 455800937 /nfs/dbraw/zinc/80/09/37/455800937.db2.gz NJSSVTHSVPNEST-UHFFFAOYSA-N 1 0 326.400 3.429 20 5 EGBDRO O=[N+]([O-])c1ccc2nc(NC3CC[NH+](CC4CC4)CC3)ccc2c1 ZINC000194089854 455801556 /nfs/dbraw/zinc/80/15/56/455801556.db2.gz BDOFSVDFJNLPTI-UHFFFAOYSA-N 1 0 326.400 3.429 20 5 EGBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000285306315 455822107 /nfs/dbraw/zinc/82/21/07/455822107.db2.gz SGYFASIDGHSVFJ-MNOVXSKESA-N 1 0 330.344 3.497 20 5 EGBDRO COC(=O)c1ccc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])s1 ZINC000285357786 455829980 /nfs/dbraw/zinc/82/99/80/455829980.db2.gz PZQKVKKFZAIPJY-UHFFFAOYSA-N 1 0 334.397 3.117 20 5 EGBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2C[C@H](c3ccccc3)[C@H]3CCC[C@@H]32)c1 ZINC000285384933 455833898 /nfs/dbraw/zinc/83/38/98/455833898.db2.gz GXDFESZEEAGQLO-KURKYZTESA-N 1 0 326.400 3.059 20 5 EGBDRO COC(=O)N1CCC([C@@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000186770416 455834253 /nfs/dbraw/zinc/83/42/53/455834253.db2.gz OXOZXBPPNVMMED-KGLIPLIRSA-N 1 0 349.431 3.421 20 5 EGBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000285721305 455904034 /nfs/dbraw/zinc/90/40/34/455904034.db2.gz ILKAGOCZUXMENH-IUODEOHRSA-N 1 0 343.383 3.040 20 5 EGBDRO Cc1c([C@@H](C)[NH2+][C@@H]2CCC(=O)N[C@H]2C(C)(C)C)cccc1[N+](=O)[O-] ZINC000285738187 455907230 /nfs/dbraw/zinc/90/72/30/455907230.db2.gz REWGBXTWYSCDIF-SUYBPPKGSA-N 1 0 333.432 3.247 20 5 EGBDRO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000272373050 455930415 /nfs/dbraw/zinc/93/04/15/455930415.db2.gz AZEKULIIDQWXPM-ZFWWWQNUSA-N 1 0 349.431 3.330 20 5 EGBDRO O=C(NCC[NH2+]C1CCCCCC1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000261790945 455948539 /nfs/dbraw/zinc/94/85/39/455948539.db2.gz SZPDCAQVPNEYQN-UHFFFAOYSA-N 1 0 339.823 3.290 20 5 EGBDRO C[C@@]1(C(N)=O)CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000280378628 455958033 /nfs/dbraw/zinc/95/80/33/455958033.db2.gz VYCBRICMUZZNBR-QGZVFWFLSA-N 1 0 345.424 3.021 20 5 EGBDRO CC(C)(C)[NH+]1CCC(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000195497197 455969414 /nfs/dbraw/zinc/96/94/14/455969414.db2.gz BCKPDYGVDDINKI-UHFFFAOYSA-N 1 0 344.415 3.069 20 5 EGBDRO C[C@@H]1CCC[C@@H](CO)[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000272696770 456042988 /nfs/dbraw/zinc/04/29/88/456042988.db2.gz VJWMHDKICHALSJ-CJNGLKHVSA-N 1 0 345.399 3.028 20 5 EGBDRO Cc1ccnc(NCCC[N@@H+]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000301300330 456084341 /nfs/dbraw/zinc/08/43/41/456084341.db2.gz QSZHKDMDUWXEAC-UHFFFAOYSA-N 1 0 326.400 3.159 20 5 EGBDRO Cc1cc(NCCCO[C@H]2CCOC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272899615 456106612 /nfs/dbraw/zinc/10/66/12/456106612.db2.gz ZQILCHDCCAOCFP-AWEZNQCLSA-N 1 0 331.372 3.059 20 5 EGBDRO Cc1ccnc(N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000301437989 456115361 /nfs/dbraw/zinc/11/53/61/456115361.db2.gz NIZQWLOHZJDOGD-QGZVFWFLSA-N 1 0 340.427 3.399 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000289860025 456157463 /nfs/dbraw/zinc/15/74/63/456157463.db2.gz RAIXXIBBPJHBKN-UHFFFAOYSA-N 1 0 346.431 3.153 20 5 EGBDRO Cc1cc(N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000301610525 456160816 /nfs/dbraw/zinc/16/08/16/456160816.db2.gz CPCCRNVZMMUGBK-ZBFHGGJFSA-N 1 0 326.400 3.373 20 5 EGBDRO CC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCOC(C)(C)C1 ZINC000289884434 456168924 /nfs/dbraw/zinc/16/89/24/456168924.db2.gz RNISNNVPSRKIDP-AWEZNQCLSA-N 1 0 349.431 3.203 20 5 EGBDRO Cc1ccccc1C[C@@H](CO)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000188918619 456170162 /nfs/dbraw/zinc/17/01/62/456170162.db2.gz OSRAWIGZPOXSKB-OPUMOTSWSA-N 1 0 326.396 3.110 20 5 EGBDRO Cc1nc(N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000301639974 456172034 /nfs/dbraw/zinc/17/20/34/456172034.db2.gz GFPKUVOKVKZPMY-CJNGLKHVSA-N 1 0 326.400 3.373 20 5 EGBDRO Cc1nc(NC[C@H](C)[N@@H+]2CCc3sccc3C2)ccc1[N+](=O)[O-] ZINC000301671594 456181369 /nfs/dbraw/zinc/18/13/69/456181369.db2.gz ZDASTHQRURZPAB-NSHDSACASA-N 1 0 332.429 3.218 20 5 EGBDRO C[NH+](C)[C@H](CNc1ncc(Cl)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000301727409 456199492 /nfs/dbraw/zinc/19/94/92/456199492.db2.gz BGBRINVEZXRWQD-CQSZACIVSA-N 1 0 338.770 3.497 20 5 EGBDRO C[N@H+](CCNc1ncc(Cl)cc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000301741176 456202629 /nfs/dbraw/zinc/20/26/29/456202629.db2.gz KWVDNFWRDUCLDN-UHFFFAOYSA-N 1 0 338.770 3.326 20 5 EGBDRO CCc1ccc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000237140384 456237947 /nfs/dbraw/zinc/23/79/47/456237947.db2.gz VVUGFGDCMSFBCQ-MRXNPFEDSA-N 1 0 326.400 3.239 20 5 EGBDRO CCC(=O)c1ccc(NCCC[N@@H+]2CCCO[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000281560883 456265707 /nfs/dbraw/zinc/26/57/07/456265707.db2.gz UNSASVAULHRREO-CQSZACIVSA-N 1 0 349.431 3.100 20 5 EGBDRO CC[NH+]1CCC(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC1 ZINC000275418464 456274223 /nfs/dbraw/zinc/27/42/23/456274223.db2.gz DJVONOXHZRSTPD-UHFFFAOYSA-N 1 0 349.434 3.308 20 5 EGBDRO CC[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000297818001 456301624 /nfs/dbraw/zinc/30/16/24/456301624.db2.gz IZWLJJJUTMSINK-ZDUSSCGKSA-N 1 0 335.404 3.197 20 5 EGBDRO CCOc1cccc(N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000302167976 456305415 /nfs/dbraw/zinc/30/54/15/456305415.db2.gz SGSAVKDGIFCEBU-ZBFHGGJFSA-N 1 0 345.443 3.447 20 5 EGBDRO CS[C@H]1CN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000340198319 456309960 /nfs/dbraw/zinc/30/99/60/456309960.db2.gz AUPUMOFXBASEFF-OLZOCXBDSA-N 1 0 349.378 3.095 20 5 EGBDRO Cc1nc(N[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000302188783 456310631 /nfs/dbraw/zinc/31/06/31/456310631.db2.gz XLLGSAQPXBZJTI-CJNGLKHVSA-N 1 0 326.400 3.231 20 5 EGBDRO Cc1cc(C(=O)Nc2ccccc2CC[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000275894315 456345242 /nfs/dbraw/zinc/34/52/42/456345242.db2.gz SMNNYURZAUJDPN-UHFFFAOYSA-N 1 0 327.384 3.260 20 5 EGBDRO CCn1ccnc1[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000281874293 456346506 /nfs/dbraw/zinc/34/65/06/456346506.db2.gz RPFSXXDLDJLQDO-NSHDSACASA-N 1 0 334.401 3.240 20 5 EGBDRO CC(C)c1ccc(C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000275911302 456348512 /nfs/dbraw/zinc/34/85/12/456348512.db2.gz WENIQQHYWRGXRD-MRXNPFEDSA-N 1 0 345.443 3.419 20 5 EGBDRO C[C@@H](Nc1ncc([N+](=O)[O-])s1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000281913224 456358558 /nfs/dbraw/zinc/35/85/58/456358558.db2.gz NNOBBKLHYPDGIA-TZMCWYRMSA-N 1 0 332.429 3.374 20 5 EGBDRO C[NH+](C)[C@H](CNC(=O)c1cc2ccccc2c2cccnc12)C1CC1 ZINC000340318126 456385231 /nfs/dbraw/zinc/38/52/31/456385231.db2.gz TYQSMMHWNABOCB-LJQANCHMSA-N 1 0 333.435 3.458 20 5 EGBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1N[C@@H](C)[C@H](C)N1CCOCC1 ZINC000302810504 456407346 /nfs/dbraw/zinc/40/73/46/456407346.db2.gz GXPZIFUKTJGBTH-RYUDHWBXSA-N 1 0 327.812 3.078 20 5 EGBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000290708396 456410522 /nfs/dbraw/zinc/41/05/22/456410522.db2.gz WLLVMGUWDPKYSX-GFCCVEGCSA-N 1 0 339.461 3.167 20 5 EGBDRO COc1ccncc1C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000340402410 456439051 /nfs/dbraw/zinc/43/90/51/456439051.db2.gz FSDLVVFEIVUEAF-RHSMWYFYSA-N 1 0 341.411 3.499 20 5 EGBDRO CCC(CC)(CCO)[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000282348491 456486089 /nfs/dbraw/zinc/48/60/89/456486089.db2.gz CHODNNOWTZSBRO-UHFFFAOYSA-N 1 0 347.415 3.323 20 5 EGBDRO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)[NH+](C)C ZINC000343170026 456449247 /nfs/dbraw/zinc/44/92/47/456449247.db2.gz BLDLFEMBFQCQLN-GFCCVEGCSA-N 1 0 339.461 3.023 20 5 EGBDRO COc1cc(C[NH2+][C@H]2CC2(C)C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000340421360 456450526 /nfs/dbraw/zinc/45/05/26/456450526.db2.gz VIZAWBJXIRCACZ-ZDUSSCGKSA-N 1 0 348.321 3.433 20 5 EGBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)N1c2ccccc2C[C@H]1C ZINC000340430922 456455399 /nfs/dbraw/zinc/45/53/99/456455399.db2.gz IJAKDHUEJBXSKN-ZIAGYGMSSA-N 1 0 339.395 3.051 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000276379142 456463424 /nfs/dbraw/zinc/46/34/24/456463424.db2.gz FWLWCZQMWMMWAX-HNNXBMFYSA-N 1 0 346.431 3.304 20 5 EGBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@@H]1CCc2ccccc2C1 ZINC000303621717 456471424 /nfs/dbraw/zinc/47/14/24/456471424.db2.gz XBLWDBBWEMZYAT-QGZVFWFLSA-N 1 0 326.396 3.463 20 5 EGBDRO COCCC[NH+]1CCC(Nc2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000276544782 456510532 /nfs/dbraw/zinc/51/05/32/456510532.db2.gz DNGZETJWFSPWBE-UHFFFAOYSA-N 1 0 344.415 3.056 20 5 EGBDRO CCN(CCC[NH+]1CCCC1)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000276540312 456510789 /nfs/dbraw/zinc/51/07/89/456510789.db2.gz ZWMPJWGBIGGNIW-UHFFFAOYSA-N 1 0 344.415 3.024 20 5 EGBDRO C[C@H](CO)[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1CCCC1 ZINC000276593150 456524360 /nfs/dbraw/zinc/52/43/60/456524360.db2.gz QEWNTJRUMFLLLQ-CYBMUJFWSA-N 1 0 345.399 3.375 20 5 EGBDRO CCO[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000353158549 456529554 /nfs/dbraw/zinc/52/95/54/456529554.db2.gz WKFFIMSRNCDYJL-SJLPKXTDSA-N 1 0 346.383 3.138 20 5 EGBDRO Cc1cc(Cl)c(C(=O)N(C)CCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000298813587 456546144 /nfs/dbraw/zinc/54/61/44/456546144.db2.gz ALWJNGXDPWAVAZ-UHFFFAOYSA-N 1 0 339.823 3.115 20 5 EGBDRO Cn1cc(-c2ccc(C[NH2+]CCc3cccc([N+](=O)[O-])c3)s2)cn1 ZINC000337799853 456554890 /nfs/dbraw/zinc/55/48/90/456554890.db2.gz HQEUGWCKMNAYCG-UHFFFAOYSA-N 1 0 342.424 3.389 20 5 EGBDRO COc1cccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000298893114 456563953 /nfs/dbraw/zinc/56/39/53/456563953.db2.gz YINSFWSLHPVJKG-QWHCGFSZSA-N 1 0 343.383 3.281 20 5 EGBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@](CO)(Cc3ccccc3)C2)cc1 ZINC000291233550 456574278 /nfs/dbraw/zinc/57/42/78/456574278.db2.gz KNZCFYNSMDPQLV-FQEVSTJZSA-N 1 0 340.423 3.412 20 5 EGBDRO COc1cc(N[C@H]2CC[N@H+](Cc3ccccc3)C2)c(F)cc1[N+](=O)[O-] ZINC000310752616 456583089 /nfs/dbraw/zinc/58/30/89/456583089.db2.gz ISKCFZGNXVVGCG-AWEZNQCLSA-N 1 0 345.374 3.429 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)N(C)Cc2cccs2)cc1[N+](=O)[O-] ZINC000299099816 456605784 /nfs/dbraw/zinc/60/57/84/456605784.db2.gz UVFNBTDAMDTNDL-ZDUSSCGKSA-N 1 0 347.440 3.274 20 5 EGBDRO CC[N@H+](C[C@@H](C)OC)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000291326285 456607086 /nfs/dbraw/zinc/60/70/86/456607086.db2.gz VEUUCKOXFGDUCY-NEPJUHHUSA-N 1 0 334.376 3.063 20 5 EGBDRO CCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000353299908 456622301 /nfs/dbraw/zinc/62/23/01/456622301.db2.gz GPELONPPUFLVAZ-GFCCVEGCSA-N 1 0 340.811 3.244 20 5 EGBDRO CC(C)N(C)c1ccc(C[NH2+]CCc2ccccc2[N+](=O)[O-])cn1 ZINC000276948388 456628625 /nfs/dbraw/zinc/62/86/25/456628625.db2.gz IOBOGPXQVONLBE-UHFFFAOYSA-N 1 0 328.416 3.167 20 5 EGBDRO Cc1cc(NCCc2c[nH]c3ncccc23)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000340819072 456701786 /nfs/dbraw/zinc/70/17/86/456701786.db2.gz HVFFJWRWWYCXOJ-UHFFFAOYSA-N 1 0 347.378 3.404 20 5 EGBDRO Cc1ccc(C)c(OC[C@@H](O)C[NH2+]Cc2cccc([N+](=O)[O-])c2C)c1 ZINC000327568194 456707625 /nfs/dbraw/zinc/70/76/25/456707625.db2.gz YYGAFPZJKPRQEX-KRWDZBQOSA-N 1 0 344.411 3.050 20 5 EGBDRO Cc1ccc(C(C)(C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2C)cn1 ZINC000353561869 456763503 /nfs/dbraw/zinc/76/35/03/456763503.db2.gz AWUWEQMJDMCPGZ-UHFFFAOYSA-N 1 0 342.399 3.070 20 5 EGBDRO CCc1oc(C(=O)OC)cc1C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338391559 456789772 /nfs/dbraw/zinc/78/97/72/456789772.db2.gz ZKUMZTFWBSLFFK-UHFFFAOYSA-N 1 0 346.383 3.211 20 5 EGBDRO COC[C@@H]1CC[N@H+](Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C1 ZINC000353608034 456799072 /nfs/dbraw/zinc/79/90/72/456799072.db2.gz DAQGGSREWOELEY-CYBMUJFWSA-N 1 0 346.383 3.332 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@H](O)C(F)F)s1 ZINC000344777373 456858752 /nfs/dbraw/zinc/85/87/52/456858752.db2.gz QNFVOHUDFSYXPC-LBPRGKRZSA-N 1 0 328.340 3.039 20 5 EGBDRO COCCO[C@@H]1CCC[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000338958086 456877551 /nfs/dbraw/zinc/87/75/51/456877551.db2.gz RWSDKOJQQQPEKO-HAZIXKIPSA-N 1 0 334.416 3.126 20 5 EGBDRO COc1ccc(-c2ccc(C[N@@H+]3CCOC[C@@H](C)C3)o2)c([N+](=O)[O-])c1 ZINC000353743515 456884568 /nfs/dbraw/zinc/88/45/68/456884568.db2.gz XRGDCEXNOWFIJB-ZDUSSCGKSA-N 1 0 346.383 3.332 20 5 EGBDRO CN(CC[NH+]1CCCC1)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000349072539 456896206 /nfs/dbraw/zinc/89/62/06/456896206.db2.gz IZDJXKNUDMLRBD-UHFFFAOYSA-N 1 0 329.400 3.382 20 5 EGBDRO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)CC1CCOCC1 ZINC000339060759 456921566 /nfs/dbraw/zinc/92/15/66/456921566.db2.gz PGHROMITWSHSCD-UHFFFAOYSA-N 1 0 332.322 3.472 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(C)(C)CC1 ZINC000339257859 457023491 /nfs/dbraw/zinc/02/34/91/457023491.db2.gz IPTGNKDWNDQZAY-UHFFFAOYSA-N 1 0 335.404 3.054 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](C)C(C)(C)C1 ZINC000354041771 457028307 /nfs/dbraw/zinc/02/83/07/457028307.db2.gz DAKJYAVOURFBIJ-ZDUSSCGKSA-N 1 0 349.431 3.300 20 5 EGBDRO CCC[C@@H]([NH2+]C[C@@H]1CN(CC(C)C)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000359517176 457091205 /nfs/dbraw/zinc/09/12/05/457091205.db2.gz MXVWVLOFACGGOP-RTBURBONSA-N 1 0 349.475 3.382 20 5 EGBDRO C[C@@H]([NH2+][C@H]1CCCN(CC(C)(C)C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000330900474 457101726 /nfs/dbraw/zinc/10/17/26/457101726.db2.gz OKKMLITYXQIXBN-CJNGLKHVSA-N 1 0 333.432 3.283 20 5 EGBDRO C[C@@H]1CN(c2ncccc2[N+](=O)[O-])[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000346678178 457107784 /nfs/dbraw/zinc/10/77/84/457107784.db2.gz WUDLEBXWSBMHNF-CABCVRRESA-N 1 0 326.400 3.089 20 5 EGBDRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1c1ccc([N+](=O)[O-])cn1 ZINC000346677868 457108394 /nfs/dbraw/zinc/10/83/94/457108394.db2.gz WKZZQDQIJKNXQL-LSDHHAIUSA-N 1 0 326.400 3.089 20 5 EGBDRO CCCN(CC[NH+]1CCCC1)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342155534 457140455 /nfs/dbraw/zinc/14/04/55/457140455.db2.gz APHQVOISUQNGEJ-UHFFFAOYSA-N 1 0 344.415 3.024 20 5 EGBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C[C@@H]1C ZINC000354417872 457209655 /nfs/dbraw/zinc/20/96/55/457209655.db2.gz DQMYUKQGZXGIAX-GXTWGEPZSA-N 1 0 344.415 3.021 20 5 EGBDRO Cc1cc(NCCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000360074970 457240961 /nfs/dbraw/zinc/24/09/61/457240961.db2.gz SIGFNPINDXLSJN-KBPBESRZSA-N 1 0 339.411 3.344 20 5 EGBDRO C[C@@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC12CCC2 ZINC000357044097 457294192 /nfs/dbraw/zinc/29/41/92/457294192.db2.gz UWAPLXNYOWTBTB-CQSZACIVSA-N 1 0 331.416 3.436 20 5 EGBDRO CCOCC(C)(C)C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000342425131 457296799 /nfs/dbraw/zinc/29/67/99/457296799.db2.gz GACXLCPXNHHWBJ-UHFFFAOYSA-N 1 0 346.431 3.148 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2csc([C@@H]3C[N@@H+]4CCC[C@H]4CO3)n2)cc1 ZINC000363447112 457332045 /nfs/dbraw/zinc/33/20/45/457332045.db2.gz RVCIHMAGIYEKMH-ZFWWWQNUSA-N 1 0 331.397 3.254 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000347336753 457359972 /nfs/dbraw/zinc/35/99/72/457359972.db2.gz LKOXLPHIYVMXDC-OBHPCNEJSA-N 1 0 341.415 3.002 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCC[C@H]3C3CCC3)n2)c1 ZINC000373970929 457420174 /nfs/dbraw/zinc/42/01/74/457420174.db2.gz XPQUGRMCOBJRKH-HNNXBMFYSA-N 1 0 328.372 3.409 20 5 EGBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000360901838 457421545 /nfs/dbraw/zinc/42/15/45/457421545.db2.gz PUURHUMXKNQYGP-MRXNPFEDSA-N 1 0 343.431 3.196 20 5 EGBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(c2nc3sccn3c2[N+](=O)[O-])C1 ZINC000408062550 457557310 /nfs/dbraw/zinc/55/73/10/457557310.db2.gz PINIYVXDKMVSKU-XQQFMLRXSA-N 1 0 349.460 3.146 20 5 EGBDRO C[C@H](CCO)[N@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000357553279 457591749 /nfs/dbraw/zinc/59/17/49/457591749.db2.gz OVXVQDXOQYPYJK-MRXNPFEDSA-N 1 0 344.411 3.247 20 5 EGBDRO CCc1cnccc1[C@H](C)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000361135346 457605350 /nfs/dbraw/zinc/60/53/50/457605350.db2.gz MADZUWJEKCRJIE-ZDUSSCGKSA-N 1 0 342.399 3.232 20 5 EGBDRO C[C@H]1C[C@@H](CCNc2ncc([N+](=O)[O-])s2)C[N@@H+]1Cc1ccccc1 ZINC000409730065 457616052 /nfs/dbraw/zinc/61/60/52/457616052.db2.gz GHIAEGIWPFNSSE-DZGCQCFKSA-N 1 0 346.456 3.186 20 5 EGBDRO C[C@@H]1CN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@@H](C)C[N@@H+]1C ZINC000361165486 457624587 /nfs/dbraw/zinc/62/45/87/457624587.db2.gz JNPBQVAHZIKGKI-OLZOCXBDSA-N 1 0 346.456 3.243 20 5 EGBDRO CCO[C@H]1C[C@H]([N@H+](C)CCOc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000357802037 457695392 /nfs/dbraw/zinc/69/53/92/457695392.db2.gz LDOFTRZKEZPOOX-IRXDYDNUSA-N 1 0 334.416 3.253 20 5 EGBDRO COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000358008080 457738667 /nfs/dbraw/zinc/73/86/67/457738667.db2.gz ATORLIRDHPTUHK-LBPRGKRZSA-N 1 0 343.383 3.413 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](CC1CCC1)[C@H](C)CO ZINC000361483062 457746311 /nfs/dbraw/zinc/74/63/11/457746311.db2.gz BVHGSADKFOWJAR-CQSZACIVSA-N 1 0 336.432 3.365 20 5 EGBDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cccc4cc[nH]c43)CC2)n1 ZINC000425973321 457750254 /nfs/dbraw/zinc/75/02/54/457750254.db2.gz HVRGOEJDPUYQKZ-UHFFFAOYSA-N 1 0 325.372 3.110 20 5 EGBDRO O=C1CCC[C@@H](C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)N1 ZINC000433194973 457774562 /nfs/dbraw/zinc/77/45/62/457774562.db2.gz PLHMFENGTXJMMK-ZDUSSCGKSA-N 1 0 345.424 3.082 20 5 EGBDRO C[C@H]([NH2+]CCCN(C(=O)C1CCC1)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000358087045 457777284 /nfs/dbraw/zinc/77/72/84/457777284.db2.gz XHJMBIQKFAOLCQ-AWEZNQCLSA-N 1 0 345.443 3.427 20 5 EGBDRO CC1(C)C[C@@H]([NH2+]CCNc2ccccn2)c2cc([N+](=O)[O-])ccc21 ZINC000433251877 457791327 /nfs/dbraw/zinc/79/13/27/457791327.db2.gz JORIXXFFUBUYRM-MRXNPFEDSA-N 1 0 326.400 3.414 20 5 EGBDRO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000443643440 457796570 /nfs/dbraw/zinc/79/65/70/457796570.db2.gz VLGOOULCVADFOA-MCIONIFRSA-N 1 0 349.431 3.298 20 5 EGBDRO CC(C)(C)N1C[C@H]([NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1=O ZINC000433281094 457797231 /nfs/dbraw/zinc/79/72/31/457797231.db2.gz AQKLBRYLGHPDEQ-MLGOLLRUSA-N 1 0 345.443 3.306 20 5 EGBDRO C[C@@H]1CC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@@H](C)C1 ZINC000443656475 457798417 /nfs/dbraw/zinc/79/84/17/457798417.db2.gz LOXXCMYAFBZNTH-JKIFEVAISA-N 1 0 331.416 3.068 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000371135149 457802983 /nfs/dbraw/zinc/80/29/83/457802983.db2.gz XVYXEZIRAFSPPX-HNNXBMFYSA-N 1 0 346.431 3.304 20 5 EGBDRO O=C(CC[N@@H+]1CCC[C@H]1c1ccc[nH]1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411342611 457861129 /nfs/dbraw/zinc/86/11/29/457861129.db2.gz SUHPYTLDSUPAMK-INIZCTEOSA-N 1 0 328.372 3.089 20 5 EGBDRO C[C@H]([NH2+][C@H]1CCN(c2ccc(F)cc2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000411457189 457893598 /nfs/dbraw/zinc/89/35/98/457893598.db2.gz NEUMNVNPMWWWGP-SJCJKPOMSA-N 1 0 343.358 3.190 20 5 EGBDRO CCC[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H](C)c1ccccc1OC ZINC000358259247 457893974 /nfs/dbraw/zinc/89/39/74/457893974.db2.gz GYSXRHXAQAWGSG-AWEZNQCLSA-N 1 0 332.404 3.273 20 5 EGBDRO CCn1cc([C@H]2OCCC[C@@H]2[NH2+]Cc2ccc([N+](=O)[O-])cc2C)cn1 ZINC000433928607 457915123 /nfs/dbraw/zinc/91/51/23/457915123.db2.gz BHHWGWQNPIGPCF-ZWKOTPCHSA-N 1 0 344.415 3.130 20 5 EGBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000358304392 457921952 /nfs/dbraw/zinc/92/19/52/457921952.db2.gz ZUDYCOQSIXVSJY-INIZCTEOSA-N 1 0 348.447 3.004 20 5 EGBDRO CC[C@H]1CCCC[C@@H]1[N@H+](C)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000444666638 457933134 /nfs/dbraw/zinc/93/31/34/457933134.db2.gz AGYUHELLDHKZLZ-BBRMVZONSA-N 1 0 349.431 3.443 20 5 EGBDRO CC[C@@H]1CCCC[C@@H]1[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000444673558 457935017 /nfs/dbraw/zinc/93/50/17/457935017.db2.gz JAPNFWXWKQPNNB-KYJSFNMBSA-N 1 0 336.432 3.235 20 5 EGBDRO CC[C@@H]1CCCC[C@H]1[N@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000444677387 457937563 /nfs/dbraw/zinc/93/75/63/457937563.db2.gz PLLIWJFDVCPHHE-RHSMWYFYSA-N 1 0 345.443 3.385 20 5 EGBDRO C[NH+](C)CCCC1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000444691234 457941587 /nfs/dbraw/zinc/94/15/87/457941587.db2.gz XXZGTJFTANMDKG-UHFFFAOYSA-N 1 0 345.447 3.025 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2ccc(CN3CC[C@H]4[NH2+]CC[C@H]4C3)o2)c1 ZINC000427132941 457946792 /nfs/dbraw/zinc/94/67/92/457946792.db2.gz IVBSJFBHQYDPNG-WMLDXEAASA-N 1 0 327.384 3.039 20 5 EGBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000458181920 457959099 /nfs/dbraw/zinc/95/90/99/457959099.db2.gz DQXLNMVFMBGFPH-IRXDYDNUSA-N 1 0 347.459 3.012 20 5 EGBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000458181914 457959127 /nfs/dbraw/zinc/95/91/27/457959127.db2.gz DQXLNMVFMBGFPH-DLBZAZTESA-N 1 0 347.459 3.012 20 5 EGBDRO CCOc1cc(C[N@@H+]2C[C@@H](O)C[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000411916088 458009387 /nfs/dbraw/zinc/00/93/87/458009387.db2.gz ANJLNPXPRRRLPN-WMZOPIPTSA-N 1 0 342.395 3.301 20 5 EGBDRO Cc1ccc([C@@H](C)NC(=O)NC(C)(C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000458517311 458078418 /nfs/dbraw/zinc/07/84/18/458078418.db2.gz SIOHRBYDLUVWDK-CQSZACIVSA-N 1 0 348.447 3.138 20 5 EGBDRO Cc1nc(C(C)C)oc1C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000428376155 458130344 /nfs/dbraw/zinc/13/03/44/458130344.db2.gz PYYGKMYVGOZODI-ZDUSSCGKSA-N 1 0 345.403 3.096 20 5 EGBDRO O=[N+]([O-])c1cccc(CN(Cc2ccccn2)[C@H]2CCC[NH2+]CC2)c1 ZINC000435396602 458137289 /nfs/dbraw/zinc/13/72/89/458137289.db2.gz ZLWTYNVHHZEHEN-SFHVURJKSA-N 1 0 340.427 3.134 20 5 EGBDRO C[C@@H]1C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@H](C)[C@@H](C)O1 ZINC000446077233 458141544 /nfs/dbraw/zinc/14/15/44/458141544.db2.gz DHNRLQWCWCXSNJ-MGPQQGTHSA-N 1 0 345.399 3.290 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CC[C@](O)(C3CC3)C2)o1 ZINC000376040855 458173971 /nfs/dbraw/zinc/17/39/71/458173971.db2.gz CFNYCIUPFQTXAC-GOSISDBHSA-N 1 0 328.368 3.202 20 5 EGBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3cc4ccc(F)cc4[nH]3)nc2c1 ZINC000446843794 458236126 /nfs/dbraw/zinc/23/61/26/458236126.db2.gz CAQBMEAJEQJLFY-UHFFFAOYSA-N 1 0 339.330 3.381 20 5 EGBDRO Cc1cn2c(n1)[C@@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1C)CCC2 ZINC000372251137 458248241 /nfs/dbraw/zinc/24/82/41/458248241.db2.gz XJQARDPMWAFQSF-CYBMUJFWSA-N 1 0 343.387 3.107 20 5 EGBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000429041747 458263961 /nfs/dbraw/zinc/26/39/61/458263961.db2.gz QDPXJYJCKYVGLG-DVOMOZLQSA-N 1 0 337.851 3.410 20 5 EGBDRO O=[N+]([O-])c1cccc(CC[NH2+]Cc2c[nH]nc2-c2ccsc2)c1 ZINC000436415203 458301635 /nfs/dbraw/zinc/30/16/35/458301635.db2.gz WNWSIDKNUBLYGH-UHFFFAOYSA-N 1 0 328.397 3.379 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H](CO)Cc1ccccc1)CCC2 ZINC000447542876 458308540 /nfs/dbraw/zinc/30/85/40/458308540.db2.gz QLMUOZWHLFXDBK-OXQOHEQNSA-N 1 0 340.423 3.413 20 5 EGBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429799800 458373394 /nfs/dbraw/zinc/37/33/94/458373394.db2.gz GPZWAYOIVPKNMZ-CABCVRRESA-N 1 0 347.459 3.109 20 5 EGBDRO CC(C)c1ccc(C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)cc1[N+](=O)[O-] ZINC000423431150 458431189 /nfs/dbraw/zinc/43/11/89/458431189.db2.gz AOEJDSVZVLCQAJ-QGZVFWFLSA-N 1 0 345.443 3.322 20 5 EGBDRO CCOC[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000459724023 458458395 /nfs/dbraw/zinc/45/83/95/458458395.db2.gz WDMXKUOMCCJGIG-MRXNPFEDSA-N 1 0 349.431 3.123 20 5 EGBDRO CO[C@@H]1C[C@H]([NH2+]Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C12CCC2 ZINC000459738290 458463894 /nfs/dbraw/zinc/46/38/94/458463894.db2.gz AFSXDESBKJIOJX-JKSUJKDBSA-N 1 0 343.383 3.297 20 5 EGBDRO C[C@@H](CC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)[C@H]1CCC[NH2+]C1 ZINC000423721955 458475367 /nfs/dbraw/zinc/47/53/67/458475367.db2.gz JAXISMSAITUBAD-GJZGRUSLSA-N 1 0 345.443 3.112 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H](CO)Cc1cccc(C)c1 ZINC000468611089 458528608 /nfs/dbraw/zinc/52/86/08/458528608.db2.gz UTDOTUFULDAXEI-LZOLKVDOSA-N 1 0 340.423 3.500 20 5 EGBDRO CCc1ccc(C(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)cc1[N+](=O)[O-] ZINC000424039468 458542283 /nfs/dbraw/zinc/54/22/83/458542283.db2.gz KAXHTMDVNMQLDO-QGZVFWFLSA-N 1 0 345.443 3.007 20 5 EGBDRO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[C@@H]1C ZINC000470147072 458616062 /nfs/dbraw/zinc/61/60/62/458616062.db2.gz CEEXRMXWVOSTFX-MLGOLLRUSA-N 1 0 344.367 3.238 20 5 EGBDRO CC(C)[NH+](CCCNc1ccc2cc([N+](=O)[O-])ccc2n1)C(C)C ZINC000470865369 458657587 /nfs/dbraw/zinc/65/75/87/458657587.db2.gz GNIFHGATMNNKJZ-UHFFFAOYSA-N 1 0 330.432 3.486 20 5 EGBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(c2ccnc3c2cccc3[N+](=O)[O-])C[C@@H](C)C1 ZINC000432146985 458689322 /nfs/dbraw/zinc/68/93/22/458689322.db2.gz DOGNTBOLOVPUFU-HBUWYVDXSA-N 1 0 340.427 3.310 20 5 EGBDRO C[NH+]1CCC(C)(CNc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1 ZINC000503253784 458699106 /nfs/dbraw/zinc/69/91/06/458699106.db2.gz GMSKNRKAJFNXRS-UHFFFAOYSA-N 1 0 340.427 3.223 20 5 EGBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@@H]2CCCCC23CCCC3)c1 ZINC000463446974 458699895 /nfs/dbraw/zinc/69/98/95/458699895.db2.gz VDTICMDSOAUKMV-FUHWJXTLSA-N 1 0 348.443 3.427 20 5 EGBDRO O=[N+]([O-])c1cccc2c(N3CC[C@@H]([NH+]4CCCCC4)C3)ccnc21 ZINC000432327052 458716818 /nfs/dbraw/zinc/71/68/18/458716818.db2.gz RGPDPGDYIOLKKY-CQSZACIVSA-N 1 0 326.400 3.208 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CCCC[N@H+]1CC(C)C ZINC000439699622 458741157 /nfs/dbraw/zinc/74/11/57/458741157.db2.gz DQXBHIYOCSAGRV-MRXNPFEDSA-N 1 0 333.432 3.144 20 5 EGBDRO O=[N+]([O-])c1cnn(CC[N@H+](CCc2ccc(Cl)cc2)CC2CC2)c1 ZINC000472247419 458777611 /nfs/dbraw/zinc/77/76/11/458777611.db2.gz DXLYJXLYSTXSCK-UHFFFAOYSA-N 1 0 348.834 3.399 20 5 EGBDRO CCOC(=O)C1(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC000473056070 458818640 /nfs/dbraw/zinc/81/86/40/458818640.db2.gz FJWVBHMTBNYTFX-HOCLYGCPSA-N 1 0 346.427 3.239 20 5 EGBDRO CCC[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000466486665 458901140 /nfs/dbraw/zinc/90/11/40/458901140.db2.gz PIWUAJARVGXRGM-KBPBESRZSA-N 1 0 349.431 3.443 20 5 EGBDRO COC[C@@H](Cc1ccccc1)[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000475751515 458965148 /nfs/dbraw/zinc/96/51/48/458965148.db2.gz XFXKNIRFRVYBIR-GOSISDBHSA-N 1 0 344.411 3.163 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCCC[C@H]1N1CCOCC1 ZINC000531995376 459013993 /nfs/dbraw/zinc/01/39/93/459013993.db2.gz UXBYDRXQJRKZGI-ZYSHUDEJSA-N 1 0 347.459 3.197 20 5 EGBDRO C[C@@H]1[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CCOC1(C)C ZINC000477694717 459054884 /nfs/dbraw/zinc/05/48/84/459054884.db2.gz QGFQXSZVJOKUPM-ZDUSSCGKSA-N 1 0 345.399 3.292 20 5 EGBDRO C[C@@H]1CC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@H]2CCCC[C@@H]12 ZINC000532918043 459160329 /nfs/dbraw/zinc/16/03/29/459160329.db2.gz VLPLMOOLWRCACS-JLSDUUJJSA-N 1 0 345.443 3.458 20 5 EGBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000480206989 459188398 /nfs/dbraw/zinc/18/83/98/459188398.db2.gz QPFLKEIZTAYJCJ-GOEBONIOSA-N 1 0 339.395 3.411 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1c(C2CC2)cnn1C ZINC000594985418 459204454 /nfs/dbraw/zinc/20/44/54/459204454.db2.gz MEIVRPNXPQMMRF-MDWZMJQESA-N 1 0 326.400 3.399 20 5 EGBDRO CC(C)[C@@H](CO)[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)C(C)C ZINC000590758040 459206717 /nfs/dbraw/zinc/20/67/17/459206717.db2.gz WNCJRTVUQBZAMU-CXAGYDPISA-N 1 0 335.404 3.115 20 5 EGBDRO C[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]2CCCC[C@@H]12 ZINC000533239860 459207352 /nfs/dbraw/zinc/20/73/52/459207352.db2.gz XBIFMRQCUQJGFP-YCPHGPKFSA-N 1 0 331.416 3.434 20 5 EGBDRO O=C(c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)N1CCC(C2CC2)CC1 ZINC000590765071 459208483 /nfs/dbraw/zinc/20/84/83/459208483.db2.gz OMIUKZFKMLJNDO-UHFFFAOYSA-N 1 0 340.383 3.043 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H](C)COCC(F)(F)F ZINC000595018038 459216736 /nfs/dbraw/zinc/21/67/36/459216736.db2.gz ZXNAXPLXUOVAQB-VHSXEESVSA-N 1 0 336.310 3.221 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000595025968 459221169 /nfs/dbraw/zinc/22/11/69/459221169.db2.gz LQYZGAFHAYEDKN-WQFMGJDKSA-N 1 0 332.400 3.212 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H](O)CCc1ccccc1 ZINC000595034520 459223209 /nfs/dbraw/zinc/22/32/09/459223209.db2.gz WSJDYHPWSNFKLP-RHSMWYFYSA-N 1 0 344.411 3.248 20 5 EGBDRO CCC[C@H]([NH2+]C1CCN([C@H]2CCOC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000595102118 459245699 /nfs/dbraw/zinc/24/56/99/459245699.db2.gz JVZHKFOFEVNUDR-OALUTQOASA-N 1 0 347.459 3.279 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CC(=O)N(C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000595105133 459247008 /nfs/dbraw/zinc/24/70/08/459247008.db2.gz QMOAQIRKKZUIFJ-UONOGXRCSA-N 1 0 333.432 3.201 20 5 EGBDRO [NH3+]C1(CNC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CCCC1 ZINC000595231467 459259798 /nfs/dbraw/zinc/25/97/98/459259798.db2.gz WMPLKGOSPZYMOI-UHFFFAOYSA-N 1 0 346.309 3.007 20 5 EGBDRO CC[C@@H](CC(F)F)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000595371550 459285862 /nfs/dbraw/zinc/28/58/62/459285862.db2.gz OFROQTLSFWETMG-NWDGAFQWSA-N 1 0 328.363 3.157 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCC[C@@H]4COC[C@@H]43)o2)cc1 ZINC000590972181 459286059 /nfs/dbraw/zinc/28/60/59/459286059.db2.gz RUFVZGVVCPAZCA-PBHICJAKSA-N 1 0 328.368 3.466 20 5 EGBDRO O=[N+]([O-])c1cc(F)ccc1CN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000595386657 459288093 /nfs/dbraw/zinc/28/80/93/459288093.db2.gz KCQVFWHXQZEVEJ-CXAGYDPISA-N 1 0 333.407 3.183 20 5 EGBDRO Cc1ccc(C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C2CC2)o1 ZINC000591011286 459293310 /nfs/dbraw/zinc/29/33/10/459293310.db2.gz YCUWKOHAXHVURP-UHFFFAOYSA-N 1 0 343.383 3.489 20 5 EGBDRO CC(=O)c1nc(CC[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)[nH]c1C ZINC000595419805 459295956 /nfs/dbraw/zinc/29/59/56/459295956.db2.gz LSDZAXFDYZZBED-NSHDSACASA-N 1 0 330.388 3.031 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@H](OCC(F)(F)F)C2)cc1 ZINC000523441394 459304294 /nfs/dbraw/zinc/30/42/94/459304294.db2.gz PUVUYHUQPZZTLX-AWEZNQCLSA-N 1 0 332.322 3.181 20 5 EGBDRO CC(C)(C)[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000483234175 459352521 /nfs/dbraw/zinc/35/25/21/459352521.db2.gz JJVIMXRRKOUNND-HUUCEWRRSA-N 1 0 336.432 3.093 20 5 EGBDRO CC(C)(C)[C@@H]1CCC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000483234172 459352691 /nfs/dbraw/zinc/35/26/91/459352691.db2.gz JJVIMXRRKOUNND-CABCVRRESA-N 1 0 336.432 3.093 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](CC1CC1)CC1CCC1 ZINC000483283901 459357089 /nfs/dbraw/zinc/35/70/89/459357089.db2.gz JKZPHHKVABDDKJ-UHFFFAOYSA-N 1 0 331.416 3.354 20 5 EGBDRO C[N@H+](CCOc1ccccc1C(C)(C)C)CCn1cc([N+](=O)[O-])cn1 ZINC000483319428 459358579 /nfs/dbraw/zinc/35/85/79/459358579.db2.gz FFNBVLYACMIEAN-UHFFFAOYSA-N 1 0 346.431 3.100 20 5 EGBDRO C[C@@H]1CCC[C@]1(O)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000561057529 459415990 /nfs/dbraw/zinc/41/59/90/459415990.db2.gz JVUVFFGGXSRXFZ-ACJLOTCBSA-N 1 0 330.384 3.496 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(OC(=O)N(C)C)CC1 ZINC000497083534 459432056 /nfs/dbraw/zinc/43/20/56/459432056.db2.gz ZTBAMCHLEDBRMI-ZDUSSCGKSA-N 1 0 335.404 3.127 20 5 EGBDRO COc1ccc(C[NH+]2CCC([C@@H]3CCCCO3)CC2)cc1[N+](=O)[O-] ZINC000595785607 459439570 /nfs/dbraw/zinc/43/95/70/459439570.db2.gz FRHXQQOOZRMRMO-KRWDZBQOSA-N 1 0 334.416 3.385 20 5 EGBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)c1 ZINC000595787692 459441168 /nfs/dbraw/zinc/44/11/68/459441168.db2.gz GIWOLXGFTVMZRS-YJBOKZPZSA-N 1 0 334.416 3.255 20 5 EGBDRO CC[C@H](c1ccccc1)[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)C ZINC000595848621 459463590 /nfs/dbraw/zinc/46/35/90/459463590.db2.gz BHAQJGIFLXMGBL-ZWKOTPCHSA-N 1 0 346.431 3.014 20 5 EGBDRO CCC[C@@H](C)[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000486789045 459520102 /nfs/dbraw/zinc/52/01/02/459520102.db2.gz QGMDQEFPFPDCSN-CJNGLKHVSA-N 1 0 349.431 3.443 20 5 EGBDRO C[C@H]([NH2+]C(C)(C)CNc1cc[nH]c(=O)c1[N+](=O)[O-])c1ccccc1 ZINC000596112242 459525644 /nfs/dbraw/zinc/52/56/44/459525644.db2.gz KXGRRZOMQNSTLU-LBPRGKRZSA-N 1 0 330.388 3.237 20 5 EGBDRO CCCN(C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)[C@H]1CC[N@H+](C)C1 ZINC000592234183 459557154 /nfs/dbraw/zinc/55/71/54/459557154.db2.gz GLYXJQZDUPOZSF-AWEZNQCLSA-N 1 0 334.420 3.160 20 5 EGBDRO C[N@H+]1Cc2ccccc2[C@@H](Nc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000542506276 459563696 /nfs/dbraw/zinc/56/36/96/459563696.db2.gz QHSUNUNKRWGAOO-HNNXBMFYSA-N 1 0 335.367 3.137 20 5 EGBDRO [NH3+][C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1)C1CC1 ZINC000592317739 459574197 /nfs/dbraw/zinc/57/41/97/459574197.db2.gz QOKWQVLGCPCAKK-HNNXBMFYSA-N 1 0 349.456 3.097 20 5 EGBDRO COC(=O)c1cccc(OC[C@H]2CCCC[N@@H+]2C(C)C)c1[N+](=O)[O-] ZINC000596299821 459588928 /nfs/dbraw/zinc/58/89/28/459588928.db2.gz QDLGPTIJHNTMOH-CYBMUJFWSA-N 1 0 336.388 3.023 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(CN3CC[C@H]4CC[NH2+][C@H]4C3)o2)cc1 ZINC000592432366 459599866 /nfs/dbraw/zinc/59/98/66/459599866.db2.gz FXFRHMIEZWFZMW-DYVFJYSZSA-N 1 0 327.384 3.039 20 5 EGBDRO Cc1ccc([C@H](CNC(=O)c2cc(C)cc([N+](=O)[O-])c2)[NH+](C)C)cc1 ZINC000499134147 459622977 /nfs/dbraw/zinc/62/29/77/459622977.db2.gz LBPPANYTCMJUTC-SFHVURJKSA-N 1 0 341.411 3.244 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCO[C@H](c2nccn2C)C1 ZINC000562784339 459646866 /nfs/dbraw/zinc/64/68/66/459646866.db2.gz XACQPESYSQUUKJ-VBQJREDUSA-N 1 0 344.415 3.208 20 5 EGBDRO Nc1c(F)c(NC[C@@H]2CC[N@@H+]2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000596558892 459676295 /nfs/dbraw/zinc/67/62/95/459676295.db2.gz UJIJGKGLDVKOPO-ZDUSSCGKSA-N 1 0 330.363 3.003 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1NC[C@H]1CCC[N@H+](CC3CC3)C1)CCN2 ZINC000596570009 459680162 /nfs/dbraw/zinc/68/01/62/459680162.db2.gz GLTZXIBCPNBQIN-CQSZACIVSA-N 1 0 330.432 3.097 20 5 EGBDRO O=[N+]([O-])c1cc(F)c(NC[C@H]2CCC[N@H+](CC3CC3)C2)c(F)c1 ZINC000596569646 459680449 /nfs/dbraw/zinc/68/04/49/459680449.db2.gz ASFLRDPDOFAOEK-GFCCVEGCSA-N 1 0 325.359 3.407 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000596638010 459708551 /nfs/dbraw/zinc/70/85/51/459708551.db2.gz RFAXMVNQAWBXKZ-CYBMUJFWSA-N 1 0 334.420 3.145 20 5 EGBDRO CC(C)C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000544061763 459722873 /nfs/dbraw/zinc/72/28/73/459722873.db2.gz LCHZPORGQMDKHQ-INIZCTEOSA-N 1 0 336.432 3.235 20 5 EGBDRO CCC[C@@H]1[C@H](C)CCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000544070715 459724534 /nfs/dbraw/zinc/72/45/34/459724534.db2.gz KJLJAKKIBYLVND-OWCLPIDISA-N 1 0 336.432 3.235 20 5 EGBDRO C[N@@H+]1CCC[C@@H]2CN(c3nccc4c3cccc4[N+](=O)[O-])CC[C@H]21 ZINC000584391510 459725502 /nfs/dbraw/zinc/72/55/02/459725502.db2.gz PFVCVWVYNSCUFE-CZUORRHYSA-N 1 0 326.400 3.064 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](O)CCc2ccccc2)c(Cl)c1 ZINC000544347337 459750558 /nfs/dbraw/zinc/75/05/58/459750558.db2.gz CHWZCZVFMNHLGW-MRXNPFEDSA-N 1 0 334.803 3.332 20 5 EGBDRO CC[C@H]1CN(c2ncc(C)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000544700802 459778309 /nfs/dbraw/zinc/77/83/09/459778309.db2.gz BWKGYVYNMSQIHV-KRWDZBQOSA-N 1 0 340.427 3.399 20 5 EGBDRO C[NH+](C)C1(CNc2ccc([N+](=O)[O-])cc2OC(F)F)CCCC1 ZINC000544814423 459785675 /nfs/dbraw/zinc/78/56/75/459785675.db2.gz WRTHUMPJCGTJPE-UHFFFAOYSA-N 1 0 329.347 3.483 20 5 EGBDRO COc1ccc(C[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])c(OC)n1 ZINC000584810909 459805919 /nfs/dbraw/zinc/80/59/19/459805919.db2.gz VKDPZWNSGZBOHK-ZDUSSCGKSA-N 1 0 345.399 3.118 20 5 EGBDRO CC1CCC(O)(C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000566128618 459811463 /nfs/dbraw/zinc/81/14/63/459811463.db2.gz FROOPAJBSKJNFI-UHFFFAOYSA-N 1 0 331.416 3.149 20 5 EGBDRO CCOc1ccc(NC(=O)CN2CC[C@H](C)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000545416861 459830636 /nfs/dbraw/zinc/83/06/36/459830636.db2.gz KIAHNCRTXKTTRX-ZDUSSCGKSA-N 1 0 349.431 3.300 20 5 EGBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc2[nH]c(=O)oc2c1 ZINC000586789879 459873783 /nfs/dbraw/zinc/87/37/83/459873783.db2.gz KBBGQMFRAWQALB-LLVKDONJSA-N 1 0 327.340 3.335 20 5 EGBDRO C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C1(CO)CC1 ZINC000597256404 459897546 /nfs/dbraw/zinc/89/75/46/459897546.db2.gz VYGALNPJIDBXNH-UHFFFAOYSA-N 1 0 336.775 3.465 20 5 EGBDRO CC(C)[NH+]1CCC(C(=O)N2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000602358311 459904127 /nfs/dbraw/zinc/90/41/27/459904127.db2.gz URHSXOWJIYWCPN-UHFFFAOYSA-N 1 0 345.443 3.385 20 5 EGBDRO C[NH+]1CCC(Oc2ccc(CNc3cccnc3[N+](=O)[O-])cc2)CC1 ZINC000588050444 459906002 /nfs/dbraw/zinc/90/60/02/459906002.db2.gz GSDBXXPLDIRREV-UHFFFAOYSA-N 1 0 342.399 3.075 20 5 EGBDRO CCO[C@@H]1C[C@H]1[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000618198594 459930498 /nfs/dbraw/zinc/93/04/98/459930498.db2.gz JYTDMVGADFISBB-RHSMWYFYSA-N 1 0 332.356 3.130 20 5 EGBDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cccc4c3CCC4)CC2)n1 ZINC000593621826 459935678 /nfs/dbraw/zinc/93/56/78/459935678.db2.gz TUVDCTMZXMEOFF-UHFFFAOYSA-N 1 0 326.400 3.117 20 5 EGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000602480133 459959410 /nfs/dbraw/zinc/95/94/10/459959410.db2.gz UDTVMOSUZLTHRL-WCQYABFASA-N 1 0 344.333 3.472 20 5 EGBDRO CCOC[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602486876 459963951 /nfs/dbraw/zinc/96/39/51/459963951.db2.gz WQFPXKPXVNYSNK-NSHDSACASA-N 1 0 332.322 3.472 20 5 EGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1CNC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000602511311 459976951 /nfs/dbraw/zinc/97/69/51/459976951.db2.gz PTBDNSWQIOLAJA-NSHDSACASA-N 1 0 343.349 3.188 20 5 EGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000602516984 459979003 /nfs/dbraw/zinc/97/90/03/459979003.db2.gz UWAWRLKQUFTICN-ZIAGYGMSSA-N 1 0 343.349 3.330 20 5 EGBDRO CC[N@@H+]1CC[C@H](CNCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602519555 459979609 /nfs/dbraw/zinc/97/96/09/459979609.db2.gz HOECMBJWXUZBQG-LLVKDONJSA-N 1 0 331.338 3.045 20 5 EGBDRO C[C@H]1CCC[N@@H+](C(C)(C)CNCc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602526575 459982494 /nfs/dbraw/zinc/98/24/94/459982494.db2.gz LGXVIZUHTXZPEC-ZDUSSCGKSA-N 1 0 346.431 3.336 20 5 EGBDRO CC[N@@H+]1CCC[C@@H](CNCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602525118 459983790 /nfs/dbraw/zinc/98/37/90/459983790.db2.gz QYEMQZVGHQZWPW-LBPRGKRZSA-N 1 0 345.365 3.435 20 5 EGBDRO Cc1csc([C@H](C)[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)n1 ZINC000602529567 459984918 /nfs/dbraw/zinc/98/49/18/459984918.db2.gz GGPCIMITKUNSRU-LBPRGKRZSA-N 1 0 347.444 3.074 20 5 EGBDRO C[C@@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1CO ZINC000598676198 459987736 /nfs/dbraw/zinc/98/77/36/459987736.db2.gz DMELPCOWUIJCQI-HIFRSBDPSA-N 1 0 330.384 3.305 20 5 EGBDRO O=[N+]([O-])c1ccc2oc(C[NH2+][C@H]3CCOC4(CCCC4)C3)nc2c1 ZINC000602567110 460001592 /nfs/dbraw/zinc/00/15/92/460001592.db2.gz HURZCUHIKVHUHF-LBPRGKRZSA-N 1 0 331.372 3.317 20 5 EGBDRO CC(C)C[N@@H+]1CCC[C@@H](CNCc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602575901 460004141 /nfs/dbraw/zinc/00/41/41/460004141.db2.gz YIYMGZKEWDIEBX-AWEZNQCLSA-N 1 0 346.431 3.194 20 5 EGBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[N@H+](C)C[C@@H]1CC ZINC000597604237 460006146 /nfs/dbraw/zinc/00/61/46/460006146.db2.gz ICOMMQXFCKUNFA-IRXDYDNUSA-N 1 0 347.459 3.106 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C3CCC(F)(F)CC3)CC2)cn1 ZINC000602579287 460006311 /nfs/dbraw/zinc/00/63/11/460006311.db2.gz JAXTZTZAYDAURM-UHFFFAOYSA-N 1 0 340.374 3.126 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@H](CO)c2ccc(Cl)cc2)cc1 ZINC000602663040 460051869 /nfs/dbraw/zinc/05/18/69/460051869.db2.gz RZEQWDZERDHXSI-OAHLLOKOSA-N 1 0 334.803 3.156 20 5 EGBDRO C[C@H]1C[C@@H]([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CS1 ZINC000602691281 460068370 /nfs/dbraw/zinc/06/83/70/460068370.db2.gz QLOBRWHCVSUEFT-NKWVEPMBSA-N 1 0 337.264 3.402 20 5 EGBDRO CCC[C@H](C)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000589309550 460070341 /nfs/dbraw/zinc/07/03/41/460070341.db2.gz QZDAIBMVGKKVNP-VIFPVBQESA-N 1 0 348.184 3.478 20 5 EGBDRO CC(C)(C)C[C@@H]1C[C@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602696366 460070423 /nfs/dbraw/zinc/07/04/23/460070423.db2.gz AKBKUGUTRHGLLV-XJKSGUPXSA-N 1 0 332.448 3.373 20 5 EGBDRO CCC(C)(C)[NH+]1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000594059363 460079918 /nfs/dbraw/zinc/07/99/18/460079918.db2.gz QHHZHAMFUACEDT-UHFFFAOYSA-N 1 0 334.420 3.241 20 5 EGBDRO Cc1c(NC(=O)N2CCCC[C@@H]2[C@@H](C)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000602764490 460111630 /nfs/dbraw/zinc/11/16/30/460111630.db2.gz XLERILSXKDCEAY-XJKSGUPXSA-N 1 0 348.447 3.487 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(=Cc2cccc(F)c2)CC1 ZINC000602794941 460128807 /nfs/dbraw/zinc/12/88/07/460128807.db2.gz FOGJAMRNZUJVIA-UHFFFAOYSA-N 1 0 344.390 3.418 20 5 EGBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCOC3(CCCCC3)C2)cc1 ZINC000610370155 460138316 /nfs/dbraw/zinc/13/83/16/460138316.db2.gz UYVJBKVMULWNHT-UHFFFAOYSA-N 1 0 334.416 3.399 20 5 EGBDRO COc1ccc2c(c1)C[C@H](C)[N@@H+](CCn1c(C)ncc1[N+](=O)[O-])[C@@H]2C ZINC000602807960 460139311 /nfs/dbraw/zinc/13/93/11/460139311.db2.gz XIZPHOUZDHDSGQ-QWHCGFSZSA-N 1 0 344.415 3.116 20 5 EGBDRO CC[N@@H+]1CC[C@@H](N(C)Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@H]1C ZINC000610582666 460188534 /nfs/dbraw/zinc/18/85/34/460188534.db2.gz IZCCXGBPURSYLP-QWHCGFSZSA-N 1 0 332.404 3.041 20 5 EGBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000610718198 460223711 /nfs/dbraw/zinc/22/37/11/460223711.db2.gz PARPTOYGLLZSLU-AWEZNQCLSA-N 1 0 334.420 3.208 20 5 EGBDRO O=[N+]([O-])c1cc2c(cc1CN1CCC[C@H]1c1ccc[nH]1)OCCO2 ZINC000610938730 460263077 /nfs/dbraw/zinc/26/30/77/460263077.db2.gz POFFIEGEKKQLRJ-AWEZNQCLSA-N 1 0 329.356 3.031 20 5 EGBDRO COc1ccc(C[NH+](C)C)cc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000603589973 460325062 /nfs/dbraw/zinc/32/50/62/460325062.db2.gz XEBPHVWIHLROFZ-UHFFFAOYSA-N 1 0 343.383 3.226 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CC1(CO)CCCCC1)C1CC1 ZINC000611336553 460339379 /nfs/dbraw/zinc/33/93/79/460339379.db2.gz QQJBNBJSTIHUJT-QGZVFWFLSA-N 1 0 332.444 3.448 20 5 EGBDRO C[C@@H](CNc1ccc([N+](=O)[O-])cc1)[NH+]1CCN(c2ccccc2)CC1 ZINC000603853716 460348620 /nfs/dbraw/zinc/34/86/20/460348620.db2.gz KIIFUVYQHREIAB-INIZCTEOSA-N 1 0 340.427 3.217 20 5 EGBDRO C[C@H](CNc1ccccc1[N+](=O)[O-])[NH+]1CCN(c2ccccc2)CC1 ZINC000603854053 460348781 /nfs/dbraw/zinc/34/87/81/460348781.db2.gz MVANHICXZWDTSE-MRXNPFEDSA-N 1 0 340.427 3.217 20 5 EGBDRO CC[C@H]([NH2+]CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C1CCCCC1 ZINC000611433523 460364306 /nfs/dbraw/zinc/36/43/06/460364306.db2.gz DUBQKKAYHBWIIO-HNNXBMFYSA-N 1 0 349.431 3.490 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCc1ccc(CO)cc1)C1CC1 ZINC000611439373 460365121 /nfs/dbraw/zinc/36/51/21/460365121.db2.gz BPQHOAVQCDBNKK-IBGZPJMESA-N 1 0 340.423 3.241 20 5 EGBDRO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)CCOc1ccccc1 ZINC000604012448 460368711 /nfs/dbraw/zinc/36/87/11/460368711.db2.gz NQISFFTTXZRMEX-UHFFFAOYSA-N 1 0 330.384 3.375 20 5 EGBDRO C[N@@H+]1CC[C@H]2CCN(c3ccc([N+](=O)[O-])c(OC(C)(C)C)c3)[C@H]2C1 ZINC000611510174 460383088 /nfs/dbraw/zinc/38/30/88/460383088.db2.gz CDNMZPIWBUKPTQ-BBRMVZONSA-N 1 0 333.432 3.303 20 5 EGBDRO O=C(NCC[NH+]1CCC2(CCCCC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000619675184 460410795 /nfs/dbraw/zinc/41/07/95/460410795.db2.gz JGYXPHCAXHZGCO-UHFFFAOYSA-N 1 0 345.443 3.371 20 5 EGBDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3ccc4cc[nH]c4c3)CC2)n1 ZINC000600157087 460412894 /nfs/dbraw/zinc/41/28/94/460412894.db2.gz ZGIGKJYSSQOKKC-UHFFFAOYSA-N 1 0 325.372 3.110 20 5 EGBDRO C[C@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccsc1 ZINC000619746429 460429984 /nfs/dbraw/zinc/42/99/84/460429984.db2.gz UPKWWIIGHYUSKQ-XHDPSFHLSA-N 1 0 331.397 3.112 20 5 EGBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)Nc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611708257 460434963 /nfs/dbraw/zinc/43/49/63/460434963.db2.gz LSDHCODUXWNTLN-QWHCGFSZSA-N 1 0 329.404 3.070 20 5 EGBDRO CN(CC[N@H+](C)C1CCCCC1)c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611708230 460435324 /nfs/dbraw/zinc/43/53/24/460435324.db2.gz LLDDUGBRPXVUNU-UHFFFAOYSA-N 1 0 343.431 3.239 20 5 EGBDRO O=[N+]([O-])c1ncccc1NCC1CC[NH+](Cc2cccs2)CC1 ZINC000604508563 460438643 /nfs/dbraw/zinc/43/86/43/460438643.db2.gz NECNKGDWIQPMPT-UHFFFAOYSA-N 1 0 332.429 3.375 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000616119001 460477297 /nfs/dbraw/zinc/47/72/97/460477297.db2.gz HZVPRGCERUQRFM-ZDUSSCGKSA-N 1 0 334.420 3.063 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000616121169 460478607 /nfs/dbraw/zinc/47/86/07/460478607.db2.gz SNAZFELQUUTTIC-CQSZACIVSA-N 1 0 334.420 3.206 20 5 EGBDRO Cc1ccncc1[C@@H](C)[NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000611938957 460492150 /nfs/dbraw/zinc/49/21/50/460492150.db2.gz LYSBQGLNCYBIIP-ZIAGYGMSSA-N 1 0 342.399 3.284 20 5 EGBDRO C[C@@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@H](O)C(F)(F)F ZINC000601151154 460733977 /nfs/dbraw/zinc/73/39/77/460733977.db2.gz QKLTULZEVUMSDG-OTYXRUKQSA-N 1 0 344.289 3.256 20 5 EGBDRO C[C@H]([NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])[C@H](O)C(F)(F)F ZINC000601301029 460780896 /nfs/dbraw/zinc/78/08/96/460780896.db2.gz PEAHZPQCDXLJRG-MEDZGJRSSA-N 1 0 346.349 3.207 20 5 EGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]Cc2cccc(F)c2F)n1 ZINC000601302096 460781049 /nfs/dbraw/zinc/78/10/49/460781049.db2.gz GCWICUDBXMWARZ-UONOGXRCSA-N 1 0 336.342 3.343 20 5 EGBDRO O=[N+]([O-])c1ccsc1NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000617474966 460871716 /nfs/dbraw/zinc/87/17/16/460871716.db2.gz DYDJLLCUMVGZQP-HNNXBMFYSA-N 1 0 347.440 3.359 20 5 EGBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)[C@@H](CC)Cc1ccc([N+](=O)[O-])cc1 ZINC000613234228 460877231 /nfs/dbraw/zinc/87/72/31/460877231.db2.gz YBDDFUDIVIGENR-DLBZAZTESA-N 1 0 347.459 3.154 20 5 EGBDRO C[C@@H]([NH2+]CCn1ccc(C(F)(F)F)n1)c1ccc([N+](=O)[O-])cc1 ZINC000601941856 460954733 /nfs/dbraw/zinc/95/47/33/460954733.db2.gz QJWGJAPMSDDNKY-SNVBAGLBSA-N 1 0 328.294 3.161 20 5 EGBDRO CC(C)[C@@H](CNc1ncnc2ccc([N+](=O)[O-])cc21)[NH+]1CCCC1 ZINC000611704187 469305500 /nfs/dbraw/zinc/30/55/00/469305500.db2.gz ZUBLWWZPKQFYJL-MRXNPFEDSA-N 1 0 329.404 3.070 20 5 EGBDRO C[C@H](NC(=O)c1cc(F)ccc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181677430 533748771 /nfs/dbraw/zinc/74/87/71/533748771.db2.gz GQDUUKGTKYHCHG-STQMWFEESA-N 1 0 349.406 3.117 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]CCOCC(F)F ZINC000188748883 534887924 /nfs/dbraw/zinc/88/79/24/534887924.db2.gz HTSKEWMDXVAFEG-OCCSQVGLSA-N 1 0 328.359 3.177 20 5 EGBDRO CC(C)OCCCC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000181610429 527928566 /nfs/dbraw/zinc/92/85/66/527928566.db2.gz WQKLFKZDHHTBPJ-UHFFFAOYSA-N 1 0 346.431 3.290 20 5 EGBDRO CCN(CCC[NH+]1CCCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000189784983 528448429 /nfs/dbraw/zinc/44/84/29/528448429.db2.gz GGSCVZASJRSZEN-UHFFFAOYSA-N 1 0 334.420 3.243 20 5 EGBDRO CC1(C)CCC[C@@H]1[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000191853202 528969157 /nfs/dbraw/zinc/96/91/57/528969157.db2.gz BHEKGRDVDMGAEJ-ZDUSSCGKSA-N 1 0 325.796 3.355 20 5 EGBDRO CC[C@@H]([NH2+]CCCNC(=O)c1occc1C)c1cccc([N+](=O)[O-])c1 ZINC000181076202 529161693 /nfs/dbraw/zinc/16/16/93/529161693.db2.gz QNOAMDACINSDBN-MRXNPFEDSA-N 1 0 345.399 3.357 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000119884926 546709306 /nfs/dbraw/zinc/70/93/06/546709306.db2.gz XMUCNBDJPJSIJN-HNNXBMFYSA-N 1 0 348.447 3.311 20 5 EGBDRO Cc1cc(C)cc([C@H](C)[NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])c1 ZINC000182877509 547085958 /nfs/dbraw/zinc/08/59/58/547085958.db2.gz BBEGJASWJZKHJM-ZDUSSCGKSA-N 1 0 327.384 3.161 20 5 EGBDRO C[C@]1([NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCCc2ccccc21 ZINC000341713265 547588980 /nfs/dbraw/zinc/58/89/80/547588980.db2.gz ZSIIRNHBOYAICC-IBGZPJMESA-N 1 0 339.395 3.035 20 5 EGBDRO CCC[NH+](CCC)CCCNC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000727978297 574708425 /nfs/dbraw/zinc/70/84/25/574708425.db2.gz QFMBVOOOVPZUSO-UHFFFAOYSA-N 1 0 338.477 3.393 20 5 EGBDRO CC[C@@H](C(=O)OCc1ccc(Cl)cc1[N+](=O)[O-])[NH+](CC)CC ZINC000741032470 576650376 /nfs/dbraw/zinc/65/03/76/576650376.db2.gz KMRZNRNSTYIBGK-ZDUSSCGKSA-N 1 0 328.796 3.412 20 5 EGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]C[C@@H](O)c1ccsc1 ZINC000877049541 1299133719 /nfs/dbraw/zinc/13/37/19/1299133719.db2.gz SWLPIYRKXYJVGO-CYBMUJFWSA-N 1 0 346.330 3.498 20 5 EGBDRO Cc1ccc(OCC[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000069161187 1292234821 /nfs/dbraw/zinc/23/48/21/1292234821.db2.gz CKHYDGFLSKIMJT-UHFFFAOYSA-N 1 0 341.411 3.104 20 5 EGBDRO CC(C)c1noc(CC[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000089577270 1292772422 /nfs/dbraw/zinc/77/24/22/1292772422.db2.gz UTVIHIPZRXRNPQ-OAHLLOKOSA-N 1 0 344.415 3.255 20 5 EGBDRO O=C1O[C@@H](C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CC12CCC2 ZINC000831538786 1292881386 /nfs/dbraw/zinc/88/13/86/1292881386.db2.gz ISECBOAQAXWCAO-DOTOQJQBSA-N 1 0 344.411 3.260 20 5 EGBDRO [NH3+][C@H](CC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)C1CC1 ZINC000831952684 1292939795 /nfs/dbraw/zinc/93/97/95/1292939795.db2.gz MBYMCRNOFZKHKH-QGZVFWFLSA-N 1 0 341.367 3.453 20 5 EGBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000832188384 1292968939 /nfs/dbraw/zinc/96/89/39/1292968939.db2.gz ZQLXDEXLXHTKCO-LLVKDONJSA-N 1 0 327.812 3.098 20 5 EGBDRO C[N@H+](CCNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)Cc1ccccc1 ZINC000112085352 1293117605 /nfs/dbraw/zinc/11/76/05/1293117605.db2.gz ZIYSMFDOUJDVEJ-UHFFFAOYSA-N 1 0 347.802 3.110 20 5 EGBDRO CCC(C)(C)OCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000834913128 1293175085 /nfs/dbraw/zinc/17/50/85/1293175085.db2.gz GNACIYZBUVXUTJ-UHFFFAOYSA-N 1 0 335.448 3.358 20 5 EGBDRO C[NH+](C)Cc1cccc(C(=O)OCCc2ccc([N+](=O)[O-])cc2)c1 ZINC000835320292 1293262727 /nfs/dbraw/zinc/26/27/27/1293262727.db2.gz ZZVIZYYWLGBYFN-UHFFFAOYSA-N 1 0 328.368 3.056 20 5 EGBDRO COc1ccc(CN(C)Cn2nc(C)c3ccc([N+](=O)[O-])cc32)cc1 ZINC000121057601 1293352497 /nfs/dbraw/zinc/35/24/97/1293352497.db2.gz UYSIDGOSNXODJC-UHFFFAOYSA-N 1 0 340.383 3.351 20 5 EGBDRO Cc1cc(F)cc(C(=O)NCCC[N@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000121372061 1293368303 /nfs/dbraw/zinc/36/83/03/1293368303.db2.gz VBAFNMWZNIZWRQ-ZDUSSCGKSA-N 1 0 337.395 3.037 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C(=O)NCCC[NH+]2CCCCC2)cc1Cl ZINC000836243024 1293466526 /nfs/dbraw/zinc/46/65/26/1293466526.db2.gz RUILOLGULZQXAX-UHFFFAOYSA-N 1 0 339.823 3.162 20 5 EGBDRO CC(C)C1CC[NH+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000172956089 1294452033 /nfs/dbraw/zinc/45/20/33/1294452033.db2.gz QYZKDLHKRMYLRT-UHFFFAOYSA-N 1 0 329.404 3.179 20 5 EGBDRO C[C@H]([NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cccc(O)c1 ZINC000181505519 1294975586 /nfs/dbraw/zinc/97/55/86/1294975586.db2.gz PKVNXEBERJIFHN-JTQLQIEISA-N 1 0 349.774 3.243 20 5 EGBDRO CC(C)[NH+]1CCC(CCNC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000870954756 1296152135 /nfs/dbraw/zinc/15/21/35/1296152135.db2.gz JBUWXOFTFHHJOC-HNNXBMFYSA-N 1 0 347.459 3.325 20 5 EGBDRO O=[N+]([O-])c1ccc(F)cc1CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246545971 1296360358 /nfs/dbraw/zinc/36/03/58/1296360358.db2.gz KEBHSPLEAFBSSB-GUYCJALGSA-N 1 0 333.407 3.183 20 5 EGBDRO Cc1nn(C[N@H+]2C[C@H](c3ccc(F)cc3)C[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000246908304 1296375636 /nfs/dbraw/zinc/37/56/36/1296375636.db2.gz MTPMRZIXSRNRHR-IAQYHMDHSA-N 1 0 332.379 3.383 20 5 EGBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@H]1CCCC[C@]1(C)[NH3+] ZINC000263097235 1296660871 /nfs/dbraw/zinc/66/08/71/1296660871.db2.gz ZAFHAYONERXKMB-CJNGLKHVSA-N 1 0 339.823 3.114 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)CC[S@](C)=O ZINC000872047941 1296699655 /nfs/dbraw/zinc/69/96/55/1296699655.db2.gz DXBGJOIWVHFBAQ-HJTOQOCKSA-N 1 0 330.475 3.124 20 5 EGBDRO Cc1c(C[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000301963269 1296795992 /nfs/dbraw/zinc/79/59/92/1296795992.db2.gz QSCPUYCDWAQMNR-OAHLLOKOSA-N 1 0 349.431 3.392 20 5 EGBDRO Cc1c(C[NH2+]Cc2ccc(NC(=O)N(C)C)cc2)cccc1[N+](=O)[O-] ZINC000873117677 1297279132 /nfs/dbraw/zinc/27/91/32/1297279132.db2.gz LVTSGNZKSRKFOA-UHFFFAOYSA-N 1 0 342.399 3.287 20 5 EGBDRO CC(C)(C)OC(=O)N1CCC[C@H]1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000380746919 1297545218 /nfs/dbraw/zinc/54/52/18/1297545218.db2.gz LLLBLAIRMJSVQL-INIZCTEOSA-N 1 0 349.431 3.126 20 5 EGBDRO CC[NH+](CC)CC1CCN(C(=O)c2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000874248506 1297832493 /nfs/dbraw/zinc/83/24/93/1297832493.db2.gz XSAGWDKAMRHWDW-UHFFFAOYSA-N 1 0 347.459 3.406 20 5 EGBDRO C[C@H](C[C@@H](O)c1ccc(F)cc1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000877130310 1299172612 /nfs/dbraw/zinc/17/26/12/1299172612.db2.gz QJEPLTUTVCOIOF-FZKQIMNGSA-N 1 0 332.375 3.378 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]Cc2ccccc2OC(F)F)c1 ZINC000749663258 1299251825 /nfs/dbraw/zinc/25/18/25/1299251825.db2.gz OFXSOHJRWJFDIF-CQSZACIVSA-N 1 0 338.310 3.019 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2CCCOc3ccc(F)cc32)c1 ZINC000749684337 1299255408 /nfs/dbraw/zinc/25/54/08/1299255408.db2.gz BLTUXULFOBIFLM-DLBZAZTESA-N 1 0 346.358 3.271 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H](O)c2cc(F)cc(Cl)c2)cc1 ZINC000877483522 1299333466 /nfs/dbraw/zinc/33/34/66/1299333466.db2.gz WNFNXKJHZUUVFB-MRXNPFEDSA-N 1 0 338.766 3.253 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000877560683 1299399608 /nfs/dbraw/zinc/39/96/08/1299399608.db2.gz YDVLZWDQSHFEIA-OAHLLOKOSA-N 1 0 347.459 3.325 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)s1 ZINC000754655344 1300184030 /nfs/dbraw/zinc/18/40/30/1300184030.db2.gz HSHUNRXMFNJCDG-GXTWGEPZSA-N 1 0 336.413 3.055 20 5 EGBDRO O=[N+]([O-])c1cccc(CC[NH2+]Cc2occc2Br)c1 ZINC000758609958 1300921421 /nfs/dbraw/zinc/92/14/21/1300921421.db2.gz FOVVQKDPEMSFFR-UHFFFAOYSA-N 1 0 325.162 3.283 20 5 EGBDRO Cc1nccn1CCCOc1cccc(Br)c1[N+](=O)[O-] ZINC000883071110 1302231118 /nfs/dbraw/zinc/23/11/18/1302231118.db2.gz OORAEPCVZFLBTD-UHFFFAOYSA-N 1 0 340.177 3.331 20 5 EGBDRO Cc1c([C@H](C)[NH2+]C[C@H](O)COc2cccc(F)c2)cccc1[N+](=O)[O-] ZINC000765286077 1302238068 /nfs/dbraw/zinc/23/80/68/1302238068.db2.gz DVJPPXATBIWKCC-ZFWWWQNUSA-N 1 0 348.374 3.133 20 5 EGBDRO Cc1ccc(NC(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)cc1[N+](=O)[O-] ZINC000765665098 1302298726 /nfs/dbraw/zinc/29/87/26/1302298726.db2.gz YXIGDKJAASOXBA-HNNXBMFYSA-N 1 0 332.404 3.042 20 5 EGBDRO COc1ccc(F)cc1[C@H](C)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000765848659 1302338477 /nfs/dbraw/zinc/33/84/77/1302338477.db2.gz LEJPLPPRFRWXJW-ZBEGNZNMSA-N 1 0 334.347 3.127 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H]2CCCOc3ccccc32)cc1 ZINC000765848937 1302338895 /nfs/dbraw/zinc/33/88/95/1302338895.db2.gz LHSWJRBFMGICLP-SJORKVTESA-N 1 0 328.368 3.132 20 5 EGBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000766305485 1302427732 /nfs/dbraw/zinc/42/77/32/1302427732.db2.gz AUTGMTSTPIVVBL-WDEREUQCSA-N 1 0 340.811 3.195 20 5 EGBDRO C[C@H](NC(=O)c1cc(F)ccc1[N+](=O)[O-])[C@@H](c1ccccc1)[NH+](C)C ZINC000770042908 1303211255 /nfs/dbraw/zinc/21/12/55/1303211255.db2.gz BVRBZPQPSGRDGA-SJCJKPOMSA-N 1 0 345.374 3.155 20 5 EGBDRO O=C(OCC[NH+]1CCCCC1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000770405289 1303262658 /nfs/dbraw/zinc/26/26/58/1303262658.db2.gz ZMKPVGPVZMYIQT-UHFFFAOYSA-N 1 0 346.305 3.256 20 5 EGBDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1Cc1cccnc1[N+](=O)[O-] ZINC000886019624 1303320759 /nfs/dbraw/zinc/32/07/59/1303320759.db2.gz YBNDOJXFJILQCE-INIZCTEOSA-N 1 0 340.427 3.086 20 5 EGBDRO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000886035410 1303328790 /nfs/dbraw/zinc/32/87/90/1303328790.db2.gz MCTMTXZPRYTPGL-UONOGXRCSA-N 1 0 333.413 3.139 20 5 EGBDRO CC(C)[C@H](CN(C)Cc1ccccc1)[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886140498 1303371063 /nfs/dbraw/zinc/37/10/63/1303371063.db2.gz JETKXRUECCCRKH-SFHVURJKSA-N 1 0 342.443 3.236 20 5 EGBDRO O=[N+]([O-])c1ncccc1C[NH2+][C@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC000886190299 1303390723 /nfs/dbraw/zinc/39/07/23/1303390723.db2.gz LIZKNQXMVLCJLV-KRWDZBQOSA-N 1 0 347.802 3.135 20 5 EGBDRO CC[C@H]([NH2+][C@@H](CO)C[C@@H](O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000773110131 1303626247 /nfs/dbraw/zinc/62/62/47/1303626247.db2.gz VPTMXMGCYBAFRI-NZSAHSFTSA-N 1 0 344.411 3.120 20 5 EGBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@H](C)[NH+]1CCCCCC1)CC2 ZINC000773996719 1303763152 /nfs/dbraw/zinc/76/31/52/1303763152.db2.gz OAAXMBALNZXFKT-AWEZNQCLSA-N 1 0 331.416 3.057 20 5 EGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCc2ccc(Cl)nc2)n1 ZINC000774223962 1303788730 /nfs/dbraw/zinc/78/87/30/1303788730.db2.gz LRFSXUHHUJIUHQ-ZIAGYGMSSA-N 1 0 349.822 3.156 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)c1C ZINC000887649500 1303882753 /nfs/dbraw/zinc/88/27/53/1303882753.db2.gz WDUGREQSHIRLIZ-QGZVFWFLSA-N 1 0 341.411 3.244 20 5 EGBDRO COC(=O)[C@@H]1CCCC[C@]1(C)[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000775992951 1304075624 /nfs/dbraw/zinc/07/56/24/1304075624.db2.gz NMIJOTRCEJHHPE-LRDDRELGSA-N 1 0 340.807 3.460 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CC[C@@H](Cc3ccc(F)cc3)C2)cc1 ZINC000776583554 1304174877 /nfs/dbraw/zinc/17/48/77/1304174877.db2.gz FVUGLAYXPFOGAN-HNAYVOBHSA-N 1 0 344.386 3.332 20 5 EGBDRO COc1ccccc1[C@H]1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776584312 1304174922 /nfs/dbraw/zinc/17/49/22/1304174922.db2.gz KWXBIFSVHHOJOV-YJBOKZPZSA-N 1 0 342.395 3.126 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCS[C@@H](c3ccccc3)C2)cc1 ZINC000776584325 1304175191 /nfs/dbraw/zinc/17/51/91/1304175191.db2.gz LSMLHGCABHAJFK-QZTJIDSGSA-N 1 0 344.436 3.418 20 5 EGBDRO CC[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@H](C)c1cccc(O)c1 ZINC000776588611 1304176546 /nfs/dbraw/zinc/17/65/46/1304176546.db2.gz ACNRNGKCEYTHGC-FZKQIMNGSA-N 1 0 330.384 3.417 20 5 EGBDRO C[C@@]1([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCCc2ccccc21 ZINC000776592411 1304178102 /nfs/dbraw/zinc/17/81/02/1304178102.db2.gz ONNJPJVLAYCPLD-RBUKOAKNSA-N 1 0 326.396 3.470 20 5 EGBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H](OC)C(F)(F)F)cc1[N+](=O)[O-] ZINC000777008246 1304232811 /nfs/dbraw/zinc/23/28/11/1304232811.db2.gz FSEGYYQOEMMEHL-NOZJJQNGSA-N 1 0 336.310 3.221 20 5 EGBDRO CC(C)[C@@H]1CCC[N@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000780499091 1304700326 /nfs/dbraw/zinc/70/03/26/1304700326.db2.gz RJHNECBWGOIGIG-OAHLLOKOSA-N 1 0 329.404 3.179 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)c1C ZINC000890310035 1304746646 /nfs/dbraw/zinc/74/66/46/1304746646.db2.gz SVHKQYILKMMZGH-HNNXBMFYSA-N 1 0 333.432 3.062 20 5 EGBDRO C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)CC1(c2ccccc2)CC1 ZINC000781928716 1304893209 /nfs/dbraw/zinc/89/32/09/1304893209.db2.gz DNLGXDROTHHTSW-SFHVURJKSA-N 1 0 326.396 3.292 20 5 EGBDRO COC(=O)C1(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CCCC1 ZINC000783667823 1305125353 /nfs/dbraw/zinc/12/53/53/1305125353.db2.gz SFJLNNIESSVURP-UHFFFAOYSA-N 1 0 326.780 3.071 20 5 EGBDRO CC[C@](C)([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000784264725 1305217837 /nfs/dbraw/zinc/21/78/37/1305217837.db2.gz DGPLHYHGBIBPCY-LPHOPBHVSA-N 1 0 344.411 3.250 20 5 EGBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000892113659 1305254139 /nfs/dbraw/zinc/25/41/39/1305254139.db2.gz ZYWREDYDWCSHOH-HUUCEWRRSA-N 1 0 348.447 3.029 20 5 EGBDRO CC(C)(C)Oc1cc(NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)ccc1[N+](=O)[O-] ZINC000785797028 1305436683 /nfs/dbraw/zinc/43/66/83/1305436683.db2.gz TZMWJQBCNXJCNM-CABCVRRESA-N 1 0 349.431 3.047 20 5 EGBDRO CCc1ccc([C@@H](CNc2ccc(N)cc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000786575832 1305602763 /nfs/dbraw/zinc/60/27/63/1305602763.db2.gz XFGYZLKEEDBQDC-GOSISDBHSA-N 1 0 328.416 3.454 20 5 EGBDRO COc1c(O)ccc(C[NH2+]CC2(c3cccc(F)c3)CC2)c1[N+](=O)[O-] ZINC000892990480 1305642204 /nfs/dbraw/zinc/64/22/04/1305642204.db2.gz BSQCZIWGOAUEKP-UHFFFAOYSA-N 1 0 346.358 3.270 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1COC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000786881486 1305645377 /nfs/dbraw/zinc/64/53/77/1305645377.db2.gz NIPYKFDLWJXZAI-MRXNPFEDSA-N 1 0 348.399 3.054 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@H](C2(C)OCCO2)C1 ZINC000787414016 1305743780 /nfs/dbraw/zinc/74/37/80/1305743780.db2.gz WLSFQOVVLGASSE-HKBKRHGFSA-N 1 0 346.427 3.473 20 5 EGBDRO C[C@@H]([NH2+]CCCN(C)c1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788501632 1305956954 /nfs/dbraw/zinc/95/69/54/1305956954.db2.gz GACSZSFYIHVQBG-CQSZACIVSA-N 1 0 328.416 3.354 20 5 EGBDRO C[C@@H]([NH2+]C[C@H](C)N1CCc2ccccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788574420 1305974257 /nfs/dbraw/zinc/97/42/57/1305974257.db2.gz TUQGIAQWOHCMAY-UONOGXRCSA-N 1 0 340.427 3.279 20 5 EGBDRO C[C@H]([NH2+]CCOc1ccc(F)c(F)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788642470 1305989142 /nfs/dbraw/zinc/98/91/42/1305989142.db2.gz ZQFSNFNYDRTFNI-JTQLQIEISA-N 1 0 337.326 3.185 20 5 EGBDRO CC(C)(CNC(=S)Nc1ccc([N+](=O)[O-])cc1)C[NH+]1CCCC1 ZINC000790355826 1306306709 /nfs/dbraw/zinc/30/67/09/1306306709.db2.gz ZVXLMCYDPAQWAG-UHFFFAOYSA-N 1 0 336.461 3.003 20 5 EGBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000790577010 1306356825 /nfs/dbraw/zinc/35/68/25/1306356825.db2.gz RCLGIEZMNJWJAP-AWEZNQCLSA-N 1 0 339.823 3.098 20 5 EGBDRO COc1c(O)ccc(C[NH2+]C[C@@H]2CSc3ccccc32)c1[N+](=O)[O-] ZINC000894658549 1309008679 /nfs/dbraw/zinc/00/86/79/1309008679.db2.gz LSNMZNFVOFFHRQ-GFCCVEGCSA-N 1 0 346.408 3.288 20 5 EGBDRO O=[N+]([O-])c1ccc(CNC2(c3ccc(F)cc3)CC2)c([N+](=O)[O-])c1 ZINC000792873597 1309248516 /nfs/dbraw/zinc/24/85/16/1309248516.db2.gz UMARYNKKIVBUKO-UHFFFAOYSA-N 1 0 331.303 3.421 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH+]2CCC(CC(F)(F)F)CC2)cc1 ZINC000792933403 1309263546 /nfs/dbraw/zinc/26/35/46/1309263546.db2.gz JPRKCQQKAXUWRJ-AWEZNQCLSA-N 1 0 332.322 3.293 20 5 EGBDRO C[C@@H](CCNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)[NH+](C)C ZINC000895298520 1309274465 /nfs/dbraw/zinc/27/44/65/1309274465.db2.gz YRLYHQIUVIJWBV-LBPRGKRZSA-N 1 0 334.445 3.148 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)C[NH+]2CCCCC2)c1C ZINC000895802644 1309527338 /nfs/dbraw/zinc/52/73/38/1309527338.db2.gz NLDURYGKHPVMGZ-CYBMUJFWSA-N 1 0 333.432 3.063 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2ncn(C[N@H+](CC3CC3)CC3CCC3)n2)c1 ZINC000794711022 1309579670 /nfs/dbraw/zinc/57/96/70/1309579670.db2.gz OEQDSRNHUNCVBM-UHFFFAOYSA-N 1 0 341.415 3.323 20 5 EGBDRO Cc1nn(C[N@H+](CC2CC2)CC2CCC2)c2ncc([N+](=O)[O-])cc12 ZINC000794710078 1309580500 /nfs/dbraw/zinc/58/05/00/1309580500.db2.gz IRHWZHHXQAATKT-UHFFFAOYSA-N 1 0 329.404 3.118 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]Cc1cnn(CC2CCC2)c1 ZINC000897433234 1310335797 /nfs/dbraw/zinc/33/57/97/1310335797.db2.gz SMRMIXBGVYBYLD-XBXARRHUSA-N 1 0 326.400 3.394 20 5 EGBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)c1ccc([N+](=O)[O-])cc1Br ZINC000798395671 1310354071 /nfs/dbraw/zinc/35/40/71/1310354071.db2.gz KNCCTEXPBFUYPN-MFKMUULPSA-N 1 0 342.237 3.134 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@H](CCO)Cc1ccccc1 ZINC000799351433 1310534483 /nfs/dbraw/zinc/53/44/83/1310534483.db2.gz PBVTUMZJEVEYRX-WGLAMXGCSA-N 1 0 326.396 3.191 20 5 EGBDRO CC[NH+]1CCC(NC(=O)Nc2cc([N+](=O)[O-])c(Cl)cc2C)CC1 ZINC000823107061 1320155588 /nfs/dbraw/zinc/15/55/88/1320155588.db2.gz LXVKGAQTTNBRSN-UHFFFAOYSA-N 1 0 340.811 3.162 20 5 EGBDRO CO[C@H]1C[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C12CCC2 ZINC000839183809 1320888543 /nfs/dbraw/zinc/88/85/43/1320888543.db2.gz ZQBZJUSPJHPDAR-MSOLQXFVSA-N 1 0 345.443 3.111 20 5 EGBDRO CCO[C@@H]1CCC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1Br ZINC000839616268 1320945062 /nfs/dbraw/zinc/94/50/62/1320945062.db2.gz RURWAEMDCXCHRL-DGCLKSJQSA-N 1 0 343.221 3.405 20 5 EGBDRO CCC1([NH2+]CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CCCC1 ZINC000839611238 1320945707 /nfs/dbraw/zinc/94/57/07/1320945707.db2.gz UFBCKOMIOYKOFT-UHFFFAOYSA-N 1 0 325.796 3.499 20 5 EGBDRO O=C(OCc1cc(Cl)ccc1[N+](=O)[O-])C1CC[NH+](C2CC2)CC1 ZINC000801873236 1316959802 /nfs/dbraw/zinc/95/98/02/1316959802.db2.gz OJICXXKSQAESHM-UHFFFAOYSA-N 1 0 338.791 3.166 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)OC(=O)C1CC[NH+](C2CC2)CC1 ZINC000801875713 1316960007 /nfs/dbraw/zinc/96/00/07/1316960007.db2.gz SQJRJEXPZYKXRD-CYBMUJFWSA-N 1 0 332.400 3.382 20 5 EGBDRO C[NH+](C)[C@H](CNc1c([N+](=O)[O-])cccc1[N+](=O)[O-])c1ccccc1 ZINC000804322192 1317218473 /nfs/dbraw/zinc/21/84/73/1317218473.db2.gz ZZNIBKNPCWYASI-OAHLLOKOSA-N 1 0 330.344 3.218 20 5 EGBDRO C[NH+](C)[C@H](CNc1c([N+](=O)[O-])cccc1[N+](=O)[O-])c1cccs1 ZINC000804325494 1317219618 /nfs/dbraw/zinc/21/96/18/1317219618.db2.gz WAXWCSFFIHDIEC-GFCCVEGCSA-N 1 0 336.373 3.279 20 5 EGBDRO C[C@@H]1C[N@H+](CCCNc2cc(Cl)ccc2[N+](=O)[O-])CCCO1 ZINC000804650726 1317269539 /nfs/dbraw/zinc/26/95/39/1317269539.db2.gz VGXFXXPGSIGXIR-GFCCVEGCSA-N 1 0 327.812 3.161 20 5 EGBDRO O=C(c1ccccc1)c1ccc(N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)c([N+](=O)[O-])c1 ZINC000900428219 1317288095 /nfs/dbraw/zinc/28/80/95/1317288095.db2.gz OTJVZEFNTJIPOW-HLLBOEOZSA-N 1 0 337.379 3.131 20 5 EGBDRO [NH3+]C[C@]12CC[C@@H]1CCN2c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000900453126 1317289915 /nfs/dbraw/zinc/28/99/15/1317289915.db2.gz XNXWFARZGBFPKR-FZKQIMNGSA-N 1 0 342.374 3.114 20 5 EGBDRO CN(C(=O)c1ccc(C[NH+]2CCCCC2)o1)c1ccc([N+](=O)[O-])cc1 ZINC000901712411 1317465832 /nfs/dbraw/zinc/46/58/32/1317465832.db2.gz RDLKTTQAEDKKED-UHFFFAOYSA-N 1 0 343.383 3.450 20 5 EGBDRO CC(=O)c1ccc([N+](=O)[O-])cc1NCCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000807991660 1317608784 /nfs/dbraw/zinc/60/87/84/1317608784.db2.gz OWHJMJVCPBIJFX-KBPBESRZSA-N 1 0 349.431 3.099 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]Cc1ccc(CCO)cc1)C1CC1 ZINC000903396217 1317696212 /nfs/dbraw/zinc/69/62/12/1317696212.db2.gz KYHSJGQVKHMSNT-IBGZPJMESA-N 1 0 340.423 3.241 20 5 EGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@H]1CCCN1CC(F)F ZINC000858231730 1328717697 /nfs/dbraw/zinc/71/76/97/1328717697.db2.gz PHJALEOPCQVBHM-GFCCVEGCSA-N 1 0 333.766 3.067 20 5 EGBDRO C[NH+](C)CCN(Cc1ccccn1)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000809741186 1317886118 /nfs/dbraw/zinc/88/61/18/1317886118.db2.gz PFAOSLUEWCPJHE-UHFFFAOYSA-N 1 0 348.834 3.207 20 5 EGBDRO C[NH2+]Cc1cccc(NC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC000906626546 1318129290 /nfs/dbraw/zinc/12/92/90/1318129290.db2.gz GOXFNKNYRSEXEJ-IRXDYDNUSA-N 1 0 325.368 3.056 20 5 EGBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811484405 1318183936 /nfs/dbraw/zinc/18/39/36/1318183936.db2.gz WGQMMVYNNPYUCI-XPTSAGLGSA-N 1 0 344.242 3.474 20 5 EGBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811484406 1318184046 /nfs/dbraw/zinc/18/40/46/1318184046.db2.gz WGQMMVYNNPYUCI-YMTOWFKASA-N 1 0 344.242 3.474 20 5 EGBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]CCN1CC=CCC1 ZINC000811500119 1318186127 /nfs/dbraw/zinc/18/61/27/1318186127.db2.gz XRHJMORWMQNAOT-UHFFFAOYSA-N 1 0 330.215 3.253 20 5 EGBDRO C[C@H]1C[C@@H](Nc2cc(Br)ccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000811811896 1318272524 /nfs/dbraw/zinc/27/25/24/1318272524.db2.gz HWQUGPDZEGUUNJ-GXSJLCMTSA-N 1 0 340.221 3.394 20 5 EGBDRO Cc1cc(C[NH+](C)C)ccc1NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000909614137 1318502842 /nfs/dbraw/zinc/50/28/42/1318502842.db2.gz PZMZTIXTAGBEQN-UHFFFAOYSA-N 1 0 342.399 3.015 20 5 EGBDRO CC[N@@H+]1CCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[C@H](C)C1 ZINC000910292722 1318599710 /nfs/dbraw/zinc/59/97/10/1318599710.db2.gz KGGQQAFDKBLPBE-GFCCVEGCSA-N 1 0 347.440 3.366 20 5 EGBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccc(NC(N)=O)cc1 ZINC000815579435 1319019531 /nfs/dbraw/zinc/01/95/31/1319019531.db2.gz MXBQEEYBGYKIOD-MNOVXSKESA-N 1 0 343.387 3.079 20 5 EGBDRO C[C@@H]([NH2+]CCN(C)Cc1ccc(F)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815586266 1319022481 /nfs/dbraw/zinc/02/24/81/1319022481.db2.gz DEUWZXAKSQQHMV-CYBMUJFWSA-N 1 0 346.406 3.099 20 5 EGBDRO C[C@@H]([NH2+]CCCNc1cccc(F)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815615111 1319029475 /nfs/dbraw/zinc/02/94/75/1319029475.db2.gz IRGOANQNKVWZQF-GFCCVEGCSA-N 1 0 332.379 3.469 20 5 EGBDRO C[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1Cl)[NH+]1CCC(C)CC1 ZINC000816908176 1319244168 /nfs/dbraw/zinc/24/41/68/1319244168.db2.gz UDRNKJLZYBFAHQ-GFCCVEGCSA-N 1 0 339.823 3.098 20 5 EGBDRO C[C@@H]([NH2+]Cc1cccc2c1CCCN2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817974574 1319482381 /nfs/dbraw/zinc/48/23/81/1319482381.db2.gz DVBFCHGMHXGRIN-GFCCVEGCSA-N 1 0 326.400 3.386 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC([NH2+]C2CCC2)CC1 ZINC000930317193 1328832287 /nfs/dbraw/zinc/83/22/87/1328832287.db2.gz RKHHUZIJFVXHOG-UHFFFAOYSA-N 1 0 346.431 3.350 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1cccc(OCC[NH3+])c1 ZINC000818542953 1319556600 /nfs/dbraw/zinc/55/66/00/1319556600.db2.gz YVLNYMHMAPHCMK-UHFFFAOYSA-N 1 0 343.383 3.110 20 5 EGBDRO Cc1[nH]c2ccccc2c1CC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819005673 1319611826 /nfs/dbraw/zinc/61/18/26/1319611826.db2.gz UYXLVROVWUPDEM-IBGZPJMESA-N 1 0 339.395 3.250 20 5 EGBDRO Cc1ccc(C[C@@H](C)[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000819042673 1319620447 /nfs/dbraw/zinc/62/04/47/1319620447.db2.gz RABGAXWOWVWIOB-DNVCBOLYSA-N 1 0 328.412 3.466 20 5 EGBDRO CC(C)c1ccccc1OCC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819055288 1319623745 /nfs/dbraw/zinc/62/37/45/1319623745.db2.gz RPDYIICUEHNXCR-GOSISDBHSA-N 1 0 344.411 3.420 20 5 EGBDRO CC(C)(C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000819079388 1319628543 /nfs/dbraw/zinc/62/85/43/1319628543.db2.gz DBYQFOCTFXBMTN-QGZVFWFLSA-N 1 0 332.375 3.335 20 5 EGBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]C[C@H](O)c2cccc(F)c2)cc1 ZINC000819091697 1319631918 /nfs/dbraw/zinc/63/19/18/1319631918.db2.gz JJBFYNHSBDHRPX-SFHVURJKSA-N 1 0 332.375 3.380 20 5 EGBDRO CCO[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C12CCCCC2 ZINC000819103908 1319635739 /nfs/dbraw/zinc/63/57/39/1319635739.db2.gz MLCAHUNCPOJHIP-FGTMMUONSA-N 1 0 348.443 3.346 20 5 EGBDRO CC[C@@H](C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)Oc1cccc(F)c1 ZINC000819142574 1319648421 /nfs/dbraw/zinc/64/84/21/1319648421.db2.gz RVZDXGCSSJJWJZ-WMZOPIPTSA-N 1 0 348.374 3.215 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2COc3ccc(Cl)cc32)c1 ZINC000819161364 1319653675 /nfs/dbraw/zinc/65/36/75/1319653675.db2.gz FSRGLEXZDMXWEQ-LSDHHAIUSA-N 1 0 334.759 3.005 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CC2(c3ccc(F)cc3F)CC2)cc1 ZINC000819193173 1319664691 /nfs/dbraw/zinc/66/46/91/1319664691.db2.gz CVXIDRCSODCRCI-KRWDZBQOSA-N 1 0 348.349 3.228 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CC2(c3ccc(F)cc3F)CC2)c1 ZINC000819193377 1319664882 /nfs/dbraw/zinc/66/48/82/1319664882.db2.gz GSAIMTMTYMXMAC-KRWDZBQOSA-N 1 0 348.349 3.228 20 5 EGBDRO C[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000916568505 1319674369 /nfs/dbraw/zinc/67/43/69/1319674369.db2.gz HVBAPPSSUAYAAP-CMPLNLGQSA-N 1 0 325.796 3.355 20 5 EGBDRO O=[N+]([O-])CC[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 ZINC000930372190 1328844169 /nfs/dbraw/zinc/84/41/69/1328844169.db2.gz HIVSUWOKPYIVMW-CQSZACIVSA-N 1 0 332.322 3.039 20 5 EGBDRO CCOc1cccc([C@@H]2C[C@H]2[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000819282074 1319688512 /nfs/dbraw/zinc/68/85/12/1319688512.db2.gz SVXMYCMRMAWHLA-OTWHNJEPSA-N 1 0 342.395 3.173 20 5 EGBDRO CSCc1ccc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000819308114 1319694000 /nfs/dbraw/zinc/69/40/00/1319694000.db2.gz FFOHLECBRPIOES-QGZVFWFLSA-N 1 0 332.425 3.281 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@@H]2CCCCC(F)(F)C2)cc1 ZINC000819325479 1319697174 /nfs/dbraw/zinc/69/71/74/1319697174.db2.gz FCJFNEGUTBAOHF-DOMZBBRYSA-N 1 0 328.359 3.433 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H]2C[C@H](c3ccc(F)cc3)C2)cc1 ZINC000819330574 1319699920 /nfs/dbraw/zinc/69/99/20/1319699920.db2.gz VROMNGMDCLBSSI-QGPMSJSTSA-N 1 0 330.359 3.303 20 5 EGBDRO Cc1c(C[NH2+]CCc2cnn(-c3ccccc3)c2)cccc1[N+](=O)[O-] ZINC000917135983 1319761212 /nfs/dbraw/zinc/76/12/12/1319761212.db2.gz JJRBDIAKXGKAAV-UHFFFAOYSA-N 1 0 336.395 3.421 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000820001937 1319821192 /nfs/dbraw/zinc/82/11/92/1319821192.db2.gz FVKCBKHFRNHUCT-UHFFFAOYSA-N 1 0 343.383 3.307 20 5 EGBDRO CCC[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000930450398 1328857746 /nfs/dbraw/zinc/85/77/46/1328857746.db2.gz GYMHOLDGQFSDAX-QZTJIDSGSA-N 1 0 345.443 3.031 20 5 EGBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1(CNC(=O)OC(C)(C)C)CCC1 ZINC000824932717 1320297347 /nfs/dbraw/zinc/29/73/47/1320297347.db2.gz VMIPWTFHTONLRP-UHFFFAOYSA-N 1 0 349.431 3.474 20 5 EGBDRO Cc1cc(C)c(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC000825221500 1320319613 /nfs/dbraw/zinc/31/96/13/1320319613.db2.gz OBYRLLJPJCGYIB-UHFFFAOYSA-N 1 0 340.427 3.365 20 5 EGBDRO C[C@@H](CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000825460587 1320340989 /nfs/dbraw/zinc/34/09/89/1320340989.db2.gz BKTAYPQALIHVJG-NEPJUHHUSA-N 1 0 339.823 3.098 20 5 EGBDRO CC(C)(C)[N@@H+]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000858910294 1328888937 /nfs/dbraw/zinc/88/89/37/1328888937.db2.gz SVYOJVVSNBOSRG-UHFFFAOYSA-N 1 0 339.823 3.195 20 5 EGBDRO Cc1cc(C(=O)Nc2ccc(C[NH+](C)C)c(C)c2)c(N)c([N+](=O)[O-])c1 ZINC000838275958 1320753163 /nfs/dbraw/zinc/75/31/63/1320753163.db2.gz AAUKJMPWECFHQE-UHFFFAOYSA-N 1 0 342.399 3.108 20 5 EGBDRO COC[C@@]1(C)CCN(Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000930602816 1328910491 /nfs/dbraw/zinc/91/04/91/1328910491.db2.gz DKUXOPZGEQQKIQ-AWEZNQCLSA-N 1 0 343.221 3.216 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)CCNC(=O)OC(C)(C)C ZINC000839136685 1320878630 /nfs/dbraw/zinc/87/86/30/1320878630.db2.gz WWGLXDQJPPUGLW-ZDUSSCGKSA-N 1 0 337.420 3.421 20 5 EGBDRO Cc1cc(Cl)c(C(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000839440452 1320921351 /nfs/dbraw/zinc/92/13/51/1320921351.db2.gz TXOYMKUMXCSOAE-LBPRGKRZSA-N 1 0 339.823 3.111 20 5 EGBDRO COC1([C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2Br)CCC1 ZINC000839661190 1320953179 /nfs/dbraw/zinc/95/31/79/1320953179.db2.gz TXSLHOLAIHKSQG-SNVBAGLBSA-N 1 0 343.221 3.405 20 5 EGBDRO O=C(CC[N@@H+]1CC[C@@H](C2CCC2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000839681246 1320960531 /nfs/dbraw/zinc/96/05/31/1320960531.db2.gz RDEVEZNOVOWKKO-CYBMUJFWSA-N 1 0 335.379 3.185 20 5 EGBDRO COc1cc(NCc2cccc([N+](=O)[O-])c2)ccc1OCC[NH+](C)C ZINC000841893306 1321327653 /nfs/dbraw/zinc/32/76/53/1321327653.db2.gz IGSVWAMIQDVIFB-UHFFFAOYSA-N 1 0 345.399 3.156 20 5 EGBDRO COC1([C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2Br)CCC1 ZINC000930721445 1328949636 /nfs/dbraw/zinc/94/96/36/1328949636.db2.gz GBTXAGJAWQIFAB-SNVBAGLBSA-N 1 0 343.221 3.405 20 5 EGBDRO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C[C@]1(O)CCc2ccccc21 ZINC000843421506 1321516891 /nfs/dbraw/zinc/51/68/91/1321516891.db2.gz QNEAKNQGFXLRJL-QKWWCAPFSA-N 1 0 338.407 3.374 20 5 EGBDRO CCCC[NH+]1CCC(NC(=O)c2c(C)c(F)ccc2[N+](=O)[O-])CC1 ZINC000843795113 1321548599 /nfs/dbraw/zinc/54/85/99/1321548599.db2.gz UVGIPRCDWAWWFG-UHFFFAOYSA-N 1 0 337.395 3.037 20 5 EGBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1c(C)c(F)ccc1[N+](=O)[O-] ZINC000843799644 1321548722 /nfs/dbraw/zinc/54/87/22/1321548722.db2.gz ZOTUIVFIAWTJGE-CYBMUJFWSA-N 1 0 337.395 3.037 20 5 EGBDRO CC(C)(C)[N@@H+]1CC[C@H]1COC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000845737646 1321738773 /nfs/dbraw/zinc/73/87/73/1321738773.db2.gz IEOPTOYZIZYJBL-LBPRGKRZSA-N 1 0 331.372 3.106 20 5 EGBDRO CCOC[C@@H]1CCC[N@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C1 ZINC000848478741 1321962838 /nfs/dbraw/zinc/96/28/38/1321962838.db2.gz MTRNQUQLWAOSJI-OAHLLOKOSA-N 1 0 344.415 3.164 20 5 EGBDRO CCOC1(C)CC[NH+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)CC1 ZINC000848488793 1321964720 /nfs/dbraw/zinc/96/47/20/1321964720.db2.gz JAFBDWMAFFRIRZ-UHFFFAOYSA-N 1 0 344.415 3.307 20 5 EGBDRO C[C@](O)(CC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccccc1 ZINC000848547421 1321973582 /nfs/dbraw/zinc/97/35/82/1321973582.db2.gz NRCLHDHDXQTDEF-HKUYNNGSSA-N 1 0 326.396 3.470 20 5 EGBDRO C[C@H](CN(C)C(=O)OC(C)(C)C)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000850416983 1322243149 /nfs/dbraw/zinc/24/31/49/1322243149.db2.gz IWAANEMDDSQTON-QSYFUGGGSA-N 1 0 349.431 3.453 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@](C)(O)c1ccc(F)cc1 ZINC000850450234 1322251425 /nfs/dbraw/zinc/25/14/25/1322251425.db2.gz ZLUCKQDPQZHXAG-SGTLLEGYSA-N 1 0 348.374 3.301 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](C)[C@@H](O)c1ccccc1 ZINC000850469535 1322253768 /nfs/dbraw/zinc/25/37/68/1322253768.db2.gz RXELHDFCMKFKMB-ZJNRKIDTSA-N 1 0 330.384 3.376 20 5 EGBDRO COC[C@@H]([NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1cccc(OC)c1 ZINC000850514090 1322260097 /nfs/dbraw/zinc/26/00/97/1322260097.db2.gz LJAOBXWIOKVDNN-SJKOYZFVSA-N 1 0 345.399 3.224 20 5 EGBDRO CC(C)(C)OCCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000850526549 1322260657 /nfs/dbraw/zinc/26/06/57/1322260657.db2.gz PZGYEZGIIRMQEE-UHFFFAOYSA-N 1 0 335.448 3.358 20 5 EGBDRO COCOc1ccc(OC)cc1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000922537485 1322551620 /nfs/dbraw/zinc/55/16/20/1322551620.db2.gz GXZCMSVUAFXIGB-CYBMUJFWSA-N 1 0 346.383 3.437 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CC3CC4(C3)OCCO4)o2)cc1 ZINC000922799378 1322620425 /nfs/dbraw/zinc/62/04/25/1322620425.db2.gz PMMFUQDMMANLEA-UHFFFAOYSA-N 1 0 344.367 3.098 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC([NH2+]C2CCC2)CC1 ZINC000931061503 1329039800 /nfs/dbraw/zinc/03/98/00/1329039800.db2.gz HOIAYXJAYHUMDV-UHFFFAOYSA-N 1 0 346.431 3.350 20 5 EGBDRO C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)[C@@H]1CCC[NH3+] ZINC000851646058 1323068067 /nfs/dbraw/zinc/06/80/67/1323068067.db2.gz UTXDARKJVUTGRN-BXUZGUMPSA-N 1 0 339.823 3.228 20 5 EGBDRO Cc1noc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)c1[N+](=O)[O-] ZINC000851859997 1323104667 /nfs/dbraw/zinc/10/46/67/1323104667.db2.gz DMUJQPNZDSUPTK-CABCVRRESA-N 1 0 349.362 3.118 20 5 EGBDRO CC1(C)OC[C@H](CC[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)O1 ZINC000852136349 1323153564 /nfs/dbraw/zinc/15/35/64/1323153564.db2.gz WVSUZYUGGUDOLI-RDJZCZTQSA-N 1 0 334.416 3.316 20 5 EGBDRO O=[N+]([O-])c1ccc(Cl)cc1CNC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000853094087 1323279052 /nfs/dbraw/zinc/27/90/52/1323279052.db2.gz XWFHFHRRKPRSTG-CQSZACIVSA-N 1 0 337.851 3.460 20 5 EGBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000931626115 1329156280 /nfs/dbraw/zinc/15/62/80/1329156280.db2.gz PLLORAVALDYUFM-SNVBAGLBSA-N 1 0 340.811 3.020 20 5 EGBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000931626114 1329156350 /nfs/dbraw/zinc/15/63/50/1329156350.db2.gz PLLORAVALDYUFM-JTQLQIEISA-N 1 0 340.811 3.020 20 5 EGBDRO C[C@@H](NC(=O)N(C)[C@H](C)C1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000925235612 1325090750 /nfs/dbraw/zinc/09/07/50/1325090750.db2.gz MQDCEJFOUJUQAX-ZIAGYGMSSA-N 1 0 348.447 3.028 20 5 EGBDRO COc1cc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c([N+](=O)[O-])cc1C ZINC000853454934 1325095038 /nfs/dbraw/zinc/09/50/38/1325095038.db2.gz MHTMDBNBSYHWIF-HOCLYGCPSA-N 1 0 345.443 3.365 20 5 EGBDRO CC(=O)c1ccc([N+](=O)[O-])cc1NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000853996769 1325199867 /nfs/dbraw/zinc/19/98/67/1325199867.db2.gz NLFRUAVRUGLFGJ-HNNXBMFYSA-N 1 0 331.416 3.331 20 5 EGBDRO C[C@H]([NH2+]Cc1ccc2c(c1)C[C@H](C)O2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000926918677 1327776883 /nfs/dbraw/zinc/77/68/83/1327776883.db2.gz JBXJLUDXSNVLNH-RYUDHWBXSA-N 1 0 327.384 3.351 20 5 EGBDRO C[C@@H]([NH2+]C[C@@H]1CN(c2ccccc2)CCO1)c1ccc([N+](=O)[O-])cc1 ZINC000932179011 1329791368 /nfs/dbraw/zinc/79/13/68/1329791368.db2.gz VITSWRGUQQHFFR-DNVCBOLYSA-N 1 0 341.411 3.151 20 5 EGBDRO O=[N+]([O-])c1ccc(OCCC[NH2+][C@@H](c2ccccn2)C2CC2)cc1 ZINC000932382444 1329810563 /nfs/dbraw/zinc/81/05/63/1329810563.db2.gz SIVHVOVZDORGPS-GOSISDBHSA-N 1 0 327.384 3.500 20 5 EGBDRO CC(C)C[C@H](CCO)C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866275718 1330089455 /nfs/dbraw/zinc/08/94/55/1330089455.db2.gz FQBHWTQIIXGBHU-KBPBESRZSA-N 1 0 326.412 3.299 20 5 EGBDRO CC(C)c1nnc([C@H](C)[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])[nH]1 ZINC000866312592 1330095048 /nfs/dbraw/zinc/09/50/48/1330095048.db2.gz OTRGMWXOBDCWPJ-MNOVXSKESA-N 1 0 335.383 3.257 20 5 EGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@]1(C)CCO[C@H]1C1CC1 ZINC000866339343 1330098247 /nfs/dbraw/zinc/09/82/47/1330098247.db2.gz AHXRJOPFJLRHDW-OCBCSQNSSA-N 1 0 336.407 3.460 20 5 EGBDRO COCc1nc(C[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])cs1 ZINC000866360844 1330102418 /nfs/dbraw/zinc/10/24/18/1330102418.db2.gz GVTHNHVZTDUPSB-SNVBAGLBSA-N 1 0 339.392 3.058 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CC[C@H](O)C3CCCC3)CC2)cc1 ZINC000866636497 1330136291 /nfs/dbraw/zinc/13/62/91/1330136291.db2.gz LTHDJYQAZDBPNA-IBGZPJMESA-N 1 0 347.459 3.094 20 5 EGBDRO O=C(N[C@H]1CC[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CC1)c1ccoc1 ZINC001034593992 1342638809 /nfs/dbraw/zinc/63/88/09/1342638809.db2.gz XPKQLECALFTKOD-HDJSIYSDSA-N 1 0 349.412 3.080 20 5 EGBDRO CC1(C)C[C@H](Oc2c(Br)c(F)ccc2[N+](=O)[O-])CC[NH2+]1 ZINC001218476623 1373622104 /nfs/dbraw/zinc/62/21/04/1373622104.db2.gz JAYHHDRDKLDQIG-MRVPVSSYSA-N 1 0 347.184 3.406 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1nc(C(C)C)no1 ZINC001324416849 1387619342 /nfs/dbraw/zinc/61/93/42/1387619342.db2.gz JUNOYALVONTHLX-UKTHLTGXSA-N 1 0 330.388 3.337 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCC[N@@H+]3CCC[C@H]3C2)nc1-c1ccccc1 ZINC001324529100 1387660233 /nfs/dbraw/zinc/66/02/33/1387660233.db2.gz SPJFXEIGKWCDEA-INIZCTEOSA-N 1 0 338.411 3.331 20 5 EGBDRO CC(C)[NH+]1CCC(c2nnc(COc3ccccc3[N+](=O)[O-])o2)CC1 ZINC001325426556 1387970672 /nfs/dbraw/zinc/97/06/72/1387970672.db2.gz HDXPNWOCNWTJFN-UHFFFAOYSA-N 1 0 346.387 3.145 20 5 EGBDRO CC1(C(=O)NCC2([NH2+]Cc3cccc([N+](=O)[O-])c3)CCCCC2)CC1 ZINC001115547217 1370543950 /nfs/dbraw/zinc/54/39/50/1370543950.db2.gz RUXQNAPKMDYGOV-UHFFFAOYSA-N 1 0 345.443 3.304 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1-c1noc(C[C@@H](C)C2CC[NH2+]CC2)n1 ZINC001118242753 1371153320 /nfs/dbraw/zinc/15/33/20/1371153320.db2.gz IOWIDRXJXHRAIR-LLVKDONJSA-N 1 0 344.415 3.440 20 5 EGBDRO Cc1cncc([N+](=O)[O-])c1N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001326420455 1388183671 /nfs/dbraw/zinc/18/36/71/1388183671.db2.gz HVPITQZWNTYPIG-DOTOQJQBSA-N 1 0 340.427 3.185 20 5 EGBDRO C[NH+]1CCN(c2cccc(Nc3cccc([N+](=O)[O-])c3F)c2)CC1 ZINC001210380079 1372338047 /nfs/dbraw/zinc/33/80/47/1372338047.db2.gz OYAODSYXZAYSGB-UHFFFAOYSA-N 1 0 330.363 3.229 20 5 EGBDRO C[NH+]1CCN(c2ccc(F)cc2Nc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC001210952977 1372459977 /nfs/dbraw/zinc/45/99/77/1372459977.db2.gz AZHFOTWFVMRBDN-UHFFFAOYSA-N 1 0 348.353 3.368 20 5 EGBDRO CCOC(=O)[C@H]1C[NH2+]CCN1Cc1c2ccccc2cc2ccccc21 ZINC001211361694 1372540589 /nfs/dbraw/zinc/54/05/89/1372540589.db2.gz AJUWLJDISKFUGG-OAQYLSRUSA-N 1 0 348.446 3.330 20 5 EGBDRO CC(C)(C)CCCCC(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001128044761 1373212398 /nfs/dbraw/zinc/21/23/98/1373212398.db2.gz ZYGVBHIPPXPBFX-UHFFFAOYSA-N 1 0 335.448 3.407 20 5 EGBDRO CC(C)(C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC001129624924 1373404487 /nfs/dbraw/zinc/40/44/87/1373404487.db2.gz SYISQJSCRUPDBU-UHFFFAOYSA-N 1 0 333.432 3.017 20 5 EGBDRO C[NH2+][C@H]1C[C@H](Oc2cc(C(F)(F)F)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC001217955567 1373518659 /nfs/dbraw/zinc/51/86/59/1373518659.db2.gz WPRNLFJLFAURLV-CZMCAQCFSA-N 1 0 341.289 3.291 20 5 EGBDRO O=c1c2ccc(O)cc2oc2cc(O[C@H]3C[NH2+]CCC[C@@H]3F)ccc12 ZINC001217980066 1373525297 /nfs/dbraw/zinc/52/52/97/1373525297.db2.gz IUGFNCQQAFACBO-YJBOKZPZSA-N 1 0 343.354 3.121 20 5 EGBDRO C[C@H]1C[NH2+]CCC[C@@H]1Oc1cccc([N+](=O)[O-])c1Br ZINC001217989170 1373528182 /nfs/dbraw/zinc/52/81/82/1373528182.db2.gz RXQXKNNJABFNTP-ONGXEEELSA-N 1 0 329.194 3.124 20 5 EGBDRO C[C@@H](Oc1ccc2c(c1)oc1cc(O)ccc1c2=O)C1CC[NH2+]CC1 ZINC001218006425 1373533565 /nfs/dbraw/zinc/53/35/65/1373533565.db2.gz QOSSNXBXHHEMNZ-GFCCVEGCSA-N 1 0 339.391 3.419 20 5 EGBDRO C[C@@H](Oc1cccc(Br)c1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC001218009241 1373535817 /nfs/dbraw/zinc/53/58/17/1373535817.db2.gz JIRDPEJPYFOBOQ-SECBINFHSA-N 1 0 329.194 3.124 20 5 EGBDRO Cc1cc(Br)cc([N+](=O)[O-])c1O[C@@H]1CC[NH2+]CC[C@H]1F ZINC001218017469 1373538864 /nfs/dbraw/zinc/53/88/64/1373538864.db2.gz JOXIBTCCKYLKQV-ZYHUDNBSSA-N 1 0 347.184 3.135 20 5 EGBDRO C[C@H]1CC[NH2+]CC[C@@H]1Oc1ccc(OC(F)(F)F)cc1[N+](=O)[O-] ZINC001218022488 1373540460 /nfs/dbraw/zinc/54/04/60/1373540460.db2.gz FAHUDMZNHRGMRO-CABZTGNLSA-N 1 0 334.294 3.260 20 5 EGBDRO C[C@H]1CC[NH2+]CC[C@H]1Oc1ccc(OC(F)(F)F)cc1[N+](=O)[O-] ZINC001218022492 1373540516 /nfs/dbraw/zinc/54/05/16/1373540516.db2.gz FAHUDMZNHRGMRO-JOYOIKCWSA-N 1 0 334.294 3.260 20 5 EGBDRO Cc1cc(Br)c(O[C@H]2CC[NH2+][C@H](C)C2)cc1[N+](=O)[O-] ZINC001218061641 1373550388 /nfs/dbraw/zinc/55/03/88/1373550388.db2.gz QDDATSFYGPSHQW-ZJUUUORDSA-N 1 0 329.194 3.185 20 5 EGBDRO O=[N+]([O-])c1cc(Br)cc(OC2CC3(C2)CC[NH2+]CC3)c1 ZINC001218105276 1373561907 /nfs/dbraw/zinc/56/19/07/1373561907.db2.gz WYBOXCWYQKYAKG-UHFFFAOYSA-N 1 0 341.205 3.268 20 5 EGBDRO CC(C)(C)c1cc([N+](=O)[O-])c(O[C@H]2CCC3(C[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC001218236819 1373580727 /nfs/dbraw/zinc/58/07/27/1373580727.db2.gz CULQXWDUXWIWPW-LBPRGKRZSA-N 1 0 349.387 3.321 20 5 EGBDRO Oc1ccc(O)c2c(O[C@H]3CCC[NH2+]C3)c3ccccc3c(O)c12 ZINC001218282718 1373588453 /nfs/dbraw/zinc/58/84/53/1373588453.db2.gz AHFQBMMFMJQGPS-NSHDSACASA-N 1 0 325.364 3.241 20 5 EGBDRO O=[N+]([O-])c1cccc(O[C@@H]2CC[NH2+]C3(CCC3)C2)c1Br ZINC001218305224 1373591753 /nfs/dbraw/zinc/59/17/53/1373591753.db2.gz AIHXLAWBDHEHEC-SNVBAGLBSA-N 1 0 341.205 3.411 20 5 EGBDRO Cc1cc(O[C@H]2CC[NH2+]CC2(C)C)c([N+](=O)[O-])cc1Br ZINC001218311994 1373593338 /nfs/dbraw/zinc/59/33/38/1373593338.db2.gz SGUGEBZWUHDXKK-ZDUSSCGKSA-N 1 0 343.221 3.433 20 5 EGBDRO CCC(C)(C)c1cc([N+](=O)[O-])c(O[C@@H]2C[C@H]3C[NH2+]C[C@@H]32)c([N+](=O)[O-])c1 ZINC001218332431 1373598239 /nfs/dbraw/zinc/59/82/39/1373598239.db2.gz WMOFUCCADJRQHC-ITDIGPHOSA-N 1 0 349.387 3.177 20 5 EGBDRO CCC(C)(C)c1cc([N+](=O)[O-])c(O[C@@H]2C[C@@H]3C[NH2+]C[C@H]23)c([N+](=O)[O-])c1 ZINC001218332430 1373598422 /nfs/dbraw/zinc/59/84/22/1373598422.db2.gz WMOFUCCADJRQHC-IFUGULHKSA-N 1 0 349.387 3.177 20 5 EGBDRO C[C@H]1CC[C@H](Oc2cc([N+](=O)[O-])c(F)cc2Br)C[NH2+]1 ZINC001218395260 1373606273 /nfs/dbraw/zinc/60/62/73/1373606273.db2.gz VFSVSNLJSDUOMS-YUMQZZPRSA-N 1 0 333.157 3.016 20 5 EGBDRO C[C@@H]1CC[C@@H](Oc2ccc3c(c2)oc2cc(O)ccc2c3=O)C[NH2+]1 ZINC001218400339 1373607362 /nfs/dbraw/zinc/60/73/62/1373607362.db2.gz DLFQVNLSTHOPML-BXUZGUMPSA-N 1 0 325.364 3.171 20 5 EGBDRO O=[N+]([O-])c1cc(OC(F)(F)F)ccc1O[C@@H]1C[NH2+]CCC12CC2 ZINC001218405861 1373609012 /nfs/dbraw/zinc/60/90/12/1373609012.db2.gz RNGYLRWNCVLLGU-GFCCVEGCSA-N 1 0 332.278 3.014 20 5 EGBDRO Cc1cc(Br)c(O[C@H]2CC[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC001218427376 1373610671 /nfs/dbraw/zinc/61/06/71/1373610671.db2.gz ZYFFELDNVKODSE-CABZTGNLSA-N 1 0 329.194 3.043 20 5 EGBDRO CC(C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1c(Cl)nccc1[N+](=O)[O-])C2 ZINC001225431775 1375109436 /nfs/dbraw/zinc/10/94/36/1375109436.db2.gz UOIBTRQCQULRPP-GDNZZTSVSA-N 1 0 325.796 3.426 20 5 EGBDRO O=[N+]([O-])c1ncccc1O[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001225630846 1375135939 /nfs/dbraw/zinc/13/59/39/1375135939.db2.gz AJZVKHOTLVFPJS-YESZJQIVSA-N 1 0 339.395 3.279 20 5 EGBDRO O=[N+]([O-])c1ccc(O[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nc1 ZINC001225634975 1375136281 /nfs/dbraw/zinc/13/62/81/1375136281.db2.gz UCCRYKINAFFAAE-CGTJXYLNSA-N 1 0 339.395 3.279 20 5 EGBDRO O=[N+]([O-])c1cccc(O[C@H]2CCN3Cc4ccccc4N=C23)c1F ZINC001225797161 1375156697 /nfs/dbraw/zinc/15/66/97/1375156697.db2.gz QOBDHIWRHULYNZ-HNNXBMFYSA-N 1 0 327.315 3.431 20 5 EGBDRO O=[N+]([O-])c1ccc(O[C@H]2COCC[N@H+](Cc3ccccc3)C2)cc1F ZINC001225914985 1375174649 /nfs/dbraw/zinc/17/46/49/1375174649.db2.gz DFQNNTRVENBZFG-MRXNPFEDSA-N 1 0 346.358 3.014 20 5 EGBDRO CO[C@@H]1CC[N@H+](CCOc2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC001225972948 1375181541 /nfs/dbraw/zinc/18/15/41/1375181541.db2.gz LSECEXLAIKOTOH-LJQANCHMSA-N 1 0 342.395 3.361 20 5 EGBDRO CC(C)(C)CC(=O)NC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001226077471 1375199251 /nfs/dbraw/zinc/19/92/51/1375199251.db2.gz QNFMWBFQMLKHKZ-UHFFFAOYSA-N 1 0 333.432 3.112 20 5 EGBDRO O=[N+]([O-])c1cnc(OC2CCN(c3cc[nH+]cc3)CC2)c(Cl)c1 ZINC001226255860 1375227903 /nfs/dbraw/zinc/22/79/03/1375227903.db2.gz OZJSJCHZSQTDSO-UHFFFAOYSA-N 1 0 334.763 3.086 20 5 EGBDRO CC/C=C(/C)C(=O)NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001226361117 1375245904 /nfs/dbraw/zinc/24/59/04/1375245904.db2.gz KZHXTTNMSOOGOP-CPSFFCFKSA-N 1 0 331.416 3.032 20 5 EGBDRO O=[N+]([O-])c1ccc(O[C@H]2[C@@H]3CC[C@H]2C[N@@H+](Cc2ccccc2)C3)cn1 ZINC001226712547 1375314889 /nfs/dbraw/zinc/31/48/89/1375314889.db2.gz OSXNTNTZIPTFEO-MNZLEMJZSA-N 1 0 339.395 3.279 20 5 EGBDRO Cc1cc(OC[C@@H]2CN(Cc3ccccc3)CCO2)cc([N+](=O)[O-])c1 ZINC001228832742 1375688943 /nfs/dbraw/zinc/68/89/43/1375688943.db2.gz BUFXBYYRIIUUQH-IBGZPJMESA-N 1 0 342.395 3.183 20 5 EGBDRO CCC(C)(C)C(=O)NC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001228935609 1375721360 /nfs/dbraw/zinc/72/13/60/1375721360.db2.gz VKYMXJTTZUPWBY-UHFFFAOYSA-N 1 0 333.432 3.112 20 5 EGBDRO O=[N+]([O-])c1ccc(O)c(O[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC001229395294 1375827173 /nfs/dbraw/zinc/82/71/73/1375827173.db2.gz GUCJHFNCGJCFMK-MRXNPFEDSA-N 1 0 328.368 3.344 20 5 EGBDRO C[NH+](C)[C@H]1CC[C@H](Oc2cc(Br)cnc2[N+](=O)[O-])CC1 ZINC001229560688 1375854350 /nfs/dbraw/zinc/85/43/50/1375854350.db2.gz PPWUWDUTQFFMKO-XYPYZODXSA-N 1 0 344.209 3.004 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1C[C@H](C)Oc1cccc([C@H](C)[NH+](C)C)c1 ZINC001229626895 1375868351 /nfs/dbraw/zinc/86/83/51/1375868351.db2.gz NHVUXFCBUDMPBX-STQMWFEESA-N 1 0 332.404 3.190 20 5 EGBDRO C[NH+](C)Cc1cc(F)ccc1O[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001229853113 1375904516 /nfs/dbraw/zinc/90/45/16/1375904516.db2.gz BYWZBPXCNUEMGH-QGZVFWFLSA-N 1 0 330.359 3.342 20 5 EGBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc2ccccc2c1 ZINC001148870419 1379287447 /nfs/dbraw/zinc/28/74/47/1379287447.db2.gz BNIUDOHCMHEETH-UHFFFAOYSA-N 1 0 349.390 3.268 20 5 EGBDRO Cc1ccc(-c2ccc(N[C@H]3CCC[C@H]([NH3+])C3)nn2)cc1[N+](=O)[O-] ZINC001154987772 1380385943 /nfs/dbraw/zinc/38/59/43/1380385943.db2.gz NUDUJRDGKUVXHA-KBPBESRZSA-N 1 0 327.388 3.042 20 5 EGBDRO [NH3+][C@H]1Cc2ccccc2N(c2nc(Cl)c(Cl)cc2[N+](=O)[O-])C1 ZINC001155297235 1380434534 /nfs/dbraw/zinc/43/45/34/1380434534.db2.gz AHVQWTSYTCYBLA-VIFPVBQESA-N 1 0 339.182 3.318 20 5 EGBDRO O=[N+]([O-])c1cccc2nc(N[C@@H]3C[NH2+]Cc4ccsc43)ccc21 ZINC001155560259 1380468497 /nfs/dbraw/zinc/46/84/97/1380468497.db2.gz BYYXWTXGESWOHO-CYBMUJFWSA-N 1 0 326.381 3.461 20 5 EGBDRO CN1CCC(CNc2ccc3ccc4cccnc4c3n2)([NH+](C)C)CC1 ZINC001156181942 1380537821 /nfs/dbraw/zinc/53/78/21/1380537821.db2.gz KAYAGAGHGOXFRO-UHFFFAOYSA-N 1 0 349.482 3.221 20 5 EGBDRO C[N@@H+]1CCC[C@H](CCNc2cc3ncnc(Cl)c3cc2[N+](=O)[O-])C1 ZINC001156379600 1380567984 /nfs/dbraw/zinc/56/79/84/1380567984.db2.gz WETUEVOZKMKCQQ-LLVKDONJSA-N 1 0 349.822 3.335 20 5 EGBDRO C[N@@H+]1CCC[C@H](CCNc2ccc(-c3ccc([N+](=O)[O-])cc3)nn2)C1 ZINC001156390562 1380569815 /nfs/dbraw/zinc/56/98/15/1380569815.db2.gz YMRWVHFWOYAKMQ-CQSZACIVSA-N 1 0 341.415 3.196 20 5 EGBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2C(C)(C)CC([NH3+])CC2(C)C)n1 ZINC001156771629 1380631942 /nfs/dbraw/zinc/63/19/42/1380631942.db2.gz XQWHBJUCVDWFGD-UHFFFAOYSA-N 1 0 326.828 3.436 20 5 EGBDRO CN(c1cc(Cl)nc2ccc([N+](=O)[O-])cc21)[C@@]1(C)CCC[NH2+]C1 ZINC001156976169 1380741025 /nfs/dbraw/zinc/74/10/25/1380741025.db2.gz CMBILNWDJQHZOC-INIZCTEOSA-N 1 0 334.807 3.375 20 5 EGBDRO Cc1cc(N2CC[C@@H]([N@@H+](C)C(C)C)C2)nc2ccc([N+](=O)[O-])cc12 ZINC001157010555 1380751144 /nfs/dbraw/zinc/75/11/44/1380751144.db2.gz RYIVDWFAQDQZMQ-OAHLLOKOSA-N 1 0 328.416 3.370 20 5 EGBDRO Cc1cc(Cl)nc(N2CC[NH2+][C@H](c3ccccc3)C2)c1[N+](=O)[O-] ZINC001157759690 1381024409 /nfs/dbraw/zinc/02/44/09/1381024409.db2.gz UPDLTZZFVUUMEA-ZDUSSCGKSA-N 1 0 332.791 3.103 20 5 EGBDRO CC(C)N(c1nc2ccccc2c(Cl)c1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC001158025039 1381105895 /nfs/dbraw/zinc/10/58/95/1381105895.db2.gz CQMVWGKOEZBABF-LLVKDONJSA-N 1 0 334.807 3.373 20 5 EGBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N[C@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)n1 ZINC001158268634 1381179570 /nfs/dbraw/zinc/17/95/70/1381179570.db2.gz PPKKBTLKVSPMAO-BONVTDFDSA-N 1 0 341.843 3.302 20 5 EGBDRO [NH3+]Cc1ccc2c(n1)N(c1nccc3ccc([N+](=O)[O-])cc31)CCC2 ZINC001158651648 1381337409 /nfs/dbraw/zinc/33/74/09/1381337409.db2.gz FICSZPSYTFMIEZ-UHFFFAOYSA-N 1 0 335.367 3.081 20 5 EGBDRO C[C@]1(C[NH3+])CCCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C1 ZINC001158684727 1381352692 /nfs/dbraw/zinc/35/26/92/1381352692.db2.gz RWMIJBIHBBKLQJ-GOSISDBHSA-N 1 0 326.400 3.222 20 5 EGBDRO O=C(NCCC1=CCN(Cc2csc([N+](=O)[O-])c2)CC1)C1CCC1 ZINC001159088947 1381576751 /nfs/dbraw/zinc/57/67/51/1381576751.db2.gz LBBXJFHGDMEPAJ-UHFFFAOYSA-N 1 0 349.456 3.095 20 5 EGBDRO Cc1ccc(Nc2cccnc2OC2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC001159241767 1381741350 /nfs/dbraw/zinc/74/13/50/1381741350.db2.gz FQLPJQNEHULXKR-UHFFFAOYSA-N 1 0 328.372 3.173 20 5 EGBDRO [NH3+][C@@H]1CCN(c2ccc(F)cc2Nc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001160055965 1381984540 /nfs/dbraw/zinc/98/45/40/1381984540.db2.gz KRGONEFYMDEEIW-GFCCVEGCSA-N 1 0 334.326 3.154 20 5 EGBDRO O=[N+]([O-])c1ccc(F)c(Nc2c(F)cccc2N2CC[NH2+]CC2)c1 ZINC001160057145 1381985213 /nfs/dbraw/zinc/98/52/13/1381985213.db2.gz FSVCOEVHZFWSBS-UHFFFAOYSA-N 1 0 334.326 3.026 20 5 EGBDRO Nc1cc(F)ccc1N(CC1CC[NH2+]CC1)c1ccccc1[N+](=O)[O-] ZINC001160092005 1381994501 /nfs/dbraw/zinc/99/45/01/1381994501.db2.gz AYOMGCFATHIELK-UHFFFAOYSA-N 1 0 344.390 3.454 20 5 EGBDRO Cc1c(C)c(NC2CC[NH+](CC(=O)C(C)(C)C)CC2)ncc1[N+](=O)[O-] ZINC001161120396 1382307075 /nfs/dbraw/zinc/30/70/75/1382307075.db2.gz WZHVYPSMLWINDW-UHFFFAOYSA-N 1 0 348.447 3.098 20 5 EGBDRO O=[N+]([O-])c1cnc(NC[C@]2(CC3CC3)CCC[NH2+]2)c2ccccc21 ZINC001162351526 1382737974 /nfs/dbraw/zinc/73/79/74/1382737974.db2.gz WPIPNNMDGOZSBK-GOSISDBHSA-N 1 0 326.400 3.477 20 5 EGBDRO CC(C)(C)OC(=O)c1ccc(N[C@H]2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC001162399741 1382747170 /nfs/dbraw/zinc/74/71/70/1382747170.db2.gz DGUFYFOYCFRZKK-RYUDHWBXSA-N 1 0 335.404 3.232 20 5 EGBDRO Cc1ccc2c(ccnc2NC[C@@]2(F)CCCC[NH2+]C2)c1[N+](=O)[O-] ZINC001162579667 1382797019 /nfs/dbraw/zinc/79/70/19/1382797019.db2.gz NEOKJVBAEDRSPM-QGZVFWFLSA-N 1 0 332.379 3.345 20 5 EGBDRO [NH3+]C[C@@H]1Cc2ccccc2CN1c1ccc2cccc([N+](=O)[O-])c2n1 ZINC001162740466 1382853998 /nfs/dbraw/zinc/85/39/98/1382853998.db2.gz AOJIGZKYRIHKOQ-INIZCTEOSA-N 1 0 334.379 3.033 20 5 EGBDRO [NH3+]C[C@@H]1Cc2ccccc2CN1c1nccc2cc([N+](=O)[O-])ccc21 ZINC001162745082 1382856046 /nfs/dbraw/zinc/85/60/46/1382856046.db2.gz SKVQGLRVWUFMQA-KRWDZBQOSA-N 1 0 334.379 3.033 20 5 EGBDRO Cc1c(NCC[C@H]2C[NH2+]Cc3cccn3C2)cc(F)cc1[N+](=O)[O-] ZINC001163056282 1382956576 /nfs/dbraw/zinc/95/65/76/1382956576.db2.gz CJWGZIPCHNFLSV-ZDUSSCGKSA-N 1 0 332.379 3.065 20 5 EGBDRO Cc1c(F)cc([N+](=O)[O-])cc1NCC[C@H]1C[NH2+]Cc2cccn2C1 ZINC001163066065 1382959547 /nfs/dbraw/zinc/95/95/47/1382959547.db2.gz RLIXOYOGXPLLHE-ZDUSSCGKSA-N 1 0 332.379 3.065 20 5 EGBDRO COc1c(N[C@H]2C[NH+]3CCC2CC3)c(C)c(Cl)cc1[N+](=O)[O-] ZINC001163393971 1383041287 /nfs/dbraw/zinc/04/12/87/1383041287.db2.gz AEMLFAGGLCNFSM-LBPRGKRZSA-N 1 0 325.796 3.071 20 5 EGBDRO O=C(C=C1CCC1)NCCC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001164035766 1383148781 /nfs/dbraw/zinc/14/87/81/1383148781.db2.gz GCMLZRZJLCBICO-UHFFFAOYSA-N 1 0 343.427 3.081 20 5 EGBDRO C[C@H]1CC[C@H](C[NH3+])N(c2nc3ccccc3c(Cl)c2[N+](=O)[O-])C1 ZINC001164069380 1383152830 /nfs/dbraw/zinc/15/28/30/1383152830.db2.gz JWXCSEQPBBEGLL-WDEREUQCSA-N 1 0 334.807 3.360 20 5 EGBDRO C[C@@]1(C[NH3+])CCCN(C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)CC1 ZINC001164247059 1383170903 /nfs/dbraw/zinc/17/09/03/1383170903.db2.gz HDILJORAWCVSSM-CYBMUJFWSA-N 1 0 348.781 3.143 20 5 EGBDRO C[C@H]1CC[C@H](C[NH3+])CN1c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC001164475452 1383190481 /nfs/dbraw/zinc/19/04/81/1383190481.db2.gz ZZTDTHKJRPMFAT-UONOGXRCSA-N 1 0 326.400 3.220 20 5 EGBDRO [NH3+]CC1(F)CCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC1 ZINC001165264073 1383261560 /nfs/dbraw/zinc/26/15/60/1383261560.db2.gz OUOAMLBKLXTSFO-UHFFFAOYSA-N 1 0 348.353 3.063 20 5 EGBDRO C[NH2+]Cc1cccc(Nc2nc(SC)nc(Cl)c2[N+](=O)[O-])c1 ZINC001167033346 1383524640 /nfs/dbraw/zinc/52/46/40/1383524640.db2.gz VTACMVQEMNNVST-UHFFFAOYSA-N 1 0 339.808 3.223 20 5 EGBDRO O=[N+]([O-])c1c(Cl)ccnc1-n1c2ccc(F)cc2c2c1CC[NH2+]C2 ZINC001167085140 1383536064 /nfs/dbraw/zinc/53/60/64/1383536064.db2.gz PLUNQKVCAIRZNY-UHFFFAOYSA-N 1 0 346.749 3.372 20 5 EGBDRO COc1cc([N+](=O)[O-])c(NCCC[N@@H+]2CCCC[C@@H]2C)cc1F ZINC001167752867 1383731036 /nfs/dbraw/zinc/73/10/36/1383731036.db2.gz ICXMPFXQUGKPFN-LBPRGKRZSA-N 1 0 325.384 3.419 20 5 EGBDRO CN(C)c1ccc(N2C[C@H](CC[NH3+])c3ccccc32)c([N+](=O)[O-])c1 ZINC001168549871 1383934634 /nfs/dbraw/zinc/93/46/34/1383934634.db2.gz WKGNODIXNVRPRW-ZDUSSCGKSA-N 1 0 326.400 3.245 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]CCOC(=O)Cc2ccccc2)cc1[N+](=O)[O-] ZINC001168553569 1383935551 /nfs/dbraw/zinc/93/55/51/1383935551.db2.gz ULCGAKKWQUZUPH-HNNXBMFYSA-N 1 0 342.395 3.340 20 5 EGBDRO [NH3+]Cc1ccc2ncn(-c3ccc(C(F)(F)F)c([N+](=O)[O-])c3)c2c1 ZINC001168844831 1384032108 /nfs/dbraw/zinc/03/21/08/1384032108.db2.gz STWUZUQPNVFKFX-UHFFFAOYSA-N 1 0 336.273 3.411 20 5 EGBDRO [NH3+]CCCc1nc2ccc(Cl)cc2n1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168979223 1384077712 /nfs/dbraw/zinc/07/77/12/1384077712.db2.gz XFWULAFODOCYQF-WCQYABFASA-N 1 0 336.823 3.199 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2cncn2Cc2ccc(Cl)cc2)C1 ZINC001168996102 1384082196 /nfs/dbraw/zinc/08/21/96/1384082196.db2.gz VGTODPBHXKAEDB-GDBMZVCRSA-N 1 0 348.834 3.120 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CC2(Cc3ccccc3)CCOCC2)C1 ZINC001168998198 1384082700 /nfs/dbraw/zinc/08/27/00/1384082700.db2.gz JMPYNLAQRCLCSE-ZWKOTPCHSA-N 1 0 332.444 3.061 20 5 EGBDRO C[N@H+](Cc1ccccc1Br)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169009096 1384087246 /nfs/dbraw/zinc/08/72/46/1384087246.db2.gz VLJVPYVPUCXBSR-WCQYABFASA-N 1 0 327.222 3.326 20 5 EGBDRO COc1cc(C)ccc1OC1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169036435 1384096088 /nfs/dbraw/zinc/09/60/88/1384096088.db2.gz FWQKLCKCHSTZHB-CVEARBPZSA-N 1 0 348.443 3.292 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H](n2c3ccccc3nc2[C@@H]2CCCC[NH2+]2)C1 ZINC001169036142 1384096638 /nfs/dbraw/zinc/09/66/38/1384096638.db2.gz FMTMIDTVQQOVOA-FMKPAKJESA-N 1 0 328.416 3.469 20 5 EGBDRO COc1ccc(C(=O)C2CC[NH+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)cc1 ZINC001169038016 1384097355 /nfs/dbraw/zinc/09/73/55/1384097355.db2.gz VCRATQQVVIYQEI-PBHICJAKSA-N 1 0 346.427 3.035 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCc3ccc(OC(F)(F)F)cc3C2)C1 ZINC001169044572 1384099764 /nfs/dbraw/zinc/09/97/64/1384099764.db2.gz IKXFHAVVRRREDS-BXUZGUMPSA-N 1 0 344.333 3.389 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCC(n3cnc4ccccc43)CC2)C1 ZINC001169055336 1384101523 /nfs/dbraw/zinc/10/15/23/1384101523.db2.gz PRTOLULGMVEBMA-ZBFHGGJFSA-N 1 0 328.416 3.119 20 5 EGBDRO CC1(C)C[C@@H](Nc2ccc3ncc([N+](=O)[O-])n3c2)C[C@@](C)(C[NH3+])C1 ZINC001169141189 1384112701 /nfs/dbraw/zinc/11/27/01/1384112701.db2.gz AXJQLYQTBSPDLE-CXAGYDPISA-N 1 0 331.420 3.198 20 5 EGBDRO COC(=O)c1ccc([N+](=O)[O-])cc1N[C@H]1CC(C)(C)C[C@@](C)(C[NH3+])C1 ZINC001169142548 1384113309 /nfs/dbraw/zinc/11/33/09/1384113309.db2.gz HEVVSEFSWKGGPD-SGTLLEGYSA-N 1 0 349.431 3.337 20 5 EGBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)c1 ZINC001169151396 1384115286 /nfs/dbraw/zinc/11/52/86/1384115286.db2.gz JFUOTHNEDIOADG-FZKQIMNGSA-N 1 0 349.431 3.337 20 5 EGBDRO COc1ccc2c(c1)c(CC[NH3+])c(C)n2-c1cc(C)c([N+](=O)[O-])cn1 ZINC001169173473 1384119259 /nfs/dbraw/zinc/11/92/59/1384119259.db2.gz KHPBTFALJQPRRK-UHFFFAOYSA-N 1 0 340.383 3.060 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+]Cc2cc(C(C)C)no2)c([N+](=O)[O-])c1 ZINC001170304491 1384286604 /nfs/dbraw/zinc/28/66/04/1384286604.db2.gz CKYRBMQLZATNAF-LBPRGKRZSA-N 1 0 333.388 3.436 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H]2CCN(C3CCCC3)C2)c([N+](=O)[O-])c1 ZINC001170319775 1384289836 /nfs/dbraw/zinc/28/98/36/1384289836.db2.gz YZHWSENDKGYIGM-GDBMZVCRSA-N 1 0 347.459 3.141 20 5 EGBDRO COc1ccc(C[C@@H](C)N2CCC([NH+]3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC001170327218 1384292045 /nfs/dbraw/zinc/29/20/45/1384292045.db2.gz FXJBJGCKJODXMO-OAHLLOKOSA-N 1 0 347.459 3.095 20 5 EGBDRO COc1ccc(C[C@@H](C)Nc2ccc(OC)c(C[NH3+])c2)c([N+](=O)[O-])c1 ZINC001170329227 1384292848 /nfs/dbraw/zinc/29/28/48/1384292848.db2.gz YAPUCZRLIDQQIY-GFCCVEGCSA-N 1 0 345.399 3.114 20 5 EGBDRO COCCC1CC[NH+]([C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC001170344600 1384296121 /nfs/dbraw/zinc/29/61/21/1384296121.db2.gz DACIIDDTVIXCIT-CQSZACIVSA-N 1 0 336.432 3.283 20 5 EGBDRO COc1ccc(C[C@H](C)[NH+]2CC3(C2)C[C@@H](F)CS3)c([N+](=O)[O-])c1 ZINC001170353115 1384299455 /nfs/dbraw/zinc/29/94/55/1384299455.db2.gz VXOSCAVSVMATMS-WCQYABFASA-N 1 0 340.420 3.064 20 5 EGBDRO CCOc1cnc(NC2CC(C)(C)[NH+](C)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC001170452517 1384323150 /nfs/dbraw/zinc/32/31/50/1384323150.db2.gz ASINKSAIRSCHQC-UHFFFAOYSA-N 1 0 336.436 3.452 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]CCCc1ccccn1)CC2 ZINC001172901161 1384874073 /nfs/dbraw/zinc/87/40/73/1384874073.db2.gz KGQTYMWKXHQDTH-SFHVURJKSA-N 1 0 325.412 3.460 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]Cc1cccc(CO)c1)CC2 ZINC001172900987 1384874332 /nfs/dbraw/zinc/87/43/32/1384874332.db2.gz IHZRAOXCPHJYJC-SFHVURJKSA-N 1 0 326.396 3.124 20 5 EGBDRO C[C@@H]1C[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCC[C@@]1(C)O ZINC001172902936 1384874959 /nfs/dbraw/zinc/87/49/59/1384874959.db2.gz DGMSYGSCPLQFRY-DKSSEZFCSA-N 1 0 332.444 3.325 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH+]1CCC3(CCOC3)CC1)CC2 ZINC001172907062 1384875458 /nfs/dbraw/zinc/87/54/58/1384875458.db2.gz CHRVEBXUUBTPLQ-QGZVFWFLSA-N 1 0 330.428 3.345 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CC[C@]3(C1)CCCCO3)CC2 ZINC001172904403 1384875583 /nfs/dbraw/zinc/87/55/83/1384875583.db2.gz NDPHEFBKNCRCPF-MJGOQNOKSA-N 1 0 330.428 3.487 20 5 EGBDRO CCOC(=O)[C@@H]1CCCC[N@@H+]1[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172914262 1384876554 /nfs/dbraw/zinc/87/65/54/1384876554.db2.gz GBVPCYSBQIQZET-AEFFLSMTSA-N 1 0 346.427 3.260 20 5 EGBDRO O=C1CC[C@@]2(CCC[N@@H+]([C@H]3CCc4ccc([N+](=O)[O-])cc4CC3)C2)O1 ZINC001172921312 1384879776 /nfs/dbraw/zinc/87/97/76/1384879776.db2.gz OFVFZZSXMUBSDR-QFBILLFUSA-N 1 0 344.411 3.014 20 5 EGBDRO CC1(C)C[NH+](C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C1 ZINC001173014149 1384898051 /nfs/dbraw/zinc/89/80/51/1384898051.db2.gz LSFHYIZRHLUXLM-UHFFFAOYSA-N 1 0 325.359 3.184 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+](C)CCc2cccnc2)c1F ZINC001173196616 1384934023 /nfs/dbraw/zinc/93/40/23/1384934023.db2.gz OTUONRHSKJERNE-CYBMUJFWSA-N 1 0 347.390 3.243 20 5 EGBDRO O=C(NCCCCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC001177730083 1386029421 /nfs/dbraw/zinc/02/94/21/1386029421.db2.gz DZIZRSLGKLZVOJ-UHFFFAOYSA-N 1 0 333.432 3.161 20 5 EGBDRO CC(C)CC(=O)NCCCCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001177783793 1386043048 /nfs/dbraw/zinc/04/30/48/1386043048.db2.gz HDJKEVGCSUXBMA-UHFFFAOYSA-N 1 0 335.448 3.407 20 5 EGBDRO C/C=C(/C)C(=O)NCCCCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001178144085 1386140509 /nfs/dbraw/zinc/14/05/09/1386140509.db2.gz CJULAHBETBCAAY-CQPUUCJISA-N 1 0 333.432 3.327 20 5 EGBDRO CCC[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC001319851050 1386334352 /nfs/dbraw/zinc/33/43/52/1386334352.db2.gz LMNCZUYNGRXCNL-FJIDUMEYSA-N 1 0 348.443 3.154 20 5 EGBDRO O=C(CCCF)NCCCCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001179270301 1386435977 /nfs/dbraw/zinc/43/59/77/1386435977.db2.gz RQRNSYSBUCFZTG-UHFFFAOYSA-N 1 0 339.411 3.111 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1-c1noc(CCC2CC[NH2+]CC2)n1 ZINC001329433412 1389110265 /nfs/dbraw/zinc/11/02/65/1389110265.db2.gz NLNOACRMCVHZIA-UHFFFAOYSA-N 1 0 330.388 3.194 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2ncn(C[N@@H+]3CC[C@@H]4CCCC[C@H]4C3)n2)c1 ZINC001338782558 1389762313 /nfs/dbraw/zinc/76/23/13/1389762313.db2.gz RUCTVYJOHLDBEO-HOCLYGCPSA-N 1 0 341.415 3.323 20 5 EGBDRO CC[NH+](CC)C1CCN(C(=O)c2c(C)c(C)ccc2[N+](=O)[O-])CC1 ZINC001332043916 1389955733 /nfs/dbraw/zinc/95/57/33/1389955733.db2.gz KRPHCVCQQKGOBB-UHFFFAOYSA-N 1 0 333.432 3.158 20 5 EGBDRO C[C@H]([NH3+])c1ccc(C(=O)NC[C@@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC001341317576 1390470427 /nfs/dbraw/zinc/47/04/27/1390470427.db2.gz KEBIGDQMUNUDOL-OLZOCXBDSA-N 1 0 327.384 3.148 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1-c1nnc(CC[NH+]2CCC(C)CC2)o1 ZINC001341571474 1390504299 /nfs/dbraw/zinc/50/42/99/1390504299.db2.gz UIPIOSOUWLNPOE-UHFFFAOYSA-N 1 0 330.388 3.228 20 5 EGBDRO CC[N@@H+]1CC[C@H](CNC(=O)Nc2ccc([N+](=O)[O-])c3ccccc23)C1 ZINC001345940053 1390895812 /nfs/dbraw/zinc/89/58/12/1390895812.db2.gz WVKZZTVOJYOTFY-CYBMUJFWSA-N 1 0 342.399 3.211 20 5 EGBDRO CC1(CC(=O)N[C@H]2C[C@H]([NH2+]Cc3ccccc3[N+](=O)[O-])C2)CCCC1 ZINC001752649842 1440197890 /nfs/dbraw/zinc/19/78/90/1440197890.db2.gz CAEMIIRFTHRWQK-WKILWMFISA-N 1 0 345.443 3.302 20 5 EGBDRO CC[N@H+](CCNC(=O)CC(C)=C(C)C)Cc1cccc([N+](=O)[O-])c1 ZINC001753089786 1440298175 /nfs/dbraw/zinc/29/81/75/1440298175.db2.gz MNADSQMHXZQAOP-UHFFFAOYSA-N 1 0 333.432 3.279 20 5 EGBDRO CC(C)=CC(=O)NCCC[N@H+](Cc1cccc([N+](=O)[O-])c1)C(C)C ZINC001753282664 1440347884 /nfs/dbraw/zinc/34/78/84/1440347884.db2.gz NQAISYGJQLMNNT-UHFFFAOYSA-N 1 0 333.432 3.278 20 5 EGBDRO CN(CCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1)C(=O)CC1(C)CC1 ZINC001755039216 1440736133 /nfs/dbraw/zinc/73/61/33/1440736133.db2.gz QOQJZJYYPUIPLW-UHFFFAOYSA-N 1 0 333.432 3.065 20 5 EGBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1c1cc(Cl)nc2ccc([N+](=O)[O-])cc21 ZINC001164637598 719239031 /nfs/dbraw/zinc/23/90/31/719239031.db2.gz WNZNDQPVWHPOTN-QWRGUYRKSA-N 1 0 334.807 3.325 20 5 EGBDRO C[NH+](C)[C@@H]1CCCN(c2ccc3c(ccc(Cl)c3[N+](=O)[O-])n2)C1 ZINC001165037988 721892655 /nfs/dbraw/zinc/89/26/55/721892655.db2.gz DRDSQUFZACDOBP-LLVKDONJSA-N 1 0 334.807 3.327 20 5 EGBDRO CN(C(=O)C[N@@H+]1CCC[C@@H]1C1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000055927572 214348617 /nfs/dbraw/zinc/34/86/17/214348617.db2.gz JSRVDERZNBAYKN-QGZVFWFLSA-N 1 0 331.416 3.212 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)COCc2ccccc2)cc1[N+](=O)[O-] ZINC000178653379 232341052 /nfs/dbraw/zinc/34/10/52/232341052.db2.gz SCKKXVPRRRJDSB-CRAIPNDOSA-N 1 0 344.411 3.132 20 5 EGBDRO C[C@H]([NH2+][C@H]1CCN(c2ccccc2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000068947974 215347961 /nfs/dbraw/zinc/34/79/61/215347961.db2.gz WSDAFDRKIIUDPW-GUYCJALGSA-N 1 0 325.368 3.051 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)N2CCc3ccccc32)cc1[N+](=O)[O-] ZINC000181830518 234341888 /nfs/dbraw/zinc/34/18/88/234341888.db2.gz HXUPBTUQAWIWJD-AWEZNQCLSA-N 1 0 339.395 3.143 20 5 EGBDRO Cc1cc([C@](C)(O)C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)c(C)o1 ZINC000183813962 235233840 /nfs/dbraw/zinc/23/38/40/235233840.db2.gz LCVZMMMVIUHDLL-MRXNPFEDSA-N 1 0 338.791 3.455 20 5 EGBDRO C[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)CC2 ZINC000174660868 283261810 /nfs/dbraw/zinc/26/18/10/283261810.db2.gz ACDBOZBFQNMFJO-CABCVRRESA-N 1 0 345.443 3.201 20 5 EGBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@@H](C[C@H]4CCOC4)C3)nc2c1 ZINC000375016614 242051626 /nfs/dbraw/zinc/05/16/26/242051626.db2.gz YTYVYLVQGATXHH-UONOGXRCSA-N 1 0 345.399 3.375 20 5 EGBDRO Cc1ccccc1OCCC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369691750 242014827 /nfs/dbraw/zinc/01/48/27/242014827.db2.gz KHARXOAIYWGWNQ-UHFFFAOYSA-N 1 0 344.415 3.206 20 5 EGBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000081360995 217387084 /nfs/dbraw/zinc/38/70/84/217387084.db2.gz AROZVJUVAPZCGT-LBPRGKRZSA-N 1 0 339.823 3.052 20 5 EGBDRO O=[N+]([O-])c1ccc(NCC2([NH+]3CCCC3)CCOCC2)c(Cl)c1 ZINC000264317616 246344446 /nfs/dbraw/zinc/34/44/46/246344446.db2.gz UONLPGVEOCUEHX-UHFFFAOYSA-N 1 0 339.823 3.305 20 5 EGBDRO C[C@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CCOC1 ZINC000266158499 248137779 /nfs/dbraw/zinc/13/77/79/248137779.db2.gz MRDZAWHFSYGSTK-AAEUAGOBSA-N 1 0 333.413 3.233 20 5 EGBDRO CC[N@H+](C)C[C@H]1CCN(c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000266189442 248159210 /nfs/dbraw/zinc/15/92/10/248159210.db2.gz FURCXLSMWKHQKJ-LLVKDONJSA-N 1 0 342.237 3.135 20 5 EGBDRO CCCCNC(=O)[C@@H]1CCC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000266501148 248333525 /nfs/dbraw/zinc/33/35/25/248333525.db2.gz ANAZBZIJSRKBJO-HUUCEWRRSA-N 1 0 333.432 3.284 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000092759091 218164897 /nfs/dbraw/zinc/16/48/97/218164897.db2.gz RDSWNLREQCKECW-HOTGVXAUSA-N 1 0 345.443 3.076 20 5 EGBDRO COc1cc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc(OC)c1O ZINC000268876249 252324501 /nfs/dbraw/zinc/32/45/01/252324501.db2.gz VFLRYWKDMFUTSV-GFCCVEGCSA-N 1 0 346.383 3.477 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)cc1 ZINC000305052476 285110534 /nfs/dbraw/zinc/11/05/34/285110534.db2.gz NFFSUJKSQFEZTE-DLBZAZTESA-N 1 0 330.384 3.318 20 5 EGBDRO COCC1CC[NH+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000112352825 220310995 /nfs/dbraw/zinc/31/09/95/220310995.db2.gz BRXKIKCJDJWATN-UHFFFAOYSA-N 1 0 345.399 3.151 20 5 EGBDRO CC(C)n1nccc1NC(=O)[C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000112532106 220344820 /nfs/dbraw/zinc/34/48/20/220344820.db2.gz JVGIINIZBPOQCH-OLZOCXBDSA-N 1 0 345.403 3.050 20 5 EGBDRO CC[NH+](CC)CCCCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000112919672 220422567 /nfs/dbraw/zinc/42/25/67/220422567.db2.gz XITMJNSVKBBYHH-UHFFFAOYSA-N 1 0 327.812 3.100 20 5 EGBDRO CCCN(CC[NH+]1CCCCC1)C(=O)c1cccc([N+](=O)[O-])c1C ZINC000342790364 141147984 /nfs/dbraw/zinc/14/79/84/141147984.db2.gz AQALNQAATBASMF-UHFFFAOYSA-N 1 0 333.432 3.241 20 5 EGBDRO C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000185939903 144122327 /nfs/dbraw/zinc/12/23/27/144122327.db2.gz QKUVTSZSLCSBCJ-DYVFJYSZSA-N 1 0 342.399 3.408 20 5 EGBDRO CCO[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)[C@@H]1Oc1ccccc1 ZINC000187635256 144162410 /nfs/dbraw/zinc/16/24/10/144162410.db2.gz AFOZEVLIXPUHCN-ZOBUZTSGSA-N 1 0 348.424 3.371 20 5 EGBDRO C[C@@H](c1ccco1)[N@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000117336964 152094557 /nfs/dbraw/zinc/09/45/57/152094557.db2.gz GGYTZZQKCJGJOX-LBPRGKRZSA-N 1 0 345.355 3.179 20 5 EGBDRO COc1ccc(NC(=O)CC[NH2+][C@@H]2CC[C@H](C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000119281059 152191742 /nfs/dbraw/zinc/19/17/42/152191742.db2.gz AEMLEUVAELKFJZ-GZBFAFLISA-N 1 0 349.431 3.346 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1CC[C@H](C)C[C@H]1C ZINC000119558947 152213946 /nfs/dbraw/zinc/21/39/46/152213946.db2.gz ZGAXBYAFTGBQFC-GZBFAFLISA-N 1 0 349.431 3.346 20 5 EGBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@H](CC(F)(F)F)c2ccccc2)n1 ZINC000341582999 155365205 /nfs/dbraw/zinc/36/52/05/155365205.db2.gz HHWLZVSDKWOZSU-GFCCVEGCSA-N 1 0 328.294 3.075 20 5 EGBDRO CCN(CCC[NH+](C)C)c1ccc(Br)cc1[N+](=O)[O-] ZINC000230405669 153443213 /nfs/dbraw/zinc/44/32/13/153443213.db2.gz MWCUMPIYFWRORF-UHFFFAOYSA-N 1 0 330.226 3.135 20 5 EGBDRO [NH3+][C@@H]1CN(Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000261814726 153730882 /nfs/dbraw/zinc/73/08/82/153730882.db2.gz RTEHBRDVCZXIAK-JKSUJKDBSA-N 1 0 331.803 3.175 20 5 EGBDRO COc1ccc(-c2ccc(C[N@@H+]3CC[C@H]([C@H](C)O)C3)o2)c([N+](=O)[O-])c1 ZINC000305840313 154134935 /nfs/dbraw/zinc/13/49/35/154134935.db2.gz GXZODDNJABITKX-STQMWFEESA-N 1 0 346.383 3.066 20 5 EGBDRO Cc1ccnc(N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)c1[N+](=O)[O-] ZINC000310157951 154138869 /nfs/dbraw/zinc/13/88/69/154138869.db2.gz HPYIZDINJBJXAS-ZBFHGGJFSA-N 1 0 326.400 3.373 20 5 EGBDRO C[C@H]1[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000336718288 154211596 /nfs/dbraw/zinc/21/15/96/154211596.db2.gz RKUQHGKJGJGGTA-XJKSGUPXSA-N 1 0 331.441 3.409 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCCC[C@H]1OC(F)F ZINC000337395023 154332147 /nfs/dbraw/zinc/33/21/47/154332147.db2.gz IPZVLIIKRBRALX-TZMCWYRMSA-N 1 0 330.331 3.243 20 5 EGBDRO CC(C)(C)c1cnc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])s1 ZINC000348893196 156278688 /nfs/dbraw/zinc/27/86/88/156278688.db2.gz KDBZZJYUZLOWFA-UHFFFAOYSA-N 1 0 334.445 3.314 20 5 EGBDRO CN(C)c1ccc(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)cn1 ZINC000360089773 156912037 /nfs/dbraw/zinc/91/20/37/156912037.db2.gz VZEWAYDHDJFAKH-KRWDZBQOSA-N 1 0 340.427 3.167 20 5 EGBDRO CCOc1ccc([C@H](C)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000372449966 157333580 /nfs/dbraw/zinc/33/35/80/157333580.db2.gz OBAYXWJYPLNRFM-NUEKZKHPSA-N 1 0 333.432 3.271 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000093961372 162033827 /nfs/dbraw/zinc/03/38/27/162033827.db2.gz KKUSZPUZCDHAAQ-CQSZACIVSA-N 1 0 333.432 3.124 20 5 EGBDRO O=C(Nc1cccc(CC[NH+]2CCCC2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000094122406 162041356 /nfs/dbraw/zinc/04/13/56/162041356.db2.gz BMZCIPVOBKHMIS-UHFFFAOYSA-N 1 0 339.395 3.485 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H]1CC[C@H](C)C[C@@H]1C ZINC000248566754 163014854 /nfs/dbraw/zinc/01/48/54/163014854.db2.gz PDZZJENHLZIDKG-PWNZVWSESA-N 1 0 349.431 3.345 20 5 EGBDRO O=C(CC[N@@H+]1CC[C@H]1Cc1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000337035888 163110828 /nfs/dbraw/zinc/11/08/28/163110828.db2.gz ISWXGCQGNBWFAQ-INIZCTEOSA-N 1 0 339.395 3.240 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(NCC[N@H+](C)Cc2ccc(F)cc2)c1 ZINC000338671971 163314026 /nfs/dbraw/zinc/31/40/26/163314026.db2.gz CJWWRTMTWNCQIT-UHFFFAOYSA-N 1 0 333.363 3.286 20 5 EGBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CC[NH+](C3CCC3)CC2)c1 ZINC000338996902 163420092 /nfs/dbraw/zinc/42/00/92/163420092.db2.gz KQLWEEFOLQGNQY-UHFFFAOYSA-N 1 0 343.349 3.284 20 5 EGBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1ncnc2sc([N+](=O)[O-])cc21 ZINC000341845745 163723917 /nfs/dbraw/zinc/72/39/17/163723917.db2.gz QAEPEPLNZOCGKP-IJLUTSLNSA-N 1 0 349.460 3.378 20 5 EGBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000344423331 164176176 /nfs/dbraw/zinc/17/61/76/164176176.db2.gz ITYFCXHKDDARFT-CYBMUJFWSA-N 1 0 336.436 3.454 20 5 EGBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000344579750 164191667 /nfs/dbraw/zinc/19/16/67/164191667.db2.gz BNBXWFWJSSCQNI-IXDOHACOSA-N 1 0 347.459 3.311 20 5 EGBDRO CCc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](CC)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000349886511 164968089 /nfs/dbraw/zinc/96/80/89/164968089.db2.gz WXPVXMMTARWQCW-CZUORRHYSA-N 1 0 333.432 3.102 20 5 EGBDRO CC[C@H]([NH2+]CC(=O)N1Cc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000359044952 167048011 /nfs/dbraw/zinc/04/80/11/167048011.db2.gz HUOGITGTLPLKDF-SFHVURJKSA-N 1 0 339.395 3.178 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)N2Cc3ccccc3C2)cc1[N+](=O)[O-] ZINC000359046619 167049189 /nfs/dbraw/zinc/04/91/89/167049189.db2.gz LBPIFPHCMWOUSH-AWEZNQCLSA-N 1 0 339.395 3.096 20 5 EGBDRO CCC1(CC)[C@H]([NH2+][C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1OC ZINC000359422982 167152436 /nfs/dbraw/zinc/15/24/36/167152436.db2.gz WRJLHJNHCIHHHD-APHBMKBZSA-N 1 0 349.431 3.105 20 5 EGBDRO CCCN(CC[NH+](CC)CC)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000359854565 167249667 /nfs/dbraw/zinc/24/96/67/167249667.db2.gz VXMKWWZIHIXIIY-UHFFFAOYSA-N 1 0 346.431 3.270 20 5 EGBDRO CC[C@@]1(C)CCC[N@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000362385307 167744719 /nfs/dbraw/zinc/74/47/19/167744719.db2.gz WRUCYHQDDKSUEB-SFHVURJKSA-N 1 0 349.431 3.444 20 5 EGBDRO C[C@@H]1C[C@H](Nc2ccc(Br)cc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000122261917 222047446 /nfs/dbraw/zinc/04/74/46/222047446.db2.gz XATJSGDXAADDJU-KOLCDFICSA-N 1 0 340.221 3.394 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C1CCN(c2ccccc2)CC1 ZINC000122425942 222084958 /nfs/dbraw/zinc/08/49/58/222084958.db2.gz LBZIULBWHRPPOR-UHFFFAOYSA-N 1 0 341.411 3.362 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[NH2+]C2CCN(c3ccccc3)CC2)cc1 ZINC000123241487 222241674 /nfs/dbraw/zinc/24/16/74/222241674.db2.gz MAWBJTKVYFPLPM-UHFFFAOYSA-N 1 0 325.412 3.396 20 5 EGBDRO CCCNC(=O)C1([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)CCCCC1 ZINC000154531271 264804908 /nfs/dbraw/zinc/80/49/08/264804908.db2.gz HMTNIUXJINJYDR-UHFFFAOYSA-N 1 0 333.432 3.222 20 5 EGBDRO CC[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000174835949 265074603 /nfs/dbraw/zinc/07/46/03/265074603.db2.gz GXLFGMGVPGPULG-ZWKOTPCHSA-N 1 0 328.416 3.450 20 5 EGBDRO CC(C)(CC[NH+]1CCCCCC1)NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000186800958 265555093 /nfs/dbraw/zinc/55/50/93/265555093.db2.gz PJMZNVPXFXPWRZ-UHFFFAOYSA-N 1 0 347.459 3.298 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCCc2ccc3c(c2)CCO3)cc1 ZINC000193292255 266020444 /nfs/dbraw/zinc/02/04/44/266020444.db2.gz NPGKDUWGGFAZEO-UHFFFAOYSA-N 1 0 326.396 3.295 20 5 EGBDRO C[C@@H](N[C@H](C)c1ccccn1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000194712178 266139917 /nfs/dbraw/zinc/13/99/17/266139917.db2.gz HMIKYCQYUQPCRJ-GHMZBOCLSA-N 1 0 348.790 3.321 20 5 EGBDRO [NH3+]C1(CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CCCCCC1 ZINC000237835880 266246371 /nfs/dbraw/zinc/24/63/71/266246371.db2.gz MNEQAVGHWDGTDZ-UHFFFAOYSA-N 1 0 325.796 3.030 20 5 EGBDRO C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H](CO)C(C)(C)C ZINC000269661720 266336497 /nfs/dbraw/zinc/33/64/97/266336497.db2.gz OWESYYPKXAKKLR-INIZCTEOSA-N 1 0 347.415 3.131 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CC[C@@H](c3ccc(F)cc3)C2)c1 ZINC000269673346 266339239 /nfs/dbraw/zinc/33/92/39/266339239.db2.gz VKQSKYKFBHCYLO-QAPCUYQASA-N 1 0 330.359 3.257 20 5 EGBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000270958627 266581120 /nfs/dbraw/zinc/58/11/20/266581120.db2.gz GGSLFPFCSUSTRT-LLVKDONJSA-N 1 0 339.823 3.051 20 5 EGBDRO C[NH+](C)CCCCCCCNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000273352591 267024953 /nfs/dbraw/zinc/02/49/53/267024953.db2.gz CVKLUQMTQJUUOW-UHFFFAOYSA-N 1 0 340.399 3.368 20 5 EGBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])[C@@]12CCCO2 ZINC000273547319 267056869 /nfs/dbraw/zinc/05/68/69/267056869.db2.gz CECZSVOEHGQPOY-XHSDSOJGSA-N 1 0 340.807 3.064 20 5 EGBDRO CCCC[N@H+](C)CC1CCN(C(=O)c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000278039984 267929050 /nfs/dbraw/zinc/92/90/50/267929050.db2.gz SBLWQFCWSOKRRV-UHFFFAOYSA-N 1 0 347.459 3.487 20 5 EGBDRO C[C@@H](CCc1ccc(O)cc1)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278562698 268040371 /nfs/dbraw/zinc/04/03/71/268040371.db2.gz AZSHHYOSQCPBSR-LBPRGKRZSA-N 1 0 340.383 3.288 20 5 EGBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000185442118 275215653 /nfs/dbraw/zinc/21/56/53/275215653.db2.gz DHUCDIKRIJDNGC-NUJGCVRESA-N 1 0 347.459 3.153 20 5 EGBDRO COC[C@@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@@H]1CCCO1 ZINC000278660815 275263220 /nfs/dbraw/zinc/26/32/20/275263220.db2.gz NFDOPVUULVLPAE-QAPCUYQASA-N 1 0 346.383 3.138 20 5 EGBDRO Cc1noc(CCC[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)n1 ZINC000278978477 275292973 /nfs/dbraw/zinc/29/29/73/275292973.db2.gz CUFOAAFBTFGPOZ-HNNXBMFYSA-N 1 0 330.388 3.231 20 5 EGBDRO Cc1ccc(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)c(=O)n1C ZINC000279075062 275301695 /nfs/dbraw/zinc/30/16/95/275301695.db2.gz MBVRLFPVXAERTR-KRWDZBQOSA-N 1 0 341.411 3.114 20 5 EGBDRO C[N@H+](CCCCCO)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000279168205 275309408 /nfs/dbraw/zinc/30/94/08/275309408.db2.gz BKSRAQQQKHCLBU-UHFFFAOYSA-N 1 0 335.429 3.313 20 5 EGBDRO CC[C@@H]1CCC[C@H]1[NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000279303222 275321029 /nfs/dbraw/zinc/32/10/29/275321029.db2.gz QMMIJDABRYQERK-OUCADQQQSA-N 1 0 335.404 3.099 20 5 EGBDRO CCC(=O)c1ccc(N2CC[C@@H](C[NH+](CC)CC)C2)c([N+](=O)[O-])c1 ZINC000280649733 275477509 /nfs/dbraw/zinc/47/75/09/275477509.db2.gz FJAFIRSJPIMLEO-AWEZNQCLSA-N 1 0 333.432 3.356 20 5 EGBDRO CCC[C@@H]([NH2+]C[C@H]1CCCN(C(C)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000281191726 275528879 /nfs/dbraw/zinc/52/88/79/275528879.db2.gz RJFQTYQMEGEWGW-CRAIPNDOSA-N 1 0 333.432 3.284 20 5 EGBDRO CCOc1cc(C[NH2+][C@@H]2CCCC23CCOCC3)ccc1[N+](=O)[O-] ZINC000282161304 275607628 /nfs/dbraw/zinc/60/76/28/275607628.db2.gz UHZFDBDYSXTKMN-QGZVFWFLSA-N 1 0 334.416 3.432 20 5 EGBDRO C[C@@H]([NH2+]C[C@H](C[C@H](C)O)c1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284222035 275783378 /nfs/dbraw/zinc/78/33/78/275783378.db2.gz UDOJRNFNWSPRBH-VBQJREDUSA-N 1 0 343.427 3.382 20 5 EGBDRO CCS[C@H]1CCC[C@H]1[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000286078369 275948957 /nfs/dbraw/zinc/94/89/57/275948957.db2.gz JYNPFPOQUHAIDR-KGLIPLIRSA-N 1 0 348.428 3.409 20 5 EGBDRO CCC(=O)c1ccc(N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000286262759 275972036 /nfs/dbraw/zinc/97/20/36/275972036.db2.gz GUCGGSAOXIFKFH-HIFRSBDPSA-N 1 0 331.416 3.251 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000287168477 276091731 /nfs/dbraw/zinc/09/17/31/276091731.db2.gz JIRKAJXPJYDCEB-BMFZPTHFSA-N 1 0 336.819 3.338 20 5 EGBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000287359166 276112055 /nfs/dbraw/zinc/11/20/55/276112055.db2.gz WRGWLNNEKRNFQV-SWLSCSKDSA-N 1 0 343.383 3.040 20 5 EGBDRO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@](CO)(Cc3ccc(F)cc3)C2)cc1 ZINC000288672075 276240390 /nfs/dbraw/zinc/24/03/90/276240390.db2.gz CITMAVUUXMLWOE-LJQANCHMSA-N 1 0 344.386 3.161 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H](C2CC2)C1 ZINC000289394423 276332488 /nfs/dbraw/zinc/33/24/88/276332488.db2.gz KKBMBRWUTHUKQE-AWEZNQCLSA-N 1 0 347.415 3.054 20 5 EGBDRO COc1ncccc1CC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000289593458 276363298 /nfs/dbraw/zinc/36/32/98/276363298.db2.gz BCXLHHKCYXPBCZ-KRWDZBQOSA-N 1 0 341.411 3.152 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000289788779 276394784 /nfs/dbraw/zinc/39/47/84/276394784.db2.gz MGMVOONJDMCOKD-LBPRGKRZSA-N 1 0 341.358 3.209 20 5 EGBDRO CC(C)([NH2+]C[C@@H](O)c1ccc(F)cc1F)c1ccccc1[N+](=O)[O-] ZINC000292249735 276756635 /nfs/dbraw/zinc/75/66/35/276756635.db2.gz XQIMFTPODBSWEX-MRXNPFEDSA-N 1 0 336.338 3.431 20 5 EGBDRO C[C@H]([NH2+]CCN1CCc2sccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000178648979 278259195 /nfs/dbraw/zinc/25/91/95/278259195.db2.gz DNIMXOAXEPLGPQ-ZDUSSCGKSA-N 1 0 331.441 3.365 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000376397351 280397878 /nfs/dbraw/zinc/39/78/78/280397878.db2.gz RESBUESZTWFZMW-HOCLYGCPSA-N 1 0 345.443 3.219 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)CCCc1ccccc1 ZINC000052802443 307333767 /nfs/dbraw/zinc/33/37/67/307333767.db2.gz BPNFHELXKOKFJX-UHFFFAOYSA-N 1 0 341.411 3.406 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[NH+]2CCN(c3ccc(Cl)cn3)CC2)cc1 ZINC000066868718 307363580 /nfs/dbraw/zinc/36/35/80/307363580.db2.gz IYEQYTQZVQOKLU-UHFFFAOYSA-N 1 0 346.818 3.008 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@H]1CCC[C@H](C)C1 ZINC000073620181 307387236 /nfs/dbraw/zinc/38/72/36/307387236.db2.gz XCAFXVKPLAUEOP-KBPBESRZSA-N 1 0 349.431 3.443 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000093906582 307469315 /nfs/dbraw/zinc/46/93/15/307469315.db2.gz XUTGRFZBOAIJAD-UHFFFAOYSA-N 1 0 347.459 3.372 20 5 EGBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H]2CC(C)(C)OC2(C)C)cccc1[N+](=O)[O-] ZINC000119814417 307500045 /nfs/dbraw/zinc/50/00/45/307500045.db2.gz GDPHPQYNLWYCPH-SWLSCSKDSA-N 1 0 349.431 3.166 20 5 EGBDRO COc1cc(OC)cc(OCC[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000130926154 307636256 /nfs/dbraw/zinc/63/62/56/307636256.db2.gz NYVJCSBBQPGMLC-ZDUSSCGKSA-N 1 0 346.383 3.342 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000132960228 307665311 /nfs/dbraw/zinc/66/53/11/307665311.db2.gz NRRPRLAWJFIVBN-JKSUJKDBSA-N 1 0 347.459 3.055 20 5 EGBDRO CC[C@@H]([NH2+]C[C@@H](CO)c1ccc(OC)cc1)c1cccc([N+](=O)[O-])c1 ZINC000414194475 309066022 /nfs/dbraw/zinc/06/60/22/309066022.db2.gz UUMBLZVPSPTLKA-QFBILLFUSA-N 1 0 344.411 3.420 20 5 EGBDRO CO[C@@H]1C[C@@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C12CCC2 ZINC000414194597 309066051 /nfs/dbraw/zinc/06/60/51/309066051.db2.gz ULAQWGYQYGJIAP-CGTJXYLNSA-N 1 0 330.428 3.463 20 5 EGBDRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000414242478 309068473 /nfs/dbraw/zinc/06/84/73/309068473.db2.gz HZANIJRODSKNLW-QIIPPGSGSA-N 1 0 344.415 3.240 20 5 EGBDRO CC(C)CN(C(=O)/C=C\c1cccc([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000255439711 308050748 /nfs/dbraw/zinc/05/07/48/308050748.db2.gz FRDDJVIJANKLCM-FPLPWBNLSA-N 1 0 345.443 3.187 20 5 EGBDRO Cc1cc(N2CC[C@@H](C[NH+](C)C)C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000292962456 308084691 /nfs/dbraw/zinc/08/46/91/308084691.db2.gz DAOMFMLBOORKFA-NSHDSACASA-N 1 0 331.338 3.310 20 5 EGBDRO CCOc1cc(C[N@@H+]2CCC[C@](CO)(C(C)C)C2)ccc1[N+](=O)[O-] ZINC000293058627 308095175 /nfs/dbraw/zinc/09/51/75/308095175.db2.gz NJXQEYJWUALREN-SFHVURJKSA-N 1 0 336.432 3.224 20 5 EGBDRO Cc1ccc(C[NH2+][C@H](c2cccnc2)C(C)(C)CO)cc1[N+](=O)[O-] ZINC000293574396 308143279 /nfs/dbraw/zinc/14/32/79/308143279.db2.gz HFLFJQFIUHBMEF-QGZVFWFLSA-N 1 0 329.400 3.148 20 5 EGBDRO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C[C@H]1CCC[C@H]1O ZINC000293937506 308175803 /nfs/dbraw/zinc/17/58/03/308175803.db2.gz ZKLUNAFPTNQDLJ-QMTHXVAHSA-N 1 0 332.322 3.206 20 5 EGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1(CO)C2CC3CC(C2)CC1C3 ZINC000414559545 309089271 /nfs/dbraw/zinc/08/92/71/309089271.db2.gz QAGQQQUYTQOBON-UHCBGPFTSA-N 1 0 344.455 3.303 20 5 EGBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CCC[C@H]([NH+](C)C)CC1 ZINC000295120964 308293898 /nfs/dbraw/zinc/29/38/98/308293898.db2.gz WSJJSDUDZVAHAE-ZDUSSCGKSA-N 1 0 344.415 3.072 20 5 EGBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1nccc2cc([N+](=O)[O-])ccc21 ZINC000295663822 308348305 /nfs/dbraw/zinc/34/83/05/308348305.db2.gz IPFOCKJGIIKBFW-CZUORRHYSA-N 1 0 326.400 3.206 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(CN3CC[C@@H]4C[NH2+]C[C@@H]43)s2)cc1 ZINC000414791887 309101723 /nfs/dbraw/zinc/10/17/23/309101723.db2.gz RGLPRMZQSWJXKQ-CJNGLKHVSA-N 1 0 329.425 3.117 20 5 EGBDRO [NH3+]C[C@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C1CC1 ZINC000414794886 309101746 /nfs/dbraw/zinc/10/17/46/309101746.db2.gz GBJKKSTVFSZYJW-HNNXBMFYSA-N 1 0 335.791 3.335 20 5 EGBDRO COc1cccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000298893112 308647400 /nfs/dbraw/zinc/64/74/00/308647400.db2.gz YINSFWSLHPVJKG-OLZOCXBDSA-N 1 0 343.383 3.281 20 5 EGBDRO CC[NH+](CC)[C@H]1CCN(c2cc(C)nc3c2cccc3[N+](=O)[O-])C1 ZINC000301980922 308723920 /nfs/dbraw/zinc/72/39/20/308723920.db2.gz ATDROOLZVSXQAN-AWEZNQCLSA-N 1 0 328.416 3.372 20 5 EGBDRO Cc1cc(NC(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000331395519 308805719 /nfs/dbraw/zinc/80/57/19/308805719.db2.gz MOPIDIZIXBFGPH-RHSMWYFYSA-N 1 0 346.431 3.289 20 5 EGBDRO Cc1c(NC(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000331419279 308806376 /nfs/dbraw/zinc/80/63/76/308806376.db2.gz QDECWVYBXLARAU-PBHICJAKSA-N 1 0 346.431 3.289 20 5 EGBDRO C[C@@H]1C[C@H](C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CCO1 ZINC000332153667 308828281 /nfs/dbraw/zinc/82/82/81/308828281.db2.gz WICHOJFPUSSWOO-HUUCEWRRSA-N 1 0 334.416 3.253 20 5 EGBDRO CCOc1cc(CN2CC[NH+](C3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000332451846 308837634 /nfs/dbraw/zinc/83/76/34/308837634.db2.gz MFEYXLPIUDXEEO-UHFFFAOYSA-N 1 0 333.432 3.054 20 5 EGBDRO Cc1nn(Cc2ccc(C[NH+]3CCCCC3)cc2)c(C)c1[N+](=O)[O-] ZINC000412983178 309010871 /nfs/dbraw/zinc/01/08/71/309010871.db2.gz MPVKTOORFSSDTL-UHFFFAOYSA-N 1 0 328.416 3.442 20 5 EGBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](CC3CC3)CC2)c2cccnc21 ZINC000413063745 309014204 /nfs/dbraw/zinc/01/42/04/309014204.db2.gz DQXAFNLPGLJWIC-UHFFFAOYSA-N 1 0 326.400 3.429 20 5 EGBDRO O=[N+]([O-])c1cnc(NCC2CC[NH+](Cc3ccccc3)CC2)c(F)c1 ZINC000413089378 309015592 /nfs/dbraw/zinc/01/55/92/309015592.db2.gz ZJFWAMYMILJGRZ-UHFFFAOYSA-N 1 0 344.390 3.453 20 5 EGBDRO O=[N+]([O-])c1cnc(N[C@@H]2CC[N@@H+](C3CCCC3)C2)c(C(F)(F)F)c1 ZINC000413138066 309017753 /nfs/dbraw/zinc/01/77/53/309017753.db2.gz ZPKDYFLHDMCIPM-SNVBAGLBSA-N 1 0 344.337 3.437 20 5 EGBDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1c1ncc([N+](=O)[O-])cc1F ZINC000413154277 309018537 /nfs/dbraw/zinc/01/85/37/309018537.db2.gz NHAOHVKHDMQFQN-AWEZNQCLSA-N 1 0 344.390 3.230 20 5 EGBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1nccc2ccc([N+](=O)[O-])cc21 ZINC000413280004 309024930 /nfs/dbraw/zinc/02/49/30/309024930.db2.gz JVRTZIYQARTHGW-CJNGLKHVSA-N 1 0 326.400 3.206 20 5 EGBDRO O=[N+]([O-])c1cc(CN[C@@H]2CC[NH2+]C2)ccc1Oc1ccccc1Cl ZINC000414889821 309107642 /nfs/dbraw/zinc/10/76/42/309107642.db2.gz UJDVOXOCKNTPRO-CYBMUJFWSA-N 1 0 347.802 3.492 20 5 EGBDRO [NH3+][C@@H]1CN(C/C=C/c2ccccc2[N+](=O)[O-])C[C@H]1c1cccc(F)c1 ZINC000415130768 309122772 /nfs/dbraw/zinc/12/27/72/309122772.db2.gz XQEXQWLEXXAQMI-BNESGYTRSA-N 1 0 341.386 3.174 20 5 EGBDRO CC[NH2+]CC1CCN(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000415304923 309130518 /nfs/dbraw/zinc/13/05/18/309130518.db2.gz WHKNPCOVTPQNNA-UHFFFAOYSA-N 1 0 334.420 3.065 20 5 EGBDRO CC(C)(C)[C@H](C[NH3+])NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000415429056 309133312 /nfs/dbraw/zinc/13/33/12/309133312.db2.gz ASJRPQAKEXGCTH-NSHDSACASA-N 1 0 348.325 3.109 20 5 EGBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000415983211 309152822 /nfs/dbraw/zinc/15/28/22/309152822.db2.gz ZCNQXDSLTPXPGB-UHFFFAOYSA-N 1 0 342.399 3.496 20 5 EGBDRO CN(C)c1nccc(C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)n1 ZINC000417307142 309201032 /nfs/dbraw/zinc/20/10/32/309201032.db2.gz FKAMIXXTWQVLBM-KRWDZBQOSA-N 1 0 341.415 3.008 20 5 EGBDRO Cn1cc(CCC[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)cn1 ZINC000417309511 309201070 /nfs/dbraw/zinc/20/10/70/309201070.db2.gz DZIXDHVLBIXIDI-SFHVURJKSA-N 1 0 328.416 3.318 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCCOC[C@@H]1CCOC1)CCCC2 ZINC000417318635 309201422 /nfs/dbraw/zinc/20/14/22/309201422.db2.gz ZGZHYQKTKIKJCI-HNAYVOBHSA-N 1 0 348.443 3.395 20 5 EGBDRO CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417318906 309201459 /nfs/dbraw/zinc/20/14/59/309201459.db2.gz ZQXNPBPZHIUACP-MJGOQNOKSA-N 1 0 349.475 3.309 20 5 EGBDRO Cc1ccc([C@@H](C)NC(=O)NC[C@@H]2[NH2+]CCCC2(C)C)cc1[N+](=O)[O-] ZINC000417820174 309223932 /nfs/dbraw/zinc/22/39/32/309223932.db2.gz CMRRMRWAQIQMSV-CJNGLKHVSA-N 1 0 348.447 3.042 20 5 EGBDRO COC1(C(F)(F)F)CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000419322723 309264432 /nfs/dbraw/zinc/26/44/32/309264432.db2.gz HDVZKWCVLPRTOA-UHFFFAOYSA-N 1 0 332.322 3.181 20 5 EGBDRO C[NH2+]C[C@H]1CCCN(c2cc(C)c([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000420130922 309276530 /nfs/dbraw/zinc/27/65/30/309276530.db2.gz WTBQBTTWHGCQHE-LLVKDONJSA-N 1 0 331.338 3.358 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC1CCC([NH+](C)C)CC1 ZINC000421110703 309313704 /nfs/dbraw/zinc/31/37/04/309313704.db2.gz JBNAIYWYHIRQRQ-UHFFFAOYSA-N 1 0 334.420 3.152 20 5 EGBDRO CCCN1C[C@H](C[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1=O ZINC000421349710 309319511 /nfs/dbraw/zinc/31/95/11/309319511.db2.gz JRWRSUTYJDKHTP-HNNXBMFYSA-N 1 0 333.432 3.066 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000421436814 309324573 /nfs/dbraw/zinc/32/45/73/309324573.db2.gz XEPKTQMDFUWKSQ-CABCVRRESA-N 1 0 333.432 3.204 20 5 EGBDRO CCc1ccc([C@H](NC[C@H]([NH3+])C2CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000423330364 309395502 /nfs/dbraw/zinc/39/55/02/309395502.db2.gz UFIQDFRWGNGCCQ-FUHWJXTLSA-N 1 0 329.400 3.167 20 5 EGBDRO C[C@H](N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000423423703 309399963 /nfs/dbraw/zinc/39/99/63/309399963.db2.gz DVNQWILHJKSXQG-JCKZUZKGSA-N 1 0 329.425 3.192 20 5 EGBDRO CC(C)c1ccc(C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000423645810 309408802 /nfs/dbraw/zinc/40/88/02/309408802.db2.gz SRURLZGYMPBUKM-MRXNPFEDSA-N 1 0 345.443 3.180 20 5 EGBDRO CO[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425437150 309480253 /nfs/dbraw/zinc/48/02/53/309480253.db2.gz XVJQXVUOBVSZSI-JSGCOSHPSA-N 1 0 343.221 3.405 20 5 EGBDRO COC[C@H]([NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)[C@H]1CCCO1 ZINC000433007938 309675398 /nfs/dbraw/zinc/67/53/98/309675398.db2.gz WXUHVQWLNZQTMM-YESZJQIVSA-N 1 0 334.416 3.101 20 5 EGBDRO COc1ccc(-c2ccc(C[NH2+]CCC[C@@H](C)O)o2)c([N+](=O)[O-])c1 ZINC000433172063 309680434 /nfs/dbraw/zinc/68/04/34/309680434.db2.gz BYAJWHAGNILEMV-GFCCVEGCSA-N 1 0 334.372 3.114 20 5 EGBDRO CC(C)(C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)N1CCOCC1 ZINC000433168541 309680443 /nfs/dbraw/zinc/68/04/43/309680443.db2.gz NJSUZWDZEOMXND-QGZVFWFLSA-N 1 0 347.459 3.018 20 5 EGBDRO CC(C)(C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)N1CCCCC1 ZINC000447512057 309980370 /nfs/dbraw/zinc/98/03/70/309980370.db2.gz OFZVBBHWCZELHU-HOTGVXAUSA-N 1 0 349.479 3.129 20 5 EGBDRO CCOc1cccc(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000447526428 309980823 /nfs/dbraw/zinc/98/08/23/309980823.db2.gz BKRHCINAUINPSS-DLBZAZTESA-N 1 0 344.415 3.464 20 5 EGBDRO CO[C@H](C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000447564656 309982390 /nfs/dbraw/zinc/98/23/90/309982390.db2.gz YMIBQKMQSFPMRD-BRWVUGGUSA-N 1 0 344.415 3.252 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(OCCO)cc1)CCC2 ZINC000447578196 309982934 /nfs/dbraw/zinc/98/29/34/309982934.db2.gz DHGAVBAYVGDZOT-IBGZPJMESA-N 1 0 342.395 3.133 20 5 EGBDRO Cc1cnc([C@H](C)C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)s1 ZINC000447607461 309984306 /nfs/dbraw/zinc/98/43/06/309984306.db2.gz SJMWRLLUTXHLQP-KWCYVHTRSA-N 1 0 349.460 3.433 20 5 EGBDRO COCC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])[C@H]1CCCSC1 ZINC000448375627 310003378 /nfs/dbraw/zinc/00/33/78/310003378.db2.gz UTVOLTYUQHLXCE-OUOZUETKSA-N 1 0 336.457 3.452 20 5 EGBDRO CC[N@H+](CCNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])C(C)C ZINC000448979238 310026695 /nfs/dbraw/zinc/02/66/95/310026695.db2.gz HCSOYFUFGZYIJR-UHFFFAOYSA-N 1 0 347.337 3.074 20 5 EGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1Cc2ccccc2N(C)C1 ZINC000449265441 310048595 /nfs/dbraw/zinc/04/85/95/310048595.db2.gz QFPZTIQVMAAPJK-JKSUJKDBSA-N 1 0 339.439 3.424 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[N@@H+](C2CC2)C[C@@H](C)C1 ZINC000449344693 310055230 /nfs/dbraw/zinc/05/52/30/310055230.db2.gz DIUWMRJTJBJWIO-KMPOOHAWSA-N 1 0 329.444 3.414 20 5 EGBDRO Cc1csc(C[NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000449481113 310065698 /nfs/dbraw/zinc/06/56/98/310065698.db2.gz QYMPNDMMATWSRT-LBPRGKRZSA-N 1 0 333.413 3.472 20 5 EGBDRO COC(=O)c1cc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c[nH]1 ZINC000449504393 310067497 /nfs/dbraw/zinc/06/74/97/310067497.db2.gz VZBZYGBUYUNNGR-OAHLLOKOSA-N 1 0 343.383 3.089 20 5 EGBDRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000449643143 310076948 /nfs/dbraw/zinc/07/69/48/310076948.db2.gz YPLVDPJFFIYXBQ-ZYHUDNBSSA-N 1 0 333.413 3.057 20 5 EGBDRO CC(C)(C)O[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)[C@@H]1n1cccn1 ZINC000449656673 310078067 /nfs/dbraw/zinc/07/80/67/310078067.db2.gz LWFABHMQKIJBBA-BBWFWOEESA-N 1 0 344.415 3.078 20 5 EGBDRO CC(C)(C)O[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)[C@@H]1n1cccn1 ZINC000449656676 310078128 /nfs/dbraw/zinc/07/81/28/310078128.db2.gz LWFABHMQKIJBBA-ZACQAIPSSA-N 1 0 344.415 3.078 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC(C)(C)C1(O)CCCC1 ZINC000449734714 310083239 /nfs/dbraw/zinc/08/32/39/310083239.db2.gz CQIUDLZALLQKAG-UHFFFAOYSA-N 1 0 336.432 3.414 20 5 EGBDRO C[C@H]1CN(c2nccc3c2cccc3[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000450548787 310129511 /nfs/dbraw/zinc/12/95/11/310129511.db2.gz UJRITPNOUFIDQD-CYBMUJFWSA-N 1 0 326.400 3.064 20 5 EGBDRO Cc1cc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c2cccc([N+](=O)[O-])c2n1 ZINC000450827208 310144529 /nfs/dbraw/zinc/14/45/29/310144529.db2.gz JJALWONJXNIGLJ-AGUYFDCRSA-N 1 0 326.400 3.489 20 5 EGBDRO C[C@H]([NH2+]CC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000451098204 310160339 /nfs/dbraw/zinc/16/03/39/310160339.db2.gz GXGASWIYYXZTPI-VWPFQQQWSA-N 1 0 333.432 3.186 20 5 EGBDRO Cc1ccc(OC[C@@H](O)C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000451099580 310160575 /nfs/dbraw/zinc/16/05/75/310160575.db2.gz MMEIUSJJHLOSRT-YJBOKZPZSA-N 1 0 344.411 3.302 20 5 EGBDRO C[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000451100431 310160612 /nfs/dbraw/zinc/16/06/12/310160612.db2.gz TXLRNKUEWFIQDR-WSMBLCCSSA-N 1 0 333.432 3.329 20 5 EGBDRO COc1ccc(C)cc1NC(=O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000451108575 310161019 /nfs/dbraw/zinc/16/10/19/310161019.db2.gz WYPYKGVYWWEYMU-ZDUSSCGKSA-N 1 0 343.383 3.201 20 5 EGBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H](c2ccc(F)c(Cl)c2)C2CC2)c1 ZINC000451349828 310173555 /nfs/dbraw/zinc/17/35/55/310173555.db2.gz BWSGSWGQNAIYHJ-HNNXBMFYSA-N 1 0 338.770 3.325 20 5 EGBDRO COc1ncccc1C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451544102 310184512 /nfs/dbraw/zinc/18/45/12/310184512.db2.gz DRUBRMWTJOYJGV-OAHLLOKOSA-N 1 0 327.384 3.378 20 5 EGBDRO CCN(CC)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451543484 310184609 /nfs/dbraw/zinc/18/46/09/310184609.db2.gz BZAKDBYETDFSLM-GOEBONIOSA-N 1 0 333.432 3.031 20 5 EGBDRO Cc1noc(CCC[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000451548805 310185223 /nfs/dbraw/zinc/18/52/23/310185223.db2.gz OLWUROYFZVKHCW-OAHLLOKOSA-N 1 0 330.388 3.098 20 5 EGBDRO O=C(CC[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)NC1CCCC1 ZINC000451550035 310185509 /nfs/dbraw/zinc/18/55/09/310185509.db2.gz QOMPEACTYKYNEQ-INIZCTEOSA-N 1 0 345.443 3.223 20 5 EGBDRO Cc1cccnc1CCC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000453310045 310270445 /nfs/dbraw/zinc/27/04/45/310270445.db2.gz QNVJJKLBSDSCBN-SJORKVTESA-N 1 0 343.431 3.201 20 5 EGBDRO Cc1cnc(CC[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cn1 ZINC000453408761 310275612 /nfs/dbraw/zinc/27/56/12/310275612.db2.gz TUESKCYIAWRNBU-QGZVFWFLSA-N 1 0 326.400 3.248 20 5 EGBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1CCOC(C)(C)C1 ZINC000453445289 310277540 /nfs/dbraw/zinc/27/75/40/310277540.db2.gz YHPRNTSGWUARCN-KGLIPLIRSA-N 1 0 349.431 3.107 20 5 EGBDRO C[C@H](NC(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000454261495 310300002 /nfs/dbraw/zinc/30/00/02/310300002.db2.gz RDHZHCRVLKXXPA-KKUMJFAQSA-N 1 0 348.447 3.218 20 5 EGBDRO C[NH+](C)CCCC(C)(C)NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000456168881 310391693 /nfs/dbraw/zinc/39/16/93/310391693.db2.gz LVWCOQCZEPEXTH-UHFFFAOYSA-N 1 0 341.839 3.027 20 5 EGBDRO C[C@H]1CCCC[C@@]1(C)[NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000459616808 310564452 /nfs/dbraw/zinc/56/44/52/310564452.db2.gz QHNRMYBVIWYXEM-SCLBCKFNSA-N 1 0 347.415 3.451 20 5 EGBDRO Cc1ccc(C[NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)nc1C ZINC000459655693 310566594 /nfs/dbraw/zinc/56/65/94/310566594.db2.gz AMXQGQSRUZJCME-CYBMUJFWSA-N 1 0 342.399 3.114 20 5 EGBDRO CC[C@@H]1OCC[C@H]1[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000459747646 310572643 /nfs/dbraw/zinc/57/26/43/310572643.db2.gz WIAXIFUQGJECKP-CABCVRRESA-N 1 0 333.413 3.375 20 5 EGBDRO C[N@@H+]1CC[C@@]2(CCN(c3c(Cl)cc(Cl)cc3[N+](=O)[O-])C2)C1 ZINC000488773376 311079385 /nfs/dbraw/zinc/07/93/85/311079385.db2.gz GCRKWXJDWAZYMJ-CQSZACIVSA-N 1 0 330.215 3.434 20 5 EGBDRO C[C@@H]1CN(c2nc3ccccc3cc2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000488769201 311079400 /nfs/dbraw/zinc/07/94/00/311079400.db2.gz YNZQLQFSUFWMFL-AWEZNQCLSA-N 1 0 340.427 3.454 20 5 EGBDRO CCN(CCC[NH+]1CCCC1)C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000492034153 311210897 /nfs/dbraw/zinc/21/08/97/311210897.db2.gz SSRCEHDHPGZXBZ-VQHVLOKHSA-N 1 0 349.406 3.082 20 5 EGBDRO CN(C(=O)Cc1cccc([N+](=O)[O-])c1)C(C)(C)C[NH+]1CCCCCC1 ZINC000494081025 311455170 /nfs/dbraw/zinc/45/51/70/311455170.db2.gz WZDBHGVVWGBIAP-UHFFFAOYSA-N 1 0 347.459 3.250 20 5 EGBDRO CN(c1ccccc1)c1ccc(C[N@@H+]2CCC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000505903067 312039194 /nfs/dbraw/zinc/03/91/94/312039194.db2.gz MPCQDHQVNXFIIS-QGZVFWFLSA-N 1 0 341.411 3.319 20 5 EGBDRO COc1ccc(C[NH2+][C@@H]2CCc3ccccc3OC2)cc1[N+](=O)[O-] ZINC000509444881 312117239 /nfs/dbraw/zinc/11/72/39/312117239.db2.gz WRKYLIYVVAIHEV-OAHLLOKOSA-N 1 0 328.368 3.087 20 5 EGBDRO C[N@H+](CCC(=O)NCC1CCCCC1)CCc1ccccc1[N+](=O)[O-] ZINC000511096150 312154608 /nfs/dbraw/zinc/15/46/08/312154608.db2.gz ZBSJKJGMLHMSII-UHFFFAOYSA-N 1 0 347.459 3.156 20 5 EGBDRO C[NH+](C)CC1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000514189849 312227088 /nfs/dbraw/zinc/22/70/88/312227088.db2.gz LCVSILYRSIZBRO-UHFFFAOYSA-N 1 0 331.338 3.392 20 5 EGBDRO O=[N+]([O-])c1cnn(CCS[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000517741464 312391401 /nfs/dbraw/zinc/39/14/01/312391401.db2.gz POOBREQNJDSCHD-KRWDZBQOSA-N 1 0 346.456 3.189 20 5 EGBDRO CCC[NH+](CCC)CCCNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000524406308 312658187 /nfs/dbraw/zinc/65/81/87/312658187.db2.gz XHGADZGDEKVRTQ-UHFFFAOYSA-N 1 0 346.431 3.318 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(NC[C@@H](c2ccc(F)cc2)[NH+](C)C)c1 ZINC000525193411 312703582 /nfs/dbraw/zinc/70/35/82/312703582.db2.gz NVEADXQVGQDNRB-KRWDZBQOSA-N 1 0 333.363 3.457 20 5 EGBDRO COCCOc1ccc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cn1 ZINC000531682045 313700282 /nfs/dbraw/zinc/70/02/82/313700282.db2.gz TXLSVROEQAIACL-CQSZACIVSA-N 1 0 345.399 3.174 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCC[C@H](C(=O)N(C)C)C1 ZINC000531967168 313737504 /nfs/dbraw/zinc/73/75/04/313737504.db2.gz CNKBDQDZLRMJCY-SOUVJXGZSA-N 1 0 333.432 3.201 20 5 EGBDRO CO[C@]1(C)C[C@@H]([NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000532530526 313811849 /nfs/dbraw/zinc/81/18/49/313811849.db2.gz YZQRZMJJFUEOHI-CDHAZOANSA-N 1 0 349.431 3.105 20 5 EGBDRO C[N@H+](CC1CC1)C[C@H]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000536697831 314140175 /nfs/dbraw/zinc/14/01/75/314140175.db2.gz RRYJCBPKVOWXHL-UKINESCASA-N 1 0 329.444 3.272 20 5 EGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCc2n[nH]cc2C1 ZINC000539064140 314293940 /nfs/dbraw/zinc/29/39/40/314293940.db2.gz DHEMFXLDWCIOEW-KGLIPLIRSA-N 1 0 346.456 3.336 20 5 EGBDRO COc1ccc(C[C@@](C)([NH3+])CNc2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC000540031809 314358619 /nfs/dbraw/zinc/35/86/19/314358619.db2.gz CSOOKGIRTZPGCC-GOSISDBHSA-N 1 0 329.400 3.284 20 5 EGBDRO COc1ccc(OCC[NH2+]C2(c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000540353691 314376487 /nfs/dbraw/zinc/37/64/87/314376487.db2.gz CYNWXCVELYSMPK-UHFFFAOYSA-N 1 0 328.368 3.261 20 5 EGBDRO CC(C)c1ccc(C[NH2+]C[C@H](CO)Cc2ccco2)cc1[N+](=O)[O-] ZINC000540619478 314392988 /nfs/dbraw/zinc/39/29/88/314392988.db2.gz ALABSEZBZMAXKM-OAHLLOKOSA-N 1 0 332.400 3.252 20 5 EGBDRO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)[C@]12CCCO2 ZINC000546163589 314814533 /nfs/dbraw/zinc/81/45/33/314814533.db2.gz MQPBWYWAHMZDNM-VIBAHUMZSA-N 1 0 334.416 3.280 20 5 EGBDRO Cc1cccc(C)c1[C@@H](C)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000546932997 314866627 /nfs/dbraw/zinc/86/66/27/314866627.db2.gz WETNYSQXMXGPPS-HZPDHXFCSA-N 1 0 344.411 3.302 20 5 EGBDRO Cc1cc(N2CC[C@H]([NH+]3CC=CC3)C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000549142234 315077786 /nfs/dbraw/zinc/07/77/86/315077786.db2.gz GUADJQQRGHAPQH-LBPRGKRZSA-N 1 0 341.333 3.373 20 5 EGBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000551547985 315158360 /nfs/dbraw/zinc/15/83/60/315158360.db2.gz GNFRMKHGSVUVQN-HNNXBMFYSA-N 1 0 347.459 3.063 20 5 EGBDRO COC(=O)[C@H](Cc1ccccc1)[C@@H](C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000551720062 315165351 /nfs/dbraw/zinc/16/53/51/315165351.db2.gz ORZQKRXZBLXWTI-RHSMWYFYSA-N 1 0 342.395 3.105 20 5 EGBDRO COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000551721003 315165391 /nfs/dbraw/zinc/16/53/91/315165391.db2.gz KRPXZZUGNQNUAX-KDOFPFPSSA-N 1 0 342.395 3.105 20 5 EGBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC1CC[NH+](CC(C)C)CC1 ZINC000557517411 315515252 /nfs/dbraw/zinc/51/52/52/315515252.db2.gz DBFUAFKSLFTVNG-UHFFFAOYSA-N 1 0 349.431 3.222 20 5 EGBDRO C[C@H](C(=O)NCc1cccc(C[NH+](C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000562390279 315827621 /nfs/dbraw/zinc/82/76/21/315827621.db2.gz OICJUBJKANKMRO-AWEZNQCLSA-N 1 0 341.411 3.076 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC([C@@H]2NC(=O)C2(C)C)CC1 ZINC000562477679 315839528 /nfs/dbraw/zinc/83/95/28/315839528.db2.gz NFQSMPZVTFZHQX-DYVFJYSZSA-N 1 0 345.443 3.201 20 5 EGBDRO COCC[C@H](Cc1ccco1)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000564226490 316126098 /nfs/dbraw/zinc/12/60/98/316126098.db2.gz YSZDAUFTFBHHMK-CXAGYDPISA-N 1 0 330.384 3.413 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000564444102 316153046 /nfs/dbraw/zinc/15/30/46/316153046.db2.gz VBHHCPIICCCPDO-MRXNPFEDSA-N 1 0 348.447 3.399 20 5 EGBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CC[N@@H+](C3CC3)C2)c(OC(F)F)c1 ZINC000565569585 316340740 /nfs/dbraw/zinc/34/07/40/316340740.db2.gz LIXZCFMZINMZNK-JTQLQIEISA-N 1 0 327.331 3.092 20 5 EGBDRO CCOc1cc(C[NH2+][C@H](CO)c2ccccc2C)ccc1[N+](=O)[O-] ZINC000570774137 317104928 /nfs/dbraw/zinc/10/49/28/317104928.db2.gz JGKYCNHPUFIWNB-MRXNPFEDSA-N 1 0 330.384 3.125 20 5 EGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCOCC(F)(F)C(F)F ZINC000570863982 317117880 /nfs/dbraw/zinc/11/78/80/317117880.db2.gz NNKSTKMXCMOPQR-LLVKDONJSA-N 1 0 336.285 3.089 20 5 EGBDRO CCOC(=O)[C@@]1(C(C)C)CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000571030505 317141709 /nfs/dbraw/zinc/14/17/09/317141709.db2.gz PEFYJZCCJXESON-SFHVURJKSA-N 1 0 334.416 3.049 20 5 EGBDRO C[NH+](C)CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(C)(C)C ZINC000116128384 455043398 /nfs/dbraw/zinc/04/33/98/455043398.db2.gz KAIGEULXZYCHIO-AWEZNQCLSA-N 1 0 341.839 3.344 20 5 EGBDRO CC(C)[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000023677985 323213557 /nfs/dbraw/zinc/21/35/57/323213557.db2.gz XNRYITIAGLVBBN-MJGOQNOKSA-N 1 0 344.411 3.321 20 5 EGBDRO CC(C)([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000180861364 323460034 /nfs/dbraw/zinc/46/00/34/323460034.db2.gz JPQZQYYFUMKCKR-UHFFFAOYSA-N 1 0 349.337 3.336 20 5 EGBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@H](Cc2ccccc2)c2cccs2)n1 ZINC000184973134 323684292 /nfs/dbraw/zinc/68/42/92/323684292.db2.gz KUPTYZRZKHBQBJ-OAHLLOKOSA-N 1 0 342.424 3.426 20 5 EGBDRO COc1ccc(NC(=O)CC[NH2+][C@H]2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000192800469 323826348 /nfs/dbraw/zinc/82/63/48/323826348.db2.gz XSCHOTXCKWQFQN-OCCSQVGLSA-N 1 0 335.404 3.100 20 5 EGBDRO C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000381711560 324247512 /nfs/dbraw/zinc/24/75/12/324247512.db2.gz IOCYPQDDEFXODP-VHSXEESVSA-N 1 0 329.422 3.048 20 5 EGBDRO CC(C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000578316061 324951387 /nfs/dbraw/zinc/95/13/87/324951387.db2.gz LRCOLBQNEUGYSK-BZUAXINKSA-N 1 0 336.432 3.139 20 5 EGBDRO C[C@H](CC1CCCCC1)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000578641013 324998007 /nfs/dbraw/zinc/99/80/07/324998007.db2.gz GPBULJWUZRJMIE-GDBMZVCRSA-N 1 0 336.432 3.283 20 5 EGBDRO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2cnc(-c3ccco3)s2)cc1 ZINC000578711490 325005846 /nfs/dbraw/zinc/00/58/46/325005846.db2.gz XNVLTMITWPPLFU-UHFFFAOYSA-N 1 0 345.380 3.480 20 5 EGBDRO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2nc(-c3ccccc3)c[nH]2)cc1 ZINC000580519988 325260518 /nfs/dbraw/zinc/26/05/18/325260518.db2.gz GRFVOQKRWRQLBO-UHFFFAOYSA-N 1 0 338.367 3.154 20 5 EGBDRO C[C@H]([NH2+][C@@H]1CCC[C@@H](N2CCCC2=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000580659469 325280124 /nfs/dbraw/zinc/28/01/24/325280124.db2.gz JHKKCJOTSNHYCF-NUEKZKHPSA-N 1 0 331.416 3.179 20 5 EGBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)c1 ZINC000580803169 325297071 /nfs/dbraw/zinc/29/70/71/325297071.db2.gz KLACXARBCXPXAX-IAGOWNOFSA-N 1 0 332.400 3.007 20 5 EGBDRO Cc1cc(N2CC(n3ccnc3)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000580867045 325302519 /nfs/dbraw/zinc/30/25/19/325302519.db2.gz RBTCIZOPIDXGEL-UHFFFAOYSA-N 1 0 326.278 3.180 20 5 EGBDRO C[C@@H](C(=O)NC[C@@H](c1ccsc1)[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000583418175 325521647 /nfs/dbraw/zinc/52/16/47/325521647.db2.gz PKSLQVJKGYRREN-WBMJQRKESA-N 1 0 347.440 3.179 20 5 EGBDRO CC[C@@H]([NH2+]CCc1cccc(C(=O)NC)c1)c1cccc([N+](=O)[O-])c1 ZINC000157880844 455243395 /nfs/dbraw/zinc/24/33/95/455243395.db2.gz MFFGMFZDIFUKFS-GOSISDBHSA-N 1 0 341.411 3.238 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@H]3CCC[C@H]3CCO)o2)c1 ZINC000189978057 455264894 /nfs/dbraw/zinc/26/48/94/455264894.db2.gz GGFKJNWOOINKKU-GUYCJALGSA-N 1 0 330.384 3.496 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000600722895 460580742 /nfs/dbraw/zinc/58/07/42/460580742.db2.gz RNYFTDPWZIDKFU-ZOWXZIJZSA-N 1 0 345.365 3.423 20 5 EGBDRO CC[NH+](CC)Cc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000007828364 453121339 /nfs/dbraw/zinc/12/13/39/453121339.db2.gz PUBFQEUQDATZJS-UHFFFAOYSA-N 1 0 341.411 3.367 20 5 EGBDRO CC[NH+](CC)Cc1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000015617219 453579904 /nfs/dbraw/zinc/57/99/04/453579904.db2.gz DOENWGIIMVLKBQ-UHFFFAOYSA-N 1 0 341.411 3.367 20 5 EGBDRO CC[C@@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(C)cc1 ZINC000026712699 453804217 /nfs/dbraw/zinc/80/42/17/453804217.db2.gz GEVSJNSBJNCCTL-PKOBYXMFSA-N 1 0 344.411 3.384 20 5 EGBDRO Cc1c(C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)cccc1[N+](=O)[O-] ZINC000052926545 453849447 /nfs/dbraw/zinc/84/94/47/453849447.db2.gz MRPHCFCZPALVOB-UHFFFAOYSA-N 1 0 349.431 3.392 20 5 EGBDRO CC[NH+](CC)CCOC1CCN(c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000075063854 453857314 /nfs/dbraw/zinc/85/73/14/453857314.db2.gz DOAPYTNZNMARDY-UHFFFAOYSA-N 1 0 335.448 3.230 20 5 EGBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000081335058 453862462 /nfs/dbraw/zinc/86/24/62/453862462.db2.gz OUHKKEWAZJYZTR-GFCCVEGCSA-N 1 0 339.823 3.052 20 5 EGBDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000053304727 453870531 /nfs/dbraw/zinc/87/05/31/453870531.db2.gz JBYNZGKWVSZRJP-TXEJJXNPSA-N 1 0 339.461 3.143 20 5 EGBDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000081534789 453884011 /nfs/dbraw/zinc/88/40/11/453884011.db2.gz HVEOAEXWUOWORP-MRXNPFEDSA-N 1 0 343.402 3.440 20 5 EGBDRO C[C@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000067273480 453916788 /nfs/dbraw/zinc/91/67/88/453916788.db2.gz VRCPMVIUQWEXGJ-GFCCVEGCSA-N 1 0 339.823 3.098 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000075955290 453941477 /nfs/dbraw/zinc/94/14/77/453941477.db2.gz IEDYZEWXUBGTEG-KRWDZBQOSA-N 1 0 342.399 3.328 20 5 EGBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083221341 453944533 /nfs/dbraw/zinc/94/45/33/453944533.db2.gz WOEXDTBQPOSOQD-ZDUSSCGKSA-N 1 0 332.404 3.042 20 5 EGBDRO Cc1cc(C(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000039563970 453945234 /nfs/dbraw/zinc/94/52/34/453945234.db2.gz FGUSNKYEKVMZPL-UHFFFAOYSA-N 1 0 333.432 3.096 20 5 EGBDRO CCC(CC)[C@@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1C)[NH+](C)C ZINC000076331510 453989453 /nfs/dbraw/zinc/98/94/53/453989453.db2.gz MGVNJEDLVSEPQA-MRXNPFEDSA-N 1 0 336.436 3.391 20 5 EGBDRO O=C(C[N@@H+]1CCC[C@H]2CCCC[C@@H]21)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000084490311 453991325 /nfs/dbraw/zinc/99/13/25/453991325.db2.gz QPSBPVWORKUNRA-PBHICJAKSA-N 1 0 343.427 3.139 20 5 EGBDRO COc1ccccc1[C@@H](CNc1ccc([N+](=O)[O-])cc1F)[NH+](C)C ZINC000042096677 453993642 /nfs/dbraw/zinc/99/36/42/453993642.db2.gz WDXHEABCXUEYTR-MRXNPFEDSA-N 1 0 333.363 3.457 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000076756518 454033789 /nfs/dbraw/zinc/03/37/89/454033789.db2.gz RKLMDBREXMKMHN-INIZCTEOSA-N 1 0 327.384 3.290 20 5 EGBDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNc2c([N+](=O)[O-])ncn2C)cc1 ZINC000076772010 454035107 /nfs/dbraw/zinc/03/51/07/454035107.db2.gz WCGNSDMJIRHTDX-AWEZNQCLSA-N 1 0 343.431 3.315 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+]CCc2nc(-c3ccccn3)cs2)cc1 ZINC000076894631 454046115 /nfs/dbraw/zinc/04/61/15/454046115.db2.gz BLUFSAPOOJXXGD-UHFFFAOYSA-N 1 0 340.408 3.446 20 5 EGBDRO CCc1ccc([C@@H](CNC(=O)c2csc([N+](=O)[O-])c2)[NH+](C)C)cc1 ZINC000044314608 454096498 /nfs/dbraw/zinc/09/64/98/454096498.db2.gz PVZISGWHYANFLR-OAHLLOKOSA-N 1 0 347.440 3.251 20 5 EGBDRO CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000077383311 454099999 /nfs/dbraw/zinc/09/99/99/454099999.db2.gz FLRFMCLLNVZADT-UHFFFAOYSA-N 1 0 341.411 3.319 20 5 EGBDRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000057156461 454107267 /nfs/dbraw/zinc/10/72/67/454107267.db2.gz AAXMFBNCINGPJH-LBPRGKRZSA-N 1 0 341.839 3.489 20 5 EGBDRO CCC[C@H]([NH2+]CCc1cccc(C(N)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000089545156 454161074 /nfs/dbraw/zinc/16/10/74/454161074.db2.gz BRYBUJVWAXPNDJ-SFHVURJKSA-N 1 0 341.411 3.367 20 5 EGBDRO Cc1ccc(C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000058191508 454169742 /nfs/dbraw/zinc/16/97/42/454169742.db2.gz LMZBVLXAPAYMBG-QGZVFWFLSA-N 1 0 333.432 3.144 20 5 EGBDRO CCc1nn(C)c(NC[C@@H](c2ccccc2)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000094131890 454188246 /nfs/dbraw/zinc/18/82/46/454188246.db2.gz GMOGCEVSOFCONW-INIZCTEOSA-N 1 0 343.431 3.140 20 5 EGBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[NH+]1CCCCCC1 ZINC000184681442 455427379 /nfs/dbraw/zinc/42/73/79/455427379.db2.gz DRIODKIUBHBOGL-QGZVFWFLSA-N 1 0 347.459 3.156 20 5 EGBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@H]2CC(C)(C)OC2(C)C)cccc1[N+](=O)[O-] ZINC000119814757 454223414 /nfs/dbraw/zinc/22/34/14/454223414.db2.gz GDPHPQYNLWYCPH-WFASDCNBSA-N 1 0 349.431 3.166 20 5 EGBDRO Cc1ccc([C@@H](C)NC2CC[NH+](C[C@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000095968179 454242488 /nfs/dbraw/zinc/24/24/88/454242488.db2.gz ZKQWYMXVXYADSG-HZPDHXFCSA-N 1 0 347.459 3.055 20 5 EGBDRO C[NH+](C)[C@H](CNc1nc2sccn2c1[N+](=O)[O-])C1CCCCC1 ZINC000059387623 454258059 /nfs/dbraw/zinc/25/80/59/454258059.db2.gz MMJDIDDMHUDZNM-GFCCVEGCSA-N 1 0 337.449 3.226 20 5 EGBDRO C[NH+](C)[C@@H](CNc1nc2sccn2c1[N+](=O)[O-])C1CCCCC1 ZINC000059387622 454258473 /nfs/dbraw/zinc/25/84/73/454258473.db2.gz MMJDIDDMHUDZNM-LBPRGKRZSA-N 1 0 337.449 3.226 20 5 EGBDRO Cc1ccc(C(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000059982525 454265913 /nfs/dbraw/zinc/26/59/13/454265913.db2.gz ZBZOSGSGIOEVSI-OKILXGFUSA-N 1 0 347.459 3.390 20 5 EGBDRO CCC[C@@H]([NH2+]CCCNC(=O)C1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000090183800 454292126 /nfs/dbraw/zinc/29/21/26/454292126.db2.gz FIFRJPDKFZKADV-QGZVFWFLSA-N 1 0 333.432 3.332 20 5 EGBDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000078800788 454320735 /nfs/dbraw/zinc/32/07/35/454320735.db2.gz DTTDUHWZNQFSJH-LLVKDONJSA-N 1 0 340.811 3.054 20 5 EGBDRO CC(C)(C)[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccc(F)cc1 ZINC000090553271 454320982 /nfs/dbraw/zinc/32/09/82/454320982.db2.gz OPQIJWUISHVDLB-QGZVFWFLSA-N 1 0 347.390 3.273 20 5 EGBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@@H](c1ccc(F)cc1)C1CCC1 ZINC000090554087 454321537 /nfs/dbraw/zinc/32/15/37/454321537.db2.gz CMXGZMYFHJANBV-GOSISDBHSA-N 1 0 345.374 3.027 20 5 EGBDRO Cc1c(C(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000047038659 454323387 /nfs/dbraw/zinc/32/33/87/454323387.db2.gz XZJPFIKVIQHFJZ-HUUCEWRRSA-N 1 0 347.459 3.391 20 5 EGBDRO Cc1c(NC(=O)CC[NH+]2C[C@@H](C)S[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000072769750 454337603 /nfs/dbraw/zinc/33/76/03/454337603.db2.gz ZWDFJISDBFEXGW-VXGBXAGGSA-N 1 0 337.445 3.058 20 5 EGBDRO Cc1cc(C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000047187792 454337958 /nfs/dbraw/zinc/33/79/58/454337958.db2.gz FRSKKLGQBPYRHG-CQSZACIVSA-N 1 0 333.432 3.145 20 5 EGBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCN(c3ccccn3)C2)cccc1[N+](=O)[O-] ZINC000090801578 454341541 /nfs/dbraw/zinc/34/15/41/454341541.db2.gz NTUFUASFEQEMFR-LSDHHAIUSA-N 1 0 326.400 3.228 20 5 EGBDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000047287038 454353758 /nfs/dbraw/zinc/35/37/58/454353758.db2.gz UYFYRJDIJOXEKB-ZIAGYGMSSA-N 1 0 345.424 3.166 20 5 EGBDRO CC(C)[N@H+](C)CC1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000048050763 454435785 /nfs/dbraw/zinc/43/57/85/454435785.db2.gz YYMHEJFLAVOSAP-UHFFFAOYSA-N 1 0 334.420 3.179 20 5 EGBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2cn(C)nc2CC)cc1[N+](=O)[O-] ZINC000091742165 454465796 /nfs/dbraw/zinc/46/57/96/454465796.db2.gz LRZOZWQCCIPUEQ-GFCCVEGCSA-N 1 0 332.404 3.140 20 5 EGBDRO O=[N+]([O-])c1ccccc1OCCN1CC[NH+](CC2CCCCC2)CC1 ZINC000064130208 454466723 /nfs/dbraw/zinc/46/67/23/454466723.db2.gz QAMCCAVDKVDRKX-UHFFFAOYSA-N 1 0 347.459 3.172 20 5 EGBDRO COc1ccc(-c2ccc(C[NH2+]C[C@@H]3CCCO3)o2)c([N+](=O)[O-])c1 ZINC000102419579 454504108 /nfs/dbraw/zinc/50/41/08/454504108.db2.gz GKRDHIGZGVGMDT-ZDUSSCGKSA-N 1 0 332.356 3.132 20 5 EGBDRO CC[N@H+](CCNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C(C)C ZINC000102436445 454504965 /nfs/dbraw/zinc/50/49/65/454504965.db2.gz KWDFELPEFUNOOZ-UHFFFAOYSA-N 1 0 328.800 3.100 20 5 EGBDRO Cc1c(CC(=O)NCCCCC[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000122298557 454521152 /nfs/dbraw/zinc/52/11/52/454521152.db2.gz NQIZONWWEVZUKT-UHFFFAOYSA-N 1 0 347.459 3.218 20 5 EGBDRO Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H]2C2CCC2)cccc1[N+](=O)[O-] ZINC000102926948 454526370 /nfs/dbraw/zinc/52/63/70/454526370.db2.gz DKRAARPUSDSMTF-QGZVFWFLSA-N 1 0 331.416 3.496 20 5 EGBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000182198418 455459017 /nfs/dbraw/zinc/45/90/17/455459017.db2.gz RNPBVMHWPARIKI-UKRRQHHQSA-N 1 0 348.424 3.233 20 5 EGBDRO O=[N+]([O-])c1ccc(OCC[N@@H+](Cc2ccco2)C[C@@H]2CCCO2)cc1 ZINC000065536469 454587742 /nfs/dbraw/zinc/58/77/42/454587742.db2.gz JXDICYNQVKWRBI-SFHVURJKSA-N 1 0 346.383 3.248 20 5 EGBDRO Cc1c(NC(=O)CC[N@@H+](C)C(C2CC2)C2CC2)cccc1[N+](=O)[O-] ZINC000050989611 454603749 /nfs/dbraw/zinc/60/37/49/454603749.db2.gz XJRJHIUXBJKWIN-UHFFFAOYSA-N 1 0 331.416 3.352 20 5 EGBDRO CCCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000092710243 454615702 /nfs/dbraw/zinc/61/57/02/454615702.db2.gz LBEPOOVOTKQGKF-MRXNPFEDSA-N 1 0 333.432 3.032 20 5 EGBDRO Cc1cc(N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)ncc1[N+](=O)[O-] ZINC000074751675 454629160 /nfs/dbraw/zinc/62/91/60/454629160.db2.gz UMLVWXNKUJXIFI-JKSUJKDBSA-N 1 0 332.448 3.389 20 5 EGBDRO O=C(NC1CC[NH+](CC2CCCCC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000065917704 454638630 /nfs/dbraw/zinc/63/86/30/454638630.db2.gz NCDCJOUHSMUMAO-UHFFFAOYSA-N 1 0 345.443 3.369 20 5 EGBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@H]2CCCc2ccccc2)n1 ZINC000135361275 454667769 /nfs/dbraw/zinc/66/77/69/454667769.db2.gz HAXNDOMHAJYFHG-KRWDZBQOSA-N 1 0 328.416 3.279 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000153132489 454763841 /nfs/dbraw/zinc/76/38/41/454763841.db2.gz HNEICGVPSIIMJE-PBHICJAKSA-N 1 0 334.416 3.383 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC(OC(C)(C)C)CC1 ZINC000162621491 454788611 /nfs/dbraw/zinc/78/86/11/454788611.db2.gz SFFORTNQEIMPFD-UHFFFAOYSA-N 1 0 349.431 3.121 20 5 EGBDRO C[N@H+](CCn1cccn1)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000125278718 454810888 /nfs/dbraw/zinc/81/08/88/454810888.db2.gz KEULHCRVVVZXAZ-UHFFFAOYSA-N 1 0 326.356 3.183 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000163084997 454821757 /nfs/dbraw/zinc/82/17/57/454821757.db2.gz WPDWKPKBUBSEDM-UHFFFAOYSA-N 1 0 342.399 3.157 20 5 EGBDRO CCOc1ccc([C@H](C)N[C@@H]2CC[N@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000153694770 454821828 /nfs/dbraw/zinc/82/18/28/454821828.db2.gz DRBFSAHVESXNRR-XJKSGUPXSA-N 1 0 333.432 3.128 20 5 EGBDRO CC[C@H]([NH2+]C[C@H](O)c1ccc(OC)cc1)c1cccc([N+](=O)[O-])c1 ZINC000125445607 454823277 /nfs/dbraw/zinc/82/32/77/454823277.db2.gz FVIDTROFYXUGGL-ROUUACIJSA-N 1 0 330.384 3.378 20 5 EGBDRO Cc1ccc([C@H](C)NC(=O)NC2CC[NH+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000175554760 455462623 /nfs/dbraw/zinc/46/26/23/455462623.db2.gz FAYCCBZUPQYVAD-AWEZNQCLSA-N 1 0 348.447 3.136 20 5 EGBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000163238482 454833051 /nfs/dbraw/zinc/83/30/51/454833051.db2.gz LENUADLBRXNZIA-SUMWQHHRSA-N 1 0 344.415 3.075 20 5 EGBDRO C[C@H]1C[C@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C[N@@H+]1C1CC1 ZINC000177211534 454837260 /nfs/dbraw/zinc/83/72/60/454837260.db2.gz GAHVHBMKDZSMIQ-JQWIXIFHSA-N 1 0 345.424 3.165 20 5 EGBDRO C[C@@H]([N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1(C)CC1 ZINC000177228043 454839640 /nfs/dbraw/zinc/83/96/40/454839640.db2.gz RZXXUYZJTLZRLD-SNVBAGLBSA-N 1 0 325.796 3.307 20 5 EGBDRO CC[NH+](CC)C[C@H](C)Nc1ncc([N+](=O)[O-])c(C)c1Br ZINC000165754264 454903839 /nfs/dbraw/zinc/90/38/39/454903839.db2.gz ZCOUFTFDBQOMMM-VIFPVBQESA-N 1 0 345.241 3.203 20 5 EGBDRO CC[C@@H]([NH2+]C[C@@H](O)COc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000177797803 454907029 /nfs/dbraw/zinc/90/70/29/454907029.db2.gz NZXBAIPJDKMXQA-SJLPKXTDSA-N 1 0 330.384 3.075 20 5 EGBDRO C[C@H]([NH2+][C@H]1CCN(c2ncccc2F)C1)c1cccc([N+](=O)[O-])c1 ZINC000168111493 454925203 /nfs/dbraw/zinc/92/52/03/454925203.db2.gz KDMLMJUCCRBEKC-JSGCOSHPSA-N 1 0 330.363 3.058 20 5 EGBDRO COc1ccc(NC(=O)[C@@H](C)N(C)Cc2ccsc2)c([N+](=O)[O-])c1 ZINC000127204697 454945568 /nfs/dbraw/zinc/94/55/68/454945568.db2.gz UWPHTFMFZWSPLW-LLVKDONJSA-N 1 0 349.412 3.124 20 5 EGBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000170639905 454946437 /nfs/dbraw/zinc/94/64/37/454946437.db2.gz RRKJDIMMJSDFBO-CHWSQXEVSA-N 1 0 346.431 3.012 20 5 EGBDRO CC[NH+](CC)CCC[C@@H](C)Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000170639206 454946487 /nfs/dbraw/zinc/94/64/87/454946487.db2.gz CSHXYPUYUCASLC-CYBMUJFWSA-N 1 0 348.447 3.402 20 5 EGBDRO Cc1ccc(C[NH2+]C[C@@](C)(O)c2ccc(F)cc2F)cc1[N+](=O)[O-] ZINC000114509058 454959276 /nfs/dbraw/zinc/95/92/76/454959276.db2.gz ICMQKKZBAUAHEC-QGZVFWFLSA-N 1 0 336.338 3.179 20 5 EGBDRO Cc1ccc(NC(=O)N2CC[NH+](C3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC000151513437 454996075 /nfs/dbraw/zinc/99/60/75/454996075.db2.gz CTNJBQPVPXRCIB-UHFFFAOYSA-N 1 0 346.431 3.385 20 5 EGBDRO Cc1c([C@@H](C)[NH2+]CCCN2CCCCCC2=O)cccc1[N+](=O)[O-] ZINC000155517054 455011168 /nfs/dbraw/zinc/01/11/68/455011168.db2.gz CISIFABWPIISDH-OAHLLOKOSA-N 1 0 333.432 3.347 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000179623120 455061959 /nfs/dbraw/zinc/06/19/59/455061959.db2.gz RZGDYDCKBIDVDF-INIZCTEOSA-N 1 0 347.459 3.466 20 5 EGBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+](C1CC1)C1CCCC1 ZINC000117335155 455083971 /nfs/dbraw/zinc/08/39/71/455083971.db2.gz XAYSZFLPCWMENI-UHFFFAOYSA-N 1 0 345.399 3.300 20 5 EGBDRO Cc1c([C@H](C)[NH2+]CCCN(C)CC(F)(F)F)cccc1[N+](=O)[O-] ZINC000156383927 455111978 /nfs/dbraw/zinc/11/19/78/455111978.db2.gz RMNOIQKLCZJZEA-LBPRGKRZSA-N 1 0 333.354 3.438 20 5 EGBDRO O=[N+]([O-])c1ccc(NCC2CCN(c3cc[nH+]cc3)CC2)c(F)c1 ZINC000180045445 455122194 /nfs/dbraw/zinc/12/21/94/455122194.db2.gz MUTIVUGNTKORFY-UHFFFAOYSA-N 1 0 330.363 3.457 20 5 EGBDRO CCc1ccc(C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000173452543 455285557 /nfs/dbraw/zinc/28/55/57/455285557.db2.gz ROTFDCHTJXHLRH-KRWDZBQOSA-N 1 0 345.443 3.248 20 5 EGBDRO C[C@@H](c1ccccc1F)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000245443733 455301415 /nfs/dbraw/zinc/30/14/15/455301415.db2.gz JBMOTGUKOBXMFQ-QWHCGFSZSA-N 1 0 330.363 3.376 20 5 EGBDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000173662463 455325070 /nfs/dbraw/zinc/32/50/70/455325070.db2.gz XNTCUZSEMFJTEB-HNNXBMFYSA-N 1 0 347.459 3.154 20 5 EGBDRO C[C@@H]([NH2+]CC(=O)Nc1ccc(F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000182021997 455418429 /nfs/dbraw/zinc/41/84/29/455418429.db2.gz VAXWZCWECSHOIX-SNVBAGLBSA-N 1 0 335.310 3.162 20 5 EGBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000184699675 455431338 /nfs/dbraw/zinc/43/13/38/455431338.db2.gz NYNIMGFQIVRJON-NVXWUHKLSA-N 1 0 347.459 3.012 20 5 EGBDRO COc1ccc(NC(=O)CC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000182404628 455506579 /nfs/dbraw/zinc/50/65/79/455506579.db2.gz LMMUFEVTRNKMSV-CYBMUJFWSA-N 1 0 343.383 3.283 20 5 EGBDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000267356877 455546154 /nfs/dbraw/zinc/54/61/54/455546154.db2.gz HIFFEWJRLRCFKM-GFCCVEGCSA-N 1 0 339.823 3.195 20 5 EGBDRO COc1cccc(NCC2CCN(c3cc[nH+]cc3)CC2)c1[N+](=O)[O-] ZINC000185667091 455592456 /nfs/dbraw/zinc/59/24/56/455592456.db2.gz YAIHVPPAGFAOQW-UHFFFAOYSA-N 1 0 342.399 3.327 20 5 EGBDRO CN(CC[N@H+](C)C1CCCCC1)C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000268122268 455594749 /nfs/dbraw/zinc/59/47/49/455594749.db2.gz BQKXVYWDSSGOAU-UHFFFAOYSA-N 1 0 337.395 3.070 20 5 EGBDRO O=[N+]([O-])c1ccc(CN2CCC[C@@H]2c2ccncc2)c([N+](=O)[O-])c1 ZINC000283911937 455610698 /nfs/dbraw/zinc/61/06/98/455610698.db2.gz BWAABDRXDFGOOZ-OAHLLOKOSA-N 1 0 328.328 3.235 20 5 EGBDRO O=[N+]([O-])c1cnc(NCC2([NH+]3CCSCC3)CCCCC2)s1 ZINC000192453831 455621256 /nfs/dbraw/zinc/62/12/56/455621256.db2.gz VKRZCXDXNDMPGO-UHFFFAOYSA-N 1 0 342.490 3.215 20 5 EGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCC[C@H](C)CO ZINC000271520714 455670855 /nfs/dbraw/zinc/67/08/55/455670855.db2.gz OKQFRCLWKSTXFT-KBPBESRZSA-N 1 0 326.462 3.464 20 5 EGBDRO C[C@H](c1ccc(F)cc1)[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248373663 455708506 /nfs/dbraw/zinc/70/85/06/455708506.db2.gz KMVAIAXBMYNGEP-CZUORRHYSA-N 1 0 348.374 3.167 20 5 EGBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCC[C@@H](C(=O)N(C)C)C2)cccc1[N+](=O)[O-] ZINC000268883574 455717146 /nfs/dbraw/zinc/71/71/46/455717146.db2.gz INSCQYFGEVXIMA-RRFJBIMHSA-N 1 0 333.432 3.201 20 5 EGBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccc([S@@](C)=O)cc1 ZINC000268900383 455722799 /nfs/dbraw/zinc/72/27/99/455722799.db2.gz CNZMIYLBQHPYQA-JCQPUDPBSA-N 1 0 332.425 3.226 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CC1(CCO)CCCC1)C1CC1 ZINC000268911174 455728392 /nfs/dbraw/zinc/72/83/92/455728392.db2.gz HSQIVOASKHYRID-QGZVFWFLSA-N 1 0 332.444 3.448 20 5 EGBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)[C@H]1Oc1ccccc1 ZINC000249391815 455752792 /nfs/dbraw/zinc/75/27/92/455752792.db2.gz AFOZEVLIXPUHCN-BFYDXBDKSA-N 1 0 348.424 3.371 20 5 EGBDRO C[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1ccc([S@](C)=O)cc1 ZINC000271777803 455756139 /nfs/dbraw/zinc/75/61/39/455756139.db2.gz GJXSHKGXHYMSFR-OZAJXLCCSA-N 1 0 348.424 3.062 20 5 EGBDRO C[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1ccc([S@@](C)=O)cc1 ZINC000271777806 455756180 /nfs/dbraw/zinc/75/61/80/455756180.db2.gz GJXSHKGXHYMSFR-YEBMWUKDSA-N 1 0 348.424 3.062 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1NC1CC[NH+](C3CCCC3)CC1)CCN2 ZINC000278148959 455770983 /nfs/dbraw/zinc/77/09/83/455770983.db2.gz BERNTVRNRIUDIZ-UHFFFAOYSA-N 1 0 330.432 3.382 20 5 EGBDRO Cc1c(C[NH2+][C@H](C)c2ccc3c(c2)CC(=O)N3C)cccc1[N+](=O)[O-] ZINC000271871748 455794173 /nfs/dbraw/zinc/79/41/73/455794173.db2.gz WJUUQDKVSDTFAE-CYBMUJFWSA-N 1 0 339.395 3.273 20 5 EGBDRO C[C@@H]([NH2+]Cc1ccc2c(n1)CCCC2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285333976 455826076 /nfs/dbraw/zinc/82/60/76/455826076.db2.gz UJXGBDGBPYRGFD-GFCCVEGCSA-N 1 0 326.400 3.302 20 5 EGBDRO CN(CC[N@H+](C)C1CC1)Cc1cc(=O)oc2ccc3ccccc3c12 ZINC000186743550 455830746 /nfs/dbraw/zinc/83/07/46/455830746.db2.gz JFUTWIYJFXPPGF-UHFFFAOYSA-N 1 0 336.435 3.472 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285518868 455862273 /nfs/dbraw/zinc/86/22/73/455862273.db2.gz OCDMPRPFIVDWNP-BYICEURKSA-N 1 0 347.459 3.439 20 5 EGBDRO COC(=O)[C@@H]1CC12CC[NH+]([C@H](C)c1cc([N+](=O)[O-])ccc1C)CC2 ZINC000272273796 455898594 /nfs/dbraw/zinc/89/85/94/455898594.db2.gz DOLAUVNRHIGKEI-CJNGLKHVSA-N 1 0 332.400 3.239 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(C)cc(C[NH+](C)C)c2)c1 ZINC000270359540 455937877 /nfs/dbraw/zinc/93/78/77/455937877.db2.gz GCFKZQMNUXXIBI-UHFFFAOYSA-N 1 0 343.383 3.226 20 5 EGBDRO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000272479679 455964847 /nfs/dbraw/zinc/96/48/47/455964847.db2.gz MBHGWEVUCMMTSR-HIFRSBDPSA-N 1 0 349.431 3.330 20 5 EGBDRO C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000296721387 456018891 /nfs/dbraw/zinc/01/88/91/456018891.db2.gz NNXCNJDHHGFRSO-RVKKMQEKSA-N 1 0 341.411 3.023 20 5 EGBDRO CCC[N@@H+](Cc1ccccc1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000216397722 456029296 /nfs/dbraw/zinc/02/92/96/456029296.db2.gz QPKSKLMJJOYXPL-QGZVFWFLSA-N 1 0 344.411 3.247 20 5 EGBDRO COc1cc(C[NH2+][C@H]2C[C@H](c3cccc(F)c3)C2)c([N+](=O)[O-])cc1O ZINC000280710231 456036225 /nfs/dbraw/zinc/03/62/25/456036225.db2.gz UBLNVZDGEHCZOQ-NNUKFRKNSA-N 1 0 346.358 3.484 20 5 EGBDRO C[C@H](C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)C1C[NH2+]C1 ZINC000262508243 456041362 /nfs/dbraw/zinc/04/13/62/456041362.db2.gz JHFQTQZIRWAJEK-LBPRGKRZSA-N 1 0 341.367 3.181 20 5 EGBDRO C[NH+](C)CCCC1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000270909907 456064820 /nfs/dbraw/zinc/06/48/20/456064820.db2.gz BZPLTWILEUKOHH-JXMROGBWSA-N 1 0 345.443 3.188 20 5 EGBDRO Cc1cnc(NC[C@H](C)[N@@H+]2CCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000301455322 456120850 /nfs/dbraw/zinc/12/08/50/456120850.db2.gz RQOOOLCJRYNQNZ-AWEZNQCLSA-N 1 0 326.400 3.157 20 5 EGBDRO CCOc1ccc([C@@H](C)[NH2+]CCNc2ccccn2)cc1[N+](=O)[O-] ZINC000271131130 456134616 /nfs/dbraw/zinc/13/46/16/456134616.db2.gz LVYMYZQGYDROLT-CYBMUJFWSA-N 1 0 330.388 3.151 20 5 EGBDRO Cc1cc([C@@H](C)[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])ccc1F ZINC000273005547 456142138 /nfs/dbraw/zinc/14/21/38/456142138.db2.gz AHFMMDWRAUBQEA-UKRRQHHQSA-N 1 0 348.374 3.133 20 5 EGBDRO C[S@](=O)C1(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CCC1 ZINC000281194033 456161107 /nfs/dbraw/zinc/16/11/07/456161107.db2.gz XURCKFOQOZAYIJ-WNSKOXEYSA-N 1 0 336.457 3.208 20 5 EGBDRO Cc1ccnc(N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000301616115 456164117 /nfs/dbraw/zinc/16/41/17/456164117.db2.gz JNICILJSFBBSOS-ZBFHGGJFSA-N 1 0 326.400 3.373 20 5 EGBDRO Cc1cccc(C[C@@H](CO)[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])c1 ZINC000189005079 456197367 /nfs/dbraw/zinc/19/73/67/456197367.db2.gz SRXLCANGVVZNQP-YXOJNZSOSA-N 1 0 326.396 3.110 20 5 EGBDRO CC(C)SCC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000290046474 456225094 /nfs/dbraw/zinc/22/50/94/456225094.db2.gz GFPHSMOJWLSFEF-UHFFFAOYSA-N 1 0 334.445 3.227 20 5 EGBDRO CCC[NH+]1CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1 ZINC000301880125 456240309 /nfs/dbraw/zinc/24/03/09/456240309.db2.gz PDAJVFOXBQSQDR-UHFFFAOYSA-N 1 0 326.400 3.189 20 5 EGBDRO COc1cc(N2CC[NH+](CCC(C)(C)C)CC2)c(F)cc1[N+](=O)[O-] ZINC000301909918 456248265 /nfs/dbraw/zinc/24/82/65/456248265.db2.gz BAXYBRQNKSAOJD-UHFFFAOYSA-N 1 0 339.411 3.301 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCN(c2cncc(F)c2)CC1 ZINC000352780509 456300150 /nfs/dbraw/zinc/30/01/50/456300150.db2.gz VAKPRUUCQXLONU-CQSZACIVSA-N 1 0 344.390 3.321 20 5 EGBDRO CC[C@@H]1CN(c2ccc([N+](=O)[O-])cn2)CC[N@@H+]1Cc1ccccc1 ZINC000302180843 456308436 /nfs/dbraw/zinc/30/84/36/456308436.db2.gz ZLKDXQDKNLDOIY-MRXNPFEDSA-N 1 0 326.400 3.091 20 5 EGBDRO C[C@H](CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)[N@@H+]1CCCC[C@H]1C ZINC000342926021 456318636 /nfs/dbraw/zinc/31/86/36/456318636.db2.gz OIPIJWLBRRBRGG-CHWSQXEVSA-N 1 0 344.415 3.069 20 5 EGBDRO C[NH+](C)CCc1ccccc1NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000275944083 456355753 /nfs/dbraw/zinc/35/57/53/456355753.db2.gz ZTSXQPQNBIDWGF-UHFFFAOYSA-N 1 0 341.411 3.270 20 5 EGBDRO CCN(CCC[NH+](CC)CC)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000276203786 456412516 /nfs/dbraw/zinc/41/25/16/456412516.db2.gz JAGBWRBZPHJLDH-UHFFFAOYSA-N 1 0 340.399 3.320 20 5 EGBDRO C[N@H+]1C[C@H]2CN(c3cc(Cl)c(C(F)(F)F)cc3[N+](=O)[O-])C[C@H]2C1 ZINC000302858629 456418969 /nfs/dbraw/zinc/41/89/69/456418969.db2.gz NOJURGJDOMDFER-DTORHVGOSA-N 1 0 349.740 3.265 20 5 EGBDRO Cn1c2ccccc2nc1CC[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282356438 456488418 /nfs/dbraw/zinc/48/84/18/456488418.db2.gz CWDDHEZZZVFHHW-UHFFFAOYSA-N 1 0 338.411 3.199 20 5 EGBDRO CC[C@@H](C)[NH2+][C@@H](CNc1nc2sccn2c1[N+](=O)[O-])c1ccco1 ZINC000343264797 456492943 /nfs/dbraw/zinc/49/29/43/456492943.db2.gz LWCZLQORPOCRAQ-MNOVXSKESA-N 1 0 349.416 3.438 20 5 EGBDRO O=[N+]([O-])c1cc(C[NH2+]CC2(CO)CC2)ccc1Oc1ccc(F)cc1 ZINC000304539148 456515703 /nfs/dbraw/zinc/51/57/03/456515703.db2.gz QHEVXXJIXXOIND-UHFFFAOYSA-N 1 0 346.358 3.388 20 5 EGBDRO CCO[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000353158550 456530199 /nfs/dbraw/zinc/53/01/99/456530199.db2.gz WKFFIMSRNCDYJL-WMZOPIPTSA-N 1 0 346.383 3.138 20 5 EGBDRO CCNc1ccc(C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000343323796 456531710 /nfs/dbraw/zinc/53/17/10/456531710.db2.gz TUDYIAJUHMJRMU-UONOGXRCSA-N 1 0 348.447 3.019 20 5 EGBDRO Cc1cnn(CCCCC[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000282500275 456532996 /nfs/dbraw/zinc/53/29/96/456532996.db2.gz QTIFFIVCZBHVMD-UHFFFAOYSA-N 1 0 330.432 3.445 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1ccc2n[nH]cc2c1 ZINC000353281876 456607968 /nfs/dbraw/zinc/60/79/68/456607968.db2.gz DDYZFDMJNAARRZ-LLVKDONJSA-N 1 0 326.356 3.331 20 5 EGBDRO CC[C@@H](C)[NH2+][C@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000353329241 456642709 /nfs/dbraw/zinc/64/27/09/456642709.db2.gz KEEDWRDFUHUCKU-IUODEOHRSA-N 1 0 346.387 3.439 20 5 EGBDRO C[C@@H]1CCCC[N@@H+]1CCCNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000325537062 456684152 /nfs/dbraw/zinc/68/41/52/456684152.db2.gz RGSCTJPHJWJPHG-CYBMUJFWSA-N 1 0 329.404 3.214 20 5 EGBDRO CC(=O)N1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC12CCCCC2 ZINC000283023518 456692465 /nfs/dbraw/zinc/69/24/65/456692465.db2.gz HAIJYKRIEMHRRC-UHFFFAOYSA-N 1 0 349.406 3.101 20 5 EGBDRO C[C@H]1CC[N@H+](C)CCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000353433297 456695160 /nfs/dbraw/zinc/69/51/60/456695160.db2.gz FNAUVHSPWPYMFR-AWEZNQCLSA-N 1 0 329.400 3.381 20 5 EGBDRO CC[N@@H+]1C[C@H](C)N(C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000353468934 456700956 /nfs/dbraw/zinc/70/09/56/456700956.db2.gz ASSXXLCKJRAYNC-KBPBESRZSA-N 1 0 333.432 3.273 20 5 EGBDRO CC[C@@H]1CC[C@H](C)[N@@H+]1CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000299726476 456775650 /nfs/dbraw/zinc/77/56/50/456775650.db2.gz UXOBYXVHJMHFMC-QWHCGFSZSA-N 1 0 335.404 3.195 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCc1ccc2c[nH]nc2c1 ZINC000341366777 456858406 /nfs/dbraw/zinc/85/84/06/456858406.db2.gz CLFIPBDBBPCIPP-UHFFFAOYSA-N 1 0 340.383 3.202 20 5 EGBDRO COCCO[C@H]1CCC[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000338959136 456877136 /nfs/dbraw/zinc/87/71/36/456877136.db2.gz VCDTZJCMASBBFG-INIZCTEOSA-N 1 0 336.432 3.346 20 5 EGBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000339107053 456944155 /nfs/dbraw/zinc/94/41/55/456944155.db2.gz MUTOVFCMEYNQIS-CPUCHLNUSA-N 1 0 346.431 3.464 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC000353903811 456958907 /nfs/dbraw/zinc/95/89/07/456958907.db2.gz HUZCRZUZEGMQGH-STQMWFEESA-N 1 0 334.420 3.104 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@H]1[C@H](C)CCC[C@@H]1C ZINC000330862593 457097118 /nfs/dbraw/zinc/09/71/18/457097118.db2.gz VZPAFVKZDRYFSG-PFHKOEEOSA-N 1 0 349.431 3.345 20 5 EGBDRO Cc1ccc(C[NH2+]Cc2cccc(N3CCOCC3)c2)cc1[N+](=O)[O-] ZINC000339420457 457104924 /nfs/dbraw/zinc/10/49/24/457104924.db2.gz BWQFVLZAYVUCRF-UHFFFAOYSA-N 1 0 341.411 3.030 20 5 EGBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)C[N@H+](C)C(C)C ZINC000356765550 457157336 /nfs/dbraw/zinc/15/73/36/457157336.db2.gz KSNBOULZMGDWBP-HOCLYGCPSA-N 1 0 335.448 3.008 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000331369042 457174813 /nfs/dbraw/zinc/17/48/13/457174813.db2.gz FPBLQDVSLBBZOM-PBHICJAKSA-N 1 0 346.431 3.289 20 5 EGBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H]1CCCc1ccccc1 ZINC000362965209 457178173 /nfs/dbraw/zinc/17/81/73/457178173.db2.gz AKUOXFOXSLJVRM-INIZCTEOSA-N 1 0 328.416 3.316 20 5 EGBDRO CCNC(=O)C1(C[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CCC1 ZINC000362986471 457184765 /nfs/dbraw/zinc/18/47/65/457184765.db2.gz LJALPRQQPJLSSU-UHFFFAOYSA-N 1 0 333.432 3.114 20 5 EGBDRO O=[N+]([O-])c1cnn(CC[N@H+](Cc2cccc(F)c2)C2CCCC2)c1 ZINC000350683718 457198545 /nfs/dbraw/zinc/19/85/45/457198545.db2.gz GWHJPNFTPMPNQQ-UHFFFAOYSA-N 1 0 332.379 3.375 20 5 EGBDRO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](CC3CC3)C2)c([N+](=O)[O-])c1 ZINC000339670380 457202579 /nfs/dbraw/zinc/20/25/79/457202579.db2.gz BZHNGDNIJQLJNG-JSGCOSHPSA-N 1 0 347.415 3.052 20 5 EGBDRO Cc1c(C(=O)N2CCC[C@H]([NH+]3[C@@H](C)CC[C@@H]3C)C2)cccc1[N+](=O)[O-] ZINC000347054222 457206507 /nfs/dbraw/zinc/20/65/07/457206507.db2.gz KIESCOYSXOSQLL-DZKIICNBSA-N 1 0 345.443 3.381 20 5 EGBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C[C@H]1C ZINC000354417875 457208490 /nfs/dbraw/zinc/20/84/90/457208490.db2.gz DQMYUKQGZXGIAX-OCCSQVGLSA-N 1 0 344.415 3.021 20 5 EGBDRO Cc1cccc(CN(CC[NH+](C)C)c2cc(C)c([N+](=O)[O-])cn2)c1 ZINC000347161084 457262710 /nfs/dbraw/zinc/26/27/10/457262710.db2.gz NIBCLNNBCUSZKS-UHFFFAOYSA-N 1 0 328.416 3.175 20 5 EGBDRO COc1nc(C)cc(C)c1C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000347199960 457285186 /nfs/dbraw/zinc/28/51/86/457285186.db2.gz KFJCLFHFDBAPKT-UHFFFAOYSA-N 1 0 329.400 3.290 20 5 EGBDRO CCN(CCC[NH+]1CCCC1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000357107336 457326490 /nfs/dbraw/zinc/32/64/90/457326490.db2.gz DTNNOOLBNMTLCI-UHFFFAOYSA-N 1 0 339.823 3.196 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000347327080 457354394 /nfs/dbraw/zinc/35/43/94/457354394.db2.gz XGWWSGIBFBOMTA-PBHICJAKSA-N 1 0 333.432 3.052 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(O[C@@H]2CCOC2)CC1 ZINC000347367877 457378540 /nfs/dbraw/zinc/37/85/40/457378540.db2.gz NDDGUVKKIQWJOK-FERCGXDMSA-N 1 0 346.427 3.268 20 5 EGBDRO CC(=O)NC1CCC([N@H+](C)C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000347379112 457388850 /nfs/dbraw/zinc/38/88/50/457388850.db2.gz OQTKDTIZTRHQRX-SDNWHVSQSA-N 1 0 345.443 3.377 20 5 EGBDRO CO[C@H]1CCC[N@@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000363679054 457413215 /nfs/dbraw/zinc/41/32/15/457413215.db2.gz UXSKEOJTRIRKSK-WFASDCNBSA-N 1 0 346.387 3.207 20 5 EGBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)Nc1ncnc2cccc([N+](=O)[O-])c21 ZINC000347428570 457422319 /nfs/dbraw/zinc/42/23/19/457422319.db2.gz KWUGSVZIJJDXOE-STQMWFEESA-N 1 0 329.404 3.070 20 5 EGBDRO CCn1c(C)nc([N+](=O)[O-])c1NC1CC[NH+](C2CCCCC2)CC1 ZINC000360985950 457492088 /nfs/dbraw/zinc/49/20/88/457492088.db2.gz QJVBNQXEGVQEDK-UHFFFAOYSA-N 1 0 335.452 3.329 20 5 EGBDRO CC(C)C[N@@H+]1CCC[C@H](CNc2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000342777635 457517400 /nfs/dbraw/zinc/51/74/00/457517400.db2.gz JIJVJLKQGJBYDG-GFCCVEGCSA-N 1 0 349.460 3.379 20 5 EGBDRO CC1(C)C[C@@H]([NH2+][C@H]2CCn3ccnc3C2)c2cc([N+](=O)[O-])ccc21 ZINC000433064479 457656644 /nfs/dbraw/zinc/65/66/44/457656644.db2.gz AZBPHBANXRKJGL-BLLLJJGKSA-N 1 0 326.400 3.118 20 5 EGBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@H]3C[C@@H]3c3ccccc3)CC2)n1 ZINC000361382834 457713275 /nfs/dbraw/zinc/71/32/75/457713275.db2.gz XRNCSUTYMVFYHV-NVXWUHKLSA-N 1 0 326.400 3.232 20 5 EGBDRO C[C@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)C[NH+]1CCCCC1 ZINC000357869959 457718872 /nfs/dbraw/zinc/71/88/72/457718872.db2.gz VYYYCJFGVJUWOI-CYBMUJFWSA-N 1 0 345.399 3.193 20 5 EGBDRO C[C@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000443332201 457750237 /nfs/dbraw/zinc/75/02/37/457750237.db2.gz HFRGLRFVKAVJIJ-IIYDPXPESA-N 1 0 345.399 3.231 20 5 EGBDRO CC(=O)Nc1ccc(C[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)cn1 ZINC000433201432 457778536 /nfs/dbraw/zinc/77/85/36/457778536.db2.gz WMXJJFGOLWPHDC-UHFFFAOYSA-N 1 0 342.399 3.361 20 5 EGBDRO CC[C@H]1C[C@@H](C)C[N@@H+]1CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000411302404 457852344 /nfs/dbraw/zinc/85/23/44/457852344.db2.gz ORJKXVVCEZFNGO-OLZOCXBDSA-N 1 0 335.404 3.052 20 5 EGBDRO CC[C@H]([NH2+][C@@H](CO)Cc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000358234913 457877529 /nfs/dbraw/zinc/87/75/29/457877529.db2.gz HEXJUQIQFODCLM-AEFFLSMTSA-N 1 0 332.375 3.378 20 5 EGBDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000361817462 457882003 /nfs/dbraw/zinc/88/20/03/457882003.db2.gz NZWCMIONPJTHNH-MRXNPFEDSA-N 1 0 334.420 3.227 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@H](C)C1CCC1 ZINC000411433777 457886618 /nfs/dbraw/zinc/88/66/18/457886618.db2.gz VDMSVJCCYONJQT-GFCCVEGCSA-N 1 0 335.404 3.052 20 5 EGBDRO COCC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCC[C@H]1C ZINC000411628208 457932335 /nfs/dbraw/zinc/93/23/35/457932335.db2.gz RJKFIESJJUAALP-GDBMZVCRSA-N 1 0 349.431 3.060 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1ccc(CN2CC[C@H]3[NH2+]CC[C@H]3C2)o1 ZINC000427138858 457949154 /nfs/dbraw/zinc/94/91/54/457949154.db2.gz ZNULIDBAUYLQBF-XJKSGUPXSA-N 1 0 327.384 3.039 20 5 EGBDRO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000444748412 457963553 /nfs/dbraw/zinc/96/35/53/457963553.db2.gz JGXBARFQKAGSGQ-CQSZACIVSA-N 1 0 349.431 3.300 20 5 EGBDRO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCSC4(CCC4)CC3)nc2c1 ZINC000411872798 457997356 /nfs/dbraw/zinc/99/73/56/457997356.db2.gz AKFHKTABIVIWTP-UHFFFAOYSA-N 1 0 332.429 3.333 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000434706090 458040429 /nfs/dbraw/zinc/04/04/29/458040429.db2.gz LTCKXCFIMOFMLR-QGZVFWFLSA-N 1 0 331.416 3.496 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000375817506 458079595 /nfs/dbraw/zinc/07/95/95/458079595.db2.gz UIEUDSGTVUSJKS-CABCVRRESA-N 1 0 328.416 3.262 20 5 EGBDRO CCOC(=O)[C@@H]1CCC[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000435246375 458108516 /nfs/dbraw/zinc/10/85/16/458108516.db2.gz GVRIPRHPJWWQRW-OAHLLOKOSA-N 1 0 334.416 3.493 20 5 EGBDRO Cc1nc(C(C)C)oc1C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000428376154 458129199 /nfs/dbraw/zinc/12/91/99/458129199.db2.gz PYYGKMYVGOZODI-CYBMUJFWSA-N 1 0 345.403 3.096 20 5 EGBDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000446095321 458146955 /nfs/dbraw/zinc/14/69/55/458146955.db2.gz MMXOZINWZDEMJW-OAHLLOKOSA-N 1 0 333.432 3.288 20 5 EGBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H](C)C1 ZINC000429024092 458259373 /nfs/dbraw/zinc/25/93/73/458259373.db2.gz WOLGTVWAPNBJEJ-PBFPGSCMSA-N 1 0 337.851 3.410 20 5 EGBDRO COCC[C@]1([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCOC1 ZINC000447071569 458261041 /nfs/dbraw/zinc/26/10/41/458261041.db2.gz AATNRMSCXCVDRV-SFHVURJKSA-N 1 0 346.383 3.140 20 5 EGBDRO Cc1cccc(OC[C@@H](O)C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])c1 ZINC000429257821 458300261 /nfs/dbraw/zinc/30/02/61/458300261.db2.gz FUCBCELCLQJTML-HNNXBMFYSA-N 1 0 344.411 3.168 20 5 EGBDRO COc1cc(C)cc(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000447585128 458316374 /nfs/dbraw/zinc/31/63/74/458316374.db2.gz IJBLCMVURCPMAU-IAGOWNOFSA-N 1 0 344.415 3.382 20 5 EGBDRO Cc1csc([C@H](C)C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000447591869 458318101 /nfs/dbraw/zinc/31/81/01/458318101.db2.gz JDRLHDWLKVBNEG-BNOWGMLFSA-N 1 0 349.460 3.433 20 5 EGBDRO COc1ccc([C@H](C)C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000369698599 458318522 /nfs/dbraw/zinc/31/85/22/458318522.db2.gz WQAJUMIEANXNIX-CQSZACIVSA-N 1 0 344.415 3.241 20 5 EGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCC[C@H]2CCCCO2)n1 ZINC000447604702 458320503 /nfs/dbraw/zinc/32/05/03/458320503.db2.gz CIGPOTYZZOSWNP-OWCLPIDISA-N 1 0 336.436 3.214 20 5 EGBDRO C[C@@H]1C[C@H](c2cccnc2)[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000376555099 458336931 /nfs/dbraw/zinc/33/69/31/458336931.db2.gz UGUKKCLFZJYFLQ-RDTXWAMCSA-N 1 0 327.384 3.452 20 5 EGBDRO C[C@H]1CC[C@H]([N@H+](C)CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000429575208 458347736 /nfs/dbraw/zinc/34/77/36/458347736.db2.gz UKMCMXORBMQWGC-JQWIXIFHSA-N 1 0 325.796 3.307 20 5 EGBDRO O=[N+]([O-])c1ccc(C[N@H+](CCCO[C@H]2CCCCO2)C2CC2)cc1 ZINC000429696973 458359660 /nfs/dbraw/zinc/35/96/60/458359660.db2.gz HWXBBSGRLJONKF-SFHVURJKSA-N 1 0 334.416 3.493 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]1N(C)CCCC1(C)C ZINC000447903314 458364238 /nfs/dbraw/zinc/36/42/38/458364238.db2.gz MPXIAZBMANXDFF-QGZVFWFLSA-N 1 0 335.448 3.204 20 5 EGBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CC3(CCCC3)[C@H]2c2ccccc2)c1 ZINC000459570572 458414260 /nfs/dbraw/zinc/41/42/60/458414260.db2.gz DRYKNPBLUCWELV-QGZVFWFLSA-N 1 0 326.400 3.409 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000430193702 458418433 /nfs/dbraw/zinc/41/84/33/458418433.db2.gz AFTUYMTXRVQYBH-INIZCTEOSA-N 1 0 327.384 3.290 20 5 EGBDRO CCC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C1CCC1 ZINC000459769379 458474161 /nfs/dbraw/zinc/47/41/61/458474161.db2.gz BUHLEPBFWPLIAO-IUODEOHRSA-N 1 0 349.431 3.489 20 5 EGBDRO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000430822172 458495117 /nfs/dbraw/zinc/49/51/17/458495117.db2.gz JZFBLSZMKPGPGF-GOEBONIOSA-N 1 0 333.432 3.225 20 5 EGBDRO C[NH+](C)CCc1ccccc1NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000437918726 458511444 /nfs/dbraw/zinc/51/14/44/458511444.db2.gz RVQZMWDIHHQYME-UHFFFAOYSA-N 1 0 328.372 3.343 20 5 EGBDRO CC(C)c1ccc(C[C@@H]2CC[N@H+](CCn3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000460975538 458544337 /nfs/dbraw/zinc/54/43/37/458544337.db2.gz AOJRQPUCMJKYEU-KRWDZBQOSA-N 1 0 342.443 3.479 20 5 EGBDRO CCCN(Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H]1CC[NH2+]C1 ZINC000470008308 458606378 /nfs/dbraw/zinc/60/63/78/458606378.db2.gz JYKQIPFCGLEBQH-MRXNPFEDSA-N 1 0 329.400 3.429 20 5 EGBDRO C[C@H](Nc1nc2sccn2c1[N+](=O)[O-])[C@@H](c1ccccc1)[NH+](C)C ZINC000439122016 458658517 /nfs/dbraw/zinc/65/85/17/458658517.db2.gz WMNSSFLUWOBDFG-AAEUAGOBSA-N 1 0 345.428 3.407 20 5 EGBDRO CCc1ccc(C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000471338118 458689511 /nfs/dbraw/zinc/68/95/11/458689511.db2.gz WVOJUIMMLMMFBF-UONOGXRCSA-N 1 0 333.432 3.150 20 5 EGBDRO C[N@H+](Cc1ccccc1)C1CN(c2ccnc3c2cccc3[N+](=O)[O-])C1 ZINC000432156784 458691125 /nfs/dbraw/zinc/69/11/25/458691125.db2.gz PHSHDSQDWHLVQN-UHFFFAOYSA-N 1 0 348.406 3.464 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000463950028 458726133 /nfs/dbraw/zinc/72/61/33/458726133.db2.gz MSDPEXJZSPNERC-OAHLLOKOSA-N 1 0 348.447 3.454 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000463954650 458726187 /nfs/dbraw/zinc/72/61/87/458726187.db2.gz MFBGHEFLYGWNGF-SWLSCSKDSA-N 1 0 348.447 3.454 20 5 EGBDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ncccc1[N+](=O)[O-] ZINC000439695505 458741953 /nfs/dbraw/zinc/74/19/53/458741953.db2.gz ZARRQYMOIUNQRW-QGZVFWFLSA-N 1 0 340.427 3.338 20 5 EGBDRO CCC[C@@H]1[C@@H](C)CCC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000464734931 458767206 /nfs/dbraw/zinc/76/72/06/458767206.db2.gz KTHJOKQELQTZKG-WMLDXEAASA-N 1 0 333.432 3.458 20 5 EGBDRO CCC[C@@]1(C)CCC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000464840515 458781219 /nfs/dbraw/zinc/78/12/19/458781219.db2.gz USTWKIVITSUVMI-SFHVURJKSA-N 1 0 333.432 3.460 20 5 EGBDRO CC[C@@H](O)C[N@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000441072175 458884282 /nfs/dbraw/zinc/88/42/82/458884282.db2.gz ZUKFPQYDQIELQX-GOSISDBHSA-N 1 0 344.411 3.247 20 5 EGBDRO COc1ccc(NC(=O)C[N@@H+]2CCCC[C@H]2CC(C)C)c([N+](=O)[O-])c1 ZINC000466692772 458912837 /nfs/dbraw/zinc/91/28/37/458912837.db2.gz TVAOBFRCRWFOMW-AWEZNQCLSA-N 1 0 349.431 3.443 20 5 EGBDRO CC(C)(C)OC(=O)NC[C@]1(C)CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000495789246 458955692 /nfs/dbraw/zinc/95/56/92/458955692.db2.gz VIESSDWKKOSBAK-SFHVURJKSA-N 1 0 349.431 3.332 20 5 EGBDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2F)C1 ZINC000519587481 458968263 /nfs/dbraw/zinc/96/82/63/458968263.db2.gz LBBBVQJCCRZBNS-ZIAGYGMSSA-N 1 0 336.411 3.220 20 5 EGBDRO O=C(CC[NH2+]CCc1ccc(Cl)cc1)Nc1ccccc1[N+](=O)[O-] ZINC000556899423 459029783 /nfs/dbraw/zinc/02/97/83/459029783.db2.gz JPUNPVKEYJGBHV-UHFFFAOYSA-N 1 0 347.802 3.409 20 5 EGBDRO COC(=O)N1CCC([NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000496050549 459050132 /nfs/dbraw/zinc/05/01/32/459050132.db2.gz ZYRSIZSSGZVMIY-KRWDZBQOSA-N 1 0 347.415 3.183 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCCC[C@H]2N2CCOCC2)cc1[N+](=O)[O-] ZINC000532248001 459053526 /nfs/dbraw/zinc/05/35/26/459053526.db2.gz FXFAZOCDFUUXQW-RYQLBKOJSA-N 1 0 347.459 3.197 20 5 EGBDRO COc1cccc2c1OC[C@@H]([NH2+][C@H]1CCc3c1cccc3[N+](=O)[O-])C2 ZINC000594495105 459060298 /nfs/dbraw/zinc/06/02/98/459060298.db2.gz OWMTZVGCBNXXNQ-BBRMVZONSA-N 1 0 340.379 3.184 20 5 EGBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCOC[C@@H](C3CCC3)C2)cc1 ZINC000590022615 459067831 /nfs/dbraw/zinc/06/78/31/459067831.db2.gz LUMUDDHXKVGIKC-INIZCTEOSA-N 1 0 334.416 3.112 20 5 EGBDRO C[C@@H](Cc1ccccn1)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000594517202 459074232 /nfs/dbraw/zinc/07/42/32/459074232.db2.gz HXSPBWZKGYOHRX-NSHDSACASA-N 1 0 337.326 3.312 20 5 EGBDRO C[C@@H]([NH2+]C[C@@](C)(CO)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000478184233 459080188 /nfs/dbraw/zinc/08/01/88/459080188.db2.gz XQKHOSXOIXABLR-BEFAXECRSA-N 1 0 328.412 3.487 20 5 EGBDRO Cc1cccc(C(=O)NCC[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000532447798 459089537 /nfs/dbraw/zinc/08/95/37/459089537.db2.gz PIWAIMJQIZKOOA-OAHLLOKOSA-N 1 0 341.411 3.292 20 5 EGBDRO COCCOc1ccc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)cn1 ZINC000532447930 459090926 /nfs/dbraw/zinc/09/09/26/459090926.db2.gz DBSGOBDIAWFHFG-CQSZACIVSA-N 1 0 345.399 3.174 20 5 EGBDRO CC(C)(CO)[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000558475058 459164374 /nfs/dbraw/zinc/16/43/74/459164374.db2.gz ACOKTARXUKOCEM-GOSISDBHSA-N 1 0 344.411 3.323 20 5 EGBDRO C[N@@H+]1CCC[C@@]2(CCN(c3nccc4c3cccc4[N+](=O)[O-])C2)C1 ZINC000590703504 459189414 /nfs/dbraw/zinc/18/94/14/459189414.db2.gz JWOJEDFCIBQUGL-GOSISDBHSA-N 1 0 326.400 3.065 20 5 EGBDRO CO[C@@](C)(C[NH2+]Cc1cccc([N+](=O)[O-])c1)COCc1ccccc1 ZINC000594974899 459202102 /nfs/dbraw/zinc/20/21/02/459202102.db2.gz NCCJUIDIOMXBLN-IBGZPJMESA-N 1 0 344.411 3.306 20 5 EGBDRO CC(C)[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H](CO)C(C)C ZINC000590758044 459206180 /nfs/dbraw/zinc/20/61/80/459206180.db2.gz WNCJRTVUQBZAMU-SUMWQHHRSA-N 1 0 335.404 3.115 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC(C)(C)[C@@]1(O)CCCOC1 ZINC000594993892 459208269 /nfs/dbraw/zinc/20/82/69/459208269.db2.gz ADWCLFLMXWOUON-JVVYVMHDSA-N 1 0 348.443 3.155 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC(C)(C)[C@]1(O)CCCOC1 ZINC000594993894 459208713 /nfs/dbraw/zinc/20/87/13/459208713.db2.gz ADWCLFLMXWOUON-XATQLNLPSA-N 1 0 348.443 3.155 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCOc1ccccc1F ZINC000595002914 459210990 /nfs/dbraw/zinc/21/09/90/459210990.db2.gz BNKYEVJDXCTYQZ-LBPRGKRZSA-N 1 0 334.347 3.472 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCC(=O)NC1CCCCC1 ZINC000595016287 459217417 /nfs/dbraw/zinc/21/74/17/459217417.db2.gz KBDHLBSIEMPNGI-ZDUSSCGKSA-N 1 0 349.431 3.093 20 5 EGBDRO CC(C)[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000533371048 459226288 /nfs/dbraw/zinc/22/62/88/459226288.db2.gz TXUYRKGGICXQMJ-KRWDZBQOSA-N 1 0 336.432 3.378 20 5 EGBDRO CCCN(CC[NH+]1CCCC1)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000481046869 459229855 /nfs/dbraw/zinc/22/98/55/459229855.db2.gz ACJZQEUOPKBACQ-OAHLLOKOSA-N 1 0 348.447 3.173 20 5 EGBDRO Cc1cccc(C[NH+]2CCN(CCc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000522268257 459232666 /nfs/dbraw/zinc/23/26/66/459232666.db2.gz AYUBACZLCYNNST-UHFFFAOYSA-N 1 0 339.439 3.264 20 5 EGBDRO C[C@@H]([NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)C1(CO)CC1 ZINC000595066507 459234333 /nfs/dbraw/zinc/23/43/33/459234333.db2.gz IBDJLTXRFFSDDC-KDOFPFPSSA-N 1 0 326.396 3.435 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]CC(C)(C)[C@@]2(O)CCCOC2)cc1[N+](=O)[O-] ZINC000595100009 459245856 /nfs/dbraw/zinc/24/58/56/459245856.db2.gz IBDGABBOGQYBGI-KBXCAEBGSA-N 1 0 336.432 3.122 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC(C)(C)[C@@]1(O)CCCOC1 ZINC000595106599 459247198 /nfs/dbraw/zinc/24/71/98/459247198.db2.gz VRIJRZKDBMNUAE-KBXCAEBGSA-N 1 0 336.432 3.122 20 5 EGBDRO CCc1ccc(C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000595222553 459258298 /nfs/dbraw/zinc/25/82/98/459258298.db2.gz NAOGXHRWKBAZQX-QGZVFWFLSA-N 1 0 345.443 3.009 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(OC(=O)N(C)C)CC1 ZINC000496649467 459273020 /nfs/dbraw/zinc/27/30/20/459273020.db2.gz WHSCAQAQXPNZFF-KAMYIIQDSA-N 1 0 347.415 3.161 20 5 EGBDRO C[C@@H](C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000581989532 459287982 /nfs/dbraw/zinc/28/79/82/459287982.db2.gz RXNSLRTWIMDYGT-ZNMIVQPWSA-N 1 0 345.443 3.347 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C2CCC2)C1 ZINC000591061798 459303359 /nfs/dbraw/zinc/30/33/59/459303359.db2.gz IRAQSGKWORYYPV-TZMCWYRMSA-N 1 0 347.415 3.052 20 5 EGBDRO COC[C@@H](Cc1ccccc1)[N@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595458441 459309212 /nfs/dbraw/zinc/30/92/12/459309212.db2.gz QPBWUPKGGVGYKK-QGZVFWFLSA-N 1 0 332.375 3.423 20 5 EGBDRO CCNC(=O)C[C@H]1CCCC[N@@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000560179085 459309347 /nfs/dbraw/zinc/30/93/47/459309347.db2.gz IVCIMBQWQBOFIU-GFCCVEGCSA-N 1 0 339.823 3.129 20 5 EGBDRO CCOCCC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])c(C)c2)[C@H](C)C1 ZINC000523753234 459329479 /nfs/dbraw/zinc/32/94/79/459329479.db2.gz QIYIUPCPUUQPPZ-WBVHZDCISA-N 1 0 335.448 3.452 20 5 EGBDRO CCOc1ccc(NC(=O)C[N@H+](CC)C[C@H](C)CC)c([N+](=O)[O-])c1 ZINC000482888070 459330384 /nfs/dbraw/zinc/33/03/84/459330384.db2.gz QPFSTTZUWYLWRQ-CYBMUJFWSA-N 1 0 337.420 3.300 20 5 EGBDRO COc1ccc(OCC[N@@H+]2CC[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000482938309 459330904 /nfs/dbraw/zinc/33/09/04/459330904.db2.gz SJGWIKMQKZGLQE-INIZCTEOSA-N 1 0 328.368 3.429 20 5 EGBDRO C[N@@H+]1CC[C@@H](C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000560381318 459334384 /nfs/dbraw/zinc/33/43/84/459334384.db2.gz LIFJWVJESNMCIW-CYBMUJFWSA-N 1 0 341.367 3.277 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C1CC1)C1(CO)CCC1 ZINC000595533171 459336823 /nfs/dbraw/zinc/33/68/23/459336823.db2.gz IHGSCUOXIGGJTD-UHFFFAOYSA-N 1 0 334.416 3.261 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000591298969 459348892 /nfs/dbraw/zinc/34/88/92/459348892.db2.gz QVTANEYOLGHINH-CABCVRRESA-N 1 0 346.431 3.147 20 5 EGBDRO COCC1([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCOCC1 ZINC000560563338 459373224 /nfs/dbraw/zinc/37/32/24/459373224.db2.gz ZEIJDNNBMCCRIS-UHFFFAOYSA-N 1 0 346.383 3.140 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC[C@H]1[C@H](C)CO ZINC000595672059 459390095 /nfs/dbraw/zinc/39/00/95/459390095.db2.gz HRLQUSGSPGDDLJ-PBHICJAKSA-N 1 0 336.432 3.365 20 5 EGBDRO CCC[C@]1(C)CCC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000541348625 459447714 /nfs/dbraw/zinc/44/77/14/459447714.db2.gz IFTSSEGXAFILLU-MAUKXSAKSA-N 1 0 336.432 3.237 20 5 EGBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CCCCS1 ZINC000541556450 459466298 /nfs/dbraw/zinc/46/62/98/459466298.db2.gz IZTGUEVLVCHVHW-SWLSCSKDSA-N 1 0 337.445 3.187 20 5 EGBDRO CC[C@@H]1CCC[C@H](C)[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000595868221 459468535 /nfs/dbraw/zinc/46/85/35/459468535.db2.gz UCOIJRWBJJIIHJ-QWHCGFSZSA-N 1 0 335.404 3.195 20 5 EGBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2C[C@H](c3ccccc3)[C@H]3CCCC[C@H]32)c1 ZINC000485884372 459477390 /nfs/dbraw/zinc/47/73/90/459477390.db2.gz WZKRHEYMCONFDF-GUDVDZBRSA-N 1 0 340.427 3.450 20 5 EGBDRO O=[N+]([O-])c1cccc(Br)c1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000596082865 459513316 /nfs/dbraw/zinc/51/33/16/459513316.db2.gz OLDQNUPJRFZWIL-WDEREUQCSA-N 1 0 340.221 3.396 20 5 EGBDRO COc1cc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCOC2)c([N+](=O)[O-])cc1F ZINC000592134922 459532126 /nfs/dbraw/zinc/53/21/26/459532126.db2.gz UBUGFMVRBNHUKA-SWLSCSKDSA-N 1 0 338.379 3.134 20 5 EGBDRO COc1cc(C[N@@H+]2CCC[C@H]2[C@@H]2CCCOC2)c([N+](=O)[O-])cc1F ZINC000592134920 459532442 /nfs/dbraw/zinc/53/24/42/459532442.db2.gz UBUGFMVRBNHUKA-DOMZBBRYSA-N 1 0 338.379 3.134 20 5 EGBDRO COc1ccc(NC(=O)[C@H](C)[N@H+](C)CCC(C)(C)C)c([N+](=O)[O-])c1 ZINC000592144667 459535682 /nfs/dbraw/zinc/53/56/82/459535682.db2.gz HJDAPXALWAVPJF-LBPRGKRZSA-N 1 0 337.420 3.298 20 5 EGBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596155203 459540887 /nfs/dbraw/zinc/54/08/87/459540887.db2.gz PXPKHYATSCXBBB-ZFWWWQNUSA-N 1 0 342.399 3.018 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592254488 459561163 /nfs/dbraw/zinc/56/11/63/459561163.db2.gz FETFPHYSTAKFQE-CVEARBPZSA-N 1 0 345.443 3.063 20 5 EGBDRO CC(C)n1cc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cn1 ZINC000542575019 459573065 /nfs/dbraw/zinc/57/30/65/459573065.db2.gz YHQMINMZGNKRFS-CHWSQXEVSA-N 1 0 345.403 3.050 20 5 EGBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CCC1=CCCCCC1 ZINC000583689488 459582066 /nfs/dbraw/zinc/58/20/66/459582066.db2.gz UHKZXZCIQYGWEF-MRXNPFEDSA-N 1 0 334.416 3.205 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@H](Cc2cnn(C)c2)C1 ZINC000527054884 459583347 /nfs/dbraw/zinc/58/33/47/459583347.db2.gz PMTFHVKIACWOJP-XYMPBJBSSA-N 1 0 340.427 3.296 20 5 EGBDRO COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000542702329 459584143 /nfs/dbraw/zinc/58/41/43/459584143.db2.gz XCGMHSNECXEHMA-AWOXUWAMSA-N 1 0 332.400 3.320 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H](n2cc(C)cn2)C1 ZINC000583784493 459595448 /nfs/dbraw/zinc/59/54/48/459595448.db2.gz GEONXYGSTWELMU-DVNIYVAHSA-N 1 0 326.400 3.450 20 5 EGBDRO Cc1cc(N2CCC([NH2+][C@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)n[nH]1 ZINC000527123377 459595640 /nfs/dbraw/zinc/59/56/40/459595640.db2.gz JFFLXZNMGUBQEG-CQSZACIVSA-N 1 0 343.431 3.254 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1ccc(CN2CC[C@H]3CC[NH2+][C@@H]3C2)o1 ZINC000592432382 459600283 /nfs/dbraw/zinc/60/02/83/459600283.db2.gz GKPMIMKUOOHATJ-CZUORRHYSA-N 1 0 327.384 3.039 20 5 EGBDRO CC(C)c1ccc(C(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)cc1[N+](=O)[O-] ZINC000592568945 459632526 /nfs/dbraw/zinc/63/25/26/459632526.db2.gz RLSIRVDJHZDBIP-AWEZNQCLSA-N 1 0 331.416 3.123 20 5 EGBDRO CCC[C@@H](C)[C@@H](CC)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000543599200 459674431 /nfs/dbraw/zinc/67/44/31/459674431.db2.gz RLRVETDFKYLYQP-CZUORRHYSA-N 1 0 342.461 3.173 20 5 EGBDRO CCC[C@H](C)[C@@H](CC)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000543599202 459674495 /nfs/dbraw/zinc/67/44/95/459674495.db2.gz RLRVETDFKYLYQP-XJKSGUPXSA-N 1 0 342.461 3.173 20 5 EGBDRO C[C@@H](O)[C@@H]1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000543748177 459694429 /nfs/dbraw/zinc/69/44/29/459694429.db2.gz JZXHIGOZZDZTJG-UKRRQHHQSA-N 1 0 330.384 3.448 20 5 EGBDRO CCCN(C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)[C@H]1CC[N@H+](C)C1 ZINC000592833284 459700610 /nfs/dbraw/zinc/70/06/10/459700610.db2.gz YDHWQKGGJSACTG-HNNXBMFYSA-N 1 0 347.459 3.449 20 5 EGBDRO O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000596619559 459701858 /nfs/dbraw/zinc/70/18/58/459701858.db2.gz JGSIOTNKLGGKRJ-SFHVURJKSA-N 1 0 339.395 3.413 20 5 EGBDRO Cc1cncc(CC[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000593029527 459746124 /nfs/dbraw/zinc/74/61/24/459746124.db2.gz BQUZBYDIGZRBNA-MRXNPFEDSA-N 1 0 326.400 3.115 20 5 EGBDRO CCC[N@H+](Cc1ccc(C)cc1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000573874166 459750396 /nfs/dbraw/zinc/75/03/96/459750396.db2.gz DARSOXFBAZYHBK-UHFFFAOYSA-N 1 0 341.411 3.414 20 5 EGBDRO Cc1ccc(NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])c(C[NH+](C)C)c1 ZINC000593063830 459761314 /nfs/dbraw/zinc/76/13/14/459761314.db2.gz OTHKHXOBBQEPSP-UHFFFAOYSA-N 1 0 345.374 3.285 20 5 EGBDRO CC(C)([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cccs1 ZINC000544465632 459762937 /nfs/dbraw/zinc/76/29/37/459762937.db2.gz WJUBJIKMSMIVLD-CQSZACIVSA-N 1 0 345.424 3.287 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000596837327 459774713 /nfs/dbraw/zinc/77/47/13/459774713.db2.gz FALRZHXFAUYYCL-AWEZNQCLSA-N 1 0 348.447 3.454 20 5 EGBDRO CC[N@H+](CCCNC(=O)Cc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000593250399 459820186 /nfs/dbraw/zinc/82/01/86/459820186.db2.gz LVLFEXWHDAOKSU-UHFFFAOYSA-N 1 0 347.459 3.298 20 5 EGBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H](c2cncc(F)c2)C2CC2)cc1 ZINC000545982646 459882728 /nfs/dbraw/zinc/88/27/28/459882728.db2.gz RJWIEKVIHLZILR-QGZVFWFLSA-N 1 0 331.347 3.249 20 5 EGBDRO C[C@H](O)C1([NH2+]Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)CC1 ZINC000597233874 459887695 /nfs/dbraw/zinc/88/76/95/459887695.db2.gz BQOYHQBHLPXCFR-AWEZNQCLSA-N 1 0 341.411 3.366 20 5 EGBDRO CC(C)(C)CC[NH+]1CCN(c2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000587405735 459892146 /nfs/dbraw/zinc/89/21/46/459892146.db2.gz XCVOHYMZVQQMFU-UHFFFAOYSA-N 1 0 349.460 3.158 20 5 EGBDRO CO[C@@H](C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)C1CCOCC1 ZINC000602441126 459938770 /nfs/dbraw/zinc/93/87/70/459938770.db2.gz UCIDPMNPGZROMU-SFHVURJKSA-N 1 0 334.416 3.001 20 5 EGBDRO C[C@@H]1CCC[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)[C@H]1C ZINC000602504465 459973425 /nfs/dbraw/zinc/97/34/25/459973425.db2.gz QNFGGKMWTNCBES-JKIFEVAISA-N 1 0 332.448 3.373 20 5 EGBDRO CC[N@@H+]1CCC[C@H](CNCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602525117 459982662 /nfs/dbraw/zinc/98/26/62/459982662.db2.gz QYEMQZVGHQZWPW-GFCCVEGCSA-N 1 0 345.365 3.435 20 5 EGBDRO CC(=O)N1CC[C@H]([NH2+]CCc2ccccc2[N+](=O)[O-])c2ccccc21 ZINC000598677428 459989362 /nfs/dbraw/zinc/98/93/62/459989362.db2.gz HAKIYCVHKZICJC-KRWDZBQOSA-N 1 0 339.395 3.225 20 5 EGBDRO CC[C@@H]1CCCC[N@@H+]1CCNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602545996 459992324 /nfs/dbraw/zinc/99/23/24/459992324.db2.gz AGMGEJBKQBNHOA-CYBMUJFWSA-N 1 0 332.404 3.090 20 5 EGBDRO C[C@@H](C[C@H]1CCOC1)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602566596 459999944 /nfs/dbraw/zinc/99/99/44/459999944.db2.gz FAXVYJQUDDBGCP-DTWKUNHWSA-N 1 0 349.250 3.324 20 5 EGBDRO CS[C@@H](C)C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602569965 460002787 /nfs/dbraw/zinc/00/27/87/460002787.db2.gz FFFIQMUZBPMCAT-LURJTMIESA-N 1 0 325.253 3.260 20 5 EGBDRO [NH3+][C@]12CCC[C@H]1CN(Cc1ccc(-c3ccccc3[N+](=O)[O-])o1)C2 ZINC000598719226 460004329 /nfs/dbraw/zinc/00/43/29/460004329.db2.gz MICWGGOGHPYHRN-UGSOOPFHSA-N 1 0 327.384 3.168 20 5 EGBDRO C[C@]1([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CCCOC1 ZINC000602606789 460019055 /nfs/dbraw/zinc/01/90/55/460019055.db2.gz XHRSNSISAGMDSB-NSHDSACASA-N 1 0 335.223 3.078 20 5 EGBDRO CC(C)(C[C@H]1CCC[N@@H+]([C@H]2CCc3c2cccc3[N+](=O)[O-])C1)C(N)=O ZINC000575880990 460025370 /nfs/dbraw/zinc/02/53/70/460025370.db2.gz CROPYKZBHMHTGI-CJNGLKHVSA-N 1 0 345.443 3.196 20 5 EGBDRO C[C@H]1COCC[C@@H]1C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602656972 460047003 /nfs/dbraw/zinc/04/70/03/460047003.db2.gz VLZMINOPGUGBSF-DTWKUNHWSA-N 1 0 349.250 3.181 20 5 EGBDRO CCOC(=O)c1ccc(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])o1 ZINC000589197755 460050317 /nfs/dbraw/zinc/05/03/17/460050317.db2.gz PCGZHHWYPYWVEX-ALCCZGGFSA-N 1 0 330.340 3.168 20 5 EGBDRO CC(C)c1cc(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)on1 ZINC000618568452 460064715 /nfs/dbraw/zinc/06/47/15/460064715.db2.gz UIISMPSAXJAFHL-ZFWWWQNUSA-N 1 0 333.392 3.176 20 5 EGBDRO COC1([C@@H](C)[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CCC1 ZINC000602690405 460066756 /nfs/dbraw/zinc/06/67/56/460066756.db2.gz LURJBVKIZSXYAG-MRVPVSSYSA-N 1 0 349.250 3.466 20 5 EGBDRO CC1(C)C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@H]1[C@@H]1CCCO1 ZINC000589272898 460067130 /nfs/dbraw/zinc/06/71/30/460067130.db2.gz SCBXWHNZGYQAAA-IRXDYDNUSA-N 1 0 334.416 3.253 20 5 EGBDRO CC(C)OC(=O)C[C@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])C(C)C ZINC000594038547 460067719 /nfs/dbraw/zinc/06/77/19/460067719.db2.gz BWKOUIGRWDBYQH-AWEZNQCLSA-N 1 0 326.368 3.190 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594095160 460099489 /nfs/dbraw/zinc/09/94/89/460099489.db2.gz TZPDHEYWZLFDQM-HOTGVXAUSA-N 1 0 332.404 3.042 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594099748 460101258 /nfs/dbraw/zinc/10/12/58/460101258.db2.gz KHHFPHYWUHCGRC-ZBFHGGJFSA-N 1 0 346.431 3.350 20 5 EGBDRO CC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])[C@@H](C)Cc1ccc(OC)cc1 ZINC000602776445 460120996 /nfs/dbraw/zinc/12/09/96/460120996.db2.gz QZTRTXNWXLPDEQ-AWEZNQCLSA-N 1 0 346.431 3.061 20 5 EGBDRO CC[C@@H](NC(=O)N[C@@H](C)C1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000610530144 460178016 /nfs/dbraw/zinc/17/80/16/460178016.db2.gz MGEFUTNHCBLVKG-SUMWQHHRSA-N 1 0 348.447 3.075 20 5 EGBDRO CC[C@](C)([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000602924236 460187748 /nfs/dbraw/zinc/18/77/48/460187748.db2.gz MLHXCCCNUBNOKW-SFHVURJKSA-N 1 0 345.374 3.248 20 5 EGBDRO CCC(C)(C)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000594388897 460201854 /nfs/dbraw/zinc/20/18/54/460201854.db2.gz CLGQBRRZDUSLHH-UHFFFAOYSA-N 1 0 333.432 3.158 20 5 EGBDRO CC[C@H](C[NH+]1CCCC1)Nc1ccc(C(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000610715943 460223475 /nfs/dbraw/zinc/22/34/75/460223475.db2.gz HYDLZPNYKCIGSF-OAHLLOKOSA-N 1 0 348.447 3.019 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CCc2c(O)cccc2C1 ZINC000599649040 460297960 /nfs/dbraw/zinc/29/79/60/460297960.db2.gz WUFWFNPGXOTPMV-UHFFFAOYSA-N 1 0 328.368 3.257 20 5 EGBDRO CCOc1ccc(NC(=O)C[N@H+](C)[C@H]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000603582079 460323967 /nfs/dbraw/zinc/32/39/67/460323967.db2.gz HAEHLXYZFFSFPV-KBPBESRZSA-N 1 0 349.431 3.443 20 5 EGBDRO CC(C)c1ccc(C[NH2+]C2CCN(C(=O)C3CC3)CC2)cc1[N+](=O)[O-] ZINC000603633185 460329263 /nfs/dbraw/zinc/32/92/63/460329263.db2.gz KEJPSYDHVHPKRA-UHFFFAOYSA-N 1 0 345.443 3.209 20 5 EGBDRO C[C@@H]1CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H]2CCCC[C@H]12 ZINC000603632975 460329479 /nfs/dbraw/zinc/32/94/79/460329479.db2.gz XBJRJSZLOGDGJJ-IWKCEXAMSA-N 1 0 348.443 3.235 20 5 EGBDRO COc1ccccc1[C@H](CNc1cccnc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000603839004 460345968 /nfs/dbraw/zinc/34/59/68/460345968.db2.gz CVIZTKASOREJTC-INIZCTEOSA-N 1 0 342.399 3.247 20 5 EGBDRO CC1CC[NH+](CCCCNc2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000603860387 460350601 /nfs/dbraw/zinc/35/06/01/460350601.db2.gz HJPCJOVFBQNTLY-UHFFFAOYSA-N 1 0 342.443 3.489 20 5 EGBDRO C[NH+](C)C1(CNC(=O)Nc2ccc([N+](=O)[O-])cc2)CCCCCC1 ZINC000603925940 460360243 /nfs/dbraw/zinc/36/02/43/460360243.db2.gz ZLJZEEJCJZRDDN-UHFFFAOYSA-N 1 0 334.420 3.371 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCc1ccc(CO)cc1)C1CC1 ZINC000611439374 460365001 /nfs/dbraw/zinc/36/50/01/460365001.db2.gz BPQHOAVQCDBNKK-LJQANCHMSA-N 1 0 340.423 3.241 20 5 EGBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(CC)C1CC[NH+](C)CC1 ZINC000599985865 460366525 /nfs/dbraw/zinc/36/65/25/460366525.db2.gz MGYKAZPDMODJTA-MRXNPFEDSA-N 1 0 347.459 3.106 20 5 EGBDRO Cc1cc(N2CCC(C[NH+](C)C)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000611444688 460367201 /nfs/dbraw/zinc/36/72/01/460367201.db2.gz FKMFANHPGQZASB-UHFFFAOYSA-N 1 0 328.416 3.229 20 5 EGBDRO C[N@@H+]1CC[C@H]2CCN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)[C@H]2C1 ZINC000611510229 460382324 /nfs/dbraw/zinc/38/23/24/460382324.db2.gz OWLLYWJGXCUVCW-YOEHRIQHSA-N 1 0 338.411 3.187 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCN(c2cc[nH+]cc2)CC1 ZINC000611516358 460384925 /nfs/dbraw/zinc/38/49/25/460384925.db2.gz LHADSLKKRLHNMT-OAHLLOKOSA-N 1 0 326.400 3.181 20 5 EGBDRO COc1cc(C[NH2+]C[C@H](C)C2CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000611519386 460386465 /nfs/dbraw/zinc/38/64/65/460386465.db2.gz LOVVZDKDCHUGGB-JTQLQIEISA-N 1 0 344.358 3.383 20 5 EGBDRO COC(=O)C1(C[NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)CCCC1 ZINC000615837639 460403817 /nfs/dbraw/zinc/40/38/17/460403817.db2.gz PHSJOPAHVBTZRX-GXDHUFHOSA-N 1 0 332.400 3.321 20 5 EGBDRO O=[N+]([O-])c1ncccc1NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000604512056 460438555 /nfs/dbraw/zinc/43/85/55/460438555.db2.gz SNBBXXGGJRCYAR-CYBMUJFWSA-N 1 0 332.429 3.375 20 5 EGBDRO COc1ccc(OCC[NH2+][C@@H](C)c2cnccc2C)c([N+](=O)[O-])c1 ZINC000611939764 460492318 /nfs/dbraw/zinc/49/23/18/460492318.db2.gz NVVSMCKWVCCCLC-ZDUSSCGKSA-N 1 0 331.372 3.036 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000601276260 460773666 /nfs/dbraw/zinc/77/36/66/460773666.db2.gz JIRKAJXPJYDCEB-BPUTZDHNSA-N 1 0 336.819 3.338 20 5 EGBDRO Cc1ncc([C@@H](C)[NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)s1 ZINC000601299252 460779611 /nfs/dbraw/zinc/77/96/11/460779611.db2.gz WKKGZLLXNUSOSB-WDEREUQCSA-N 1 0 348.428 3.428 20 5 EGBDRO Cc1c(-c2nc(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)no2)cccc1[N+](=O)[O-] ZINC000612954738 460782982 /nfs/dbraw/zinc/78/29/82/460782982.db2.gz PMSVKLLAKAPRLK-YHWZYXNKSA-N 1 0 328.372 3.293 20 5 EGBDRO Cc1sc(-c2nc(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)no2)cc1[N+](=O)[O-] ZINC000601966277 460965809 /nfs/dbraw/zinc/96/58/09/460965809.db2.gz ZPNBKBHJZJNGRP-FGWVZKOKSA-N 1 0 334.401 3.355 20 5 EGBDRO COc1ccc(NC(=O)C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000181814747 534081841 /nfs/dbraw/zinc/08/18/41/534081841.db2.gz RBQKFJHNPWLMFI-CYBMUJFWSA-N 1 0 343.383 3.201 20 5 EGBDRO CC(C)(C)[NH+]1CCC(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000265729082 534665791 /nfs/dbraw/zinc/66/57/91/534665791.db2.gz AMWHKQPKRLVZQC-UHFFFAOYSA-N 1 0 347.459 3.252 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]Cc1cccc(CO)c1)C1CC1 ZINC000177839018 534887518 /nfs/dbraw/zinc/88/75/18/534887518.db2.gz WVDSAPSSIGDDLQ-GOSISDBHSA-N 1 0 326.396 3.198 20 5 EGBDRO CC(=O)Nc1cccc(OCC[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000178654103 527076156 /nfs/dbraw/zinc/07/61/56/527076156.db2.gz RYRWDYYLGHSGFL-CYBMUJFWSA-N 1 0 343.383 3.283 20 5 EGBDRO CC1(CO)CC[NH+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000184071323 528000667 /nfs/dbraw/zinc/00/06/67/528000667.db2.gz DKKCMIFZFULSNE-UHFFFAOYSA-N 1 0 330.384 3.449 20 5 EGBDRO CC(C)c1ccc(C(=O)Nc2cc(C[NH+](C)C)ccn2)cc1[N+](=O)[O-] ZINC000187824985 528080016 /nfs/dbraw/zinc/08/00/16/528080016.db2.gz APUVCWKDGAMBFU-UHFFFAOYSA-N 1 0 342.399 3.427 20 5 EGBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000174758959 528182886 /nfs/dbraw/zinc/18/28/86/528182886.db2.gz JUDARDWOLOSMRS-GFCCVEGCSA-N 1 0 339.823 3.052 20 5 EGBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000344650523 536351503 /nfs/dbraw/zinc/35/15/03/536351503.db2.gz XYZAZEYWDODTAF-CQSZACIVSA-N 1 0 339.823 3.098 20 5 EGBDRO O=[N+]([O-])c1c(NCCCCC[NH+]2CCCCC2)nc2ccccn21 ZINC000732050038 575234073 /nfs/dbraw/zinc/23/40/73/575234073.db2.gz JGYDUSRISKOMJZ-UHFFFAOYSA-N 1 0 331.420 3.311 20 5 EGBDRO CC(C)OCCC[N@H+](C)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000740860368 576630524 /nfs/dbraw/zinc/63/05/24/576630524.db2.gz ZWCKXKIUQKRQIM-UHFFFAOYSA-N 1 0 332.404 3.163 20 5 EGBDRO O=C(C[N@@H+]1CCC[C@@H]2CCC[C@H]21)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000744409388 576827538 /nfs/dbraw/zinc/82/75/38/576827538.db2.gz PNKIPEHKBOJDEE-SMDDNHRTSA-N 1 0 337.807 3.451 20 5 EGBDRO CC(C)(C)OC(=O)CCC[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000744449725 576828794 /nfs/dbraw/zinc/82/87/94/576828794.db2.gz CWJHKOBJNVLMEB-UHFFFAOYSA-N 1 0 328.796 3.460 20 5 EGBDRO O=[N+]([O-])c1c(NC[C@@H](c2ccco2)[NH+]2CCCC2)nc2ccccn21 ZINC000029847933 1291337342 /nfs/dbraw/zinc/33/73/42/1291337342.db2.gz MVMUABIIOYAXRJ-ZDUSSCGKSA-N 1 0 341.371 3.085 20 5 EGBDRO C[C@@H](CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000067272158 1292157099 /nfs/dbraw/zinc/15/70/99/1292157099.db2.gz BVXIFXUZPZUPDC-LBPRGKRZSA-N 1 0 339.823 3.098 20 5 EGBDRO CC[N@H+](CCSC)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000830999402 1292798632 /nfs/dbraw/zinc/79/86/32/1292798632.db2.gz IKYFVKIZZNANOG-SNVBAGLBSA-N 1 0 345.852 3.260 20 5 EGBDRO CN(C)c1cc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)ccn1 ZINC000831539176 1292881160 /nfs/dbraw/zinc/88/11/60/1292881160.db2.gz OCAFPEWCHWPCHO-QGZVFWFLSA-N 1 0 340.427 3.435 20 5 EGBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000832271679 1292979547 /nfs/dbraw/zinc/97/95/47/1292979547.db2.gz CAWJVKWBNRHYIY-LBPRGKRZSA-N 1 0 341.839 3.407 20 5 EGBDRO [NH3+]CCCN(CC1CCCC1)C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000834771109 1293144425 /nfs/dbraw/zinc/14/44/25/1293144425.db2.gz OOYUZQJGKIKITB-UHFFFAOYSA-N 1 0 339.823 3.229 20 5 EGBDRO C[C@]1(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1(Cl)Cl ZINC000834885276 1293163513 /nfs/dbraw/zinc/16/35/13/1293163513.db2.gz UPFZRGWKCIJYNH-NTZNESFSSA-N 1 0 347.246 3.449 20 5 EGBDRO C[C@@H](OC(=O)CCC(C)(C)[N+](=O)[O-])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000835287247 1293252811 /nfs/dbraw/zinc/25/28/11/1293252811.db2.gz PUDSDJUPCUUIMF-WBVHZDCISA-N 1 0 348.443 3.276 20 5 EGBDRO CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000122346069 1293408730 /nfs/dbraw/zinc/40/87/30/1293408730.db2.gz CQOVBJZWCBQUFG-CVEARBPZSA-N 1 0 349.431 3.173 20 5 EGBDRO CS[C@@H]1CC[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000128645064 1293600475 /nfs/dbraw/zinc/60/04/75/1293600475.db2.gz JYDDWORJPIUKFY-RHSMWYFYSA-N 1 0 335.473 3.437 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)c1ccco1 ZINC000129692348 1293631251 /nfs/dbraw/zinc/63/12/51/1293631251.db2.gz SFPLQIILEAOBDM-LXZKKBNFSA-N 1 0 330.384 3.222 20 5 EGBDRO CCCCOCCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000132052234 1293707042 /nfs/dbraw/zinc/70/70/42/1293707042.db2.gz UIMRRTKWVCRWHX-UHFFFAOYSA-N 1 0 335.448 3.360 20 5 EGBDRO Cc1ccccc1OCCC[N@@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000136980797 1293824531 /nfs/dbraw/zinc/82/45/31/1293824531.db2.gz MIDSHZWUHGKRMI-GOSISDBHSA-N 1 0 344.411 3.338 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCSC3(CCCCC3)C2)c1 ZINC000137071238 1293825948 /nfs/dbraw/zinc/82/59/48/1293825948.db2.gz DTENTMGYIRTGCB-INIZCTEOSA-N 1 0 336.457 3.380 20 5 EGBDRO C[NH+](C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)c1ccccc1 ZINC000152699919 1293980909 /nfs/dbraw/zinc/98/09/09/1293980909.db2.gz BCGNESUNBUTBBU-MRXNPFEDSA-N 1 0 347.802 3.281 20 5 EGBDRO COCC[N@H+](C)CCCC1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000162584959 1294317839 /nfs/dbraw/zinc/31/78/39/1294317839.db2.gz RMAXZSAWZZEVET-UHFFFAOYSA-N 1 0 335.448 3.170 20 5 EGBDRO COc1cccc([C@@H](O)C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000178084241 1294714660 /nfs/dbraw/zinc/71/46/60/1294714660.db2.gz PYRVPUPFZYRENM-UGSOOPFHSA-N 1 0 330.384 3.296 20 5 EGBDRO CCc1ccc([C@H]([NH2+]C[C@H]2C[C@H](O)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000872125813 1296750756 /nfs/dbraw/zinc/75/07/56/1296750756.db2.gz HBGGYCGKNMWLTJ-CDHAZOANSA-N 1 0 330.384 3.200 20 5 EGBDRO O=[N+]([O-])c1c(Br)cccc1N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000312617372 1297118452 /nfs/dbraw/zinc/11/84/52/1297118452.db2.gz GKCYRTLFASNODL-WCQYABFASA-N 1 0 340.221 3.396 20 5 EGBDRO COc1ccc(COCC[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000873100171 1297273365 /nfs/dbraw/zinc/27/33/65/1297273365.db2.gz MFWZIWOVUKOLBT-UHFFFAOYSA-N 1 0 330.384 3.218 20 5 EGBDRO Cc1c(C[NH2+]Cc2ccc(C[S@](C)=O)cc2)cccc1[N+](=O)[O-] ZINC000873126272 1297284290 /nfs/dbraw/zinc/28/42/90/1297284290.db2.gz CMTBJLZOHWNWPY-QHCPKHFHSA-N 1 0 332.425 3.072 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](O)Cc2cccc(Cl)c2)c(F)c1 ZINC000873180064 1297329868 /nfs/dbraw/zinc/32/98/68/1297329868.db2.gz VJRHJWXWRKBLAR-OAHLLOKOSA-N 1 0 338.766 3.081 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000876922548 1299067731 /nfs/dbraw/zinc/06/77/31/1299067731.db2.gz CTOHSMOZDVZIAY-KRWDZBQOSA-N 1 0 345.443 3.062 20 5 EGBDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000750052462 1299331165 /nfs/dbraw/zinc/33/11/65/1299331165.db2.gz BOPDRVHGIPHOSM-SFHVURJKSA-N 1 0 343.402 3.440 20 5 EGBDRO CC[C@@]1(O)CCCN(Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000877692845 1299484590 /nfs/dbraw/zinc/48/45/90/1299484590.db2.gz WNWKRYBCYXGGHA-CQSZACIVSA-N 1 0 343.221 3.094 20 5 EGBDRO Cc1ccc([C@H](C)NC(=O)CCCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000752748724 1299787596 /nfs/dbraw/zinc/78/75/96/1299787596.db2.gz YEYRPNIFOIUSBM-HNNXBMFYSA-N 1 0 333.432 3.347 20 5 EGBDRO C[C@@H]1CCC[C@H]([N@H+](C)CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)C1 ZINC000752787090 1299794334 /nfs/dbraw/zinc/79/43/34/1299794334.db2.gz XVNIARIJKBBJLI-CABCVRRESA-N 1 0 346.431 3.305 20 5 EGBDRO C[C@H]1CCC[C@@H]([N@H+](C)CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)C1 ZINC000752787093 1299794614 /nfs/dbraw/zinc/79/46/14/1299794614.db2.gz XVNIARIJKBBJLI-LSDHHAIUSA-N 1 0 346.431 3.305 20 5 EGBDRO CC1CCC([N@H+](C)CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)CC1 ZINC000752789793 1299794656 /nfs/dbraw/zinc/79/46/56/1299794656.db2.gz POJRCQCTIBIHTH-UHFFFAOYSA-N 1 0 346.431 3.305 20 5 EGBDRO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)Cc1ccoc1 ZINC000753921563 1300039857 /nfs/dbraw/zinc/03/98/57/1300039857.db2.gz PYZMNEZETGPHHO-UHFFFAOYSA-N 1 0 335.335 3.178 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)s1 ZINC000754655349 1300184644 /nfs/dbraw/zinc/18/46/44/1300184644.db2.gz HSHUNRXMFNJCDG-JSGCOSHPSA-N 1 0 336.413 3.055 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])s1 ZINC000754679000 1300188797 /nfs/dbraw/zinc/18/87/97/1300188797.db2.gz OEGPYKZETVMHIC-CHWSQXEVSA-N 1 0 336.413 3.055 20 5 EGBDRO C[N@H+](C1CCCC1)C(C)(C)C(=O)OCc1ccc([N+](=O)[O-])cc1F ZINC000754874232 1300236934 /nfs/dbraw/zinc/23/69/34/1300236934.db2.gz QQDYGOGPWIRNRL-UHFFFAOYSA-N 1 0 338.379 3.430 20 5 EGBDRO COc1ccc([C@@H]2CN(Cc3cccc([N+](=O)[O-])c3C)CC[NH2+]2)cc1 ZINC000879522201 1300579536 /nfs/dbraw/zinc/57/95/36/1300579536.db2.gz VERQCLCLNGOPJO-SFHVURJKSA-N 1 0 341.411 3.058 20 5 EGBDRO Cc1nn(C[NH+]2CCc3ccccc3CC2)c2cc([N+](=O)[O-])ccc12 ZINC000761293101 1301436607 /nfs/dbraw/zinc/43/66/07/1301436607.db2.gz RDTDJCWRXKEKBE-UHFFFAOYSA-N 1 0 336.395 3.311 20 5 EGBDRO C[C@H](CNCc1ccc([N+](=O)[O-])c(Cl)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000761522345 1301490474 /nfs/dbraw/zinc/49/04/74/1301490474.db2.gz OOWJNYWHZGOTIX-CHWSQXEVSA-N 1 0 325.840 3.458 20 5 EGBDRO C[C@@H](c1ccncc1)[NH+]1CCC(Nc2ccnc(F)c2[N+](=O)[O-])CC1 ZINC000882124105 1301840003 /nfs/dbraw/zinc/84/00/03/1301840003.db2.gz NOJVNHNWTUSZBY-LBPRGKRZSA-N 1 0 345.378 3.161 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1ccc(-n2ccnc2)nc1 ZINC000764821221 1302141997 /nfs/dbraw/zinc/14/19/97/1302141997.db2.gz WYDCQTIFELYSKD-CQSZACIVSA-N 1 0 337.383 3.335 20 5 EGBDRO Cn1c(C(=O)Nc2ccc(C[NH+]3CCCCC3)cc2)ccc1[N+](=O)[O-] ZINC000882947656 1302176184 /nfs/dbraw/zinc/17/61/84/1302176184.db2.gz KTTLVRCQDFXZNY-UHFFFAOYSA-N 1 0 342.399 3.172 20 5 EGBDRO CC[C@H]([NH2+]C[C@@H](O)COc1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000765286837 1302237621 /nfs/dbraw/zinc/23/76/21/1302237621.db2.gz GPEBXEKPXJDOEP-AEFFLSMTSA-N 1 0 348.374 3.215 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)COc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000765289702 1302239211 /nfs/dbraw/zinc/23/92/11/1302239211.db2.gz NAHTWHGYRLCHGE-BBRMVZONSA-N 1 0 348.374 3.133 20 5 EGBDRO O=[N+]([O-])c1ncccc1C[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000886111666 1303358733 /nfs/dbraw/zinc/35/87/33/1303358733.db2.gz GMCFSAPHDPVTAA-WMLDXEAASA-N 1 0 327.384 3.247 20 5 EGBDRO COc1ccc(C[N@H+](C)[C@@H](CO)c2ccccc2C)cc1[N+](=O)[O-] ZINC000886432351 1303466183 /nfs/dbraw/zinc/46/61/83/1303466183.db2.gz WHUWAGXDZAZQOA-KRWDZBQOSA-N 1 0 330.384 3.077 20 5 EGBDRO C[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000774355002 1303801540 /nfs/dbraw/zinc/80/15/40/1303801540.db2.gz GHXMQJWYTCYZDF-WBMJQRKESA-N 1 0 349.431 3.475 20 5 EGBDRO O=[N+]([O-])c1ccc(CN2CC[C@@H]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000774904903 1303875541 /nfs/dbraw/zinc/87/55/41/1303875541.db2.gz XWSZNYZZAHTKSZ-OAHLLOKOSA-N 1 0 327.340 3.320 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)c1C ZINC000887649499 1303882915 /nfs/dbraw/zinc/88/29/15/1303882915.db2.gz WDUGREQSHIRLIZ-KRWDZBQOSA-N 1 0 341.411 3.244 20 5 EGBDRO CC(C)O[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1(C)C ZINC000775068230 1303899409 /nfs/dbraw/zinc/89/94/09/1303899409.db2.gz JCLSBWZMBSIPAT-HUUCEWRRSA-N 1 0 337.376 3.185 20 5 EGBDRO CC1(C)CCCN(CC[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000775184972 1303921100 /nfs/dbraw/zinc/92/11/00/1303921100.db2.gz UGUQBGWQBIRDPR-UHFFFAOYSA-N 1 0 325.840 3.460 20 5 EGBDRO Cn1ccnc1[C@H]1CCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000775189186 1303922470 /nfs/dbraw/zinc/92/24/70/1303922470.db2.gz DPQOIGMTCLVYRL-OUOZUETKSA-N 1 0 326.400 3.221 20 5 EGBDRO Cn1ccnc1[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000775205991 1303925562 /nfs/dbraw/zinc/92/55/62/1303925562.db2.gz RYILBZBRXXENIY-ZDUSSCGKSA-N 1 0 334.807 3.361 20 5 EGBDRO CC[C@](C)([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000775392187 1303955082 /nfs/dbraw/zinc/95/50/82/1303955082.db2.gz YZHCFVOVHMSMJU-HKUYNNGSSA-N 1 0 344.411 3.250 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCSC[C@@H]2c2ccccc2)cc1 ZINC000776582712 1304174449 /nfs/dbraw/zinc/17/44/49/1304174449.db2.gz ATLFMUUPXZHSOQ-MSOLQXFVSA-N 1 0 344.436 3.418 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H](c2ccccc2)c2ccccn2)cc1 ZINC000776587672 1304176855 /nfs/dbraw/zinc/17/68/55/1304176855.db2.gz YLDUTUUHBZGHSV-WOJBJXKFSA-N 1 0 349.390 3.402 20 5 EGBDRO CSC[C@@H]1CCC[N@@H+]1Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000777964536 1304374379 /nfs/dbraw/zinc/37/43/79/1304374379.db2.gz RQACWYMGMOPRNM-INIZCTEOSA-N 1 0 332.429 3.243 20 5 EGBDRO CC[C@H](C(=O)OCc1ccc([N+](=O)[O-])cc1Cl)[NH+](CC)CC ZINC000778093456 1304396130 /nfs/dbraw/zinc/39/61/30/1304396130.db2.gz WODKODFNVPFFOH-CQSZACIVSA-N 1 0 328.796 3.412 20 5 EGBDRO CC(C)[C@@H](Cc1ccccc1)[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000779027647 1304520687 /nfs/dbraw/zinc/52/06/87/1304520687.db2.gz QCOWTMPJBNZOLV-QGZVFWFLSA-N 1 0 341.411 3.390 20 5 EGBDRO CCC[N@H+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2OC(F)F)C1 ZINC000780911272 1304750914 /nfs/dbraw/zinc/75/09/14/1304750914.db2.gz KTDTWQIAKRDVRM-GFCCVEGCSA-N 1 0 343.374 3.364 20 5 EGBDRO C[C@@H](Nc1nc2ccccn2c1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000781393844 1304822858 /nfs/dbraw/zinc/82/28/58/1304822858.db2.gz HPEJKKFEPSFDJX-KGLIPLIRSA-N 1 0 343.431 3.307 20 5 EGBDRO CCC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CC(C)C ZINC000782479974 1304980985 /nfs/dbraw/zinc/98/09/85/1304980985.db2.gz IZXHKUVFRQTZMK-UHFFFAOYSA-N 1 0 325.384 3.431 20 5 EGBDRO COC(=O)[C@@H]1CC12CC[NH+](Cc1ccc([N+](=O)[O-])c(Cl)c1)CC2 ZINC000783567616 1305108970 /nfs/dbraw/zinc/10/89/70/1305108970.db2.gz UUFNXPIWXOUIHO-LBPRGKRZSA-N 1 0 338.791 3.023 20 5 EGBDRO CN(C)C(=O)c1cccc(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)c1 ZINC000783595138 1305113384 /nfs/dbraw/zinc/11/33/84/1305113384.db2.gz IVZPAOOUFOLWDZ-UHFFFAOYSA-N 1 0 347.802 3.240 20 5 EGBDRO C[C@H]1C[N@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)CC(C)(C)C1 ZINC000784006160 1305174444 /nfs/dbraw/zinc/17/44/44/1305174444.db2.gz DAALJJIHXTVZIS-CYBMUJFWSA-N 1 0 329.404 3.179 20 5 EGBDRO COc1c(O)ccc(C[NH2+][C@H]2CCCc3ccccc32)c1[N+](=O)[O-] ZINC000892422804 1305366013 /nfs/dbraw/zinc/36/60/13/1305366013.db2.gz IXEPJOQQXABHSD-HNNXBMFYSA-N 1 0 328.368 3.476 20 5 EGBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@@H]3CCc4ccccc43)CC2)n1 ZINC000785855643 1305455477 /nfs/dbraw/zinc/45/54/77/1305455477.db2.gz MPHAIGGYFWPCFH-HNNXBMFYSA-N 1 0 326.400 3.158 20 5 EGBDRO CC(C)[NH+]1CCC(C(=O)N2CCCCc3cc([N+](=O)[O-])ccc32)CC1 ZINC000892854858 1305579188 /nfs/dbraw/zinc/57/91/88/1305579188.db2.gz OJDRTGCPBGKTML-UHFFFAOYSA-N 1 0 345.443 3.385 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@](C)(O)c1ccccc1 ZINC000786811994 1305633882 /nfs/dbraw/zinc/63/38/82/1305633882.db2.gz GCOXNMVNASIQMZ-ILCZHQDMSA-N 1 0 326.396 3.495 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C1CN(C(=O)OC(C)(C)C)C1 ZINC000786818447 1305634920 /nfs/dbraw/zinc/63/49/20/1305634920.db2.gz YHPITIJQPYHFQN-JYRVWZFOSA-N 1 0 347.415 3.207 20 5 EGBDRO COc1c(O)ccc(C[NH2+]C[C@@H](C)Oc2ccccc2C)c1[N+](=O)[O-] ZINC000893060391 1305683531 /nfs/dbraw/zinc/68/35/31/1305683531.db2.gz KLUMGWLGOXWIOS-CYBMUJFWSA-N 1 0 346.383 3.175 20 5 EGBDRO COc1c(O)ccc(C[NH2+]C[C@H](c2cccnc2)C(C)C)c1[N+](=O)[O-] ZINC000893102344 1305707908 /nfs/dbraw/zinc/70/79/08/1305707908.db2.gz RWDCVIZYCPKNKR-HNNXBMFYSA-N 1 0 345.399 3.233 20 5 EGBDRO CC1CC[NH+](CCNC(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000787810556 1305798504 /nfs/dbraw/zinc/79/85/04/1305798504.db2.gz GQCKCSNVRGPONC-UHFFFAOYSA-N 1 0 340.811 3.102 20 5 EGBDRO C[C@H](C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)N(C)Cc1ccccc1 ZINC000788593871 1305977484 /nfs/dbraw/zinc/97/74/84/1305977484.db2.gz SMRPSYIHXXSKKP-CABCVRRESA-N 1 0 342.443 3.348 20 5 EGBDRO COc1ccc2c(c1)[C@@H]([NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)CCO2 ZINC000788748832 1306007987 /nfs/dbraw/zinc/00/79/87/1306007987.db2.gz BWWIMYWEPGLDQR-BZNIZROVSA-N 1 0 343.383 3.360 20 5 EGBDRO COc1c(O)ccc(CN2CCC[C@@H](CC(F)(F)F)C2)c1[N+](=O)[O-] ZINC000894976808 1309141038 /nfs/dbraw/zinc/14/10/38/1309141038.db2.gz SBWSUWGBPAQOOD-JTQLQIEISA-N 1 0 348.321 3.473 20 5 EGBDRO C[C@@H]1CC[N@H+](Cn2c(=O)oc3cccc([N+](=O)[O-])c32)[C@H]2CCCC[C@H]12 ZINC000794619320 1309557079 /nfs/dbraw/zinc/55/70/79/1309557079.db2.gz IAIBDJUGJAOVKY-MCIONIFRSA-N 1 0 345.399 3.361 20 5 EGBDRO CCC(=O)c1ccc(N2CCC[N@@H+](C(C)(C)C)CC2)c([N+](=O)[O-])c1 ZINC000795080083 1309662799 /nfs/dbraw/zinc/66/27/99/1309662799.db2.gz JRXGHNQPWRYULH-UHFFFAOYSA-N 1 0 333.432 3.498 20 5 EGBDRO CC(C)([NH2+]C[C@@H](O)c1ccc(F)c(F)c1)c1ccccc1[N+](=O)[O-] ZINC000795219333 1309699550 /nfs/dbraw/zinc/69/95/50/1309699550.db2.gz FMXFPXFNSRKSJH-MRXNPFEDSA-N 1 0 336.338 3.431 20 5 EGBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)OCC[C@@H]1CCCC[N@@H+]1C ZINC000795713062 1309815153 /nfs/dbraw/zinc/81/51/53/1309815153.db2.gz VRAPIQBVPOPJAJ-ZDUSSCGKSA-N 1 0 336.388 3.025 20 5 EGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000896410122 1309847287 /nfs/dbraw/zinc/84/72/87/1309847287.db2.gz XNTCISRHBUVDGG-OCCSQVGLSA-N 1 0 330.306 3.271 20 5 EGBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]CC1CC2(C1)OCCO2 ZINC000896908417 1310079748 /nfs/dbraw/zinc/07/97/48/1310079748.db2.gz ASBIZSZATGWBCI-UHFFFAOYSA-N 1 0 347.198 3.144 20 5 EGBDRO CC(C)N(CC[NH+](C)C)c1ccc([N+](=O)[O-])cc1Br ZINC000798398654 1310354855 /nfs/dbraw/zinc/35/48/55/1310354855.db2.gz TZHPAYVFCRRPJK-UHFFFAOYSA-N 1 0 330.226 3.134 20 5 EGBDRO CN(CCC[NH+]1CCCC1)C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000799212714 1310513341 /nfs/dbraw/zinc/51/33/41/1310513341.db2.gz XNTMQKVITWKNAA-UHFFFAOYSA-N 1 0 340.811 3.198 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)C[NH+]2CCC(C)CC2)c1C ZINC000898787685 1310844365 /nfs/dbraw/zinc/84/43/65/1310844365.db2.gz YACWBZGMFKFGIR-CQSZACIVSA-N 1 0 333.432 3.062 20 5 EGBDRO C[N@H+](CCC(=O)OCc1ccccc1)CCc1cccc([N+](=O)[O-])c1 ZINC000801600997 1310972989 /nfs/dbraw/zinc/97/29/89/1310972989.db2.gz XXEVACUZOWBHBI-UHFFFAOYSA-N 1 0 342.395 3.203 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000801600606 1310973220 /nfs/dbraw/zinc/97/32/20/1310973220.db2.gz RNTKGRVPFRWOHM-UHFFFAOYSA-N 1 0 345.355 3.186 20 5 EGBDRO Cc1c(NC(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)cccc1[N+](=O)[O-] ZINC000929223246 1328541033 /nfs/dbraw/zinc/54/10/33/1328541033.db2.gz SITUTCANNXCXQT-OAHLLOKOSA-N 1 0 346.431 3.099 20 5 EGBDRO CC1(C)CN(c2ccc(N)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000804432207 1317236185 /nfs/dbraw/zinc/23/61/85/1317236185.db2.gz VKLSZXLQTQLBNR-UHFFFAOYSA-N 1 0 340.427 3.278 20 5 EGBDRO CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)CC1CCN(C(=O)C2CC2)CC1 ZINC000957658955 1317529478 /nfs/dbraw/zinc/52/94/78/1317529478.db2.gz MUOVKBSMWLFEFJ-UHFFFAOYSA-N 1 0 345.443 3.065 20 5 EGBDRO Cc1ncccc1CC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000903414478 1317698079 /nfs/dbraw/zinc/69/80/79/1317698079.db2.gz BIPBSHCKLKZXQY-SFHVURJKSA-N 1 0 325.412 3.452 20 5 EGBDRO CC1(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)CCCCC1 ZINC001020542906 1317757095 /nfs/dbraw/zinc/75/70/95/1317757095.db2.gz XUOBWWDMPUOTJU-WKILWMFISA-N 1 0 345.443 3.302 20 5 EGBDRO OCc1cn(CCC[NH2+]Cc2c3ccccc3cc3ccccc32)nn1 ZINC000810163113 1317966796 /nfs/dbraw/zinc/96/67/96/1317966796.db2.gz XWWFBSQYZUDTQD-UHFFFAOYSA-N 1 0 346.434 3.257 20 5 EGBDRO C[C@@H]([NH2+][C@@H](C)C(=O)N1CCc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000905852654 1318007278 /nfs/dbraw/zinc/00/72/78/1318007278.db2.gz LUDSXWAFAUKMLO-KGLIPLIRSA-N 1 0 339.395 3.223 20 5 EGBDRO C[C@@H]([NH2+][C@@H]1CCCN(CC(C)(C)C)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000905852836 1318007336 /nfs/dbraw/zinc/00/73/36/1318007336.db2.gz NKDJYYDBXGWTII-CZUORRHYSA-N 1 0 333.432 3.283 20 5 EGBDRO CSc1cccc(C(=O)O[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000810842783 1318063628 /nfs/dbraw/zinc/06/36/28/1318063628.db2.gz ULECLVZBSUHJRA-NWDGAFQWSA-N 1 0 336.413 3.100 20 5 EGBDRO CC[N@@H+]1CCC[C@H]1CNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811471477 1318181041 /nfs/dbraw/zinc/18/10/41/1318181041.db2.gz COZCXILBTCYNMJ-LBPRGKRZSA-N 1 0 332.231 3.476 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC1CCC2(CC1)CC[NH+](C)CC2 ZINC000908501377 1318355784 /nfs/dbraw/zinc/35/57/84/1318355784.db2.gz GSARUHMYIYIDKX-UHFFFAOYSA-N 1 0 345.443 3.288 20 5 EGBDRO COc1cc(C(=O)Nc2ccc(C[NH+](C)C)cc2C)ccc1[N+](=O)[O-] ZINC000909612933 1318502557 /nfs/dbraw/zinc/50/25/57/1318502557.db2.gz QXAXHTPZBAVNFQ-UHFFFAOYSA-N 1 0 343.383 3.226 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCO[C@@H]2CCCCO2)o1 ZINC000813334055 1318535757 /nfs/dbraw/zinc/53/57/57/1318535757.db2.gz VQWGAFVXJMECBI-GOSISDBHSA-N 1 0 346.383 3.488 20 5 EGBDRO C[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1Cl)[N@@H+]1CCCC[C@H]1C ZINC000858478609 1328773774 /nfs/dbraw/zinc/77/37/74/1328773774.db2.gz VVOHJYAVAMVRSJ-NEPJUHHUSA-N 1 0 339.823 3.241 20 5 EGBDRO O=C(NCC[NH2+]C1CCCCCC1)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000911841033 1318770338 /nfs/dbraw/zinc/77/03/38/1318770338.db2.gz OMHIIILISYVZRC-MSOLQXFVSA-N 1 0 345.443 3.127 20 5 EGBDRO C[C@@H]([NH2+][C@H]1CCCN(c2ccccc2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815580619 1319021438 /nfs/dbraw/zinc/02/14/38/1319021438.db2.gz NJRAIYAXICBEJM-ZBFHGGJFSA-N 1 0 340.427 3.497 20 5 EGBDRO C[C@H]([NH2+]CCCCC(=O)OC(C)(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815600373 1319026454 /nfs/dbraw/zinc/02/64/54/1319026454.db2.gz RQMXANQMGXHVSQ-LBPRGKRZSA-N 1 0 337.420 3.340 20 5 EGBDRO C[C@@H]([NH2+]CC1(c2ccccn2)CCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815626243 1319030532 /nfs/dbraw/zinc/03/05/32/1319030532.db2.gz ZGRRADXQWWOBPW-CYBMUJFWSA-N 1 0 326.400 3.345 20 5 EGBDRO C[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1Cl)[N@@H+]1CCC[C@@H](C)C1 ZINC000816871846 1319237400 /nfs/dbraw/zinc/23/74/00/1319237400.db2.gz VKGVVNOKWNKZRG-VXGBXAGGSA-N 1 0 339.823 3.098 20 5 EGBDRO C[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1Cl)[NH+]1CCC(C)CC1 ZINC000816908177 1319244935 /nfs/dbraw/zinc/24/49/35/1319244935.db2.gz UDRNKJLZYBFAHQ-LBPRGKRZSA-N 1 0 339.823 3.098 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000930317941 1328832247 /nfs/dbraw/zinc/83/22/47/1328832247.db2.gz YNPPTVRWTLSQLW-CQSZACIVSA-N 1 0 334.420 3.065 20 5 EGBDRO CCn1nc(C)c(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])n1 ZINC000818345967 1319533193 /nfs/dbraw/zinc/53/31/93/1319533193.db2.gz YXXGIXZJPQSAJH-GOEBONIOSA-N 1 0 343.431 3.016 20 5 EGBDRO CCN(CC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1C ZINC000818959652 1319590875 /nfs/dbraw/zinc/59/08/75/1319590875.db2.gz PVCXWWRMMQYHOF-LJQANCHMSA-N 1 0 343.427 3.053 20 5 EGBDRO COc1ccccc1C(C)(C)C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818984610 1319606052 /nfs/dbraw/zinc/60/60/52/1319606052.db2.gz JFSZEKAQSDPZSQ-KRWDZBQOSA-N 1 0 344.411 3.204 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H](c2ccccc2)[C@H]2CCCO2)cc1 ZINC000819002261 1319612055 /nfs/dbraw/zinc/61/20/55/1319612055.db2.gz UAFQDNLJTGKMCN-GUDVDZBRSA-N 1 0 342.395 3.138 20 5 EGBDRO Cc1ccc(C[C@H](C)[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000819042242 1319620337 /nfs/dbraw/zinc/62/03/37/1319620337.db2.gz LNGNSJSUZLSHHL-KXBFYZLASA-N 1 0 328.412 3.466 20 5 EGBDRO Cc1ccc(C[C@@H](C)[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000819042671 1319620374 /nfs/dbraw/zinc/62/03/74/1319620374.db2.gz RABGAXWOWVWIOB-BEFAXECRSA-N 1 0 328.412 3.466 20 5 EGBDRO CC(C)c1ccccc1OCC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819055289 1319623432 /nfs/dbraw/zinc/62/34/32/1319623432.db2.gz RPDYIICUEHNXCR-SFHVURJKSA-N 1 0 344.411 3.420 20 5 EGBDRO CC(C)(C)[C@@H]1OCCC[C@H]1C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819082281 1319631255 /nfs/dbraw/zinc/63/12/55/1319631255.db2.gz WMXRZJUAUPDARI-USXIJHARSA-N 1 0 336.432 3.059 20 5 EGBDRO O=[N+]([O-])c1ccccc1CC[NH2+]C[C@H](O)c1ccc(F)cc1Cl ZINC000819111465 1319638512 /nfs/dbraw/zinc/63/85/12/1319638512.db2.gz PECYOGIWAANQPH-INIZCTEOSA-N 1 0 338.766 3.253 20 5 EGBDRO C[C@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)Sc1ccccc1 ZINC000819116036 1319640560 /nfs/dbraw/zinc/64/05/60/1319640560.db2.gz MDYAMFVVQXIDKJ-CXAGYDPISA-N 1 0 332.425 3.399 20 5 EGBDRO CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000930359721 1328841693 /nfs/dbraw/zinc/84/16/93/1328841693.db2.gz DVLCINGUQQYEJG-JCGIZDLHSA-N 1 0 347.459 3.325 20 5 EGBDRO CCO[C@H](CC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000819128669 1319643550 /nfs/dbraw/zinc/64/35/50/1319643550.db2.gz PQSLQKSGCMTQTR-ZWKOTPCHSA-N 1 0 336.432 3.203 20 5 EGBDRO CC[NH+](CC)CCC[C@H](C)NC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000930359722 1328841962 /nfs/dbraw/zinc/84/19/62/1328841962.db2.gz DVLCINGUQQYEJG-QGTPRVQTSA-N 1 0 347.459 3.325 20 5 EGBDRO CSCc1cccc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000819253038 1319680008 /nfs/dbraw/zinc/68/00/08/1319680008.db2.gz LONAFCZJKJGUKA-KRWDZBQOSA-N 1 0 332.425 3.281 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CC[C@@H]2CCc3ccccc32)c1 ZINC000819339209 1319702835 /nfs/dbraw/zinc/70/28/35/1319702835.db2.gz LTEHISJAHOHIDM-KXBFYZLASA-N 1 0 326.396 3.338 20 5 EGBDRO C[C@H]1C[C@H](C)C[NH+](CCCCNc2nc3ccccn3c2[N+](=O)[O-])C1 ZINC000917075169 1319750741 /nfs/dbraw/zinc/75/07/41/1319750741.db2.gz IJYMJLMEIVSIIY-GJZGRUSLSA-N 1 0 345.447 3.413 20 5 EGBDRO Nc1ccc(NC(=O)c2cccc(C[NH+]3CCCC3)c2)cc1[N+](=O)[O-] ZINC000819894027 1319795617 /nfs/dbraw/zinc/79/56/17/1319795617.db2.gz ZRUBQHVPYNIUDG-UHFFFAOYSA-N 1 0 340.383 3.025 20 5 EGBDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000822156730 1320058487 /nfs/dbraw/zinc/05/84/87/1320058487.db2.gz WEHRXMGJCILYKI-CYBMUJFWSA-N 1 0 337.395 3.118 20 5 EGBDRO Cc1cc(-c2noc(CC3(C[NH3+])CCCCC3)n2)cc([N+](=O)[O-])c1 ZINC000823270397 1320166622 /nfs/dbraw/zinc/16/66/22/1320166622.db2.gz RRXCERYPBADSIF-UHFFFAOYSA-N 1 0 330.388 3.405 20 5 EGBDRO CN(C)C(=O)C1([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CCCCC1 ZINC000824716693 1320280027 /nfs/dbraw/zinc/28/00/27/1320280027.db2.gz XRFBIDKRHPRCIP-UHFFFAOYSA-N 1 0 339.823 3.129 20 5 EGBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000825529614 1320345246 /nfs/dbraw/zinc/34/52/46/1320345246.db2.gz KLSSASREFFVTER-RYUDHWBXSA-N 1 0 339.823 3.098 20 5 EGBDRO C[C@@H](CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[NH+]1CCC(C)CC1 ZINC000825595846 1320348908 /nfs/dbraw/zinc/34/89/08/1320348908.db2.gz TYZLPBFFKSEPMU-LBPRGKRZSA-N 1 0 339.823 3.098 20 5 EGBDRO C[NH+](C)CCCC(C)(C)NC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000836365679 1320478551 /nfs/dbraw/zinc/47/85/51/1320478551.db2.gz HFNJZERPYNYQLP-UHFFFAOYSA-N 1 0 342.827 3.490 20 5 EGBDRO C[C@@H]([N@H+](C)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C1(C)CC1 ZINC000839502228 1320929628 /nfs/dbraw/zinc/92/96/28/1320929628.db2.gz KIMCXPZRKANIDI-SNVBAGLBSA-N 1 0 325.796 3.307 20 5 EGBDRO COc1cc(OCC[NH+](C)C)ccc1NCc1cccc([N+](=O)[O-])c1 ZINC000840958443 1321186171 /nfs/dbraw/zinc/18/61/71/1321186171.db2.gz LAQWCEOUAQHOBN-UHFFFAOYSA-N 1 0 345.399 3.156 20 5 EGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@@H](CO)c1ccc(F)cc1 ZINC000840962503 1321188253 /nfs/dbraw/zinc/18/82/53/1321188253.db2.gz HVQWWBGZNAMQFJ-ZDUSSCGKSA-N 1 0 338.766 3.253 20 5 EGBDRO Cc1cc(N)cc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000841070730 1321213063 /nfs/dbraw/zinc/21/30/63/1321213063.db2.gz IEMJQWKMEIGBKT-UHFFFAOYSA-N 1 0 340.427 3.244 20 5 EGBDRO C[NH2+][C@H](CC(C)(C)C)c1nc(Cc2cc(OC)ccc2[N+](=O)[O-])no1 ZINC000843222209 1321490672 /nfs/dbraw/zinc/49/06/72/1321490672.db2.gz DUQVQIJJPSLAGZ-CYBMUJFWSA-N 1 0 348.403 3.274 20 5 EGBDRO C[NH2+][C@@H](CC(C)(C)C)c1nc(Cc2cc(OC)ccc2[N+](=O)[O-])no1 ZINC000843222210 1321491123 /nfs/dbraw/zinc/49/11/23/1321491123.db2.gz DUQVQIJJPSLAGZ-ZDUSSCGKSA-N 1 0 348.403 3.274 20 5 EGBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@H](C)[C@H]([NH3+])c1ccccc1)CC2 ZINC000843495896 1321522927 /nfs/dbraw/zinc/52/29/27/1321522927.db2.gz XDACZONRJXFBKI-ACJLOTCBSA-N 1 0 339.395 3.128 20 5 EGBDRO O=[N+]([O-])c1cc(F)c(Cl)cc1N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000845494368 1321712560 /nfs/dbraw/zinc/71/25/60/1321712560.db2.gz PSDDUNIMDZQPFD-NSHDSACASA-N 1 0 327.787 3.309 20 5 EGBDRO Cn1cc([C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])c(F)c3)CC2(C)C)cn1 ZINC000846932720 1321825952 /nfs/dbraw/zinc/82/59/52/1321825952.db2.gz SEIIXMFRPBAHJA-AWEZNQCLSA-N 1 0 332.379 3.093 20 5 EGBDRO C[C@@H](COC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)[NH+]1CCCCC1 ZINC000847963796 1321917128 /nfs/dbraw/zinc/91/71/28/1321917128.db2.gz SVCPFYXFYIRWAJ-STQMWFEESA-N 1 0 338.379 3.255 20 5 EGBDRO C[C@H](COC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH+]1CCCCC1 ZINC000847963853 1321917448 /nfs/dbraw/zinc/91/74/48/1321917448.db2.gz UTPKLZMBHQBGOH-CYBMUJFWSA-N 1 0 345.399 3.036 20 5 EGBDRO CCC(C)(C)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000848302823 1321949960 /nfs/dbraw/zinc/94/99/60/1321949960.db2.gz PCBFEKHPTULKEL-UHFFFAOYSA-N 1 0 339.823 3.195 20 5 EGBDRO C[C@@](O)(C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc(F)cc1 ZINC000848537116 1321972069 /nfs/dbraw/zinc/97/20/69/1321972069.db2.gz ZYIGHBXALHHIDY-SJLPKXTDSA-N 1 0 330.359 3.219 20 5 EGBDRO C[C@H](C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000848549855 1321974321 /nfs/dbraw/zinc/97/43/21/1321974321.db2.gz WATFITWPHWXTBH-RISCZKNCSA-N 1 0 335.404 3.085 20 5 EGBDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000920744978 1322215942 /nfs/dbraw/zinc/21/59/42/1322215942.db2.gz QRXIQKJWVILKGT-MEODZPNASA-N 1 0 345.443 3.235 20 5 EGBDRO Cc1ccc(C[NH2+]C[C@H](O)c2cc(F)c(F)c(F)c2)cc1[N+](=O)[O-] ZINC000850418363 1322243781 /nfs/dbraw/zinc/24/37/81/1322243781.db2.gz GMVJQXGFHFOUEX-HNNXBMFYSA-N 1 0 340.301 3.144 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCNc1cccc(C)n1 ZINC000850445582 1322250904 /nfs/dbraw/zinc/25/09/04/1322250904.db2.gz UPSARMLEAGTZRR-ZDUSSCGKSA-N 1 0 330.388 3.070 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccc2c(c1)ncn2C ZINC000922483259 1322539296 /nfs/dbraw/zinc/53/92/96/1322539296.db2.gz WMXFCOXZXWLETJ-UHFFFAOYSA-N 1 0 340.383 3.170 20 5 EGBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2Cl)C1 ZINC000859701735 1329057838 /nfs/dbraw/zinc/05/78/38/1329057838.db2.gz HHFAYHAMUIFCQJ-LBPRGKRZSA-N 1 0 339.823 3.052 20 5 EGBDRO C[C@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])c1ccc2c(c1)CC(=O)N2C ZINC000851899734 1323109878 /nfs/dbraw/zinc/10/98/78/1323109878.db2.gz DQQPSALCXHQRDC-NSHDSACASA-N 1 0 343.358 3.104 20 5 EGBDRO Cc1noc(CN2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c1[N+](=O)[O-] ZINC000852135705 1323153194 /nfs/dbraw/zinc/15/31/94/1323153194.db2.gz RHBIXJLVKLXCIE-CYBMUJFWSA-N 1 0 346.343 3.179 20 5 EGBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000925234226 1325090300 /nfs/dbraw/zinc/09/03/00/1325090300.db2.gz AZLRSMNKIDKIQR-VBQJREDUSA-N 1 0 348.447 3.170 20 5 EGBDRO CCC[C@@H]1CCCN(Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)C1 ZINC000853500984 1325105751 /nfs/dbraw/zinc/10/57/51/1325105751.db2.gz BHTZGBKOHVXCCG-CQSZACIVSA-N 1 0 329.404 3.323 20 5 EGBDRO CC(C)(C)[C@H]1CC[N@H+](Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)C1 ZINC000853505740 1325107456 /nfs/dbraw/zinc/10/74/56/1325107456.db2.gz ANCVWRMJAYDJGA-ZDUSSCGKSA-N 1 0 329.404 3.179 20 5 EGBDRO CC(=O)N[C@H](c1ccccc1F)[C@H](C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000925311637 1325120384 /nfs/dbraw/zinc/12/03/84/1325120384.db2.gz SLHMDPOJQHLXHK-SGTLLEGYSA-N 1 0 345.374 3.089 20 5 EGBDRO Cc1nn(C[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)c2ncc([N+](=O)[O-])cc12 ZINC000853634059 1325137130 /nfs/dbraw/zinc/13/71/30/1325137130.db2.gz JDWHXYNFSKFOKY-BBRMVZONSA-N 1 0 329.404 3.260 20 5 EGBDRO COc1cc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)c([N+](=O)[O-])cc1C ZINC000853644498 1325140256 /nfs/dbraw/zinc/14/02/56/1325140256.db2.gz OYFRJUDEABWUEO-ZDUSSCGKSA-N 1 0 333.432 3.222 20 5 EGBDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000855898675 1325427696 /nfs/dbraw/zinc/42/76/96/1325427696.db2.gz SHUHUDAJIBQELB-LBPRGKRZSA-N 1 0 339.823 3.098 20 5 EGBDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000855898884 1325428002 /nfs/dbraw/zinc/42/80/02/1325428002.db2.gz XTJLWGCELWMGDW-LBPRGKRZSA-N 1 0 339.823 3.098 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000929119880 1328510460 /nfs/dbraw/zinc/51/04/60/1328510460.db2.gz ULRMTHNRMCLKQN-UHFFFAOYSA-N 1 0 346.431 3.243 20 5 EGBDRO Cc1ccc(C[N@@H+](C)C[C@@H](C)NC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000862540836 1329494414 /nfs/dbraw/zinc/49/44/14/1329494414.db2.gz KVUBTQPDXDHNDZ-CYBMUJFWSA-N 1 0 337.420 3.248 20 5 EGBDRO O=[N+]([O-])c1cc(CO)c(NCCCCC[NH+]2CCCCC2)cc1F ZINC000865533684 1329710305 /nfs/dbraw/zinc/71/03/05/1329710305.db2.gz PKYLYCNGWPSNTK-UHFFFAOYSA-N 1 0 339.411 3.294 20 5 EGBDRO C[NH+](C)CCOC1CCN(c2ccc([N+](=O)[O-])cc2C(F)F)CC1 ZINC000865536139 1329710453 /nfs/dbraw/zinc/71/04/53/1329710453.db2.gz WOPCTULLDGTHMG-UHFFFAOYSA-N 1 0 343.374 3.079 20 5 EGBDRO C[C@@H]([NH2+]CC(=O)N(C1CC1)C1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000932179674 1329791421 /nfs/dbraw/zinc/79/14/21/1329791421.db2.gz KTNHOBMBFASJSR-CYBMUJFWSA-N 1 0 331.416 3.179 20 5 EGBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000933621335 1329906679 /nfs/dbraw/zinc/90/66/79/1329906679.db2.gz AGCFMYNIXJIWSO-JQHSSLGASA-N 1 0 345.443 3.031 20 5 EGBDRO C[NH+]1CCC2(CCN(c3nc4ccccc4cc3[N+](=O)[O-])CC2)CC1 ZINC000866054479 1330060127 /nfs/dbraw/zinc/06/01/27/1330060127.db2.gz CJIMIGIFEDIKPS-UHFFFAOYSA-N 1 0 340.427 3.455 20 5 EGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H](O)c1ccccc1F ZINC000866239274 1330083235 /nfs/dbraw/zinc/08/32/35/1330083235.db2.gz TYRFBTHHUIYYJC-DIFFPNOSSA-N 1 0 336.338 3.127 20 5 EGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H](O)c1ccccc1F ZINC000866239272 1330083439 /nfs/dbraw/zinc/08/34/39/1330083439.db2.gz TYRFBTHHUIYYJC-APPDUMDISA-N 1 0 336.338 3.127 20 5 EGBDRO Cc1cccc2nc(C[NH2+][C@@H](C)Cc3ccc(F)cc3[N+](=O)[O-])cn21 ZINC000866262173 1330087102 /nfs/dbraw/zinc/08/71/02/1330087102.db2.gz JLQPXFYBYCFKHK-LBPRGKRZSA-N 1 0 342.374 3.411 20 5 EGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H](CO)[C@H](C)c1ccccc1 ZINC000866296755 1330092354 /nfs/dbraw/zinc/09/23/54/1330092354.db2.gz FEUZARNCKORPJB-HBUWYVDXSA-N 1 0 346.402 3.419 20 5 EGBDRO CCc1nn(C)c(CC)c1C[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866309939 1330094194 /nfs/dbraw/zinc/09/41/94/1330094194.db2.gz KVDPGPYGIBCTOQ-GFCCVEGCSA-N 1 0 348.422 3.313 20 5 EGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H]1COc2ccccc21 ZINC000866358911 1330101910 /nfs/dbraw/zinc/10/19/10/1330101910.db2.gz MCFWMKJBHGLVBD-OCCSQVGLSA-N 1 0 330.359 3.431 20 5 EGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1COc2ccccc21 ZINC000866358912 1330102045 /nfs/dbraw/zinc/10/20/45/1330102045.db2.gz MCFWMKJBHGLVBD-TZMCWYRMSA-N 1 0 330.359 3.431 20 5 EGBDRO CC(C)=CC(=O)N1CCC(C[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001029929161 1341124303 /nfs/dbraw/zinc/12/43/03/1341124303.db2.gz LJPUVKYVQKWEED-UHFFFAOYSA-N 1 0 345.443 3.231 20 5 EGBDRO Cc1cc(Br)cc([N+](=O)[O-])c1O[C@H]1CCC[NH2+]C[C@@H]1C ZINC001217990626 1373528509 /nfs/dbraw/zinc/52/85/09/1373528509.db2.gz JDDOSUHYEQCSNZ-GWCFXTLKSA-N 1 0 343.221 3.433 20 5 EGBDRO C[C@H]1CC[NH2+]CC[C@H]1Oc1cc([N+](=O)[O-])c(F)cc1Br ZINC001218026305 1373540946 /nfs/dbraw/zinc/54/09/46/1373540946.db2.gz IDKDNMUHLJRWIU-QPUJVOFHSA-N 1 0 347.184 3.263 20 5 EGBDRO O=[N+]([O-])c1cccc(Br)c1O[C@@H]1CCC[C@@]12CC[NH2+]C2 ZINC001218092610 1373558561 /nfs/dbraw/zinc/55/85/61/1373558561.db2.gz ILSBAYYAWOSZAT-OCCSQVGLSA-N 1 0 341.205 3.268 20 5 EGBDRO CCCC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1[N+](=O)[O-])CC2 ZINC001040580883 1345549265 /nfs/dbraw/zinc/54/92/65/1345549265.db2.gz XCVHVLSIZYKYBK-UHFFFAOYSA-N 1 0 345.443 3.209 20 5 EGBDRO Cc1cc(Br)cc([N+](=O)[O-])c1O[C@@H]1C[C@H]2CC[NH2+][C@H]2C1 ZINC001218250210 1373583640 /nfs/dbraw/zinc/58/36/40/1373583640.db2.gz LHHIVFHIQCFNAJ-JLLWLGSASA-N 1 0 341.205 3.185 20 5 EGBDRO CC1(NC(=O)C2=CCCC2)CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001045405976 1346586338 /nfs/dbraw/zinc/58/63/38/1346586338.db2.gz LFWPYTYVVQSSRX-UHFFFAOYSA-N 1 0 343.427 3.176 20 5 EGBDRO O=C(NC[C@H]1CC[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1)C1CC1 ZINC001048593528 1347611039 /nfs/dbraw/zinc/61/10/39/1347611039.db2.gz WLILKRQQEJVDCE-SHTZXODSSA-N 1 0 345.443 3.017 20 5 EGBDRO CC1(C)CC(C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccccc3[N+](=O)[O-])C2)C1 ZINC001086077265 1358989156 /nfs/dbraw/zinc/98/91/56/1358989156.db2.gz QHNLRHXCLWGRLV-AKAXFMLLSA-N 1 0 345.443 3.015 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCC(=O)N1CCC[C@@H](C)C1 ZINC001323490689 1387376475 /nfs/dbraw/zinc/37/64/75/1387376475.db2.gz CNAGYBYVLQTPSX-HIFRSBDPSA-N 1 0 333.432 3.202 20 5 EGBDRO C[NH+](C)CCCCC(=O)Nc1cc2nc3ccccc3nc2cc1N ZINC001184058940 1387385400 /nfs/dbraw/zinc/38/54/00/1387385400.db2.gz NZSAFZGYYUGRQI-UHFFFAOYSA-N 1 0 337.427 3.036 20 5 EGBDRO CC(C)(c1nc([C@@H]2C[NH+]3CCC2CC3)no1)c1ccc([N+](=O)[O-])cc1 ZINC001323914414 1387495222 /nfs/dbraw/zinc/49/52/22/1387495222.db2.gz HVQNWHKODIBYTN-OAHLLOKOSA-N 1 0 342.399 3.113 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC(C)(C)C1(C)C ZINC001324246550 1387566140 /nfs/dbraw/zinc/56/61/40/1387566140.db2.gz SFIWXECAUMSARF-UHFFFAOYSA-N 1 0 335.404 3.052 20 5 EGBDRO CCC(=O)N1CCC(C(C)(C)C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001101497110 1364582235 /nfs/dbraw/zinc/58/22/35/1364582235.db2.gz QZCVTIWTQWJKHQ-UHFFFAOYSA-N 1 0 347.459 3.359 20 5 EGBDRO C[C@@H]1CCC[N@H+](CCNc2ncnc3c(Cl)cc([N+](=O)[O-])cc23)C1 ZINC001325489740 1387990959 /nfs/dbraw/zinc/99/09/59/1387990959.db2.gz QWSFQUWCFXLEKH-LLVKDONJSA-N 1 0 349.822 3.335 20 5 EGBDRO C[NH+]1CCC(Oc2ccc(Nc3ccc([N+](=O)[O-])nc3)cc2)CC1 ZINC001203576300 1370175796 /nfs/dbraw/zinc/17/57/96/1370175796.db2.gz YOCAPKJFIKOOMK-UHFFFAOYSA-N 1 0 328.372 3.206 20 5 EGBDRO C[NH+]1CCC(COc2ccccc2Nc2ccc([N+](=O)[O-])nc2)CC1 ZINC001203580792 1370177862 /nfs/dbraw/zinc/17/78/62/1370177862.db2.gz SZSWQWVHBHDTDX-UHFFFAOYSA-N 1 0 342.399 3.454 20 5 EGBDRO OC[C@@H]1C[N@H+](Cc2ccc3ccc4cccc5ccc2c3c45)C[C@@H]1O ZINC001204001555 1370344938 /nfs/dbraw/zinc/34/49/38/1370344938.db2.gz HUBQBDOEKNBBAK-ICSRJNTNSA-N 1 0 331.415 3.369 20 5 EGBDRO CCCC(=O)NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC001115381220 1370419361 /nfs/dbraw/zinc/41/93/61/1370419361.db2.gz JVHRHANBCFTKPB-UHFFFAOYSA-N 1 0 333.432 3.304 20 5 EGBDRO CC/C(C)=C/C(=O)N1CCC(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001205196711 1370676825 /nfs/dbraw/zinc/67/68/25/1370676825.db2.gz VHXMZDDPKYLRRC-RVDMUPIBSA-N 1 0 345.443 3.279 20 5 EGBDRO Cc1nccn1-c1cc[nH+]cc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC001116061692 1370829570 /nfs/dbraw/zinc/82/95/70/1370829570.db2.gz MRDSEUSNMGUWPG-UHFFFAOYSA-N 1 0 337.339 3.045 20 5 EGBDRO C[NH+]1CCN(Cc2cccc(Nc3ccccc3[N+](=O)[O-])c2)CC1 ZINC001206173058 1370980327 /nfs/dbraw/zinc/98/03/27/1370980327.db2.gz UOKHJWIWOCAMNP-UHFFFAOYSA-N 1 0 326.400 3.086 20 5 EGBDRO C[C@@H]1CC[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)[C@@H](n2cncn2)C1 ZINC001326284594 1388141726 /nfs/dbraw/zinc/14/17/26/1388141726.db2.gz ZVIDTPAIZKFADZ-LYRGGWFBSA-N 1 0 349.822 3.359 20 5 EGBDRO C/C=C(\C)C(=O)NC1CC2(C1)CC([NH2+]Cc1csc([N+](=O)[O-])c1)C2 ZINC001120908398 1371803378 /nfs/dbraw/zinc/80/33/78/1371803378.db2.gz WWAQCBUQEZKGNZ-QDEBKDIKSA-N 1 0 349.456 3.140 20 5 EGBDRO CC[NH+]1CCN(c2ccc(Nc3ccc(N)c([N+](=O)[O-])c3)cc2)CC1 ZINC001209935692 1372236135 /nfs/dbraw/zinc/23/61/35/1372236135.db2.gz CJZREYRYKBTOFD-UHFFFAOYSA-N 1 0 341.415 3.063 20 5 EGBDRO Cc1cc(NC(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)cc([N+](=O)[O-])c1 ZINC001123361604 1372442624 /nfs/dbraw/zinc/44/26/24/1372442624.db2.gz YMYPTWWXJMHGES-HNNXBMFYSA-N 1 0 346.431 3.147 20 5 EGBDRO Cc1cc(NC(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC001123453192 1372474426 /nfs/dbraw/zinc/47/44/26/1372474426.db2.gz FLDWMFJEENBPNP-AWEZNQCLSA-N 1 0 346.431 3.241 20 5 EGBDRO O=[N+]([O-])c1cc(F)cc(Nc2ccc(CC[NH+]3CCOCC3)cc2)c1 ZINC001216484736 1373310962 /nfs/dbraw/zinc/31/09/62/1373310962.db2.gz YEGGCCNIDAEHCW-UHFFFAOYSA-N 1 0 345.374 3.352 20 5 EGBDRO CC(C)(C)OC(=O)c1ccc(O[C@H]2CCCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001217975675 1373523227 /nfs/dbraw/zinc/52/32/27/1373523227.db2.gz OICNDZWUZULRKU-ZDUSSCGKSA-N 1 0 336.388 3.071 20 5 EGBDRO O=c1c2ccccc2oc2cc(O[C@@H]3C[NH2+]CCC[C@H]3F)ccc12 ZINC001217978172 1373524285 /nfs/dbraw/zinc/52/42/85/1373524285.db2.gz ACSHKWZGHGJYOG-CRAIPNDOSA-N 1 0 327.355 3.415 20 5 EGBDRO O=[N+]([O-])c1cc([N+](=O)[O-])c(O[C@@H]2C[NH2+]CCC[C@H]2F)c2ccccc21 ZINC001217982012 1373525276 /nfs/dbraw/zinc/52/52/76/1373525276.db2.gz SRCAXGZVWVLLMH-IUODEOHRSA-N 1 0 349.318 3.125 20 5 EGBDRO C[C@@H]1C[NH2+]CCC[C@H]1Oc1cc([N+](=O)[O-])c(F)cc1Br ZINC001217985366 1373526342 /nfs/dbraw/zinc/52/63/42/1373526342.db2.gz IXUYXDILUXXHAZ-PRHODGIISA-N 1 0 347.184 3.263 20 5 EGBDRO C[C@@H]1C[NH2+]CCC[C@H]1Oc1ccc([N+](=O)[O-])c(Br)c1 ZINC001217987147 1373527084 /nfs/dbraw/zinc/52/70/84/1373527084.db2.gz HUGQIHZSAAZEEP-NOZJJQNGSA-N 1 0 329.194 3.124 20 5 EGBDRO C[C@H]1C[NH2+]CCC[C@H]1Oc1cccc([N+](=O)[O-])c1Br ZINC001217989140 1373528179 /nfs/dbraw/zinc/52/81/79/1373528179.db2.gz RXQXKNNJABFNTP-GXSJLCMTSA-N 1 0 329.194 3.124 20 5 EGBDRO O=[N+]([O-])c1cc2c(cc1Cl)ncnc2O[C@H]1CCC[C@@]12CC[NH2+]C2 ZINC001218092245 1373558854 /nfs/dbraw/zinc/55/88/54/1373558854.db2.gz QNTGTRXFXQEYDW-HOCLYGCPSA-N 1 0 348.790 3.102 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)c(O[C@@H]2CSC3(C[NH2+]C3)C2)c(Cl)c1 ZINC001218101305 1373561141 /nfs/dbraw/zinc/56/11/41/1373561141.db2.gz GXLHVQCCILJEDX-QMMMGPOBSA-N 1 0 335.212 3.128 20 5 EGBDRO Oc1c2ccccc2c(O[C@@H]2C[C@H]3C[NH2+]CCN3C2)c2ccccc12 ZINC001218105717 1373561879 /nfs/dbraw/zinc/56/18/79/1373561879.db2.gz VNQGJGZBBYGONA-LSDHHAIUSA-N 1 0 334.419 3.124 20 5 EGBDRO O=[N+]([O-])c1cc(O[C@H]2CC[C@]23CC[NH2+]C3)c(F)cc1Br ZINC001218117810 1373564351 /nfs/dbraw/zinc/56/43/51/1373564351.db2.gz OLVZDFLXRRAARB-QWHCGFSZSA-N 1 0 345.168 3.017 20 5 EGBDRO O=[N+]([O-])c1cc(O[C@@H]2CC[C@@]23CC[NH2+]C3)c(F)cc1Br ZINC001218117808 1373564516 /nfs/dbraw/zinc/56/45/16/1373564516.db2.gz OLVZDFLXRRAARB-OLZOCXBDSA-N 1 0 345.168 3.017 20 5 EGBDRO C[NH2+][C@H]1CC[C@H](Oc2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC001218189157 1373574550 /nfs/dbraw/zinc/57/45/50/1373574550.db2.gz POZCXYBKGCWIAV-UMSPYCQHSA-N 1 0 329.194 3.267 20 5 EGBDRO C[C@@H](Oc1cccc2c1CC[NH2+]C2)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001218212711 1373578720 /nfs/dbraw/zinc/57/87/20/1373578720.db2.gz DQWYCTXQWUKIHA-LLVKDONJSA-N 1 0 342.351 3.109 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCCCC2)cc1OC1CCC2(C[NH2+]C2)CC1 ZINC001218263772 1373585330 /nfs/dbraw/zinc/58/53/30/1373585330.db2.gz LBFDYPXFSWYRHZ-UHFFFAOYSA-N 1 0 345.443 3.496 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)cc(Br)c1O[C@H]1CCC[NH2+]C1 ZINC001218287265 1373588531 /nfs/dbraw/zinc/58/85/31/1373588531.db2.gz XTQATDPBFSGOHX-QMMMGPOBSA-N 1 0 335.585 3.142 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2cccc(OCCO[C@@H]3CC[NH2+]C3)c2)c1 ZINC001218393327 1373605654 /nfs/dbraw/zinc/60/56/54/1373605654.db2.gz KTCKIKICWMZGGG-GOSISDBHSA-N 1 0 328.368 3.019 20 5 EGBDRO O=[N+]([O-])c1cc(O[C@@H]2C[NH2+]CCC2(F)F)c(Cl)cc1Cl ZINC001218447409 1373613834 /nfs/dbraw/zinc/61/38/34/1373613834.db2.gz GPULLYHAIYYVMI-SNVBAGLBSA-N 1 0 327.114 3.278 20 5 EGBDRO Cc1cc(Br)c(O[C@@H]2CC[C@H]3C[NH2+]C[C@H]32)cc1[N+](=O)[O-] ZINC001218464676 1373619131 /nfs/dbraw/zinc/61/91/31/1373619131.db2.gz HSWSKNRPXCDGCR-OPQQBVKSSA-N 1 0 341.205 3.043 20 5 EGBDRO CC1(C)C[C@H](Oc2cc(F)c(Br)cc2[N+](=O)[O-])CC[NH2+]1 ZINC001218476361 1373621217 /nfs/dbraw/zinc/62/12/17/1373621217.db2.gz QHHHUEOTLXEQHJ-MRVPVSSYSA-N 1 0 347.184 3.406 20 5 EGBDRO CC1(C)C[C@@H](Oc2cc([N+](=O)[O-])ccc2Br)CC[NH2+]1 ZINC001218475150 1373621351 /nfs/dbraw/zinc/62/13/51/1373621351.db2.gz LGEZIFFPVZTIID-JTQLQIEISA-N 1 0 329.194 3.267 20 5 EGBDRO CC1(C)C[NH2+][C@](C)(C(=O)Nc2cc3nc4ccccc4nc3cc2N)C1 ZINC001218857973 1373662073 /nfs/dbraw/zinc/66/20/73/1373662073.db2.gz ROYYKYLYWHWZBB-FQEVSTJZSA-N 1 0 349.438 3.082 20 5 EGBDRO CCOC(=O)c1ccc(CO[C@H](C)C[NH+](CC)CC)c([N+](=O)[O-])c1 ZINC001223967310 1375050800 /nfs/dbraw/zinc/05/08/00/1375050800.db2.gz XZANTCDVFCHHPI-CYBMUJFWSA-N 1 0 338.404 3.018 20 5 EGBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Oc1cccnc1[N+](=O)[O-] ZINC001225629772 1375134906 /nfs/dbraw/zinc/13/49/06/1375134906.db2.gz RKFXNVRCKTWXBI-ZBFHGGJFSA-N 1 0 327.384 3.279 20 5 EGBDRO O=[N+]([O-])c1ccc(O[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)nc1 ZINC001225634976 1375136448 /nfs/dbraw/zinc/13/64/48/1375136448.db2.gz UCCRYKINAFFAAE-KBAYOESNSA-N 1 0 339.395 3.279 20 5 EGBDRO CC(C)[N@@H+]1CCC[C@@H](Oc2ncc(Br)cc2[N+](=O)[O-])C1 ZINC001225751193 1375152516 /nfs/dbraw/zinc/15/25/16/1375152516.db2.gz WOPSHIKDWUCSLB-LLVKDONJSA-N 1 0 344.209 3.004 20 5 EGBDRO Cc1ccc(N2CCC(Oc3cccc([N+](=O)[O-])c3F)CC2)nc1 ZINC001225797189 1375157067 /nfs/dbraw/zinc/15/70/67/1375157067.db2.gz QZAZQHLRRNEZST-UHFFFAOYSA-N 1 0 331.347 3.485 20 5 EGBDRO O=[N+]([O-])c1ccc(O[C@H]2CC[N@H+](Cc3ccccc3Cl)C2)cn1 ZINC001226711782 1375315266 /nfs/dbraw/zinc/31/52/66/1375315266.db2.gz GGDRIHGVAJXHCY-AWEZNQCLSA-N 1 0 333.775 3.297 20 5 EGBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ccc(OC(F)(F)F)cc1[N+](=O)[O-])C2 ZINC001227602267 1375451187 /nfs/dbraw/zinc/45/11/87/1375451187.db2.gz RNHKEFXEKGAJOY-IAZYJMLFSA-N 1 0 346.305 3.497 20 5 EGBDRO O=[N+]([O-])c1cncc(O[C@@H]2CCCN(Cc3ccccc3F)C2)c1 ZINC001227989066 1375499095 /nfs/dbraw/zinc/49/90/95/1375499095.db2.gz BXINLDJCBAERJI-OAHLLOKOSA-N 1 0 331.347 3.172 20 5 EGBDRO COCCC[NH+]1CCC(Oc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC001228758477 1375666347 /nfs/dbraw/zinc/66/63/47/1375666347.db2.gz GKGOFVGQYOCSLA-UHFFFAOYSA-N 1 0 328.796 3.128 20 5 EGBDRO O=[N+]([O-])c1ccc(O[C@@H]2CC[N@H+](Cc3ccccc3)C2)nc1Cl ZINC001228935546 1375722035 /nfs/dbraw/zinc/72/20/35/1375722035.db2.gz DTPKGYSGOWBJNX-CYBMUJFWSA-N 1 0 333.775 3.297 20 5 EGBDRO COC(=O)c1c(OC2CC[NH+](C(C)(C)C)CC2)cccc1[N+](=O)[O-] ZINC001229049587 1375751309 /nfs/dbraw/zinc/75/13/09/1375751309.db2.gz FIAQJUDHJQIHLO-UHFFFAOYSA-N 1 0 336.388 3.023 20 5 EGBDRO COC(=O)c1ccc2c(O[C@H](C)C[N+](C)(C)C)ccnc2c1Cl ZINC001229154761 1375775986 /nfs/dbraw/zinc/77/59/86/1375775986.db2.gz GGPUWLISSVSBCZ-LLVKDONJSA-N 1 0 337.827 3.148 20 5 EGBDRO C[C@H](C[N+](C)(C)C)Oc1cc(O)ccc1/C=C/c1cc(O)cc(O)c1 ZINC001229770026 1375890120 /nfs/dbraw/zinc/89/01/20/1375890120.db2.gz OWLUJXKRFSTALP-VBROQKIQSA-O 1 0 344.431 3.447 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1OC[C@@H]1CCC2(CC[NH+](C)CC2)O1 ZINC001230724465 1376134434 /nfs/dbraw/zinc/13/44/34/1376134434.db2.gz WKQBJVIUIRZXEK-HNNXBMFYSA-N 1 0 334.416 3.234 20 5 EGBDRO CC[NH+]1C[C@@H]2CN(Cc3ccc4ccc5cccnc5c4n3)C[C@H]2C1 ZINC001232227638 1376419899 /nfs/dbraw/zinc/41/98/99/1376419899.db2.gz JUEBHLUIGQHOTO-QZTJIDSGSA-N 1 0 332.451 3.167 20 5 EGBDRO Cc1ccnc([N+](=O)[O-])c1OC1CC[NH+](Cc2ccccc2)CC1 ZINC001233553123 1376668632 /nfs/dbraw/zinc/66/86/32/1376668632.db2.gz ZPDKZFGNTGDCKE-UHFFFAOYSA-N 1 0 327.384 3.342 20 5 EGBDRO C[N@@H+]1CC[C@H](Oc2cc(C(F)(F)F)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC001233968584 1376746441 /nfs/dbraw/zinc/74/64/41/1376746441.db2.gz AJBPJQWEZRKOOW-JTQLQIEISA-N 1 0 341.289 3.245 20 5 EGBDRO O=[N+]([O-])c1ccc2cnn(C[NH+]3CCC([C@@H]4CCCCO4)CC3)c2c1 ZINC001327677788 1388577546 /nfs/dbraw/zinc/57/75/46/1388577546.db2.gz DYAIQAYWTLIXAT-SFHVURJKSA-N 1 0 344.415 3.183 20 5 EGBDRO CC1(C)CCC(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001152843748 1379986335 /nfs/dbraw/zinc/98/63/35/1379986335.db2.gz UVYIAOLHXVBHMJ-UHFFFAOYSA-N 1 0 333.432 3.017 20 5 EGBDRO CCOc1nc(-n2ccc3cc([C@H](C)[NH3+])ccc32)ccc1[N+](=O)[O-] ZINC001155347579 1380440456 /nfs/dbraw/zinc/44/04/56/1380440456.db2.gz GDTLIHZGUNINGM-NSHDSACASA-N 1 0 326.356 3.352 20 5 EGBDRO CC(C)Oc1nc(N[C@H]2C[NH2+]Cc3ccsc32)ccc1[N+](=O)[O-] ZINC001155563944 1380469331 /nfs/dbraw/zinc/46/93/31/1380469331.db2.gz FQEJXXQCSCSNGE-NSHDSACASA-N 1 0 334.401 3.095 20 5 EGBDRO CC(C)[NH+]1CCC(CNc2cnc3ccc([N+](=O)[O-])cc3n2)CC1 ZINC001156495430 1380583681 /nfs/dbraw/zinc/58/36/81/1380583681.db2.gz CWNGXHMKEXTASW-UHFFFAOYSA-N 1 0 329.404 3.070 20 5 EGBDRO C[NH2+][C@H](C)CCNC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC001328221210 1388691277 /nfs/dbraw/zinc/69/12/77/1388691277.db2.gz ORDAZNASNLDFBW-CYBMUJFWSA-N 1 0 342.399 3.066 20 5 EGBDRO [NH3+]CC[C@@H]1CN(c2ncnc3cc([N+](=O)[O-])ccc32)c2ccccc21 ZINC001157747014 1381020431 /nfs/dbraw/zinc/02/04/31/1381020431.db2.gz RHPUWCHHGSPUEF-GFCCVEGCSA-N 1 0 335.367 3.122 20 5 EGBDRO CC1(C)C[C@H](Nc2ncnc3cccc([N+](=O)[O-])c32)C[C@](C)(C[NH3+])C1 ZINC001158272227 1381181498 /nfs/dbraw/zinc/18/14/98/1381181498.db2.gz VZQHUSIRLOBKDS-SGTLLEGYSA-N 1 0 343.431 3.494 20 5 EGBDRO [NH3+]Cc1ccc2c(n1)N(c1ccc3c(cccc3[N+](=O)[O-])n1)CCC2 ZINC001158649954 1381337396 /nfs/dbraw/zinc/33/73/96/1381337396.db2.gz SMRSDMANVFCUFG-UHFFFAOYSA-N 1 0 335.367 3.081 20 5 EGBDRO O=[N+]([O-])c1ccc(Nc2cccnc2OCC2CC[NH2+]CC2)cc1 ZINC001159289969 1381753485 /nfs/dbraw/zinc/75/34/85/1381753485.db2.gz KVNKHHBUSKWDMY-UHFFFAOYSA-N 1 0 328.372 3.112 20 5 EGBDRO C[C@H](Nc1ccc2ccc3ccc(Cl)nc3c2n1)[C@@H]1C[NH2+]CCO1 ZINC001159499388 1381807972 /nfs/dbraw/zinc/80/79/72/1381807972.db2.gz PLXVCDPFRNOTOZ-FZMZJTMJSA-N 1 0 342.830 3.225 20 5 EGBDRO [NH3+][C@@H]1CCc2c3ccccc3n(-c3ncc([N+](=O)[O-])cc3Cl)c2C1 ZINC001159947306 1381946369 /nfs/dbraw/zinc/94/63/69/1381946369.db2.gz LJPRSSXPINFDOJ-SNVBAGLBSA-N 1 0 342.786 3.403 20 5 EGBDRO Cc1ccc(Nc2cc(F)ccc2N2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC001160053087 1381982370 /nfs/dbraw/zinc/98/23/70/1381982370.db2.gz TYNPQMNRMPEUMX-UHFFFAOYSA-N 1 0 330.363 3.196 20 5 EGBDRO Cc1ccc(Nc2c(F)cccc2N2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC001160062891 1381986421 /nfs/dbraw/zinc/98/64/21/1381986421.db2.gz GHNXRIDWEGSMTO-UHFFFAOYSA-N 1 0 330.363 3.196 20 5 EGBDRO Cc1ccc(Nc2ccccc2CN2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC001160299007 1382066902 /nfs/dbraw/zinc/06/69/02/1382066902.db2.gz OCKFDRPTVAFHDZ-UHFFFAOYSA-N 1 0 326.400 3.052 20 5 EGBDRO O=[N+]([O-])c1ccc2c(ccnc2N[C@H]2CC[NH2+]C[C@H]2C(F)(F)F)c1 ZINC001160747973 1382185653 /nfs/dbraw/zinc/18/56/53/1382185653.db2.gz OUHYWQXPIPZKLS-OLZOCXBDSA-N 1 0 340.305 3.095 20 5 EGBDRO [NH3+]Cc1cn(-c2cc([N+](=O)[O-])ccn2)c2cc(Br)ccc12 ZINC001160753772 1382187934 /nfs/dbraw/zinc/18/79/34/1382187934.db2.gz WOJNYTLZSCWAAE-UHFFFAOYSA-N 1 0 347.172 3.155 20 5 EGBDRO CC(C)(C[NH3+])c1cn(-c2ncc(F)cc2[N+](=O)[O-])c2ccccc12 ZINC001160843397 1382214310 /nfs/dbraw/zinc/21/43/10/1382214310.db2.gz YWJHDVMFYLHAQD-UHFFFAOYSA-N 1 0 328.347 3.309 20 5 EGBDRO Cc1cnc(NC2CC[NH+](Cc3ccc(O)cc3)CC2)c([N+](=O)[O-])c1 ZINC001161129211 1382311248 /nfs/dbraw/zinc/31/12/48/1382311248.db2.gz AGLGEWPLBQVWRA-UHFFFAOYSA-N 1 0 342.399 3.080 20 5 EGBDRO c1cnc2c(c1)ccc1ccc(NC3CCN([C@H]4CC[NH2+]C4)CC3)nc12 ZINC001161464883 1382416130 /nfs/dbraw/zinc/41/61/30/1382416130.db2.gz SVLIRROPVUQQEP-SFHVURJKSA-N 1 0 347.466 3.021 20 5 EGBDRO C[C@H]1C[NH2+]CCC[C@@H]1CNc1nc2cc([N+](=O)[O-])ccc2nc1Cl ZINC001162459268 1382762815 /nfs/dbraw/zinc/76/28/15/1382762815.db2.gz COGKCMKLCJROBL-WDEREUQCSA-N 1 0 349.822 3.239 20 5 EGBDRO Cc1cc(Cl)c([N+](=O)[O-])c(-n2cncc2-c2cccc(C[NH3+])c2)n1 ZINC001162563139 1382790670 /nfs/dbraw/zinc/79/06/70/1382790670.db2.gz KMKKMCBRCLFCHO-UHFFFAOYSA-N 1 0 343.774 3.263 20 5 EGBDRO COc1cc([N+](=O)[O-])c(-n2c3ccccc3nc2[C@H](C)[NH3+])cc1F ZINC001162767184 1382865152 /nfs/dbraw/zinc/86/51/52/1382865152.db2.gz SSZSRMVGPCSSJT-VIFPVBQESA-N 1 0 330.319 3.101 20 5 EGBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CC[NH2+]C[C@@H]2F)nc1-c1ccccc1 ZINC001162809140 1382880257 /nfs/dbraw/zinc/88/02/57/1382880257.db2.gz WUNHYNXTGGRZSO-KBPBESRZSA-N 1 0 330.363 3.016 20 5 EGBDRO COc1cc([N+](=O)[O-])c(N[C@@H]2CC[NH2+][C@H]2c2ccccc2)cc1F ZINC001163214955 1382994846 /nfs/dbraw/zinc/99/48/46/1382994846.db2.gz ATWMGOQLDXLLPK-DYVFJYSZSA-N 1 0 331.347 3.258 20 5 EGBDRO Cc1cc(Cl)nc(N[C@H]2CC[N@@H+](C(C)C)C[C@H]2C)c1[N+](=O)[O-] ZINC001163361600 1383030911 /nfs/dbraw/zinc/03/09/11/1383030911.db2.gz JLZXNHRVTPWYCU-NEPJUHHUSA-N 1 0 326.828 3.482 20 5 EGBDRO CC(C)(C)CC(=O)NCCC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001163448358 1383053586 /nfs/dbraw/zinc/05/35/86/1383053586.db2.gz YIGKPUWBQAFHME-UHFFFAOYSA-N 1 0 347.459 3.407 20 5 EGBDRO CC[N+](C)(C)Cc1ccccc1N[C@@H](C(=O)OC)c1ccc(O)cc1 ZINC001163501100 1383066797 /nfs/dbraw/zinc/06/67/97/1383066797.db2.gz ZJCLJHXSHGCOEZ-LJQANCHMSA-O 1 0 343.447 3.315 20 5 EGBDRO C[C@H]1CC[C@@H](C[NH3+])N(c2ccc3c(ccc(Cl)c3[N+](=O)[O-])n2)C1 ZINC001164073619 1383153006 /nfs/dbraw/zinc/15/30/06/1383153006.db2.gz NFJCESRPJPXEON-QWRGUYRKSA-N 1 0 334.807 3.360 20 5 EGBDRO Cc1cc(N2CCN(c3cccc([N+](=O)[O-])n3)CC2)c2ccccc2[nH+]1 ZINC001164200001 1383165501 /nfs/dbraw/zinc/16/55/01/1383165501.db2.gz XSOOAJXONLQOED-UHFFFAOYSA-N 1 0 349.394 3.173 20 5 EGBDRO C[C@@]1(C[NH3+])CCCN(c2nc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC001164246540 1383170851 /nfs/dbraw/zinc/17/08/51/1383170851.db2.gz BFAQUCUAEYHZMB-CYBMUJFWSA-N 1 0 333.219 3.252 20 5 EGBDRO C[C@@]1(C[NH3+])CCCN(c2ccc(-c3ccc([N+](=O)[O-])cc3)nn2)CC1 ZINC001164248794 1383171255 /nfs/dbraw/zinc/17/12/55/1383171255.db2.gz UATHWSVNJJHNRT-GOSISDBHSA-N 1 0 341.415 3.007 20 5 EGBDRO C[C@H]1CC[C@@H](C[NH3+])CN1c1nc2ccccc2c(Cl)c1[N+](=O)[O-] ZINC001164462845 1383189224 /nfs/dbraw/zinc/18/92/24/1383189224.db2.gz VBQUNGDTISYVSK-QWRGUYRKSA-N 1 0 334.807 3.360 20 5 EGBDRO C[C@@H]1CC[C@@H](C[NH3+])CN1c1nc2ccccc2c(Cl)c1[N+](=O)[O-] ZINC001164462844 1383189228 /nfs/dbraw/zinc/18/92/28/1383189228.db2.gz VBQUNGDTISYVSK-MNOVXSKESA-N 1 0 334.807 3.360 20 5 EGBDRO CC[N+](C)(C)Cc1ccccc1NCC(=O)N1CCc2ccccc21 ZINC001164593340 1383204023 /nfs/dbraw/zinc/20/40/23/1383204023.db2.gz CBWRIMAVNQCLEQ-UHFFFAOYSA-N 1 0 338.475 3.284 20 5 EGBDRO O=[N+]([O-])c1cccc2nc(N3CC[NH2+][C@@H](Cc4ccccc4)C3)ccc21 ZINC001164608519 1383207598 /nfs/dbraw/zinc/20/75/98/1383207598.db2.gz SIFBHWJCXQIFQC-INIZCTEOSA-N 1 0 348.406 3.164 20 5 EGBDRO C[NH+](C)C[C@@H]1CCCN1c1ccc2c(ccc(Cl)c2[N+](=O)[O-])n1 ZINC001165078582 1383223773 /nfs/dbraw/zinc/22/37/73/1383223773.db2.gz ZRLXBRRSVYFZJV-NSHDSACASA-N 1 0 334.807 3.327 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)c(Cl)nc1N1CCCCC12CC[NH2+]CC2 ZINC001165335748 1383276944 /nfs/dbraw/zinc/27/69/44/1383276944.db2.gz VJESGOQRKUAALM-UHFFFAOYSA-N 1 0 345.230 3.409 20 5 EGBDRO O=[N+]([O-])c1ccc2c(ccnc2N2C[C@H]3c4ccccc4C[NH2+][C@@H]3C2)c1 ZINC001165351830 1383280291 /nfs/dbraw/zinc/28/02/91/1383280291.db2.gz KZGXAGRIZNBGQA-RBUKOAKNSA-N 1 0 346.390 3.219 20 5 EGBDRO [NH3+]C1([C@H]2CN(c3ccc4ccc5cccnc5c4n3)C[C@@H]2CF)CC1 ZINC001165430843 1383295093 /nfs/dbraw/zinc/29/50/93/1383295093.db2.gz OBTIHNSPSOTYFD-HOTGVXAUSA-N 1 0 336.414 3.296 20 5 EGBDRO CC1(C(=O)NCCC[NH2+]Cc2csc([N+](=O)[O-])c2)CCCCC1 ZINC001165761934 1383340890 /nfs/dbraw/zinc/34/08/90/1383340890.db2.gz WFOKHUVJDVGLHJ-UHFFFAOYSA-N 1 0 339.461 3.223 20 5 EGBDRO C[NH2+]Cc1c(C)nn(-c2cc3ccc(Cl)nc3cc2[N+](=O)[O-])c1C ZINC001167100321 1383539282 /nfs/dbraw/zinc/53/92/82/1383539282.db2.gz QYMZXGWMZAYNFI-UHFFFAOYSA-N 1 0 345.790 3.318 20 5 EGBDRO C=Cc1ccc(C(=O)NCCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001167221756 1383569433 /nfs/dbraw/zinc/56/94/33/1383569433.db2.gz GKEQRRPWQLIQKX-UHFFFAOYSA-N 1 0 339.395 3.148 20 5 EGBDRO C[C@@H]1CCCC[N@@H+]1CCCNc1ccc([N+](=O)[O-])c2c1CCN(C)C2 ZINC001167754903 1383732826 /nfs/dbraw/zinc/73/28/26/1383732826.db2.gz XHNLRRIZIKZUFG-OAHLLOKOSA-N 1 0 346.475 3.259 20 5 EGBDRO NC(=[NH2+])N(c1ccc(F)cc1)c1ccnc2c1cccc2[N+](=O)[O-] ZINC001167994884 1383791664 /nfs/dbraw/zinc/79/16/64/1383791664.db2.gz RDBFQZOTKSJSIE-UHFFFAOYSA-N 1 0 325.303 3.314 20 5 EGBDRO [NH3+]CC[C@@H]1CN(c2ccc3nsnc3c2[N+](=O)[O-])c2ccccc21 ZINC001168549211 1383934668 /nfs/dbraw/zinc/93/46/68/1383934668.db2.gz MDFFLXBCMRJAFH-SNVBAGLBSA-N 1 0 341.396 3.184 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CCc2cccc(Br)c2)C1 ZINC001168965253 1384072878 /nfs/dbraw/zinc/07/28/78/1384072878.db2.gz YTVVMKMGHYVANZ-GXTWGEPZSA-N 1 0 327.222 3.027 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CCCc2ccccc2Br)C1 ZINC001168978786 1384077863 /nfs/dbraw/zinc/07/78/63/1384077863.db2.gz UEOLGWJLXIRHBJ-TZMCWYRMSA-N 1 0 341.249 3.417 20 5 EGBDRO O=C(C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccc(Cl)c(Cl)c1 ZINC001168983650 1384079409 /nfs/dbraw/zinc/07/94/09/1384079409.db2.gz KHCRKZJCWQISQT-MWLCHTKSSA-N 1 0 331.199 3.211 20 5 EGBDRO Cc1c(Br)cccc1C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168987761 1384080071 /nfs/dbraw/zinc/08/00/71/1384080071.db2.gz KCEJWOIOUWTDJY-WCQYABFASA-N 1 0 327.222 3.293 20 5 EGBDRO C[C@H](Cc1cccc(Br)c1)[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168990180 1384080294 /nfs/dbraw/zinc/08/02/94/1384080294.db2.gz YAIYZZIQUFJUBL-OSAQELSMSA-N 1 0 341.249 3.415 20 5 EGBDRO COc1ccc2cccc(CC[NH2+][C@@H]3CC[C@H](C[N+](=O)[O-])C3)c2c1 ZINC001168989821 1384080390 /nfs/dbraw/zinc/08/03/90/1384080390.db2.gz WVHQVQNBGZFXEC-WMLDXEAASA-N 1 0 328.412 3.426 20 5 EGBDRO CC(C)(C)OC(=O)C1(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCCCC1 ZINC001169002299 1384083616 /nfs/dbraw/zinc/08/36/16/1384083616.db2.gz KHQIGBZIPWZHNR-HUUCEWRRSA-N 1 0 340.464 3.314 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H](CO)c2ccc(Cl)c(Cl)c2)C1 ZINC001169000745 1384084094 /nfs/dbraw/zinc/08/40/94/1384084094.db2.gz BGCJFUJVLWFZPC-PUYPPJJSSA-N 1 0 333.215 3.062 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@H](n2c3ccccc3nc2C2CC[NH2+]CC2)C1 ZINC001169006885 1384086168 /nfs/dbraw/zinc/08/61/68/1384086168.db2.gz KAGTUMMMUXGUOD-HIFRSBDPSA-N 1 0 328.416 3.121 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@H](n2c3ccccc3nc2C2CC[NH2+]CC2)C1 ZINC001169006890 1384086443 /nfs/dbraw/zinc/08/64/43/1384086443.db2.gz KAGTUMMMUXGUOD-ZFWWWQNUSA-N 1 0 328.416 3.121 20 5 EGBDRO O=C(OCc1ccccc1)[C@@H]1CCCC[N@H+]1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169007749 1384087132 /nfs/dbraw/zinc/08/71/32/1384087132.db2.gz PYTFDJLEYJXRAQ-KURKYZTESA-N 1 0 346.427 3.030 20 5 EGBDRO COc1ccccc1CC1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169013390 1384089485 /nfs/dbraw/zinc/08/94/85/1384089485.db2.gz USPWJYUTLKGFDX-AEFFLSMTSA-N 1 0 332.444 3.395 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H](n2c3ccccc3nc2[C@H]2CCCC[NH2+]2)C1 ZINC001169036148 1384096630 /nfs/dbraw/zinc/09/66/30/1384096630.db2.gz FMTMIDTVQQOVOA-IIAWOOMASA-N 1 0 328.416 3.469 20 5 EGBDRO COc1ccc(C(=O)C2CC[NH+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)cc1 ZINC001169038018 1384097417 /nfs/dbraw/zinc/09/74/17/1384097417.db2.gz VCRATQQVVIYQEI-WMLDXEAASA-N 1 0 346.427 3.035 20 5 EGBDRO CCOc1cc2c(cc1OCC)C[N@@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169047101 1384100181 /nfs/dbraw/zinc/10/01/81/1384100181.db2.gz QSBVYAXZHUUVAI-WMLDXEAASA-N 1 0 348.443 3.288 20 5 EGBDRO CCOC(=O)C[N@H+]([C@H](C)c1ccccc1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169050015 1384100714 /nfs/dbraw/zinc/10/07/14/1384100714.db2.gz XXPNGUQVSZKZSY-INMHGKMJSA-N 1 0 334.416 3.058 20 5 EGBDRO C[C@@H]1C[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)[C@H](C)CN1Cc1ccccc1 ZINC001169057907 1384102063 /nfs/dbraw/zinc/10/20/63/1384102063.db2.gz YXIDELSPCXKCLP-FPAYPSAMSA-N 1 0 331.460 3.027 20 5 EGBDRO CC1(C)C[C@@H](Nc2cccc3ncc([N+](=O)[O-])n32)C[C@@](C)(C[NH3+])C1 ZINC001169148622 1384115321 /nfs/dbraw/zinc/11/53/21/1384115321.db2.gz YNEWIXQWYFWRDI-SJKOYZFVSA-N 1 0 331.420 3.198 20 5 EGBDRO [NH3+]Cc1ccc2c(n1)N(c1ccc3cc([N+](=O)[O-])ccc3n1)CCC2 ZINC001169584418 1384162006 /nfs/dbraw/zinc/16/20/06/1384162006.db2.gz NMOBTXIXEUYMQL-UHFFFAOYSA-N 1 0 335.367 3.081 20 5 EGBDRO CCOC(=O)c1cccc(CNc2ccccc2C[N+](C)(C)CC)n1 ZINC001169874802 1384193711 /nfs/dbraw/zinc/19/37/11/1384193711.db2.gz KFWUGVXNXDOHSB-UHFFFAOYSA-N 1 0 342.463 3.467 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2ccc3c(c2)OCO3)c([N+](=O)[O-])c1 ZINC001170295588 1384284441 /nfs/dbraw/zinc/28/44/41/1384284441.db2.gz VRTHNKKWZILKDI-GFCCVEGCSA-N 1 0 344.367 3.053 20 5 EGBDRO COc1ccc(C[NH2+][C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC001170297363 1384284907 /nfs/dbraw/zinc/28/49/07/1384284907.db2.gz NFJALDNGQFUTRP-ZDUSSCGKSA-N 1 0 330.384 3.333 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+]CCCc2cccnc2)c([N+](=O)[O-])c1 ZINC001170305536 1384287354 /nfs/dbraw/zinc/28/73/54/1384287354.db2.gz MUVURFOYHRQHJF-CQSZACIVSA-N 1 0 329.400 3.152 20 5 EGBDRO COc1ccc(C[C@@H](C)n2nc(C[NH3+])c3ccccc32)c([N+](=O)[O-])c1 ZINC001170311021 1384288096 /nfs/dbraw/zinc/28/80/96/1384288096.db2.gz YRRCDYPXCKTTPX-GFCCVEGCSA-N 1 0 340.383 3.216 20 5 EGBDRO COc1ccc(C[C@H](C)NC(=[NH2+])c2cccnc2Cl)c([N+](=O)[O-])c1 ZINC001170314391 1384288342 /nfs/dbraw/zinc/28/83/42/1384288342.db2.gz VBEZVLKVGFYMTC-JTQLQIEISA-N 1 0 348.790 3.198 20 5 EGBDRO COc1ccc(C[C@@H](C)n2cnc3cccc(C[NH3+])c32)c([N+](=O)[O-])c1 ZINC001170317426 1384289778 /nfs/dbraw/zinc/28/97/78/1384289778.db2.gz IILUQKNLOMDEIO-GFCCVEGCSA-N 1 0 340.383 3.216 20 5 EGBDRO COc1ccc(C[C@H](C)[N@@H+]2CCc3c(O)cccc3C2)c([N+](=O)[O-])c1 ZINC001170326667 1384291978 /nfs/dbraw/zinc/29/19/78/1384291978.db2.gz BIOWZOOILDKPCL-ZDUSSCGKSA-N 1 0 342.395 3.298 20 5 EGBDRO CCCCC[NH+]1CCN([C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC001170344348 1384295823 /nfs/dbraw/zinc/29/58/23/1384295823.db2.gz AYBQGBXKJZUQDN-INIZCTEOSA-N 1 0 349.475 3.342 20 5 EGBDRO COc1ccc(C[C@H](C)[N@@H+]2CC[C@@H](c3ccncc3)C2)c([N+](=O)[O-])c1 ZINC001170345393 1384296170 /nfs/dbraw/zinc/29/61/70/1384296170.db2.gz JSBPBNGHNOQFEM-WMLDXEAASA-N 1 0 341.411 3.419 20 5 EGBDRO COc1ccc(C[C@H](C)[NH+]2CC3(C2)C[C@H](F)CS3)c([N+](=O)[O-])c1 ZINC001170353113 1384299035 /nfs/dbraw/zinc/29/90/35/1384299035.db2.gz VXOSCAVSVMATMS-AAEUAGOBSA-N 1 0 340.420 3.064 20 5 EGBDRO COc1cccc(-n2c3ccccc3c3c2C[C@@H]([NH3+])CC3)c1[N+](=O)[O-] ZINC001171094218 1384444467 /nfs/dbraw/zinc/44/44/67/1384444467.db2.gz OOGCQUCKHYEGJR-LBPRGKRZSA-N 1 0 337.379 3.363 20 5 EGBDRO Cc1ccc2c(C[C@@H](C)[NH3+])cn(-c3ncnc(Cl)c3[N+](=O)[O-])c2c1 ZINC001171164946 1384458502 /nfs/dbraw/zinc/45/85/02/1384458502.db2.gz LSQQMRORKWTJCV-SNVBAGLBSA-N 1 0 345.790 3.180 20 5 EGBDRO [NH3+]CCc1cc2ccccc2n1-c1ncnc2sc([N+](=O)[O-])cc21 ZINC001171302396 1384490043 /nfs/dbraw/zinc/49/00/43/1384490043.db2.gz MXZXVFYZABYCGA-UHFFFAOYSA-N 1 0 339.380 3.045 20 5 EGBDRO Cc1cc(C)cc(C(=O)NCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)c1 ZINC001171950654 1384693398 /nfs/dbraw/zinc/69/33/98/1384693398.db2.gz IQJIEOPPGHFTKF-UHFFFAOYSA-N 1 0 341.411 3.121 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]C[C@H]1Cc3ccccc3O1)CC2 ZINC001172897628 1384873678 /nfs/dbraw/zinc/87/36/78/1384873678.db2.gz BIXVCIMUDGUUAO-IEBWSBKVSA-N 1 0 338.407 3.436 20 5 EGBDRO COC(=O)[C@@H]1CC[C@@H](C)[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172903735 1384874514 /nfs/dbraw/zinc/87/45/14/1384874514.db2.gz IYYBRXFUCPJJEV-KBRIMQKVSA-N 1 0 346.427 3.116 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CC[C@H]3OCCC[C@H]3C1)CC2 ZINC001172908340 1384875463 /nfs/dbraw/zinc/87/54/63/1384875463.db2.gz LYAJFGCFORERIM-YQVWRLOYSA-N 1 0 330.428 3.343 20 5 EGBDRO COC(=O)CC1CC(C[NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172910320 1384876115 /nfs/dbraw/zinc/87/61/15/1384876115.db2.gz XOHBRMDHEKNANO-KVULBXGLSA-N 1 0 346.427 3.021 20 5 EGBDRO COC(=O)[C@@H]1CCC[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)[C@@H]1C ZINC001172912281 1384876167 /nfs/dbraw/zinc/87/61/67/1384876167.db2.gz KLEZBOIWSMSZGX-RPVQJOFSSA-N 1 0 346.427 3.116 20 5 EGBDRO CN1CC[N@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C2(CCCC2)C1 ZINC001172914046 1384877238 /nfs/dbraw/zinc/87/72/38/1384877238.db2.gz YJTCBAHFRPJHKW-GOSISDBHSA-N 1 0 343.471 3.402 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CCc2ccc(O)cc2)c1F ZINC001173176199 1384931923 /nfs/dbraw/zinc/93/19/23/1384931923.db2.gz GMCHSOPODAYXER-GFCCVEGCSA-N 1 0 348.374 3.211 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@H](C)c2nccs2)c1F ZINC001173182899 1384932524 /nfs/dbraw/zinc/93/25/24/1384932524.db2.gz VHGWNORWOZDWEP-VHSXEESVSA-N 1 0 339.392 3.481 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@@H]2CCc3cccnc32)c1F ZINC001173183581 1384932539 /nfs/dbraw/zinc/93/25/39/1384932539.db2.gz CCEVUTIBVOTONQ-BXUZGUMPSA-N 1 0 345.374 3.346 20 5 EGBDRO CCOC1CC[NH+]([C@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])CC1 ZINC001173189863 1384933219 /nfs/dbraw/zinc/93/32/19/1384933219.db2.gz NNSWNVXFHBLDPW-GFCCVEGCSA-N 1 0 340.395 3.174 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCC1CCC2(CC1)OCCO2 ZINC001173216491 1384937537 /nfs/dbraw/zinc/93/75/37/1384937537.db2.gz BWZGVLAFSCIZDF-HNNXBMFYSA-N 1 0 348.443 3.439 20 5 EGBDRO CCOC(=O)c1ccc(C[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001173220408 1384938114 /nfs/dbraw/zinc/93/81/14/1384938114.db2.gz FEDXFJVRCXOURR-AWEZNQCLSA-N 1 0 342.395 3.492 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001173222138 1384938277 /nfs/dbraw/zinc/93/82/77/1384938277.db2.gz PLRXBQLDILHMPW-HIFRSBDPSA-N 1 0 349.431 3.125 20 5 EGBDRO COC[C@]12CCCO[C@@H]1CC[N@@H+]([C@H](C)Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001173224857 1384939158 /nfs/dbraw/zinc/93/91/58/1384939158.db2.gz LYOBFEBWKFBNEU-ATZDWAIDSA-N 1 0 348.443 3.043 20 5 EGBDRO CCOC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173224115 1384939239 /nfs/dbraw/zinc/93/92/39/1384939239.db2.gz MCTNJXVYWKMXKX-IMJJTQAJSA-N 1 0 334.416 3.237 20 5 EGBDRO CCOC(=O)CC1CC[NH+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173223093 1384939249 /nfs/dbraw/zinc/93/92/49/1384939249.db2.gz XNRLGMQUNYDRFJ-AWEZNQCLSA-N 1 0 334.416 3.191 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCCC[C@@H]1C[NH+]1CCCC1 ZINC001173224968 1384939329 /nfs/dbraw/zinc/93/93/29/1384939329.db2.gz ADQQERQNSIYQOH-QFBILLFUSA-N 1 0 331.460 3.476 20 5 EGBDRO COc1ccnc(C2(C[NH2+][C@H](C)Cc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC001173226720 1384939434 /nfs/dbraw/zinc/93/94/34/1384939434.db2.gz YXDHFLBCDVMREI-CQSZACIVSA-N 1 0 341.411 3.251 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC[C@@H]1COc2ccccc2O1 ZINC001173227476 1384940059 /nfs/dbraw/zinc/94/00/59/1384940059.db2.gz FZDUOKMOZROZRI-RHSMWYFYSA-N 1 0 342.395 3.346 20 5 EGBDRO Cc1cnc(N2CC[NH+]([C@@H](C)Cc3ccc([N+](=O)[O-])cc3)CC2)s1 ZINC001173226400 1384940095 /nfs/dbraw/zinc/94/00/95/1384940095.db2.gz JRNURZZTCTVFPP-ZDUSSCGKSA-N 1 0 346.456 3.113 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCN(c2ccccc2F)CC1 ZINC001173226320 1384940234 /nfs/dbraw/zinc/94/02/34/1384940234.db2.gz IFQCBFWMTPXGKG-HNNXBMFYSA-N 1 0 343.402 3.487 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cncnc1C(F)(F)F ZINC001173228950 1384940623 /nfs/dbraw/zinc/94/06/23/1384940623.db2.gz OHUMJUVMMCBMHM-SNVBAGLBSA-N 1 0 340.305 3.124 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1CCN(c2ccccn2)CC1 ZINC001173231649 1384940759 /nfs/dbraw/zinc/94/07/59/1384940759.db2.gz BOILPMAYJNUCMU-OAHLLOKOSA-N 1 0 340.427 3.179 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[NH+](C2CCCCC2)CC1 ZINC001173229968 1384940864 /nfs/dbraw/zinc/94/08/64/1384940864.db2.gz WQRPVYXEIPARIK-MRXNPFEDSA-N 1 0 331.460 3.476 20 5 EGBDRO CCc1nnc(C2CC[NH+]([C@H](C)Cc3ccc([N+](=O)[O-])cc3)CC2)o1 ZINC001173234210 1384942207 /nfs/dbraw/zinc/94/22/07/1384942207.db2.gz PVXJDJUFTDUTPO-CYBMUJFWSA-N 1 0 344.415 3.351 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(C[NH2+]CCn2cccn2)o1 ZINC001318622164 1385799191 /nfs/dbraw/zinc/79/91/91/1385799191.db2.gz ZGZRHBRTJCDACR-UHFFFAOYSA-N 1 0 346.774 3.495 20 5 EGBDRO CC[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC001320039503 1386467332 /nfs/dbraw/zinc/46/73/32/1386467332.db2.gz MADYQQRWLOKTGI-WMZOPIPTSA-N 1 0 348.374 3.215 20 5 EGBDRO CC[NH+](CC)C1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001321835706 1386994093 /nfs/dbraw/zinc/99/40/93/1386994093.db2.gz CCVVBWANVAKAQM-UHFFFAOYSA-N 1 0 327.375 3.179 20 5 EGBDRO O=C(CC[NH2+][C@@H]1C[C@H]1Cc1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC001336800304 1389172030 /nfs/dbraw/zinc/17/20/30/1389172030.db2.gz FLLQNQIIDLVFSJ-NVXWUHKLSA-N 1 0 339.395 3.144 20 5 EGBDRO C[N@@H+]1CCC[C@H](CCNc2ncnc3c(Cl)cc([N+](=O)[O-])cc23)C1 ZINC001333726830 1390385574 /nfs/dbraw/zinc/38/55/74/1390385574.db2.gz SZYQGSCRVGIYRK-LLVKDONJSA-N 1 0 349.822 3.335 20 5 EGBDRO COc1ccc(NC(=O)CC[N@@H+]2CC(C)(C)C2(C)C)c([N+](=O)[O-])c1 ZINC001340892106 1390398012 /nfs/dbraw/zinc/39/80/12/1390398012.db2.gz YZKAHDCUJGHYPY-UHFFFAOYSA-N 1 0 335.404 3.052 20 5 EGBDRO C[NH2+]Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC001340935670 1390408342 /nfs/dbraw/zinc/40/83/42/1390408342.db2.gz HQGKHVUBZKRZDA-DLBZAZTESA-N 1 0 325.368 3.056 20 5 EGBDRO C[NH2+]Cc1ccc(NC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC001340935672 1390408542 /nfs/dbraw/zinc/40/85/42/1390408542.db2.gz HQGKHVUBZKRZDA-IRXDYDNUSA-N 1 0 325.368 3.056 20 5 EGBDRO Cc1cncc([N+](=O)[O-])c1NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC001341769951 1390527242 /nfs/dbraw/zinc/52/72/42/1390527242.db2.gz OZZCHHZJNUBHFT-OAHLLOKOSA-N 1 0 340.427 3.358 20 5 EGBDRO COC[C@@H]([NH2+]Cc1c(Br)cccc1[N+](=O)[O-])C(C)C ZINC001334766709 1390584608 /nfs/dbraw/zinc/58/46/08/1390584608.db2.gz JVVYBXSTHPEZLL-GFCCVEGCSA-N 1 0 331.210 3.118 20 5 EGBDRO CCN(C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)[C@H]1CCC[NH2+]C1 ZINC001343850794 1390739994 /nfs/dbraw/zinc/73/99/94/1390739994.db2.gz GCFNWFBGPAZMJC-AWEZNQCLSA-N 1 0 333.432 3.106 20 5 EGBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cc(C)cc([N+](=O)[O-])c2)C[C@H]1C ZINC001344876020 1390821100 /nfs/dbraw/zinc/82/11/00/1390821100.db2.gz PVANDHIDICQMRW-HIFRSBDPSA-N 1 0 334.420 3.240 20 5 EGBDRO COC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001347319396 1391053805 /nfs/dbraw/zinc/05/38/05/1391053805.db2.gz GHVXIIOYCMDQST-CMPLNLGQSA-N 1 0 347.198 3.333 20 5 EGBDRO CCN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccccc1C ZINC001754031100 1440533828 /nfs/dbraw/zinc/53/38/28/1440533828.db2.gz RAGZECLWMZIAGD-UHFFFAOYSA-N 1 0 341.411 3.155 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CO)Cc2ccc(F)cc2)cc1Cl ZINC000783648588 1126109638 /nfs/dbraw/zinc/10/96/38/1126109638.db2.gz NLICWPPQNVRYRI-CQSZACIVSA-N 1 0 338.766 3.081 20 5 EGBDRO Cc1c(C[NH2+][C@@H](CO)Cc2c[nH]c3ccccc23)cccc1[N+](=O)[O-] ZINC000873051373 1126117467 /nfs/dbraw/zinc/11/74/67/1126117467.db2.gz AJGWCJCCKMBGOY-MRXNPFEDSA-N 1 0 339.395 3.078 20 5 EGBDRO C[NH+](C)C[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000338355806 282117253 /nfs/dbraw/zinc/11/72/53/282117253.db2.gz KMRVGFBZWXEZRF-MRXNPFEDSA-N 1 0 346.362 3.158 20 5 EGBDRO Cc1cc(N[C@@H](c2nccn2C)c2ccccc2F)ncc1[N+](=O)[O-] ZINC000368538900 168369863 /nfs/dbraw/zinc/36/98/63/168369863.db2.gz NHQWLEHOCSBMSC-MRXNPFEDSA-N 1 0 341.346 3.372 20 5 EGBDRO CC[NH+](CC)[C@@H]1CCN(c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000062984514 214740369 /nfs/dbraw/zinc/74/03/69/214740369.db2.gz UDGAQEMPCGCSPS-GFCCVEGCSA-N 1 0 342.237 3.278 20 5 EGBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000175163646 231396764 /nfs/dbraw/zinc/39/67/64/231396764.db2.gz YWKRSCIOUBFYQX-GHMZBOCLSA-N 1 0 340.811 3.243 20 5 EGBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000068134315 215280498 /nfs/dbraw/zinc/28/04/98/215280498.db2.gz JBDIVOAGDLCWDA-MZEUMTGBSA-N 1 0 343.427 3.085 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)N[C@@H](C)c2cccs2)cc1[N+](=O)[O-] ZINC000181816377 234334113 /nfs/dbraw/zinc/33/41/13/234334113.db2.gz UFGDAWQHVFJFKM-OLZOCXBDSA-N 1 0 347.440 3.493 20 5 EGBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000357808776 283177348 /nfs/dbraw/zinc/17/73/48/283177348.db2.gz BOTHLCWXGJGMFB-ZIAGYGMSSA-N 1 0 336.436 3.075 20 5 EGBDRO CC(C)[NH2+]C1CCN(Cc2cc([N+](=O)[O-])ccc2OC(C)C)CC1 ZINC000108367967 219849956 /nfs/dbraw/zinc/84/99/56/219849956.db2.gz YTOXNIMEYHOOGZ-UHFFFAOYSA-N 1 0 335.448 3.344 20 5 EGBDRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000072620755 216282760 /nfs/dbraw/zinc/28/27/60/216282760.db2.gz AFZXWVQKCPNRLR-LBPRGKRZSA-N 1 0 341.839 3.489 20 5 EGBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@H](c2ccccc2)C2CC2)c1 ZINC000023678823 212388613 /nfs/dbraw/zinc/38/86/13/212388613.db2.gz ZNSVXXABKYUTSF-PKOBYXMFSA-N 1 0 342.395 3.075 20 5 EGBDRO CC(C)c1ccc([C@H]([NH3+])CNC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000236767526 242352625 /nfs/dbraw/zinc/35/26/25/242352625.db2.gz IKHPWVSNJHBAAK-GOSISDBHSA-N 1 0 341.411 3.077 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](O)c1ccc(C)cc1 ZINC000236848663 242380224 /nfs/dbraw/zinc/38/02/24/242380224.db2.gz UHRRVFKKNWIBBV-QGZVFWFLSA-N 1 0 330.384 3.125 20 5 EGBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000264889120 247012517 /nfs/dbraw/zinc/01/25/17/247012517.db2.gz DXKHEIRTCHUVTB-CYBMUJFWSA-N 1 0 339.823 3.243 20 5 EGBDRO C[C@H](Cn1cccn1)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000264945713 247072425 /nfs/dbraw/zinc/07/24/25/247072425.db2.gz IQQMNURVGZQHPU-GFCCVEGCSA-N 1 0 343.412 3.093 20 5 EGBDRO COC1CCC([N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000265202181 247294754 /nfs/dbraw/zinc/29/47/54/247294754.db2.gz JUSORUCKSHOWNP-UHFFFAOYSA-N 1 0 349.431 3.121 20 5 EGBDRO COC1CCC([N@H+](C)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000265235032 247324173 /nfs/dbraw/zinc/32/41/73/247324173.db2.gz NKYSQTVUKNOLFL-UHFFFAOYSA-N 1 0 346.387 3.034 20 5 EGBDRO C[C@@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CCOC1 ZINC000266158502 248138333 /nfs/dbraw/zinc/13/83/33/248138333.db2.gz MRDZAWHFSYGSTK-YPMHNXCESA-N 1 0 333.413 3.233 20 5 EGBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000408258392 169167762 /nfs/dbraw/zinc/16/77/62/169167762.db2.gz WFRIWURHICBTII-UMVBOHGHSA-N 1 0 349.406 3.211 20 5 EGBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)C1 ZINC000091984650 218098231 /nfs/dbraw/zinc/09/82/31/218098231.db2.gz FVSBNULFIGBPBD-OAHLLOKOSA-N 1 0 333.432 3.076 20 5 EGBDRO CC[NH+](CC)C[C@H]1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000092658471 218157409 /nfs/dbraw/zinc/15/74/09/218157409.db2.gz MJQSPFZDTRUWMO-GFCCVEGCSA-N 1 0 343.374 3.364 20 5 EGBDRO CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000092707620 218159782 /nfs/dbraw/zinc/15/97/82/218159782.db2.gz GRNAZQBYIJMJNW-INIZCTEOSA-N 1 0 333.432 3.032 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@H+](CCC(F)(F)F)CC2CC2)c1 ZINC000154429770 224252757 /nfs/dbraw/zinc/25/27/57/224252757.db2.gz UGLIFQHFVLTEQH-CQSZACIVSA-N 1 0 332.322 3.293 20 5 EGBDRO Cc1c(C[N@H+]2CCC[C@H](c3nncn3C(C)C)C2)cccc1[N+](=O)[O-] ZINC000118860857 221198822 /nfs/dbraw/zinc/19/88/22/221198822.db2.gz ADCRJZSZRXLJKU-INIZCTEOSA-N 1 0 343.431 3.455 20 5 EGBDRO CCOCc1ccccc1C[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000119561696 221347900 /nfs/dbraw/zinc/34/79/00/221347900.db2.gz KVKSYDSHOGDPNE-UHFFFAOYSA-N 1 0 330.384 3.430 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](C)Cn1ccnc1C ZINC000344792448 533384429 /nfs/dbraw/zinc/38/44/29/533384429.db2.gz MSIMUQPFQXIPFF-MZLJFPOFSA-N 1 0 328.416 3.429 20 5 EGBDRO C[C@@H]1CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C[C@H]1n1ccnc1 ZINC000246806921 141035855 /nfs/dbraw/zinc/03/58/55/141035855.db2.gz QXCFVDDCZXEJEN-WFEZPHLISA-N 1 0 326.400 3.388 20 5 EGBDRO Cn1ncc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c1C(F)(F)F ZINC000338379076 141111847 /nfs/dbraw/zinc/11/18/47/141111847.db2.gz ISCVENJKIOPVMQ-UHFFFAOYSA-N 1 0 342.321 3.022 20 5 EGBDRO COc1ccc([C@H](C[NH+](C)C)NCc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000341215485 141139754 /nfs/dbraw/zinc/13/97/54/141139754.db2.gz SVVDMNGCSMBVMC-SFHVURJKSA-N 1 0 347.390 3.135 20 5 EGBDRO C[C@H]([NH2+][C@@H](C)[C@H]1CCCOC1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000348146220 141238708 /nfs/dbraw/zinc/23/87/08/141238708.db2.gz ULMBODJWYOSGLM-OBJOEFQTSA-N 1 0 346.387 3.111 20 5 EGBDRO CCN(CCC[NH+](C)C)C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000348165078 141241839 /nfs/dbraw/zinc/24/18/39/141241839.db2.gz IDNIMJQRFDXFGW-UHFFFAOYSA-N 1 0 335.448 3.306 20 5 EGBDRO Cc1cc(NCC[C@@H](C)[N@H+](C)Cc2ccccc2)ncc1[N+](=O)[O-] ZINC000353447576 141297990 /nfs/dbraw/zinc/29/79/90/141297990.db2.gz IRTLQGUKXIZWLA-OAHLLOKOSA-N 1 0 328.416 3.043 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)n1 ZINC000178211110 144066217 /nfs/dbraw/zinc/06/62/17/144066217.db2.gz LOBZPVMIGPZKMY-KRWDZBQOSA-N 1 0 340.427 3.275 20 5 EGBDRO Cc1c(C[N@H+]2CCC[C@@H](CC(=O)OC(C)C)C2)cccc1[N+](=O)[O-] ZINC000184479433 144093070 /nfs/dbraw/zinc/09/30/70/144093070.db2.gz SIZDTWAFOCLDMS-HNNXBMFYSA-N 1 0 334.416 3.457 20 5 EGBDRO C[C@@H]1C[C@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[N@@H+]1C ZINC000344634202 144202908 /nfs/dbraw/zinc/20/29/08/144202908.db2.gz RQUTVSXNEPGKME-TZMCWYRMSA-N 1 0 346.456 3.291 20 5 EGBDRO C[C@@H]1C[C@H](NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC[N@@H+]1C ZINC000344691234 144210491 /nfs/dbraw/zinc/21/04/91/144210491.db2.gz YFUCSSHKSGZAQT-UKRRQHHQSA-N 1 0 329.400 3.427 20 5 EGBDRO CC(C)[C@@H]1C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CCO1 ZINC000351248234 144261237 /nfs/dbraw/zinc/26/12/37/144261237.db2.gz FTWVSIGKJXESIV-KRWDZBQOSA-N 1 0 345.399 3.149 20 5 EGBDRO CCC(CC)[C@@H](CNc1cccc(C(N)=O)c1[N+](=O)[O-])[NH+]1CCCC1 ZINC000341416849 155281327 /nfs/dbraw/zinc/28/13/27/155281327.db2.gz JAXKIYXMVPNPHQ-MRXNPFEDSA-N 1 0 348.447 3.006 20 5 EGBDRO C[C@H](C1CC1)[N@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C1CC1 ZINC000117335237 152093928 /nfs/dbraw/zinc/09/39/28/152093928.db2.gz BYOMETKDBYFLJG-GFCCVEGCSA-N 1 0 345.399 3.156 20 5 EGBDRO CC[C@H]1CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000117344226 152095193 /nfs/dbraw/zinc/09/51/93/152095193.db2.gz VJQOTJOJZBCSIF-AWEZNQCLSA-N 1 0 349.431 3.444 20 5 EGBDRO CCC[C@@H]([NH2+]CC(C)(C)N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000120233861 152261649 /nfs/dbraw/zinc/26/16/49/152261649.db2.gz XBMWDPOCUOMRHO-QGZVFWFLSA-N 1 0 335.448 3.136 20 5 EGBDRO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(OC)c([N+](=O)[O-])c2)C12CCC2 ZINC000120811426 152302145 /nfs/dbraw/zinc/30/21/45/152302145.db2.gz YZSXXQCLPUQXMM-IAGOWNOFSA-N 1 0 334.416 3.383 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(N2CC[N@H+](Cc3ccccc3)C(C)(C)C2)n1 ZINC000360673440 292286877 /nfs/dbraw/zinc/28/68/77/292286877.db2.gz AWIRAOOLLLSDMN-UHFFFAOYSA-N 1 0 340.427 3.399 20 5 EGBDRO O=[N+]([O-])c1cccc2c(N3CC[NH+](Cc4ccccc4)CC3)ccnc21 ZINC000311886148 154149595 /nfs/dbraw/zinc/14/95/95/154149595.db2.gz XCCQBVPELJNZTI-UHFFFAOYSA-N 1 0 348.406 3.465 20 5 EGBDRO O=c1ccccn1C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000337290673 154264223 /nfs/dbraw/zinc/26/42/23/154264223.db2.gz MGLMWQGQYYCJEP-LJQANCHMSA-N 1 0 349.390 3.288 20 5 EGBDRO COc1ccc(-c2ccc(C[NH2+]CCC[C@H](C)CO)o2)c([N+](=O)[O-])c1 ZINC000340103004 155099459 /nfs/dbraw/zinc/09/94/59/155099459.db2.gz BIJJABMFMRTCOP-ZDUSSCGKSA-N 1 0 348.399 3.362 20 5 EGBDRO COc1ccc(OCC[N@@H+]2CCC[C@H]2c2cccnc2)c([N+](=O)[O-])c1 ZINC000346965342 156220165 /nfs/dbraw/zinc/22/01/65/156220165.db2.gz CBSZWLWEJDSJCV-INIZCTEOSA-N 1 0 343.383 3.214 20 5 EGBDRO COc1ccc(CN(CC[NH+](C)C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000348895695 156278653 /nfs/dbraw/zinc/27/86/53/156278653.db2.gz ROUJLCUWFMECPH-UHFFFAOYSA-N 1 0 343.427 3.167 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCOC3(CCOCC3)C2)cc1[N+](=O)[O-] ZINC000358287184 156789260 /nfs/dbraw/zinc/78/92/60/156789260.db2.gz AQINOOWWHJBVJX-GOEBONIOSA-N 1 0 334.416 3.282 20 5 EGBDRO CCOc1ccc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000365510600 157151245 /nfs/dbraw/zinc/15/12/45/157151245.db2.gz KTFURDOLPFVQDG-UHFFFAOYSA-N 1 0 330.388 3.027 20 5 EGBDRO CCOc1cc(C[N@@H+]2CCC3(CCOCC3)[C@H]2C)ccc1[N+](=O)[O-] ZINC000372811978 157389213 /nfs/dbraw/zinc/38/92/13/157389213.db2.gz MXRIDNHLVXABTB-CQSZACIVSA-N 1 0 334.416 3.385 20 5 EGBDRO O=C(Nc1cccc(CC[NH+]2CCCC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000094123013 162041093 /nfs/dbraw/zinc/04/10/93/162041093.db2.gz OATGYRGGYHEBBG-UHFFFAOYSA-N 1 0 339.395 3.485 20 5 EGBDRO Cc1c([C@H](C)[NH2+]Cc2ccc(NC(N)=O)cc2)cccc1[N+](=O)[O-] ZINC000130928702 162384060 /nfs/dbraw/zinc/38/40/60/162384060.db2.gz YYQLGYBSBMXOTO-LBPRGKRZSA-N 1 0 328.372 3.245 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@@H]3CCC[C@H](O)C3)cs2)c1 ZINC000304261738 163067901 /nfs/dbraw/zinc/06/79/01/163067901.db2.gz BZGLAMBLIGNRCI-WBMJQRKESA-N 1 0 347.440 3.359 20 5 EGBDRO Cc1c(C(=O)Nc2cccc(OCC[NH+](C)C)c2)cccc1[N+](=O)[O-] ZINC000337247463 163178229 /nfs/dbraw/zinc/17/82/29/163178229.db2.gz IFHIBOFCHGUKBC-UHFFFAOYSA-N 1 0 343.383 3.096 20 5 EGBDRO C[C@@H](C(=O)NC1CCC(C)CC1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338346055 163218557 /nfs/dbraw/zinc/21/85/57/163218557.db2.gz GTVGJVXRQIGVIW-CKDBGZEDSA-N 1 0 347.459 3.153 20 5 EGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCc1cnccn1 ZINC000341886237 163731097 /nfs/dbraw/zinc/73/10/97/163731097.db2.gz XQBDONVDJLZEOW-ZDUSSCGKSA-N 1 0 332.429 3.088 20 5 EGBDRO C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc(F)c2ccccc21 ZINC000344137622 164112807 /nfs/dbraw/zinc/11/28/07/164112807.db2.gz ICUZDJXKKWVXQL-GFCCVEGCSA-N 1 0 328.347 3.434 20 5 EGBDRO C[N@H+](CCc1ccccc1O)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000344166583 164118496 /nfs/dbraw/zinc/11/84/96/164118496.db2.gz MNDOYXGBMJLNHF-UHFFFAOYSA-N 1 0 327.340 3.116 20 5 EGBDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344186231 164122246 /nfs/dbraw/zinc/12/22/46/164122246.db2.gz DFNXYYOUVCJEHA-CYBMUJFWSA-N 1 0 337.395 3.118 20 5 EGBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000344203268 164126038 /nfs/dbraw/zinc/12/60/38/164126038.db2.gz CZMQZPPEKABCDL-DVOMOZLQSA-N 1 0 349.406 3.211 20 5 EGBDRO C[C@@H]1CCCC[C@@H]1OCC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000345633638 164231313 /nfs/dbraw/zinc/23/13/13/164231313.db2.gz KPTVGKJURMWPMM-INMHGKMJSA-N 1 0 348.447 3.071 20 5 EGBDRO Cc1[nH+]ccc(N2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1Cl ZINC000350310831 165027808 /nfs/dbraw/zinc/02/78/08/165027808.db2.gz CKCQGNJFRLQXBE-UHFFFAOYSA-N 1 0 332.791 3.278 20 5 EGBDRO CC[N@H+](Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)[C@H](C)C(C)C ZINC000355607524 166259479 /nfs/dbraw/zinc/25/94/79/166259479.db2.gz MTPMFHSCQNMYED-CYBMUJFWSA-N 1 0 338.404 3.013 20 5 EGBDRO CC(=O)Nc1ccc([C@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000359231917 167102158 /nfs/dbraw/zinc/10/21/58/167102158.db2.gz QTVYUJCNPDVCAI-ZDUSSCGKSA-N 1 0 327.384 3.447 20 5 EGBDRO Cn1ccnc1N1CCC(Nc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000367426819 168223423 /nfs/dbraw/zinc/22/34/23/168223423.db2.gz SMRIHYHSEAHWGL-UHFFFAOYSA-N 1 0 335.795 3.063 20 5 EGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](c1ccco1)N(C)C ZINC000154150111 533682224 /nfs/dbraw/zinc/68/22/24/533682224.db2.gz BPQCPEQLXRGJJY-WMLDXEAASA-N 1 0 331.416 3.401 20 5 EGBDRO CC[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(OC)cc1 ZINC000124143754 222382005 /nfs/dbraw/zinc/38/20/05/222382005.db2.gz USIIRHUYSARCRM-OAHLLOKOSA-N 1 0 343.383 3.283 20 5 EGBDRO C[C@H]([NH2+]CCN1CCc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000173305193 264973075 /nfs/dbraw/zinc/97/30/75/264973075.db2.gz VOAOHBUISISDKJ-HNNXBMFYSA-N 1 0 325.412 3.304 20 5 EGBDRO C[C@@H]1[C@H](c2ccccc2)CC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000177547905 265263153 /nfs/dbraw/zinc/26/31/53/265263153.db2.gz WERVVXCYQDNOGO-GDBMZVCRSA-N 1 0 339.395 3.411 20 5 EGBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000177603283 265266737 /nfs/dbraw/zinc/26/67/37/265266737.db2.gz QRXPGADCZKDXIU-OLZOCXBDSA-N 1 0 347.440 3.412 20 5 EGBDRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H]2CCCC2(C)C)c([N+](=O)[O-])c1 ZINC000191856581 265936532 /nfs/dbraw/zinc/93/65/32/265936532.db2.gz JQNUFVVTBWXHCY-IAQYHMDHSA-N 1 0 335.404 3.099 20 5 EGBDRO COC(=O)[C@H]1CC[C@@H]([NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000193873002 266070312 /nfs/dbraw/zinc/07/03/12/266070312.db2.gz XYFJULIHEZIRID-LLLHUVSDSA-N 1 0 346.427 3.237 20 5 EGBDRO CCC[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000269649261 266333744 /nfs/dbraw/zinc/33/37/44/266333744.db2.gz MABMZXQIFWIWFP-FJIDUMEYSA-N 1 0 348.443 3.154 20 5 EGBDRO C[C@@H](NC(=O)c1ccc(F)cc1[N+](=O)[O-])[C@@H](c1ccccc1)[NH+](C)C ZINC000274570786 267255428 /nfs/dbraw/zinc/25/54/28/267255428.db2.gz ATEXCLLASSSJSA-PXAZEXFGSA-N 1 0 345.374 3.155 20 5 EGBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2c2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000276934500 267656286 /nfs/dbraw/zinc/65/62/86/267656286.db2.gz AFNZIXXYTQYRHD-PBHICJAKSA-N 1 0 326.400 3.064 20 5 EGBDRO Cc1c2ccccc2oc1[C@@H](C)[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000183630032 274669481 /nfs/dbraw/zinc/66/94/81/274669481.db2.gz PXIBWHHSIPHRAC-CYBMUJFWSA-N 1 0 341.367 3.162 20 5 EGBDRO O=[N+]([O-])c1cc(Br)ccc1N1CC[NH+](C2CCC2)CC1 ZINC000336891397 275032918 /nfs/dbraw/zinc/03/29/18/275032918.db2.gz IPCWYOHTMHLUGX-UHFFFAOYSA-N 1 0 340.221 3.032 20 5 EGBDRO C[NH+](C)Cc1cccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c1 ZINC000047452599 275141736 /nfs/dbraw/zinc/14/17/36/275141736.db2.gz FJHRLMNILKKAMN-DHZHZOJOSA-N 1 0 325.368 3.308 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+]C(C)(C)c1nccs1 ZINC000118847805 275189758 /nfs/dbraw/zinc/18/97/58/275189758.db2.gz HBRDQPRLIYNSCV-UHFFFAOYSA-N 1 0 348.428 3.213 20 5 EGBDRO COc1ccc(NC(=O)CC[NH2+][C@@H](C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000181358139 275206412 /nfs/dbraw/zinc/20/64/12/275206412.db2.gz DABJKWNOGOHQJI-ZDUSSCGKSA-N 1 0 343.383 3.283 20 5 EGBDRO C[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1cccc(O)c1 ZINC000181492518 275207276 /nfs/dbraw/zinc/20/72/76/275207276.db2.gz GGXTVTNWFIVYEV-JTQLQIEISA-N 1 0 349.774 3.243 20 5 EGBDRO COc1cc(N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(F)cc1[N+](=O)[O-] ZINC000271070958 275237784 /nfs/dbraw/zinc/23/77/84/275237784.db2.gz FCDQULLRABKOHD-DOMZBBRYSA-N 1 0 349.406 3.196 20 5 EGBDRO CC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000279303224 275320994 /nfs/dbraw/zinc/32/09/94/275320994.db2.gz QMMIJDABRYQERK-SCRDCRAPSA-N 1 0 335.404 3.099 20 5 EGBDRO CC1(C)CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCS1 ZINC000279706959 275351714 /nfs/dbraw/zinc/35/17/14/275351714.db2.gz JUBMJEFBWGUXEQ-UHFFFAOYSA-N 1 0 337.445 3.141 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1C[C@H](C)OC2(CCOCC2)C1 ZINC000279849304 275365735 /nfs/dbraw/zinc/36/57/35/275365735.db2.gz RZLKXXJSZWGYKT-LSDHHAIUSA-N 1 0 334.416 3.234 20 5 EGBDRO COCc1cc(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)ccc1F ZINC000283874096 275757851 /nfs/dbraw/zinc/75/78/51/275757851.db2.gz BYZKZBZSXMMXOT-NSHDSACASA-N 1 0 333.363 3.313 20 5 EGBDRO C[C@H]([NH2+][C@@H](C)[C@H](O)c1cccc(F)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285264017 275860432 /nfs/dbraw/zinc/86/04/32/275860432.db2.gz QNINJKNTVDAPMJ-DINDLPBHSA-N 1 0 333.363 3.089 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000287160248 276090695 /nfs/dbraw/zinc/09/06/95/276090695.db2.gz MTZMKSYVQAHFPY-GOEBONIOSA-N 1 0 346.431 3.302 20 5 EGBDRO C[C@H](C[S@@](C)=O)N(C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000289304078 276318923 /nfs/dbraw/zinc/31/89/23/276318923.db2.gz BVAREYOEINDVNL-ZPWHCFADSA-N 1 0 339.244 3.100 20 5 EGBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cnc(C(C)(C)C)nc1 ZINC000289568018 276359061 /nfs/dbraw/zinc/35/90/61/276359061.db2.gz SHNAZMMCBXZNTB-UHFFFAOYSA-N 1 0 328.416 3.357 20 5 EGBDRO NC(=O)[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000289601532 276364403 /nfs/dbraw/zinc/36/44/03/276364403.db2.gz SXURVGVSCYGJIU-JQWIXIFHSA-N 1 0 346.214 3.035 20 5 EGBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000289629507 276368954 /nfs/dbraw/zinc/36/89/54/276368954.db2.gz RVNXRULYNSZVCG-DLBZAZTESA-N 1 0 332.400 3.007 20 5 EGBDRO Cc1nnc(CC[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)s1 ZINC000289812320 276399200 /nfs/dbraw/zinc/39/92/00/276399200.db2.gz LPWRFLSZKNJCSD-UHFFFAOYSA-N 1 0 344.396 3.347 20 5 EGBDRO C[C@@H](CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)C[NH+](C)C ZINC000291806137 276693857 /nfs/dbraw/zinc/69/38/57/276693857.db2.gz XQKSLONNUZUTSZ-LBPRGKRZSA-N 1 0 334.445 3.006 20 5 EGBDRO CC(C)c1ccc(C(=O)N2CCC3(CCC[N@@H+]3C)CC2)cc1[N+](=O)[O-] ZINC000364749053 278022544 /nfs/dbraw/zinc/02/25/44/278022544.db2.gz KJYDVPQWWOVAIS-UHFFFAOYSA-N 1 0 345.443 3.419 20 5 EGBDRO CC(=O)c1ccc(N2CCC[C@@H]2C[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000160459203 278246924 /nfs/dbraw/zinc/24/69/24/278246924.db2.gz SUFWTHZTZAJXHF-MRXNPFEDSA-N 1 0 331.416 3.252 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)N2CCCCCC2)cc1[N+](=O)[O-] ZINC000178687963 278854960 /nfs/dbraw/zinc/85/49/60/278854960.db2.gz BWSIZPHDUBTRTR-LSDHHAIUSA-N 1 0 333.432 3.345 20 5 EGBDRO C[C@H](C[NH+]1CCCCCC1)NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000359326232 279305042 /nfs/dbraw/zinc/30/50/42/279305042.db2.gz DOOWQYCJRZJGOX-GFCCVEGCSA-N 1 0 338.383 3.120 20 5 EGBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000413528280 309035932 /nfs/dbraw/zinc/03/59/32/309035932.db2.gz DAIDUMBHXUGRAF-OAHLLOKOSA-N 1 0 326.400 3.009 20 5 EGBDRO CC(C)(C)OC(=O)NC[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000072037880 307378620 /nfs/dbraw/zinc/37/86/20/307378620.db2.gz KUNVAWSRVIWROW-OAHLLOKOSA-N 1 0 349.431 3.332 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](CC(C)C)C1 ZINC000072492237 307379340 /nfs/dbraw/zinc/37/93/40/307379340.db2.gz PRFKIHNGBQVDIK-CQSZACIVSA-N 1 0 349.431 3.300 20 5 EGBDRO CCOc1ccc(NC(=O)C[NH2+]C(CC)(CC)CC)c([N+](=O)[O-])c1 ZINC000118990735 307489040 /nfs/dbraw/zinc/48/90/40/307489040.db2.gz DWVFTJMCAVNEOH-UHFFFAOYSA-N 1 0 337.420 3.490 20 5 EGBDRO C[C@H](C[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(F)(F)F ZINC000414279960 309070329 /nfs/dbraw/zinc/07/03/29/309070329.db2.gz KHDGWKAHLNOMPX-QWRGUYRKSA-N 1 0 347.337 3.490 20 5 EGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](CO)c1ccc(F)cc1 ZINC000414282934 309070475 /nfs/dbraw/zinc/07/04/75/309070475.db2.gz DRPMXXDRPWNVDC-YOEHRIQHSA-N 1 0 346.402 3.421 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@H]2CC[C@H](CO)CC2)o1 ZINC000268302333 308066011 /nfs/dbraw/zinc/06/60/11/308066011.db2.gz YIEJOULNGHRHBC-HDJSIYSDSA-N 1 0 330.384 3.496 20 5 EGBDRO COc1cc(C[NH2+][C@@H](C(C)C)C2(CO)CCC2)c([N+](=O)[O-])cc1F ZINC000293204323 308109063 /nfs/dbraw/zinc/10/90/63/308109063.db2.gz XDGRUTOSZFTGTG-INIZCTEOSA-N 1 0 340.395 3.019 20 5 EGBDRO O=C(NCCCCC[NH+]1CCCC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000293808229 308163993 /nfs/dbraw/zinc/16/39/93/308163993.db2.gz BVFIYDBJKMEVOV-UHFFFAOYSA-N 1 0 339.823 3.244 20 5 EGBDRO CC[NH+](CC)[C@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])c1ccccc1 ZINC000294554143 308231708 /nfs/dbraw/zinc/23/17/08/308231708.db2.gz UCZIPFAHMWDLDW-MRXNPFEDSA-N 1 0 335.448 3.021 20 5 EGBDRO CC[NH+](CC)[C@@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])c1ccccc1 ZINC000294554140 308231813 /nfs/dbraw/zinc/23/18/13/308231813.db2.gz UCZIPFAHMWDLDW-INIZCTEOSA-N 1 0 335.448 3.021 20 5 EGBDRO CC[C@@H](C)[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)OC ZINC000294749786 308252936 /nfs/dbraw/zinc/25/29/36/308252936.db2.gz ICUUXTKVTNWEJK-CXAGYDPISA-N 1 0 346.431 3.146 20 5 EGBDRO C[C@H](C[C@@H](O)c1cccs1)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294814009 308260067 /nfs/dbraw/zinc/26/00/67/308260067.db2.gz PWSBIIIRRHATLA-JRPNMDOOSA-N 1 0 335.429 3.401 20 5 EGBDRO C[C@@H](CCCCO)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000295067782 308287282 /nfs/dbraw/zinc/28/72/82/308287282.db2.gz OYMJUJXWZPWWFA-LBPRGKRZSA-N 1 0 335.429 3.359 20 5 EGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000295079377 308289039 /nfs/dbraw/zinc/28/90/39/308289039.db2.gz BAFMRXGOAFGZJI-ZIAGYGMSSA-N 1 0 333.432 3.269 20 5 EGBDRO CC[C@@](C[NH2+]Cc1cccc([N+](=O)[O-])c1)(C(=O)OC)c1ccccc1 ZINC000414595674 309091127 /nfs/dbraw/zinc/09/11/27/309091127.db2.gz ZJJDGIQZRLQKOV-IBGZPJMESA-N 1 0 342.395 3.205 20 5 EGBDRO O=C(NCCCCC[NH+]1CCCC1)c1cc([N+](=O)[O-])ccc1Cl ZINC000295676370 308349518 /nfs/dbraw/zinc/34/95/18/308349518.db2.gz UZXQKGMYODRUCU-UHFFFAOYSA-N 1 0 339.823 3.244 20 5 EGBDRO CN(c1ccccc1)c1ccc(CN2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000414655664 309093883 /nfs/dbraw/zinc/09/38/83/309093883.db2.gz LFZLEZNZIOSQMH-UHFFFAOYSA-N 1 0 340.427 3.158 20 5 EGBDRO C[C@H](C[NH3+])N(C)Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000414665969 309094496 /nfs/dbraw/zinc/09/44/96/309094496.db2.gz VYLFSQAMXGNHHV-CQSZACIVSA-N 1 0 328.416 3.142 20 5 EGBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)N(C)C1CCCCC1 ZINC000296674774 308454737 /nfs/dbraw/zinc/45/47/37/308454737.db2.gz HJKPQXQVHRBNKQ-UONOGXRCSA-N 1 0 333.432 3.425 20 5 EGBDRO [NH3+]C[C@H]1CCCC[C@H]1NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000414811427 309103080 /nfs/dbraw/zinc/10/30/80/309103080.db2.gz WGKRJOMZQSBBGA-CZUORRHYSA-N 1 0 346.456 3.325 20 5 EGBDRO CCC(CC)(CC)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000298734614 308636649 /nfs/dbraw/zinc/63/66/49/308636649.db2.gz VNBKFSYEEMMVDN-UHFFFAOYSA-N 1 0 337.420 3.490 20 5 EGBDRO O=C(CC[NH2+]C1(c2cccc(F)c2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000298974826 308652238 /nfs/dbraw/zinc/65/22/38/308652238.db2.gz PGUPJTSZLRHNDI-UHFFFAOYSA-N 1 0 343.358 3.341 20 5 EGBDRO Cc1nn(C)c(NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000301488063 308702209 /nfs/dbraw/zinc/70/22/09/308702209.db2.gz ZGMFFUDDHPXDRS-CYBMUJFWSA-N 1 0 337.811 3.005 20 5 EGBDRO COc1ccccc1[C@@H](CNc1ccc([N+](=O)[O-])c(C)n1)[NH+](C)C ZINC000301632395 308708212 /nfs/dbraw/zinc/70/82/12/308708212.db2.gz JRFIHALRZWSQBB-OAHLLOKOSA-N 1 0 330.388 3.022 20 5 EGBDRO Cc1c(C[NH2+][C@H](C)CC(=O)Nc2ccccc2)cccc1[N+](=O)[O-] ZINC000326371700 308770697 /nfs/dbraw/zinc/77/06/97/308770697.db2.gz ZKWSDQFARQCQGW-CYBMUJFWSA-N 1 0 327.384 3.410 20 5 EGBDRO C[C@H]1C[C@H](C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CCO1 ZINC000332153669 308828229 /nfs/dbraw/zinc/82/82/29/308828229.db2.gz WICHOJFPUSSWOO-LSDHHAIUSA-N 1 0 334.416 3.253 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000332407154 308836591 /nfs/dbraw/zinc/83/65/91/308836591.db2.gz IENISBWWOKHKIV-HUUCEWRRSA-N 1 0 346.431 3.065 20 5 EGBDRO CC(C)C[C@H]1OCCC[C@@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411555483 308943973 /nfs/dbraw/zinc/94/39/73/308943973.db2.gz HAVSRVMPBCQAPK-DLBZAZTESA-N 1 0 349.431 3.107 20 5 EGBDRO C[NH+](C)[C@@H](CNc1ncc([N+](=O)[O-])cc1C(F)(F)F)c1ccco1 ZINC000413025667 309012242 /nfs/dbraw/zinc/01/22/42/309012242.db2.gz RRUKYUXFTAXVMN-NSHDSACASA-N 1 0 344.293 3.316 20 5 EGBDRO CC[NH+](CC)C[C@H]1CCN(c2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413167433 309019141 /nfs/dbraw/zinc/01/91/41/309019141.db2.gz KEENQVZAERDQIT-CQSZACIVSA-N 1 0 328.416 3.311 20 5 EGBDRO C[C@H](c1ccncc1)[NH+]1CCC(Nc2ncc([N+](=O)[O-])cc2F)CC1 ZINC000413197856 309020972 /nfs/dbraw/zinc/02/09/72/309020972.db2.gz GLDTWKJGPOWGCB-GFCCVEGCSA-N 1 0 345.378 3.161 20 5 EGBDRO CCC[C@@H](C)C(=O)NCCNc1nccc2ccc([N+](=O)[O-])cc21 ZINC000413304904 309025905 /nfs/dbraw/zinc/02/59/05/309025905.db2.gz QPBSSCBELUGTFH-GFCCVEGCSA-N 1 0 330.388 3.107 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(CN[C@@H]2CC[NH2+]C2)cc1 ZINC000414889095 309107480 /nfs/dbraw/zinc/10/74/80/309107480.db2.gz SPPAZWZDLGPLAW-CQSZACIVSA-N 1 0 347.802 3.492 20 5 EGBDRO O=[N+]([O-])c1cc(CN[C@H]2CC[NH2+]C2)ccc1Oc1ccccc1Cl ZINC000414889825 309107564 /nfs/dbraw/zinc/10/75/64/309107564.db2.gz UJDVOXOCKNTPRO-ZDUSSCGKSA-N 1 0 347.802 3.492 20 5 EGBDRO [NH3+]CC[C@@H](NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(F)(F)F ZINC000415058028 309117225 /nfs/dbraw/zinc/11/72/25/309117225.db2.gz QXYXTLILJYVEFR-CQSZACIVSA-N 1 0 343.305 3.224 20 5 EGBDRO [NH3+][C@@H]1CN(C/C=C\c2ccccc2[N+](=O)[O-])C[C@H]1c1cccc(F)c1 ZINC000415130769 309122639 /nfs/dbraw/zinc/12/26/39/309122639.db2.gz XQEXQWLEXXAQMI-WMJZJUHNSA-N 1 0 341.386 3.174 20 5 EGBDRO Cc1cc(NC(=O)N(CCC[NH3+])Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000415428945 309133289 /nfs/dbraw/zinc/13/32/89/309133289.db2.gz HQCGWZCLPSPSSS-UHFFFAOYSA-N 1 0 342.399 3.286 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCCO[C@H]1CCOC1)CCCC2 ZINC000417310201 309201174 /nfs/dbraw/zinc/20/11/74/309201174.db2.gz JRVXLXBVGFXFBA-FUHWJXTLSA-N 1 0 334.416 3.148 20 5 EGBDRO O=C(NCCC[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21)C1CCC1 ZINC000417314155 309201277 /nfs/dbraw/zinc/20/12/77/309201277.db2.gz YGAOUCXNIIHNCI-GOSISDBHSA-N 1 0 345.443 3.258 20 5 EGBDRO C[C@@H](CCCC[NH3+])NC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000418714370 309254483 /nfs/dbraw/zinc/25/44/83/309254483.db2.gz XZALXWVLQODIMC-HOCLYGCPSA-N 1 0 348.447 3.001 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(=O)n1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000418943485 309258641 /nfs/dbraw/zinc/25/86/41/309258641.db2.gz CABILQXJCZNOPX-UHFFFAOYSA-N 1 0 341.411 3.099 20 5 EGBDRO COC1(C(F)(F)F)CC[NH+](Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000419338170 309264830 /nfs/dbraw/zinc/26/48/30/309264830.db2.gz WNKSYJSBUCNNPF-UHFFFAOYSA-N 1 0 332.322 3.447 20 5 EGBDRO Cc1cc(N2CCC[C@@H]([C@H](C)[NH3+])C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420195418 309277021 /nfs/dbraw/zinc/27/70/21/309277021.db2.gz VXADKOPMEFCREX-WDEREUQCSA-N 1 0 331.338 3.486 20 5 EGBDRO CCc1ccccc1[C@H]([NH3+])CNc1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000420264773 309278713 /nfs/dbraw/zinc/27/87/13/309278713.db2.gz BHNKWIQVASMYRF-MRXNPFEDSA-N 1 0 327.384 3.472 20 5 EGBDRO CC[C@@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@H](CC)O1 ZINC000420959226 309304425 /nfs/dbraw/zinc/30/44/25/309304425.db2.gz PYRIZIYCDUVMER-IYBDPMFKSA-N 1 0 349.431 3.121 20 5 EGBDRO C[C@H]1C[C@@H](CO)C[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000421364385 309320523 /nfs/dbraw/zinc/32/05/23/309320523.db2.gz RVHVCYXVEFNNCX-QWHCGFSZSA-N 1 0 347.440 3.169 20 5 EGBDRO CC(=O)N[C@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000421382126 309321933 /nfs/dbraw/zinc/32/19/33/309321933.db2.gz BIWUXAYXARGHRK-AWEZNQCLSA-N 1 0 345.424 3.034 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000421506389 309327581 /nfs/dbraw/zinc/32/75/81/309327581.db2.gz PHLJTPOPCJESGF-INIZCTEOSA-N 1 0 345.443 3.206 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000421734470 309337450 /nfs/dbraw/zinc/33/74/50/309337450.db2.gz DEUQQWGZCVFRLR-OAHLLOKOSA-N 1 0 347.440 3.306 20 5 EGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C1CCN(OC)CC1 ZINC000421871402 309344433 /nfs/dbraw/zinc/34/44/33/309344433.db2.gz FXHNQEMSPHWETR-ZDUSSCGKSA-N 1 0 339.461 3.081 20 5 EGBDRO CCCN1C[C@@H](C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1=O ZINC000421891559 309345260 /nfs/dbraw/zinc/34/52/60/309345260.db2.gz VYKTWMRXJKYFSW-KDOFPFPSSA-N 1 0 345.443 3.210 20 5 EGBDRO CC[NH2+]Cc1ccccc1NC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000422740051 309366073 /nfs/dbraw/zinc/36/60/73/309366073.db2.gz MXJXDWUWPDSFDP-UHFFFAOYSA-N 1 0 343.383 3.274 20 5 EGBDRO CCc1ccc([C@@H](NC[C@@H]2CCC[NH2+]2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000423230012 309391363 /nfs/dbraw/zinc/39/13/63/309391363.db2.gz CNDMDHJNJROWRS-KSSFIOAISA-N 1 0 329.400 3.181 20 5 EGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CN)CC(C)C ZINC000423257853 309392689 /nfs/dbraw/zinc/39/26/89/309392689.db2.gz AIPQDTPDFDRUKU-ZIAGYGMSSA-N 1 0 325.478 3.429 20 5 EGBDRO [NH3+]CC1(CC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)CCCCC1 ZINC000423832641 309415463 /nfs/dbraw/zinc/41/54/63/309415463.db2.gz AHFVBNOSGJZFIT-UHFFFAOYSA-N 1 0 339.823 3.164 20 5 EGBDRO CCc1ccc(C(=O)NCc2ccc([C@@H](C)[NH3+])cc2)cc1[N+](=O)[O-] ZINC000429483117 309582731 /nfs/dbraw/zinc/58/27/31/309582731.db2.gz KBCJMXNNMXCYBH-GFCCVEGCSA-N 1 0 327.384 3.107 20 5 EGBDRO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000430813984 309618254 /nfs/dbraw/zinc/61/82/54/309618254.db2.gz HGAVIHYVPIAXNC-IRXDYDNUSA-N 1 0 347.459 3.154 20 5 EGBDRO CC1(C)C[C@H]([NH2+][C@H](CCO)C2CCOCC2)c2cc([N+](=O)[O-])ccc21 ZINC000433231681 309682981 /nfs/dbraw/zinc/68/29/81/309682981.db2.gz JTEABTVBIVNLPN-MSOLQXFVSA-N 1 0 348.443 3.084 20 5 EGBDRO CC1(C)CCc2ccccc2[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C1 ZINC000436305568 309752179 /nfs/dbraw/zinc/75/21/79/309752179.db2.gz HOLGYMVWIKSBPQ-QGZVFWFLSA-N 1 0 328.416 3.485 20 5 EGBDRO CCO[C@H](CC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)C(C)C ZINC000447562772 309982246 /nfs/dbraw/zinc/98/22/46/309982246.db2.gz MYCPDAWNKUXBOX-HRCADAONSA-N 1 0 338.452 3.316 20 5 EGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCN(Cc2ccccc2)C1 ZINC000449063788 310034132 /nfs/dbraw/zinc/03/41/32/310034132.db2.gz NUPRNBNDIGYYLI-VQIMIIECSA-N 1 0 339.439 3.390 20 5 EGBDRO CC(=O)Nc1cccc(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000449079474 310035271 /nfs/dbraw/zinc/03/52/71/310035271.db2.gz ORQJAPLOHGLVFS-CYBMUJFWSA-N 1 0 327.384 3.274 20 5 EGBDRO C[C@@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])C(=O)Nc1ccccc1 ZINC000449149598 310040460 /nfs/dbraw/zinc/04/04/60/310040460.db2.gz XLDXYOHNIVKINL-UONOGXRCSA-N 1 0 327.384 3.143 20 5 EGBDRO CC(C)NC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449151549 310040613 /nfs/dbraw/zinc/04/06/13/310040613.db2.gz XZESZACTJKXEFQ-UAGQMJEPSA-N 1 0 347.459 3.199 20 5 EGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(C[S@@](C)=O)cc1 ZINC000449321637 310053354 /nfs/dbraw/zinc/05/33/54/310053354.db2.gz TVCLJQOKJIPLCR-JBEBIEQOSA-N 1 0 346.452 3.194 20 5 EGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(C[S@](C)=O)cc1 ZINC000449321639 310053369 /nfs/dbraw/zinc/05/33/69/310053369.db2.gz TVCLJQOKJIPLCR-SHACYNPGSA-N 1 0 346.452 3.194 20 5 EGBDRO COc1ccc(-c2ccc(C[N@H+](C)CC(C)(C)CO)o2)c([N+](=O)[O-])c1 ZINC000449413542 310059962 /nfs/dbraw/zinc/05/99/62/310059962.db2.gz HMFNUGJOULDKND-UHFFFAOYSA-N 1 0 348.399 3.314 20 5 EGBDRO NC(=O)c1csc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000449499358 310067142 /nfs/dbraw/zinc/06/71/42/310067142.db2.gz LWLSDCJCTMSBTO-ZDUSSCGKSA-N 1 0 345.424 3.135 20 5 EGBDRO CCN1C[C@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1=O ZINC000449518037 310068796 /nfs/dbraw/zinc/06/87/96/310068796.db2.gz MGICWHOEWYDJII-GFCCVEGCSA-N 1 0 345.424 3.034 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000449578291 310073446 /nfs/dbraw/zinc/07/34/46/310073446.db2.gz KAMZPBOUUHVKKZ-RUENVJTFSA-N 1 0 332.444 3.447 20 5 EGBDRO CC(C)(C)O[C@@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)[C@H]1n1cccn1 ZINC000449654933 310077800 /nfs/dbraw/zinc/07/78/00/310077800.db2.gz FYCYEOZQOZWCMM-GVDBMIGSSA-N 1 0 344.415 3.078 20 5 EGBDRO CC(C)C[NH+]1CCC(Nc2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000450246983 310110898 /nfs/dbraw/zinc/11/08/98/310110898.db2.gz WYMHEHHBGUJFKZ-UHFFFAOYSA-N 1 0 328.416 3.097 20 5 EGBDRO O=[N+]([O-])c1ccc2c(ccnc2N2CCC[C@H]([NH+]3CCCC3)C2)c1 ZINC000450258885 310111537 /nfs/dbraw/zinc/11/15/37/310111537.db2.gz CJSPGXSYCQBMSW-INIZCTEOSA-N 1 0 326.400 3.208 20 5 EGBDRO Cc1nc(Nc2cccc(CC[N@@H+](C)C3CC3)c2)ncc1[N+](=O)[O-] ZINC000450418231 310121309 /nfs/dbraw/zinc/12/13/09/310121309.db2.gz FFSNFJPZBFNZCU-UHFFFAOYSA-N 1 0 327.388 3.074 20 5 EGBDRO Cc1cc(N2C[C@H]3CC[N@@H+](C)[C@H]3C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000450774327 310142025 /nfs/dbraw/zinc/14/20/25/310142025.db2.gz CTIFREPRYXRPMY-YGRLFVJLSA-N 1 0 329.322 3.062 20 5 EGBDRO C[C@H](c1ccccc1)[C@@H](O)C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000450931665 310150465 /nfs/dbraw/zinc/15/04/65/310150465.db2.gz BBRMQHQZCSGNKM-BEFAXECRSA-N 1 0 328.412 3.234 20 5 EGBDRO Cc1ccc(CNC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000451107866 310160980 /nfs/dbraw/zinc/16/09/80/310160980.db2.gz UGGFFVDEDIHNTD-GJZGRUSLSA-N 1 0 341.411 3.259 20 5 EGBDRO CCOc1ccc(NC(=O)C[NH2+]C2(CC)CCCC2)c([N+](=O)[O-])c1 ZINC000451271916 310169105 /nfs/dbraw/zinc/16/91/05/310169105.db2.gz FRALOBVNLCCZMA-UHFFFAOYSA-N 1 0 335.404 3.244 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2noc(C[NH2+][C@H]3CCC34CCCC4)n2)c1 ZINC000451469338 310179815 /nfs/dbraw/zinc/17/98/15/310179815.db2.gz MCSKFMDRBJXWST-AWEZNQCLSA-N 1 0 328.372 3.457 20 5 EGBDRO C[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CCC[C@@H](C)C1 ZINC000452062944 310209925 /nfs/dbraw/zinc/20/99/25/310209925.db2.gz UZXGGMWPCFCTAB-UGUYLWEFSA-N 1 0 336.432 3.139 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cccnc2C)cc1[N+](=O)[O-] ZINC000453417534 310276049 /nfs/dbraw/zinc/27/60/49/310276049.db2.gz CBIONHBZQWKJEN-JSGCOSHPSA-N 1 0 342.399 3.284 20 5 EGBDRO Cc1ccc(CC[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)nc1 ZINC000453599650 310283672 /nfs/dbraw/zinc/28/36/72/310283672.db2.gz LCUKZPJEFSTGLK-UHFFFAOYSA-N 1 0 337.326 3.232 20 5 EGBDRO C[NH+](C)CC(C)(C)NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000453621068 310285170 /nfs/dbraw/zinc/28/51/70/310285170.db2.gz LVDKQFYNWUGWEK-UHFFFAOYSA-N 1 0 334.445 3.148 20 5 EGBDRO Cc1ccc(C[C@H](CO)[NH2+]Cc2ccc([N+](=O)[O-])cc2F)cc1C ZINC000453622158 310285172 /nfs/dbraw/zinc/28/51/72/310285172.db2.gz JGRSBOZYFWKGDO-MRXNPFEDSA-N 1 0 332.375 3.044 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC(C)(C)C[NH+]1CCCC1 ZINC000455144410 310347047 /nfs/dbraw/zinc/34/70/47/310347047.db2.gz QGUZTCYYVVPEOF-UHFFFAOYSA-N 1 0 334.420 3.208 20 5 EGBDRO C[C@H](C(=O)NC(C)(C)CCC[NH+](C)C)c1ccc([N+](=O)[O-])cc1F ZINC000456160267 310391182 /nfs/dbraw/zinc/39/11/82/310391182.db2.gz BLCFENZRPDPQHU-LBPRGKRZSA-N 1 0 339.411 3.074 20 5 EGBDRO C[NH+](C)CCCC(C)(C)NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000456206968 310393517 /nfs/dbraw/zinc/39/35/17/310393517.db2.gz RPSKYIDEHGBBHX-UHFFFAOYSA-N 1 0 333.388 3.191 20 5 EGBDRO CC[NH2+]Cc1cccc(NC(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)c1 ZINC000457364341 310449794 /nfs/dbraw/zinc/44/97/94/310449794.db2.gz WNNWBOZIBAYMAZ-UHFFFAOYSA-N 1 0 343.383 3.274 20 5 EGBDRO Cc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccsc2)cc1[N+](=O)[O-] ZINC000458203314 310491464 /nfs/dbraw/zinc/49/14/64/310491464.db2.gz OYIQNYNWBLVWBD-UHFFFAOYSA-N 1 0 347.440 3.169 20 5 EGBDRO C[C@@H]1CCCC[C@@]1(C)[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000459616856 310564542 /nfs/dbraw/zinc/56/45/42/310564542.db2.gz QMXWYWANZSCZST-FZKQIMNGSA-N 1 0 331.416 3.042 20 5 EGBDRO C[C@@H](CCCc1cccnc1)[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000459647326 310566044 /nfs/dbraw/zinc/56/60/44/310566044.db2.gz UDTVIZOAWUEHLW-HNNXBMFYSA-N 1 0 329.400 3.370 20 5 EGBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](CC(C)C)[NH+](C)C ZINC000462769803 310605349 /nfs/dbraw/zinc/60/53/49/310605349.db2.gz ZMDAEKCZOGHJQQ-FUHWJXTLSA-N 1 0 349.475 3.256 20 5 EGBDRO Cc1nc(N(CC[NH+](C)C)Cc2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000471751147 310745508 /nfs/dbraw/zinc/74/55/08/310745508.db2.gz QWKZDLNOBZGLPK-UHFFFAOYSA-N 1 0 332.379 3.006 20 5 EGBDRO CCCC[NH+]1CCC(Nc2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000473506073 310775796 /nfs/dbraw/zinc/77/57/96/310775796.db2.gz DZTMWPFNGVWXOQ-UHFFFAOYSA-N 1 0 328.416 3.241 20 5 EGBDRO CC(C)(C)[NH+]1CCC(Nc2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000473513281 310776027 /nfs/dbraw/zinc/77/60/27/310776027.db2.gz MBDUOYYHOXRYPL-UHFFFAOYSA-N 1 0 328.416 3.240 20 5 EGBDRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000477730889 310848662 /nfs/dbraw/zinc/84/86/62/310848662.db2.gz LOERBKPRIMPDET-APHBMKBZSA-N 1 0 334.416 3.361 20 5 EGBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000487829276 311039009 /nfs/dbraw/zinc/03/90/09/311039009.db2.gz CDEFVSVTFXAQAF-CQSZACIVSA-N 1 0 348.447 3.004 20 5 EGBDRO CC(C)[C@@H]1CN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC[N@@H+]1C ZINC000488024015 311047989 /nfs/dbraw/zinc/04/79/89/311047989.db2.gz JOHXTEKUIBNCHL-KRWDZBQOSA-N 1 0 344.415 3.022 20 5 EGBDRO C[C@@H]1CCCC[C@@H]1NC(=O)CN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000490197542 311135506 /nfs/dbraw/zinc/13/55/06/311135506.db2.gz BLVJNWLOEACINP-KDOFPFPSSA-N 1 0 345.443 3.254 20 5 EGBDRO C[NH+](C)CCc1ccccc1NC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000492010541 311208410 /nfs/dbraw/zinc/20/84/10/311208410.db2.gz PBYNPWHWAJIYIW-VAWYXSNFSA-N 1 0 339.395 3.351 20 5 EGBDRO Cc1nc([C@H]2CCCN(Cc3c(Cl)cccc3[N+](=O)[O-])C2)n[nH]1 ZINC000493360886 311365290 /nfs/dbraw/zinc/36/52/90/311365290.db2.gz KFGKQDZDZMOBQR-NSHDSACASA-N 1 0 335.795 3.054 20 5 EGBDRO CN(C(=O)c1ccc([N+](=O)[O-])s1)C(C)(C)C[NH+]1CCCCCC1 ZINC000494001170 311450999 /nfs/dbraw/zinc/45/09/99/311450999.db2.gz YJGLIQCHMJLJCP-UHFFFAOYSA-N 1 0 339.461 3.383 20 5 EGBDRO COC(=O)[C@@H]1CCCC[C@]1(C)[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000508966011 312106387 /nfs/dbraw/zinc/10/63/87/312106387.db2.gz UYUGZBUACYGZCL-LRDDRELGSA-N 1 0 342.342 3.085 20 5 EGBDRO Cc1ccc(CC[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000514909918 312252841 /nfs/dbraw/zinc/25/28/41/312252841.db2.gz GETRZORKLWKGEC-IAGOWNOFSA-N 1 0 328.416 3.416 20 5 EGBDRO Cc1ccc(CC[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000514909920 312252906 /nfs/dbraw/zinc/25/29/06/312252906.db2.gz GETRZORKLWKGEC-IRXDYDNUSA-N 1 0 328.416 3.416 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H](O)Cc1cccc(F)c1 ZINC000515599114 312290546 /nfs/dbraw/zinc/29/05/46/312290546.db2.gz HLAORYHNNXDKHD-GUYCJALGSA-N 1 0 332.375 3.297 20 5 EGBDRO Cc1ccc(CC[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000521613669 312552848 /nfs/dbraw/zinc/55/28/48/312552848.db2.gz WQSVGZAGINKOAQ-UHFFFAOYSA-N 1 0 327.384 3.064 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](c2nccn2C)C1 ZINC000535312504 314040222 /nfs/dbraw/zinc/04/02/22/314040222.db2.gz GNHRSDPLURTUDF-CQSZACIVSA-N 1 0 344.415 3.105 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+][C@H](CO)CC(F)(F)F ZINC000540150647 314366246 /nfs/dbraw/zinc/36/62/46/314366246.db2.gz JCYROUAXCZAMEE-FPMFFAJLSA-N 1 0 346.349 3.209 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+][C@@H](CO)CC(F)(F)F ZINC000540150648 314366256 /nfs/dbraw/zinc/36/62/56/314366256.db2.gz JCYROUAXCZAMEE-IACUBPJLSA-N 1 0 346.349 3.209 20 5 EGBDRO CC(=O)Nc1ccc([C@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)cc1 ZINC000541916230 314505065 /nfs/dbraw/zinc/50/50/65/314505065.db2.gz OOPDVDSTAGXDAZ-ZDUSSCGKSA-N 1 0 343.383 3.283 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](CO)c2ccc(C(F)(F)F)cc2)cc1 ZINC000541949477 314507646 /nfs/dbraw/zinc/50/76/46/314507646.db2.gz RLMWLGSEFCIVJK-OAHLLOKOSA-N 1 0 340.301 3.437 20 5 EGBDRO Cn1ccc(CC[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)n1 ZINC000546883085 314863601 /nfs/dbraw/zinc/86/36/01/314863601.db2.gz BZOLNSUFEHGSJE-UHFFFAOYSA-N 1 0 342.424 3.389 20 5 EGBDRO Cn1cc(C(C)(C)[NH2+]Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)cn1 ZINC000549547566 315096433 /nfs/dbraw/zinc/09/64/33/315096433.db2.gz FHRAKVLTLUBHBO-UHFFFAOYSA-N 1 0 342.321 3.372 20 5 EGBDRO COC(=O)[C@H](Cc1ccccc1)[C@H](C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000551720063 315165475 /nfs/dbraw/zinc/16/54/75/315165475.db2.gz ORZQKRXZBLXWTI-WMLDXEAASA-N 1 0 342.395 3.105 20 5 EGBDRO C[C@@H]1C[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C[C@@H](c2ccccc2)C1 ZINC000552923093 315237629 /nfs/dbraw/zinc/23/76/29/315237629.db2.gz HKQNOCOBMDCWTF-XIRDDKMYSA-N 1 0 328.416 3.353 20 5 EGBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000554922661 315356867 /nfs/dbraw/zinc/35/68/67/315356867.db2.gz VSAXJNMXTQXBLQ-CQSZACIVSA-N 1 0 336.436 3.454 20 5 EGBDRO CCC[C@H](C)C(=O)NCC[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000560556280 315707181 /nfs/dbraw/zinc/70/71/81/315707181.db2.gz IISLZFFGLUDVNH-AWEZNQCLSA-N 1 0 335.448 3.360 20 5 EGBDRO COc1ccc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])cc1OC ZINC000563418911 316018196 /nfs/dbraw/zinc/01/81/96/316018196.db2.gz RKOCLPWPKFFVDC-HNNXBMFYSA-N 1 0 328.368 3.389 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCOC[C@H]1CCCO1)CCCC2 ZINC000563570009 316039805 /nfs/dbraw/zinc/03/98/05/316039805.db2.gz ZQNTZGKGXLRRIF-SJLPKXTDSA-N 1 0 334.416 3.148 20 5 EGBDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000564720737 316194194 /nfs/dbraw/zinc/19/41/94/316194194.db2.gz MXIAXKBEPPGOGX-CVEARBPZSA-N 1 0 347.459 3.183 20 5 EGBDRO Cc1ccsc1CC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000564848534 316217580 /nfs/dbraw/zinc/21/75/80/316217580.db2.gz DLHAANROKWUGSL-UHFFFAOYSA-N 1 0 333.413 3.126 20 5 EGBDRO COc1cc(C[NH2+][C@@H]2CCC2(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000565502683 316332429 /nfs/dbraw/zinc/33/24/29/316332429.db2.gz HBEQZZZETJLKBN-CYBMUJFWSA-N 1 0 330.331 3.483 20 5 EGBDRO CCC(CC)[C@@H](CNc1ncnc2sc([N+](=O)[O-])cc21)[NH+](C)C ZINC000565709418 316359947 /nfs/dbraw/zinc/35/99/47/316359947.db2.gz ZTHOESQWZVMRJQ-GFCCVEGCSA-N 1 0 337.449 3.378 20 5 EGBDRO CC1([NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)CCC1 ZINC000570088087 317005620 /nfs/dbraw/zinc/00/56/20/317005620.db2.gz PJDGMYCHUKJDGL-UHFFFAOYSA-N 1 0 346.168 3.232 20 5 EGBDRO C[NH+](C)Cc1ccc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000570411692 317052078 /nfs/dbraw/zinc/05/20/78/317052078.db2.gz QDLULQFVKKUXIG-SFHVURJKSA-N 1 0 325.412 3.434 20 5 EGBDRO Cc1cccc(OCC[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000570514463 317066899 /nfs/dbraw/zinc/06/68/99/317066899.db2.gz JKWZHRQMFVHYHF-SJORKVTESA-N 1 0 344.415 3.252 20 5 EGBDRO COc1cccc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])c1OC ZINC000572497554 317348247 /nfs/dbraw/zinc/34/82/47/317348247.db2.gz VFHFYDQSUHITBU-HNNXBMFYSA-N 1 0 328.368 3.389 20 5 EGBDRO COc1ccc(C[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)c(OC)n1 ZINC000573291657 317463903 /nfs/dbraw/zinc/46/39/03/317463903.db2.gz YNGRWOWYDYPIKB-LCYFTJDESA-N 1 0 343.383 3.200 20 5 EGBDRO C[C@H]([NH2+]CCCn1c(=O)[nH]c2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000574129216 317563406 /nfs/dbraw/zinc/56/34/06/317563406.db2.gz HDXUABHFIYZGIL-ZDUSSCGKSA-N 1 0 340.383 3.391 20 5 EGBDRO CC(C)n1ccc(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000574458290 317600213 /nfs/dbraw/zinc/60/02/13/317600213.db2.gz KSZGITDQNWZXSE-KRWDZBQOSA-N 1 0 328.416 3.483 20 5 EGBDRO Cc1cc(NCc2ccc3cnn(C)c3c2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000574950378 317654389 /nfs/dbraw/zinc/65/43/89/317654389.db2.gz OYZZFTMPKZCSCB-UHFFFAOYSA-N 1 0 347.378 3.372 20 5 EGBDRO CC(C)COc1ccc(C(C)(C)[NH2+]CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000174853233 323311367 /nfs/dbraw/zinc/31/13/67/323311367.db2.gz LTJNQRHKQZPEMH-UHFFFAOYSA-N 1 0 346.431 3.351 20 5 EGBDRO Cc1nn(C)c2ncc(C[NH2+]C(C)(C)c3ccc([N+](=O)[O-])cc3)cc12 ZINC000175984891 323325205 /nfs/dbraw/zinc/32/52/05/323325205.db2.gz NXXQKTYGSJJHGG-UHFFFAOYSA-N 1 0 339.399 3.210 20 5 EGBDRO Cc1cc(C)cc(OC[C@@H](O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000180428658 323439537 /nfs/dbraw/zinc/43/95/37/323439537.db2.gz RJTQHRLXWWUSTL-YJBOKZPZSA-N 1 0 344.411 3.302 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)N(CC(C)C)C(C)C)cc1[N+](=O)[O-] ZINC000181810612 323506223 /nfs/dbraw/zinc/50/62/23/323506223.db2.gz FAEQDBIJIQSWSE-OAHLLOKOSA-N 1 0 335.448 3.447 20 5 EGBDRO CC[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1nc(C)cs1 ZINC000184369663 323655344 /nfs/dbraw/zinc/65/53/44/323655344.db2.gz CHSVMWYDRLJABT-AWEZNQCLSA-N 1 0 348.428 3.429 20 5 EGBDRO Cc1nn(C)c2ncc(C[NH2+][C@H](C)c3cccc([N+](=O)[O-])c3)cc12 ZINC000393452471 324290183 /nfs/dbraw/zinc/29/01/83/324290183.db2.gz NKGQXRKQJBUJCM-LLVKDONJSA-N 1 0 325.372 3.036 20 5 EGBDRO C[C@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)C1CCCCC1 ZINC000576853655 324694372 /nfs/dbraw/zinc/69/43/72/324694372.db2.gz JREMOJCJNQHPAT-SUMWQHHRSA-N 1 0 331.416 3.259 20 5 EGBDRO CNC(=O)c1cccc(CC[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000157831995 455237344 /nfs/dbraw/zinc/23/73/44/455237344.db2.gz DIDPJXHFGJUOOI-CQSZACIVSA-N 1 0 341.411 3.156 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@@H]1CCO[C@H](C2CC2)C1)C1CC1 ZINC000157899601 455246720 /nfs/dbraw/zinc/24/67/20/455246720.db2.gz UYGDMYREHPIRJK-AOIWGVFYSA-N 1 0 330.428 3.463 20 5 EGBDRO C[C@@H]([NH2+]Cc1cccc(C(=O)N(C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000173307310 455263046 /nfs/dbraw/zinc/26/30/46/455263046.db2.gz JADUZXQQJVXGDR-CYBMUJFWSA-N 1 0 327.384 3.147 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@@H](CO)Cc1ccccc1)C1CC1 ZINC000158263130 455285538 /nfs/dbraw/zinc/28/55/38/455285538.db2.gz FXJCBVHIMMNORG-MOPGFXCFSA-N 1 0 340.423 3.109 20 5 EGBDRO CC[NH+](CC)CCCCNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000264846254 455291534 /nfs/dbraw/zinc/29/15/34/455291534.db2.gz BFHOYAMBFULSTO-UHFFFAOYSA-N 1 0 333.388 3.193 20 5 EGBDRO C[N@@H+]1CCCC[C@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000600682362 460568110 /nfs/dbraw/zinc/56/81/10/460568110.db2.gz MMPYWOASVDKBFF-LLVKDONJSA-N 1 0 340.811 3.102 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000600722893 460580721 /nfs/dbraw/zinc/58/07/21/460580721.db2.gz RNYFTDPWZIDKFU-YWPYICTPSA-N 1 0 345.365 3.423 20 5 EGBDRO COC(=O)c1cc(-c2ccc(CC3(C[NH3+])CC3)cc2)cc([N+](=O)[O-])c1 ZINC000600787892 460604161 /nfs/dbraw/zinc/60/41/61/460604161.db2.gz HKLLQVMSVZUDHZ-UHFFFAOYSA-N 1 0 340.379 3.330 20 5 EGBDRO C[C@@H](c1ccc(-c2ccc(F)cc2[N+](=O)[O-])cc1)N1CC[NH2+]CC1 ZINC000600790368 460606166 /nfs/dbraw/zinc/60/61/66/460606166.db2.gz QHDIZMYAMSSXGP-ZDUSSCGKSA-N 1 0 329.375 3.367 20 5 EGBDRO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000017305728 453633391 /nfs/dbraw/zinc/63/33/91/453633391.db2.gz NDNIKBZSGPVDFH-CQSZACIVSA-N 1 0 337.383 3.369 20 5 EGBDRO O=C(NCc1ccccc1C[NH+]1CCCC1)c1ccc([N+](=O)[O-])s1 ZINC000024189812 453727107 /nfs/dbraw/zinc/72/71/07/453727107.db2.gz DMNLTUOJGBAMNG-UHFFFAOYSA-N 1 0 345.424 3.182 20 5 EGBDRO Cc1ccccc1C[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000026224056 453795169 /nfs/dbraw/zinc/79/51/69/453795169.db2.gz KQCZNYVGCMTSBT-UHFFFAOYSA-N 1 0 327.384 3.364 20 5 EGBDRO CC(C)[NH+](CCNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-])C(C)C ZINC000028746632 453824479 /nfs/dbraw/zinc/82/44/79/453824479.db2.gz HPWREXVRXCZFDQ-UHFFFAOYSA-N 1 0 348.447 3.018 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)[C@@H]1CCc2ccccc21 ZINC000029483568 453829349 /nfs/dbraw/zinc/82/93/49/453829349.db2.gz MTVZEGOQOKODCC-GOSISDBHSA-N 1 0 339.395 3.461 20 5 EGBDRO CCCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000066472863 453847991 /nfs/dbraw/zinc/84/79/91/453847991.db2.gz BFKZMJUQSVRDLI-HOCLYGCPSA-N 1 0 333.432 3.112 20 5 EGBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NCC[NH+](C(C)C)C(C)C)c1 ZINC000032244579 453866381 /nfs/dbraw/zinc/86/63/81/453866381.db2.gz RDUHDVDTSFBLIF-UHFFFAOYSA-N 1 0 339.461 3.165 20 5 EGBDRO Cc1ccccc1[C@H]1CCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000053279467 453869339 /nfs/dbraw/zinc/86/93/39/453869339.db2.gz QFXDEWOLQGDPQS-QGZVFWFLSA-N 1 0 339.395 3.339 20 5 EGBDRO O=C(CC1CCCC1)NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000066875998 453882524 /nfs/dbraw/zinc/88/25/24/453882524.db2.gz WFEZZOZIJFYIDY-UHFFFAOYSA-N 1 0 345.443 3.256 20 5 EGBDRO CNC(=O)c1ccc(NCC2([NH+](C)C)CCCCCC2)c([N+](=O)[O-])c1 ZINC000053551862 453887127 /nfs/dbraw/zinc/88/71/27/453887127.db2.gz PCVPCQLRXBJCNO-UHFFFAOYSA-N 1 0 348.447 3.021 20 5 EGBDRO C[C@@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000067273478 453916755 /nfs/dbraw/zinc/91/67/55/453916755.db2.gz VRCPMVIUQWEXGJ-LBPRGKRZSA-N 1 0 339.823 3.098 20 5 EGBDRO O=C(NCc1cccc([N+](=O)[O-])c1)c1cccc(C[NH+]2CCCC2)c1 ZINC000067329375 453921737 /nfs/dbraw/zinc/92/17/37/453921737.db2.gz KKKOZRLWQIOCEW-UHFFFAOYSA-N 1 0 339.395 3.121 20 5 EGBDRO Cc1ccc(NC(=O)NCC[N@@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000054348997 453924486 /nfs/dbraw/zinc/92/44/86/453924486.db2.gz USEMANZLDCISQO-UHFFFAOYSA-N 1 0 342.399 3.157 20 5 EGBDRO COc1cc(C[NH+]2C[C@H](C)[C@@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000076110843 453965197 /nfs/dbraw/zinc/96/51/97/453965197.db2.gz LWGXWAOSEKWVTG-UWVGGRQHSA-N 1 0 330.331 3.293 20 5 EGBDRO Cc1cc(NC2CC[NH+](Cc3ccccn3)CC2)ccc1[N+](=O)[O-] ZINC000076836246 454041775 /nfs/dbraw/zinc/04/17/75/454041775.db2.gz ZSIQCDVAOQPCFR-UHFFFAOYSA-N 1 0 326.400 3.375 20 5 EGBDRO Cc1ccc(NC(=O)NCCC[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000043148236 454045214 /nfs/dbraw/zinc/04/52/14/454045214.db2.gz RSBOJJZZVPJGDS-UHFFFAOYSA-N 1 0 334.420 3.147 20 5 EGBDRO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](C)CC2)c([N+](=O)[O-])c1 ZINC000068830407 454058143 /nfs/dbraw/zinc/05/81/43/454058143.db2.gz VPOOKWLBELCGFL-STQMWFEESA-N 1 0 335.404 3.052 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H](C)CC1 ZINC000068838174 454059013 /nfs/dbraw/zinc/05/90/13/454059013.db2.gz JYVOQOQCUNBKNG-CYBMUJFWSA-N 1 0 335.404 3.054 20 5 EGBDRO C[NH+](C)[C@@H](CNC(=O)CCc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000087104930 454063172 /nfs/dbraw/zinc/06/31/72/454063172.db2.gz KFSFZEDXXUAFCA-SFHVURJKSA-N 1 0 347.459 3.154 20 5 EGBDRO Cc1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccco2)cc1[N+](=O)[O-] ZINC000088330181 454099106 /nfs/dbraw/zinc/09/91/06/454099106.db2.gz YGIISNFQQOKKHX-UHFFFAOYSA-N 1 0 346.387 3.092 20 5 EGBDRO CC[C@H](C)C[N@H+](CC)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000245920583 455399857 /nfs/dbraw/zinc/39/98/57/455399857.db2.gz WUOMNRSWSQNGPP-QWHCGFSZSA-N 1 0 337.420 3.298 20 5 EGBDRO C[C@@H](O)C[C@@H](C)C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000077428745 454105834 /nfs/dbraw/zinc/10/58/34/454105834.db2.gz WIWOHAHQUHFSEU-VXGBXAGGSA-N 1 0 335.429 3.215 20 5 EGBDRO CC(C)([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000057846669 454151870 /nfs/dbraw/zinc/15/18/70/454151870.db2.gz XCYSVEJUDPTGKG-UHFFFAOYSA-N 1 0 347.802 3.372 20 5 EGBDRO C[NH+](C)CCn1cc(Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cn1 ZINC000057854507 454152079 /nfs/dbraw/zinc/15/20/79/454152079.db2.gz JRPYRJZWCGQAIJ-UHFFFAOYSA-N 1 0 343.309 3.115 20 5 EGBDRO CC(=O)NCCc1ccc([C@@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])cc1 ZINC000089511955 454157624 /nfs/dbraw/zinc/15/76/24/454157624.db2.gz COBHSJYKQKUHPF-CQSZACIVSA-N 1 0 341.411 3.124 20 5 EGBDRO CC[NH+](CC)C[C@H]1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000119251729 454181428 /nfs/dbraw/zinc/18/14/28/454181428.db2.gz LKZFFPRYEWARBR-CYBMUJFWSA-N 1 0 325.840 3.412 20 5 EGBDRO CC[N@@H+]1CCCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1 ZINC000090092127 454278084 /nfs/dbraw/zinc/27/80/84/454278084.db2.gz BVMALWGQIKSHFS-UHFFFAOYSA-N 1 0 326.400 3.189 20 5 EGBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000046761729 454282594 /nfs/dbraw/zinc/28/25/94/454282594.db2.gz GAIZPAQEGNKMKD-HUUCEWRRSA-N 1 0 348.447 3.474 20 5 EGBDRO COc1ccccc1[C@H](CNc1ncc(C)cc1[N+](=O)[O-])[NH+](C)C ZINC000078625583 454287719 /nfs/dbraw/zinc/28/77/19/454287719.db2.gz OISLAMQXEZGRGT-HNNXBMFYSA-N 1 0 330.388 3.022 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000182100438 455436093 /nfs/dbraw/zinc/43/60/93/455436093.db2.gz JBZKWPUHGNFTOJ-HNNXBMFYSA-N 1 0 341.411 3.154 20 5 EGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCCN(c2nccs2)CC1 ZINC000072582002 454313826 /nfs/dbraw/zinc/31/38/26/454313826.db2.gz DFVLOYIFNIZHPB-CYBMUJFWSA-N 1 0 332.429 3.325 20 5 EGBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1cccc(OC(F)(F)F)c1 ZINC000090539214 454318826 /nfs/dbraw/zinc/31/88/26/454318826.db2.gz YOAQMORMOVOZBV-SNVBAGLBSA-N 1 0 344.293 3.041 20 5 EGBDRO CC[C@H](Cc1ccc(C)cc1)[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090550882 454319533 /nfs/dbraw/zinc/31/95/33/454319533.db2.gz TZLFTYPLJIFESE-QGZVFWFLSA-N 1 0 343.427 3.018 20 5 EGBDRO Cc1c(C(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000047038657 454323727 /nfs/dbraw/zinc/32/37/27/454323727.db2.gz XZJPFIKVIQHFJZ-GASCZTMLSA-N 1 0 347.459 3.391 20 5 EGBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)CCC(=O)N2 ZINC000061110526 454327843 /nfs/dbraw/zinc/32/78/43/454327843.db2.gz QLRNVOVHZSROJW-GFCCVEGCSA-N 1 0 325.368 3.330 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000072770142 454337822 /nfs/dbraw/zinc/33/78/22/454337822.db2.gz SOOHSCXSNNAGRM-BETUJISGSA-N 1 0 337.445 3.058 20 5 EGBDRO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000091081905 454379778 /nfs/dbraw/zinc/37/97/78/454379778.db2.gz BLHKDWSAIBGPLG-MRXNPFEDSA-N 1 0 330.388 3.151 20 5 EGBDRO Cc1cccc(OCC[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000047745434 454405352 /nfs/dbraw/zinc/40/53/52/454405352.db2.gz YXTIMQJJBVRXHM-UHFFFAOYSA-N 1 0 341.411 3.104 20 5 EGBDRO O=[N+]([O-])c1ccc(Sc2nnc([C@@H]3CCC[NH2+]C3)n2C2CC2)cc1 ZINC000091484004 454441234 /nfs/dbraw/zinc/44/12/34/454441234.db2.gz WGESDUVWXHKZEG-LLVKDONJSA-N 1 0 345.428 3.139 20 5 EGBDRO Cn1cc(C[NH2+]C[C@@]2(C)CCCS2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000133628427 454447466 /nfs/dbraw/zinc/44/74/66/454447466.db2.gz QBOCWARSXKSUNO-QGZVFWFLSA-N 1 0 346.456 3.371 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@H]1CCC[C@H](C)C1 ZINC000073618476 454458498 /nfs/dbraw/zinc/45/84/98/454458498.db2.gz VEFKNUPPZXBDNP-STQMWFEESA-N 1 0 335.404 3.052 20 5 EGBDRO O=C(NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1)c1cccs1 ZINC000064801805 454507047 /nfs/dbraw/zinc/50/70/47/454507047.db2.gz XQHRRDCJSHQGDQ-UHFFFAOYSA-N 1 0 345.424 3.051 20 5 EGBDRO Cc1c(NC(=O)CC[N@@H+]2CCC[C@H]2C2CCC2)cccc1[N+](=O)[O-] ZINC000102926952 454526722 /nfs/dbraw/zinc/52/67/22/454526722.db2.gz DKRAARPUSDSMTF-KRWDZBQOSA-N 1 0 331.416 3.496 20 5 EGBDRO CC[C@H](c1ccncc1)[N@H+](C)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000092224821 454538649 /nfs/dbraw/zinc/53/86/49/454538649.db2.gz WTKAQJXYXYLNRM-MRXNPFEDSA-N 1 0 345.399 3.460 20 5 EGBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000080137491 454538687 /nfs/dbraw/zinc/53/86/87/454538687.db2.gz KICTWIYQNCLZKU-INIZCTEOSA-N 1 0 348.447 3.004 20 5 EGBDRO C[NH+](C)Cc1cccc(CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)c1 ZINC000134554825 454559370 /nfs/dbraw/zinc/55/93/70/454559370.db2.gz AYRADYHBLPUKOK-UHFFFAOYSA-N 1 0 347.802 3.240 20 5 EGBDRO CS[C@H]1CCCC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000134603734 454566938 /nfs/dbraw/zinc/56/69/38/454566938.db2.gz UYPATWQJGUQXIT-HNNXBMFYSA-N 1 0 338.429 3.179 20 5 EGBDRO C[N@H+](CCCOc1ccccc1)CCOc1ccc([N+](=O)[O-])cc1 ZINC000065534045 454586134 /nfs/dbraw/zinc/58/61/34/454586134.db2.gz DITHSSJIUZOBOL-UHFFFAOYSA-N 1 0 330.384 3.375 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc1OC(F)F ZINC000092609675 454594937 /nfs/dbraw/zinc/59/49/37/454594937.db2.gz CPIQGPPOSJQOTP-NWDGAFQWSA-N 1 0 327.331 3.235 20 5 EGBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000092629357 454597326 /nfs/dbraw/zinc/59/73/26/454597326.db2.gz FRBINZOSIHWJRU-MRXNPFEDSA-N 1 0 332.448 3.247 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)C(C1CC1)C1CC1 ZINC000050989617 454604043 /nfs/dbraw/zinc/60/40/43/454604043.db2.gz IREVVQQBASMTME-UHFFFAOYSA-N 1 0 347.415 3.052 20 5 EGBDRO Cc1cc(N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)ncc1[N+](=O)[O-] ZINC000074751678 454629225 /nfs/dbraw/zinc/62/92/25/454629225.db2.gz UMLVWXNKUJXIFI-HOTGVXAUSA-N 1 0 332.448 3.389 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCn2cccc2[C@H]1C ZINC000105593610 454645202 /nfs/dbraw/zinc/64/52/02/454645202.db2.gz IUHHAOKSDCHTBZ-CQSZACIVSA-N 1 0 342.399 3.110 20 5 EGBDRO CC1CCN(C(=O)C2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000052157825 454656754 /nfs/dbraw/zinc/65/67/54/454656754.db2.gz UULZNGIHDASFAI-UHFFFAOYSA-N 1 0 345.443 3.065 20 5 EGBDRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)C2CCCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000123741887 454670704 /nfs/dbraw/zinc/67/07/04/454670704.db2.gz PUABWFAUTZVNDQ-RHSMWYFYSA-N 1 0 345.443 3.427 20 5 EGBDRO CC1CC[NH+](C2CCC(NC(=O)c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000161611639 454707833 /nfs/dbraw/zinc/70/78/33/454707833.db2.gz JTVWESWANLSSJL-UHFFFAOYSA-N 1 0 345.443 3.368 20 5 EGBDRO C[C@H]1C[C@@H]1c1ccc(C[N@H+](CCn2ccc([N+](=O)[O-])n2)C2CC2)o1 ZINC000176208108 454712581 /nfs/dbraw/zinc/71/25/81/454712581.db2.gz HJRWFCRICXYDQA-WFASDCNBSA-N 1 0 330.388 3.172 20 5 EGBDRO Cc1c(CC(=O)NCCCC[N@H+]2CCCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000161748060 454719672 /nfs/dbraw/zinc/71/96/72/454719672.db2.gz UQWMZKOXVQPDNW-OAHLLOKOSA-N 1 0 347.459 3.217 20 5 EGBDRO CC[NH+](CC)[C@@H](CNC(=O)c1cc(C)cc([N+](=O)[O-])c1)c1ccco1 ZINC000124401509 454729071 /nfs/dbraw/zinc/72/90/71/454729071.db2.gz QUELKSOWLRYXKG-INIZCTEOSA-N 1 0 345.399 3.309 20 5 EGBDRO COc1ccc(-c2ccc(C[N@H+](C)C[C@H]3CCOC3)o2)c([N+](=O)[O-])c1 ZINC000093840026 454739634 /nfs/dbraw/zinc/73/96/34/454739634.db2.gz KYKMKADJNGSKAQ-CYBMUJFWSA-N 1 0 346.383 3.332 20 5 EGBDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000162883511 454806805 /nfs/dbraw/zinc/80/68/05/454806805.db2.gz HNFWIUFNYNRSGI-AWEZNQCLSA-N 1 0 334.420 3.084 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N(CC[NH+](C)C)CC(C)C ZINC000191391711 455482867 /nfs/dbraw/zinc/48/28/67/455482867.db2.gz SXKZNKAMAPPKLI-UHFFFAOYSA-N 1 0 336.436 3.263 20 5 EGBDRO COc1ccc(C[N@H+](C)CCOCc2ccccc2)cc1[N+](=O)[O-] ZINC000154630701 454914226 /nfs/dbraw/zinc/91/42/26/454914226.db2.gz GAKBHMQJMIAJRP-UHFFFAOYSA-N 1 0 330.384 3.252 20 5 EGBDRO CC[C@H](C)[C@@H](O)C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000113342529 454924306 /nfs/dbraw/zinc/92/43/06/454924306.db2.gz MVAUNEMBTAEULC-NHYWBVRUSA-N 1 0 335.429 3.215 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(C(=O)C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000126887786 454924814 /nfs/dbraw/zinc/92/48/14/454924814.db2.gz XSFIARNNLPDCST-WMLDXEAASA-N 1 0 345.443 3.345 20 5 EGBDRO Cc1ccc([C@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2)[NH+](C)C)cc1 ZINC000127139257 454940600 /nfs/dbraw/zinc/94/06/00/454940600.db2.gz BHFGVSWOBVEAJI-KRWDZBQOSA-N 1 0 342.399 3.328 20 5 EGBDRO C[C@H]([NH2+]CC1(N2CCOCC2)CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000154961597 454947481 /nfs/dbraw/zinc/94/74/81/454947481.db2.gz DKVCLMQGVCWLEI-INIZCTEOSA-N 1 0 347.459 3.281 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]Cc1ccccc1CO)C1CC1 ZINC000151776482 455029306 /nfs/dbraw/zinc/02/93/06/455029306.db2.gz XPPURUZGZCGSCY-GOSISDBHSA-N 1 0 326.396 3.198 20 5 EGBDRO CCN(CC)C(=O)C1([NH2+]CCc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000118847215 455115267 /nfs/dbraw/zinc/11/52/67/455115267.db2.gz NSLMOACSFHJYPY-UHFFFAOYSA-N 1 0 347.459 3.298 20 5 EGBDRO Cc1noc([C@@H]2CCCN(Cc3cc([N+](=O)[O-])ccc3Cl)C2)n1 ZINC000172176379 455131632 /nfs/dbraw/zinc/13/16/32/455131632.db2.gz SZMWVCBWWBVVLL-LLVKDONJSA-N 1 0 336.779 3.319 20 5 EGBDRO Cc1c([C@@H](C)[NH2+]C[C@@H](O)COc2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000152560276 455136119 /nfs/dbraw/zinc/13/61/19/455136119.db2.gz DRIPDCARUFUHFY-UKRRQHHQSA-N 1 0 348.374 3.133 20 5 EGBDRO CC[C@@H]([NH2+]C[C@H](O)COc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000152573198 455137357 /nfs/dbraw/zinc/13/73/57/455137357.db2.gz FVPRYZCYEVIOHU-FUHWJXTLSA-N 1 0 348.374 3.215 20 5 EGBDRO C[NH+](C)Cc1ccccc1CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000172505298 455158624 /nfs/dbraw/zinc/15/86/24/455158624.db2.gz VZGUOFUXOSQNHM-UHFFFAOYSA-N 1 0 347.802 3.240 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[NH+](CCOC(C)C)CC1 ZINC000182819615 455171335 /nfs/dbraw/zinc/17/13/35/455171335.db2.gz JOQORFJAPRSEJN-MRXNPFEDSA-N 1 0 335.448 3.007 20 5 EGBDRO Cc1ccc([C@H](C)NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000237588239 455196603 /nfs/dbraw/zinc/19/66/03/455196603.db2.gz YUFOTOKVXXPIGZ-WYQXTGKHSA-N 1 0 331.416 3.001 20 5 EGBDRO C[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000173411122 455279594 /nfs/dbraw/zinc/27/95/94/455279594.db2.gz HWKAPNHOSRGQPF-GXTWGEPZSA-N 1 0 335.404 3.255 20 5 EGBDRO COC1(C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCC1 ZINC000181079439 455284546 /nfs/dbraw/zinc/28/45/46/455284546.db2.gz LXHZEIPWQVOXAN-UHFFFAOYSA-N 1 0 333.413 3.377 20 5 EGBDRO CC[NH+](CC)CCCCNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000265586075 455346183 /nfs/dbraw/zinc/34/61/83/455346183.db2.gz QOBSRHGNDKBTKM-UHFFFAOYSA-N 1 0 341.839 3.029 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000245901551 455394994 /nfs/dbraw/zinc/39/49/94/455394994.db2.gz SHDWHNWBYFKQJX-DARAHFNDSA-N 1 0 347.459 3.447 20 5 EGBDRO C[C@H]([NH2+]CC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000246101049 455426650 /nfs/dbraw/zinc/42/66/50/455426650.db2.gz YDKXTEVVEKPUPH-AYMQEEERSA-N 1 0 333.432 3.186 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](CC(N)=O)C1CCCCC1 ZINC000182068288 455428874 /nfs/dbraw/zinc/42/88/74/455428874.db2.gz VDHXXIVLWTVFFK-SUMWQHHRSA-N 1 0 333.432 3.378 20 5 EGBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000184693886 455429530 /nfs/dbraw/zinc/42/95/30/455429530.db2.gz HIAKBUWFJMTJSF-DOTOQJQBSA-N 1 0 347.459 3.012 20 5 EGBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000184824922 455454618 /nfs/dbraw/zinc/45/46/18/455454618.db2.gz OTWXXPCMMRHJSZ-ZBFHGGJFSA-N 1 0 349.475 3.256 20 5 EGBDRO C[C@@H]([NH2+]C[C@@H](CO)Cc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000266852836 455463148 /nfs/dbraw/zinc/46/31/48/455463148.db2.gz JHEHYCBYCWFZGQ-HIFRSBDPSA-N 1 0 332.375 3.236 20 5 EGBDRO CC1(C)C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CCO1 ZINC000160575100 455475449 /nfs/dbraw/zinc/47/54/49/455475449.db2.gz DZFUTYHNJYJYEJ-LLVKDONJSA-N 1 0 330.331 3.243 20 5 EGBDRO CCC[NH+]1CCC(N(C)C(=O)c2ccc(CC)c([N+](=O)[O-])c2)CC1 ZINC000266925001 455476968 /nfs/dbraw/zinc/47/69/68/455476968.db2.gz LPHRDDUWYMLWHO-UHFFFAOYSA-N 1 0 333.432 3.104 20 5 EGBDRO Cc1ccccc1C[C@@H](CO)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000191562380 455496751 /nfs/dbraw/zinc/49/67/51/455496751.db2.gz KWEGYZOBMNMVRG-LPHOPBHVSA-N 1 0 342.439 3.418 20 5 EGBDRO Cc1ccc(C[C@H](CO)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000191582132 455499674 /nfs/dbraw/zinc/49/96/74/455499674.db2.gz ZPKBXSBATZCMPT-MAUKXSAKSA-N 1 0 328.412 3.466 20 5 EGBDRO CNC(=O)c1ccc(C[N@H+](C)[C@@H](C)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000182620663 455554931 /nfs/dbraw/zinc/55/49/31/455554931.db2.gz LLNXPQYZIDIHEM-AWEZNQCLSA-N 1 0 341.411 3.456 20 5 EGBDRO CC[NH+](CC)[C@H](CNC(=O)c1c(F)cccc1[N+](=O)[O-])c1ccco1 ZINC000601019506 460678343 /nfs/dbraw/zinc/67/83/43/460678343.db2.gz CQJBVJYGWYCYRB-CQSZACIVSA-N 1 0 349.362 3.140 20 5 EGBDRO Cc1c(NC(=O)CC[N@@H+]2CCS[C@@H](C)CC2)cccc1[N+](=O)[O-] ZINC000192186414 455570165 /nfs/dbraw/zinc/57/01/65/455570165.db2.gz TULUBYOCPZTOAB-LBPRGKRZSA-N 1 0 337.445 3.059 20 5 EGBDRO CC(=O)c1ccc(NCCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000267973797 455572851 /nfs/dbraw/zinc/57/28/51/455572851.db2.gz WHKQDTFGQNNQTB-OKILXGFUSA-N 1 0 349.431 3.099 20 5 EGBDRO C[C@H]([NH2+][C@@H](CCCO)c1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283842877 455603075 /nfs/dbraw/zinc/60/30/75/455603075.db2.gz AYJTTXOTYQUQLD-GUYCJALGSA-N 1 0 329.400 3.341 20 5 EGBDRO COc1ccc([C@H](C[NH+](C)C)NCc2csc([N+](=O)[O-])c2)cc1 ZINC000283907475 455609949 /nfs/dbraw/zinc/60/99/49/455609949.db2.gz IDKTWJWTRNMINM-HNNXBMFYSA-N 1 0 335.429 3.057 20 5 EGBDRO C[N@@H+]1CC[C@]2(CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2)C1 ZINC000292254777 455610082 /nfs/dbraw/zinc/61/00/82/455610082.db2.gz KILMWBNUHGNXBS-AWEZNQCLSA-N 1 0 329.322 3.146 20 5 EGBDRO C[C@@H]([NH2+]CCCn1cnc2ccccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284069553 455631640 /nfs/dbraw/zinc/63/16/40/455631640.db2.gz LGRHIQFUOWNZCQ-CYBMUJFWSA-N 1 0 339.399 3.268 20 5 EGBDRO CCOc1cccc([C@@H](C)[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000271614956 455700958 /nfs/dbraw/zinc/70/09/58/455700958.db2.gz AKCKLPXAICLTSE-FZKQIMNGSA-N 1 0 330.384 3.378 20 5 EGBDRO CCOc1cccc([C@H](C)[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000271614958 455701266 /nfs/dbraw/zinc/70/12/66/455701266.db2.gz AKCKLPXAICLTSE-UGSOOPFHSA-N 1 0 330.384 3.378 20 5 EGBDRO Cc1nc(N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)ccc1[N+](=O)[O-] ZINC000268535319 455709326 /nfs/dbraw/zinc/70/93/26/455709326.db2.gz YDYQFLBMUITSES-GOEBONIOSA-N 1 0 332.448 3.389 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@H]1COC2(CCCC2)O1)C1CC1 ZINC000271726479 455736085 /nfs/dbraw/zinc/73/60/85/455736085.db2.gz OLKXLBBYSMJQQU-IRXDYDNUSA-N 1 0 346.427 3.191 20 5 EGBDRO CN(C)c1ccc(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)cn1 ZINC000278204542 455785575 /nfs/dbraw/zinc/78/55/75/455785575.db2.gz HBKMVJVULQXSOG-KRWDZBQOSA-N 1 0 326.400 3.223 20 5 EGBDRO Cc1c(C[NH2+][C@@H](C)c2ccc3c(c2)CC(=O)N3C)cccc1[N+](=O)[O-] ZINC000271871749 455794257 /nfs/dbraw/zinc/79/42/57/455794257.db2.gz WJUUQDKVSDTFAE-ZDUSSCGKSA-N 1 0 339.395 3.273 20 5 EGBDRO COC(=O)c1ccc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])cc1F ZINC000285171328 455799908 /nfs/dbraw/zinc/79/99/08/455799908.db2.gz BDUVUQROCBEPPG-UHFFFAOYSA-N 1 0 346.358 3.195 20 5 EGBDRO CC[C@H]([NH2+][C@H]1CCCN(c2ccnn2C)C1)c1cccc([N+](=O)[O-])c1 ZINC000278374245 455832729 /nfs/dbraw/zinc/83/27/29/455832729.db2.gz DRKMAZMFHCYMTB-RDJZCZTQSA-N 1 0 343.431 3.038 20 5 EGBDRO CC(C)[C@@H](O)C1(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000272106016 455848485 /nfs/dbraw/zinc/84/84/85/455848485.db2.gz WRPRSUPALRBKRN-CQSZACIVSA-N 1 0 344.358 3.083 20 5 EGBDRO Cn1ncc2c1CCC[C@H]2[N@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255868228 455874372 /nfs/dbraw/zinc/87/43/72/455874372.db2.gz FFEGKISHWJLMEU-BQLWYNFJSA-N 1 0 326.400 3.351 20 5 EGBDRO CCC[C@]1([NH2+]Cc2ccc(Br)c([N+](=O)[O-])c2)CCOC1 ZINC000285585071 455876233 /nfs/dbraw/zinc/87/62/33/455876233.db2.gz OPMTYGXVJXGHQK-AWEZNQCLSA-N 1 0 343.221 3.406 20 5 EGBDRO COc1ccccc1[C@@H](CNc1ncc([N+](=O)[O-])s1)[NH+]1CCCC1 ZINC000195505955 455971913 /nfs/dbraw/zinc/97/19/13/455971913.db2.gz BIHLFNPBPFNHLV-CYBMUJFWSA-N 1 0 348.428 3.309 20 5 EGBDRO O=[N+]([O-])c1cnc(NC[C@H]2CCC[N@H+](Cc3cccs3)C2)s1 ZINC000195511857 455973907 /nfs/dbraw/zinc/97/39/07/455973907.db2.gz YYKVCTLJQFCITH-LLVKDONJSA-N 1 0 338.458 3.437 20 5 EGBDRO Cc1cc(NC(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000296605139 455986814 /nfs/dbraw/zinc/98/68/14/455986814.db2.gz DUVNUYVXUFKBFU-ZDUSSCGKSA-N 1 0 346.431 3.241 20 5 EGBDRO CC[NH+](CC)Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2N)cc1 ZINC000188346323 456048624 /nfs/dbraw/zinc/04/86/24/456048624.db2.gz MQXUHGOCTFIIGD-UHFFFAOYSA-N 1 0 342.399 3.271 20 5 EGBDRO C[C@H]([NH2+]C1CC1)C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000296951263 456073088 /nfs/dbraw/zinc/07/30/88/456073088.db2.gz UAMLTRJQOCZDJH-LBPRGKRZSA-N 1 0 341.367 3.466 20 5 EGBDRO COc1cc(N2CCC[C@@H]([NH+]3CCCC3)CC2)c(F)cc1[N+](=O)[O-] ZINC000271055582 456113806 /nfs/dbraw/zinc/11/38/06/456113806.db2.gz AHLLDZYGYIIDBT-CYBMUJFWSA-N 1 0 337.395 3.197 20 5 EGBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)c1ccc([N+](=O)[O-])c2cnccc21 ZINC000301460976 456122314 /nfs/dbraw/zinc/12/23/14/456122314.db2.gz OCORDOUHFGDWLN-AWEZNQCLSA-N 1 0 328.416 3.454 20 5 EGBDRO Cc1nn(C)c(NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000301488064 456128127 /nfs/dbraw/zinc/12/81/27/456128127.db2.gz ZGMFFUDDHPXDRS-ZDUSSCGKSA-N 1 0 337.811 3.005 20 5 EGBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000272986128 456135845 /nfs/dbraw/zinc/13/58/45/456135845.db2.gz ZTQZBLOVIHAGNH-HUUCEWRRSA-N 1 0 348.424 3.233 20 5 EGBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2c3ccccc3C[C@H]2O)cc1[N+](=O)[O-] ZINC000271144796 456140549 /nfs/dbraw/zinc/14/05/49/456140549.db2.gz OZPLEHIPRNLQJT-WILYLXEWSA-N 1 0 342.395 3.302 20 5 EGBDRO CCC[C@H]([NH2+]C[C@H]1CCCN(C(C)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000281192677 456159232 /nfs/dbraw/zinc/15/92/32/456159232.db2.gz RJFQTYQMEGEWGW-QAPCUYQASA-N 1 0 333.432 3.284 20 5 EGBDRO COc1ccc(C[NH2+]C[C@@]2(C)OCCc3sccc32)cc1[N+](=O)[O-] ZINC000289880424 456166857 /nfs/dbraw/zinc/16/68/57/456166857.db2.gz RUHCSRZJHWDWEU-QGZVFWFLSA-N 1 0 348.424 3.243 20 5 EGBDRO Cc1c(C(=O)NC[C@H]([NH3+])c2ccc(C(C)C)cc2)cccc1[N+](=O)[O-] ZINC000236735443 456176650 /nfs/dbraw/zinc/17/66/50/456176650.db2.gz FMPXWPDJJZLSFO-KRWDZBQOSA-N 1 0 341.411 3.456 20 5 EGBDRO CC[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000273147486 456192895 /nfs/dbraw/zinc/19/28/95/456192895.db2.gz LFOXLOXDMNVHFY-HOTGVXAUSA-N 1 0 330.384 3.075 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCC[C@@H]2C[NH+]2CCCC2)cc1OC(F)F ZINC000189079996 456220521 /nfs/dbraw/zinc/22/05/21/456220521.db2.gz PRTSYESZEWBOBK-CYBMUJFWSA-N 1 0 341.358 3.261 20 5 EGBDRO COc1cc(NCC[N@@H+]2CCc3ccccc3C2)c(F)cc1[N+](=O)[O-] ZINC000301846040 456231068 /nfs/dbraw/zinc/23/10/68/456231068.db2.gz AMNIZAHEKUYBAL-UHFFFAOYSA-N 1 0 345.374 3.213 20 5 EGBDRO C[NH+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C1 ZINC000301849812 456233025 /nfs/dbraw/zinc/23/30/25/456233025.db2.gz DQEJSECHSZTNDV-AWEZNQCLSA-N 1 0 326.400 3.045 20 5 EGBDRO C[C@@H](Nc1nc2sccn2c1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000302050093 456275328 /nfs/dbraw/zinc/27/53/28/456275328.db2.gz NKLYDPGWXQTNEQ-NEPJUHHUSA-N 1 0 349.460 3.369 20 5 EGBDRO C[C@H](Nc1nc2sccn2c1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000302050095 456275519 /nfs/dbraw/zinc/27/55/19/456275519.db2.gz NKLYDPGWXQTNEQ-RYUDHWBXSA-N 1 0 349.460 3.369 20 5 EGBDRO Cc1cc([N+](=O)[O-])cnc1N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000302152973 456301009 /nfs/dbraw/zinc/30/10/09/456301009.db2.gz CLHAYQRECCZDNB-PBHICJAKSA-N 1 0 326.400 3.231 20 5 EGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000352822947 456337610 /nfs/dbraw/zinc/33/76/10/456337610.db2.gz IWOJGILCOVZBSG-RISCZKNCSA-N 1 0 332.322 3.435 20 5 EGBDRO C[C@H]([NH2+]CCC(=O)N(C)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000298405071 456446554 /nfs/dbraw/zinc/44/65/54/456446554.db2.gz OVTUOYLLTDJMCX-AWEZNQCLSA-N 1 0 327.384 3.299 20 5 EGBDRO C[NH+](C)CC1(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCC1 ZINC000282232344 456450640 /nfs/dbraw/zinc/45/06/40/456450640.db2.gz NLEKNTKSWZFMBT-UHFFFAOYSA-N 1 0 346.456 3.292 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000276407346 456471761 /nfs/dbraw/zinc/47/17/61/456471761.db2.gz LQXIIMGLMXVPCX-HOCLYGCPSA-N 1 0 346.431 3.160 20 5 EGBDRO C[C@H](CC[S@@](C)=O)[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290935644 456471999 /nfs/dbraw/zinc/47/19/99/456471999.db2.gz SNPZOCAIXNNDJG-ZPWHCFADSA-N 1 0 339.244 3.148 20 5 EGBDRO CN(C[C@H]1CCC[N@H+](C)C1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000303736300 456482540 /nfs/dbraw/zinc/48/25/40/456482540.db2.gz WRYBCKAIBMHAHZ-NSHDSACASA-N 1 0 331.338 3.392 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCCC[C@@H]2[C@H]2CCCC[C@@H]2O)c1 ZINC000291171056 456552376 /nfs/dbraw/zinc/55/23/76/456552376.db2.gz NGLCZPXNFSMDBT-AKHDSKFASA-N 1 0 348.443 3.034 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@@H](n4cccn4)C3)o2)cc1 ZINC000291189737 456558250 /nfs/dbraw/zinc/55/82/50/456558250.db2.gz GLDYRLXAWKLBEG-MRXNPFEDSA-N 1 0 338.367 3.498 20 5 EGBDRO CC[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C1CCOCC1 ZINC000343383172 456576318 /nfs/dbraw/zinc/57/63/18/456576318.db2.gz SUHAPHJCYZTGCE-INIZCTEOSA-N 1 0 349.431 3.027 20 5 EGBDRO COc1cccc(N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000310346489 456581121 /nfs/dbraw/zinc/58/11/21/456581121.db2.gz FLTOQBVRFZXVDP-OAHLLOKOSA-N 1 0 327.384 3.290 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000291358490 456618149 /nfs/dbraw/zinc/61/81/49/456618149.db2.gz YCGJODHACVARBX-HXUWFJFHSA-N 1 0 340.423 3.412 20 5 EGBDRO CC[N@H+](C)Cc1cccc(CNC(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000299330956 456658324 /nfs/dbraw/zinc/65/83/24/456658324.db2.gz REYQJBUZHDMWSW-UHFFFAOYSA-N 1 0 333.413 3.038 20 5 EGBDRO C[C@H]1[C@@H](NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CCC[N@@H+]1C ZINC000343511857 456672523 /nfs/dbraw/zinc/67/25/23/456672523.db2.gz JDOHZWFPHDBAJV-WFASDCNBSA-N 1 0 333.432 3.105 20 5 EGBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000324989561 456677191 /nfs/dbraw/zinc/67/71/91/456677191.db2.gz VWVFNDWLZXWDOA-MRXNPFEDSA-N 1 0 327.384 3.033 20 5 EGBDRO CCOCCC1(CNc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000340837625 456709949 /nfs/dbraw/zinc/70/99/49/456709949.db2.gz LDWAUGXTUUJBEW-UHFFFAOYSA-N 1 0 329.400 3.492 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H]([NH+](C)C)CC1 ZINC000277201703 456722306 /nfs/dbraw/zinc/72/23/06/456722306.db2.gz MQJBLJKJJKFGIQ-MRXNPFEDSA-N 1 0 335.448 3.298 20 5 EGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@](CO)(c2ccccc2)C1 ZINC000291708371 456728151 /nfs/dbraw/zinc/72/81/51/456728151.db2.gz IJKDTRMRNNIWDR-DNVCBOLYSA-N 1 0 326.396 3.292 20 5 EGBDRO C[NH+](C)[C@@H]1CCCN(c2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000277226490 456732514 /nfs/dbraw/zinc/73/25/14/456732514.db2.gz SINCYMXJRGZEPS-GFCCVEGCSA-N 1 0 342.237 3.278 20 5 EGBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 ZINC000277253112 456744870 /nfs/dbraw/zinc/74/48/70/456744870.db2.gz KOHLMVVUHONVNY-OAHLLOKOSA-N 1 0 347.459 3.449 20 5 EGBDRO C[C@@H](NCc1ccc([N+](=O)[O-])c(F)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000283278372 456749943 /nfs/dbraw/zinc/74/99/43/456749943.db2.gz WZQAONPYUPQOFK-HIFRSBDPSA-N 1 0 335.423 3.477 20 5 EGBDRO CC1(C)CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1cccnc1 ZINC000291834395 456772645 /nfs/dbraw/zinc/77/26/45/456772645.db2.gz DHXSEXQSKLRZNL-IAGOWNOFSA-N 1 0 327.384 3.106 20 5 EGBDRO O=[N+]([O-])c1ccccc1Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000301097650 456794718 /nfs/dbraw/zinc/79/47/18/456794718.db2.gz QFGIVNOIGJPNLJ-UHFFFAOYSA-N 1 0 327.384 3.213 20 5 EGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C2CC(C(F)(F)F)C2)n1 ZINC000348692642 456817550 /nfs/dbraw/zinc/81/75/50/456817550.db2.gz FCOFWXWHORQELL-MMVSWEMESA-N 1 0 332.326 3.206 20 5 EGBDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1csc([N+](=O)[O-])c1 ZINC000338437133 456818913 /nfs/dbraw/zinc/81/89/13/456818913.db2.gz DELFKUHPGYZRSG-ZDUSSCGKSA-N 1 0 325.434 3.041 20 5 EGBDRO C[N@H+](CCc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1)C1CC1 ZINC000341235264 456824481 /nfs/dbraw/zinc/82/44/81/456824481.db2.gz ISIXHFPNLRCGJN-UHFFFAOYSA-N 1 0 339.395 3.484 20 5 EGBDRO Cc1nc2sccn2c1C[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000353674163 456847279 /nfs/dbraw/zinc/84/72/79/456847279.db2.gz IDWFKVNASOCKMJ-UHFFFAOYSA-N 1 0 346.412 3.123 20 5 EGBDRO CC(C)(O)[C@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000339043000 456912669 /nfs/dbraw/zinc/91/26/69/456912669.db2.gz KXLMKVMMWJUUKE-CYBMUJFWSA-N 1 0 332.322 3.349 20 5 EGBDRO CC1CCC(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000353819730 456921181 /nfs/dbraw/zinc/92/11/81/456921181.db2.gz UOAQKFIUJYCGLN-UHFFFAOYSA-N 1 0 345.443 3.179 20 5 EGBDRO Cc1nc(N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000362823622 457109829 /nfs/dbraw/zinc/10/98/29/457109829.db2.gz VBSPSCVUKHPPHB-MRXNPFEDSA-N 1 0 326.400 3.009 20 5 EGBDRO Cn1cnc([N+](=O)[O-])c1CN(C1CC1)[C@H]1CCCc2ccccc21 ZINC000356808633 457176762 /nfs/dbraw/zinc/17/67/62/457176762.db2.gz OARIXXSXEFDZDZ-INIZCTEOSA-N 1 0 326.400 3.370 20 5 EGBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C[C@@H]1C ZINC000354417873 457208454 /nfs/dbraw/zinc/20/84/54/457208454.db2.gz DQMYUKQGZXGIAX-JSGCOSHPSA-N 1 0 344.415 3.021 20 5 EGBDRO Cc1ccc(C(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000342286382 457213372 /nfs/dbraw/zinc/21/33/72/457213372.db2.gz WBSWFGUGYBXLJV-UGSOOPFHSA-N 1 0 333.432 3.144 20 5 EGBDRO Cc1cc(C(=O)N[C@@H](C)C[N@H+](C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000342404889 457283682 /nfs/dbraw/zinc/28/36/82/457283682.db2.gz AGONTRXVPQAJQX-HNNXBMFYSA-N 1 0 341.411 3.154 20 5 EGBDRO CC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)CCC1CC1 ZINC000355029938 457337323 /nfs/dbraw/zinc/33/73/23/457337323.db2.gz CFYAHMFSAJNRFB-UHFFFAOYSA-N 1 0 335.404 3.054 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000347336750 457359671 /nfs/dbraw/zinc/35/96/71/457359671.db2.gz LKOXLPHIYVMXDC-IUYQLWOBSA-N 1 0 341.415 3.002 20 5 EGBDRO CC[C@@H](NC(=O)N1CCC[N@@H+](C(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000332398917 457362484 /nfs/dbraw/zinc/36/24/84/457362484.db2.gz ZHLGIXZHGUFJMW-QGZVFWFLSA-N 1 0 348.447 3.172 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(c2nncn2C)CC1 ZINC000347356166 457371547 /nfs/dbraw/zinc/37/15/47/457371547.db2.gz ISHSTYYZVGMALQ-UVTDQMKNSA-N 1 0 341.415 3.006 20 5 EGBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H](CC(C)C)[NH+](CC)CC ZINC000360880691 457403887 /nfs/dbraw/zinc/40/38/87/457403887.db2.gz AKEMXXJYGBFXGR-CQSZACIVSA-N 1 0 325.457 3.288 20 5 EGBDRO Cn1nccc1C1=CCN(Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000352566425 457470908 /nfs/dbraw/zinc/47/09/08/457470908.db2.gz ZKFXZMUJYZGPHO-UHFFFAOYSA-N 1 0 332.791 3.271 20 5 EGBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000361012670 457510782 /nfs/dbraw/zinc/51/07/82/457510782.db2.gz GWSAJEODXMYOQM-CZUORRHYSA-N 1 0 343.431 3.052 20 5 EGBDRO O=[N+]([O-])c1ccc(CN2CC[NH+](CCc3ccccc3)CC2)c(F)c1 ZINC000352691553 457534794 /nfs/dbraw/zinc/53/47/94/457534794.db2.gz AUZXSZOFFABZGB-UHFFFAOYSA-N 1 0 343.402 3.094 20 5 EGBDRO CCCN(CC[NH+](CC)CC)c1ncnc2sc([N+](=O)[O-])cc21 ZINC000342844628 457553041 /nfs/dbraw/zinc/55/30/41/457553041.db2.gz WFDOXCIOCPLITR-UHFFFAOYSA-N 1 0 337.449 3.158 20 5 EGBDRO C[N@H+](CC[C@H]1CCCO1)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425448272 457557387 /nfs/dbraw/zinc/55/73/87/457557387.db2.gz RIKBTOHDGJYUHU-CYBMUJFWSA-N 1 0 343.221 3.358 20 5 EGBDRO CCO[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425491064 457575661 /nfs/dbraw/zinc/57/56/61/457575661.db2.gz LPAOLPCBHJUCAN-TZMCWYRMSA-N 1 0 343.221 3.405 20 5 EGBDRO CCC[C@H]([NH2+]CCN1CCOCC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000361165707 457625098 /nfs/dbraw/zinc/62/50/98/457625098.db2.gz XQEPJVWDUHJCEZ-KRWDZBQOSA-N 1 0 335.448 3.136 20 5 EGBDRO C[C@H]([NH2+][C@H]1CC(=O)N(c2ccccc2F)C1)c1cccc([N+](=O)[O-])c1 ZINC000361185817 457636534 /nfs/dbraw/zinc/63/65/34/457636534.db2.gz IRQCQDNMRGQGSM-JSGCOSHPSA-N 1 0 343.358 3.190 20 5 EGBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@H]3C[C@H]3c3ccccc3)CC2)n1 ZINC000361382836 457713237 /nfs/dbraw/zinc/71/32/37/457713237.db2.gz XRNCSUTYMVFYHV-WBVHZDCISA-N 1 0 326.400 3.232 20 5 EGBDRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1csc([N+](=O)[O-])c1)[NH+](C)C ZINC000357875112 457720228 /nfs/dbraw/zinc/72/02/28/457720228.db2.gz RRJVPRKJONIGNJ-MLGOLLRUSA-N 1 0 347.440 3.386 20 5 EGBDRO CC[C@@H]([NH2+]Cc1ccc(OCCO)cc1)c1cccc([N+](=O)[O-])c1 ZINC000358026490 457744017 /nfs/dbraw/zinc/74/40/17/457744017.db2.gz QISAEEQTQBDIAL-GOSISDBHSA-N 1 0 330.384 3.207 20 5 EGBDRO C[N@@H+]1CCCC12CCN(c1ccc([N+](=O)[O-])c3cccnc31)CC2 ZINC000374989954 457746750 /nfs/dbraw/zinc/74/67/50/457746750.db2.gz RHDVOVCPOVGPAS-UHFFFAOYSA-N 1 0 326.400 3.208 20 5 EGBDRO CC(C)O[C@@H]1C[C@H]([NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000361544464 457786250 /nfs/dbraw/zinc/78/62/50/457786250.db2.gz DWRQPIVBLYUJLL-VBNZEHGJSA-N 1 0 349.431 3.104 20 5 EGBDRO CC[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000411150099 457813389 /nfs/dbraw/zinc/81/33/89/457813389.db2.gz VFHUHXASCCXFMN-ZDUSSCGKSA-N 1 0 335.404 3.197 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@H]1CCC[C@H](C)C1 ZINC000411175319 457820823 /nfs/dbraw/zinc/82/08/23/457820823.db2.gz QIBDEDMUBFUFEU-KBPBESRZSA-N 1 0 349.431 3.443 20 5 EGBDRO Cn1cccc1[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411328211 457858302 /nfs/dbraw/zinc/85/83/02/457858302.db2.gz SPWMUASWYOQEKH-QGZVFWFLSA-N 1 0 342.399 3.099 20 5 EGBDRO C[C@@H](c1cccnc1)[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411425158 457884278 /nfs/dbraw/zinc/88/42/78/457884278.db2.gz QIHRXKWEFFVFGS-ZDUSSCGKSA-N 1 0 328.372 3.011 20 5 EGBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000426761828 457895110 /nfs/dbraw/zinc/89/51/10/457895110.db2.gz DPIXOTWLIVCKDE-GFCCVEGCSA-N 1 0 341.839 3.027 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@H]1CCC(C)(C)C1 ZINC000411669890 457945108 /nfs/dbraw/zinc/94/51/08/457945108.db2.gz RBRCCQCYKUUKKZ-AWEZNQCLSA-N 1 0 349.431 3.443 20 5 EGBDRO Cc1c(C[NH2+]C2CCN(Cc3ccncc3)CC2)cccc1[N+](=O)[O-] ZINC000358342256 457945085 /nfs/dbraw/zinc/94/50/85/457945085.db2.gz UXRNXBVRQXEPTM-UHFFFAOYSA-N 1 0 340.427 3.052 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@@H]1CCC(C)(C)C1 ZINC000411669892 457945610 /nfs/dbraw/zinc/94/56/10/457945610.db2.gz RBRCCQCYKUUKKZ-CQSZACIVSA-N 1 0 349.431 3.443 20 5 EGBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCSC2(CCC2)CC1 ZINC000411871839 457997858 /nfs/dbraw/zinc/99/78/58/457997858.db2.gz TUHUSXUGKCJIMD-CYBMUJFWSA-N 1 0 349.456 3.283 20 5 EGBDRO O=C(CC[N@@H+]1CCSC2(CCC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000411870894 457998618 /nfs/dbraw/zinc/99/86/18/457998618.db2.gz PTOXQOUWZSCKDT-UHFFFAOYSA-N 1 0 349.456 3.285 20 5 EGBDRO COc1cc(C[NH2+][C@H]2CCCC[C@@H]2n2cccn2)ccc1[N+](=O)[O-] ZINC000362022183 458010746 /nfs/dbraw/zinc/01/07/46/458010746.db2.gz FNGRWMVYXJNNHX-GJZGRUSLSA-N 1 0 330.388 3.073 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+]C1(C2CC2)CCOCC1 ZINC000375702691 458030174 /nfs/dbraw/zinc/03/01/74/458030174.db2.gz UXQQEYITUVRCKJ-UHFFFAOYSA-N 1 0 334.416 3.431 20 5 EGBDRO COCC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)C[C@@H]1CC=CCC1 ZINC000362244735 458049526 /nfs/dbraw/zinc/04/95/26/458049526.db2.gz NNZUHLXAGNRSIR-OAHLLOKOSA-N 1 0 334.416 3.408 20 5 EGBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000445996472 458126441 /nfs/dbraw/zinc/12/64/41/458126441.db2.gz QBNRQXNOXAAVKJ-OAGGEKHMSA-N 1 0 347.459 3.010 20 5 EGBDRO C[C@@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000412703784 458278513 /nfs/dbraw/zinc/27/85/13/458278513.db2.gz YJHQDHOXQBVFTO-CYBMUJFWSA-N 1 0 345.424 3.003 20 5 EGBDRO CC(C)[C@H]([NH3+])CNC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000429139722 458279381 /nfs/dbraw/zinc/27/93/81/458279381.db2.gz XWERVURWXCMKPO-OAHLLOKOSA-N 1 0 342.399 3.052 20 5 EGBDRO C[C@@H](C1CCCCC1)[N@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000447397946 458293497 /nfs/dbraw/zinc/29/34/97/458293497.db2.gz POSJCYRIPCSRIO-AWEZNQCLSA-N 1 0 333.432 3.458 20 5 EGBDRO CC(C)C[N@@H+]1CC[C@H](CNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000436395205 458298881 /nfs/dbraw/zinc/29/88/81/458298881.db2.gz WZMCQZHFTLPWGU-LLVKDONJSA-N 1 0 346.353 3.398 20 5 EGBDRO CSc1cc(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)ccn1 ZINC000447586985 458318173 /nfs/dbraw/zinc/31/81/73/458318173.db2.gz PMRVMUXOOIPWAH-KBPBESRZSA-N 1 0 347.444 3.182 20 5 EGBDRO CCOc1cc(CN2CC[N@@H+](C3CCC3)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000429403316 458329821 /nfs/dbraw/zinc/32/98/21/458329821.db2.gz DWRZAIBKSUEALO-HNNXBMFYSA-N 1 0 347.459 3.300 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C/c1nc(-c2ccn3c[nH+]cc3c2)no1 ZINC000447966902 458372704 /nfs/dbraw/zinc/37/27/04/458372704.db2.gz XQLGTLQTONBFPB-AATRIKPKSA-N 1 0 333.307 3.463 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000423432399 458432898 /nfs/dbraw/zinc/43/28/98/458432898.db2.gz BLAXCUOIFTXNMK-MRXNPFEDSA-N 1 0 345.443 3.124 20 5 EGBDRO CC(C)c1ccc(C(=O)Nc2ccc(OCC[NH3+])cc2)cc1[N+](=O)[O-] ZINC000423516278 458449313 /nfs/dbraw/zinc/44/93/13/458449313.db2.gz WIYXRSGFAXDHOL-UHFFFAOYSA-N 1 0 343.383 3.308 20 5 EGBDRO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000430816469 458494417 /nfs/dbraw/zinc/49/44/17/458494417.db2.gz MQXLYPBTPAOVQX-AEFFLSMTSA-N 1 0 347.459 3.154 20 5 EGBDRO O=[N+]([O-])c1cc2ccccc2nc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000373700397 458577400 /nfs/dbraw/zinc/57/74/00/458577400.db2.gz MSQIESFLHXIICD-OAHLLOKOSA-N 1 0 340.427 3.455 20 5 EGBDRO COCC[N@@H+]1CC[C@@H](Nc2cc(C)c([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000461956821 458583604 /nfs/dbraw/zinc/58/36/04/458583604.db2.gz LJWMOFAJQZKKOF-LLVKDONJSA-N 1 0 347.337 3.055 20 5 EGBDRO CCC1(CC)CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000438486672 458585695 /nfs/dbraw/zinc/58/56/95/458585695.db2.gz QIGJWOWINKMBRG-ZDUSSCGKSA-N 1 0 349.431 3.443 20 5 EGBDRO CCC1(CC)CC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000438507991 458588237 /nfs/dbraw/zinc/58/82/37/458588237.db2.gz XEPNUYUDKSBKKH-INIZCTEOSA-N 1 0 331.416 3.212 20 5 EGBDRO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)[C@H]1C ZINC000470139385 458615827 /nfs/dbraw/zinc/61/58/27/458615827.db2.gz BQCFMHWQLAVIDY-GXTWGEPZSA-N 1 0 344.367 3.238 20 5 EGBDRO CCOC(=O)[C@@H]1CCC[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000470174117 458621525 /nfs/dbraw/zinc/62/15/25/458621525.db2.gz QOGAVDNWYMGCOW-HFQYIWAZSA-N 1 0 332.400 3.273 20 5 EGBDRO CC[N@H+](Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)CC(C)(C)C ZINC000462826757 458659470 /nfs/dbraw/zinc/65/94/70/458659470.db2.gz SNYNMXKDBDMINC-UHFFFAOYSA-N 1 0 338.404 3.015 20 5 EGBDRO C[C@@H]1C[N@@H+](CCCNc2ccnc3c2cccc3[N+](=O)[O-])C[C@H](C)O1 ZINC000432326298 458716785 /nfs/dbraw/zinc/71/67/85/458716785.db2.gz OVMVYISEPXPPQW-OKILXGFUSA-N 1 0 344.415 3.054 20 5 EGBDRO CCc1ccc(C(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000471821174 458737375 /nfs/dbraw/zinc/73/73/75/458737375.db2.gz JPGXUOMBBPUIBM-KGLIPLIRSA-N 1 0 333.432 3.007 20 5 EGBDRO Cc1c(C(=O)NC[C@@H]2CCCC[N@H+]2CC(C)C)cccc1[N+](=O)[O-] ZINC000439700530 458743449 /nfs/dbraw/zinc/74/34/49/458743449.db2.gz XULFUCOTBKUOIS-HNNXBMFYSA-N 1 0 333.432 3.144 20 5 EGBDRO COc1ccc(-c2ccc(C[N@@H+]3CCC[C@]3(C)CO)o2)c([N+](=O)[O-])c1 ZINC000530389855 458758639 /nfs/dbraw/zinc/75/86/39/458758639.db2.gz ULNPCORGCIGYKV-GOSISDBHSA-N 1 0 346.383 3.210 20 5 EGBDRO CC(C)(C[NH+]1CCCC1)NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000457026946 458841995 /nfs/dbraw/zinc/84/19/95/458841995.db2.gz ILYVLPFISNRDOL-UHFFFAOYSA-N 1 0 347.440 3.414 20 5 EGBDRO CC[C@H]([NH2+]Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)C(C)(C)C ZINC000474350833 458878671 /nfs/dbraw/zinc/87/86/71/458878671.db2.gz ADFKUELTIOUSGZ-HNNXBMFYSA-N 1 0 338.404 3.061 20 5 EGBDRO CCOC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000495565852 458883755 /nfs/dbraw/zinc/88/37/55/458883755.db2.gz NFTPIVXHQBCPCF-WCQYABFASA-N 1 0 341.433 3.003 20 5 EGBDRO COc1ccc(OCC[N@@H+]2CC[C@@H](c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000441546369 458959061 /nfs/dbraw/zinc/95/90/61/458959061.db2.gz UWUQHUSNVNKXDB-MRXNPFEDSA-N 1 0 342.395 3.472 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCCCn1ccnc1)C1CC1 ZINC000531684709 458961581 /nfs/dbraw/zinc/96/15/81/458961581.db2.gz RRYVQDVGBGHNOQ-QGZVFWFLSA-N 1 0 328.416 3.182 20 5 EGBDRO COC1CCN(C(C)(C)C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000531719247 458968191 /nfs/dbraw/zinc/96/81/91/458968191.db2.gz FHEPDOACLRZIIY-HNNXBMFYSA-N 1 0 349.475 3.443 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@](O)(C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000589950190 459056614 /nfs/dbraw/zinc/05/66/14/459056614.db2.gz YBIAQNRESIMVER-SUHUHFCYSA-N 1 0 332.322 3.400 20 5 EGBDRO COc1cccc2c1OC[C@@H]([NH2+][C@@H]1CCc3c1cccc3[N+](=O)[O-])C2 ZINC000594495112 459060313 /nfs/dbraw/zinc/06/03/13/459060313.db2.gz OWMTZVGCBNXXNQ-XJKSGUPXSA-N 1 0 340.379 3.184 20 5 EGBDRO Cc1cccc(C[C@H](CO)[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000594499795 459063929 /nfs/dbraw/zinc/06/39/29/459063929.db2.gz KAELVGCHRWJDSI-QAPCUYQASA-N 1 0 326.396 3.084 20 5 EGBDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000520536344 459068983 /nfs/dbraw/zinc/06/89/83/459068983.db2.gz BZRWHPBXVIIWNV-ZDUSSCGKSA-N 1 0 335.448 3.352 20 5 EGBDRO Cc1ccc([C@H]2CCC[C@H]2[N@H+](C)CCn2ccc([N+](=O)[O-])n2)cc1 ZINC000478035046 459073122 /nfs/dbraw/zinc/07/31/22/459073122.db2.gz LUMJOCLFQDXXLR-IAGOWNOFSA-N 1 0 328.416 3.368 20 5 EGBDRO Cc1ccc(C[NH2+][C@H]2CCCN(C3CCCCC3)C2=O)cc1[N+](=O)[O-] ZINC000443002528 459073533 /nfs/dbraw/zinc/07/35/33/459073533.db2.gz OYVNCIDDICGVPQ-KRWDZBQOSA-N 1 0 345.443 3.317 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCc1ncc(C)cc1C ZINC000594522384 459078601 /nfs/dbraw/zinc/07/86/01/459078601.db2.gz RAHQVWBIMPGUJF-UHFFFAOYSA-N 1 0 329.400 3.338 20 5 EGBDRO CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C[C@H]1CCOC1 ZINC000590154138 459093985 /nfs/dbraw/zinc/09/39/85/459093985.db2.gz DLFSURNQKODSIS-LLVKDONJSA-N 1 0 332.322 3.472 20 5 EGBDRO CC1(C)C[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)[C@@H]2CCC[C@H]21 ZINC000590380160 459122598 /nfs/dbraw/zinc/12/25/98/459122598.db2.gz YRFUPFIHBDVJTP-ZIAGYGMSSA-N 1 0 332.400 3.377 20 5 EGBDRO C[C@@H]1CCN(CC[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000532801698 459148566 /nfs/dbraw/zinc/14/85/66/459148566.db2.gz GQKITJSUUUZPFL-RYRKJORJSA-N 1 0 331.460 3.237 20 5 EGBDRO C[C@@H]1CC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@@H]2CCCC[C@@H]12 ZINC000532918042 459160454 /nfs/dbraw/zinc/16/04/54/459160454.db2.gz VLPLMOOLWRCACS-FHLIZLRMSA-N 1 0 345.443 3.458 20 5 EGBDRO CCc1nn(C)cc1C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000590659608 459173896 /nfs/dbraw/zinc/17/38/96/459173896.db2.gz WOZAVLSYDHVPEY-OAHLLOKOSA-N 1 0 328.416 3.270 20 5 EGBDRO CC(C)[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])CC1CC1 ZINC000533035474 459179329 /nfs/dbraw/zinc/17/93/29/459179329.db2.gz FEBDCPIVTGRTEO-UHFFFAOYSA-N 1 0 325.796 3.307 20 5 EGBDRO C[S@](=O)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000594961264 459193487 /nfs/dbraw/zinc/19/34/87/459193487.db2.gz MLHXNTGQBCYBDX-FTFVXWMISA-N 1 0 330.837 3.028 20 5 EGBDRO CC(C)O[C@H]1C[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1(C)C ZINC000590756636 459206940 /nfs/dbraw/zinc/20/69/40/459206940.db2.gz DNURCXQUTRMAJX-GJZGRUSLSA-N 1 0 333.388 3.418 20 5 EGBDRO CCCN1CC[C@@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000594992220 459207594 /nfs/dbraw/zinc/20/75/94/459207594.db2.gz QRZIVDCMXNMEGW-CQSZACIVSA-N 1 0 329.400 3.429 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1CN1CCc2cccc(OC)c2C1 ZINC000590760156 459208278 /nfs/dbraw/zinc/20/82/78/459208278.db2.gz ZKNRDIJIBRLMCN-UHFFFAOYSA-N 1 0 328.368 3.170 20 5 EGBDRO CC(C)c1ccc(C[NH2+]C[C@@H]2CC(=O)N(C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000594992554 459208719 /nfs/dbraw/zinc/20/87/19/459208719.db2.gz GTEHBSYGCLFYBC-HNNXBMFYSA-N 1 0 347.459 3.455 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCCC(=O)OC(C)(C)C ZINC000595011486 459215849 /nfs/dbraw/zinc/21/58/49/459215849.db2.gz HREFVIRPUVJWRO-LBPRGKRZSA-N 1 0 338.404 3.376 20 5 EGBDRO CC[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000533299518 459216557 /nfs/dbraw/zinc/21/65/57/459216557.db2.gz FTKHVDJALQXUJZ-KBPBESRZSA-N 1 0 349.431 3.443 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CCCCc3ccccc3)C2)nc1 ZINC000480768974 459218503 /nfs/dbraw/zinc/21/85/03/459218503.db2.gz HGNNMYYJBMHAFA-KRWDZBQOSA-N 1 0 340.427 3.499 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](CO)[C@H](C)c1ccccc1 ZINC000595020508 459218600 /nfs/dbraw/zinc/21/86/00/459218600.db2.gz ZWZWXIRKRSXPJO-GLJUWKHASA-N 1 0 344.411 3.419 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC1([C@H](C)CCO)CCC1 ZINC000595029267 459221859 /nfs/dbraw/zinc/22/18/59/459221859.db2.gz YFKFJZVFOFHRLD-ZIAGYGMSSA-N 1 0 336.432 3.443 20 5 EGBDRO C[C@H]1CC(C)(C)CC[C@H]1[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000481123714 459234623 /nfs/dbraw/zinc/23/46/23/459234623.db2.gz QRNYFIWDORGHNL-XJKSGUPXSA-N 1 0 345.443 3.288 20 5 EGBDRO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@@H+]([C@H]4C=CCCC4)CC3)nc2c1 ZINC000481180947 459238053 /nfs/dbraw/zinc/23/80/53/459238053.db2.gz VIODIVUBTHOFJE-AWEZNQCLSA-N 1 0 341.415 3.092 20 5 EGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC[C@H]([S@@](C)=O)C1 ZINC000595075222 459238611 /nfs/dbraw/zinc/23/86/11/459238611.db2.gz YSKYEUXBPBUMQI-LHOMAEKWSA-N 1 0 338.473 3.195 20 5 EGBDRO Cn1ncc(C2CC2)c1C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000595078016 459238810 /nfs/dbraw/zinc/23/88/10/459238810.db2.gz SBEBRLYDJYSQPF-KRWDZBQOSA-N 1 0 340.427 3.317 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H](O)[C@@H](C)c1ccccc1 ZINC000595107640 459247319 /nfs/dbraw/zinc/24/73/19/459247319.db2.gz OZSCLPWPPHKLGW-DEYYWGMASA-N 1 0 344.411 3.419 20 5 EGBDRO C[C@@H](NC(=O)C[C@H]1[NH2+]Cc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000595250466 459262648 /nfs/dbraw/zinc/26/26/48/459262648.db2.gz STKVBPXPOPLXKY-SJKOYZFVSA-N 1 0 325.368 3.007 20 5 EGBDRO O=C(CC[NH2+]Cc1ccc(Cl)cc1)Nc1ccccc1[N+](=O)[O-] ZINC000560056032 459296538 /nfs/dbraw/zinc/29/65/38/459296538.db2.gz JDOOFJWOMRHTHN-UHFFFAOYSA-N 1 0 333.775 3.367 20 5 EGBDRO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])[C@H]1OC ZINC000482526210 459312083 /nfs/dbraw/zinc/31/20/83/459312083.db2.gz DKYLFVCOWQSWQN-LONRUODHSA-N 1 0 348.443 3.088 20 5 EGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCN1CC[C@H](C)C1 ZINC000534329400 459314909 /nfs/dbraw/zinc/31/49/09/459314909.db2.gz QPRIWOYTEZUGQQ-GJZGRUSLSA-N 1 0 337.489 3.397 20 5 EGBDRO CC(C)(C)[N@@H+]1CCCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000524058466 459343953 /nfs/dbraw/zinc/34/39/53/459343953.db2.gz NLOARLHOMOVWHB-UHFFFAOYSA-N 1 0 339.823 3.195 20 5 EGBDRO CC(C)(C)[C@H]1CCC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000483248802 459354112 /nfs/dbraw/zinc/35/41/12/459354112.db2.gz GPATTYICVZMKNW-GOEBONIOSA-N 1 0 336.432 3.093 20 5 EGBDRO C[C@](CO)(C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000483657342 459379928 /nfs/dbraw/zinc/37/99/28/459379928.db2.gz HQJFECHMVRRVMB-WUTDNEBXSA-N 1 0 340.423 3.439 20 5 EGBDRO Cc1ccc(C)c(OC[C@@H](O)C[NH2+]Cc2cccc([N+](=O)[O-])c2)c1C ZINC000582780525 459425902 /nfs/dbraw/zinc/42/59/02/459425902.db2.gz VKECFHGHLHCKTA-SFHVURJKSA-N 1 0 344.411 3.050 20 5 EGBDRO CCC1(CC)CC[NH+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000485907590 459478595 /nfs/dbraw/zinc/47/85/95/459478595.db2.gz RPPWUFBVPWWVIT-HNNXBMFYSA-N 1 0 336.432 3.237 20 5 EGBDRO C[N@@H+]1CCC[C@@H](CNc2cc[nH]c(=O)c2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000596147137 459537527 /nfs/dbraw/zinc/53/75/27/459537527.db2.gz UOVCXOBHBUFQTE-FZMZJTMJSA-N 1 0 348.428 3.252 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000526063089 459541812 /nfs/dbraw/zinc/54/18/12/459541812.db2.gz RNFZXMQPWTYBJJ-VHUCWBOISA-N 1 0 343.427 3.085 20 5 EGBDRO [NH3+]C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)C1 ZINC000592294653 459572180 /nfs/dbraw/zinc/57/21/80/459572180.db2.gz XUDNTRGBHPYNLS-GFCCVEGCSA-N 1 0 349.456 3.050 20 5 EGBDRO CC(C)n1cc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cn1 ZINC000542573325 459572915 /nfs/dbraw/zinc/57/29/15/459572915.db2.gz HJKKJDQHIRVADY-OLZOCXBDSA-N 1 0 345.403 3.050 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](O)COc1ccccc1 ZINC000527038635 459580745 /nfs/dbraw/zinc/58/07/45/459580745.db2.gz LFUNKOMXAOOPII-KAPURRDVSA-N 1 0 342.395 3.028 20 5 EGBDRO CC[C@@H](C)C[C@H](CO)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000592374367 459583112 /nfs/dbraw/zinc/58/31/12/459583112.db2.gz CMCKZLFWQCFTPV-ZYHUDNBSSA-N 1 0 332.347 3.083 20 5 EGBDRO Cc1cc(C(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000498406640 459588954 /nfs/dbraw/zinc/58/89/54/459588954.db2.gz RHXGPNCECYFHSC-IYBDPMFKSA-N 1 0 347.459 3.391 20 5 EGBDRO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C12CCC2 ZINC000583805261 459598546 /nfs/dbraw/zinc/59/85/46/459598546.db2.gz HDTQBQDQBDKJFI-FXUDXRNXSA-N 1 0 348.447 3.212 20 5 EGBDRO C[C@H]1COc2ccccc2C[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000542944510 459613204 /nfs/dbraw/zinc/61/32/04/459613204.db2.gz WJQMDHYKPSRAIQ-AWEZNQCLSA-N 1 0 328.368 3.257 20 5 EGBDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000501033259 459707722 /nfs/dbraw/zinc/70/77/22/459707722.db2.gz GJBQTEBUXQIJJL-VXGBXAGGSA-N 1 0 339.461 3.143 20 5 EGBDRO CC(C)(O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C1CCOCC1 ZINC000543859714 459707779 /nfs/dbraw/zinc/70/77/79/459707779.db2.gz UQUNOBBKDOGPLX-UHFFFAOYSA-N 1 0 342.823 3.000 20 5 EGBDRO CCCCC[C@H]1CCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000544145280 459733165 /nfs/dbraw/zinc/73/31/65/459733165.db2.gz HLMRTFHEOFJYET-HOTGVXAUSA-N 1 0 336.432 3.379 20 5 EGBDRO Cc1cncc(CC[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000593029515 459745997 /nfs/dbraw/zinc/74/59/97/459745997.db2.gz BQUZBYDIGZRBNA-INIZCTEOSA-N 1 0 326.400 3.115 20 5 EGBDRO Cc1cc(NC(=O)NCC2CC[NH+](CC3CC3)CC2)ccc1[N+](=O)[O-] ZINC000596822970 459771492 /nfs/dbraw/zinc/77/14/92/459771492.db2.gz JCOKIRMCYUMQBV-UHFFFAOYSA-N 1 0 346.431 3.147 20 5 EGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]Cc1ccc(Cn2cncn2)cc1 ZINC000574293080 459803664 /nfs/dbraw/zinc/80/36/64/459803664.db2.gz XLTSINOBNSCERE-SFHVURJKSA-N 1 0 349.394 3.012 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000598262886 459843130 /nfs/dbraw/zinc/84/31/30/459843130.db2.gz NHXAEQMJKDBDLF-HNNXBMFYSA-N 1 0 333.432 3.062 20 5 EGBDRO Cc1ccc([C@@H](C)NC(=O)[C@@H]2CC[N@@H+]2C2CCCC2)cc1[N+](=O)[O-] ZINC000602117170 459847257 /nfs/dbraw/zinc/84/72/57/459847257.db2.gz OZVKFJUMYDYYDN-CJNGLKHVSA-N 1 0 331.416 3.097 20 5 EGBDRO C[C@@H](O)C[C@@H]1CCCCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000586779758 459869963 /nfs/dbraw/zinc/86/99/63/459869963.db2.gz YGCGHNSNSCCJRT-WBVHZDCISA-N 1 0 336.432 3.379 20 5 EGBDRO Cc1c(NC(=O)[C@H](C)[NH+]2CCC3(CCC3)CC2)cccc1[N+](=O)[O-] ZINC000586783363 459872057 /nfs/dbraw/zinc/87/20/57/459872057.db2.gz KUFPXDYMRYVINC-AWEZNQCLSA-N 1 0 331.416 3.496 20 5 EGBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc2[nH]c(=O)oc2c1 ZINC000586789880 459873728 /nfs/dbraw/zinc/87/37/28/459873728.db2.gz KBBGQMFRAWQALB-NSHDSACASA-N 1 0 327.340 3.335 20 5 EGBDRO COc1cc(C[NH+]2CCc3ccccc3CC2)c([N+](=O)[O-])cc1F ZINC000545930766 459874885 /nfs/dbraw/zinc/87/48/85/459874885.db2.gz HFYDHUWLOXCSIE-UHFFFAOYSA-N 1 0 330.359 3.343 20 5 EGBDRO C[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)C[C@H]1COCCO1 ZINC000597206297 459876554 /nfs/dbraw/zinc/87/65/54/459876554.db2.gz OSAAGDMKMYSFPD-ZDUSSCGKSA-N 1 0 348.424 3.171 20 5 EGBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000608932587 459895001 /nfs/dbraw/zinc/89/50/01/459895001.db2.gz NVVVUZKWNYTBQU-UHFFFAOYSA-N 1 0 339.395 3.446 20 5 EGBDRO CC[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)[C@H](C)C1 ZINC000588068486 459908579 /nfs/dbraw/zinc/90/85/79/459908579.db2.gz PFWNTPRGUZIKIJ-CQSZACIVSA-N 1 0 326.400 3.187 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@H]1CCC[C@@H](CO)C1)C1CC1 ZINC000588232904 459935889 /nfs/dbraw/zinc/93/58/89/459935889.db2.gz KKYJFJVXVRXLHV-HDMKZQKVSA-N 1 0 332.444 3.304 20 5 EGBDRO C[N@@H+](Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C[C@H]1CCC[C@@H]1O ZINC000602485385 459963317 /nfs/dbraw/zinc/96/33/17/459963317.db2.gz ONURUHGFCLKSPY-RISCZKNCSA-N 1 0 332.322 3.206 20 5 EGBDRO O=[N+]([O-])c1sc(C[NH2+]CCc2ccccn2)cc1Br ZINC000602503392 459971638 /nfs/dbraw/zinc/97/16/38/459971638.db2.gz IQBUUOCDJRKVFZ-UHFFFAOYSA-N 1 0 342.218 3.146 20 5 EGBDRO CC[C@H]1C[N@H+](C)CCCN1C(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000588821358 459987080 /nfs/dbraw/zinc/98/70/80/459987080.db2.gz FEBXAHUDRQQYIX-HNNXBMFYSA-N 1 0 333.432 3.275 20 5 EGBDRO O=[N+]([O-])c1sc(C[NH2+]CCc2nccs2)cc1Br ZINC000602534468 459987497 /nfs/dbraw/zinc/98/74/97/459987497.db2.gz VHPGKGQQKNYAQN-UHFFFAOYSA-N 1 0 348.247 3.208 20 5 EGBDRO [NH3+][C@]12CCC[C@@H]1CN(C(=O)c1cc3ccccc3c3cccnc13)C2 ZINC000621694708 460011786 /nfs/dbraw/zinc/01/17/86/460011786.db2.gz KYIKAVGERMZFES-VFNWGFHPSA-N 1 0 331.419 3.341 20 5 EGBDRO C[C@H](O)[C@@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602590828 460014542 /nfs/dbraw/zinc/01/45/42/460014542.db2.gz JCVNOQYWURFZRH-WDEREUQCSA-N 1 0 332.322 3.206 20 5 EGBDRO CC[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000609766771 460014801 /nfs/dbraw/zinc/01/48/01/460014801.db2.gz PCIDCYQBHUBPKW-ZIAGYGMSSA-N 1 0 349.431 3.443 20 5 EGBDRO C[C@H]1OCC[C@@]1(C)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602611612 460022552 /nfs/dbraw/zinc/02/25/52/460022552.db2.gz YARDFPHMMWYONY-RDDDGLTNSA-N 1 0 335.223 3.076 20 5 EGBDRO CC(C)(C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)Oc1ccccc1 ZINC000602641450 460037626 /nfs/dbraw/zinc/03/76/26/460037626.db2.gz ROWSLJYXQWNXHC-UHFFFAOYSA-N 1 0 344.415 3.286 20 5 EGBDRO C[C@@H]1CCC[C@@H](C)C1[NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000589162429 460041746 /nfs/dbraw/zinc/04/17/46/460041746.db2.gz VCCBRQLWCWJTTH-IOASZLSFSA-N 1 0 331.416 3.114 20 5 EGBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C/C=C\c3ccc(F)c(F)c3)CC2)n1 ZINC000589176626 460045715 /nfs/dbraw/zinc/04/57/15/460045715.db2.gz OMSRFVSTLACHEW-UPHRSURJSA-N 1 0 348.353 3.420 20 5 EGBDRO Cn1cc([C@H]2C[N@H+](Cc3c(F)cccc3[N+](=O)[O-])CC2(C)C)cn1 ZINC000593997468 460047857 /nfs/dbraw/zinc/04/78/57/460047857.db2.gz JJIBDFUAIGAJBM-CQSZACIVSA-N 1 0 332.379 3.093 20 5 EGBDRO CC[C@@H]([NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)C(C)(C)O ZINC000602675547 460059698 /nfs/dbraw/zinc/05/96/98/460059698.db2.gz HIYOHEYLSJTANQ-SECBINFHSA-N 1 0 337.239 3.058 20 5 EGBDRO C[C@H]1CCC[C@]1(O)C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602677086 460060428 /nfs/dbraw/zinc/06/04/28/460060428.db2.gz RXNOJFZIOZTVOE-UFBFGSQYSA-N 1 0 349.250 3.060 20 5 EGBDRO CCOCC(C)(C)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602677223 460060442 /nfs/dbraw/zinc/06/04/42/460060442.db2.gz XAMKBVYAIOYDEN-UHFFFAOYSA-N 1 0 337.239 3.324 20 5 EGBDRO COc1cc(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)ccc1C ZINC000618567131 460063255 /nfs/dbraw/zinc/06/32/55/460063255.db2.gz VSEMGAKOGQINMM-JKSUJKDBSA-N 1 0 344.415 3.382 20 5 EGBDRO CC(C)OC(=O)C[C@@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])C(C)C ZINC000594038548 460067604 /nfs/dbraw/zinc/06/76/04/460067604.db2.gz BWKOUIGRWDBYQH-CQSZACIVSA-N 1 0 326.368 3.190 20 5 EGBDRO C[C@H]1SCC[C@@H]1[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602704952 460076356 /nfs/dbraw/zinc/07/63/56/460076356.db2.gz XOJQVUFBQDQJPA-MUWHJKNJSA-N 1 0 337.264 3.402 20 5 EGBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000597856011 460080093 /nfs/dbraw/zinc/08/00/93/460080093.db2.gz URUFHHAEUVUTOO-NSHDSACASA-N 1 0 339.823 3.098 20 5 EGBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000597862274 460083961 /nfs/dbraw/zinc/08/39/61/460083961.db2.gz ZCSNYIOIYWUNJX-AWEZNQCLSA-N 1 0 347.459 3.109 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594095159 460099583 /nfs/dbraw/zinc/09/95/83/460099583.db2.gz TZPDHEYWZLFDQM-CVEARBPZSA-N 1 0 332.404 3.042 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594109023 460104534 /nfs/dbraw/zinc/10/45/34/460104534.db2.gz MYUSDXWYFRVKKF-RDJZCZTQSA-N 1 0 346.431 3.296 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)c1 ZINC000610281723 460106334 /nfs/dbraw/zinc/10/63/34/460106334.db2.gz CBDAMCYGHRHZQI-MRXNPFEDSA-N 1 0 341.411 3.314 20 5 EGBDRO CCc1nc(C)c([C@H](C)[N@H+](C)CCn2c(C)ncc2[N+](=O)[O-])s1 ZINC000602778150 460120630 /nfs/dbraw/zinc/12/06/30/460120630.db2.gz CAWHHKISHTXHQB-NSHDSACASA-N 1 0 337.449 3.120 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@H](c2ccc(C)cc2)C[C@@H]1C ZINC000602819391 460144075 /nfs/dbraw/zinc/14/40/75/460144075.db2.gz ARHGAAXHAWNQEG-WMLDXEAASA-N 1 0 328.416 3.286 20 5 EGBDRO CN(CC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])CC(F)F ZINC000599088154 460157375 /nfs/dbraw/zinc/15/73/75/460157375.db2.gz ARBMNFUCVFXGRU-UKRRQHHQSA-N 1 0 341.402 3.093 20 5 EGBDRO C[C@H]([NH2+]CC[C@@H](O)COCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000599091112 460157807 /nfs/dbraw/zinc/15/78/07/460157807.db2.gz XNBISBBZTXVQEZ-HNAYVOBHSA-N 1 0 344.411 3.213 20 5 EGBDRO CC[C@H](NC(=O)N[C@H](C)C1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000610530142 460177225 /nfs/dbraw/zinc/17/72/25/460177225.db2.gz MGEFUTNHCBLVKG-DYVFJYSZSA-N 1 0 348.447 3.075 20 5 EGBDRO CC[C@H](C[NH+]1CCCC1)Nc1ncc([N+](=O)[O-])cc1Br ZINC000610575773 460186850 /nfs/dbraw/zinc/18/68/50/460186850.db2.gz PBOJLEPFJZJGCD-SNVBAGLBSA-N 1 0 343.225 3.039 20 5 EGBDRO C[C@@](CO)([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CCCCC1 ZINC000610585815 460189829 /nfs/dbraw/zinc/18/98/29/460189829.db2.gz FDIZIVZVKQCNSK-KRWDZBQOSA-N 1 0 333.388 3.157 20 5 EGBDRO CCC(C)(C)[NH+]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000594389460 460203052 /nfs/dbraw/zinc/20/30/52/460203052.db2.gz ITLSUJKXWVACFL-UHFFFAOYSA-N 1 0 345.399 3.287 20 5 EGBDRO Cc1c(CC(=O)N(C)CCCC[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000603406127 460298838 /nfs/dbraw/zinc/29/88/38/460298838.db2.gz HHIDWMKZBFSUAE-UHFFFAOYSA-N 1 0 347.459 3.170 20 5 EGBDRO COc1ccc([C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2OC)C2CC2)cn1 ZINC000599701658 460315298 /nfs/dbraw/zinc/31/52/98/460315298.db2.gz BSLQWJFIGUXTNQ-GOSISDBHSA-N 1 0 343.383 3.248 20 5 EGBDRO CC[N@@H+]1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@@H]1C ZINC000611271205 460324005 /nfs/dbraw/zinc/32/40/05/460324005.db2.gz YLNHILGSMLCKGV-ZDUSSCGKSA-N 1 0 346.456 3.244 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3nccc4ccccc43)C2)nc1 ZINC000611272512 460324017 /nfs/dbraw/zinc/32/40/17/460324017.db2.gz PKUYQHUPNVRBEH-OAHLLOKOSA-N 1 0 349.394 3.224 20 5 EGBDRO O=[N+]([O-])c1ncccc1N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000603840662 460345755 /nfs/dbraw/zinc/34/57/55/460345755.db2.gz PQARWCRTXFMGPK-UHFFFAOYSA-N 1 0 348.406 3.465 20 5 EGBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCC(F)(F)C1 ZINC000611475934 460372935 /nfs/dbraw/zinc/37/29/35/460372935.db2.gz VWIQFHOPRJPBQV-ZYHUDNBSSA-N 1 0 327.331 3.089 20 5 EGBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000604187301 460386823 /nfs/dbraw/zinc/38/68/23/460386823.db2.gz KVXVASMABHLGMK-UHFFFAOYSA-N 1 0 345.443 3.323 20 5 EGBDRO COc1ccc(C)cc1C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000619705894 460419919 /nfs/dbraw/zinc/41/99/19/460419919.db2.gz WIJUQCOFNKFYOM-UHFFFAOYSA-N 1 0 343.383 3.030 20 5 EGBDRO C[C@@H]1CCCC[N@@H+]1CCCCNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611700115 460431762 /nfs/dbraw/zinc/43/17/62/460431762.db2.gz CZDBBSGOMDJDEC-CQSZACIVSA-N 1 0 343.431 3.026 20 5 EGBDRO C[N@@H+]1CCCC[C@H](CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000600313472 460471118 /nfs/dbraw/zinc/47/11/18/460471118.db2.gz XRPLYKPNEQBXOO-GFCCVEGCSA-N 1 0 347.440 3.271 20 5 EGBDRO Cc1cc(N2CCO[C@H](C(F)(F)F)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000611930378 460490682 /nfs/dbraw/zinc/49/06/82/460490682.db2.gz FITPCMSWEOKZIJ-AWEZNQCLSA-N 1 0 341.289 3.219 20 5 EGBDRO CC[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000612121337 460547742 /nfs/dbraw/zinc/54/77/42/460547742.db2.gz IWUJSBQXSJKHKP-HOTGVXAUSA-N 1 0 336.432 3.283 20 5 EGBDRO CCOc1cc(C[NH2+][C@H](CO)[C@H](C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000617221171 460778582 /nfs/dbraw/zinc/77/85/82/460778582.db2.gz CTFJNUTUZCASAQ-RHSMWYFYSA-N 1 0 344.411 3.248 20 5 EGBDRO Cc1ncc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)s1 ZINC000601936368 460950578 /nfs/dbraw/zinc/95/05/78/460950578.db2.gz SNLMGNPKGBWFOV-UWVGGRQHSA-N 1 0 334.401 3.038 20 5 EGBDRO Cc1ncc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])s1 ZINC000601936303 460950734 /nfs/dbraw/zinc/95/07/34/460950734.db2.gz RWBFHAGDPFYLLE-VHSXEESVSA-N 1 0 334.401 3.038 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CNc1cccc(C[NH+](C)C)c1 ZINC000601937302 460952676 /nfs/dbraw/zinc/95/26/76/460952676.db2.gz YMLBYQZOGSTKPF-UHFFFAOYSA-N 1 0 342.399 3.015 20 5 EGBDRO C[C@H]([NH2+]CCn1ccc(C(F)(F)F)n1)c1ccc([N+](=O)[O-])cc1 ZINC000601941855 460954921 /nfs/dbraw/zinc/95/49/21/460954921.db2.gz QJWGJAPMSDDNKY-JTQLQIEISA-N 1 0 328.294 3.161 20 5 EGBDRO C[C@H](NC(=O)c1csc([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181553286 533779128 /nfs/dbraw/zinc/77/91/28/533779128.db2.gz GCOAJVNHIVAECI-NWDGAFQWSA-N 1 0 337.445 3.039 20 5 EGBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(C(F)(F)F)cc1 ZINC000130986902 533876595 /nfs/dbraw/zinc/87/65/95/533876595.db2.gz HZIHBPXRDVOHSX-JTQLQIEISA-N 1 0 328.294 3.161 20 5 EGBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[NH+](C2CCCCC2)CC1 ZINC000155018869 534466100 /nfs/dbraw/zinc/46/61/00/534466100.db2.gz IRRGTALFUDISKP-UHFFFAOYSA-N 1 0 345.443 3.004 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@H](O)c1ccccc1F)C1CC1 ZINC000130309538 534887549 /nfs/dbraw/zinc/88/75/49/534887549.db2.gz PCICEOFJIAGHJG-HKUYNNGSSA-N 1 0 344.386 3.378 20 5 EGBDRO CC(C)CCOC1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000178574664 527746766 /nfs/dbraw/zinc/74/67/66/527746766.db2.gz YQFGAVWQPVMTHY-GOSISDBHSA-N 1 0 336.432 3.155 20 5 EGBDRO CCC[N@H+](C)C[C@@H]1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000154071919 527837695 /nfs/dbraw/zinc/83/76/95/527837695.db2.gz XDAMCZRRPMXWRI-AWEZNQCLSA-N 1 0 325.840 3.412 20 5 EGBDRO CCNC(=O)c1cccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000178645219 528270228 /nfs/dbraw/zinc/27/02/28/528270228.db2.gz FPPVUJHEROBYLM-CYBMUJFWSA-N 1 0 327.384 3.195 20 5 EGBDRO CC(C)CC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000351492411 534957015 /nfs/dbraw/zinc/95/70/15/534957015.db2.gz KBWGMOGBEKENJI-CJNGLKHVSA-N 1 0 333.432 3.388 20 5 EGBDRO CCC[C@@](C)(O)C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000264939861 535546545 /nfs/dbraw/zinc/54/65/45/535546545.db2.gz FROGVLWLNCDUJE-MRXNPFEDSA-N 1 0 335.429 3.359 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]Cc2nc3ccccc3s2)cc1 ZINC000727059803 574638602 /nfs/dbraw/zinc/63/86/02/574638602.db2.gz LDHWZZOCUBKKTA-CQSZACIVSA-N 1 0 329.381 3.028 20 5 EGBDRO CC[NH+](CC)[C@@H](CNc1ccc([N+](=O)[O-])c2nonc21)c1ccco1 ZINC000742564728 576789991 /nfs/dbraw/zinc/78/99/91/576789991.db2.gz RSJUJQMCUWQPGQ-ZDUSSCGKSA-N 1 0 345.359 3.219 20 5 EGBDRO CC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C[C@@H](O)c1ccc(C)cc1 ZINC000743863548 576817368 /nfs/dbraw/zinc/81/73/68/576817368.db2.gz AOQGUZPVNWSIAC-LJQANCHMSA-N 1 0 344.411 3.338 20 5 EGBDRO COC(=O)Nc1ccc(CC[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000873056100 1297250633 /nfs/dbraw/zinc/25/06/33/1297250633.db2.gz AKQMSRSROJDTNB-UHFFFAOYSA-N 1 0 343.383 3.414 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1C ZINC000884294963 1302798871 /nfs/dbraw/zinc/79/88/71/1302798871.db2.gz NBCJCGNEJKBOHD-CVEARBPZSA-N 1 0 345.443 3.063 20 5 EGBDRO C[C@H]1CCCC[N@@H+]1CCCNC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000007370127 1291070062 /nfs/dbraw/zinc/07/00/62/1291070062.db2.gz PYRZKRKDMFWEQY-ZDUSSCGKSA-N 1 0 336.461 3.146 20 5 EGBDRO CO[C@@H]1CCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Br ZINC000050373110 1291645211 /nfs/dbraw/zinc/64/52/11/1291645211.db2.gz MDOIKXKEOTXXPS-CHWSQXEVSA-N 1 0 329.194 3.014 20 5 EGBDRO COC[C@H]([NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1)C(C)C ZINC000086698104 1292735965 /nfs/dbraw/zinc/73/59/65/1292735965.db2.gz NWQBGJIDPOSZGS-LBPRGKRZSA-N 1 0 331.210 3.118 20 5 EGBDRO CC(C)(C)OC(=O)N1CCCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000103762816 1293013932 /nfs/dbraw/zinc/01/39/32/1293013932.db2.gz ZBYKPGPLMMXDHV-UHFFFAOYSA-N 1 0 335.404 3.038 20 5 EGBDRO CCC[C@H]1CCC[N@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000121379287 1293368772 /nfs/dbraw/zinc/36/87/72/1293368772.db2.gz FYHQRPAYBMYUDI-AWEZNQCLSA-N 1 0 329.404 3.323 20 5 EGBDRO CCC[C@@H]1CCC[N@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000121379115 1293369104 /nfs/dbraw/zinc/36/91/04/1293369104.db2.gz FYHQRPAYBMYUDI-CQSZACIVSA-N 1 0 329.404 3.323 20 5 EGBDRO COC(=O)[C@@H](C)C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C1CC1 ZINC000153739369 1294026690 /nfs/dbraw/zinc/02/66/90/1294026690.db2.gz VFKXOQYADXGGCU-JTQLQIEISA-N 1 0 326.780 3.022 20 5 EGBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000173920391 1294473373 /nfs/dbraw/zinc/47/33/73/1294473373.db2.gz ZHLOTKWJPMCZHO-OAHLLOKOSA-N 1 0 335.404 3.036 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]C[C@H](C)NC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000190002728 1295557039 /nfs/dbraw/zinc/55/70/39/1295557039.db2.gz AVRQIYVKBRMYBC-STQMWFEESA-N 1 0 337.420 3.467 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](C)NC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000190002691 1295557406 /nfs/dbraw/zinc/55/74/06/1295557406.db2.gz AVRQIYVKBRMYBC-OLZOCXBDSA-N 1 0 337.420 3.467 20 5 EGBDRO CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000870989197 1296165521 /nfs/dbraw/zinc/16/55/21/1296165521.db2.gz AFVQLSBDIPHFRC-MRXNPFEDSA-N 1 0 339.823 3.085 20 5 EGBDRO C[C@@H](O)C[C@H]1CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1Br ZINC000235221190 1296182442 /nfs/dbraw/zinc/18/24/42/1296182442.db2.gz AWQXKYBBTKXPDR-ZYHUDNBSSA-N 1 0 343.221 3.093 20 5 EGBDRO Cc1cc(NCC[C@@H]2CC[NH2+]C2)c(Br)cc1[N+](=O)[O-] ZINC000235884441 1296186381 /nfs/dbraw/zinc/18/63/81/1296186381.db2.gz KBDITPDKEVFBNK-JTQLQIEISA-N 1 0 328.210 3.077 20 5 EGBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000245971899 1296333335 /nfs/dbraw/zinc/33/33/35/1296333335.db2.gz WLYJYHWWWDFLES-VXGBXAGGSA-N 1 0 339.823 3.098 20 5 EGBDRO O=[N+]([O-])c1ccc(F)cc1CN1CC[NH2+]C[C@H]1c1cccc(F)c1 ZINC000262271255 1296624843 /nfs/dbraw/zinc/62/48/43/1296624843.db2.gz SOBNNIXFJKORPC-KRWDZBQOSA-N 1 0 333.338 3.020 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCN(Cc3ccccc3)C2)cc1 ZINC000309887893 1297078567 /nfs/dbraw/zinc/07/85/67/1297078567.db2.gz RXSZEMVWWKBXSW-SFHVURJKSA-N 1 0 325.412 3.001 20 5 EGBDRO C[C@H]([NH2+]C1CC(NC(=O)OC(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000310021260 1297083701 /nfs/dbraw/zinc/08/37/01/1297083701.db2.gz FYMOEVHBQPVTNV-XGNXJENSSA-N 1 0 335.404 3.301 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)CNC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000310056288 1297085591 /nfs/dbraw/zinc/08/55/91/1297085591.db2.gz KMZNSIQUKDPWIC-CHWSQXEVSA-N 1 0 337.420 3.467 20 5 EGBDRO CC[C@@H](C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)NC(=O)OC(C)(C)C ZINC000310057044 1297087847 /nfs/dbraw/zinc/08/78/47/1297087847.db2.gz ONWVYYYVMDHELP-AWEZNQCLSA-N 1 0 337.420 3.296 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCC(=O)NC1CCCCC1 ZINC000873023096 1297230325 /nfs/dbraw/zinc/23/03/25/1297230325.db2.gz XAGZVXFCRXSOIR-UHFFFAOYSA-N 1 0 333.432 3.140 20 5 EGBDRO Cc1c(C[NH2+]Cc2ccc(OCC3CC3)nc2)cccc1[N+](=O)[O-] ZINC000873031549 1297236056 /nfs/dbraw/zinc/23/60/56/1297236056.db2.gz VCXWEXZNPJGNNF-UHFFFAOYSA-N 1 0 327.384 3.377 20 5 EGBDRO O=C(c1cc2ccccc2c2cccnc12)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000424031128 1297802041 /nfs/dbraw/zinc/80/20/41/1297802041.db2.gz SCMXJMVEPFDCEU-OAQYLSRUSA-N 1 0 331.419 3.356 20 5 EGBDRO CC(C)[C@H](C(=O)OCc1cc(Cl)ccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000746076832 1298526629 /nfs/dbraw/zinc/52/66/29/1298526629.db2.gz RCORFSGSVCRESY-OAHLLOKOSA-N 1 0 340.807 3.412 20 5 EGBDRO Cc1nn(C[N@H+]2CC[C@H](Cc3ccccc3)[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000747467694 1298786382 /nfs/dbraw/zinc/78/63/82/1298786382.db2.gz LPBYXHSIJZSICK-RHSMWYFYSA-N 1 0 328.416 3.319 20 5 EGBDRO C[N@@H+]1CCCC[C@@H]1CCOC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000747575812 1298803805 /nfs/dbraw/zinc/80/38/05/1298803805.db2.gz NTNMSMGTWLKPPU-GFCCVEGCSA-N 1 0 326.780 3.279 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](C)[C@H]1CCCc2c1cnn2C ZINC000876791034 1298990580 /nfs/dbraw/zinc/99/05/80/1298990580.db2.gz CUJJOEGYHMOBLQ-KRWDZBQOSA-N 1 0 328.416 3.455 20 5 EGBDRO C[NH+]1CCN(c2ccccc2NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000876833643 1299022829 /nfs/dbraw/zinc/02/28/29/1299022829.db2.gz JFOOFJYSBVTNKH-UHFFFAOYSA-N 1 0 340.427 3.001 20 5 EGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@H](O)c2ccc(F)c(F)c2)c1 ZINC000748815496 1299084623 /nfs/dbraw/zinc/08/46/23/1299084623.db2.gz JZMKXCBJZCPVHC-HNNXBMFYSA-N 1 0 342.729 3.350 20 5 EGBDRO CC(C)Oc1cccc([C@H](O)C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000877037226 1299124794 /nfs/dbraw/zinc/12/47/94/1299124794.db2.gz YAZUIEPISCMDDW-LJQANCHMSA-N 1 0 344.411 3.248 20 5 EGBDRO CC[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1OC ZINC000749669361 1299253606 /nfs/dbraw/zinc/25/36/06/1299253606.db2.gz DDPSLTWBMPLWOM-SJORKVTESA-N 1 0 330.384 3.378 20 5 EGBDRO Cc1nn(C[N@H+]2CCC[C@@H](C(C)C)CC2)c2ncc([N+](=O)[O-])cc12 ZINC000749954979 1299313854 /nfs/dbraw/zinc/31/38/54/1299313854.db2.gz QLXYFQFQKASDSC-CQSZACIVSA-N 1 0 331.420 3.364 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@H+](CCc2ccccc2)C2CC2)c1 ZINC000750034205 1299326986 /nfs/dbraw/zinc/32/69/86/1299326986.db2.gz BQRSCKJOEFHFBW-LJQANCHMSA-N 1 0 326.396 3.335 20 5 EGBDRO CC(C)(O)C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C1CCOCC1 ZINC000750047048 1299328436 /nfs/dbraw/zinc/32/84/36/1299328436.db2.gz GYNKGWDZLVQMNG-UHFFFAOYSA-N 1 0 342.823 3.000 20 5 EGBDRO C[C@H]1c2ccc(F)cc2CC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750080135 1299335928 /nfs/dbraw/zinc/33/59/28/1299335928.db2.gz HZFUFRWQWRRACH-SGTLLEGYSA-N 1 0 330.359 3.387 20 5 EGBDRO Cc1cccc(C(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)c1[N+](=O)[O-] ZINC000750587530 1299431519 /nfs/dbraw/zinc/43/15/19/1299431519.db2.gz NGYFPBAAXQUODM-UHFFFAOYSA-N 1 0 341.411 3.237 20 5 EGBDRO Cc1ccc([C@H](C)NC(=O)NC[C@H](C)[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000752894475 1299812803 /nfs/dbraw/zinc/81/28/03/1299812803.db2.gz XZJMYXUTCCBIGS-GJZGRUSLSA-N 1 0 348.447 3.138 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]CCCS(=O)(=O)C(C)(C)C)cc1[N+](=O)[O-] ZINC000878371027 1299952289 /nfs/dbraw/zinc/95/22/89/1299952289.db2.gz FRJKCEWIIYNMHJ-ZDUSSCGKSA-N 1 0 342.461 3.157 20 5 EGBDRO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1ccnc(N(C)C)c1 ZINC000754016346 1300065612 /nfs/dbraw/zinc/06/56/12/1300065612.db2.gz CAINZPZLQWTATQ-UHFFFAOYSA-N 1 0 328.416 3.466 20 5 EGBDRO C[C@@H](CNC(=O)OC(C)(C)C)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000756121516 1300442641 /nfs/dbraw/zinc/44/26/41/1300442641.db2.gz LQFGUDLUPKRDCX-JTQLQIEISA-N 1 0 343.811 3.251 20 5 EGBDRO Cc1nn(CN(C)[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000758262261 1300836696 /nfs/dbraw/zinc/83/66/96/1300836696.db2.gz CEHZUHMWXWWLFH-DOTOQJQBSA-N 1 0 348.378 3.048 20 5 EGBDRO C[C@H]([NH2+]CCOC(=O)Cc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000880092050 1300923079 /nfs/dbraw/zinc/92/30/79/1300923079.db2.gz TUEXVGAGQALYPB-AWEZNQCLSA-N 1 0 328.368 3.031 20 5 EGBDRO Cc1nn(C[N@@H+]2CCCC3(CCOCC3)C2)c2cc([N+](=O)[O-])ccc12 ZINC000761294154 1301438249 /nfs/dbraw/zinc/43/82/49/1301438249.db2.gz YZVZAJWVWOBWQE-UHFFFAOYSA-N 1 0 344.415 3.103 20 5 EGBDRO C[C@@H](C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)N1CCCCC1 ZINC000765256589 1302230845 /nfs/dbraw/zinc/23/08/45/1302230845.db2.gz UQIBRQYGXNBMMY-MAUKXSAKSA-N 1 0 331.460 3.380 20 5 EGBDRO C[C@H](C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)N1CCCCC1 ZINC000765256587 1302231669 /nfs/dbraw/zinc/23/16/69/1302231669.db2.gz UQIBRQYGXNBMMY-CRAIPNDOSA-N 1 0 331.460 3.380 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)COc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000765289703 1302239537 /nfs/dbraw/zinc/23/95/37/1302239537.db2.gz NAHTWHGYRLCHGE-CJNGLKHVSA-N 1 0 348.374 3.133 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCc3ccc(O)cc3)CC2)cc1 ZINC000765351397 1302252089 /nfs/dbraw/zinc/25/20/89/1302252089.db2.gz RJNISVFDHWNPPU-UHFFFAOYSA-N 1 0 341.411 3.102 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@H]2CCCOc3ccc(F)cc32)cc1 ZINC000765845710 1302338239 /nfs/dbraw/zinc/33/82/39/1302338239.db2.gz SVYMDFRLDOUZCM-IRXDYDNUSA-N 1 0 346.358 3.271 20 5 EGBDRO COc1ccc(CC[C@@H](C)[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000765845619 1302338975 /nfs/dbraw/zinc/33/89/75/1302338975.db2.gz RHHCODKKFPZIJN-KUHUBIRLSA-N 1 0 344.411 3.248 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@H]2COc3ccc(Cl)cc32)cc1 ZINC000765848169 1302339336 /nfs/dbraw/zinc/33/93/36/1302339336.db2.gz GSJSUZRATSHBSY-GJZGRUSLSA-N 1 0 334.759 3.005 20 5 EGBDRO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCCNC(=O)OC(C)(C)C ZINC000769464175 1303118087 /nfs/dbraw/zinc/11/80/87/1303118087.db2.gz VKMWCWXGMIDJKG-YFHOEESVSA-N 1 0 349.431 3.455 20 5 EGBDRO Cc1ccc(C[NH+]2CCC(N(C)CC(F)F)CC2)cc1[N+](=O)[O-] ZINC000769508952 1303131683 /nfs/dbraw/zinc/13/16/83/1303131683.db2.gz GJMSZGKSCCKAIY-UHFFFAOYSA-N 1 0 327.375 3.065 20 5 EGBDRO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000886035406 1303328359 /nfs/dbraw/zinc/32/83/59/1303328359.db2.gz MCTMTXZPRYTPGL-KBPBESRZSA-N 1 0 333.413 3.139 20 5 EGBDRO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000886035408 1303328962 /nfs/dbraw/zinc/32/89/62/1303328962.db2.gz MCTMTXZPRYTPGL-KGLIPLIRSA-N 1 0 333.413 3.139 20 5 EGBDRO O=[N+]([O-])c1ncccc1C[NH+]1CCC(c2c[nH]c3ncccc23)CC1 ZINC000886066827 1303344834 /nfs/dbraw/zinc/34/48/34/1303344834.db2.gz DBXMHGQOFNOFDA-UHFFFAOYSA-N 1 0 337.383 3.246 20 5 EGBDRO O=[N+]([O-])c1ncccc1CN1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000886083398 1303349954 /nfs/dbraw/zinc/34/99/54/1303349954.db2.gz JGXXBUPDYOFMRX-CYBMUJFWSA-N 1 0 333.775 3.297 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886941265 1303638327 /nfs/dbraw/zinc/63/83/27/1303638327.db2.gz BDDMGYNFJVNSFO-GOSISDBHSA-N 1 0 346.431 3.209 20 5 EGBDRO CC1(C)CCC[N@H+](CCNC(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000774575910 1303829484 /nfs/dbraw/zinc/82/94/84/1303829484.db2.gz MCMIYVVNLIUFBH-UHFFFAOYSA-N 1 0 339.823 3.100 20 5 EGBDRO C[C@@H]1CCCC[N@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000775731933 1304024349 /nfs/dbraw/zinc/02/43/49/1304024349.db2.gz LSHWVJWKCLKRLS-LLVKDONJSA-N 1 0 325.796 3.309 20 5 EGBDRO CC(C)C([NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C(C)C ZINC000776028145 1304082927 /nfs/dbraw/zinc/08/29/27/1304082927.db2.gz MEEUQOJKJYTVCI-UHFFFAOYSA-N 1 0 327.812 3.457 20 5 EGBDRO CO[C@@H]1[C@H](C)[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1(C)C ZINC000776168657 1304106349 /nfs/dbraw/zinc/10/63/49/1304106349.db2.gz JOHAUNHFTHVTAP-JEBQAFNWSA-N 1 0 347.459 3.213 20 5 EGBDRO COc1ccc([C@@H]2CCC[N@@H+]2C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000776274012 1304125630 /nfs/dbraw/zinc/12/56/30/1304125630.db2.gz FZGOPGOJPHIOCF-RBUKOAKNSA-N 1 0 342.395 3.474 20 5 EGBDRO Cc1cc(NC[C@@H]2CC2(Cl)Cl)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000782944805 1305026399 /nfs/dbraw/zinc/02/63/99/1305026399.db2.gz KXFNPVSATIAQRM-VIFPVBQESA-N 1 0 326.183 3.479 20 5 EGBDRO CCOC(=O)CC[N@@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)CC1CC1 ZINC000783548134 1305105508 /nfs/dbraw/zinc/10/55/08/1305105508.db2.gz ANWPQPYNUFHGAB-UHFFFAOYSA-N 1 0 340.807 3.413 20 5 EGBDRO Cn1cc(C[C@@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])c(Cl)c3)C2)cn1 ZINC000783571864 1305109909 /nfs/dbraw/zinc/10/99/09/1305109909.db2.gz UKKAARCMECYZHV-ZDUSSCGKSA-N 1 0 334.807 3.046 20 5 EGBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000783633672 1305120943 /nfs/dbraw/zinc/12/09/43/1305120943.db2.gz RWTLBTDPOHETRM-UHFFFAOYSA-N 1 0 337.807 3.370 20 5 EGBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@H](O)C(F)(F)F ZINC000783653287 1305123127 /nfs/dbraw/zinc/12/31/27/1305123127.db2.gz ZVGMXLYKLWDBCZ-ONGXEEELSA-N 1 0 326.702 3.040 20 5 EGBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)[C@@]12CCCO2 ZINC000783674639 1305126211 /nfs/dbraw/zinc/12/62/11/1305126211.db2.gz ZUSLTEMHCFXIKT-OAGGEKHMSA-N 1 0 340.807 3.064 20 5 EGBDRO C[C@H]1CCC[N@@H+]1CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000783923343 1305163722 /nfs/dbraw/zinc/16/37/22/1305163722.db2.gz YVHZWFGYQLCAKN-NSHDSACASA-N 1 0 333.413 3.024 20 5 EGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@@H](O)CCc1ccccc1 ZINC000784679645 1305271947 /nfs/dbraw/zinc/27/19/47/1305271947.db2.gz KFKZXKRAFOALAA-INIZCTEOSA-N 1 0 334.803 3.332 20 5 EGBDRO O=C(OCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000786890951 1305650813 /nfs/dbraw/zinc/65/08/13/1305650813.db2.gz MURUJBXJYQFYTF-QGZVFWFLSA-N 1 0 332.400 3.088 20 5 EGBDRO C[C@@H](NCCC[N@H+](C)C1CCCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788509465 1305958896 /nfs/dbraw/zinc/95/88/96/1305958896.db2.gz YEWPVTPKNHELSX-CQSZACIVSA-N 1 0 334.464 3.482 20 5 EGBDRO COc1ccc(OCCC[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000788563710 1305972225 /nfs/dbraw/zinc/97/22/25/1305972225.db2.gz QZUVMGGQWCNTSA-CYBMUJFWSA-N 1 0 345.399 3.305 20 5 EGBDRO COc1cccc(OCCC[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000788664811 1305992359 /nfs/dbraw/zinc/99/23/59/1305992359.db2.gz LAEZJIYIVCHIRK-ZDUSSCGKSA-N 1 0 345.399 3.305 20 5 EGBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])[C@@H]1OC ZINC000811491114 1318185452 /nfs/dbraw/zinc/18/54/52/1318185452.db2.gz ZOGFRLXCAFUGSX-BZPMIXESSA-N 1 0 349.214 3.184 20 5 EGBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)CC[N@@H+](C)C1CCCCC1)CC2 ZINC000791138871 1308928034 /nfs/dbraw/zinc/92/80/34/1308928034.db2.gz MBPIAGLQQNWSNG-UHFFFAOYSA-N 1 0 345.443 3.447 20 5 EGBDRO Cc1ccc(C2=NO[C@@H](C[NH2+]Cc3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000895495221 1309370229 /nfs/dbraw/zinc/37/02/29/1309370229.db2.gz OUWQZDXRIRXVAV-QGZVFWFLSA-N 1 0 325.368 3.186 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)c1C ZINC000895937839 1309600741 /nfs/dbraw/zinc/60/07/41/1309600741.db2.gz SSNVABVXLKFLFW-AWEZNQCLSA-N 1 0 333.432 3.062 20 5 EGBDRO C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](CC(N)=O)c1ccccc1 ZINC000796532657 1310022594 /nfs/dbraw/zinc/02/25/94/1310022594.db2.gz QHWDDBPLBYTWOW-HNNXBMFYSA-N 1 0 347.802 3.297 20 5 EGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CCO)Cc1ccccc1 ZINC000799731029 1310607268 /nfs/dbraw/zinc/60/72/68/1310607268.db2.gz KVJOWSLYXMZFFQ-APWZRJJASA-N 1 0 342.439 3.499 20 5 EGBDRO COc1ccc(-c2ccc(C[NH2+]CC[C@H](O)C3CC3)o2)c([N+](=O)[O-])c1 ZINC000898207040 1310627980 /nfs/dbraw/zinc/62/79/80/1310627980.db2.gz YYFKMRBBVRCXSA-KRWDZBQOSA-N 1 0 346.383 3.114 20 5 EGBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)OCCC[NH+]1CCCCC1 ZINC000800124340 1310676192 /nfs/dbraw/zinc/67/61/92/1310676192.db2.gz DNTZQHVOXFMFDH-UHFFFAOYSA-N 1 0 338.429 3.106 20 5 EGBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)OCCC[NH+]1CCCC1 ZINC000800202465 1310700650 /nfs/dbraw/zinc/70/06/50/1310700650.db2.gz XSNXFDJQIMIZOK-MRXNPFEDSA-N 1 0 334.416 3.193 20 5 EGBDRO O=C(Nc1nccc2c1cccc2[N+](=O)[O-])[C@H]1CCN1C1CCCC1 ZINC000898462135 1310744776 /nfs/dbraw/zinc/74/47/76/1310744776.db2.gz MKYIPVMSRMIHJS-MRXNPFEDSA-N 1 0 340.383 3.098 20 5 EGBDRO COC(=O)C1CCC([NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000898610850 1310803060 /nfs/dbraw/zinc/80/30/60/1310803060.db2.gz FMUHLPKQBMUZDC-JEYLPNPQSA-N 1 0 334.416 3.237 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](O)c1cc(C)cc(C)c1 ZINC000800898050 1310831183 /nfs/dbraw/zinc/83/11/83/1310831183.db2.gz QJNIDNDFIIFDOF-SFHVURJKSA-N 1 0 344.411 3.434 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH+]2C[C@H]3CN(c4ccccc4)C[C@@H]3C2)cc1F ZINC000801512621 1310951523 /nfs/dbraw/zinc/95/15/23/1310951523.db2.gz KVLVQJHDPWLMHB-HOTGVXAUSA-N 1 0 341.386 3.302 20 5 EGBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000804360993 1317222749 /nfs/dbraw/zinc/22/27/49/1317222749.db2.gz WMWSAZKHTLHHLT-UHFFFAOYSA-N 1 0 333.432 3.354 20 5 EGBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C1(NC(=O)OC(C)(C)C)CC1 ZINC000903114063 1317656429 /nfs/dbraw/zinc/65/64/29/1317656429.db2.gz STBSXSYYWBPWKH-LBPRGKRZSA-N 1 0 335.404 3.130 20 5 EGBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H](O)c2ccc(C(F)(F)F)cc2)cs1 ZINC000808426007 1317675160 /nfs/dbraw/zinc/67/51/60/1317675160.db2.gz JLQAZVWHBLMPLV-GFCCVEGCSA-N 1 0 346.330 3.498 20 5 EGBDRO Cc1nc2ccccn2c1C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000903422484 1317699214 /nfs/dbraw/zinc/69/92/14/1317699214.db2.gz MQWQITBOFHHJNO-LBPRGKRZSA-N 1 0 342.374 3.411 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1COc2ccccc2[C@H]1O ZINC000808729545 1317724343 /nfs/dbraw/zinc/72/43/43/1317724343.db2.gz LUXAVEWEPOQSRX-BJOOFOGMSA-N 1 0 328.368 3.048 20 5 EGBDRO CC1(C)C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)Cc2ccccc2O1 ZINC000808791038 1317734687 /nfs/dbraw/zinc/73/46/87/1317734687.db2.gz FTJDKYZCXLCGJM-KRWDZBQOSA-N 1 0 342.395 3.301 20 5 EGBDRO CC(C)[NH2+][C@H]1CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000809917658 1317918241 /nfs/dbraw/zinc/91/82/41/1317918241.db2.gz MJQMNIPYVZQIMH-NSHDSACASA-N 1 0 340.811 3.243 20 5 EGBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809970124 1317927366 /nfs/dbraw/zinc/92/73/66/1317927366.db2.gz ODAGNZSQDFSRIW-VHSXEESVSA-N 1 0 332.231 3.426 20 5 EGBDRO CCO[C@H]1COCC[C@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809980178 1317929767 /nfs/dbraw/zinc/92/97/67/1317929767.db2.gz IJSHKTBYQUTZOF-OLZOCXBDSA-N 1 0 349.214 3.185 20 5 EGBDRO COCC[C@@]1([NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCOC1 ZINC000809990831 1317932380 /nfs/dbraw/zinc/93/23/80/1317932380.db2.gz IXYDFSMLTPROAO-CQSZACIVSA-N 1 0 349.214 3.187 20 5 EGBDRO O=[N+]([O-])CC[NH2+]CC1(c2ccc(Br)cc2Cl)CC1 ZINC000905266254 1317942682 /nfs/dbraw/zinc/94/26/82/1317942682.db2.gz CMYUCIFBGMAJLO-UHFFFAOYSA-N 1 0 333.613 3.000 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCC2CCC(F)(F)CC2)c1 ZINC000905679759 1317980753 /nfs/dbraw/zinc/98/07/53/1317980753.db2.gz SLCZIBNSBXIXIW-OAHLLOKOSA-N 1 0 328.359 3.433 20 5 EGBDRO C[N@@H+]1CCC[C@H](CNCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000811480285 1318182405 /nfs/dbraw/zinc/18/24/05/1318182405.db2.gz SMJSAXXUUKKQLX-SNVBAGLBSA-N 1 0 332.231 3.333 20 5 EGBDRO COc1cccc([C@H](C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)OC)c1 ZINC000858443770 1328763129 /nfs/dbraw/zinc/76/31/29/1328763129.db2.gz WZJYQEYTGXRUIA-SGTLLEGYSA-N 1 0 345.399 3.224 20 5 EGBDRO C[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1Cl)[N@@H+]1CCCC[C@@H]1C ZINC000858478611 1328773940 /nfs/dbraw/zinc/77/39/40/1328773940.db2.gz VVOHJYAVAMVRSJ-RYUDHWBXSA-N 1 0 339.823 3.241 20 5 EGBDRO Cc1ccc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)s1 ZINC001021783721 1318681036 /nfs/dbraw/zinc/68/10/36/1318681036.db2.gz VRWVWAIENHBAPR-OKILXGFUSA-N 1 0 345.424 3.015 20 5 EGBDRO C[C@@H]([NH2+]C[C@@H](C)N(C)c1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815559844 1319016254 /nfs/dbraw/zinc/01/62/54/1319016254.db2.gz RCMCHWGLWWZGSA-ZIAGYGMSSA-N 1 0 328.416 3.353 20 5 EGBDRO COc1cccc(O[C@H](C)C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000815584065 1319020656 /nfs/dbraw/zinc/02/06/56/1319020656.db2.gz UWDDNQBJQRSFHH-OLZOCXBDSA-N 1 0 345.399 3.304 20 5 EGBDRO Cc1cccn2cc(CC[NH2+][C@H](C)c3ccc(N)c([N+](=O)[O-])c3)nc12 ZINC000815585385 1319022002 /nfs/dbraw/zinc/02/20/02/1319022002.db2.gz GJFALOINVLLHJO-CYBMUJFWSA-N 1 0 339.399 3.026 20 5 EGBDRO O=[N+]([O-])c1nn(CN2CC[C@@H](C3CCCC3)C2)cc1Br ZINC000817368418 1319343160 /nfs/dbraw/zinc/34/31/60/1319343160.db2.gz IDIJSNAZJZFJRM-LLVKDONJSA-N 1 0 343.225 3.023 20 5 EGBDRO CC(C)Oc1cccc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000818964899 1319595744 /nfs/dbraw/zinc/59/57/44/1319595744.db2.gz KSBYWFFHVDXAKW-GOSISDBHSA-N 1 0 330.384 3.205 20 5 EGBDRO COc1ccccc1C(C)(C)C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818984611 1319604916 /nfs/dbraw/zinc/60/49/16/1319604916.db2.gz JFSZEKAQSDPZSQ-QGZVFWFLSA-N 1 0 344.411 3.204 20 5 EGBDRO Cc1ccc(NCCC[NH2+]C[C@H](O)c2ccccc2)c([N+](=O)[O-])c1 ZINC000819093749 1319633044 /nfs/dbraw/zinc/63/30/44/1319633044.db2.gz WJIIWNAZRIRWKE-SFHVURJKSA-N 1 0 329.400 3.028 20 5 EGBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]C[C@H](O)c2ccc(F)cc2)cc1 ZINC000819092160 1319633590 /nfs/dbraw/zinc/63/35/90/1319633590.db2.gz SSRYWVWRGQAZKV-SFHVURJKSA-N 1 0 332.375 3.380 20 5 EGBDRO CCO[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C12CCCCC2 ZINC000819103913 1319637195 /nfs/dbraw/zinc/63/71/95/1319637195.db2.gz MLCAHUNCPOJHIP-RCCFBDPRSA-N 1 0 348.443 3.346 20 5 EGBDRO O=[N+]([O-])c1ccccc1CC[NH2+]C[C@@H](O)c1ccc(F)cc1Cl ZINC000819111467 1319637762 /nfs/dbraw/zinc/63/77/62/1319637762.db2.gz PECYOGIWAANQPH-MRXNPFEDSA-N 1 0 338.766 3.253 20 5 EGBDRO CSc1cc(C)ccc1C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819148613 1319650166 /nfs/dbraw/zinc/65/01/66/1319650166.db2.gz BOUCEFCGIZKFJD-INIZCTEOSA-N 1 0 332.425 3.448 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2CCOC3(CCCCC3)C2)c1 ZINC000819174041 1319655970 /nfs/dbraw/zinc/65/59/70/1319655970.db2.gz OAZKXNKEMNIFRH-DOTOQJQBSA-N 1 0 334.416 3.100 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2CCCOc3cc(F)ccc32)c1 ZINC000819210776 1319669030 /nfs/dbraw/zinc/66/90/30/1319669030.db2.gz KSVVGPVZWWSMGO-IAGOWNOFSA-N 1 0 346.358 3.271 20 5 EGBDRO COc1cccc([C@H]2C[C@H]([NH2+]C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000819351929 1319706277 /nfs/dbraw/zinc/70/62/77/1319706277.db2.gz IAPMIQXRCJZHKQ-GPMSIDNRSA-N 1 0 342.395 3.173 20 5 EGBDRO CCCNc1ccc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000819387429 1319715135 /nfs/dbraw/zinc/71/51/35/1319715135.db2.gz LGIWXBGRQGNQEL-SFHVURJKSA-N 1 0 329.400 3.240 20 5 EGBDRO CCC[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000930450400 1328857655 /nfs/dbraw/zinc/85/76/55/1328857655.db2.gz GYMHOLDGQFSDAX-ZWKOTPCHSA-N 1 0 345.443 3.031 20 5 EGBDRO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000821455127 1320014360 /nfs/dbraw/zinc/01/43/60/1320014360.db2.gz NPBZMDWULBXUFL-FUHWJXTLSA-N 1 0 345.443 3.174 20 5 EGBDRO Cc1c(CC(=O)N2CCCC[C@H]2[C@H](C)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000823678327 1320197909 /nfs/dbraw/zinc/19/79/09/1320197909.db2.gz JQFPQAHFUMUSAW-PBHICJAKSA-N 1 0 347.459 3.025 20 5 EGBDRO C[C@@H](O)c1ncc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)s1 ZINC000824820774 1320288977 /nfs/dbraw/zinc/28/89/77/1320288977.db2.gz MMXJIARGYUJDEI-TZMCWYRMSA-N 1 0 347.440 3.484 20 5 EGBDRO O=[N+]([O-])c1ccc(CNc2ccc3c(c2)C[NH2+]CCO3)c(Cl)c1 ZINC000841083087 1321215996 /nfs/dbraw/zinc/21/59/96/1321215996.db2.gz QYVWXBLLWJDSJX-UHFFFAOYSA-N 1 0 333.775 3.342 20 5 EGBDRO CC[NH2+]CC1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000841233550 1321236853 /nfs/dbraw/zinc/23/68/53/1321236853.db2.gz XWBLGABUIKOEGE-UHFFFAOYSA-N 1 0 340.811 3.102 20 5 EGBDRO CCOC(=O)N1CC[C@@H]([NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000841753717 1321306422 /nfs/dbraw/zinc/30/64/22/1321306422.db2.gz VFXBIEZEFQQCMY-PBHICJAKSA-N 1 0 347.415 3.183 20 5 EGBDRO CC1CC[NH+](Cc2ccc(-c3noc([C@@H]4CC4[N+](=O)[O-])n3)cc2)CC1 ZINC000842489018 1321394911 /nfs/dbraw/zinc/39/49/11/1321394911.db2.gz WZDULVZEIWGNJA-HZPDHXFCSA-N 1 0 342.399 3.101 20 5 EGBDRO Cc1nn(C[N@@H+]2CC[C@@H](c3cccnc3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000842624944 1321409110 /nfs/dbraw/zinc/40/91/10/1321409110.db2.gz HCVMAROPEIXYGF-OAHLLOKOSA-N 1 0 337.383 3.095 20 5 EGBDRO CCC[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H](O)c1ccccc1 ZINC000843089722 1321468083 /nfs/dbraw/zinc/46/80/83/1321468083.db2.gz RSZMRTPYQCGOLJ-OTWHNJEPSA-N 1 0 344.411 3.120 20 5 EGBDRO C[NH2+][C@@H](CC(C)(C)C)c1nc(CCNc2ccccc2[N+](=O)[O-])no1 ZINC000843185398 1321483511 /nfs/dbraw/zinc/48/35/11/1321483511.db2.gz RWSNCUGFOXULDR-ZDUSSCGKSA-N 1 0 347.419 3.329 20 5 EGBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000843773835 1321546049 /nfs/dbraw/zinc/54/60/49/1321546049.db2.gz JXVWVNBHOGAIQV-UHFFFAOYSA-N 1 0 349.406 3.133 20 5 EGBDRO CC(C)(C)[N@@H+]1CC[C@H]1COC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000845738563 1321739626 /nfs/dbraw/zinc/73/96/26/1321739626.db2.gz FKOLEWYYFZFDOD-HNNXBMFYSA-N 1 0 334.416 3.288 20 5 EGBDRO C[C@@H]([NH2+][C@H]1CCC1(C)C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000846961461 1321828652 /nfs/dbraw/zinc/82/86/52/1321828652.db2.gz SKTRBDJZWLNJQA-RNCFNFMXSA-N 1 0 325.796 3.353 20 5 EGBDRO CC(C)OC(=O)C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)C(C)C ZINC000847072649 1321838816 /nfs/dbraw/zinc/83/88/16/1321838816.db2.gz BPQFSIAOOHEGRZ-AWEZNQCLSA-N 1 0 326.368 3.190 20 5 EGBDRO C[N@H+](CCC1CCOCC1)Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000848481430 1321964010 /nfs/dbraw/zinc/96/40/10/1321964010.db2.gz CWXXLQAOEQIPJM-UHFFFAOYSA-N 1 0 344.415 3.164 20 5 EGBDRO CC(C)[C@H]1C[N@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)CCCO1 ZINC000848488455 1321964446 /nfs/dbraw/zinc/96/44/46/1321964446.db2.gz FVEXDTHIPFDOJM-GOSISDBHSA-N 1 0 344.415 3.163 20 5 EGBDRO C[C@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])[C@@H](O)c1cccc(F)c1 ZINC000848533632 1321970891 /nfs/dbraw/zinc/97/08/91/1321970891.db2.gz MAETUTZFRNQENK-LIXBPZJASA-N 1 0 330.359 3.433 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H](O)c1cccc(F)c1 ZINC000850430288 1322247820 /nfs/dbraw/zinc/24/78/20/1322247820.db2.gz YGAPLCORXOQFDP-BDJLRTHQSA-N 1 0 334.347 3.127 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@](C)(O)c1ccsc1 ZINC000850437427 1322249570 /nfs/dbraw/zinc/24/95/70/1322249570.db2.gz PBNRXMIXZNYYGU-MEDUHNTESA-N 1 0 336.413 3.223 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000850447198 1322251286 /nfs/dbraw/zinc/25/12/86/1322251286.db2.gz FAYWJXQWBNHVHN-GFCCVEGCSA-N 1 0 345.355 3.405 20 5 EGBDRO CON(C)CC[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000850480594 1322255477 /nfs/dbraw/zinc/25/54/77/1322255477.db2.gz TZIUTSCQPYILKH-GFCCVEGCSA-N 1 0 335.429 3.467 20 5 EGBDRO COC[C@@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1cccc(OC)c1 ZINC000850514092 1322260022 /nfs/dbraw/zinc/26/00/22/1322260022.db2.gz LJAOBXWIOKVDNN-YVEFUNNKSA-N 1 0 345.399 3.224 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCCc3ccco3)CC2)cc1 ZINC000850569455 1322269872 /nfs/dbraw/zinc/26/98/72/1322269872.db2.gz FFPNQJFEWADJHF-UHFFFAOYSA-N 1 0 329.400 3.379 20 5 EGBDRO Cc1c(C[N@@H+]2CCC[C@](O)(c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000859584501 1329025805 /nfs/dbraw/zinc/02/58/05/1329025805.db2.gz UKIHCEUKCCUDOS-LJQANCHMSA-N 1 0 326.396 3.387 20 5 EGBDRO Cc1cc(C(F)(F)F)nn1CC[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000922426456 1322527230 /nfs/dbraw/zinc/52/72/30/1322527230.db2.gz KWUGNIVTVCQVFA-UHFFFAOYSA-N 1 0 342.321 3.217 20 5 EGBDRO C[N@@H+]1CCCC[C@H]1CCOC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000923400356 1322745612 /nfs/dbraw/zinc/74/56/12/1322745612.db2.gz AFRLPDSEGCRJLZ-ZDUSSCGKSA-N 1 0 338.429 3.105 20 5 EGBDRO C[N@H+](CCc1ccccc1)Cc1nc(-c2ccc([N+](=O)[O-])s2)no1 ZINC000924005370 1322870890 /nfs/dbraw/zinc/87/08/90/1322870890.db2.gz KXFCXDYBIRAMGF-UHFFFAOYSA-N 1 0 344.396 3.381 20 5 EGBDRO CC(C)[C@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])[C@H](O)C(F)(F)F ZINC000852034652 1323135897 /nfs/dbraw/zinc/13/58/97/1323135897.db2.gz CTLMHRKCGBFOFT-RYUDHWBXSA-N 1 0 340.729 3.286 20 5 EGBDRO COc1ccc(C[NH2+][C@H](C)C2(Br)CC2)cc1[N+](=O)[O-] ZINC000924843324 1323184452 /nfs/dbraw/zinc/18/44/52/1323184452.db2.gz ZBKMTMRFHDLTAN-SECBINFHSA-N 1 0 329.194 3.009 20 5 EGBDRO O=[N+]([O-])c1ccc(Cl)c(CNC[C@@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000853093284 1323277654 /nfs/dbraw/zinc/27/76/54/1323277654.db2.gz HTAUWSIIHYRSGF-AWEZNQCLSA-N 1 0 337.851 3.460 20 5 EGBDRO COc1cc(N2CCC[C@@H]([NH+]3CCCC3)CC2)c([N+](=O)[O-])cc1C ZINC000853360374 1325085440 /nfs/dbraw/zinc/08/54/40/1325085440.db2.gz CVZVWXBSEIHHEJ-OAHLLOKOSA-N 1 0 333.432 3.367 20 5 EGBDRO CS[C@H]1CN(c2ccc(C(F)F)cc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000853460797 1325096094 /nfs/dbraw/zinc/09/60/94/1325096094.db2.gz KHWOEBOSCOYQSS-STQMWFEESA-N 1 0 331.388 3.014 20 5 EGBDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000854314467 1325242711 /nfs/dbraw/zinc/24/27/11/1325242711.db2.gz NBYKZKINSBMAPO-NSHDSACASA-N 1 0 340.811 3.243 20 5 EGBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1c(F)c(C)cc([N+](=O)[O-])c1F ZINC000854534946 1325275707 /nfs/dbraw/zinc/27/57/07/1325275707.db2.gz WXCIBDQXCQHRKN-LLVKDONJSA-N 1 0 343.374 3.032 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCNc1ccc(C)cn1 ZINC000927071156 1327841842 /nfs/dbraw/zinc/84/18/42/1327841842.db2.gz PRGUQQSUXSEVST-CYBMUJFWSA-N 1 0 330.388 3.070 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H]2C[C@H]2c2ccc(F)cc2F)cc1 ZINC000863583727 1329564626 /nfs/dbraw/zinc/56/46/26/1329564626.db2.gz FLIHDXKSHWRZAE-UAGQMJEPSA-N 1 0 334.322 3.052 20 5 EGBDRO C[C@@H]([NH2+]CC(=O)N1CCC[C@H]2CCCC[C@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000932182239 1329791568 /nfs/dbraw/zinc/79/15/68/1329791568.db2.gz KCLCNYCBDMSYNZ-QGPMSJSTSA-N 1 0 345.443 3.427 20 5 EGBDRO C[C@H](COCC1CCCCC1)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000932420623 1329813398 /nfs/dbraw/zinc/81/33/98/1329813398.db2.gz CMHKMSKTUMADJV-KDOFPFPSSA-N 1 0 336.432 3.203 20 5 EGBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000933372145 1329884011 /nfs/dbraw/zinc/88/40/11/1329884011.db2.gz SWSTVSZJAGHXHW-OXXUSNJHSA-N 1 0 345.443 3.030 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C[NH+](C)C)ccn1 ZINC000934160623 1329950972 /nfs/dbraw/zinc/95/09/72/1329950972.db2.gz VRNOJWBQHBLXRP-UHFFFAOYSA-N 1 0 346.412 3.026 20 5 EGBDRO C[NH+]1CCC2(CCN(c3nccc4cc([N+](=O)[O-])ccc43)CC2)CC1 ZINC000866054631 1330060384 /nfs/dbraw/zinc/06/03/84/1330060384.db2.gz FNJKCFAERBEQBF-UHFFFAOYSA-N 1 0 340.427 3.455 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000935938264 1330096773 /nfs/dbraw/zinc/09/67/73/1330096773.db2.gz HWEIKXDXXYLWEV-OCCSQVGLSA-N 1 0 349.456 3.016 20 5 EGBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1SC ZINC000936058078 1330110917 /nfs/dbraw/zinc/11/09/17/1330110917.db2.gz ZVNFBDFDSBQLEG-GFCCVEGCSA-N 1 0 339.461 3.167 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3C[C@H]3C(F)(F)F)CC2)cc1 ZINC000866498806 1330118527 /nfs/dbraw/zinc/11/85/27/1330118527.db2.gz BBXJAVSRMUGITP-ZIAGYGMSSA-N 1 0 329.322 3.104 20 5 EGBDRO O=C(N[C@H]1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1)C1=CCCC1 ZINC001034622486 1342655038 /nfs/dbraw/zinc/65/50/38/1342655038.db2.gz PTWSBNQIVOLVGX-QAQDUYKDSA-N 1 0 343.427 3.222 20 5 EGBDRO CC(C)(C)C(=O)N1CC2(C1)CC[NH+](Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC001050736346 1348342091 /nfs/dbraw/zinc/34/20/91/1348342091.db2.gz AJHZVENUTBJBNB-UHFFFAOYSA-N 1 0 345.443 3.065 20 5 EGBDRO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC001324144620 1387547919 /nfs/dbraw/zinc/54/79/19/1387547919.db2.gz CPJJIEDSDPFTBJ-JQWIXIFHSA-N 1 0 340.811 3.243 20 5 EGBDRO CCC(=O)N1CCC(C(C)(C)C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001101496928 1364582187 /nfs/dbraw/zinc/58/21/87/1364582187.db2.gz JHNHXFSWABNTOP-UHFFFAOYSA-N 1 0 347.459 3.359 20 5 EGBDRO CC(C)CCC(=O)N1CCC([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC001199265235 1369200381 /nfs/dbraw/zinc/20/03/81/1369200381.db2.gz MEMAYNXZTXVXKQ-UHFFFAOYSA-N 1 0 339.461 3.173 20 5 EGBDRO CC/C=C(\C)C(=O)N1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001199576070 1369238653 /nfs/dbraw/zinc/23/86/53/1369238653.db2.gz FVIDOSVMCAIDBH-LHHJGKSTSA-N 1 0 331.416 3.032 20 5 EGBDRO CC1(CCC(=O)N2CCC([NH2+]Cc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC001203181731 1370013902 /nfs/dbraw/zinc/01/39/02/1370013902.db2.gz IXUIGZYRILCPTJ-UHFFFAOYSA-N 1 0 345.443 3.256 20 5 EGBDRO CC(C)C(=O)NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CCCCC1 ZINC001115411864 1370440842 /nfs/dbraw/zinc/44/08/42/1370440842.db2.gz AZKAVGCPTLRNCZ-UHFFFAOYSA-N 1 0 333.432 3.160 20 5 EGBDRO Cc1cncc([N+](=O)[O-])c1NCc1ccccc1C[N@@H+](C)C(C)C ZINC001116729559 1370963334 /nfs/dbraw/zinc/96/33/34/1370963334.db2.gz YDMUQYSBEGAOPS-UHFFFAOYSA-N 1 0 328.416 3.172 20 5 EGBDRO Cc1csc(CCC[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC001116751812 1370966918 /nfs/dbraw/zinc/96/69/18/1370966918.db2.gz WURJKTSBEVFQDW-ZIAGYGMSSA-N 1 0 349.460 3.262 20 5 EGBDRO Cc1cncc([N+](=O)[O-])c1NCC1CC[NH+](Cc2cccs2)CC1 ZINC001117284804 1371033447 /nfs/dbraw/zinc/03/34/47/1371033447.db2.gz IOUIHUYLOFQWCM-UHFFFAOYSA-N 1 0 346.456 3.106 20 5 EGBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C[NH+](C)C)c(C)c1 ZINC001117862720 1371103514 /nfs/dbraw/zinc/10/35/14/1371103514.db2.gz UBUBKPNNYYTERV-UHFFFAOYSA-N 1 0 342.399 3.259 20 5 EGBDRO O=[N+]([O-])c1cnc(NC2CC[NH+](CC3CC3)CC2)c2ccccc21 ZINC001119341589 1371317842 /nfs/dbraw/zinc/31/78/42/1371317842.db2.gz UOGJZMROOPBSHS-UHFFFAOYSA-N 1 0 326.400 3.429 20 5 EGBDRO Nc1ccc(Nc2ccc(OCC[NH+]3CCCC3)cc2)cc1[N+](=O)[O-] ZINC001209936587 1372236653 /nfs/dbraw/zinc/23/66/53/1372236653.db2.gz UBZIOVATAPXQEM-UHFFFAOYSA-N 1 0 342.399 3.395 20 5 EGBDRO C[NH+]1CCN(c2cccc(F)c2Nc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC001210955239 1372460723 /nfs/dbraw/zinc/46/07/23/1372460723.db2.gz YVOLPWQGIILFHB-UHFFFAOYSA-N 1 0 348.353 3.368 20 5 EGBDRO COC(=O)c1ncc(Nc2ccc3cc4ccc(N)cc4[nH+]c3c2)cn1 ZINC001211158643 1372491578 /nfs/dbraw/zinc/49/15/78/1372491578.db2.gz YIUNLIDJKIVXJC-UHFFFAOYSA-N 1 0 345.362 3.290 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC001211289681 1372521751 /nfs/dbraw/zinc/52/17/51/1372521751.db2.gz IELSXXKTKGAWIE-UHFFFAOYSA-N 1 0 340.427 3.394 20 5 EGBDRO C[NH+]1CCN(Cc2ccc(Nc3cc(F)cc([N+](=O)[O-])c3)cc2)CC1 ZINC001216483913 1373310381 /nfs/dbraw/zinc/31/03/81/1373310381.db2.gz SZJUQSWNBKLKEY-UHFFFAOYSA-N 1 0 344.390 3.225 20 5 EGBDRO CC1(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)CCCCCC1 ZINC001129646686 1373407513 /nfs/dbraw/zinc/40/75/13/1373407513.db2.gz BELLBQDIMISAPU-UHFFFAOYSA-N 1 0 333.432 3.161 20 5 EGBDRO Cc1cc(Br)cc([N+](=O)[O-])c1O[C@@H]1CCCC[NH2+]C1 ZINC001217974466 1373523244 /nfs/dbraw/zinc/52/32/44/1373523244.db2.gz NEFHPDVIEUUTEK-LLVKDONJSA-N 1 0 329.194 3.187 20 5 EGBDRO O=c1c2ccccc2oc2cc(O[C@H]3C[NH2+]CCC[C@H]3F)ccc12 ZINC001217978174 1373523978 /nfs/dbraw/zinc/52/39/78/1373523978.db2.gz ACSHKWZGHGJYOG-QAPCUYQASA-N 1 0 327.355 3.415 20 5 EGBDRO C[C@@H]1C[NH2+]CCC[C@H]1Oc1cnc2ccc(=O)n3c4ccccc4c1c23 ZINC001217992399 1373528659 /nfs/dbraw/zinc/52/86/59/1373528659.db2.gz AVNICIVYMQNKTI-CXAGYDPISA-N 1 0 347.418 3.206 20 5 EGBDRO C[C@H]1C[NH2+]CCC[C@@H]1Oc1cnc2ccc(=O)n3c4ccccc4c1c23 ZINC001217992402 1373529028 /nfs/dbraw/zinc/52/90/28/1373529028.db2.gz AVNICIVYMQNKTI-GUYCJALGSA-N 1 0 347.418 3.206 20 5 EGBDRO C[C@@H]1C[NH2+]CCC[C@H]1Oc1c2ccccc2c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001217992587 1373529286 /nfs/dbraw/zinc/52/92/86/1373529286.db2.gz SCBHOXIHTNFKMU-BDJLRTHQSA-N 1 0 345.355 3.423 20 5 EGBDRO Cc1cc(Br)c(O[C@H]2CCC[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC001217993682 1373529776 /nfs/dbraw/zinc/52/97/76/1373529776.db2.gz SCDZFBMCNNQRMR-GWCFXTLKSA-N 1 0 343.221 3.433 20 5 EGBDRO O=[N+]([O-])c1cc(O[C@H]2CC[C@@]23CC[NH2+]C3)c(F)cc1Br ZINC001218117812 1373564253 /nfs/dbraw/zinc/56/42/53/1373564253.db2.gz OLVZDFLXRRAARB-STQMWFEESA-N 1 0 345.168 3.017 20 5 EGBDRO Cc1cc(Br)c(O[C@@H]2CC[C@@]23CC[NH2+]C3)cc1[N+](=O)[O-] ZINC001218120055 1373564539 /nfs/dbraw/zinc/56/45/39/1373564539.db2.gz SESZAUSKIIYJNE-KGLIPLIRSA-N 1 0 341.205 3.187 20 5 EGBDRO O=[N+]([O-])c1cc(F)c(Br)c(O[C@H]2CC[C@]23CC[NH2+]C3)c1 ZINC001218126341 1373565500 /nfs/dbraw/zinc/56/55/00/1373565500.db2.gz ZMOFVOSEZHCBII-WCQYABFASA-N 1 0 345.168 3.017 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2cccc(O[C@@H]3CC[C@@H]4[NH2+]CCO[C@@H]34)c2)c1 ZINC001218128378 1373565816 /nfs/dbraw/zinc/56/58/16/1373565816.db2.gz LXQMGGGBLACDJK-IPMKNSEASA-N 1 0 340.379 3.160 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1ccc(O[C@@H]2CC[C@@H]3[NH2+]CCO[C@@H]23)cc1 ZINC001218128594 1373566221 /nfs/dbraw/zinc/56/62/21/1373566221.db2.gz ROVXJMOVPJMYFW-QXAKKESOSA-N 1 0 340.379 3.160 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1ccc(O[C@H]2C[NH2+][C@@H]3CCCO[C@@H]32)cc1 ZINC001218166175 1373572108 /nfs/dbraw/zinc/57/21/08/1373572108.db2.gz CKQJLLBHIAMPCQ-NEWSRXKRSA-N 1 0 340.379 3.160 20 5 EGBDRO CCC(C)(C)c1cc([N+](=O)[O-])c(O[C@@H](C)C2C[NH2+]C2)c([N+](=O)[O-])c1 ZINC001218199042 1373577184 /nfs/dbraw/zinc/57/71/84/1373577184.db2.gz YHXSKDHVQGNVOB-JTQLQIEISA-N 1 0 337.376 3.177 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2cccc(OC[C@H]3C[NH2+]CCCO3)c2)c1 ZINC001218302064 1373591724 /nfs/dbraw/zinc/59/17/24/1373591724.db2.gz MTLHAWRZLJVFTD-GOSISDBHSA-N 1 0 328.368 3.019 20 5 EGBDRO O=[N+]([O-])c1ccc(Br)cc1O[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC001218305440 1373592344 /nfs/dbraw/zinc/59/23/44/1373592344.db2.gz DNIVQTFNJPNCQU-LLVKDONJSA-N 1 0 341.205 3.411 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2ccc(OCCO[C@@H]3CC[NH2+]C3)cc2)c1 ZINC001218391905 1373605866 /nfs/dbraw/zinc/60/58/66/1373605866.db2.gz BMZINGSMKWVYFK-GOSISDBHSA-N 1 0 328.368 3.019 20 5 EGBDRO C[C@@H]1CC[C@H](Oc2cc(C(=O)OC(C)(C)C)ccc2[N+](=O)[O-])C[NH2+]1 ZINC001218403642 1373607983 /nfs/dbraw/zinc/60/79/83/1373607983.db2.gz XYKJQSWJWDKAQA-YPMHNXCESA-N 1 0 336.388 3.069 20 5 EGBDRO C[C@H]1CC[C@@H](Oc2ccc(C(=O)OC(C)(C)C)cc2[N+](=O)[O-])C[NH2+]1 ZINC001218401236 1373608353 /nfs/dbraw/zinc/60/83/53/1373608353.db2.gz CEQOKZNIMDXEOS-WCQYABFASA-N 1 0 336.388 3.069 20 5 EGBDRO CC(C)(C)c1cc([N+](=O)[O-])c(O[C@@H]2CC[C@H]3C[NH2+]C[C@H]32)c([N+](=O)[O-])c1 ZINC001218464332 1373619016 /nfs/dbraw/zinc/61/90/16/1373619016.db2.gz GPXBHRVMXLCOBH-JVLSTEMRSA-N 1 0 349.387 3.177 20 5 EGBDRO CC1(C)C[C@H](Oc2cc(Br)cc([N+](=O)[O-])c2)CC[NH2+]1 ZINC001218473380 1373620285 /nfs/dbraw/zinc/62/02/85/1373620285.db2.gz XVHTYWHBXRSABA-LLVKDONJSA-N 1 0 329.194 3.267 20 5 EGBDRO Cc1ccc(O[C@@H]2C[NH2+]Cc3ccccc32)c([N+](=O)[O-])c1[N+](=O)[O-] ZINC001218487064 1373623426 /nfs/dbraw/zinc/62/34/26/1373623426.db2.gz GIFPQVAYQJABTN-CQSZACIVSA-N 1 0 329.312 3.035 20 5 EGBDRO CC(C)(C)CC(=O)NCC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001222382218 1373830675 /nfs/dbraw/zinc/83/06/75/1373830675.db2.gz UMXSAMKMBPUMND-UHFFFAOYSA-N 1 0 347.459 3.359 20 5 EGBDRO Cc1ccnc(O[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC001226121450 1375206976 /nfs/dbraw/zinc/20/69/76/1375206976.db2.gz NMVIUCRMSAANIS-HOCLYGCPSA-N 1 0 327.384 3.198 20 5 EGBDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2Oc1cc([N+](=O)[O-])c(F)cc1Cl ZINC001226197959 1375219535 /nfs/dbraw/zinc/21/95/35/1375219535.db2.gz JOLDOCKYDPGICW-KEODLESXSA-N 1 0 328.771 3.496 20 5 EGBDRO COCC[NH+]1CCC(Oc2c(C)ccc([N+](=O)[O-])c2Cl)CC1 ZINC001226987684 1375377735 /nfs/dbraw/zinc/37/77/35/1375377735.db2.gz BUMUKNNBTKNPBF-UHFFFAOYSA-N 1 0 328.796 3.046 20 5 EGBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Oc1cnccc1[N+](=O)[O-] ZINC001228880945 1375705087 /nfs/dbraw/zinc/70/50/87/1375705087.db2.gz BEDSTUUELOUQSZ-WMLDXEAASA-N 1 0 327.384 3.279 20 5 EGBDRO C[C@H](C[N+](C)(C)C)Oc1ccccc1OCCOc1ccccc1O ZINC001229387215 1375825004 /nfs/dbraw/zinc/82/50/04/1375825004.db2.gz UANQMXBQZDEPQK-MRXNPFEDSA-O 1 0 346.447 3.324 20 5 EGBDRO Cc1c(C)c([N+](=O)[O-])ccc1O[C@H]1CC[C@@H]([NH+]2CCOCC2)CC1 ZINC001229880599 1375911046 /nfs/dbraw/zinc/91/10/46/1375911046.db2.gz HBSOQAIJMZBDIQ-IYBDPMFKSA-N 1 0 334.416 3.234 20 5 EGBDRO C[N@@H+]1CCC[C@H]2CN(Cc3ccc4ccc5cccnc5c4n3)C[C@@H]21 ZINC001232226811 1376419470 /nfs/dbraw/zinc/41/94/70/1376419470.db2.gz YNBNDPZMDQWAQR-HKUYNNGSSA-N 1 0 332.451 3.309 20 5 EGBDRO O=C(CC1CCCCCC1)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001134412070 1376515732 /nfs/dbraw/zinc/51/57/32/1376515732.db2.gz SOHNFSXEYNUFFY-UHFFFAOYSA-N 1 0 333.432 3.161 20 5 EGBDRO Cc1ccnc([N+](=O)[O-])c1O[C@H]1CCCN(Cc2ccccc2F)C1 ZINC001233553869 1376668592 /nfs/dbraw/zinc/66/85/92/1376668592.db2.gz NZZZIBUXTOIGKL-HNNXBMFYSA-N 1 0 345.374 3.481 20 5 EGBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(C2CC2)s1 ZINC001147733942 1379068499 /nfs/dbraw/zinc/06/84/99/1379068499.db2.gz XVHBYCGOVCQGAX-UHFFFAOYSA-N 1 0 345.424 3.053 20 5 EGBDRO CCC1(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])CCCCC1 ZINC001152054118 1379853196 /nfs/dbraw/zinc/85/31/96/1379853196.db2.gz QLTWPEYGDDMPFF-UHFFFAOYSA-N 1 0 333.432 3.161 20 5 EGBDRO Cc1cc(NC[C@]2(F)CCCC[NH2+]C2)nc2ccc([N+](=O)[O-])cc12 ZINC001155116429 1380411639 /nfs/dbraw/zinc/41/16/39/1380411639.db2.gz ZJIQDELVUGTQBV-KRWDZBQOSA-N 1 0 332.379 3.345 20 5 EGBDRO O=[N+]([O-])c1cc2ccccc2nc1N1CC[NH2+]C[C@@H]1c1cccs1 ZINC001156109474 1380526319 /nfs/dbraw/zinc/52/63/19/1380526319.db2.gz CFJLZQCDJHLTPW-OAHLLOKOSA-N 1 0 340.408 3.355 20 5 EGBDRO C[N@@H+]1CCC[C@@H](CCNc2nc(Cl)nc3ccc([N+](=O)[O-])cc32)C1 ZINC001156379498 1380567958 /nfs/dbraw/zinc/56/79/58/1380567958.db2.gz VPQWHTCGEKVKQS-NSHDSACASA-N 1 0 349.822 3.335 20 5 EGBDRO C[N@@H+]1CCC[C@@H]2CN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)C[C@@H]21 ZINC001157282589 1380833417 /nfs/dbraw/zinc/83/34/17/1380833417.db2.gz OHIAQCWTQBBDPQ-WBVHZDCISA-N 1 0 338.411 3.187 20 5 EGBDRO Cc1cc([N+](=O)[O-])cnc1-n1nc(C2CC[NH2+]CC2)c2ccccc21 ZINC001157376088 1380856738 /nfs/dbraw/zinc/85/67/38/1380856738.db2.gz LJDWKFVRIGCQRC-UHFFFAOYSA-N 1 0 337.383 3.104 20 5 EGBDRO CC1(Nc2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)nn2)CC[NH2+]CC1 ZINC001157406212 1380871574 /nfs/dbraw/zinc/87/15/74/1380871574.db2.gz ZMSJIEUWPBGQBZ-UHFFFAOYSA-N 1 0 347.806 3.259 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)c(Cl)nc1N1CCCC[C@]12CCC[NH2+]C2 ZINC001157469326 1380921110 /nfs/dbraw/zinc/92/11/10/1380921110.db2.gz ZEGINNJAZCJFIA-CQSZACIVSA-N 1 0 345.230 3.409 20 5 EGBDRO O=[N+]([O-])c1cc2ccccc2nc1N1CCCC[C@@]12CCC[NH2+]C2 ZINC001157473175 1380925231 /nfs/dbraw/zinc/92/52/31/1380925231.db2.gz SFZXAYYGCWTWIT-SFHVURJKSA-N 1 0 326.400 3.256 20 5 EGBDRO O=[N+]([O-])c1cccc2nc(N3CC[NH2+][C@H](c4ccccc4)C3)ccc21 ZINC001157759678 1381024594 /nfs/dbraw/zinc/02/45/94/1381024594.db2.gz UEPRGVPPMIBOSN-KRWDZBQOSA-N 1 0 334.379 3.294 20 5 EGBDRO CC(C)(C)CN(c1cnc2ccc([N+](=O)[O-])cc2n1)C1CC[NH2+]CC1 ZINC001157882626 1381058416 /nfs/dbraw/zinc/05/84/16/1381058416.db2.gz BFXGGEFEOFWFLE-UHFFFAOYSA-N 1 0 343.431 3.143 20 5 EGBDRO C[NH+](C)CC(C)(C)CNc1ccc(-c2ccc(F)c([N+](=O)[O-])c2)nn1 ZINC001157949002 1381078354 /nfs/dbraw/zinc/07/83/54/1381078354.db2.gz VNHZMKKMIDUFKH-UHFFFAOYSA-N 1 0 347.394 3.191 20 5 EGBDRO CC(C)CC(=O)NCCC1=CC[N@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001159111842 1381600030 /nfs/dbraw/zinc/60/00/30/1381600030.db2.gz YCPHZJPJCKONMQ-UHFFFAOYSA-N 1 0 345.443 3.279 20 5 EGBDRO O=[N+]([O-])c1cccc(Nc2cccnc2OC2CC[NH2+]CC2)c1F ZINC001159242497 1381741268 /nfs/dbraw/zinc/74/12/68/1381741268.db2.gz QWFDPEUNLNAGCP-UHFFFAOYSA-N 1 0 332.335 3.003 20 5 EGBDRO Cc1nc(N(CC[NH3+])C23CC4CC(CC(C4)C2)C3)ccc1[N+](=O)[O-] ZINC001159538501 1381821598 /nfs/dbraw/zinc/82/15/98/1381821598.db2.gz XQSGIPCOPJBTTF-UHFFFAOYSA-N 1 0 330.432 3.032 20 5 EGBDRO CC(C)CC1(C(=O)NCCC[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001159592560 1381839980 /nfs/dbraw/zinc/83/99/80/1381839980.db2.gz KXRRDCONQJQLBC-UHFFFAOYSA-N 1 0 333.432 3.017 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1Nc1ccc(OC2CC[NH2+]CC2)cc1 ZINC001159622309 1381851415 /nfs/dbraw/zinc/85/14/15/1381851415.db2.gz KACILBOZNJAPQC-UHFFFAOYSA-N 1 0 343.383 3.478 20 5 EGBDRO [NH3+][C@H]1CCc2c3ccccc3n(-c3ccc4[nH]cc([N+](=O)[O-])c4n3)c2C1 ZINC001159948899 1381946715 /nfs/dbraw/zinc/94/67/15/1381946715.db2.gz LMPHNZIXJHFPII-NSHDSACASA-N 1 0 347.378 3.231 20 5 EGBDRO Cc1ncc([N+](=O)[O-])cc1Nc1cccc(O[C@H]2CCC[NH2+]C2)c1 ZINC001160217090 1382037473 /nfs/dbraw/zinc/03/74/73/1382037473.db2.gz IGRSCQBQRUYLEM-INIZCTEOSA-N 1 0 328.372 3.173 20 5 EGBDRO O=[N+]([O-])c1ccc2ccnc(N[C@H]3CC[NH2+]C[C@@H]3C(F)(F)F)c2c1 ZINC001160745330 1382185070 /nfs/dbraw/zinc/18/50/70/1382185070.db2.gz WCDPGQVYQFWEFK-STQMWFEESA-N 1 0 340.305 3.095 20 5 EGBDRO CC(C)(C)C(=O)NCCC1=CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001161755037 1382496272 /nfs/dbraw/zinc/49/62/72/1382496272.db2.gz IHSDBNZFGIXAEY-UHFFFAOYSA-N 1 0 345.443 3.279 20 5 EGBDRO Cc1ccc2c(ccnc2N2C[C@H]([NH3+])Cc3ccccc32)c1[N+](=O)[O-] ZINC001162843072 1382892761 /nfs/dbraw/zinc/89/27/61/1382892761.db2.gz AXMRQKIDNYVCQY-CQSZACIVSA-N 1 0 334.379 3.473 20 5 EGBDRO CCOc1cc(NCC[C@@H]2C[NH2+]Cc3cccn3C2)ccc1[N+](=O)[O-] ZINC001163064440 1382958782 /nfs/dbraw/zinc/95/87/82/1382958782.db2.gz YAEKNYBLTOEWKJ-CQSZACIVSA-N 1 0 344.415 3.017 20 5 EGBDRO CC(C)[N@@H+]1CC[C@@H](Nc2cc(/C=C/N(C)C)c([N+](=O)[O-])cn2)[C@H](C)C1 ZINC001163367477 1383033434 /nfs/dbraw/zinc/03/34/34/1383033434.db2.gz ZIGAZBCHRLKWDG-UVMHCMFPSA-N 1 0 347.463 3.053 20 5 EGBDRO COc1nc(C)c(-n2c(C[NH3+])cc3cc(Cl)ccc32)cc1[N+](=O)[O-] ZINC001163898474 1383133976 /nfs/dbraw/zinc/13/39/76/1383133976.db2.gz PAIABXSCTUYMER-UHFFFAOYSA-N 1 0 346.774 3.363 20 5 EGBDRO C[C@H]1CC[C@@H](C[NH3+])N(c2nc3ccccc3c(Cl)c2[N+](=O)[O-])C1 ZINC001164069379 1383152876 /nfs/dbraw/zinc/15/28/76/1383152876.db2.gz JWXCSEQPBBEGLL-QWRGUYRKSA-N 1 0 334.807 3.360 20 5 EGBDRO CN1CCC(CNc2cc3ccccc3c([N+](=O)[O-])c2)([NH+](C)C)CC1 ZINC001164215596 1383167011 /nfs/dbraw/zinc/16/70/11/1383167011.db2.gz HDPOHGCPFZSNCX-UHFFFAOYSA-N 1 0 342.443 3.186 20 5 EGBDRO C[C@]1(C[NH3+])CCCN(c2nc(Cl)nc3ccc([N+](=O)[O-])cc32)CC1 ZINC001164242499 1383170337 /nfs/dbraw/zinc/17/03/37/1383170337.db2.gz MGJVTIBSZSLNMK-INIZCTEOSA-N 1 0 349.822 3.147 20 5 EGBDRO C[NH+](C)C[C@H]1CCCN1c1nc2ccccc2c(Cl)c1[N+](=O)[O-] ZINC001165074162 1383222471 /nfs/dbraw/zinc/22/24/71/1383222471.db2.gz YNTKCCHDWMSTLI-LLVKDONJSA-N 1 0 334.807 3.327 20 5 EGBDRO O=[N+]([O-])c1ccc2ccc(N3C[C@H]4c5ccccc5C[NH2+][C@@H]4C3)nc2c1 ZINC001165349831 1383279599 /nfs/dbraw/zinc/27/95/99/1383279599.db2.gz HLJWILYHXDYAGM-PKOBYXMFSA-N 1 0 346.390 3.219 20 5 EGBDRO O=[N+]([O-])c1cc(F)cnc1-n1c([C@H]2CCC[NH2+]2)cc2ccccc21 ZINC001166651216 1383453080 /nfs/dbraw/zinc/45/30/80/1383453080.db2.gz KJDUVLKGJCJKGZ-CYBMUJFWSA-N 1 0 326.331 3.497 20 5 EGBDRO CNc1cc([N+](=O)[O-])cnc1NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC001166890070 1383494510 /nfs/dbraw/zinc/49/45/10/1383494510.db2.gz WSSSIHSJBPWYBU-KRWDZBQOSA-N 1 0 341.415 3.281 20 5 EGBDRO CCC(C)(C)C(=O)NCCC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001166940315 1383502339 /nfs/dbraw/zinc/50/23/39/1383502339.db2.gz GTDKFGQRKUXMDJ-UHFFFAOYSA-N 1 0 347.459 3.407 20 5 EGBDRO CC(C)(C)CCC(=O)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001168789523 1384005076 /nfs/dbraw/zinc/00/50/76/1384005076.db2.gz VBMWGOLHSNBMQA-UHFFFAOYSA-N 1 0 327.450 3.079 20 5 EGBDRO [NH3+]CCN(c1cccnc1)c1nc(-c2ccccc2)ccc1[N+](=O)[O-] ZINC001168830369 1384023314 /nfs/dbraw/zinc/02/33/14/1384023314.db2.gz LHSYFTQCNKHXHG-UHFFFAOYSA-N 1 0 335.367 3.149 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2cccc(Br)c2F)C1 ZINC001168958955 1384070385 /nfs/dbraw/zinc/07/03/85/1384070385.db2.gz RJJIJFBWIVEYEE-ONGXEEELSA-N 1 0 331.185 3.123 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2cc(F)cc(Br)c2)C1 ZINC001168956373 1384070571 /nfs/dbraw/zinc/07/05/71/1384070571.db2.gz DSVQCVIDJQUERU-TVQRCGJNSA-N 1 0 331.185 3.123 20 5 EGBDRO Cc1ccc(CN2CCC([NH2+][C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)c(F)c1 ZINC001168990365 1384080053 /nfs/dbraw/zinc/08/00/53/1384080053.db2.gz CAVFXTPSPYOYCT-CRAIPNDOSA-N 1 0 349.450 3.134 20 5 EGBDRO Cc1cc(F)cc(CN2CCC([NH2+][C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)c1 ZINC001168992955 1384081383 /nfs/dbraw/zinc/08/13/83/1384081383.db2.gz LSOCDLVHHBRXGX-DNVCBOLYSA-N 1 0 349.450 3.134 20 5 EGBDRO C[N@H+](CCc1cccc(C(F)(F)F)n1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169009062 1384087599 /nfs/dbraw/zinc/08/75/99/1384087599.db2.gz UUAIJOZINIXBEU-AAEUAGOBSA-N 1 0 331.338 3.020 20 5 EGBDRO C[N@H+](Cc1cccc(Br)c1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169011676 1384088659 /nfs/dbraw/zinc/08/86/59/1384088659.db2.gz MBNAZZPNJFPXET-TZMCWYRMSA-N 1 0 327.222 3.326 20 5 EGBDRO CC[N@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001169039457 1384098278 /nfs/dbraw/zinc/09/82/78/1384098278.db2.gz PMRMOCKNNMAYIZ-QRVBRYPASA-N 1 0 331.460 3.028 20 5 EGBDRO COc1cccc(C[C@@H]2CCC[N@@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)c1 ZINC001169050008 1384100677 /nfs/dbraw/zinc/10/06/77/1384100677.db2.gz XVONBSVZIOXOTG-RCCFBDPRSA-N 1 0 332.444 3.395 20 5 EGBDRO CC1(C)C[C@H](Nc2ccc3c([N+](=O)[O-])c[nH]c3n2)C[C@@](C)(C[NH3+])C1 ZINC001169138595 1384112332 /nfs/dbraw/zinc/11/23/32/1384112332.db2.gz QYQMGVSPGAHOSI-APPDUMDISA-N 1 0 331.420 3.427 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(N2CCC[C@@H]([NH3+])c3cc(C)ccc32)n1 ZINC001169682317 1384173243 /nfs/dbraw/zinc/17/32/43/1384173243.db2.gz BCJUSODBOLTAKC-CYBMUJFWSA-N 1 0 328.372 3.239 20 5 EGBDRO Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1c[n+]([O-])c(Cl)cc1[N+](=O)[O-] ZINC001169683393 1384173349 /nfs/dbraw/zinc/17/33/49/1384173349.db2.gz LRHRHINHUIJEBU-GFCCVEGCSA-N 1 0 348.790 3.122 20 5 EGBDRO O=[N+]([O-])c1cc(NCC23CC[NH+](CC2)CC3)ccc1OC(F)(F)F ZINC001169796631 1384187084 /nfs/dbraw/zinc/18/70/84/1384187084.db2.gz QFLFWEUYLJNUOP-UHFFFAOYSA-N 1 0 345.321 3.391 20 5 EGBDRO COc1ccc(C[C@H](C)N2CC[C@H]([NH3+])c3ccccc32)c([N+](=O)[O-])c1 ZINC001170305819 1384287035 /nfs/dbraw/zinc/28/70/35/1384287035.db2.gz QFQWNWBQIPDQIO-GUYCJALGSA-N 1 0 341.411 3.445 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+][C@H]2CCc3ncccc32)c([N+](=O)[O-])c1 ZINC001170313821 1384288269 /nfs/dbraw/zinc/28/82/69/1384288269.db2.gz RPOJMGKOQAPWNW-PXAZEXFGSA-N 1 0 327.384 3.207 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+]C(C)(C)c2ccccn2)c([N+](=O)[O-])c1 ZINC001170312630 1384288400 /nfs/dbraw/zinc/28/84/00/1384288400.db2.gz GFZWHNXIHOCQNF-ZDUSSCGKSA-N 1 0 329.400 3.454 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+][C@H](C)Cc2ccc(O)cc2)c([N+](=O)[O-])c1 ZINC001170319641 1384290064 /nfs/dbraw/zinc/29/00/64/1384290064.db2.gz XUCRYEBXFIHDQM-ZIAGYGMSSA-N 1 0 344.411 3.461 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2cn(C3CCC3)cn2)c([N+](=O)[O-])c1 ZINC001170325188 1384291239 /nfs/dbraw/zinc/29/12/39/1384291239.db2.gz SSCYHSZLXLMFQU-CYBMUJFWSA-N 1 0 344.415 3.246 20 5 EGBDRO COc1ccc(C[C@@H](C)Nc2ccc(C[NH3+])c(F)c2)c([N+](=O)[O-])c1 ZINC001170327917 1384291961 /nfs/dbraw/zinc/29/19/61/1384291961.db2.gz SNCUOGICYDUQFE-LLVKDONJSA-N 1 0 333.363 3.244 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+]C2(Cc3cccnc3)CC2)c([N+](=O)[O-])c1 ZINC001170327908 1384292110 /nfs/dbraw/zinc/29/21/10/1384292110.db2.gz SMBYQTPSRMTEFM-CQSZACIVSA-N 1 0 341.411 3.294 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+]C2(Cc3cccnc3)CC2)c([N+](=O)[O-])c1 ZINC001170327905 1384292238 /nfs/dbraw/zinc/29/22/38/1384292238.db2.gz SMBYQTPSRMTEFM-AWEZNQCLSA-N 1 0 341.411 3.294 20 5 EGBDRO COc1ccc(C[C@H](C)Nc2ccc(OC)c(C[NH3+])c2)c([N+](=O)[O-])c1 ZINC001170329228 1384292998 /nfs/dbraw/zinc/29/29/98/1384292998.db2.gz YAPUCZRLIDQQIY-LBPRGKRZSA-N 1 0 345.399 3.114 20 5 EGBDRO COc1ccc(C[C@H](C)[N@@H+]2CC[C@H]3O[C@@H](C)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC001170336362 1384294553 /nfs/dbraw/zinc/29/45/53/1384294553.db2.gz WZLXLUZGIXNZKK-BWQRHGBYSA-N 1 0 334.416 3.034 20 5 EGBDRO COCC[C@@H]1CCCC[N@@H+]1[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170345727 1384295673 /nfs/dbraw/zinc/29/56/73/1384295673.db2.gz LDVMSTBOYGFUIF-ZBFHGGJFSA-N 1 0 336.432 3.425 20 5 EGBDRO CCCOC1CC[NH+]([C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC001170347480 1384296776 /nfs/dbraw/zinc/29/67/76/1384296776.db2.gz RFPYRPPUEQYBQG-AWEZNQCLSA-N 1 0 336.432 3.425 20 5 EGBDRO COc1ccc(C[C@@H](C)[N@H+](C)Cc2cccnc2C)c([N+](=O)[O-])c1 ZINC001170355182 1384298927 /nfs/dbraw/zinc/29/89/27/1384298927.db2.gz WYAJNLQNXPLNTF-CYBMUJFWSA-N 1 0 329.400 3.370 20 5 EGBDRO C[NH+]1C(C)(C)CC(Nc2ncnc(Cl)c2[N+](=O)[O-])CC1(C)C ZINC001170448424 1384321150 /nfs/dbraw/zinc/32/11/50/1384321150.db2.gz ZGNWGWDXWBNMNT-UHFFFAOYSA-N 1 0 327.816 3.102 20 5 EGBDRO C[C@H]([NH3+])c1ncc(-c2ccccc2)n1-c1cccc2ncc([N+](=O)[O-])n21 ZINC001170686069 1384365891 /nfs/dbraw/zinc/36/58/91/1384365891.db2.gz MULOFVUXIASNFS-LBPRGKRZSA-N 1 0 348.366 3.115 20 5 EGBDRO COc1ncc([N+](=O)[O-])cc1-n1cc(C[C@@H](C)[NH3+])c2ccc(C)cc21 ZINC001171170499 1384460021 /nfs/dbraw/zinc/46/00/21/1384460021.db2.gz XSHPVBANFRYSIG-GFCCVEGCSA-N 1 0 340.383 3.140 20 5 EGBDRO CC[C@H]1CC[C@H](C(=O)NCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001171667410 1384596158 /nfs/dbraw/zinc/59/61/58/1384596158.db2.gz ICMHRCHGCCEYEC-JCNLHEQBSA-N 1 0 347.459 3.407 20 5 EGBDRO CC1CCN(CC[NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172896231 1384873743 /nfs/dbraw/zinc/87/37/43/1384873743.db2.gz NKZHSOXQBXAHQV-GOSISDBHSA-N 1 0 331.460 3.164 20 5 EGBDRO COC(=O)[C@@H]1C[C@H]([NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1(C)C ZINC001172900963 1384874101 /nfs/dbraw/zinc/87/41/01/1384874101.db2.gz HXJNXPIWEQOHLT-XIRDDKMYSA-N 1 0 346.427 3.020 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]CCCc1cccnc1)CC2 ZINC001172900812 1384874212 /nfs/dbraw/zinc/87/42/12/1384874212.db2.gz FZTPTIFAFLFLDW-GOSISDBHSA-N 1 0 325.412 3.460 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CCC[C@]3(CCOC3)C1)CC2 ZINC001172902444 1384874777 /nfs/dbraw/zinc/87/47/77/1384874777.db2.gz BMHAYJODAALIOL-MJGOQNOKSA-N 1 0 330.428 3.345 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H](N1CC[NH+](C3CCCC3)CC1)CC2 ZINC001172910602 1384876198 /nfs/dbraw/zinc/87/61/98/1384876198.db2.gz MNFHIULAVWUNTA-IBGZPJMESA-N 1 0 343.471 3.402 20 5 EGBDRO COC(=O)C1(C)CC[NH+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172914266 1384876769 /nfs/dbraw/zinc/87/67/69/1384876769.db2.gz GCPRKQFGQZZUMB-INIZCTEOSA-N 1 0 346.427 3.117 20 5 EGBDRO CCN(CC)[C@@H]1CC[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172921325 1384880109 /nfs/dbraw/zinc/88/01/09/1384880109.db2.gz ONMWEYPEJNYPLN-IEBWSBKVSA-N 1 0 331.460 3.258 20 5 EGBDRO O=C1CC[C@@]2(CCC[N@@H+]([C@@H]3CCc4ccc([N+](=O)[O-])cc4CC3)C2)O1 ZINC001172921313 1384880154 /nfs/dbraw/zinc/88/01/54/1384880154.db2.gz OFVFZZSXMUBSDR-VQIMIIECSA-N 1 0 344.411 3.014 20 5 EGBDRO O=[N+]([O-])c1cc(F)c(N2CCC([N@@H+]3CCCC34CC4)CC2)c(F)c1 ZINC001173014449 1384897690 /nfs/dbraw/zinc/89/76/90/1384897690.db2.gz RFPUXJQLNZIUHA-UHFFFAOYSA-N 1 0 337.370 3.470 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+](C)Cc2ccccn2)c1F ZINC001173184423 1384932769 /nfs/dbraw/zinc/93/27/69/1384932769.db2.gz MXOAWKDOVWIKMI-GFCCVEGCSA-N 1 0 333.363 3.201 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)c1F ZINC001173196843 1384934282 /nfs/dbraw/zinc/93/42/82/1384934282.db2.gz QCHIHTLYTXMUBN-ZPFDUUQYSA-N 1 0 326.343 3.106 20 5 EGBDRO COc1ccccc1OCC[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173212642 1384937296 /nfs/dbraw/zinc/93/72/96/1384937296.db2.gz CAHIAIOMBQDARW-AWEZNQCLSA-N 1 0 330.384 3.203 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCCC[C@H]1C[NH+]1CCCC1 ZINC001173224964 1384939033 /nfs/dbraw/zinc/93/90/33/1384939033.db2.gz ADQQERQNSIYQOH-APWZRJJASA-N 1 0 331.460 3.476 20 5 EGBDRO CCOCc1noc2c1C[N@@H+]([C@@H](C)Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC001173229265 1384940810 /nfs/dbraw/zinc/94/08/10/1384940810.db2.gz WHVKMPFMBPPRGZ-ZDUSSCGKSA-N 1 0 345.399 3.109 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCOc1cc(Cl)ccn1 ZINC001173228340 1384940852 /nfs/dbraw/zinc/94/08/52/1384940852.db2.gz JIUHPFIMDUSLEJ-GFCCVEGCSA-N 1 0 335.791 3.243 20 5 EGBDRO Cc1nnc(C2CC[NH+]([C@H](C)Cc3ccc([N+](=O)[O-])cc3)CC2)o1 ZINC001173233545 1384941505 /nfs/dbraw/zinc/94/15/05/1384941505.db2.gz XFHOOCFIDRTLFZ-GFCCVEGCSA-N 1 0 330.388 3.097 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCc2ccccc2NC1=O ZINC001173233564 1384941678 /nfs/dbraw/zinc/94/16/78/1384941678.db2.gz JPALLEJYLCPWJT-ACJLOTCBSA-N 1 0 339.395 3.069 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC1CCC2(CC1)OCCO2 ZINC001173234530 1384942229 /nfs/dbraw/zinc/94/22/29/1384942229.db2.gz PDYMFLRQPWXKFH-AWEZNQCLSA-N 1 0 334.416 3.049 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]([NH+]2CCCC2)[C@@H](F)C1 ZINC001173238445 1384943010 /nfs/dbraw/zinc/94/30/10/1384943010.db2.gz SPARSDNWYIKYBX-JCGIZDLHSA-N 1 0 335.423 3.034 20 5 EGBDRO Cc1c(Cc2nnc(CC[NH+]3CCC(C)CC3)o2)cccc1[N+](=O)[O-] ZINC001329074656 1388956759 /nfs/dbraw/zinc/95/67/59/1388956759.db2.gz LVRQYAHXQJGOBA-UHFFFAOYSA-N 1 0 344.415 3.151 20 5 EGBDRO Cc1ccc(C(=O)NCCC[NH2+]Cc2ccccc2[N+](=O)[O-])cc1C ZINC001175133812 1385199754 /nfs/dbraw/zinc/19/97/54/1385199754.db2.gz BAIPXTFECVICOV-UHFFFAOYSA-N 1 0 341.411 3.121 20 5 EGBDRO C[NH+](C)Cc1ccc(-n2c3ccccc3nc3cc(N)c(=O)cc2-3)cc1 ZINC001176295672 1385543499 /nfs/dbraw/zinc/54/34/99/1385543499.db2.gz KZWRJYQOUIWQGO-UHFFFAOYSA-N 1 0 344.418 3.134 20 5 EGBDRO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001318406292 1385675727 /nfs/dbraw/zinc/67/57/27/1385675727.db2.gz GBYZHURRHHCAMG-CHWSQXEVSA-N 1 0 340.811 3.243 20 5 EGBDRO CCC[N@@H+]1CCCC[C@@H]1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC001319245947 1386023666 /nfs/dbraw/zinc/02/36/66/1386023666.db2.gz QCEWMOGGOOBIBV-OAHLLOKOSA-N 1 0 339.823 3.129 20 5 EGBDRO CC(C)(C)[NH+]1CCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC001319816125 1386312070 /nfs/dbraw/zinc/31/20/70/1386312070.db2.gz RTCNKNNVRLWSIJ-UHFFFAOYSA-N 1 0 343.374 3.112 20 5 EGBDRO CC[NH+](CC)Cc1ccc(-c2nnc(CCC(C)(C)[N+](=O)[O-])o2)o1 ZINC001333110645 1390250656 /nfs/dbraw/zinc/25/06/56/1390250656.db2.gz JWUMIWSPFOWLKM-UHFFFAOYSA-N 1 0 336.392 3.159 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@H](CC[NH3+])c2ccccc21 ZINC001341523707 1390497940 /nfs/dbraw/zinc/49/79/40/1390497940.db2.gz ACVVHRDIYPZFDS-AWEZNQCLSA-N 1 0 339.395 3.304 20 5 EGBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1cccc2c1C[NH2+]C2 ZINC001341623733 1390511408 /nfs/dbraw/zinc/51/14/08/1390511408.db2.gz OGRCZDHKARUHPF-UHFFFAOYSA-N 1 0 340.383 3.029 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](CC[NH3+])c3ccccc32)c1C ZINC001342299751 1390598148 /nfs/dbraw/zinc/59/81/48/1390598148.db2.gz HEPIHTWNTBRURJ-CQSZACIVSA-N 1 0 339.395 3.304 20 5 EGBDRO CC[C@]1([NH2+]Cc2cc([N+](=O)[O-])ccc2Br)CCOC1 ZINC001334872214 1390610001 /nfs/dbraw/zinc/61/00/01/1390610001.db2.gz YSXHRJKAZMHZKS-ZDUSSCGKSA-N 1 0 329.194 3.016 20 5 EGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C2CCN(CC(F)F)CC2)c1 ZINC001343652445 1390728963 /nfs/dbraw/zinc/72/89/63/1390728963.db2.gz OCNDGJIRKMSEBO-UHFFFAOYSA-N 1 0 333.766 3.067 20 5 EGBDRO Cc1cc(Cl)c(C(=O)N2CC[NH+](C(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC001347794767 1391125813 /nfs/dbraw/zinc/12/58/13/1391125813.db2.gz UWIYQUUNAPVCBE-UHFFFAOYSA-N 1 0 339.823 3.113 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1-c1noc(C[C@H](C)[C@H]2CCC[NH2+]C2)n1 ZINC001349330371 1391321315 /nfs/dbraw/zinc/32/13/15/1391321315.db2.gz IOVSFPGWDBNBRH-FZMZJTMJSA-N 1 0 344.415 3.440 20 5 EGBDRO CC(C)CCCC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001752665550 1440198699 /nfs/dbraw/zinc/19/86/99/1440198699.db2.gz QSLPFVCYBUFPIY-WKILWMFISA-N 1 0 333.432 3.158 20 5 EGBDRO CC(C)CC(=O)NC1(C[NH2+]Cc2csc([N+](=O)[O-])c2)CCCC1 ZINC001753499101 1440422675 /nfs/dbraw/zinc/42/26/75/1440422675.db2.gz JTHJCTGGGHCOOA-UHFFFAOYSA-N 1 0 339.461 3.221 20 5 EGBDRO CCN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)C1=CCCCCC1 ZINC001754041879 1440534842 /nfs/dbraw/zinc/53/48/42/1440534842.db2.gz IGVGYIHDVPGPMU-UHFFFAOYSA-N 1 0 345.443 3.423 20 5 EGBDRO CN(CCC[N@H+](C)Cc1ccccc1[N+](=O)[O-])C(=O)C1(C)CCC1 ZINC001755041143 1440737279 /nfs/dbraw/zinc/73/72/79/1440737279.db2.gz MQTAJPMZLHGQKI-UHFFFAOYSA-N 1 0 333.432 3.065 20 5 EGBDRO O=[N+]([O-])c1cccc2nc(N3CC4(C3)CC[N@H+](CC3CC3)C4)ccc21 ZINC001164772554 721287491 /nfs/dbraw/zinc/28/74/91/721287491.db2.gz IWCANWWSYPOZHQ-UHFFFAOYSA-N 1 0 338.411 3.065 20 5 EGBDRO C[C@H](NC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000174105617 231122097 /nfs/dbraw/zinc/12/20/97/231122097.db2.gz QNFORJKKXXTWEC-GOEBONIOSA-N 1 0 348.447 3.172 20 5 EGBDRO CN(CC1([NH+](C)C)CCC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000097935787 219059268 /nfs/dbraw/zinc/05/92/68/219059268.db2.gz GCPFXXQYLNFAJI-UHFFFAOYSA-N 1 0 342.237 3.278 20 5 EGBDRO Cc1ncc2c(n1)CC[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)C2 ZINC000370671730 282173970 /nfs/dbraw/zinc/17/39/70/282173970.db2.gz WYLXBPJCTXRMPI-WFASDCNBSA-N 1 0 326.400 3.210 20 5 EGBDRO CC[C@H](NC(=O)CC1(C[NH3+])CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000184215716 529471215 /nfs/dbraw/zinc/47/12/15/529471215.db2.gz KLMFGXYIRSGWQN-INIZCTEOSA-N 1 0 333.432 3.461 20 5 EGBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)cc1 ZINC000174802314 231314754 /nfs/dbraw/zinc/31/47/54/231314754.db2.gz PZNRKPMKXZSMAX-LJQANCHMSA-N 1 0 342.395 3.172 20 5 EGBDRO Cc1ccc(NC(=O)NC[C@@H](C)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000048050833 213883912 /nfs/dbraw/zinc/88/39/12/213883912.db2.gz XFWFVGJIVWNSRH-CYBMUJFWSA-N 1 0 334.420 3.147 20 5 EGBDRO Cc1csc([C@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C2CC2)n1 ZINC000183565310 235143626 /nfs/dbraw/zinc/14/36/26/235143626.db2.gz HAZKULWCMVGJBT-HUUCEWRRSA-N 1 0 333.413 3.134 20 5 EGBDRO CSC[C@](C)(O)C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000130262762 223137712 /nfs/dbraw/zinc/13/77/12/223137712.db2.gz FIJBCUAWNKLXTM-UKPHBRMFSA-N 1 0 338.473 3.010 20 5 EGBDRO C[C@H](O)[C@](C)(C[NH2+]Cc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000191711920 239260888 /nfs/dbraw/zinc/26/08/88/239260888.db2.gz YPXCQMXIONFKPR-KXBFYZLASA-N 1 0 328.412 3.314 20 5 EGBDRO C[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000194005555 240398224 /nfs/dbraw/zinc/39/82/24/240398224.db2.gz ISEWBKIBFRUKGH-PWSUYJOCSA-N 1 0 325.796 3.355 20 5 EGBDRO C[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000194005595 240398546 /nfs/dbraw/zinc/39/85/46/240398546.db2.gz ISEWBKIBFRUKGH-CMPLNLGQSA-N 1 0 325.796 3.355 20 5 EGBDRO CC(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000236735400 242339690 /nfs/dbraw/zinc/33/96/90/242339690.db2.gz PFHDYOURQXNTSZ-KRWDZBQOSA-N 1 0 327.384 3.148 20 5 EGBDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000020016781 212093679 /nfs/dbraw/zinc/09/36/79/212093679.db2.gz MHTHOSZRIJIRTC-GFCCVEGCSA-N 1 0 339.823 3.243 20 5 EGBDRO C[NH+](C)CCCOc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000110488971 220039342 /nfs/dbraw/zinc/03/93/42/220039342.db2.gz GSIWVXWDGBBOQV-UHFFFAOYSA-N 1 0 343.383 3.178 20 5 EGBDRO O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1csc([N+](=O)[O-])c1 ZINC000078429260 217051548 /nfs/dbraw/zinc/05/15/48/217051548.db2.gz OTQSGZPUMDNOCL-HNNXBMFYSA-N 1 0 345.424 3.051 20 5 EGBDRO CN(c1ccc([N+](=O)[O-])cn1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000264896355 247019588 /nfs/dbraw/zinc/01/95/88/247019588.db2.gz ARHHWUHDIFXBBF-UHFFFAOYSA-N 1 0 326.400 3.091 20 5 EGBDRO Cc1csc(C(C)(C)[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])n1 ZINC000265404703 247475034 /nfs/dbraw/zinc/47/50/34/247475034.db2.gz BFXNKHHBGNCJEE-UHFFFAOYSA-N 1 0 348.428 3.213 20 5 EGBDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000266219007 248181743 /nfs/dbraw/zinc/18/17/43/248181743.db2.gz YZKILNXCVXCGJA-MRXNPFEDSA-N 1 0 347.459 3.205 20 5 EGBDRO O=C(Nc1cccc(CC[NH+]2CCCC2)c1)c1ccc([N+](=O)[O-])o1 ZINC000094122075 218265912 /nfs/dbraw/zinc/26/59/12/218265912.db2.gz ISEVJIIFYYEYJG-UHFFFAOYSA-N 1 0 329.356 3.078 20 5 EGBDRO CC[N@H+](C)C[C@H]1CCN(c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000268788338 252238159 /nfs/dbraw/zinc/23/81/59/252238159.db2.gz FTDFTCCHISSTDV-LLVKDONJSA-N 1 0 342.237 3.135 20 5 EGBDRO O=[N+]([O-])c1c2cccnc2ccc1N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000261758724 285079762 /nfs/dbraw/zinc/07/97/62/285079762.db2.gz VOVRHPDLAHGORS-OAHLLOKOSA-N 1 0 326.400 3.111 20 5 EGBDRO COCC1CC[NH+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000112354433 220310787 /nfs/dbraw/zinc/31/07/87/220310787.db2.gz YRGLAJKEAQKCAF-LBPRGKRZSA-N 1 0 346.387 3.064 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCc1cn3c(n1)CCCC3)CCC2 ZINC000365197302 285145272 /nfs/dbraw/zinc/14/52/72/285145272.db2.gz NHRGIICNWUPYLY-GOSISDBHSA-N 1 0 340.427 3.337 20 5 EGBDRO Cc1cc(NC(=O)NC2CC[NH+](C(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000153811594 224161245 /nfs/dbraw/zinc/16/12/45/224161245.db2.gz BADHHPQURDFVNP-UHFFFAOYSA-N 1 0 334.420 3.288 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCSC[C@@H]2c2ccccc2)c1 ZINC000154310873 224235425 /nfs/dbraw/zinc/23/54/25/224235425.db2.gz DSAJYAYKVBYTBF-MSOLQXFVSA-N 1 0 344.436 3.418 20 5 EGBDRO Cc1ccnc(NC2CC[NH+]([C@H](C)c3ccncc3)CC2)c1[N+](=O)[O-] ZINC000119269585 221281228 /nfs/dbraw/zinc/28/12/28/221281228.db2.gz YWSXTABFKDCKSQ-CQSZACIVSA-N 1 0 341.415 3.331 20 5 EGBDRO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)[C@H](c1ccccc1)[NH+](C)C ZINC000187205992 533292269 /nfs/dbraw/zinc/29/22/69/533292269.db2.gz VJKPXKMAIDSWMJ-CXAGYDPISA-N 1 0 327.384 3.016 20 5 EGBDRO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181655457 533293197 /nfs/dbraw/zinc/29/31/97/533293197.db2.gz NPTSKMJREPHZOJ-CHWSQXEVSA-N 1 0 349.406 3.117 20 5 EGBDRO CC[NH+]1C[C@H](C)N(C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000344450191 285458678 /nfs/dbraw/zinc/45/86/78/285458678.db2.gz LRIZXPLSLPZAFT-KBPBESRZSA-N 1 0 333.432 3.273 20 5 EGBDRO Cn1cc(-c2ccc(C[NH2+]Cc3ccc([N+](=O)[O-])cc3)s2)cn1 ZINC000337835216 141064458 /nfs/dbraw/zinc/06/44/58/141064458.db2.gz XISYCBDZYOSNJH-UHFFFAOYSA-N 1 0 328.397 3.347 20 5 EGBDRO C[C@@H](Cn1cccn1)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000337861439 141068938 /nfs/dbraw/zinc/06/89/38/141068938.db2.gz BGXRLERNQHMSSV-ZDUSSCGKSA-N 1 0 326.356 3.230 20 5 EGBDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000342965566 141153170 /nfs/dbraw/zinc/15/31/70/141153170.db2.gz KWVLAWLZIYMXGQ-KRWDZBQOSA-N 1 0 348.447 3.049 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)c1 ZINC000173196462 144036985 /nfs/dbraw/zinc/03/69/85/144036985.db2.gz OKAZGJWGIIGNEH-KBXCAEBGSA-N 1 0 333.432 3.144 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCC[C@@H](C)C1 ZINC000185260357 144108751 /nfs/dbraw/zinc/10/87/51/144108751.db2.gz TVFNICGMKXFKCL-CYBMUJFWSA-N 1 0 335.404 3.054 20 5 EGBDRO Cc1cc(C(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000187199563 144154150 /nfs/dbraw/zinc/15/41/50/144154150.db2.gz FBIWZJDBRVVLOD-RDTXWAMCSA-N 1 0 341.411 3.324 20 5 EGBDRO Cc1cc(C(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000187199499 144154386 /nfs/dbraw/zinc/15/43/86/144154386.db2.gz FBIWZJDBRVVLOD-KSSFIOAISA-N 1 0 341.411 3.324 20 5 EGBDRO Cc1c(C[NH2+][C@@H](CC(=O)N(C)C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000341450809 155299355 /nfs/dbraw/zinc/29/93/55/155299355.db2.gz JNCNDKYOZVOHNZ-KRWDZBQOSA-N 1 0 341.411 3.212 20 5 EGBDRO C[C@@H]1CN(CCOc2ccccc2[N+](=O)[O-])C[C@H](c2ccsc2)O1 ZINC000121083521 152324553 /nfs/dbraw/zinc/32/45/53/152324553.db2.gz BIQRIWJBWYELDN-CXAGYDPISA-N 1 0 348.424 3.497 20 5 EGBDRO COCC[N@H+](C)CCCNc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000341554812 155352437 /nfs/dbraw/zinc/35/24/37/155352437.db2.gz XBKPVQOOYGSCDH-UHFFFAOYSA-N 1 0 336.219 3.282 20 5 EGBDRO CCN(CCC[NH+]1CCCC1)c1ccc([N+](=O)[O-])c2cnccc21 ZINC000190974871 153169239 /nfs/dbraw/zinc/16/92/39/153169239.db2.gz LBLAUZSTVFTXGF-UHFFFAOYSA-N 1 0 328.416 3.455 20 5 EGBDRO COc1cc(C[NH2+]Cc2ccc3ncccc3c2)c([N+](=O)[O-])cc1O ZINC000192978135 153270284 /nfs/dbraw/zinc/27/02/84/153270284.db2.gz OGWGNJOQHIURTR-UHFFFAOYSA-N 1 0 339.351 3.147 20 5 EGBDRO CC(C)CCSc1ccc(C(=O)NC[C@@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000236601334 153454492 /nfs/dbraw/zinc/45/44/92/153454492.db2.gz RRDWLOIPDHHKBI-LBPRGKRZSA-N 1 0 339.461 3.058 20 5 EGBDRO C[C@H](c1ccccc1)[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000302640372 154027461 /nfs/dbraw/zinc/02/74/61/154027461.db2.gz ZXGYZTPCCIBOTB-PBHICJAKSA-N 1 0 330.384 3.028 20 5 EGBDRO CCOc1ccc([C@H](C)[NH2+][C@H](CO)c2ccccc2)cc1[N+](=O)[O-] ZINC000305726454 154111619 /nfs/dbraw/zinc/11/16/19/154111619.db2.gz HIBWJTDZPYLDJJ-XJKSGUPXSA-N 1 0 330.384 3.378 20 5 EGBDRO COc1cccc([C@H](CNc2ccc([N+](=O)[O-])c(OC)c2)[NH+](C)C)c1 ZINC000327745923 154188623 /nfs/dbraw/zinc/18/86/23/154188623.db2.gz OQLDKYSWRUMQRM-KRWDZBQOSA-N 1 0 345.399 3.327 20 5 EGBDRO C[C@@H](Nc1ncccc1[N+](=O)[O-])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000336674167 154209864 /nfs/dbraw/zinc/20/98/64/154209864.db2.gz BVRXGFGYHZYDCB-GDBMZVCRSA-N 1 0 326.400 3.312 20 5 EGBDRO C[N@H+](CCNc1cc(C(F)(F)F)ncc1[N+](=O)[O-])C1CCCC1 ZINC000336871181 154223880 /nfs/dbraw/zinc/22/38/80/154223880.db2.gz DUNOQLUSAYGAMP-UHFFFAOYSA-N 1 0 332.326 3.295 20 5 EGBDRO CN(CC[NH+]1CCCC1)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000349059567 156337203 /nfs/dbraw/zinc/33/72/03/156337203.db2.gz CRXVSKOHUAVSIL-UHFFFAOYSA-N 1 0 346.456 3.246 20 5 EGBDRO CCOc1cc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)ccc1OC ZINC000058093443 161536410 /nfs/dbraw/zinc/53/64/10/161536410.db2.gz STFSOCDBLASKPZ-UHFFFAOYSA-N 1 0 330.384 3.334 20 5 EGBDRO CC(C)(CO)[C@@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])c1cccnc1 ZINC000354072288 165959444 /nfs/dbraw/zinc/95/94/44/165959444.db2.gz GKSSYPWJZNPDQL-POZKEBTKSA-N 1 0 341.411 3.352 20 5 EGBDRO Cc1cc(C(=O)NCCCCC[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000110439653 162127511 /nfs/dbraw/zinc/12/75/11/162127511.db2.gz JAJJOPRDGJQPNY-UHFFFAOYSA-N 1 0 333.432 3.289 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000125735129 162286395 /nfs/dbraw/zinc/28/63/95/162286395.db2.gz CLPBRFPPCYOZGU-GFCCVEGCSA-N 1 0 334.420 3.065 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1C ZINC000248590581 163018792 /nfs/dbraw/zinc/01/87/92/163018792.db2.gz ZGAXBYAFTGBQFC-KCQAQPDRSA-N 1 0 349.431 3.346 20 5 EGBDRO COc1ccc(-c2ccc(C[NH2+]CC[C@H](C)OC)o2)c([N+](=O)[O-])c1 ZINC000338710132 163326251 /nfs/dbraw/zinc/32/62/51/163326251.db2.gz PBTZJLVZPOKXOM-LBPRGKRZSA-N 1 0 334.372 3.378 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(N(C)CCC[N@H+](C)Cc2ccco2)c1 ZINC000338725530 163332871 /nfs/dbraw/zinc/33/28/71/163332871.db2.gz LOCSSENEVFNPIP-UHFFFAOYSA-N 1 0 333.388 3.155 20 5 EGBDRO CCC[NH+](CCC)CCCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000340668262 163638704 /nfs/dbraw/zinc/63/87/04/163638704.db2.gz BBOZMNRCSLGGFH-UHFFFAOYSA-N 1 0 333.432 3.386 20 5 EGBDRO CCC1(C)CC[NH+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1 ZINC000343886509 164058922 /nfs/dbraw/zinc/05/89/22/164058922.db2.gz QQPPTENILHWXJZ-UHFFFAOYSA-N 1 0 347.415 3.405 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H](C2CC2)C1 ZINC000344071306 164096700 /nfs/dbraw/zinc/09/67/00/164096700.db2.gz RWEDDIPBCJOOAZ-OAHLLOKOSA-N 1 0 331.416 3.354 20 5 EGBDRO Cc1c(C(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000344151124 164114577 /nfs/dbraw/zinc/11/45/77/164114577.db2.gz MYYSELWPLHTYHN-SCLBCKFNSA-N 1 0 333.432 3.144 20 5 EGBDRO COc1cc(C[NH2+]CC(C)(C)Oc2ccccc2)c([N+](=O)[O-])cc1O ZINC000344448835 164181955 /nfs/dbraw/zinc/18/19/55/164181955.db2.gz NRAUYAJPINXYAQ-UHFFFAOYSA-N 1 0 346.383 3.256 20 5 EGBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000344586279 164193987 /nfs/dbraw/zinc/19/39/87/164193987.db2.gz RLWHWAVHONRMMD-JFIYKMOQSA-N 1 0 347.459 3.311 20 5 EGBDRO Cc1ccc(-c2n[nH]cc2C[NH2+]CCc2ccccc2[N+](=O)[O-])o1 ZINC000344603968 164198180 /nfs/dbraw/zinc/19/81/80/164198180.db2.gz KYCWYNTUVSZGDF-UHFFFAOYSA-N 1 0 326.356 3.219 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000347313045 164478065 /nfs/dbraw/zinc/47/80/65/164478065.db2.gz NPJXMEUWGZILEH-CRAIPNDOSA-N 1 0 347.459 3.441 20 5 EGBDRO COc1ccc(-c2ccc(C[NH2+]CCOC(C)C)o2)c([N+](=O)[O-])c1 ZINC000350184267 165017285 /nfs/dbraw/zinc/01/72/85/165017285.db2.gz GFHSSGMEOZYSPY-UHFFFAOYSA-N 1 0 334.372 3.378 20 5 EGBDRO C[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1F)[N@@H+]1CCCC[C@@H]1C ZINC000351653875 165117694 /nfs/dbraw/zinc/11/76/94/165117694.db2.gz DAZPLHGLTGJEOX-RYUDHWBXSA-N 1 0 338.383 3.118 20 5 EGBDRO CC[N@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@@H]1CCOC(C)(C)C1 ZINC000351933442 165156970 /nfs/dbraw/zinc/15/69/70/165156970.db2.gz CNNFBJXMXRFLGU-OAHLLOKOSA-N 1 0 349.431 3.121 20 5 EGBDRO Cc1cccc(C)c1[C@H](C)[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000355062507 166097016 /nfs/dbraw/zinc/09/70/16/166097016.db2.gz PVLWUBHUKYHMIS-ZDUSSCGKSA-N 1 0 327.384 3.161 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@H](CO)CC2CCC2)o1 ZINC000355537334 166235857 /nfs/dbraw/zinc/23/58/57/166235857.db2.gz TXUCIWCJWDXBEL-AWEZNQCLSA-N 1 0 330.384 3.496 20 5 EGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCc1ncc(C)cn1 ZINC000358363318 166842096 /nfs/dbraw/zinc/84/20/96/166842096.db2.gz DUHRKMSIBHIWTK-CQSZACIVSA-N 1 0 346.456 3.396 20 5 EGBDRO CN(c1ccccc1)c1ccc(CN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000359092457 167064866 /nfs/dbraw/zinc/06/48/66/167064866.db2.gz IGDCKCLGCJAMNJ-UHFFFAOYSA-N 1 0 340.427 3.110 20 5 EGBDRO CC[C@H](C)[NH2+][C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)c1ccco1 ZINC000359561132 167194733 /nfs/dbraw/zinc/19/47/33/167194733.db2.gz QQHLRPKZUSCZPC-XHDPSFHLSA-N 1 0 349.362 3.186 20 5 EGBDRO CCn1c(C)nc([N+](=O)[O-])c1NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000360949741 167457580 /nfs/dbraw/zinc/45/75/80/167457580.db2.gz QIORHFQRJZIYBI-ZIAGYGMSSA-N 1 0 337.468 3.290 20 5 EGBDRO Cc1c(CC(=O)N(CC[NH+](C)C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000163836770 226022341 /nfs/dbraw/zinc/02/23/41/226022341.db2.gz CXCDIPKTUCHKFF-UHFFFAOYSA-N 1 0 341.411 3.041 20 5 EGBDRO CC[NH+](CC)C[C@H]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000174206943 265032743 /nfs/dbraw/zinc/03/27/43/265032743.db2.gz KFXRFVWUNPULTM-CYBMUJFWSA-N 1 0 325.840 3.412 20 5 EGBDRO Cc1ccc([C@H](C)NC(=O)[C@H]2CCCCCC[C@@H]2[NH3+])cc1[N+](=O)[O-] ZINC000237514589 266236600 /nfs/dbraw/zinc/23/66/00/266236600.db2.gz PPPKMPPSWOQWMS-BPUTZDHNSA-N 1 0 333.432 3.378 20 5 EGBDRO COc1ccccc1C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000269662273 266336003 /nfs/dbraw/zinc/33/60/03/266336003.db2.gz KBVWLKMCMDUSOV-SFHVURJKSA-N 1 0 342.395 3.301 20 5 EGBDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000273362211 267027327 /nfs/dbraw/zinc/02/73/27/267027327.db2.gz FJBPJWIOYDGMEU-GFCCVEGCSA-N 1 0 338.383 3.072 20 5 EGBDRO CC1(C)CC(NC(=O)Nc2ccc([N+](=O)[O-])cc2F)CC(C)(C)[NH2+]1 ZINC000273499605 267048606 /nfs/dbraw/zinc/04/86/06/267048606.db2.gz UXXNTOGLYBFGTR-UHFFFAOYSA-N 1 0 338.383 3.165 20 5 EGBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNc1ncc([N+](=O)[O-])cn1 ZINC000273621540 267070050 /nfs/dbraw/zinc/07/00/50/267070050.db2.gz ORQBKBMWHXZTEN-CQSZACIVSA-N 1 0 341.415 3.371 20 5 EGBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNc2ncc([N+](=O)[O-])cn2)cc1 ZINC000273626356 267070869 /nfs/dbraw/zinc/07/08/69/267070869.db2.gz PPFFYUGNPLLKHA-CQSZACIVSA-N 1 0 341.415 3.371 20 5 EGBDRO CCOc1cccc(N2CCC[C@H]([NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000273840491 267121630 /nfs/dbraw/zinc/12/16/30/267121630.db2.gz HSIYZSXKBWOPPO-HNNXBMFYSA-N 1 0 333.432 3.448 20 5 EGBDRO CC(C)OC(=O)C[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000274330266 267217885 /nfs/dbraw/zinc/21/78/85/267217885.db2.gz QTBFXUQDTIKYCH-ZDUSSCGKSA-N 1 0 338.379 3.288 20 5 EGBDRO CC[C@H]([NH2+]CCc1cn2c(n1)SCC2)c1cccc([N+](=O)[O-])c1 ZINC000274384793 267227352 /nfs/dbraw/zinc/22/73/52/267227352.db2.gz NLPSHAPFFNMOAN-HNNXBMFYSA-N 1 0 332.429 3.180 20 5 EGBDRO C[C@@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CCN1C(=O)OC(C)(C)C ZINC000278534931 268033571 /nfs/dbraw/zinc/03/35/71/268033571.db2.gz VVAKFECKLNUCJQ-UKRRQHHQSA-N 1 0 349.431 3.472 20 5 EGBDRO COC[C@](C)([NH3+])CNc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000265069813 274052476 /nfs/dbraw/zinc/05/24/76/274052476.db2.gz VZFMFYJHUXDZOF-LLVKDONJSA-N 1 0 341.717 3.043 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)[C@H]1COc2ccccc21 ZINC000373774487 274099823 /nfs/dbraw/zinc/09/98/23/274099823.db2.gz YAZGIATYXJFWKL-MLGOLLRUSA-N 1 0 328.368 3.258 20 5 EGBDRO CC1CC[NH+](CCCCNC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000046737350 275138605 /nfs/dbraw/zinc/13/86/05/275138605.db2.gz DDZAFOMXJJPDHU-UHFFFAOYSA-N 1 0 334.420 3.228 20 5 EGBDRO CCn1nc(C)c([N+](=O)[O-])c1NCCC[N@H+](C)Cc1ccccc1 ZINC000172823550 275197622 /nfs/dbraw/zinc/19/76/22/275197622.db2.gz CDCJDIOQYFYMOZ-UHFFFAOYSA-N 1 0 331.420 3.054 20 5 EGBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@]2(O)CCC[C@H](C(F)(F)F)C2)c1 ZINC000189611082 275220052 /nfs/dbraw/zinc/22/00/52/275220052.db2.gz UNTZUCMVNAUESH-JSGCOSHPSA-N 1 0 332.322 3.168 20 5 EGBDRO COc1cc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(F)cc1[N+](=O)[O-] ZINC000271070968 275237824 /nfs/dbraw/zinc/23/78/24/275237824.db2.gz FCDQULLRABKOHD-WFASDCNBSA-N 1 0 349.406 3.196 20 5 EGBDRO CCC(=O)c1ccc(N2CC[C@H](C[NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000280774537 275494422 /nfs/dbraw/zinc/49/44/22/275494422.db2.gz SDSCXMMVINKKEZ-CQSZACIVSA-N 1 0 331.416 3.110 20 5 EGBDRO COc1ccc(C[NH2+][C@@H](c2cncc(F)c2)C2CC2)cc1[N+](=O)[O-] ZINC000281251913 275533938 /nfs/dbraw/zinc/53/39/38/275533938.db2.gz NYVYMZDEHAVWSR-QGZVFWFLSA-N 1 0 331.347 3.378 20 5 EGBDRO C[C@H](Cn1cccn1)[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000282647327 275656895 /nfs/dbraw/zinc/65/68/95/275656895.db2.gz QGILYNRXGBONQY-BFYDXBDKSA-N 1 0 328.416 3.181 20 5 EGBDRO CCS[C@@H]1CCC[C@H]1[NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000284823307 275829086 /nfs/dbraw/zinc/82/90/86/275829086.db2.gz AFZYVVUDWZJBLR-NJZAAPMLSA-N 1 0 337.445 3.186 20 5 EGBDRO COc1cc(C[NH2+]CCCc2cccc(C)n2)c([N+](=O)[O-])cc1OC ZINC000285415723 275873466 /nfs/dbraw/zinc/87/34/66/275873466.db2.gz DITCLEHVDMGNIQ-UHFFFAOYSA-N 1 0 345.399 3.038 20 5 EGBDRO CC(C)c1ccc(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000285762818 275909623 /nfs/dbraw/zinc/90/96/23/275909623.db2.gz KOVNJNLNNXLLPP-GOEBONIOSA-N 1 0 345.443 3.417 20 5 EGBDRO CCS[C@H]1CCC[C@H]1[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000286228669 275966953 /nfs/dbraw/zinc/96/69/53/275966953.db2.gz RGCVOKAWOHIPKJ-KGLIPLIRSA-N 1 0 348.428 3.409 20 5 EGBDRO CC[NH+](CC)[C@H](C(=O)NCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000104040109 276115195 /nfs/dbraw/zinc/11/51/95/276115195.db2.gz AWGNUIUVEGKIQG-SFHVURJKSA-N 1 0 341.411 3.294 20 5 EGBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1ccc(N)cc1[N+](=O)[O-] ZINC000288180033 276188771 /nfs/dbraw/zinc/18/87/71/276188771.db2.gz BNFGZTCJRUJRDG-PBHICJAKSA-N 1 0 340.427 3.500 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000289651512 276372359 /nfs/dbraw/zinc/37/23/59/276372359.db2.gz DHCUFYPKHOJXIO-ZDUSSCGKSA-N 1 0 348.447 3.351 20 5 EGBDRO C[C@H]([NH2+]C[C@@]1(CO)C[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000289661730 276374214 /nfs/dbraw/zinc/37/42/14/276374214.db2.gz GTNQRKSFZYVZQG-ZOCIIQOWSA-N 1 0 326.396 3.412 20 5 EGBDRO CC(C)(C)C(=O)NCC[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290835139 276548057 /nfs/dbraw/zinc/54/80/57/276548057.db2.gz IIQWXISWGHKVBE-UHFFFAOYSA-N 1 0 348.230 3.154 20 5 EGBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000344695447 277040346 /nfs/dbraw/zinc/04/03/46/277040346.db2.gz GCOBIKIPVVXTPX-INIZCTEOSA-N 1 0 345.399 3.191 20 5 EGBDRO C[N@@H+]1CCC[C@@H]2CN(c3ccc4cc([N+](=O)[O-])ccc4n3)CC[C@@H]21 ZINC000133738225 277070154 /nfs/dbraw/zinc/07/01/54/277070154.db2.gz GACHPUKPAUQXHJ-PBHICJAKSA-N 1 0 326.400 3.064 20 5 EGBDRO CC[C@H](NC(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000162433398 288011977 /nfs/dbraw/zinc/01/19/77/288011977.db2.gz QDUSVSUKWKQCDL-KKXDTOCCSA-N 1 0 341.411 3.498 20 5 EGBDRO C[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])[C@@H](c1ccccc1)[NH+](C)C ZINC000187205595 278331397 /nfs/dbraw/zinc/33/13/97/278331397.db2.gz PVHWIAZKASNUCN-DYVFJYSZSA-N 1 0 327.384 3.016 20 5 EGBDRO C[C@@H]([NH2+][C@@H](CC(=O)N(C)C)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000360580494 278366487 /nfs/dbraw/zinc/36/64/87/278366487.db2.gz MOFGCWMKIZSBCL-KDOFPFPSSA-N 1 0 341.411 3.465 20 5 EGBDRO C[C@H](NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]C1 ZINC000269195022 279447613 /nfs/dbraw/zinc/44/76/13/279447613.db2.gz LJNYZRKLTPHHEW-GXTWGEPZSA-N 1 0 333.432 3.010 20 5 EGBDRO O=C(NCCCCC[NH+]1CCCC1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000357060041 279838011 /nfs/dbraw/zinc/83/80/11/279838011.db2.gz PFWSKGLUSUVBTJ-UHFFFAOYSA-N 1 0 339.823 3.244 20 5 EGBDRO CC(C)c1ccc(CN(CC[NH+](C)C)C[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000349033980 280604302 /nfs/dbraw/zinc/60/43/02/280604302.db2.gz BLGGCXULDMTARN-QGZVFWFLSA-N 1 0 349.475 3.261 20 5 EGBDRO COc1cccc(CN(CC[NH+](C)C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000349412398 295296109 /nfs/dbraw/zinc/29/61/09/295296109.db2.gz CFMMXHQEBZDWOO-UHFFFAOYSA-N 1 0 343.427 3.167 20 5 EGBDRO Cc1ccnc(N2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000413530501 309036041 /nfs/dbraw/zinc/03/60/41/309036041.db2.gz JRMPXFLRZPIJJR-HNNXBMFYSA-N 1 0 326.400 3.009 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(N2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000413536146 309036284 /nfs/dbraw/zinc/03/62/84/309036284.db2.gz VBMAMACNGGADEW-OAHLLOKOSA-N 1 0 326.400 3.009 20 5 EGBDRO Cc1cc(NCc2ccc(OCCC[NH+](C)C)cc2)ncc1[N+](=O)[O-] ZINC000074747735 307395512 /nfs/dbraw/zinc/39/55/12/307395512.db2.gz RLZZVCAJLSHLMT-UHFFFAOYSA-N 1 0 344.415 3.241 20 5 EGBDRO COC(=O)c1ccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000090797824 307461576 /nfs/dbraw/zinc/46/15/76/307461576.db2.gz UWMGXVRQVSCKGT-GFCCVEGCSA-N 1 0 344.367 3.241 20 5 EGBDRO COC(=O)c1ccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000090797823 307461741 /nfs/dbraw/zinc/46/17/41/307461741.db2.gz UWMGXVRQVSCKGT-LBPRGKRZSA-N 1 0 344.367 3.241 20 5 EGBDRO C[C@@H]([NH2+]C[C@H](Cc1ccccc1)N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000132967738 307665371 /nfs/dbraw/zinc/66/53/71/307665371.db2.gz DTTHRPZFFBVBFP-BEFAXECRSA-N 1 0 327.428 3.418 20 5 EGBDRO COc1cccc(COCC[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000152080595 307745238 /nfs/dbraw/zinc/74/52/38/307745238.db2.gz VCZOAROZGQGXLU-AWEZNQCLSA-N 1 0 330.384 3.471 20 5 EGBDRO CO[C@H]1c2ccccc2C[C@H]1[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000414222115 309067342 /nfs/dbraw/zinc/06/73/42/309067342.db2.gz LYYDVOVIGUSFOZ-IRWQIABSSA-N 1 0 326.396 3.428 20 5 EGBDRO C[C@@H](C[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(F)(F)F ZINC000414279958 309070239 /nfs/dbraw/zinc/07/02/39/309070239.db2.gz KHDGWKAHLNOMPX-GHMZBOCLSA-N 1 0 347.337 3.490 20 5 EGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](CO)c1ccc(F)cc1 ZINC000414282932 309070380 /nfs/dbraw/zinc/07/03/80/309070380.db2.gz DRPMXXDRPWNVDC-WMLDXEAASA-N 1 0 346.402 3.421 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1CCCC(F)(F)[C@@H]1O)CCC2 ZINC000414300897 309071458 /nfs/dbraw/zinc/07/14/58/309071458.db2.gz MKVCFLNLQXXZFE-QLFBSQMISA-N 1 0 326.343 3.111 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC000248427511 308002911 /nfs/dbraw/zinc/00/29/11/308002911.db2.gz OSXXQLVMJNXVQZ-QRTARXTBSA-N 1 0 331.416 3.352 20 5 EGBDRO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@@H](C)c1ccccc1 ZINC000248556163 308005519 /nfs/dbraw/zinc/00/55/19/308005519.db2.gz IDIQTUJGERLHQZ-HLLBOEOZSA-N 1 0 344.411 3.116 20 5 EGBDRO CC(C)N(CC[NH+](C)C)C(=O)/C=C\c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000255106882 308040301 /nfs/dbraw/zinc/04/03/01/308040301.db2.gz INIIUQUCYQITNJ-VURMDHGXSA-N 1 0 339.823 3.060 20 5 EGBDRO Cc1c(C[NH+]2CCC(CO)(c3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000293201045 308108869 /nfs/dbraw/zinc/10/88/69/308108869.db2.gz FTWDJIUTAQUEOE-UHFFFAOYSA-N 1 0 340.423 3.429 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCCO[C@@H](CF)C2)o1 ZINC000414478306 309082993 /nfs/dbraw/zinc/08/29/93/309082993.db2.gz OOULFBRMUTZCJO-AWEZNQCLSA-N 1 0 334.347 3.415 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CC2(CCOCC2)[C@H]1C1CC1 ZINC000293710588 308155076 /nfs/dbraw/zinc/15/50/76/308155076.db2.gz SIKSAWKOJQRIIA-YWPBOTNQSA-N 1 0 328.412 3.499 20 5 EGBDRO CCc1ccc([C@H](O)C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000293988195 308180567 /nfs/dbraw/zinc/18/05/67/308180567.db2.gz BUKPDRBQBUHNHA-KZULUSFZSA-N 1 0 329.400 3.124 20 5 EGBDRO CC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)[C@H](O)C(C)C ZINC000414527009 309086392 /nfs/dbraw/zinc/08/63/92/309086392.db2.gz MCNUKBFDXYGVAB-TZMCWYRMSA-N 1 0 332.347 3.081 20 5 EGBDRO CC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H](O)C(C)C ZINC000414527008 309086505 /nfs/dbraw/zinc/08/65/05/309086505.db2.gz MCNUKBFDXYGVAB-OCCSQVGLSA-N 1 0 332.347 3.081 20 5 EGBDRO Cc1nc(N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000294892140 308268427 /nfs/dbraw/zinc/26/84/27/308268427.db2.gz GILIDWJKFDWDED-CJNGLKHVSA-N 1 0 341.415 3.016 20 5 EGBDRO C[C@H](NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000295238941 308306414 /nfs/dbraw/zinc/30/64/14/308306414.db2.gz CQTKHZQKSQQAGJ-HOCLYGCPSA-N 1 0 345.443 3.427 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[N@@H+](C2CC2)C[C@H](C)C1 ZINC000295443928 308327126 /nfs/dbraw/zinc/32/71/26/308327126.db2.gz AHUKUMCCZDXTKV-LBPRGKRZSA-N 1 0 345.443 3.076 20 5 EGBDRO C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296014652 308384702 /nfs/dbraw/zinc/38/47/02/308384702.db2.gz LXHGCQMVIBLRMR-KBPBESRZSA-N 1 0 348.424 3.108 20 5 EGBDRO O=C(NCc1ccccc1C[NH+]1CCCC1)c1csc([N+](=O)[O-])c1 ZINC000298679580 308632602 /nfs/dbraw/zinc/63/26/02/308632602.db2.gz TYJORSWSXODRQJ-UHFFFAOYSA-N 1 0 345.424 3.182 20 5 EGBDRO C[C@H]([NH2+]CC(=O)N(C)Cc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000299723481 308685729 /nfs/dbraw/zinc/68/57/29/308685729.db2.gz SZWINCRITHSEEA-ZDUSSCGKSA-N 1 0 345.374 3.043 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)NC2CCCCCC2)cc1[N+](=O)[O-] ZINC000331549440 308810072 /nfs/dbraw/zinc/81/00/72/308810072.db2.gz ROGULONNGDPGIK-AWEZNQCLSA-N 1 0 333.432 3.393 20 5 EGBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(c2nc3sccn3c2[N+](=O)[O-])C1 ZINC000408062548 308908891 /nfs/dbraw/zinc/90/88/91/308908891.db2.gz PINIYVXDKMVSKU-UPJWGTAASA-N 1 0 349.460 3.146 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C3CCCC3)CC2)c2cccnc21 ZINC000413051331 309013394 /nfs/dbraw/zinc/01/33/94/309013394.db2.gz WRROQGZECRAYHI-UHFFFAOYSA-N 1 0 326.400 3.208 20 5 EGBDRO C[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2F)C[N@@H+]1Cc1ccccc1 ZINC000413187011 309020306 /nfs/dbraw/zinc/02/03/06/309020306.db2.gz QPGWATUOHUEUHL-JSGCOSHPSA-N 1 0 330.363 3.204 20 5 EGBDRO C[C@H](NCc1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@H]1CCC[NH2+]C1 ZINC000414851401 309105544 /nfs/dbraw/zinc/10/55/44/309105544.db2.gz JDVZOZLSLQUHIO-KBPBESRZSA-N 1 0 329.400 3.333 20 5 EGBDRO O=[N+]([O-])c1cccc(CN[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000414957727 309111437 /nfs/dbraw/zinc/11/14/37/309111437.db2.gz WJVCWLOHDZSKPO-CRAIPNDOSA-N 1 0 347.365 3.108 20 5 EGBDRO O=[N+]([O-])c1ccc(CN[C@@H]2C[NH2+]C[C@H]2c2ccccc2)c(Cl)c1 ZINC000415037151 309115751 /nfs/dbraw/zinc/11/57/51/309115751.db2.gz GKRLPZQKAHVUEB-DOTOQJQBSA-N 1 0 331.803 3.093 20 5 EGBDRO CC1(C)C[C@H]([NH2+][C@@H]2CCN(CC(F)F)C2)c2cc([N+](=O)[O-])ccc21 ZINC000417381084 309203764 /nfs/dbraw/zinc/20/37/64/309203764.db2.gz IBSORWVYUCWLHP-ABAIWWIYSA-N 1 0 339.386 3.246 20 5 EGBDRO Cc1ccc([C@@H](C)NC(=O)N[C@@H](C[NH3+])C2CCCCC2)cc1[N+](=O)[O-] ZINC000417819717 309223991 /nfs/dbraw/zinc/22/39/91/309223991.db2.gz CACPEQIZFCPLRL-CJNGLKHVSA-N 1 0 348.447 3.171 20 5 EGBDRO Cc1ccc(CC(C)(C)[NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 ZINC000419338345 309264926 /nfs/dbraw/zinc/26/49/26/309264926.db2.gz SEYIYFPBCCFGDC-UHFFFAOYSA-N 1 0 341.411 3.113 20 5 EGBDRO CC(C)(C(=O)NCCC[NH2+]C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000419927595 309273421 /nfs/dbraw/zinc/27/34/21/309273421.db2.gz WNLUUXFHLXSIAJ-UHFFFAOYSA-N 1 0 347.459 3.301 20 5 EGBDRO C[C@H]1CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)[C@@H](C[NH3+])C1 ZINC000420268317 309278835 /nfs/dbraw/zinc/27/88/35/309278835.db2.gz YZGOIZLOKIUGAU-DZGCQCFKSA-N 1 0 326.400 3.220 20 5 EGBDRO Cc1ccc([C@@H](C)NC(=O)NC2CCC([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000420806652 309295814 /nfs/dbraw/zinc/29/58/14/309295814.db2.gz PRUHKBYTONUCIG-IUDNXUCKSA-N 1 0 348.447 3.136 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCc2cccnc2CC1 ZINC000421822980 309341590 /nfs/dbraw/zinc/34/15/90/309341590.db2.gz BXRXDAYCBLRPIN-OAHLLOKOSA-N 1 0 327.384 3.036 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000422837594 309371048 /nfs/dbraw/zinc/37/10/48/309371048.db2.gz MIVPHLOEZVTBIH-UHFFFAOYSA-N 1 0 325.368 3.110 20 5 EGBDRO CCC[NH2+]CCN[C@@H](c1ccc(CC)o1)c1ccc([N+](=O)[O-])cc1 ZINC000423311109 309394799 /nfs/dbraw/zinc/39/47/99/309394799.db2.gz PESRIUBLCZPCHM-GOSISDBHSA-N 1 0 331.416 3.429 20 5 EGBDRO C[C@H](CC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)[C@H]1CCC[NH2+]C1 ZINC000423730128 309410950 /nfs/dbraw/zinc/41/09/50/309410950.db2.gz VXWWFDJJOHQQFW-ZBFHGGJFSA-N 1 0 345.443 3.112 20 5 EGBDRO CC[C@H]([NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000425430864 309479921 /nfs/dbraw/zinc/47/99/21/309479921.db2.gz GRSSQYHMJWWSPP-JSGCOSHPSA-N 1 0 343.221 3.405 20 5 EGBDRO COc1ccc(C[NH2+][C@@H]2CCc3c(cccc3OC)C2)cc1[N+](=O)[O-] ZINC000425944049 309495434 /nfs/dbraw/zinc/49/54/34/309495434.db2.gz LDSIIQVCZKDAAE-OAHLLOKOSA-N 1 0 342.395 3.259 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1C(=O)Nc1cc(C)cc(C[NH+](C)C)c1 ZINC000427708372 309534541 /nfs/dbraw/zinc/53/45/41/309534541.db2.gz YIDWQTMUNMRKGE-UHFFFAOYSA-N 1 0 343.383 3.226 20 5 EGBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000431896114 309646153 /nfs/dbraw/zinc/64/61/53/309646153.db2.gz LHUUJIZKOQPONR-SFHVURJKSA-N 1 0 341.411 3.246 20 5 EGBDRO [NH3+][C@@H]1CCN(Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000435367963 309729412 /nfs/dbraw/zinc/72/94/12/309729412.db2.gz CKSXLEUZTICVAY-CQSZACIVSA-N 1 0 331.347 3.059 20 5 EGBDRO C[NH+](C)[C@H](CNc1c2c(ccc1[N+](=O)[O-])NCC2)c1ccsc1 ZINC000436321244 309752662 /nfs/dbraw/zinc/75/26/62/309752662.db2.gz YROGEMPTOWBGLE-OAHLLOKOSA-N 1 0 332.429 3.339 20 5 EGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC(C)(C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000449068406 310034395 /nfs/dbraw/zinc/03/43/95/310034395.db2.gz BKMWRGGABBYJPV-HRCADAONSA-N 1 0 349.475 3.003 20 5 EGBDRO Cc1cccc(C)c1NC(=O)C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449218194 310045398 /nfs/dbraw/zinc/04/53/98/310045398.db2.gz GFQGXAJLKNCEFB-OAHLLOKOSA-N 1 0 341.411 3.371 20 5 EGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1COc2ccc(F)cc2C1 ZINC000449329410 310053947 /nfs/dbraw/zinc/05/39/47/310053947.db2.gz OCYVBNRLBJKZHK-MLGOLLRUSA-N 1 0 330.359 3.258 20 5 EGBDRO CCC1([NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)CC1 ZINC000449413368 310060000 /nfs/dbraw/zinc/06/00/00/310060000.db2.gz IEMDIFFAWKHBFF-UHFFFAOYSA-N 1 0 346.168 3.232 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1CN(C)Cc1ncc(C)c(OC)c1C ZINC000451373168 310174692 /nfs/dbraw/zinc/17/46/92/310174692.db2.gz ZEMGWELLQMNDCZ-UHFFFAOYSA-N 1 0 345.399 3.256 20 5 EGBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2CCC23CCCC3)c([N+](=O)[O-])c1 ZINC000451451705 310179144 /nfs/dbraw/zinc/17/91/44/310179144.db2.gz BFRMBBRLWVKBIL-BLLLJJGKSA-N 1 0 347.415 3.243 20 5 EGBDRO CCOc1ccc(NC(=O)C[NH2+][C@H]2CCC23CCCC3)c([N+](=O)[O-])c1 ZINC000451459559 310179402 /nfs/dbraw/zinc/17/94/02/310179402.db2.gz QQEHOSCIYLOVAL-INIZCTEOSA-N 1 0 347.415 3.244 20 5 EGBDRO COc1cncc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000451545974 310184916 /nfs/dbraw/zinc/18/49/16/310184916.db2.gz IJSLGPBJISKPSA-MRXNPFEDSA-N 1 0 327.384 3.378 20 5 EGBDRO COc1ccc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)nc1 ZINC000451552111 310185968 /nfs/dbraw/zinc/18/59/68/310185968.db2.gz VQRQOUPIJLWZPI-OAHLLOKOSA-N 1 0 327.384 3.378 20 5 EGBDRO CO[C@@H]1CCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@@H]1C ZINC000451566329 310186815 /nfs/dbraw/zinc/18/68/15/310186815.db2.gz MAQSPVLKODCDNQ-IINYFYTJSA-N 1 0 332.322 3.470 20 5 EGBDRO CCO[C@@H]1CCC[C@H]1[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000452009607 310207331 /nfs/dbraw/zinc/20/73/31/310207331.db2.gz CXJXDQWVUSNGQU-HZPDHXFCSA-N 1 0 345.399 3.340 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)CCCc1cccnc1 ZINC000453115206 310258840 /nfs/dbraw/zinc/25/88/40/310258840.db2.gz WOAFAGJPVOBPSK-AWEZNQCLSA-N 1 0 329.400 3.499 20 5 EGBDRO CC[C@H]([NH2+][C@H]1CCO[C@@H](c2ccnn2C)C1)c1cccc([N+](=O)[O-])c1 ZINC000453353658 310272527 /nfs/dbraw/zinc/27/25/27/310272527.db2.gz QSKWTOJLTVZBPP-QILLFSRXSA-N 1 0 344.415 3.289 20 5 EGBDRO COc1cccnc1C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000453356313 310272679 /nfs/dbraw/zinc/27/26/79/310272679.db2.gz IDDILKDXBUDAEC-HNNXBMFYSA-N 1 0 327.384 3.109 20 5 EGBDRO CCC[C@H]([NH2+][C@@H]1C[C@@H]2CCCCN2C1=O)c1cccc([N+](=O)[O-])c1 ZINC000453433735 310277036 /nfs/dbraw/zinc/27/70/36/310277036.db2.gz KLQRVNPTEAYOKB-BHYGNILZSA-N 1 0 331.416 3.179 20 5 EGBDRO Cc1ccc(C[C@@H](CO)[NH2+]Cc2ccc([N+](=O)[O-])cc2F)cc1C ZINC000453622146 310285080 /nfs/dbraw/zinc/28/50/80/310285080.db2.gz JGRSBOZYFWKGDO-INIZCTEOSA-N 1 0 332.375 3.044 20 5 EGBDRO C[C@H](NC(=O)NC[C@H](C)[NH+]1CCC(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000454629855 310321104 /nfs/dbraw/zinc/32/11/04/310321104.db2.gz JUUPVCIUCRSAMM-GJZGRUSLSA-N 1 0 348.447 3.075 20 5 EGBDRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000454943580 310336801 /nfs/dbraw/zinc/33/68/01/310336801.db2.gz PAXDONWTEFTORG-CQSZACIVSA-N 1 0 334.420 3.160 20 5 EGBDRO CC[C@@H](C(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)[NH+](CC)CC ZINC000456140018 310390304 /nfs/dbraw/zinc/39/03/04/310390304.db2.gz LGJZXLRFNUVWKC-WMZOPIPTSA-N 1 0 347.459 3.421 20 5 EGBDRO C[NH+](C)CCCC(C)(C)NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000456203533 310393339 /nfs/dbraw/zinc/39/33/39/310393339.db2.gz NSRVXRBAHILCOW-UHFFFAOYSA-N 1 0 348.447 3.019 20 5 EGBDRO Cc1ccc([C@H](C)NC(=O)NC(C)(C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000458517310 310507770 /nfs/dbraw/zinc/50/77/70/310507770.db2.gz SIOHRBYDLUVWDK-AWEZNQCLSA-N 1 0 348.447 3.138 20 5 EGBDRO C[C@@H]([NH2+]CC1(N(C)C)Cc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000467855336 310678864 /nfs/dbraw/zinc/67/88/64/310678864.db2.gz YJUZBXFDALUEMS-OAHLLOKOSA-N 1 0 339.439 3.345 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CCOC2(CCOCC2)C1 ZINC000469117088 310699731 /nfs/dbraw/zinc/69/97/31/310699731.db2.gz WAFDJGMDDQTIEI-JMPLCFMRSA-N 1 0 346.427 3.316 20 5 EGBDRO C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000481125694 310906756 /nfs/dbraw/zinc/90/67/56/310906756.db2.gz LMKTYXFVSFXHAL-RBSFLKMASA-N 1 0 336.432 3.139 20 5 EGBDRO CN(c1ccccc1)c1ccc(C[NH2+]CCCCO)cc1[N+](=O)[O-] ZINC000487173397 311013433 /nfs/dbraw/zinc/01/34/33/311013433.db2.gz UYKXEQNCHNOIMM-UHFFFAOYSA-N 1 0 329.400 3.225 20 5 EGBDRO CCOc1cccc(N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000488752377 311078399 /nfs/dbraw/zinc/07/83/99/311078399.db2.gz KLCCADDBJJLFQR-SQWLQELKSA-N 1 0 333.432 3.160 20 5 EGBDRO CCOc1cccc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000488752704 311078432 /nfs/dbraw/zinc/07/84/32/311078432.db2.gz OXUDYIYFNWDEBA-CQSZACIVSA-N 1 0 333.432 3.304 20 5 EGBDRO C[NH+](C)CCc1ccc(NC(=O)/C=C\c2cccc([N+](=O)[O-])c2)cc1 ZINC000491461907 311180581 /nfs/dbraw/zinc/18/05/81/311180581.db2.gz DWIDKVLAVPHQOS-FLIBITNWSA-N 1 0 339.395 3.351 20 5 EGBDRO CCCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000492818401 311294730 /nfs/dbraw/zinc/29/47/30/311294730.db2.gz NYKZDBVVVXLLET-BZUAXINKSA-N 1 0 336.432 3.283 20 5 EGBDRO CC(C)(C)[N@@H+]1CCCN(C(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000492855241 311299338 /nfs/dbraw/zinc/29/93/38/311299338.db2.gz SKNGYBJBAPNLNZ-VURMDHGXSA-N 1 0 349.406 3.080 20 5 EGBDRO C[C@@H](CCNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000499328932 311905205 /nfs/dbraw/zinc/90/52/05/311905205.db2.gz PFSZKVZKPONCTK-HNNXBMFYSA-N 1 0 347.459 3.253 20 5 EGBDRO CC[NH+](CC)C[C@@H](C)NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000501255905 311941496 /nfs/dbraw/zinc/94/14/96/311941496.db2.gz DKGDJLKGFDXMMA-CYBMUJFWSA-N 1 0 335.448 3.352 20 5 EGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@](C)(O)C(C)C ZINC000504906307 312012013 /nfs/dbraw/zinc/01/20/13/312012013.db2.gz WGWCTHBWQKHBPF-BBRMVZONSA-N 1 0 326.462 3.462 20 5 EGBDRO CC[NH+]1CCN(Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)CC1 ZINC000505326252 312019812 /nfs/dbraw/zinc/01/98/12/312019812.db2.gz MKHDTXTYDRCOIY-UHFFFAOYSA-N 1 0 345.399 3.001 20 5 EGBDRO COc1cccc(C2([NH2+]CCOc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000510123642 312133747 /nfs/dbraw/zinc/13/37/47/312133747.db2.gz KTYPRBPDURLPOI-UHFFFAOYSA-N 1 0 328.368 3.261 20 5 EGBDRO C[C@H](C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000514834592 312247767 /nfs/dbraw/zinc/24/77/67/312247767.db2.gz JHLGNHANPIZMJS-HOCLYGCPSA-N 1 0 333.432 3.031 20 5 EGBDRO CC1CC[NH+](CCCNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000523486253 312623028 /nfs/dbraw/zinc/62/30/28/312623028.db2.gz AXZJQHLATOOGOK-UHFFFAOYSA-N 1 0 347.459 3.111 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](CO)Cc1ccco1 ZINC000530341880 313521715 /nfs/dbraw/zinc/52/17/15/313521715.db2.gz WATITCQQYAQONB-FCONWMNKSA-N 1 0 330.384 3.032 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@H](N2CCCC2=O)C1 ZINC000537609610 314195876 /nfs/dbraw/zinc/19/58/76/314195876.db2.gz DZYGIGXZPHWHQB-ZBFHGGJFSA-N 1 0 331.416 3.051 20 5 EGBDRO COc1cccc([C@@H](C)[NH2+]CC(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 ZINC000538130029 314228229 /nfs/dbraw/zinc/22/82/29/314228229.db2.gz PZZXGQDFXWXKGS-CYBMUJFWSA-N 1 0 343.383 3.201 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000539840035 314344717 /nfs/dbraw/zinc/34/47/17/314344717.db2.gz DPVQNCOQEUYZNJ-UHFFFAOYSA-N 1 0 347.459 3.466 20 5 EGBDRO Cc1cc(N[C@@H]2CCO[C@@H](C(C)C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000542120998 314518589 /nfs/dbraw/zinc/51/85/89/314518589.db2.gz JOWQOBFNWBBTDG-FZKQIMNGSA-N 1 0 329.400 3.489 20 5 EGBDRO Cc1cc(N[C@@H]2CCO[C@H](C(C)C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000542120997 314518659 /nfs/dbraw/zinc/51/86/59/314518659.db2.gz JOWQOBFNWBBTDG-ACJLOTCBSA-N 1 0 329.400 3.489 20 5 EGBDRO CCC[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000548487989 315016261 /nfs/dbraw/zinc/01/62/61/315016261.db2.gz KQNNHIVZRGWGST-ZFWWWQNUSA-N 1 0 349.431 3.490 20 5 EGBDRO C[C@@H](C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000562300308 315815422 /nfs/dbraw/zinc/81/54/22/315815422.db2.gz QAWBFYWRLKKSAP-CZUORRHYSA-N 1 0 335.448 3.181 20 5 EGBDRO O=C(CC1CCCCC1)NCC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000564667977 316185517 /nfs/dbraw/zinc/18/55/17/316185517.db2.gz OKHKYKBPCWNTFT-KRWDZBQOSA-N 1 0 345.443 3.258 20 5 EGBDRO C[NH+]1CCC(CN[C@@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)CC1 ZINC000565838409 316377279 /nfs/dbraw/zinc/37/72/79/316377279.db2.gz MXUJUGLGZPRJQE-AWEZNQCLSA-N 1 0 331.338 3.130 20 5 EGBDRO C[C@@H]([NH2+]C[C@@H]1CN(c2ccccc2)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000566417406 316471442 /nfs/dbraw/zinc/47/14/42/316471442.db2.gz XTMFUQOACJPGJR-DNVCBOLYSA-N 1 0 341.411 3.151 20 5 EGBDRO C[C@@H](Cc1cccs1)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000571874641 317259989 /nfs/dbraw/zinc/25/99/89/317259989.db2.gz BNNMAVFUOYTZAC-LBPRGKRZSA-N 1 0 333.413 3.206 20 5 EGBDRO COc1ccc(CN2CCC=C(c3ccccn3)C2)cc1[N+](=O)[O-] ZINC000571936636 317268155 /nfs/dbraw/zinc/26/81/55/317268155.db2.gz CYDWKYSZBCIDJT-UHFFFAOYSA-N 1 0 325.368 3.288 20 5 EGBDRO CC[NH+]1CCC(CNC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000572453682 317340090 /nfs/dbraw/zinc/34/00/90/317340090.db2.gz KKPVXNOOFOCMTM-UHFFFAOYSA-N 1 0 334.420 3.065 20 5 EGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCc1ccc2c(c1)OCCO2 ZINC000572661865 317371741 /nfs/dbraw/zinc/37/17/41/317371741.db2.gz UUCYJPCTMNSSKF-MRXNPFEDSA-N 1 0 340.379 3.186 20 5 EGBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000572796298 317392417 /nfs/dbraw/zinc/39/24/17/317392417.db2.gz CWTVTFXTLRLFBA-QBPKDAKJSA-N 1 0 348.443 3.283 20 5 EGBDRO CCOC1(C[NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)CCCC1 ZINC000573621380 317509809 /nfs/dbraw/zinc/50/98/09/317509809.db2.gz XIZIHGQBGPVQJP-AWEZNQCLSA-N 1 0 349.431 3.251 20 5 EGBDRO Cc1cc(NC(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)ccc1[N+](=O)[O-] ZINC000574620716 317618011 /nfs/dbraw/zinc/61/80/11/317618011.db2.gz AVIQYGQVXLTGAZ-MRXNPFEDSA-N 1 0 346.431 3.145 20 5 EGBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000284223283 455652831 /nfs/dbraw/zinc/65/28/31/455652831.db2.gz ZXCANHWZNNHSSA-SNVBAGLBSA-N 1 0 328.800 3.100 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000175269675 323316334 /nfs/dbraw/zinc/31/63/34/323316334.db2.gz DTEKVVRFZRERQP-MRXNPFEDSA-N 1 0 347.459 3.301 20 5 EGBDRO Cc1cnc([C@H]([NH2+]CCOc2cccc([N+](=O)[O-])c2)C2CC2)s1 ZINC000185342761 323698149 /nfs/dbraw/zinc/69/81/49/323698149.db2.gz HWPVPKPBVDPLFU-OAHLLOKOSA-N 1 0 333.413 3.479 20 5 EGBDRO C[C@@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc(NC(N)=O)cc1 ZINC000578026354 324906135 /nfs/dbraw/zinc/90/61/35/324906135.db2.gz QNXUJSBPNSBPMH-BDJLRTHQSA-N 1 0 340.383 3.424 20 5 EGBDRO C[C@H](C[N@H+](C)Cc1ccccc1)Nc1ccc([N+](=O)[O-])c(N)c1F ZINC000578692992 325004227 /nfs/dbraw/zinc/00/42/27/325004227.db2.gz PBFYBEMPHPHOEE-GFCCVEGCSA-N 1 0 332.379 3.249 20 5 EGBDRO CO[C@@]1(C)C[C@@H]([N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1(C)C ZINC000579551111 325124625 /nfs/dbraw/zinc/12/46/25/325124625.db2.gz CDAYNVSDGWPGPC-PBHICJAKSA-N 1 0 332.404 3.107 20 5 EGBDRO CC[N@H+](CC1CC1)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000157917953 455248398 /nfs/dbraw/zinc/24/83/98/455248398.db2.gz VPSBDXGNUAMNQW-SNVBAGLBSA-N 1 0 325.796 3.307 20 5 EGBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)c1 ZINC000264658120 455257152 /nfs/dbraw/zinc/25/71/52/455257152.db2.gz YCRQIJLPYXBHIF-ZDUSSCGKSA-N 1 0 349.456 3.017 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H]2CCC[C@H]21 ZINC000245450232 455304672 /nfs/dbraw/zinc/30/46/72/455304672.db2.gz OKEPBLHKSRVIJR-RHSMWYFYSA-N 1 0 331.416 3.496 20 5 EGBDRO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cccs1 ZINC000015171285 453561392 /nfs/dbraw/zinc/56/13/92/453561392.db2.gz DLAUIAXXGNMPQU-CYBMUJFWSA-N 1 0 336.373 3.279 20 5 EGBDRO Cc1ccccc1C[N@@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000016585865 453613978 /nfs/dbraw/zinc/61/39/78/453613978.db2.gz JUDXUERNFBWNNK-AWEZNQCLSA-N 1 0 327.384 3.362 20 5 EGBDRO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000018019285 453641391 /nfs/dbraw/zinc/64/13/91/453641391.db2.gz AHTMZYMQPWGQNM-GOSISDBHSA-N 1 0 339.395 3.162 20 5 EGBDRO C[C@@H]1C[NH+](CCCNc2ccc([N+](=O)[O-])c3cccnc23)C[C@@H](C)O1 ZINC000024201601 453728011 /nfs/dbraw/zinc/72/80/11/453728011.db2.gz ZTZJTLFJLPONGL-ZIAGYGMSSA-N 1 0 344.415 3.054 20 5 EGBDRO C[C@@H]1C[N@@H+](CCCNc2ccc([N+](=O)[O-])c3cccnc23)C[C@H](C)O1 ZINC000024201606 453728211 /nfs/dbraw/zinc/72/82/11/453728211.db2.gz ZTZJTLFJLPONGL-OKILXGFUSA-N 1 0 344.415 3.054 20 5 EGBDRO C[C@@H]1c2ccsc2CC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000025700782 453783341 /nfs/dbraw/zinc/78/33/41/453783341.db2.gz VKKPUBRTLPIQLD-TZMCWYRMSA-N 1 0 348.424 3.015 20 5 EGBDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000075475947 453896540 /nfs/dbraw/zinc/89/65/40/453896540.db2.gz FBUQDUQXCNPVEW-NRMKIYEFSA-N 1 0 333.432 3.235 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000067140078 453905923 /nfs/dbraw/zinc/90/59/23/453905923.db2.gz JGVNHQVOSVYTMX-QGZVFWFLSA-N 1 0 345.374 3.075 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000067165525 453908527 /nfs/dbraw/zinc/90/85/27/453908527.db2.gz XZDBSBWNVNFVMU-HUUCEWRRSA-N 1 0 347.459 3.391 20 5 EGBDRO COc1cc(C[N@@H+]2C[C@H](C)[C@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000076110842 453965399 /nfs/dbraw/zinc/96/53/99/453965399.db2.gz LWGXWAOSEKWVTG-AOOOYVTPSA-N 1 0 330.331 3.293 20 5 EGBDRO O=[N+]([O-])c1ccccc1CN1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000055504405 453990164 /nfs/dbraw/zinc/99/01/64/453990164.db2.gz PPTFWASPBQGHOG-UHFFFAOYSA-N 1 0 343.402 3.442 20 5 EGBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000042909308 454031278 /nfs/dbraw/zinc/03/12/78/454031278.db2.gz XDCVSXYJVWRPFO-UHFFFAOYSA-N 1 0 348.447 3.045 20 5 EGBDRO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)NC1CCC(C)CC1 ZINC000056195917 454043465 /nfs/dbraw/zinc/04/34/65/454043465.db2.gz LAJRTUBEVUTDQY-WJEHIRDRSA-N 1 0 333.432 3.329 20 5 EGBDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000087120717 454063949 /nfs/dbraw/zinc/06/39/49/454063949.db2.gz GYVYPNTVPZQCRP-INIZCTEOSA-N 1 0 347.459 3.298 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+](C)CC1CCCCC1 ZINC000043999852 454085612 /nfs/dbraw/zinc/08/56/12/454085612.db2.gz NRKFJGZLWWDKRS-CYBMUJFWSA-N 1 0 349.431 3.443 20 5 EGBDRO Cc1ccc(C(=O)N(CC[NH+](C)C)C2CCCCC2)cc1[N+](=O)[O-] ZINC000077542849 454120376 /nfs/dbraw/zinc/12/03/76/454120376.db2.gz TVVWPJKOFLGMST-UHFFFAOYSA-N 1 0 333.432 3.240 20 5 EGBDRO Cc1ccc(NC(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000045951417 454200259 /nfs/dbraw/zinc/20/02/59/454200259.db2.gz PBNRKHIYKFMAQR-KBPBESRZSA-N 1 0 334.420 3.288 20 5 EGBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@H]2c2ccsc2)c1 ZINC000058581318 454217968 /nfs/dbraw/zinc/21/79/68/454217968.db2.gz SOVFZLGQYQHBOP-RDJZCZTQSA-N 1 0 348.424 3.233 20 5 EGBDRO C[C@H](CNc1ncnc2cccc([N+](=O)[O-])c21)C[NH+]1CCCCC1 ZINC000095468697 454218531 /nfs/dbraw/zinc/21/85/31/454218531.db2.gz ZDJNJEBPEMFXNB-CYBMUJFWSA-N 1 0 329.404 3.072 20 5 EGBDRO COc1cc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)ccc1O ZINC000089971997 454248909 /nfs/dbraw/zinc/24/89/09/454248909.db2.gz XVOJKBDKOCVVEE-UHFFFAOYSA-N 1 0 328.368 3.474 20 5 EGBDRO COC1(CNc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)CCOCC1 ZINC000096008534 454261548 /nfs/dbraw/zinc/26/15/48/454261548.db2.gz OBHOKNLWGSCPSZ-UHFFFAOYSA-N 1 0 331.372 3.059 20 5 EGBDRO Cc1ccnc(N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000078674896 454296896 /nfs/dbraw/zinc/29/68/96/454296896.db2.gz RRTAEUGZIQKIHX-QGZVFWFLSA-N 1 0 340.427 3.257 20 5 EGBDRO CC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000132085440 454312441 /nfs/dbraw/zinc/31/24/41/454312441.db2.gz RXOLEBMRXXRYNO-UHFFFAOYSA-N 1 0 327.384 3.446 20 5 EGBDRO CSC[C@](C)(O)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000120634057 454328233 /nfs/dbraw/zinc/32/82/33/454328233.db2.gz PKOAYJFNLPJISP-MRXNPFEDSA-N 1 0 336.413 3.058 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000097145770 454416825 /nfs/dbraw/zinc/41/68/25/454416825.db2.gz SYWSMZRROFKDSP-GOEBONIOSA-N 1 0 346.431 3.160 20 5 EGBDRO Cc1ccc([C@H](C)[N@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000047959925 454424494 /nfs/dbraw/zinc/42/44/94/454424494.db2.gz FLMBGRUVNFLBQT-YJBOKZPZSA-N 1 0 344.411 3.336 20 5 EGBDRO C[C@@H]1CCCN(C(=O)C2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)C1 ZINC000048046614 454435859 /nfs/dbraw/zinc/43/58/59/454435859.db2.gz YJEHTDDUUPJRQU-OAHLLOKOSA-N 1 0 345.443 3.065 20 5 EGBDRO Cc1nc(NCc2ccc(OCCC[NH+](C)C)cc2)ccc1[N+](=O)[O-] ZINC000134185066 454513198 /nfs/dbraw/zinc/51/31/98/454513198.db2.gz BUIKDDREAPYFBL-UHFFFAOYSA-N 1 0 344.415 3.241 20 5 EGBDRO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1cc3cc([N+](=O)[O-])ccc3s1)C2 ZINC000073989288 454514618 /nfs/dbraw/zinc/51/46/18/454514618.db2.gz GFWVBZHUEXCHSQ-GXTWGEPZSA-N 1 0 345.424 3.118 20 5 EGBDRO Cc1ccccc1OCC[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000065209087 454537837 /nfs/dbraw/zinc/53/78/37/454537837.db2.gz FEQKPGZZRGSEIO-UHFFFAOYSA-N 1 0 330.384 3.293 20 5 EGBDRO Cc1ccc(NC(=O)NC[C@H](C)[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000065302486 454550235 /nfs/dbraw/zinc/55/02/35/454550235.db2.gz NEDOABFGQSJGHN-AWEZNQCLSA-N 1 0 334.420 3.145 20 5 EGBDRO CS[C@H]1CCCC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000134556875 454560022 /nfs/dbraw/zinc/56/00/22/454560022.db2.gz QOHWXBSETFKVFW-AWEZNQCLSA-N 1 0 348.428 3.362 20 5 EGBDRO C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)C[N@@H+]1C1CC1 ZINC000092672225 454607077 /nfs/dbraw/zinc/60/70/77/454607077.db2.gz UKCJIYMFUHDGQI-MWLCHTKSSA-N 1 0 327.331 3.233 20 5 EGBDRO CC[C@H]1C[C@@H](C)C[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000080747820 454627392 /nfs/dbraw/zinc/62/73/92/454627392.db2.gz ANIOOWDWZHRZOP-OLZOCXBDSA-N 1 0 335.404 3.052 20 5 EGBDRO Cc1cc(N2CCC(C[NH+]3CCCCCC3)CC2)ncc1[N+](=O)[O-] ZINC000074740531 454627785 /nfs/dbraw/zinc/62/77/85/454627785.db2.gz DXAWVTRVZCQBBW-UHFFFAOYSA-N 1 0 332.448 3.391 20 5 EGBDRO Cc1c(C[N@H+]2CCC[C@H](Cc3nccn3C)C2)cccc1[N+](=O)[O-] ZINC000123642624 454661263 /nfs/dbraw/zinc/66/12/63/454661263.db2.gz XULCJBUUCAIJRL-OAHLLOKOSA-N 1 0 328.416 3.091 20 5 EGBDRO COc1cc(C[NH+]2CCc3ccccc3CC2)c([N+](=O)[O-])cc1OC ZINC000093385333 454709471 /nfs/dbraw/zinc/70/94/71/454709471.db2.gz KBGKOYZPGGMKHV-UHFFFAOYSA-N 1 0 342.395 3.213 20 5 EGBDRO COCC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H]1CC[C@H](C)C1 ZINC000616873171 460650034 /nfs/dbraw/zinc/65/00/34/460650034.db2.gz WUDXPUQMMPYHKC-QWHCGFSZSA-N 1 0 333.388 3.373 20 5 EGBDRO CCC[N@H+](C)C[C@@H]1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000176271688 454721105 /nfs/dbraw/zinc/72/11/05/454721105.db2.gz NEPLTBQFNMJMAR-ZDUSSCGKSA-N 1 0 325.840 3.412 20 5 EGBDRO NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000162000728 454744351 /nfs/dbraw/zinc/74/43/51/454744351.db2.gz YNOQWLULNLAYAG-OAHLLOKOSA-N 1 0 345.424 3.163 20 5 EGBDRO C[NH+](C)C1(CNC(=O)c2c(F)cccc2[N+](=O)[O-])CCCCCC1 ZINC000600948006 460654931 /nfs/dbraw/zinc/65/49/31/460654931.db2.gz PRRWGBRDMKXBCV-UHFFFAOYSA-N 1 0 337.395 3.118 20 5 EGBDRO CC[C@@H](C)C[N@H+](CC)[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000160552896 455474123 /nfs/dbraw/zinc/47/41/23/455474123.db2.gz ISYHZRHGNVJWTO-OLZOCXBDSA-N 1 0 337.420 3.298 20 5 EGBDRO CCCC[NH+]1CCC(NC(=O)Nc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000153723890 454825645 /nfs/dbraw/zinc/82/56/45/454825645.db2.gz ROIQNEKSLRFCCB-UHFFFAOYSA-N 1 0 334.420 3.289 20 5 EGBDRO CCOC(=O)N1CCC([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000125687640 454839162 /nfs/dbraw/zinc/83/91/62/454839162.db2.gz YUBQLVNAHLISRU-ZDUSSCGKSA-N 1 0 335.404 3.175 20 5 EGBDRO Cc1c(C[NH+]2CCC(OC[C@@H]3CCCO3)CC2)cccc1[N+](=O)[O-] ZINC000177458997 454866526 /nfs/dbraw/zinc/86/65/26/454866526.db2.gz UUDLLJAQVURIFW-KRWDZBQOSA-N 1 0 334.416 3.063 20 5 EGBDRO CC[C@H](C)[C@@H](O)C[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000112381135 454885901 /nfs/dbraw/zinc/88/59/01/454885901.db2.gz MNSFFOGZNGQFLD-SJCJKPOMSA-N 1 0 348.399 3.360 20 5 EGBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000150795677 454893766 /nfs/dbraw/zinc/89/37/66/454893766.db2.gz WGNXHOUODPATSU-JEJOPICUSA-N 1 0 343.427 3.085 20 5 EGBDRO C[C@H]([NH2+]C1CCC(O)(c2cccnc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000185010643 455486054 /nfs/dbraw/zinc/48/60/54/455486054.db2.gz WINTXLFFGYYAHM-STJZUHDESA-N 1 0 341.411 3.471 20 5 EGBDRO C[C@H]([NH2+]C[C@@H](Cc1ccccc1)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000154970485 454949995 /nfs/dbraw/zinc/94/99/95/454949995.db2.gz IYUZAGCLWXHIJI-HNAYVOBHSA-N 1 0 327.428 3.418 20 5 EGBDRO COc1cccc2c1OC[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)C2 ZINC000178653918 454966548 /nfs/dbraw/zinc/96/65/48/454966548.db2.gz HHYZTXYTSDDQKX-DOMZBBRYSA-N 1 0 328.368 3.258 20 5 EGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@@H]1CCO[C@]2(CCSC2)C1 ZINC000151391653 454978576 /nfs/dbraw/zinc/97/85/76/454978576.db2.gz TVMQWSBJQQOWCP-UKRRQHHQSA-N 1 0 342.848 3.393 20 5 EGBDRO CC(C)CN(CC[NH+](C)C)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000171565158 455078384 /nfs/dbraw/zinc/07/83/84/455078384.db2.gz LJPVCWXYHGLNPH-UHFFFAOYSA-N 1 0 349.456 3.469 20 5 EGBDRO C[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000180437296 455170394 /nfs/dbraw/zinc/17/03/94/455170394.db2.gz FTVJISZSJOJLQC-LBPRGKRZSA-N 1 0 331.328 3.233 20 5 EGBDRO COc1ccc(NC(=O)C[NH2+][C@H](C)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000182938898 455194841 /nfs/dbraw/zinc/19/48/41/455194841.db2.gz LSOQXWIMLYXBAT-GFCCVEGCSA-N 1 0 335.404 3.100 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H](C)[C@H]1C ZINC000172860812 455197962 /nfs/dbraw/zinc/19/79/62/455197962.db2.gz HVILLHFTRWVEFQ-QWHCGFSZSA-N 1 0 335.404 3.052 20 5 EGBDRO Cc1ccc([C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)N2CCCC2)o1 ZINC000237632218 455200487 /nfs/dbraw/zinc/20/04/87/455200487.db2.gz YUDBZPMVRAABTI-KRWDZBQOSA-N 1 0 329.400 3.423 20 5 EGBDRO CN(C(=O)C[NH+]1CCC2(CCCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000158374455 455297574 /nfs/dbraw/zinc/29/75/74/455297574.db2.gz FFJJHYGYPQAEBQ-UHFFFAOYSA-N 1 0 331.416 3.214 20 5 EGBDRO Cc1cc(NCCCOC[C@H]2CCOC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000181506078 455345199 /nfs/dbraw/zinc/34/51/99/455345199.db2.gz XSLMMBKPHQFIAK-CQSZACIVSA-N 1 0 345.399 3.307 20 5 EGBDRO COc1cc(C[N@H+](C)C[C@H](C)c2nccs2)c([N+](=O)[O-])cc1F ZINC000184404350 455377647 /nfs/dbraw/zinc/37/76/47/455377647.db2.gz ASKRNGGFDMJOEJ-JTQLQIEISA-N 1 0 339.392 3.435 20 5 EGBDRO Cc1ccccc1CNC(=O)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181821608 455385927 /nfs/dbraw/zinc/38/59/27/455385927.db2.gz NXZGCMZZPYKSRV-OAHLLOKOSA-N 1 0 341.411 3.179 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCOCC(F)F)o1 ZINC000190894300 455398928 /nfs/dbraw/zinc/39/89/28/455398928.db2.gz MAUBVHZWXNRMRZ-UHFFFAOYSA-N 1 0 326.299 3.226 20 5 EGBDRO NC(=O)C[C@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])C1CCCCC1 ZINC000181987990 455411041 /nfs/dbraw/zinc/41/10/41/455411041.db2.gz LCYKEAPZKPGIKY-AWEZNQCLSA-N 1 0 339.823 3.162 20 5 EGBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCCC[N@@H+]1CC ZINC000184779116 455446498 /nfs/dbraw/zinc/44/64/98/455446498.db2.gz QHPRBMFDKDGHSG-AEFFLSMTSA-N 1 0 347.459 3.154 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+]C1(c2ccccc2)CC1 ZINC000266750773 455447143 /nfs/dbraw/zinc/44/71/43/455447143.db2.gz PUCZPZWWIUFMQD-UHFFFAOYSA-N 1 0 325.368 3.121 20 5 EGBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000182200322 455460027 /nfs/dbraw/zinc/46/00/27/455460027.db2.gz JWDBVEKXIAFROJ-IRXDYDNUSA-N 1 0 342.395 3.172 20 5 EGBDRO Cc1ccc(C(=O)N(CC[NH+](C)C)Cc2cccs2)cc1[N+](=O)[O-] ZINC000175662179 455479293 /nfs/dbraw/zinc/47/92/93/455479293.db2.gz BXWJHJDUXKWWSZ-UHFFFAOYSA-N 1 0 347.440 3.169 20 5 EGBDRO COc1ccc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1[N+](=O)[O-] ZINC000246864102 455531252 /nfs/dbraw/zinc/53/12/52/455531252.db2.gz PTBNGIWJAGJKDN-RDJZCZTQSA-N 1 0 345.443 3.052 20 5 EGBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000268141386 455600160 /nfs/dbraw/zinc/60/01/60/455600160.db2.gz DMAAFMLOWVMNFI-QMTHXVAHSA-N 1 0 345.424 3.022 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CC3(CO)CCCC3)cs2)c1 ZINC000185801315 455623683 /nfs/dbraw/zinc/62/36/83/455623683.db2.gz VGNIHHWPJBAYLQ-UHFFFAOYSA-N 1 0 347.440 3.361 20 5 EGBDRO C[C@@H]([NH2+][C@H]1CCN(Cc2ccccc2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000271419847 455630197 /nfs/dbraw/zinc/63/01/97/455630197.db2.gz BMEHQXKKBUQFGY-KDOFPFPSSA-N 1 0 339.395 3.047 20 5 EGBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000192547466 455640512 /nfs/dbraw/zinc/64/05/12/455640512.db2.gz LKOKLDQFGZPOLB-INIZCTEOSA-N 1 0 349.479 3.068 20 5 EGBDRO C[C@@H]1CN(CCCOc2ccc([N+](=O)[O-])cc2)CC[N@@H+](C2CCC2)C1 ZINC000292400404 455651364 /nfs/dbraw/zinc/65/13/64/455651364.db2.gz SZJFDJZJKVALFA-MRXNPFEDSA-N 1 0 347.459 3.170 20 5 EGBDRO CC[C@H](NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000271493891 455659297 /nfs/dbraw/zinc/65/92/97/455659297.db2.gz KVZHCZTXESYTSQ-GBESFXJTSA-N 1 0 347.459 3.013 20 5 EGBDRO CCN(CC)C(=O)CCC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192675071 455667092 /nfs/dbraw/zinc/66/70/92/455667092.db2.gz YFOAJJRLHIUMNW-KRWDZBQOSA-N 1 0 333.432 3.210 20 5 EGBDRO C[C@H]1C[C@@H](C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CCO1 ZINC000271530220 455674181 /nfs/dbraw/zinc/67/41/81/455674181.db2.gz RGRXJENUZGHBOA-QWRGUYRKSA-N 1 0 330.331 3.101 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@H](O)c1ccccc1F)CCC2 ZINC000192711836 455675937 /nfs/dbraw/zinc/67/59/37/455675937.db2.gz MAMOEWVSDQNUAG-ROUUACIJSA-N 1 0 330.359 3.435 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248197947 455696557 /nfs/dbraw/zinc/69/65/57/455696557.db2.gz XRPMQAXQOVAWDM-MAUKXSAKSA-N 1 0 347.459 3.298 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(-n3cncn3)cc1)CCC2 ZINC000192829644 455702427 /nfs/dbraw/zinc/70/24/27/455702427.db2.gz NREAQWJBOSIZON-IBGZPJMESA-N 1 0 349.394 3.343 20 5 EGBDRO O=[N+]([O-])c1ccccc1CC[NH2+]C1CCN(c2ccccc2)CC1 ZINC000268928239 455733133 /nfs/dbraw/zinc/73/31/33/455733133.db2.gz LVCZBRDIAANAJI-UHFFFAOYSA-N 1 0 325.412 3.396 20 5 EGBDRO CCS[C@H]1CCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000284821321 455747959 /nfs/dbraw/zinc/74/79/59/455747959.db2.gz ABKIKSXWWJBBBB-JSGCOSHPSA-N 1 0 325.390 3.267 20 5 EGBDRO C[N@@H+]1CCC[C@@]2(CCN(c3ccc([N+](=O)[O-])c4cnccc43)C2)C1 ZINC000292763703 455751284 /nfs/dbraw/zinc/75/12/84/455751284.db2.gz KLSJPWIDSILWHR-GOSISDBHSA-N 1 0 326.400 3.065 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]CC1(CO)CCCC1 ZINC000186483127 455778303 /nfs/dbraw/zinc/77/83/03/455778303.db2.gz ROACNMLUXRTYKU-RDJZCZTQSA-N 1 0 332.444 3.448 20 5 EGBDRO CC(C)(C)[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000194287155 455823464 /nfs/dbraw/zinc/82/34/64/455823464.db2.gz OZDJHPCEHMYJGE-UHFFFAOYSA-N 1 0 339.823 3.241 20 5 EGBDRO C[C@H]1C[C@H](Nc2cc(C(F)(F)F)ncc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000278356816 455828124 /nfs/dbraw/zinc/82/81/24/455828124.db2.gz JYJCKZRULVIUON-IUCAKERBSA-N 1 0 330.310 3.046 20 5 EGBDRO COC(=O)N1CCC([C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000186760230 455833150 /nfs/dbraw/zinc/83/31/50/455833150.db2.gz BRGBNDRXIZZOBR-KGLIPLIRSA-N 1 0 349.431 3.421 20 5 EGBDRO CC[N@H+](C)Cc1cccc(CNC(=O)c2c(C)cccc2[N+](=O)[O-])c1 ZINC000194479265 455848366 /nfs/dbraw/zinc/84/83/66/455848366.db2.gz SAQGIKAARHBJEO-UHFFFAOYSA-N 1 0 341.411 3.285 20 5 EGBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CC1(O)CCCCCC1 ZINC000194760919 455880075 /nfs/dbraw/zinc/88/00/75/455880075.db2.gz DUWIKVGEJNTKKP-UHFFFAOYSA-N 1 0 337.376 3.020 20 5 EGBDRO CC1(C)[C@H]([NH2+]Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H]2CCO[C@H]21 ZINC000296320066 455908464 /nfs/dbraw/zinc/90/84/64/455908464.db2.gz QFWFCTHSCIQBMP-ARFHVFGLSA-N 1 0 343.383 3.153 20 5 EGBDRO CSc1ccc(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000285921671 455942734 /nfs/dbraw/zinc/94/27/34/455942734.db2.gz SYOQLVHKJZNLEV-TZMCWYRMSA-N 1 0 349.456 3.016 20 5 EGBDRO [NH3+]C1(c2noc(-c3csc(-c4cccc([N+](=O)[O-])c4)n3)n2)CCC1 ZINC000261983720 455980814 /nfs/dbraw/zinc/98/08/14/455980814.db2.gz RRSULTHCJDJGKD-UHFFFAOYSA-N 1 0 343.368 3.106 20 5 EGBDRO C[C@H]1CN(Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C[C@@H]1[NH3+] ZINC000261977754 455981575 /nfs/dbraw/zinc/98/15/75/455981575.db2.gz IVWSGTVPFABRHZ-YOEHRIQHSA-N 1 0 340.427 3.142 20 5 EGBDRO CC(=O)c1cc(N2CC[NH+](C3CCCCC3)CC2)ccc1[N+](=O)[O-] ZINC000286120241 455982887 /nfs/dbraw/zinc/98/28/87/455982887.db2.gz GQFOHVZQHCUTAX-UHFFFAOYSA-N 1 0 331.416 3.252 20 5 EGBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1c1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000286179272 455994174 /nfs/dbraw/zinc/99/41/74/455994174.db2.gz AJHZSRIKJDEQLP-WDEREUQCSA-N 1 0 344.337 3.072 20 5 EGBDRO CN(c1ccc([N+](=O)[O-])c(OC(F)F)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000286248577 456008518 /nfs/dbraw/zinc/00/85/18/456008518.db2.gz DRSDFGQUBWSCSJ-QYJAPNMZSA-N 1 0 341.358 3.258 20 5 EGBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1c1ccc([N+](=O)[O-])c2cnccc21 ZINC000286255857 456009429 /nfs/dbraw/zinc/00/94/29/456009429.db2.gz GHJNTFXQGWNDGP-UONOGXRCSA-N 1 0 326.400 3.206 20 5 EGBDRO C[C@H]([NH2+]CC(=O)NCCC1=CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000296689193 456010840 /nfs/dbraw/zinc/01/08/40/456010840.db2.gz JOIWGKFCLZMURY-AWEZNQCLSA-N 1 0 331.416 3.252 20 5 EGBDRO C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000280763072 456047523 /nfs/dbraw/zinc/04/75/23/456047523.db2.gz FPMGUXQHEQIHKP-LLVKDONJSA-N 1 0 342.321 3.031 20 5 EGBDRO O=[N+]([O-])c1ccc2nc(N3CCC[C@@H]([NH+]4CCCC4)C3)ccc2c1 ZINC000301295404 456082981 /nfs/dbraw/zinc/08/29/81/456082981.db2.gz YDJOCPQJCGGZCT-MRXNPFEDSA-N 1 0 326.400 3.208 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000297068136 456108159 /nfs/dbraw/zinc/10/81/59/456108159.db2.gz DHPCMQFTNVRTJA-SFHVURJKSA-N 1 0 346.431 3.161 20 5 EGBDRO CCOc1ccc([C@H](C)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000271106646 456127993 /nfs/dbraw/zinc/12/79/93/456127993.db2.gz GHTZPYOPWMGWFU-IMJJTQAJSA-N 1 0 333.432 3.271 20 5 EGBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2c3ccccc3C[C@@H]2O)cc1[N+](=O)[O-] ZINC000271144793 456139835 /nfs/dbraw/zinc/13/98/35/456139835.db2.gz OZPLEHIPRNLQJT-OYYNGEPBSA-N 1 0 342.395 3.302 20 5 EGBDRO CCOc1ccc([C@H](C)[NH2+]Cc2ccc(N(C)C)nc2)cc1[N+](=O)[O-] ZINC000271168700 456150862 /nfs/dbraw/zinc/15/08/62/456150862.db2.gz TVKXXYFVNPMAPP-ZDUSSCGKSA-N 1 0 344.415 3.305 20 5 EGBDRO CC(C)(C)c1ccc(C(=O)NC[C@@H]([NH3+])c2ccccc2)cc1[N+](=O)[O-] ZINC000236577610 456157114 /nfs/dbraw/zinc/15/71/14/456157114.db2.gz NBNMHMWIMIXHMG-MRXNPFEDSA-N 1 0 341.411 3.322 20 5 EGBDRO CCOC(=O)c1cc(N[C@@H]2CCC[C@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000301618536 456164001 /nfs/dbraw/zinc/16/40/01/456164001.db2.gz BKMXSYUBFNWOAS-OCCSQVGLSA-N 1 0 335.404 3.056 20 5 EGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)Cn1ccnc1 ZINC000271198950 456168978 /nfs/dbraw/zinc/16/89/78/456168978.db2.gz YUNSZXFXPHUKPC-KBPBESRZSA-N 1 0 334.445 3.340 20 5 EGBDRO COc1cc(N[C@@H]2CC[N@H+](CC3CCCC3)C2)c([N+](=O)[O-])cc1F ZINC000301660108 456176972 /nfs/dbraw/zinc/17/69/72/456176972.db2.gz XAHFYWINBMSVPM-CYBMUJFWSA-N 1 0 337.395 3.419 20 5 EGBDRO O=[N+]([O-])c1ccc(Br)cc1NC1CC[NH+](C2CC2)CC1 ZINC000301678364 456182789 /nfs/dbraw/zinc/18/27/89/456182789.db2.gz RAJSYRXRGKVCQT-UHFFFAOYSA-N 1 0 340.221 3.396 20 5 EGBDRO CN(C(=O)[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1)c1ccccc1 ZINC000281340025 456207057 /nfs/dbraw/zinc/20/70/57/456207057.db2.gz ZERWVCVIPAVZKP-MRXNPFEDSA-N 1 0 339.395 3.080 20 5 EGBDRO CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000263781539 456221875 /nfs/dbraw/zinc/22/18/75/456221875.db2.gz VNBUGUJFJFYHQD-HNNXBMFYSA-N 1 0 333.432 3.032 20 5 EGBDRO CCOc1ccc([C@@H](C)[NH2+]CCc2cccnc2OC)cc1[N+](=O)[O-] ZINC000290043349 456224103 /nfs/dbraw/zinc/22/41/03/456224103.db2.gz DQKZGJRFJQDHLY-CYBMUJFWSA-N 1 0 345.399 3.290 20 5 EGBDRO C[N@H+](CCCOCc1ccccc1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000281419379 456228036 /nfs/dbraw/zinc/22/80/36/456228036.db2.gz OPKBXAQYPSAMPC-IBGZPJMESA-N 1 0 344.411 3.167 20 5 EGBDRO COc1cc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc(OC)c1OC ZINC000237113532 456234977 /nfs/dbraw/zinc/23/49/77/456234977.db2.gz UCGKPBNHSNUYAK-UHFFFAOYSA-N 1 0 346.383 3.219 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1OC ZINC000237234630 456251419 /nfs/dbraw/zinc/25/14/19/456251419.db2.gz QBZKQJCACRTJCB-ZDUSSCGKSA-N 1 0 330.384 3.333 20 5 EGBDRO CC[N@H+]1C[C@@H](C)N(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H](C)C1 ZINC000347697315 456311155 /nfs/dbraw/zinc/31/11/55/456311155.db2.gz COHULBRYMHDVTB-OKILXGFUSA-N 1 0 344.415 3.164 20 5 EGBDRO C[C@H](NC(=O)NCCC[N@@H+]1CCCC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000297881501 456316026 /nfs/dbraw/zinc/31/60/26/456316026.db2.gz RARFLTZSBFRBOH-GJZGRUSLSA-N 1 0 348.447 3.220 20 5 EGBDRO C[C@H]([NH2+][C@H]1CSC[C@@H]1C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000352799281 456318656 /nfs/dbraw/zinc/31/86/56/456318656.db2.gz MFPMDCPHMFOEBZ-KWBADKCTSA-N 1 0 334.401 3.047 20 5 EGBDRO CC(C)c1ccc(C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)cc1[N+](=O)[O-] ZINC000276125927 456393867 /nfs/dbraw/zinc/39/38/67/456393867.db2.gz NTFMJUPHARPVCR-ZDUSSCGKSA-N 1 0 331.416 3.098 20 5 EGBDRO C[C@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)[N@@H+]1CCCC[C@H]1C ZINC000343083107 456394644 /nfs/dbraw/zinc/39/46/44/456394644.db2.gz XUEKOLJRQYFLHW-CHWSQXEVSA-N 1 0 345.399 3.334 20 5 EGBDRO CCSCCC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000282166011 456431211 /nfs/dbraw/zinc/43/12/11/456431211.db2.gz YEHDTJZKRZMABR-UHFFFAOYSA-N 1 0 334.445 3.228 20 5 EGBDRO C[C@H]([NH2+][C@H]1CCc2ccccc2NC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000298414331 456450686 /nfs/dbraw/zinc/45/06/86/456450686.db2.gz PGOZSHWSYNZFKM-SJCJKPOMSA-N 1 0 325.368 3.199 20 5 EGBDRO COc1cc(C[NH2+][C@@H]2CCCC23CCOCC3)c([N+](=O)[O-])cc1F ZINC000282237489 456451966 /nfs/dbraw/zinc/45/19/66/456451966.db2.gz ZTXRBWSPQHUGQV-MRXNPFEDSA-N 1 0 338.379 3.181 20 5 EGBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000337688055 456481020 /nfs/dbraw/zinc/48/10/20/456481020.db2.gz RNKQDFOQRHWSGI-NSHDSACASA-N 1 0 340.811 3.102 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@H]1CCN(c2ccccc2F)C1 ZINC000291098091 456527544 /nfs/dbraw/zinc/52/75/44/456527544.db2.gz ZDRCPDJZABYKDM-CQSZACIVSA-N 1 0 329.375 3.350 20 5 EGBDRO C[C@@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)[NH+]1CCC(C)CC1 ZINC000343335995 456539598 /nfs/dbraw/zinc/53/95/98/456539598.db2.gz OLBDZJPMZXHPCG-ZDUSSCGKSA-N 1 0 345.399 3.191 20 5 EGBDRO CCO[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000353174066 456540067 /nfs/dbraw/zinc/54/00/67/456540067.db2.gz DSZUHKYTEHISHX-WMZOPIPTSA-N 1 0 346.383 3.138 20 5 EGBDRO Cc1ccnc(N[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)c1[N+](=O)[O-] ZINC000310157950 456580418 /nfs/dbraw/zinc/58/04/18/456580418.db2.gz HPYIZDINJBJXAS-HOCLYGCPSA-N 1 0 326.400 3.373 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)CCCn1ccnc1C ZINC000348267328 456583584 /nfs/dbraw/zinc/58/35/84/456583584.db2.gz QKZFKSCIQVAPBZ-UHFFFAOYSA-N 1 0 332.404 3.021 20 5 EGBDRO O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)c1ccc([N+](=O)[O-])[nH]1 ZINC000299085940 456602911 /nfs/dbraw/zinc/60/29/11/456602911.db2.gz GAJYZDDHFAKLLN-UHFFFAOYSA-N 1 0 342.399 3.204 20 5 EGBDRO O=[N+]([O-])c1cc(CN2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cs1 ZINC000348302533 456606291 /nfs/dbraw/zinc/60/62/91/456606291.db2.gz AHMMQJOQXIVLFT-CALCHBBNSA-N 1 0 343.452 3.220 20 5 EGBDRO C[C@@H](c1nc(-c2ccc(N)c([N+](=O)[O-])c2)no1)[NH+]1[C@H](C)CC[C@H]1C ZINC000276901198 456615070 /nfs/dbraw/zinc/61/50/70/456615070.db2.gz JCLGKHLITMSKQX-MXWKQRLJSA-N 1 0 331.376 3.161 20 5 EGBDRO CCOc1cc(C[NH2+][C@@H](CCO)c2ccccc2)ccc1[N+](=O)[O-] ZINC000276938849 456626452 /nfs/dbraw/zinc/62/64/52/456626452.db2.gz RZPJQUBVYZLSFL-INIZCTEOSA-N 1 0 330.384 3.207 20 5 EGBDRO CC[C@@H]1[C@@H](C)CC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000299186817 456629300 /nfs/dbraw/zinc/62/93/00/456629300.db2.gz BZTMQULDDWTQRR-SWLSCSKDSA-N 1 0 335.404 3.052 20 5 EGBDRO Cc1ccc(C(=O)N[C@H](CCC[NH3+])c2ccccc2)cc1[N+](=O)[O-] ZINC000326850046 456701010 /nfs/dbraw/zinc/70/10/10/456701010.db2.gz NSFNPWPQTJYXOW-MRXNPFEDSA-N 1 0 327.384 3.113 20 5 EGBDRO CO[C@]1(C)C[C@H]([NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1(C)C ZINC000340855437 456722203 /nfs/dbraw/zinc/72/22/03/456722203.db2.gz XOWPAPBBZQRSEM-XLWVJDPXSA-N 1 0 349.431 3.023 20 5 EGBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000340902063 456750280 /nfs/dbraw/zinc/75/02/80/456750280.db2.gz LSCIRZCIZJIWOE-IUODEOHRSA-N 1 0 331.420 3.223 20 5 EGBDRO C[C@H](CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)C[NH+](C)C ZINC000291806132 456764215 /nfs/dbraw/zinc/76/42/15/456764215.db2.gz XQKSLONNUZUTSZ-GFCCVEGCSA-N 1 0 334.445 3.006 20 5 EGBDRO CC[C@H](C)[NH2+][C@@H](CNc1c([N+](=O)[O-])nc(C)n1CC)c1ccco1 ZINC000340951333 456779532 /nfs/dbraw/zinc/77/95/32/456779532.db2.gz IUGJWIQWTZQZEH-AAEUAGOBSA-N 1 0 335.408 3.254 20 5 EGBDRO CC(C)c1ccc(C(=O)N2CCC[C@@H]([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000277370472 456798747 /nfs/dbraw/zinc/79/87/47/456798747.db2.gz VKXGKFVDALAUDE-OAHLLOKOSA-N 1 0 333.432 3.275 20 5 EGBDRO Nc1ccc(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)c([N+](=O)[O-])c1 ZINC000283562241 456803266 /nfs/dbraw/zinc/80/32/66/456803266.db2.gz NLQZEJWASKUMDZ-UHFFFAOYSA-N 1 0 344.390 3.028 20 5 EGBDRO C[C@@H](CNc1nc2sccn2c1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000301254546 456835753 /nfs/dbraw/zinc/83/57/53/456835753.db2.gz NJALDZRXLMINKT-LBPRGKRZSA-N 1 0 345.428 3.236 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1CN(C)CC[C@H]1CCCC[N@@H+]1C ZINC000353658504 456837848 /nfs/dbraw/zinc/83/78/48/456837848.db2.gz WARLUNMGEXHHIT-MRXNPFEDSA-N 1 0 335.448 3.300 20 5 EGBDRO C[C@H]([NH2+]Cc1ccc(C[S@](C)=O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000353809728 456916455 /nfs/dbraw/zinc/91/64/55/456916455.db2.gz BUCVFTFXAFGTMO-NPMABZOXSA-N 1 0 332.425 3.324 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCc3c(cnn3-c3ccccc3)C2)cc1 ZINC000339111002 456945730 /nfs/dbraw/zinc/94/57/30/456945730.db2.gz XXKUNTMERYMGHF-UHFFFAOYSA-N 1 0 348.406 3.381 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000353922147 456966153 /nfs/dbraw/zinc/96/61/53/456966153.db2.gz OLEAUNPCYBVEHA-SUMWQHHRSA-N 1 0 346.431 3.248 20 5 EGBDRO C[NH+](C)CCOc1ccccc1CNc1c(F)cccc1[N+](=O)[O-] ZINC000341927062 457005641 /nfs/dbraw/zinc/00/56/41/457005641.db2.gz KLZXRYXOGCMZAG-UHFFFAOYSA-N 1 0 333.363 3.286 20 5 EGBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](C)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000354015375 457010858 /nfs/dbraw/zinc/01/08/58/457010858.db2.gz RRXDNNDEWQRDHH-CYBMUJFWSA-N 1 0 349.431 3.300 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](C)C(C)(C)C1 ZINC000354042375 457027925 /nfs/dbraw/zinc/02/79/25/457027925.db2.gz MIUUKKBNLYTVGM-CYBMUJFWSA-N 1 0 349.431 3.300 20 5 EGBDRO CCC[C@@H]([NH2+][C@H](CCO)C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000359413764 457081704 /nfs/dbraw/zinc/08/17/04/457081704.db2.gz HOCOPDOIJYCKJQ-QZTJIDSGSA-N 1 0 336.432 3.203 20 5 EGBDRO C[C@@H]1C[C@@H](c2cccnc2)[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000359870410 457136134 /nfs/dbraw/zinc/13/61/34/457136134.db2.gz IVQVHENQYUGEDK-PBHICJAKSA-N 1 0 327.384 3.452 20 5 EGBDRO CC[N@@H+]1C[C@H](C)N(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000346734511 457137606 /nfs/dbraw/zinc/13/76/06/457137606.db2.gz YQDLTTHVXPJIPB-STQMWFEESA-N 1 0 334.420 3.158 20 5 EGBDRO Cc1cnc(N[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000342197302 457162971 /nfs/dbraw/zinc/16/29/71/457162971.db2.gz GMUXLBJPTYMVPO-HOCLYGCPSA-N 1 0 326.400 3.373 20 5 EGBDRO C[C@@H](CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1C ZINC000346782593 457167140 /nfs/dbraw/zinc/16/71/40/457167140.db2.gz HJVRRRQNTVAIIF-RYUDHWBXSA-N 1 0 339.823 3.241 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000331369045 457175068 /nfs/dbraw/zinc/17/50/68/457175068.db2.gz FPBLQDVSLBBZOM-YOEHRIQHSA-N 1 0 346.431 3.289 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000331520168 457199188 /nfs/dbraw/zinc/19/91/88/457199188.db2.gz JMDCZISBZHZGAE-KGLIPLIRSA-N 1 0 341.415 3.046 20 5 EGBDRO Cc1nc(CC[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)sc1C ZINC000331523560 457200873 /nfs/dbraw/zinc/20/08/73/457200873.db2.gz WENCJNYTLNPWLL-KGLIPLIRSA-N 1 0 349.460 3.181 20 5 EGBDRO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@H](CC3CC3)C2)cccc1[N+](=O)[O-] ZINC000339686547 457213408 /nfs/dbraw/zinc/21/34/08/457213408.db2.gz NRGCTESAXKPDMU-DZGCQCFKSA-N 1 0 331.416 3.352 20 5 EGBDRO O=[N+]([O-])c1cc2c(ncnc2N[C@@H]2CC[N@H+](CC3CCCC3)C2)s1 ZINC000342299705 457222147 /nfs/dbraw/zinc/22/21/47/457222147.db2.gz XRMWEKBUATUDRZ-GFCCVEGCSA-N 1 0 347.444 3.276 20 5 EGBDRO C[C@H]1CCC[C@H](C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000357003997 457270028 /nfs/dbraw/zinc/27/00/28/457270028.db2.gz OTRYUSBKFFKUFN-HOTGVXAUSA-N 1 0 345.443 3.179 20 5 EGBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccc2c[nH+]cn2c1 ZINC000339814046 457286429 /nfs/dbraw/zinc/28/64/29/457286429.db2.gz IGJOVQSMLKQTTN-UHFFFAOYSA-N 1 0 338.367 3.293 20 5 EGBDRO C[NH+](C)C[C@H](NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)c1ccccc1 ZINC000347255282 457314027 /nfs/dbraw/zinc/31/40/27/457314027.db2.gz FIEJXWQFVMEGEG-INIZCTEOSA-N 1 0 346.362 3.158 20 5 EGBDRO COC1CC[NH+](C2(CNc3nc(C)ccc3[N+](=O)[O-])CCCC2)CC1 ZINC000360875555 457399180 /nfs/dbraw/zinc/39/91/80/457399180.db2.gz WZEBIAOXURESKB-UHFFFAOYSA-N 1 0 348.447 3.134 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 ZINC000363946337 457465228 /nfs/dbraw/zinc/46/52/28/457465228.db2.gz MWLMFVRSNKTYQH-OIPACUDHSA-N 1 0 334.416 3.233 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 ZINC000363946336 457466082 /nfs/dbraw/zinc/46/60/82/457466082.db2.gz MWLMFVRSNKTYQH-AFIMGQEJSA-N 1 0 334.416 3.233 20 5 EGBDRO COC(=O)CC1CCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000360979345 457485384 /nfs/dbraw/zinc/48/53/84/457485384.db2.gz UFNBFGCVZLFORP-UHFFFAOYSA-N 1 0 343.383 3.231 20 5 EGBDRO C[C@H](O)C[N@H+](C)Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000361018081 457515595 /nfs/dbraw/zinc/51/55/95/457515595.db2.gz QDMQMTGUNFCWJY-AWEZNQCLSA-N 1 0 329.400 3.175 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](C[C@@H](O)Cc3ccccc3)C2)cc1 ZINC000425495503 457577586 /nfs/dbraw/zinc/57/75/86/457577586.db2.gz SSOHVUBQTPPZET-QUCCMNQESA-N 1 0 340.423 3.378 20 5 EGBDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000361209201 457646372 /nfs/dbraw/zinc/64/63/72/457646372.db2.gz QVORGSQEMTWBNI-UHFFFAOYSA-N 1 0 331.347 3.356 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCc3nc(C)ncc3C2)cc1[N+](=O)[O-] ZINC000370671251 457696945 /nfs/dbraw/zinc/69/69/45/457696945.db2.gz OVLGWEJTCQCOIK-LRDDRELGSA-N 1 0 326.400 3.210 20 5 EGBDRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000357847816 457710516 /nfs/dbraw/zinc/71/05/16/457710516.db2.gz IKVYUELJQIQKTG-KBXCAEBGSA-N 1 0 341.411 3.324 20 5 EGBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000443650315 457799217 /nfs/dbraw/zinc/79/92/17/457799217.db2.gz IGMZPOPAFVFHAR-KBPBESRZSA-N 1 0 349.431 3.300 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](CCC(C)C)C1CC1 ZINC000411178061 457822242 /nfs/dbraw/zinc/82/22/42/457822242.db2.gz XECLXNFXDXOESW-UHFFFAOYSA-N 1 0 349.431 3.443 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)[C@H]1OCCc2sccc21 ZINC000366537360 457844214 /nfs/dbraw/zinc/84/42/14/457844214.db2.gz WZCHVKYAQYYUGS-PIGZYNQJSA-N 1 0 348.424 3.457 20 5 EGBDRO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000411313508 457856739 /nfs/dbraw/zinc/85/67/39/457856739.db2.gz QBXJOMIUSHERLM-QWHCGFSZSA-N 1 0 335.404 3.052 20 5 EGBDRO CCC[N@@H+]1CCC[C@@H]1CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000358304396 457921084 /nfs/dbraw/zinc/92/10/84/457921084.db2.gz ZUDYCOQSIXVSJY-MRXNPFEDSA-N 1 0 348.447 3.004 20 5 EGBDRO CCc1ccccc1CC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000444666110 457932197 /nfs/dbraw/zinc/93/21/97/457932197.db2.gz WBHSDWDYIHSCGB-KRWDZBQOSA-N 1 0 340.427 3.281 20 5 EGBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000371444044 457933012 /nfs/dbraw/zinc/93/30/12/457933012.db2.gz VKDKAEBXLMOIFG-CVEARBPZSA-N 1 0 334.416 3.112 20 5 EGBDRO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@H]1CCCC[C@H]1C ZINC000444671260 457933667 /nfs/dbraw/zinc/93/36/67/457933667.db2.gz ZONOPGVSKVOBOE-CJNGLKHVSA-N 1 0 349.431 3.443 20 5 EGBDRO CC[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H]1CCCC[C@@H]1C ZINC000444674122 457934997 /nfs/dbraw/zinc/93/49/97/457934997.db2.gz JLLOPJXPRSFPLW-YOEHRIQHSA-N 1 0 345.443 3.385 20 5 EGBDRO CC[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@@H]1CCCC[C@H]1C ZINC000444671307 457935297 /nfs/dbraw/zinc/93/52/97/457935297.db2.gz GBFLCQIBBKVCOV-RHSMWYFYSA-N 1 0 345.443 3.385 20 5 EGBDRO C[N@@H+]1CCC[C@H](CCNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000458169909 457953001 /nfs/dbraw/zinc/95/30/01/457953001.db2.gz FQUJWKVWUMPBFU-GFCCVEGCSA-N 1 0 347.440 3.271 20 5 EGBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccc(-n2cncn2)cc1 ZINC000358356096 457954878 /nfs/dbraw/zinc/95/48/78/457954878.db2.gz ODDLRIJQLHJPTC-CQSZACIVSA-N 1 0 337.383 3.069 20 5 EGBDRO COc1ccc(NC(=O)CC[N@@H+]2[C@H](C)CCC2(C)C)c([N+](=O)[O-])c1 ZINC000411807363 457983819 /nfs/dbraw/zinc/98/38/19/457983819.db2.gz KHNQNFZPPLZDSD-GFCCVEGCSA-N 1 0 335.404 3.195 20 5 EGBDRO CCOc1cc(C[N@@H+]2C[C@H](O)C[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000411916087 458009060 /nfs/dbraw/zinc/00/90/60/458009060.db2.gz ANJLNPXPRRRLPN-SJLPKXTDSA-N 1 0 342.395 3.301 20 5 EGBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412110904 458095208 /nfs/dbraw/zinc/09/52/08/458095208.db2.gz FANPBOCAILYZJB-RYQLBKOJSA-N 1 0 345.443 3.079 20 5 EGBDRO Cc1cccc(C(=O)N2CCC[C@@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)c1[N+](=O)[O-] ZINC000358647887 458127266 /nfs/dbraw/zinc/12/72/66/458127266.db2.gz GRXRJFQGBFXLJW-OWCLPIDISA-N 1 0 345.443 3.381 20 5 EGBDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000446095320 458147217 /nfs/dbraw/zinc/14/72/17/458147217.db2.gz MMXOZINWZDEMJW-HNNXBMFYSA-N 1 0 333.432 3.288 20 5 EGBDRO CCN(CCC[NH+]1CCCC1)C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412285060 458154582 /nfs/dbraw/zinc/15/45/82/458154582.db2.gz TTXPECIQFWVUPG-ZWKOTPCHSA-N 1 0 345.443 3.033 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CC[C@@](O)(C3CC3)C2)o1 ZINC000376040857 458173943 /nfs/dbraw/zinc/17/39/43/458173943.db2.gz CFNYCIUPFQTXAC-SFHVURJKSA-N 1 0 328.368 3.202 20 5 EGBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000458882571 458204353 /nfs/dbraw/zinc/20/43/53/458204353.db2.gz AZLRSMNKIDKIQR-JKIFEVAISA-N 1 0 348.447 3.170 20 5 EGBDRO Cc1cccc(NC[C@H]2CCCN2C(=O)c2csc([N+](=O)[O-])c2)n1 ZINC000369496082 458237129 /nfs/dbraw/zinc/23/71/29/458237129.db2.gz IFXMINQWIGJAKV-CYBMUJFWSA-N 1 0 346.412 3.076 20 5 EGBDRO CCOC(=O)[C@@]1(C(C)C)CC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000446913709 458245951 /nfs/dbraw/zinc/24/59/51/458245951.db2.gz HJSNSADAKAGNHX-SFHVURJKSA-N 1 0 334.416 3.314 20 5 EGBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@@H](C)C1 ZINC000429014888 458256728 /nfs/dbraw/zinc/25/67/28/458256728.db2.gz ZGWSKGZUQXOWCD-QFSBIZTOSA-N 1 0 339.386 3.035 20 5 EGBDRO C[C@@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)Cc2ccccc2O1 ZINC000429112502 458272806 /nfs/dbraw/zinc/27/28/06/458272806.db2.gz GPLLXONSDAKRRM-CQSZACIVSA-N 1 0 328.368 3.257 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@@H](C)C1CCCCC1 ZINC000447394788 458292507 /nfs/dbraw/zinc/29/25/07/458292507.db2.gz MMZJNDQZLQUHFB-ZDUSSCGKSA-N 1 0 349.431 3.443 20 5 EGBDRO Cc1ccc(NC(=O)CC[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])nc1 ZINC000429255425 458300998 /nfs/dbraw/zinc/30/09/98/458300998.db2.gz PWQXGPCQBPLIQZ-UHFFFAOYSA-N 1 0 342.399 3.152 20 5 EGBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCOC2CCCCC2)n1 ZINC000447530923 458305660 /nfs/dbraw/zinc/30/56/60/458305660.db2.gz PQOJAPZNHWFERW-CVEARBPZSA-N 1 0 336.436 3.214 20 5 EGBDRO COCc1ccc(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000447536070 458306241 /nfs/dbraw/zinc/30/62/41/458306241.db2.gz KVIHLANAHAHQKI-IRXDYDNUSA-N 1 0 344.415 3.211 20 5 EGBDRO CN(C)c1cccc(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000447542178 458307839 /nfs/dbraw/zinc/30/78/39/458307839.db2.gz OMXPWAITWZJLBS-DLBZAZTESA-N 1 0 343.431 3.131 20 5 EGBDRO CCO[C@H](CC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)C(C)C ZINC000447562770 458311642 /nfs/dbraw/zinc/31/16/42/458311642.db2.gz MYCPDAWNKUXBOX-ARFHVFGLSA-N 1 0 338.452 3.316 20 5 EGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CC2Cc3ccccc3C2)n1 ZINC000447579647 458314831 /nfs/dbraw/zinc/31/48/31/458314831.db2.gz LAEWENOGTWVSHG-QZTJIDSGSA-N 1 0 340.427 3.280 20 5 EGBDRO COc1cccc(CCC[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000369682116 458315575 /nfs/dbraw/zinc/31/55/75/458315575.db2.gz RICOLJAGGIDBCZ-UHFFFAOYSA-N 1 0 344.415 3.070 20 5 EGBDRO CCC[C@@H]([NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)C1CCC1 ZINC000459786228 458478599 /nfs/dbraw/zinc/47/85/99/458478599.db2.gz DDEPWDGLVMSHGX-SWLSCSKDSA-N 1 0 349.431 3.489 20 5 EGBDRO C[C@@H](C[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1)C(=O)OC(C)(C)C ZINC000459814812 458485168 /nfs/dbraw/zinc/48/51/68/458485168.db2.gz UQOWPDJLNUHJLL-NSHDSACASA-N 1 0 349.387 3.146 20 5 EGBDRO CCc1ccccc1[C@H]([NH3+])CNC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000423935418 458516590 /nfs/dbraw/zinc/51/65/90/458516590.db2.gz ALANNZBFLATTCQ-QGZVFWFLSA-N 1 0 341.411 3.204 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cccc(N(C)C)n1 ZINC000468621878 458528256 /nfs/dbraw/zinc/52/82/56/458528256.db2.gz RSZVNOWGOKHSGV-GXDHUFHOSA-N 1 0 326.400 3.249 20 5 EGBDRO CCc1nn(C)c(OC)c1C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000468622654 458528422 /nfs/dbraw/zinc/52/84/22/458528422.db2.gz UYOGAJVVRMBKJD-UKTHLTGXSA-N 1 0 344.415 3.092 20 5 EGBDRO C[C@H]1CC(=O)NCC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000377889939 458564035 /nfs/dbraw/zinc/56/40/35/458564035.db2.gz RCEGTALWSARNLJ-LBPRGKRZSA-N 1 0 345.424 3.034 20 5 EGBDRO Cc1cc(C[NH3+])cc(NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])c1 ZINC000424428439 458640772 /nfs/dbraw/zinc/64/07/72/458640772.db2.gz TVKMYGYRGCHJHE-UHFFFAOYSA-N 1 0 342.399 3.419 20 5 EGBDRO C[NH+](C)C1(CNc2ccc(F)cc2[N+](=O)[O-])Cc2ccccc2C1 ZINC000462884315 458664742 /nfs/dbraw/zinc/66/47/42/458664742.db2.gz OHLXCMRCFLZPKG-UHFFFAOYSA-N 1 0 329.375 3.245 20 5 EGBDRO CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000495428521 458853804 /nfs/dbraw/zinc/85/38/04/458853804.db2.gz XOBQNVZKLJMHPT-DAXOMENPSA-N 1 0 333.432 3.244 20 5 EGBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000457080148 458857696 /nfs/dbraw/zinc/85/76/96/458857696.db2.gz CEYIVWXZYZEWEG-WMZOPIPTSA-N 1 0 347.459 3.105 20 5 EGBDRO Cc1ncc2c(n1)CC[C@@H]([NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1)C2 ZINC000518767509 458892275 /nfs/dbraw/zinc/89/22/75/458892275.db2.gz GIEOFMVZMYCITL-MRXNPFEDSA-N 1 0 340.427 3.464 20 5 EGBDRO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](CC(C)C)C2)c([N+](=O)[O-])c1 ZINC000467177780 458955671 /nfs/dbraw/zinc/95/56/71/458955671.db2.gz XOZOQEVHDUTHCN-KBPBESRZSA-N 1 0 349.431 3.298 20 5 EGBDRO Cc1c([C@H](C)[NH2+][C@H]2CC[C@@](O)(C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000589949691 459056110 /nfs/dbraw/zinc/05/61/10/459056110.db2.gz HAXXIKPOLKBTDT-MJVIPROJSA-N 1 0 332.322 3.400 20 5 EGBDRO Cc1c(NC(=O)CC[NH+]2CCC(C3CC3)CC2)cccc1[N+](=O)[O-] ZINC000590008090 459066226 /nfs/dbraw/zinc/06/62/26/459066226.db2.gz CNFTZESPHUVCIF-UHFFFAOYSA-N 1 0 331.416 3.354 20 5 EGBDRO CC(C)[N@H+](C)CC1CCN(c2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000557419527 459070396 /nfs/dbraw/zinc/07/03/96/459070396.db2.gz MIYYZOQHZJSSHR-UHFFFAOYSA-N 1 0 349.460 3.156 20 5 EGBDRO CC(C)(CNc1ccc2cc([N+](=O)[O-])ccc2n1)C[NH+]1CCCC1 ZINC000478043948 459073602 /nfs/dbraw/zinc/07/36/02/459073602.db2.gz XFJCUWXTYCEZLU-UHFFFAOYSA-N 1 0 328.416 3.099 20 5 EGBDRO CCCN(CCn1ccc([N+](=O)[O-])n1)Cc1c(F)cccc1Cl ZINC000478414452 459090925 /nfs/dbraw/zinc/09/09/25/459090925.db2.gz HKJCOGIIGLGROX-UHFFFAOYSA-N 1 0 340.786 3.496 20 5 EGBDRO C[C@H]([NH2+][C@H](COC(N)=O)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000496159587 459092104 /nfs/dbraw/zinc/09/21/04/459092104.db2.gz PCYWMQUYKZEUMZ-BBRMVZONSA-N 1 0 343.383 3.366 20 5 EGBDRO O=[N+]([O-])c1cc2c(ncnc2N[C@H]2CCC[N@@H+]3CCCC[C@H]23)s1 ZINC000594597612 459103444 /nfs/dbraw/zinc/10/34/44/459103444.db2.gz DDGKPOZNVXUDPZ-NWDGAFQWSA-N 1 0 333.417 3.028 20 5 EGBDRO CC[C@@H](C)[C@H]1CCCC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000532586159 459113310 /nfs/dbraw/zinc/11/33/10/459113310.db2.gz UIGIZDJOJUKWQD-RHSMWYFYSA-N 1 0 333.432 3.458 20 5 EGBDRO CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000577884802 459113726 /nfs/dbraw/zinc/11/37/26/459113726.db2.gz NHTBBTXBKOLSFT-HNNXBMFYSA-N 1 0 345.399 3.287 20 5 EGBDRO [NH3+][C@@H](CCC(=O)NCc1cccc([N+](=O)[O-])c1)CC1CCCCC1 ZINC000567659303 459140011 /nfs/dbraw/zinc/14/00/11/459140011.db2.gz RSKZOUGPCABCFR-INIZCTEOSA-N 1 0 333.432 3.289 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[NH2+]Cc1ccc(O[C@H]2CCOC2)cc1 ZINC000594925882 459178749 /nfs/dbraw/zinc/17/87/49/459178749.db2.gz PKVNZTRYUAEUHG-KRWDZBQOSA-N 1 0 328.368 3.052 20 5 EGBDRO COC[C@@H](C)Oc1ccc(C[NH2+]CCc2ccccc2[N+](=O)[O-])cc1 ZINC000594928141 459179691 /nfs/dbraw/zinc/17/96/91/459179691.db2.gz DMFUONHFXQEHOD-OAHLLOKOSA-N 1 0 344.411 3.341 20 5 EGBDRO C[C@@H](CCc1ccccc1)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000533058440 459182092 /nfs/dbraw/zinc/18/20/92/459182092.db2.gz LNXONPDJOBRMOH-RDJZCZTQSA-N 1 0 340.427 3.497 20 5 EGBDRO C[N@@H+]1CCC[C@]2(CCN(c3nccc4c3cccc4[N+](=O)[O-])C2)C1 ZINC000590703505 459189452 /nfs/dbraw/zinc/18/94/52/459189452.db2.gz JWOJEDFCIBQUGL-SFHVURJKSA-N 1 0 326.400 3.065 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000594992228 459208644 /nfs/dbraw/zinc/20/86/44/459208644.db2.gz DFYOXWFSZOTDFG-WPMUKRGUSA-N 1 0 345.443 3.235 20 5 EGBDRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000590767698 459210078 /nfs/dbraw/zinc/21/00/78/459210078.db2.gz FRNYGNPLTDWCLR-WBVHZDCISA-N 1 0 347.459 3.325 20 5 EGBDRO COc1ccc(NC(=O)C[N@@H+]2CCC[C@H](C(C)C)CC2)c([N+](=O)[O-])c1 ZINC000533298699 459214482 /nfs/dbraw/zinc/21/44/82/459214482.db2.gz ASJNFPYNFNRDLQ-AWEZNQCLSA-N 1 0 349.431 3.300 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H](CCO)c1ccccc1 ZINC000595024033 459219097 /nfs/dbraw/zinc/21/90/97/459219097.db2.gz DXCJWRYUFBAELQ-HOCLYGCPSA-N 1 0 344.411 3.420 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1ccc2cnn(C)c2c1 ZINC000595037347 459224311 /nfs/dbraw/zinc/22/43/11/459224311.db2.gz FGHWOJHUAMKPAD-GFCCVEGCSA-N 1 0 340.383 3.341 20 5 EGBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCCOC(C)(C)C ZINC000595076329 459238151 /nfs/dbraw/zinc/23/81/51/459238151.db2.gz INWDUVVICYFVBS-ZDUSSCGKSA-N 1 0 337.420 3.107 20 5 EGBDRO Cc1c([C@@H](C)[NH2+]C[C@@H]2CC(=O)N(C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000595104386 459246748 /nfs/dbraw/zinc/24/67/48/459246748.db2.gz PRCVWRMIFJZIMG-KGLIPLIRSA-N 1 0 333.432 3.201 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC(C)(C)[C@@H]2CCC[C@@H]21 ZINC000559426574 459258591 /nfs/dbraw/zinc/25/85/91/459258591.db2.gz HCBCTSMEECUDSH-HIFRSBDPSA-N 1 0 347.415 3.052 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000595232941 459259432 /nfs/dbraw/zinc/25/94/32/459259432.db2.gz FRGPMCZPRAINJC-HNNXBMFYSA-N 1 0 346.431 3.147 20 5 EGBDRO CC[NH+](CC)CCN(Cc1onc(C)c1[N+](=O)[O-])Cc1ccccc1 ZINC000595334287 459278049 /nfs/dbraw/zinc/27/80/49/459278049.db2.gz LRNPEOZKWFAMOU-UHFFFAOYSA-N 1 0 346.431 3.235 20 5 EGBDRO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](C3CCC3)C2)cccc1[N+](=O)[O-] ZINC000591063041 459303462 /nfs/dbraw/zinc/30/34/62/459303462.db2.gz HJELWNOGMOMLHV-HIFRSBDPSA-N 1 0 331.416 3.352 20 5 EGBDRO Cc1ccccc1C[N@@H+]1CCCN(c2ncc([N+](=O)[O-])cc2F)CC1 ZINC000591138887 459320926 /nfs/dbraw/zinc/32/09/26/459320926.db2.gz JJCGPKKLILTSRU-UHFFFAOYSA-N 1 0 344.390 3.150 20 5 EGBDRO Cc1cc(NC(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC000591296402 459349392 /nfs/dbraw/zinc/34/93/92/459349392.db2.gz GYMWDLLSRFERBZ-HUUCEWRRSA-N 1 0 346.431 3.147 20 5 EGBDRO CN(C(=O)C[N@@H+]1CCC[C@H](C(C)(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000483241318 459351935 /nfs/dbraw/zinc/35/19/35/459351935.db2.gz SPPKMNRBBLHFMU-AWEZNQCLSA-N 1 0 333.432 3.316 20 5 EGBDRO CC(C)(C)[C@H]1CCC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000483234176 459352812 /nfs/dbraw/zinc/35/28/12/459352812.db2.gz JJVIMXRRKOUNND-LSDHHAIUSA-N 1 0 336.432 3.093 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H](CO)Cc1ccco1)CCCC2 ZINC000591347991 459358504 /nfs/dbraw/zinc/35/85/04/459358504.db2.gz PLWVAHHXMBTJNX-IFXJQAMLSA-N 1 0 344.411 3.396 20 5 EGBDRO C[C@H](CO)[C@@H]1CCCC[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000595679411 459394873 /nfs/dbraw/zinc/39/48/73/459394873.db2.gz VZCNJOCLRXOXSD-DYVFJYSZSA-N 1 0 345.399 3.233 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000591534464 459396207 /nfs/dbraw/zinc/39/62/07/459396207.db2.gz NRYDWCIAOBLBSW-ZDUSSCGKSA-N 1 0 345.443 3.158 20 5 EGBDRO C[C@@H](O)[C@@H]1CCCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000540962248 459411614 /nfs/dbraw/zinc/41/16/14/459411614.db2.gz YOYRUEYVWBYREL-TZMCWYRMSA-N 1 0 347.440 3.311 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000595791134 459442774 /nfs/dbraw/zinc/44/27/74/459442774.db2.gz ZSLVIZJYODSNAI-RHSMWYFYSA-N 1 0 334.416 3.385 20 5 EGBDRO CCC[C@]1(C)CCC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000541348623 459448384 /nfs/dbraw/zinc/44/83/84/459448384.db2.gz IFTSSEGXAFILLU-CRAIPNDOSA-N 1 0 336.432 3.237 20 5 EGBDRO O=C(CC[NH2+]CCc1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)cc1 ZINC000582941751 459454748 /nfs/dbraw/zinc/45/47/48/459454748.db2.gz HMHXZVMLFKDLJK-UHFFFAOYSA-N 1 0 347.802 3.409 20 5 EGBDRO O=C(CC[N@@H+]1CCC[C@@H]1c1ccccn1)Nc1ccccc1[N+](=O)[O-] ZINC000569625388 459483424 /nfs/dbraw/zinc/48/34/24/459483424.db2.gz VSWUMQDRZALWLV-MRXNPFEDSA-N 1 0 340.383 3.156 20 5 EGBDRO CCC[C@@]1(COC)CCC[N@@H+]1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000569660833 459488088 /nfs/dbraw/zinc/48/80/88/459488088.db2.gz ANKNJESAZBAYHM-SFHVURJKSA-N 1 0 349.431 3.123 20 5 EGBDRO CCn1cc(CN(C)c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)cn1 ZINC000542120792 459526806 /nfs/dbraw/zinc/52/68/06/459526806.db2.gz MCDHCSNLCBVXCD-UHFFFAOYSA-N 1 0 325.372 3.304 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2nc(-c3nc([C@H]4CCC[NH2+]4)no3)cs2)c1 ZINC000592357326 459578517 /nfs/dbraw/zinc/57/85/17/459578517.db2.gz WTGHRABXWQSLLY-LLVKDONJSA-N 1 0 343.368 3.193 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2nc(-c3nc([C@@H]4CCC[NH2+]4)no3)cs2)cc1 ZINC000592357132 459578689 /nfs/dbraw/zinc/57/86/89/459578689.db2.gz QREPOMOFIYVGHU-NSHDSACASA-N 1 0 343.368 3.193 20 5 EGBDRO Cc1ccc(-c2nn(C)cc2C[NH2+]CCc2ccc([N+](=O)[O-])cc2)o1 ZINC000592363286 459580587 /nfs/dbraw/zinc/58/05/87/459580587.db2.gz PHBMPTKSPOPOJS-UHFFFAOYSA-N 1 0 340.383 3.229 20 5 EGBDRO Cc1ccc(-c2nn(C)cc2C[NH2+]CCc2cccc([N+](=O)[O-])c2)o1 ZINC000592366111 459581160 /nfs/dbraw/zinc/58/11/60/459581160.db2.gz UCXKAHLOJAXBDP-UHFFFAOYSA-N 1 0 340.383 3.229 20 5 EGBDRO COC(=O)[C@@H]1CCCC[C@]1(C)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000542702330 459583256 /nfs/dbraw/zinc/58/32/56/459583256.db2.gz XCGMHSNECXEHMA-CLUPCLRZSA-N 1 0 332.400 3.320 20 5 EGBDRO CC[N@H+](CCCNc1ccc([N+](=O)[O-])c(C(N)=O)c1)C1CCCCC1 ZINC000596290272 459586694 /nfs/dbraw/zinc/58/66/94/459586694.db2.gz NERYHBGECCAPPS-UHFFFAOYSA-N 1 0 348.447 3.150 20 5 EGBDRO CC(C)[N@@H+]1CCCC[C@@H]1Cn1ccc2c(cccc2[N+](=O)[O-])c1=O ZINC000596298670 459588171 /nfs/dbraw/zinc/58/81/71/459588171.db2.gz KKKAUXZKVPFXAZ-CQSZACIVSA-N 1 0 329.400 3.173 20 5 EGBDRO CC[C@@H]1CN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000592544675 459628826 /nfs/dbraw/zinc/62/88/26/459628826.db2.gz GKKRYUYMJPEHCC-DOMZBBRYSA-N 1 0 333.432 3.092 20 5 EGBDRO C[N@H+](CCc1ccccc1)[C@@H]1CCN(c2ccc([N+](=O)[O-])s2)C1 ZINC000596466661 459645933 /nfs/dbraw/zinc/64/59/33/459645933.db2.gz FNNXAYPCBWFGSJ-OAHLLOKOSA-N 1 0 331.441 3.410 20 5 EGBDRO C[C@@H](C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000562926714 459672134 /nfs/dbraw/zinc/67/21/34/459672134.db2.gz UXDWDSKKJJRNLH-KDOFPFPSSA-N 1 0 347.459 3.325 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1)CCC2 ZINC000584271579 459696146 /nfs/dbraw/zinc/69/61/46/459696146.db2.gz URAXVVSUQHQMTM-WFASDCNBSA-N 1 0 343.349 3.198 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000573603502 459703869 /nfs/dbraw/zinc/70/38/69/459703869.db2.gz BTZIEXTZZMRABG-KRWDZBQOSA-N 1 0 328.368 3.257 20 5 EGBDRO Cc1c(NC(=O)N[C@H](C)C[NH+]2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC000596636878 459708508 /nfs/dbraw/zinc/70/85/08/459708508.db2.gz XZWPXZHWMICKDX-CYBMUJFWSA-N 1 0 334.420 3.145 20 5 EGBDRO O=C(CC[NH2+]Cc1cccc(Cl)c1)Nc1ccccc1[N+](=O)[O-] ZINC000592992699 459733421 /nfs/dbraw/zinc/73/34/21/459733421.db2.gz IANVNNJHFLFDBZ-UHFFFAOYSA-N 1 0 333.775 3.367 20 5 EGBDRO C[C@@H](C(=O)NCC1([NH+](C)C)CCCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000573900531 459753088 /nfs/dbraw/zinc/75/30/88/459753088.db2.gz QLMIAFIJZAANPT-OAHLLOKOSA-N 1 0 347.459 3.469 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H](OC(C)C)C1 ZINC000593056107 459757917 /nfs/dbraw/zinc/75/79/17/459757917.db2.gz YCCYMOGAYDQMAU-INIZCTEOSA-N 1 0 349.431 3.121 20 5 EGBDRO CC[C@H]1COC(C)(C)C[N@@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000593056384 459758408 /nfs/dbraw/zinc/75/84/08/459758408.db2.gz HSCWUQOAQWQAQE-AWEZNQCLSA-N 1 0 349.431 3.121 20 5 EGBDRO C[C@H](CO)C1CC[NH+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000593084046 459767781 /nfs/dbraw/zinc/76/77/81/459767781.db2.gz PEPNFZDIECCCCO-CYBMUJFWSA-N 1 0 345.399 3.090 20 5 EGBDRO Cc1cc(NC(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000596824982 459772342 /nfs/dbraw/zinc/77/23/42/459772342.db2.gz SMFSBYSYDBKPOS-HNNXBMFYSA-N 1 0 346.431 3.147 20 5 EGBDRO C[C@@H]1CN(C)[C@H](C)[C@H](C)N1C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000593188025 459800999 /nfs/dbraw/zinc/80/09/99/459800999.db2.gz UDDDMAZAPVFBEE-UTUOFQBUSA-N 1 0 347.440 3.363 20 5 EGBDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000598261323 459842121 /nfs/dbraw/zinc/84/21/21/459842121.db2.gz QURJHMBSWOKXCW-OAHLLOKOSA-N 1 0 347.459 3.109 20 5 EGBDRO CC(C)[NH+]1CCC(N(C)C(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000574689985 459854971 /nfs/dbraw/zinc/85/49/71/459854971.db2.gz PYQHPBHWTBDYCO-AWEZNQCLSA-N 1 0 333.432 3.030 20 5 EGBDRO Cc1ccc([C@H](C)NC(=O)N(C)CC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000593374231 459870911 /nfs/dbraw/zinc/87/09/11/459870911.db2.gz XNNWZXYKDJFRMN-HNNXBMFYSA-N 1 0 348.447 3.092 20 5 EGBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccc2[nH]c(=O)oc2c1 ZINC000586791402 459873822 /nfs/dbraw/zinc/87/38/22/459873822.db2.gz NRDXBSZRNFRQSN-LLVKDONJSA-N 1 0 327.340 3.335 20 5 EGBDRO CN(c1ccccc1)c1ccc(C[N@H+](C)C2(CO)CC2)cc1[N+](=O)[O-] ZINC000597256760 459897654 /nfs/dbraw/zinc/89/76/54/459897654.db2.gz YISLMUFIIDQWOQ-UHFFFAOYSA-N 1 0 341.411 3.319 20 5 EGBDRO C[NH+](C)C[C@H](CNc1cccnc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000593478409 459900429 /nfs/dbraw/zinc/90/04/29/459900429.db2.gz ZGUBRXLKRMZDIS-ZDUSSCGKSA-N 1 0 334.807 3.401 20 5 EGBDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593503793 459908746 /nfs/dbraw/zinc/90/87/46/459908746.db2.gz LEZVPQRMTRRKEY-UHFFFAOYSA-N 1 0 345.374 3.285 20 5 EGBDRO O=[N+]([O-])c1sccc1NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000609192572 459921646 /nfs/dbraw/zinc/92/16/46/459921646.db2.gz REMAEQAHRLYYBZ-UHFFFAOYSA-N 1 0 347.440 3.225 20 5 EGBDRO C[NH+](C)[C@@H]1CCCN(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602453584 459944759 /nfs/dbraw/zinc/94/47/59/459944759.db2.gz IGLHYDTUCTUZLV-CYBMUJFWSA-N 1 0 331.338 3.140 20 5 EGBDRO CCC[C@@H]([NH2+]C[C@H]1CC(=O)N(C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000593718143 459961988 /nfs/dbraw/zinc/96/19/88/459961988.db2.gz LPNOUWONBASYJJ-CXAGYDPISA-N 1 0 331.416 3.037 20 5 EGBDRO O=[N+]([O-])c1ccc2[nH]c(CN3CCC[C@H](C[C@@H]4CCOC4)C3)nc2c1 ZINC000618296926 459963424 /nfs/dbraw/zinc/96/34/24/459963424.db2.gz AKPHWTOYGMNJLB-KGLIPLIRSA-N 1 0 344.415 3.110 20 5 EGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000602516981 459977799 /nfs/dbraw/zinc/97/77/99/459977799.db2.gz UWAWRLKQUFTICN-KGLIPLIRSA-N 1 0 343.349 3.330 20 5 EGBDRO C[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)C1CC[NH+](C)CC1 ZINC000609583380 459987982 /nfs/dbraw/zinc/98/79/82/459987982.db2.gz FGQMQUKYCXHVHF-LLVKDONJSA-N 1 0 347.440 3.270 20 5 EGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]CCc1cscn1 ZINC000602554210 459993861 /nfs/dbraw/zinc/99/38/61/459993861.db2.gz HBHDXNQSMJPAQN-UHFFFAOYSA-N 1 0 331.319 3.402 20 5 EGBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)CC[NH+]1CCCCC1 ZINC000593882326 460008729 /nfs/dbraw/zinc/00/87/29/460008729.db2.gz HUBRJMPHXZHSOH-KRWDZBQOSA-N 1 0 347.459 3.108 20 5 EGBDRO CCOC(=O)C1(C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602619117 460026897 /nfs/dbraw/zinc/02/68/97/460026897.db2.gz MECFGUJDDKSJET-UHFFFAOYSA-N 1 0 346.305 3.047 20 5 EGBDRO Cc1ccc(CC[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000609894456 460037511 /nfs/dbraw/zinc/03/75/11/460037511.db2.gz OGGWFQGBXWQVGF-UHFFFAOYSA-N 1 0 325.412 3.268 20 5 EGBDRO CCC[C@@H](C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)OC ZINC000602675877 460059299 /nfs/dbraw/zinc/05/92/99/460059299.db2.gz WLSYJKIVZHAISK-QMMMGPOBSA-N 1 0 337.239 3.324 20 5 EGBDRO C[C@H]1CCC[C@]1(O)C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602677598 460059375 /nfs/dbraw/zinc/05/93/75/460059375.db2.gz XDYFDZLRETXRIN-HZMBPMFUSA-N 1 0 332.322 3.254 20 5 EGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2CCOc3ccccc32)n1 ZINC000618561692 460061147 /nfs/dbraw/zinc/06/11/47/460061147.db2.gz LXBGNKYARIRZTB-OWCLPIDISA-N 1 0 342.399 3.388 20 5 EGBDRO CC(C)c1cc(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)on1 ZINC000618568448 460064625 /nfs/dbraw/zinc/06/46/25/460064625.db2.gz UIISMPSAXJAFHL-DZGCQCFKSA-N 1 0 333.392 3.176 20 5 EGBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)cc1 ZINC000589300185 460068467 /nfs/dbraw/zinc/06/84/67/460068467.db2.gz AKMGLZQPIZUBAN-QZTJIDSGSA-N 1 0 346.427 3.397 20 5 EGBDRO CCCC[C@@H](C)[N@H+](C)CC(=O)Nc1ccc(OCC)cc1[N+](=O)[O-] ZINC000589309198 460069836 /nfs/dbraw/zinc/06/98/36/460069836.db2.gz ZTSCFBOUZYHZMK-CYBMUJFWSA-N 1 0 337.420 3.443 20 5 EGBDRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000597854308 460080135 /nfs/dbraw/zinc/08/01/35/460080135.db2.gz FZNQTAXCGPENFF-LLVKDONJSA-N 1 0 339.823 3.098 20 5 EGBDRO CCc1ccc(C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000597862292 460084398 /nfs/dbraw/zinc/08/43/98/460084398.db2.gz ZLAMPCYEVJFSBF-CYBMUJFWSA-N 1 0 333.432 3.007 20 5 EGBDRO COc1cccc([C@@H](C[NH2+]CCc2ccc([N+](=O)[O-])cc2)OC)c1 ZINC000602721566 460086428 /nfs/dbraw/zinc/08/64/28/460086428.db2.gz URWQOSOPTSRRSW-GOSISDBHSA-N 1 0 330.384 3.123 20 5 EGBDRO Cc1cc(NC(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)ccc1[N+](=O)[O-] ZINC000594080567 460091622 /nfs/dbraw/zinc/09/16/22/460091622.db2.gz KRDKVPAWUYZNDD-GOEBONIOSA-N 1 0 332.404 3.042 20 5 EGBDRO Cc1cc(NC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)ccc1[N+](=O)[O-] ZINC000594080569 460091837 /nfs/dbraw/zinc/09/18/37/460091837.db2.gz KRDKVPAWUYZNDD-ZBFHGGJFSA-N 1 0 332.404 3.042 20 5 EGBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+][C@@H]1CC[C@H]3CCC[C@H]3C1)OCCO2 ZINC000610271369 460101411 /nfs/dbraw/zinc/10/14/11/460101411.db2.gz KWWBGZUZHXVJPJ-VNHYZAJKSA-N 1 0 332.400 3.424 20 5 EGBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000597925532 460114280 /nfs/dbraw/zinc/11/42/80/460114280.db2.gz WQSHUZDXJUSUAI-HOTGVXAUSA-N 1 0 347.459 3.153 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H]1Cc1ccc(C)cc1 ZINC000602788888 460125486 /nfs/dbraw/zinc/12/54/86/460125486.db2.gz XJCRCFCDCIWVSG-KRWDZBQOSA-N 1 0 328.416 3.115 20 5 EGBDRO CC(C)(C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000594195127 460144029 /nfs/dbraw/zinc/14/40/29/460144029.db2.gz CFFCHCUMNIIJEV-IAGOWNOFSA-N 1 0 345.443 3.006 20 5 EGBDRO CCOc1ccc([C@@H](C)NC[C@H]2CCCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000599070623 460150854 /nfs/dbraw/zinc/15/08/54/460150854.db2.gz MBEIKPSISYKULF-HUUCEWRRSA-N 1 0 335.448 3.376 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCOc3ccccc3)CC2)s1 ZINC000610550385 460182388 /nfs/dbraw/zinc/18/23/88/460182388.db2.gz LGTOGIBPORDJQQ-UHFFFAOYSA-N 1 0 347.440 3.294 20 5 EGBDRO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000598221917 460210771 /nfs/dbraw/zinc/21/07/71/460210771.db2.gz YNFVYUXOEVZOKN-OAHLLOKOSA-N 1 0 331.416 3.040 20 5 EGBDRO C[N@H+](Cc1cn(CCc2ccc([N+](=O)[O-])cc2)nn1)C1CCCCC1 ZINC000603194502 460262388 /nfs/dbraw/zinc/26/23/88/460262388.db2.gz DOWQAGKIMVOXNM-UHFFFAOYSA-N 1 0 343.431 3.194 20 5 EGBDRO O=C(CN1CCCC(F)(F)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000599552197 460272792 /nfs/dbraw/zinc/27/27/92/460272792.db2.gz XDKSPDOHZFDFRQ-UHFFFAOYSA-N 1 0 347.749 3.308 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCC(F)(F)CC1 ZINC000599553299 460273724 /nfs/dbraw/zinc/27/37/24/460273724.db2.gz YYUCAXJPTCDSSZ-UHFFFAOYSA-N 1 0 341.358 3.353 20 5 EGBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000615243505 460298413 /nfs/dbraw/zinc/29/84/13/460298413.db2.gz YNJXUJQASOMHCK-OAHLLOKOSA-N 1 0 333.432 3.322 20 5 EGBDRO CCC(CC)[N@H+](CCOC)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611257722 460319217 /nfs/dbraw/zinc/31/92/17/460319217.db2.gz FFFVYIHXPVFSNO-UHFFFAOYSA-N 1 0 338.404 3.003 20 5 EGBDRO O=[N+]([O-])c1cccc(N2CC[NH+](Cc3nccc4ccccc43)CC2)c1 ZINC000611261559 460320215 /nfs/dbraw/zinc/32/02/15/460320215.db2.gz CUOQFWTZICOHEM-UHFFFAOYSA-N 1 0 348.406 3.465 20 5 EGBDRO Cc1ccncc1[C@H](C)[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000611299721 460332440 /nfs/dbraw/zinc/33/24/40/460332440.db2.gz DUWWHZMGUPYXCS-KBPBESRZSA-N 1 0 342.399 3.366 20 5 EGBDRO C[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC12CCC2 ZINC000611303396 460333842 /nfs/dbraw/zinc/33/38/42/460333842.db2.gz BWMKPQLQAKGSOA-CQSZACIVSA-N 1 0 331.416 3.436 20 5 EGBDRO CC[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C1CCCCC1 ZINC000611433634 460364575 /nfs/dbraw/zinc/36/45/75/460364575.db2.gz GDIZDHFZTNMJQZ-HNNXBMFYSA-N 1 0 349.431 3.490 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1cccc(N2CCC2=O)c1 ZINC000619674000 460409633 /nfs/dbraw/zinc/40/96/33/460409633.db2.gz VUWAYKGRBMEZKK-CQSZACIVSA-N 1 0 339.395 3.491 20 5 EGBDRO CC(C)(C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000619705878 460419737 /nfs/dbraw/zinc/41/97/37/460419737.db2.gz NXPWHZOXGOJZTN-UHFFFAOYSA-N 1 0 341.411 3.491 20 5 EGBDRO C[C@H]([NH2+]C1CCN(C(=O)c2ccco2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000178641465 533810412 /nfs/dbraw/zinc/81/04/12/533810412.db2.gz WZQQNURKGNPMRI-ZDUSSCGKSA-N 1 0 343.383 3.143 20 5 EGBDRO C[C@H]([NH2+][C@H]1CCN(c2ccccc2F)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000178655792 534004593 /nfs/dbraw/zinc/00/45/93/534004593.db2.gz ZJBDPZXCTPVRMS-LRDDRELGSA-N 1 0 343.358 3.190 20 5 EGBDRO CC(=O)N1CCC(CNc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000181502383 526538442 /nfs/dbraw/zinc/53/84/42/526538442.db2.gz LDZVWWJTCKLQOL-UHFFFAOYSA-N 1 0 342.399 3.122 20 5 EGBDRO CC1(C)C[C@H]([NH2+]Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C(C)(C)O1 ZINC000132681218 527745289 /nfs/dbraw/zinc/74/52/89/527745289.db2.gz WZAZJXBCULERJJ-ZDUSSCGKSA-N 1 0 346.387 3.081 20 5 EGBDRO CC[C@@H]([NH2+][C@H](C)C(=O)N1CCCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000178675826 529204367 /nfs/dbraw/zinc/20/43/67/529204367.db2.gz HAOHZXXOTOELFW-RHSMWYFYSA-N 1 0 333.432 3.427 20 5 EGBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@H](O)c1c(F)cccc1F ZINC000266292487 535918604 /nfs/dbraw/zinc/91/86/04/535918604.db2.gz KBBSYCOEPDHHCM-RDJZCZTQSA-N 1 0 336.338 3.475 20 5 EGBDRO COC[C@@H]1CCC[N@@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000246734877 536761519 /nfs/dbraw/zinc/76/15/19/536761519.db2.gz LQGSUIXZAAPBLQ-CHWSQXEVSA-N 1 0 346.387 3.064 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]CC1=Cc2ccccc2OC1 ZINC000171765069 536955455 /nfs/dbraw/zinc/95/54/55/536955455.db2.gz KGOXVXVXVYOYGI-UHFFFAOYSA-N 1 0 326.352 3.169 20 5 EGBDRO Cc1ccccc1[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CC1 ZINC000272098579 547345652 /nfs/dbraw/zinc/34/56/52/547345652.db2.gz ZDSRETPTKBBAGB-GOSISDBHSA-N 1 0 339.395 3.243 20 5 EGBDRO CC(C)Oc1ccc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000731679133 575199700 /nfs/dbraw/zinc/19/97/00/575199700.db2.gz XOMMDZBEWBBSBN-SFHVURJKSA-N 1 0 330.384 3.205 20 5 EGBDRO O=C(C[NH2+]Cc1ccc([N+](=O)[O-])cc1)Nc1cccc2ccccc21 ZINC000732231481 575247512 /nfs/dbraw/zinc/24/75/12/575247512.db2.gz ZTFJERCSCSZBAO-UHFFFAOYSA-N 1 0 335.363 3.476 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H](CO)C3CC3)o2)c(Cl)c1 ZINC000734161462 575450017 /nfs/dbraw/zinc/45/00/17/575450017.db2.gz RYRJRALXQSWBRX-OAHLLOKOSA-N 1 0 336.775 3.369 20 5 EGBDRO Cc1cc(C(=O)O[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc([N+](=O)[O-])c1 ZINC000735210559 575622095 /nfs/dbraw/zinc/62/20/95/575622095.db2.gz AHTSVWXKMGSIGO-GOSISDBHSA-N 1 0 340.379 3.335 20 5 EGBDRO CC[C@@H](C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl)[NH+](CC)CC ZINC000735994139 575749200 /nfs/dbraw/zinc/74/92/00/575749200.db2.gz CFACWQXSUGXKJC-HNNXBMFYSA-N 1 0 341.839 3.327 20 5 EGBDRO CC(C)[C@@H](C(=O)OCc1cc(F)ccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000741012575 576645867 /nfs/dbraw/zinc/64/58/67/576645867.db2.gz PDCNMMYKCRXZLU-INIZCTEOSA-N 1 0 338.379 3.288 20 5 EGBDRO C[NH+](C)[C@H](CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000049487946 1291629961 /nfs/dbraw/zinc/62/99/61/1291629961.db2.gz GDAJGNUKHDWWCO-LVMGUKCRSA-N 1 0 339.395 3.027 20 5 EGBDRO C[C@@H]([NH2+]C[C@@H]1CN(C2CCCCC2)C(=O)O1)c1cccc([N+](=O)[O-])c1 ZINC000828147385 1292437417 /nfs/dbraw/zinc/43/74/17/1292437417.db2.gz ANRDZCDRHKXXRY-CXAGYDPISA-N 1 0 347.415 3.399 20 5 EGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)C[C@]1(O)CCc2ccccc21 ZINC000829337807 1292563688 /nfs/dbraw/zinc/56/36/88/1292563688.db2.gz MEVDNSSYKLRRKZ-AUUYWEPGSA-N 1 0 326.396 3.422 20 5 EGBDRO Cc1ccc(C[N@@H+](C)[C@@H](C)CNC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000093360151 1292917789 /nfs/dbraw/zinc/91/77/89/1292917789.db2.gz DAHXHNWOYXFQSY-ZDUSSCGKSA-N 1 0 337.420 3.248 20 5 EGBDRO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000832072770 1292952388 /nfs/dbraw/zinc/95/23/88/1292952388.db2.gz UIZVGULFNMZSKR-OLZOCXBDSA-N 1 0 326.780 3.070 20 5 EGBDRO CCOCCC[N@@H+]1CC[C@@H](NCc2ccc(C)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000115628088 1293192505 /nfs/dbraw/zinc/19/25/05/1293192505.db2.gz RIHCSKNHBIMFRP-SJLPKXTDSA-N 1 0 349.475 3.130 20 5 EGBDRO O=C1N(C[N@@H+]2CCC3(CCCC3)C2)CCN1c1ccccc1[N+](=O)[O-] ZINC000154771049 1294069484 /nfs/dbraw/zinc/06/94/84/1294069484.db2.gz ACZNDNKRGUWFAJ-UHFFFAOYSA-N 1 0 344.415 3.060 20 5 EGBDRO O=[N+]([O-])c1cn(C[N@@H+]2CC[C@H](c3ccccc3)C2)nc1-c1ccncc1 ZINC000172898795 1294448324 /nfs/dbraw/zinc/44/83/24/1294448324.db2.gz DRVQBRWYSNBTEN-KRWDZBQOSA-N 1 0 349.394 3.300 20 5 EGBDRO CC[NH+](CC)CCSCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000174025194 1294476791 /nfs/dbraw/zinc/47/67/91/1294476791.db2.gz PAHVULAOHIICRB-UHFFFAOYSA-N 1 0 345.852 3.262 20 5 EGBDRO Cc1cc(C(=O)NCCC2CC[NH+](C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000870960895 1296156043 /nfs/dbraw/zinc/15/60/43/1296156043.db2.gz RHUFGADXTRJAMW-UHFFFAOYSA-N 1 0 333.432 3.144 20 5 EGBDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000255066595 1296494832 /nfs/dbraw/zinc/49/48/32/1296494832.db2.gz OHGZMBZTFDWVFP-JXMNSVBMSA-N 1 0 345.443 3.236 20 5 EGBDRO O=[N+]([O-])c1ccc(F)cc1CN1CC[NH2+]C[C@@H]1c1cccc(F)c1 ZINC000262271259 1296624825 /nfs/dbraw/zinc/62/48/25/1296624825.db2.gz SOBNNIXFJKORPC-QGZVFWFLSA-N 1 0 333.338 3.020 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCc1cnn(C)c1 ZINC000872030480 1296680096 /nfs/dbraw/zinc/68/00/96/1296680096.db2.gz GEDUQJCKZKRFKN-GFCCVEGCSA-N 1 0 334.445 3.334 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCNc1ccccn1 ZINC000872039018 1296689605 /nfs/dbraw/zinc/68/96/05/1296689605.db2.gz QUSIDHGNVMIRDF-LBPRGKRZSA-N 1 0 332.429 3.474 20 5 EGBDRO COC[C@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC)[C@@H]1CCCO1 ZINC000872066322 1296712290 /nfs/dbraw/zinc/71/22/90/1296712290.db2.gz HBVFOPKQYNJCFG-CQDKDKBSSA-N 1 0 340.445 3.161 20 5 EGBDRO CCn1cccc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2SC)c1=O ZINC000872067932 1296715362 /nfs/dbraw/zinc/71/53/62/1296715362.db2.gz SRSHWNRMHYNVNK-GFCCVEGCSA-N 1 0 347.440 3.349 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCc1nccnc1C ZINC000872073316 1296718152 /nfs/dbraw/zinc/71/81/52/1296718152.db2.gz OQLHEQOOBRPDKV-LLVKDONJSA-N 1 0 332.429 3.308 20 5 EGBDRO O=[N+]([O-])c1ccc(CN2CCC[N@H+](Cc3ccccc3)CC2)cc1F ZINC000323646691 1297200247 /nfs/dbraw/zinc/20/02/47/1297200247.db2.gz VEFFIYAAMRXWCN-UHFFFAOYSA-N 1 0 343.402 3.442 20 5 EGBDRO Cc1c(C[NH2+]CC2(N3CCCCC3)CCOCC2)cccc1[N+](=O)[O-] ZINC000873051744 1297248842 /nfs/dbraw/zinc/24/88/42/1297248842.db2.gz OCLNVBZSJGULKE-UHFFFAOYSA-N 1 0 347.459 3.028 20 5 EGBDRO O=[N+]([O-])c1cc(Br)ccc1N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000711584198 1298262712 /nfs/dbraw/zinc/26/27/12/1298262712.db2.gz MXEKKIFBNMNNSK-OLZOCXBDSA-N 1 0 326.194 3.054 20 5 EGBDRO CC(C)[NH+]1CCC(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000875680430 1298439850 /nfs/dbraw/zinc/43/98/50/1298439850.db2.gz WBIOYTRHIQFEQL-UHFFFAOYSA-N 1 0 325.796 3.307 20 5 EGBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000855162128 1325357968 /nfs/dbraw/zinc/35/79/68/1325357968.db2.gz VGUXEQXKCZDNLJ-NSHDSACASA-N 1 0 339.823 3.098 20 5 EGBDRO CSc1ccc(C(=O)OCCC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000747759462 1298856203 /nfs/dbraw/zinc/85/62/03/1298856203.db2.gz DOHLHNNSBCTRSV-UHFFFAOYSA-N 1 0 338.429 3.350 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000876778864 1298979962 /nfs/dbraw/zinc/97/99/62/1298979962.db2.gz PWQQQNXGYPFKGT-OAHLLOKOSA-N 1 0 346.349 3.347 20 5 EGBDRO CCC(CC)(CC(=O)OC)[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000749287065 1299187113 /nfs/dbraw/zinc/18/71/13/1299187113.db2.gz AGDLIDZBEGHMNJ-UHFFFAOYSA-N 1 0 328.796 3.460 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCC[C@H](C2(C)OCCO2)C1 ZINC000877316433 1299247304 /nfs/dbraw/zinc/24/73/04/1299247304.db2.gz ZLXBROWRHSUNEJ-HNNXBMFYSA-N 1 0 334.416 3.187 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@H]2CCCc3ccccc32)c1 ZINC000749670291 1299253641 /nfs/dbraw/zinc/25/36/41/1299253641.db2.gz KOGHTDRSUXBFMN-APWZRJJASA-N 1 0 326.396 3.338 20 5 EGBDRO C[C@@H]1c2ccc(F)cc2CC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750080132 1299335691 /nfs/dbraw/zinc/33/56/91/1299335691.db2.gz HZFUFRWQWRRACH-KZULUSFZSA-N 1 0 330.359 3.387 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@](CO)(c2ccccc2)C1 ZINC000877544787 1299386988 /nfs/dbraw/zinc/38/69/88/1299386988.db2.gz XEOYDJIIJKAMAU-FQEVSTJZSA-N 1 0 340.423 3.348 20 5 EGBDRO C[C@H]1C[C@@H](CC[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCO1 ZINC000753587045 1299981994 /nfs/dbraw/zinc/98/19/94/1299981994.db2.gz NOLJSFHOGFCCMU-HOTGVXAUSA-N 1 0 347.459 3.358 20 5 EGBDRO C[C@H](Cc1cnccn1)[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000753946505 1300051253 /nfs/dbraw/zinc/05/12/53/1300051253.db2.gz IBNPNCJMBQLPMA-RKVPGOIHSA-N 1 0 340.427 3.317 20 5 EGBDRO CC1(C)OCC([NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CO1 ZINC000757704295 1300715201 /nfs/dbraw/zinc/71/52/01/1300715201.db2.gz IZJKUBPDHJBGKX-CZUORRHYSA-N 1 0 334.416 3.047 20 5 EGBDRO Cc1ccc(-c2noc(CCCC[NH+]3CCCC3)n2)cc1[N+](=O)[O-] ZINC000761637818 1301513596 /nfs/dbraw/zinc/51/35/96/1301513596.db2.gz GILOSLKUKMTECT-UHFFFAOYSA-N 1 0 330.388 3.372 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CC[C@@H](c3c(F)cccc3F)C2)cc1 ZINC000769225503 1303075722 /nfs/dbraw/zinc/07/57/22/1303075722.db2.gz OVWHDHXVGVHXNZ-DYVFJYSZSA-N 1 0 348.349 3.396 20 5 EGBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000770017041 1303208838 /nfs/dbraw/zinc/20/88/38/1303208838.db2.gz SOGODJLYDNWWCM-LLVKDONJSA-N 1 0 340.811 3.244 20 5 EGBDRO C[C@@H](NC(=O)c1cc(F)ccc1[N+](=O)[O-])[C@@H](c1ccccc1)[NH+](C)C ZINC000770042906 1303212255 /nfs/dbraw/zinc/21/22/55/1303212255.db2.gz BVRBZPQPSGRDGA-PXAZEXFGSA-N 1 0 345.374 3.155 20 5 EGBDRO CC[NH+](CC)CCOC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000772299074 1303516126 /nfs/dbraw/zinc/51/61/26/1303516126.db2.gz BDQXFAGDOQEWJJ-UHFFFAOYSA-N 1 0 346.836 3.225 20 5 EGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccc2c1OCCO2 ZINC000772981603 1303602101 /nfs/dbraw/zinc/60/21/01/1303602101.db2.gz FVVKQHVDVCUQTA-CQSZACIVSA-N 1 0 342.395 3.477 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@]1(O)CCc2ccccc21 ZINC000773098580 1303624662 /nfs/dbraw/zinc/62/46/62/1303624662.db2.gz MYKAAHXKXAZEFR-AUUYWEPGSA-N 1 0 326.396 3.388 20 5 EGBDRO C[C@@H]1C[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@H](C)O1 ZINC000773141162 1303632464 /nfs/dbraw/zinc/63/24/64/1303632464.db2.gz ZMBAQBYVFJMEHY-MIFYACCESA-N 1 0 333.432 3.109 20 5 EGBDRO COc1ccc([C@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000774408858 1303806670 /nfs/dbraw/zinc/80/66/70/1303806670.db2.gz JLTISEKOMFICNI-RTBURBONSA-N 1 0 342.395 3.378 20 5 EGBDRO COCC[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H]1CC[C@H](C)C1 ZINC000775115969 1303911999 /nfs/dbraw/zinc/91/19/99/1303911999.db2.gz RDZFUGVWOBDEJP-JSGCOSHPSA-N 1 0 337.376 3.140 20 5 EGBDRO CCC1(CC)[C@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@H](C)[C@H]1OC ZINC000776154519 1304102746 /nfs/dbraw/zinc/10/27/46/1304102746.db2.gz ADQXJAAWWBJLPG-KKBVYLPWSA-N 1 0 336.432 3.058 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CC2(c3ccc(F)cc3)CC2)cc1 ZINC000776274486 1304125713 /nfs/dbraw/zinc/12/57/13/1304125713.db2.gz DIPPECJMBAWHNH-QGZVFWFLSA-N 1 0 330.359 3.089 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+](Cc2ccccc2F)C2CC2)cc1 ZINC000776280380 1304127881 /nfs/dbraw/zinc/12/78/81/1304127881.db2.gz ZBJRGUGIESEWML-SFHVURJKSA-N 1 0 330.359 3.432 20 5 EGBDRO C[C@@]1([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCCc2ccccc21 ZINC000776592413 1304177600 /nfs/dbraw/zinc/17/76/00/1304177600.db2.gz ONNJPJVLAYCPLD-RTBURBONSA-N 1 0 326.396 3.470 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)ON=C(N)C[N@@H+]1CCCC[C@H]1C ZINC000778593468 1304471893 /nfs/dbraw/zinc/47/18/93/1304471893.db2.gz ZWAWBQJABKHFDI-ZIAGYGMSSA-N 1 0 334.420 3.337 20 5 EGBDRO CSc1ccc(C(=O)N2CCC([NH2+]C3CCC3)CC2)cc1[N+](=O)[O-] ZINC000889838983 1304602304 /nfs/dbraw/zinc/60/23/04/1304602304.db2.gz TZWGLQVREPIWDF-UHFFFAOYSA-N 1 0 349.456 3.063 20 5 EGBDRO Cc1ccncc1[C@@H](C)[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000782531084 1304985866 /nfs/dbraw/zinc/98/58/66/1304985866.db2.gz NGRYOFCHOJZJQO-GFCCVEGCSA-N 1 0 346.362 3.117 20 5 EGBDRO Cc1cccc(C)c1N(C[C@H](C)[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000891576175 1305096499 /nfs/dbraw/zinc/09/64/99/1305096499.db2.gz XVUYTVQQQUYEAW-AWEZNQCLSA-N 1 0 345.399 3.402 20 5 EGBDRO COc1c(O)ccc(C[N@@H+]2CC[C@@H]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000892129505 1305260006 /nfs/dbraw/zinc/26/00/06/1305260006.db2.gz ARGFOLXOWLSUJV-OAHLLOKOSA-N 1 0 328.368 3.126 20 5 EGBDRO COc1c(O)ccc(C[NH2+][C@@H]2CCCc3ccccc32)c1[N+](=O)[O-] ZINC000892422806 1305365854 /nfs/dbraw/zinc/36/58/54/1305365854.db2.gz IXEPJOQQXABHSD-OAHLLOKOSA-N 1 0 328.368 3.476 20 5 EGBDRO CCC(CC)(C[NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-])SC ZINC000893094806 1305703908 /nfs/dbraw/zinc/70/39/08/1305703908.db2.gz PWPYTDDDAYQWPO-UHFFFAOYSA-N 1 0 328.434 3.320 20 5 EGBDRO CC[C@@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000787994012 1305840816 /nfs/dbraw/zinc/84/08/16/1305840816.db2.gz AGNMQTDIFRGHJT-MFKMUULPSA-N 1 0 325.796 3.355 20 5 EGBDRO CC[C@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000787994010 1305841781 /nfs/dbraw/zinc/84/17/81/1305841781.db2.gz AGNMQTDIFRGHJT-GWCFXTLKSA-N 1 0 325.796 3.355 20 5 EGBDRO C[C@@H]([NH2+]CC(C)(C)N1CCC[C@H](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788562997 1305971697 /nfs/dbraw/zinc/97/16/97/1305971697.db2.gz MXGIFWHWKMJLDE-UONOGXRCSA-N 1 0 334.464 3.338 20 5 EGBDRO C[C@@H]([NH2+]Cc1ccccc1-n1ccnc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788563421 1305972384 /nfs/dbraw/zinc/97/23/84/1305972384.db2.gz POMCXXYRLCACLZ-CYBMUJFWSA-N 1 0 337.383 3.214 20 5 EGBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])[C@]12CCCO2 ZINC000893577842 1305974574 /nfs/dbraw/zinc/97/45/74/1305974574.db2.gz BYWLVQPENZEFNT-ARFHVFGLSA-N 1 0 340.807 3.064 20 5 EGBDRO C[C@@H]([NH2+]C[C@@](C)(O)c1cccc(Cl)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788750390 1306007838 /nfs/dbraw/zinc/00/78/38/1306007838.db2.gz NHURRRBPBQOLQU-PIGZYNQJSA-N 1 0 349.818 3.389 20 5 EGBDRO CC(C)(CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)C[NH+]1CCCC1 ZINC000791892834 1309084047 /nfs/dbraw/zinc/08/40/47/1309084047.db2.gz WBEKSLIWCDODPA-UHFFFAOYSA-N 1 0 339.823 3.100 20 5 EGBDRO C[C@@]12CC[N@H+](CCOc3ccccc3[N+](=O)[O-])C[C@@H]1C2(Cl)Cl ZINC000792903376 1309255963 /nfs/dbraw/zinc/25/59/63/1309255963.db2.gz NVRZGUQUZKQAHZ-UONOGXRCSA-N 1 0 345.226 3.489 20 5 EGBDRO C[S@](=O)[C@H]1CCC[C@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000895327066 1309285308 /nfs/dbraw/zinc/28/53/08/1309285308.db2.gz BPNGYDAIIOYQBG-BYVOGVQKSA-N 1 0 330.837 3.028 20 5 EGBDRO CSC[C@H]1CCC[N@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000793797336 1309443489 /nfs/dbraw/zinc/44/34/89/1309443489.db2.gz ODYWVQBTFNJDHY-AWEZNQCLSA-N 1 0 346.456 3.491 20 5 EGBDRO CCC[C@@H](C)[C@H]1CCC[N@@H+]1Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000794631863 1309560669 /nfs/dbraw/zinc/56/06/69/1309560669.db2.gz DZDJMHHRSNXWMC-CHWSQXEVSA-N 1 0 333.388 3.361 20 5 EGBDRO Cc1nn(C[N@@H+]2CC[C@H](c3ccc(C)cc3C)C2)c(C)c1[N+](=O)[O-] ZINC000794668194 1309568482 /nfs/dbraw/zinc/56/84/82/1309568482.db2.gz YBDYNRHQEBHHBA-INIZCTEOSA-N 1 0 328.416 3.472 20 5 EGBDRO Cc1nn(C[N@@H+]2CC[C@@H](c3ccc(C)cc3C)C2)c(C)c1[N+](=O)[O-] ZINC000794668195 1309569202 /nfs/dbraw/zinc/56/92/02/1309569202.db2.gz YBDYNRHQEBHHBA-MRXNPFEDSA-N 1 0 328.416 3.472 20 5 EGBDRO C[N@H+](Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CCC(C)(C)C1 ZINC000794684617 1309573979 /nfs/dbraw/zinc/57/39/79/1309573979.db2.gz XMZOUKAMRIMHLT-OAHLLOKOSA-N 1 0 329.404 3.321 20 5 EGBDRO C[N@H+](Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CCC(C)(C)C1 ZINC000794684614 1309575030 /nfs/dbraw/zinc/57/50/30/1309575030.db2.gz XMZOUKAMRIMHLT-HNNXBMFYSA-N 1 0 329.404 3.321 20 5 EGBDRO Cc1nn(C[N@@H+]2CCC[C@@H](C(C)(C)C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000794703184 1309577687 /nfs/dbraw/zinc/57/76/87/1309577687.db2.gz AQALMPVZXFDKIV-CYBMUJFWSA-N 1 0 331.420 3.364 20 5 EGBDRO COC1(OC)CC2(C[N@H+](Cc3ccc([N+](=O)[O-])cc3)[C@@H]2C(C)C)C1 ZINC000895994919 1309637357 /nfs/dbraw/zinc/63/73/57/1309637357.db2.gz HVRACKRTODCWJJ-MRXNPFEDSA-N 1 0 334.416 3.204 20 5 EGBDRO COC(=O)Cc1ccccc1C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000795219603 1309699760 /nfs/dbraw/zinc/69/97/60/1309699760.db2.gz NVBIXRNOJHPPQZ-UHFFFAOYSA-N 1 0 342.395 3.335 20 5 EGBDRO CC(C)(C)OC(=O)N1CC(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000795221528 1309700255 /nfs/dbraw/zinc/70/02/55/1309700255.db2.gz OYQHQEBUEPYRPE-UHFFFAOYSA-N 1 0 349.431 3.286 20 5 EGBDRO C[C@](O)(C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(F)c1 ZINC000896561687 1309916902 /nfs/dbraw/zinc/91/69/02/1309916902.db2.gz PLTRMRFKDYUIQV-INIZCTEOSA-N 1 0 338.766 3.385 20 5 EGBDRO CC(C)(C(=O)OCCC[NH+]1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000796441903 1310000240 /nfs/dbraw/zinc/00/02/40/1310000240.db2.gz BUPBEACRGLUACY-UHFFFAOYSA-N 1 0 334.416 3.292 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](O)c1ccc(CC)cc1 ZINC000796451262 1310004502 /nfs/dbraw/zinc/00/45/02/1310004502.db2.gz MIMJPVLJWGQLSX-SFHVURJKSA-N 1 0 344.411 3.379 20 5 EGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CCO)Cc1ccccc1 ZINC000799731030 1310608076 /nfs/dbraw/zinc/60/80/76/1310608076.db2.gz KVJOWSLYXMZFFQ-LPHOPBHVSA-N 1 0 342.439 3.499 20 5 EGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(CCO)cc1 ZINC000898170500 1310611126 /nfs/dbraw/zinc/61/11/26/1310611126.db2.gz HKSGLVSYAJIYLN-OAHLLOKOSA-N 1 0 328.412 3.241 20 5 EGBDRO COC(=O)C1CCC([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000898610605 1310803412 /nfs/dbraw/zinc/80/34/12/1310803412.db2.gz CZAHIFUHAKJCNA-UHFFFAOYSA-N 1 0 326.780 3.070 20 5 EGBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801602165 1310973053 /nfs/dbraw/zinc/97/30/53/1310973053.db2.gz WZPOLOLFHQEVDY-UHFFFAOYSA-N 1 0 333.319 3.317 20 5 EGBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000820452808 1319893628 /nfs/dbraw/zinc/89/36/28/1319893628.db2.gz YPPBEDZBPGUXLZ-UHFFFAOYSA-N 1 0 337.395 3.081 20 5 EGBDRO CC[N@H+](CCNC(=O)c1cc(Cl)c(C)cc1[N+](=O)[O-])C(C)C ZINC000836697388 1320522376 /nfs/dbraw/zinc/52/23/76/1320522376.db2.gz MYLZXXHZKMOXCF-UHFFFAOYSA-N 1 0 327.812 3.017 20 5 EGBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000929223666 1328541149 /nfs/dbraw/zinc/54/11/49/1328541149.db2.gz ZRXPGGDOORSFEJ-AWEZNQCLSA-N 1 0 334.420 3.099 20 5 EGBDRO CC1(C)CC(NC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC(C)(C)[NH2+]1 ZINC000929685261 1328668370 /nfs/dbraw/zinc/66/83/70/1328668370.db2.gz HPYCGSNIJHTYQT-HOTGVXAUSA-N 1 0 345.443 3.124 20 5 EGBDRO CC(C)[NH+]1CCC(N(C)C(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000929726418 1328679511 /nfs/dbraw/zinc/67/95/11/1328679511.db2.gz VTBPOFDUTZLJPV-MSOLQXFVSA-N 1 0 345.443 3.030 20 5 EGBDRO COc1ccc([C@H](C[NH2+]CC[N+](=O)[O-])c2c[nH]c3ccccc32)cc1 ZINC000899858840 1317187520 /nfs/dbraw/zinc/18/75/20/1317187520.db2.gz CRTPNOWQOYRRFU-KRWDZBQOSA-N 1 0 339.395 3.175 20 5 EGBDRO Nc1ccc(NC[C@@H](c2ccccc2)[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000804325969 1317219335 /nfs/dbraw/zinc/21/93/35/1317219335.db2.gz BVTWQHOSGXKELO-SFHVURJKSA-N 1 0 326.400 3.426 20 5 EGBDRO C[NH+](C)[C@H](CNc1c([N+](=O)[O-])cccc1[N+](=O)[O-])c1cccc(F)c1 ZINC000804326117 1317219705 /nfs/dbraw/zinc/21/97/05/1317219705.db2.gz HOULKCWXOQGWQL-OAHLLOKOSA-N 1 0 348.334 3.357 20 5 EGBDRO CC[NH+](CC)CCO[C@H]1CCN(c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000804531755 1317255708 /nfs/dbraw/zinc/25/57/08/1317255708.db2.gz SBLLSXKXEIXJIP-AWEZNQCLSA-N 1 0 341.839 3.185 20 5 EGBDRO C[C@H]1CN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC[C@@H]1C[NH3+] ZINC000900381597 1317283515 /nfs/dbraw/zinc/28/35/15/1317283515.db2.gz WDDLDTBDJOWNCQ-GXTWGEPZSA-N 1 0 344.390 3.217 20 5 EGBDRO C[C@@H]1C[C@@H](c2cccnc2)[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000805750508 1317417301 /nfs/dbraw/zinc/41/73/01/1317417301.db2.gz NLGVRAXAFPYQBT-JEBQAFNWSA-N 1 0 327.384 3.106 20 5 EGBDRO C[C@@H]([NH3+])[C@H]1CCCCN1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000903713537 1317724491 /nfs/dbraw/zinc/72/44/91/1317724491.db2.gz UQBNCTVNFLQRQN-ZWNOBZJWSA-N 1 0 342.237 3.059 20 5 EGBDRO [NH3+]CCN(Cc1cnc(-c2ccco2)s1)c1ccc([N+](=O)[O-])cc1 ZINC000809734838 1317883520 /nfs/dbraw/zinc/88/35/20/1317883520.db2.gz MBLCHMZPCHDSHB-UHFFFAOYSA-N 1 0 344.396 3.277 20 5 EGBDRO C[NH+](C)CCN(Cc1ccco1)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000809746478 1317888962 /nfs/dbraw/zinc/88/89/62/1317888962.db2.gz UKRIMFSVJHCWNX-UHFFFAOYSA-N 1 0 337.807 3.405 20 5 EGBDRO O=[N+]([O-])c1ccc(NC[C@H]2C[NH2+]CCC2(F)F)nc1-c1ccccc1 ZINC000905679634 1317980524 /nfs/dbraw/zinc/98/05/24/1317980524.db2.gz YRRBXLSXCITZIG-CYBMUJFWSA-N 1 0 348.353 3.314 20 5 EGBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1)C1CCC=CCC1 ZINC001021063961 1318066429 /nfs/dbraw/zinc/06/64/29/1318066429.db2.gz VAZPPLRWKGCCCV-SHTZXODSSA-N 1 0 349.456 3.140 20 5 EGBDRO C[NH2+]Cc1cccc(NC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC000906626545 1318129459 /nfs/dbraw/zinc/12/94/59/1318129459.db2.gz GOXFNKNYRSEXEJ-IAGOWNOFSA-N 1 0 325.368 3.056 20 5 EGBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1CN[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000811479745 1318181818 /nfs/dbraw/zinc/18/18/18/1318181818.db2.gz KKFZMHBDFRTGNA-CYBMUJFWSA-N 1 0 344.242 3.476 20 5 EGBDRO CC(C)(C)NC(=O)CC[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811479290 1318181967 /nfs/dbraw/zinc/18/19/67/1318181967.db2.gz BNPRVYTUJXLYQY-UHFFFAOYSA-N 1 0 348.230 3.296 20 5 EGBDRO C[C@H]1CCC[N@@H+]1CCNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811486731 1318183707 /nfs/dbraw/zinc/18/37/07/1318183707.db2.gz MPZQVZAQHGWLOP-JTQLQIEISA-N 1 0 332.231 3.476 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)CCCC[NH+]1CCCC1 ZINC000908282023 1318322951 /nfs/dbraw/zinc/32/29/51/1318322951.db2.gz RZAPYVZUTOIQLB-UHFFFAOYSA-N 1 0 335.404 3.198 20 5 EGBDRO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CC(C)(C)C ZINC000812893267 1318475459 /nfs/dbraw/zinc/47/54/59/1318475459.db2.gz QZTCTKHWWIJVJL-UHFFFAOYSA-N 1 0 325.384 3.431 20 5 EGBDRO C[C@@H]1CN(c2c(F)cc([N+](=O)[O-])cc2F)CC[N@@H+](C2CCC2)C1 ZINC000813630130 1318610035 /nfs/dbraw/zinc/61/00/35/1318610035.db2.gz HWZQZMCMXYPHSS-NSHDSACASA-N 1 0 325.359 3.184 20 5 EGBDRO O=C(CC1CCCCC1)N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001021808889 1318693221 /nfs/dbraw/zinc/69/32/21/1318693221.db2.gz FXOADVWVWKSTKZ-CALCHBBNSA-N 1 0 345.443 3.302 20 5 EGBDRO CC[C@@](C)(CC(=O)OC)[NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000815073356 1318883512 /nfs/dbraw/zinc/88/35/12/1318883512.db2.gz KIKRMRUOQKJSDP-AWEZNQCLSA-N 1 0 348.321 3.435 20 5 EGBDRO Cc1c(C(=O)N2CCCC[C@@H]2[C@H](C)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000912816374 1318941319 /nfs/dbraw/zinc/94/13/19/1318941319.db2.gz YIZSNSMSXPYIIG-CZUORRHYSA-N 1 0 333.432 3.096 20 5 EGBDRO CC(C)(C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)C1CCC1 ZINC001022500689 1318966395 /nfs/dbraw/zinc/96/63/95/1318966395.db2.gz YIICBGVUEBQLIE-IYBDPMFKSA-N 1 0 345.443 3.158 20 5 EGBDRO COc1ccccc1OCCC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815574701 1319017745 /nfs/dbraw/zinc/01/77/45/1319017745.db2.gz AIQFQORMFPEFMM-CYBMUJFWSA-N 1 0 345.399 3.305 20 5 EGBDRO CCn1nc(C)c(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])n1 ZINC000818345969 1319533073 /nfs/dbraw/zinc/53/30/73/1319533073.db2.gz YXXGIXZJPQSAJH-ZBFHGGJFSA-N 1 0 343.431 3.016 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCCSc2ccccc2)cc1 ZINC000818942154 1319582471 /nfs/dbraw/zinc/58/24/71/1319582471.db2.gz GHNRXLWUHNNPOM-QGZVFWFLSA-N 1 0 332.425 3.400 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCc2ccc(Cl)s2)c1 ZINC000818961118 1319591806 /nfs/dbraw/zinc/59/18/06/1319591806.db2.gz MABPVMNKPKSCHN-ZDUSSCGKSA-N 1 0 326.805 3.175 20 5 EGBDRO CCNc1ccc(C(=O)OCC[C@H]2CCCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000916113764 1319604825 /nfs/dbraw/zinc/60/48/25/1319604825.db2.gz UWANLEWPJMUXIK-CQSZACIVSA-N 1 0 335.404 3.058 20 5 EGBDRO CCc1cccc2c1OCC[C@@H]2[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818997903 1319610058 /nfs/dbraw/zinc/61/00/58/1319610058.db2.gz NQPPDUVMMGWODA-ROUUACIJSA-N 1 0 342.395 3.304 20 5 EGBDRO Cc1[nH]c2ccccc2c1CC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819005492 1319611419 /nfs/dbraw/zinc/61/14/19/1319611419.db2.gz RMPGCLHDIFFKGL-LJQANCHMSA-N 1 0 339.395 3.250 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@H]2CCc3ccccc3C2)c1 ZINC000819082153 1319630163 /nfs/dbraw/zinc/63/01/63/1319630163.db2.gz RPMQOFTZHNFCGM-LIRRHRJNSA-N 1 0 326.396 3.023 20 5 EGBDRO Cc1cc(C)cc(C[C@H](C)[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000819110929 1319637719 /nfs/dbraw/zinc/63/77/19/1319637719.db2.gz KRYHVFJQIDGDDY-KXBFYZLASA-N 1 0 328.412 3.466 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@H]2SCCc3ccccc32)c1 ZINC000819132658 1319643485 /nfs/dbraw/zinc/64/34/85/1319643485.db2.gz GTYFDVZHRYAFSF-ZWKOTPCHSA-N 1 0 344.436 3.248 20 5 EGBDRO CC[C@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)Oc1ccccc1F ZINC000819134039 1319644242 /nfs/dbraw/zinc/64/42/42/1319644242.db2.gz DJEYBTAZCBRTQM-NVXWUHKLSA-N 1 0 348.374 3.215 20 5 EGBDRO CCCCCn1cc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)c(C)n1 ZINC000819201095 1319666396 /nfs/dbraw/zinc/66/63/96/1319666396.db2.gz HAOAJSHJTDFUDN-GOSISDBHSA-N 1 0 346.431 3.113 20 5 EGBDRO CC(C)(C)OC1CC(CC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819264401 1319683327 /nfs/dbraw/zinc/68/33/27/1319683327.db2.gz SVLZRUTYQASDNL-IMRCBTMISA-N 1 0 336.432 3.202 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2C[C@H]2c2ccc(Cl)cc2)c1 ZINC000819281568 1319688245 /nfs/dbraw/zinc/68/82/45/1319688245.db2.gz KLAGCRPSHUHDJN-GVDBMIGSSA-N 1 0 332.787 3.427 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H]2C[C@H](c3ccccc3F)C2)c1 ZINC000819284312 1319690158 /nfs/dbraw/zinc/69/01/58/1319690158.db2.gz ZWWLXCCMIZHZGK-DEYYWGMASA-N 1 0 330.359 3.303 20 5 EGBDRO C[C@@]1(CC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1(Cl)Cl ZINC000819348928 1319706906 /nfs/dbraw/zinc/70/69/06/1319706906.db2.gz JEPCZPQUELQZSU-QWHCGFSZSA-N 1 0 333.215 3.192 20 5 EGBDRO COc1cccc(CC[NH2+]Cc2cccc([N+](=O)[O-])c2C)c1OC ZINC000917138046 1319762030 /nfs/dbraw/zinc/76/20/30/1319762030.db2.gz RGPRQMRYFYOVSQ-UHFFFAOYSA-N 1 0 330.384 3.253 20 5 EGBDRO CC1CCC([N@H+](C)Cn2cc(Br)c([N+](=O)[O-])n2)CC1 ZINC000917614985 1319850256 /nfs/dbraw/zinc/85/02/56/1319850256.db2.gz CIGKHAAVADNSIX-UHFFFAOYSA-N 1 0 331.214 3.022 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000820317395 1319868368 /nfs/dbraw/zinc/86/83/68/1319868368.db2.gz DELYPSRLIKZIIF-OAHLLOKOSA-N 1 0 333.432 3.158 20 5 EGBDRO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C[C@@](C)(O)c1ccccc1 ZINC000823590641 1320189807 /nfs/dbraw/zinc/18/98/07/1320189807.db2.gz GAONKOUUXOBQMJ-GOSISDBHSA-N 1 0 341.367 3.076 20 5 EGBDRO CC[NH+](CC)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1F)c1ccco1 ZINC000824244380 1320241757 /nfs/dbraw/zinc/24/17/57/1320241757.db2.gz HLBVNUXIFZOZER-HNNXBMFYSA-N 1 0 349.362 3.140 20 5 EGBDRO C[N@@H+]1CCCC[C@@H]1CCOC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000824285221 1320244367 /nfs/dbraw/zinc/24/43/67/1320244367.db2.gz BXTOARGFKLKEPP-GFCCVEGCSA-N 1 0 326.780 3.279 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)cc1Cl ZINC000837190500 1320584000 /nfs/dbraw/zinc/58/40/00/1320584000.db2.gz LIAPITBZKQLRAE-LBPRGKRZSA-N 1 0 339.823 3.111 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C(=O)NCC[C@H]2CCC[N@@H+](C)C2)cc1Cl ZINC000838148607 1320735734 /nfs/dbraw/zinc/73/57/34/1320735734.db2.gz JPZQUBXTSVANIE-GFCCVEGCSA-N 1 0 339.823 3.018 20 5 EGBDRO COC[C@]1(C)CCN(Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000930602817 1328910731 /nfs/dbraw/zinc/91/07/31/1328910731.db2.gz DKUXOPZGEQQKIQ-CQSZACIVSA-N 1 0 343.221 3.216 20 5 EGBDRO C[NH+](C)CCOc1ccc(NCc2ccc([N+](=O)[O-])cc2)cc1F ZINC000839189299 1320890291 /nfs/dbraw/zinc/89/02/91/1320890291.db2.gz QONZQCWGSDJEPZ-UHFFFAOYSA-N 1 0 333.363 3.286 20 5 EGBDRO C[NH+]1CCC2(CCCN(c3nccc4ccc([N+](=O)[O-])cc43)C2)CC1 ZINC000840297210 1321068392 /nfs/dbraw/zinc/06/83/92/1321068392.db2.gz HVKFPLRMBWEPDY-UHFFFAOYSA-N 1 0 340.427 3.455 20 5 EGBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C)CC2 ZINC000840409295 1321087458 /nfs/dbraw/zinc/08/74/58/1321087458.db2.gz IILZFLXZTPEAJZ-IHRRRGAJSA-N 1 0 331.416 3.054 20 5 EGBDRO [NH3+]C[C@H]1CC[C@H](CNC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000841010885 1321200255 /nfs/dbraw/zinc/20/02/55/1321200255.db2.gz KARMLJUOCLSWEG-XYPYZODXSA-N 1 0 340.811 3.135 20 5 EGBDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000841233387 1321236913 /nfs/dbraw/zinc/23/69/13/1321236913.db2.gz RZLOPEQXKGYEKL-SNVBAGLBSA-N 1 0 328.800 3.085 20 5 EGBDRO O=C(NCCC[NH2+]C1CCCCC1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000842233239 1321364720 /nfs/dbraw/zinc/36/47/20/1321364720.db2.gz RCUQUIMKFOBEGZ-UHFFFAOYSA-N 1 0 339.823 3.290 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCCCC2)c(-c2nc([C@@H]3CCC[NH2+]3)no2)c1 ZINC000842643840 1321412627 /nfs/dbraw/zinc/41/26/27/1321412627.db2.gz ANSZIMDLMOJHBK-AWEZNQCLSA-N 1 0 343.387 3.060 20 5 EGBDRO CCC[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H](O)c1ccccc1 ZINC000843086525 1321467244 /nfs/dbraw/zinc/46/72/44/1321467244.db2.gz HBVNUYDHSSTGJU-FHWLQOOXSA-N 1 0 344.411 3.120 20 5 EGBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)c1nc(C2CC[NH2+]CC2)no1 ZINC000843136598 1321475798 /nfs/dbraw/zinc/47/57/98/1321475798.db2.gz HQZVVJKATAKQLC-JTQLQIEISA-N 1 0 334.401 3.298 20 5 EGBDRO Cc1c(Cc2noc(C[C@H](C)C3CC[NH2+]CC3)n2)cccc1[N+](=O)[O-] ZINC000843192876 1321484627 /nfs/dbraw/zinc/48/46/27/1321484627.db2.gz ZGOSVHIKSDTFTE-LBPRGKRZSA-N 1 0 344.415 3.055 20 5 EGBDRO CSc1cccc(C(=O)OC[C@@H]2CC[N@@H+]2C(C)(C)C)c1[N+](=O)[O-] ZINC000845730489 1321737573 /nfs/dbraw/zinc/73/75/73/1321737573.db2.gz IKKLOOGFHFCHBD-NSHDSACASA-N 1 0 338.429 3.346 20 5 EGBDRO CC[C@H](C(=O)O[C@H](c1ccccc1F)[C@@H](C)[N+](=O)[O-])[NH+](CC)CC ZINC000845873253 1321747464 /nfs/dbraw/zinc/74/74/64/1321747464.db2.gz CCLKFBDQAYNOKA-WQVCFCJDSA-N 1 0 340.395 3.196 20 5 EGBDRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000846987347 1321831090 /nfs/dbraw/zinc/83/10/90/1321831090.db2.gz FPYXVMDHFXMKTH-GFCCVEGCSA-N 1 0 339.823 3.113 20 5 EGBDRO C[C@H](COC(=O)CSc1ccc([N+](=O)[O-])cc1)[NH+]1CCCCC1 ZINC000847958296 1321915816 /nfs/dbraw/zinc/91/58/16/1321915816.db2.gz GZWAXQJFYLPSQL-CYBMUJFWSA-N 1 0 338.429 3.105 20 5 EGBDRO O=C(OCc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000848774463 1322005893 /nfs/dbraw/zinc/00/58/93/1322005893.db2.gz JLGIEWLHRPYOQU-QGZVFWFLSA-N 1 0 340.379 3.160 20 5 EGBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1nc2ccccn2c1[N+](=O)[O-] ZINC000919965368 1322122967 /nfs/dbraw/zinc/12/29/67/1322122967.db2.gz XBVSLKURPWRMOI-MGPQQGTHSA-N 1 0 331.420 3.021 20 5 EGBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1nc2ccccn2c1[N+](=O)[O-] ZINC000919965369 1322123143 /nfs/dbraw/zinc/12/31/43/1322123143.db2.gz XBVSLKURPWRMOI-MJBXVCDLSA-N 1 0 331.420 3.021 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H](CCO)Cc1ccccc1 ZINC000850466063 1322254320 /nfs/dbraw/zinc/25/43/20/1322254320.db2.gz BZHBYNXDYUNTOH-GDBMZVCRSA-N 1 0 344.411 3.248 20 5 EGBDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000852359923 1323182842 /nfs/dbraw/zinc/18/28/42/1323182842.db2.gz ZPPJBADGJZPWLL-CABCVRRESA-N 1 0 348.447 3.075 20 5 EGBDRO COc1cc(NC[C@H](C(C)C)[NH+]2CCCC2)c([N+](=O)[O-])cc1OC ZINC000853134622 1325054270 /nfs/dbraw/zinc/05/42/70/1325054270.db2.gz SCTXFEXGLHLXCM-OAHLLOKOSA-N 1 0 337.420 3.144 20 5 EGBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CCC[N@H+](CC3CC3)C2)c([N+](=O)[O-])c1 ZINC000853996772 1325199175 /nfs/dbraw/zinc/19/91/75/1325199175.db2.gz OEZZQFBAZYZWPW-ZDUSSCGKSA-N 1 0 334.376 3.037 20 5 EGBDRO C[NH+](C)[C@@H](CNc1cccc(Br)c1[N+](=O)[O-])C1CC1 ZINC000856729538 1325515215 /nfs/dbraw/zinc/51/52/15/1325515215.db2.gz YTMPGJYJUGQURT-LBPRGKRZSA-N 1 0 328.210 3.109 20 5 EGBDRO C[C@@H]([NH2+]C[C@@H]1CCCN1CC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000926927090 1327780662 /nfs/dbraw/zinc/78/06/62/1327780662.db2.gz RWGUSLFOLUOTJH-RISCZKNCSA-N 1 0 331.338 3.272 20 5 EGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCc1nc2c(s1)CCC2 ZINC000926929601 1327782163 /nfs/dbraw/zinc/78/21/63/1327782163.db2.gz OTEPRIIMZIGDFG-CYBMUJFWSA-N 1 0 329.425 3.360 20 5 EGBDRO CC(C)[C@H]([NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-])c1cnn(C)c1 ZINC000927068757 1327840094 /nfs/dbraw/zinc/84/00/94/1327840094.db2.gz VRUSKQBKNULYBZ-SJCJKPOMSA-N 1 0 334.395 3.385 20 5 EGBDRO C[C@@H](C[N@H+](C)C/C=C\c1ccccc1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000862541579 1329494899 /nfs/dbraw/zinc/49/48/99/1329494899.db2.gz WYKLMUZWVCIGHS-GDAGCXPBSA-N 1 0 349.431 3.453 20 5 EGBDRO Cc1nc(CC2CC[NH+](Cc3ccc(C)c([N+](=O)[O-])c3)CC2)no1 ZINC000932241066 1329799370 /nfs/dbraw/zinc/79/93/70/1329799370.db2.gz FCTWRSMYWCROOW-UHFFFAOYSA-N 1 0 330.388 3.049 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000932273010 1329802575 /nfs/dbraw/zinc/80/25/75/1329802575.db2.gz OTRSTJPDOXNTAW-AWEZNQCLSA-N 1 0 349.456 3.017 20 5 EGBDRO C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000932275444 1329802714 /nfs/dbraw/zinc/80/27/14/1329802714.db2.gz GLDSVTQFNBZKTL-YJBOKZPZSA-N 1 0 341.411 3.025 20 5 EGBDRO C[C@H]([NH2+][C@H](c1ccccn1)C1CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000932376178 1329809606 /nfs/dbraw/zinc/80/96/06/1329809606.db2.gz ISNFWDKEWKXNDM-SJCJKPOMSA-N 1 0 340.383 3.058 20 5 EGBDRO Cc1ncc2c(n1)CCC[C@@H]2[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866267673 1330087689 /nfs/dbraw/zinc/08/76/89/1330087689.db2.gz GWUCDSAOIMJDEW-BZNIZROVSA-N 1 0 344.390 3.431 20 5 EGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@](C)(O)c1ccccc1 ZINC000866266515 1330087692 /nfs/dbraw/zinc/08/76/92/1330087692.db2.gz ISCAAYLVFWVGST-ACJLOTCBSA-N 1 0 332.375 3.162 20 5 EGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H](CCO)c1ccccc1 ZINC000866271733 1330088428 /nfs/dbraw/zinc/08/84/28/1330088428.db2.gz PAZSADSDKHEVSE-YOEHRIQHSA-N 1 0 346.402 3.421 20 5 EGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H](C)C[C@@H](O)c1ccco1 ZINC000866287837 1330091120 /nfs/dbraw/zinc/09/11/20/1330091120.db2.gz SEIPDEGZAHFNGH-BFQNTYOBSA-N 1 0 336.363 3.360 20 5 EGBDRO CSC1(C[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CCOCC1 ZINC000866303593 1330093404 /nfs/dbraw/zinc/09/34/04/1330093404.db2.gz NZOQZCKPCHZKHQ-LBPRGKRZSA-N 1 0 342.436 3.167 20 5 EGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCc1ccc2c[nH]nc2c1 ZINC000866352628 1330100824 /nfs/dbraw/zinc/10/08/24/1330100824.db2.gz AXWJOELCEYUQNB-LBPRGKRZSA-N 1 0 342.374 3.374 20 5 EGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1ccc2cnn(C)c2c1 ZINC000866365674 1330102771 /nfs/dbraw/zinc/10/27/71/1330102771.db2.gz VEYNOCZUWMPZIH-LBPRGKRZSA-N 1 0 342.374 3.341 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H](C)CC1(C)OCCO1 ZINC000866427021 1330110610 /nfs/dbraw/zinc/11/06/10/1330110610.db2.gz GWOPISHZQNTVCN-CHWSQXEVSA-N 1 0 338.404 3.043 20 5 EGBDRO CCCC(=O)N1CCC(C[N@H+](C)Cc2csc([N+](=O)[O-])c2)CC1 ZINC001029925538 1341122192 /nfs/dbraw/zinc/12/21/92/1341122192.db2.gz BBNXDBUVWRZJKW-UHFFFAOYSA-N 1 0 339.461 3.127 20 5 EGBDRO Cc1cc(Br)cc([N+](=O)[O-])c1O[C@H]1C[NH2+]CCC[C@H]1F ZINC001217977407 1373523341 /nfs/dbraw/zinc/52/33/41/1373523341.db2.gz ATGJXJCTJSAJSF-PWSUYJOCSA-N 1 0 347.184 3.135 20 5 EGBDRO O=[N+]([O-])c1cn(C[N@@H+]2CC[C@@H]3CCCC[C@H]3C2)nc1-c1ccncc1 ZINC001323182546 1387308402 /nfs/dbraw/zinc/30/84/02/1387308402.db2.gz JKKBMHPRJFFKPS-HOCLYGCPSA-N 1 0 341.415 3.323 20 5 EGBDRO CC1(C)CC(C(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC001086357581 1359076029 /nfs/dbraw/zinc/07/60/29/1359076029.db2.gz QQDCBPCZYJOGFT-KOMQPUFPSA-N 1 0 345.443 3.015 20 5 EGBDRO CC[NH+](CC)CC[C@@H](C)NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC001348360004 1391209808 /nfs/dbraw/zinc/20/98/08/1391209808.db2.gz AZWZQUVFLXIXJC-LLVKDONJSA-N 1 0 327.812 3.098 20 5 EGBDRO CC[NH+](CC)Cc1ccc(-c2nnc(-c3cc([N+](=O)[O-])cn3C)o2)o1 ZINC001324242721 1387566519 /nfs/dbraw/zinc/56/65/19/1387566519.db2.gz ZQTZXWNZVLUUAE-UHFFFAOYSA-N 1 0 345.359 3.085 20 5 EGBDRO Cc1cccc(NC[C@@H]2CCC[N@@H+]2Cc2ccccc2[N+](=O)[O-])n1 ZINC001324297112 1387586451 /nfs/dbraw/zinc/58/64/51/1387586451.db2.gz HFJSZBBUWQXKCM-INIZCTEOSA-N 1 0 326.400 3.375 20 5 EGBDRO Cc1n[nH]c(=O)c(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)c1C ZINC001324873216 1387799256 /nfs/dbraw/zinc/79/92/56/1387799256.db2.gz BTOGNLFXCSMHIQ-MRXNPFEDSA-N 1 0 342.399 3.219 20 5 EGBDRO CC[C@@H]([NH2+]CCC(=O)N1CCC[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC001324944133 1387839701 /nfs/dbraw/zinc/83/97/01/1387839701.db2.gz CRHFJQIFUKODAW-RHSMWYFYSA-N 1 0 333.432 3.284 20 5 EGBDRO O=C(CCCC1CC1)N1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001202084756 1369684070 /nfs/dbraw/zinc/68/40/70/1369684070.db2.gz JHOYXQCAYACHOB-UHFFFAOYSA-N 1 0 345.443 3.256 20 5 EGBDRO NC(=O)[C@H]1C[N@H+](Cc2ccc3ccc4cccc5ccc2c3c45)CCO1 ZINC001204003884 1370344562 /nfs/dbraw/zinc/34/45/62/1370344562.db2.gz KANSWVCEJZCHNM-LJQANCHMSA-N 1 0 344.414 3.270 20 5 EGBDRO O=C(NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCCCC1)C1CCC1 ZINC001115375939 1370415235 /nfs/dbraw/zinc/41/52/35/1370415235.db2.gz BSBDRKPNRIQHNS-UHFFFAOYSA-N 1 0 345.443 3.304 20 5 EGBDRO CC(C)C(=O)NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCCCC1 ZINC001115411975 1370440471 /nfs/dbraw/zinc/44/04/71/1370440471.db2.gz GQIWTTMLTRZPRC-UHFFFAOYSA-N 1 0 333.432 3.160 20 5 EGBDRO C[NH+]1CCN(c2ccc(F)cc2Nc2cccc([N+](=O)[O-])c2)CC1 ZINC001204455496 1370481065 /nfs/dbraw/zinc/48/10/65/1370481065.db2.gz DKKBPLIKKFXSOB-UHFFFAOYSA-N 1 0 330.363 3.229 20 5 EGBDRO CC1(C(=O)NCC2([NH2+]Cc3ccccc3[N+](=O)[O-])CCCCC2)CC1 ZINC001115548832 1370545633 /nfs/dbraw/zinc/54/56/33/1370545633.db2.gz VOBIFYFEVOWUSY-UHFFFAOYSA-N 1 0 345.443 3.304 20 5 EGBDRO CC(C)NC(=O)c1ccc(N[C@@H]2CCCC[C@@H]2[NH+](C)C)c([N+](=O)[O-])c1 ZINC001116028835 1370823818 /nfs/dbraw/zinc/82/38/18/1370823818.db2.gz VMPRELFPHFKHMF-ZBFHGGJFSA-N 1 0 348.447 3.018 20 5 EGBDRO [NH3+]C[C@@]1(F)CCCCN(Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001206363656 1371034104 /nfs/dbraw/zinc/03/41/04/1371034104.db2.gz ZBHWRSZGQUAOPZ-FQEVSTJZSA-N 1 0 338.430 3.436 20 5 EGBDRO COC(=O)CC(C)(C)[N@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001326248114 1388134318 /nfs/dbraw/zinc/13/43/18/1388134318.db2.gz MQAMRZUIOPOWMQ-UHFFFAOYSA-N 1 0 348.321 3.387 20 5 EGBDRO C[NH+]1CCN(c2cccc(Nc3ccc(F)c([N+](=O)[O-])c3)c2)CC1 ZINC001211192678 1372497832 /nfs/dbraw/zinc/49/78/32/1372497832.db2.gz HSSGWFIXPGICCA-UHFFFAOYSA-N 1 0 330.363 3.229 20 5 EGBDRO O=[N+]([O-])c1cc(F)cc(Br)c1O[C@H]1CCCC[NH2+]C1 ZINC001217973254 1373522536 /nfs/dbraw/zinc/52/25/36/1373522536.db2.gz HTPVBIPNCFILKW-VIFPVBQESA-N 1 0 333.157 3.017 20 5 EGBDRO C[C@@H](Oc1c(F)cc(Br)cc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC001218005669 1373533728 /nfs/dbraw/zinc/53/37/28/1373533728.db2.gz LQSPUDMYVJRDCM-MRVPVSSYSA-N 1 0 347.184 3.263 20 5 EGBDRO O=[N+]([O-])c1ccc(/C=C/c2ccc(O[C@H]3C[NH2+]C[C@@H]3F)cc2)cc1 ZINC001218019851 1373538935 /nfs/dbraw/zinc/53/89/35/1373538935.db2.gz MJVMZNUPWKDLCL-QLJMBOKNSA-N 1 0 328.343 3.454 20 5 EGBDRO C[C@@H]1CC[NH2+]CC[C@@H]1Oc1cc([N+](=O)[O-])ccc1Br ZINC001218026750 1373541915 /nfs/dbraw/zinc/54/19/15/1373541915.db2.gz JUCDAFKUBOVYKH-SKDRFNHKSA-N 1 0 329.194 3.124 20 5 EGBDRO C[C@H]1CC[NH2+]CC[C@@H]1Oc1cc(Br)cc([N+](=O)[O-])c1 ZINC001218029054 1373542491 /nfs/dbraw/zinc/54/24/91/1373542491.db2.gz JJTGFEIPBWCSHH-ZANVPECISA-N 1 0 329.194 3.124 20 5 EGBDRO C[C@@H]1CC[NH2+]CC[C@H]1Oc1c(Br)cc(F)cc1[N+](=O)[O-] ZINC001218031908 1373543246 /nfs/dbraw/zinc/54/32/46/1373543246.db2.gz VAGXOXJBZUEKHV-PRHODGIISA-N 1 0 347.184 3.263 20 5 EGBDRO Cc1cc(Br)cc([N+](=O)[O-])c1O[C@@H]1CC[NH2+]CC[C@@H]1C ZINC001218031665 1373543597 /nfs/dbraw/zinc/54/35/97/1373543597.db2.gz RENNSAVZFCVGDS-TVQRCGJNSA-N 1 0 343.221 3.433 20 5 EGBDRO C[C@@H]1CC[NH2+]CC[C@@H]1Oc1cc(N2CCCCC2)ccc1[N+](=O)[O-] ZINC001218032427 1373544241 /nfs/dbraw/zinc/54/42/41/1373544241.db2.gz ZPJMZWZQLOFFJT-PBHICJAKSA-N 1 0 333.432 3.352 20 5 EGBDRO C[C@H]1C[C@@H](Oc2cc(C(=O)OC(C)(C)C)ccc2[N+](=O)[O-])CC[NH2+]1 ZINC001218053759 1373548799 /nfs/dbraw/zinc/54/87/99/1373548799.db2.gz UFNPJGHLMRXPSQ-AAEUAGOBSA-N 1 0 336.388 3.069 20 5 EGBDRO O=[N+]([O-])c1cc(-c2ccccc2)ccc1O[C@H]1CSC2(C[NH2+]C2)C1 ZINC001218098833 1373560148 /nfs/dbraw/zinc/56/01/48/1373560148.db2.gz SATGADJQJIYUSQ-OAHLLOKOSA-N 1 0 342.420 3.488 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)c(Cl)cc1O[C@H]1CSC2(C[NH2+]C2)C1 ZINC001218099955 1373560843 /nfs/dbraw/zinc/56/08/43/1373560843.db2.gz XIYAFTJQGFNKFS-SSDOTTSWSA-N 1 0 335.212 3.128 20 5 EGBDRO O=[N+]([O-])c1cc(Br)c(F)cc1O[C@@H]1CC[C@@]12CC[NH2+]C2 ZINC001218115933 1373563857 /nfs/dbraw/zinc/56/38/57/1373563857.db2.gz PDRUUSGTMFBORQ-OLZOCXBDSA-N 1 0 345.168 3.017 20 5 EGBDRO C[NH2+][C@H]1CC[C@H](Oc2cc(F)c(Br)cc2[N+](=O)[O-])CC1 ZINC001218187679 1373574705 /nfs/dbraw/zinc/57/47/05/1373574705.db2.gz LILPBTIOOBPYTQ-KYZUINATSA-N 1 0 347.184 3.406 20 5 EGBDRO Cc1cc(Br)c(O[C@@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC001218186657 1373574858 /nfs/dbraw/zinc/57/48/58/1373574858.db2.gz UUWWFWDCKLCNEN-JGPRNRPPSA-N 1 0 341.205 3.328 20 5 EGBDRO C[NH2+][C@H]1CC[C@H](Oc2c(F)cc([N+](=O)[O-])cc2Br)CC1 ZINC001218189515 1373574885 /nfs/dbraw/zinc/57/48/85/1373574885.db2.gz YJFVVVXVUGTTAB-CZMCAQCFSA-N 1 0 347.184 3.406 20 5 EGBDRO CCC(=O)[C@H]1C[C@@H](Oc2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)C[NH2+]1 ZINC001218323659 1373596474 /nfs/dbraw/zinc/59/64/74/1373596474.db2.gz OTLXBEKWRIFGFP-QZTJIDSGSA-N 1 0 340.379 3.350 20 5 EGBDRO Cc1c(Cl)cc([N+](=O)[O-])c(O[C@H]2C=CC[NH2+]C2)c1Br ZINC001218334131 1373599147 /nfs/dbraw/zinc/59/91/47/1373599147.db2.gz MAVUGFXFNLGLEE-QMMMGPOBSA-N 1 0 347.596 3.226 20 5 EGBDRO C[C@@H]1C[NH2+]CC[C@@H]1Oc1c([N+](=O)[O-])cc(C(C)(C)C)cc1[N+](=O)[O-] ZINC001218424184 1373610579 /nfs/dbraw/zinc/61/05/79/1373610579.db2.gz MTAFRJDLJCBECC-YGRLFVJLSA-N 1 0 337.376 3.177 20 5 EGBDRO C[C@@H]1C[NH2+]CC[C@@H]1Oc1c(Br)cc(Cl)cc1[N+](=O)[O-] ZINC001218426394 1373610711 /nfs/dbraw/zinc/61/07/11/1373610711.db2.gz WSWVOSVSKMLJFS-HQJQHLMTSA-N 1 0 349.612 3.388 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)c(O[C@@H]2C[NH2+]CCC2(F)F)c(Cl)c1 ZINC001218446246 1373613695 /nfs/dbraw/zinc/61/36/95/1373613695.db2.gz CCYWMFWCYNXULJ-SECBINFHSA-N 1 0 327.114 3.278 20 5 EGBDRO CC1(C)C[C@@H](Oc2ccc([N+](=O)[O-])c(Br)c2)CC[NH2+]1 ZINC001218472129 1373620443 /nfs/dbraw/zinc/62/04/43/1373620443.db2.gz NLMUKKWBFMDRHY-JTQLQIEISA-N 1 0 329.194 3.267 20 5 EGBDRO CC1(C)C[C@H](Oc2cccc(Br)c2[N+](=O)[O-])CC[NH2+]1 ZINC001218476874 1373622071 /nfs/dbraw/zinc/62/20/71/1373622071.db2.gz LUYJSEJQGFHURO-SECBINFHSA-N 1 0 329.194 3.267 20 5 EGBDRO CC[C@H](C)[C@@H]([NH3+])CC(=O)Nc1cc2nc3ccccc3nc2cc1N ZINC001218856179 1373661327 /nfs/dbraw/zinc/66/13/27/1373661327.db2.gz AJPWUGBZSKFENN-RYUDHWBXSA-N 1 0 337.427 3.067 20 5 EGBDRO COCCCNC(=O)[C@@H]([NH3+])Cc1c2ccccc2cc2ccccc21 ZINC001219555551 1373716195 /nfs/dbraw/zinc/71/61/95/1373716195.db2.gz FVAMBLKFSUXLEO-FQEVSTJZSA-N 1 0 336.435 3.016 20 5 EGBDRO O=[N+]([O-])c1cccnc1O[C@H]1CCN(Cc2ccccc2Cl)C1 ZINC001225595392 1375129884 /nfs/dbraw/zinc/12/98/84/1375129884.db2.gz JDLGLTBTEZYXFD-ZDUSSCGKSA-N 1 0 333.775 3.297 20 5 EGBDRO CC(C)[N@@H+]1CCC[C@H](Oc2ncc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001225847731 1375164152 /nfs/dbraw/zinc/16/41/52/1375164152.db2.gz SSQUMYMOHGGLOP-NSHDSACASA-N 1 0 333.310 3.260 20 5 EGBDRO C[NH+](C)C1CCC(Oc2ncc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC001225892631 1375169646 /nfs/dbraw/zinc/16/96/46/1375169646.db2.gz FQCHQXGIUVZHFE-UHFFFAOYSA-N 1 0 333.310 3.260 20 5 EGBDRO CCOC(=O)c1ccc(O[C@@H](C)C[N+](C)(C)C)c(Br)c1 ZINC001226083324 1375200555 /nfs/dbraw/zinc/20/05/55/1375200555.db2.gz XUKROHSPYWXZFT-NSHDSACASA-N 1 0 345.257 3.099 20 5 EGBDRO CCC(CC)C(=O)NC1CCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC001226169415 1375213688 /nfs/dbraw/zinc/21/36/88/1375213688.db2.gz HAWJOJBAXFPFGY-UHFFFAOYSA-N 1 0 339.461 3.173 20 5 EGBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Oc1ccc([N+](=O)[O-])nc1 ZINC001226712532 1375315115 /nfs/dbraw/zinc/31/51/15/1375315115.db2.gz OMROIDDQUIELBY-PBHICJAKSA-N 1 0 327.384 3.279 20 5 EGBDRO C[C@@H](Oc1cccc([N+](=O)[O-])c1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC001226763308 1375327699 /nfs/dbraw/zinc/32/76/99/1375327699.db2.gz PPVWRZVOVHZZMC-DNVCBOLYSA-N 1 0 342.395 3.263 20 5 EGBDRO C[C@@H](C[N+](C)(C)C)Oc1ncc(Br)cc1C(F)(F)F ZINC001226815927 1375342245 /nfs/dbraw/zinc/34/22/45/1375342245.db2.gz CKTFJIAZNLBUIQ-QMMMGPOBSA-N 1 0 342.179 3.336 20 5 EGBDRO COCCC[NH+]1CCC(Oc2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC001226906183 1375355010 /nfs/dbraw/zinc/35/50/10/1375355010.db2.gz DGEISNFWBJYFDA-UHFFFAOYSA-N 1 0 346.786 3.267 20 5 EGBDRO CCOC(=O)c1ccc(OC2CCC([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC001227297642 1375417536 /nfs/dbraw/zinc/41/75/36/1375417536.db2.gz WAXZIECEUHCPIT-UHFFFAOYSA-N 1 0 336.388 3.023 20 5 EGBDRO CC[N@@H+]1CCC[C@H](Oc2ncnc3cc(Cl)c([N+](=O)[O-])cc32)C1 ZINC001227364180 1375422904 /nfs/dbraw/zinc/42/29/04/1375422904.db2.gz MYPPYHJAYUKDQY-JTQLQIEISA-N 1 0 336.779 3.055 20 5 EGBDRO CC(C)[N@@H+]1CC[C@H](Oc2cc([N+](=O)[O-])c(Br)cc2F)C1 ZINC001228942877 1375722682 /nfs/dbraw/zinc/72/26/82/1375722682.db2.gz WXYYRWOALOULEN-VIFPVBQESA-N 1 0 347.184 3.358 20 5 EGBDRO O=[N+]([O-])c1cc(Br)cc(OC2CCN(CCF)CC2)c1 ZINC001229146521 1375774261 /nfs/dbraw/zinc/77/42/61/1375774261.db2.gz SCFIXJVOGHYLHI-UHFFFAOYSA-N 1 0 347.184 3.170 20 5 EGBDRO Cc1cc(=O)oc2c1ccc(OC1CC[NH+](C3CC3)CC1)c2[N+](=O)[O-] ZINC001229943331 1375922194 /nfs/dbraw/zinc/92/21/94/1375922194.db2.gz MUHHFLOEBWGCJB-UHFFFAOYSA-N 1 0 344.367 3.015 20 5 EGBDRO C[N@@H+](Cc1c2ccccc2c(Cl)c2ccccc21)C[C@@H](O)CO ZINC001231826369 1376322871 /nfs/dbraw/zinc/32/28/71/1376322871.db2.gz GNRJVRWSPSFAAW-CYBMUJFWSA-N 1 0 329.827 3.431 20 5 EGBDRO O=C(CC1CCCCCC1)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001134410162 1376515260 /nfs/dbraw/zinc/51/52/60/1376515260.db2.gz GHYBJUCTTWKWRX-UHFFFAOYSA-N 1 0 339.461 3.223 20 5 EGBDRO CC[C@H]1CC[C@H](C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001148505017 1379195963 /nfs/dbraw/zinc/19/59/63/1379195963.db2.gz SWOOWLJHGLDTHJ-SHTZXODSSA-N 1 0 333.432 3.017 20 5 EGBDRO CC(C)(C)[NH+]1CCN(C(=O)c2cccc3nc4ccccc4nc32)CC1 ZINC001153865398 1380146515 /nfs/dbraw/zinc/14/65/15/1380146515.db2.gz CJLQPHHKZPLCGC-UHFFFAOYSA-N 1 0 348.450 3.339 20 5 EGBDRO Cc1ccc(-c2ccc(N[C@@H]3CCC[C@@H]([NH3+])C3)nn2)cc1[N+](=O)[O-] ZINC001154987775 1380385872 /nfs/dbraw/zinc/38/58/72/1380385872.db2.gz NUDUJRDGKUVXHA-ZIAGYGMSSA-N 1 0 327.388 3.042 20 5 EGBDRO C[C@@H]1C[NH2+]CCC[C@H]1CNc1ccc(-c2ccccc2[N+](=O)[O-])nn1 ZINC001155035041 1380395635 /nfs/dbraw/zinc/39/56/35/1380395635.db2.gz ZYMSVUJANHNNEV-KGLIPLIRSA-N 1 0 341.415 3.099 20 5 EGBDRO CC(C)Oc1nc(-n2c3ccccc3nc2[C@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC001155258837 1380429858 /nfs/dbraw/zinc/42/98/58/1380429858.db2.gz SKVWMSBFJCLDJS-NSHDSACASA-N 1 0 341.371 3.136 20 5 EGBDRO C[NH+](C)CC(C)(C)CNC(=O)c1ccnc2c1ccc1cccnc12 ZINC001155818394 1380494939 /nfs/dbraw/zinc/49/49/39/1380494939.db2.gz PUAFHYRVKDTELV-UHFFFAOYSA-N 1 0 336.439 3.101 20 5 EGBDRO O=[N+]([O-])c1ccc2c(ccnc2N2CC[NH2+]C[C@@H]2c2cccs2)c1 ZINC001156120629 1380527868 /nfs/dbraw/zinc/52/78/68/1380527868.db2.gz LEAZAHJKVUFPBB-OAHLLOKOSA-N 1 0 340.408 3.355 20 5 EGBDRO CC1(C)CC([NH3+])CC(C)(C)N1c1ncnc2ccc([N+](=O)[O-])cc21 ZINC001156770903 1380631380 /nfs/dbraw/zinc/63/13/80/1380631380.db2.gz LHAFYULJNMYWPN-UHFFFAOYSA-N 1 0 329.404 3.023 20 5 EGBDRO CC(C)[N@H+](C)[C@H]1CCN(C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)C1 ZINC001157002469 1380749720 /nfs/dbraw/zinc/74/97/20/1380749720.db2.gz YSUYZFGFKUTURI-NSHDSACASA-N 1 0 348.781 3.107 20 5 EGBDRO CC1(C)C[C@@H](Nc2ccc3[nH]cc([N+](=O)[O-])c3n2)C[C@](C)(C[NH3+])C1 ZINC001158267321 1381178705 /nfs/dbraw/zinc/17/87/05/1381178705.db2.gz WNLWBCWWIHVDPZ-DIFFPNOSSA-N 1 0 331.420 3.427 20 5 EGBDRO C[N@@H+]1CCN(c2ccc3cccc([N+](=O)[O-])c3n2)C2(CCCC2)C1 ZINC001158409269 1381234500 /nfs/dbraw/zinc/23/45/00/1381234500.db2.gz ZILHJIQPKMFZPW-UHFFFAOYSA-N 1 0 326.400 3.208 20 5 EGBDRO C[NH+](C)CCC(C)(C)NC(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1 ZINC001158754197 1381383581 /nfs/dbraw/zinc/38/35/81/1381383581.db2.gz SSHXSDSRECGGSK-UHFFFAOYSA-N 1 0 336.770 3.012 20 5 EGBDRO O=[N+]([O-])c1ccc(F)c(Nc2cccnc2OC2CC[NH2+]CC2)c1 ZINC001159242462 1381741424 /nfs/dbraw/zinc/74/14/24/1381741424.db2.gz DWEFNNJSPYXAHY-UHFFFAOYSA-N 1 0 332.335 3.003 20 5 EGBDRO Cc1cnc(N(CC[NH3+])C23CC4CC(CC(C4)C2)C3)c([N+](=O)[O-])c1 ZINC001159538287 1381820797 /nfs/dbraw/zinc/82/07/97/1381820797.db2.gz MCQFSAUNILMVPC-UHFFFAOYSA-N 1 0 330.432 3.032 20 5 EGBDRO [NH3+][C@H]1CCCN(c2ccccc2Nc2ccc(F)c([N+](=O)[O-])c2)C1 ZINC001159982121 1381958585 /nfs/dbraw/zinc/95/85/85/1381958585.db2.gz JAGJXIIABCJRMM-LBPRGKRZSA-N 1 0 330.363 3.405 20 5 EGBDRO COc1nc(-n2cc(C[C@H](C)[NH3+])c3ccc(C)cc32)ccc1[N+](=O)[O-] ZINC001160011693 1381966702 /nfs/dbraw/zinc/96/67/02/1381966702.db2.gz OWQJRDUXYUPQSY-LBPRGKRZSA-N 1 0 340.383 3.140 20 5 EGBDRO O=[N+]([O-])c1ccc(Nc2c(O)cccc2N2CC[NH2+]CC2)c(Cl)c1 ZINC001160011623 1381966772 /nfs/dbraw/zinc/96/67/72/1381966772.db2.gz HSIKSIYOHZLYCK-UHFFFAOYSA-N 1 0 348.790 3.107 20 5 EGBDRO Nc1cc(F)ccc1N(c1cc([N+](=O)[O-])ccc1F)C1CC[NH2+]CC1 ZINC001160094224 1381994496 /nfs/dbraw/zinc/99/44/96/1381994496.db2.gz VGNJLWGEJLTNKJ-UHFFFAOYSA-N 1 0 348.353 3.345 20 5 EGBDRO Cc1ccc(Nc2cccc(F)c2N2CC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC001160117357 1382002094 /nfs/dbraw/zinc/00/20/94/1382002094.db2.gz WIIMMMJVIKTURM-GFCCVEGCSA-N 1 0 330.363 3.323 20 5 EGBDRO O=[N+]([O-])c1cc(O)cc(Nc2cc(F)ccc2OC2CC[NH2+]CC2)c1 ZINC001160134589 1382010263 /nfs/dbraw/zinc/01/02/63/1382010263.db2.gz NJCRBZXULYDIHD-UHFFFAOYSA-N 1 0 347.346 3.314 20 5 EGBDRO COc1ncc(Nc2ccc(C[C@@H]3CCC[NH2+]C3)cc2)cc1[N+](=O)[O-] ZINC001160264805 1382054767 /nfs/dbraw/zinc/05/47/67/1382054767.db2.gz BJJDVXQXXNBUPD-AWEZNQCLSA-N 1 0 342.399 3.284 20 5 EGBDRO O=[N+]([O-])c1cnc(N[C@H]2CC[NH2+]C[C@H]2C(F)(F)F)c2ccccc21 ZINC001160737792 1382182387 /nfs/dbraw/zinc/18/23/87/1382182387.db2.gz QQDWLXSTWKUVLH-NEPJUHHUSA-N 1 0 340.305 3.095 20 5 EGBDRO CN(Cc1c2ccccc2cc2ccccc21)C(=O)[C@H]1C[NH2+]CCC1=O ZINC001160738615 1382182788 /nfs/dbraw/zinc/18/27/88/1382182788.db2.gz OPDKVAMXPTZMLV-IBGZPJMESA-N 1 0 346.430 3.130 20 5 EGBDRO O=[N+]([O-])c1cc2ccccc2nc1N[C@H]1CC[NH2+]C[C@H]1C(F)(F)F ZINC001160741126 1382183560 /nfs/dbraw/zinc/18/35/60/1382183560.db2.gz QISLDHSACSHEQR-PWSUYJOCSA-N 1 0 340.305 3.095 20 5 EGBDRO O=[N+]([O-])c1ccc2c(ccnc2N[C@H]2CC[NH2+]C[C@@H]2C(F)(F)F)c1 ZINC001160747975 1382185725 /nfs/dbraw/zinc/18/57/25/1382185725.db2.gz OUHYWQXPIPZKLS-STQMWFEESA-N 1 0 340.305 3.095 20 5 EGBDRO Cc1ccc(-c2ccc(NCC[C@H]3CCC[N@H+]3C)nn2)cc1[N+](=O)[O-] ZINC001160971250 1382256738 /nfs/dbraw/zinc/25/67/38/1382256738.db2.gz ZUWCWSNVQDNJHG-OAHLLOKOSA-N 1 0 341.415 3.256 20 5 EGBDRO Cc1nc(Cl)c([N+](=O)[O-])c(NC2CC[NH+](CC(C)(C)C)CC2)n1 ZINC001161207717 1382341559 /nfs/dbraw/zinc/34/15/59/1382341559.db2.gz VVKCINITWXKTMD-UHFFFAOYSA-N 1 0 341.843 3.269 20 5 EGBDRO O=[N+]([O-])c1cc(NCC2CC[NH+](CC3CCC3)CC2)nc2[nH]ccc21 ZINC001161234125 1382351245 /nfs/dbraw/zinc/35/12/45/1382351245.db2.gz NKRCCYQBKGHOEL-UHFFFAOYSA-N 1 0 343.431 3.395 20 5 EGBDRO c1ccc2c(c1)nc(NCc1nnn3c1C[NH2+]CCC3)c1ccccc21 ZINC001162979841 1382936059 /nfs/dbraw/zinc/93/60/59/1382936059.db2.gz TXOVDKLEUWGQOQ-UHFFFAOYSA-N 1 0 344.422 3.085 20 5 EGBDRO COc1cccc([C@@H](C[NH3+])Nc2ncc([N+](=O)[O-])c3ccccc32)c1 ZINC001163306877 1383016968 /nfs/dbraw/zinc/01/69/68/1383016968.db2.gz RVSLBXDAMVUHSV-MRXNPFEDSA-N 1 0 338.367 3.264 20 5 EGBDRO O=[N+]([O-])c1cc(F)cnc1NC1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC001163315898 1383019469 /nfs/dbraw/zinc/01/94/69/1383019469.db2.gz UCOGFKOQQJHDAN-CYBMUJFWSA-N 1 0 334.395 3.362 20 5 EGBDRO COc1cnc(NC2CC[NH+](C[C@@H]3CC=CCC3)CC2)c([N+](=O)[O-])c1 ZINC001163314403 1383019506 /nfs/dbraw/zinc/01/95/06/1383019506.db2.gz FHPZZANLPVPJMB-CQSZACIVSA-N 1 0 346.431 3.231 20 5 EGBDRO Cc1cccc(NCc2cccnc2C2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001163908368 1383134984 /nfs/dbraw/zinc/13/49/84/1383134984.db2.gz HORAKYZWIQZOGJ-UHFFFAOYSA-N 1 0 326.400 3.377 20 5 EGBDRO CC(=O)Nc1ccc(NCc2cccc(C[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC001163999401 1383144844 /nfs/dbraw/zinc/14/48/44/1383144844.db2.gz VFQCFTIDIDDPHU-UHFFFAOYSA-N 1 0 342.399 3.227 20 5 EGBDRO Cc1cc(N2CCC[C@@](C)(C[NH3+])CC2)nc2ccc([N+](=O)[O-])cc12 ZINC001164242819 1383170424 /nfs/dbraw/zinc/17/04/24/1383170424.db2.gz RQAXPGBUUCXZMR-GOSISDBHSA-N 1 0 328.416 3.407 20 5 EGBDRO C[C@]1(C[NH3+])CCCN(c2ccc(-c3ccccc3[N+](=O)[O-])nn2)CC1 ZINC001164247732 1383170996 /nfs/dbraw/zinc/17/09/96/1383170996.db2.gz KTRDLZQLURLVGC-SFHVURJKSA-N 1 0 341.415 3.007 20 5 EGBDRO Cc1cc(N2CC[C@]3(C2)CCC[NH2+]C3)nc2ccc([N+](=O)[O-])cc12 ZINC001165236222 1383255494 /nfs/dbraw/zinc/25/54/94/1383255494.db2.gz HFDNGTDJEYMTKP-GOSISDBHSA-N 1 0 326.400 3.031 20 5 EGBDRO COc1cc([N+](=O)[O-])c(NCCC[N@@H+]2CCCC[C@H]2C)cc1F ZINC001167752865 1383730306 /nfs/dbraw/zinc/73/03/06/1383730306.db2.gz ICXMPFXQUGKPFN-GFCCVEGCSA-N 1 0 325.384 3.419 20 5 EGBDRO O=[N+]([O-])c1cc(NCC[NH+]2CCSCC2)ccc1C(F)(F)F ZINC001167836881 1383754935 /nfs/dbraw/zinc/75/49/35/1383754935.db2.gz ADKOPPJJFUXSRW-UHFFFAOYSA-N 1 0 335.351 3.074 20 5 EGBDRO C[NH+](C)[C@H]1CCCC[C@@H]1Nc1cc([N+](=O)[O-])cc(Br)n1 ZINC001168601595 1383945829 /nfs/dbraw/zinc/94/58/29/1383945829.db2.gz PVWLEFCVEPJQIZ-QWRGUYRKSA-N 1 0 343.225 3.037 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](O)c2ccccc2C(F)(F)F)cc1 ZINC001335662306 1388895986 /nfs/dbraw/zinc/89/59/86/1388895986.db2.gz OFRJADDHIWZWNW-OAHLLOKOSA-N 1 0 340.301 3.437 20 5 EGBDRO CC(C)(C)OC(=O)NCCCCCC[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168960771 1384072043 /nfs/dbraw/zinc/07/20/43/1384072043.db2.gz GZCABNGWLCNLOY-HUUCEWRRSA-N 1 0 343.468 3.107 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C[C@@H](O)c2c(Cl)cccc2Cl)C1 ZINC001168980411 1384077695 /nfs/dbraw/zinc/07/76/95/1384077695.db2.gz DJJMWIBSJDRZDV-GBIKHYSHSA-N 1 0 333.215 3.062 20 5 EGBDRO [NH2+]=C(Cc1cccc(C(F)(F)F)c1)N[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168984934 1384079230 /nfs/dbraw/zinc/07/92/30/1384079230.db2.gz BKVGGDUJYHCQJL-DGCLKSJQSA-N 1 0 329.322 3.260 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+][C@@H]2CCc3cc(Br)ccc32)C1 ZINC001168985223 1384079295 /nfs/dbraw/zinc/07/92/95/1384079295.db2.gz RTFJXVJVXQWFMS-PSOPSSQASA-N 1 0 339.233 3.471 20 5 EGBDRO N[C@@H](c1ccccc1)[C@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccccc1 ZINC001168985032 1384079684 /nfs/dbraw/zinc/07/96/84/1384079684.db2.gz CEUGXWKMYRNYNX-XFWGSAIBSA-N 1 0 339.439 3.463 20 5 EGBDRO Cc1cc(Br)cc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001168986853 1384080333 /nfs/dbraw/zinc/08/03/33/1384080333.db2.gz FMZZASNYCUDRAG-SMDDNHRTSA-N 1 0 327.222 3.293 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]C2(c3ccc(Cl)cc3)CCOCC2)C1 ZINC001168998262 1384083004 /nfs/dbraw/zinc/08/30/04/1384083004.db2.gz KOICPZVCCQOVIO-XJKSGUPXSA-N 1 0 338.835 3.381 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H](CO)c2ccc(Cl)c(Cl)c2)C1 ZINC001169000747 1384083829 /nfs/dbraw/zinc/08/38/29/1384083829.db2.gz BGCJFUJVLWFZPC-UDZFHETQSA-N 1 0 333.215 3.062 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2c(F)cccc2Br)C1 ZINC001169000988 1384083839 /nfs/dbraw/zinc/08/38/39/1384083839.db2.gz CCPWTEMQQLRHIC-NXEZZACHSA-N 1 0 331.185 3.123 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H](n2c3ccccc3nc2C2CC[NH2+]CC2)C1 ZINC001169006888 1384086392 /nfs/dbraw/zinc/08/63/92/1384086392.db2.gz KAGTUMMMUXGUOD-UKRRQHHQSA-N 1 0 328.416 3.121 20 5 EGBDRO C[N@H+](Cc1ccccc1Br)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169009095 1384087423 /nfs/dbraw/zinc/08/74/23/1384087423.db2.gz VLJVPYVPUCXBSR-DGCLKSJQSA-N 1 0 327.222 3.326 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCC(OCc3ccccc3F)CC2)C1 ZINC001169028516 1384093312 /nfs/dbraw/zinc/09/33/12/1384093312.db2.gz SUDBETSXJHKJSR-GOEBONIOSA-N 1 0 336.407 3.252 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCC(OCc3ccc(F)cc3)CC2)C1 ZINC001169030082 1384094824 /nfs/dbraw/zinc/09/48/24/1384094824.db2.gz VZDOKJURNONAOH-NVXWUHKLSA-N 1 0 336.407 3.252 20 5 EGBDRO C[C@]1(c2ccc(Cl)cc2)C[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCO1 ZINC001169039547 1384098529 /nfs/dbraw/zinc/09/85/29/1384098529.db2.gz RCQCOMMLYNWZTL-IAOVAPTHSA-N 1 0 338.835 3.333 20 5 EGBDRO CN(Cc1cccc(F)c1)C1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169046377 1384100244 /nfs/dbraw/zinc/10/02/44/1384100244.db2.gz LNHRGAQQGKTICD-VQIMIIECSA-N 1 0 349.450 3.167 20 5 EGBDRO C[N@H+](Cc1cccc(OC(F)(F)F)c1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169053203 1384100914 /nfs/dbraw/zinc/10/09/14/1384100914.db2.gz IEIFUULFSQMAKO-OLZOCXBDSA-N 1 0 332.322 3.462 20 5 EGBDRO CCOc1cnc(N[C@@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)c([N+](=O)[O-])c1 ZINC001169139211 1384112594 /nfs/dbraw/zinc/11/25/94/1384112594.db2.gz AQVZJIHBERDTEB-SJKOYZFVSA-N 1 0 336.436 3.344 20 5 EGBDRO CC1(C)C[C@H](Nc2ccc3ncc([N+](=O)[O-])n3c2)C[C@](C)(C[NH3+])C1 ZINC001169141191 1384113177 /nfs/dbraw/zinc/11/31/77/1384113177.db2.gz AXJQLYQTBSPDLE-GUYCJALGSA-N 1 0 331.420 3.198 20 5 EGBDRO COC(=O)[C@H](CC1CCCCC1)Nc1cc2c(cc1[N+](=O)[O-])C[NH2+]C2 ZINC001169164321 1384118128 /nfs/dbraw/zinc/11/81/28/1384118128.db2.gz HWRFUKXUBMLHGC-INIZCTEOSA-N 1 0 347.415 3.122 20 5 EGBDRO Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1ncnc2[nH]cc([N+](=O)[O-])c21 ZINC001169683891 1384173635 /nfs/dbraw/zinc/17/36/35/1384173635.db2.gz FDDQMGFZDMCWNI-LBPRGKRZSA-N 1 0 338.371 3.106 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+]C[C@@H](O)C2CCCCC2)c([N+](=O)[O-])c1 ZINC001170313519 1384288519 /nfs/dbraw/zinc/28/85/19/1384288519.db2.gz NRYXVOSKUDKZAZ-SCLBCKFNSA-N 1 0 336.432 3.065 20 5 EGBDRO CC[N@H+](Cc1ccncc1)[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170330090 1384293027 /nfs/dbraw/zinc/29/30/27/1384293027.db2.gz YKKJFDXQVRWQPR-AWEZNQCLSA-N 1 0 329.400 3.452 20 5 EGBDRO COc1ccc(C[C@H](C)[N@@H+]2CC(C)(C)C[C@@]2(C)CO)c([N+](=O)[O-])c1 ZINC001170335465 1384294405 /nfs/dbraw/zinc/29/44/05/1384294405.db2.gz OAHXJLYXUHYPRO-UGSOOPFHSA-N 1 0 336.432 3.017 20 5 EGBDRO CC1(C)C[N@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)[C@@](C)(CO)C1 ZINC001172905398 1384875412 /nfs/dbraw/zinc/87/54/12/1384875412.db2.gz RRYVNFUGKPKQIS-VQIMIIECSA-N 1 0 332.444 3.325 20 5 EGBDRO COc1cccc(C[NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)n1 ZINC001172904561 1384875470 /nfs/dbraw/zinc/87/54/70/1384875470.db2.gz YFPXHVICHAKXGS-OAHLLOKOSA-N 1 0 327.384 3.036 20 5 EGBDRO O=C(C[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1cccc(F)c1 ZINC001172907692 1384875472 /nfs/dbraw/zinc/87/54/72/1384875472.db2.gz UUXAAFADYINONT-KRWDZBQOSA-N 1 0 342.370 3.454 20 5 EGBDRO C[C@@H]1CC[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC[C@@]1(C)O ZINC001172904935 1384875598 /nfs/dbraw/zinc/87/55/98/1384875598.db2.gz BIYJEZNJQOVNCJ-LSBZLQRGSA-N 1 0 332.444 3.325 20 5 EGBDRO COc1cc(CC[NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)ccn1 ZINC001172908874 1384876192 /nfs/dbraw/zinc/87/61/92/1384876192.db2.gz AXVWDIIXKXXGCA-QGZVFWFLSA-N 1 0 341.411 3.078 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@H+](CCO)Cc1ccccc1)CC2 ZINC001172910408 1384876216 /nfs/dbraw/zinc/87/62/16/1384876216.db2.gz ZEFOHADZUDZXKI-IBGZPJMESA-N 1 0 340.423 3.337 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1CCC[C@@H]1c1ncccn1)CC2 ZINC001172913074 1384876883 /nfs/dbraw/zinc/87/68/83/1384876883.db2.gz OQRBNYCGWRKPIY-FUHWJXTLSA-N 1 0 338.411 3.469 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH+]1CC3(C1)C[C@H](F)CS3)CC2 ZINC001172919572 1384879171 /nfs/dbraw/zinc/87/91/71/1384879171.db2.gz GPQXUEFWXPCDCO-GJZGRUSLSA-N 1 0 336.432 3.372 20 5 EGBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH+]3CC4(CCC4)C3)CC2)c(F)c1 ZINC001173010703 1384897936 /nfs/dbraw/zinc/89/79/36/1384897936.db2.gz XXUHUVUFAYRRTG-UHFFFAOYSA-N 1 0 337.370 3.328 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]Cc2csc(C)n2)c1F ZINC001173175871 1384931876 /nfs/dbraw/zinc/93/18/76/1384931876.db2.gz UIWYLEBVKKLTGH-VIFPVBQESA-N 1 0 339.392 3.228 20 5 EGBDRO CCC1([NH2+][C@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])CCOCC1 ZINC001173177338 1384931981 /nfs/dbraw/zinc/93/19/81/1384931981.db2.gz AYVPIVFTPMUWMW-GFCCVEGCSA-N 1 0 340.395 3.222 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C2CCSCC2)c1F ZINC001173179894 1384932425 /nfs/dbraw/zinc/93/24/25/1384932425.db2.gz RQBJUQRAQHGMQO-SNVBAGLBSA-N 1 0 328.409 3.159 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CC[C@](C)(CF)C2)c1F ZINC001173182778 1384932437 /nfs/dbraw/zinc/93/24/37/1384932437.db2.gz TZDPNKCUZIWYPB-MEDUHNTESA-N 1 0 328.359 3.355 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+](C)C[C@@H]2CCCCO2)c1F ZINC001173190485 1384932926 /nfs/dbraw/zinc/93/29/26/1384932926.db2.gz TVXBNUFEDFORQJ-OLZOCXBDSA-N 1 0 340.395 3.174 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@@H]2COc3ccccc32)c1F ZINC001173189016 1384932958 /nfs/dbraw/zinc/93/29/58/1384932958.db2.gz MXIGZYQGCFMXNC-SMDDNHRTSA-N 1 0 346.358 3.397 20 5 EGBDRO CC[N@H+]([C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-])C1CCOCC1 ZINC001173189172 1384933587 /nfs/dbraw/zinc/93/35/87/1384933587.db2.gz IYHBAFHLDJWVBC-GFCCVEGCSA-N 1 0 340.395 3.174 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCCNC(=O)OC(C)(C)C ZINC001173209307 1384936128 /nfs/dbraw/zinc/93/61/28/1384936128.db2.gz BIYLXUHDSINCHJ-CYBMUJFWSA-N 1 0 337.420 3.030 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1C[C@H](NC(=O)OC(C)(C)C)C1 ZINC001173213632 1384937257 /nfs/dbraw/zinc/93/72/57/1384937257.db2.gz JJJLZBSKMZUSED-BPLDGKMQSA-N 1 0 349.431 3.171 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CCN1Cc1ccccc1 ZINC001173217799 1384937508 /nfs/dbraw/zinc/93/75/08/1384937508.db2.gz GFGMLXUDCKSIGD-OXQOHEQNSA-N 1 0 339.439 3.390 20 5 EGBDRO CCOC(=O)[C@H]1CCCC[C@H]1[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173218508 1384937649 /nfs/dbraw/zinc/93/76/49/1384937649.db2.gz BOTNBNDRTORFCK-RRQGHBQHSA-N 1 0 334.416 3.237 20 5 EGBDRO COc1ccc(OC)c(C[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001173217611 1384937735 /nfs/dbraw/zinc/93/77/35/1384937735.db2.gz XIXJYPAUKWQMDN-ZDUSSCGKSA-N 1 0 330.384 3.333 20 5 EGBDRO CC(C)c1nc(CC[N@H+](C)[C@H](C)Cc2ccc([N+](=O)[O-])cc2)no1 ZINC001173221499 1384938317 /nfs/dbraw/zinc/93/83/17/1384938317.db2.gz IZZJNDKFABDUGK-CYBMUJFWSA-N 1 0 332.404 3.207 20 5 EGBDRO COC[C@]12CCCO[C@H]1CC[N@@H+]([C@H](C)Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001173224858 1384938979 /nfs/dbraw/zinc/93/89/79/1384938979.db2.gz LYOBFEBWKFBNEU-AYOQOUSVSA-N 1 0 348.443 3.043 20 5 EGBDRO CCC(CC)C(=O)N1CC[C@@H]([NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173222836 1384939182 /nfs/dbraw/zinc/93/91/82/1384939182.db2.gz ZKLXAOSYCLGNCS-WMLDXEAASA-N 1 0 347.459 3.153 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@](O)(C(F)(F)F)[C@H](C)C1 ZINC001173223048 1384939219 /nfs/dbraw/zinc/93/92/19/1384939219.db2.gz WWHODNKFHFHYGS-LALPHHSUSA-N 1 0 346.349 3.161 20 5 EGBDRO CC(=O)N1CCCC[C@]12CC[N@@H+]([C@H](C)Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001173228096 1384939462 /nfs/dbraw/zinc/93/94/62/1384939462.db2.gz TYCSGHTWZYKIJC-DNVCBOLYSA-N 1 0 345.443 3.003 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cncnc1C(C)(F)F ZINC001173229817 1384940600 /nfs/dbraw/zinc/94/06/00/1384940600.db2.gz VJHOCPWVMLKVFL-NSHDSACASA-N 1 0 336.342 3.217 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1CCN(c2ccccn2)CC1 ZINC001173231648 1384940645 /nfs/dbraw/zinc/94/06/45/1384940645.db2.gz BOILPMAYJNUCMU-HNNXBMFYSA-N 1 0 340.427 3.179 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](Oc2ccccn2)C1 ZINC001173229780 1384940806 /nfs/dbraw/zinc/94/08/06/1384940806.db2.gz AAVCOFUAHUGVIW-YOEHRIQHSA-N 1 0 327.384 3.074 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCC(C)([NH+]2CCCC2)CC1 ZINC001173233358 1384941486 /nfs/dbraw/zinc/94/14/86/1384941486.db2.gz VSOVKHXBGUGSID-MRXNPFEDSA-N 1 0 331.460 3.476 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1ccc2c(c1)OCO2 ZINC001173232895 1384941577 /nfs/dbraw/zinc/94/15/77/1384941577.db2.gz JAUXTZGFXMXMGW-ZDUSSCGKSA-N 1 0 328.368 3.387 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCC(=O)Nc1ccc(F)cc1 ZINC001173234466 1384942274 /nfs/dbraw/zinc/94/22/74/1384942274.db2.gz OUDDVKBDGTTWIP-ZDUSSCGKSA-N 1 0 345.374 3.283 20 5 EGBDRO O=C([C@@H]1CC[N@@H+](C2CCCCC2)C1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001318949872 1385894257 /nfs/dbraw/zinc/89/42/57/1385894257.db2.gz QMQOKEIAWWWNOP-OAHLLOKOSA-N 1 0 343.427 3.092 20 5 EGBDRO CS[C@@H]1CC[C@H]([N@H+](C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC001319424139 1386115896 /nfs/dbraw/zinc/11/58/96/1386115896.db2.gz OGWFAQXCFUWRSP-UONOGXRCSA-N 1 0 348.428 3.361 20 5 EGBDRO O=C(Nc1cc2cccnc2c2ncccc12)C12CC[NH+](CC1)CC2 ZINC001181551011 1387015220 /nfs/dbraw/zinc/01/52/20/1387015220.db2.gz RXXYXLPFAJHTNV-UHFFFAOYSA-N 1 0 332.407 3.207 20 5 EGBDRO O=C(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)cc1 ZINC001338408275 1389675922 /nfs/dbraw/zinc/67/59/22/1389675922.db2.gz NKIBDIVAYZVAMR-UHFFFAOYSA-N 1 0 333.775 3.367 20 5 EGBDRO Cc1c(C(=O)OCc2c(F)cccc2[N+](=O)[O-])ccc2c[nH+]cn21 ZINC001342480458 1390616726 /nfs/dbraw/zinc/61/67/26/1390616726.db2.gz HBZWBFVFFHPEPD-UHFFFAOYSA-N 1 0 329.287 3.047 20 5 EGBDRO [NH3+]C[C@@]12CC[C@@H]1CCCN2C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC001345350561 1390856305 /nfs/dbraw/zinc/85/63/05/1390856305.db2.gz ZBPFSNKDZCVVAN-SJCJKPOMSA-N 1 0 345.424 3.153 20 5 EGBDRO C[NH+]1CCC(CNC(=O)Nc2ccc([N+](=O)[O-])c3ccccc23)CC1 ZINC001346630057 1390964161 /nfs/dbraw/zinc/96/41/61/1390964161.db2.gz CZYJOXGUFJNQAL-UHFFFAOYSA-N 1 0 342.399 3.211 20 5 EGBDRO C[C@@H]1C[C@H]2CC[C@H](C(=O)NC(C)(C)c3ccc([N+](=O)[O-])cc3)C[N@@H+]2C1 ZINC001346984364 1390990944 /nfs/dbraw/zinc/99/09/44/1390990944.db2.gz AAKRTSWABPUOIE-JKIFEVAISA-N 1 0 345.443 3.067 20 5 EGBDRO O=C(CC[NH+]1CC(c2ccc(F)cc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC001347927265 1391147501 /nfs/dbraw/zinc/14/75/01/1391147501.db2.gz TUWFKBPXSWYZCN-UHFFFAOYSA-N 1 0 343.358 3.162 20 5 EGBDRO CC(C)C(C)(C)C(=O)NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCC1 ZINC001754983013 1440721892 /nfs/dbraw/zinc/72/18/92/1440721892.db2.gz LSMIMWSBUNPSBK-UHFFFAOYSA-N 1 0 347.459 3.406 20 5 EGBDRO Cc1cc(N(C)CC2CC[NH+](C)CC2)nc2ccc([N+](=O)[O-])cc12 ZINC001165040703 721932187 /nfs/dbraw/zinc/93/21/87/721932187.db2.gz KIGMSZFFVIDXBT-UHFFFAOYSA-N 1 0 328.416 3.229 20 5 EGBDRO CO[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000050371367 214054393 /nfs/dbraw/zinc/05/43/93/214054393.db2.gz PQEFDSRWSHFLJK-DGCLKSJQSA-N 1 0 329.194 3.014 20 5 EGBDRO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@](CO)(c3ccccc3)C2)ccc1Cl ZINC000368260646 168333144 /nfs/dbraw/zinc/33/31/44/168333144.db2.gz MLVHLXFDZBUKLO-GOSISDBHSA-N 1 0 346.814 3.384 20 5 EGBDRO COc1cccc(C[NH+]2CCC(Nc3ccc([N+](=O)[O-])cn3)CC2)c1 ZINC000052486491 214130268 /nfs/dbraw/zinc/13/02/68/214130268.db2.gz JKYDTNVOWRFMDQ-UHFFFAOYSA-N 1 0 342.399 3.075 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H]1C1CCCC1 ZINC000055928085 214348935 /nfs/dbraw/zinc/34/89/35/214348935.db2.gz ZXZHRQZVHBKUAA-INIZCTEOSA-N 1 0 347.415 3.197 20 5 EGBDRO C[C@H](NC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000174105588 231122418 /nfs/dbraw/zinc/12/24/18/231122418.db2.gz QNFORJKKXXTWEC-HOCLYGCPSA-N 1 0 348.447 3.172 20 5 EGBDRO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)N1CCc2ccccc21 ZINC000056197267 214364812 /nfs/dbraw/zinc/36/48/12/214364812.db2.gz MCFPCBZQGKHMGQ-KBPBESRZSA-N 1 0 339.395 3.223 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000126050418 222644789 /nfs/dbraw/zinc/64/47/89/222644789.db2.gz NFGFEYRTUBWZQF-ZDUSSCGKSA-N 1 0 330.384 3.333 20 5 EGBDRO Cc1csc([C@@H]([NH2+]CCOc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000181599096 234248702 /nfs/dbraw/zinc/24/87/02/234248702.db2.gz MPFBGNGRDROHRA-HNNXBMFYSA-N 1 0 333.413 3.479 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)N2[C@H](C)CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000181830640 234342624 /nfs/dbraw/zinc/34/26/24/234342624.db2.gz NRAXCWCUWQCTKU-ZNMIVQPWSA-N 1 0 333.432 3.343 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCO[C@@]3(CCSC3)C2)c(Cl)c1 ZINC000183916578 235261233 /nfs/dbraw/zinc/26/12/33/235261233.db2.gz KKICRLOIFNRJRD-WFASDCNBSA-N 1 0 342.848 3.393 20 5 EGBDRO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)C2 ZINC000174660876 283260979 /nfs/dbraw/zinc/26/09/79/283260979.db2.gz ACDBOZBFQNMFJO-LSDHHAIUSA-N 1 0 345.443 3.201 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000188823352 236676869 /nfs/dbraw/zinc/67/68/69/236676869.db2.gz QXGSAKWNQSFEDV-UHFFFAOYSA-N 1 0 334.420 3.145 20 5 EGBDRO O=[N+]([O-])c1ccc(C[N@H+](CC2CCC3(CC2)OCCO3)C2CC2)cc1 ZINC000190314313 238383549 /nfs/dbraw/zinc/38/35/49/238383549.db2.gz NXNBZTIRKJIDBV-UHFFFAOYSA-N 1 0 346.427 3.493 20 5 EGBDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000075475953 216622773 /nfs/dbraw/zinc/62/27/73/216622773.db2.gz QTKXAAORKBJKDD-RDRICISKSA-N 1 0 333.432 3.235 20 5 EGBDRO Cc1ccc(NC(=O)N2CCC(CCC[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000133010540 223381432 /nfs/dbraw/zinc/38/14/32/223381432.db2.gz XKUDSCKDSXHEIF-UHFFFAOYSA-N 1 0 348.447 3.489 20 5 EGBDRO Cc1nc(C)n(C[C@H]2CCC[N@@H+]([C@H](C)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC000246990518 243349230 /nfs/dbraw/zinc/34/92/30/243349230.db2.gz AXIVKAFRKFZSPP-CJNGLKHVSA-N 1 0 343.431 3.276 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[NH2+]C2CCN(Cc3ccccc3)CC2)cc1 ZINC000078378126 217045381 /nfs/dbraw/zinc/04/53/81/217045381.db2.gz IKBVDLFFDWXPCH-UHFFFAOYSA-N 1 0 339.439 3.392 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCCCCC[NH+]1CCCCC1 ZINC000078613962 217087872 /nfs/dbraw/zinc/08/78/72/217087872.db2.gz XOFQPQPXQXLSLJ-UHFFFAOYSA-N 1 0 333.432 3.289 20 5 EGBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000080164212 217286077 /nfs/dbraw/zinc/28/60/77/217286077.db2.gz AACCXHUFWUGEOG-AWEZNQCLSA-N 1 0 334.420 3.099 20 5 EGBDRO O=C(NCCCCC[NH+]1CCCCC1)NCc1ccccc1[N+](=O)[O-] ZINC000111458564 220157837 /nfs/dbraw/zinc/15/78/37/220157837.db2.gz XHODCHKXHMFLSR-UHFFFAOYSA-N 1 0 348.447 3.050 20 5 EGBDRO CC(C)[NH+](CCNc1ncc([N+](=O)[O-])cc1Br)C(C)C ZINC000081940888 217454048 /nfs/dbraw/zinc/45/40/48/217454048.db2.gz XUWIXSNXJNPTRM-UHFFFAOYSA-N 1 0 345.241 3.283 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]([NH+]3CCCCC3)C2)cc1OC(F)F ZINC000266418412 248291312 /nfs/dbraw/zinc/29/13/12/248291312.db2.gz RSICUFJKMVXWPB-CYBMUJFWSA-N 1 0 341.358 3.261 20 5 EGBDRO COc1ccc(COCC[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000092855767 218177200 /nfs/dbraw/zinc/17/72/00/218177200.db2.gz AYAOTKRBYGGQCW-CQSZACIVSA-N 1 0 330.384 3.471 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000267415752 251039300 /nfs/dbraw/zinc/03/93/00/251039300.db2.gz JHPVQPZVHDYPDM-CYBMUJFWSA-N 1 0 330.388 3.096 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)COc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000268852279 252299971 /nfs/dbraw/zinc/29/99/71/252299971.db2.gz PZCQTJKJUHKEGM-CJNGLKHVSA-N 1 0 348.374 3.133 20 5 EGBDRO C[C@H]([NH2+]C[C@@H](CO)Cc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000268852246 252300337 /nfs/dbraw/zinc/30/03/37/252300337.db2.gz PXKOEESMZFPKRY-ZFWWWQNUSA-N 1 0 332.375 3.236 20 5 EGBDRO O=[N+]([O-])c1cc(F)c(N2CCC[C@H]([NH+]3CCCC3)CC2)c(F)c1 ZINC000121736351 285093845 /nfs/dbraw/zinc/09/38/45/285093845.db2.gz RBCFMBBAFZYSPD-LBPRGKRZSA-N 1 0 325.359 3.328 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[N@H+](C[C@@H]2CCCO2)[C@@H]2CCSC2)cc1 ZINC000089952879 285110597 /nfs/dbraw/zinc/11/05/97/285110597.db2.gz KVFFBHHWCBSJAE-SJORKVTESA-N 1 0 336.457 3.124 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1cnc3n1CCCC3)CCC2 ZINC000375323177 285143599 /nfs/dbraw/zinc/14/35/99/285143599.db2.gz YOBAXVXFGNABMP-KRWDZBQOSA-N 1 0 326.400 3.295 20 5 EGBDRO O=[N+]([O-])c1cnc2ccccc2c1N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000261777717 285186674 /nfs/dbraw/zinc/18/66/74/285186674.db2.gz XPDIOGMTGHIZPX-HNNXBMFYSA-N 1 0 326.400 3.111 20 5 EGBDRO CC[C@H]([NH2+][C@@H]1CCC[C@@H](C(=O)N(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000268949379 255501881 /nfs/dbraw/zinc/50/18/81/255501881.db2.gz VCIJTOWUUZZYHN-INMHGKMJSA-N 1 0 333.432 3.283 20 5 EGBDRO Cc1c([C@H](C)[NH2+]CC(=O)N(C)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000119100625 221244293 /nfs/dbraw/zinc/24/42/93/221244293.db2.gz PLEAHJBWHUTSII-HNNXBMFYSA-N 1 0 341.411 3.212 20 5 EGBDRO C[NH+](C)C1(CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CCCCC1 ZINC000338379406 141112052 /nfs/dbraw/zinc/11/20/52/141112052.db2.gz CNSLKNUUIWTCPT-UHFFFAOYSA-N 1 0 346.431 3.156 20 5 EGBDRO CC1(C)CCC[C@@]1(O)C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000339469548 141118190 /nfs/dbraw/zinc/11/81/90/141118190.db2.gz QCWRJXQQQYVMQN-MRXNPFEDSA-N 1 0 344.358 3.227 20 5 EGBDRO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCOC1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000348146222 141238682 /nfs/dbraw/zinc/23/86/82/141238682.db2.gz ULMBODJWYOSGLM-SGMGOOAPSA-N 1 0 346.387 3.111 20 5 EGBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]CCSCc3ccccc3)nc2c1 ZINC000356816726 141348001 /nfs/dbraw/zinc/34/80/01/141348001.db2.gz SWAWNPZPQLQARV-UHFFFAOYSA-N 1 0 342.424 3.494 20 5 EGBDRO Cc1cc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(C)s1 ZINC000173474513 144042965 /nfs/dbraw/zinc/04/29/65/144042965.db2.gz LAQBRNXKVPKAFQ-CQSZACIVSA-N 1 0 332.429 3.355 20 5 EGBDRO C[C@@H]([NH2+]CCCNC(=O)c1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000178654887 144073672 /nfs/dbraw/zinc/07/36/72/144073672.db2.gz KQQZAQVSLISULX-CYBMUJFWSA-N 1 0 345.374 3.205 20 5 EGBDRO Cn1ccnc1C[C@@H]1CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000184731667 144098357 /nfs/dbraw/zinc/09/83/57/144098357.db2.gz UOZGWCGUFRWUIU-WHWKNOJMSA-N 1 0 340.427 3.296 20 5 EGBDRO C[C@@H]1C[C@@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[N@@H+]1C ZINC000344634199 144202981 /nfs/dbraw/zinc/20/29/81/144202981.db2.gz RQUTVSXNEPGKME-OCCSQVGLSA-N 1 0 346.456 3.291 20 5 EGBDRO Cc1noc([C@H](C)[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])n1 ZINC000361600091 144335435 /nfs/dbraw/zinc/33/54/35/144335435.db2.gz BCTKAAPJAXAYGE-NJZAAPMLSA-N 1 0 330.388 3.348 20 5 EGBDRO COC1CCN(C2(C[NH2+]Cc3cccc([N+](=O)[O-])c3)CCCC2)CC1 ZINC000341280151 155227503 /nfs/dbraw/zinc/22/75/03/155227503.db2.gz GNLJMKGWGLRRBO-UHFFFAOYSA-N 1 0 347.459 3.108 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CCCc3ccccc3)C2)nc1 ZINC000118866923 152159079 /nfs/dbraw/zinc/15/90/79/152159079.db2.gz URKUIMBDZFQOLJ-MRXNPFEDSA-N 1 0 326.400 3.109 20 5 EGBDRO C[NH2+][C@H]1CCCN(Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C1 ZINC000261981886 153761462 /nfs/dbraw/zinc/76/14/62/153761462.db2.gz JHRHSYPTOZMACM-ZDUSSCGKSA-N 1 0 345.399 3.047 20 5 EGBDRO Cc1nc(N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)ccc1[N+](=O)[O-] ZINC000310372893 154142083 /nfs/dbraw/zinc/14/20/83/154142083.db2.gz OJOMLFHIASSPPF-GOEBONIOSA-N 1 0 326.400 3.373 20 5 EGBDRO CCn1c(C)nc([N+](=O)[O-])c1NC1CC[NH+](Cc2ccccc2)CC1 ZINC000311045351 154144598 /nfs/dbraw/zinc/14/45/98/154144598.db2.gz HCRWCCWBWCHYAO-UHFFFAOYSA-N 1 0 343.431 3.196 20 5 EGBDRO O=[N+]([O-])c1ccc(NCC[NH+]2CCSCC2)c(C(F)(F)F)c1 ZINC000318816876 154160218 /nfs/dbraw/zinc/16/02/18/154160218.db2.gz PRYZUWMGTPEZFL-UHFFFAOYSA-N 1 0 335.351 3.074 20 5 EGBDRO O=c1ccccn1C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000337284422 154259305 /nfs/dbraw/zinc/25/93/05/154259305.db2.gz JLSMWUAXBQLVPU-IBGZPJMESA-N 1 0 349.390 3.288 20 5 EGBDRO Cc1ccc(NC(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000337364805 154310455 /nfs/dbraw/zinc/31/04/55/154310455.db2.gz KLYUHVPFVWGIFY-TZMCWYRMSA-N 1 0 334.420 3.145 20 5 EGBDRO CCC(CC)[C@@H](CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)[NH+](C)C ZINC000337627447 154456304 /nfs/dbraw/zinc/45/63/04/154456304.db2.gz LDCXFWNMLIERHY-QGZVFWFLSA-N 1 0 348.447 3.258 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(C)(C)CC1 ZINC000339260186 154779294 /nfs/dbraw/zinc/77/92/94/154779294.db2.gz XFWYRGRUGHOPCN-UHFFFAOYSA-N 1 0 335.404 3.054 20 5 EGBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000345543699 156137126 /nfs/dbraw/zinc/13/71/26/156137126.db2.gz QVUORXWGRNLOIB-LLVKDONJSA-N 1 0 327.812 3.098 20 5 EGBDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNc2c([N+](=O)[O-])ncn2C)C1 ZINC000071954846 161647151 /nfs/dbraw/zinc/64/71/51/161647151.db2.gz KAKMAUUKRFYSEG-CQSZACIVSA-N 1 0 343.431 3.172 20 5 EGBDRO CCCC[N@H+](C)CCNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000112384562 162174686 /nfs/dbraw/zinc/17/46/86/162174686.db2.gz VQJFJKLRPVVNRW-UHFFFAOYSA-N 1 0 328.800 3.102 20 5 EGBDRO Cc1ccc(C(=O)Nc2cccc(OCC[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000337252315 163180620 /nfs/dbraw/zinc/18/06/20/163180620.db2.gz LBXIYMUFWJSHFW-UHFFFAOYSA-N 1 0 343.383 3.096 20 5 EGBDRO CC[N@H+](C)[C@H](C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000343771162 164030912 /nfs/dbraw/zinc/03/09/12/164030912.db2.gz SUIIIEHRAORVQP-KSSFIOAISA-N 1 0 341.411 3.465 20 5 EGBDRO CN(C)c1ccccc1C[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000344132753 164110735 /nfs/dbraw/zinc/11/07/35/164110735.db2.gz XDKINWWZNWWXTG-UHFFFAOYSA-N 1 0 329.400 3.172 20 5 EGBDRO C[C@@H]1CCCC[C@@H]1OCC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000345633639 164231229 /nfs/dbraw/zinc/23/12/29/164231229.db2.gz KPTVGKJURMWPMM-VYDXJSESSA-N 1 0 348.447 3.071 20 5 EGBDRO O=[N+]([O-])c1ccccc1OC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000351918899 165150961 /nfs/dbraw/zinc/15/09/61/165150961.db2.gz KPUDWEXBRNQVGO-QGZVFWFLSA-N 1 0 342.395 3.265 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000353940829 165927038 /nfs/dbraw/zinc/92/70/38/165927038.db2.gz LAPBSTVSGZEAEV-UHFFFAOYSA-N 1 0 346.431 3.249 20 5 EGBDRO CCC1(CC)[C@H]([NH2+][C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1OC ZINC000359422986 167152243 /nfs/dbraw/zinc/15/22/43/167152243.db2.gz WRJLHJNHCIHHHD-DAXOMENPSA-N 1 0 349.431 3.105 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CC1 ZINC000366260263 168099583 /nfs/dbraw/zinc/09/95/83/168099583.db2.gz QTZNYVLWZIFWEZ-KSZLIROESA-N 1 0 329.444 3.132 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2nc(C[NH2+]C3(C4CC4)CCOCC3)co2)cc1 ZINC000367566804 168243306 /nfs/dbraw/zinc/24/33/06/168243306.db2.gz SGBQZTPLEMKASX-UHFFFAOYSA-N 1 0 343.383 3.299 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@](CO)(C(C)C)C1 ZINC000368068570 168307262 /nfs/dbraw/zinc/30/72/62/168307262.db2.gz JBXBGSXGBQSFHU-SFHVURJKSA-N 1 0 336.432 3.222 20 5 EGBDRO C[C@H]1CCC[C@@](CNC(=O)CCc2cccc([N+](=O)[O-])c2)([NH+](C)C)C1 ZINC000087167371 264681321 /nfs/dbraw/zinc/68/13/21/264681321.db2.gz YMRDGEJGQIKQTJ-HNAYVOBHSA-N 1 0 347.459 3.154 20 5 EGBDRO Cc1ccc([C@H](C)NC(=O)N[C@H](C)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000175787414 265137070 /nfs/dbraw/zinc/13/70/70/265137070.db2.gz UKKFMNOKACKKEX-CABCVRRESA-N 1 0 348.447 3.138 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000177550133 265263284 /nfs/dbraw/zinc/26/32/84/265263284.db2.gz NLVQTVUYUDIPCP-GASCZTMLSA-N 1 0 331.416 3.354 20 5 EGBDRO C[N@H+]1C[C@H]2CN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)C[C@H]2C1 ZINC000194535398 266126298 /nfs/dbraw/zinc/12/62/98/266126298.db2.gz TVCMHKQFFCJRMI-GASCZTMLSA-N 1 0 343.452 3.317 20 5 EGBDRO CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000224068338 266198277 /nfs/dbraw/zinc/19/82/77/266198277.db2.gz UODAXRJMAMBCRS-GFCCVEGCSA-N 1 0 341.433 3.145 20 5 EGBDRO Cc1cc(NC(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)ccc1[N+](=O)[O-] ZINC000274793558 267287486 /nfs/dbraw/zinc/28/74/86/267287486.db2.gz IOWBXUQVJHIZAF-OAHLLOKOSA-N 1 0 346.431 3.099 20 5 EGBDRO CCC(C)(C)[NH2+][C@H](C)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000274842903 267294863 /nfs/dbraw/zinc/29/48/63/267294863.db2.gz UNJJKBAEWADGIU-LLVKDONJSA-N 1 0 341.839 3.074 20 5 EGBDRO Cc1cccc(NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)c1[N+](=O)[O-] ZINC000275475540 267366199 /nfs/dbraw/zinc/36/61/99/267366199.db2.gz OQGCXEOXZMNECY-KRWDZBQOSA-N 1 0 341.411 3.082 20 5 EGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC000278395060 268003571 /nfs/dbraw/zinc/00/35/71/268003571.db2.gz GFJLCHKRRRGZOC-SCLBCKFNSA-N 1 0 332.375 3.378 20 5 EGBDRO O=[N+]([O-])c1cc(F)c(NC2CC[NH+](Cc3cccnc3)CC2)c(F)c1 ZINC000278487709 268023931 /nfs/dbraw/zinc/02/39/31/268023931.db2.gz GRNFAPUAFNPGHG-UHFFFAOYSA-N 1 0 348.353 3.345 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C(C)C)C1CCCC1 ZINC000068448949 274099633 /nfs/dbraw/zinc/09/96/33/274099633.db2.gz SWYCDUWORBYXIP-UHFFFAOYSA-N 1 0 335.404 3.195 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000365063897 274722411 /nfs/dbraw/zinc/72/24/11/274722411.db2.gz BLCOWDQUEVQBNI-OAHLLOKOSA-N 1 0 346.431 3.304 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H](NC1CC[NH+](CC3CC3)CC1)CCC2 ZINC000192700141 275037749 /nfs/dbraw/zinc/03/77/49/275037749.db2.gz OFEZHRUAUYACTL-IBGZPJMESA-N 1 0 329.444 3.436 20 5 EGBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H](Cc2ccccc2)c2ccccc2)c1 ZINC000157574836 275195075 /nfs/dbraw/zinc/19/50/75/275195075.db2.gz BMMYQLNKZIOENF-IBGZPJMESA-N 1 0 336.395 3.365 20 5 EGBDRO CN(CC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)CC(F)(F)F ZINC000278847956 275280412 /nfs/dbraw/zinc/28/04/12/275280412.db2.gz VINKVEBINVYTQK-AWEZNQCLSA-N 1 0 331.338 3.056 20 5 EGBDRO CN(C)C1(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CCOCC1 ZINC000279010449 275295649 /nfs/dbraw/zinc/29/56/49/275295649.db2.gz GVPMFYKQQHQEAT-QGZVFWFLSA-N 1 0 347.459 3.018 20 5 EGBDRO COCCN1CCC([NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000279097802 275303556 /nfs/dbraw/zinc/30/35/56/275303556.db2.gz NZEGRHDPUIEAJQ-SFHVURJKSA-N 1 0 347.459 3.018 20 5 EGBDRO CC[N@@H+]1CC[C@@H](NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[C@H](C)C1 ZINC000279609676 275343828 /nfs/dbraw/zinc/34/38/28/275343828.db2.gz XGUMQDTWKJUFKR-IAQYHMDHSA-N 1 0 345.365 3.434 20 5 EGBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000279717818 275352803 /nfs/dbraw/zinc/35/28/03/275352803.db2.gz MBUBKZHGPWWSCO-UHFFFAOYSA-N 1 0 343.383 3.307 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@H](CO)CC3CCC3)cs2)c1 ZINC000279918258 275375617 /nfs/dbraw/zinc/37/56/17/275375617.db2.gz XGIBSGPLFIRSKI-AWEZNQCLSA-N 1 0 347.440 3.359 20 5 EGBDRO Cc1cc(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])n(C)n1 ZINC000284119939 275775844 /nfs/dbraw/zinc/77/58/44/275775844.db2.gz CMXIPDASGWPLTB-WMLDXEAASA-N 1 0 328.416 3.138 20 5 EGBDRO C[C@@H]([NH2+]CC[C@](C)(O)c1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285325851 275864916 /nfs/dbraw/zinc/86/49/16/275864916.db2.gz UABMCNFQOHHBDT-ACJLOTCBSA-N 1 0 329.400 3.125 20 5 EGBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000286580808 276019215 /nfs/dbraw/zinc/01/92/15/276019215.db2.gz YILRWVFRWARFRV-WCQYABFASA-N 1 0 341.358 3.259 20 5 EGBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000289247842 276310877 /nfs/dbraw/zinc/31/08/77/276310877.db2.gz NGZIIEWVOATETN-KRWDZBQOSA-N 1 0 345.424 3.025 20 5 EGBDRO CC(=O)Nc1ccccc1C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000289600658 276364450 /nfs/dbraw/zinc/36/44/50/276364450.db2.gz VDWHLJNMUKMIRM-UHFFFAOYSA-N 1 0 327.384 3.228 20 5 EGBDRO CCCN(CCC[NH+](C)C)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000289621312 276367597 /nfs/dbraw/zinc/36/75/97/276367597.db2.gz JVEFEUVWIUJEBP-UHFFFAOYSA-N 1 0 342.827 3.444 20 5 EGBDRO C[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1Cl)C1=CC[N@H+](C)CC1 ZINC000289743451 276386850 /nfs/dbraw/zinc/38/68/50/276386850.db2.gz QQWGTQWEOSLYTR-JTQLQIEISA-N 1 0 338.795 3.020 20 5 EGBDRO CC[C@@H](C)[NH2+][C@H](CNC(=O)c1cc(C)ccc1[N+](=O)[O-])c1ccco1 ZINC000359567271 276418764 /nfs/dbraw/zinc/41/87/64/276418764.db2.gz WTYIFLSFVUJBKK-UKRRQHHQSA-N 1 0 345.399 3.355 20 5 EGBDRO CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000122789668 277203988 /nfs/dbraw/zinc/20/39/88/277203988.db2.gz NNHPBKGAJLMZDP-KBPBESRZSA-N 1 0 335.404 3.130 20 5 EGBDRO CC(=O)c1cc(N2CCCC3(CC[NH+](C)CC3)C2)ccc1[N+](=O)[O-] ZINC000376424148 278244059 /nfs/dbraw/zinc/24/40/59/278244059.db2.gz YPQCHDLJKGZGAQ-UHFFFAOYSA-N 1 0 331.416 3.110 20 5 EGBDRO Cc1ccnc(N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c1[N+](=O)[O-] ZINC000265152458 278984376 /nfs/dbraw/zinc/98/43/76/278984376.db2.gz BSDFXJCWZMSZLI-INIZCTEOSA-N 1 0 332.448 3.247 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[N@@H+](CCO)[C@H]1CCCc2ccccc21 ZINC000074312172 280374466 /nfs/dbraw/zinc/37/44/66/280374466.db2.gz AYQYXPUWQQCWLM-IBGZPJMESA-N 1 0 326.396 3.467 20 5 EGBDRO Cc1ccccc1[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)C(C)C ZINC000183203474 292685176 /nfs/dbraw/zinc/68/51/76/292685176.db2.gz JWPDULDKLCKYPT-GOSISDBHSA-N 1 0 329.400 3.052 20 5 EGBDRO C[NH+](C)CCN(Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1F ZINC000348925760 289148101 /nfs/dbraw/zinc/14/81/01/289148101.db2.gz XZNADIVGQGKWIP-UHFFFAOYSA-N 1 0 331.391 3.298 20 5 EGBDRO COc1ccc(NC(=O)C[NH2+]C(C)(C)CC(C)(C)C)c([N+](=O)[O-])c1 ZINC000053123308 307334910 /nfs/dbraw/zinc/33/49/10/307334910.db2.gz SCTKAXDYRRWORY-UHFFFAOYSA-N 1 0 337.420 3.346 20 5 EGBDRO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)NCc1cccs1 ZINC000056196614 307342633 /nfs/dbraw/zinc/34/26/33/307342633.db2.gz XHMUKCGMAKZBQL-VXGBXAGGSA-N 1 0 333.413 3.012 20 5 EGBDRO COc1ccc(NC(=O)C[NH2+][C@@H]2CCCCC2(C)C)c([N+](=O)[O-])c1 ZINC000119883953 307500808 /nfs/dbraw/zinc/50/08/08/307500808.db2.gz YBBJPGGDNWGUIS-OAHLLOKOSA-N 1 0 335.404 3.100 20 5 EGBDRO COc1cc(OC)cc(OCCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000151145463 307729063 /nfs/dbraw/zinc/72/90/63/307729063.db2.gz XCQCFXSFQXQRIU-UHFFFAOYSA-N 1 0 346.383 3.171 20 5 EGBDRO COc1ccc([C@@H](CO)C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000414181760 309065320 /nfs/dbraw/zinc/06/53/20/309065320.db2.gz MTVWXGMXJHKAIN-WMLDXEAASA-N 1 0 344.411 3.339 20 5 EGBDRO CO[C@@](C)([C@H](C)[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000414219637 309067164 /nfs/dbraw/zinc/06/71/64/309067164.db2.gz AZZNVHFYNGXTBR-VBHSOAQHSA-N 1 0 349.431 3.105 20 5 EGBDRO C[C@]1(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCCC[C@H]1O ZINC000159155946 307869216 /nfs/dbraw/zinc/86/92/16/307869216.db2.gz VEYCSWKXFKPZOD-QXAKKESOSA-N 1 0 332.444 3.447 20 5 EGBDRO CC1(C)C[C@@H]([NH2+][C@@H]2CCCC(F)(F)[C@H]2O)c2cc([N+](=O)[O-])ccc21 ZINC000414294797 309071184 /nfs/dbraw/zinc/07/11/84/309071184.db2.gz FAPSUMQWRVSLKJ-KFWWJZLASA-N 1 0 340.370 3.456 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H](CO)c1ccc(F)cc1)CCC2 ZINC000414305868 309071740 /nfs/dbraw/zinc/07/17/40/309071740.db2.gz YVOGIMQFJCISHA-DNVCBOLYSA-N 1 0 344.386 3.477 20 5 EGBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000414341067 309073935 /nfs/dbraw/zinc/07/39/35/309073935.db2.gz NZQBVOQTPQKROD-KCPJHIHWSA-N 1 0 329.356 3.051 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[C@H]1CCO ZINC000249880048 308029125 /nfs/dbraw/zinc/02/91/25/308029125.db2.gz HLGFFLRBAAPAJD-LAQRGFTBSA-N 1 0 332.444 3.447 20 5 EGBDRO COc1cc(CNc2ccc(C[NH+](C)C)cc2F)c([N+](=O)[O-])cc1O ZINC000414490113 309084132 /nfs/dbraw/zinc/08/41/32/309084132.db2.gz QUQQFFFCEHFAKH-UHFFFAOYSA-N 1 0 349.362 3.122 20 5 EGBDRO O=C(NCCCCC[NH+]1CCCC1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000294037439 308185062 /nfs/dbraw/zinc/18/50/62/308185062.db2.gz XDRXYPVDVDFKMZ-UHFFFAOYSA-N 1 0 344.415 3.072 20 5 EGBDRO CC(C)(CCC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)[N+](=O)[O-] ZINC000294592690 308235724 /nfs/dbraw/zinc/23/57/24/308235724.db2.gz YQLHHUHBJVWQIU-UHFFFAOYSA-N 1 0 347.459 3.124 20 5 EGBDRO O=C1CCCN1[C@@H]1CCC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000414551603 309088469 /nfs/dbraw/zinc/08/84/69/309088469.db2.gz OSBBMJXDRYTQAZ-RJIDQJRZSA-N 1 0 343.427 3.085 20 5 EGBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000295405895 308323376 /nfs/dbraw/zinc/32/33/76/308323376.db2.gz MOTWWWQWBZRSEJ-RDJZCZTQSA-N 1 0 333.432 3.239 20 5 EGBDRO C[C@H](c1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000295592969 308341680 /nfs/dbraw/zinc/34/16/80/308341680.db2.gz MQTCIBSQGACSKU-ZIAGYGMSSA-N 1 0 333.432 3.269 20 5 EGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](C)CCCO ZINC000296656075 308452545 /nfs/dbraw/zinc/45/25/45/308452545.db2.gz ZISCVRVHSGLWBP-ZIAGYGMSSA-N 1 0 326.462 3.464 20 5 EGBDRO CC(C)(C)OC(=O)NCC1(C[NH2+]CCc2ccccc2[N+](=O)[O-])CC1 ZINC000297575094 308547256 /nfs/dbraw/zinc/54/72/56/308547256.db2.gz ICYXIOIHRYYKEU-UHFFFAOYSA-N 1 0 349.431 3.032 20 5 EGBDRO CN(C(=O)CC[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000298357938 308606700 /nfs/dbraw/zinc/60/67/00/308606700.db2.gz MUODYPMCDVJTCN-UHFFFAOYSA-N 1 0 341.411 3.473 20 5 EGBDRO C[C@H]([NH2+][C@H]1CCc2ccccc2NC1=O)c1cccc([N+](=O)[O-])c1 ZINC000299700451 308684868 /nfs/dbraw/zinc/68/48/68/308684868.db2.gz OYKJSGKKNVWHHT-SJCJKPOMSA-N 1 0 325.368 3.199 20 5 EGBDRO Cc1cccc(C[NH+]2CCN(c3cccc(F)c3[N+](=O)[O-])CC2)c1 ZINC000301084043 308687577 /nfs/dbraw/zinc/68/75/77/308687577.db2.gz IVCSDCMOLUTVCG-UHFFFAOYSA-N 1 0 329.375 3.365 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000340549876 308879833 /nfs/dbraw/zinc/87/98/33/308879833.db2.gz MRUGDBBAYWVKFE-ACJLOTCBSA-N 1 0 333.432 3.144 20 5 EGBDRO CC[C@H]1CCCC[C@@H]1[NH2+]CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000411546068 308943663 /nfs/dbraw/zinc/94/36/63/308943663.db2.gz ACGAWQZMDFRQPR-ZFWWWQNUSA-N 1 0 349.431 3.490 20 5 EGBDRO COc1ccc(NC(=O)CC[NH2+][C@H]2CCCCC2(C)C)c([N+](=O)[O-])c1 ZINC000411546655 308943705 /nfs/dbraw/zinc/94/37/05/308943705.db2.gz BEURKQHKSSFPQE-INIZCTEOSA-N 1 0 349.431 3.490 20 5 EGBDRO CC[C@H]1CCCC[C@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000411557529 308944092 /nfs/dbraw/zinc/94/40/92/308944092.db2.gz ZNPQBCUJEWWRCO-DZGCQCFKSA-N 1 0 349.431 3.490 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCC(C[NH+]3CCCC3)CC2)c2cccnc21 ZINC000413064414 309014127 /nfs/dbraw/zinc/01/41/27/309014127.db2.gz SNBXYJPXXJLBOJ-UHFFFAOYSA-N 1 0 340.427 3.455 20 5 EGBDRO C[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2C(F)(F)F)C[N@@H+]1C1CC1 ZINC000413185711 309020342 /nfs/dbraw/zinc/02/03/42/309020342.db2.gz NQNGFTDBHDWOOD-DTWKUNHWSA-N 1 0 330.310 3.046 20 5 EGBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1c1ccc([N+](=O)[O-])c2ncccc12 ZINC000413276672 309024843 /nfs/dbraw/zinc/02/48/43/309024843.db2.gz CTBWOBQHRSPGHO-UONOGXRCSA-N 1 0 326.400 3.206 20 5 EGBDRO C[C@H]1CN(c2ncc([N+](=O)[O-])cc2F)CC[N@H+](Cc2ccccc2)C1 ZINC000413330232 309027189 /nfs/dbraw/zinc/02/71/89/309027189.db2.gz ZYMKQYOVVGZSST-CQSZACIVSA-N 1 0 344.390 3.087 20 5 EGBDRO O=[N+]([O-])c1cc(CN[C@@H]2CCC[NH2+]C2)ccc1Oc1ccc(F)cc1 ZINC000414871688 309106635 /nfs/dbraw/zinc/10/66/35/309106635.db2.gz VFYOBRLDZMMNIN-OAHLLOKOSA-N 1 0 345.374 3.368 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000415487711 309134927 /nfs/dbraw/zinc/13/49/27/309134927.db2.gz ULXCHVIBJXMDPR-OAHLLOKOSA-N 1 0 334.420 3.111 20 5 EGBDRO C[C@H](NC(=O)C[C@H](c1ccccc1)[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000416237182 309165227 /nfs/dbraw/zinc/16/52/27/309165227.db2.gz DGULYDIBQNZKNB-KBXCAEBGSA-N 1 0 341.411 3.465 20 5 EGBDRO C[C@H](NC(=O)NCC1([NH3+])CCCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000418234970 309240564 /nfs/dbraw/zinc/24/05/64/309240564.db2.gz RFDCYOMLCKKQHQ-ZDUSSCGKSA-N 1 0 334.420 3.007 20 5 EGBDRO CCCC[C@H](C[NH3+])NC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000418443401 309246309 /nfs/dbraw/zinc/24/63/09/309246309.db2.gz KWNIFTRWOYGRKS-HZPDHXFCSA-N 1 0 348.447 3.001 20 5 EGBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)CCCC[NH3+] ZINC000418713682 309254428 /nfs/dbraw/zinc/25/44/28/309254428.db2.gz XHSDJQRPZIYDED-CQSZACIVSA-N 1 0 336.436 3.032 20 5 EGBDRO O=C(NCCC[NH2+]C1CCCCC1)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000419916599 309273350 /nfs/dbraw/zinc/27/33/50/309273350.db2.gz FVOMFBCFAADJKW-UHFFFAOYSA-N 1 0 344.415 3.118 20 5 EGBDRO [NH3+][C@@H]1CCC[C@@H]2CN(c3c(Cl)cc(Cl)cc3[N+](=O)[O-])C[C@@H]21 ZINC000420225188 309277521 /nfs/dbraw/zinc/27/75/21/309277521.db2.gz CNBWCJFMTQUMAP-UBHAPETDSA-N 1 0 330.215 3.465 20 5 EGBDRO Cc1cc(N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420227152 309277564 /nfs/dbraw/zinc/27/75/64/309277564.db2.gz IMLAMGJGZFNCHN-GVXVVHGQSA-N 1 0 343.349 3.486 20 5 EGBDRO CC[C@@H]([NH3+])CNc1ccc(C(=O)Nc2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000420255371 309278213 /nfs/dbraw/zinc/27/82/13/309278213.db2.gz BDEHDXYOWCVQSJ-CQSZACIVSA-N 1 0 342.399 3.305 20 5 EGBDRO CCc1ccccc1[C@@H]([NH3+])CNc1ccc([N+](=O)[O-])c(C(C)=O)c1 ZINC000420289001 309279449 /nfs/dbraw/zinc/27/94/49/309279449.db2.gz YZJJTOCYJKYVCI-KRWDZBQOSA-N 1 0 327.384 3.472 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000420311730 309281208 /nfs/dbraw/zinc/28/12/08/309281208.db2.gz HPGLXKRXMGFPBJ-MDASCCDHSA-N 1 0 325.412 3.391 20 5 EGBDRO O=C(CC[N@@H+]1CC[C@@H](C2CCCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000420967175 309304991 /nfs/dbraw/zinc/30/49/91/309304991.db2.gz XNRNDOIJXKUGIN-OAHLLOKOSA-N 1 0 331.416 3.436 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000421495634 309327129 /nfs/dbraw/zinc/32/71/29/309327129.db2.gz JZKJYOXFCUMYBW-CQSZACIVSA-N 1 0 333.432 3.014 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC1CCC([NH+](C)C)CC1 ZINC000421678420 309334245 /nfs/dbraw/zinc/33/42/45/309334245.db2.gz AACUWFZYOJBTRF-UHFFFAOYSA-N 1 0 333.432 3.123 20 5 EGBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1 ZINC000422992471 309379892 /nfs/dbraw/zinc/37/98/92/309379892.db2.gz COVOHVHHLDDMMZ-KRWDZBQOSA-N 1 0 341.411 3.279 20 5 EGBDRO CCc1ccc([C@H](NC[C@@H]2CCC[NH2+]C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000423205655 309390305 /nfs/dbraw/zinc/39/03/05/309390305.db2.gz FJTOKYXYEWRXOO-AUUYWEPGSA-N 1 0 343.427 3.429 20 5 EGBDRO CCc1ccc([C@H](NC[C@H]2CCC[NH2+]2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000423230013 309391410 /nfs/dbraw/zinc/39/14/10/309391410.db2.gz CNDMDHJNJROWRS-RDTXWAMCSA-N 1 0 329.400 3.181 20 5 EGBDRO CC[NH2+][C@H](C)CN[C@@H](c1ccc(CC)o1)c1ccc([N+](=O)[O-])cc1 ZINC000423384782 309397980 /nfs/dbraw/zinc/39/79/80/309397980.db2.gz QMFZMAQPXBOZDQ-FZKQIMNGSA-N 1 0 331.416 3.427 20 5 EGBDRO COc1ccc(NC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)cc1[N+](=O)[O-] ZINC000423723281 309410781 /nfs/dbraw/zinc/41/07/81/309410781.db2.gz LJLKXWRWJAONFD-MRXNPFEDSA-N 1 0 343.383 3.268 20 5 EGBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1C[C@H]1C1CCC1 ZINC000424287749 309436676 /nfs/dbraw/zinc/43/66/76/309436676.db2.gz HWUPTWSXRPSHFC-JDFRZJQESA-N 1 0 331.416 3.338 20 5 EGBDRO CCC(CC)(CCO)[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425447413 309480733 /nfs/dbraw/zinc/48/07/33/309480733.db2.gz RSOZCBGQJCHDGC-UHFFFAOYSA-N 1 0 345.237 3.388 20 5 EGBDRO COc1ccccc1-n1nccc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000430027964 309595145 /nfs/dbraw/zinc/59/51/45/309595145.db2.gz UAKCCRUFKINWJB-UHFFFAOYSA-N 1 0 338.367 3.079 20 5 EGBDRO CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000430817541 309618547 /nfs/dbraw/zinc/61/85/47/309618547.db2.gz UEIGLOSMLOFRKW-CHWSQXEVSA-N 1 0 339.461 3.287 20 5 EGBDRO C[NH+](C)[C@@H]1CCC[C@H](Nc2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000436384548 309754345 /nfs/dbraw/zinc/75/43/45/309754345.db2.gz GKVLKYYWDLPOCX-VHSXEESVSA-N 1 0 332.326 3.293 20 5 EGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCOCc2ccccc2)n1 ZINC000447531299 309980943 /nfs/dbraw/zinc/98/09/43/309980943.db2.gz OTFWSICNDBSOHH-DLBZAZTESA-N 1 0 344.415 3.081 20 5 EGBDRO CCOc1ccccc1C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447529326 309980949 /nfs/dbraw/zinc/98/09/49/309980949.db2.gz LQXGOZJEFGZFBM-HZPDHXFCSA-N 1 0 344.415 3.464 20 5 EGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCCNc2ccccc2)n1 ZINC000447537216 309981328 /nfs/dbraw/zinc/98/13/28/309981328.db2.gz UBVVXUQOLSLLNC-IAGOWNOFSA-N 1 0 343.431 3.367 20 5 EGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CC2Cc3ccccc3C2)n1 ZINC000447579649 309982956 /nfs/dbraw/zinc/98/29/56/309982956.db2.gz LAEWENOGTWVSHG-ZWKOTPCHSA-N 1 0 340.427 3.280 20 5 EGBDRO O=[N+]([O-])c1cccc(/C=C/c2nc(-c3ccn4c[nH+]cc4c3)no2)c1 ZINC000447966508 309994715 /nfs/dbraw/zinc/99/47/15/309994715.db2.gz WMPJRNYDQGWVFP-SNAWJCMRSA-N 1 0 333.307 3.463 20 5 EGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(OCC2CC2)nc1 ZINC000449111674 310037900 /nfs/dbraw/zinc/03/79/00/310037900.db2.gz AOWBWGPPFMPFPJ-CQSZACIVSA-N 1 0 341.411 3.499 20 5 EGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1nccn1CC(F)(F)F ZINC000449114688 310038137 /nfs/dbraw/zinc/03/81/37/310038137.db2.gz DONDCMPPOLTFCM-LLVKDONJSA-N 1 0 342.321 3.074 20 5 EGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCOc1ccc(F)cc1F ZINC000449127919 310038919 /nfs/dbraw/zinc/03/89/19/310038919.db2.gz QTENEXJHWUJBBI-LBPRGKRZSA-N 1 0 336.338 3.473 20 5 EGBDRO COc1ccc2c(c1)OC[C@@H]([NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])C2 ZINC000449212242 310044904 /nfs/dbraw/zinc/04/49/04/310044904.db2.gz ZLZGCQLENMGKFU-CJNGLKHVSA-N 1 0 342.395 3.128 20 5 EGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](c1cccs1)N(C)C ZINC000449218817 310045478 /nfs/dbraw/zinc/04/54/78/310045478.db2.gz KZZHNPUCUSCROB-CZUORRHYSA-N 1 0 333.457 3.480 20 5 EGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccnc(N2CCCC2)c1 ZINC000449328435 310053950 /nfs/dbraw/zinc/05/39/50/310053950.db2.gz JJTOUCXYPYVNCZ-HNNXBMFYSA-N 1 0 340.427 3.311 20 5 EGBDRO CC[C@@H]1C[C@H]1C[NH2+]Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000449483708 310065767 /nfs/dbraw/zinc/06/57/67/310065767.db2.gz JYLYMOHCRHDDKQ-MNOVXSKESA-N 1 0 344.358 3.383 20 5 EGBDRO CC(C)(C)O[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)[C@H]1n1cccn1 ZINC000449656674 310078088 /nfs/dbraw/zinc/07/80/88/310078088.db2.gz LWFABHMQKIJBBA-BRWVUGGUSA-N 1 0 344.415 3.078 20 5 EGBDRO COc1ccc(-c2ccc(C[NH2+]C[C@H](O)C3CCC3)o2)c([N+](=O)[O-])c1 ZINC000449738262 310083395 /nfs/dbraw/zinc/08/33/95/310083395.db2.gz ALLDPJUCQKHBJY-KRWDZBQOSA-N 1 0 346.383 3.114 20 5 EGBDRO C[C@@H](c1ccccc1)[C@@H](O)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000450483526 310125471 /nfs/dbraw/zinc/12/54/71/310125471.db2.gz IWRWCZMGWZHOTJ-LIRRHRJNSA-N 1 0 326.396 3.118 20 5 EGBDRO Cc1cc(N2CC[C@@H]3C[C@@H](O)CC[C@@H]3C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000450813552 310143905 /nfs/dbraw/zinc/14/39/05/310143905.db2.gz OYZSEAHIDVUDLP-FMKPAKJESA-N 1 0 341.411 3.439 20 5 EGBDRO COc1ccc(NC(=O)CC[NH2+][C@@H]2CCC23CCCC3)c([N+](=O)[O-])c1 ZINC000451465110 310179559 /nfs/dbraw/zinc/17/95/59/310179559.db2.gz ZQAQHXCEHCLNGS-MRXNPFEDSA-N 1 0 347.415 3.244 20 5 EGBDRO Cc1nccn1CCC[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451545980 310184672 /nfs/dbraw/zinc/18/46/72/310184672.db2.gz ILLIXBZLWLNKQR-KRWDZBQOSA-N 1 0 328.416 3.369 20 5 EGBDRO CO[C@@H]1CCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@H]1C ZINC000451566330 310186887 /nfs/dbraw/zinc/18/68/87/310186887.db2.gz MAQSPVLKODCDNQ-QMTHXVAHSA-N 1 0 332.322 3.470 20 5 EGBDRO O=[N+]([O-])c1ccc(OCCN2CCOC[C@H]2c2ccc(F)cc2)cc1 ZINC000451798363 310197727 /nfs/dbraw/zinc/19/77/27/310197727.db2.gz LRCDZUVXPTUONH-SFHVURJKSA-N 1 0 346.358 3.186 20 5 EGBDRO COc1ccc(C[NH2+][C@@H](C)CCCc2cccnc2)cc1[N+](=O)[O-] ZINC000453075356 310256287 /nfs/dbraw/zinc/25/62/87/310256287.db2.gz DZRLOZIGFABXDC-AWEZNQCLSA-N 1 0 329.400 3.499 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+][C@H]2CC[C@@H](CO)C2)c2ccccc2)c1 ZINC000453276383 310268650 /nfs/dbraw/zinc/26/86/50/310268650.db2.gz YYBNQCLIKKJUPF-LJHODMEESA-N 1 0 326.396 3.435 20 5 EGBDRO C[C@@H]1C[C@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c2nccn21 ZINC000453335974 310271699 /nfs/dbraw/zinc/27/16/99/310271699.db2.gz FEVCNOSZGIXPQE-KCXAZCMYSA-N 1 0 326.400 3.408 20 5 EGBDRO CCC(C)(C)OCC[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000453617343 310284794 /nfs/dbraw/zinc/28/47/94/310284794.db2.gz QZGXHSTYGQDKDX-UHFFFAOYSA-N 1 0 332.347 3.491 20 5 EGBDRO C[C@@H]1CC[C@H](C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)O1 ZINC000453628416 310285728 /nfs/dbraw/zinc/28/57/28/310285728.db2.gz JIKADEQNDNBRFA-IAQYHMDHSA-N 1 0 333.413 3.375 20 5 EGBDRO C[C@@H]1CC[C@@H](C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)O1 ZINC000453628415 310285779 /nfs/dbraw/zinc/28/57/79/310285779.db2.gz JIKADEQNDNBRFA-ABAIWWIYSA-N 1 0 333.413 3.375 20 5 EGBDRO C[C@H](NC(=O)NCC1([NH+](C)C)CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000454237221 310298853 /nfs/dbraw/zinc/29/88/53/310298853.db2.gz HAUDQKKBHNCXLH-AWEZNQCLSA-N 1 0 348.447 3.220 20 5 EGBDRO O=C(NCCCCC[NH+]1CCCC1)Nc1ccc([N+](=O)[O-])cc1F ZINC000454242016 310299072 /nfs/dbraw/zinc/29/90/72/310299072.db2.gz CQWLXBOWHLAKFW-UHFFFAOYSA-N 1 0 338.383 3.122 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC(C)(C)CCC[NH+](C)C ZINC000455136176 310346466 /nfs/dbraw/zinc/34/64/66/310346466.db2.gz GQJCJRODOPTLRQ-UHFFFAOYSA-N 1 0 336.436 3.454 20 5 EGBDRO CC[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1NC(C)C)[NH+](CC)CC ZINC000456170235 310391743 /nfs/dbraw/zinc/39/17/43/310391743.db2.gz BTFJWYYNTXKZRX-MRXNPFEDSA-N 1 0 336.436 3.474 20 5 EGBDRO Cc1cc(NC(=O)Cc2cccc([N+](=O)[O-])c2C)ccc1C[NH+](C)C ZINC000458267114 310495372 /nfs/dbraw/zinc/49/53/72/310495372.db2.gz FELHXXLZGXDXOZ-UHFFFAOYSA-N 1 0 341.411 3.454 20 5 EGBDRO CCC[C@@H]([NH2+]CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C1CCC1 ZINC000459803708 310576395 /nfs/dbraw/zinc/57/63/95/310576395.db2.gz OBTBORWVJJWNRA-CQSZACIVSA-N 1 0 335.404 3.100 20 5 EGBDRO CCC[C@@H]([NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C1CCC1 ZINC000459813904 310576666 /nfs/dbraw/zinc/57/66/66/310576666.db2.gz WTFAYTHJUJNUBK-OAHLLOKOSA-N 1 0 347.415 3.451 20 5 EGBDRO C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C(C)(C)C[NH+](C)C ZINC000467237275 310670897 /nfs/dbraw/zinc/67/08/97/310670897.db2.gz VNLOIPNCCZKEOG-JTQLQIEISA-N 1 0 342.827 3.346 20 5 EGBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H]2CC[C@@H](C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000481187452 310907975 /nfs/dbraw/zinc/90/79/75/310907975.db2.gz GKGDEMHBVQIROE-UMVBOHGHSA-N 1 0 349.431 3.346 20 5 EGBDRO Cc1ccccc1O[C@@H]1CCCC[C@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000484659098 310968016 /nfs/dbraw/zinc/96/80/16/310968016.db2.gz YCAMJJZEBSHILS-NVXWUHKLSA-N 1 0 344.415 3.080 20 5 EGBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)C[C@@H](C)C1 ZINC000488727140 311076493 /nfs/dbraw/zinc/07/64/93/311076493.db2.gz ATYCFVRBPMZCES-IYOUNJFTSA-N 1 0 340.427 3.310 20 5 EGBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000488917363 311084704 /nfs/dbraw/zinc/08/47/04/311084704.db2.gz MDEDYPBFADVNIH-CQSZACIVSA-N 1 0 348.447 3.004 20 5 EGBDRO C[C@H]1CCCC[C@H]1NC(=O)CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000490831550 311154284 /nfs/dbraw/zinc/15/42/84/311154284.db2.gz YMNLNEIARROJHZ-KBXCAEBGSA-N 1 0 345.443 3.254 20 5 EGBDRO C[C@@H]([NH2+]Cc1cccc(N2CCOC2=O)c1)c1ccc([N+](=O)[O-])cc1 ZINC000493445024 311377128 /nfs/dbraw/zinc/37/71/28/311377128.db2.gz PLVKHNGFLOPHJW-CYBMUJFWSA-N 1 0 341.367 3.402 20 5 EGBDRO COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000508966000 312106358 /nfs/dbraw/zinc/10/63/58/312106358.db2.gz UYUGZBUACYGZCL-BLLLJJGKSA-N 1 0 342.342 3.085 20 5 EGBDRO Cc1c(NC(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000510323676 312138510 /nfs/dbraw/zinc/13/85/10/312138510.db2.gz BFZPEKIINMDCTN-MGPQQGTHSA-N 1 0 348.447 3.391 20 5 EGBDRO C[C@H]1C[C@@H](CCNc2ccc([N+](=O)[O-])cn2)C[N@@H+]1Cc1ccccc1 ZINC000511599247 312164140 /nfs/dbraw/zinc/16/41/40/312164140.db2.gz OILMZWIORIUGBR-DOTOQJQBSA-N 1 0 340.427 3.124 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000512500424 312188254 /nfs/dbraw/zinc/18/82/54/312188254.db2.gz WPLCVORBUARVOR-KRWDZBQOSA-N 1 0 347.459 3.390 20 5 EGBDRO O=C(CC[NH2+]C[C@@H]1CCc2ccccc21)Nc1ccccc1[N+](=O)[O-] ZINC000514931841 312254583 /nfs/dbraw/zinc/25/45/83/312254583.db2.gz ABEVDKDTRBKELU-HNNXBMFYSA-N 1 0 339.395 3.243 20 5 EGBDRO C[C@H](C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000515430654 312282450 /nfs/dbraw/zinc/28/24/50/312282450.db2.gz GGJFLAQTCXWUNY-QLFBSQMISA-N 1 0 345.443 3.347 20 5 EGBDRO C[NH+](C)C1(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CCCCC1 ZINC000516377995 312321723 /nfs/dbraw/zinc/32/17/23/312321723.db2.gz SGOULMFYWIEWPV-UHFFFAOYSA-N 1 0 345.399 3.335 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000517023697 312358902 /nfs/dbraw/zinc/35/89/02/312358902.db2.gz OUAWFLFJHSWWEB-UHFFFAOYSA-N 1 0 347.459 3.404 20 5 EGBDRO CCOc1ccc(NC(=O)C[NH2+][C@H]2[C@H](C)CCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000518439633 312416639 /nfs/dbraw/zinc/41/66/39/312416639.db2.gz KKKFICRVVBNLBB-MCBXIFIFSA-N 1 0 349.431 3.346 20 5 EGBDRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000518430468 312416661 /nfs/dbraw/zinc/41/66/61/312416661.db2.gz CSNITXITUFQIFV-KBPBESRZSA-N 1 0 348.447 3.473 20 5 EGBDRO CC(C)c1ccc(C(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000519640535 312467581 /nfs/dbraw/zinc/46/75/81/312467581.db2.gz NVYFMVGFPSSYCU-AWEZNQCLSA-N 1 0 345.443 3.322 20 5 EGBDRO C[NH+](C)CC[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)C(C)(C)C ZINC000522476680 312591078 /nfs/dbraw/zinc/59/10/78/312591078.db2.gz PSSWPZBHLJPANL-MRXNPFEDSA-N 1 0 347.415 3.437 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccc4ccccc4c3)CC2)cn1 ZINC000525328927 312719706 /nfs/dbraw/zinc/71/97/06/312719706.db2.gz UWKDCJLEQIWHFX-UHFFFAOYSA-N 1 0 348.406 3.465 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCc2nc(C)ncc2C1 ZINC000526047035 312786317 /nfs/dbraw/zinc/78/63/17/312786317.db2.gz AOYXIBGFGOVNAC-MSGBMKDASA-N 1 0 338.411 3.244 20 5 EGBDRO COc1ccc(F)cc1[C@H](C)[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000539271148 314304122 /nfs/dbraw/zinc/30/41/22/314304122.db2.gz VQYKXKMJZIIDQK-LBPRGKRZSA-N 1 0 334.347 3.472 20 5 EGBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1CCCCS1 ZINC000544383648 314691281 /nfs/dbraw/zinc/69/12/81/314691281.db2.gz DPSFDDMEYKMOFU-WFASDCNBSA-N 1 0 337.445 3.187 20 5 EGBDRO C[C@H](C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Cn1cccn1 ZINC000549170244 315079732 /nfs/dbraw/zinc/07/97/32/315079732.db2.gz JXQVZAYMSPXRBN-CQSZACIVSA-N 1 0 340.383 3.477 20 5 EGBDRO CC[C@H](C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000551888086 315174794 /nfs/dbraw/zinc/17/47/94/315174794.db2.gz IVBNMAMRLAXCSG-CRAIPNDOSA-N 1 0 344.411 3.118 20 5 EGBDRO Cc1nn(C)c2ncc(C[NH2+][C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)cc12 ZINC000557833319 315537641 /nfs/dbraw/zinc/53/76/41/315537641.db2.gz LOYFMPYSLUMQEF-LBPRGKRZSA-N 1 0 339.399 3.344 20 5 EGBDRO Cc1cc(N2CCC[C@H]([NH+](C)C)C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000558903755 315609092 /nfs/dbraw/zinc/60/90/92/315609092.db2.gz OTVFOONAUWJKFC-NSHDSACASA-N 1 0 331.338 3.452 20 5 EGBDRO O=C(CC[NH2+][C@H]1CCc2ccc(F)cc21)Nc1ccccc1[N+](=O)[O-] ZINC000568741549 316816085 /nfs/dbraw/zinc/81/60/85/316816085.db2.gz XOEUDQBDVFMTKU-HNNXBMFYSA-N 1 0 343.358 3.340 20 5 EGBDRO CC(C)(C)N1CC[C@@H]([NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1=O ZINC000571560809 317216971 /nfs/dbraw/zinc/21/69/71/317216971.db2.gz HGTPIVNBYINLDF-CVEARBPZSA-N 1 0 345.443 3.306 20 5 EGBDRO C[C@@H](C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1cccs1 ZINC000572393749 317332405 /nfs/dbraw/zinc/33/24/05/317332405.db2.gz WBDCCFVYUAMFCW-CYBMUJFWSA-N 1 0 347.440 3.453 20 5 EGBDRO [NH3+][C@H](CC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccccc1 ZINC000572606318 317363953 /nfs/dbraw/zinc/36/39/53/317363953.db2.gz NCIFAXRQSROKJH-GOSISDBHSA-N 1 0 339.395 3.176 20 5 EGBDRO CC1(C)C[C@H]([NH2+]C[C@@H](CO)Cc2ccco2)c2cc([N+](=O)[O-])ccc21 ZINC000572820197 317396193 /nfs/dbraw/zinc/39/61/93/317396193.db2.gz AJRWVBALEJWUBO-UGSOOPFHSA-N 1 0 344.411 3.351 20 5 EGBDRO COC(=O)c1ccc(CN(C)Cc2ccccc2[N+](=O)[O-])c(F)c1 ZINC000179457860 323389402 /nfs/dbraw/zinc/38/94/02/323389402.db2.gz JKVFXUXMWRBTIB-UHFFFAOYSA-N 1 0 332.331 3.153 20 5 EGBDRO C[NH+](C)Cc1ccccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000577982139 324898430 /nfs/dbraw/zinc/89/84/30/324898430.db2.gz KRONYLQHFMGNRQ-UHFFFAOYSA-N 1 0 347.802 3.491 20 5 EGBDRO CCC[C@H](C)[C@@H](CO)[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000578775578 325017433 /nfs/dbraw/zinc/01/74/33/325017433.db2.gz CCHFUGNWPVUYJG-XJKSGUPXSA-N 1 0 347.415 3.179 20 5 EGBDRO CO[C@]1(C)C[C@@H]([N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1(C)C ZINC000579551112 325124800 /nfs/dbraw/zinc/12/48/00/325124800.db2.gz CDAYNVSDGWPGPC-RHSMWYFYSA-N 1 0 332.404 3.107 20 5 EGBDRO Cc1c(NC(=O)c2ccc(CC[NH+](C)C)cc2)cccc1[N+](=O)[O-] ZINC000579729238 325152197 /nfs/dbraw/zinc/15/21/97/325152197.db2.gz MWOXZDSBPJPXDZ-UHFFFAOYSA-N 1 0 327.384 3.260 20 5 EGBDRO CC[C@H](C(=O)NCc1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1ccccc1 ZINC000580131985 325206164 /nfs/dbraw/zinc/20/61/64/325206164.db2.gz NSPNQEVWBZUZKO-GOSISDBHSA-N 1 0 341.411 3.122 20 5 EGBDRO CC(C)C1CCC([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000581998816 325405480 /nfs/dbraw/zinc/40/54/80/325405480.db2.gz XTRMXVZIPMYWTH-GPANFISMSA-N 1 0 336.432 3.139 20 5 EGBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@]2(O)CCC[C@@H](C(F)(F)F)C2)cs1 ZINC000189602283 455222306 /nfs/dbraw/zinc/22/23/06/455222306.db2.gz KPPPIXXKGFUOEU-PWSUYJOCSA-N 1 0 338.351 3.230 20 5 EGBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@]2(O)CCC[C@H](C(F)(F)F)C2)cs1 ZINC000189602262 455222525 /nfs/dbraw/zinc/22/25/25/455222525.db2.gz KPPPIXXKGFUOEU-CMPLNLGQSA-N 1 0 338.351 3.230 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCCC[N@@H+](C)C2CCCCC2)c1 ZINC000173043351 455223453 /nfs/dbraw/zinc/22/34/53/455223453.db2.gz LISHXBAHVNEGQO-UHFFFAOYSA-N 1 0 333.432 3.288 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CC[C@@](O)(C(F)(F)F)C2)c(Cl)c1 ZINC000589938155 459053600 /nfs/dbraw/zinc/05/36/00/459053600.db2.gz GOGZODPJAFIQFU-SKDRFNHKSA-N 1 0 338.713 3.184 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@H]3CCC[C@H]3CCO)cs2)c1 ZINC000189925569 455254532 /nfs/dbraw/zinc/25/45/32/455254532.db2.gz WAAITMKUZPSYRB-LRDDRELGSA-N 1 0 347.440 3.359 20 5 EGBDRO C[NH+](C)CCCOc1cccc(NC(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000264670793 455260771 /nfs/dbraw/zinc/26/07/71/455260771.db2.gz PJYZBSBJKZPKDR-UHFFFAOYSA-N 1 0 349.412 3.239 20 5 EGBDRO C[C@@H]([NH2+]CCN1CCc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000173305208 455262332 /nfs/dbraw/zinc/26/23/32/455262332.db2.gz VOAOHBUISISDKJ-OAHLLOKOSA-N 1 0 325.412 3.304 20 5 EGBDRO CC(=O)Nc1cccc(OCC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000173383275 455276407 /nfs/dbraw/zinc/27/64/07/455276407.db2.gz RHVAAZMDUMMNQF-ZDUSSCGKSA-N 1 0 343.383 3.283 20 5 EGBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000600725796 460581226 /nfs/dbraw/zinc/58/12/26/460581226.db2.gz KFIBQPZZSKMNAI-NQBHXWOUSA-N 1 0 331.338 3.115 20 5 EGBDRO C[N@@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C[C@H]1CCC[C@H]1O ZINC000245693991 455357543 /nfs/dbraw/zinc/35/75/43/455357543.db2.gz AZQLMEAQDXSECF-RHSMWYFYSA-N 1 0 330.384 3.448 20 5 EGBDRO CC(C)[NH+](CCNC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(C)C ZINC000013075341 453442144 /nfs/dbraw/zinc/44/21/44/453442144.db2.gz IOJWLNXJIBTUFU-UHFFFAOYSA-N 1 0 327.812 3.097 20 5 EGBDRO CC[NH+](CC)Cc1ccc(CNC(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000016110026 453596016 /nfs/dbraw/zinc/59/60/16/453596016.db2.gz JLYLKBIBWAMVEL-UHFFFAOYSA-N 1 0 341.411 3.367 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@H](C)C(C)(C)C ZINC000027136792 453811732 /nfs/dbraw/zinc/81/17/32/453811732.db2.gz GEWJQZRHZWJIPW-GFCCVEGCSA-N 1 0 337.420 3.298 20 5 EGBDRO CC[N@H+](CCc1ccccc1)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000052968307 453850884 /nfs/dbraw/zinc/85/08/84/453850884.db2.gz KVWFMCIQBQISFK-UHFFFAOYSA-N 1 0 327.384 3.098 20 5 EGBDRO C[C@@H](C[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000066854648 453881187 /nfs/dbraw/zinc/88/11/87/453881187.db2.gz WNWYTIOJHHJFJU-AWEZNQCLSA-N 1 0 327.384 3.269 20 5 EGBDRO C[NH+](C)CCCNc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000067949592 453983091 /nfs/dbraw/zinc/98/30/91/453983091.db2.gz CPWYTAIEHYEHQG-UHFFFAOYSA-N 1 0 327.384 3.189 20 5 EGBDRO Cc1ccc(C[N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)s1 ZINC000076342872 453991343 /nfs/dbraw/zinc/99/13/43/453991343.db2.gz XBXGRAFRJDIFBG-UHFFFAOYSA-N 1 0 333.413 3.425 20 5 EGBDRO COc1ccc(C[C@@](C)([NH3+])CNc2ccc(F)cc2[N+](=O)[O-])cc1 ZINC000084640721 454002772 /nfs/dbraw/zinc/00/27/72/454002772.db2.gz PNRMXEQHICUQHX-QGZVFWFLSA-N 1 0 333.363 3.115 20 5 EGBDRO C[NH+](C)C1(CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCCCC1 ZINC000068238201 454010330 /nfs/dbraw/zinc/01/03/30/454010330.db2.gz KJHSVYJEDPTLEJ-UHFFFAOYSA-N 1 0 339.823 3.243 20 5 EGBDRO CCCCNC(=O)C1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000085906741 454041558 /nfs/dbraw/zinc/04/15/58/454041558.db2.gz VAUUMAOGEQFQBJ-UHFFFAOYSA-N 1 0 333.432 3.304 20 5 EGBDRO C[C@H]1CCC[C@](CNC(=O)CCc2cccc([N+](=O)[O-])c2)([NH+](C)C)C1 ZINC000087167373 454066949 /nfs/dbraw/zinc/06/69/49/454066949.db2.gz YMRDGEJGQIKQTJ-KXBFYZLASA-N 1 0 347.459 3.154 20 5 EGBDRO C[NH+](C)CCN(C(=O)CCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000087209663 454069973 /nfs/dbraw/zinc/06/99/73/454069973.db2.gz VODJQJKOOVVNIL-UHFFFAOYSA-N 1 0 341.411 3.122 20 5 EGBDRO C[NH+](C)Cc1cccc(CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000043966537 454084648 /nfs/dbraw/zinc/08/46/48/454084648.db2.gz DFAXHPAAQRIRKT-UHFFFAOYSA-N 1 0 347.802 3.240 20 5 EGBDRO Cc1cnc(N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)c([N+](=O)[O-])c1 ZINC000266186047 455425406 /nfs/dbraw/zinc/42/54/06/455425406.db2.gz DZUGUEWVUDDJFY-HZPDHXFCSA-N 1 0 332.448 3.389 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000119850195 454227823 /nfs/dbraw/zinc/22/78/23/454227823.db2.gz MYTADVBXXPKCJJ-UHFFFAOYSA-N 1 0 348.447 3.454 20 5 EGBDRO C[C@@H]([NH2+][C@@H](C)C(=O)NCCc1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000071902522 454249250 /nfs/dbraw/zinc/24/92/50/454249250.db2.gz NJNFFEDDUDDCPF-OLZOCXBDSA-N 1 0 347.440 3.054 20 5 EGBDRO CCC[N@H+](C)C[C@@H]1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000078563632 454276255 /nfs/dbraw/zinc/27/62/55/454276255.db2.gz BRONDRGJLFUEKC-AWEZNQCLSA-N 1 0 328.416 3.311 20 5 EGBDRO Cc1cnc(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)c([N+](=O)[O-])c1 ZINC000078627995 454288901 /nfs/dbraw/zinc/28/89/01/454288901.db2.gz RHLXAAGPVLPZPW-UHFFFAOYSA-N 1 0 344.390 3.150 20 5 EGBDRO O=C(NC1CC[NH+](CC2CCCC2)CC1)c1csc([N+](=O)[O-])c1 ZINC000063272225 454401373 /nfs/dbraw/zinc/40/13/73/454401373.db2.gz NQZOQGYSCUWMSG-UHFFFAOYSA-N 1 0 337.445 3.041 20 5 EGBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H](c2ccccc2F)C2CCCC2)c1 ZINC000091399945 454432381 /nfs/dbraw/zinc/43/23/81/454432381.db2.gz RGEXJJCFVCLNIF-KRWDZBQOSA-N 1 0 332.379 3.452 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000048050864 454437439 /nfs/dbraw/zinc/43/74/39/454437439.db2.gz PGVLGWMYBNJNAE-ZDUSSCGKSA-N 1 0 334.420 3.147 20 5 EGBDRO CCc1nn(C)c(NC2CC[NH+](C3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000091731538 454463707 /nfs/dbraw/zinc/46/37/07/454463707.db2.gz YJDFQZQFHBSAQO-UHFFFAOYSA-N 1 0 335.452 3.100 20 5 EGBDRO COc1ccc(-c2ccc(C[NH2+][C@H](CO)CC(C)C)o2)c([N+](=O)[O-])c1 ZINC000102424175 454505093 /nfs/dbraw/zinc/50/50/93/454505093.db2.gz VJTYJUANUPYDAA-ZDUSSCGKSA-N 1 0 348.399 3.360 20 5 EGBDRO CC(C)c1ccc(C[NH+]2CCC(Cn3ccnn3)CC2)cc1[N+](=O)[O-] ZINC000092098437 454521318 /nfs/dbraw/zinc/52/13/18/454521318.db2.gz KISLTILSEOCPCH-UHFFFAOYSA-N 1 0 343.431 3.222 20 5 EGBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000080074056 454529339 /nfs/dbraw/zinc/52/93/39/454529339.db2.gz SPNYDMQOAWVRII-AWEZNQCLSA-N 1 0 348.447 3.004 20 5 EGBDRO O=[N+]([O-])c1cccc(Br)c1OCCC1CC[NH2+]CC1 ZINC000134495150 454551036 /nfs/dbraw/zinc/55/10/36/454551036.db2.gz MDSRPQYMBGVPQR-UHFFFAOYSA-N 1 0 329.194 3.126 20 5 EGBDRO O=[N+]([O-])c1ccc2ccnc(N3CC[NH+](Cc4ccccc4)CC3)c2c1 ZINC000074401179 454574617 /nfs/dbraw/zinc/57/46/17/454574617.db2.gz XTLXUFOZHQOWLS-UHFFFAOYSA-N 1 0 348.406 3.465 20 5 EGBDRO CCOC(=O)[C@H]1CC[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000134885344 454601789 /nfs/dbraw/zinc/60/17/89/454601789.db2.gz AQDUBCDAXRRPFW-QRTARXTBSA-N 1 0 334.416 3.095 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)C(C1CC1)C1CC1 ZINC000050989609 454603847 /nfs/dbraw/zinc/60/38/47/454603847.db2.gz ISIQOBKUKJWLNU-UHFFFAOYSA-N 1 0 331.416 3.352 20 5 EGBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000105159779 454626156 /nfs/dbraw/zinc/62/61/56/454626156.db2.gz FRFYMGVCQUDPAS-LSDHHAIUSA-N 1 0 348.447 3.075 20 5 EGBDRO C[NH+](C)[C@@H](CNc1nc2sccn2c1[N+](=O)[O-])c1ccc(F)cc1 ZINC000052486066 454676445 /nfs/dbraw/zinc/67/64/45/454676445.db2.gz WGBLFRBGGCIOLP-LBPRGKRZSA-N 1 0 349.391 3.158 20 5 EGBDRO Cc1cccc(OC[C@@H](O)C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000152886960 454737202 /nfs/dbraw/zinc/73/72/02/454737202.db2.gz IZBSVEHQQMMNSA-WBVHZDCISA-N 1 0 344.411 3.302 20 5 EGBDRO Cc1cccc(OC[C@@H](O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000152895789 454738195 /nfs/dbraw/zinc/73/81/95/454738195.db2.gz RTCGSCGUMJEEDE-CVEARBPZSA-N 1 0 344.411 3.302 20 5 EGBDRO CN(CCc1ccccn1)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000153064750 454757026 /nfs/dbraw/zinc/75/70/26/454757026.db2.gz OGAUGCVSPWMBEZ-UHFFFAOYSA-N 1 0 338.367 3.319 20 5 EGBDRO C[C@@H]1CCCC[C@H]1[NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000162328302 454767367 /nfs/dbraw/zinc/76/73/67/454767367.db2.gz YFGUYMAZEVNUNR-TZMCWYRMSA-N 1 0 333.388 3.061 20 5 EGBDRO C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C[C@@H]1n1ccnc1 ZINC000124796198 454770405 /nfs/dbraw/zinc/77/04/05/454770405.db2.gz YVTCIVRRAAPUSL-NHYWBVRUSA-N 1 0 348.790 3.168 20 5 EGBDRO Cc1ccc(C(=O)NCC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1F ZINC000124855915 454776904 /nfs/dbraw/zinc/77/69/04/454776904.db2.gz DFIMTCABXWDZFU-ZDUSSCGKSA-N 1 0 345.374 3.123 20 5 EGBDRO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)Cc1ccccn1 ZINC000125326840 454815292 /nfs/dbraw/zinc/81/52/92/454815292.db2.gz NJMRPEJRIALLCH-UHFFFAOYSA-N 1 0 342.399 3.149 20 5 EGBDRO C[NH+](C)C[C@H]1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000125517473 454829316 /nfs/dbraw/zinc/82/93/16/454829316.db2.gz SSFABCQSCWTRGZ-CQSZACIVSA-N 1 0 329.400 3.238 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@H](O)c1ccccc1)C1CC1 ZINC000153774354 454831575 /nfs/dbraw/zinc/83/15/75/454831575.db2.gz PUNCWNDVHGRPHJ-HKUYNNGSSA-N 1 0 326.396 3.239 20 5 EGBDRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1csc([N+](=O)[O-])c1 ZINC000143675787 454844716 /nfs/dbraw/zinc/84/47/16/454844716.db2.gz IWGUKGJENCIXEM-UHFFFAOYSA-N 1 0 345.424 3.051 20 5 EGBDRO COC(=O)C(C)(C)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000182231528 455466924 /nfs/dbraw/zinc/46/69/24/455466924.db2.gz FJCKKVXQWQMIIH-UHFFFAOYSA-N 1 0 332.356 3.144 20 5 EGBDRO CCC[C@H]([NH2+]CCN1CCC(OC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000163692888 454861322 /nfs/dbraw/zinc/86/13/22/454861322.db2.gz XBRVWDNTNPZFTD-SFHVURJKSA-N 1 0 335.448 3.136 20 5 EGBDRO Cc1c(C[NH+]2CCC(OC[C@H]3CCCO3)CC2)cccc1[N+](=O)[O-] ZINC000177459013 454866583 /nfs/dbraw/zinc/86/65/83/454866583.db2.gz UUDLLJAQVURIFW-QGZVFWFLSA-N 1 0 334.416 3.063 20 5 EGBDRO Cc1c(Br)c(NCC(C)(C)C[NH+](C)C)ncc1[N+](=O)[O-] ZINC000165711151 454903439 /nfs/dbraw/zinc/90/34/39/454903439.db2.gz XHTRRPQULZMVLO-UHFFFAOYSA-N 1 0 345.241 3.060 20 5 EGBDRO COC[C@@H]1CCC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000112988422 454909554 /nfs/dbraw/zinc/90/95/54/454909554.db2.gz KIOUMUWRVDKXPG-CQSZACIVSA-N 1 0 345.399 3.151 20 5 EGBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000113197226 454916852 /nfs/dbraw/zinc/91/68/52/454916852.db2.gz GUUSMQWGVUWYDB-ZDUSSCGKSA-N 1 0 339.823 3.243 20 5 EGBDRO CC[C@H]1CCCC[N@@H+]1CCNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000113247774 454918821 /nfs/dbraw/zinc/91/88/21/454918821.db2.gz LGFRAJKOHLCUMM-AWEZNQCLSA-N 1 0 346.431 3.156 20 5 EGBDRO CC[N@H+](CCNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CC1 ZINC000113332824 454923008 /nfs/dbraw/zinc/92/30/08/454923008.db2.gz RBGFHNWKQGBAIX-UHFFFAOYSA-N 1 0 346.456 3.292 20 5 EGBDRO COc1cccc2c1OC[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C2 ZINC000178653874 454966013 /nfs/dbraw/zinc/96/60/13/454966013.db2.gz HHYZTXYTSDDQKX-SWLSCSKDSA-N 1 0 328.368 3.258 20 5 EGBDRO CC(C)N(CC[NH+](C)C)C(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000151758990 455027108 /nfs/dbraw/zinc/02/71/08/455027108.db2.gz INIIUQUCYQITNJ-SOFGYWHQSA-N 1 0 339.823 3.060 20 5 EGBDRO Cc1occc1C[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000128353910 455048309 /nfs/dbraw/zinc/04/83/09/455048309.db2.gz MRUVSAYURTUIAJ-UHFFFAOYSA-N 1 0 335.335 3.096 20 5 EGBDRO CC(C)([NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC1CCCCC1 ZINC000129508557 455114655 /nfs/dbraw/zinc/11/46/55/455114655.db2.gz RIKUCMBYHWUNLV-UHFFFAOYSA-N 1 0 333.432 3.160 20 5 EGBDRO COC(=O)[C@H](C)CN(Cc1c(Cl)cccc1[N+](=O)[O-])C1CC1 ZINC000118948269 455116684 /nfs/dbraw/zinc/11/66/84/455116684.db2.gz GHHNLWQZASVBIK-SNVBAGLBSA-N 1 0 326.780 3.022 20 5 EGBDRO C[C@H]1CCCN1CC(=O)Nc1cc(N2CCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000157079286 455163867 /nfs/dbraw/zinc/16/38/67/455163867.db2.gz YLJJOOWGNYIBLT-KBPBESRZSA-N 1 0 346.431 3.006 20 5 EGBDRO C[C@@H]([NH2+]CC(=O)Nc1cc(F)ccc1F)c1cccc([N+](=O)[O-])c1 ZINC000180415889 455165821 /nfs/dbraw/zinc/16/58/21/455165821.db2.gz FJEKDGREYVSEPY-SNVBAGLBSA-N 1 0 335.310 3.162 20 5 EGBDRO Cc1ccc(OC[C@H](O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000180451781 455172490 /nfs/dbraw/zinc/17/24/90/455172490.db2.gz CSUNZHMZYPLCKZ-MAUKXSAKSA-N 1 0 344.411 3.302 20 5 EGBDRO C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)CC1(c2ccccc2)CC1 ZINC000189318346 455176212 /nfs/dbraw/zinc/17/62/12/455176212.db2.gz UVHIRXZBEOJUFY-SFHVURJKSA-N 1 0 326.396 3.292 20 5 EGBDRO CCOC(=O)N1CCC([C@H](C)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000189383410 455187955 /nfs/dbraw/zinc/18/79/55/455187955.db2.gz HMIDAPQILTZAHQ-AWEZNQCLSA-N 1 0 349.431 3.250 20 5 EGBDRO CC[C@@H]([NH2+]CCCOCC1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000157531506 455204588 /nfs/dbraw/zinc/20/45/88/455204588.db2.gz QSBZVJFEWWHOQF-GOSISDBHSA-N 1 0 336.432 3.469 20 5 EGBDRO CNC(=O)c1ccc(NCCCCC[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000264809543 455285689 /nfs/dbraw/zinc/28/56/89/455285689.db2.gz WBXZHGXLHIPHGQ-UHFFFAOYSA-N 1 0 348.447 3.023 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)N2[C@@H](C)CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000181830684 455386787 /nfs/dbraw/zinc/38/67/87/455386787.db2.gz NRAXCWCUWQCTKU-KKUMJFAQSA-N 1 0 333.432 3.343 20 5 EGBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCCC[N@@H+]1CC ZINC000184779132 455446520 /nfs/dbraw/zinc/44/65/20/455446520.db2.gz QHPRBMFDKDGHSG-FUHWJXTLSA-N 1 0 347.459 3.154 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1CCCC1(C)C ZINC000191867124 455526796 /nfs/dbraw/zinc/52/67/96/455526796.db2.gz LEMWGKRKPZONOP-OAHLLOKOSA-N 1 0 335.404 3.100 20 5 EGBDRO C[C@@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CCCCC1 ZINC000182688154 455568933 /nfs/dbraw/zinc/56/89/33/455568933.db2.gz HXCGQDDVLMUEHU-CYBMUJFWSA-N 1 0 331.416 3.042 20 5 EGBDRO C[C@H]1CN(c2ccc([N+](=O)[O-])c3cnccc32)CC[N@@H+](C2CCC2)C1 ZINC000292353562 455637928 /nfs/dbraw/zinc/63/79/28/455637928.db2.gz QXPVMZHRNKADHG-CQSZACIVSA-N 1 0 340.427 3.454 20 5 EGBDRO Cc1c([C@H](C)[NH2+][C@@H](CO)C[C@@H](O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000271465077 455647143 /nfs/dbraw/zinc/64/71/43/455647143.db2.gz GQGQFCYUOATSLJ-ZSZQSSIHSA-N 1 0 344.411 3.038 20 5 EGBDRO COc1ccc(NC(=O)C[N@H+](C)[C@H]2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000192622798 455655433 /nfs/dbraw/zinc/65/54/33/455655433.db2.gz PLQGTCRBDGPDKG-DOMZBBRYSA-N 1 0 335.404 3.052 20 5 EGBDRO CN(CCC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)CC(F)(F)F ZINC000192673098 455665416 /nfs/dbraw/zinc/66/54/16/455665416.db2.gz KQHDEECNMCYQTF-HNNXBMFYSA-N 1 0 345.365 3.446 20 5 EGBDRO CCC[C@@H]1CN([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCO1 ZINC000247988658 455666542 /nfs/dbraw/zinc/66/65/42/455666542.db2.gz IUTZKBUEMDWUOD-IUODEOHRSA-N 1 0 346.387 3.207 20 5 EGBDRO CC(C)[C@H]1C[C@@H]([NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)CCO1 ZINC000271607684 455698845 /nfs/dbraw/zinc/69/88/45/455698845.db2.gz WLXGLUZFUSGNGX-UKPHBRMFSA-N 1 0 349.431 3.105 20 5 EGBDRO Cc1nccn1C[C@H](C)C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192824190 455700835 /nfs/dbraw/zinc/70/08/35/455700835.db2.gz ZWNAGBAZERFJFB-FZKQIMNGSA-N 1 0 328.416 3.403 20 5 EGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@](C)(O)c1ccccc1 ZINC000268923100 455732269 /nfs/dbraw/zinc/73/22/69/455732269.db2.gz XJFWHHRAYNUXDP-DNVCBOLYSA-N 1 0 328.412 3.413 20 5 EGBDRO O=[N+]([O-])c1ccc(OCCC[NH+]2CCC3(CCOCC3)CC2)cc1 ZINC000284868655 455755265 /nfs/dbraw/zinc/75/52/65/455755265.db2.gz VBFUOBLNAAWUBP-UHFFFAOYSA-N 1 0 334.416 3.256 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000270134268 455885179 /nfs/dbraw/zinc/88/51/79/455885179.db2.gz OIKBUOTZUUPUAQ-HNNXBMFYSA-N 1 0 346.431 3.099 20 5 EGBDRO CC(C)c1ccc(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000285762820 455910826 /nfs/dbraw/zinc/91/08/26/455910826.db2.gz KOVNJNLNNXLLPP-HOCLYGCPSA-N 1 0 345.443 3.417 20 5 EGBDRO COc1ccc(OC)c([C@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000195195521 455931516 /nfs/dbraw/zinc/93/15/16/455931516.db2.gz HNLQRIRDILLVGC-ZDUSSCGKSA-N 1 0 346.383 3.342 20 5 EGBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCC2(CC[NH2+]C2)CC1 ZINC000261786319 455947355 /nfs/dbraw/zinc/94/73/55/455947355.db2.gz LOSXJFZXCHYQDW-UHFFFAOYSA-N 1 0 345.424 3.025 20 5 EGBDRO CO[C@@]1(C)CCC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000280338846 455951190 /nfs/dbraw/zinc/95/11/90/455951190.db2.gz IFRWOQJEUJJYFY-KRWDZBQOSA-N 1 0 346.387 3.036 20 5 EGBDRO Cn1ccnc1[C@H]([NH2+]CC1CCSCC1)c1ccc([N+](=O)[O-])cc1 ZINC000272547123 455989645 /nfs/dbraw/zinc/98/96/45/455989645.db2.gz QLXQQKQOWBVVCW-MRXNPFEDSA-N 1 0 346.456 3.151 20 5 EGBDRO CC(=O)c1cc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)ccc1[N+](=O)[O-] ZINC000286195424 455998627 /nfs/dbraw/zinc/99/86/27/455998627.db2.gz LXXGXGZWZDNEDH-KSSFIOAISA-N 1 0 343.427 3.251 20 5 EGBDRO CC1CC[NH+](C[C@H]2CCCN(c3ccc(N)cc3[N+](=O)[O-])C2)CC1 ZINC000286229471 456004984 /nfs/dbraw/zinc/00/49/84/456004984.db2.gz LRDOEEUGRLGQRI-OAHLLOKOSA-N 1 0 332.448 3.125 20 5 EGBDRO CSc1ccccc1C[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000280590782 456007898 /nfs/dbraw/zinc/00/78/98/456007898.db2.gz WPAKYJZWGWZCON-INIZCTEOSA-N 1 0 332.425 3.482 20 5 EGBDRO C[C@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1nnnn1C1CCCCC1 ZINC000296768769 456032995 /nfs/dbraw/zinc/03/29/95/456032995.db2.gz RDSDKGGHBFZMNK-STQMWFEESA-N 1 0 344.419 3.498 20 5 EGBDRO C[C@H](CNc1ccc([N+](=O)[O-])cc1Br)[N@H+](C)C1CC1 ZINC000220098970 456037659 /nfs/dbraw/zinc/03/76/59/456037659.db2.gz QSRGVVQYVXHYKY-SECBINFHSA-N 1 0 328.210 3.252 20 5 EGBDRO C[C@H]([NH2+]C[C@@H]1CN(c2ccccc2)C(=O)O1)c1ccc([N+](=O)[O-])cc1 ZINC000296864712 456055569 /nfs/dbraw/zinc/05/55/69/456055569.db2.gz ZCKRDQJSTSVJBB-SUMWQHHRSA-N 1 0 341.367 3.271 20 5 EGBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](C[C@@H]3CCOC3)CC2)c(Cl)c1 ZINC000301267454 456075738 /nfs/dbraw/zinc/07/57/38/456075738.db2.gz IGYCGMIHRLTNQD-LBPRGKRZSA-N 1 0 339.823 3.161 20 5 EGBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](CC[C@H]3CCCCO3)CC2)cc1 ZINC000332541667 456088139 /nfs/dbraw/zinc/08/81/39/456088139.db2.gz XHKGMKXYXIMMEX-MRXNPFEDSA-N 1 0 334.416 3.397 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CC3CC3)CC2)cc1C(F)(F)F ZINC000301367956 456100670 /nfs/dbraw/zinc/10/06/70/456100670.db2.gz RDYXWGSZNOVNTL-UHFFFAOYSA-N 1 0 329.322 3.146 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]([NH+]3CCCC3)C2)c(Br)c1 ZINC000301431566 456113173 /nfs/dbraw/zinc/11/31/73/456113173.db2.gz VROJULUKKODEFP-GFCCVEGCSA-N 1 0 340.221 3.032 20 5 EGBDRO COC(=O)C1(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000188688091 456113647 /nfs/dbraw/zinc/11/36/47/456113647.db2.gz CLEQYTRDWNHBEI-UHFFFAOYSA-N 1 0 346.408 3.366 20 5 EGBDRO CC[C@@H](CCO)C[NH2+][C@@H](CC)CSc1ccccc1[N+](=O)[O-] ZINC000271071829 456118345 /nfs/dbraw/zinc/11/83/45/456118345.db2.gz FKHSQNSKLUHRKR-KBPBESRZSA-N 1 0 326.462 3.464 20 5 EGBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000281078375 456128504 /nfs/dbraw/zinc/12/85/04/456128504.db2.gz JBPGDBUHTUMVKW-NWDGAFQWSA-N 1 0 341.358 3.337 20 5 EGBDRO C[NH+](C)C1(CNc2c(Br)cncc2[N+](=O)[O-])CCCC1 ZINC000231628919 456143162 /nfs/dbraw/zinc/14/31/62/456143162.db2.gz RRHRKIPEUAQLKG-UHFFFAOYSA-N 1 0 343.225 3.039 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](C)C[NH+]1CCCCCC1 ZINC000188856207 456152748 /nfs/dbraw/zinc/15/27/48/456152748.db2.gz LOLDYDQOKSOQAD-CQSZACIVSA-N 1 0 334.420 3.289 20 5 EGBDRO Cc1ccc(C[C@@H](CO)[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])cc1 ZINC000188967551 456185740 /nfs/dbraw/zinc/18/57/40/456185740.db2.gz RPRJWSGAEDZTTM-JXTAAOLFSA-N 1 0 326.396 3.110 20 5 EGBDRO C[NH+](C)[C@@H](CNc1ncc(Cl)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000301727408 456199011 /nfs/dbraw/zinc/19/90/11/456199011.db2.gz BGBRINVEZXRWQD-AWEZNQCLSA-N 1 0 338.770 3.497 20 5 EGBDRO COCCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])c3cnccc23)CC1 ZINC000263767075 456217451 /nfs/dbraw/zinc/21/74/51/456217451.db2.gz JDKXENZTABTPKW-UHFFFAOYSA-N 1 0 344.415 3.056 20 5 EGBDRO CCC[C@@H]1CN(c2ncccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000302004302 456267989 /nfs/dbraw/zinc/26/79/89/456267989.db2.gz KEKYIWSSHJVUAI-QGZVFWFLSA-N 1 0 340.427 3.481 20 5 EGBDRO CC1CC[NH+](Cc2ccccc2CNc2ncc([N+](=O)[O-])cn2)CC1 ZINC000302154471 456301957 /nfs/dbraw/zinc/30/19/57/456301957.db2.gz LXAPITVCQVIEKI-UHFFFAOYSA-N 1 0 341.415 3.229 20 5 EGBDRO CCOc1cccc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000302167974 456304804 /nfs/dbraw/zinc/30/48/04/456304804.db2.gz SGSAVKDGIFCEBU-GOEBONIOSA-N 1 0 345.443 3.447 20 5 EGBDRO CC(C)c1ccc(C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000275911298 456347540 /nfs/dbraw/zinc/34/75/40/456347540.db2.gz WENIQQHYWRGXRD-INIZCTEOSA-N 1 0 345.443 3.419 20 5 EGBDRO CCOCCOCC[N@H+](C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000276116369 456391812 /nfs/dbraw/zinc/39/18/12/456391812.db2.gz ARLVIBRWRRYPGQ-UHFFFAOYSA-N 1 0 348.399 3.340 20 5 EGBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1N[C@H](C)[C@H](C)N1CCOCC1 ZINC000302810502 456407135 /nfs/dbraw/zinc/40/71/35/456407135.db2.gz GXPZIFUKTJGBTH-NEPJUHHUSA-N 1 0 327.812 3.078 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1N[C@H]1CC[N@H+](CC3CCCC3)C1)CCN2 ZINC000302882950 456426524 /nfs/dbraw/zinc/42/65/24/456426524.db2.gz KKWCEVKPFVMXTN-AWEZNQCLSA-N 1 0 330.432 3.239 20 5 EGBDRO C[C@@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@H]1CCCOC1 ZINC000348135584 456507208 /nfs/dbraw/zinc/50/72/08/456507208.db2.gz JPHCLNOSPVDCJG-HIFRSBDPSA-N 1 0 345.399 3.197 20 5 EGBDRO CCN(Cc1cccc([N+](=O)[O-])c1)[C@H]1CCN(c2ccccc2)C1=O ZINC000343293550 456512939 /nfs/dbraw/zinc/51/29/39/456512939.db2.gz GSXHXBSEXGCWDQ-SFHVURJKSA-N 1 0 339.395 3.222 20 5 EGBDRO CCC[N@H+](C)C[C@@H]1CCN(c2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000276630830 456537506 /nfs/dbraw/zinc/53/75/06/456537506.db2.gz ODBCOUREUOJXMH-AWEZNQCLSA-N 1 0 328.416 3.311 20 5 EGBDRO C[N@@H+]1CCC[C@H]2CN(c3nc4ccccc4cc3[N+](=O)[O-])CC[C@H]21 ZINC000276646945 456541043 /nfs/dbraw/zinc/54/10/43/456541043.db2.gz QEJZNLGGWLZAJY-GOEBONIOSA-N 1 0 326.400 3.064 20 5 EGBDRO C[N@@H+]1CCC[C@H]2CN(c3nc4ccccc4cc3[N+](=O)[O-])CC[C@@H]21 ZINC000276646946 456541474 /nfs/dbraw/zinc/54/14/74/456541474.db2.gz QEJZNLGGWLZAJY-HOCLYGCPSA-N 1 0 326.400 3.064 20 5 EGBDRO C[C@@H]([NH2+]Cc1ccccc1Cn1cncn1)c1ccc([N+](=O)[O-])cc1 ZINC000337806229 456558903 /nfs/dbraw/zinc/55/89/03/456558903.db2.gz HVHQACPMVXFSCT-CQSZACIVSA-N 1 0 337.383 3.085 20 5 EGBDRO COc1cccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000298879501 456561460 /nfs/dbraw/zinc/56/14/60/456561460.db2.gz NMUYWURZMIWSSM-QWHCGFSZSA-N 1 0 343.383 3.281 20 5 EGBDRO C[C@@]1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)OCCc2sccc21 ZINC000353228947 456574692 /nfs/dbraw/zinc/57/46/92/456574692.db2.gz QIGUFRCGSATAHC-INIZCTEOSA-N 1 0 336.388 3.373 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CC[C@@H](n4cccn4)C3)o2)c1 ZINC000291351730 456615196 /nfs/dbraw/zinc/61/51/96/456615196.db2.gz XGUZFKCHFSWGHO-MRXNPFEDSA-N 1 0 338.367 3.498 20 5 EGBDRO COCC(C)(C)CCC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000348314915 456616106 /nfs/dbraw/zinc/61/61/06/456616106.db2.gz HVNDUURTIGYMCW-LSDHHAIUSA-N 1 0 338.452 3.317 20 5 EGBDRO CCOc1cc(CN2CC[C@H](C[NH+](CC)CC)C2)ccc1[N+](=O)[O-] ZINC000276989155 456642415 /nfs/dbraw/zinc/64/24/15/456642415.db2.gz ZQIIQLMPMHUVOP-MRXNPFEDSA-N 1 0 335.448 3.157 20 5 EGBDRO C[NH+](C)CC(C)(C)CNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000291454956 456647024 /nfs/dbraw/zinc/64/70/24/456647024.db2.gz MPZBBOABAFGNOM-UHFFFAOYSA-N 1 0 348.230 3.219 20 5 EGBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1cccc(-n2ccnn2)c1 ZINC000348372816 456654078 /nfs/dbraw/zinc/65/40/78/456654078.db2.gz FZNWISLOWXEWKM-AWEZNQCLSA-N 1 0 337.383 3.069 20 5 EGBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000323687792 456655758 /nfs/dbraw/zinc/65/57/58/456655758.db2.gz IMPJEQVZBXVTKB-ONGXEEELSA-N 1 0 330.310 3.047 20 5 EGBDRO C[C@@H](CNc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-])[NH+](C)C ZINC000340782567 456682762 /nfs/dbraw/zinc/68/27/62/456682762.db2.gz RADHNMMFCCRVDA-ZDUSSCGKSA-N 1 0 327.384 3.188 20 5 EGBDRO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H]3CCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000299428112 456691099 /nfs/dbraw/zinc/69/10/99/456691099.db2.gz XKKBHAMBALYZIF-BBRMVZONSA-N 1 0 347.415 3.197 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](CCC[NH3+])c2ccccc2)c1 ZINC000326645493 456696425 /nfs/dbraw/zinc/69/64/25/456696425.db2.gz YSHWVBREGSHGFB-INIZCTEOSA-N 1 0 327.384 3.113 20 5 EGBDRO CC(C)n1cnnc1[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000283088621 456708437 /nfs/dbraw/zinc/70/84/37/456708437.db2.gz LCWXSGTXMWPWLP-CQSZACIVSA-N 1 0 347.394 3.286 20 5 EGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)cc1F ZINC000283272423 456750109 /nfs/dbraw/zinc/75/01/09/456750109.db2.gz WSGHOQBZVLGEOC-CYBMUJFWSA-N 1 0 345.378 3.109 20 5 EGBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccccc1-n1ccnn1 ZINC000353616601 456806725 /nfs/dbraw/zinc/80/67/25/456806725.db2.gz BQPXFSJTOFKSST-CQSZACIVSA-N 1 0 337.383 3.069 20 5 EGBDRO Cc1ccoc1CN(C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000292087683 456851102 /nfs/dbraw/zinc/85/11/02/456851102.db2.gz FDEQKSUWVFVAEL-UHFFFAOYSA-N 1 0 328.328 3.178 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@]1(N(C)C)CCSC1 ZINC000345043588 456907957 /nfs/dbraw/zinc/90/79/57/456907957.db2.gz IXXBOIYSDXMWJV-CRPZLVSXSA-N 1 0 335.473 3.025 20 5 EGBDRO C[C@@H]1[C@H](C)N(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC[N@H+]1C ZINC000339064486 456923785 /nfs/dbraw/zinc/92/37/85/456923785.db2.gz HXXYWAKKHNGAPA-MNOVXSKESA-N 1 0 331.338 3.138 20 5 EGBDRO CN(CC[N@H+](C)C1CC1)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000349386321 456961077 /nfs/dbraw/zinc/96/10/77/456961077.db2.gz RQYDSNCIWOSMSC-UHFFFAOYSA-N 1 0 329.400 3.381 20 5 EGBDRO CC[N@@H+]1CCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)[C@@H](C)C1 ZINC000339192952 456985926 /nfs/dbraw/zinc/98/59/26/456985926.db2.gz ZJVOJGWIFQDRKW-NSHDSACASA-N 1 0 331.338 3.140 20 5 EGBDRO C[C@]1(O)CC[N@H+](Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000354026229 457018528 /nfs/dbraw/zinc/01/85/28/457018528.db2.gz PRDMFTXSQVDWPC-SFHVURJKSA-N 1 0 346.358 3.483 20 5 EGBDRO COc1ccc(C[NH2+]Cc2ccc(OC)c(OC)c2C)cc1[N+](=O)[O-] ZINC000342019321 457061926 /nfs/dbraw/zinc/06/19/26/457061926.db2.gz GXKIWBAQERXLAD-UHFFFAOYSA-N 1 0 346.383 3.219 20 5 EGBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H](c1cccc(F)c1)C1CCCC1 ZINC000342245152 457188947 /nfs/dbraw/zinc/18/89/47/457188947.db2.gz PRZMEZCKDYSCKS-MRXNPFEDSA-N 1 0 332.379 3.489 20 5 EGBDRO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](CC3CC3)C2)cccc1[N+](=O)[O-] ZINC000339686565 457213293 /nfs/dbraw/zinc/21/32/93/457213293.db2.gz NRGCTESAXKPDMU-UKRRQHHQSA-N 1 0 331.416 3.352 20 5 EGBDRO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](CC3CC3)C2)cccc1[N+](=O)[O-] ZINC000339686555 457213335 /nfs/dbraw/zinc/21/33/35/457213335.db2.gz NRGCTESAXKPDMU-HIFRSBDPSA-N 1 0 331.416 3.352 20 5 EGBDRO COc1nc(C)cc(C)c1C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000347174117 457270889 /nfs/dbraw/zinc/27/08/89/457270889.db2.gz BVDBJFJADJPVOP-UHFFFAOYSA-N 1 0 329.400 3.290 20 5 EGBDRO C[C@H]([NH2+][C@H](CC(=O)N(C)C)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000360580491 457320633 /nfs/dbraw/zinc/32/06/33/457320633.db2.gz MOFGCWMKIZSBCL-KBXCAEBGSA-N 1 0 341.411 3.465 20 5 EGBDRO O=C(NCCCCC[NH+]1CCCC1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000357107839 457326094 /nfs/dbraw/zinc/32/60/94/457326094.db2.gz DLXQRVJAEIAOEY-UHFFFAOYSA-N 1 0 339.823 3.244 20 5 EGBDRO Cn1nccc1[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000332343494 457353653 /nfs/dbraw/zinc/35/36/53/457353653.db2.gz PHRCCONOJFHCEH-CYBMUJFWSA-N 1 0 334.807 3.361 20 5 EGBDRO CC(C)(C)c1ccc(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000373933489 457408463 /nfs/dbraw/zinc/40/84/63/457408463.db2.gz MHNITTOHYDDQGI-LSDHHAIUSA-N 1 0 345.443 3.249 20 5 EGBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000363937178 457464179 /nfs/dbraw/zinc/46/41/79/457464179.db2.gz JLPXSOBJZGBPNR-QWHCGFSZSA-N 1 0 345.424 3.166 20 5 EGBDRO COc1ccc([C@H](OC)[C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000357350542 457466252 /nfs/dbraw/zinc/46/62/52/457466252.db2.gz JRASOBSAXRXXEF-FZKQIMNGSA-N 1 0 330.384 3.469 20 5 EGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC(=O)Nc1cccc(F)c1 ZINC000425382455 457529318 /nfs/dbraw/zinc/52/93/18/457529318.db2.gz NYUUZTKPNPICQX-CYBMUJFWSA-N 1 0 345.374 3.283 20 5 EGBDRO CCn1c(C)nc([N+](=O)[O-])c1NCc1cccc(-c2ncc[nH]2)c1 ZINC000361040961 457535283 /nfs/dbraw/zinc/53/52/83/457535283.db2.gz BKCMFEKBNOQLNM-UHFFFAOYSA-N 1 0 326.360 3.122 20 5 EGBDRO Cc1ccc(CNc2cccc(C[N@@H+]3CC[C@H](O)C3)c2)cc1[N+](=O)[O-] ZINC000361082923 457572345 /nfs/dbraw/zinc/57/23/45/457572345.db2.gz OQBUOCQJQSTFMH-SFHVURJKSA-N 1 0 341.411 3.082 20 5 EGBDRO CCc1cnccc1[C@@H](C)[NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000361134612 457604540 /nfs/dbraw/zinc/60/45/40/457604540.db2.gz HJMXDGGBSGVYHF-CHWSQXEVSA-N 1 0 342.399 3.230 20 5 EGBDRO Cc1c([C@@H](C)[NH2+][C@@H]2CC(=O)N(c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000357798066 457693986 /nfs/dbraw/zinc/69/39/86/457693986.db2.gz SIZXCICHFLJMAC-HUUCEWRRSA-N 1 0 339.395 3.359 20 5 EGBDRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1ccc([N+](=O)[O-])s1)[NH+](C)C ZINC000357845392 457709563 /nfs/dbraw/zinc/70/95/63/457709563.db2.gz CQCMJGXJLADJNO-WBMJQRKESA-N 1 0 347.440 3.386 20 5 EGBDRO Cc1c([C@@H](C)[NH2+]Cc2ccc(OCCO)cc2)cccc1[N+](=O)[O-] ZINC000358026231 457744216 /nfs/dbraw/zinc/74/42/16/457744216.db2.gz PXGKOECQRSYIIH-CQSZACIVSA-N 1 0 330.384 3.125 20 5 EGBDRO CC1(C)C[C@@H]([NH2+]CCCOC[C@@H]2CCOC2)c2cc([N+](=O)[O-])ccc21 ZINC000433267571 457796257 /nfs/dbraw/zinc/79/62/57/457796257.db2.gz GIAZSNJUUJVKHH-KBXCAEBGSA-N 1 0 348.443 3.350 20 5 EGBDRO C[C@@H](CCN1CCOCC1)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433281108 457797438 /nfs/dbraw/zinc/79/74/38/457797438.db2.gz HJDXZADDTWBSKU-KSSFIOAISA-N 1 0 347.459 3.018 20 5 EGBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000443650317 457798175 /nfs/dbraw/zinc/79/81/75/457798175.db2.gz IGMZPOPAFVFHAR-KGLIPLIRSA-N 1 0 349.431 3.300 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+](CCO)Cc1cccc(F)c1 ZINC000426382221 457818020 /nfs/dbraw/zinc/81/80/20/457818020.db2.gz PZVWRYUNBYNKML-QPJJXVBHSA-N 1 0 330.359 3.242 20 5 EGBDRO COc1ccc(NC(=O)CC[N@H+](CC(C)C)C(C)C)c([N+](=O)[O-])c1 ZINC000411172849 457819767 /nfs/dbraw/zinc/81/97/67/457819767.db2.gz JKLXODFCKDLAIQ-UHFFFAOYSA-N 1 0 337.420 3.298 20 5 EGBDRO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000411313512 457856947 /nfs/dbraw/zinc/85/69/47/457856947.db2.gz QBXJOMIUSHERLM-STQMWFEESA-N 1 0 335.404 3.052 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000366647560 457874613 /nfs/dbraw/zinc/87/46/13/457874613.db2.gz SUYCBGMYWKZZKA-GOEBONIOSA-N 1 0 346.383 3.285 20 5 EGBDRO C[C@@H]([NH2+]CCC(=O)NCC1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000411462231 457894803 /nfs/dbraw/zinc/89/48/03/457894803.db2.gz UFLZZTGYNVXVSH-CQSZACIVSA-N 1 0 333.432 3.332 20 5 EGBDRO CC[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CCCC[C@@H]1C ZINC000444660230 457930560 /nfs/dbraw/zinc/93/05/60/457930560.db2.gz FTGYEEJGTVTKCN-JYJNAYRXSA-N 1 0 336.432 3.235 20 5 EGBDRO CC[C@@H]1CCCC[C@@H]1[N@H+](C)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000444666639 457932453 /nfs/dbraw/zinc/93/24/53/457932453.db2.gz AGYUHELLDHKZLZ-CJNGLKHVSA-N 1 0 349.431 3.443 20 5 EGBDRO CC[C@@H]1CCCC[C@H]1[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000444667062 457932524 /nfs/dbraw/zinc/93/25/24/457932524.db2.gz XZGQXMMNWITMFA-CZUORRHYSA-N 1 0 349.431 3.443 20 5 EGBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000411975340 458028875 /nfs/dbraw/zinc/02/88/75/458028875.db2.gz BNGNCFVMSFLCPG-OAHLLOKOSA-N 1 0 326.400 3.098 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000375883913 458107684 /nfs/dbraw/zinc/10/76/84/458107684.db2.gz UIUJEGSYHMTBMJ-UHFFFAOYSA-N 1 0 330.388 3.096 20 5 EGBDRO [NH3+]C1(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CCCCC1 ZINC000428475793 458154202 /nfs/dbraw/zinc/15/42/02/458154202.db2.gz ATXYQDSQGXGQET-UHFFFAOYSA-N 1 0 333.413 3.201 20 5 EGBDRO C[NH+](C)[C@H]1CCCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000369362933 458188875 /nfs/dbraw/zinc/18/88/75/458188875.db2.gz NYWAHZIEJBMSAZ-LBPRGKRZSA-N 1 0 342.237 3.278 20 5 EGBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)nc1 ZINC000428675604 458190325 /nfs/dbraw/zinc/19/03/25/458190325.db2.gz WICAJXLSEVUQNC-MRXNPFEDSA-N 1 0 344.440 3.019 20 5 EGBDRO CCOc1ccccc1C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447529325 458305198 /nfs/dbraw/zinc/30/51/98/458305198.db2.gz LQXGOZJEFGZFBM-HOTGVXAUSA-N 1 0 344.415 3.464 20 5 EGBDRO CN(Cc1cn2c(n1)CCCC2)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000372993765 458369892 /nfs/dbraw/zinc/36/98/92/458369892.db2.gz WEDIEWSEGRGXEK-UHFFFAOYSA-N 1 0 334.807 3.413 20 5 EGBDRO Cn1nccc1[C@@H]1CCC[C@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)C1 ZINC000448025478 458379955 /nfs/dbraw/zinc/37/99/55/458379955.db2.gz DJAVIVGEIZQTBX-CVEARBPZSA-N 1 0 328.416 3.187 20 5 EGBDRO COCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1OC)C[C@@H]1CC=CCC1 ZINC000430244938 458427077 /nfs/dbraw/zinc/42/70/77/458427077.db2.gz RFGMPUVGYIXUKG-OAHLLOKOSA-N 1 0 334.416 3.408 20 5 EGBDRO COc1ccc(C[NH2+]CCF)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000437261003 458440050 /nfs/dbraw/zinc/44/00/50/458440050.db2.gz VFTWKLNOUIYFIO-UHFFFAOYSA-N 1 0 334.347 3.242 20 5 EGBDRO CCc1ccccc1[C@@H](N)C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000423517125 458448883 /nfs/dbraw/zinc/44/88/83/458448883.db2.gz YORNETTVBMTEKO-KDOFPFPSSA-N 1 0 327.428 3.378 20 5 EGBDRO CC(C)c1ccc(C[C@H]2CC[N@H+](CCn3ccc([N+](=O)[O-])n3)C2)cc1 ZINC000460977181 458543814 /nfs/dbraw/zinc/54/38/14/458543814.db2.gz KRASEHBWNZXJNE-QGZVFWFLSA-N 1 0 342.443 3.479 20 5 EGBDRO [NH3+]C1(c2noc([C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)n2)CCCCC1 ZINC000424349027 458623742 /nfs/dbraw/zinc/62/37/42/458623742.db2.gz QEFVAGNQOMDHDD-UONOGXRCSA-N 1 0 328.372 3.367 20 5 EGBDRO CC1(c2ccc(Cl)cc2)CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000470865322 458656919 /nfs/dbraw/zinc/65/69/19/458656919.db2.gz FSTDOZRJTFDDLW-UHFFFAOYSA-N 1 0 348.834 3.498 20 5 EGBDRO C[C@@H]1C[N@H+](C)CC[C@H]1NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000494491056 458688038 /nfs/dbraw/zinc/68/80/38/458688038.db2.gz ZLPNKNZEFQTRQW-QMTHXVAHSA-N 1 0 331.338 3.043 20 5 EGBDRO CCc1ccc(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000471286762 458688126 /nfs/dbraw/zinc/68/81/26/458688126.db2.gz LDFWFVVEAJGRKL-SFHVURJKSA-N 1 0 341.411 3.190 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000463960926 458725724 /nfs/dbraw/zinc/72/57/24/458725724.db2.gz YOFDTQXZDXSQGG-SWLSCSKDSA-N 1 0 348.447 3.454 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](CO)Cc1ccco1 ZINC000530341886 458751977 /nfs/dbraw/zinc/75/19/77/458751977.db2.gz WATITCQQYAQONB-VCHSTOLQSA-N 1 0 330.384 3.032 20 5 EGBDRO C[NH+](C)[C@H](CNc1nc2ccccc2cc1[N+](=O)[O-])c1cccs1 ZINC000473513430 458832449 /nfs/dbraw/zinc/83/24/49/458832449.db2.gz NIPLWBQQCFKEEU-OAHLLOKOSA-N 1 0 342.424 3.341 20 5 EGBDRO Cc1cc(NC(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000473768467 458842847 /nfs/dbraw/zinc/84/28/47/458842847.db2.gz KMAZAURCEDUESP-INIZCTEOSA-N 1 0 346.431 3.289 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C1CC1)C(C)(C)CO ZINC000555735805 458908233 /nfs/dbraw/zinc/90/82/33/458908233.db2.gz XDJHCENRHKSWEG-QGZVFWFLSA-N 1 0 336.432 3.269 20 5 EGBDRO C[NH2+]Cc1cccc(NC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)c1 ZINC000457364384 458932385 /nfs/dbraw/zinc/93/23/85/458932385.db2.gz ZVNNMBSRZIMTGS-UHFFFAOYSA-N 1 0 327.384 3.492 20 5 EGBDRO C[C@@H](C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000566774421 458997263 /nfs/dbraw/zinc/99/72/63/458997263.db2.gz GOBDGPOOCQRYHC-BZUAXINKSA-N 1 0 347.459 3.183 20 5 EGBDRO Cc1ccc(C[NH2+]CCN2c3ccccc3C[C@H]2C)cc1[N+](=O)[O-] ZINC000520221214 459040821 /nfs/dbraw/zinc/04/08/21/459040821.db2.gz YTYWYBAVTQLWJM-OAHLLOKOSA-N 1 0 325.412 3.444 20 5 EGBDRO COc1ccc(OCC[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000594489542 459057449 /nfs/dbraw/zinc/05/74/49/459057449.db2.gz BTAHDCKHQRZXCT-QGZVFWFLSA-N 1 0 328.368 3.259 20 5 EGBDRO C[C@H](c1ccccc1)[C@@H](CO)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594498238 459062578 /nfs/dbraw/zinc/06/25/78/459062578.db2.gz ICFHUSFKVKDNOB-JEBQAFNWSA-N 1 0 326.396 3.336 20 5 EGBDRO CCCOc1ccc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])cc1 ZINC000567200806 459063023 /nfs/dbraw/zinc/06/30/23/459063023.db2.gz XCLPZGOHSPZTPT-UHFFFAOYSA-N 1 0 329.400 3.349 20 5 EGBDRO O=C1[C@@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CCN1C1CCCCC1 ZINC000594500397 459063463 /nfs/dbraw/zinc/06/34/63/459063463.db2.gz SIVXWHSDIATYSQ-SJORKVTESA-N 1 0 343.427 3.105 20 5 EGBDRO CC(C)[C@H](C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccnn1C ZINC000594499805 459063943 /nfs/dbraw/zinc/06/39/43/459063943.db2.gz KHJFAJOYUHNLTL-HOTGVXAUSA-N 1 0 328.416 3.345 20 5 EGBDRO COc1ccc2c(c1)OC[C@H]([NH2+][C@H]1CCc3c1cccc3[N+](=O)[O-])C2 ZINC000594500070 459063972 /nfs/dbraw/zinc/06/39/72/459063972.db2.gz HBKDLFRXNNIGGY-DYVFJYSZSA-N 1 0 340.379 3.184 20 5 EGBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH+]1CCC(C2CC2)CC1 ZINC000590006897 459065904 /nfs/dbraw/zinc/06/59/04/459065904.db2.gz YJSWVWXBBUAKTD-UHFFFAOYSA-N 1 0 345.399 3.015 20 5 EGBDRO Cc1ccc([C@H]2CCC[C@@H]2[N@H+](C)CCn2ccc([N+](=O)[O-])n2)cc1 ZINC000478035048 459072912 /nfs/dbraw/zinc/07/29/12/459072912.db2.gz LUMJOCLFQDXXLR-SJORKVTESA-N 1 0 328.416 3.368 20 5 EGBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000532698777 459131101 /nfs/dbraw/zinc/13/11/01/459131101.db2.gz JWGRDQQTIZYUQL-JTDSTZFVSA-N 1 0 331.460 3.475 20 5 EGBDRO Cc1ccc(C[NH2+]C(C)(C)C(=O)NCC2CCCCC2)cc1[N+](=O)[O-] ZINC000532702967 459131140 /nfs/dbraw/zinc/13/11/40/459131140.db2.gz GIRJMDXHGFGUSS-UHFFFAOYSA-N 1 0 347.459 3.468 20 5 EGBDRO COc1ccc(-c2ccc(CN(C)CC(C)(C)[NH3+])o2)c([N+](=O)[O-])c1 ZINC000594736553 459145812 /nfs/dbraw/zinc/14/58/12/459145812.db2.gz ROEFVQBZVRUOHC-UHFFFAOYSA-N 1 0 333.388 3.033 20 5 EGBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000590566668 459150686 /nfs/dbraw/zinc/15/06/86/459150686.db2.gz OUFVSRVAEOTLGW-IUODEOHRSA-N 1 0 333.432 3.057 20 5 EGBDRO Cc1c(C[NH2+][C@H](c2cccnc2)C(C)(C)CO)cccc1[N+](=O)[O-] ZINC000590601092 459157384 /nfs/dbraw/zinc/15/73/84/459157384.db2.gz OGROJJPEDWHAES-QGZVFWFLSA-N 1 0 329.400 3.148 20 5 EGBDRO CC[N@@H+]1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)C[C@H]1C ZINC000590635347 459167825 /nfs/dbraw/zinc/16/78/25/459167825.db2.gz FKJVIBQCPLDKNF-GFCCVEGCSA-N 1 0 332.429 3.249 20 5 EGBDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000590658191 459173999 /nfs/dbraw/zinc/17/39/99/459173999.db2.gz XMPYDJFAQGANGR-HIFRSBDPSA-N 1 0 344.367 3.286 20 5 EGBDRO Cc1c(NC(=O)CC[NH+]2CCC(OC(C)C)CC2)cccc1[N+](=O)[O-] ZINC000533016854 459175796 /nfs/dbraw/zinc/17/57/96/459175796.db2.gz QWHOLDCOLKCQPZ-UHFFFAOYSA-N 1 0 349.431 3.121 20 5 EGBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000578494326 459209891 /nfs/dbraw/zinc/20/98/91/459209891.db2.gz NWSRRHPFHOGWFR-LLVKDONJSA-N 1 0 342.827 3.490 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@H]1CCN1Cc1ccccc1 ZINC000594999208 459209951 /nfs/dbraw/zinc/20/99/51/459209951.db2.gz QLELKFRNXLGJMN-FUKWUPMWSA-N 1 0 337.423 3.472 20 5 EGBDRO Cc1ccc(C[NH2+]C[C@@H]2CCN2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000594998083 459210256 /nfs/dbraw/zinc/21/02/56/459210256.db2.gz GKFLHUYKJLRILD-SFHVURJKSA-N 1 0 325.412 3.267 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](C)[C@H](O)Cc1ccccc1 ZINC000595022542 459219495 /nfs/dbraw/zinc/21/94/95/459219495.db2.gz MPPCNTVKDNTOHC-SUNYJGFJSA-N 1 0 344.411 3.246 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H](CO)Cc1cccc(C)c1 ZINC000595042600 459225829 /nfs/dbraw/zinc/22/58/29/459225829.db2.gz ULYKYGDIXBHAFZ-ZBFHGGJFSA-N 1 0 344.411 3.166 20 5 EGBDRO C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000481120137 459234963 /nfs/dbraw/zinc/23/49/63/459234963.db2.gz ZXQXCFNZINYDID-CZUORRHYSA-N 1 0 345.443 3.288 20 5 EGBDRO CCC[C@@H]([NH2+]C1CCN([C@H]2CCOC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000595102119 459246004 /nfs/dbraw/zinc/24/60/04/459246004.db2.gz JVZHKFOFEVNUDR-RBUKOAKNSA-N 1 0 347.459 3.279 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000595105934 459246657 /nfs/dbraw/zinc/24/66/57/459246657.db2.gz UUCXKKQFKZNMPC-KBPBESRZSA-N 1 0 333.432 3.201 20 5 EGBDRO C[C@@H]1CCC[C@@]1(O)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000559353822 459255367 /nfs/dbraw/zinc/25/53/67/459255367.db2.gz YAKGBWDXNIAAFS-FZKQIMNGSA-N 1 0 330.384 3.496 20 5 EGBDRO CC(C)[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccc(Cl)cc1 ZINC000534137088 459292389 /nfs/dbraw/zinc/29/23/89/459292389.db2.gz AQOCPOXFXWBBLS-QGZVFWFLSA-N 1 0 349.818 3.397 20 5 EGBDRO CCOc1cc(N2CC[C@@H](C3CC[NH+](C)CC3)C2)ccc1[N+](=O)[O-] ZINC000534424201 459326510 /nfs/dbraw/zinc/32/65/10/459326510.db2.gz CMJDCADMXINXTB-OAHLLOKOSA-N 1 0 333.432 3.162 20 5 EGBDRO O=[N+]([O-])c1cc(F)ccc1CN1CCC([NH2+]Cc2ccccc2)CC1 ZINC000595509756 459330377 /nfs/dbraw/zinc/33/03/77/459330377.db2.gz UWCQMTDBTMCLAD-UHFFFAOYSA-N 1 0 343.402 3.488 20 5 EGBDRO Cc1c(NC(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000591272255 459344340 /nfs/dbraw/zinc/34/43/40/459344340.db2.gz PUURKVZJAIQPKA-LSDHHAIUSA-N 1 0 346.431 3.147 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000591298971 459349136 /nfs/dbraw/zinc/34/91/36/459349136.db2.gz QVTANEYOLGHINH-HUUCEWRRSA-N 1 0 346.431 3.147 20 5 EGBDRO CC(C)(C)c1ccc(NC(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)cc1[N+](=O)[O-] ZINC000591306220 459351016 /nfs/dbraw/zinc/35/10/16/459351016.db2.gz PFIFYAVMDYSVFQ-IUODEOHRSA-N 1 0 346.431 3.108 20 5 EGBDRO CC(C)(C)[C@H]1CCC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000483237466 459352535 /nfs/dbraw/zinc/35/25/35/459352535.db2.gz VUOAAHQBMFIYPI-HNNXBMFYSA-N 1 0 345.443 3.242 20 5 EGBDRO O=C(C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21)NC1CCCC1 ZINC000591348321 459358128 /nfs/dbraw/zinc/35/81/28/459358128.db2.gz QYARAKASDVIQTC-QGZVFWFLSA-N 1 0 331.416 3.011 20 5 EGBDRO COc1ccc(OCC[N@H+](C)CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000524425111 459362779 /nfs/dbraw/zinc/36/27/79/459362779.db2.gz ASVJJEDCRLURRS-UHFFFAOYSA-N 1 0 330.384 3.157 20 5 EGBDRO CC(C)CC[C@@H]1CCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000541350651 459447895 /nfs/dbraw/zinc/44/78/95/459447895.db2.gz NCFJPWBTBPSYMS-HOTGVXAUSA-N 1 0 336.432 3.235 20 5 EGBDRO CCCC[N@H+](C)CCNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000485600953 459461766 /nfs/dbraw/zinc/46/17/66/459461766.db2.gz NXASRQABIAJMQP-UHFFFAOYSA-N 1 0 348.447 3.001 20 5 EGBDRO C[C@H](C(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000561536146 459461865 /nfs/dbraw/zinc/46/18/65/459461865.db2.gz WYSYBFYBTZJSLA-CABCVRRESA-N 1 0 345.443 3.031 20 5 EGBDRO C[N@H+](CCCNc1ncnc2cccc([N+](=O)[O-])c21)C1CCCCC1 ZINC000541590015 459469759 /nfs/dbraw/zinc/46/97/59/459469759.db2.gz TYPVTPKKOKLYDI-UHFFFAOYSA-N 1 0 343.431 3.026 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCC12CC[NH+](C)CC2 ZINC000569653885 459486073 /nfs/dbraw/zinc/48/60/73/459486073.db2.gz XGBFZBDNCLHNBP-UHFFFAOYSA-N 1 0 346.431 3.249 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](N[C@H]2CCc3nc[nH]c3C2)C(F)(F)F)cc1 ZINC000583208902 459501640 /nfs/dbraw/zinc/50/16/40/459501640.db2.gz UIBJYFNVKJCAID-HZMBPMFUSA-N 1 0 340.305 3.068 20 5 EGBDRO CCC[C@@H](C)[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000486789046 459519735 /nfs/dbraw/zinc/51/97/35/459519735.db2.gz QGMDQEFPFPDCSN-CZUORRHYSA-N 1 0 349.431 3.443 20 5 EGBDRO CCOc1cc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCOC2)ccc1[N+](=O)[O-] ZINC000592134903 459532983 /nfs/dbraw/zinc/53/29/83/459532983.db2.gz SFAIMBXVKATJEG-JKSUJKDBSA-N 1 0 334.416 3.385 20 5 EGBDRO O=[N+]([O-])c1cc(C(F)F)ccc1NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000596168827 459545896 /nfs/dbraw/zinc/54/58/96/459545896.db2.gz XUGBMFOCTSXWOB-CYBMUJFWSA-N 1 0 341.358 3.198 20 5 EGBDRO CC[NH+](CC)[C@H](CNC(=O)c1ccc(C)c([N+](=O)[O-])c1)CC(C)C ZINC000498039284 459565244 /nfs/dbraw/zinc/56/52/44/459565244.db2.gz PHOWNFGXTVQAGL-INIZCTEOSA-N 1 0 335.448 3.390 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+]C(C)(C)c1cccs1 ZINC000542573885 459572781 /nfs/dbraw/zinc/57/27/81/459572781.db2.gz WDVWSMUGDWRAPE-UHFFFAOYSA-N 1 0 349.412 3.128 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000583663873 459576363 /nfs/dbraw/zinc/57/63/63/459576363.db2.gz ZCMILWTUZILMAR-DZGCQCFKSA-N 1 0 348.447 3.494 20 5 EGBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CCC2(CCC([NH+](C)C)CC2)CC1 ZINC000596256000 459576912 /nfs/dbraw/zinc/57/69/12/459576912.db2.gz VUERAWPCVYPTQW-UHFFFAOYSA-N 1 0 349.479 3.210 20 5 EGBDRO CC[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000498746456 459604151 /nfs/dbraw/zinc/60/41/51/459604151.db2.gz FXTOFJYYEQHQLH-UHFFFAOYSA-N 1 0 343.383 3.069 20 5 EGBDRO CCC[C@H](C)[C@H]1CCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000543208681 459635410 /nfs/dbraw/zinc/63/54/10/459635410.db2.gz YCTGCDOCWPIOCF-ARFHVFGLSA-N 1 0 336.432 3.235 20 5 EGBDRO COc1ccc(NC(=O)CC[NH2+][C@H]2[C@H](C)CCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000584259010 459692651 /nfs/dbraw/zinc/69/26/51/459692651.db2.gz REUDBHBJLLCDLW-MCBXIFIFSA-N 1 0 349.431 3.346 20 5 EGBDRO C[N@H+](CC1CC1)C[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000543856534 459707937 /nfs/dbraw/zinc/70/79/37/459707937.db2.gz HRBGINMQPOJXFD-CQSZACIVSA-N 1 0 337.851 3.412 20 5 EGBDRO Cc1c(NC(=O)CC[NH+]2CCC3(CCC3)CC2)cccc1[N+](=O)[O-] ZINC000586783316 459871531 /nfs/dbraw/zinc/87/15/31/459871531.db2.gz AFOGTTRBJOSKGZ-UHFFFAOYSA-N 1 0 331.416 3.498 20 5 EGBDRO O=C(Nc1ccc([N+](=O)[O-])cc1F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000602249793 459877322 /nfs/dbraw/zinc/87/73/22/459877322.db2.gz MMGFGPNYFZSZTN-CQSZACIVSA-N 1 0 343.358 3.195 20 5 EGBDRO C[C@H]1C[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@@]1(C)CO ZINC000597236311 459888760 /nfs/dbraw/zinc/88/87/60/459888760.db2.gz PRJZWRWPCAGTCS-SJCJKPOMSA-N 1 0 347.440 3.169 20 5 EGBDRO CC[C@@H]1CCCC[N@@H+]1CCNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000587977924 459897197 /nfs/dbraw/zinc/89/71/97/459897197.db2.gz ZQTSCYABAXUATG-LLVKDONJSA-N 1 0 335.433 3.276 20 5 EGBDRO O=[N+]([O-])c1ncccc1N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000588072504 459908487 /nfs/dbraw/zinc/90/84/87/459908487.db2.gz UAXMVXJQVFZRQE-LJQANCHMSA-N 1 0 338.411 3.092 20 5 EGBDRO CCc1ccc(C(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000598562981 459938499 /nfs/dbraw/zinc/93/84/99/459938499.db2.gz YICASUWKMJMNCY-OAHLLOKOSA-N 1 0 345.443 3.009 20 5 EGBDRO CC[N@@H+](Cc1cc(Br)c([N+](=O)[O-])s1)C[C@H]1CCOC1 ZINC000602443321 459940839 /nfs/dbraw/zinc/94/08/39/459940839.db2.gz IYBDSGBXMYBZCM-SECBINFHSA-N 1 0 349.250 3.277 20 5 EGBDRO COC[C@@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602469349 459952358 /nfs/dbraw/zinc/95/23/58/459952358.db2.gz UFFUSFRVWINTTG-LLVKDONJSA-N 1 0 332.322 3.472 20 5 EGBDRO O=[N+]([O-])c1cc(Br)ccc1N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000609384420 459956059 /nfs/dbraw/zinc/95/60/59/459956059.db2.gz TVXJGKIOUVWQHE-LBPRGKRZSA-N 1 0 340.221 3.254 20 5 EGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000602480131 459960155 /nfs/dbraw/zinc/96/01/55/459960155.db2.gz UDTVMOSUZLTHRL-AAEUAGOBSA-N 1 0 344.333 3.472 20 5 EGBDRO C[C@@H]1CCC[C@H](C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000602521491 459981861 /nfs/dbraw/zinc/98/18/61/459981861.db2.gz CCSYKIPZFGVXHR-CABCVRRESA-N 1 0 332.448 3.375 20 5 EGBDRO CCC(O)(CC)C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602524958 459982725 /nfs/dbraw/zinc/98/27/25/459982725.db2.gz PEILNTANRBUSTD-UHFFFAOYSA-N 1 0 337.239 3.060 20 5 EGBDRO CC(=O)N1CC[C@@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000598678831 459989133 /nfs/dbraw/zinc/98/91/33/459989133.db2.gz VQBPOVMUJIVFHT-GOSISDBHSA-N 1 0 339.395 3.225 20 5 EGBDRO C[C@@H](CNCc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000602543015 459990549 /nfs/dbraw/zinc/99/05/49/459990549.db2.gz DPZKEZKULPHSSY-JTQLQIEISA-N 1 0 331.338 3.186 20 5 EGBDRO C[N@@H+]1CCC[C@H](CNCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602548032 459992409 /nfs/dbraw/zinc/99/24/09/459992409.db2.gz LFAHMSMMQUYDOW-LLVKDONJSA-N 1 0 331.338 3.045 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CCCC(F)(F)C3)CC2)cn1 ZINC000602568745 460001124 /nfs/dbraw/zinc/00/11/24/460001124.db2.gz MHIRSPAWJCJIOT-CYBMUJFWSA-N 1 0 340.374 3.126 20 5 EGBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[N@H+](C)C[C@H]1CC ZINC000597604235 460005424 /nfs/dbraw/zinc/00/54/24/460005424.db2.gz ICOMMQXFCKUNFA-DLBZAZTESA-N 1 0 347.459 3.106 20 5 EGBDRO CC[C@H]([NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)[C@H]1CCCO1 ZINC000602582284 460009471 /nfs/dbraw/zinc/00/94/71/460009471.db2.gz VGOSTNWUDMLPAX-WDEREUQCSA-N 1 0 349.250 3.466 20 5 EGBDRO C[C@@H]1CCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[C@@H]1CC[NH3+] ZINC000593917602 460017044 /nfs/dbraw/zinc/01/70/44/460017044.db2.gz WOEQDSIEYUJCOJ-BXUZGUMPSA-N 1 0 347.440 3.399 20 5 EGBDRO C[C@H]1CCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[C@@H]1CC[NH3+] ZINC000593917605 460017088 /nfs/dbraw/zinc/01/70/88/460017088.db2.gz WOEQDSIEYUJCOJ-SMDDNHRTSA-N 1 0 347.440 3.399 20 5 EGBDRO Cc1ccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c(N2CCCC2)n1 ZINC000602598590 460017252 /nfs/dbraw/zinc/01/72/52/460017252.db2.gz XHKJZUMMZKLXEI-UHFFFAOYSA-N 1 0 340.427 3.231 20 5 EGBDRO CC(C)c1ccc(C(=O)N2CCC[C@H](C)[C@@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC000593916290 460017433 /nfs/dbraw/zinc/01/74/33/460017433.db2.gz PKRJHGXHMACWHP-BBRMVZONSA-N 1 0 333.432 3.308 20 5 EGBDRO C[C@H]1C[C@@H]([NH3+])CCN1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000593921398 460017507 /nfs/dbraw/zinc/01/75/07/460017507.db2.gz XOVLDACFAHIQBW-AAEUAGOBSA-N 1 0 332.429 3.030 20 5 EGBDRO C[N@@H+]1CC[C@@]2(CCN(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2)C1 ZINC000602671786 460057584 /nfs/dbraw/zinc/05/75/84/460057584.db2.gz IKOJVKVZEZPYRG-OAHLLOKOSA-N 1 0 343.349 3.141 20 5 EGBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000610065150 460058432 /nfs/dbraw/zinc/05/84/32/460058432.db2.gz PJDRZJUVZRNHLU-MRXNPFEDSA-N 1 0 347.459 3.253 20 5 EGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@@H]2Cc3ccccc32)n1 ZINC000618568268 460064746 /nfs/dbraw/zinc/06/47/46/460064746.db2.gz ZZFCDAXQNIHSIL-USXIJHARSA-N 1 0 326.400 3.205 20 5 EGBDRO CN(CCCC[NH+](C)C)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000610111903 460065937 /nfs/dbraw/zinc/06/59/37/460065937.db2.gz IUASYTBCADOILM-UHFFFAOYSA-N 1 0 335.429 3.223 20 5 EGBDRO COc1ccc(C[NH2+][C@@H](CC(=O)OC(C)C)C(C)C)cc1[N+](=O)[O-] ZINC000594042229 460071159 /nfs/dbraw/zinc/07/11/59/460071159.db2.gz RGNCKZKPOVMZIW-AWEZNQCLSA-N 1 0 338.404 3.059 20 5 EGBDRO O=[N+]([O-])c1sc(C[NH2+]CCCC2(O)CCC2)cc1Br ZINC000602699062 460072651 /nfs/dbraw/zinc/07/26/51/460072651.db2.gz QANITSHOPIWYHO-UHFFFAOYSA-N 1 0 349.250 3.204 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000589376754 460080900 /nfs/dbraw/zinc/08/09/00/460080900.db2.gz BINMLAZLSXAPNJ-CQSZACIVSA-N 1 0 334.420 3.152 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cnccc2C(F)(F)F)cc1 ZINC000602714437 460082660 /nfs/dbraw/zinc/08/26/60/460082660.db2.gz JDKHAAKIXMUPJJ-UHFFFAOYSA-N 1 0 325.290 3.341 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(N2CCC[N@H+](Cc3ccccc3)CC2)c1 ZINC000610272646 460101103 /nfs/dbraw/zinc/10/11/03/460101103.db2.gz NGGYOBFORUZMIW-UHFFFAOYSA-N 1 0 341.411 3.316 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](C)c1c(F)cccc1Cl ZINC000602804043 460137310 /nfs/dbraw/zinc/13/73/10/460137310.db2.gz HHTPCWICVNKEAF-VIFPVBQESA-N 1 0 326.759 3.243 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1[C@H](C)C[C@H](c2ccccc2)[C@@H]1C ZINC000602834862 460152348 /nfs/dbraw/zinc/15/23/48/460152348.db2.gz FTWSUWIDLNCIKJ-KEYYUXOJSA-N 1 0 328.416 3.366 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1Cc2ccccc2NC1=O ZINC000599075103 460154272 /nfs/dbraw/zinc/15/42/72/460154272.db2.gz SXKIYPIFJLSPTF-SJKOYZFVSA-N 1 0 325.368 3.117 20 5 EGBDRO O=[N+]([O-])c1ccc(CN2CCCN(c3cc[nH+]cc3)CC2)c(Cl)c1 ZINC000602846013 460158498 /nfs/dbraw/zinc/15/84/98/460158498.db2.gz OKYXHMDJWSZXMI-UHFFFAOYSA-N 1 0 346.818 3.356 20 5 EGBDRO CN(C(=O)CN1CC[C@@H]1c1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000610505815 460168002 /nfs/dbraw/zinc/16/80/02/460168002.db2.gz XRCUZFFKWHHQGP-QGZVFWFLSA-N 1 0 343.358 3.144 20 5 EGBDRO CC[C@@H](C[NH+]1CCCC1)Nc1ncc([N+](=O)[O-])cc1Br ZINC000610575772 460187332 /nfs/dbraw/zinc/18/73/32/460187332.db2.gz PBOJLEPFJZJGCD-JTQLQIEISA-N 1 0 343.225 3.039 20 5 EGBDRO C[C@@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000602958793 460201840 /nfs/dbraw/zinc/20/18/40/460201840.db2.gz HVCJOTAGGRRDKX-XJKSGUPXSA-N 1 0 334.420 3.179 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)ccc1Cn1cc(C[NH2+]C2CCCCC2)nn1 ZINC000603216526 460267093 /nfs/dbraw/zinc/26/70/93/460267093.db2.gz UMQSATRRHHGBNE-UHFFFAOYSA-N 1 0 349.822 3.310 20 5 EGBDRO O=C(CC[N@@H+]1CCCC(F)(F)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000599553275 460274437 /nfs/dbraw/zinc/27/44/37/460274437.db2.gz YBKBFGDSYNSVPD-UHFFFAOYSA-N 1 0 327.331 3.045 20 5 EGBDRO C[C@@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599589376 460282831 /nfs/dbraw/zinc/28/28/31/460282831.db2.gz SAUWXWCWCNCZIF-PBHICJAKSA-N 1 0 348.443 3.437 20 5 EGBDRO CC[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1cc(C)ccc1C ZINC000599641181 460296126 /nfs/dbraw/zinc/29/61/26/460296126.db2.gz QTOMRLTYDLTJOE-KRWDZBQOSA-N 1 0 329.400 3.114 20 5 EGBDRO Cc1c(C(=O)N(C)CCCC[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000603414700 460300010 /nfs/dbraw/zinc/30/00/10/460300010.db2.gz UKSQGGJAFFGHLJ-UHFFFAOYSA-N 1 0 333.432 3.241 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)nc1-c1ccccc1 ZINC000611182844 460303311 /nfs/dbraw/zinc/30/33/11/460303311.db2.gz GTINQGOEQSPOTA-CVEARBPZSA-N 1 0 338.411 3.117 20 5 EGBDRO CCC(O)(CC)C[N@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000599673053 460305371 /nfs/dbraw/zinc/30/53/71/460305371.db2.gz IRPTXPOPYPYZJY-UHFFFAOYSA-N 1 0 333.388 3.233 20 5 EGBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)CCCC[NH+](C)C ZINC000611215071 460310279 /nfs/dbraw/zinc/31/02/79/460310279.db2.gz NADMDUMLVLONJM-UHFFFAOYSA-N 1 0 339.461 3.121 20 5 EGBDRO COc1ccc([C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C2CC2)cn1 ZINC000599702045 460316053 /nfs/dbraw/zinc/31/60/53/460316053.db2.gz WEUWUNATYUHLJK-SFHVURJKSA-N 1 0 327.384 3.282 20 5 EGBDRO CC[N@H+](CCc1ccccc1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611254685 460317908 /nfs/dbraw/zinc/31/79/08/460317908.db2.gz CTIGQAVYFZTMRW-UHFFFAOYSA-N 1 0 342.395 3.431 20 5 EGBDRO Cc1cc(C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000603659875 460331899 /nfs/dbraw/zinc/33/18/99/460331899.db2.gz QJPHEAQYOYIMFS-KRWDZBQOSA-N 1 0 333.432 3.144 20 5 EGBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCC(F)(F)C1 ZINC000611475933 460372901 /nfs/dbraw/zinc/37/29/01/460372901.db2.gz VWIQFHOPRJPBQV-PWSUYJOCSA-N 1 0 327.331 3.089 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+]CCN2CCCc3ccccc32)c(F)c1 ZINC000611497724 460378283 /nfs/dbraw/zinc/37/82/83/460378283.db2.gz CMRVHPYOHKHTES-UHFFFAOYSA-N 1 0 329.375 3.276 20 5 EGBDRO CCCC(=O)NC1CC[NH+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000611515335 460384093 /nfs/dbraw/zinc/38/40/93/460384093.db2.gz JTCIKXVUIUGAPS-CQSZACIVSA-N 1 0 333.432 3.345 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1cccc(N2CCC2=O)c1 ZINC000619673999 460408913 /nfs/dbraw/zinc/40/89/13/460408913.db2.gz VUWAYKGRBMEZKK-AWEZNQCLSA-N 1 0 339.395 3.491 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccsc1 ZINC000619746376 460428255 /nfs/dbraw/zinc/42/82/55/460428255.db2.gz QVBNXCGSJXDUCL-GHMZBOCLSA-N 1 0 349.412 3.343 20 5 EGBDRO C[C@H]1CN(c2ccccc2F)CCN1Cc1cccc([N+](=O)[O-])c1 ZINC000616133051 460479653 /nfs/dbraw/zinc/47/96/53/460479653.db2.gz VMDGNBIPLWKTKM-AWEZNQCLSA-N 1 0 329.375 3.445 20 5 EGBDRO Cc1cc(N2CCC[C@@H](n3ccnc3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000611925887 460490908 /nfs/dbraw/zinc/49/09/08/460490908.db2.gz RUYWJLNOXSLXLC-OAHLLOKOSA-N 1 0 337.383 3.489 20 5 EGBDRO Cn1cc(C[NH2+][C@@H]2C[C@H]2C(F)(F)F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000601159985 460736517 /nfs/dbraw/zinc/73/65/17/460736517.db2.gz OZQPVJOJNFJQSI-CHWSQXEVSA-N 1 0 340.305 3.036 20 5 EGBDRO Cc1ncc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)s1 ZINC000601936370 460950693 /nfs/dbraw/zinc/95/06/93/460950693.db2.gz SNLMGNPKGBWFOV-VHSXEESVSA-N 1 0 334.401 3.038 20 5 EGBDRO COc1cc(C[NH2+]CCC2CC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000174606630 533872627 /nfs/dbraw/zinc/87/26/27/533872627.db2.gz GZPAJHPNFDVFIV-UHFFFAOYSA-N 1 0 348.321 3.434 20 5 EGBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(OCC2CC2)c(F)c1 ZINC000181569613 533877354 /nfs/dbraw/zinc/87/73/54/533877354.db2.gz YLQOEBLAWBVMHM-LBPRGKRZSA-N 1 0 348.378 3.070 20 5 EGBDRO C[NH+](C)[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000531068405 517915655 /nfs/dbraw/zinc/91/56/55/517915655.db2.gz ZSQZECOFBIXALC-MRXNPFEDSA-N 1 0 347.802 3.281 20 5 EGBDRO CO[C@@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)C12CCC2 ZINC000459724323 518116672 /nfs/dbraw/zinc/11/66/72/518116672.db2.gz ANIHQMCSIFSNPD-ZIAGYGMSSA-N 1 0 342.342 3.243 20 5 EGBDRO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000032761958 526493471 /nfs/dbraw/zinc/49/34/71/526493471.db2.gz VWYVUWUUFNQUFT-HNNXBMFYSA-N 1 0 345.424 3.223 20 5 EGBDRO CC[C@@H]([NH2+]CCNC(=O)c1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000178453786 529166407 /nfs/dbraw/zinc/16/64/07/529166407.db2.gz FICLDKXHRVKXSD-QGZVFWFLSA-N 1 0 345.374 3.205 20 5 EGBDRO CCCCC[N@H+](CCO)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000266018571 535041772 /nfs/dbraw/zinc/04/17/72/535041772.db2.gz VQAQSHJMWBSOPM-UHFFFAOYSA-N 1 0 347.415 3.277 20 5 EGBDRO CC[C@H](NC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000262388107 536154249 /nfs/dbraw/zinc/15/42/49/536154249.db2.gz YOLYFRWVVANWOS-BWDFJHHZSA-N 1 0 345.443 3.316 20 5 EGBDRO COc1ccc(-c2ccc(CN3CC[NH2+]C(C)(C)C3)o2)c([N+](=O)[O-])c1 ZINC000352948175 536895919 /nfs/dbraw/zinc/89/59/19/536895919.db2.gz RCTGMTUPSCLPIL-UHFFFAOYSA-N 1 0 345.399 3.047 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)[C@H]1COc2ccccc21 ZINC000185555747 536956148 /nfs/dbraw/zinc/95/61/48/536956148.db2.gz LXVSVOGZEPJDFX-BLLLJJGKSA-N 1 0 328.368 3.258 20 5 EGBDRO CN1CC[C@H]([NH2+]Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000729681685 574878085 /nfs/dbraw/zinc/87/80/85/574878085.db2.gz ILFAHBBYZIMTCK-HNNXBMFYSA-N 1 0 345.374 3.320 20 5 EGBDRO CC[NH+](CC)[C@@H](CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)CC(C)C ZINC000733156150 575311601 /nfs/dbraw/zinc/31/16/01/575311601.db2.gz BFQZWXADYRXYBW-ZPHJMFTNSA-N 1 0 347.459 3.481 20 5 EGBDRO O=[N+]([O-])c1ccc(NC(=S)N2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000737459018 576232458 /nfs/dbraw/zinc/23/24/58/576232458.db2.gz JWIVGVRRAKIZQT-HNNXBMFYSA-N 1 0 348.472 3.242 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@H](O)c1c(F)cccc1F ZINC000740899405 576635084 /nfs/dbraw/zinc/63/50/84/576635084.db2.gz REEFDPZPLUWAJU-LEXSJLIMSA-N 1 0 334.322 3.209 20 5 EGBDRO O=C(NC1CC[NH+](CC2CCCCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000744029663 576819176 /nfs/dbraw/zinc/81/91/76/576819176.db2.gz SIAGGZVLKBGFAF-UHFFFAOYSA-N 1 0 345.443 3.369 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCC[C@@H](N2CCCC2=O)CC1 ZINC000877590089 1299418106 /nfs/dbraw/zinc/41/81/06/1299418106.db2.gz QAFWUKVXCGIPSE-MRXNPFEDSA-N 1 0 345.443 3.189 20 5 EGBDRO Cc1ccc(C[N@@H+]2CCCN(c3ccc([N+](=O)[O-])cn3)CC2)cc1 ZINC000045683310 1291514103 /nfs/dbraw/zinc/51/41/03/1291514103.db2.gz ZNVXKFXIDJVMRB-UHFFFAOYSA-N 1 0 326.400 3.011 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000058092840 1291878682 /nfs/dbraw/zinc/87/86/82/1291878682.db2.gz PZCHTHWVTQJQCT-UHFFFAOYSA-N 1 0 335.747 3.489 20 5 EGBDRO CCCCO[C@@H]1C[C@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1(C)C ZINC000829677997 1292600505 /nfs/dbraw/zinc/60/05/05/1292600505.db2.gz VMWONYJUNRSRQS-YESZJQIVSA-N 1 0 336.432 3.202 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@H](OC(=O)N(C)C)C1 ZINC000830584703 1292737158 /nfs/dbraw/zinc/73/71/58/1292737158.db2.gz YQVYNLDDHGOZPF-HIFRSBDPSA-N 1 0 335.404 3.127 20 5 EGBDRO COCC[N@H+](Cc1c2ccccc2cc2ccccc21)[C@H](C)C(N)=O ZINC000093138420 1292908930 /nfs/dbraw/zinc/90/89/30/1292908930.db2.gz FDXZVEKJVLFVIS-OAHLLOKOSA-N 1 0 336.435 3.315 20 5 EGBDRO CO[C@H](C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)Cc1ccccc1 ZINC000834855591 1293157550 /nfs/dbraw/zinc/15/75/50/1293157550.db2.gz BKPZRYWKZTUCGW-BBRMVZONSA-N 1 0 329.400 3.085 20 5 EGBDRO C[C@]1(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1(Cl)Cl ZINC000834885274 1293163373 /nfs/dbraw/zinc/16/33/73/1293163373.db2.gz UPFZRGWKCIJYNH-GMXVVIOVSA-N 1 0 347.246 3.449 20 5 EGBDRO CCCN(CC[NH+](CC)CC)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000120768403 1293337917 /nfs/dbraw/zinc/33/79/17/1293337917.db2.gz RRYQIUNTCGQVGT-UHFFFAOYSA-N 1 0 341.839 3.442 20 5 EGBDRO C[C@@H]1CCC[C@@H]([NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@@H]1C ZINC000132034711 1293706837 /nfs/dbraw/zinc/70/68/37/1293706837.db2.gz LSPQOBKTQQALTK-LALPHHSUSA-N 1 0 337.395 3.477 20 5 EGBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000136616475 1293819334 /nfs/dbraw/zinc/81/93/34/1293819334.db2.gz ZIECHZSHFQKLMJ-NWDGAFQWSA-N 1 0 339.823 3.098 20 5 EGBDRO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CC[NH+](CC2CCCCC2)CC1 ZINC000154961080 1294078389 /nfs/dbraw/zinc/07/83/89/1294078389.db2.gz JDZKPTAKNUAPRH-UHFFFAOYSA-N 1 0 349.406 3.072 20 5 EGBDRO Cc1nn(C[N@@H+]2CC[C@H](c3ccccc3)[C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000172937072 1294450733 /nfs/dbraw/zinc/45/07/33/1294450733.db2.gz WMRMQJMEESJRHU-DYVFJYSZSA-N 1 0 328.416 3.491 20 5 EGBDRO CC(C)c1ccc(C[N@@H+]2CCC[C@@H](C3OCCO3)C2)cc1[N+](=O)[O-] ZINC000179371109 1294791078 /nfs/dbraw/zinc/79/10/78/1294791078.db2.gz GSIYFEOKIKXNDN-OAHLLOKOSA-N 1 0 334.416 3.303 20 5 EGBDRO C[C@@H]1OCC[C@@]1(C)[NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000230155749 1296161297 /nfs/dbraw/zinc/16/12/97/1296161297.db2.gz TYZGUNGTUSLNMZ-TVQRCGJNSA-N 1 0 329.194 3.014 20 5 EGBDRO CO[C@@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2Br)C1(C)C ZINC000234844197 1296180025 /nfs/dbraw/zinc/18/00/25/1296180025.db2.gz MFMLUNXEKKFNGL-VXGBXAGGSA-N 1 0 343.221 3.260 20 5 EGBDRO CC[C@H](NC(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000246505013 1296357205 /nfs/dbraw/zinc/35/72/05/1296357205.db2.gz QDUSVSUKWKQCDL-DOPJRALCSA-N 1 0 341.411 3.498 20 5 EGBDRO O=[N+]([O-])c1ccc(F)cc1CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246545982 1296360099 /nfs/dbraw/zinc/36/00/99/1296360099.db2.gz KEBHSPLEAFBSSB-SUMWQHHRSA-N 1 0 333.407 3.183 20 5 EGBDRO C[C@H](CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC000249941096 1296454107 /nfs/dbraw/zinc/45/41/07/1296454107.db2.gz WBIYKCFFGMFSON-NWDGAFQWSA-N 1 0 339.823 3.098 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCOc1cccnc1 ZINC000872034841 1296684017 /nfs/dbraw/zinc/68/40/17/1296684017.db2.gz LINUUVBLKJSQOP-GFCCVEGCSA-N 1 0 333.413 3.441 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCOC[C@H]1CCCO1 ZINC000872036080 1296686223 /nfs/dbraw/zinc/68/62/23/1296686223.db2.gz RTRSZRTWTQJERM-GXTWGEPZSA-N 1 0 340.445 3.163 20 5 EGBDRO CCN(CC)c1ccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)cn1 ZINC000873015989 1297225181 /nfs/dbraw/zinc/22/51/81/1297225181.db2.gz BHUIHZUFAVWPDG-UHFFFAOYSA-N 1 0 328.416 3.434 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]Cc1cnn(CC(F)(F)F)c1 ZINC000873080861 1297264320 /nfs/dbraw/zinc/26/43/20/1297264320.db2.gz VHKRNFQRRYVVPT-UHFFFAOYSA-N 1 0 342.321 3.260 20 5 EGBDRO Cc1c(C[NH2+][C@@H]2CCO[C@@H](c3ccccn3)C2)cccc1[N+](=O)[O-] ZINC000873130016 1297287095 /nfs/dbraw/zinc/28/70/95/1297287095.db2.gz WIMWZKPIFPFEJG-CRAIPNDOSA-N 1 0 327.384 3.308 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H](O)c3ccco3)o2)cc1 ZINC000747099155 1298726386 /nfs/dbraw/zinc/72/63/86/1298726386.db2.gz UMYRTHPTWFQXDZ-OAHLLOKOSA-N 1 0 328.324 3.271 20 5 EGBDRO CC(C)CCSc1ccc(C(=O)N(C)C[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000877096242 1299156614 /nfs/dbraw/zinc/15/66/14/1299156614.db2.gz AIRAPPNOPDZWRF-LBPRGKRZSA-N 1 0 339.461 3.152 20 5 EGBDRO Cc1ccc(CCC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000749641355 1299250393 /nfs/dbraw/zinc/25/03/93/1299250393.db2.gz XYWZRKDWEKKONW-LJQANCHMSA-N 1 0 328.412 3.467 20 5 EGBDRO CC[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1OC ZINC000749669356 1299253734 /nfs/dbraw/zinc/25/37/34/1299253734.db2.gz DDPSLTWBMPLWOM-IAGOWNOFSA-N 1 0 330.384 3.378 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H]2CCCOc3ccc(F)cc32)c1 ZINC000749684342 1299255692 /nfs/dbraw/zinc/25/56/92/1299255692.db2.gz BLTUXULFOBIFLM-IRXDYDNUSA-N 1 0 346.358 3.271 20 5 EGBDRO Cc1c(C[N@H+]2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000749807524 1299276128 /nfs/dbraw/zinc/27/61/28/1299276128.db2.gz VQJCXQUQTBJSTH-OAHLLOKOSA-N 1 0 349.431 3.344 20 5 EGBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000751386580 1299544658 /nfs/dbraw/zinc/54/46/58/1299544658.db2.gz HAEPSWSNBIRKFF-VNHYZAJKSA-N 1 0 349.406 3.211 20 5 EGBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000751386577 1299545152 /nfs/dbraw/zinc/54/51/52/1299545152.db2.gz HAEPSWSNBIRKFF-GUTXKFCHSA-N 1 0 349.406 3.211 20 5 EGBDRO COC(=O)CC[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000877818823 1299580733 /nfs/dbraw/zinc/58/07/33/1299580733.db2.gz PTUODNHWWZRDTQ-LBPRGKRZSA-N 1 0 340.807 3.413 20 5 EGBDRO COC(=O)CC[C@H]1CCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000877822640 1299588344 /nfs/dbraw/zinc/58/83/44/1299588344.db2.gz SYFYRUIIBDQDLO-GTBONMDNSA-N 1 0 332.400 3.273 20 5 EGBDRO CC[C@@H]1CCC[N@H+](CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)CC1 ZINC000752794232 1299795892 /nfs/dbraw/zinc/79/58/92/1299795892.db2.gz XFTLZXIBOUXZBN-OAHLLOKOSA-N 1 0 346.431 3.306 20 5 EGBDRO C[C@H](Cc1cnccn1)[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000753946502 1300051629 /nfs/dbraw/zinc/05/16/29/1300051629.db2.gz IBNPNCJMBQLPMA-IIDMSEBBSA-N 1 0 340.427 3.317 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)s1 ZINC000754655352 1300184377 /nfs/dbraw/zinc/18/43/77/1300184377.db2.gz HSHUNRXMFNJCDG-OCCSQVGLSA-N 1 0 336.413 3.055 20 5 EGBDRO COc1cccc([C@@H]2CN(Cc3cccc([N+](=O)[O-])c3C)CC[NH2+]2)c1 ZINC000879526659 1300583476 /nfs/dbraw/zinc/58/34/76/1300583476.db2.gz PVHFKTXAKHDLHE-SFHVURJKSA-N 1 0 341.411 3.058 20 5 EGBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@H](CF)C1 ZINC000880235058 1300996421 /nfs/dbraw/zinc/99/64/21/1300996421.db2.gz XRKNAURDPQGTRX-NWDGAFQWSA-N 1 0 334.351 3.387 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000761043624 1301390344 /nfs/dbraw/zinc/39/03/44/1301390344.db2.gz FGFLRWUUZYVSSH-LLVKDONJSA-N 1 0 345.321 3.116 20 5 EGBDRO COc1ccc(C[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)cc1[N+](=O)[O-] ZINC000762614239 1301712930 /nfs/dbraw/zinc/71/29/30/1301712930.db2.gz LKMKDLPPOZDFOD-UGFHNGPFSA-N 1 0 340.470 3.073 20 5 EGBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2ccnc(F)c2[N+](=O)[O-])C1 ZINC000881837044 1301736663 /nfs/dbraw/zinc/73/66/63/1301736663.db2.gz NGXPIPWTYWBPOQ-GXTWGEPZSA-N 1 0 330.363 3.376 20 5 EGBDRO COc1ccc(F)cc1[C@@H](C)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000765848656 1302338140 /nfs/dbraw/zinc/33/81/40/1302338140.db2.gz LEJPLPPRFRWXJW-BDJLRTHQSA-N 1 0 334.347 3.127 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cccc4cc[nH]c43)CC2)cc1 ZINC000768149336 1302836826 /nfs/dbraw/zinc/83/68/26/1302836826.db2.gz FPTVSGONHBGDIB-UHFFFAOYSA-N 1 0 336.395 3.398 20 5 EGBDRO CC(C)CNC(=O)C1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000768232508 1302859687 /nfs/dbraw/zinc/85/96/87/1302859687.db2.gz CQIBMNFPUUQXLO-FNORWQNLSA-N 1 0 345.443 3.092 20 5 EGBDRO O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000886081798 1303349854 /nfs/dbraw/zinc/34/98/54/1303349854.db2.gz XYGIGBUNYWOZGM-IAGOWNOFSA-N 1 0 345.374 3.217 20 5 EGBDRO CC[C@H]([NH2+]Cc1cccnc1[N+](=O)[O-])c1ccc(OC)c(OC)c1 ZINC000886201623 1303391930 /nfs/dbraw/zinc/39/19/30/1303391930.db2.gz LDXCRCJXMSJUAK-AWEZNQCLSA-N 1 0 331.372 3.248 20 5 EGBDRO CC(C)C[N@@H+]1CCC[C@@H](CNc2nc3ccccn3c2[N+](=O)[O-])C1 ZINC000772904498 1303593372 /nfs/dbraw/zinc/59/33/72/1303593372.db2.gz PGSWCSRKAQMQIU-AWEZNQCLSA-N 1 0 331.420 3.022 20 5 EGBDRO O=[N+]([O-])c1ccc2cnn(C[N@@H+]3CCC[C@H](C[C@H]4CCOC4)C3)c2c1 ZINC000773262005 1303650988 /nfs/dbraw/zinc/65/09/88/1303650988.db2.gz NSQBDDLNXUILRK-HUUCEWRRSA-N 1 0 344.415 3.041 20 5 EGBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCSC(F)(F)F)n1 ZINC000774133262 1303776572 /nfs/dbraw/zinc/77/65/72/1303776572.db2.gz FCSGHCTUIJLDNE-UWVGGRQHSA-N 1 0 338.355 3.118 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CC[C@H](Cc3ccc(F)cc3)C2)cc1 ZINC000776583545 1304174612 /nfs/dbraw/zinc/17/46/12/1304174612.db2.gz FVUGLAYXPFOGAN-DNVCBOLYSA-N 1 0 344.386 3.332 20 5 EGBDRO C[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCc2ccccc2C1 ZINC000776584285 1304175157 /nfs/dbraw/zinc/17/51/57/1304175157.db2.gz KDPMSAMCWGYMFO-RBUKOAKNSA-N 1 0 326.396 3.118 20 5 EGBDRO Cc1csc(C2([NH2+]C[C@H](O)c3ccc([N+](=O)[O-])cc3)CCCC2)n1 ZINC000776590100 1304176357 /nfs/dbraw/zinc/17/63/57/1304176357.db2.gz CGPOSMPIVFVAHF-HNNXBMFYSA-N 1 0 347.440 3.452 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCC[C@@H]2c2ccc(O)cc2)cc1 ZINC000776588982 1304176605 /nfs/dbraw/zinc/17/66/05/1304176605.db2.gz XZMMRWUTNYWQPJ-QZTJIDSGSA-N 1 0 328.368 3.171 20 5 EGBDRO Cc1csc(C2([NH2+]C[C@@H](O)c3ccc([N+](=O)[O-])cc3)CCCC2)n1 ZINC000776590101 1304176737 /nfs/dbraw/zinc/17/67/37/1304176737.db2.gz CGPOSMPIVFVAHF-OAHLLOKOSA-N 1 0 347.440 3.452 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCC[C@H](Nc3ccccc3)C2)cc1 ZINC000776591900 1304176756 /nfs/dbraw/zinc/17/67/56/1304176756.db2.gz RAHPWAPLZOXFFS-HKUYNNGSSA-N 1 0 341.411 3.205 20 5 EGBDRO Cc1nn(C[N@@H+]2CCC[C@@H]2C2CCOCC2)c2ccc([N+](=O)[O-])cc12 ZINC000776768210 1304196270 /nfs/dbraw/zinc/19/62/70/1304196270.db2.gz GAKQIJAYOOTFSW-QGZVFWFLSA-N 1 0 344.415 3.101 20 5 EGBDRO C[N@@H+]1CCCC[C@@H]1CCOC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778166633 1304408008 /nfs/dbraw/zinc/40/80/08/1304408008.db2.gz RKPLMZSLWLRSKJ-CYBMUJFWSA-N 1 0 342.342 3.104 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)ON=C(N)C[N@@H+]1CCCC[C@@H]1C ZINC000778593467 1304472171 /nfs/dbraw/zinc/47/21/71/1304472171.db2.gz ZWAWBQJABKHFDI-UONOGXRCSA-N 1 0 334.420 3.337 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC([NH2+]C2CCC2)CC1 ZINC000889829476 1304599238 /nfs/dbraw/zinc/59/92/38/1304599238.db2.gz QIFSQCUZOZPGFC-UHFFFAOYSA-N 1 0 345.443 3.267 20 5 EGBDRO C[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CC1(c2ccccc2)CC1 ZINC000781928715 1304893442 /nfs/dbraw/zinc/89/34/42/1304893442.db2.gz DNLGXDROTHHTSW-GOSISDBHSA-N 1 0 326.396 3.292 20 5 EGBDRO CC(C)(C)OC(=O)NC1(C)CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000781974740 1304896986 /nfs/dbraw/zinc/89/69/86/1304896986.db2.gz PPSITOIGMPKAKQ-UHFFFAOYSA-N 1 0 349.431 3.474 20 5 EGBDRO CC(C)[C@@H]1CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000782556097 1304987940 /nfs/dbraw/zinc/98/79/40/1304987940.db2.gz PMTPMISZGZCVHS-CYBMUJFWSA-N 1 0 337.395 3.431 20 5 EGBDRO CCC(CC)(CC(=O)OC)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783638578 1305121281 /nfs/dbraw/zinc/12/12/81/1305121281.db2.gz ROPGPYXKOFJQDO-UHFFFAOYSA-N 1 0 328.796 3.460 20 5 EGBDRO O=[N+]([O-])c1ccc(CNc2c[nH+]ccc2-n2cccn2)cc1Cl ZINC000783653116 1305123657 /nfs/dbraw/zinc/12/36/57/1305123657.db2.gz WHHKDHBWEVAWBL-UHFFFAOYSA-N 1 0 329.747 3.441 20 5 EGBDRO CC(C)(C)[C@@H]1CC[N@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000784036271 1305180274 /nfs/dbraw/zinc/18/02/74/1305180274.db2.gz SQCMZJAAUOOYSB-CQSZACIVSA-N 1 0 329.404 3.179 20 5 EGBDRO Cc1nn(C[N@@H+](C)C[C@H](C)c2nccs2)c2ccc([N+](=O)[O-])cc12 ZINC000784038208 1305182157 /nfs/dbraw/zinc/18/21/57/1305182157.db2.gz MQSBAWCZWUYCAR-NSHDSACASA-N 1 0 345.428 3.402 20 5 EGBDRO CC(=O)c1cc([N+](=O)[O-])ccc1NCCCCNc1ccccn1 ZINC000786791011 1305630358 /nfs/dbraw/zinc/63/03/58/1305630358.db2.gz VGQOBOJBOJUXDR-UHFFFAOYSA-N 1 0 328.372 3.497 20 5 EGBDRO CC1(C)CCC[C@H]1[NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000788463527 1305948334 /nfs/dbraw/zinc/94/83/34/1305948334.db2.gz HDPYMOLVLNTNAP-CYBMUJFWSA-N 1 0 325.796 3.355 20 5 EGBDRO C[C@@H]([NH2+]CCCCNc1ccccn1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788589014 1305976176 /nfs/dbraw/zinc/97/61/76/1305976176.db2.gz POKFZTHSYBTIDT-CYBMUJFWSA-N 1 0 329.404 3.115 20 5 EGBDRO Cc1c(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cccc1[N+](=O)[O-] ZINC000788774390 1306014909 /nfs/dbraw/zinc/01/49/09/1306014909.db2.gz CWUBEWHSZSGZCX-LLVKDONJSA-N 1 0 330.344 3.244 20 5 EGBDRO Cc1nnc([C@H](C)[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])[nH]1 ZINC000894772775 1309061844 /nfs/dbraw/zinc/06/18/44/1309061844.db2.gz BHNYGVYLOBYGOL-WHOFXGATSA-N 1 0 329.404 3.083 20 5 EGBDRO COc1c(O)ccc(CNc2ccc(C[NH+](C)C)c(C)c2)c1[N+](=O)[O-] ZINC000894865377 1309105943 /nfs/dbraw/zinc/10/59/43/1309105943.db2.gz HYJYQVXZEIFPEC-UHFFFAOYSA-N 1 0 345.399 3.291 20 5 EGBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000895064676 1309175544 /nfs/dbraw/zinc/17/55/44/1309175544.db2.gz BAMACWLPVZCTMG-GJZGRUSLSA-N 1 0 348.447 3.029 20 5 EGBDRO C[N@@H+]1CCN(Cc2cc(F)ccc2[N+](=O)[O-])C[C@H]1Cc1ccccc1 ZINC000792939518 1309266070 /nfs/dbraw/zinc/26/60/70/1309266070.db2.gz GSXZQIHMPUKMHJ-GOSISDBHSA-N 1 0 343.402 3.093 20 5 EGBDRO C[C@@H]1CN(C(=S)Nc2ccc([N+](=O)[O-])cc2)CC[N@@H+](C2CCC2)C1 ZINC000793294009 1309341022 /nfs/dbraw/zinc/34/10/22/1309341022.db2.gz OKYCFHJLUFZMSQ-ZDUSSCGKSA-N 1 0 348.472 3.098 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)ccc1CNC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000895479694 1309359585 /nfs/dbraw/zinc/35/95/85/1309359585.db2.gz SMSRCNKWLCPKRV-CQSZACIVSA-N 1 0 337.851 3.460 20 5 EGBDRO Cc1ccc(C2=NO[C@H](C[NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000895495597 1309370048 /nfs/dbraw/zinc/37/00/48/1309370048.db2.gz USWPIJWBFURBSG-KRWDZBQOSA-N 1 0 325.368 3.186 20 5 EGBDRO C[N@H+](Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CCC(C)(C)C1 ZINC000794688183 1309576673 /nfs/dbraw/zinc/57/66/73/1309576673.db2.gz WKTMUPPOWJUAHR-HNNXBMFYSA-N 1 0 329.404 3.321 20 5 EGBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)CCc1ccccc1[N+](=O)[O-] ZINC000796116806 1309911476 /nfs/dbraw/zinc/91/14/76/1309911476.db2.gz WLMHVWPQRGHOBI-UHFFFAOYSA-N 1 0 345.355 3.056 20 5 EGBDRO CC[NH+]1CCC(N(C)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000798389433 1310352312 /nfs/dbraw/zinc/35/23/12/1310352312.db2.gz QVUJZVHXPHDDLK-UHFFFAOYSA-N 1 0 342.237 3.278 20 5 EGBDRO Cc1cc(NCCOC2CCSCC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000897514053 1310357577 /nfs/dbraw/zinc/35/75/77/1310357577.db2.gz LMUBVKPFQMBKET-UHFFFAOYSA-N 1 0 347.440 3.197 20 5 EGBDRO C[C@H](Cc1cccnc1)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000897969920 1310532834 /nfs/dbraw/zinc/53/28/34/1310532834.db2.gz NZUDCQYTXVGOJX-OAHLLOKOSA-N 1 0 340.427 3.179 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000823112533 1320155445 /nfs/dbraw/zinc/15/54/45/1320155445.db2.gz OMXKZKPNEDRKOV-ZDUSSCGKSA-N 1 0 345.443 3.158 20 5 EGBDRO Cc1cc(Cl)c(C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000826677686 1320397563 /nfs/dbraw/zinc/39/75/63/1320397563.db2.gz MAILFMPYKVUMML-NEPJUHHUSA-N 1 0 339.823 3.159 20 5 EGBDRO CC(C)(CNC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000929350436 1328577500 /nfs/dbraw/zinc/57/75/00/1328577500.db2.gz QRYLPCDDIPIYBA-IRXDYDNUSA-N 1 0 345.443 3.079 20 5 EGBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1c1nc2ccc([N+](=O)[O-])cc2s1 ZINC000804852535 1317294111 /nfs/dbraw/zinc/29/41/11/1317294111.db2.gz KDWMBOZHXGBBTF-FZMZJTMJSA-N 1 0 332.429 3.268 20 5 EGBDRO Cc1cscc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001020056393 1317522746 /nfs/dbraw/zinc/52/27/46/1317522746.db2.gz IUABJBODXNZWKH-HDJSIYSDSA-N 1 0 345.424 3.015 20 5 EGBDRO Cc1cc(C(F)(F)F)nn1CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000903163980 1317666184 /nfs/dbraw/zinc/66/61/84/1317666184.db2.gz KBYHTBFXTPSHEM-NSHDSACASA-N 1 0 342.321 3.469 20 5 EGBDRO CC(C)c1ccc(C[NH2+][C@H]2COc3ccccc3[C@H]2O)cc1[N+](=O)[O-] ZINC000808454105 1317679860 /nfs/dbraw/zinc/67/98/60/1317679860.db2.gz MDBRGOWILBWFQM-QFBILLFUSA-N 1 0 342.395 3.302 20 5 EGBDRO [NH3+]CCN(C/C=C/c1ccc(F)cc1F)c1ccc([N+](=O)[O-])cc1 ZINC000809736394 1317884634 /nfs/dbraw/zinc/88/46/34/1317884634.db2.gz SHTRVFJFWFGLJF-OWOJBTEDSA-N 1 0 333.338 3.352 20 5 EGBDRO C[C@@H]1[C@H](C)N(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC[N@H+]1C ZINC000809970403 1317927427 /nfs/dbraw/zinc/92/74/27/1317927427.db2.gz XTEFMMVSCWMPDV-ZJUUUORDSA-N 1 0 332.231 3.426 20 5 EGBDRO CSc1cccc(C(=O)O[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000810842780 1318064238 /nfs/dbraw/zinc/06/42/38/1318064238.db2.gz ULECLVZBSUHJRA-NEPJUHHUSA-N 1 0 336.413 3.100 20 5 EGBDRO C[NH2+]Cc1cccc(NC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC000906626547 1318129022 /nfs/dbraw/zinc/12/90/22/1318129022.db2.gz GOXFNKNYRSEXEJ-SJORKVTESA-N 1 0 325.368 3.056 20 5 EGBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]C[C@@H](O)c1ccco1 ZINC000811473411 1318182653 /nfs/dbraw/zinc/18/26/53/1318182653.db2.gz YCADNWXBCQURFT-LLVKDONJSA-N 1 0 331.155 3.318 20 5 EGBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc4ccccc4c4cccnc34)C[C@@H]2C1 ZINC000812335823 1318368142 /nfs/dbraw/zinc/36/81/42/1318368142.db2.gz XJXGLNARYDOQLL-SJORKVTESA-N 1 0 345.446 3.412 20 5 EGBDRO CCC[N@H+](CC)CCNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000813469496 1318572356 /nfs/dbraw/zinc/57/23/56/1318572356.db2.gz DTPILSTYXLEMEA-UHFFFAOYSA-N 1 0 348.230 3.363 20 5 EGBDRO CCC(=O)c1ccc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000813630555 1318610890 /nfs/dbraw/zinc/61/08/90/1318610890.db2.gz NPWFXACHGKSTEH-CQSZACIVSA-N 1 0 345.443 3.498 20 5 EGBDRO CCc1ccc([C@H]2CC[N@H+](Cn3nc(C)c([N+](=O)[O-])c3C)C2)cc1 ZINC000814225206 1318703614 /nfs/dbraw/zinc/70/36/14/1318703614.db2.gz PMFKHOHOEQVCJZ-KRWDZBQOSA-N 1 0 328.416 3.418 20 5 EGBDRO Cc1csc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)c1 ZINC001022049104 1318779365 /nfs/dbraw/zinc/77/93/65/1318779365.db2.gz PVQHOGLGGZZLKK-OKILXGFUSA-N 1 0 345.424 3.015 20 5 EGBDRO COc1cccc(O[C@@H](C)C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000815584067 1319021545 /nfs/dbraw/zinc/02/15/45/1319021545.db2.gz UWDDNQBJQRSFHH-STQMWFEESA-N 1 0 345.399 3.304 20 5 EGBDRO C[C@@H]([NH2+][C@H]1CN(C)Cc2ccccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815599019 1319024217 /nfs/dbraw/zinc/02/42/17/1319024217.db2.gz IYPDDEWUXFWGNE-PXAZEXFGSA-N 1 0 326.400 3.014 20 5 EGBDRO C[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1Cl)[N@@H+]1CCC[C@H](C)C1 ZINC000816871845 1319237584 /nfs/dbraw/zinc/23/75/84/1319237584.db2.gz VKGVVNOKWNKZRG-RYUDHWBXSA-N 1 0 339.823 3.098 20 5 EGBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2Cl)C1 ZINC000816910755 1319244498 /nfs/dbraw/zinc/24/44/98/1319244498.db2.gz QRAXDZUMLFSPMU-LBPRGKRZSA-N 1 0 339.823 3.098 20 5 EGBDRO C[C@@H]1CN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C[C@H](C)N1C ZINC000818626236 1319571997 /nfs/dbraw/zinc/57/19/97/1319571997.db2.gz PUXHJTFGDOPYGL-DTORHVGOSA-N 1 0 346.214 3.066 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CC2(c3ccccc3)CCC2)c1 ZINC000818945535 1319584476 /nfs/dbraw/zinc/58/44/76/1319584476.db2.gz JFSFHBTWPJRWCF-GOSISDBHSA-N 1 0 326.396 3.340 20 5 EGBDRO COc1ccc([C@@H](C)CC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000819101764 1319635037 /nfs/dbraw/zinc/63/50/37/1319635037.db2.gz DKLCZBCHCYLXNS-IFXJQAMLSA-N 1 0 344.411 3.420 20 5 EGBDRO CCO[C@@H]1C[C@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C12CCCCC2 ZINC000819103912 1319637064 /nfs/dbraw/zinc/63/70/64/1319637064.db2.gz MLCAHUNCPOJHIP-OKZBNKHCSA-N 1 0 348.443 3.346 20 5 EGBDRO CSc1cc(C)ccc1C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819150296 1319649509 /nfs/dbraw/zinc/64/95/09/1319649509.db2.gz OUDGLFKZSRKWOV-INIZCTEOSA-N 1 0 332.425 3.448 20 5 EGBDRO COc1ccc(C[C@@H](C)C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000819192344 1319662596 /nfs/dbraw/zinc/66/25/96/1319662596.db2.gz XNKJTFWTXLCSBD-AUUYWEPGSA-N 1 0 344.411 3.105 20 5 EGBDRO CO[C@H](c1ccccc1F)[C@@H](C)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819210902 1319669225 /nfs/dbraw/zinc/66/92/25/1319669225.db2.gz ZQUPETAAZARSNN-PJSAGSTRSA-N 1 0 348.374 3.133 20 5 EGBDRO O=C(OCC[NH+]1CCCCC1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000916550114 1319670683 /nfs/dbraw/zinc/67/06/83/1319670683.db2.gz UIIUCAFSURFDEB-UHFFFAOYSA-N 1 0 334.397 3.452 20 5 EGBDRO CCC(CC)[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000819213479 1319671059 /nfs/dbraw/zinc/67/10/59/1319671059.db2.gz IZGJXNQWZJOOJT-SZMVWBNQSA-N 1 0 336.432 3.202 20 5 EGBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OCC[NH+]1CCCCC1 ZINC000916550055 1319671483 /nfs/dbraw/zinc/67/14/83/1319671483.db2.gz HYRPBUUCTOJFQT-ZDUSSCGKSA-N 1 0 338.429 3.105 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H]2CCCOc3c(F)cccc32)cc1 ZINC000819215302 1319671366 /nfs/dbraw/zinc/67/13/66/1319671366.db2.gz XNXXDQMEQPRGBN-SJORKVTESA-N 1 0 346.358 3.271 20 5 EGBDRO CC[NH+]1CCN(c2ccc(Nc3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC000916568876 1319676398 /nfs/dbraw/zinc/67/63/98/1319676398.db2.gz IKMQBDFMRALRDB-UHFFFAOYSA-N 1 0 326.400 3.480 20 5 EGBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H](O)c2ccccc2)cc(C(F)(F)F)c1 ZINC000819270435 1319685259 /nfs/dbraw/zinc/68/52/59/1319685259.db2.gz YZXLOLCEPLWYBV-OAHLLOKOSA-N 1 0 340.301 3.437 20 5 EGBDRO CSc1ccc(CC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000819282331 1319687720 /nfs/dbraw/zinc/68/77/20/1319687720.db2.gz AXRFRVUMEHJGJA-KRWDZBQOSA-N 1 0 332.425 3.182 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CC[C@@H]2CCc3ccccc32)c1 ZINC000819339208 1319702737 /nfs/dbraw/zinc/70/27/37/1319702737.db2.gz LTEHISJAHOHIDM-HNAYVOBHSA-N 1 0 326.396 3.338 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]Cc2cc(C3CC3)ccc2F)c1 ZINC000819340081 1319703070 /nfs/dbraw/zinc/70/30/70/1319703070.db2.gz XMCJPHQOCJOCTQ-SFHVURJKSA-N 1 0 330.359 3.435 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000821319004 1320006342 /nfs/dbraw/zinc/00/63/42/1320006342.db2.gz ROMZKVRKWKNBIS-INIZCTEOSA-N 1 0 345.443 3.016 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@@](C)(O)c1ccccc1 ZINC000822516280 1320092662 /nfs/dbraw/zinc/09/26/62/1320092662.db2.gz JUZQGTOKNJYZCG-LJQANCHMSA-N 1 0 344.411 3.333 20 5 EGBDRO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C[C@](C)(O)c1ccccc1 ZINC000822517454 1320093767 /nfs/dbraw/zinc/09/37/67/1320093767.db2.gz XSXOZBIOFKKYEU-RQMBKDMJSA-N 1 0 326.396 3.448 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000822655184 1320109171 /nfs/dbraw/zinc/10/91/71/1320109171.db2.gz XTWNVRSHCJGDPA-CYBMUJFWSA-N 1 0 334.420 3.145 20 5 EGBDRO Cc1ccc(-c2noc(CC3(C[NH3+])CCCCC3)n2)cc1[N+](=O)[O-] ZINC000822722248 1320117544 /nfs/dbraw/zinc/11/75/44/1320117544.db2.gz CTSYVIMRIUSQTH-UHFFFAOYSA-N 1 0 330.388 3.405 20 5 EGBDRO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000825040686 1320305846 /nfs/dbraw/zinc/30/58/46/1320305846.db2.gz SHORQCBTUZTAKF-YPMHNXCESA-N 1 0 326.780 3.070 20 5 EGBDRO CCO[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000825284019 1320323056 /nfs/dbraw/zinc/32/30/56/1320323056.db2.gz CYGHGEFFYYITGM-TZMCWYRMSA-N 1 0 343.221 3.405 20 5 EGBDRO C[S@](=O)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000826910438 1320413666 /nfs/dbraw/zinc/41/36/66/1320413666.db2.gz HWARGNQGEQXIOE-ZSMADZGOSA-N 1 0 330.837 3.028 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H]2CCCN(Cc3noc4c3COCC4)C2)cc1 ZINC000930636533 1328921381 /nfs/dbraw/zinc/92/13/81/1328921381.db2.gz HDDGGLQWXDIBPK-CQSZACIVSA-N 1 0 343.383 3.035 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+]C2(CO)C3CC4CC(C3)CC2C4)cc1F ZINC000839649069 1320950412 /nfs/dbraw/zinc/95/04/12/1320950412.db2.gz JEVJWSCWMACUFC-UHFFFAOYSA-N 1 0 334.391 3.011 20 5 EGBDRO O=[N+]([O-])c1ccc2c(cnn2C[N@@H+]2CCC[C@]3(CCSC3)C2)c1 ZINC000840145811 1321038730 /nfs/dbraw/zinc/03/87/30/1321038730.db2.gz SWRGFPFNSPDJQP-INIZCTEOSA-N 1 0 332.429 3.121 20 5 EGBDRO C[NH2+]CCC1CCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000841012109 1321199817 /nfs/dbraw/zinc/19/98/17/1321199817.db2.gz ZNNBPBTZNOGFOJ-UHFFFAOYSA-N 1 0 340.811 3.102 20 5 EGBDRO NC[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CCCCC1 ZINC000841039554 1321206970 /nfs/dbraw/zinc/20/69/70/1321206970.db2.gz TYGHOHPRCHRIAI-LJQANCHMSA-N 1 0 346.475 3.061 20 5 EGBDRO Cc1c(-c2nc([C@H]([NH3+])CC(C)C)no2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000842585372 1321404554 /nfs/dbraw/zinc/40/45/54/1321404554.db2.gz AZXJKHUJWMOBBI-LLVKDONJSA-N 1 0 349.347 3.216 20 5 EGBDRO CC(C)[C@H]([NH3+])c1noc(-c2csc(-c3cccc([N+](=O)[O-])c3)n2)n1 ZINC000843149367 1321478724 /nfs/dbraw/zinc/47/87/24/1321478724.db2.gz DCMLCRGNYSXJCG-LBPRGKRZSA-N 1 0 345.384 3.424 20 5 EGBDRO Cc1c(-c2noc(C[C@@H](C)C3CC[NH2+]CC3)n2)cccc1[N+](=O)[O-] ZINC000843238243 1321494169 /nfs/dbraw/zinc/49/41/69/1321494169.db2.gz LSLGDOKUOAZXCL-LLVKDONJSA-N 1 0 330.388 3.131 20 5 EGBDRO Cc1c(-c2noc(C[C@@H](C)[C@H]3CCC[NH2+]C3)n2)cccc1[N+](=O)[O-] ZINC000843238563 1321494473 /nfs/dbraw/zinc/49/44/73/1321494473.db2.gz UYBVSQBTRSLDAC-YPMHNXCESA-N 1 0 330.388 3.131 20 5 EGBDRO CSc1cccc(C(=O)OC[C@H]2CC[N@@H+]2C(C)(C)C)c1[N+](=O)[O-] ZINC000845730488 1321737257 /nfs/dbraw/zinc/73/72/57/1321737257.db2.gz IKKLOOGFHFCHBD-LLVKDONJSA-N 1 0 338.429 3.346 20 5 EGBDRO CC(C)(C)[N@@H+]1CC[C@H]1COC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000845741230 1321740894 /nfs/dbraw/zinc/74/08/94/1321740894.db2.gz UPLAMHGVMJMJKZ-NSHDSACASA-N 1 0 326.780 3.278 20 5 EGBDRO COc1ccccc1CNC(=[NH2+])NCc1cc([N+](=O)[O-])ccc1Cl ZINC000849086764 1322073118 /nfs/dbraw/zinc/07/31/18/1322073118.db2.gz QIDIRRGDJDYCEV-UHFFFAOYSA-N 1 0 348.790 3.071 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](C)C[C@@H](O)c1ccco1 ZINC000850443445 1322250362 /nfs/dbraw/zinc/25/03/62/1322250362.db2.gz SFZROOMXNPYBEZ-TYNCELHUSA-N 1 0 334.372 3.359 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](C)[C@@H](O)c1ccccc1 ZINC000850469534 1322254179 /nfs/dbraw/zinc/25/41/79/1322254179.db2.gz RXELHDFCMKFKMB-VEVIJQCQSA-N 1 0 330.384 3.376 20 5 EGBDRO CC1(C)OC[C@@H](CC[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)O1 ZINC000852136348 1323153789 /nfs/dbraw/zinc/15/37/89/1323153789.db2.gz WVSUZYUGGUDOLI-NVXWUHKLSA-N 1 0 334.416 3.316 20 5 EGBDRO CC(C)CC1([NH2+]CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000852683286 1323225573 /nfs/dbraw/zinc/22/55/73/1323225573.db2.gz VJUBZSTXMLEWJB-UHFFFAOYSA-N 1 0 325.796 3.355 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000931493964 1329130327 /nfs/dbraw/zinc/13/03/27/1329130327.db2.gz BKVMAQCUVIAZLF-CYBMUJFWSA-N 1 0 334.420 3.011 20 5 EGBDRO C[C@@H](CN(C)Cc1ccc([N+](=O)[O-])cc1F)NC(=O)OC(C)(C)C ZINC000860093825 1329143985 /nfs/dbraw/zinc/14/39/85/1329143985.db2.gz ILZILUHIWLSALC-NSHDSACASA-N 1 0 341.383 3.079 20 5 EGBDRO O=[N+]([O-])c1cn(C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)nc1-c1ccccn1 ZINC000853517731 1325112809 /nfs/dbraw/zinc/11/28/09/1325112809.db2.gz CMRRXTDTIHCNGR-ZFWWWQNUSA-N 1 0 327.388 3.075 20 5 EGBDRO CC(=O)N[C@@H](c1ccccc1F)[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000925307922 1325119925 /nfs/dbraw/zinc/11/99/25/1325119925.db2.gz OWQVLLMGJPWLDK-KPZWWZAWSA-N 1 0 345.374 3.089 20 5 EGBDRO O=[N+]([O-])c1cn(C[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)nc1-c1ccccn1 ZINC000853634103 1325137480 /nfs/dbraw/zinc/13/74/80/1325137480.db2.gz LFOUUMGCWZVHPK-HOCLYGCPSA-N 1 0 341.415 3.465 20 5 EGBDRO COc1cc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)c([N+](=O)[O-])cc1C ZINC000853644497 1325139975 /nfs/dbraw/zinc/13/99/75/1325139975.db2.gz OYFRJUDEABWUEO-CYBMUJFWSA-N 1 0 333.432 3.222 20 5 EGBDRO O=[N+]([O-])c1ccc(NC[C@H]2CCC[N@H+](CC3CC3)C2)c([N+](=O)[O-])c1 ZINC000853996771 1325199407 /nfs/dbraw/zinc/19/94/07/1325199407.db2.gz OEZZQFBAZYZWPW-CYBMUJFWSA-N 1 0 334.376 3.037 20 5 EGBDRO CC(C)[C@@H]([NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-])c1cnn(C)c1 ZINC000927068758 1327840353 /nfs/dbraw/zinc/84/03/53/1327840353.db2.gz VRUSKQBKNULYBZ-SJKOYZFVSA-N 1 0 334.395 3.385 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCCN2CC(F)F)cc1Cl ZINC000862468953 1329489320 /nfs/dbraw/zinc/48/93/20/1329489320.db2.gz UKFXWRGGXSQTEQ-NSHDSACASA-N 1 0 333.766 3.067 20 5 EGBDRO COCC(C)(C)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(F)F)CC1 ZINC000865890208 1329749255 /nfs/dbraw/zinc/74/92/55/1329749255.db2.gz SJYFSASRYRSNBP-UHFFFAOYSA-N 1 0 343.374 3.079 20 5 EGBDRO C[C@@H]([NH2+]C[C@@H](O)CCOCc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000932176535 1329791291 /nfs/dbraw/zinc/79/12/91/1329791291.db2.gz HNIWDIDTHFSZLT-BEFAXECRSA-N 1 0 344.411 3.213 20 5 EGBDRO CC(C)N(C(=O)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000932178860 1329791363 /nfs/dbraw/zinc/79/13/63/1329791363.db2.gz BDSDQYVKSRJDDP-CQSZACIVSA-N 1 0 333.432 3.425 20 5 EGBDRO COc1ccc(OCC[NH2+][C@H](c2ccccn2)C2CC2)c([N+](=O)[O-])c1 ZINC000932377071 1329809830 /nfs/dbraw/zinc/80/98/30/1329809830.db2.gz HDESMFQTZIEDIZ-SFHVURJKSA-N 1 0 343.383 3.118 20 5 EGBDRO CC(C)C[N@@H+](Cc1ccccn1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000932445382 1329815441 /nfs/dbraw/zinc/81/54/41/1329815441.db2.gz DVLJEKLLEURIPA-SFHVURJKSA-N 1 0 329.400 3.181 20 5 EGBDRO O=C(CC[N@H+](Cc1ccoc1)C1CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000934001537 1329939565 /nfs/dbraw/zinc/93/95/65/1329939565.db2.gz FEUHXEAHIYHKIU-UHFFFAOYSA-N 1 0 347.346 3.320 20 5 EGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1cn2ccsc2n1 ZINC000866241465 1330084217 /nfs/dbraw/zinc/08/42/17/1330084217.db2.gz CJDSXAZKVSTAKP-SNVBAGLBSA-N 1 0 334.376 3.164 20 5 EGBDRO Cc1ccccc1[C@H](CO)[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866278376 1330089521 /nfs/dbraw/zinc/08/95/21/1330089521.db2.gz YKCZPJITSXHXLQ-DYVFJYSZSA-N 1 0 332.375 3.297 20 5 EGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H](CO)[C@@H](C)c1ccccc1 ZINC000866296757 1330092244 /nfs/dbraw/zinc/09/22/44/1330092244.db2.gz FEUZARNCKORPJB-QWQRMKEZSA-N 1 0 346.402 3.419 20 5 EGBDRO C[C@@H](C[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])CC1(C)OCCO1 ZINC000866424808 1330110045 /nfs/dbraw/zinc/11/00/45/1330110045.db2.gz HIIXXLOKLPDPFJ-CABCVRRESA-N 1 0 336.432 3.295 20 5 EGBDRO O=c1[nH]c2c(cc1C[NH2+][C@H]1CCc3c1cccc3[N+](=O)[O-])CCCC2 ZINC000866642615 1330137238 /nfs/dbraw/zinc/13/72/38/1330137238.db2.gz NXFGBSITHIDMAM-KRWDZBQOSA-N 1 0 339.395 3.351 20 5 EGBDRO C[NH+](C)CCc1ccccc1NC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000867661976 1330213243 /nfs/dbraw/zinc/21/32/43/1330213243.db2.gz PJZBXGZZGCNLME-UHFFFAOYSA-N 1 0 345.374 3.019 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+]([C@@H]3CCc4c3cccc4F)C2)nc1 ZINC001324296411 1387586349 /nfs/dbraw/zinc/58/63/49/1387586349.db2.gz CRSYNPUORGCEQD-YVEFUNNKSA-N 1 0 342.374 3.303 20 5 EGBDRO CCC(CC)(CCO)[NH2+]Cc1ccc([N+](=O)[O-])cc1Br ZINC001325232782 1387919774 /nfs/dbraw/zinc/91/97/74/1387919774.db2.gz GVJUONJSZGQOTF-UHFFFAOYSA-N 1 0 345.237 3.388 20 5 EGBDRO C[NH+](C)[C@H](CC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC001325299078 1387929895 /nfs/dbraw/zinc/92/98/95/1387929895.db2.gz YMQDDRQLWCIHTM-GOSISDBHSA-N 1 0 339.395 3.130 20 5 EGBDRO F[C@H]1C[NH2+]CC[C@H]1c1nc(-c2ccc3ccc4cccnc4c3n2)no1 ZINC001205220491 1370685144 /nfs/dbraw/zinc/68/51/44/1370685144.db2.gz XWMAOZUWNKPHNF-KGLIPLIRSA-N 1 0 349.369 3.248 20 5 EGBDRO CCC(=O)c1ccc(N2CCC([NH+](CC)CC)CC2)c([N+](=O)[O-])c1 ZINC001116876713 1370992467 /nfs/dbraw/zinc/99/24/67/1370992467.db2.gz DBFLIEYJLBCGET-UHFFFAOYSA-N 1 0 333.432 3.498 20 5 EGBDRO C[C@H](C[NH+]1CCC(C)CC1)c1nnc(Cc2cccc([N+](=O)[O-])c2)o1 ZINC001117221063 1371023477 /nfs/dbraw/zinc/02/34/77/1371023477.db2.gz OCZMQGBNXYRTSS-CQSZACIVSA-N 1 0 344.415 3.404 20 5 EGBDRO CCc1ccc([C@@H](NCC[C@@H](C)[NH2+]C)c2ccc([N+](=O)[O-])cc2)o1 ZINC001118059138 1371126553 /nfs/dbraw/zinc/12/65/53/1371126553.db2.gz OJSGLFFHQHULMV-ACJLOTCBSA-N 1 0 331.416 3.427 20 5 EGBDRO CC[N@@H+]1CCC[C@H]1CNc1ncnc2c(Cl)cc([N+](=O)[O-])cc12 ZINC001118517214 1371192011 /nfs/dbraw/zinc/19/20/11/1371192011.db2.gz WDHIINGEYXMHRA-JTQLQIEISA-N 1 0 335.795 3.088 20 5 EGBDRO Cc1c(C[NH2+]C[C@@]2(O)CCC[C@@H](C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC001119237796 1371288305 /nfs/dbraw/zinc/28/83/05/1371288305.db2.gz MHXSOWLUKJMVSH-UKRRQHHQSA-N 1 0 346.349 3.476 20 5 EGBDRO CC(C)=CC(=O)NC1CC2(C1)CC([NH2+]Cc1cccc([N+](=O)[O-])c1)C2 ZINC001120571527 1371616053 /nfs/dbraw/zinc/61/60/53/1371616053.db2.gz VRFLHHCHXYTDOQ-UHFFFAOYSA-N 1 0 343.427 3.078 20 5 EGBDRO CCN(C(=O)c1cc2cc([N+](=O)[O-])ccc2s1)C1CC[NH2+]CC1 ZINC001122495612 1372259822 /nfs/dbraw/zinc/25/98/22/1372259822.db2.gz DESHVPODZUMZTK-UHFFFAOYSA-N 1 0 333.413 3.024 20 5 EGBDRO [NH3+][C@H]1CCN[C@H]1c1nc(-c2cc3ccccc3c3ccccc23)no1 ZINC001212331174 1372688792 /nfs/dbraw/zinc/68/87/92/1372688792.db2.gz NQPHJMJWRWSYEK-ZWKOTPCHSA-N 1 0 330.391 3.405 20 5 EGBDRO CC(C)(C)CCCCC(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001128044533 1373212503 /nfs/dbraw/zinc/21/25/03/1373212503.db2.gz SQRKICDMEPJCBF-UHFFFAOYSA-N 1 0 335.448 3.407 20 5 EGBDRO C[C@@H](Oc1cccc([N+](=O)[O-])c1Br)C1CC[NH2+]CC1 ZINC001218002964 1373532338 /nfs/dbraw/zinc/53/23/38/1373532338.db2.gz WHIMAYJFCGJZLR-SECBINFHSA-N 1 0 329.194 3.124 20 5 EGBDRO Cc1cc(Br)cc([N+](=O)[O-])c1O[C@@H](C)C1CC[NH2+]CC1 ZINC001218011255 1373536861 /nfs/dbraw/zinc/53/68/61/1373536861.db2.gz ZGAGOPDKJFMKME-JTQLQIEISA-N 1 0 343.221 3.433 20 5 EGBDRO O=c1oc2cc(O[C@@H]3CC[NH2+]CC[C@H]3F)ccc2c2ccccc12 ZINC001218016094 1373538151 /nfs/dbraw/zinc/53/81/51/1373538151.db2.gz OTZSEAITXUGBNB-IAGOWNOFSA-N 1 0 327.355 3.415 20 5 EGBDRO C[C@H]1CC[NH2+]CC[C@@H]1Oc1ccc2c(c1)oc1cc(O)ccc1c2=O ZINC001218030044 1373542472 /nfs/dbraw/zinc/54/24/72/1373542472.db2.gz OVXVIZNQMQUCKN-SJCJKPOMSA-N 1 0 339.391 3.419 20 5 EGBDRO Cc1cc(Br)c(OC2CC3(C2)CC[NH2+]C3)cc1[N+](=O)[O-] ZINC001218063708 1373551038 /nfs/dbraw/zinc/55/10/38/1373551038.db2.gz MQMIZYQDVKAAEO-UHFFFAOYSA-N 1 0 341.205 3.187 20 5 EGBDRO O=[N+]([O-])c1cc(-c2ccccc2)ccc1OC[C@H]1CCC2(C[NH2+]C2)O1 ZINC001218070029 1373553959 /nfs/dbraw/zinc/55/39/59/1373553959.db2.gz MMBPOMHCHUXOBK-MRXNPFEDSA-N 1 0 340.379 3.162 20 5 EGBDRO CC(C)(C)OC(=O)c1ccc([N+](=O)[O-])c(O[C@@H]2CC[C@@]23CC[NH2+]C3)c1 ZINC001218124024 1373565376 /nfs/dbraw/zinc/56/53/76/1373565376.db2.gz PHXKCEFYQJMJOQ-QAPCUYQASA-N 1 0 348.399 3.071 20 5 EGBDRO O=[N+]([O-])c1ccc(Br)cc1O[C@@H]1CCC[C@@H]2C[NH2+]C[C@@H]21 ZINC001218144642 1373568590 /nfs/dbraw/zinc/56/85/90/1373568590.db2.gz OEZZZALDZGDTQG-SUZMYJTESA-N 1 0 341.205 3.124 20 5 EGBDRO O=[N+]([O-])c1cc(Br)cc(OC2CC3(C2)CCC[NH2+]C3)c1 ZINC001218255833 1373584557 /nfs/dbraw/zinc/58/45/57/1373584557.db2.gz NUIBMTLWEKBUAX-UHFFFAOYSA-N 1 0 341.205 3.268 20 5 EGBDRO C[C@H](Oc1ccccc1N1CC[NH2+]CC1)c1ccccc1[N+](=O)[O-] ZINC001218318340 1373595139 /nfs/dbraw/zinc/59/51/39/1373595139.db2.gz UEJQJSZNXCBQOM-AWEZNQCLSA-N 1 0 327.384 3.144 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)c(O[C@@H]2C[NH2+]CCC2(F)F)cc1Cl ZINC001218447346 1373613883 /nfs/dbraw/zinc/61/38/83/1373613883.db2.gz JIABVVFGXHGYNT-SNVBAGLBSA-N 1 0 327.114 3.278 20 5 EGBDRO CC1(C)C[C@H](Oc2cc([N+](=O)[O-])cc(F)c2Br)CC[NH2+]1 ZINC001218473864 1373620488 /nfs/dbraw/zinc/62/04/88/1373620488.db2.gz AOOYGHOPYGHFPX-SECBINFHSA-N 1 0 347.184 3.406 20 5 EGBDRO CCC(C)(C)c1cc([N+](=O)[O-])c(O[C@@H]2C[C@H]3C[NH2+][C@@H]2C3)c([N+](=O)[O-])c1 ZINC001218494297 1373626326 /nfs/dbraw/zinc/62/63/26/1373626326.db2.gz NEUKXGWYGUNOPC-JVLSTEMRSA-N 1 0 349.387 3.320 20 5 EGBDRO CC[C@@]1(C(=O)n2c3ccccc3cc3c(=O)c(N)ccc2-3)CCC[NH2+]C1 ZINC001219256700 1373696041 /nfs/dbraw/zinc/69/60/41/1373696041.db2.gz WNPTWIAOUPZNIO-OAQYLSRUSA-N 1 0 349.434 3.109 20 5 EGBDRO O=C(NC1CC2(C1)CC[NH2+]CC2)c1ccnc2c1ccc1cccnc12 ZINC001219784676 1373732732 /nfs/dbraw/zinc/73/27/32/1373732732.db2.gz JGKHCMZGUVFTOK-UHFFFAOYSA-N 1 0 346.434 3.045 20 5 EGBDRO O=[N+]([O-])c1ccnc(Cl)c1OC1CCN(c2cc[nH+]cc2)CC1 ZINC001225432004 1375109621 /nfs/dbraw/zinc/10/96/21/1375109621.db2.gz XOESCZMRMUBZNZ-UHFFFAOYSA-N 1 0 334.763 3.086 20 5 EGBDRO O=[N+]([O-])c1ccnc(Cl)c1O[C@H]1CCN(Cc2ccccc2)C1 ZINC001225432205 1375109668 /nfs/dbraw/zinc/10/96/68/1375109668.db2.gz FADWAZVRQYOTDR-ZDUSSCGKSA-N 1 0 333.775 3.297 20 5 EGBDRO Cc1cc(OC2CC[NH+](Cc3ccccc3)CC2)ncc1[N+](=O)[O-] ZINC001225657496 1375140066 /nfs/dbraw/zinc/14/00/66/1375140066.db2.gz IWVWFURCQYCBBK-UHFFFAOYSA-N 1 0 327.384 3.342 20 5 EGBDRO CCOC(=O)c1c(C)n(C)c2ccc(O[C@@H](C)C[N+](C)(C)C)cc21 ZINC001226039613 1375193529 /nfs/dbraw/zinc/19/35/29/1375193529.db2.gz SZRXEQWOSRPWAG-ZDUSSCGKSA-N 1 0 333.452 3.137 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1O[C@@H]1CC[N@@H+]([C@H](C)c2ccccn2)C1 ZINC001227188917 1375404863 /nfs/dbraw/zinc/40/48/63/1375404863.db2.gz ZNQMXHSWTMQGIW-UKRRQHHQSA-N 1 0 343.383 3.213 20 5 EGBDRO Cc1ccc(O[C@@H]2CCC[N@@H+]([C@H](C)c3ccccn3)C2)c([N+](=O)[O-])n1 ZINC001227223906 1375408986 /nfs/dbraw/zinc/40/89/86/1375408986.db2.gz QXNSVEBSLWJKSC-HUUCEWRRSA-N 1 0 342.399 3.298 20 5 EGBDRO CC(C)[NH+]1CCC(Oc2nc(C(F)(F)F)ccc2[N+](=O)[O-])CC1 ZINC001227243281 1375411295 /nfs/dbraw/zinc/41/12/95/1375411295.db2.gz IWPGMIGZZFPNIO-UHFFFAOYSA-N 1 0 333.310 3.260 20 5 EGBDRO COC(=O)c1cccc(OC2CC[NH+](C(C)(C)C)CC2)c1[N+](=O)[O-] ZINC001227896872 1375488378 /nfs/dbraw/zinc/48/83/78/1375488378.db2.gz KNGBLZBMKOZQMX-UHFFFAOYSA-N 1 0 336.388 3.023 20 5 EGBDRO O=[N+]([O-])c1ccc(O[C@H]2CC[N@H+](Cc3ccccc3)C2)c(Cl)n1 ZINC001229913509 1375917990 /nfs/dbraw/zinc/91/79/90/1375917990.db2.gz ZENOCFJAUIULFS-ZDUSSCGKSA-N 1 0 333.775 3.297 20 5 EGBDRO C[N@@H+]1CCC[C@@H](Oc2c(Br)c(F)ccc2[N+](=O)[O-])CC1 ZINC001230684482 1376126169 /nfs/dbraw/zinc/12/61/69/1376126169.db2.gz LEFNLLSHXNJMDQ-SECBINFHSA-N 1 0 347.184 3.360 20 5 EGBDRO C[N@@H+]1CCC[C@@H]2CN(Cc3ccc4ccc5cccnc5c4n3)C[C@@H]21 ZINC001232226819 1376420028 /nfs/dbraw/zinc/42/00/28/1376420028.db2.gz YNBNDPZMDQWAQR-MJGOQNOKSA-N 1 0 332.451 3.309 20 5 EGBDRO O=C(CC1CCCCC1)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001154406703 1380271343 /nfs/dbraw/zinc/27/13/43/1380271343.db2.gz LMPVIKMRSOTYAN-UHFFFAOYSA-N 1 0 339.461 3.223 20 5 EGBDRO O=[N+]([O-])c1ccc2c(ccnc2N[C@@H]2C[NH2+]Cc3ccsc32)c1 ZINC001155570622 1380469607 /nfs/dbraw/zinc/46/96/07/1380469607.db2.gz NVMHBWZLKYWNRK-CQSZACIVSA-N 1 0 326.381 3.461 20 5 EGBDRO CC(C)Oc1nc(NCc2cccc(C[NH+](C)C)c2)ccc1[N+](=O)[O-] ZINC001156052169 1380518437 /nfs/dbraw/zinc/51/84/37/1380518437.db2.gz PWKDNGMAEVXGJO-UHFFFAOYSA-N 1 0 344.415 3.451 20 5 EGBDRO C[N@@H+]1CCC[C@H](CCNC(F)(F)c2cc([N+](=O)[O-])cnc2Cl)C1 ZINC001156378305 1380567950 /nfs/dbraw/zinc/56/79/50/1380567950.db2.gz LLHOVWXJFGOQNT-SNVBAGLBSA-N 1 0 348.781 3.014 20 5 EGBDRO Cc1c(C)c(NCC2C[NH+](Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC001156399034 1380571360 /nfs/dbraw/zinc/57/13/60/1380571360.db2.gz NTYCQAGTFCRLDI-UHFFFAOYSA-N 1 0 326.400 3.151 20 5 EGBDRO CC(C)Oc1nc(N2C(C)(C)CC([NH3+])CC2(C)C)ccc1[N+](=O)[O-] ZINC001156775589 1380632883 /nfs/dbraw/zinc/63/28/83/1380632883.db2.gz XASZRTLOCLNQQB-UHFFFAOYSA-N 1 0 336.436 3.262 20 5 EGBDRO O=C(NCCC[NH2+]Cc1ccccc1[N+](=O)[O-])C1=CCCCCC1 ZINC001157048761 1380760833 /nfs/dbraw/zinc/76/08/33/1380760833.db2.gz OCSUWWYICQPFLQ-UHFFFAOYSA-N 1 0 331.416 3.081 20 5 EGBDRO O=[N+]([O-])c1cnc(N(Cc2ccccc2)[C@@H]2CCC[NH2+]C2)c(Cl)c1 ZINC001157426430 1380882833 /nfs/dbraw/zinc/88/28/33/1380882833.db2.gz QYKNZYMMKDKHEH-CQSZACIVSA-N 1 0 346.818 3.402 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(N2CCC(C)([NH+]3CCCC3)CC2)nc1Cl ZINC001157657507 1380991329 /nfs/dbraw/zinc/99/13/29/1380991329.db2.gz DUKGZGFYRXKGTO-UHFFFAOYSA-N 1 0 338.839 3.406 20 5 EGBDRO C[C@H]1[C@H]([NH3+])CCCN1c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC001157748114 1381020833 /nfs/dbraw/zinc/02/08/33/1381020833.db2.gz SOOVWQPJJWGPQT-SMDDNHRTSA-N 1 0 330.363 3.112 20 5 EGBDRO CC1(C)C[C@@H](Nc2cc([N+](=O)[O-])c3cc[nH]c3n2)C[C@](C)(C[NH3+])C1 ZINC001158263966 1381177475 /nfs/dbraw/zinc/17/74/75/1381177475.db2.gz HLABUMQFLXVZFY-DIFFPNOSSA-N 1 0 331.420 3.427 20 5 EGBDRO COc1cc(C)nc(N[C@@H]2CC(C)(C)C[C@](C)(C[NH3+])C2)c1[N+](=O)[O-] ZINC001158269130 1381179191 /nfs/dbraw/zinc/17/91/91/1381179191.db2.gz QVXDBJMPHSRINO-SJKOYZFVSA-N 1 0 336.436 3.262 20 5 EGBDRO C[NH+]1CCC(N(c2cc([N+](=O)[O-])cc(Cl)n2)C2CCCC2)CC1 ZINC001158485798 1381263534 /nfs/dbraw/zinc/26/35/34/1381263534.db2.gz VCJLWACRGNYXHJ-UHFFFAOYSA-N 1 0 338.839 3.486 20 5 EGBDRO Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1ncc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001158731346 1381374256 /nfs/dbraw/zinc/37/42/56/1381374256.db2.gz WVJVSWOLKZMCMW-ZDUSSCGKSA-N 1 0 343.343 3.138 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1Nc1cccc(CN2CC[NH2+]CC2)c1 ZINC001159631936 1381854576 /nfs/dbraw/zinc/85/45/76/1381854576.db2.gz YBYIOFUDLRKVNE-UHFFFAOYSA-N 1 0 326.400 3.052 20 5 EGBDRO O=[N+]([O-])c1ccc(Nc2ccccc2N2CC[NH2+]CC2)c(Cl)c1 ZINC001159813773 1381908707 /nfs/dbraw/zinc/90/87/07/1381908707.db2.gz FQUPUBGSPORWJU-UHFFFAOYSA-N 1 0 332.791 3.401 20 5 EGBDRO O=[N+]([O-])/C=C/c1ccc(Nc2ccc(O[C@H]3CC[NH2+]C3)cc2)cc1 ZINC001159919258 1381936486 /nfs/dbraw/zinc/93/64/86/1381936486.db2.gz KFFVOQUJBPYUPA-KSEUIEODSA-N 1 0 325.368 3.418 20 5 EGBDRO COc1ccc(Nc2c(F)cccc2N2CC[C@@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC001160071944 1381989064 /nfs/dbraw/zinc/98/90/64/1381989064.db2.gz KIILFCLTCMAUPI-LLVKDONJSA-N 1 0 346.362 3.024 20 5 EGBDRO O=[N+]([O-])/C=C/c1ccc(Nc2ccccc2CN2CC[NH2+]CC2)cc1 ZINC001160297240 1382066136 /nfs/dbraw/zinc/06/61/36/1382066136.db2.gz SLPWTQJQEXYTAE-FMIVXFBMSA-N 1 0 338.411 3.083 20 5 EGBDRO COc1cc(-n2cc(C(C)(C)C[NH3+])c3ccccc32)ncc1[N+](=O)[O-] ZINC001160843192 1382214462 /nfs/dbraw/zinc/21/44/62/1382214462.db2.gz SEONCILSXIWCTN-UHFFFAOYSA-N 1 0 340.383 3.179 20 5 EGBDRO O=[N+]([O-])c1c(Cl)cc(Cl)nc1N[C@H]1CC[N@@H+](C2CCC2)C1 ZINC001161177451 1382326342 /nfs/dbraw/zinc/32/63/42/1382326342.db2.gz PCXUHJLCBMAYIM-QMMMGPOBSA-N 1 0 331.203 3.335 20 5 EGBDRO [NH3+]Cc1cc(Br)ccc1Nc1ncc(F)cc1[N+](=O)[O-] ZINC001161852187 1382529239 /nfs/dbraw/zinc/52/92/39/1382529239.db2.gz DVVOITFFPDYPAR-UHFFFAOYSA-N 1 0 341.140 3.094 20 5 EGBDRO O=[N+]([O-])c1cc2c(cc1NCc1cnccc1C(F)(F)F)C[NH2+]C2 ZINC001162292396 1382724129 /nfs/dbraw/zinc/72/41/29/1382724129.db2.gz UZXPHVFCUDIQPC-UHFFFAOYSA-N 1 0 338.289 3.224 20 5 EGBDRO Cc1ccc(-c2ccc(N[C@]3(C)CCC[N@@H+](C)C3)nn2)cc1[N+](=O)[O-] ZINC001162337893 1382734088 /nfs/dbraw/zinc/73/40/88/1382734088.db2.gz VNSSJSGCZCCPEM-GOSISDBHSA-N 1 0 341.415 3.256 20 5 EGBDRO CC(C)N(C(C)(C)C[NH3+])C(F)(F)c1cc([N+](=O)[O-])cnc1Cl ZINC001163187447 1382987916 /nfs/dbraw/zinc/98/79/16/1382987916.db2.gz ZOPIFQYWVHQNOX-UHFFFAOYSA-N 1 0 336.770 3.140 20 5 EGBDRO CC(C)CC(=O)NCCC1(C[NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC001163201382 1382992223 /nfs/dbraw/zinc/99/22/23/1382992223.db2.gz FKXDLZQMJBOUIQ-UHFFFAOYSA-N 1 0 339.461 3.079 20 5 EGBDRO c1ccc2cc3c(cc2c1)ncnc3NC[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001163277870 1383012071 /nfs/dbraw/zinc/01/20/71/1383012071.db2.gz HPDATEBUHDWFOU-VFNWGFHPSA-N 1 0 348.450 3.354 20 5 EGBDRO C[N@@H+]1CCN(c2ncnc3cccc([N+](=O)[O-])c32)[C@@H](c2ccccc2)C1 ZINC001163674788 1383102628 /nfs/dbraw/zinc/10/26/28/1383102628.db2.gz QYSBKJNLLQIBQN-QGZVFWFLSA-N 1 0 349.394 3.031 20 5 EGBDRO C[C@]1(C[NH3+])CCCN(C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)CC1 ZINC001164247060 1383170998 /nfs/dbraw/zinc/17/09/98/1383170998.db2.gz HDILJORAWCVSSM-ZDUSSCGKSA-N 1 0 348.781 3.143 20 5 EGBDRO C[C@@]1(C[NH3+])CCCN(c2cc([N+](=O)[O-])cc3c(Cl)ncnc32)CC1 ZINC001164250486 1383171279 /nfs/dbraw/zinc/17/12/79/1383171279.db2.gz OZWOBOQKFRZTMD-MRXNPFEDSA-N 1 0 349.822 3.147 20 5 EGBDRO CC(C)(C)[NH+]1CCN(c2nc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC001165090975 1383226910 /nfs/dbraw/zinc/22/69/10/1383226910.db2.gz JLDXYZVMVHEYAZ-UHFFFAOYSA-N 1 0 333.219 3.217 20 5 EGBDRO C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2F)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC001165200808 1383246484 /nfs/dbraw/zinc/24/64/84/1383246484.db2.gz HWOVPEYFYOGJAP-KGLIPLIRSA-N 1 0 344.390 3.228 20 5 EGBDRO CCCC(CCC)C(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001165309870 1383271244 /nfs/dbraw/zinc/27/12/44/1383271244.db2.gz KRAWZLZXLIRXTF-UHFFFAOYSA-N 1 0 335.448 3.407 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(N2CCCC[C@@H]2C2CC[NH2+]CC2)nc1Cl ZINC001165320052 1383272336 /nfs/dbraw/zinc/27/23/36/1383272336.db2.gz NGDZONMSFQUZID-CYBMUJFWSA-N 1 0 338.839 3.310 20 5 EGBDRO [NH3+]C1([C@@H]2CN(c3ccc4ccc5cccnc5c4n3)C[C@@H]2CF)CC1 ZINC001165430851 1383295144 /nfs/dbraw/zinc/29/51/44/1383295144.db2.gz OBTIHNSPSOTYFD-JKSUJKDBSA-N 1 0 336.414 3.296 20 5 EGBDRO [NH3+]C1([C@@H]2CN(c3ccc4ccc5cccnc5c4n3)C[C@H]2CF)CC1 ZINC001165430847 1383295172 /nfs/dbraw/zinc/29/51/72/1383295172.db2.gz OBTIHNSPSOTYFD-HZPDHXFCSA-N 1 0 336.414 3.296 20 5 EGBDRO CC1(C(=O)NCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)CCCCC1 ZINC001165761896 1383340987 /nfs/dbraw/zinc/34/09/87/1383340987.db2.gz UXBJNKTVVADTJK-UHFFFAOYSA-N 1 0 333.432 3.161 20 5 EGBDRO COc1ccc(NC[C@H](c2ccccc2)[NH+]2CCCC2)nc1[N+](=O)[O-] ZINC001166866127 1383489933 /nfs/dbraw/zinc/48/99/33/1383489933.db2.gz WYRAKWLDQITMOS-OAHLLOKOSA-N 1 0 342.399 3.247 20 5 EGBDRO C=Cc1ccc(C(=O)NCCC[NH2+]Cc2ccccc2[N+](=O)[O-])cc1 ZINC001167229885 1383570853 /nfs/dbraw/zinc/57/08/53/1383570853.db2.gz IYBOFTSWOSTGST-UHFFFAOYSA-N 1 0 339.395 3.148 20 5 EGBDRO Cc1ccc2c(ccnc2-n2ccc3cc(C[NH3+])cnc32)c1[N+](=O)[O-] ZINC001167305161 1383591327 /nfs/dbraw/zinc/59/13/27/1383591327.db2.gz QCLLHZUYBBGFDJ-UHFFFAOYSA-N 1 0 333.351 3.249 20 5 EGBDRO Cc1ccc2c(ccnc2-n2nc(C[NH3+])c3ccccc32)c1[N+](=O)[O-] ZINC001167695460 1383713754 /nfs/dbraw/zinc/71/37/54/1383713754.db2.gz KDOYUBKMIDGZPC-UHFFFAOYSA-N 1 0 333.351 3.249 20 5 EGBDRO [NH3+]Cc1cnn(-c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1 ZINC001168262181 1383856332 /nfs/dbraw/zinc/85/63/32/1383856332.db2.gz PUNBGWGOXMWXGV-UHFFFAOYSA-N 1 0 326.381 3.390 20 5 EGBDRO CC(C)(C)c1cnc(-n2cnc3ccc(C[NH3+])cc32)c([N+](=O)[O-])c1 ZINC001168841043 1384028761 /nfs/dbraw/zinc/02/87/61/1384028761.db2.gz OAAIIRFOXDVLDN-UHFFFAOYSA-N 1 0 325.372 3.085 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2cc(F)cc(Br)c2)C1 ZINC001168956371 1384071097 /nfs/dbraw/zinc/07/10/97/1384071097.db2.gz DSVQCVIDJQUERU-NOZJJQNGSA-N 1 0 331.185 3.123 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CCCc2ccccc2Br)C1 ZINC001168978784 1384077375 /nfs/dbraw/zinc/07/73/75/1384077375.db2.gz UEOLGWJLXIRHBJ-JSGCOSHPSA-N 1 0 341.249 3.417 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]C2(c3cccc(Br)c3)CC2)C1 ZINC001168980710 1384077940 /nfs/dbraw/zinc/07/79/40/1384077940.db2.gz FXDRTVQCJAEQLB-FZMZJTMJSA-N 1 0 339.233 3.473 20 5 EGBDRO C[C@H](Cc1ccccc1Br)[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168985001 1384079376 /nfs/dbraw/zinc/07/93/76/1384079376.db2.gz BYAYTJUTGSGTGL-DYEKYZERSA-N 1 0 341.249 3.415 20 5 EGBDRO Cc1c(F)cccc1CN1CCC([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168992776 1384080904 /nfs/dbraw/zinc/08/09/04/1384080904.db2.gz KOAUDPPOFGMGMX-YJBOKZPZSA-N 1 0 349.450 3.134 20 5 EGBDRO Cc1cc(-n2c(CCC[NH3+])nc3ccc(Cl)cc32)ncc1[N+](=O)[O-] ZINC001168993234 1384080970 /nfs/dbraw/zinc/08/09/70/1384080970.db2.gz GPXBBXOLYIRIEN-UHFFFAOYSA-N 1 0 345.790 3.182 20 5 EGBDRO COc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)c1OC ZINC001168996627 1384081748 /nfs/dbraw/zinc/08/17/48/1384081748.db2.gz WOHAUDYRHDOLIY-GMXVVIOVSA-N 1 0 342.823 3.453 20 5 EGBDRO COc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)c1OC ZINC001168996641 1384082317 /nfs/dbraw/zinc/08/23/17/1384082317.db2.gz WOHAUDYRHDOLIY-LOWVWBTDSA-N 1 0 342.823 3.453 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2C[C@H]3CCC[C@@]3(COc3ccccn3)C2)C1 ZINC001169023474 1384092206 /nfs/dbraw/zinc/09/22/06/1384092206.db2.gz UMZZCQYLYUMAOV-VXNCWWDNSA-N 1 0 345.443 3.008 20 5 EGBDRO C[C@H]1CCN(Cc2ccccc2)C[C@H]1[N@H+](C)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169037220 1384097147 /nfs/dbraw/zinc/09/71/47/1384097147.db2.gz REKUVUIQGXILNI-OJAHFUOMSA-N 1 0 345.487 3.274 20 5 EGBDRO COc1cccc(CC2CC[NH+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)c1 ZINC001169038598 1384097825 /nfs/dbraw/zinc/09/78/25/1384097825.db2.gz JCXDLGBLYKXKNN-ZWKOTPCHSA-N 1 0 332.444 3.395 20 5 EGBDRO COc1cccc(OCC2CC[NH+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)c1 ZINC001169038829 1384098608 /nfs/dbraw/zinc/09/86/08/1384098608.db2.gz KTYUGJXKVSIJEB-SJORKVTESA-N 1 0 348.443 3.231 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CC[C@]3(CCCN3Cc3ccccc3)C2)C1 ZINC001169042442 1384099745 /nfs/dbraw/zinc/09/97/45/1384099745.db2.gz DLVNTPDMFAGJIP-HSALFYBXSA-N 1 0 343.471 3.172 20 5 EGBDRO CC(C)=CCC/C(C)=C/CNc1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-] ZINC001169135785 1384112076 /nfs/dbraw/zinc/11/20/76/1384112076.db2.gz QTMSIWPFVREZPT-NTUHNPAUSA-N 1 0 331.420 3.176 20 5 EGBDRO CCOc1cnc(N[C@@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)c([N+](=O)[O-])c1 ZINC001169139209 1384112277 /nfs/dbraw/zinc/11/22/77/1384112277.db2.gz AQVZJIHBERDTEB-PXAZEXFGSA-N 1 0 336.436 3.344 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H](CCO)c2ccccc2)c([N+](=O)[O-])c1 ZINC001170295242 1384284799 /nfs/dbraw/zinc/28/47/99/1384284799.db2.gz BUTTUVPSWPTHRJ-KDOFPFPSSA-N 1 0 344.411 3.248 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+]CCc2cccc(O)c2)c([N+](=O)[O-])c1 ZINC001170295191 1384284801 /nfs/dbraw/zinc/28/48/01/1384284801.db2.gz AVLCCYXYAHBVJX-CYBMUJFWSA-N 1 0 330.384 3.072 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+]CCc2cc(C)ccn2)c([N+](=O)[O-])c1 ZINC001170305803 1384286894 /nfs/dbraw/zinc/28/68/94/1384286894.db2.gz PWGCHSHALNSSPW-AWEZNQCLSA-N 1 0 329.400 3.070 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+][C@H](C)CCCC(C)(C)O)c([N+](=O)[O-])c1 ZINC001170304921 1384287374 /nfs/dbraw/zinc/28/73/74/1384287374.db2.gz HXYLLSFVVIEDLB-KGLIPLIRSA-N 1 0 338.448 3.454 20 5 EGBDRO COc1ccc(C[C@@H](C)[N@H+](C)CCc2cccnc2)c([N+](=O)[O-])c1 ZINC001170345268 1384295680 /nfs/dbraw/zinc/29/56/80/1384295680.db2.gz JKEMHLYCOAPOCW-CQSZACIVSA-N 1 0 329.400 3.104 20 5 EGBDRO COc1ccc(C[C@H](C)[N@H+](C)CCc2ccncc2)c([N+](=O)[O-])c1 ZINC001170347045 1384296621 /nfs/dbraw/zinc/29/66/21/1384296621.db2.gz PRTGGEZJJVMTQT-AWEZNQCLSA-N 1 0 329.400 3.104 20 5 EGBDRO COc1ccc(C[C@@H](C)N2CC[C@H]([NH+]3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC001170347988 1384296910 /nfs/dbraw/zinc/29/69/10/1384296910.db2.gz ULAZYENIIQADKL-WBVHZDCISA-N 1 0 347.459 3.095 20 5 EGBDRO COc1ccc(C[C@@H](C)[N@@H+]2CCC[C@@H]2C(C)(C)OC)c([N+](=O)[O-])c1 ZINC001170348526 1384297655 /nfs/dbraw/zinc/29/76/55/1384297655.db2.gz YBVMOQZKJDFZGF-CXAGYDPISA-N 1 0 336.432 3.424 20 5 EGBDRO COc1ccc(C[C@@H](C)[N@@H+]2CC[C@@H](COCC3CC3)C2)c([N+](=O)[O-])c1 ZINC001170352419 1384298268 /nfs/dbraw/zinc/29/82/68/1384298268.db2.gz NFWJLUUVOARYDD-GDBMZVCRSA-N 1 0 348.443 3.283 20 5 EGBDRO CC[N@H+](Cc1ccccn1)[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170353095 1384298944 /nfs/dbraw/zinc/29/89/44/1384298944.db2.gz VSMCSYLEPWJYTD-AWEZNQCLSA-N 1 0 329.400 3.452 20 5 EGBDRO C[NH+]1C(C)(C)CC(Nc2c(Cl)cncc2[N+](=O)[O-])CC1(C)C ZINC001170451899 1384322029 /nfs/dbraw/zinc/32/20/29/1384322029.db2.gz SOODUOZPJBBNOK-UHFFFAOYSA-N 1 0 326.828 3.128 20 5 EGBDRO CC[C@@]([NH3+])(CO)Nc1cnc2c3ccccc3c3ccccc3c2n1 ZINC001170860997 1384400191 /nfs/dbraw/zinc/40/01/91/1384400191.db2.gz ZRSLXTSKWCVHPY-FQEVSTJZSA-N 1 0 332.407 3.405 20 5 EGBDRO Cc1c(F)cnc(-n2c3ccccc3c3c2C[C@H]([NH3+])CC3)c1[N+](=O)[O-] ZINC001171089642 1384443704 /nfs/dbraw/zinc/44/37/04/1384443704.db2.gz HIYBXJQKMKSWGI-LLVKDONJSA-N 1 0 340.358 3.197 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@@H](CO)Cc1ccccc1)CC2 ZINC001172895705 1384873968 /nfs/dbraw/zinc/87/39/68/1384873968.db2.gz HSAOBFIXGQSPAC-RTBURBONSA-N 1 0 340.423 3.035 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]Cc1cnc3ccccn13)CC2 ZINC001172895463 1384873981 /nfs/dbraw/zinc/87/39/81/1384873981.db2.gz DSDNYHSTBQEOCY-MRXNPFEDSA-N 1 0 336.395 3.280 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]Cc1cccc3c1OCO3)CC2 ZINC001172902388 1384875024 /nfs/dbraw/zinc/87/50/24/1384875024.db2.gz XXCNMTJQIAWEGM-INIZCTEOSA-N 1 0 340.379 3.361 20 5 EGBDRO Cc1ccnc(CC[NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)c1 ZINC001172911545 1384875889 /nfs/dbraw/zinc/87/58/89/1384875889.db2.gz JJTJIVISWVDXJB-KRWDZBQOSA-N 1 0 325.412 3.378 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1CCCC[C@@](O)(CF)C1)CC2 ZINC001172909685 1384876316 /nfs/dbraw/zinc/87/63/16/1384876316.db2.gz UXDRVWJQSLQTHH-FUHWJXTLSA-N 1 0 336.407 3.029 20 5 EGBDRO COC(=O)[C@@H]1CCC[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172911745 1384876385 /nfs/dbraw/zinc/87/63/85/1384876385.db2.gz FNXGTSRHZIIOCP-WBVHZDCISA-N 1 0 346.427 3.117 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@H+](CCO)Cc1ccccc1)CC2 ZINC001172910409 1384876458 /nfs/dbraw/zinc/87/64/58/1384876458.db2.gz ZEFOHADZUDZXKI-LJQANCHMSA-N 1 0 340.423 3.337 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]C1CCN(C3CC3)CC1)CC2 ZINC001172912953 1384876750 /nfs/dbraw/zinc/87/67/50/1384876750.db2.gz SAXNDFYRBZOKJB-MRXNPFEDSA-N 1 0 329.444 3.059 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH+]1CCC(n3cccn3)CC1)CC2 ZINC001172922637 1384879663 /nfs/dbraw/zinc/87/96/63/1384879663.db2.gz ZNEZEEJQNSNBRT-KRWDZBQOSA-N 1 0 340.427 3.376 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@@H](C)c2ccncc2)c1F ZINC001173175108 1384930822 /nfs/dbraw/zinc/93/08/22/1384930822.db2.gz KWMSGNVLOJFNNR-NEPJUHHUSA-N 1 0 333.363 3.419 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@@H](C)c2ccncc2)c1F ZINC001173175110 1384931037 /nfs/dbraw/zinc/93/10/37/1384931037.db2.gz KWMSGNVLOJFNNR-RYUDHWBXSA-N 1 0 333.363 3.419 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CCOc2ccccc2)c1F ZINC001173174844 1384931294 /nfs/dbraw/zinc/93/12/94/1384931294.db2.gz DOAGXUBRESXFHU-ZDUSSCGKSA-N 1 0 348.374 3.342 20 5 EGBDRO COc1cccc(C[NH2+][C@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])c1 ZINC001173175760 1384931550 /nfs/dbraw/zinc/93/15/50/1384931550.db2.gz SFMIIGRMVRMGJG-GFCCVEGCSA-N 1 0 348.374 3.472 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@H]2CC[C@H](OC)CC2)c1F ZINC001173188063 1384933759 /nfs/dbraw/zinc/93/37/59/1384933759.db2.gz HZFGJGGYNRZQCD-JHJVBQTASA-N 1 0 340.395 3.221 20 5 EGBDRO C[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173214676 1384937035 /nfs/dbraw/zinc/93/70/35/1384937035.db2.gz DPJYTUMVMUUUCM-CHWSQXEVSA-N 1 0 337.420 3.029 20 5 EGBDRO CC(=O)N(C)c1cccc(C[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001173213120 1384937184 /nfs/dbraw/zinc/93/71/84/1384937184.db2.gz FNKWBTUTQBBCJF-CQSZACIVSA-N 1 0 341.411 3.298 20 5 EGBDRO COc1cc(CC[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)ccc1O ZINC001173214779 1384937270 /nfs/dbraw/zinc/93/72/70/1384937270.db2.gz QCFXKTCADDFYOL-CYBMUJFWSA-N 1 0 330.384 3.072 20 5 EGBDRO COc1ccc(OC)c(CC[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001173218536 1384937604 /nfs/dbraw/zinc/93/76/04/1384937604.db2.gz KMTOUFDJQWOXLD-AWEZNQCLSA-N 1 0 344.411 3.375 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCC1CCC2(CC1)OCCO2 ZINC001173216492 1384937774 /nfs/dbraw/zinc/93/77/74/1384937774.db2.gz BWZGVLAFSCIZDF-OAHLLOKOSA-N 1 0 348.443 3.439 20 5 EGBDRO COC(=O)Cc1ccc(C[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001173217758 1384937786 /nfs/dbraw/zinc/93/77/86/1384937786.db2.gz LZHCIZANJNQUJY-AWEZNQCLSA-N 1 0 342.395 3.031 20 5 EGBDRO CC(=O)Nc1ccc(CC[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001173221922 1384938186 /nfs/dbraw/zinc/93/81/86/1384938186.db2.gz RAVOJFDFMWYSDM-AWEZNQCLSA-N 1 0 341.411 3.317 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@](O)(C(F)(F)F)[C@@H](C)C1 ZINC001173223049 1384939199 /nfs/dbraw/zinc/93/91/99/1384939199.db2.gz WWHODNKFHFHYGS-YWPYICTPSA-N 1 0 346.349 3.161 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(Oc2ccccn2)CC1 ZINC001173228135 1384939453 /nfs/dbraw/zinc/93/94/53/1384939453.db2.gz TZQXQMCAAJNKAG-OAHLLOKOSA-N 1 0 341.411 3.464 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cncn1CC1CCC1 ZINC001173225667 1384940079 /nfs/dbraw/zinc/94/00/79/1384940079.db2.gz UMPSLXLZJVPXDK-CQSZACIVSA-N 1 0 328.416 3.312 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(c2ncccn2)CC1 ZINC001173226781 1384940230 /nfs/dbraw/zinc/94/02/30/1384940230.db2.gz LHTREROZGOOVQA-AWEZNQCLSA-N 1 0 326.400 3.195 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC001173227645 1384940281 /nfs/dbraw/zinc/94/02/81/1384940281.db2.gz RQEJOBDVJKCHFV-HIFRSBDPSA-N 1 0 334.416 3.189 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cncnc1C(C)(F)F ZINC001173229815 1384940842 /nfs/dbraw/zinc/94/08/42/1384940842.db2.gz VJHOCPWVMLKVFL-LLVKDONJSA-N 1 0 336.342 3.217 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC(=O)c1cc(F)cc(F)c1 ZINC001173229526 1384940931 /nfs/dbraw/zinc/94/09/31/1384940931.db2.gz VGYBCKVQIADRCI-NSHDSACASA-N 1 0 334.322 3.277 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCc2ccccc2NC1=O ZINC001173233577 1384941324 /nfs/dbraw/zinc/94/13/24/1384941324.db2.gz JPALLEJYLCPWJT-UGSOOPFHSA-N 1 0 339.395 3.069 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCC([NH+]2CCC(F)CC2)CC1 ZINC001173232477 1384941656 /nfs/dbraw/zinc/94/16/56/1384941656.db2.gz HBCMQTMKBTZCIN-HNNXBMFYSA-N 1 0 349.450 3.424 20 5 EGBDRO CCOC(=O)[C@H]1C[C@H](C)CCN1[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173235457 1384942061 /nfs/dbraw/zinc/94/20/61/1384942061.db2.gz XFCZTQOYMIYIHZ-JKIFEVAISA-N 1 0 334.416 3.189 20 5 EGBDRO Cc1ccc(C(=O)NCCC[NH2+]Cc2csc([N+](=O)[O-])c2)cc1C ZINC001175134778 1385199985 /nfs/dbraw/zinc/19/99/85/1385199985.db2.gz RTRDTOMDESYGGQ-UHFFFAOYSA-N 1 0 347.440 3.183 20 5 EGBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC001319301219 1386050452 /nfs/dbraw/zinc/05/04/52/1386050452.db2.gz WTBVMDWNDUIVPI-RBSFLKMASA-N 1 0 331.416 3.434 20 5 EGBDRO O=C(NCCCCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C1=CCCC1 ZINC001178184425 1386153114 /nfs/dbraw/zinc/15/31/14/1386153114.db2.gz HLNFMRPFTQSMCA-UHFFFAOYSA-N 1 0 345.443 3.471 20 5 EGBDRO Cc1c([C@@H](C)[NH2+]CCC(=O)N2CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC001320668751 1386685723 /nfs/dbraw/zinc/68/57/23/1386685723.db2.gz CUIRJZOXCPGDOM-DZGCQCFKSA-N 1 0 333.432 3.202 20 5 EGBDRO CC[C@@H]([NH2+]C[C@@H](CO)CC1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC001320881471 1386747291 /nfs/dbraw/zinc/74/72/91/1386747291.db2.gz WUNNQFKOQWKTEY-MAUKXSAKSA-N 1 0 336.432 3.061 20 5 EGBDRO CC[C@H]([NH2+]C[C@H](CO)CC1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC001320881472 1386747401 /nfs/dbraw/zinc/74/74/01/1386747401.db2.gz WUNNQFKOQWKTEY-QAPCUYQASA-N 1 0 336.432 3.061 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2ncn(C[N@@H+]3CC[C@H]4CCCC[C@@H]4C3)n2)c1 ZINC001338782556 1389762415 /nfs/dbraw/zinc/76/24/15/1389762415.db2.gz RUCTVYJOHLDBEO-GDBMZVCRSA-N 1 0 341.415 3.323 20 5 EGBDRO C[C@H]1OCC[C@@]1(C)[NH2+]Cc1cc([N+](=O)[O-])ccc1Br ZINC001332990309 1390231520 /nfs/dbraw/zinc/23/15/20/1390231520.db2.gz KBTDWPWRTLQQCP-NOZJJQNGSA-N 1 0 329.194 3.014 20 5 EGBDRO CC[NH+]1CCC(N(C)c2ncnc3c(Cl)cc([N+](=O)[O-])cc32)CC1 ZINC001333671780 1390370959 /nfs/dbraw/zinc/37/09/59/1390370959.db2.gz PGNMMOGHROIJMR-UHFFFAOYSA-N 1 0 349.822 3.112 20 5 EGBDRO CC[NH+](CC)CC[C@@H](C)NC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001341281530 1390465476 /nfs/dbraw/zinc/46/54/76/1390465476.db2.gz SYFIEPVTEVETIP-KGLIPLIRSA-N 1 0 336.436 3.075 20 5 EGBDRO COc1c(O)ccc(C[NH2+]CCCCOc2ccccc2)c1[N+](=O)[O-] ZINC001334152793 1390489712 /nfs/dbraw/zinc/48/97/12/1390489712.db2.gz CCPPVKJCDAPGRP-UHFFFAOYSA-N 1 0 346.383 3.258 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1cccc2c1C[NH2+]C2 ZINC001342399894 1390608627 /nfs/dbraw/zinc/60/86/27/1390608627.db2.gz XBXUTPVUVXKLHA-UHFFFAOYSA-N 1 0 325.368 3.376 20 5 EGBDRO CCN(C(=O)c1cc2cc([N+](=O)[O-])ccc2s1)[C@@H]1CCC[NH2+]C1 ZINC001343850751 1390740135 /nfs/dbraw/zinc/74/01/35/1390740135.db2.gz FNWIXIYRDJLWMQ-CYBMUJFWSA-N 1 0 333.413 3.024 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC001345924757 1390893994 /nfs/dbraw/zinc/89/39/94/1390893994.db2.gz OGDHSAXACLJSNS-WCQYABFASA-N 1 0 336.413 3.100 20 5 EGBDRO C[C@H]1C[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])c3ccccc23)CC[N@@H+]1C ZINC001345939227 1390895401 /nfs/dbraw/zinc/89/54/01/1390895401.db2.gz MQTHVJIURBJRGA-STQMWFEESA-N 1 0 342.399 3.352 20 5 EGBDRO C[C@@H]1C[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])c3ccccc23)CC[N@@H+]1C ZINC001345939225 1390895449 /nfs/dbraw/zinc/89/54/49/1390895449.db2.gz MQTHVJIURBJRGA-OLZOCXBDSA-N 1 0 342.399 3.352 20 5 EGBDRO CC[C@@H]1C[N@H+](CC)CCN1c1ncnc2c(Cl)cc([N+](=O)[O-])cc21 ZINC001347244745 1391038181 /nfs/dbraw/zinc/03/81/81/1391038181.db2.gz VGNCGVZHJNIEPC-LLVKDONJSA-N 1 0 349.822 3.112 20 5 EGBDRO CC(C)CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001753580174 1440440022 /nfs/dbraw/zinc/44/00/22/1440440022.db2.gz WDTFAFTVBOYAOY-WKILWMFISA-N 1 0 333.432 3.158 20 5 EGBDRO CC(C)=CC(=O)NC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CCCCC1 ZINC001755346584 1440826551 /nfs/dbraw/zinc/82/65/51/1440826551.db2.gz IBMAGCDZDJJOLC-UHFFFAOYSA-N 1 0 345.443 3.470 20 5 EGBDRO CC(=O)N(CCC[NH2+]Cc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC001755536705 1440869853 /nfs/dbraw/zinc/86/98/53/1440869853.db2.gz FELHPWGDLQQABN-UHFFFAOYSA-N 1 0 341.411 3.123 20 5 EGBDRO CCc1nn(C)c(NCc2ccccc2C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000179564055 529767633 /nfs/dbraw/zinc/76/76/33/529767633.db2.gz NOHAXGJKOFKLPO-UHFFFAOYSA-N 1 0 343.431 3.099 20 5 EGBDRO C[C@@H]([NH2+]CCc1cccc(C(=O)N(C)C)c1)c1ccc([N+](=O)[O-])cc1 ZINC000178658710 232348955 /nfs/dbraw/zinc/34/89/55/232348955.db2.gz MCTOLSALESHJEX-CQSZACIVSA-N 1 0 341.411 3.190 20 5 EGBDRO Cc1nccn1C[C@H](C)C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000178696296 232385640 /nfs/dbraw/zinc/38/56/40/232385640.db2.gz SFXUOVJFCZTSGK-KDOFPFPSSA-N 1 0 342.443 3.347 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)N([C@@H](C)C2CC2)C2CC2)cc1[N+](=O)[O-] ZINC000181809368 234331440 /nfs/dbraw/zinc/33/14/40/234331440.db2.gz OOYLSBFRBBOLLM-KBPBESRZSA-N 1 0 345.443 3.343 20 5 EGBDRO CCc1noc(C2CCC([NH2+]CCc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000182632979 234700285 /nfs/dbraw/zinc/70/02/85/234700285.db2.gz WDJOHSFWWGGANZ-UHFFFAOYSA-N 1 0 344.415 3.399 20 5 EGBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000358344495 283178036 /nfs/dbraw/zinc/17/80/36/283178036.db2.gz VRRJTKKNBFEMBS-OLZOCXBDSA-N 1 0 339.411 3.074 20 5 EGBDRO Cc1ccc(C[NH2+]C2CCC(O)(c3cccnc3)CC2)cc1[N+](=O)[O-] ZINC000185689300 235724792 /nfs/dbraw/zinc/72/47/92/235724792.db2.gz DWZIDPATONPGIJ-UHFFFAOYSA-N 1 0 341.411 3.218 20 5 EGBDRO CCCN(CC[NH+]1CCCCC1)C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000342787974 283248830 /nfs/dbraw/zinc/24/88/30/283248830.db2.gz OOXNQVDQTXBCPM-UHFFFAOYSA-N 1 0 333.432 3.241 20 5 EGBDRO C[C@H](NC(=O)c1ccc([N+](=O)[O-])s1)[C@H](c1ccccc1)[NH+](C)C ZINC000187193627 236142519 /nfs/dbraw/zinc/14/25/19/236142519.db2.gz KKLVPDAKKLNHEE-XHDPSFHLSA-N 1 0 333.413 3.078 20 5 EGBDRO CC[C@@H]1C[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CCS1 ZINC000072861745 216321618 /nfs/dbraw/zinc/32/16/18/216321618.db2.gz VYIJDIJLEUQRNG-CYBMUJFWSA-N 1 0 337.445 3.059 20 5 EGBDRO C[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000194006051 240397941 /nfs/dbraw/zinc/39/79/41/240397941.db2.gz JUQMFKYKDGJYJF-MFKMUULPSA-N 1 0 325.796 3.355 20 5 EGBDRO Cc1c(CC(=O)N2CCC(CCC[NH+](C)C)CC2)cccc1[N+](=O)[O-] ZINC000133090155 223387837 /nfs/dbraw/zinc/38/78/37/223387837.db2.gz RPIRIAHZZJOVTM-UHFFFAOYSA-N 1 0 347.459 3.026 20 5 EGBDRO Cc1ccc([C@@H](C)NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000237540192 242682181 /nfs/dbraw/zinc/68/21/81/242682181.db2.gz YUFOTOKVXXPIGZ-WPXLMEDKSA-N 1 0 331.416 3.001 20 5 EGBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Cl)[NH+]1CCC(C)CC1 ZINC000078650817 217094012 /nfs/dbraw/zinc/09/40/12/217094012.db2.gz OHHNUYXQTFOWGK-LBPRGKRZSA-N 1 0 339.823 3.098 20 5 EGBDRO C[N@@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C[C@H]1CCOC1 ZINC000093839649 218251854 /nfs/dbraw/zinc/25/18/54/218251854.db2.gz HJJHTZHZJAQTLN-GFCCVEGCSA-N 1 0 333.413 3.187 20 5 EGBDRO CCN(CC)C(=O)CCC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000268788961 252240136 /nfs/dbraw/zinc/24/01/36/252240136.db2.gz COGHPHVBMZLGOY-KRWDZBQOSA-N 1 0 347.459 3.154 20 5 EGBDRO C[C@H]([NH2+][C@H]1CCN(c2ccccc2F)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000112366811 220314607 /nfs/dbraw/zinc/31/46/07/220314607.db2.gz WMZDFLMEWFYGNI-LRDDRELGSA-N 1 0 343.358 3.190 20 5 EGBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)cc1[N+](=O)[O-] ZINC000153951299 224181134 /nfs/dbraw/zinc/18/11/34/224181134.db2.gz WJTAXYZHMRESAC-BHADISHBSA-N 1 0 334.416 3.458 20 5 EGBDRO Cc1c(NC(=O)CC[NH2+]C(C)(C)c2nccs2)cccc1[N+](=O)[O-] ZINC000118847579 221196464 /nfs/dbraw/zinc/19/64/64/221196464.db2.gz PNRSGZLITSBLDL-UHFFFAOYSA-N 1 0 348.428 3.213 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C)c1ccccc1 ZINC000181377820 533223972 /nfs/dbraw/zinc/22/39/72/533223972.db2.gz WIINZZCLOYIPLY-ZDUSSCGKSA-N 1 0 343.383 3.283 20 5 EGBDRO C[N@H+](CCC1CCOCC1)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000119426147 221318424 /nfs/dbraw/zinc/31/84/24/221318424.db2.gz SGLIRASYNHOUOS-UHFFFAOYSA-N 1 0 345.399 3.498 20 5 EGBDRO C[C@@H]([NH2+]CCC(=O)N(C)C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000178291686 533369601 /nfs/dbraw/zinc/36/96/01/533369601.db2.gz FBMHDYJYFICQIE-GFCCVEGCSA-N 1 0 347.440 3.452 20 5 EGBDRO C[C@@H]([NH2+]Cc1ccnc(N2CCCC2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000131483264 533462903 /nfs/dbraw/zinc/46/29/03/533462903.db2.gz DWBXMXBOUQNPGE-CQSZACIVSA-N 1 0 326.400 3.441 20 5 EGBDRO O=C(NCCC[NH+]1CCCCC1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000028061921 140793349 /nfs/dbraw/zinc/79/33/49/140793349.db2.gz RLBHCWKFDLKSTF-UHFFFAOYSA-N 1 0 347.440 3.415 20 5 EGBDRO Cc1cc(NCC[C@H](C)[N@H+](C)Cc2ccccc2)ncc1[N+](=O)[O-] ZINC000353447575 141297819 /nfs/dbraw/zinc/29/78/19/141297819.db2.gz IRTLQGUKXIZWLA-HNNXBMFYSA-N 1 0 328.416 3.043 20 5 EGBDRO COC[C@H](C)[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000354695065 141321245 /nfs/dbraw/zinc/32/12/45/141321245.db2.gz PMJDXUSZQLHPHU-AWEZNQCLSA-N 1 0 329.400 3.487 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000173211808 144037674 /nfs/dbraw/zinc/03/76/74/144037674.db2.gz IEGZDODYBIOOBG-GJZGRUSLSA-N 1 0 347.459 3.390 20 5 EGBDRO C[C@H](C(=O)N1CCCC[C@@H]1c1ncc[nH]1)c1ccc([N+](=O)[O-])cc1F ZINC000185701040 144117540 /nfs/dbraw/zinc/11/75/40/144117540.db2.gz RQQFHBIVSKTIMD-XHDPSFHLSA-N 1 0 346.362 3.314 20 5 EGBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@]3(C2)OCc2ccccc23)c1 ZINC000186599621 144138909 /nfs/dbraw/zinc/13/89/09/144138909.db2.gz RFQVNBIPTRPJOR-LJQANCHMSA-N 1 0 340.379 3.105 20 5 EGBDRO CN1CCC[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1=O ZINC000344608505 144197939 /nfs/dbraw/zinc/19/79/39/144197939.db2.gz YIWNPSVUOQZQHS-HNNXBMFYSA-N 1 0 345.424 3.034 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCCOC[C@@H]1CCCO1 ZINC000344789428 144224876 /nfs/dbraw/zinc/22/48/76/144224876.db2.gz HOKNEVMQTPXUGQ-OTMARIDSSA-N 1 0 334.416 3.173 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](CC1CC1)C1CCC1 ZINC000361581045 144331597 /nfs/dbraw/zinc/33/15/97/144331597.db2.gz FEZRWQVQWGGUOS-UHFFFAOYSA-N 1 0 331.416 3.496 20 5 EGBDRO CC(C)(C)c1ccc(C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000364081513 144391125 /nfs/dbraw/zinc/39/11/25/144391125.db2.gz ZKYPRFRRVOPDFK-HNNXBMFYSA-N 1 0 345.443 3.203 20 5 EGBDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000116068730 152041797 /nfs/dbraw/zinc/04/17/97/152041797.db2.gz XNCBLXOWFASLNP-CYBMUJFWSA-N 1 0 343.383 3.143 20 5 EGBDRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000188441790 153016501 /nfs/dbraw/zinc/01/65/01/153016501.db2.gz UHDDQLAFJTWARY-GJZGRUSLSA-N 1 0 348.447 3.220 20 5 EGBDRO O=[N+]([O-])c1cnn(CC[NH2+]CCCc2c(Cl)cccc2Cl)c1 ZINC000193303368 153284802 /nfs/dbraw/zinc/28/48/02/153284802.db2.gz RFRFNSCYKIWNNE-UHFFFAOYSA-N 1 0 343.214 3.321 20 5 EGBDRO C[C@H]([NH2+][C@@H](C)c1ccc2c(c1)NC(=O)CO2)c1cccc([N+](=O)[O-])c1 ZINC000193903130 153311842 /nfs/dbraw/zinc/31/18/42/153311842.db2.gz QTZYLOFMMMWRIY-RYUDHWBXSA-N 1 0 341.367 3.338 20 5 EGBDRO COc1ccc(C[NH2+][C@H](C)CN(C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000311011060 154145252 /nfs/dbraw/zinc/14/52/52/154145252.db2.gz LUNLYLZHFFQGIW-OAHLLOKOSA-N 1 0 343.427 3.214 20 5 EGBDRO Cc1cc(C(=O)N[C@H](CCC[NH3+])c2ccccc2)cc([N+](=O)[O-])c1 ZINC000326510608 154184408 /nfs/dbraw/zinc/18/44/08/154184408.db2.gz BALVBKMLWRVUDX-QGZVFWFLSA-N 1 0 327.384 3.113 20 5 EGBDRO C[C@@H]1[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000336718285 154211105 /nfs/dbraw/zinc/21/11/05/154211105.db2.gz RKUQHGKJGJGGTA-CZUORRHYSA-N 1 0 331.441 3.409 20 5 EGBDRO CC[C@H]([NH2+]C[C@H](CC(C)C)N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000336885287 154230278 /nfs/dbraw/zinc/23/02/78/154230278.db2.gz DCQLFEFPMJLQFX-OALUTQOASA-N 1 0 349.475 3.382 20 5 EGBDRO [NH3+]CCN(C/C=C/c1ccc(F)c(F)c1)c1ccccc1[N+](=O)[O-] ZINC000348892858 156278619 /nfs/dbraw/zinc/27/86/19/156278619.db2.gz JTKVCCZFDXNYEJ-ONEGZZNKSA-N 1 0 333.338 3.352 20 5 EGBDRO [NH3+]CCN(Cc1coc(-c2ccccc2)n1)c1ccccc1[N+](=O)[O-] ZINC000348894689 156279379 /nfs/dbraw/zinc/27/93/79/156279379.db2.gz OSLQSARGBNWRFL-UHFFFAOYSA-N 1 0 338.367 3.215 20 5 EGBDRO COc1cc(C[NH+]2C[C@H](C)[C@@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000352628171 156388550 /nfs/dbraw/zinc/38/85/50/156388550.db2.gz JUFRWCMDEKXQOA-QWRGUYRKSA-N 1 0 344.358 3.335 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3cccc4[nH]ccc43)C2)nc1 ZINC000093534868 162015151 /nfs/dbraw/zinc/01/51/51/162015151.db2.gz SKYAGSFZLKMRDU-CQSZACIVSA-N 1 0 337.383 3.158 20 5 EGBDRO C[NH+](C)CCCOc1cccc(NC(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000110488570 162128614 /nfs/dbraw/zinc/12/86/14/162128614.db2.gz GWTXUXDVMYUXNE-UHFFFAOYSA-N 1 0 343.383 3.178 20 5 EGBDRO CC[C@H](C)[C@@](C)(O)C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000112380189 162174769 /nfs/dbraw/zinc/17/47/69/162174769.db2.gz UCENCFKNLNNIOW-BONVTDFDSA-N 1 0 332.347 3.083 20 5 EGBDRO COC(=O)CC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(C)C)C(C)C ZINC000113507846 162212563 /nfs/dbraw/zinc/21/25/63/162212563.db2.gz JJFOCXGZBZRLOR-UHFFFAOYSA-N 1 0 338.404 3.156 20 5 EGBDRO Cc1c([C@H](C)[NH2+]CCC(=O)NCc2ccccc2)cccc1[N+](=O)[O-] ZINC000129248357 162350454 /nfs/dbraw/zinc/35/04/54/162350454.db2.gz VPKDBCZMMLFRPY-HNNXBMFYSA-N 1 0 341.411 3.260 20 5 EGBDRO Cc1ccc([C@H](C)NCc2ncnn2-c2ccccc2)cc1[N+](=O)[O-] ZINC000337198826 163160520 /nfs/dbraw/zinc/16/05/20/163160520.db2.gz ZZDBMVUPUCPMLN-AWEZNQCLSA-N 1 0 337.383 3.335 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(NC[C@@H](c2cccc(F)c2)[NH+](C)C)c1 ZINC000338638901 163301240 /nfs/dbraw/zinc/30/12/40/163301240.db2.gz ZPFDJFPFWZGJJZ-KRWDZBQOSA-N 1 0 333.363 3.457 20 5 EGBDRO C[C@H](C[C@H]1CCCO1)[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000338710575 163326151 /nfs/dbraw/zinc/32/61/51/163326151.db2.gz WQTOSWKITBLNMS-CXAGYDPISA-N 1 0 344.415 3.043 20 5 EGBDRO COc1ccc(-c2ccc(C[NH2+]CC3CCOCC3)o2)c([N+](=O)[O-])c1 ZINC000338709166 163326920 /nfs/dbraw/zinc/32/69/20/163326920.db2.gz SABVVSHUETVFJB-UHFFFAOYSA-N 1 0 346.383 3.380 20 5 EGBDRO COc1ccc(-c2ccc(C[NH2+]CCN3CCCC3)o2)c([N+](=O)[O-])c1 ZINC000338716775 163330030 /nfs/dbraw/zinc/33/00/30/163330030.db2.gz SKNKCFVLISBNOG-UHFFFAOYSA-N 1 0 345.399 3.049 20 5 EGBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000354371318 166011219 /nfs/dbraw/zinc/01/12/19/166011219.db2.gz GZIPJEFGGMIKLZ-LBPRGKRZSA-N 1 0 339.823 3.243 20 5 EGBDRO C[N@H+](CCCNC(=O)c1cc(F)cc([N+](=O)[O-])c1)C1CCCCC1 ZINC000344182389 164121934 /nfs/dbraw/zinc/12/19/34/164121934.db2.gz UBZBPDVDLFDYEX-UHFFFAOYSA-N 1 0 337.395 3.118 20 5 EGBDRO C[C@H]1[C@@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCCN1C ZINC000344327202 164157424 /nfs/dbraw/zinc/15/74/24/164157424.db2.gz OKVITXHJDULZOZ-LRDDRELGSA-N 1 0 346.456 3.291 20 5 EGBDRO C[C@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](C)C1 ZINC000346226507 164359937 /nfs/dbraw/zinc/35/99/37/164359937.db2.gz XAJZBPJOBBJGHT-NWDGAFQWSA-N 1 0 339.823 3.098 20 5 EGBDRO CC(C)[NH+](CCCNC(=O)Nc1ccc([N+](=O)[O-])cc1F)C(C)C ZINC000351619707 165105895 /nfs/dbraw/zinc/10/58/95/165105895.db2.gz KSQUPFKKULJLBY-UHFFFAOYSA-N 1 0 340.399 3.364 20 5 EGBDRO O=[N+]([O-])c1cccc(N2CC[NH+](Cc3cccc4cc[nH]c43)CC2)c1 ZINC000352337115 165350925 /nfs/dbraw/zinc/35/09/25/165350925.db2.gz DQLMCJNHYUDEFN-UHFFFAOYSA-N 1 0 336.395 3.398 20 5 EGBDRO CC(C)[NH+]1CCC(N(C)c2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000352354653 165359522 /nfs/dbraw/zinc/35/95/22/165359522.db2.gz CLJSXOFKXAHKIK-UHFFFAOYSA-N 1 0 328.416 3.452 20 5 EGBDRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)c1ccco1 ZINC000359561128 167194096 /nfs/dbraw/zinc/19/40/96/167194096.db2.gz QQHLRPKZUSCZPC-ABAIWWIYSA-N 1 0 349.362 3.186 20 5 EGBDRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)c1cc(C)ccc1[N+](=O)[O-])c1ccco1 ZINC000359567270 167196390 /nfs/dbraw/zinc/19/63/90/167196390.db2.gz WTYIFLSFVUJBKK-HIFRSBDPSA-N 1 0 345.399 3.355 20 5 EGBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000359741019 167220276 /nfs/dbraw/zinc/22/02/76/167220276.db2.gz BNSGYXIXBKESQX-NSHDSACASA-N 1 0 327.812 3.098 20 5 EGBDRO NC(=O)c1ccc(C[NH+]2CCC(c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000362955827 167869432 /nfs/dbraw/zinc/86/94/32/167869432.db2.gz SKHNSIWCJXHYHX-UHFFFAOYSA-N 1 0 339.395 3.073 20 5 EGBDRO O=[N+]([O-])c1cccc(C[NH+]2CCC(O)(Cc3ccccc3F)CC2)c1 ZINC000365866758 168053545 /nfs/dbraw/zinc/05/35/45/168053545.db2.gz XZCQTDXLQOJMCY-UHFFFAOYSA-N 1 0 344.386 3.304 20 5 EGBDRO CC(C)(C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1ccccc1 ZINC000366046256 168076049 /nfs/dbraw/zinc/07/60/49/168076049.db2.gz ZYRQPFAHMXNJAK-UHFFFAOYSA-N 1 0 328.416 3.406 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC=C(c2ccco2)C1 ZINC000367158548 168186439 /nfs/dbraw/zinc/18/64/39/168186439.db2.gz SUFHNZGURONQTL-UHFFFAOYSA-N 1 0 341.367 3.224 20 5 EGBDRO CC(C)[NH+](CCCNC(=O)CCc1cccc([N+](=O)[O-])c1)C(C)C ZINC000122809145 222162280 /nfs/dbraw/zinc/16/22/80/222162280.db2.gz OXIRYBJTZCMGQP-UHFFFAOYSA-N 1 0 335.448 3.153 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000163019310 264912449 /nfs/dbraw/zinc/91/24/49/264912449.db2.gz YXAUEKZAXYHKLV-HNNXBMFYSA-N 1 0 346.431 3.289 20 5 EGBDRO CCc1ccc(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000174009557 265017463 /nfs/dbraw/zinc/01/74/63/265017463.db2.gz XNPLYKSRSMWPBN-HNNXBMFYSA-N 1 0 347.440 3.251 20 5 EGBDRO Cc1ccc([C@@H](C)NC(=O)N[C@H](C)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000175787393 265137048 /nfs/dbraw/zinc/13/70/48/265137048.db2.gz UKKFMNOKACKKEX-HUUCEWRRSA-N 1 0 348.447 3.138 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000177528404 265261196 /nfs/dbraw/zinc/26/11/96/265261196.db2.gz KEWGBOPYZQRYJH-MCIONIFRSA-N 1 0 347.415 3.052 20 5 EGBDRO C[N@H+](Cc1ccccc1)[C@@H](CNc1ncc([N+](=O)[O-])s1)C1CC1 ZINC000192537839 265975083 /nfs/dbraw/zinc/97/50/83/265975083.db2.gz BZMOWACDYPCSNS-AWEZNQCLSA-N 1 0 332.429 3.374 20 5 EGBDRO CC(C)(C)[C@@H](CCO)[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000231074590 266205722 /nfs/dbraw/zinc/20/57/22/266205722.db2.gz JCPBDMFSZSZMOI-CYBMUJFWSA-N 1 0 345.237 3.244 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC[C@H](Nc3ccccc3)C2)c1 ZINC000269680365 266338996 /nfs/dbraw/zinc/33/89/96/266338996.db2.gz XXGKDELJRNTFHR-HKUYNNGSSA-N 1 0 341.411 3.205 20 5 EGBDRO COC1(C)CC[NH+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000271690677 266707292 /nfs/dbraw/zinc/70/72/92/266707292.db2.gz FIIWSAGACWECOF-UHFFFAOYSA-N 1 0 345.399 3.293 20 5 EGBDRO C[C@@H]1CCC[N@H+](Cc2ccc(CNc3ncc([N+](=O)[O-])cn3)cc2)C1 ZINC000273679647 267082323 /nfs/dbraw/zinc/08/23/23/267082323.db2.gz YYPBYNMOJVTMSB-CQSZACIVSA-N 1 0 341.415 3.229 20 5 EGBDRO Cc1cc(NC(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000274813394 267291208 /nfs/dbraw/zinc/29/12/08/267291208.db2.gz NFUCMYQLMDGFQT-CYBMUJFWSA-N 1 0 334.420 3.097 20 5 EGBDRO Cc1c(C(=O)Nc2ccccc2CC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000275592516 267387430 /nfs/dbraw/zinc/38/74/30/267387430.db2.gz FTQQPHWCTPSYBT-UHFFFAOYSA-N 1 0 327.384 3.260 20 5 EGBDRO CC(C)(CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000276675489 267602273 /nfs/dbraw/zinc/60/22/73/267602273.db2.gz DQXCIXCKFMMCKX-UHFFFAOYSA-N 1 0 339.823 3.100 20 5 EGBDRO C[NH+](C)[C@@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000277665378 267839312 /nfs/dbraw/zinc/83/93/12/267839312.db2.gz OLJQFZLYFOGBLD-LLVKDONJSA-N 1 0 340.811 3.196 20 5 EGBDRO Cc1ccc(CN2CCC[C@H]([C@@H](O)C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000278439611 268013996 /nfs/dbraw/zinc/01/39/96/268013996.db2.gz VRGBHLUODUOPCW-GXTWGEPZSA-N 1 0 332.322 3.038 20 5 EGBDRO Cc1cnccc1OC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000278504882 268027305 /nfs/dbraw/zinc/02/73/05/268027305.db2.gz ARMXAXZESLNSPQ-UHFFFAOYSA-N 1 0 341.411 3.384 20 5 EGBDRO CC1(C)CCCC[C@H]1[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000119829747 273579056 /nfs/dbraw/zinc/57/90/56/273579056.db2.gz ALOKBHZTWKQAQI-MRXNPFEDSA-N 1 0 331.416 3.042 20 5 EGBDRO CS[C@H]1CN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C[C@@H]1[NH+](C)C ZINC000347796378 274186622 /nfs/dbraw/zinc/18/66/22/274186622.db2.gz URPMZUYVDRBLAV-STQMWFEESA-N 1 0 349.378 3.095 20 5 EGBDRO CC(C)[C@@H](O)C1(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000271895413 275239415 /nfs/dbraw/zinc/23/94/15/275239415.db2.gz TVCSMYNPGJUQMR-FUHWJXTLSA-N 1 0 332.444 3.303 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000278680395 275265016 /nfs/dbraw/zinc/26/50/16/275265016.db2.gz OSRSKPXSDDBSRH-CVEARBPZSA-N 1 0 347.459 3.149 20 5 EGBDRO CCn1nccc1C1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000278783849 275274386 /nfs/dbraw/zinc/27/43/86/275274386.db2.gz DLLAAQRTABCQJW-UHFFFAOYSA-N 1 0 344.415 3.070 20 5 EGBDRO CN(C)C(=O)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000278820916 275277911 /nfs/dbraw/zinc/27/79/11/275277911.db2.gz SMSRFCKITPQRKW-RKVPGOIHSA-N 1 0 345.443 3.209 20 5 EGBDRO CC(C)(C)c1ccc(C(=O)N2CCC[C@H](CC[NH3+])C2)cc1[N+](=O)[O-] ZINC000281901012 275586911 /nfs/dbraw/zinc/58/69/11/275586911.db2.gz HWNJICRLRQVWOB-CYBMUJFWSA-N 1 0 333.432 3.093 20 5 EGBDRO O=[N+]([O-])c1cc2c(ncnc2N2CCC([NH+]3CCCCC3)CC2)s1 ZINC000285956571 275932596 /nfs/dbraw/zinc/93/25/96/275932596.db2.gz ABQTYQTZPMHEFR-UHFFFAOYSA-N 1 0 347.444 3.054 20 5 EGBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000286416235 275996924 /nfs/dbraw/zinc/99/69/24/275996924.db2.gz QRCQXWRGGMUDJH-DGCLKSJQSA-N 1 0 341.358 3.259 20 5 EGBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1c1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000286483157 276005991 /nfs/dbraw/zinc/00/59/91/276005991.db2.gz WURNVNKBUKTJBP-BBRMVZONSA-N 1 0 326.400 3.206 20 5 EGBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(CCC[NH+](C)C)CC1 ZINC000286550120 276015659 /nfs/dbraw/zinc/01/56/59/276015659.db2.gz QBZBFZSSEZJPPK-UHFFFAOYSA-N 1 0 333.432 3.356 20 5 EGBDRO C[NH+]1CCC(Oc2ccc(CNc3ncccc3[N+](=O)[O-])cc2)CC1 ZINC000286624294 276024815 /nfs/dbraw/zinc/02/48/15/276024815.db2.gz YZWJBSSUNRHOQX-UHFFFAOYSA-N 1 0 342.399 3.075 20 5 EGBDRO Cc1ccc([C@@H](CNc2ccc(N)cc2[N+](=O)[O-])[NH+]2CCCC2)o1 ZINC000288074302 276180648 /nfs/dbraw/zinc/18/06/48/276180648.db2.gz VLMNQBIQSPKUBG-MRXNPFEDSA-N 1 0 330.388 3.327 20 5 EGBDRO CC1CC[NH+](C[C@H]2CCCN(c3cc(N)ccc3[N+](=O)[O-])C2)CC1 ZINC000193401019 276199031 /nfs/dbraw/zinc/19/90/31/276199031.db2.gz UNTGIFALJZGMRP-OAHLLOKOSA-N 1 0 332.448 3.125 20 5 EGBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)c1 ZINC000288352424 276205195 /nfs/dbraw/zinc/20/51/95/276205195.db2.gz KIKFKHFQHUJYFF-OLZOCXBDSA-N 1 0 349.456 3.016 20 5 EGBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC=C(c3cccnc3)C2)c1 ZINC000289347584 276325570 /nfs/dbraw/zinc/32/55/70/276325570.db2.gz MPCUXUHWBHQQBW-UHFFFAOYSA-N 1 0 325.368 3.158 20 5 EGBDRO Cc1nnc(CC[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])s1 ZINC000289558235 276357725 /nfs/dbraw/zinc/35/77/25/276357725.db2.gz AFGARQRXWKLEIE-UKRRQHHQSA-N 1 0 346.456 3.298 20 5 EGBDRO COCCOCc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000289602016 276364553 /nfs/dbraw/zinc/36/45/53/276364553.db2.gz DIXVQUNGVKBFAX-UHFFFAOYSA-N 1 0 330.384 3.048 20 5 EGBDRO CC[C@H]([NH2+][C@H]1COc2ccccc2[C@@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000289855339 276406795 /nfs/dbraw/zinc/40/67/95/276406795.db2.gz BKKLHOGMXQFRQB-BQFCYCMXSA-N 1 0 328.368 3.130 20 5 EGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1COc2ccccc2[C@@H]1O ZINC000290476402 276500195 /nfs/dbraw/zinc/50/01/95/276500195.db2.gz XEYILAYXTJDTRC-NRXGSXMXSA-N 1 0 342.395 3.000 20 5 EGBDRO CSC[C@@](C)(O)C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290770218 276539209 /nfs/dbraw/zinc/53/92/09/276539209.db2.gz BDANQTNBWFFWSG-LBPRGKRZSA-N 1 0 339.244 3.105 20 5 EGBDRO COc1ccc2oc(CN(CC[NH3+])c3ccccc3[N+](=O)[O-])cc2c1 ZINC000348924100 278005412 /nfs/dbraw/zinc/00/54/12/278005412.db2.gz UZPVAJQDSHLLNJ-UHFFFAOYSA-N 1 0 341.367 3.315 20 5 EGBDRO CC(C)c1ccc(C[N@@H+]2CCS[C@@H]3COCC[C@H]32)cc1[N+](=O)[O-] ZINC000252802675 278036415 /nfs/dbraw/zinc/03/64/15/278036415.db2.gz PKQOIAZSVQADOP-NVXWUHKLSA-N 1 0 336.457 3.425 20 5 EGBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000075986278 278253137 /nfs/dbraw/zinc/25/31/37/278253137.db2.gz WEIDJTUSZVVHJQ-NSHDSACASA-N 1 0 340.811 3.244 20 5 EGBDRO CC(C)(C)[S@](=O)CC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000127224285 278556510 /nfs/dbraw/zinc/55/65/10/278556510.db2.gz MAXOYDFTJMWPFU-CMJOXMDJSA-N 1 0 338.473 3.053 20 5 EGBDRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342887455 279101572 /nfs/dbraw/zinc/10/15/72/279101572.db2.gz RWJGRMXLDULNNZ-ZDUSSCGKSA-N 1 0 346.431 3.316 20 5 EGBDRO Cc1c(C(=O)N2C[C@@H]([NH+](C)C)Cc3ccccc32)cccc1[N+](=O)[O-] ZINC000067209508 280211836 /nfs/dbraw/zinc/21/18/36/280211836.db2.gz AZJNCYBVAHPMIH-HNNXBMFYSA-N 1 0 339.395 3.036 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000245528195 281021392 /nfs/dbraw/zinc/02/13/92/281021392.db2.gz QKFUOYQHTAIGCH-IRXDYDNUSA-N 1 0 347.459 3.008 20 5 EGBDRO COc1cccc(CN(CC[NH+](C)C)Cc2cccc([N+](=O)[O-])c2)c1 ZINC000349368831 295296353 /nfs/dbraw/zinc/29/63/53/295296353.db2.gz OTMIGFUCLHRFLQ-UHFFFAOYSA-N 1 0 343.427 3.167 20 5 EGBDRO C[NH+](C)Cc1cccc(NC(=O)NCCc2ccc([N+](=O)[O-])cc2)c1 ZINC000054408480 307337971 /nfs/dbraw/zinc/33/79/71/307337971.db2.gz CUSOGPASFYISMU-UHFFFAOYSA-N 1 0 342.399 3.021 20 5 EGBDRO O=[N+]([O-])c1ccc(OCCN2CC[NH+](CC3CCCCC3)CC2)cc1 ZINC000064130154 307356812 /nfs/dbraw/zinc/35/68/12/307356812.db2.gz CPUZVLAYOFTSLL-UHFFFAOYSA-N 1 0 347.459 3.172 20 5 EGBDRO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCO2 ZINC000089580971 307449983 /nfs/dbraw/zinc/44/99/83/307449983.db2.gz GTTMSBQWXWXSDC-GFCCVEGCSA-N 1 0 330.340 3.053 20 5 EGBDRO COc1ccc([C@H](CO)C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000414196681 309066174 /nfs/dbraw/zinc/06/61/74/309066174.db2.gz VTKWHRUJRCAKKO-CJNGLKHVSA-N 1 0 330.384 3.030 20 5 EGBDRO COc1ccc([C@H](CO)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000414196770 309066218 /nfs/dbraw/zinc/06/62/18/309066218.db2.gz WBUIMHXZWRUNKA-ZBFHGGJFSA-N 1 0 344.411 3.339 20 5 EGBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC(C)(C)OCC1CC1 ZINC000414236773 309068196 /nfs/dbraw/zinc/06/81/96/309068196.db2.gz GCUDPVBICNWXLG-CYBMUJFWSA-N 1 0 349.431 3.107 20 5 EGBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H](C)CC(F)(F)F ZINC000414285803 309070690 /nfs/dbraw/zinc/07/06/90/309070690.db2.gz RYOQTGDQUCWTHP-WDEREUQCSA-N 1 0 347.337 3.490 20 5 EGBDRO C[C@@H]([NH2+][C@@H]1CCN(c2ccc(F)cc2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000414313622 309072298 /nfs/dbraw/zinc/07/22/98/309072298.db2.gz KLJUKBDDOWOKGZ-SJKOYZFVSA-N 1 0 343.358 3.190 20 5 EGBDRO COc1ccc(CN2CC[NH+](C3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC000163009630 307918682 /nfs/dbraw/zinc/91/86/82/307918682.db2.gz IUUFTPSLROPVFT-UHFFFAOYSA-N 1 0 333.432 3.054 20 5 EGBDRO CC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000163347120 307921911 /nfs/dbraw/zinc/92/19/11/307921911.db2.gz WKCOTZOPSZRPTM-TZMCWYRMSA-N 1 0 335.404 3.100 20 5 EGBDRO C[C@@H]1C[C@@H]([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000245686884 307956513 /nfs/dbraw/zinc/95/65/13/307956513.db2.gz PSODRGPKJVXISR-YWVIFJGQSA-N 1 0 344.415 3.041 20 5 EGBDRO COc1cc(CN2CCC[C@@H]2CF)c([N+](=O)[O-])cc1OC(F)F ZINC000293007419 308089418 /nfs/dbraw/zinc/08/94/18/308089418.db2.gz JMNAFDHMZRDJRO-SNVBAGLBSA-N 1 0 334.294 3.139 20 5 EGBDRO CCOc1cc(C[N@@H+]2CCC[C@@](CO)(C(C)C)C2)ccc1[N+](=O)[O-] ZINC000293058624 308095166 /nfs/dbraw/zinc/09/51/66/308095166.db2.gz NJXQEYJWUALREN-GOSISDBHSA-N 1 0 336.432 3.224 20 5 EGBDRO C[C@H]([NH2+][C@@H](CN(C)C)c1ccc(F)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294381654 308215931 /nfs/dbraw/zinc/21/59/31/308215931.db2.gz RNDYPNRUBHFAHH-SJCJKPOMSA-N 1 0 346.406 3.270 20 5 EGBDRO C[C@H]([NH2+][C@H](CN(C)C)c1ccc(F)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294384001 308216251 /nfs/dbraw/zinc/21/62/51/308216251.db2.gz RNDYPNRUBHFAHH-YVEFUNNKSA-N 1 0 346.406 3.270 20 5 EGBDRO C[C@H]([NH2+]C[C@@]1(C)OCCc2sccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294415136 308218757 /nfs/dbraw/zinc/21/87/57/308218757.db2.gz UAZRUBBUKKVJOI-APPDUMDISA-N 1 0 347.440 3.377 20 5 EGBDRO Cc1nccnc1CC[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000294855937 308264654 /nfs/dbraw/zinc/26/46/54/308264654.db2.gz BQUIRUDVYRCWEQ-KRWDZBQOSA-N 1 0 326.400 3.248 20 5 EGBDRO Cc1cc(Cl)c(C(=O)NC[C@@H](C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000294898511 308269236 /nfs/dbraw/zinc/26/92/36/308269236.db2.gz RKHXYFPTNVLHJU-LLVKDONJSA-N 1 0 339.823 3.018 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(CN[C@H]3CCC[NH2+]C3)o2)c(Cl)c1 ZINC000414860000 309105931 /nfs/dbraw/zinc/10/59/31/309105931.db2.gz BWKUMGYVJIQBFD-NSHDSACASA-N 1 0 335.791 3.350 20 5 EGBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000295405896 308323507 /nfs/dbraw/zinc/32/35/07/308323507.db2.gz MOTWWWQWBZRSEJ-WBVHZDCISA-N 1 0 333.432 3.239 20 5 EGBDRO C[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296014661 308384758 /nfs/dbraw/zinc/38/47/58/308384758.db2.gz LXHGCQMVIBLRMR-KGLIPLIRSA-N 1 0 348.424 3.108 20 5 EGBDRO Cc1ccc(NC(=O)N(CCC[NH3+])CC2CCCC2)cc1[N+](=O)[O-] ZINC000414652527 309093644 /nfs/dbraw/zinc/09/36/44/309093644.db2.gz DHRVVMKGLDENNT-UHFFFAOYSA-N 1 0 334.420 3.276 20 5 EGBDRO [NH3+]C[C@H]1CCCN1Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000414659435 309094205 /nfs/dbraw/zinc/09/42/05/309094205.db2.gz MZNLUDJRMJZQBZ-OAHLLOKOSA-N 1 0 345.374 3.449 20 5 EGBDRO COc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000299396265 308672794 /nfs/dbraw/zinc/67/27/94/308672794.db2.gz KWTGEEFDUVNPLO-QWHCGFSZSA-N 1 0 343.383 3.281 20 5 EGBDRO O=[N+]([O-])c1cc(F)c(N2CC[NH+](C3CCCCC3)CC2)c(F)c1 ZINC000301369058 308698029 /nfs/dbraw/zinc/69/80/29/308698029.db2.gz RRGBVSMNNPPWFY-UHFFFAOYSA-N 1 0 325.359 3.328 20 5 EGBDRO CC(C)NC(=O)c1ccc(NCC[NH+]2CCCCCC2)c([N+](=O)[O-])c1 ZINC000301523189 308703681 /nfs/dbraw/zinc/70/36/81/308703681.db2.gz MEBGWRSOGDCDJC-UHFFFAOYSA-N 1 0 348.447 3.021 20 5 EGBDRO COc1ccccc1[C@H](CNc1ccc([N+](=O)[O-])c(C)n1)[NH+](C)C ZINC000301632394 308708210 /nfs/dbraw/zinc/70/82/10/308708210.db2.gz JRFIHALRZWSQBB-HNNXBMFYSA-N 1 0 330.388 3.022 20 5 EGBDRO CCc1nn(C)c(NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000301941957 308722582 /nfs/dbraw/zinc/72/25/82/308722582.db2.gz WNZJZALIHXERNL-HNNXBMFYSA-N 1 0 337.468 3.059 20 5 EGBDRO C[C@H](c1ccccc1)[NH+]1CCC(Nc2ncc([N+](=O)[O-])cn2)CC1 ZINC000302176400 308732106 /nfs/dbraw/zinc/73/21/06/308732106.db2.gz XEXZBHZTBLYQNB-CYBMUJFWSA-N 1 0 327.388 3.022 20 5 EGBDRO C[C@H]([NH2+]C1(CNc2ncc([N+](=O)[O-])cn2)CCCC1)c1ccccc1 ZINC000302180886 308732271 /nfs/dbraw/zinc/73/22/71/308732271.db2.gz ZOKYUXJBPUHDJE-AWEZNQCLSA-N 1 0 341.415 3.460 20 5 EGBDRO C[C@@H](NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@H]1CCC[NH2+]C1 ZINC000414847629 309105248 /nfs/dbraw/zinc/10/52/48/309105248.db2.gz FWIIMTCMRPHSSV-HIFRSBDPSA-N 1 0 329.400 3.333 20 5 EGBDRO CCCN(CC[NH+]1CCCCC1)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000342775107 308880961 /nfs/dbraw/zinc/88/09/61/308880961.db2.gz FEXUPAGHNJCKCG-UHFFFAOYSA-N 1 0 337.395 3.072 20 5 EGBDRO CCC[N@H+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])c3ncccc23)C1 ZINC000413169645 309019371 /nfs/dbraw/zinc/01/93/71/309019371.db2.gz MRUYWEMEZBEVCM-CQSZACIVSA-N 1 0 328.416 3.311 20 5 EGBDRO C[N@@H+]1CCC[C@H]2CN(c3ccc([N+](=O)[O-])c4ncccc34)CC[C@@H]21 ZINC000413204580 309021411 /nfs/dbraw/zinc/02/14/11/309021411.db2.gz PVOIVOBRUGEIKJ-ZFWWWQNUSA-N 1 0 326.400 3.064 20 5 EGBDRO O=[N+]([O-])c1cnc(NCC2CC[NH+](C3CC3)CC2)c(C(F)(F)F)c1 ZINC000413273184 309024543 /nfs/dbraw/zinc/02/45/43/309024543.db2.gz YHWXIAYIXMIZMQ-UHFFFAOYSA-N 1 0 344.337 3.295 20 5 EGBDRO CSC1(CNc2ccc([N+](=O)[O-])c3ncccc23)CC[NH+](C)CC1 ZINC000413293533 309025517 /nfs/dbraw/zinc/02/55/17/309025517.db2.gz BYEDHRBEDJVLBM-UHFFFAOYSA-N 1 0 346.456 3.382 20 5 EGBDRO C[C@@H]1CN(c2nccc3ccc([N+](=O)[O-])cc32)CC[N@@H+](C2CCC2)C1 ZINC000413299706 309025731 /nfs/dbraw/zinc/02/57/31/309025731.db2.gz IIHWMXGKRKKHOU-AWEZNQCLSA-N 1 0 340.427 3.454 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H]([NH3+])c1ccccc1CC ZINC000415063034 309117805 /nfs/dbraw/zinc/11/78/05/309117805.db2.gz GQMIXUCYJBATLL-GOSISDBHSA-N 1 0 343.427 3.346 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(CC[NH2+]C)CC1 ZINC000415761795 309143345 /nfs/dbraw/zinc/14/33/45/309143345.db2.gz LZARMXDWDJJJQK-UHFFFAOYSA-N 1 0 334.420 3.011 20 5 EGBDRO [NH3+]Cc1ccc(NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000415976380 309152422 /nfs/dbraw/zinc/15/24/22/309152422.db2.gz NGMDKDOFNVHMIF-UHFFFAOYSA-N 1 0 340.383 3.250 20 5 EGBDRO [NH3+]Cc1ccc(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000415983096 309152789 /nfs/dbraw/zinc/15/27/89/309152789.db2.gz ZBDJBOGKNXCCNJ-UHFFFAOYSA-N 1 0 340.383 3.250 20 5 EGBDRO Cc1c(CNC(=O)C[C@@H](c2ccccc2)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000416225004 309164548 /nfs/dbraw/zinc/16/45/48/309164548.db2.gz IJDYJBZFUXMWPR-SFHVURJKSA-N 1 0 341.411 3.212 20 5 EGBDRO CN(CC[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21)CC(F)(F)F ZINC000417310784 309201252 /nfs/dbraw/zinc/20/12/52/309201252.db2.gz KVGXTZCPJHDRCB-HNNXBMFYSA-N 1 0 345.365 3.446 20 5 EGBDRO CC(C)C(=O)NCCC[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417313504 309201355 /nfs/dbraw/zinc/20/13/55/309201355.db2.gz WFPPTEFGDPUCSP-QGZVFWFLSA-N 1 0 333.432 3.114 20 5 EGBDRO Cc1ccc([C@H](C)NC(=O)N[C@H](C[NH3+])C2CCCCC2)cc1[N+](=O)[O-] ZINC000417819721 309223926 /nfs/dbraw/zinc/22/39/26/309223926.db2.gz CACPEQIZFCPLRL-XJKSGUPXSA-N 1 0 348.447 3.171 20 5 EGBDRO C[NH2+]C[C@H](C)CNc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000420190605 309276865 /nfs/dbraw/zinc/27/68/65/309276865.db2.gz HAVZVSBCUBNVFL-ZDUSSCGKSA-N 1 0 327.384 3.093 20 5 EGBDRO CC[C@@H]1C[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@@H](CC)O1 ZINC000420960095 309304363 /nfs/dbraw/zinc/30/43/63/309304363.db2.gz RAUOFXHROFIBBS-HZPDHXFCSA-N 1 0 349.431 3.121 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCC[C@@H](CCO)CC3)co2)cc1 ZINC000421008692 309307222 /nfs/dbraw/zinc/30/72/22/309307222.db2.gz DQYCFLAMDRAHMZ-CQSZACIVSA-N 1 0 345.399 3.234 20 5 EGBDRO CN(Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C[C@@H]1CCC[N@@H+]1C ZINC000421411256 309323667 /nfs/dbraw/zinc/32/36/67/309323667.db2.gz QLJUCMNYWXDTAA-INIZCTEOSA-N 1 0 346.456 3.244 20 5 EGBDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000421748267 309338291 /nfs/dbraw/zinc/33/82/91/309338291.db2.gz KWZQJDAFTCACPK-OAHLLOKOSA-N 1 0 335.448 3.452 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCCCCC[NH+]1CCCC1 ZINC000421886922 309345155 /nfs/dbraw/zinc/34/51/55/309345155.db2.gz HQAFLVSGSUFUHJ-UHFFFAOYSA-N 1 0 333.432 3.208 20 5 EGBDRO CC(C)c1ccc(C(=O)N2c3ccccc3C[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000422627340 309362828 /nfs/dbraw/zinc/36/28/28/309362828.db2.gz OAIOQBUZZPHXNG-OAHLLOKOSA-N 1 0 339.395 3.248 20 5 EGBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000422898325 309375025 /nfs/dbraw/zinc/37/50/25/309375025.db2.gz LWZJDCSTRJSQPL-CQSZACIVSA-N 1 0 339.461 3.152 20 5 EGBDRO CCc1ccc([C@H](NC[C@H](C)C[NH2+]C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000423281083 309393726 /nfs/dbraw/zinc/39/37/26/309393726.db2.gz VKLQJOPWTZRGRT-FZKQIMNGSA-N 1 0 331.416 3.285 20 5 EGBDRO CCCc1nc(C)c(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)o1 ZINC000426350791 309504762 /nfs/dbraw/zinc/50/47/62/309504762.db2.gz YVTBYPNXXUKTRH-KBPBESRZSA-N 1 0 347.419 3.314 20 5 EGBDRO CSC1(CNc2c(Cl)cccc2[N+](=O)[O-])CC[NH+](C)CC1 ZINC000432172943 309654052 /nfs/dbraw/zinc/65/40/52/309654052.db2.gz BPXYUYBNHBHLLH-UHFFFAOYSA-N 1 0 329.853 3.488 20 5 EGBDRO CC(C)(C)NC(=O)CC[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433282699 309684526 /nfs/dbraw/zinc/68/45/26/309684526.db2.gz ASASTTPCURBROK-OAHLLOKOSA-N 1 0 333.432 3.212 20 5 EGBDRO CNC(=O)c1ccc(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000447535113 309981101 /nfs/dbraw/zinc/98/11/01/309981101.db2.gz CUCBQOPWTHJWIA-GOSISDBHSA-N 1 0 339.395 3.122 20 5 EGBDRO CO[C@]1(C)C[C@H]([NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1(C)C ZINC000447534494 309981177 /nfs/dbraw/zinc/98/11/77/309981177.db2.gz XSAJFHNFMKUVHA-XJIUQZFPSA-N 1 0 336.436 3.068 20 5 EGBDRO CCCC(O)(CCC)C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447538517 309981363 /nfs/dbraw/zinc/98/13/63/309981363.db2.gz CHRUIUQHHPCTTO-HUUCEWRRSA-N 1 0 338.452 3.196 20 5 EGBDRO CCCC(O)(CCC)C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447538518 309981388 /nfs/dbraw/zinc/98/13/88/309981388.db2.gz CHRUIUQHHPCTTO-LSDHHAIUSA-N 1 0 338.452 3.196 20 5 EGBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]C2CCC(F)(F)CC2)n1 ZINC000447577702 309983015 /nfs/dbraw/zinc/98/30/15/309983015.db2.gz BDFMIVCZTYMUKJ-OLZOCXBDSA-N 1 0 328.363 3.443 20 5 EGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCN(Cc2ccccc2)C1 ZINC000449063787 310034108 /nfs/dbraw/zinc/03/41/08/310034108.db2.gz NUPRNBNDIGYYLI-QFBILLFUSA-N 1 0 339.439 3.390 20 5 EGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](c1ccsc1)N(C)C ZINC000449072959 310034901 /nfs/dbraw/zinc/03/49/01/310034901.db2.gz RBUCZMKCANSJTJ-GUYCJALGSA-N 1 0 333.457 3.480 20 5 EGBDRO CC(=O)Nc1cccc(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000449079475 310035295 /nfs/dbraw/zinc/03/52/95/310035295.db2.gz ORQJAPLOHGLVFS-ZDUSSCGKSA-N 1 0 327.384 3.274 20 5 EGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCCNc1ccccn1 ZINC000449127005 310038950 /nfs/dbraw/zinc/03/89/50/310038950.db2.gz VKOOQKKRCKKKFK-HNNXBMFYSA-N 1 0 328.416 3.403 20 5 EGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCC[C@H]1n1cccn1 ZINC000449180786 310042630 /nfs/dbraw/zinc/04/26/30/310042630.db2.gz CCMZPFCGSHCPAM-QGPMSJSTSA-N 1 0 328.416 3.496 20 5 EGBDRO CC(C)n1cc2c(n1)C[C@H]([NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])CC2 ZINC000449195718 310043751 /nfs/dbraw/zinc/04/37/51/310043751.db2.gz VMKSSLKBRRCOMX-RHSMWYFYSA-N 1 0 342.443 3.450 20 5 EGBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H]2CCC[C@H]2Cc2ccc(Cl)cc2)c1 ZINC000449196696 310043799 /nfs/dbraw/zinc/04/37/99/310043799.db2.gz SLWXQGTYSATZBJ-WMLDXEAASA-N 1 0 348.834 3.446 20 5 EGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cn(C)nc1C(F)(F)F ZINC000449198311 310043910 /nfs/dbraw/zinc/04/39/10/310043910.db2.gz BBJZEVAAVIXTRK-SNVBAGLBSA-N 1 0 342.321 3.068 20 5 EGBDRO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])C12CCOCC2 ZINC000449251966 310047522 /nfs/dbraw/zinc/04/75/22/310047522.db2.gz TUEDWFSNLVIKTQ-BMGDILEWSA-N 1 0 348.443 3.090 20 5 EGBDRO COCC(COC)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000449535048 310069862 /nfs/dbraw/zinc/06/98/62/310069862.db2.gz CVZNSRWDQTWBEV-UHFFFAOYSA-N 1 0 336.413 3.074 20 5 EGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCO[C@H](c2cccnc2)C1 ZINC000449540430 310070358 /nfs/dbraw/zinc/07/03/58/310070358.db2.gz XTMSMIASGMHTMZ-BJZITVGISA-N 1 0 341.411 3.431 20 5 EGBDRO COCC1(C[NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)CCCC1 ZINC000449742283 310083636 /nfs/dbraw/zinc/08/36/36/310083636.db2.gz NZIORPLJLLUVOX-CQSZACIVSA-N 1 0 349.431 3.108 20 5 EGBDRO CC(C)[N@@H+]1CC[C@H](N(C)Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000449787351 310087195 /nfs/dbraw/zinc/08/71/95/310087195.db2.gz UWIACLNRPZEJQW-AWEZNQCLSA-N 1 0 343.374 3.111 20 5 EGBDRO O=[N+]([O-])c1cccc2c1ccnc2N1CC[NH+](C2CCCC2)CC1 ZINC000450243105 310110589 /nfs/dbraw/zinc/11/05/89/310110589.db2.gz BBJPPVAEUXUUMX-UHFFFAOYSA-N 1 0 326.400 3.208 20 5 EGBDRO O=[N+]([O-])c1ccc2c(ccnc2N2CCC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000450258886 310111472 /nfs/dbraw/zinc/11/14/72/310111472.db2.gz CJSPGXSYCQBMSW-MRXNPFEDSA-N 1 0 326.400 3.208 20 5 EGBDRO C[C@H]1CN(c2nccc3c2cccc3[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000450537230 310128852 /nfs/dbraw/zinc/12/88/52/310128852.db2.gz CCWWPYDWZLRMSW-CQSZACIVSA-N 1 0 340.427 3.454 20 5 EGBDRO CCn1ccnc1[C@H](C)Nc1cc(C)c([N+](=O)[O-])cc1C(=O)OC ZINC000450822371 310144231 /nfs/dbraw/zinc/14/42/31/310144231.db2.gz BBNLKCXEDYCCDX-NSHDSACASA-N 1 0 332.360 3.079 20 5 EGBDRO C[C@H]([NH2+]CC(=O)N(C)[C@@H](C)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000451100967 310160625 /nfs/dbraw/zinc/16/06/25/310160625.db2.gz ZSKORHHBBHIXJU-GJZGRUSLSA-N 1 0 341.411 3.465 20 5 EGBDRO CCOc1cc(C[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)ccc1[N+](=O)[O-] ZINC000451482578 310180582 /nfs/dbraw/zinc/18/05/82/310180582.db2.gz WFCAMMGAYSCNLS-IAOVAPTHSA-N 1 0 334.416 3.287 20 5 EGBDRO CCC[C@@H]([NH2+]C(C)C)C(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452857454 310245985 /nfs/dbraw/zinc/24/59/85/310245985.db2.gz QROQYNNTPAVCIM-SJLPKXTDSA-N 1 0 347.459 3.468 20 5 EGBDRO COc1ccc2c(c1)C[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)CO2 ZINC000453063617 310255418 /nfs/dbraw/zinc/25/54/18/310255418.db2.gz FBDHJYVXMDCXDN-DOMZBBRYSA-N 1 0 328.368 3.258 20 5 EGBDRO CC[C@H]([NH2+]C[C@H](O)Cc1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000453244888 310266428 /nfs/dbraw/zinc/26/64/28/310266428.db2.gz KJFKRUWYXVAQDT-MSOLQXFVSA-N 1 0 332.375 3.378 20 5 EGBDRO CC[C@H]([NH2+]C[C@@H](O)Cc1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000453244898 310266434 /nfs/dbraw/zinc/26/64/34/310266434.db2.gz KJFKRUWYXVAQDT-ROUUACIJSA-N 1 0 332.375 3.378 20 5 EGBDRO CC(C)(C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)c1ccccn1 ZINC000453298165 310269758 /nfs/dbraw/zinc/26/97/58/310269758.db2.gz WADFWZDRTJVGLM-HUUCEWRRSA-N 1 0 343.431 3.237 20 5 EGBDRO CCC(C)(C)OCC[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000453409874 310275626 /nfs/dbraw/zinc/27/56/26/310275626.db2.gz PDPZFQWWPATRRK-ZDUSSCGKSA-N 1 0 337.420 3.107 20 5 EGBDRO CCC[C@H]([NH2+][C@H]1C[C@@H]2CCCCN2C1=O)c1cccc([N+](=O)[O-])c1 ZINC000453433738 310276921 /nfs/dbraw/zinc/27/69/21/310276921.db2.gz KLQRVNPTEAYOKB-XIRDDKMYSA-N 1 0 331.416 3.179 20 5 EGBDRO C[C@@]1(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCC(=O)N1 ZINC000453594220 310283416 /nfs/dbraw/zinc/28/34/16/310283416.db2.gz WUPJSOBPHMLMDF-KRWDZBQOSA-N 1 0 345.424 3.082 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@@H+](CC)C[C@@H]1CC ZINC000455456310 310361447 /nfs/dbraw/zinc/36/14/47/310361447.db2.gz ADAILBVQPKVSJZ-AWEZNQCLSA-N 1 0 334.420 3.105 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[NH+]([C@@H](C)CC)CC1 ZINC000455474077 310362535 /nfs/dbraw/zinc/36/25/35/310362535.db2.gz UVOGUVIBQHMRQI-ZDUSSCGKSA-N 1 0 334.420 3.105 20 5 EGBDRO C[C@H](NC(=O)N(CC[NH+](C)C)C1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000458893764 310525281 /nfs/dbraw/zinc/52/52/81/310525281.db2.gz XYXJFFSTZRKWAT-AWEZNQCLSA-N 1 0 348.447 3.172 20 5 EGBDRO CCOC(=O)C1(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC000473056068 310772118 /nfs/dbraw/zinc/77/21/18/310772118.db2.gz FJWVBHMTBNYTFX-GOEBONIOSA-N 1 0 346.427 3.239 20 5 EGBDRO C[C@H]1COC(C)(C)C[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000488157876 311053530 /nfs/dbraw/zinc/05/35/30/311053530.db2.gz DHISCCFOFMVHDT-ZDUSSCGKSA-N 1 0 345.399 3.292 20 5 EGBDRO CCOc1cccc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000488752702 311078332 /nfs/dbraw/zinc/07/83/32/311078332.db2.gz OXUDYIYFNWDEBA-AWEZNQCLSA-N 1 0 333.432 3.304 20 5 EGBDRO CC(C)c1ccc(C(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000489325775 311100203 /nfs/dbraw/zinc/10/02/03/311100203.db2.gz JQRACWUCVRPMTJ-QGZVFWFLSA-N 1 0 333.432 3.130 20 5 EGBDRO CC[NH+](CC)CC1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000491335441 311174362 /nfs/dbraw/zinc/17/43/62/311174362.db2.gz OTJXBBXAJWREFX-YFHOEESVSA-N 1 0 345.443 3.188 20 5 EGBDRO CCN(CCC[NH+]1CCCC1)C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000492034152 311210846 /nfs/dbraw/zinc/21/08/46/311210846.db2.gz SSRCEHDHPGZXBZ-CLFYSBASSA-N 1 0 349.406 3.082 20 5 EGBDRO CCOc1cc(C[N@H+](CCO)CC2CCCCC2)ccc1[N+](=O)[O-] ZINC000492892426 311303798 /nfs/dbraw/zinc/30/37/98/311303798.db2.gz OOBIXDKPIWSBOC-UHFFFAOYSA-N 1 0 336.432 3.368 20 5 EGBDRO C[C@@H]([NH2+]Cc1cccc(N2CCOC2=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000493583391 311398571 /nfs/dbraw/zinc/39/85/71/311398571.db2.gz VHGNMDGHJQVOGW-CYBMUJFWSA-N 1 0 341.367 3.402 20 5 EGBDRO Cc1ccc(CN2CC[NH+](CCc3cccs3)CC2)cc1[N+](=O)[O-] ZINC000507089712 312058248 /nfs/dbraw/zinc/05/82/48/312058248.db2.gz UWFFWSNNUFUKOG-UHFFFAOYSA-N 1 0 345.468 3.325 20 5 EGBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000509527463 312119765 /nfs/dbraw/zinc/11/97/65/312119765.db2.gz QJBKULQPXFHBHZ-MRXNPFEDSA-N 1 0 347.459 3.109 20 5 EGBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)c1ccncc1F ZINC000511051955 312153801 /nfs/dbraw/zinc/15/38/01/312153801.db2.gz SWZZVDXZBRKQGI-RYUDHWBXSA-N 1 0 346.362 3.197 20 5 EGBDRO CC(C)CN(C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000514766606 312244406 /nfs/dbraw/zinc/24/44/06/312244406.db2.gz ZQHPWBTYINIQLH-HNNXBMFYSA-N 1 0 347.459 3.277 20 5 EGBDRO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(C)C ZINC000514980894 312258146 /nfs/dbraw/zinc/25/81/46/312258146.db2.gz MHHMHLVNBSRMMZ-MRXNPFEDSA-N 1 0 336.436 3.473 20 5 EGBDRO Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000515124378 312266490 /nfs/dbraw/zinc/26/64/90/312266490.db2.gz YPXSIXWVFSPXFZ-HUUCEWRRSA-N 1 0 344.415 3.023 20 5 EGBDRO Cc1cc(N2CC[NH+](CCc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000515541078 312288257 /nfs/dbraw/zinc/28/82/57/312288257.db2.gz LOCMYGCHJLCDFG-UHFFFAOYSA-N 1 0 325.412 3.268 20 5 EGBDRO Cc1cccc(NC(=O)C[C@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000532485250 313805701 /nfs/dbraw/zinc/80/57/01/313805701.db2.gz AEAIYLVMRWRERP-HNNXBMFYSA-N 1 0 341.411 3.453 20 5 EGBDRO CCC[C@@H]([NH2+]CCC(=O)Nc1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC000537511442 314185961 /nfs/dbraw/zinc/18/59/61/314185961.db2.gz GNBYDFFQKWYLOC-MRXNPFEDSA-N 1 0 342.399 3.449 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000538761287 314274176 /nfs/dbraw/zinc/27/41/76/314274176.db2.gz VGAZJNQWSURRIT-WFASDCNBSA-N 1 0 347.459 3.370 20 5 EGBDRO COc1ccc(NC(=O)CC[N@H+](C)C2CCCCC2)cc1[N+](=O)[O-] ZINC000548391911 315003461 /nfs/dbraw/zinc/00/34/61/315003461.db2.gz IYYCEYOIYIAZGU-UHFFFAOYSA-N 1 0 335.404 3.197 20 5 EGBDRO CC(C)(C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000550774966 315134277 /nfs/dbraw/zinc/13/42/77/315134277.db2.gz GCXNTQGHEICXPO-CQSZACIVSA-N 1 0 345.443 3.006 20 5 EGBDRO C[C@H]1C[C@@H](c2ccccc2)C[C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C1 ZINC000552923092 315237645 /nfs/dbraw/zinc/23/76/45/315237645.db2.gz HKQNOCOBMDCWTF-UAGQMJEPSA-N 1 0 328.416 3.353 20 5 EGBDRO C[C@H]([NH2+][C@H]1CCC1(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000554406665 315316411 /nfs/dbraw/zinc/31/64/11/315316411.db2.gz DRUACKLAMMNCMZ-ZANVPECISA-N 1 0 325.796 3.353 20 5 EGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCCCNc1ccccn1 ZINC000564668840 316185848 /nfs/dbraw/zinc/18/58/48/316185848.db2.gz XFMXTOIFWAYVMN-MRXNPFEDSA-N 1 0 326.400 3.459 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000565510909 316332752 /nfs/dbraw/zinc/33/27/52/316332752.db2.gz KFTIOKSLCNCBRC-KBPBESRZSA-N 1 0 348.447 3.399 20 5 EGBDRO Cc1cc(N2CCC(n3ccc([N+](=O)[O-])n3)CC2)c2ccccc2[nH+]1 ZINC000567990789 316706545 /nfs/dbraw/zinc/70/65/45/316706545.db2.gz SPDDYMGKAGEMKY-UHFFFAOYSA-N 1 0 337.383 3.489 20 5 EGBDRO COC(=O)c1ccc(C[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)o1 ZINC000568642829 316803124 /nfs/dbraw/zinc/80/31/24/316803124.db2.gz CKQLDNJXUZNCGX-WQLSENKSSA-N 1 0 330.340 3.168 20 5 EGBDRO COc1ccc(OCC[NH2+]C2(c3cccc(F)c3)CC2)c([N+](=O)[O-])c1 ZINC000179687747 323400616 /nfs/dbraw/zinc/40/06/16/323400616.db2.gz MRWKHPPSKWYEMO-UHFFFAOYSA-N 1 0 346.358 3.400 20 5 EGBDRO C[C@H]1[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCN1Cc1ccccc1 ZINC000380041791 324242993 /nfs/dbraw/zinc/24/29/93/324242993.db2.gz SBIIBTROYVRIFR-HNAYVOBHSA-N 1 0 325.412 3.347 20 5 EGBDRO C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000381711550 324247387 /nfs/dbraw/zinc/24/73/87/324247387.db2.gz IOCYPQDDEFXODP-NXEZZACHSA-N 1 0 329.422 3.048 20 5 EGBDRO O=[N+]([O-])c1ccccc1N1CC[NH+](CCCc2ccsc2)CC1 ZINC000580249044 325222235 /nfs/dbraw/zinc/22/22/35/325222235.db2.gz QOVDYXDDDGASGE-UHFFFAOYSA-N 1 0 331.441 3.411 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000581755752 325388524 /nfs/dbraw/zinc/38/85/24/325388524.db2.gz DMWXRFTVTNVYOG-UHFFFAOYSA-N 1 0 348.447 3.401 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC000173213713 455249436 /nfs/dbraw/zinc/24/94/36/455249436.db2.gz VCUYLPDZRABHGK-AWEZNQCLSA-N 1 0 333.432 3.144 20 5 EGBDRO C[C@@H]([NH2+]CCCS(=O)(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000173357623 455272787 /nfs/dbraw/zinc/27/27/87/455272787.db2.gz FYYUTBDDOUTSNV-CQSZACIVSA-N 1 0 348.424 3.109 20 5 EGBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000612174813 460561250 /nfs/dbraw/zinc/56/12/50/460561250.db2.gz YKXSTKZFUGKKOD-MRXNPFEDSA-N 1 0 346.358 3.266 20 5 EGBDRO C[NH+](C)CCCN1c2ccccc2Oc2ccc([N+](=O)[O-])cc2C1=O ZINC000002018449 452683245 /nfs/dbraw/zinc/68/32/45/452683245.db2.gz CGYWLLGTCBIGSR-UHFFFAOYSA-N 1 0 341.367 3.299 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1[C@H](C)C[C@@H]2CCCC[C@H]21 ZINC000245450588 455304273 /nfs/dbraw/zinc/30/42/73/455304273.db2.gz OTRPGBRFHOQIIS-JKIFEVAISA-N 1 0 331.416 3.495 20 5 EGBDRO CN(C(=O)C[N@@H+]1CCC[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000010340852 453287112 /nfs/dbraw/zinc/28/71/12/453287112.db2.gz QSGVHFGNPADUMR-SFHVURJKSA-N 1 0 339.395 3.395 20 5 EGBDRO CC[C@H](c1ccc(-c2ccc([N+](=O)[O-])nc2)cc1)N1CC[NH2+]CC1 ZINC000600790039 460606095 /nfs/dbraw/zinc/60/60/95/460606095.db2.gz XHDQYDIIJDLCCT-QGZVFWFLSA-N 1 0 326.400 3.013 20 5 EGBDRO C[C@H]1C[NH+](CCCNc2ccc([N+](=O)[O-])c3cccnc23)C[C@H](C)O1 ZINC000024201613 453727954 /nfs/dbraw/zinc/72/79/54/453727954.db2.gz ZTZJTLFJLPONGL-KBPBESRZSA-N 1 0 344.415 3.054 20 5 EGBDRO Cc1ccc(C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000032246002 453866576 /nfs/dbraw/zinc/86/65/76/453866576.db2.gz WHLMRNMBFSKYDJ-QGZVFWFLSA-N 1 0 345.374 3.075 20 5 EGBDRO C[C@H](c1cccs1)[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000032490224 453876045 /nfs/dbraw/zinc/87/60/45/453876045.db2.gz TXVQEPYFUUUSDU-TZMCWYRMSA-N 1 0 336.413 3.089 20 5 EGBDRO CC[NH+](CC)Cc1ccc(C(=O)NCc2cccc([N+](=O)[O-])c2)cc1 ZINC000067073463 453899927 /nfs/dbraw/zinc/89/99/27/453899927.db2.gz LVYFEXHWBIPUAU-UHFFFAOYSA-N 1 0 341.411 3.367 20 5 EGBDRO O=C(N[C@@H](C[NH+]1CCCCC1)c1ccccc1)c1ccc([N+](=O)[O-])o1 ZINC000075631015 453912972 /nfs/dbraw/zinc/91/29/72/453912972.db2.gz BBHSSLBACMFCHZ-HNNXBMFYSA-N 1 0 343.383 3.145 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)N(CC(C)C)C(C)C)cc1[N+](=O)[O-] ZINC000181810630 455385557 /nfs/dbraw/zinc/38/55/57/455385557.db2.gz FAEQDBIJIQSWSE-HNNXBMFYSA-N 1 0 335.448 3.447 20 5 EGBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000075958004 453942372 /nfs/dbraw/zinc/94/23/72/453942372.db2.gz JRDIEXQTUJIRHI-INIZCTEOSA-N 1 0 332.404 3.077 20 5 EGBDRO CCCC[N@H+](C)CC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000067612735 453948954 /nfs/dbraw/zinc/94/89/54/453948954.db2.gz LAWDFPZPCBCAFC-UHFFFAOYSA-N 1 0 347.459 3.487 20 5 EGBDRO O=[N+]([O-])c1c(F)cccc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000057136744 454104767 /nfs/dbraw/zinc/10/47/67/454104767.db2.gz SEHNKLYMFLJTJA-UHFFFAOYSA-N 1 0 329.375 3.446 20 5 EGBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@@H]1CC1CCCCC1 ZINC000159784071 455403889 /nfs/dbraw/zinc/40/38/89/455403889.db2.gz OAGPOYFLWBFBKB-MRXNPFEDSA-N 1 0 333.432 3.191 20 5 EGBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000159800279 455405191 /nfs/dbraw/zinc/40/51/91/455405191.db2.gz IVCWGURGLFPSSB-QGZVFWFLSA-N 1 0 341.411 3.026 20 5 EGBDRO NC(=O)c1ccc(C[N@@H+]2CCC[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000057463291 454130803 /nfs/dbraw/zinc/13/08/03/454130803.db2.gz DSEVZQVWYGTQTF-MRXNPFEDSA-N 1 0 325.368 3.031 20 5 EGBDRO CC[NH+](CC)[C@@H](CNC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000069689932 454133218 /nfs/dbraw/zinc/13/32/18/454133218.db2.gz XFFBSBPMUXDDGT-SFHVURJKSA-N 1 0 341.411 3.408 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000094123248 454187114 /nfs/dbraw/zinc/18/71/14/454187114.db2.gz OOVUDCIJNDVGHX-OAHLLOKOSA-N 1 0 345.443 3.267 20 5 EGBDRO C[NH+](C)CCN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1ccccc1 ZINC000119487639 454198693 /nfs/dbraw/zinc/19/86/93/454198693.db2.gz KOFKTVSXDXLWJT-UHFFFAOYSA-N 1 0 347.802 3.457 20 5 EGBDRO C[NH+](C)CCCNC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000071808857 454222499 /nfs/dbraw/zinc/22/24/99/454222499.db2.gz AKGXXQLRUSXQGM-UHFFFAOYSA-N 1 0 342.399 3.020 20 5 EGBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)CCOc1ccccc1F ZINC000058933228 454245531 /nfs/dbraw/zinc/24/55/31/454245531.db2.gz TWVFGBYQICPGNX-UHFFFAOYSA-N 1 0 334.347 3.124 20 5 EGBDRO CNC(=O)c1ccc(NCCC[N@H+](C)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000059984965 454266128 /nfs/dbraw/zinc/26/61/28/454266128.db2.gz OEUKVTMBNNOKCW-UHFFFAOYSA-N 1 0 348.447 3.021 20 5 EGBDRO CCC[N@H+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])c3cccnc32)C1 ZINC000078563614 454276469 /nfs/dbraw/zinc/27/64/69/454276469.db2.gz VWNWUKGKMZVHJL-AWEZNQCLSA-N 1 0 328.416 3.311 20 5 EGBDRO Cc1cnc(N2CCC[N@H+](Cc3ccccc3C)CC2)c([N+](=O)[O-])c1 ZINC000078630162 454288857 /nfs/dbraw/zinc/28/88/57/454288857.db2.gz ZWWIMNYUWRLSPE-UHFFFAOYSA-N 1 0 340.427 3.319 20 5 EGBDRO CC[C@H](C)[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccccc1 ZINC000090512339 454313830 /nfs/dbraw/zinc/31/38/30/454313830.db2.gz OWTADRZFDYPRSE-HNNXBMFYSA-N 1 0 329.400 3.057 20 5 EGBDRO CC[C@H](NC(=O)N(C)C[C@H]1CCC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000090688946 454336796 /nfs/dbraw/zinc/33/67/96/454336796.db2.gz LSTKSJOPFGRLRK-YOEHRIQHSA-N 1 0 348.447 3.029 20 5 EGBDRO CC(=O)Nc1cccc([C@@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)c1 ZINC000090909965 454350517 /nfs/dbraw/zinc/35/05/17/454350517.db2.gz AXGRJVIRYMVSDE-CYBMUJFWSA-N 1 0 327.384 3.447 20 5 EGBDRO CC[C@@H](CSC)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000091098387 454383493 /nfs/dbraw/zinc/38/34/93/454383493.db2.gz CQXFNLPEOATXIC-JTQLQIEISA-N 1 0 345.852 3.260 20 5 EGBDRO CC[C@@H](CSC)[N@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000091099684 454384612 /nfs/dbraw/zinc/38/46/12/454384612.db2.gz RFWKMIHMHYFQEK-LBPRGKRZSA-N 1 0 336.417 3.218 20 5 EGBDRO CC(C)C[NH+]1CCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 ZINC000097007476 454386552 /nfs/dbraw/zinc/38/65/52/454386552.db2.gz OHDNILRBXWKJIL-UHFFFAOYSA-N 1 0 347.459 3.306 20 5 EGBDRO CCCNC(=O)CC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000102423871 454505250 /nfs/dbraw/zinc/50/52/50/454505250.db2.gz OCKUBOGNRFRUGY-UHFFFAOYSA-N 1 0 347.440 3.329 20 5 EGBDRO CCC[C@@H]([NH2+][C@@H](C)[C@@H](C)N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000134148701 454508454 /nfs/dbraw/zinc/50/84/54/454508454.db2.gz DFLPXEDNJCILFP-HDMKZQKVSA-N 1 0 335.448 3.135 20 5 EGBDRO CC(C)[NH+]1CCC(C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000079975738 454508805 /nfs/dbraw/zinc/50/88/05/454508805.db2.gz CLLPRWAVKZOSRF-UHFFFAOYSA-N 1 0 333.432 3.067 20 5 EGBDRO COc1cc(C[N@@H+]2CC[C@H](C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000092471401 454571987 /nfs/dbraw/zinc/57/19/87/454571987.db2.gz UMFUZQHHPZTKHI-JTQLQIEISA-N 1 0 348.321 3.386 20 5 EGBDRO COc1ccc(C[N@H+](Cc2ccccc2)[C@@H](C)CCO)cc1[N+](=O)[O-] ZINC000093303912 454701296 /nfs/dbraw/zinc/70/12/96/454701296.db2.gz QUYLMBDUHOARPT-HNNXBMFYSA-N 1 0 344.411 3.377 20 5 EGBDRO C[C@@H](O)[C@H]1CCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000136828005 454757694 /nfs/dbraw/zinc/75/76/94/454757694.db2.gz XIZVRPSGGZYCNS-KGLIPLIRSA-N 1 0 330.384 3.448 20 5 EGBDRO CC[C@@H]([NH2+]C[C@H](O)c1ccc(OC)cc1)c1cccc([N+](=O)[O-])c1 ZINC000125445791 454822816 /nfs/dbraw/zinc/82/28/16/454822816.db2.gz FVIDTROFYXUGGL-MSOLQXFVSA-N 1 0 330.384 3.378 20 5 EGBDRO CCOC(=O)N1CCC([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000125688564 454839493 /nfs/dbraw/zinc/83/94/93/454839493.db2.gz MJBIIBHTEFZZRS-ZDUSSCGKSA-N 1 0 335.404 3.175 20 5 EGBDRO Cc1cc(C(=O)NC2CC[NH+](C3CCCCC3)CC2)cc([N+](=O)[O-])c1 ZINC000177258653 454844139 /nfs/dbraw/zinc/84/41/39/454844139.db2.gz CYKWELGJDBVWAX-UHFFFAOYSA-N 1 0 345.443 3.430 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]([C@H](C)C1CC1)C1CC1 ZINC000164695905 454887360 /nfs/dbraw/zinc/88/73/60/454887360.db2.gz MMTJUSHGOPEPFW-CYBMUJFWSA-N 1 0 331.416 3.495 20 5 EGBDRO COc1ccc(-c2ccc(C[N@@H+]3CCC[C@@H](CO)C3)o2)c([N+](=O)[O-])c1 ZINC000154593805 454910987 /nfs/dbraw/zinc/91/09/87/454910987.db2.gz DNZASOBHIQRZPS-CYBMUJFWSA-N 1 0 346.383 3.068 20 5 EGBDRO Cc1cccc(C(=O)NCc2ccc(C[NH+](C)C)c(F)c2)c1[N+](=O)[O-] ZINC000154649847 454915762 /nfs/dbraw/zinc/91/57/62/454915762.db2.gz YQWONUBOSONLBK-UHFFFAOYSA-N 1 0 345.374 3.034 20 5 EGBDRO C[S@@](=O)C[C@@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000154710783 454921756 /nfs/dbraw/zinc/92/17/56/454921756.db2.gz XHOVSHLPHOTYNZ-VDNBDFHQSA-N 1 0 344.436 3.317 20 5 EGBDRO C[N@@H+]1CCC[C@H](CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000113340157 454924042 /nfs/dbraw/zinc/92/40/42/454924042.db2.gz GNTARUKWJPNTDY-CYBMUJFWSA-N 1 0 346.456 3.150 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCN(c3ncccc3F)C2)cc1[N+](=O)[O-] ZINC000168158357 454924922 /nfs/dbraw/zinc/92/49/22/454924922.db2.gz NHUZSKJEXPVZMX-HIFRSBDPSA-N 1 0 344.390 3.367 20 5 EGBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000113520626 454928474 /nfs/dbraw/zinc/92/84/74/454928474.db2.gz SIKHEYCHCABKIJ-AWEZNQCLSA-N 1 0 334.420 3.289 20 5 EGBDRO C[C@H]([NH3+])C1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 ZINC000178823021 454982098 /nfs/dbraw/zinc/98/20/98/454982098.db2.gz BDUZKOOONGGVTI-JTQLQIEISA-N 1 0 333.413 3.009 20 5 EGBDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])C(=O)NC(C)(C)C ZINC000179138240 455012610 /nfs/dbraw/zinc/01/26/10/455012610.db2.gz XCSROSJUWCLQEC-SQWLQELKSA-N 1 0 347.459 3.199 20 5 EGBDRO COC(=O)[C@H](C)C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000116391036 455054304 /nfs/dbraw/zinc/05/43/04/455054304.db2.gz PZGRKHBFMNQJDB-SNVBAGLBSA-N 1 0 326.780 3.022 20 5 EGBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCC[C@H]1C1CCC1 ZINC000117338866 455083988 /nfs/dbraw/zinc/08/39/88/455083988.db2.gz KJAFUYXLPXLIPS-HNNXBMFYSA-N 1 0 345.399 3.157 20 5 EGBDRO C[C@H](c1ccncc1)[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000129528453 455115830 /nfs/dbraw/zinc/11/58/30/455115830.db2.gz VLBJQQJVHXYNET-GFCCVEGCSA-N 1 0 346.362 3.151 20 5 EGBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H]2CCCC[C@@H]2Cc2ccccc2)c1 ZINC000119119292 455127367 /nfs/dbraw/zinc/12/73/67/455127367.db2.gz PKZVZAPSUBADCE-SJLPKXTDSA-N 1 0 328.416 3.182 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H](O)COc1ccc(F)cc1 ZINC000152559353 455136341 /nfs/dbraw/zinc/13/63/41/455136341.db2.gz MKKMIRHUNRNOQM-CJNGLKHVSA-N 1 0 348.374 3.133 20 5 EGBDRO C[C@@](O)(C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)c1cccs1 ZINC000156881482 455154918 /nfs/dbraw/zinc/15/49/18/455154918.db2.gz YRNRNEQYIWAPDG-MAUKXSAKSA-N 1 0 346.452 3.475 20 5 EGBDRO C[C@H]([NH2+]CC(=O)N1c2ccccc2C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000180427064 455168323 /nfs/dbraw/zinc/16/83/23/455168323.db2.gz PCDHJYPZUXPHIF-KGLIPLIRSA-N 1 0 339.395 3.223 20 5 EGBDRO C[C@@H]([NH2+]C[C@@H]1CN(c2ccccc2)C(=O)O1)c1cccc([N+](=O)[O-])c1 ZINC000180454712 455172518 /nfs/dbraw/zinc/17/25/18/455172518.db2.gz AYFDYONPOYWNLR-CXAGYDPISA-N 1 0 341.367 3.271 20 5 EGBDRO CCC[N@H+](C)C[C@@H]1CCN(c2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000172788120 455187904 /nfs/dbraw/zinc/18/79/04/455187904.db2.gz CDWNYJFYIFZQKA-AWEZNQCLSA-N 1 0 328.416 3.311 20 5 EGBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000172839101 455195652 /nfs/dbraw/zinc/19/56/52/455195652.db2.gz HKNQPFNUHDIZIW-ZDUSSCGKSA-N 1 0 339.823 3.195 20 5 EGBDRO CCOc1ccc([C@@H]2CCC[N@@H+]2CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000157455898 455196321 /nfs/dbraw/zinc/19/63/21/455196321.db2.gz LZOQQXICARZQEE-KRWDZBQOSA-N 1 0 330.388 3.027 20 5 EGBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000172950482 455212767 /nfs/dbraw/zinc/21/27/67/455212767.db2.gz NDDNBCGREREYFA-HONMWMINSA-N 1 0 328.372 3.294 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000245442353 455301301 /nfs/dbraw/zinc/30/13/01/455301301.db2.gz HZAJOFZFEVLSTA-XJKSGUPXSA-N 1 0 347.415 3.197 20 5 EGBDRO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000245444365 455302026 /nfs/dbraw/zinc/30/20/26/455302026.db2.gz JPKXUUVKMNBARH-UKPHBRMFSA-N 1 0 343.427 3.137 20 5 EGBDRO CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000190424141 455313584 /nfs/dbraw/zinc/31/35/84/455313584.db2.gz VMIVZHXOLUPYGN-IRXDYDNUSA-N 1 0 344.415 3.130 20 5 EGBDRO O=[N+]([O-])c1ccccc1Sc1nnc([C@@H]2CCC[NH2+]C2)n1C1CC1 ZINC000265496791 455334797 /nfs/dbraw/zinc/33/47/97/455334797.db2.gz XACUTKPBFRSXTQ-LLVKDONJSA-N 1 0 345.428 3.139 20 5 EGBDRO C[C@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000245698663 455358754 /nfs/dbraw/zinc/35/87/54/455358754.db2.gz CRFLUSMCZBJGGT-UONOGXRCSA-N 1 0 328.416 3.473 20 5 EGBDRO Cc1ccccc1OC[C@@H](O)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181831092 455386756 /nfs/dbraw/zinc/38/67/56/455386756.db2.gz XSUMAFRWDXQCLQ-WBVHZDCISA-N 1 0 344.411 3.302 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@](C)(O)c1ccsc1 ZINC000265905262 455402488 /nfs/dbraw/zinc/40/24/88/455402488.db2.gz WJHKLWHQFHIHHQ-MRXNPFEDSA-N 1 0 336.413 3.052 20 5 EGBDRO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)C[C@H]1CCCC[C@H]1O ZINC000245968633 455407977 /nfs/dbraw/zinc/40/79/77/455407977.db2.gz NULDPAMNDRLAFR-BXUZGUMPSA-N 1 0 344.358 3.179 20 5 EGBDRO Cc1noc([C@H]2CCCN(Cc3ccc([N+](=O)[O-])cc3Cl)C2)n1 ZINC000182082168 455431010 /nfs/dbraw/zinc/43/10/10/455431010.db2.gz XWRHKUJHDCTDPV-LBPRGKRZSA-N 1 0 336.779 3.319 20 5 EGBDRO CCS(=O)(=O)CCCCC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000191062630 455435714 /nfs/dbraw/zinc/43/57/14/455435714.db2.gz CHECYOBKASSBEQ-AWEZNQCLSA-N 1 0 342.461 3.159 20 5 EGBDRO COc1cccc([C@@H](CNc2ccc([N+](=O)[O-])c(N)c2F)[NH+](C)C)c1 ZINC000266831062 455459525 /nfs/dbraw/zinc/45/95/25/455459525.db2.gz CQOMEVMOJIICDI-OAHLLOKOSA-N 1 0 348.378 3.040 20 5 EGBDRO COCCOc1ccccc1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000266841316 455461582 /nfs/dbraw/zinc/46/15/82/455461582.db2.gz GTCPSQIBHLCIQC-CQSZACIVSA-N 1 0 330.384 3.471 20 5 EGBDRO C[C@H](c1cccs1)[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182222636 455464919 /nfs/dbraw/zinc/46/49/19/455464919.db2.gz PDMGTAMGFGKNCL-OLZOCXBDSA-N 1 0 336.413 3.089 20 5 EGBDRO Cn1cc(C[NH2+][C@@H]2CCOC(C)(C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000160516644 455468403 /nfs/dbraw/zinc/46/84/03/455468403.db2.gz VKUZAWKKJIAZCF-OAHLLOKOSA-N 1 0 344.415 3.043 20 5 EGBDRO CC(C)N(C)c1ccc(CN(C)Cc2ccccc2[N+](=O)[O-])cn1 ZINC000191232636 455468474 /nfs/dbraw/zinc/46/84/74/455468474.db2.gz QKXRRVYVGMTXIX-UHFFFAOYSA-N 1 0 328.416 3.466 20 5 EGBDRO COc1ccc([C@@H](CCO)[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000182402816 455506956 /nfs/dbraw/zinc/50/69/56/455506956.db2.gz MERBFKRJOQVQHY-QGZVFWFLSA-N 1 0 330.384 3.125 20 5 EGBDRO Cc1cc(C)cc([C@H](C)[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000182416629 455509453 /nfs/dbraw/zinc/50/94/53/455509453.db2.gz FDCCAGCWKAKMKZ-RDJZCZTQSA-N 1 0 344.411 3.302 20 5 EGBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2CCCC2(C)C)c([N+](=O)[O-])c1 ZINC000191856568 455525984 /nfs/dbraw/zinc/52/59/84/455525984.db2.gz JQNUFVVTBWXHCY-XHDPSFHLSA-N 1 0 335.404 3.099 20 5 EGBDRO C[N@@H+]1CCC[C@@H]2CN(c3ccc4ncccc4c3[N+](=O)[O-])CC[C@H]21 ZINC000247025832 455545774 /nfs/dbraw/zinc/54/57/74/455545774.db2.gz NFCXDRRWCWAJLB-CZUORRHYSA-N 1 0 326.400 3.064 20 5 EGBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000182698239 455571186 /nfs/dbraw/zinc/57/11/86/455571186.db2.gz AKZNMBZYJRRLDP-OLZOCXBDSA-N 1 0 349.431 3.489 20 5 EGBDRO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185692891 455598503 /nfs/dbraw/zinc/59/85/03/455598503.db2.gz YOPNAVZWRRSZGT-HZPDHXFCSA-N 1 0 347.459 3.216 20 5 EGBDRO C[N@@H+]1CC[C@@]2(CCN(c3ccc([N+](=O)[O-])c(C(F)(F)F)c3)C2)C1 ZINC000292359214 455639948 /nfs/dbraw/zinc/63/99/48/455639948.db2.gz RDQMPQQZCKBXBF-CQSZACIVSA-N 1 0 329.322 3.146 20 5 EGBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000271450911 455641371 /nfs/dbraw/zinc/64/13/71/455641371.db2.gz DOGUYVNHIKRJFG-HIFRSBDPSA-N 1 0 347.415 3.003 20 5 EGBDRO CCc1nnc([C@H](C)[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])[nH]1 ZINC000271471612 455650094 /nfs/dbraw/zinc/65/00/94/455650094.db2.gz IKISLYJNKYGYNK-YDHLFZDLSA-N 1 0 343.431 3.337 20 5 EGBDRO Cc1cc(C(=O)N(CC[NH+](C)C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000247960677 455660621 /nfs/dbraw/zinc/66/06/21/455660621.db2.gz FDSCBAKVRHIGKQ-UHFFFAOYSA-N 1 0 341.411 3.107 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCc1cn3ccccc3n1)CCC2 ZINC000192645418 455661078 /nfs/dbraw/zinc/66/10/78/455661078.db2.gz UZTFQJPGFDVLCF-GOSISDBHSA-N 1 0 336.395 3.452 20 5 EGBDRO COc1ccc(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)c(OC)c1 ZINC000284319194 455667871 /nfs/dbraw/zinc/66/78/71/455667871.db2.gz ZRNHCWVBARWUOP-LLVKDONJSA-N 1 0 331.372 3.045 20 5 EGBDRO COc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000271613043 455700988 /nfs/dbraw/zinc/70/09/88/455700988.db2.gz BYHMMZOWIMUZIM-CYBMUJFWSA-N 1 0 343.383 3.201 20 5 EGBDRO CC[C@@](C)(CCO)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000268510693 455703296 /nfs/dbraw/zinc/70/32/96/455703296.db2.gz CLHQPRYJKDOVMV-INIZCTEOSA-N 1 0 335.429 3.359 20 5 EGBDRO CCOC(=O)N1CCC([C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000186420360 455763953 /nfs/dbraw/zinc/76/39/53/455763953.db2.gz BJTPLLBDVJSXAI-AWEZNQCLSA-N 1 0 349.431 3.250 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H](CO)c1ccc(F)cc1)CCC2 ZINC000278160340 455773615 /nfs/dbraw/zinc/77/36/15/455773615.db2.gz AVCNPDQYPWPYGH-MSOLQXFVSA-N 1 0 330.359 3.435 20 5 EGBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2C[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)c1 ZINC000285384947 455833661 /nfs/dbraw/zinc/83/36/61/455833661.db2.gz GXDFESZEEAGQLO-RCCFBDPRSA-N 1 0 326.400 3.059 20 5 EGBDRO COc1c(C)cnc(CN(C)C(=O)c2c(C)cccc2[N+](=O)[O-])c1C ZINC000194502554 455851236 /nfs/dbraw/zinc/85/12/36/455851236.db2.gz YBUCCDOESGKSCF-UHFFFAOYSA-N 1 0 343.383 3.196 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC(=O)N[C@H]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000285664563 455891601 /nfs/dbraw/zinc/89/16/01/455891601.db2.gz MMFIXSYYALCVOY-DXCKQFNASA-N 1 0 333.432 3.247 20 5 EGBDRO C[C@@H]([NH2+]Cc1ccnc(C(F)(F)F)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000296590441 455981882 /nfs/dbraw/zinc/98/18/82/455981882.db2.gz UXYVAYZNARVWTO-SECBINFHSA-N 1 0 340.305 3.442 20 5 EGBDRO O=[N+]([O-])c1cc(CN2CC[NH2+]C[C@@H]2c2ccccc2Cl)cs1 ZINC000262247023 456016888 /nfs/dbraw/zinc/01/68/88/456016888.db2.gz PPRGGKPWCNZQQI-CQSZACIVSA-N 1 0 337.832 3.456 20 5 EGBDRO CCS[C@@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000286308603 456021450 /nfs/dbraw/zinc/02/14/50/456021450.db2.gz VZYWCTJQKAQDDT-LSDHHAIUSA-N 1 0 337.445 3.106 20 5 EGBDRO CC[C@@H](NC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000262388113 456031614 /nfs/dbraw/zinc/03/16/14/456031614.db2.gz YOLYFRWVVANWOS-SYCZQAEJSA-N 1 0 345.443 3.316 20 5 EGBDRO COc1cc(CN2CCC=C(C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000280734917 456041387 /nfs/dbraw/zinc/04/13/87/456041387.db2.gz HHTNABAQWJSNLA-UHFFFAOYSA-N 1 0 328.315 3.357 20 5 EGBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000296940414 456071613 /nfs/dbraw/zinc/07/16/13/456071613.db2.gz VHIWJEPXQVHSHZ-LSDHHAIUSA-N 1 0 348.447 3.029 20 5 EGBDRO C[NH+](C)[C@@H](CNc1ncc([N+](=O)[O-])cc1Cl)c1ccc(F)cc1 ZINC000301297483 456084996 /nfs/dbraw/zinc/08/49/96/456084996.db2.gz YLAYXNBSOPLCST-AWEZNQCLSA-N 1 0 338.770 3.497 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)c1 ZINC000280961833 456094943 /nfs/dbraw/zinc/09/49/43/456094943.db2.gz KZDKCFYOTWNPQN-MRXNPFEDSA-N 1 0 345.443 3.430 20 5 EGBDRO C[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)C1=CC[N@H+](C)CC1 ZINC000272898994 456106835 /nfs/dbraw/zinc/10/68/35/456106835.db2.gz INZFOFDLPZPPSM-NSHDSACASA-N 1 0 345.424 3.190 20 5 EGBDRO COc1cc(NC2CC[NH+](C(C)(C)C)CC2)c(F)cc1[N+](=O)[O-] ZINC000271075312 456119615 /nfs/dbraw/zinc/11/96/15/456119615.db2.gz GLGMGNVDGNOMEG-UHFFFAOYSA-N 1 0 325.384 3.417 20 5 EGBDRO CC[N@@H+]1CCCC[C@@H]1CNc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000301509174 456132634 /nfs/dbraw/zinc/13/26/34/456132634.db2.gz ATCWHKHNEXZWLI-GFCCVEGCSA-N 1 0 329.347 3.483 20 5 EGBDRO CCOc1ccc([C@H](C)[NH2+]CCNc2ccccn2)cc1[N+](=O)[O-] ZINC000271131132 456134397 /nfs/dbraw/zinc/13/43/97/456134397.db2.gz LVYMYZQGYDROLT-ZDUSSCGKSA-N 1 0 330.388 3.151 20 5 EGBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1ncccc1[N+](=O)[O-] ZINC000301604282 456159028 /nfs/dbraw/zinc/15/90/28/456159028.db2.gz XOUHDLMOIPIVQR-GOEBONIOSA-N 1 0 326.400 3.312 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2nc(C[NH+]3CCC(CCCO)CC3)co2)cc1 ZINC000273049452 456159038 /nfs/dbraw/zinc/15/90/38/456159038.db2.gz YDIBGVXBYSKLNE-UHFFFAOYSA-N 1 0 345.399 3.234 20 5 EGBDRO CCOc1cc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)ccc1[N+](=O)[O-] ZINC000301789252 456214725 /nfs/dbraw/zinc/21/47/25/456214725.db2.gz PZXCQOPXTNYSLY-RHSMWYFYSA-N 1 0 345.443 3.447 20 5 EGBDRO NC(=O)c1ccc(C[N@@H+]2CCCC[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000273860348 456246543 /nfs/dbraw/zinc/24/65/43/456246543.db2.gz NSOITNZZUFLZQS-QGZVFWFLSA-N 1 0 339.395 3.421 20 5 EGBDRO COc1cc(NCCC[N@@H+]2CCCC[C@@H]2C)c(F)cc1[N+](=O)[O-] ZINC000301947209 456256958 /nfs/dbraw/zinc/25/69/58/456256958.db2.gz HNRKPJRUIFGPQS-LBPRGKRZSA-N 1 0 325.384 3.419 20 5 EGBDRO C[N@@H+]1CCC[C@H]2CN(c3ccnc4ccc([N+](=O)[O-])cc43)CC[C@@H]21 ZINC000601130630 460722141 /nfs/dbraw/zinc/72/21/41/460722141.db2.gz NDQHDBLGZCGAPN-GUYCJALGSA-N 1 0 326.400 3.064 20 5 EGBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)[C@H]1SC ZINC000297643991 456269529 /nfs/dbraw/zinc/26/95/29/456269529.db2.gz MWOQSCMZOWTASS-BFHYXJOUSA-N 1 0 330.837 3.247 20 5 EGBDRO C[NH+](C)C(C)(C)CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000275407532 456274244 /nfs/dbraw/zinc/27/42/44/456274244.db2.gz BZNXPKMWMAATBF-UHFFFAOYSA-N 1 0 337.423 3.164 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCC(n3ccnc3)CC2)c(OC(F)F)c1 ZINC000302062661 456278048 /nfs/dbraw/zinc/27/80/48/456278048.db2.gz UODWGNPCHHOIJT-UHFFFAOYSA-N 1 0 338.314 3.234 20 5 EGBDRO CC[C@@H]1CN(c2ncccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000302142204 456297503 /nfs/dbraw/zinc/29/75/03/456297503.db2.gz FNZGVJGKKKUCLE-MRXNPFEDSA-N 1 0 326.400 3.091 20 5 EGBDRO CCOc1cccc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000302167975 456305152 /nfs/dbraw/zinc/30/51/52/456305152.db2.gz SGSAVKDGIFCEBU-HOCLYGCPSA-N 1 0 345.443 3.447 20 5 EGBDRO C[C@H](CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)[N@H+](C)C1CC1 ZINC000275766931 456308568 /nfs/dbraw/zinc/30/85/68/456308568.db2.gz GKJGVSDVWCJAPE-CYBMUJFWSA-N 1 0 349.434 3.306 20 5 EGBDRO CCC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)CC1CC1 ZINC000297890653 456317981 /nfs/dbraw/zinc/31/79/81/456317981.db2.gz OCROHAMCCALJRM-UHFFFAOYSA-N 1 0 335.404 3.054 20 5 EGBDRO CCOC(=O)N1CC[C@H](Nc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)C1 ZINC000302300014 456333972 /nfs/dbraw/zinc/33/39/72/456333972.db2.gz YMQAHWHYROODJZ-LBPRGKRZSA-N 1 0 344.371 3.094 20 5 EGBDRO CCn1ccnc1[C@H]1CCCCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000281856096 456340186 /nfs/dbraw/zinc/34/01/86/456340186.db2.gz QLBDENWGLVOGQL-MRXNPFEDSA-N 1 0 342.399 3.108 20 5 EGBDRO C[NH+](C)[C@H](CNc1c2c(ccc1[N+](=O)[O-])NCC2)c1cccc(F)c1 ZINC000302476259 456346474 /nfs/dbraw/zinc/34/64/74/456346474.db2.gz VKOZONAYKPYUJH-QGZVFWFLSA-N 1 0 344.390 3.417 20 5 EGBDRO CCN(CCC[NH+]1CCCC1)C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000276449138 456484577 /nfs/dbraw/zinc/48/45/77/456484577.db2.gz MENHYTJADQHTLJ-UHFFFAOYSA-N 1 0 339.823 3.196 20 5 EGBDRO CCC[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000302915113 456435466 /nfs/dbraw/zinc/43/54/66/456435466.db2.gz JYEFBVZPBXAVMA-UHFFFAOYSA-N 1 0 341.411 3.470 20 5 EGBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])C[C@H]1OCCc2ccccc21 ZINC000337640075 456448421 /nfs/dbraw/zinc/44/84/21/456448421.db2.gz FEDQFEOLDGOCQW-LJQANCHMSA-N 1 0 342.395 3.219 20 5 EGBDRO CC[NH+]1CCC(NCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000290880832 456455897 /nfs/dbraw/zinc/45/58/97/456455897.db2.gz MAHSQTNNUZCONE-UHFFFAOYSA-N 1 0 332.231 3.476 20 5 EGBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]CCSCCCO ZINC000290910515 456464585 /nfs/dbraw/zinc/46/45/85/456464585.db2.gz PCYFPGMUVSLPFH-UHFFFAOYSA-N 1 0 339.244 3.107 20 5 EGBDRO COCC1(CC[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCC1 ZINC000340442553 456465392 /nfs/dbraw/zinc/46/53/92/456465392.db2.gz AYQGDBRNXAVMBH-HUUCEWRRSA-N 1 0 336.436 3.071 20 5 EGBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@H]1CCc2ccccc2C1 ZINC000303621714 456472302 /nfs/dbraw/zinc/47/23/02/456472302.db2.gz XBLWDBBWEMZYAT-KRWDZBQOSA-N 1 0 326.396 3.463 20 5 EGBDRO C[C@H]([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CCCOC1 ZINC000348140456 456512079 /nfs/dbraw/zinc/51/20/79/456512079.db2.gz KSLDURUXGCJGQC-GXTWGEPZSA-N 1 0 331.372 3.155 20 5 EGBDRO CCNc1ccc(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000343323786 456531865 /nfs/dbraw/zinc/53/18/65/456531865.db2.gz TUDYIAJUHMJRMU-KBPBESRZSA-N 1 0 348.447 3.019 20 5 EGBDRO CC[NH+](CC)[C@H](CNc1nc2sccn2c1[N+](=O)[O-])c1ccco1 ZINC000343352924 456553488 /nfs/dbraw/zinc/55/34/88/456553488.db2.gz UDCDCAAQMBMDDA-LLVKDONJSA-N 1 0 349.416 3.392 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@]1(CO)C[C@H]1c1ccccc1 ZINC000353222807 456570845 /nfs/dbraw/zinc/57/08/45/456570845.db2.gz QWTSBCPSQRNFSV-TVZRVCQQSA-N 1 0 338.407 3.364 20 5 EGBDRO COc1cc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)cc(OC)c1O ZINC000348259974 456577879 /nfs/dbraw/zinc/57/78/79/456577879.db2.gz HWZSARHQRONFIM-UHFFFAOYSA-N 1 0 346.383 3.343 20 5 EGBDRO CC[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C[C@H](C)OC ZINC000291286259 456591397 /nfs/dbraw/zinc/59/13/97/456591397.db2.gz QSGUPNDRYLUAFG-ZDUSSCGKSA-N 1 0 333.388 3.149 20 5 EGBDRO CC(C)c1ccc(C[NH2+][C@H]2CCO[C@@H]2c2nccn2C)cc1[N+](=O)[O-] ZINC000343405479 456597770 /nfs/dbraw/zinc/59/77/70/456597770.db2.gz SKMFVCGPIKYZGQ-RDJZCZTQSA-N 1 0 344.415 3.072 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000276878428 456608548 /nfs/dbraw/zinc/60/85/48/456608548.db2.gz KVUMAZAPAOAODV-UHFFFAOYSA-N 1 0 334.420 3.147 20 5 EGBDRO C[NH+](C)[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000276970081 456636117 /nfs/dbraw/zinc/63/61/17/456636117.db2.gz DNTDJXUNTZWGTO-LLVKDONJSA-N 1 0 329.347 3.117 20 5 EGBDRO C[C@@H]1OCC[C@]1(C)[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000300635644 456783718 /nfs/dbraw/zinc/78/37/18/456783718.db2.gz XPCQCRLOCHHIHH-ZANVPECISA-N 1 0 329.194 3.014 20 5 EGBDRO Cn1ccnc1[C@H]([NH2+]CC1CCSCC1)c1cccc([N+](=O)[O-])c1 ZINC000353535664 456740497 /nfs/dbraw/zinc/74/04/97/456740497.db2.gz WNIPZAOVKQPFCO-MRXNPFEDSA-N 1 0 346.456 3.151 20 5 EGBDRO Cc1cc(NC(=O)NC[C@H](c2ccsc2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000338351738 456782616 /nfs/dbraw/zinc/78/26/16/456782616.db2.gz BVHWPOAIPNLICL-OAHLLOKOSA-N 1 0 348.428 3.389 20 5 EGBDRO CCc1nn(C)c(NC[C@H]([NH2+][C@@H](C)CC)c2ccco2)c1[N+](=O)[O-] ZINC000340972257 456792458 /nfs/dbraw/zinc/79/24/58/456792458.db2.gz PVPYRKMCFHJQFZ-AAEUAGOBSA-N 1 0 335.408 3.025 20 5 EGBDRO COCCOc1ccc(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000283691694 456824371 /nfs/dbraw/zinc/82/43/71/456824371.db2.gz AILWUNOSFMNBNL-ZDUSSCGKSA-N 1 0 345.399 3.053 20 5 EGBDRO C[C@H]1CC[N@H+](C)CCN1c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000341273080 456828441 /nfs/dbraw/zinc/82/84/41/456828441.db2.gz QKLFSJSHABZXLT-AWEZNQCLSA-N 1 0 326.400 3.187 20 5 EGBDRO CCc1oc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)cc1C(=O)OC ZINC000338956969 456876059 /nfs/dbraw/zinc/87/60/59/456876059.db2.gz XKIYDCXXBALNBS-UHFFFAOYSA-N 1 0 346.383 3.211 20 5 EGBDRO CC(C)CN(CC[NH+](C)C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000348908307 456887385 /nfs/dbraw/zinc/88/73/85/456887385.db2.gz ZBHKKDDSCGFJIV-UHFFFAOYSA-N 1 0 345.390 3.216 20 5 EGBDRO O=C(Nc1ccc([N+](=O)[O-])c2ncccc12)c1ccc2c[nH+]cn2c1 ZINC000341683117 456898397 /nfs/dbraw/zinc/89/83/97/456898397.db2.gz JZLFDEJXFNJYMD-UHFFFAOYSA-N 1 0 333.307 3.043 20 5 EGBDRO C[N@H+](CCOCC1CC1)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000339013853 456900491 /nfs/dbraw/zinc/90/04/91/456900491.db2.gz LLFWMHHXKNBJGM-UHFFFAOYSA-N 1 0 332.322 3.472 20 5 EGBDRO O=[N+]([O-])c1cccc(C[N@@H+](C[C@@H](O)Cc2ccc(F)cc2)C2CC2)c1 ZINC000339019948 456903056 /nfs/dbraw/zinc/90/30/56/456903056.db2.gz CHWNRQPKRURILK-IBGZPJMESA-N 1 0 344.386 3.302 20 5 EGBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000339096950 456939161 /nfs/dbraw/zinc/93/91/61/456939161.db2.gz MFQHUJDYPRKYPU-MJBXVCDLSA-N 1 0 334.420 3.083 20 5 EGBDRO CN(CC[N@H+](C)C1CC1)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000349356095 456951354 /nfs/dbraw/zinc/95/13/54/456951354.db2.gz VNBHUQGYJZDUNC-UHFFFAOYSA-N 1 0 329.400 3.381 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCC[NH+]1CCC(C)CC1 ZINC000353942138 456973875 /nfs/dbraw/zinc/97/38/75/456973875.db2.gz QPTWPDYBPMEDNZ-UHFFFAOYSA-N 1 0 334.420 3.011 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000354082575 457050275 /nfs/dbraw/zinc/05/02/75/457050275.db2.gz KYMBHWFVJCZEKT-INIZCTEOSA-N 1 0 347.459 3.157 20 5 EGBDRO Cc1c([C@H](C)[NH2+]Cc2cccc(C(=O)N(C)C)c2)cccc1[N+](=O)[O-] ZINC000359683842 457113067 /nfs/dbraw/zinc/11/30/67/457113067.db2.gz XQWILFBQEDGNIG-AWEZNQCLSA-N 1 0 341.411 3.456 20 5 EGBDRO CC[C@H](NC(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000331312107 457164578 /nfs/dbraw/zinc/16/45/78/457164578.db2.gz CCQDUFKCLJRGID-LOUJCGABSA-N 1 0 333.432 3.423 20 5 EGBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000354424467 457213461 /nfs/dbraw/zinc/21/34/61/457213461.db2.gz ZUTBQXZTXDORAD-AWEZNQCLSA-N 1 0 345.399 3.335 20 5 EGBDRO CC(C)[C@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)C1(CO)CCC1 ZINC000339730044 457236658 /nfs/dbraw/zinc/23/66/58/457236658.db2.gz YYYUXRINOJVWOA-HNNXBMFYSA-N 1 0 328.359 3.150 20 5 EGBDRO Cc1cc(NCCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000360074971 457241144 /nfs/dbraw/zinc/24/11/44/457241144.db2.gz SIGFNPINDXLSJN-OKILXGFUSA-N 1 0 339.411 3.344 20 5 EGBDRO Cc1c(C[NH2+][C@@H]2CC[C@H](C)C[C@@H]2n2cncn2)cccc1[N+](=O)[O-] ZINC000331988788 457284833 /nfs/dbraw/zinc/28/48/33/457284833.db2.gz AMJPHMGKGNZDDF-MJEQTWJJSA-N 1 0 329.404 3.014 20 5 EGBDRO C[NH+](C)CC[C@@H](NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)C(C)(C)C ZINC000347249130 457310352 /nfs/dbraw/zinc/31/03/52/457310352.db2.gz CYXFIJDCLRZZPD-CQSZACIVSA-N 1 0 340.399 3.222 20 5 EGBDRO C[C@@H]([NH2+]C1CCN(Cc2cccnc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000360494976 457317094 /nfs/dbraw/zinc/31/70/94/457317094.db2.gz IVMVKPFZXGJTSQ-OAHLLOKOSA-N 1 0 340.427 3.305 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(Cn2ccnn2)CC1 ZINC000347330676 457356371 /nfs/dbraw/zinc/35/63/71/457356371.db2.gz DBSUDNSJHFREQB-PTNGSMBKSA-N 1 0 341.415 3.002 20 5 EGBDRO CC[N@@H+]1CCC[C@H](CNC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000352471775 457393713 /nfs/dbraw/zinc/39/37/13/457393713.db2.gz XWIWXPJAJRLJJM-CQSZACIVSA-N 1 0 333.432 3.180 20 5 EGBDRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000342622973 457410454 /nfs/dbraw/zinc/41/04/54/457410454.db2.gz SXEGUVHEVXLFRM-CQSZACIVSA-N 1 0 342.399 3.237 20 5 EGBDRO O=C(CC[N@@H+]1CC[C@H](c2ccco2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000374008168 457437187 /nfs/dbraw/zinc/43/71/87/457437187.db2.gz NPWHZPPCTGRMHY-ZDUSSCGKSA-N 1 0 329.356 3.006 20 5 EGBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccc(-n2cccn2)cc1 ZINC000352538525 457449325 /nfs/dbraw/zinc/44/93/25/457449325.db2.gz LOKMVATZXBVIQK-UHFFFAOYSA-N 1 0 336.395 3.455 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(CN3CCC[C@@]4(CC[NH2+]C4)C3)o2)cc1 ZINC000352546480 457455698 /nfs/dbraw/zinc/45/56/98/457455698.db2.gz VWSCUCBSINZIGO-IBGZPJMESA-N 1 0 341.411 3.430 20 5 EGBDRO CC(C)(C)c1ccc(C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000364081514 457478427 /nfs/dbraw/zinc/47/84/27/457478427.db2.gz ZKYPRFRRVOPDFK-OAHLLOKOSA-N 1 0 345.443 3.203 20 5 EGBDRO CC(C)(C)c1ccc(C(=O)NC[C@@]2(C)CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000342762310 457507680 /nfs/dbraw/zinc/50/76/80/457507680.db2.gz VHSOFVANWWRVSM-SFHVURJKSA-N 1 0 333.432 3.012 20 5 EGBDRO CCC[N@H+](Cc1ccc(Br)cc1[N+](=O)[O-])CC(C)(C)O ZINC000425393962 457532770 /nfs/dbraw/zinc/53/27/70/457532770.db2.gz KDDHEUFXOKQQNG-UHFFFAOYSA-N 1 0 345.237 3.340 20 5 EGBDRO COCCCC[N@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425466075 457566211 /nfs/dbraw/zinc/56/62/11/457566211.db2.gz BKYASJKRVSHMGO-UHFFFAOYSA-N 1 0 331.210 3.216 20 5 EGBDRO O=C1Nc2ccccc2[C@@]12CC[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C2 ZINC000364451260 457608275 /nfs/dbraw/zinc/60/82/75/457608275.db2.gz YTJROTHCFOGJBW-CYXJOQHWSA-N 1 0 349.390 3.204 20 5 EGBDRO C[C@H]1[C@H](C)[N@H+](C)CCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000361168084 457625811 /nfs/dbraw/zinc/62/58/11/457625811.db2.gz RRNQINIDSWKFJR-KBPBESRZSA-N 1 0 329.400 3.379 20 5 EGBDRO COc1ccc(C[NH2+][C@H]2CCc3c(cccc3OC)C2)cc1[N+](=O)[O-] ZINC000425944048 457657345 /nfs/dbraw/zinc/65/73/45/457657345.db2.gz LDSIIQVCZKDAAE-HNNXBMFYSA-N 1 0 342.395 3.259 20 5 EGBDRO CN(c1ccccc1)c1ccc(C[NH2+]C[C@H](O)C2CC2)cc1[N+](=O)[O-] ZINC000357760262 457680880 /nfs/dbraw/zinc/68/08/80/457680880.db2.gz JBNUARHDVIUNJC-IBGZPJMESA-N 1 0 341.411 3.223 20 5 EGBDRO CCO[C@H]1C[C@H]([N@H+](C)Cc2cc([N+](=O)[O-])ccc2OC)C12CCC2 ZINC000357785095 457688376 /nfs/dbraw/zinc/68/83/76/457688376.db2.gz HUKVQRGEPIHWDD-IRXDYDNUSA-N 1 0 334.416 3.383 20 5 EGBDRO Cc1c(C[NH2+]C2CCN(c3nccs3)CC2)cccc1[N+](=O)[O-] ZINC000361460432 457739451 /nfs/dbraw/zinc/73/94/51/457739451.db2.gz XDNGGVVQQDSPDW-UHFFFAOYSA-N 1 0 332.429 3.118 20 5 EGBDRO CSc1ccccc1C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000358047375 457751767 /nfs/dbraw/zinc/75/17/67/457751767.db2.gz JGTREJJZOINWAA-AWEZNQCLSA-N 1 0 344.440 3.398 20 5 EGBDRO CC1(C)C[C@H]([NH2+]CCN2CCOCC2(C)C)c2cc([N+](=O)[O-])ccc21 ZINC000433112687 457760229 /nfs/dbraw/zinc/76/02/29/457760229.db2.gz AFBMHXROOYXCMO-KRWDZBQOSA-N 1 0 347.459 3.018 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(OC(F)F)c1 ZINC000443426887 457763672 /nfs/dbraw/zinc/76/36/72/457763672.db2.gz HFKHUILNEGITPC-GHMZBOCLSA-N 1 0 327.331 3.235 20 5 EGBDRO C[C@H]([C@H](C)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)N1CCOCC1 ZINC000433173153 457769296 /nfs/dbraw/zinc/76/92/96/457769296.db2.gz JKQXIUQKTVFYMS-IYOUNJFTSA-N 1 0 347.459 3.016 20 5 EGBDRO C[C@H](C[NH+]1CCCCCC1)NC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000361532236 457776817 /nfs/dbraw/zinc/77/68/17/457776817.db2.gz WQYHLHIYHWZJRT-HUUCEWRRSA-N 1 0 348.447 3.220 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000371068159 457778931 /nfs/dbraw/zinc/77/89/31/457778931.db2.gz ZGXSLTVJFOEHDX-OAHLLOKOSA-N 1 0 334.416 3.242 20 5 EGBDRO CC1(C)C[C@@H]([NH2+]CCCOC[C@H]2CCOC2)c2cc([N+](=O)[O-])ccc21 ZINC000433267574 457796264 /nfs/dbraw/zinc/79/62/64/457796264.db2.gz GIAZSNJUUJVKHH-RDTXWAMCSA-N 1 0 348.443 3.350 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C(C)C)C1CCC1 ZINC000411384292 457869585 /nfs/dbraw/zinc/86/95/85/457869585.db2.gz HNVGTKUAJHMLPV-UHFFFAOYSA-N 1 0 335.404 3.195 20 5 EGBDRO COc1ccc(NC(=O)CC[N@H+](C)[C@@H]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000411608854 457928262 /nfs/dbraw/zinc/92/82/62/457928262.db2.gz GRKFIYYCEPNNFH-XJKSGUPXSA-N 1 0 349.431 3.443 20 5 EGBDRO CC[C@H]([NH2+][C@H]1CCOC2(CCOCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000358318114 457931059 /nfs/dbraw/zinc/93/10/59/457931059.db2.gz LYARBLSNUKJGKJ-RDJZCZTQSA-N 1 0 334.416 3.364 20 5 EGBDRO CC[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCC[C@@H]1C ZINC000444660134 457931185 /nfs/dbraw/zinc/93/11/85/457931185.db2.gz RMMNXJWUWMBXRP-YOEHRIQHSA-N 1 0 333.432 3.458 20 5 EGBDRO CC[N@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@H]1CCCC[C@@H]1C ZINC000444679074 457936524 /nfs/dbraw/zinc/93/65/24/457936524.db2.gz TUTPAHLVWDIUOM-BBRMVZONSA-N 1 0 349.431 3.443 20 5 EGBDRO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000444773330 457972703 /nfs/dbraw/zinc/97/27/03/457972703.db2.gz RCGAPWWNINNVER-ZIAGYGMSSA-N 1 0 349.431 3.298 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@]1(C)CCCC[C@@H]1C ZINC000411819792 457985202 /nfs/dbraw/zinc/98/52/02/457985202.db2.gz QNJZIWIQSUHWLZ-UGSOOPFHSA-N 1 0 349.431 3.490 20 5 EGBDRO CSc1ccc(C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)cc1[N+](=O)[O-] ZINC000434426236 457993304 /nfs/dbraw/zinc/99/33/04/457993304.db2.gz SUGQDLKGHVIPIA-AWEZNQCLSA-N 1 0 349.456 3.063 20 5 EGBDRO COc1cc(C[NH2+][C@H](C)[C@](C)(OC)C2CC2)c([N+](=O)[O-])cc1F ZINC000411974279 458029683 /nfs/dbraw/zinc/02/96/83/458029683.db2.gz TUITXDBFKYICGI-HWPZZCPQSA-N 1 0 326.368 3.036 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)CCN1CCOC(C)(C)C1 ZINC000434700502 458038852 /nfs/dbraw/zinc/03/88/52/458038852.db2.gz VEJWYVKQFJPQCM-HNNXBMFYSA-N 1 0 335.448 3.007 20 5 EGBDRO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000412008107 458043267 /nfs/dbraw/zinc/04/32/67/458043267.db2.gz KFMVMTDPDPCNIP-CVEARBPZSA-N 1 0 328.416 3.487 20 5 EGBDRO C[NH2+][C@@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000435390309 458133759 /nfs/dbraw/zinc/13/37/59/458133759.db2.gz RBTXYHAHDUHFDC-LLVKDONJSA-N 1 0 335.791 3.302 20 5 EGBDRO Cc1cccc(NC[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)n1 ZINC000369496985 458237626 /nfs/dbraw/zinc/23/76/26/458237626.db2.gz RZPKPTHDAXQRLN-LBPRGKRZSA-N 1 0 346.412 3.076 20 5 EGBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC(=Cc3ccc(F)c(F)c3)CC2)n1 ZINC000369564400 458268380 /nfs/dbraw/zinc/26/83/80/458268380.db2.gz JAIMWQJXMAUAER-UHFFFAOYSA-N 1 0 348.353 3.249 20 5 EGBDRO O=[N+]([O-])c1ccc(OCCC[NH+]2CCC([C@@H]3CCOC3)CC2)cc1 ZINC000376356504 458277584 /nfs/dbraw/zinc/27/75/84/458277584.db2.gz WHIJKIPVGMJIOJ-MRXNPFEDSA-N 1 0 334.416 3.112 20 5 EGBDRO Cn1c(=O)c2cc3ccccc3cc2nc1SC[C@@H]1CC[N@H+](C)C1 ZINC000412984991 458289101 /nfs/dbraw/zinc/28/91/01/458289101.db2.gz DLYHFPOWLKSBSE-CYBMUJFWSA-N 1 0 339.464 3.131 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1OC(F)F ZINC000369671974 458312504 /nfs/dbraw/zinc/31/25/04/458312504.db2.gz KVLHWZDOYYJKNF-NWDGAFQWSA-N 1 0 327.331 3.235 20 5 EGBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429799808 458372763 /nfs/dbraw/zinc/37/27/63/458372763.db2.gz GPZWAYOIVPKNMZ-LSDHHAIUSA-N 1 0 347.459 3.109 20 5 EGBDRO C[C@H](NC(=O)NC[C@H]1[N@H+](C)CCCC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000447991438 458375519 /nfs/dbraw/zinc/37/55/19/458375519.db2.gz UXUKWCSAKOAQAW-XJKSGUPXSA-N 1 0 348.447 3.075 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000430193706 458418727 /nfs/dbraw/zinc/41/87/27/458418727.db2.gz AFTUYMTXRVQYBH-MRXNPFEDSA-N 1 0 327.384 3.290 20 5 EGBDRO CN(C)C1(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CCC1 ZINC000437074657 458425592 /nfs/dbraw/zinc/42/55/92/458425592.db2.gz JQLJVSDOOOGBBS-RDJZCZTQSA-N 1 0 331.460 3.380 20 5 EGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1nnc(C(C)(C)C)[nH]1 ZINC000459669948 458442698 /nfs/dbraw/zinc/44/26/98/458442698.db2.gz GTVSPDSTHDRTDE-GFCCVEGCSA-N 1 0 331.420 3.121 20 5 EGBDRO O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)[C@H]1CCCC[NH2+]1 ZINC000430378517 458444601 /nfs/dbraw/zinc/44/46/01/458444601.db2.gz LWERJDHJABSVED-QGZVFWFLSA-N 1 0 341.367 3.468 20 5 EGBDRO C[C@@H](CC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)[C@@H]1CCC[NH2+]C1 ZINC000423721960 458475949 /nfs/dbraw/zinc/47/59/49/458475949.db2.gz JAXISMSAITUBAD-LSDHHAIUSA-N 1 0 345.443 3.112 20 5 EGBDRO CCC[C@@H]([NH2+]CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C1CCC1 ZINC000459803729 458482862 /nfs/dbraw/zinc/48/28/62/458482862.db2.gz OEUHFECLMMMWLJ-OAHLLOKOSA-N 1 0 349.431 3.490 20 5 EGBDRO O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)c1ccc([N+](=O)[O-])s1 ZINC000437851608 458502641 /nfs/dbraw/zinc/50/26/41/458502641.db2.gz OTQRPVSBTAFECN-CYBMUJFWSA-N 1 0 337.445 3.183 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)Nc2nc(C3CC[NH2+]CC3)cs2)c1 ZINC000423974608 458528204 /nfs/dbraw/zinc/52/82/04/458528204.db2.gz ATGHFAXNLVIANA-UHFFFAOYSA-N 1 0 346.412 3.079 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CCN(c2ccccn2)C1 ZINC000468619594 458528416 /nfs/dbraw/zinc/52/84/16/458528416.db2.gz PIYRZSVRSQVFFE-JMPLCFMRSA-N 1 0 338.411 3.262 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccc(OCCO)cc1 ZINC000468633045 458529514 /nfs/dbraw/zinc/52/95/14/458529514.db2.gz RNSJWBLNPFKIAK-RVDMUPIBSA-N 1 0 342.395 3.159 20 5 EGBDRO COCC[N@@H+]1CC[C@H](Nc2cc(C)c([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000461956822 458583641 /nfs/dbraw/zinc/58/36/41/458583641.db2.gz LJWMOFAJQZKKOF-NSHDSACASA-N 1 0 347.337 3.055 20 5 EGBDRO CCCN(Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@@H]1CC[NH2+]C1 ZINC000469990569 458604219 /nfs/dbraw/zinc/60/42/19/458604219.db2.gz JOBAZWRPXHHKOP-CQSZACIVSA-N 1 0 329.400 3.429 20 5 EGBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000431896113 458641671 /nfs/dbraw/zinc/64/16/71/458641671.db2.gz LHUUJIZKOQPONR-GOSISDBHSA-N 1 0 341.411 3.246 20 5 EGBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)C[NH+](CC)CC ZINC000462997185 458668663 /nfs/dbraw/zinc/66/86/63/458668663.db2.gz SUNLDRNWZWBISC-GDBMZVCRSA-N 1 0 335.448 3.010 20 5 EGBDRO COc1cccc([N+](=O)[O-])c1NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000518796306 458894319 /nfs/dbraw/zinc/89/43/19/458894319.db2.gz ZYFZBIOKPFIOLZ-UHFFFAOYSA-N 1 0 333.363 3.416 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@H](CC(C)C)C1 ZINC000467175648 458955358 /nfs/dbraw/zinc/95/53/58/458955358.db2.gz KBTKXZFCLHFBCW-UONOGXRCSA-N 1 0 349.431 3.298 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCOC[C@H](C2CCC2)C1 ZINC000519680131 458985058 /nfs/dbraw/zinc/98/50/58/458985058.db2.gz XDZDLXFKSXLQOX-MRXNPFEDSA-N 1 0 334.416 3.242 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1cccc(C(=O)N(C)C)c1 ZINC000531941967 459004590 /nfs/dbraw/zinc/00/45/90/459004590.db2.gz BECZYMJSHPQNKR-AWEZNQCLSA-N 1 0 341.411 3.456 20 5 EGBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000566826369 459005347 /nfs/dbraw/zinc/00/53/47/459005347.db2.gz JFUGVFAJEWRSOB-CQSZACIVSA-N 1 0 336.436 3.454 20 5 EGBDRO C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2OC(F)F)C[N@@H+]1C1CC1 ZINC000577432827 459032736 /nfs/dbraw/zinc/03/27/36/459032736.db2.gz ICPHZSZYKOWLBV-ZJUUUORDSA-N 1 0 327.331 3.233 20 5 EGBDRO CCc1ccccc1C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000577485074 459039944 /nfs/dbraw/zinc/03/99/44/459039944.db2.gz PCDNLSRGUKLVRR-UHFFFAOYSA-N 1 0 327.384 3.276 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCc2nc(C)ncc2C1 ZINC000532202766 459046616 /nfs/dbraw/zinc/04/66/16/459046616.db2.gz YDRVHRQJFOBGKD-WFASDCNBSA-N 1 0 326.400 3.210 20 5 EGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC[C@](O)(C(F)(F)F)C1 ZINC000589950034 459055806 /nfs/dbraw/zinc/05/58/06/459055806.db2.gz RYINKCBHBHIKHS-OSAQELSMSA-N 1 0 346.349 3.351 20 5 EGBDRO Cc1c([C@H](C)[NH2+][C@@H](CO)Cc2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000557274364 459060547 /nfs/dbraw/zinc/06/05/47/459060547.db2.gz SFPOLJVIEZJILP-XJKSGUPXSA-N 1 0 332.375 3.297 20 5 EGBDRO C[C@H](C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)N1CCCC[C@H]1C ZINC000520499955 459065235 /nfs/dbraw/zinc/06/52/35/459065235.db2.gz UAUICFHBATYIID-NCOADZHNSA-N 1 0 349.479 3.128 20 5 EGBDRO O=[N+]([O-])c1cccc(F)c1N1CCN(CCc2cccs2)CC1 ZINC000557421318 459069956 /nfs/dbraw/zinc/06/99/56/459069956.db2.gz YLECEZJULCYFGS-UHFFFAOYSA-N 1 0 335.404 3.160 20 5 EGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@]1(CO)C[C@@H]1c1ccccc1 ZINC000594518371 459075568 /nfs/dbraw/zinc/07/55/68/459075568.db2.gz GNNCYIWKMLATNV-WSTZPKSXSA-N 1 0 338.407 3.338 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[NH2+]C2(CCCCC2)C1 ZINC000594629002 459118506 /nfs/dbraw/zinc/11/85/06/459118506.db2.gz UZKCNRLUHBYHOE-UHFFFAOYSA-N 1 0 345.443 3.268 20 5 EGBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000590687391 459182896 /nfs/dbraw/zinc/18/28/96/459182896.db2.gz VSVTXLYCVXFPDZ-ZDUSSCGKSA-N 1 0 344.415 3.118 20 5 EGBDRO Cc1c(C[NH2+]Cc2ccc(O[C@H]3CCOC3)cc2)cccc1[N+](=O)[O-] ZINC000594940952 459185358 /nfs/dbraw/zinc/18/53/58/459185358.db2.gz WJSZLVDPDNQRET-SFHVURJKSA-N 1 0 342.395 3.361 20 5 EGBDRO CCC[N@H+](CC)C[C@@H](C)Nc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000578408634 459195901 /nfs/dbraw/zinc/19/59/01/459195901.db2.gz HDKQZPYLIBFDQO-CYBMUJFWSA-N 1 0 348.447 3.019 20 5 EGBDRO C[C@H](c1ccccc1)[C@H](O)C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000595000549 459209925 /nfs/dbraw/zinc/20/99/25/459209925.db2.gz LGEVCNNATQTRHN-BGRHOPRASA-N 1 0 326.396 3.362 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCCCn1ccnc1C ZINC000595026559 459220445 /nfs/dbraw/zinc/22/04/45/459220445.db2.gz PPFUGEFHZJPWDJ-CYBMUJFWSA-N 1 0 332.404 3.239 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](CCO)c1ccccc1 ZINC000595029317 459222192 /nfs/dbraw/zinc/22/21/92/459222192.db2.gz WOIWXBWEJUFCMO-SUMWQHHRSA-N 1 0 330.384 3.378 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H](CO)c1ccc(F)cc1 ZINC000595054172 459229544 /nfs/dbraw/zinc/22/95/44/459229544.db2.gz YOPYWQWFQDWMKQ-TZMCWYRMSA-N 1 0 348.374 3.169 20 5 EGBDRO CC[C@@H](C)[C@@H](C)[N@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C1CC1 ZINC000533422402 459232583 /nfs/dbraw/zinc/23/25/83/459232583.db2.gz KFZQLSBWGFWBTJ-CHWSQXEVSA-N 1 0 349.431 3.441 20 5 EGBDRO Cc1c([C@@H](C)[NH2+]CC(C)(C)[C@]2(O)CCCOC2)cccc1[N+](=O)[O-] ZINC000595099951 459246132 /nfs/dbraw/zinc/24/61/32/459246132.db2.gz HHKWPJGEXPMANA-KDOFPFPSSA-N 1 0 336.432 3.122 20 5 EGBDRO COc1ccc(C[C@H]2CCC[N@H+](Cc3onc(C)c3[N+](=O)[O-])C2)cc1 ZINC000595323832 459275675 /nfs/dbraw/zinc/27/56/75/459275675.db2.gz ANCAIGKMBFUTGA-OAHLLOKOSA-N 1 0 345.399 3.355 20 5 EGBDRO COc1ccc(C[C@@H]2CCC[N@H+](Cc3onc(C)c3[N+](=O)[O-])C2)cc1 ZINC000595323831 459275701 /nfs/dbraw/zinc/27/57/01/459275701.db2.gz ANCAIGKMBFUTGA-HNNXBMFYSA-N 1 0 345.399 3.355 20 5 EGBDRO Cc1noc(CN2CC=C(c3c[nH]c4ncccc34)CC2)c1[N+](=O)[O-] ZINC000595354970 459283072 /nfs/dbraw/zinc/28/30/72/459283072.db2.gz QATSLHXZZRRAKA-UHFFFAOYSA-N 1 0 339.355 3.057 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCC[C@@H]3COC[C@@H]32)o1 ZINC000590972161 459286600 /nfs/dbraw/zinc/28/66/00/459286600.db2.gz MVQUPVVUFUNSHF-DYVFJYSZSA-N 1 0 328.368 3.466 20 5 EGBDRO C[C@H](C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000581989530 459287703 /nfs/dbraw/zinc/28/77/03/459287703.db2.gz RXNSLRTWIMDYGT-QLFBSQMISA-N 1 0 345.443 3.347 20 5 EGBDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000595482646 459318727 /nfs/dbraw/zinc/31/87/27/459318727.db2.gz SYTBDKWRTKFIHY-GJZGRUSLSA-N 1 0 348.447 3.075 20 5 EGBDRO O=[N+]([O-])c1cccc(F)c1CN1CCC([NH2+]Cc2ccccc2)CC1 ZINC000595509621 459330764 /nfs/dbraw/zinc/33/07/64/459330764.db2.gz GEDKSYPKSUKSAJ-UHFFFAOYSA-N 1 0 343.402 3.488 20 5 EGBDRO COc1ccc(OCC[N@@H+]2CC[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000482938310 459330938 /nfs/dbraw/zinc/33/09/38/459330938.db2.gz SJGWIKMQKZGLQE-MRXNPFEDSA-N 1 0 328.368 3.429 20 5 EGBDRO O=[N+]([O-])c1ccccc1OCCN1CCC[C@@H](OCC(F)(F)F)C1 ZINC000524252054 459352790 /nfs/dbraw/zinc/35/27/90/459352790.db2.gz YYZRQZLDSRDUPM-GFCCVEGCSA-N 1 0 348.321 3.017 20 5 EGBDRO CCOc1cc(C[N@H+](C)[C@H](CO)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000595591500 459358661 /nfs/dbraw/zinc/35/86/61/459358661.db2.gz IZSAITPYBGOSBX-KRWDZBQOSA-N 1 0 344.411 3.029 20 5 EGBDRO Cc1ccc([C@@H](C)NC(=O)C[C@H]([NH3+])Cc2ccccc2)cc1[N+](=O)[O-] ZINC000569109857 459397461 /nfs/dbraw/zinc/39/74/61/459397461.db2.gz RWUKSDBSBMTYTO-RHSMWYFYSA-N 1 0 341.411 3.041 20 5 EGBDRO CCCCO[C@@H]1C[C@@H]([NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])C1(C)C ZINC000569134069 459402250 /nfs/dbraw/zinc/40/22/50/459402250.db2.gz DXPHNPMVJKVKCH-HZPDHXFCSA-N 1 0 349.431 3.107 20 5 EGBDRO CC[C@H](C)[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000541347852 459447823 /nfs/dbraw/zinc/44/78/23/459447823.db2.gz TWRZJTYYWQACEN-JYJNAYRXSA-N 1 0 336.432 3.235 20 5 EGBDRO CC(C)[NH+]1CCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC1 ZINC000485397956 459452786 /nfs/dbraw/zinc/45/27/86/459452786.db2.gz DFBBCNYOKQVBLZ-UHFFFAOYSA-N 1 0 344.390 3.326 20 5 EGBDRO Cc1ccc([C@@H](C)NC(=O)c2cc3c(s2)CC[NH2+]C3)cc1[N+](=O)[O-] ZINC000595929283 459489041 /nfs/dbraw/zinc/48/90/41/459489041.db2.gz IVUCLNDALLHGRD-LLVKDONJSA-N 1 0 345.424 3.101 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](NCCN2CCCCC2)C(F)(F)F)cc1 ZINC000569817529 459515678 /nfs/dbraw/zinc/51/56/78/459515678.db2.gz OPDITGKKSGCCQS-CQSZACIVSA-N 1 0 331.338 3.274 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]Cc1cnn2ccccc12)C1CC1 ZINC000569950637 459538063 /nfs/dbraw/zinc/53/80/63/459538063.db2.gz WRBPXQQZGZISHQ-KRWDZBQOSA-N 1 0 336.395 3.353 20 5 EGBDRO C[NH+](C)[C@@H]1CCCN(c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000596209348 459560447 /nfs/dbraw/zinc/56/04/47/459560447.db2.gz SPELGAOIEJGVIA-LLVKDONJSA-N 1 0 342.237 3.278 20 5 EGBDRO O=[N+]([O-])c1cncc(Cl)c1N1CCC([NH2+]Cc2ccccc2)CC1 ZINC000596251987 459574720 /nfs/dbraw/zinc/57/47/20/459574720.db2.gz BLJNPGGJTATHJS-UHFFFAOYSA-N 1 0 346.818 3.402 20 5 EGBDRO CC[C@@H](C)C[C@@H](CO)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000592374366 459583383 /nfs/dbraw/zinc/58/33/83/459583383.db2.gz CMCKZLFWQCFTPV-PWSUYJOCSA-N 1 0 332.347 3.083 20 5 EGBDRO C[C@@H]1COc2ccccc2C[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000542944511 459612858 /nfs/dbraw/zinc/61/28/58/459612858.db2.gz WJQMDHYKPSRAIQ-CQSZACIVSA-N 1 0 328.368 3.257 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCO[C@@H](c2nccn2C)C1 ZINC000562784337 459646706 /nfs/dbraw/zinc/64/67/06/459646706.db2.gz XACQPESYSQUUKJ-GRDNDAEWSA-N 1 0 344.415 3.208 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@H+](C)C1CCCC1 ZINC000584143113 459664143 /nfs/dbraw/zinc/66/41/43/459664143.db2.gz KHHOIPYSILYLHZ-UHFFFAOYSA-N 1 0 334.420 3.153 20 5 EGBDRO C[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]2CCCC[C@@H]12 ZINC000501005021 459706292 /nfs/dbraw/zinc/70/62/92/459706292.db2.gz CSXVPNJEIQDTHN-YCPHGPKFSA-N 1 0 331.416 3.434 20 5 EGBDRO CCc1cccc(OC[C@H](O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000584486729 459752898 /nfs/dbraw/zinc/75/28/98/459752898.db2.gz ROPWTVAWXLPXEN-RDTXWAMCSA-N 1 0 344.411 3.248 20 5 EGBDRO CC(C)(C)CC[NH+]1CCN(c2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000544410354 459757223 /nfs/dbraw/zinc/75/72/23/459757223.db2.gz KJDVHVNMDWDVEI-UHFFFAOYSA-N 1 0 343.431 3.096 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCC([C@@H](C)CO)CC1 ZINC000593085990 459768535 /nfs/dbraw/zinc/76/85/35/459768535.db2.gz ZUOMSBSQAOUHTN-AWEZNQCLSA-N 1 0 336.432 3.222 20 5 EGBDRO C[C@@H](CCNC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)[NH+](C)C ZINC000596829169 459773065 /nfs/dbraw/zinc/77/30/65/459773065.db2.gz OZFHBKKHLYSEGJ-VIFPVBQESA-N 1 0 348.325 3.075 20 5 EGBDRO C[C@@H](CC1CCCCC1)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000566063664 459800480 /nfs/dbraw/zinc/80/04/80/459800480.db2.gz GPBULJWUZRJMIE-HOCLYGCPSA-N 1 0 336.432 3.283 20 5 EGBDRO C[C@H](O)C[C@H]1CCCCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000586779755 459870375 /nfs/dbraw/zinc/87/03/75/459870375.db2.gz YGCGHNSNSCCJRT-DOTOQJQBSA-N 1 0 336.432 3.379 20 5 EGBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+]2CCC3(CCCCC3)CC2)c1 ZINC000608833238 459888586 /nfs/dbraw/zinc/88/85/86/459888586.db2.gz DCIAOBLEAIJOPA-KRWDZBQOSA-N 1 0 348.443 3.381 20 5 EGBDRO C[C@@H]1C[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@@]1(C)CO ZINC000597236310 459889044 /nfs/dbraw/zinc/88/90/44/459889044.db2.gz PRJZWRWPCAGTCS-PXAZEXFGSA-N 1 0 347.440 3.169 20 5 EGBDRO Cn1cc(C[N@H+](C)C[C@@H]2CC2(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000597254918 459897062 /nfs/dbraw/zinc/89/70/62/459897062.db2.gz PWXGURMENCKDBF-HNNXBMFYSA-N 1 0 328.416 3.473 20 5 EGBDRO C[C@H](C[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000608976743 459898104 /nfs/dbraw/zinc/89/81/04/459898104.db2.gz MSEVZXYETYFFPK-CRAIPNDOSA-N 1 0 344.411 3.070 20 5 EGBDRO C[C@H](CN[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F)[N@H+](C)C1CC1 ZINC000593705131 459957940 /nfs/dbraw/zinc/95/79/40/459957940.db2.gz NPJCNNNHQBRXJG-YGRLFVJLSA-N 1 0 331.338 3.271 20 5 EGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCO[C@H](c2ccncc2)C1 ZINC000575329817 459962821 /nfs/dbraw/zinc/96/28/21/459962821.db2.gz RNJMAKLEFIPKNN-LJHODMEESA-N 1 0 339.395 3.487 20 5 EGBDRO C[N@H+](CCCNCc1nc2cc([N+](=O)[O-])ccc2o1)C1CCCCC1 ZINC000602503409 459971333 /nfs/dbraw/zinc/97/13/33/459971333.db2.gz OKKMFOULZURLMH-UHFFFAOYSA-N 1 0 346.431 3.480 20 5 EGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1CNC1CC[NH+](C2CC2)CC1 ZINC000602506208 459973492 /nfs/dbraw/zinc/97/34/92/459973492.db2.gz IPQVERYGLHVYOG-UHFFFAOYSA-N 1 0 343.349 3.330 20 5 EGBDRO C[C@@H](Cc1ccsc1)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602518203 459979968 /nfs/dbraw/zinc/97/99/68/459979968.db2.gz LXOOSPBOVIDSSZ-ZDUSSCGKSA-N 1 0 346.456 3.241 20 5 EGBDRO C[C@@H]1CC([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C[C@@H](C)C1 ZINC000602555191 459995476 /nfs/dbraw/zinc/99/54/76/459995476.db2.gz PEHSNOARAXNIBB-KBPBESRZSA-N 1 0 332.448 3.373 20 5 EGBDRO COc1ccc2c(c1)OCC[C@H]2[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602560270 459997231 /nfs/dbraw/zinc/99/72/31/459997231.db2.gz YUYXTVAPZAUVRK-QGZVFWFLSA-N 1 0 328.368 3.259 20 5 EGBDRO C[C@@H]([N@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)C(C)(C)C ZINC000609771033 460015848 /nfs/dbraw/zinc/01/58/48/460015848.db2.gz USFBWTPLZHNNRM-GFCCVEGCSA-N 1 0 335.404 3.259 20 5 EGBDRO C[C@H]1CCCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)[C@@H]1CC[NH3+] ZINC000593914252 460016012 /nfs/dbraw/zinc/01/60/12/460016012.db2.gz BVUPBJZCISHBOU-XJKSGUPXSA-N 1 0 347.459 3.482 20 5 EGBDRO COc1cc(C[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])sn1 ZINC000602606796 460019226 /nfs/dbraw/zinc/01/92/26/460019226.db2.gz XLLBLQQWONOGHI-UHFFFAOYSA-N 1 0 327.793 3.046 20 5 EGBDRO C[C@H]1C[NH+](CCCNc2ccc(C(F)F)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000589102994 460029698 /nfs/dbraw/zinc/02/96/98/460029698.db2.gz KTCQGYFSXZNAJI-RYUDHWBXSA-N 1 0 343.374 3.444 20 5 EGBDRO O=[N+]([O-])c1sc(C[NH2+][C@H]2CCC[C@@H]2CCO)cc1Br ZINC000602626573 460030166 /nfs/dbraw/zinc/03/01/66/460030166.db2.gz ZQUBMZCIGWTZRZ-KCJUWKMLSA-N 1 0 349.250 3.060 20 5 EGBDRO C[NH+](C)CCc1ccccc1NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602629624 460032623 /nfs/dbraw/zinc/03/26/23/460032623.db2.gz PLCZXRAPBKLMAZ-UHFFFAOYSA-N 1 0 340.383 3.452 20 5 EGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@H]2CCOc3ccccc32)n1 ZINC000618561689 460061993 /nfs/dbraw/zinc/06/19/93/460061993.db2.gz LXBGNKYARIRZTB-ARFHVFGLSA-N 1 0 342.399 3.388 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCO[C@H](c3ccncc3)C2)cc1 ZINC000602682662 460063856 /nfs/dbraw/zinc/06/38/56/460063856.db2.gz NZNIPZSQODCSEO-AEFFLSMTSA-N 1 0 327.384 3.042 20 5 EGBDRO CC(C)c1cc(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)on1 ZINC000618568451 460064700 /nfs/dbraw/zinc/06/47/00/460064700.db2.gz UIISMPSAXJAFHL-UKRRQHHQSA-N 1 0 333.392 3.176 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000589375762 460080882 /nfs/dbraw/zinc/08/08/82/460080882.db2.gz MOSOYSUMYHYECC-ZDUSSCGKSA-N 1 0 334.420 3.009 20 5 EGBDRO Cc1ccc(NC(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000594059844 460080959 /nfs/dbraw/zinc/08/09/59/460080959.db2.gz XFIARAJHUUKSRJ-GJZGRUSLSA-N 1 0 332.404 3.042 20 5 EGBDRO Cc1ccccc1C[C@H](CO)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000576172623 460085132 /nfs/dbraw/zinc/08/51/32/460085132.db2.gz RSEBIWNNVOHJFU-QAPCUYQASA-N 1 0 326.396 3.084 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594098248 460100575 /nfs/dbraw/zinc/10/05/75/460100575.db2.gz RYQDLPAKUPMHMV-HOCLYGCPSA-N 1 0 346.431 3.350 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594099747 460101065 /nfs/dbraw/zinc/10/10/65/460101065.db2.gz KHHFPHYWUHCGRC-HOCLYGCPSA-N 1 0 346.431 3.350 20 5 EGBDRO CCC[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)OCC ZINC000598989769 460119055 /nfs/dbraw/zinc/11/90/55/460119055.db2.gz TUNQCNPXSNZGKB-QGZVFWFLSA-N 1 0 346.431 3.290 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CC[C@](CO)(c2ccccc2)C1 ZINC000589737670 460133958 /nfs/dbraw/zinc/13/39/58/460133958.db2.gz PAOMHNJMQJOINM-LZVBJTEYSA-N 1 0 338.407 3.244 20 5 EGBDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000610433593 460151685 /nfs/dbraw/zinc/15/16/85/460151685.db2.gz VUNKJQFKIAIBNZ-SFHVURJKSA-N 1 0 325.412 3.301 20 5 EGBDRO O=C1Nc2ccccc2C[C@H]1[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000599073669 460152374 /nfs/dbraw/zinc/15/23/74/460152374.db2.gz GVJSRPSLLRUMCB-ZWKOTPCHSA-N 1 0 337.379 3.125 20 5 EGBDRO Cc1ncc([C@@H](C)[NH2+]CCC(=O)Nc2cccc([N+](=O)[O-])c2C)s1 ZINC000602953744 460199927 /nfs/dbraw/zinc/19/99/27/460199927.db2.gz CGJCCXXINSWYOT-LLVKDONJSA-N 1 0 348.428 3.348 20 5 EGBDRO CCC(C)(C)[NH+]1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000594388895 460201991 /nfs/dbraw/zinc/20/19/91/460201991.db2.gz CLCWTRCTOYCCGO-UHFFFAOYSA-N 1 0 344.415 3.023 20 5 EGBDRO C[N@H+](Cc1cn(Cc2c(F)cccc2[N+](=O)[O-])nn1)C1CCCCC1 ZINC000603196422 460262767 /nfs/dbraw/zinc/26/27/67/460262767.db2.gz AUSYOHQBWVHMRS-UHFFFAOYSA-N 1 0 347.394 3.138 20 5 EGBDRO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H](C)C1(F)F ZINC000599512341 460265444 /nfs/dbraw/zinc/26/54/44/460265444.db2.gz IOUJOGVNMAAWHW-TXEJJXNPSA-N 1 0 341.358 3.147 20 5 EGBDRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)c3ccc([N+](=O)[O-])cn3)C2)s1 ZINC000603402284 460297409 /nfs/dbraw/zinc/29/74/09/460297409.db2.gz QBNVHDBDERQIIK-CQSZACIVSA-N 1 0 346.456 3.318 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N(C)CCCC[NH+]2CCCCC2)c1 ZINC000603406538 460298828 /nfs/dbraw/zinc/29/88/28/460298828.db2.gz JRAAFLLESGURDQ-UHFFFAOYSA-N 1 0 333.432 3.241 20 5 EGBDRO C[C@H](Nc1ccc([N+](=O)[O-])c(OC(F)F)c1)C1CC[NH+](C)CC1 ZINC000611297412 460331554 /nfs/dbraw/zinc/33/15/54/460331554.db2.gz SNOMNSLTARFYJM-JTQLQIEISA-N 1 0 329.347 3.338 20 5 EGBDRO COc1ccc(C[N@@H+]2CCC[C@H](c3ccnc(C)n3)C2)cc1[N+](=O)[O-] ZINC000603834579 460345206 /nfs/dbraw/zinc/34/52/06/460345206.db2.gz XBZWCTLMNPTPGK-HNNXBMFYSA-N 1 0 342.399 3.081 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[NH+]2C[C@H]3CN(c4ccccc4)C[C@@H]3C2)cc1 ZINC000603905999 460356613 /nfs/dbraw/zinc/35/66/13/460356613.db2.gz NYIVNRVLJMZPOY-ROUUACIJSA-N 1 0 337.423 3.206 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CC3CC3)C2)c(Br)c1 ZINC000619586969 460390882 /nfs/dbraw/zinc/39/08/82/460390882.db2.gz LUDGNSWUYNGUSL-LLVKDONJSA-N 1 0 340.221 3.254 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000616121165 460478107 /nfs/dbraw/zinc/47/81/07/460478107.db2.gz SNAZFELQUUTTIC-AWEZNQCLSA-N 1 0 334.420 3.206 20 5 EGBDRO Cc1ccncc1[C@@H](C)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000611940150 460493427 /nfs/dbraw/zinc/49/34/27/460493427.db2.gz VKPIYZWDZYHXJK-LLVKDONJSA-N 1 0 348.790 3.241 20 5 EGBDRO COc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000601264667 460769417 /nfs/dbraw/zinc/76/94/17/460769417.db2.gz CQNHGIUXVLNBLF-INIZCTEOSA-N 1 0 328.368 3.389 20 5 EGBDRO C[C@@H](C[N@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1nccs1 ZINC000183945916 533742080 /nfs/dbraw/zinc/74/20/80/533742080.db2.gz NVULNHDAEYEXRT-NSHDSACASA-N 1 0 349.412 3.153 20 5 EGBDRO C[C@H]([NH2+]C1CCN(Cc2ccccn2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000178646521 533810486 /nfs/dbraw/zinc/81/04/86/533810486.db2.gz PCGFEBMTWUZRLJ-HNNXBMFYSA-N 1 0 340.427 3.305 20 5 EGBDRO C[C@H]([NH2+][C@@H]1CCN(c2ccccc2F)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000178655764 533989276 /nfs/dbraw/zinc/98/92/76/533989276.db2.gz ZJBDPZXCTPVRMS-BLLLJJGKSA-N 1 0 343.358 3.190 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)COCc2ccccc2)cc1[N+](=O)[O-] ZINC000178653366 534226102 /nfs/dbraw/zinc/22/61/02/534226102.db2.gz SCKKXVPRRRJDSB-YJBOKZPZSA-N 1 0 344.411 3.132 20 5 EGBDRO C[C@@H](C[S@](C)=O)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000184265783 534228469 /nfs/dbraw/zinc/22/84/69/534228469.db2.gz KZNXCWXQGAXFHA-SAHAZLINSA-N 1 0 338.454 3.180 20 5 EGBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000174486502 527832255 /nfs/dbraw/zinc/83/22/55/527832255.db2.gz NFWSORRXQBKVSB-GFCCVEGCSA-N 1 0 347.440 3.223 20 5 EGBDRO CCOc1ccc([C@H](C)[NH2+]CCCc2cnn(C)c2)cc1[N+](=O)[O-] ZINC000153507224 528606842 /nfs/dbraw/zinc/60/68/42/528606842.db2.gz MFWCRYUXEBCWRF-ZDUSSCGKSA-N 1 0 332.404 3.010 20 5 EGBDRO CC(C)(CCO)C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000266305381 535047537 /nfs/dbraw/zinc/04/75/37/535047537.db2.gz OCPMVUPNUQYXPF-UHFFFAOYSA-N 1 0 335.429 3.217 20 5 EGBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)[C@@H]1Oc1ccccc1 ZINC000187635275 535414400 /nfs/dbraw/zinc/41/44/00/535414400.db2.gz AFOZEVLIXPUHCN-INMHGKMJSA-N 1 0 348.424 3.371 20 5 EGBDRO CCc1nn(C)c(NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000354560788 536180923 /nfs/dbraw/zinc/18/09/23/536180923.db2.gz LNVADPOUERAZJA-KBPBESRZSA-N 1 0 337.468 3.061 20 5 EGBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000344648520 536352110 /nfs/dbraw/zinc/35/21/10/536352110.db2.gz CXHGUUMDZGWWMD-CQSZACIVSA-N 1 0 339.823 3.098 20 5 EGBDRO CC(C)Oc1cccc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000731677873 575199398 /nfs/dbraw/zinc/19/93/98/575199398.db2.gz AOPLZJSIDQFUTJ-SFHVURJKSA-N 1 0 330.384 3.205 20 5 EGBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000732575591 575276890 /nfs/dbraw/zinc/27/68/90/575276890.db2.gz IGGDKUILSBOWGF-VXGBXAGGSA-N 1 0 339.823 3.098 20 5 EGBDRO CC(C)[C@H](C[NH+](C)C)NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000733164196 575311873 /nfs/dbraw/zinc/31/18/73/575311873.db2.gz MDJYFRKKUXOGCF-ZDUSSCGKSA-N 1 0 335.429 3.126 20 5 EGBDRO C[NH+](C)CC[C@@H](NC(=S)Nc1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000734765640 575545940 /nfs/dbraw/zinc/54/59/40/575545940.db2.gz NBHVIMHQNUSHPG-CQSZACIVSA-N 1 0 338.477 3.248 20 5 EGBDRO Cc1ccc([C@@H](CNc2ccc([N+](=O)[O-])c3nonc32)[NH+](C)C)cc1 ZINC000742564370 576789903 /nfs/dbraw/zinc/78/99/03/576789903.db2.gz DIWHVYYVLQAOBT-OAHLLOKOSA-N 1 0 341.371 3.154 20 5 EGBDRO CC[NH+](CC)[C@H](CNc1ccc([N+](=O)[O-])c2nonc21)c1ccco1 ZINC000742564726 576789976 /nfs/dbraw/zinc/78/99/76/576789976.db2.gz RSJUJQMCUWQPGQ-CYBMUJFWSA-N 1 0 345.359 3.219 20 5 EGBDRO C[C@@H](c1ccccc1)[NH+]1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000744236377 576823759 /nfs/dbraw/zinc/82/37/59/576823759.db2.gz OQOBLIKWZLUZTJ-INIZCTEOSA-N 1 0 325.412 3.474 20 5 EGBDRO C[NH+](C)C1(CNC(=O)c2cc(F)ccc2[N+](=O)[O-])CCCCCC1 ZINC000745492530 576848596 /nfs/dbraw/zinc/84/85/96/576848596.db2.gz FULDKEQMPUXLJA-UHFFFAOYSA-N 1 0 337.395 3.118 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1C ZINC000884294965 1302798959 /nfs/dbraw/zinc/79/89/59/1302798959.db2.gz NBCJCGNEJKBOHD-HZPDHXFCSA-N 1 0 345.443 3.063 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2ncn(C[N@@H+]3CCC[C@H]3C3CCCC3)n2)c1 ZINC000055034821 1291773159 /nfs/dbraw/zinc/77/31/59/1291773159.db2.gz YNDGFLYTEKXTIG-KRWDZBQOSA-N 1 0 341.415 3.465 20 5 EGBDRO Cc1nn(C[N@H+]2C[C@H](c3ccc(F)cc3)C[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000076666028 1292436275 /nfs/dbraw/zinc/43/62/75/1292436275.db2.gz MTPMRZIXSRNRHR-XHDPSFHLSA-N 1 0 332.379 3.383 20 5 EGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)C[C@@]1(O)CCc2ccccc21 ZINC000829337810 1292563304 /nfs/dbraw/zinc/56/33/04/1292563304.db2.gz MEVDNSSYKLRRKZ-LIRRHRJNSA-N 1 0 326.396 3.422 20 5 EGBDRO Cc1cc(Cl)c(C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000832188063 1292969160 /nfs/dbraw/zinc/96/91/60/1292969160.db2.gz SJOPHPBOYHFXQS-NSHDSACASA-N 1 0 327.812 3.015 20 5 EGBDRO CC(C)(C[NH+]1CCCC1)NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000836202857 1293458756 /nfs/dbraw/zinc/45/87/56/1293458756.db2.gz NEAMCQVYSUMGMM-UHFFFAOYSA-N 1 0 340.811 3.244 20 5 EGBDRO CC[C@H]1C[N@H+](CC)CCN1C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000836201569 1293458827 /nfs/dbraw/zinc/45/88/27/1293458827.db2.gz FOABKBXYNYBIMS-LBPRGKRZSA-N 1 0 340.811 3.196 20 5 EGBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)[NH+]1CCC(C)CC1 ZINC000136690066 1293821044 /nfs/dbraw/zinc/82/10/44/1293821044.db2.gz JMZXTZCHNZTARM-GFCCVEGCSA-N 1 0 339.823 3.098 20 5 EGBDRO [NH3+]CC[C@H]1CCCCN1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000157890855 1294189641 /nfs/dbraw/zinc/18/96/41/1294189641.db2.gz KZTLBZOURHPDIV-GFCCVEGCSA-N 1 0 342.237 3.061 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C3CCC3)CC2)c(C(F)(F)F)c1 ZINC000172068988 1294428047 /nfs/dbraw/zinc/42/80/47/1294428047.db2.gz GTRVZGODPKWPOF-UHFFFAOYSA-N 1 0 329.322 3.288 20 5 EGBDRO Cc1cccc(C(=O)NCCC2CC[NH+](C(C)C)CC2)c1[N+](=O)[O-] ZINC000870960076 1296156082 /nfs/dbraw/zinc/15/60/82/1296156082.db2.gz JGZPKMIYHARIBZ-UHFFFAOYSA-N 1 0 333.432 3.144 20 5 EGBDRO CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000870989196 1296165491 /nfs/dbraw/zinc/16/54/91/1296165491.db2.gz AFVQLSBDIPHFRC-INIZCTEOSA-N 1 0 339.823 3.085 20 5 EGBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NCCCCC[NH+]1CCCCC1 ZINC000255103328 1296497194 /nfs/dbraw/zinc/49/71/94/1296497194.db2.gz UWPJXYXQHNITSB-XFXZXTDPSA-N 1 0 345.443 3.380 20 5 EGBDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000255587438 1296551175 /nfs/dbraw/zinc/55/11/75/1296551175.db2.gz COSMFTAATLNLSO-JEZWAEDTSA-N 1 0 345.443 3.092 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCc2c[nH]nc2C1 ZINC000872043675 1296692338 /nfs/dbraw/zinc/69/23/38/1296692338.db2.gz KHVGRWQSLLFGBS-ZYHUDNBSSA-N 1 0 332.429 3.248 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]C2CN(C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000305256453 1297005643 /nfs/dbraw/zinc/00/56/43/1297005643.db2.gz SBURGAGKZQAJCT-LBPRGKRZSA-N 1 0 335.404 3.173 20 5 EGBDRO Cc1c(C[NH2+][C@H]2CCO[C@H](c3ccncc3)C2)cccc1[N+](=O)[O-] ZINC000873131120 1297287411 /nfs/dbraw/zinc/28/74/11/1297287411.db2.gz MJQPDGZRMQMAET-WMZOPIPTSA-N 1 0 327.384 3.308 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000874052224 1297771243 /nfs/dbraw/zinc/77/12/43/1297771243.db2.gz CGWLPIJADABESR-UHFFFAOYSA-N 1 0 347.459 3.454 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2nc(CN3CC[C@]4(CCC[NH2+]4)C3)cs2)c1 ZINC000415144993 1297779782 /nfs/dbraw/zinc/77/97/82/1297779782.db2.gz WGULEVMQOYWGCA-QGZVFWFLSA-N 1 0 344.440 3.046 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CCC(N2CCCCC2=O)CC1 ZINC000876774861 1298977524 /nfs/dbraw/zinc/97/75/24/1298977524.db2.gz JEVSHFQHKXOILE-UHFFFAOYSA-N 1 0 345.443 3.189 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCC[C@@H](C2(C)OCCO2)C1 ZINC000877316434 1299246417 /nfs/dbraw/zinc/24/64/17/1299246417.db2.gz ZLXBROWRHSUNEJ-OAHLLOKOSA-N 1 0 334.416 3.187 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]Cc2ccc(OC(F)F)cc2)c1 ZINC000749640234 1299250690 /nfs/dbraw/zinc/25/06/90/1299250690.db2.gz RJQYUGAMKXAQFA-OAHLLOKOSA-N 1 0 338.310 3.019 20 5 EGBDRO Cc1ccc(SCC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000749637549 1299250746 /nfs/dbraw/zinc/25/07/46/1299250746.db2.gz AZXPCMPYABKJSN-QGZVFWFLSA-N 1 0 332.425 3.319 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCCO[C@@H](c3ccccc3)C2)c1 ZINC000749681864 1299253266 /nfs/dbraw/zinc/25/32/66/1299253266.db2.gz BHSQKSAUNZOSLF-RTBURBONSA-N 1 0 342.395 3.092 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1nnc(C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)o1 ZINC000878134972 1299769003 /nfs/dbraw/zinc/76/90/03/1299769003.db2.gz WDJBPZMZIXGPQK-JSGCOSHPSA-N 1 0 328.372 3.409 20 5 EGBDRO C[C@@H](NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C(C)(C)C[NH+](C)C ZINC000754375464 1300132013 /nfs/dbraw/zinc/13/20/13/1300132013.db2.gz XXYSBCHMLHVEIT-SNVBAGLBSA-N 1 0 342.827 3.346 20 5 EGBDRO O=[N+]([O-])c1ccc(OCCC[NH2+][C@H](CCO)c2cccs2)cc1 ZINC000754381679 1300133157 /nfs/dbraw/zinc/13/31/57/1300133157.db2.gz DOFSXYCOYPDTNJ-OAHLLOKOSA-N 1 0 336.413 3.139 20 5 EGBDRO CC1CC[NH+](C[C@@H]2CCCN(c3ccnc(F)c3[N+](=O)[O-])C2)CC1 ZINC000881873122 1301747416 /nfs/dbraw/zinc/74/74/16/1301747416.db2.gz XDBUXUQMQSSZSA-AWEZNQCLSA-N 1 0 336.411 3.077 20 5 EGBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000882810290 1302113417 /nfs/dbraw/zinc/11/34/17/1302113417.db2.gz CNWNVJGCZMGBGS-CQSZACIVSA-N 1 0 343.431 3.003 20 5 EGBDRO Cc1nn(C[N@@H+]2CC[C@H](c3ccco3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000764990724 1302181660 /nfs/dbraw/zinc/18/16/60/1302181660.db2.gz ZZDZBNRIDJHBMC-ZDUSSCGKSA-N 1 0 326.356 3.293 20 5 EGBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000765492120 1302273365 /nfs/dbraw/zinc/27/33/65/1302273365.db2.gz SXTXFHMHGRQYGA-CYBMUJFWSA-N 1 0 339.823 3.243 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCNc3ccccc3)CC2)cc1 ZINC000766515600 1302466463 /nfs/dbraw/zinc/46/64/63/1302466463.db2.gz RQENBHFAZDJCDL-UHFFFAOYSA-N 1 0 340.427 3.265 20 5 EGBDRO COc1cc(NCCC[NH+]2CCC(C)CC2)c([N+](=O)[O-])cc1OC ZINC000766922895 1302548298 /nfs/dbraw/zinc/54/82/98/1302548298.db2.gz BCMDTLQQWLNLTM-UHFFFAOYSA-N 1 0 337.420 3.146 20 5 EGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](O)CC(C)C ZINC000768100042 1302823633 /nfs/dbraw/zinc/82/36/33/1302823633.db2.gz OFYHOSUWEPRKOJ-KBPBESRZSA-N 1 0 326.462 3.462 20 5 EGBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1Cc1cccnc1[N+](=O)[O-] ZINC000886019625 1303321309 /nfs/dbraw/zinc/32/13/09/1303321309.db2.gz YBNDOJXFJILQCE-MRXNPFEDSA-N 1 0 340.427 3.086 20 5 EGBDRO CN(C)c1cccc([C@H]2CCC[N@@H+]2Cc2cccnc2[N+](=O)[O-])c1 ZINC000886021630 1303322277 /nfs/dbraw/zinc/32/22/77/1303322277.db2.gz ZGPATMHAGZVTBV-QGZVFWFLSA-N 1 0 326.400 3.393 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CC3(CO)CCCCC3)CC2)cc1 ZINC000773045422 1303613589 /nfs/dbraw/zinc/61/35/89/1303613589.db2.gz IZSCAZYLDPCLKW-UHFFFAOYSA-N 1 0 347.459 3.096 20 5 EGBDRO Cc1c([C@@H](C)[NH2+]CC2CN(C(=O)OC(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000773119568 1303628510 /nfs/dbraw/zinc/62/85/10/1303628510.db2.gz JAOCQGKVWVAGFW-CYBMUJFWSA-N 1 0 349.431 3.421 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000775381136 1303951527 /nfs/dbraw/zinc/95/15/27/1303951527.db2.gz QSXRGMLKEVPOJB-VHDGCEQUSA-N 1 0 340.470 3.073 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]Cc3ccc(Cl)cn3)CC2)cc1 ZINC000776172691 1304105733 /nfs/dbraw/zinc/10/57/33/1304105733.db2.gz STUKIYYTPMVFNT-UHFFFAOYSA-N 1 0 346.818 3.402 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CC[C@@H](c3ccccc3F)C2)cc1 ZINC000776582298 1304174723 /nfs/dbraw/zinc/17/47/23/1304174723.db2.gz OKWGXNVQEXCLQL-RDTXWAMCSA-N 1 0 330.359 3.257 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(C)cc2C[NH+](C)C)c1 ZINC000776926515 1304220195 /nfs/dbraw/zinc/22/01/95/1304220195.db2.gz NUNGWSNUJUXHNN-UHFFFAOYSA-N 1 0 343.383 3.226 20 5 EGBDRO CCCC[N@H+](CCOC)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000777955554 1304371887 /nfs/dbraw/zinc/37/18/87/1304371887.db2.gz OSRGBWKVZJZYGU-UHFFFAOYSA-N 1 0 332.404 3.164 20 5 EGBDRO Cc1cc(Cl)c(C(=O)NCC[N@@H+]2CCC(C)(C)C2)cc1[N+](=O)[O-] ZINC000890068736 1304670569 /nfs/dbraw/zinc/67/05/69/1304670569.db2.gz DKRXMLHJMPIWNX-UHFFFAOYSA-N 1 0 339.823 3.018 20 5 EGBDRO C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000781214800 1304792419 /nfs/dbraw/zinc/79/24/19/1304792419.db2.gz NSYUKILALCVMLE-CHWSQXEVSA-N 1 0 349.406 3.117 20 5 EGBDRO COc1c(O)ccc(C[N@@H+]2CC[C@H](c3ccccc3)C2)c1[N+](=O)[O-] ZINC000891629555 1305117102 /nfs/dbraw/zinc/11/71/02/1305117102.db2.gz GGZNIIQMZGSMQV-AWEZNQCLSA-N 1 0 328.368 3.299 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](O)CCc2ccccc2)cc1Cl ZINC000783666666 1305125189 /nfs/dbraw/zinc/12/51/89/1305125189.db2.gz JEZPDETVGFXOIE-OAHLLOKOSA-N 1 0 334.803 3.332 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cnc(CC(F)(F)F)s2)cc1 ZINC000892936320 1305615885 /nfs/dbraw/zinc/61/58/85/1305615885.db2.gz FNJYTORNBBVWCB-UHFFFAOYSA-N 1 0 345.346 3.488 20 5 EGBDRO CC1(C)[C@@H](C(F)(F)F)CC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000787322727 1305731974 /nfs/dbraw/zinc/73/19/74/1305731974.db2.gz RYMUNXOHMZOADX-STQMWFEESA-N 1 0 332.322 3.291 20 5 EGBDRO COc1c(O)ccc(CNc2ccc3c(c2)CCCN3C)c1[N+](=O)[O-] ZINC000893367533 1305851610 /nfs/dbraw/zinc/85/16/10/1305851610.db2.gz JTXHRELIXHSIJR-UHFFFAOYSA-N 1 0 343.383 3.304 20 5 EGBDRO COc1c(O)ccc(C[NH2+]C2(C)CCC(F)(F)CC2)c1[N+](=O)[O-] ZINC000893514152 1305943268 /nfs/dbraw/zinc/94/32/68/1305943268.db2.gz ATNTUYHLGTVOJP-UHFFFAOYSA-N 1 0 330.331 3.367 20 5 EGBDRO C[C@H]([NH2+]CCCOCCc1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788558102 1305970513 /nfs/dbraw/zinc/97/05/13/1305970513.db2.gz SLYDSCJMUFKVLT-HNNXBMFYSA-N 1 0 343.427 3.477 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)c1C ZINC000895728906 1309492534 /nfs/dbraw/zinc/49/25/34/1309492534.db2.gz BEGPOFIVQCINIV-JSGCOSHPSA-N 1 0 333.432 3.062 20 5 EGBDRO CCC[C@H](C)[C@H]1CCC[N@@H+]1Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000794631867 1309560418 /nfs/dbraw/zinc/56/04/18/1309560418.db2.gz DZDJMHHRSNXWMC-QWHCGFSZSA-N 1 0 333.388 3.361 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000795210736 1309697722 /nfs/dbraw/zinc/69/77/22/1309697722.db2.gz TUVRJKMIYUADLH-HDICACEKSA-N 1 0 337.423 3.471 20 5 EGBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cn1ccc(-c2nccs2)n1 ZINC000800866157 1310821121 /nfs/dbraw/zinc/82/11/21/1310821121.db2.gz UQZFZPWOWLMALF-UHFFFAOYSA-N 1 0 343.412 3.047 20 5 EGBDRO COC1([C@H](C)[NH2+]Cc2ccc(Br)c([N+](=O)[O-])c2)CCC1 ZINC000839661827 1320955230 /nfs/dbraw/zinc/95/52/30/1320955230.db2.gz ZYUPDGRSROQHFP-JTQLQIEISA-N 1 0 343.221 3.405 20 5 EGBDRO CC(C)[C@@H](C(=O)OCc1c(F)cc([N+](=O)[O-])cc1F)[NH+]1CCCC1 ZINC000803361747 1317113789 /nfs/dbraw/zinc/11/37/89/1317113789.db2.gz PFQXGSVDLJNNJQ-HNNXBMFYSA-N 1 0 342.342 3.037 20 5 EGBDRO C[NH+](C)[C@@H](CNc1c([N+](=O)[O-])cccc1[N+](=O)[O-])Cc1ccccc1 ZINC000804326243 1317219503 /nfs/dbraw/zinc/21/95/03/1317219503.db2.gz MUWUBSUOTSANMZ-CQSZACIVSA-N 1 0 344.371 3.088 20 5 EGBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[NH+](CC2CCCCC2)CC1 ZINC000804387502 1317227124 /nfs/dbraw/zinc/22/71/24/1317227124.db2.gz CEQUQSHKDYSORS-UHFFFAOYSA-N 1 0 345.443 3.500 20 5 EGBDRO CCC(=O)N1CCC2(CC1)CC[NH+](Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC000957481853 1317391341 /nfs/dbraw/zinc/39/13/41/1317391341.db2.gz SHPUZIQPQKNROG-UHFFFAOYSA-N 1 0 345.443 3.209 20 5 EGBDRO C[C@H]([NH2+]CC1(NC(=O)OC(C)(C)C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000901643680 1317457274 /nfs/dbraw/zinc/45/72/74/1317457274.db2.gz DYUKGPRTKGBPSH-LBPRGKRZSA-N 1 0 335.404 3.303 20 5 EGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1nc2c(s1)CCC2 ZINC000903191332 1317669475 /nfs/dbraw/zinc/66/94/75/1317669475.db2.gz TXUDQNMTFQMYSR-SNVBAGLBSA-N 1 0 335.404 3.400 20 5 EGBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H](O)c2ccc(C(F)(F)F)cc2)cs1 ZINC000808426008 1317675384 /nfs/dbraw/zinc/67/53/84/1317675384.db2.gz JLQAZVWHBLMPLV-LBPRGKRZSA-N 1 0 346.330 3.498 20 5 EGBDRO C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)OCC(=O)N2)c1ccc([N+](=O)[O-])cc1 ZINC000903287778 1317682904 /nfs/dbraw/zinc/68/29/04/1317682904.db2.gz PQLDSCDTTFRMFC-NEPJUHHUSA-N 1 0 341.367 3.338 20 5 EGBDRO C[C@@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1Cl)[NH+]1CCCCC1 ZINC000809911421 1317917032 /nfs/dbraw/zinc/91/70/32/1317917032.db2.gz NMAHQIRHLDTXQV-NSHDSACASA-N 1 0 340.811 3.244 20 5 EGBDRO O=C(NCC[NH+]1CCCCCC1)Nc1cccc([N+](=O)[O-])c1Cl ZINC000809919987 1317917826 /nfs/dbraw/zinc/91/78/26/1317917826.db2.gz QFKSUNYEYCFZCM-UHFFFAOYSA-N 1 0 340.811 3.246 20 5 EGBDRO C[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])[C@@H](C)C[N@@H+]1C ZINC000809970125 1317927566 /nfs/dbraw/zinc/92/75/66/1317927566.db2.gz ODAGNZSQDFSRIW-ZJUUUORDSA-N 1 0 332.231 3.426 20 5 EGBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)C1(F)CCCCC1 ZINC001020877648 1317978626 /nfs/dbraw/zinc/97/86/26/1317978626.db2.gz GBFSTLBPHCTHGH-SHTZXODSSA-N 1 0 349.406 3.004 20 5 EGBDRO CCC[N@@H+]1CCC[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2OCC)C1 ZINC000908278338 1318324060 /nfs/dbraw/zinc/32/40/60/1318324060.db2.gz GIOUGLDRDFOZID-ZDUSSCGKSA-N 1 0 335.404 3.054 20 5 EGBDRO COc1cccc([C@@H](C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)OC)c1 ZINC000858443769 1328763081 /nfs/dbraw/zinc/76/30/81/1328763081.db2.gz WZJYQEYTGXRUIA-KZULUSFZSA-N 1 0 345.399 3.224 20 5 EGBDRO C[C@@H](CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000813595533 1318600452 /nfs/dbraw/zinc/60/04/52/1318600452.db2.gz XIRXPSNHRPYEAE-AWEZNQCLSA-N 1 0 348.447 3.004 20 5 EGBDRO Cc1cc(Cl)c(C(=O)OCCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000815407289 1318980504 /nfs/dbraw/zinc/98/05/04/1318980504.db2.gz OCAMDBKAUPJDPS-UHFFFAOYSA-N 1 0 326.780 3.199 20 5 EGBDRO CC[NH+](CC)CCOC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000815511634 1319008706 /nfs/dbraw/zinc/00/87/06/1319008706.db2.gz RCHMKXYRIRDDOR-UHFFFAOYSA-N 1 0 334.294 3.112 20 5 EGBDRO Cc1ccc([C@H](C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)N(C)C)cc1 ZINC000815570611 1319017557 /nfs/dbraw/zinc/01/75/57/1319017557.db2.gz IEXJMUWMUYGZTJ-KUHUBIRLSA-N 1 0 342.443 3.439 20 5 EGBDRO CCCCn1cc(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)c(C)n1 ZINC000815600178 1319023919 /nfs/dbraw/zinc/02/39/19/1319023919.db2.gz NJTORZNVTUVIIK-GFCCVEGCSA-N 1 0 331.420 3.333 20 5 EGBDRO C[C@H]([NH2+][C@@H]1CCOc2c(F)cccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815619669 1319030047 /nfs/dbraw/zinc/03/00/47/1319030047.db2.gz USZLEUSMVBXQMX-ZUZCIYMTSA-N 1 0 331.347 3.491 20 5 EGBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1ccc([C@@H](C)[NH3+])cc1)CC2 ZINC000817998811 1319488045 /nfs/dbraw/zinc/48/80/45/1319488045.db2.gz JSTRTQNMQGXVKV-GFCCVEGCSA-N 1 0 325.368 3.126 20 5 EGBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@@H]([NH3+])CC1CCCCC1)CC2 ZINC000818608349 1319568580 /nfs/dbraw/zinc/56/85/80/1319568580.db2.gz AFZASKNYXPCHMJ-HNNXBMFYSA-N 1 0 331.416 3.090 20 5 EGBDRO CC(C)[C@H](CNC[C@H](O)c1ccc([N+](=O)[O-])cc1)[NH+]1CCCCCC1 ZINC000819017268 1319614498 /nfs/dbraw/zinc/61/44/98/1319614498.db2.gz FWXXQNRESHUPTJ-OALUTQOASA-N 1 0 349.475 3.118 20 5 EGBDRO CC(C)(C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000819015840 1319615490 /nfs/dbraw/zinc/61/54/90/1319615490.db2.gz QLAVUKOVNJGLKS-QGZVFWFLSA-N 1 0 332.375 3.335 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCCc2c[nH]c3ccccc23)c1 ZINC000819035331 1319619055 /nfs/dbraw/zinc/61/90/55/1319619055.db2.gz VKOSWEWDUVJPBC-IBGZPJMESA-N 1 0 339.395 3.332 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCc2ccc(F)cc2Cl)c1 ZINC000819070606 1319626586 /nfs/dbraw/zinc/62/65/86/1319626586.db2.gz XXACPOSPXJDCTA-MRXNPFEDSA-N 1 0 338.766 3.253 20 5 EGBDRO CC(C)(C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000819083120 1319630857 /nfs/dbraw/zinc/63/08/57/1319630857.db2.gz ZYDSHSVIFYWLOY-SFHVURJKSA-N 1 0 328.412 3.487 20 5 EGBDRO Cc1ccc(NCCC[NH2+]C[C@H](O)c2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000819093354 1319633233 /nfs/dbraw/zinc/63/32/33/1319633233.db2.gz NSOQUKWGVKTJNO-SFHVURJKSA-N 1 0 347.390 3.168 20 5 EGBDRO Cc1cc(C)cc(C[C@H](C)[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000819110927 1319638076 /nfs/dbraw/zinc/63/80/76/1319638076.db2.gz KRYHVFJQIDGDDY-HNAYVOBHSA-N 1 0 328.412 3.466 20 5 EGBDRO CSc1ccc(F)cc1C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819127773 1319641902 /nfs/dbraw/zinc/64/19/02/1319641902.db2.gz KNFXCDJJNHMTJN-HNNXBMFYSA-N 1 0 336.388 3.279 20 5 EGBDRO CCO[C@@H](CC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000819128761 1319643026 /nfs/dbraw/zinc/64/30/26/1319643026.db2.gz RPWXAVVJVHYUEO-ROUUACIJSA-N 1 0 336.432 3.203 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@H]2CCOC3(CCCCC3)C2)cc1 ZINC000819175094 1319658066 /nfs/dbraw/zinc/65/80/66/1319658066.db2.gz UGAFNNSTYUMFQD-RDJZCZTQSA-N 1 0 334.416 3.100 20 5 EGBDRO CC(C)(C)c1nc(CC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cs1 ZINC000819197482 1319665858 /nfs/dbraw/zinc/66/58/58/1319665858.db2.gz KETAQJZJKDYWFM-HNNXBMFYSA-N 1 0 349.456 3.215 20 5 EGBDRO COc1cccc(Cl)c1C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819262039 1319683212 /nfs/dbraw/zinc/68/32/12/1319683212.db2.gz PQPAHAHCZPIXQL-OAHLLOKOSA-N 1 0 336.775 3.080 20 5 EGBDRO CCOc1ccc([C@@H]2C[C@H]2[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000819282018 1319687645 /nfs/dbraw/zinc/68/76/45/1319687645.db2.gz RNQWVYFQWLAUJB-IPMKNSEASA-N 1 0 342.395 3.173 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](O)CNC[C@H]2CCC[N@@H+]2C2CCCCC2)cc1 ZINC000819285917 1319690177 /nfs/dbraw/zinc/69/01/77/1319690177.db2.gz JMWDGSZFZMWQMI-MOPGFXCFSA-N 1 0 347.459 3.015 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@@H]2CSc3ccccc32)cc1 ZINC000819336707 1319702782 /nfs/dbraw/zinc/70/27/82/1319702782.db2.gz KMLPBKMVSBWMQP-CJNGLKHVSA-N 1 0 330.409 3.107 20 5 EGBDRO C[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)c2ccccc2O1 ZINC000819341883 1319704593 /nfs/dbraw/zinc/70/45/93/1319704593.db2.gz MLMSETHZFBWIPS-JLZZUVOBSA-N 1 0 328.368 3.130 20 5 EGBDRO C[C@]1(CC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1(Cl)Cl ZINC000819350867 1319706744 /nfs/dbraw/zinc/70/67/44/1319706744.db2.gz STMKZGVDWMVSIF-STQMWFEESA-N 1 0 333.215 3.192 20 5 EGBDRO CC1(C)CC(NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC(C)(C)[NH2+]1 ZINC000916826775 1319711137 /nfs/dbraw/zinc/71/11/37/1319711137.db2.gz PSEIGPZXWQWRKM-YFHOEESVSA-N 1 0 331.416 3.033 20 5 EGBDRO O=C(NCCCCC[NH+]1CCCC1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000820630056 1319925094 /nfs/dbraw/zinc/92/50/94/1319925094.db2.gz IDPKBJVKWCYEEN-ZWKOTPCHSA-N 1 0 345.443 3.081 20 5 EGBDRO O=[N+]([O-])c1c(Br)cccc1N1CCC([NH2+]C2CC2)CC1 ZINC000820675936 1319933543 /nfs/dbraw/zinc/93/35/43/1319933543.db2.gz MYMRLTVBRGRNEN-UHFFFAOYSA-N 1 0 340.221 3.078 20 5 EGBDRO C[C@H]1C[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c2nccn21 ZINC000825017603 1320304055 /nfs/dbraw/zinc/30/40/55/1320304055.db2.gz VUEARLQCZJCLRR-GUYCJALGSA-N 1 0 341.415 3.056 20 5 EGBDRO C[S@](=O)[C@@H]1CCC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000826910435 1320413529 /nfs/dbraw/zinc/41/35/29/1320413529.db2.gz HWARGNQGEQXIOE-DCVWQXJKSA-N 1 0 330.837 3.028 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](C)[NH+]2CCCCC2)cc1Cl ZINC000836443411 1320488576 /nfs/dbraw/zinc/48/85/76/1320488576.db2.gz GSCOBFJUWSUABN-GFCCVEGCSA-N 1 0 339.823 3.161 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C(=O)OCCC[NH+]2CCCC2)cc1Cl ZINC000838344556 1320763410 /nfs/dbraw/zinc/76/34/10/1320763410.db2.gz GWBKRMAVZKOEEB-UHFFFAOYSA-N 1 0 326.780 3.199 20 5 EGBDRO COC(=O)CC1([NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCC1 ZINC000838918985 1320835270 /nfs/dbraw/zinc/83/52/70/1320835270.db2.gz YMMDCLPBDYGXJG-UHFFFAOYSA-N 1 0 347.198 3.477 20 5 EGBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C)CC2 ZINC000840409296 1321087513 /nfs/dbraw/zinc/08/75/13/1321087513.db2.gz IILZFLXZTPEAJZ-MCIONIFRSA-N 1 0 331.416 3.054 20 5 EGBDRO O=[N+]([O-])c1ccc(Cl)c(CNC[C@H]2[NH2+]CCc3ccccc32)c1 ZINC000841069170 1321213209 /nfs/dbraw/zinc/21/32/09/1321213209.db2.gz PFZBOZYRAFPKTP-QGZVFWFLSA-N 1 0 331.803 3.225 20 5 EGBDRO [NH3+]C[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1Cl)C1CCCCC1 ZINC000841232948 1321237171 /nfs/dbraw/zinc/23/71/71/1321237171.db2.gz HGJFLEUKIUAZBR-LBPRGKRZSA-N 1 0 340.811 3.277 20 5 EGBDRO COC(=O)N1CCC[C@@H]([NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000841748357 1321306178 /nfs/dbraw/zinc/30/61/78/1321306178.db2.gz WXWVOBSVAFBRFU-RHSMWYFYSA-N 1 0 347.415 3.183 20 5 EGBDRO COCCCCN(C)Cc1cc([N+](=O)[O-])ccc1Br ZINC000930745442 1328955441 /nfs/dbraw/zinc/95/54/41/1328955441.db2.gz XZNUFEJUCVZRIG-UHFFFAOYSA-N 1 0 331.210 3.216 20 5 EGBDRO Cc1cc(Cc2noc(C[C@@H](C)C3CC[NH2+]CC3)n2)ccc1[N+](=O)[O-] ZINC000843192758 1321484819 /nfs/dbraw/zinc/48/48/19/1321484819.db2.gz YWEYQEIKLKVAIK-GFCCVEGCSA-N 1 0 344.415 3.055 20 5 EGBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCc1ccccc1C[NH+](C)C ZINC000843757402 1321544362 /nfs/dbraw/zinc/54/43/62/1321544362.db2.gz SEYDVXDXXUNQSH-UHFFFAOYSA-N 1 0 345.374 3.034 20 5 EGBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)Nc1ccccc1CC[NH+](C)C ZINC000843862309 1321553972 /nfs/dbraw/zinc/55/39/72/1321553972.db2.gz HTSQMICLDVVQPY-UHFFFAOYSA-N 1 0 345.374 3.399 20 5 EGBDRO CC(C)(C)[N@@H+]1CC[C@@H]1COC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000845738307 1321738845 /nfs/dbraw/zinc/73/88/45/1321738845.db2.gz DXDJSNULICTYLG-GFCCVEGCSA-N 1 0 326.780 3.278 20 5 EGBDRO CC[C@H](C(=O)O[C@@H](c1ccccc1F)[C@@H](C)[N+](=O)[O-])[NH+](CC)CC ZINC000845873245 1321747127 /nfs/dbraw/zinc/74/71/27/1321747127.db2.gz CCLKFBDQAYNOKA-DAXOMENPSA-N 1 0 340.395 3.196 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000930862114 1328989807 /nfs/dbraw/zinc/98/98/07/1328989807.db2.gz ILTOZZRUMLGSAR-AWEZNQCLSA-N 1 0 334.420 3.065 20 5 EGBDRO COc1ccc(NC(=[NH2+])NCCc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000849077075 1322068243 /nfs/dbraw/zinc/06/82/43/1322068243.db2.gz LDXBRTXCHMVYBV-UHFFFAOYSA-N 1 0 348.790 3.436 20 5 EGBDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000849301089 1322109094 /nfs/dbraw/zinc/10/90/94/1322109094.db2.gz MRBJAZVLAXRCJG-CYBMUJFWSA-N 1 0 336.461 3.002 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H]1CSCCS1 ZINC000850439258 1322249558 /nfs/dbraw/zinc/24/95/58/1322249558.db2.gz GSZFCFZTAQNFDG-PWSUYJOCSA-N 1 0 328.459 3.103 20 5 EGBDRO C[C@@H](N[C@H]1CC[N@@H+](C2CCCCC2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850537947 1322262674 /nfs/dbraw/zinc/26/26/74/1322262674.db2.gz BKVVQDSFEXVTQR-HIFRSBDPSA-N 1 0 332.448 3.235 20 5 EGBDRO C[C@@H]([NH2+]C[C@H]1CCN1Cc1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850578910 1322272114 /nfs/dbraw/zinc/27/21/14/1322272114.db2.gz QZTSKNOGVWRJER-RHSMWYFYSA-N 1 0 340.427 3.102 20 5 EGBDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000931297313 1329088376 /nfs/dbraw/zinc/08/83/76/1329088376.db2.gz HVTAKACJCAZCDB-JTQLQIEISA-N 1 0 340.811 3.243 20 5 EGBDRO COc1c(C)[nH]cc(C[N@H+](C)[C@@H](C)c2cc([N+](=O)[O-])ccc2C)c1=O ZINC000931325026 1329094538 /nfs/dbraw/zinc/09/45/38/1329094538.db2.gz OQVMJVZMZYNAJO-ZDUSSCGKSA-N 1 0 345.399 3.102 20 5 EGBDRO CC1CCC(O)(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000853238442 1325069273 /nfs/dbraw/zinc/06/92/73/1325069273.db2.gz IYRULRRPYUKEGO-UHFFFAOYSA-N 1 0 347.459 3.094 20 5 EGBDRO Nc1ccc(NC2CC[NH+](CC3CCCCC3)CC2)nc1[N+](=O)[O-] ZINC000853237846 1325069341 /nfs/dbraw/zinc/06/93/41/1325069341.db2.gz YIUXIRABFILBOI-UHFFFAOYSA-N 1 0 333.436 3.029 20 5 EGBDRO C[NH+](C)C[C@@H]1CCCN(c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000853244280 1325069629 /nfs/dbraw/zinc/06/96/29/1325069629.db2.gz FXAFEMSGUUHYAW-NSHDSACASA-N 1 0 342.237 3.135 20 5 EGBDRO O=[N+]([O-])c1cn(C[N@@H+]2CC[C@@H](C3CCCC3)C2)nc1-c1ccccn1 ZINC000853517667 1325112861 /nfs/dbraw/zinc/11/28/61/1325112861.db2.gz AHYWUBKFNYBTHY-OAHLLOKOSA-N 1 0 341.415 3.323 20 5 EGBDRO O=[N+]([O-])c1cn(C[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)nc1-c1ccncc1 ZINC000853634644 1325137659 /nfs/dbraw/zinc/13/76/59/1325137659.db2.gz XGXWMEGGIACMTR-HOCLYGCPSA-N 1 0 341.415 3.465 20 5 EGBDRO O=[N+]([O-])c1cccc([N+](=O)[O-])c1NCC1CC[NH+](CC2CC2)CC1 ZINC000853983797 1325197270 /nfs/dbraw/zinc/19/72/70/1325197270.db2.gz ASRYPSYKXUSXRQ-UHFFFAOYSA-N 1 0 334.376 3.037 20 5 EGBDRO Cc1cc(Cc2noc(C[C@@H](C[NH3+])CC(C)C)n2)ccc1[N+](=O)[O-] ZINC000854142167 1325218524 /nfs/dbraw/zinc/21/85/24/1325218524.db2.gz FLAJSHDPIFQTNB-AWEZNQCLSA-N 1 0 332.404 3.041 20 5 EGBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000855161127 1325358702 /nfs/dbraw/zinc/35/87/02/1325358702.db2.gz LJRWMUGNPUYZBN-NSHDSACASA-N 1 0 339.823 3.098 20 5 EGBDRO C[C@@H](NC(=O)Nc1cccc2c1CC[NH2+]C2)c1ccc([N+](=O)[O-])cc1 ZINC000926150070 1325449356 /nfs/dbraw/zinc/44/93/56/1325449356.db2.gz FHUXERHNLYNILD-GFCCVEGCSA-N 1 0 340.383 3.123 20 5 EGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2CCCc3cccnc32)n1 ZINC000927060373 1327834548 /nfs/dbraw/zinc/83/45/48/1327834548.db2.gz ATBOHLFPOKYOEB-ARFHVFGLSA-N 1 0 341.415 3.337 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccc4[nH]ccc4c3)CC2)cc1 ZINC000862212973 1329466367 /nfs/dbraw/zinc/46/63/67/1329466367.db2.gz YWSMKVWTHQUDEP-UHFFFAOYSA-N 1 0 336.395 3.398 20 5 EGBDRO Cc1c(CNc2ccc(OCC[NH+](C)C)cc2)cccc1[N+](=O)[O-] ZINC000864005368 1329593490 /nfs/dbraw/zinc/59/34/90/1329593490.db2.gz SEGUYGIRLRGIAT-UHFFFAOYSA-N 1 0 329.400 3.456 20 5 EGBDRO COC1CC[NH+](CCNc2ccc([N+](=O)[O-])cc2C(F)F)CC1 ZINC000865593843 1329717808 /nfs/dbraw/zinc/71/78/08/1329717808.db2.gz LKCSEZVLUVNLDJ-UHFFFAOYSA-N 1 0 329.347 3.055 20 5 EGBDRO O=[N+]([O-])c1cc(CO)c(N[C@@H]2CC[N@@H+](C3CCCCC3)C2)cc1F ZINC000865943813 1329753431 /nfs/dbraw/zinc/75/34/31/1329753431.db2.gz YQGSWJLGBFTSSP-CYBMUJFWSA-N 1 0 337.395 3.045 20 5 EGBDRO Cc1noc(CN[C@@H]2CC3(CCC3)Oc3ccccc32)c1[N+](=O)[O-] ZINC000932212470 1329796540 /nfs/dbraw/zinc/79/65/40/1329796540.db2.gz CTSLULSSFMXSLP-CYBMUJFWSA-N 1 0 329.356 3.427 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC12CC[NH+](C)CC2 ZINC000935189279 1330034256 /nfs/dbraw/zinc/03/42/56/1330034256.db2.gz IPJJWYDYZAJOPJ-UHFFFAOYSA-N 1 0 349.456 3.017 20 5 EGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H](c1ccco1)N(C)C ZINC000866216143 1330079903 /nfs/dbraw/zinc/07/99/03/1330079903.db2.gz CXKZTUODZNSBIZ-WBMJQRKESA-N 1 0 335.379 3.150 20 5 EGBDRO CC(=O)Nc1ccc(C[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])cc1 ZINC000866220679 1330079958 /nfs/dbraw/zinc/07/99/58/1330079958.db2.gz JCCXRELARORRKN-GFCCVEGCSA-N 1 0 345.374 3.413 20 5 EGBDRO Cc1ccc([C@@H](O)C[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])cc1 ZINC000866238930 1330083508 /nfs/dbraw/zinc/08/35/08/1330083508.db2.gz RVSMSNNQISZJAJ-UGSOOPFHSA-N 1 0 332.375 3.297 20 5 EGBDRO Cc1ccccc1[C@@H](O)C[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866265234 1330087507 /nfs/dbraw/zinc/08/75/07/1330087507.db2.gz JDZUZPAVGNVXLW-ACJLOTCBSA-N 1 0 332.375 3.297 20 5 EGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@](C)(O)c1ccsc1 ZINC000866271889 1330088591 /nfs/dbraw/zinc/08/85/91/1330088591.db2.gz QKNWFICZDFARKP-BDJLRTHQSA-N 1 0 338.404 3.224 20 5 EGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H](CO)c1ccccc1 ZINC000866281509 1330090080 /nfs/dbraw/zinc/09/00/80/1330090080.db2.gz IVYNIQFSFQBNLS-XJKSGUPXSA-N 1 0 332.375 3.031 20 5 EGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H](CO)c1cccc(F)c1 ZINC000866297257 1330092300 /nfs/dbraw/zinc/09/23/00/1330092300.db2.gz HWCQZEIAAMIHSK-BDJLRTHQSA-N 1 0 336.338 3.127 20 5 EGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@]1(O)CCc2ccccc21 ZINC000866310678 1330094633 /nfs/dbraw/zinc/09/46/33/1330094633.db2.gz OGDGKIACCJMLAX-YJYMSZOUSA-N 1 0 344.386 3.089 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000935938261 1330096939 /nfs/dbraw/zinc/09/69/39/1330096939.db2.gz HWEIKXDXXYLWEV-JSGCOSHPSA-N 1 0 349.456 3.016 20 5 EGBDRO CC(C)(C)C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001034782448 1342758209 /nfs/dbraw/zinc/75/82/09/1342758209.db2.gz JJBJWWYADMXVNX-SHTZXODSSA-N 1 0 333.432 3.158 20 5 EGBDRO CCC(=O)N1CCC([N@@H+](Cc2ccccc2[N+](=O)[O-])CC2CC2)CC1 ZINC001039480064 1345093668 /nfs/dbraw/zinc/09/36/68/1345093668.db2.gz FAUYYTVZPQBAQL-UHFFFAOYSA-N 1 0 345.443 3.208 20 5 EGBDRO CCC(=O)N1CCC([N@@H+](Cc2ccc([N+](=O)[O-])cc2)CC2CC2)CC1 ZINC001039480345 1345094591 /nfs/dbraw/zinc/09/45/91/1345094591.db2.gz PQURAXIBEHZDJP-UHFFFAOYSA-N 1 0 345.443 3.208 20 5 EGBDRO CC1(NC(=O)C2CCCC2)CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001045344192 1346567167 /nfs/dbraw/zinc/56/71/67/1346567167.db2.gz RJIXVWBPQHCEMS-UHFFFAOYSA-N 1 0 345.443 3.256 20 5 EGBDRO O=[N+]([O-])c1cn(C[N@@H+]2CC[C@@H]3CCCC[C@@H]3C2)nc1-c1ccncc1 ZINC001323182545 1387308359 /nfs/dbraw/zinc/30/83/59/1387308359.db2.gz JKKBMHPRJFFKPS-GOEBONIOSA-N 1 0 341.415 3.323 20 5 EGBDRO O=[N+]([O-])c1ccc(SCc2nc([C@H]3C[NH+]4CCC3CC4)no2)cc1 ZINC001325470902 1387985452 /nfs/dbraw/zinc/98/54/52/1387985452.db2.gz STRVBBWBGLDAEL-AWEZNQCLSA-N 1 0 346.412 3.079 20 5 EGBDRO CC/C=C(/C)C(=O)N1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001199576072 1369238801 /nfs/dbraw/zinc/23/88/01/1369238801.db2.gz FVIDOSVMCAIDBH-RZNTYIFUSA-N 1 0 331.416 3.032 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ncn(C[N@@H+]3CC[C@H]4CCCC[C@H]4C3)n2)cc1 ZINC001116018010 1370820639 /nfs/dbraw/zinc/82/06/39/1370820639.db2.gz SWYKMCQDAJFJNK-ZBFHGGJFSA-N 1 0 341.415 3.323 20 5 EGBDRO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC001326085463 1388110598 /nfs/dbraw/zinc/11/05/98/1388110598.db2.gz UHUDVNJHZBYPHS-GOEBONIOSA-N 1 0 348.447 3.002 20 5 EGBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1CN1CC[C@@](O)(C2CC2)C1 ZINC001117668583 1371060100 /nfs/dbraw/zinc/06/01/00/1371060100.db2.gz LSXRRNXGXPXVDE-AWEZNQCLSA-N 1 0 331.199 3.248 20 5 EGBDRO CC(C)c1ccc(C(=O)N2CCCC[C@@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC001119325966 1371312723 /nfs/dbraw/zinc/31/27/23/1371312723.db2.gz ZJYPGIHCGNHEPB-IBGZPJMESA-N 1 0 345.443 3.324 20 5 EGBDRO C[C@H](CNC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)[N@@H+]1CCCC[C@H]1C ZINC001119778298 1371403830 /nfs/dbraw/zinc/40/38/30/1371403830.db2.gz XZWGZTRKAVDGLM-DTTOXWODSA-N 1 0 345.443 3.077 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)OCCc2cn3c(n2)CCCC3)c1C ZINC001122943684 1372345296 /nfs/dbraw/zinc/34/52/96/1372345296.db2.gz UOMSHNWCIJPACO-UHFFFAOYSA-N 1 0 343.383 3.144 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001211288385 1372521988 /nfs/dbraw/zinc/52/19/88/1372521988.db2.gz SVKAKAODIJOQBR-UHFFFAOYSA-N 1 0 326.400 3.399 20 5 EGBDRO Cc1ccc(Nc2ccccc2CN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC001213667704 1372943374 /nfs/dbraw/zinc/94/33/74/1372943374.db2.gz WDLJMSHSHOXYAC-UHFFFAOYSA-N 1 0 340.427 3.394 20 5 EGBDRO CC(C)([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC001326622449 1388261314 /nfs/dbraw/zinc/26/13/14/1388261314.db2.gz AFPKMYRHNIULKU-OAHLLOKOSA-N 1 0 336.432 3.283 20 5 EGBDRO Cc1ccc(-c2nnc(C[C@@H]([NH3+])c3cccc([N+](=O)[O-])c3)o2)cc1F ZINC001217734149 1373497618 /nfs/dbraw/zinc/49/76/18/1373497618.db2.gz UDBDIQOICSJDOG-OAHLLOKOSA-N 1 0 342.330 3.335 20 5 EGBDRO Cc1cc(O[C@H]2CCCC[NH2+]C2)c([N+](=O)[O-])cc1Br ZINC001217970099 1373521927 /nfs/dbraw/zinc/52/19/27/1373521927.db2.gz HZWXNTZGCLRDAW-JTQLQIEISA-N 1 0 329.194 3.187 20 5 EGBDRO O=[N+]([O-])c1ccc(F)c(Br)c1O[C@@H]1CCCC[NH2+]C1 ZINC001217973432 1373522689 /nfs/dbraw/zinc/52/26/89/1373522689.db2.gz JLAJQLJWSSINCY-MRVPVSSYSA-N 1 0 333.157 3.017 20 5 EGBDRO O=c1c2ccc(O)cc2oc2cc(O[C@@H]3C[NH2+]CCC[C@H]3F)ccc12 ZINC001217980063 1373524720 /nfs/dbraw/zinc/52/47/20/1373524720.db2.gz IUGFNCQQAFACBO-CRAIPNDOSA-N 1 0 343.354 3.121 20 5 EGBDRO C[C@@H]1C[NH2+]CCC[C@H]1Oc1cc(Br)ccc1[N+](=O)[O-] ZINC001217986327 1373527138 /nfs/dbraw/zinc/52/71/38/1373527138.db2.gz LGOJBPRFXXNIST-BXKDBHETSA-N 1 0 329.194 3.124 20 5 EGBDRO C[C@H]1C[NH2+]CCC[C@H]1Oc1cc(F)c(Br)cc1[N+](=O)[O-] ZINC001217989900 1373528131 /nfs/dbraw/zinc/52/81/31/1373528131.db2.gz RJHSSJYSAQKOOA-QPUJVOFHSA-N 1 0 347.184 3.263 20 5 EGBDRO Cc1cc(O[C@@H]2CCC[NH2+]C[C@H]2C)c([N+](=O)[O-])cc1Br ZINC001217988891 1373528264 /nfs/dbraw/zinc/52/82/64/1373528264.db2.gz PNFBXSQDVWCPAS-ZWNOBZJWSA-N 1 0 343.221 3.433 20 5 EGBDRO CCC(C)(C)c1cc([N+](=O)[O-])c(OC2CC3(C[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC001218060464 1373550098 /nfs/dbraw/zinc/55/00/98/1373550098.db2.gz XSRACVBIVCZPFG-UHFFFAOYSA-N 1 0 349.387 3.321 20 5 EGBDRO O=[N+]([O-])c1cc2nc(O[C@@H]3CCC[C@@]34CC[NH2+]C4)[nH]c2cc1Cl ZINC001218097963 1373559971 /nfs/dbraw/zinc/55/99/71/1373559971.db2.gz WKGQJKOWMPUNHB-HIFRSBDPSA-N 1 0 336.779 3.036 20 5 EGBDRO CC(C)(C)OC(=O)c1ccc([N+](=O)[O-])c(O[C@@H]2CC[C@]23CC[NH2+]C3)c1 ZINC001218124019 1373565436 /nfs/dbraw/zinc/56/54/36/1373565436.db2.gz PHXKCEFYQJMJOQ-CRAIPNDOSA-N 1 0 348.399 3.071 20 5 EGBDRO O=[N+]([O-])c1ccc(Br)c(O[C@@H]2CCC[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC001218145156 1373568699 /nfs/dbraw/zinc/56/86/99/1373568699.db2.gz ZPKKRHVFWOPTLD-SUZMYJTESA-N 1 0 341.205 3.124 20 5 EGBDRO C[NH2+][C@H]1CC[C@H](Oc2ccc(OC(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC001218187770 1373574979 /nfs/dbraw/zinc/57/49/79/1373574979.db2.gz MTACFLKQFVYKIY-MGCOHNPYSA-N 1 0 334.294 3.403 20 5 EGBDRO Nc1ccc(O[C@H]2CCC[N@H+](Cc3ccccc3F)C2)cc1[N+](=O)[O-] ZINC001218391310 1373605071 /nfs/dbraw/zinc/60/50/71/1373605071.db2.gz UDZRAHMPUNYJKE-HNNXBMFYSA-N 1 0 345.374 3.360 20 5 EGBDRO O=[N+]([O-])c1cc(O[C@@H]2C[NH2+]CCC23CC3)c(F)cc1Br ZINC001218406590 1373608785 /nfs/dbraw/zinc/60/87/85/1373608785.db2.gz VDQJBOXRIGMDMD-GFCCVEGCSA-N 1 0 345.168 3.017 20 5 EGBDRO Cc1cc(Br)cc([N+](=O)[O-])c1O[C@@H]1CC[C@H]2C[NH2+]C[C@H]21 ZINC001218466114 1373619618 /nfs/dbraw/zinc/61/96/18/1373619618.db2.gz LHANKJGBXJWLDK-UFGOTCBOSA-N 1 0 341.205 3.043 20 5 EGBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Oc1cccnc1[N+](=O)[O-] ZINC001225629768 1375134930 /nfs/dbraw/zinc/13/49/30/1375134930.db2.gz RKFXNVRCKTWXBI-HOCLYGCPSA-N 1 0 327.384 3.279 20 5 EGBDRO O=[N+]([O-])c1ncccc1OC1CC[NH+](CCc2ccccc2)CC1 ZINC001225630482 1375135264 /nfs/dbraw/zinc/13/52/64/1375135264.db2.gz ZABTXGAQFMBWIS-UHFFFAOYSA-N 1 0 327.384 3.076 20 5 EGBDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1ncc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001225846998 1375164019 /nfs/dbraw/zinc/16/40/19/1375164019.db2.gz QPCFDPYGEXMSNH-IWIIMEHWSA-N 1 0 345.321 3.118 20 5 EGBDRO CC(C)(C)[NH+]1CCC(Oc2c([N+](=O)[O-])cc(F)cc2[N+](=O)[O-])CC1 ZINC001225895337 1375170454 /nfs/dbraw/zinc/17/04/54/1375170454.db2.gz SLDONGAXBYTGQN-UHFFFAOYSA-N 1 0 341.339 3.284 20 5 EGBDRO C[C@@H](C[N+](C)(C)C)Oc1nnc(Cc2ccncc2)c2ccccc21 ZINC001226435980 1375258651 /nfs/dbraw/zinc/25/86/51/1375258651.db2.gz VPRNNHNBNLRHQX-HNNXBMFYSA-N 1 0 337.447 3.089 20 5 EGBDRO CC(C)(C)/C=C\C(=O)NC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001226633242 1375296782 /nfs/dbraw/zinc/29/67/82/1375296782.db2.gz OZEHMFZRHUKBOP-YFHOEESVSA-N 1 0 345.443 3.278 20 5 EGBDRO Cc1cc([N+](=O)[O-])cnc1O[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001226762222 1375327724 /nfs/dbraw/zinc/32/77/24/1375327724.db2.gz QXHJPYKUBBTIOH-QGZVFWFLSA-N 1 0 327.384 3.342 20 5 EGBDRO Cc1cc([N+](=O)[O-])cnc1O[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001226765690 1375328986 /nfs/dbraw/zinc/32/89/86/1375328986.db2.gz UODLPQFVQRLHCZ-YOEHRIQHSA-N 1 0 327.384 3.198 20 5 EGBDRO C[C@@H](Oc1ccccc1[N+](=O)[O-])[C@H]1CN(Cc2ccccc2)CCO1 ZINC001227479693 1375435456 /nfs/dbraw/zinc/43/54/56/1375435456.db2.gz HXQSPXVSZMQACN-DNVCBOLYSA-N 1 0 342.395 3.263 20 5 EGBDRO COc1cccc([N+](=O)[O-])c1O[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001227694769 1375462744 /nfs/dbraw/zinc/46/27/44/1375462744.db2.gz AHNBDDXCFMVYMC-HNNXBMFYSA-N 1 0 328.368 3.257 20 5 EGBDRO CCC(C)(C)c1ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c(Cl)c1 ZINC001228696517 1375643237 /nfs/dbraw/zinc/64/32/37/1375643237.db2.gz ZCDCHORIUYQORJ-CQSZACIVSA-N 1 0 342.887 3.390 20 5 EGBDRO O=[N+]([O-])c1ccc(OC2CCN(CCF)CC2)cc1Br ZINC001229081872 1375758638 /nfs/dbraw/zinc/75/86/38/1375758638.db2.gz WROPVOZAECZGIF-UHFFFAOYSA-N 1 0 347.184 3.170 20 5 EGBDRO CC(C)[N@@H+]1CC[C@H](Oc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC001229144591 1375774494 /nfs/dbraw/zinc/77/44/94/1375774494.db2.gz GKFNLOMRDPHWQX-LBPRGKRZSA-N 1 0 329.194 3.219 20 5 EGBDRO C[NH+](C)CCc1ccc(O[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001229656911 1375873154 /nfs/dbraw/zinc/87/31/54/1375873154.db2.gz CIZYIPWTUXFEFT-LJQANCHMSA-N 1 0 326.396 3.245 20 5 EGBDRO Cc1cc(=O)oc2c1ccc(OC1CC[NH+](C(C)C)CC1)c2[N+](=O)[O-] ZINC001229945069 1375921922 /nfs/dbraw/zinc/92/19/22/1375921922.db2.gz UCUVIFBREURILB-UHFFFAOYSA-N 1 0 346.383 3.261 20 5 EGBDRO Cc1ccnc([N+](=O)[O-])c1OC1CC[NH+](CCc2ccccc2)CC1 ZINC001233553341 1376668396 /nfs/dbraw/zinc/66/83/96/1376668396.db2.gz JCLCKPKYXAHVBS-UHFFFAOYSA-N 1 0 341.411 3.384 20 5 EGBDRO O=[N+]([O-])c1ccc(OC2CCN(c3cc[nH+]cc3)CC2)c(F)c1F ZINC001233764576 1376711341 /nfs/dbraw/zinc/71/13/41/1376711341.db2.gz HTHXAXLPYUAVEN-UHFFFAOYSA-N 1 0 335.310 3.316 20 5 EGBDRO CC(C)c1cccc(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC001146622885 1378879196 /nfs/dbraw/zinc/87/91/96/1378879196.db2.gz COPKCIYUIIMTAX-UHFFFAOYSA-N 1 0 341.411 3.238 20 5 EGBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1sccc1C1CC1 ZINC001150033831 1379486996 /nfs/dbraw/zinc/48/69/96/1379486996.db2.gz AFKOEZHDTUBPAG-UHFFFAOYSA-N 1 0 345.424 3.053 20 5 EGBDRO CC(C)c1ccc(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)s1 ZINC001152777417 1379980632 /nfs/dbraw/zinc/98/06/32/1379980632.db2.gz KUSFICVIODXTAJ-UHFFFAOYSA-N 1 0 347.440 3.299 20 5 EGBDRO [NH3+]CCN(c1cccc2ccccc21)c1nc(Cl)ncc1[N+](=O)[O-] ZINC001154679864 1380330600 /nfs/dbraw/zinc/33/06/00/1380330600.db2.gz LVSIUMCYCWVOQP-UHFFFAOYSA-N 1 0 343.774 3.288 20 5 EGBDRO [NH3+][C@@H]1CCC[C@H](Nc2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)nn2)C1 ZINC001154990250 1380386329 /nfs/dbraw/zinc/38/63/29/1380386329.db2.gz ZGQFMHWTVWXNFW-NEPJUHHUSA-N 1 0 347.806 3.387 20 5 EGBDRO C[C@@H]1C[NH2+]CCC[C@@H]1CNc1cc([N+](=O)[O-])cc2c(Cl)ncnc12 ZINC001155029833 1380394559 /nfs/dbraw/zinc/39/45/59/1380394559.db2.gz NOOLWMSZBUXOOK-GHMZBOCLSA-N 1 0 349.822 3.239 20 5 EGBDRO O=[N+]([O-])c1cccc2ccc(N[C@H]3C[NH2+]Cc4ccsc43)nc21 ZINC001155561299 1380469010 /nfs/dbraw/zinc/46/90/10/1380469010.db2.gz LUDJQFHQAVLLDE-LBPRGKRZSA-N 1 0 326.381 3.461 20 5 EGBDRO COc1cccc(N(c2ncc([N+](=O)[O-])cc2C)C2CC[NH2+]CC2)c1 ZINC001155605043 1380472473 /nfs/dbraw/zinc/47/24/73/1380472473.db2.gz PRICZTPEQTZDKM-UHFFFAOYSA-N 1 0 342.399 3.197 20 5 EGBDRO CC(C)[N@H+](C)[C@H]1CCN(C(=O)c2ccnc3c2ccc2cccnc23)C1 ZINC001155812134 1380494382 /nfs/dbraw/zinc/49/43/82/1380494382.db2.gz WLANADUPPLYJKY-INIZCTEOSA-N 1 0 348.450 3.338 20 5 EGBDRO O=[N+]([O-])c1cnc(Cl)cc1NCc1cccnc1C1CC[NH2+]CC1 ZINC001155995137 1380511586 /nfs/dbraw/zinc/51/15/86/1380511586.db2.gz TZGVPGGWFILTEY-UHFFFAOYSA-N 1 0 347.806 3.117 20 5 EGBDRO Cc1cc(Cl)nc(N2CC[NH2+]C[C@@H]2c2cccs2)c1[N+](=O)[O-] ZINC001156098933 1380525560 /nfs/dbraw/zinc/52/55/60/1380525560.db2.gz TUWICHJPULGXJS-SNVBAGLBSA-N 1 0 338.820 3.164 20 5 EGBDRO C[N@@H+]1CCC[C@H](CCNc2nc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC001156377540 1380567415 /nfs/dbraw/zinc/56/74/15/1380567415.db2.gz AKRWDQMDQRMEQH-SECBINFHSA-N 1 0 333.219 3.440 20 5 EGBDRO C[N@@H+]1CCC[C@H](CCNc2nc(Cl)nc3ccc([N+](=O)[O-])cc32)C1 ZINC001156379494 1380567914 /nfs/dbraw/zinc/56/79/14/1380567914.db2.gz VPQWHTCGEKVKQS-LLVKDONJSA-N 1 0 349.822 3.335 20 5 EGBDRO CC(C(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-])=C1CCCC1 ZINC001156430698 1380575174 /nfs/dbraw/zinc/57/51/74/1380575174.db2.gz ZGSKRIKFAWFMSS-UHFFFAOYSA-N 1 0 331.416 3.081 20 5 EGBDRO [NH3+]CCc1cn(-c2nccc3ccc([N+](=O)[O-])cc32)c2ccc(O)cc12 ZINC001157219422 1380814633 /nfs/dbraw/zinc/81/46/33/1380814633.db2.gz AAFRWWXCUPRDRN-UHFFFAOYSA-N 1 0 348.362 3.294 20 5 EGBDRO C[N@@H+]1CCC[C@H]2CN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)C[C@@H]21 ZINC001157282588 1380833732 /nfs/dbraw/zinc/83/37/32/1380833732.db2.gz OHIAQCWTQBBDPQ-RDJZCZTQSA-N 1 0 338.411 3.187 20 5 EGBDRO O=[N+]([O-])c1ccc2nc(Cl)cc(-n3ccc4c3CC[NH2+]C4)c2c1 ZINC001157449751 1380901677 /nfs/dbraw/zinc/90/16/77/1380901677.db2.gz XYELAIQSQNVMHB-UHFFFAOYSA-N 1 0 328.759 3.233 20 5 EGBDRO O=[N+]([O-])c1ccc2c(ccnc2N2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC001157766834 1381028523 /nfs/dbraw/zinc/02/85/23/1381028523.db2.gz PFAKBTYRAHTPKN-SFHVURJKSA-N 1 0 334.379 3.294 20 5 EGBDRO Cc1c[nH+]ccc1N1CCN(c2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC001158110749 1381129958 /nfs/dbraw/zinc/12/99/58/1381129958.db2.gz RZVVAVMQAHAAQM-UHFFFAOYSA-N 1 0 349.394 3.173 20 5 EGBDRO CCN(c1cc(Cl)nc2ccc([N+](=O)[O-])cc21)[C@H]1CCC[NH2+]C1 ZINC001158204170 1381157887 /nfs/dbraw/zinc/15/78/87/1381157887.db2.gz FJOMTRXRUDCMTL-LBPRGKRZSA-N 1 0 334.807 3.375 20 5 EGBDRO COc1cc(C)nc(N(C2CCCC2)C2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC001158488346 1381265244 /nfs/dbraw/zinc/26/52/44/1381265244.db2.gz UJOQABBHWWOERT-UHFFFAOYSA-N 1 0 348.447 3.150 20 5 EGBDRO Cc1c(C)c(N(C2CCCC2)C2CC[NH+](C)CC2)ncc1[N+](=O)[O-] ZINC001158487507 1381265367 /nfs/dbraw/zinc/26/53/67/1381265367.db2.gz DUZHRWKNNWSBDD-UHFFFAOYSA-N 1 0 332.448 3.450 20 5 EGBDRO CC[NH+](CC)Cc1ccc(-c2nnc(-c3ccc([N+](=O)[O-])o3)o2)o1 ZINC001328291969 1388717963 /nfs/dbraw/zinc/71/79/63/1388717963.db2.gz KAXGOGVQBXSOCW-UHFFFAOYSA-N 1 0 332.316 3.340 20 5 EGBDRO O=[N+]([O-])c1cc(F)ccc1Nc1cccnc1OCC1CC[NH2+]CC1 ZINC001159295533 1381755903 /nfs/dbraw/zinc/75/59/03/1381755903.db2.gz YGZGQVWBWLXPMV-UHFFFAOYSA-N 1 0 346.362 3.251 20 5 EGBDRO Cc1nc(Cl)c([N+](=O)[O-])c(NC2CC(C)(C)[NH+](C)C(C)(C)C2)n1 ZINC001159391093 1381784572 /nfs/dbraw/zinc/78/45/72/1381784572.db2.gz AJASBWVZBRCKKI-UHFFFAOYSA-N 1 0 341.843 3.410 20 5 EGBDRO O=[N+]([O-])c1ccc(F)c(Nc2cccc(CN3CC[NH2+]CC3)c2)c1F ZINC001159637398 1381855076 /nfs/dbraw/zinc/85/50/76/1381855076.db2.gz OQWZCCHNRUAIQW-UHFFFAOYSA-N 1 0 348.353 3.022 20 5 EGBDRO O=[N+]([O-])c1ccnc(N[C@@H](Cc2ccccc2)C[NH+]2CCCC2)c1 ZINC001159651587 1381860228 /nfs/dbraw/zinc/86/02/28/1381860228.db2.gz FNOHERPLYJGIKG-INIZCTEOSA-N 1 0 326.400 3.109 20 5 EGBDRO Nc1ccccc1N(CC1CC[NH2+]CC1)c1ccc(F)cc1[N+](=O)[O-] ZINC001159895250 1381931273 /nfs/dbraw/zinc/93/12/73/1381931273.db2.gz SOMRFOUUILBIPN-UHFFFAOYSA-N 1 0 344.390 3.454 20 5 EGBDRO [NH3+][C@@H]1CCc2c3ccccc3n(-c3ccc4[nH]cc([N+](=O)[O-])c4n3)c2C1 ZINC001159948896 1381946667 /nfs/dbraw/zinc/94/66/67/1381946667.db2.gz LMPHNZIXJHFPII-LLVKDONJSA-N 1 0 347.378 3.231 20 5 EGBDRO O=[N+]([O-])/C=C/c1ccc(Nc2c(F)cccc2N2CC[NH2+]CC2)cc1 ZINC001160056947 1381985417 /nfs/dbraw/zinc/98/54/17/1381985417.db2.gz AMKUUMCYJLHVMB-DHZHZOJOSA-N 1 0 342.374 3.226 20 5 EGBDRO COc1ccc(Nc2cccc(F)c2O[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001160183981 1382027263 /nfs/dbraw/zinc/02/72/63/1382027263.db2.gz AEXHFKVLPYUHAY-GFCCVEGCSA-N 1 0 347.346 3.227 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1Nc1cccc(O[C@@H]2CCC[NH2+]C2)c1 ZINC001160219702 1382037594 /nfs/dbraw/zinc/03/75/94/1382037594.db2.gz LUFJVZNMDCCTCE-MRXNPFEDSA-N 1 0 343.383 3.478 20 5 EGBDRO O=[N+]([O-])c1ccc(F)c(Nc2cccc3c2[C@H]2C[NH2+]C[C@H]2O3)c1F ZINC001160400085 1382093927 /nfs/dbraw/zinc/09/39/27/1382093927.db2.gz PMXLEMFVRVNTGX-ISVAXAHUSA-N 1 0 333.294 3.064 20 5 EGBDRO C[C@H](C[NH3+])CN(Cc1ccccc1)c1nccc(Cl)c1[N+](=O)[O-] ZINC001160660776 1382163606 /nfs/dbraw/zinc/16/36/06/1382163606.db2.gz PZWFZJCYAQFEBV-GFCCVEGCSA-N 1 0 334.807 3.245 20 5 EGBDRO O=[N+]([O-])c1ccc2ccc(N[C@H]3CC[NH2+]C[C@@H]3C(F)(F)F)nc2c1 ZINC001160735522 1382181276 /nfs/dbraw/zinc/18/12/76/1382181276.db2.gz GGVNOERHRNFPCG-RYUDHWBXSA-N 1 0 340.305 3.095 20 5 EGBDRO COc1cccc2c1c(C[NH3+])cn2-c1nc(C)cc(Cl)c1[N+](=O)[O-] ZINC001160763822 1382189461 /nfs/dbraw/zinc/18/94/61/1382189461.db2.gz TUIYNWVATJWSAH-UHFFFAOYSA-N 1 0 346.774 3.363 20 5 EGBDRO C[C@@H]1C[NH2+]CCC[C@H]1CNc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC001162455478 1382762104 /nfs/dbraw/zinc/76/21/04/1382762104.db2.gz DEYHZPPXIGMYOV-ZJUUUORDSA-N 1 0 332.326 3.056 20 5 EGBDRO Cc1cc(NC[C@H]2C[NH2+][C@H](C)C2)c([N+](=O)[O-])cc1Br ZINC001162559344 1382790315 /nfs/dbraw/zinc/79/03/15/1382790315.db2.gz LXIJDXKWGXFBES-NXEZZACHSA-N 1 0 328.210 3.076 20 5 EGBDRO O=[N+]([O-])c1ccc2nc(Cl)cc(NC[C@@H]3CC[NH2+]C[C@@H]3F)c2c1 ZINC001162808459 1382879941 /nfs/dbraw/zinc/87/99/41/1382879941.db2.gz KTRAYOQLYSBJOD-CABZTGNLSA-N 1 0 338.770 3.156 20 5 EGBDRO C[C@H]([NH3+])c1ccc2c(ccn2-c2cc3c(c([N+](=O)[O-])c2)NN(C)C3)c1 ZINC001162914689 1382915518 /nfs/dbraw/zinc/91/55/18/1382915518.db2.gz XCPSGPLJQHQVMO-NSHDSACASA-N 1 0 337.383 3.331 20 5 EGBDRO COc1c(F)cc(N[C@@H]2CC[NH2+][C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC001163216125 1382994968 /nfs/dbraw/zinc/99/49/68/1382994968.db2.gz ZGFPRQSWQRUGDP-ZBFHGGJFSA-N 1 0 331.347 3.258 20 5 EGBDRO [NH3+]Cc1ccc(-c2cn(-c3ncc([N+](=O)[O-])c4ccccc43)cn2)cc1 ZINC001163218578 1382995746 /nfs/dbraw/zinc/99/57/46/1382995746.db2.gz PBDDZQQTMZUOKT-UHFFFAOYSA-N 1 0 345.362 3.454 20 5 EGBDRO CCOC(=O)c1cc(N[C@H]2C[NH2+]Cc3ccsc32)ccc1[N+](=O)[O-] ZINC001163229137 1382999857 /nfs/dbraw/zinc/99/98/57/1382999857.db2.gz GHDKUVSFFVIJFW-ZDUSSCGKSA-N 1 0 347.396 3.089 20 5 EGBDRO CCOC(=O)c1ccc(N[C@H]2C[NH2+]Cc3ccsc32)c([N+](=O)[O-])c1 ZINC001163231711 1383001473 /nfs/dbraw/zinc/00/14/73/1383001473.db2.gz YDYYMDLMATUJAD-ZDUSSCGKSA-N 1 0 347.396 3.089 20 5 EGBDRO Cc1cc(Cl)c([N+](=O)[O-])c(NC[C@@H]2Cc3ccccc3C[NH2+]2)n1 ZINC001163271847 1383010172 /nfs/dbraw/zinc/01/01/72/1383010172.db2.gz GUSKVBOWCZTTPG-ZDUSSCGKSA-N 1 0 332.791 3.078 20 5 EGBDRO C[C@@H](Nc1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-])c1ccc2ccccc2c1 ZINC001164144047 1383160513 /nfs/dbraw/zinc/16/05/13/1383160513.db2.gz CABXTOYOBSZGPP-GFCCVEGCSA-N 1 0 349.394 3.398 20 5 EGBDRO CC1(C)CC(CC(=O)NCCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001164483566 1383191648 /nfs/dbraw/zinc/19/16/48/1383191648.db2.gz OPXQCANXGVQAHJ-UHFFFAOYSA-N 1 0 333.432 3.017 20 5 EGBDRO O=[N+]([O-])c1cccc2ccc(N3CC[NH2+][C@@H](Cc4ccccc4)C3)nc21 ZINC001164607666 1383207010 /nfs/dbraw/zinc/20/70/10/1383207010.db2.gz IAHQKZMLRZSYGN-KRWDZBQOSA-N 1 0 348.406 3.164 20 5 EGBDRO C[N@@H+]1CCC[C@@H](CCNc2ccc3cc(F)cc([N+](=O)[O-])c3n2)C1 ZINC001165272964 1383263432 /nfs/dbraw/zinc/26/34/32/1383263432.db2.gz NKGIGVJIXBCVOI-LBPRGKRZSA-N 1 0 332.379 3.426 20 5 EGBDRO O=[N+]([O-])c1cncc(Cl)c1NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC001166899646 1383496343 /nfs/dbraw/zinc/49/63/43/1383496343.db2.gz DAXBXJRSFBTCIZ-HNNXBMFYSA-N 1 0 346.818 3.314 20 5 EGBDRO O=[N+]([O-])c1cnc(N2CCC([C@H]3CCC[NH2+]3)CC2)c2ccccc21 ZINC001166902298 1383496916 /nfs/dbraw/zinc/49/69/16/1383496916.db2.gz GPQWEXBBINPRHS-MRXNPFEDSA-N 1 0 326.400 3.111 20 5 EGBDRO C[NH2+]Cc1cn(-c2ccc3[nH]cc([N+](=O)[O-])c3n2)c2ccc(C)cc12 ZINC001167123296 1383545011 /nfs/dbraw/zinc/54/50/11/1383545011.db2.gz KGGBEQGYYIIUCP-UHFFFAOYSA-N 1 0 335.367 3.443 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1NC1(C(=O)OC(C)(C)C)CCC([NH3+])CC1 ZINC001167643191 1383696301 /nfs/dbraw/zinc/69/63/01/1383696301.db2.gz QWYVKKLQLYRWKI-UHFFFAOYSA-N 1 0 349.431 3.297 20 5 EGBDRO O=[N+]([O-])/C=C/c1ccc(Cl)cc1NCC[NH+]1CCSCC1 ZINC001167836654 1383754687 /nfs/dbraw/zinc/75/46/87/1383754687.db2.gz ARSWLEKOHPSYCK-HWKANZROSA-N 1 0 327.837 3.048 20 5 EGBDRO NC(=[NH2+])c1nccn1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC001168418292 1383901021 /nfs/dbraw/zinc/90/10/21/1383901021.db2.gz YGNGDVQQCAXGJE-UHFFFAOYSA-N 1 0 339.380 3.216 20 5 EGBDRO COc1cc([N+](=O)[O-])c(N2C[C@@H](CC[NH3+])c3ccccc32)cc1F ZINC001168549506 1383934428 /nfs/dbraw/zinc/93/44/28/1383934428.db2.gz OGAHKNARUABSNV-LLVKDONJSA-N 1 0 331.347 3.327 20 5 EGBDRO N[C@H](c1ccccc1)[C@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccccc1 ZINC001168956861 1384071005 /nfs/dbraw/zinc/07/10/05/1384071005.db2.gz CEUGXWKMYRNYNX-KCUHQSDYSA-N 1 0 339.439 3.463 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+][C@@H](c2ccccc2)[C@H](O)c2ccccc2)C1 ZINC001168965028 1384072448 /nfs/dbraw/zinc/07/24/48/1384072448.db2.gz XKERKSDGZFXBHR-JOCLIGHLSA-N 1 0 340.423 3.496 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CCc2cccc(Br)c2)C1 ZINC001168965255 1384072979 /nfs/dbraw/zinc/07/29/79/1384072979.db2.gz YTVVMKMGHYVANZ-OCCSQVGLSA-N 1 0 327.222 3.027 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C2(c3ccccc3Cl)CCOCC2)C1 ZINC001168990662 1384080363 /nfs/dbraw/zinc/08/03/63/1384080363.db2.gz CZGXLXNECOCKLQ-KGLIPLIRSA-N 1 0 338.835 3.381 20 5 EGBDRO Cc1cnc(-n2c(CCC[NH3+])nc3ccc(Cl)cc32)cc1[N+](=O)[O-] ZINC001168995258 1384081724 /nfs/dbraw/zinc/08/17/24/1384081724.db2.gz JSSKISCUOGTIPH-UHFFFAOYSA-N 1 0 345.790 3.182 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2cncn2Cc2ccccc2Cl)C1 ZINC001168998165 1384082642 /nfs/dbraw/zinc/08/26/42/1384082642.db2.gz IWMPQCOIJLWNLW-UKRRQHHQSA-N 1 0 348.834 3.120 20 5 EGBDRO CN(C)C[C@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)C12CC3CC(CC(C3)C1)C2 ZINC001169003128 1384085239 /nfs/dbraw/zinc/08/52/39/1384085239.db2.gz NSBRQTXQHIBYBF-UDCIBNOJSA-N 1 0 349.519 3.168 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCC(O)(c3ccc(Cl)cc3)CC2)C1 ZINC001169007390 1384086377 /nfs/dbraw/zinc/08/63/77/1384086377.db2.gz NCPOLBPRYFNKKB-CJNGLKHVSA-N 1 0 338.835 3.069 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H]2c2ccc(Br)cc2)C1 ZINC001169006159 1384086599 /nfs/dbraw/zinc/08/65/99/1384086599.db2.gz FMSJLLGXSUITAK-SDJAHQOYSA-N 1 0 339.233 3.340 20 5 EGBDRO COc1cccc(-c2nc(C[NH2+][C@@H]3CC[C@@H](C[N+](=O)[O-])C3)cs2)c1 ZINC001169008719 1384087803 /nfs/dbraw/zinc/08/78/03/1384087803.db2.gz UJAKANHKPOSKCY-TZMCWYRMSA-N 1 0 347.440 3.354 20 5 EGBDRO C[N@H+](Cc1cccc(Br)c1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169011674 1384088454 /nfs/dbraw/zinc/08/84/54/1384088454.db2.gz MBNAZZPNJFPXET-JSGCOSHPSA-N 1 0 327.222 3.326 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2CCc3cccc(Br)c3C2)C1 ZINC001169011343 1384088595 /nfs/dbraw/zinc/08/85/95/1384088595.db2.gz JZHDSXHYFDFCHV-AAEUAGOBSA-N 1 0 339.233 3.253 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@H](N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC001169011273 1384089052 /nfs/dbraw/zinc/08/90/52/1384089052.db2.gz JCPHGMMGSFQYRC-YRPNKDGESA-N 1 0 343.471 3.028 20 5 EGBDRO O=C1CC2(CC[NH+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)c2cc(F)ccc21 ZINC001169013986 1384089897 /nfs/dbraw/zinc/08/98/97/1384089897.db2.gz XITONBWWOUPGCU-DZGCQCFKSA-N 1 0 346.402 3.191 20 5 EGBDRO COc1ccc(C[C@@H]2CCC[N@@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C2)cc1 ZINC001169040438 1384098085 /nfs/dbraw/zinc/09/80/85/1384098085.db2.gz ZVMUVNARYQNCCY-BZSNNMDCSA-N 1 0 332.444 3.395 20 5 EGBDRO CCOc1ccc(NC2CC[NH+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)cc1 ZINC001169042132 1384098212 /nfs/dbraw/zinc/09/82/12/1384098212.db2.gz CZPNMJNBDHBUGK-CRAIPNDOSA-N 1 0 347.459 3.407 20 5 EGBDRO CCOc1cc2c(cc1OCC)C[N@@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169047103 1384100206 /nfs/dbraw/zinc/10/02/06/1384100206.db2.gz QSBVYAXZHUUVAI-YOEHRIQHSA-N 1 0 348.443 3.288 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2Cl)C1 ZINC001169051956 1384101168 /nfs/dbraw/zinc/10/11/68/1384101168.db2.gz DRDSUKDVCMPKCU-KBXIAJHMSA-N 1 0 335.835 3.048 20 5 EGBDRO CC1(C)C[C@@H](Nc2ccc3c([N+](=O)[O-])c[nH]c3n2)C[C@](C)(C[NH3+])C1 ZINC001169138596 1384112311 /nfs/dbraw/zinc/11/23/11/1384112311.db2.gz QYQMGVSPGAHOSI-DIFFPNOSSA-N 1 0 331.420 3.427 20 5 EGBDRO COc1c([N+](=O)[O-])cc(Cl)c(C)c1-n1ncc2c1cccc2C[NH3+] ZINC001169191476 1384121192 /nfs/dbraw/zinc/12/11/92/1384121192.db2.gz CABFIWDYKUMROQ-UHFFFAOYSA-N 1 0 346.774 3.363 20 5 EGBDRO [NH3+]Cc1ccc2c(n1)N(c1ccnc3c1cccc3[N+](=O)[O-])CCC2 ZINC001169590904 1384162813 /nfs/dbraw/zinc/16/28/13/1384162813.db2.gz PQRUIDMCPGCUOO-UHFFFAOYSA-N 1 0 335.367 3.081 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+][C@H]2COc3ccccc3C2)c([N+](=O)[O-])c1 ZINC001170299103 1384285068 /nfs/dbraw/zinc/28/50/68/1384285068.db2.gz PUCMFZIMQQLSCS-CZUORRHYSA-N 1 0 342.395 3.128 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+]CC[C@H](O)c2ccccc2)c([N+](=O)[O-])c1 ZINC001170308142 1384287771 /nfs/dbraw/zinc/28/77/71/1384287771.db2.gz LAKNABSCIVIHAF-KUHUBIRLSA-N 1 0 344.411 3.248 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+]CCOC2CCCCC2)c([N+](=O)[O-])c1 ZINC001170317762 1384289669 /nfs/dbraw/zinc/28/96/69/1384289669.db2.gz LEBJFMUBHZCADS-AWEZNQCLSA-N 1 0 336.432 3.473 20 5 EGBDRO COc1ccc(C[C@H](C)[N@@H+]2CC(C)(C)C[C@]2(C)CO)c([N+](=O)[O-])c1 ZINC001170335464 1384294376 /nfs/dbraw/zinc/29/43/76/1384294376.db2.gz OAHXJLYXUHYPRO-SCLBCKFNSA-N 1 0 336.432 3.017 20 5 EGBDRO COc1ccc(C[C@H](C)[NH+]2CCC3(CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC001170350989 1384298327 /nfs/dbraw/zinc/29/83/27/1384298327.db2.gz DCKPDEFWHJRJPA-HNNXBMFYSA-N 1 0 348.443 3.427 20 5 EGBDRO CC[C@H]1CC[C@H](C(=O)NCCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001171667896 1384596310 /nfs/dbraw/zinc/59/63/10/1384596310.db2.gz RWGGLXUKQZLNKY-JCNLHEQBSA-N 1 0 347.459 3.407 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]CCc1ccc(O)cc1)CC2 ZINC001172896339 1384873813 /nfs/dbraw/zinc/87/38/13/1384873813.db2.gz OIIWUILQGQVWDR-QGZVFWFLSA-N 1 0 326.396 3.380 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]C[C@@H](O)c1ccccc1)CC2 ZINC001172898710 1384873870 /nfs/dbraw/zinc/87/38/70/1384873870.db2.gz NTKWRLGDUUOZPI-IEBWSBKVSA-N 1 0 326.396 3.165 20 5 EGBDRO CCOC(CC[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1)OCC ZINC001172902533 1384874533 /nfs/dbraw/zinc/87/45/33/1384874533.db2.gz ZLYIXHBFDVMWNN-MRXNPFEDSA-N 1 0 336.432 3.221 20 5 EGBDRO [NH3+]CCN(c1ccc(F)cc1)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172904442 1384875400 /nfs/dbraw/zinc/87/54/00/1384875400.db2.gz NQEYPTJISAUGJR-KRWDZBQOSA-N 1 0 343.402 3.447 20 5 EGBDRO COc1cnccc1CC[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172907168 1384875406 /nfs/dbraw/zinc/87/54/06/1384875406.db2.gz QBSDJHJYLKDFBL-KRWDZBQOSA-N 1 0 341.411 3.078 20 5 EGBDRO CC(C)Cn1cnc(C[NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)c1 ZINC001172905550 1384875462 /nfs/dbraw/zinc/87/54/62/1384875462.db2.gz RYZJFWNMFSRABU-QGZVFWFLSA-N 1 0 342.443 3.485 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]C[C@@H]1COc3cnccc31)CC2 ZINC001172905734 1384875469 /nfs/dbraw/zinc/87/54/69/1384875469.db2.gz KEGPINHISGTFJN-CVEARBPZSA-N 1 0 339.395 3.003 20 5 EGBDRO CC[N@H+](CCCC(=O)OC)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172904857 1384875557 /nfs/dbraw/zinc/87/55/57/1384875557.db2.gz AUGKTQCPJOUZHI-MRXNPFEDSA-N 1 0 334.416 3.117 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1CCC[C@@H]1c1cnccn1)CC2 ZINC001172915177 1384877740 /nfs/dbraw/zinc/87/77/40/1384877740.db2.gz MBMXMSDWXAPABL-QFBILLFUSA-N 1 0 338.411 3.469 20 5 EGBDRO CCCCN1CC[NH+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172915442 1384877759 /nfs/dbraw/zinc/87/77/59/1384877759.db2.gz NAGBMTOVTPAITA-GOSISDBHSA-N 1 0 331.460 3.260 20 5 EGBDRO COC(=O)[C@@]1(C)CCC[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172916942 1384878677 /nfs/dbraw/zinc/87/86/77/1384878677.db2.gz VAMJPTJPXCTNDJ-LPHOPBHVSA-N 1 0 346.427 3.117 20 5 EGBDRO C[NH2+]CCc1c(C)nn([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)c1C ZINC001172918507 1384878686 /nfs/dbraw/zinc/87/86/86/1384878686.db2.gz BHRJFKFSWNOBFS-KRWDZBQOSA-N 1 0 342.443 3.290 20 5 EGBDRO CC[N@H+](C1CC1)C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173014936 1384898076 /nfs/dbraw/zinc/89/80/76/1384898076.db2.gz WUNVGABIRHGESY-UHFFFAOYSA-N 1 0 325.359 3.326 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CCOc2ccccc2)c1F ZINC001173174843 1384931204 /nfs/dbraw/zinc/93/12/04/1384931204.db2.gz DOAGXUBRESXFHU-CYBMUJFWSA-N 1 0 348.374 3.342 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@@H](C)c2cscn2)c1F ZINC001173179164 1384932576 /nfs/dbraw/zinc/93/25/76/1384932576.db2.gz NRTZYACNFWOEEY-ZJUUUORDSA-N 1 0 339.392 3.481 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@@H](C)c2nccs2)c1F ZINC001173190187 1384933303 /nfs/dbraw/zinc/93/33/03/1384933303.db2.gz VHGWNORWOZDWEP-ZJUUUORDSA-N 1 0 339.392 3.481 20 5 EGBDRO CC(C)[C@@H](N[C@@H](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C ZINC001173211198 1384936092 /nfs/dbraw/zinc/93/60/92/1384936092.db2.gz QYXQURUUDLETFE-XJKSGUPXSA-N 1 0 336.432 3.482 20 5 EGBDRO COC(=O)[C@H](N[C@H](C)Cc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC001173210050 1384936270 /nfs/dbraw/zinc/93/62/70/1384936270.db2.gz HBXJVHLEBPHHMD-CXAGYDPISA-N 1 0 334.416 3.237 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H](c1ccccc1)N(C)C ZINC001173214178 1384936869 /nfs/dbraw/zinc/93/68/69/1384936869.db2.gz MQNBQOGADXWWMG-BEFAXECRSA-N 1 0 327.428 3.418 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC(=O)c1ccc(F)cc1F ZINC001173214680 1384937315 /nfs/dbraw/zinc/93/73/15/1384937315.db2.gz DRDJVEOAKVGBGT-LLVKDONJSA-N 1 0 334.322 3.277 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)n1nc(-c2ccncc2)cc1C[NH3+] ZINC001173217923 1384937763 /nfs/dbraw/zinc/93/77/63/1384937763.db2.gz HKEKUPYNPRDNBB-ZDUSSCGKSA-N 1 0 337.383 3.116 20 5 EGBDRO COc1cccc2c1C[C@H]([NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1)CO2 ZINC001173220118 1384938520 /nfs/dbraw/zinc/93/85/20/1384938520.db2.gz UDYXBRGWAZNMRN-ZFWWWQNUSA-N 1 0 342.395 3.128 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1(c2ccc(F)cc2)COC1 ZINC001173222106 1384938557 /nfs/dbraw/zinc/93/85/57/1384938557.db2.gz UIBOGJHHVADNKQ-CYBMUJFWSA-N 1 0 330.359 3.180 20 5 EGBDRO CCOC(=O)C1(C)CC[NH+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173227045 1384940364 /nfs/dbraw/zinc/94/03/64/1384940364.db2.gz MNJQNZLFZHHRSO-AWEZNQCLSA-N 1 0 334.416 3.191 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC1 ZINC001173228433 1384940540 /nfs/dbraw/zinc/94/05/40/1384940540.db2.gz WTCONGSOWIAWEE-CRAIPNDOSA-N 1 0 345.443 3.003 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC[C@H]1C(=O)N1CCCC1 ZINC001173228436 1384940586 /nfs/dbraw/zinc/94/05/86/1384940586.db2.gz WTCONGSOWIAWEE-YJBOKZPZSA-N 1 0 345.443 3.003 20 5 EGBDRO CC(=O)N(C(C)C)C1CC[NH+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173232652 1384941692 /nfs/dbraw/zinc/94/16/92/1384941692.db2.gz SBTPLNCUXLKLBA-OAHLLOKOSA-N 1 0 347.459 3.247 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1cccc2c1OCO2 ZINC001173238384 1384942517 /nfs/dbraw/zinc/94/25/17/1384942517.db2.gz QXVDSVMFQZAAFO-CYBMUJFWSA-N 1 0 328.368 3.387 20 5 EGBDRO C[NH+](C)Cc1ccccc1-n1c2ccccc2nc2cc(N)c(=O)cc1-2 ZINC001173931224 1385032889 /nfs/dbraw/zinc/03/28/89/1385032889.db2.gz XPGLXTNKQJRYHJ-UHFFFAOYSA-N 1 0 344.418 3.134 20 5 EGBDRO O=C(NCCCCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CC=CC1 ZINC001178088356 1386126311 /nfs/dbraw/zinc/12/63/11/1386126311.db2.gz ASKBWPMOGMKQLU-UHFFFAOYSA-N 1 0 345.443 3.327 20 5 EGBDRO O=C(/C=C/C1CC1)NCCCCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001178109971 1386130690 /nfs/dbraw/zinc/13/06/90/1386130690.db2.gz MXCLPKARZMNQQA-FMIVXFBMSA-N 1 0 345.443 3.327 20 5 EGBDRO C[NH+](C)CCOc1ccc(CN2Cc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001319717855 1386267518 /nfs/dbraw/zinc/26/75/18/1386267518.db2.gz MCCCRGIEOPKILZ-UHFFFAOYSA-N 1 0 341.411 3.051 20 5 EGBDRO CC(C)(C)C(=O)NCCCCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001180127439 1386705889 /nfs/dbraw/zinc/70/58/89/1386705889.db2.gz ZCLCSNYQUNZBDU-UHFFFAOYSA-N 1 0 335.448 3.407 20 5 EGBDRO [NH2+]=c1ccc2nc3c(cc(NC(=O)C4COC4)c4ccccc43)oc-2c1 ZINC001181007565 1386915295 /nfs/dbraw/zinc/91/52/95/1386915295.db2.gz BANTXVFVVNHOEN-UHFFFAOYSA-N 1 0 345.358 3.150 20 5 EGBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NCCCCC[NH+]1CCCCC1 ZINC001321724624 1386968082 /nfs/dbraw/zinc/96/80/82/1386968082.db2.gz DKSWXSFFNNJSSK-UHFFFAOYSA-N 1 0 348.447 3.023 20 5 EGBDRO CC(C)[C@@]1(CO)CC[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001331074279 1389621390 /nfs/dbraw/zinc/62/13/90/1389621390.db2.gz BDPVEPBFYMJLAB-HNNXBMFYSA-N 1 0 346.349 3.454 20 5 EGBDRO CS[C@H]1CC[C@H]([N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001331329253 1389703565 /nfs/dbraw/zinc/70/35/65/1389703565.db2.gz AGJOGGUGOPNRSE-GJZGRUSLSA-N 1 0 337.445 3.139 20 5 EGBDRO COc1cc([N+](=O)[O-])cnc1N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001339660428 1390100679 /nfs/dbraw/zinc/10/06/79/1390100679.db2.gz MVNMOQDVQMIMID-OLZOCXBDSA-N 1 0 334.420 3.063 20 5 EGBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)NCCC[NH+]1CCCC1 ZINC001332422034 1390112155 /nfs/dbraw/zinc/11/21/55/1390112155.db2.gz SBDPVJQOMZZJDM-UHFFFAOYSA-N 1 0 340.811 3.164 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1C ZINC001332739240 1390176279 /nfs/dbraw/zinc/17/62/79/1390176279.db2.gz QRYOXMSUPBUSTF-ZIAGYGMSSA-N 1 0 347.459 3.309 20 5 EGBDRO C[C@H]1OCC[C@]1(C)[NH2+]Cc1cc([N+](=O)[O-])ccc1Br ZINC001332990310 1390231577 /nfs/dbraw/zinc/23/15/77/1390231577.db2.gz KBTDWPWRTLQQCP-RNCFNFMXSA-N 1 0 329.194 3.014 20 5 EGBDRO CCS[C@H]1CCC[C@H]([NH2+]Cc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC001333699140 1390377389 /nfs/dbraw/zinc/37/73/89/1390377389.db2.gz RRCGZOWUUGRXDO-STQMWFEESA-N 1 0 340.445 3.463 20 5 EGBDRO CC(C)(C)[C@@H]1CCC[C@H]1NC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC001340889500 1390397439 /nfs/dbraw/zinc/39/74/39/1390397439.db2.gz SVXSIGXTKVJUAN-IIDMSEBBSA-N 1 0 333.432 3.100 20 5 EGBDRO C[N@H+]1CC=C(CNC(=O)Nc2ccc([N+](=O)[O-])c3ccccc23)CC1 ZINC001345939772 1390895540 /nfs/dbraw/zinc/89/55/40/1390895540.db2.gz UJGJOGRCVZAARI-UHFFFAOYSA-N 1 0 340.383 3.131 20 5 EGBDRO Cc1cc(NC(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)cc([N+](=O)[O-])c1 ZINC001350262379 1391438560 /nfs/dbraw/zinc/43/85/60/1391438560.db2.gz NAMDQDIHQSDCBS-HNNXBMFYSA-N 1 0 346.431 3.099 20 5 EGBDRO C[C@@H](CNc1ncnc2c(Cl)cc([N+](=O)[O-])cc12)C[NH+]1CCCC1 ZINC001350434317 1391463837 /nfs/dbraw/zinc/46/38/37/1391463837.db2.gz VNAVJFLQPYKEFG-NSHDSACASA-N 1 0 349.822 3.335 20 5 EGBDRO C/C=C(/C)C(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001754950521 1440714881 /nfs/dbraw/zinc/71/48/81/1440714881.db2.gz OITYZRBCQALLLF-BASRZMJWSA-N 1 0 345.443 3.326 20 5 EGBDRO CC(=O)N(CCC[NH2+]Cc1csc([N+](=O)[O-])c1)Cc1ccccc1 ZINC001755536783 1440869941 /nfs/dbraw/zinc/86/99/41/1440869941.db2.gz HWOIOMUCTUSWNS-UHFFFAOYSA-N 1 0 347.440 3.185 20 5 EGBDRO CC(C)C(=O)NC1(C2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)CC1 ZINC001755868117 1440938151 /nfs/dbraw/zinc/93/81/51/1440938151.db2.gz ZHUKCONDMXTZCV-UHFFFAOYSA-N 1 0 345.443 3.112 20 5 EGBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1nc2ccccc2c(Cl)c1[N+](=O)[O-] ZINC001164634219 719189257 /nfs/dbraw/zinc/18/92/57/719189257.db2.gz ITHQWEDBAKKMNC-WDEREUQCSA-N 1 0 334.807 3.325 20 5 EGBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1ccc2c(ccc(Cl)c2[N+](=O)[O-])n1 ZINC001164643235 719212671 /nfs/dbraw/zinc/21/26/71/719212671.db2.gz YKEIXHRAAOZGFZ-WDEREUQCSA-N 1 0 334.807 3.325 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001165047057 721965386 /nfs/dbraw/zinc/96/53/86/721965386.db2.gz RFNHILVQUFVIHG-AWEZNQCLSA-N 1 0 338.839 3.488 20 5 EGBDRO COCC1(C[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CCOCC1 ZINC000368144706 168316588 /nfs/dbraw/zinc/31/65/88/168316588.db2.gz WQZSCXNHXOUZOV-UHFFFAOYSA-N 1 0 336.432 3.251 20 5 EGBDRO COc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2C2CCCC2)c([N+](=O)[O-])c1 ZINC000055928077 214348970 /nfs/dbraw/zinc/34/89/70/214348970.db2.gz QCCYGUDKOBGMHJ-INIZCTEOSA-N 1 0 347.415 3.197 20 5 EGBDRO CC[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccccc1OC(F)F ZINC000179713146 529609394 /nfs/dbraw/zinc/60/93/94/529609394.db2.gz PJARSWQCFKUGLV-LBPRGKRZSA-N 1 0 340.330 3.134 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)NCc2ccccc2)cc1[N+](=O)[O-] ZINC000178679292 232370507 /nfs/dbraw/zinc/37/05/07/232370507.db2.gz NRPHBOVXNLUMHC-HUUCEWRRSA-N 1 0 341.411 3.259 20 5 EGBDRO Cc1c(NC(=O)CC[NH2+][C@@H](C)c2cccc(O)c2)cccc1[N+](=O)[O-] ZINC000181558245 234231139 /nfs/dbraw/zinc/23/11/39/234231139.db2.gz VJRFNBPTTOKTJD-ZDUSSCGKSA-N 1 0 343.383 3.288 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)N2C[C@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000181806739 234330131 /nfs/dbraw/zinc/33/01/31/234330131.db2.gz BYHVBNKWNZXEDL-VNHYZAJKSA-N 1 0 333.432 3.058 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)N[C@H](C)c2cccs2)cc1[N+](=O)[O-] ZINC000181816426 234335089 /nfs/dbraw/zinc/33/50/89/234335089.db2.gz UFGDAWQHVFJFKM-QWHCGFSZSA-N 1 0 347.440 3.493 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000127649256 222867767 /nfs/dbraw/zinc/86/77/67/222867767.db2.gz KQKIOPVPDXEYBD-UHFFFAOYSA-N 1 0 334.420 3.206 20 5 EGBDRO C[C@H](C[S@@](C)=O)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000184264935 235349968 /nfs/dbraw/zinc/34/99/68/235349968.db2.gz QKJICUGHJCJWPJ-RKFFSXRUSA-N 1 0 338.454 3.180 20 5 EGBDRO CCCN(CC[NH+]1CCCC1)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000352888481 283243102 /nfs/dbraw/zinc/24/31/02/283243102.db2.gz UYXQQRFNJFGDKI-UHFFFAOYSA-N 1 0 339.411 3.050 20 5 EGBDRO Cc1c([C@H](C)[NH2+]CCC(=O)N2CCCCCC2)cccc1[N+](=O)[O-] ZINC000129082470 223019181 /nfs/dbraw/zinc/01/91/81/223019181.db2.gz VHMHNTNUHUDNHM-HNNXBMFYSA-N 1 0 333.432 3.347 20 5 EGBDRO C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000187205930 236146340 /nfs/dbraw/zinc/14/63/40/236146340.db2.gz VJKPXKMAIDSWMJ-GUYCJALGSA-N 1 0 327.384 3.016 20 5 EGBDRO O=[N+]([O-])c1c2cccnc2ccc1N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000131691711 223258601 /nfs/dbraw/zinc/25/86/01/223258601.db2.gz IMJWLPDHPGDTAS-AWEZNQCLSA-N 1 0 326.400 3.065 20 5 EGBDRO CCSCC[C@@H](C)[N@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000072900786 216326034 /nfs/dbraw/zinc/32/60/34/216326034.db2.gz OYQFBBAKBSLRIA-CYBMUJFWSA-N 1 0 339.461 3.021 20 5 EGBDRO C[C@@H](c1ccc(F)c(F)c1)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369694047 242013974 /nfs/dbraw/zinc/01/39/74/242013974.db2.gz PJCQLLAOSJQZEB-NSHDSACASA-N 1 0 336.342 3.468 20 5 EGBDRO CC(C)C(=O)NCC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000236788824 242357708 /nfs/dbraw/zinc/35/77/08/242357708.db2.gz TXXFCQFYMOPUME-UHFFFAOYSA-N 1 0 347.440 3.185 20 5 EGBDRO Cc1cccc(C(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000110348622 220031315 /nfs/dbraw/zinc/03/13/15/220031315.db2.gz VKCWMPONQCOKCX-OAHLLOKOSA-N 1 0 341.411 3.154 20 5 EGBDRO O=C(CCC[NH2+]Cc1ccccc1[N+](=O)[O-])N1CCc2ccccc21 ZINC000111409598 220152845 /nfs/dbraw/zinc/15/28/45/220152845.db2.gz ZNCJNKDGGVIXNR-UHFFFAOYSA-N 1 0 339.395 3.054 20 5 EGBDRO CN(CC1CC[NH+](C)CC1)C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000264101750 246065877 /nfs/dbraw/zinc/06/58/77/246065877.db2.gz UJCZNUOSGVQTMJ-UHFFFAOYSA-N 1 0 347.459 3.306 20 5 EGBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000264889123 247012367 /nfs/dbraw/zinc/01/23/67/247012367.db2.gz DXKHEIRTCHUVTB-ZDUSSCGKSA-N 1 0 339.823 3.243 20 5 EGBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000266437530 248300547 /nfs/dbraw/zinc/30/05/47/248300547.db2.gz UKICLBVUJUHRIE-CQSZACIVSA-N 1 0 347.459 3.306 20 5 EGBDRO COc1ccc(OCC[N@@H+]2CCC[C@@H]2c2ccc[nH]2)c([N+](=O)[O-])c1 ZINC000266625933 248388803 /nfs/dbraw/zinc/38/88/03/248388803.db2.gz HEXCGFGBDHAVAH-OAHLLOKOSA-N 1 0 331.372 3.147 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)c1 ZINC000408232154 169166358 /nfs/dbraw/zinc/16/63/58/169166358.db2.gz RQPXBGXGKGPFFK-OWCLPIDISA-N 1 0 345.443 3.381 20 5 EGBDRO Cn1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093442929 218226092 /nfs/dbraw/zinc/22/60/92/218226092.db2.gz JABIRRHJINLDFP-GASCZTMLSA-N 1 0 326.400 3.227 20 5 EGBDRO O=C1CCCCN1C1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000093741498 218245610 /nfs/dbraw/zinc/24/56/10/218245610.db2.gz DFQFUCRZHIQVCC-FNORWQNLSA-N 1 0 343.427 3.085 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCC(Nc3ccccc3)CC2)c1 ZINC000095432624 218374961 /nfs/dbraw/zinc/37/49/61/218374961.db2.gz PEEIFOQQNFUGIP-LJQANCHMSA-N 1 0 341.411 3.205 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)COc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000268852285 252300764 /nfs/dbraw/zinc/30/07/64/252300764.db2.gz PZCQTJKJUHKEGM-XJKSGUPXSA-N 1 0 348.374 3.133 20 5 EGBDRO C[C@H]([NH2+][C@@H]1CCN(c2ccccc2F)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000112366809 220313909 /nfs/dbraw/zinc/31/39/09/220313909.db2.gz WMZDFLMEWFYGNI-BLLLJJGKSA-N 1 0 343.358 3.190 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCCC[C@@H]3CCO)o2)c1 ZINC000112598931 220352885 /nfs/dbraw/zinc/35/28/85/220352885.db2.gz IFOOGZLOGGMOEU-OAHLLOKOSA-N 1 0 345.399 3.029 20 5 EGBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCc3ccccc3[C@H]2c2ccccc2)c1 ZINC000339606778 285189357 /nfs/dbraw/zinc/18/93/57/285189357.db2.gz GXQRTQDDLYMPQE-HXUWFJFHSA-N 1 0 348.406 3.439 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H]1CC[C@H](C)C[C@H]1C ZINC000119550194 221345691 /nfs/dbraw/zinc/34/56/91/221345691.db2.gz PDZZJENHLZIDKG-SFDCQRBFSA-N 1 0 349.431 3.345 20 5 EGBDRO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)[C@H](c1ccccc1)[NH+](C)C ZINC000187194447 533293228 /nfs/dbraw/zinc/29/32/28/533293228.db2.gz HDZGYWQQUALHFZ-SJKOYZFVSA-N 1 0 345.374 3.155 20 5 EGBDRO CSCC[C@@H](C)[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000181762271 533590817 /nfs/dbraw/zinc/59/08/17/533590817.db2.gz XUHHISSCFAOJHU-LLVKDONJSA-N 1 0 343.424 3.136 20 5 EGBDRO Cc1ccc(C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000181475990 533591713 /nfs/dbraw/zinc/59/17/13/533591713.db2.gz ITMNBNMLDJTJIH-GDBMZVCRSA-N 1 0 345.443 3.286 20 5 EGBDRO COc1ccc([C@H](C)[NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000341212695 141139316 /nfs/dbraw/zinc/13/93/16/141139316.db2.gz QICWKQPPTPKDSV-ZDUSSCGKSA-N 1 0 343.383 3.283 20 5 EGBDRO CC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000348159578 141241335 /nfs/dbraw/zinc/24/13/35/141241335.db2.gz KEEUNCDBERKFNH-BZPMIXESSA-N 1 0 335.404 3.099 20 5 EGBDRO CC(C)c1ccc(C[N@@H+]2CC[C@H](N3CCOCC3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000356258699 141330694 /nfs/dbraw/zinc/33/06/94/141330694.db2.gz LVROGPHDFKTHMB-YJBOKZPZSA-N 1 0 347.459 3.013 20 5 EGBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@@H]3C[C@H]3c3ccccc3)CC2)n1 ZINC000361382835 141415549 /nfs/dbraw/zinc/41/55/49/141415549.db2.gz XRNCSUTYMVFYHV-RDJZCZTQSA-N 1 0 326.400 3.232 20 5 EGBDRO C[C@H]([NH2+]CCNC(=O)c1ccccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000173412583 144040911 /nfs/dbraw/zinc/04/09/11/144040911.db2.gz KIFYPQVDHAXVFP-LBPRGKRZSA-N 1 0 347.802 3.329 20 5 EGBDRO C[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)[C@@H]1COc2ccccc21 ZINC000185615214 144116009 /nfs/dbraw/zinc/11/60/09/144116009.db2.gz GRRKGQONILQFHL-DYVFJYSZSA-N 1 0 328.368 3.128 20 5 EGBDRO CCn1nc(C)c([N+](=O)[O-])c1N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000192682026 144177748 /nfs/dbraw/zinc/17/77/48/144177748.db2.gz XHKMJADFONNDOE-CJNGLKHVSA-N 1 0 343.431 3.195 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC1(C(=O)N(C)C)CCCC1 ZINC000344889556 144237550 /nfs/dbraw/zinc/23/75/50/144237550.db2.gz WNHBPIQMCDHMMI-RVDMUPIBSA-N 1 0 345.443 3.236 20 5 EGBDRO CCN(CCC[NH+]1CCCC1)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000351754343 144302180 /nfs/dbraw/zinc/30/21/80/144302180.db2.gz GKPURTJELHLIAG-UHFFFAOYSA-N 1 0 339.823 3.196 20 5 EGBDRO O=[N+]([O-])c1cccc(OCC[N@H+]2Cc3ccc(O)cc3C3(CC3)C2)c1 ZINC000361570809 144330355 /nfs/dbraw/zinc/33/03/55/144330355.db2.gz YKUJOBFLFYACCF-UHFFFAOYSA-N 1 0 340.379 3.227 20 5 EGBDRO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CC[C@](CO)(c2ccccc2)C1 ZINC000361579925 144331840 /nfs/dbraw/zinc/33/18/40/144331840.db2.gz YCTUWSBDDCHSMC-SFHVURJKSA-N 1 0 346.814 3.384 20 5 EGBDRO C[C@@H]1CN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H](C)S1=O ZINC000361654673 144344230 /nfs/dbraw/zinc/34/42/30/144344230.db2.gz LWMXTBWEPNBNJR-CHWSQXEVSA-N 1 0 348.424 3.196 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[NH+](C2CCCCC2)CC1 ZINC000361677617 144349075 /nfs/dbraw/zinc/34/90/75/144349075.db2.gz IENZGSFZKRKRBJ-UHFFFAOYSA-N 1 0 333.432 3.054 20 5 EGBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H](CC(F)(F)F)c2ccccc2)c1 ZINC000341574469 155361681 /nfs/dbraw/zinc/36/16/81/155361681.db2.gz PBSJMGKQQWPTRP-ZDUSSCGKSA-N 1 0 328.294 3.075 20 5 EGBDRO Cc1ccc(C[NH2+]C[C@@]2(O)CCC[C@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000189634709 153086916 /nfs/dbraw/zinc/08/69/16/153086916.db2.gz AYMHPIJORPQURC-DZGCQCFKSA-N 1 0 346.349 3.476 20 5 EGBDRO Cc1nc(NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000192956576 153270891 /nfs/dbraw/zinc/27/08/91/153270891.db2.gz HEYWFIUPHZBQNG-INIZCTEOSA-N 1 0 326.400 3.232 20 5 EGBDRO C[C@@H]([NH2+][C@H](C)c1cccnc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000194720700 153352945 /nfs/dbraw/zinc/35/29/45/153352945.db2.gz WCADRRUIFVQYAO-GHMZBOCLSA-N 1 0 348.790 3.321 20 5 EGBDRO O=C(NCC[NH2+]C1CCCCCC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000237727821 153525970 /nfs/dbraw/zinc/52/59/70/153525970.db2.gz YPOTYZSTPMMRIN-UHFFFAOYSA-N 1 0 339.823 3.290 20 5 EGBDRO CC(C)(CO)[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000304245148 154069491 /nfs/dbraw/zinc/06/94/91/154069491.db2.gz UXGRWAJQXURMCX-UHFFFAOYSA-N 1 0 334.347 3.387 20 5 EGBDRO C[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C[C@H]1CCCC[C@@H]1O ZINC000305786792 154119937 /nfs/dbraw/zinc/11/99/37/154119937.db2.gz BEWJPAOVYHBXGG-PBHICJAKSA-N 1 0 345.399 3.233 20 5 EGBDRO CCc1nn(C)c(NC[C@H](c2ccccc2)[NH+](CC)CC)c1[N+](=O)[O-] ZINC000327280364 154187067 /nfs/dbraw/zinc/18/70/67/154187067.db2.gz VKQCKUUDRNWBRF-MRXNPFEDSA-N 1 0 345.447 3.386 20 5 EGBDRO C[NH+](C)CCN(Cc1cccc([N+](=O)[O-])c1)Cc1ccccc1F ZINC000348892901 156279448 /nfs/dbraw/zinc/27/94/48/156279448.db2.gz JWTYXKHDDZKLQP-UHFFFAOYSA-N 1 0 331.391 3.298 20 5 EGBDRO [NH3+]CCN(Cc1cc2c(cccc2F)[nH]1)c1ccccc1[N+](=O)[O-] ZINC000348902437 156282232 /nfs/dbraw/zinc/28/22/32/156282232.db2.gz CQNVVZQZKGGASR-UHFFFAOYSA-N 1 0 328.347 3.181 20 5 EGBDRO CN(CC[NH+]1CCCC1)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000349060006 156337092 /nfs/dbraw/zinc/33/70/92/156337092.db2.gz DIFPRRAQPLZQGR-UHFFFAOYSA-N 1 0 329.400 3.382 20 5 EGBDRO COc1cc(CN(C)CC[NH+](C(C)C)C(C)C)c([N+](=O)[O-])cc1F ZINC000362191486 157067306 /nfs/dbraw/zinc/06/73/06/157067306.db2.gz QQVCTRFKGGWQGE-UHFFFAOYSA-N 1 0 341.427 3.293 20 5 EGBDRO CCC[C@H]([NH2+][C@@H](C)[C@@H](C)N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000134148509 162482953 /nfs/dbraw/zinc/48/29/53/162482953.db2.gz DFLPXEDNJCILFP-DAYGRLMNSA-N 1 0 335.448 3.135 20 5 EGBDRO CC(C)C[C@@H](C)C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000337194683 163159510 /nfs/dbraw/zinc/15/95/10/163159510.db2.gz WKMYTQJIECDLHG-OAHLLOKOSA-N 1 0 333.432 3.035 20 5 EGBDRO CCCN(CC[NH+]1CCCC1)C(=O)c1ccc(CC)c([N+](=O)[O-])c1 ZINC000342162958 163803043 /nfs/dbraw/zinc/80/30/43/163803043.db2.gz NEMUHDKPRNXTPW-UHFFFAOYSA-N 1 0 333.432 3.105 20 5 EGBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCC[C@H](C2CC2)C1 ZINC000343992652 164078239 /nfs/dbraw/zinc/07/82/39/164078239.db2.gz NHQLFLMDYKDTNG-AWEZNQCLSA-N 1 0 345.399 3.015 20 5 EGBDRO C[C@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[N@@H+]1CCCC[C@@H]1C ZINC000345993689 164312221 /nfs/dbraw/zinc/31/22/21/164312221.db2.gz PDHZCXOGGQTZEG-NWDGAFQWSA-N 1 0 339.823 3.241 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3C[C@@H]4CC[C@@H](O)[C@@H]4C3)o2)c1 ZINC000346326401 164368567 /nfs/dbraw/zinc/36/85/67/164368567.db2.gz HTOCXJUSVQAZMU-IAOVAPTHSA-N 1 0 328.368 3.058 20 5 EGBDRO CC(C)(C)[C@@H]1NC(=O)CC[C@@H]1[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000353798126 165892112 /nfs/dbraw/zinc/89/21/12/165892112.db2.gz UGIUSUGTTKJSMG-XYJFISCASA-N 1 0 345.443 3.255 20 5 EGBDRO CCOCCO[C@@H]1CC[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000355199521 166130808 /nfs/dbraw/zinc/13/08/08/166130808.db2.gz QAHWJDLGYKXIMC-MRXNPFEDSA-N 1 0 336.432 3.346 20 5 EGBDRO CC(C)[NH+](CCN(C)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)C(C)C ZINC000357061138 166574659 /nfs/dbraw/zinc/57/46/59/166574659.db2.gz RVYVGMMQYFRVOD-UHFFFAOYSA-N 1 0 346.431 3.267 20 5 EGBDRO CCC1(CC)[C@H]([NH2+][C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1OC ZINC000359422988 167152281 /nfs/dbraw/zinc/15/22/81/167152281.db2.gz WRJLHJNHCIHHHD-MAZHCROVSA-N 1 0 349.431 3.105 20 5 EGBDRO Nc1c(F)c(NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000359828440 167243158 /nfs/dbraw/zinc/24/31/58/167243158.db2.gz FXPGQYPBMUTLNV-AWEZNQCLSA-N 1 0 344.390 3.250 20 5 EGBDRO CCOc1cc(CN2CCC[C@@H]([NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000365188810 168032899 /nfs/dbraw/zinc/03/28/99/168032899.db2.gz GOYHTKUDYCAZJM-MRXNPFEDSA-N 1 0 333.432 3.054 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CC([C@H]4CCOC4)C3)o2)cc1 ZINC000366251413 168098921 /nfs/dbraw/zinc/09/89/21/168098921.db2.gz VQWOOXKUISMTQP-AWEZNQCLSA-N 1 0 328.368 3.323 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccc(-n3cncn3)c2)cc1[N+](=O)[O-] ZINC000366299646 168104032 /nfs/dbraw/zinc/10/40/32/168104032.db2.gz PBMLXFCIBCHWQJ-CQSZACIVSA-N 1 0 337.383 3.335 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(C2CC2)CC1 ZINC000366452319 168122864 /nfs/dbraw/zinc/12/28/64/168122864.db2.gz YGLJTMSWLBSWST-UHFFFAOYSA-N 1 0 347.415 3.054 20 5 EGBDRO Cc1c(CC(=O)N(CC(C)C)C2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000122843749 222170811 /nfs/dbraw/zinc/17/08/11/222170811.db2.gz GQZFWQHNBRYZRJ-UHFFFAOYSA-N 1 0 347.459 3.025 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCN(CC(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000124244953 222397480 /nfs/dbraw/zinc/39/74/80/222397480.db2.gz VKSBJVRPDISSJV-STQMWFEESA-N 1 0 345.365 3.438 20 5 EGBDRO CC(C)(C)CC[NH+]1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000087161229 264681300 /nfs/dbraw/zinc/68/13/00/264681300.db2.gz IRMVJYCKUFBFAS-UHFFFAOYSA-N 1 0 347.459 3.108 20 5 EGBDRO CC[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000174835959 265074993 /nfs/dbraw/zinc/07/49/93/265074993.db2.gz GXLFGMGVPGPULG-QZTJIDSGSA-N 1 0 328.416 3.450 20 5 EGBDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000193757636 266059057 /nfs/dbraw/zinc/05/90/57/266059057.db2.gz FNELSDJVMUFHTQ-AWEZNQCLSA-N 1 0 334.420 3.371 20 5 EGBDRO CSC1(C[NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)CCC1 ZINC000193804481 266063190 /nfs/dbraw/zinc/06/31/90/266063190.db2.gz HEMHHLFYPMYACB-GFCCVEGCSA-N 1 0 337.445 3.187 20 5 EGBDRO C[C@@H](N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccn1 ZINC000194712144 266139800 /nfs/dbraw/zinc/13/98/00/266139800.db2.gz HMIKYCQYUQPCRJ-MNOVXSKESA-N 1 0 348.790 3.321 20 5 EGBDRO CC(C)(C)[C@H](CCO)[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000231074593 266206160 /nfs/dbraw/zinc/20/61/60/266206160.db2.gz JCPBDMFSZSZMOI-ZDUSSCGKSA-N 1 0 345.237 3.244 20 5 EGBDRO Cc1cc(N[C@@H](C)CC[NH+](C)C)c(Br)cc1[N+](=O)[O-] ZINC000235076409 266207498 /nfs/dbraw/zinc/20/74/98/266207498.db2.gz VXHUWMWEYCTVQM-JTQLQIEISA-N 1 0 330.226 3.418 20 5 EGBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000250210918 266263405 /nfs/dbraw/zinc/26/34/05/266263405.db2.gz OFEOUUCNOYUBFY-GOEBONIOSA-N 1 0 339.395 3.411 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+](Cc2cccc(F)c2)C2CC2)c1 ZINC000269692313 266343417 /nfs/dbraw/zinc/34/34/17/266343417.db2.gz VLUXGCBRFKDGED-SFHVURJKSA-N 1 0 330.359 3.432 20 5 EGBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@H]2c2cccs2)c1 ZINC000274067273 267174868 /nfs/dbraw/zinc/17/48/68/267174868.db2.gz PYLUDKBGKXIJMH-ZBFHGGJFSA-N 1 0 348.424 3.233 20 5 EGBDRO COc1cc(C[NH2+][C@H](C)[C@H]2COc3ccccc32)ccc1[N+](=O)[O-] ZINC000348771864 274094862 /nfs/dbraw/zinc/09/48/62/274094862.db2.gz HULCZJUMJNPVFB-IUODEOHRSA-N 1 0 328.368 3.258 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H](C)CCC[C@H]1C ZINC000357747887 274118675 /nfs/dbraw/zinc/11/86/75/274118675.db2.gz RCOSGUYSSMZHEJ-UONOGXRCSA-N 1 0 349.431 3.443 20 5 EGBDRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1c1ccc([N+](=O)[O-])cn1 ZINC000346677867 274364734 /nfs/dbraw/zinc/36/47/34/274364734.db2.gz WKZZQDQIJKNXQL-HUUCEWRRSA-N 1 0 326.400 3.089 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCc2c[nH]nc2C1 ZINC000366827120 275040108 /nfs/dbraw/zinc/04/01/08/275040108.db2.gz WDMYFHHTAPKKHM-IAOVAPTHSA-N 1 0 340.427 3.176 20 5 EGBDRO CC(=O)c1ccc(N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000007980928 275118599 /nfs/dbraw/zinc/11/85/99/275118599.db2.gz BCJJVZVFCOLQEF-QGZVFWFLSA-N 1 0 339.395 3.484 20 5 EGBDRO CC[NH+](CC)[C@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])CC(C)C ZINC000042546913 275126593 /nfs/dbraw/zinc/12/65/93/275126593.db2.gz GWPCAGSHGZAHAF-INIZCTEOSA-N 1 0 335.448 3.010 20 5 EGBDRO CC[C@H](C)[C@@H](C)[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C1CC1 ZINC000106439633 275168589 /nfs/dbraw/zinc/16/85/89/275168589.db2.gz XWDGGERPWHHFAX-QWHCGFSZSA-N 1 0 349.431 3.441 20 5 EGBDRO Cc1c(CC(=O)NCCC[N@@H+](C)C2CCCCC2)cccc1[N+](=O)[O-] ZINC000160831163 275196119 /nfs/dbraw/zinc/19/61/19/275196119.db2.gz COOUVPSPUSLGPM-UHFFFAOYSA-N 1 0 347.459 3.217 20 5 EGBDRO CC[C@H]([NH2+]CCCN1CCCO[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000278724647 275269088 /nfs/dbraw/zinc/26/90/88/275269088.db2.gz WCDMBXZNXWSENM-QAPCUYQASA-N 1 0 335.448 3.136 20 5 EGBDRO CCC[C@H]([NH2+]C[C@@H]1CCc2nccn2C1)c1cccc([N+](=O)[O-])c1 ZINC000278941327 275289706 /nfs/dbraw/zinc/28/97/06/275289706.db2.gz KDZMGACJKADKKL-YOEHRIQHSA-N 1 0 328.416 3.485 20 5 EGBDRO Cc1cc(NCC2([S@](C)=O)CCC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000280502858 275458177 /nfs/dbraw/zinc/45/81/77/275458177.db2.gz CHHNILGXQPXYGZ-QHCPKHFHSA-N 1 0 333.413 3.165 20 5 EGBDRO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@@H](C)c3cccc([N+](=O)[O-])c3C)[C@@H]2C1 ZINC000343925767 275474178 /nfs/dbraw/zinc/47/41/78/275474178.db2.gz IJOSVELCTWNGLR-PLYYQAHHSA-N 1 0 345.443 3.201 20 5 EGBDRO CCCN(CCC[NH+](C)C)C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000191414565 275997570 /nfs/dbraw/zinc/99/75/70/275997570.db2.gz BZGNLGHOUJZWFT-UHFFFAOYSA-N 1 0 336.436 3.407 20 5 EGBDRO CC(C)c1ccc(C[N@@H+]2CCC[C@@H]2CN2CCOCC2)cc1[N+](=O)[O-] ZINC000092218195 276052613 /nfs/dbraw/zinc/05/26/13/276052613.db2.gz IODFDOKNKGEQHE-QGZVFWFLSA-N 1 0 347.459 3.015 20 5 EGBDRO CC(C)c1ccc(C[N@@H+]2CCS[C@H]3COCC[C@@H]32)cc1[N+](=O)[O-] ZINC000091856147 276052924 /nfs/dbraw/zinc/05/29/24/276052924.db2.gz PKQOIAZSVQADOP-RDJZCZTQSA-N 1 0 336.457 3.425 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1COc2ccccc21 ZINC000288525953 276223833 /nfs/dbraw/zinc/22/38/33/276223833.db2.gz JUSAHOFIYCOWGS-CQSZACIVSA-N 1 0 328.368 3.259 20 5 EGBDRO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@@](CO)(Cc3ccc(F)cc3)C2)c1 ZINC000288696546 276243171 /nfs/dbraw/zinc/24/31/71/276243171.db2.gz DMUPTUHROMEANL-LJQANCHMSA-N 1 0 344.386 3.161 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCc2occc2C1 ZINC000288963210 276272419 /nfs/dbraw/zinc/27/24/19/276272419.db2.gz YHBCCGVEQNJFAO-UHFFFAOYSA-N 1 0 343.383 3.273 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000289624711 276368301 /nfs/dbraw/zinc/36/83/01/276368301.db2.gz BQDBYPARXDWSQR-AWEZNQCLSA-N 1 0 334.420 3.105 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]([NH+](CC)CC)C1 ZINC000289812454 276399140 /nfs/dbraw/zinc/39/91/40/276399140.db2.gz NZWOTFQCOSBLNV-HNNXBMFYSA-N 1 0 334.420 3.105 20 5 EGBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]CCOCC(F)F ZINC000291572453 276661355 /nfs/dbraw/zinc/66/13/55/276661355.db2.gz OAIQYTCMFAFHLY-UHFFFAOYSA-N 1 0 329.130 3.273 20 5 EGBDRO CC(C)[NH+]1CCC(NC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000291673104 276675133 /nfs/dbraw/zinc/67/51/33/276675133.db2.gz MKZKLQRMXBSQIW-UHFFFAOYSA-N 1 0 348.447 3.002 20 5 EGBDRO CC(C)c1ccc(C[NH2+][C@@H]2CCO[C@]3(CCOC3)C2)cc1[N+](=O)[O-] ZINC000374288680 278037582 /nfs/dbraw/zinc/03/75/82/278037582.db2.gz QUJPZNYPCIQNMW-CRAIPNDOSA-N 1 0 334.416 3.146 20 5 EGBDRO C[C@@H]1[C@@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CCC[N@@H+]1C ZINC000343425501 279092384 /nfs/dbraw/zinc/09/23/84/279092384.db2.gz DIXASZFRUZUPIZ-MFKMUULPSA-N 1 0 333.413 3.022 20 5 EGBDRO Cc1cc(C(=O)N2C[C@H]([NH+](C)C)Cc3ccccc32)ccc1[N+](=O)[O-] ZINC000067203638 280343344 /nfs/dbraw/zinc/34/33/44/280343344.db2.gz AUJXRGFYWWFEGY-MRXNPFEDSA-N 1 0 339.395 3.036 20 5 EGBDRO Cc1cc(N2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000413539074 309036402 /nfs/dbraw/zinc/03/64/02/309036402.db2.gz YNHWIMZLKKJCFG-HNNXBMFYSA-N 1 0 326.400 3.009 20 5 EGBDRO C[C@@H](C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)[NH+]1[C@H](C)CC[C@H]1C ZINC000413594267 309038788 /nfs/dbraw/zinc/03/87/88/309038788.db2.gz XJSHBZAGLNNTHK-MCIONIFRSA-N 1 0 333.432 3.207 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]Cc1cccc2c1OCO2)C1CC1 ZINC000130844384 307635121 /nfs/dbraw/zinc/63/51/21/307635121.db2.gz SXTOKGJOXFRELE-INIZCTEOSA-N 1 0 340.379 3.434 20 5 EGBDRO CO[C@@H]([C@@H](C)[NH2+][C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CC1 ZINC000414194444 309066052 /nfs/dbraw/zinc/06/60/52/309066052.db2.gz VLRMMCRMXLFDEH-ZETOZRRWSA-N 1 0 346.387 3.109 20 5 EGBDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])c1ccn(C)n1 ZINC000414197406 309066331 /nfs/dbraw/zinc/06/63/31/309066331.db2.gz WKJSFLMLFFRQAI-JJRVBVJISA-N 1 0 328.416 3.390 20 5 EGBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)c1nccs1 ZINC000414213477 309067019 /nfs/dbraw/zinc/06/70/19/309067019.db2.gz TWRDPMBMRTVIHZ-QWRGUYRKSA-N 1 0 334.401 3.119 20 5 EGBDRO CC(C)(C)OC1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000162597711 307914756 /nfs/dbraw/zinc/91/47/56/307914756.db2.gz PBOKCSOEFKDAJJ-UHFFFAOYSA-N 1 0 349.431 3.203 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCCNc1ccccn1)C1CC1 ZINC000163788777 307924540 /nfs/dbraw/zinc/92/45/40/307924540.db2.gz IGUOCUOBKXMOLF-KRWDZBQOSA-N 1 0 340.427 3.403 20 5 EGBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000248388245 308001575 /nfs/dbraw/zinc/00/15/75/308001575.db2.gz DHUCDIKRIJDNGC-SOLBZPMBSA-N 1 0 347.459 3.153 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1C[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC000248412728 308002490 /nfs/dbraw/zinc/00/24/90/308002490.db2.gz FOTHYRCQJUFQOQ-QRTARXTBSA-N 1 0 331.416 3.352 20 5 EGBDRO C[C@@H]([NH2+]Cc1cccc(N2CCOCC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000293766888 308160044 /nfs/dbraw/zinc/16/00/44/308160044.db2.gz RUEDFCBGOWRMFC-OAHLLOKOSA-N 1 0 341.411 3.282 20 5 EGBDRO CCC[C@H](C)C(=O)NCC[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000293802074 308163051 /nfs/dbraw/zinc/16/30/51/308163051.db2.gz VDEZOEXLOLLWTN-LSDHHAIUSA-N 1 0 335.448 3.058 20 5 EGBDRO CC(C)Oc1ccc(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cn1 ZINC000293828961 308165877 /nfs/dbraw/zinc/16/58/77/308165877.db2.gz SHSQNPWAESDJHG-GFCCVEGCSA-N 1 0 330.388 3.210 20 5 EGBDRO Cc1nnsc1C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000293896270 308172018 /nfs/dbraw/zinc/17/20/18/308172018.db2.gz ZIVYGJAPESUMQA-JSGCOSHPSA-N 1 0 332.429 3.256 20 5 EGBDRO Cc1nc(N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000294892154 308268446 /nfs/dbraw/zinc/26/84/46/308268446.db2.gz GILIDWJKFDWDED-XJKSGUPXSA-N 1 0 341.415 3.016 20 5 EGBDRO C[C@H]1CN(c2ccc([N+](=O)[O-])c3cccnc32)CC[N@@H+](C2CC2)C1 ZINC000295043539 308284981 /nfs/dbraw/zinc/28/49/81/308284981.db2.gz XHVCVQPLFVNYKL-CYBMUJFWSA-N 1 0 326.400 3.064 20 5 EGBDRO Cc1c(C[N@@H+]2CCC[C@@H](CC(C)(C)C(N)=O)C2)cccc1[N+](=O)[O-] ZINC000295484267 308331344 /nfs/dbraw/zinc/33/13/44/308331344.db2.gz GRIWRGZJZUMSMK-AWEZNQCLSA-N 1 0 333.432 3.017 20 5 EGBDRO CCOc1cc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)ccc1[N+](=O)[O-] ZINC000295844693 308365989 /nfs/dbraw/zinc/36/59/89/308365989.db2.gz DHVXUWBOIGDVRA-KBRIMQKVSA-N 1 0 332.400 3.041 20 5 EGBDRO CCOc1cc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)ccc1[N+](=O)[O-] ZINC000295844696 308366376 /nfs/dbraw/zinc/36/63/76/308366376.db2.gz DHVXUWBOIGDVRA-XKQJLSEDSA-N 1 0 332.400 3.041 20 5 EGBDRO CN(c1ccccc1)c1ccc(CN[C@H](C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000414809124 309102887 /nfs/dbraw/zinc/10/28/87/309102887.db2.gz TYTKJXZDOZZEDQ-QGZVFWFLSA-N 1 0 340.427 3.190 20 5 EGBDRO CCC([NH3+])(CC)CNCc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000414815844 309103356 /nfs/dbraw/zinc/10/33/56/309103356.db2.gz YKUFOJFUWYZMGG-UHFFFAOYSA-N 1 0 347.415 3.471 20 5 EGBDRO C[NH+](C)[C@@H](CNc1c2c(ccc1[N+](=O)[O-])NCC2)c1cccc(F)c1 ZINC000302476256 308737830 /nfs/dbraw/zinc/73/78/30/308737830.db2.gz VKOZONAYKPYUJH-KRWDZBQOSA-N 1 0 344.390 3.417 20 5 EGBDRO Cc1noc(C)c1[C@H](C)C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000331422033 308806506 /nfs/dbraw/zinc/80/65/06/308806506.db2.gz IGJPTGLIQXRPLB-BYCMXARLSA-N 1 0 347.419 3.273 20 5 EGBDRO Cc1ccc(NC(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000331428676 308806613 /nfs/dbraw/zinc/80/66/13/308806613.db2.gz RBFJIHOKPJZPKR-GDBMZVCRSA-N 1 0 346.431 3.289 20 5 EGBDRO C[C@H](CNc1ncc([N+](=O)[O-])cc1C(F)(F)F)C[NH+]1CCCC1 ZINC000413068704 309014526 /nfs/dbraw/zinc/01/45/26/309014526.db2.gz JPEPDXURXSJDHH-SNVBAGLBSA-N 1 0 332.326 3.152 20 5 EGBDRO CCC[N@@H+]1CC[C@H](CNc2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000413072732 309014781 /nfs/dbraw/zinc/01/47/81/309014781.db2.gz NLUGYSUGCCWOKF-SNVBAGLBSA-N 1 0 332.326 3.152 20 5 EGBDRO CCC[N@H+](C)C[C@H]1CCN(c2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413173668 309019615 /nfs/dbraw/zinc/01/96/15/309019615.db2.gz RDYUWTJOEWSQJE-CQSZACIVSA-N 1 0 328.416 3.311 20 5 EGBDRO C[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2F)C[N@@H+]1Cc1ccccc1 ZINC000413187010 309020327 /nfs/dbraw/zinc/02/03/27/309020327.db2.gz QPGWATUOHUEUHL-GXTWGEPZSA-N 1 0 330.363 3.204 20 5 EGBDRO C[N@@H+]1CCC[C@@H]2CN(c3ccc([N+](=O)[O-])c4ncccc34)CC[C@@H]21 ZINC000413204571 309021409 /nfs/dbraw/zinc/02/14/09/309021409.db2.gz PVOIVOBRUGEIKJ-HIFRSBDPSA-N 1 0 326.400 3.064 20 5 EGBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413278136 309024783 /nfs/dbraw/zinc/02/47/83/309024783.db2.gz FYSOKSTUEVRQNG-ZYHUDNBSSA-N 1 0 344.337 3.072 20 5 EGBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(c2ccc([N+](=O)[O-])c3ncccc23)C[C@@H](C)C1 ZINC000413306191 309026062 /nfs/dbraw/zinc/02/60/62/309026062.db2.gz UTWQSJOKOLCQCV-LBTNJELSSA-N 1 0 340.427 3.310 20 5 EGBDRO C[NH+](C)CCN(Cc1ccsc1)c1ncc([N+](=O)[O-])cc1Cl ZINC000413440340 309032092 /nfs/dbraw/zinc/03/20/92/309032092.db2.gz BZTSAPGELANYGE-UHFFFAOYSA-N 1 0 340.836 3.273 20 5 EGBDRO C[C@@H](C[NH3+])C[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000414874127 309106709 /nfs/dbraw/zinc/10/67/09/309106709.db2.gz IDBJDJZXDFUQIR-LBPRGKRZSA-N 1 0 333.363 3.211 20 5 EGBDRO Cc1cc(N)cc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)c1 ZINC000414971638 309112248 /nfs/dbraw/zinc/11/22/48/309112248.db2.gz WTKXVYRAZCPZRD-UHFFFAOYSA-N 1 0 337.326 3.377 20 5 EGBDRO C[C@H](NC(=O)C[C@@H](c1ccccc1)[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000416237183 309165271 /nfs/dbraw/zinc/16/52/71/309165271.db2.gz DGULYDIBQNZKNB-KSSFIOAISA-N 1 0 341.411 3.465 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2noc(C3C[NH+](C4CCCCC4)C3)n2)c1 ZINC000417275595 309200067 /nfs/dbraw/zinc/20/00/67/309200067.db2.gz CXMASVRZWQYAAA-UHFFFAOYSA-N 1 0 328.372 3.377 20 5 EGBDRO CC(C)c1ccc(C[NH2+][C@H]2CCN(CC(F)F)C2)cc1[N+](=O)[O-] ZINC000418135480 309237100 /nfs/dbraw/zinc/23/71/00/309237100.db2.gz PLYWQFLHYZKPQU-ZDUSSCGKSA-N 1 0 327.375 3.147 20 5 EGBDRO CC(=O)c1cc([N+](=O)[O-])ccc1OCC[N@@H+](C)Cc1ccccc1 ZINC000418928409 309258511 /nfs/dbraw/zinc/25/85/11/309258511.db2.gz ZDFZKDPMABMNHJ-UHFFFAOYSA-N 1 0 328.368 3.308 20 5 EGBDRO C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000419337993 309264897 /nfs/dbraw/zinc/26/48/97/309264897.db2.gz RPQUIVTTWUBUGI-LSDHHAIUSA-N 1 0 333.432 3.340 20 5 EGBDRO Cc1cc(N2CC[NH2+]C[C@](C)(F)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420265944 309278635 /nfs/dbraw/zinc/27/86/35/309278635.db2.gz QMSXPZKAXJGJQJ-ZDUSSCGKSA-N 1 0 335.301 3.060 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000421483958 309326676 /nfs/dbraw/zinc/32/66/76/309326676.db2.gz MPJSHWVEKGJNMN-UHFFFAOYSA-N 1 0 333.432 3.158 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000421746953 309338183 /nfs/dbraw/zinc/33/81/83/309338183.db2.gz ASMKAPKLBSLHSS-IUODEOHRSA-N 1 0 333.432 3.062 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000421750217 309338300 /nfs/dbraw/zinc/33/83/00/309338300.db2.gz UDRHOISYMXVKOG-HNNXBMFYSA-N 1 0 333.432 3.062 20 5 EGBDRO CC[C@@H](O)C[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000422088220 309354557 /nfs/dbraw/zinc/35/45/57/309354557.db2.gz RYVJARGDWGYBMJ-CQSZACIVSA-N 1 0 334.347 3.387 20 5 EGBDRO CCc1ccc([C@H](NC[C@H]2CCC[NH2+]C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000423205656 309390197 /nfs/dbraw/zinc/39/01/97/309390197.db2.gz FJTOKYXYEWRXOO-IFXJQAMLSA-N 1 0 343.427 3.429 20 5 EGBDRO Cc1c([C@@H](C)[NH2+]C[C@H]2NCCc3ccccc32)cccc1[N+](=O)[O-] ZINC000423414354 309399227 /nfs/dbraw/zinc/39/92/27/309399227.db2.gz CBVIDAPGSGFZOS-RDTXWAMCSA-N 1 0 325.412 3.441 20 5 EGBDRO C[NH2+]Cc1ccc(NC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)cc1 ZINC000423715691 309410692 /nfs/dbraw/zinc/41/06/92/309410692.db2.gz ZFYMKBBKCOBQCM-UHFFFAOYSA-N 1 0 327.384 3.492 20 5 EGBDRO CC(C)c1ccc(C(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000424056723 309427627 /nfs/dbraw/zinc/42/76/27/309427627.db2.gz CEXCFGQGSIGBQG-IPYPFGDCSA-N 1 0 333.432 3.164 20 5 EGBDRO CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000429288520 309577044 /nfs/dbraw/zinc/57/70/44/309577044.db2.gz WJAWVXFSPQNOHE-LSDHHAIUSA-N 1 0 349.431 3.025 20 5 EGBDRO CC1(C)C[C@@H]([NH2+]CCCN2CCCCC2=O)c2cc([N+](=O)[O-])ccc21 ZINC000433114966 309679280 /nfs/dbraw/zinc/67/92/80/309679280.db2.gz HIHWWGAHWRSDLV-QGZVFWFLSA-N 1 0 345.443 3.309 20 5 EGBDRO COc1ccc([C@H](C)[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000444678954 309925481 /nfs/dbraw/zinc/92/54/81/309925481.db2.gz LIZUDZPEWQUJHR-NSHDSACASA-N 1 0 326.356 3.331 20 5 EGBDRO Cc1ccc(OCC[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000447508098 309980174 /nfs/dbraw/zinc/98/01/74/309980174.db2.gz BKGZJUSADILDMX-DLBZAZTESA-N 1 0 344.415 3.252 20 5 EGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCCOC2CCCC2)n1 ZINC000447529880 309980953 /nfs/dbraw/zinc/98/09/53/309980953.db2.gz LIVPSSIDGAMJDD-JKSUJKDBSA-N 1 0 336.436 3.214 20 5 EGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(F)c(F)c2)n1 ZINC000447544494 309981720 /nfs/dbraw/zinc/98/17/20/309981720.db2.gz VSFJODHRVGIBOG-HUUCEWRRSA-N 1 0 336.342 3.343 20 5 EGBDRO CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449178364 310042531 /nfs/dbraw/zinc/04/25/31/310042531.db2.gz SNMACWKEZAQXKT-XGGYBDDLSA-N 1 0 338.473 3.195 20 5 EGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000449205419 310044567 /nfs/dbraw/zinc/04/45/67/310044567.db2.gz KHSFSLYCQASDAZ-UWIFEVILSA-N 1 0 330.428 3.463 20 5 EGBDRO C[NH2+][C@H](CC(C)(C)C)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000449246456 310047516 /nfs/dbraw/zinc/04/75/16/310047516.db2.gz DGKGBYQXYHPCFL-MRXNPFEDSA-N 1 0 335.448 3.356 20 5 EGBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(c2nccc3cc([N+](=O)[O-])ccc32)C[C@@H](C)C1 ZINC000450540982 310128972 /nfs/dbraw/zinc/12/89/72/310128972.db2.gz PQPFUTOWWSZWLT-SUNYJGFJSA-N 1 0 340.427 3.310 20 5 EGBDRO COc1ccc(NC(=O)CC[NH2+][C@H]2CCC23CCCC3)c([N+](=O)[O-])c1 ZINC000451465109 310179689 /nfs/dbraw/zinc/17/96/89/310179689.db2.gz ZQAQHXCEHCLNGS-INIZCTEOSA-N 1 0 347.415 3.244 20 5 EGBDRO COc1cc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)ccn1 ZINC000451544067 310184455 /nfs/dbraw/zinc/18/44/55/310184455.db2.gz DIQYHDXIOVEWSU-INIZCTEOSA-N 1 0 327.384 3.378 20 5 EGBDRO O=C(CC[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)N1CCCCC1 ZINC000451547672 310185055 /nfs/dbraw/zinc/18/50/55/310185055.db2.gz LLSLQEPZZQPYFF-QGZVFWFLSA-N 1 0 345.443 3.177 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]([C@H](CO)C1CC1)C1CC1 ZINC000451607612 310188969 /nfs/dbraw/zinc/18/89/69/310188969.db2.gz MZZCOWQLNZLUMG-IEBWSBKVSA-N 1 0 348.443 3.269 20 5 EGBDRO COc1ccc2c(c1)C[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)CO2 ZINC000453235572 310265822 /nfs/dbraw/zinc/26/58/22/310265822.db2.gz XZDLODTZIFFZBJ-WFASDCNBSA-N 1 0 328.368 3.258 20 5 EGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@@H]2CCCC2(F)F)n1 ZINC000453323527 310271075 /nfs/dbraw/zinc/27/10/75/310271075.db2.gz ULALIOHOEMBSIR-YNEHKIRRSA-N 1 0 328.363 3.300 20 5 EGBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)Cc2cnn(C)c2)cc1[N+](=O)[O-] ZINC000453326271 310271214 /nfs/dbraw/zinc/27/12/14/310271214.db2.gz AGMNMEAETGNIPL-QWHCGFSZSA-N 1 0 332.404 3.009 20 5 EGBDRO CNC(=O)C[C@H](C)[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000453376068 310273794 /nfs/dbraw/zinc/27/37/94/310273794.db2.gz PIMRFCIBSNDYOC-NWDGAFQWSA-N 1 0 347.440 3.499 20 5 EGBDRO Cc1ccc(C[C@@H](CO)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1C ZINC000453451767 310277792 /nfs/dbraw/zinc/27/77/92/310277792.db2.gz RVJRJMHYBIUTEF-YJBOKZPZSA-N 1 0 328.412 3.466 20 5 EGBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000454967517 310338092 /nfs/dbraw/zinc/33/80/92/310338092.db2.gz DOWRMUHKBMMKNL-KBPBESRZSA-N 1 0 336.436 3.075 20 5 EGBDRO C[NH+](C)[C@H]1CCc2cc(NC(=O)c3csc([N+](=O)[O-])c3)ccc21 ZINC000456271250 310395900 /nfs/dbraw/zinc/39/59/00/310395900.db2.gz KTCCUWIYBXWCRI-AWEZNQCLSA-N 1 0 331.397 3.458 20 5 EGBDRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)Cc3cccc([N+](=O)[O-])c3)ccc21 ZINC000456282646 310396458 /nfs/dbraw/zinc/39/64/58/310396458.db2.gz SGKSBVNDHHIDAE-GOSISDBHSA-N 1 0 339.395 3.325 20 5 EGBDRO Cc1cc(NC(=O)c2csc([N+](=O)[O-])c2)ccc1OCC[NH+](C)C ZINC000458205756 310491619 /nfs/dbraw/zinc/49/16/19/310491619.db2.gz YNHKUCAAPZOVDD-UHFFFAOYSA-N 1 0 349.412 3.157 20 5 EGBDRO C[C@@H]1CCCC[C@]1(C)[NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000459616806 310564566 /nfs/dbraw/zinc/56/45/66/310564566.db2.gz QHNRMYBVIWYXEM-ACJLOTCBSA-N 1 0 347.415 3.451 20 5 EGBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)c1cncc(F)c1 ZINC000459644342 310565955 /nfs/dbraw/zinc/56/59/55/310565955.db2.gz DYYDBQJKYAEMAY-RYUDHWBXSA-N 1 0 346.362 3.197 20 5 EGBDRO C[C@@H]([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000459787833 310575438 /nfs/dbraw/zinc/57/54/38/310575438.db2.gz QNIDEEQIOREZPW-KLTVKPSUSA-N 1 0 337.807 3.353 20 5 EGBDRO CCc1ccc(C(=O)N2CC[NH+](C3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC000482069236 310926112 /nfs/dbraw/zinc/92/61/12/310926112.db2.gz UYNQFACXYHXARH-UHFFFAOYSA-N 1 0 345.443 3.248 20 5 EGBDRO CCCC[N@H+](C)CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000488870717 311082753 /nfs/dbraw/zinc/08/27/53/311082753.db2.gz ZYISNQBKVFKHRR-UHFFFAOYSA-N 1 0 335.429 3.271 20 5 EGBDRO COCC[N@H+](CCc1ccccc1)Cc1ccc([N+](=O)[O-])cc1F ZINC000491134784 311165603 /nfs/dbraw/zinc/16/56/03/311165603.db2.gz MILNDPXVMIIAGV-UHFFFAOYSA-N 1 0 332.375 3.425 20 5 EGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCc2c[nH]nc2C1 ZINC000504920004 312012587 /nfs/dbraw/zinc/01/25/87/312012587.db2.gz MIUWNYNYNIAHNQ-KBPBESRZSA-N 1 0 346.456 3.336 20 5 EGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCN(C)C(C)C ZINC000504926660 312012761 /nfs/dbraw/zinc/01/27/61/312012761.db2.gz KGABCRGZZPIGCZ-CQSZACIVSA-N 1 0 325.478 3.395 20 5 EGBDRO C[N@H+](CCC1CCCCC1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000507581712 312078231 /nfs/dbraw/zinc/07/82/31/312078231.db2.gz CYXQPOPANHQYLG-KRWDZBQOSA-N 1 0 336.432 3.237 20 5 EGBDRO C[C@](CO)([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)C1CCCCC1 ZINC000509657285 312122223 /nfs/dbraw/zinc/12/22/23/312122223.db2.gz JQVWHFAJVPRCPB-MRXNPFEDSA-N 1 0 328.359 3.294 20 5 EGBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])[C@@H]1CCCN(CC(C)(C)C)C1=O ZINC000511125599 312155376 /nfs/dbraw/zinc/15/53/76/312155376.db2.gz OJWHCVSOSCGSDR-QGZVFWFLSA-N 1 0 347.459 3.106 20 5 EGBDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000511621488 312164261 /nfs/dbraw/zinc/16/42/61/312164261.db2.gz DYEDKFXPTAKWPY-PQYPPTLTSA-N 1 0 346.427 3.237 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000512500487 312188365 /nfs/dbraw/zinc/18/83/65/312188365.db2.gz WPLCVORBUARVOR-QGZVFWFLSA-N 1 0 347.459 3.390 20 5 EGBDRO C[C@@H](C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000514834593 312247943 /nfs/dbraw/zinc/24/79/43/312247943.db2.gz JHLGNHANPIZMJS-ZBFHGGJFSA-N 1 0 333.432 3.031 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H](N3CCCC3=O)C2)cc1[N+](=O)[O-] ZINC000517246686 312371788 /nfs/dbraw/zinc/37/17/88/312371788.db2.gz FBFDYBJXIFNULA-XIRDDKMYSA-N 1 0 345.443 3.487 20 5 EGBDRO O=[N+]([O-])c1cc(Br)ccc1NC1CC[NH+](C2CC2)CC1 ZINC000078433132 454252603 /nfs/dbraw/zinc/25/26/03/454252603.db2.gz KBKGXKOCPHMEII-UHFFFAOYSA-N 1 0 340.221 3.396 20 5 EGBDRO CNc1ccc(C(=O)Nc2cc(C)cc(C[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000535421785 314045956 /nfs/dbraw/zinc/04/59/56/314045956.db2.gz OVFARSGNWUXPBP-UHFFFAOYSA-N 1 0 342.399 3.259 20 5 EGBDRO CCOc1ccc([C@@H](C)[NH2+]CCCCn2ccnc2)cc1[N+](=O)[O-] ZINC000535777309 314072914 /nfs/dbraw/zinc/07/29/14/314072914.db2.gz AGJSFOXTZVOBCL-CQSZACIVSA-N 1 0 332.404 3.321 20 5 EGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(OC[C@H]2CCOC2)CC1 ZINC000536372190 314109802 /nfs/dbraw/zinc/10/98/02/314109802.db2.gz VWZDEHOBCHOVIJ-GJZGRUSLSA-N 1 0 334.416 3.173 20 5 EGBDRO C[C@H]1CN(C)CC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000537627728 314197425 /nfs/dbraw/zinc/19/74/25/314197425.db2.gz CSBWDKZKZDNOJF-ZDUSSCGKSA-N 1 0 331.441 3.459 20 5 EGBDRO Cc1ccoc1C(=O)NCCC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000539082717 314295505 /nfs/dbraw/zinc/29/55/05/314295505.db2.gz UKTVOKGPTHMIAF-AWEZNQCLSA-N 1 0 345.399 3.275 20 5 EGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](O)CCc1ccccc1 ZINC000542488194 314550672 /nfs/dbraw/zinc/55/06/72/314550672.db2.gz NJGCMZGLPBKXRP-LPHOPBHVSA-N 1 0 342.439 3.499 20 5 EGBDRO CC[C@H](CSC)[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000091099135 454384446 /nfs/dbraw/zinc/38/44/46/454384446.db2.gz ZDZMDMFAPQWRHR-CYBMUJFWSA-N 1 0 339.461 3.305 20 5 EGBDRO Cc1ccc(C[N@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1C ZINC000552885165 315236315 /nfs/dbraw/zinc/23/63/15/315236315.db2.gz ZSPDNWJWUXUZNZ-SFHVURJKSA-N 1 0 344.411 3.083 20 5 EGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](CO)C(C)C ZINC000554085742 315297245 /nfs/dbraw/zinc/29/72/45/315297245.db2.gz PSYAQAFAKMNUMB-KBPBESRZSA-N 1 0 326.462 3.320 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCO[C@H]1C1CC1 ZINC000557274100 315504932 /nfs/dbraw/zinc/50/49/32/315504932.db2.gz SBXVPFRABHRKER-XPYUAMARSA-N 1 0 330.428 3.463 20 5 EGBDRO CC[NH+]1CCC(CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000562399535 315828464 /nfs/dbraw/zinc/82/84/64/315828464.db2.gz IVIIICKKWWSOBO-UHFFFAOYSA-N 1 0 329.347 3.340 20 5 EGBDRO C[C@H](C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000562926715 315922176 /nfs/dbraw/zinc/92/21/76/315922176.db2.gz UXDWDSKKJJRNLH-KSSFIOAISA-N 1 0 347.459 3.325 20 5 EGBDRO CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000564239358 316127769 /nfs/dbraw/zinc/12/77/69/316127769.db2.gz RJRJGUBRPBQKGW-CQSZACIVSA-N 1 0 339.823 3.195 20 5 EGBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000564373702 316143601 /nfs/dbraw/zinc/14/36/01/316143601.db2.gz ZKDXSMNNHHIGIG-CQSZACIVSA-N 1 0 336.436 3.454 20 5 EGBDRO Cc1csc([C@H](C)C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])n1 ZINC000564874009 316224472 /nfs/dbraw/zinc/22/44/72/316224472.db2.gz XKSOZBHNYGUYIP-LLVKDONJSA-N 1 0 348.428 3.082 20 5 EGBDRO C[NH+](C)C1(CN[C@@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)CCC1 ZINC000571336889 317184627 /nfs/dbraw/zinc/18/46/27/317184627.db2.gz PWIHSTBMXRGJTE-ZDUSSCGKSA-N 1 0 331.338 3.272 20 5 EGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1CCO[C@@]2(CCSC2)C1 ZINC000571819769 317252047 /nfs/dbraw/zinc/25/20/47/317252047.db2.gz JUYBJMNEKTYZSC-NUTKFTJISA-N 1 0 334.441 3.226 20 5 EGBDRO CC[N@H+](CCNc1ccc(Br)cc1[N+](=O)[O-])C1CC1 ZINC000227759372 456118093 /nfs/dbraw/zinc/11/80/93/456118093.db2.gz TWDOYYITTVNXMW-UHFFFAOYSA-N 1 0 328.210 3.254 20 5 EGBDRO Cc1ccc(C)c(OC[C@@H](O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000180414324 323439285 /nfs/dbraw/zinc/43/92/85/323439285.db2.gz FPTASTZIBVFGET-QAPCUYQASA-N 1 0 344.411 3.302 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](CC(N)=O)C1CCCCC1 ZINC000182068227 323524220 /nfs/dbraw/zinc/52/42/20/323524220.db2.gz VDHXXIVLWTVFFK-DYVFJYSZSA-N 1 0 333.432 3.378 20 5 EGBDRO CC[C@H]([NH2+]CCOc1ccc(OC)cc1[N+](=O)[O-])c1c(C)noc1C ZINC000182420896 323550427 /nfs/dbraw/zinc/55/04/27/323550427.db2.gz HEOQDOFNKQKOJK-AWEZNQCLSA-N 1 0 349.387 3.328 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C)C1CCCCC1 ZINC000182684276 323569155 /nfs/dbraw/zinc/56/91/55/323569155.db2.gz MJTVULSXITZZMM-ZDUSSCGKSA-N 1 0 349.431 3.490 20 5 EGBDRO CN(C(=O)C[NH2+][C@@H](c1ccccc1)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000192513380 323817633 /nfs/dbraw/zinc/81/76/33/323817633.db2.gz HHYWLUSLUSSGIK-IBGZPJMESA-N 1 0 339.395 3.299 20 5 EGBDRO C[C@@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)C1CCCCC1 ZINC000576853653 324694515 /nfs/dbraw/zinc/69/45/15/324694515.db2.gz JREMOJCJNQHPAT-DYVFJYSZSA-N 1 0 331.416 3.259 20 5 EGBDRO C[C@@H]1CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@H]2CCCC[C@H]12 ZINC000579818604 325162518 /nfs/dbraw/zinc/16/25/18/325162518.db2.gz MUNQJTBNJZJLKL-TWMKSMIVSA-N 1 0 348.443 3.235 20 5 EGBDRO C[C@@H](C(=O)NCC1([NH+](C)C)CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000581347254 325353127 /nfs/dbraw/zinc/35/31/27/325353127.db2.gz IWLYOQZNSDMIFS-CQSZACIVSA-N 1 0 333.432 3.079 20 5 EGBDRO C[C@H](C1CCCCC1)[N@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000581836835 325392148 /nfs/dbraw/zinc/39/21/48/325392148.db2.gz QHADZFVZRPOKNH-CQSZACIVSA-N 1 0 345.443 3.385 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000581914019 325398225 /nfs/dbraw/zinc/39/82/25/325398225.db2.gz KTEZSKIVXOKWHW-KGLIPLIRSA-N 1 0 348.447 3.399 20 5 EGBDRO Cc1c(C[NH2+][C@H](C[S@](C)=O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000183089096 455226022 /nfs/dbraw/zinc/22/60/22/455226022.db2.gz YYGWPJWVKBHTEO-MWTRTKDXSA-N 1 0 332.425 3.113 20 5 EGBDRO COc1cc(C[NH2+]C2CCC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000264574897 455239932 /nfs/dbraw/zinc/23/99/32/455239932.db2.gz XSHMRGYLRWSRKA-UHFFFAOYSA-N 1 0 334.294 3.187 20 5 EGBDRO COC(=O)c1cc(-c2cccc([C@@H]3CC[NH2+]C3)c2)cc([N+](=O)[O-])c1 ZINC000600789140 460604990 /nfs/dbraw/zinc/60/49/90/460604990.db2.gz RNJBBAFWPWIQFP-CQSZACIVSA-N 1 0 326.352 3.125 20 5 EGBDRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000024537966 453736098 /nfs/dbraw/zinc/73/60/98/453736098.db2.gz GIQJCOXNOQJLNK-OAHLLOKOSA-N 1 0 345.424 3.223 20 5 EGBDRO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)o1 ZINC000245707198 455361702 /nfs/dbraw/zinc/36/17/02/455361702.db2.gz FFQLMUCBRQIKBC-IOASZLSFSA-N 1 0 342.399 3.393 20 5 EGBDRO O=C(CC[N@@H+]1CCc2sccc2C1)Nc1ccccc1[N+](=O)[O-] ZINC000026343756 453797293 /nfs/dbraw/zinc/79/72/93/453797293.db2.gz RHJHGBJAVIUHOI-UHFFFAOYSA-N 1 0 331.397 3.043 20 5 EGBDRO C[NH+](C)[C@@H](CNc1nc2sccn2c1[N+](=O)[O-])c1ccsc1 ZINC000026720393 453804293 /nfs/dbraw/zinc/80/42/93/453804293.db2.gz BAQCJYYCRHYSFS-JTQLQIEISA-N 1 0 337.430 3.080 20 5 EGBDRO CC(C)[C@H](CNc1ncccc1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000026727772 453804785 /nfs/dbraw/zinc/80/47/85/453804785.db2.gz STLVYXWBSXMYEE-SFHVURJKSA-N 1 0 340.427 3.485 20 5 EGBDRO C[C@@H](C1CC1)[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CC1 ZINC000029726286 453830971 /nfs/dbraw/zinc/83/09/71/453830971.db2.gz AQMBHVBIGMFXKI-NSHDSACASA-N 1 0 328.372 3.408 20 5 EGBDRO CN(C(=O)C[N@H+](C1CC1)C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000052664698 453841583 /nfs/dbraw/zinc/84/15/83/453841583.db2.gz RSRGHQPJWBKXLD-UHFFFAOYSA-N 1 0 331.416 3.355 20 5 EGBDRO C[C@H]1c2ccsc2CC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000052816788 453845623 /nfs/dbraw/zinc/84/56/23/453845623.db2.gz VKKPUBRTLPIQLD-JSGCOSHPSA-N 1 0 348.424 3.015 20 5 EGBDRO Cc1ncc(C[N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)s1 ZINC000053145791 453861986 /nfs/dbraw/zinc/86/19/86/453861986.db2.gz NPJZSBAXNWEBSF-UHFFFAOYSA-N 1 0 348.428 3.129 20 5 EGBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)C1c2ccccc2-c2ccccc21 ZINC000081596540 453892680 /nfs/dbraw/zinc/89/26/80/453892680.db2.gz XZTRCWFOKHFCCM-UHFFFAOYSA-N 1 0 334.379 3.493 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000067165591 453908207 /nfs/dbraw/zinc/90/82/07/453908207.db2.gz RKPIRACJDHWBTA-OKILXGFUSA-N 1 0 333.432 3.001 20 5 EGBDRO O=C(N[C@H](C[NH+]1CCCCC1)c1ccccc1)c1ccc([N+](=O)[O-])o1 ZINC000075631014 453912594 /nfs/dbraw/zinc/91/25/94/453912594.db2.gz BBHSSLBACMFCHZ-OAHLLOKOSA-N 1 0 343.383 3.145 20 5 EGBDRO CC[NH+](CC)C[C@H]1CCN(CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000076004341 453948886 /nfs/dbraw/zinc/94/88/86/453948886.db2.gz VLMOAKYYNUBFKR-MRXNPFEDSA-N 1 0 335.448 3.027 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000076158285 453973837 /nfs/dbraw/zinc/97/38/37/453973837.db2.gz DOUNNPPJHLGZJA-UHFFFAOYSA-N 1 0 327.384 3.260 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)Cc1cccs1 ZINC000041887690 453982970 /nfs/dbraw/zinc/98/29/70/453982970.db2.gz MFHBPMNRGYZHRV-UHFFFAOYSA-N 1 0 333.413 3.425 20 5 EGBDRO Cc1cc([C@H]2CCC[N@@H+]2CCCOc2ccc([N+](=O)[O-])cc2)on1 ZINC000055903325 454023833 /nfs/dbraw/zinc/02/38/33/454023833.db2.gz RDJODIARCUMAJJ-MRXNPFEDSA-N 1 0 331.372 3.497 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@H]1C1CCCC1 ZINC000055928067 454026394 /nfs/dbraw/zinc/02/63/94/454026394.db2.gz CKEWKKQUTHKBAO-KRWDZBQOSA-N 1 0 331.416 3.496 20 5 EGBDRO Cc1c(NC(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000056530754 454065418 /nfs/dbraw/zinc/06/54/18/454065418.db2.gz BFZPEKIINMDCTN-HZSPNIEDSA-N 1 0 348.447 3.391 20 5 EGBDRO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1csc([N+](=O)[O-])c1 ZINC000044314687 454096488 /nfs/dbraw/zinc/09/64/88/454096488.db2.gz HDGPDZQFHGQMDR-OAHLLOKOSA-N 1 0 345.424 3.223 20 5 EGBDRO C[C@@H](CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000077511022 454115853 /nfs/dbraw/zinc/11/58/53/454115853.db2.gz NSXDYGSGQZYWIN-LBPRGKRZSA-N 1 0 339.823 3.100 20 5 EGBDRO O=[N+]([O-])c1ccc(Nc2ccc(CC[NH+]3CCSCC3)cc2)nc1 ZINC000057855097 454152854 /nfs/dbraw/zinc/15/28/54/454152854.db2.gz ACWISMNVQHMGAD-UHFFFAOYSA-N 1 0 344.440 3.325 20 5 EGBDRO COc1ccccc1[C@@H](CNc1ccc(F)cc1[N+](=O)[O-])[NH+](C)C ZINC000046228537 454231075 /nfs/dbraw/zinc/23/10/75/454231075.db2.gz MZZBNKFKZUQODB-MRXNPFEDSA-N 1 0 333.363 3.457 20 5 EGBDRO CCOC[C@H]1CC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000089907908 454231561 /nfs/dbraw/zinc/23/15/61/454231561.db2.gz NSIFHKWLVOSOPI-ZDUSSCGKSA-N 1 0 331.372 3.108 20 5 EGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(CN2CCCCC2=O)CC1 ZINC000071912005 454254923 /nfs/dbraw/zinc/25/49/23/454254923.db2.gz MCBYTSSMIQWWIP-OAHLLOKOSA-N 1 0 345.443 3.380 20 5 EGBDRO CC[C@H](c1ccccc1)[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000078463007 454256426 /nfs/dbraw/zinc/25/64/26/454256426.db2.gz LAXXIVCBHBLTPX-MRXNPFEDSA-N 1 0 326.400 3.263 20 5 EGBDRO Cc1nccn1CCCN(C)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000120188960 454270209 /nfs/dbraw/zinc/27/02/09/454270209.db2.gz HSJRNYQRSQWNGQ-UHFFFAOYSA-N 1 0 325.372 3.174 20 5 EGBDRO Cc1c(C(=O)Nc2ccc(OCC[NH+](C)C)cc2)cccc1[N+](=O)[O-] ZINC000046723199 454277119 /nfs/dbraw/zinc/27/71/19/454277119.db2.gz VOOUKBHKVFMOEQ-UHFFFAOYSA-N 1 0 343.383 3.096 20 5 EGBDRO Cc1cnc(N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000078674997 454296350 /nfs/dbraw/zinc/29/63/50/454296350.db2.gz GFXMGCWIVJUCSX-KRWDZBQOSA-N 1 0 340.427 3.257 20 5 EGBDRO CC(C)(C)c1ccc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000046996315 454315512 /nfs/dbraw/zinc/31/55/12/454315512.db2.gz SGTWNYFECIBFSN-JKSUJKDBSA-N 1 0 345.443 3.249 20 5 EGBDRO COc1cccc(COCC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000090806588 454341769 /nfs/dbraw/zinc/34/17/69/454341769.db2.gz LHIDCDOARFLNSY-AWEZNQCLSA-N 1 0 330.384 3.471 20 5 EGBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccc([S@](C)=O)cc1 ZINC000090910169 454350349 /nfs/dbraw/zinc/35/03/49/454350349.db2.gz JATGUGJZBJHPQD-ZAMGYDSWSA-N 1 0 332.425 3.226 20 5 EGBDRO C[C@]1(c2ccccc2)CN(Cc2c(F)cccc2[N+](=O)[O-])CCO1 ZINC000121373242 454427807 /nfs/dbraw/zinc/42/78/07/454427807.db2.gz WDYIGQVXBYOGOB-GOSISDBHSA-N 1 0 330.359 3.482 20 5 EGBDRO O=C(c1ccccc1[N+](=O)[O-])N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000063745814 454443848 /nfs/dbraw/zinc/44/38/48/454443848.db2.gz JVWXEDLDJIONOA-UHFFFAOYSA-N 1 0 345.443 3.323 20 5 EGBDRO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)Cc1ccoc1 ZINC000102409357 454503054 /nfs/dbraw/zinc/50/30/54/454503054.db2.gz GFBUXEJBGTUNAC-UHFFFAOYSA-N 1 0 331.372 3.347 20 5 EGBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000102846124 454523347 /nfs/dbraw/zinc/52/33/47/454523347.db2.gz NREUBUFQIDTABM-MRXNPFEDSA-N 1 0 327.384 3.160 20 5 EGBDRO COC1CC[NH+](CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000080250191 454556872 /nfs/dbraw/zinc/55/68/72/454556872.db2.gz VVZAOCFUAYGBSM-UHFFFAOYSA-N 1 0 347.337 3.136 20 5 EGBDRO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000134647924 454573587 /nfs/dbraw/zinc/57/35/87/454573587.db2.gz JGTATBXJVWRLDU-ZFWWWQNUSA-N 1 0 349.431 3.472 20 5 EGBDRO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000051050845 454606533 /nfs/dbraw/zinc/60/65/33/454606533.db2.gz NPECKJWZBVVWIM-NVXWUHKLSA-N 1 0 347.459 3.154 20 5 EGBDRO C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])s2)C[N@@H+]1Cc1ccccc1 ZINC000134937962 454613239 /nfs/dbraw/zinc/61/32/39/454613239.db2.gz AJGZQHCWBQBRIR-OCCSQVGLSA-N 1 0 345.424 3.049 20 5 EGBDRO C[NH+](C)Cc1ccc(CNC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1F ZINC000135395066 454672139 /nfs/dbraw/zinc/67/21/39/454672139.db2.gz KCGFJHNGLLKBFQ-UHFFFAOYSA-N 1 0 346.362 3.117 20 5 EGBDRO C[N@@H+]1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C(C)(C)C1 ZINC000093457200 454716382 /nfs/dbraw/zinc/71/63/82/454716382.db2.gz GXFHHHPIVDGMRO-UHFFFAOYSA-N 1 0 346.456 3.244 20 5 EGBDRO CCN(C[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)CC(F)(F)F ZINC000176412085 454741122 /nfs/dbraw/zinc/74/11/22/454741122.db2.gz SUYBRVANGAQRTM-AWEZNQCLSA-N 1 0 345.365 3.301 20 5 EGBDRO CCC[C@@H]([NH2+]C1CCN(C(=O)OC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000153011742 454752804 /nfs/dbraw/zinc/75/28/04/454752804.db2.gz DHTHOUFXLRAVCI-MRXNPFEDSA-N 1 0 335.404 3.256 20 5 EGBDRO O=[N+]([O-])c1cccc(CN(CC[S@@](=O)c2ccccc2)C2CC2)c1 ZINC000153231203 454772708 /nfs/dbraw/zinc/77/27/08/454772708.db2.gz VBATVRGTMFFYCE-DEOSSOPVSA-N 1 0 344.436 3.367 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCNC(=O)CC1CCCC1 ZINC000153658944 454817898 /nfs/dbraw/zinc/81/78/98/454817898.db2.gz HWNPYFMSSDLBGO-AWEZNQCLSA-N 1 0 333.432 3.250 20 5 EGBDRO CCC[NH+]1CCC(N(C)Cc2cc([N+](=O)[O-])ccc2OCC)CC1 ZINC000177677857 454890605 /nfs/dbraw/zinc/89/06/05/454890605.db2.gz GQLJUGUEMFHWGR-UHFFFAOYSA-N 1 0 335.448 3.300 20 5 EGBDRO COc1ccccc1C(C)(C)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000178868996 454986034 /nfs/dbraw/zinc/98/60/34/454986034.db2.gz UGMAOJKBDFZFBU-MRXNPFEDSA-N 1 0 330.384 3.162 20 5 EGBDRO Cc1c(NC(=O)CC[N@@H+](C)[C@@H](C)c2cccnc2)cccc1[N+](=O)[O-] ZINC000127786944 454997752 /nfs/dbraw/zinc/99/77/52/454997752.db2.gz CXOKFKJUUQKLDD-AWEZNQCLSA-N 1 0 342.399 3.320 20 5 EGBDRO CCOCCC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000115521512 455019088 /nfs/dbraw/zinc/01/90/88/455019088.db2.gz XMUVFZPUCOEKEC-CZUORRHYSA-N 1 0 339.411 3.283 20 5 EGBDRO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)cc1 ZINC000151926811 455049892 /nfs/dbraw/zinc/04/98/92/455049892.db2.gz QJVHCBQIECMJTM-DOTOQJQBSA-N 1 0 346.383 3.155 20 5 EGBDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000129230801 455103135 /nfs/dbraw/zinc/10/31/35/455103135.db2.gz SKUOJMVZJBWTBL-JTQLQIEISA-N 1 0 347.337 3.074 20 5 EGBDRO CCS(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000179948805 455104181 /nfs/dbraw/zinc/10/41/81/455104181.db2.gz AUOXGLCEJLVCMM-ZDUSSCGKSA-N 1 0 348.424 3.239 20 5 EGBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@@H]2CCCC[C@H]2Cc2ccccc2)n1 ZINC000119035252 455121638 /nfs/dbraw/zinc/12/16/38/455121638.db2.gz STSXXFHVRKPSGI-DLBZAZTESA-N 1 0 328.416 3.182 20 5 EGBDRO CNC(=O)[C@H](CC(C)C)[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000129961418 455135726 /nfs/dbraw/zinc/13/57/26/455135726.db2.gz NVJKUHXTPSAWAS-PVAVHDDUSA-N 1 0 347.459 3.056 20 5 EGBDRO Cc1c([C@H](C)[NH2+]C[C@@H](O)COc2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000152560377 455136289 /nfs/dbraw/zinc/13/62/89/455136289.db2.gz DRIPDCARUFUHFY-DZGCQCFKSA-N 1 0 348.374 3.133 20 5 EGBDRO CN(C)c1nc(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)cs1 ZINC000157025371 455161926 /nfs/dbraw/zinc/16/19/26/455161926.db2.gz IQBCEHIAJIYJTK-HNNXBMFYSA-N 1 0 346.456 3.228 20 5 EGBDRO C[C@H]([NH2+]CC(=O)N(C)[C@H]1CCCC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000180417184 455165842 /nfs/dbraw/zinc/16/58/42/455165842.db2.gz TWCOJLAQBNPIDA-ZQIUZPCESA-N 1 0 333.432 3.283 20 5 EGBDRO C[C@@H](NC(=O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000180436867 455169933 /nfs/dbraw/zinc/16/99/33/455169933.db2.gz MPYVKDRVKZSDCQ-UONOGXRCSA-N 1 0 327.384 3.123 20 5 EGBDRO CO[C@H]1C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC[C@@H]1C ZINC000189290981 455170494 /nfs/dbraw/zinc/17/04/94/455170494.db2.gz RRVZGZNJGMNWNU-GUYCJALGSA-N 1 0 345.399 3.149 20 5 EGBDRO C[C@@H]([NH2+]C[C@H]1CN(c2ccccc2)C(=O)O1)c1cccc([N+](=O)[O-])c1 ZINC000180454748 455172750 /nfs/dbraw/zinc/17/27/50/455172750.db2.gz AYFDYONPOYWNLR-DYVFJYSZSA-N 1 0 341.367 3.271 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@@H](O)c1cccc(F)c1)C1CC1 ZINC000157594381 455211264 /nfs/dbraw/zinc/21/12/64/455211264.db2.gz HKNGPWFRKZQCRV-IEBWSBKVSA-N 1 0 344.386 3.378 20 5 EGBDRO CC[C@H]([NH2+]CC(=O)N(C)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000159295954 455367732 /nfs/dbraw/zinc/36/77/32/455367732.db2.gz PNEUOXWJMBJDJS-KRWDZBQOSA-N 1 0 333.432 3.427 20 5 EGBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)c1 ZINC000245808362 455381825 /nfs/dbraw/zinc/38/18/25/455381825.db2.gz YZMXDZJQFUOAPV-FZMZJTMJSA-N 1 0 342.342 3.197 20 5 EGBDRO Cn1cc(C[NH2+][C@H]2CCOC(C)(C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000160516760 455468296 /nfs/dbraw/zinc/46/82/96/455468296.db2.gz VKUZAWKKJIAZCF-HNNXBMFYSA-N 1 0 344.415 3.043 20 5 EGBDRO O=C(CC[N@@H+]1CCc2ccccc2C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000185147112 455509966 /nfs/dbraw/zinc/50/99/66/455509966.db2.gz RMAFWKPLECYKRK-UHFFFAOYSA-N 1 0 343.358 3.121 20 5 EGBDRO COc1ccc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1[N+](=O)[O-] ZINC000246864059 455531222 /nfs/dbraw/zinc/53/12/22/455531222.db2.gz PTBNGIWJAGJKDN-DOTOQJQBSA-N 1 0 345.443 3.052 20 5 EGBDRO CS[C@@H]1CCCC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000247013094 455543541 /nfs/dbraw/zinc/54/35/41/455543541.db2.gz XNXPFMFQOSGPBY-IUODEOHRSA-N 1 0 337.445 3.139 20 5 EGBDRO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@@H](C)[C@@H]2CC)c([N+](=O)[O-])c1 ZINC000185665033 455592013 /nfs/dbraw/zinc/59/20/13/455592013.db2.gz LABIDTPYSGMKGV-DOMZBBRYSA-N 1 0 335.404 3.052 20 5 EGBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000247556586 455623630 /nfs/dbraw/zinc/62/36/30/455623630.db2.gz ZSBWCGRTAILLON-ZBFHGGJFSA-N 1 0 348.447 3.220 20 5 EGBDRO C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000271421629 455631105 /nfs/dbraw/zinc/63/11/05/455631105.db2.gz BUSOKKZCEVVITE-OLZOCXBDSA-N 1 0 337.420 3.376 20 5 EGBDRO CC[C@H]1CC[C@@H](C)[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000271510205 455664306 /nfs/dbraw/zinc/66/43/06/455664306.db2.gz KBMLVPHQOOPMSG-OLZOCXBDSA-N 1 0 335.404 3.195 20 5 EGBDRO CCN(CC)C(=O)CCC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192675057 455667289 /nfs/dbraw/zinc/66/72/89/455667289.db2.gz YFOAJJRLHIUMNW-QGZVFWFLSA-N 1 0 333.432 3.210 20 5 EGBDRO CCn1cc(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])cn1 ZINC000271553950 455682610 /nfs/dbraw/zinc/68/26/10/455682610.db2.gz WFVBVOZSTBOOID-NVXWUHKLSA-N 1 0 328.416 3.312 20 5 EGBDRO COc1cccc([C@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2C)c1 ZINC000271688640 455722633 /nfs/dbraw/zinc/72/26/33/455722633.db2.gz QGUQUKCZYIKGGV-ZDUSSCGKSA-N 1 0 343.383 3.201 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1ccc2c(c1)COC2 ZINC000268945887 455738795 /nfs/dbraw/zinc/73/87/95/455738795.db2.gz WLZWCQNWXICNDL-LBPRGKRZSA-N 1 0 328.368 3.484 20 5 EGBDRO CC[C@H]1CN(c2cccnc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000612664529 460692740 /nfs/dbraw/zinc/69/27/40/460692740.db2.gz UXQXRZJYTRGFRO-INIZCTEOSA-N 1 0 326.400 3.091 20 5 EGBDRO CCn1cnnc1[C@H]1CCC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000249854907 455779860 /nfs/dbraw/zinc/77/98/60/455779860.db2.gz CYYWEMGIFKEZES-HIFRSBDPSA-N 1 0 329.404 3.147 20 5 EGBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@H](O)c1ccc(F)cc1F ZINC000285242343 455811736 /nfs/dbraw/zinc/81/17/36/455811736.db2.gz GRBKBXYBYKUDDD-KRWDZBQOSA-N 1 0 336.338 3.081 20 5 EGBDRO CCC[N@@H+]1CC[C@@H](CNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000278328958 455818865 /nfs/dbraw/zinc/81/88/65/455818865.db2.gz IFEXVSILDIDINU-JTQLQIEISA-N 1 0 332.326 3.152 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1N1CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C1)CCN2 ZINC000278360203 455828314 /nfs/dbraw/zinc/82/83/14/455828314.db2.gz KGKQOOIKNWXJPS-SUMWQHHRSA-N 1 0 342.443 3.016 20 5 EGBDRO COC(=O)c1ccc([C@@H](C)[N@H+](C)CCc2ccccc2[N+](=O)[O-])o1 ZINC000285409047 455839451 /nfs/dbraw/zinc/83/94/51/455839451.db2.gz URMJGNQOKUACSP-GFCCVEGCSA-N 1 0 332.356 3.210 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCC1CC[NH+](CCC(C)C)CC1 ZINC000194814222 455886109 /nfs/dbraw/zinc/88/61/09/455886109.db2.gz IAWDJKGZTNJRJP-UHFFFAOYSA-N 1 0 347.459 3.391 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000187249978 455887132 /nfs/dbraw/zinc/88/71/32/455887132.db2.gz NKXJYLUMLZFURD-KBXCAEBGSA-N 1 0 341.411 3.324 20 5 EGBDRO Cc1c(C(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000187248761 455887300 /nfs/dbraw/zinc/88/73/00/455887300.db2.gz JTDUXLLYKYAOMM-RDTXWAMCSA-N 1 0 341.411 3.324 20 5 EGBDRO CC(=O)N1CCC[C@@H](CNc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)C1 ZINC000280183283 455911410 /nfs/dbraw/zinc/91/14/10/455911410.db2.gz FCGMBGIJZDEHPG-AWEZNQCLSA-N 1 0 342.399 3.122 20 5 EGBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000272435584 455950805 /nfs/dbraw/zinc/95/08/05/455950805.db2.gz IBKALZZXWJUMGO-DYVFJYSZSA-N 1 0 345.443 3.059 20 5 EGBDRO Nc1ccc(NCc2cccc(C[NH+]3CCCC3)c2)c([N+](=O)[O-])c1 ZINC000285987678 455956474 /nfs/dbraw/zinc/95/64/74/455956474.db2.gz CKFMQMORCCXOBE-UHFFFAOYSA-N 1 0 326.400 3.385 20 5 EGBDRO Cn1ccnc1[C@H]([NH2+]C[C@H]1CC=CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000272470332 455961428 /nfs/dbraw/zinc/96/14/28/455961428.db2.gz AERNIUFTFFJICI-WMLDXEAASA-N 1 0 326.400 3.364 20 5 EGBDRO CSc1ccccc1C[N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000280590783 456007583 /nfs/dbraw/zinc/00/75/83/456007583.db2.gz WPAKYJZWGWZCON-MRXNPFEDSA-N 1 0 332.425 3.482 20 5 EGBDRO C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000296721379 456019130 /nfs/dbraw/zinc/01/91/30/456019130.db2.gz NNXCNJDHHGFRSO-IIDMSEBBSA-N 1 0 341.411 3.023 20 5 EGBDRO CCS[C@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000286308592 456020834 /nfs/dbraw/zinc/02/08/34/456020834.db2.gz VZYWCTJQKAQDDT-GJZGRUSLSA-N 1 0 337.445 3.106 20 5 EGBDRO CCC(=O)c1ccc(N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c([N+](=O)[O-])c1 ZINC000280648112 456022579 /nfs/dbraw/zinc/02/25/79/456022579.db2.gz FEDGQKFTVHOJNS-HUUCEWRRSA-N 1 0 331.416 3.108 20 5 EGBDRO CCC(=O)c1ccc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c([N+](=O)[O-])c1 ZINC000280683276 456029943 /nfs/dbraw/zinc/02/99/43/456029943.db2.gz IRHSYZLADNPHIN-HUUCEWRRSA-N 1 0 331.416 3.108 20 5 EGBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](CC[C@@H]3CCCCO3)CC2)cc1 ZINC000332541666 456088450 /nfs/dbraw/zinc/08/84/50/456088450.db2.gz XHKGMKXYXIMMEX-INIZCTEOSA-N 1 0 334.416 3.397 20 5 EGBDRO COc1cc(N2CC[NH+](Cc3cccc(C)c3)CC2)ccc1[N+](=O)[O-] ZINC000301342160 456094831 /nfs/dbraw/zinc/09/48/31/456094831.db2.gz GNUBNDVEDHUOGU-UHFFFAOYSA-N 1 0 341.411 3.234 20 5 EGBDRO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000281136616 456143392 /nfs/dbraw/zinc/14/33/92/456143392.db2.gz YXKWKZVAMUGQAB-LZLYRXPVSA-N 1 0 348.443 3.379 20 5 EGBDRO C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000289897762 456173700 /nfs/dbraw/zinc/17/37/00/456173700.db2.gz UELSYECYSLCXLG-CYBMUJFWSA-N 1 0 337.420 3.378 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CO)Cc2ccc(F)cc2)c(Cl)c1 ZINC000273097845 456176274 /nfs/dbraw/zinc/17/62/74/456176274.db2.gz VAXDHTMZAVJUDY-CQSZACIVSA-N 1 0 338.766 3.081 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000289918803 456180265 /nfs/dbraw/zinc/18/02/65/456180265.db2.gz VQFAXJRCULSHHU-CQSZACIVSA-N 1 0 348.447 3.257 20 5 EGBDRO CC(C)c1ccc([C@H]([NH3+])CNC(=O)c2ccc(F)cc2[N+](=O)[O-])cc1 ZINC000236777014 456182736 /nfs/dbraw/zinc/18/27/36/456182736.db2.gz RTRNERBJSXKJBM-MRXNPFEDSA-N 1 0 345.374 3.287 20 5 EGBDRO Cc1c(NC(=O)CC[N@@H+]2CCC(F)(F)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000289931311 456186810 /nfs/dbraw/zinc/18/68/10/456186810.db2.gz UWEKLJIMVNWFMT-LLVKDONJSA-N 1 0 341.358 3.209 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCC[C@@H]2C[NH+]2CCCC2)c2ccncc21 ZINC000189081654 456220391 /nfs/dbraw/zinc/22/03/91/456220391.db2.gz FZOPQPPVOZUMAU-CQSZACIVSA-N 1 0 326.400 3.208 20 5 EGBDRO C[N@H+](CCCOCc1ccccc1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000281419382 456228290 /nfs/dbraw/zinc/22/82/90/456228290.db2.gz OPKBXAQYPSAMPC-LJQANCHMSA-N 1 0 344.411 3.167 20 5 EGBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2c2nccc3cc([N+](=O)[O-])ccc32)C1 ZINC000297548327 456248496 /nfs/dbraw/zinc/24/84/96/456248496.db2.gz QOSUKCNNKHUPPQ-YOEHRIQHSA-N 1 0 326.400 3.064 20 5 EGBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000297558196 456252622 /nfs/dbraw/zinc/25/26/22/456252622.db2.gz QHOBYVKRJUPMAH-ZWKOTPCHSA-N 1 0 341.411 3.025 20 5 EGBDRO Cc1ccc(-c2noc(C3CC[NH+](C4CC4)CC3)n2)cc1[N+](=O)[O-] ZINC000290244137 456274063 /nfs/dbraw/zinc/27/40/63/456274063.db2.gz YZAZQSOWEOUSEE-UHFFFAOYSA-N 1 0 328.372 3.295 20 5 EGBDRO COc1ccc(C[NH2+][C@@H]2CCO[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000601135458 460726131 /nfs/dbraw/zinc/72/61/31/460726131.db2.gz FJOKVWYDEYRXHQ-QAPCUYQASA-N 1 0 328.368 3.223 20 5 EGBDRO CC(C)[NH+](CCN(C)c1ncnc2sc([N+](=O)[O-])cc21)C(C)C ZINC000342913179 456309946 /nfs/dbraw/zinc/30/99/46/456309946.db2.gz SLSQZCVLPKWFJE-UHFFFAOYSA-N 1 0 337.449 3.155 20 5 EGBDRO C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000281787417 456320288 /nfs/dbraw/zinc/32/02/88/456320288.db2.gz XNLNVVWZTCNQMF-LLVKDONJSA-N 1 0 342.321 3.031 20 5 EGBDRO C[NH+](C)[C@@H](CNc1c2c(ccc1[N+](=O)[O-])NCC2)c1ccccc1 ZINC000302457963 456344335 /nfs/dbraw/zinc/34/43/35/456344335.db2.gz QTWNLKILWVBWAO-KRWDZBQOSA-N 1 0 326.400 3.278 20 5 EGBDRO CC(C)[N@H+](Cc1c[nH]c2nccnc12)Cc1ccc([N+](=O)[O-])cc1 ZINC000290497061 456344550 /nfs/dbraw/zinc/34/45/50/456344550.db2.gz SEJHSZJGULZNGX-UHFFFAOYSA-N 1 0 325.372 3.277 20 5 EGBDRO Cc1cccc(N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1[N+](=O)[O-] ZINC000302519038 456353873 /nfs/dbraw/zinc/35/38/73/456353873.db2.gz WNXWYZJEMAARAY-IYBDPMFKSA-N 1 0 347.459 3.229 20 5 EGBDRO COc1ccc(NC(=O)CC[N@H+](C)[C@@H](C)c2ccco2)c([N+](=O)[O-])c1 ZINC000298173694 456380785 /nfs/dbraw/zinc/38/07/85/456380785.db2.gz QXBFTAAKYCRQAV-LBPRGKRZSA-N 1 0 347.371 3.218 20 5 EGBDRO COc1cccc(NCc2ccccc2OCC[NH+](C)C)c1[N+](=O)[O-] ZINC000290629855 456389216 /nfs/dbraw/zinc/38/92/16/456389216.db2.gz MLHUQVDCZQMUCL-UHFFFAOYSA-N 1 0 345.399 3.156 20 5 EGBDRO O=[N+]([O-])c1cc2c(ncnc2NC[C@@H]2CCCC[N@@H+]2C2CC2)s1 ZINC000343085150 456396127 /nfs/dbraw/zinc/39/61/27/456396127.db2.gz AZFRSWZQTSBINP-NSHDSACASA-N 1 0 333.417 3.028 20 5 EGBDRO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)[C@@H](CO)c1ccccc1 ZINC000343113954 456414181 /nfs/dbraw/zinc/41/41/81/456414181.db2.gz RFPJDXSLYYHFCP-SFHVURJKSA-N 1 0 330.384 3.029 20 5 EGBDRO CCOC1(C)CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000298306598 456420837 /nfs/dbraw/zinc/42/08/37/456420837.db2.gz PZGBPGKEMQKETI-UHFFFAOYSA-N 1 0 349.431 3.123 20 5 EGBDRO COCc1cc([N+](=O)[O-])ccc1NCc1ccc(CC[NH+](C)C)cc1 ZINC000276282675 456434063 /nfs/dbraw/zinc/43/40/63/456434063.db2.gz IPEAHKVVFABCBJ-UHFFFAOYSA-N 1 0 343.427 3.457 20 5 EGBDRO C[C@@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H](O)C(F)(F)F ZINC000601151349 460733276 /nfs/dbraw/zinc/73/32/76/460733276.db2.gz XIRVKUKZAIWUHI-OTYXRUKQSA-N 1 0 344.289 3.256 20 5 EGBDRO COc1cc(C[NH2+][C@H]2CCCC23CCOCC3)c([N+](=O)[O-])cc1F ZINC000282237486 456451208 /nfs/dbraw/zinc/45/12/08/456451208.db2.gz ZTXRBWSPQHUGQV-INIZCTEOSA-N 1 0 338.379 3.181 20 5 EGBDRO C[C@H]([NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H](O)C(F)(F)F ZINC000601151293 460733210 /nfs/dbraw/zinc/73/32/10/460733210.db2.gz VPUDJZYOTHBQTB-LKFCYVNXSA-N 1 0 344.289 3.256 20 5 EGBDRO C[C@H](C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)[NH+]1CCCCCC1 ZINC000303745593 456483921 /nfs/dbraw/zinc/48/39/21/456483921.db2.gz AKZFBLXNUQZLQS-MRXNPFEDSA-N 1 0 347.459 3.298 20 5 EGBDRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)CC(C)C ZINC000303588580 456469650 /nfs/dbraw/zinc/46/96/50/456469650.db2.gz OHWYXUFAGCTDTO-CQSZACIVSA-N 1 0 339.411 3.220 20 5 EGBDRO O=[N+]([O-])c1cc2ccccc2nc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000276562597 456517081 /nfs/dbraw/zinc/51/70/81/456517081.db2.gz GNRYWASLMORXLS-HNNXBMFYSA-N 1 0 326.400 3.208 20 5 EGBDRO COc1cccc(N[C@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000310346486 456581469 /nfs/dbraw/zinc/58/14/69/456581469.db2.gz FLTOQBVRFZXVDP-HNNXBMFYSA-N 1 0 327.384 3.290 20 5 EGBDRO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccc2n[nH]cc2c1 ZINC000353324088 456638218 /nfs/dbraw/zinc/63/82/18/456638218.db2.gz GRBROYQGGVHEIV-GFCCVEGCSA-N 1 0 326.356 3.201 20 5 EGBDRO CC1(C)C[C@H]([NH2+][C@H]2CC(=O)N3CCCC[C@H]23)c2cc([N+](=O)[O-])ccc21 ZINC000338021470 456656160 /nfs/dbraw/zinc/65/61/60/456656160.db2.gz UHXFSIHKCAMREI-YESZJQIVSA-N 1 0 343.427 3.060 20 5 EGBDRO COc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000299396264 456680150 /nfs/dbraw/zinc/68/01/50/456680150.db2.gz KWTGEEFDUVNPLO-OLZOCXBDSA-N 1 0 343.383 3.281 20 5 EGBDRO C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CCC(C)(C)CC1 ZINC000343619185 456748416 /nfs/dbraw/zinc/74/84/16/456748416.db2.gz UVROFWWTOJHPIK-HNNXBMFYSA-N 1 0 336.432 3.235 20 5 EGBDRO C[C@@H]1CCC[C@@H]1C[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353593885 456789785 /nfs/dbraw/zinc/78/97/85/456789785.db2.gz LVEIOCOEUGDKQR-FRFSOERESA-N 1 0 328.416 3.444 20 5 EGBDRO Cc1ccc([C@H](CNc2ncc([N+](=O)[O-])cc2C)[NH+]2CCCC2)o1 ZINC000301179270 456815259 /nfs/dbraw/zinc/81/52/59/456815259.db2.gz HFDBXIZIIRGRFY-HNNXBMFYSA-N 1 0 330.388 3.449 20 5 EGBDRO CC1(C)CN(c2ccc([N+](=O)[O-])cn2)CC[N@@H+]1Cc1ccccc1 ZINC000301193991 456818804 /nfs/dbraw/zinc/81/88/04/456818804.db2.gz XSTYDVBGWHEMNM-UHFFFAOYSA-N 1 0 326.400 3.091 20 5 EGBDRO CCc1ccc([C@H](COC)N[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)o1 ZINC000283692654 456825820 /nfs/dbraw/zinc/82/58/20/456825820.db2.gz AKHOLZHYPVCETD-NHYWBVRUSA-N 1 0 333.388 3.371 20 5 EGBDRO CC[NH+]1C[C@@H](C)N(C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000344453565 456830284 /nfs/dbraw/zinc/83/02/84/456830284.db2.gz NKLDEKONOGZNLA-VXGBXAGGSA-N 1 0 339.823 3.111 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2ccc(CN3C[C@H]4CCC[NH2+][C@H]4C3)o2)c1 ZINC000353668935 456844232 /nfs/dbraw/zinc/84/42/32/456844232.db2.gz GVZVWRHGUDYBFM-PBHICJAKSA-N 1 0 327.384 3.039 20 5 EGBDRO Cc1ccc(C)c(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000353725796 456874060 /nfs/dbraw/zinc/87/40/60/456874060.db2.gz XMGQIYVNZQKQFN-INIZCTEOSA-N 1 0 326.400 3.293 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCCC[NH+]1CCCCC1 ZINC000353905311 456960095 /nfs/dbraw/zinc/96/00/95/456960095.db2.gz IXFSNPJHJAAXSY-UHFFFAOYSA-N 1 0 334.420 3.155 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000353910600 456962591 /nfs/dbraw/zinc/96/25/91/456962591.db2.gz DLUDYUBEDDDXOL-INIZCTEOSA-N 1 0 346.431 3.249 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000353922143 456966174 /nfs/dbraw/zinc/96/61/74/456966174.db2.gz OLEAUNPCYBVEHA-CXAGYDPISA-N 1 0 346.431 3.248 20 5 EGBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H]2Cc2ccccc2)c2c(c1)COCO2 ZINC000353998374 456995570 /nfs/dbraw/zinc/99/55/70/456995570.db2.gz UQMRANGEIGFDCO-KRWDZBQOSA-N 1 0 340.379 3.278 20 5 EGBDRO CN(c1ccccc1)c1ccc(C[N@@H+]2CC[C@](C)(O)C2)cc1[N+](=O)[O-] ZINC000354044680 457030229 /nfs/dbraw/zinc/03/02/29/457030229.db2.gz LMTOEHTYMDAQAX-IBGZPJMESA-N 1 0 341.411 3.319 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000354045727 457031815 /nfs/dbraw/zinc/03/18/15/457031815.db2.gz YTMZADSIYVJSSH-IVZVJUQRSA-N 1 0 325.368 3.156 20 5 EGBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@H](c2ccccc2)c2cncnc2)c1 ZINC000349781941 457050467 /nfs/dbraw/zinc/05/04/67/457050467.db2.gz YLTWJMGSMCJRPK-LJQANCHMSA-N 1 0 334.379 3.307 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(C(F)F)CC1 ZINC000362736738 457070369 /nfs/dbraw/zinc/07/03/69/457070369.db2.gz VWHNWCOZOONKAQ-UHFFFAOYSA-N 1 0 341.358 3.209 20 5 EGBDRO Cc1cnc(N2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000346645205 457089161 /nfs/dbraw/zinc/08/91/61/457089161.db2.gz BHLJALBKHYEQBB-JKSUJKDBSA-N 1 0 340.427 3.397 20 5 EGBDRO CC[NH+](CC)[C@@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000354183699 457116262 /nfs/dbraw/zinc/11/62/62/457116262.db2.gz FGXPNGDYUASWPR-GOSISDBHSA-N 1 0 341.411 3.294 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](CC2CC2)C1 ZINC000339687802 457213138 /nfs/dbraw/zinc/21/31/38/457213138.db2.gz SVSDHMLCGTXTFQ-HNNXBMFYSA-N 1 0 331.416 3.354 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(CN3CC[C@H]4CC[C@@H](C3)[NH2+]4)o2)cc1 ZINC000347074818 457217175 /nfs/dbraw/zinc/21/71/75/457217175.db2.gz UDCBCYVSRKNRHP-CABCVRRESA-N 1 0 327.384 3.181 20 5 EGBDRO O=C(CC[N@@H+]1CCS[C@@H]2CCCC[C@@H]21)Nc1ccc([N+](=O)[O-])cc1 ZINC000331625703 457220412 /nfs/dbraw/zinc/22/04/12/457220412.db2.gz GHALWJJTAJBYAP-JKSUJKDBSA-N 1 0 349.456 3.283 20 5 EGBDRO C[C@@H]1CN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H](C)[N@H+]1C ZINC000354447443 457228543 /nfs/dbraw/zinc/22/85/43/457228543.db2.gz NUQWTMVRBMIZKU-OKILXGFUSA-N 1 0 329.400 3.379 20 5 EGBDRO C[C@@H]1C[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C(C)(C)C1 ZINC000331690973 457232140 /nfs/dbraw/zinc/23/21/40/457232140.db2.gz XFLOOLFGKQNTDS-LBPRGKRZSA-N 1 0 333.388 3.013 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](CO)c2ccccc2Cl)c(F)c1 ZINC000342315262 457232406 /nfs/dbraw/zinc/23/24/06/457232406.db2.gz YZMBCVDPHVMSHI-GFCCVEGCSA-N 1 0 338.766 3.253 20 5 EGBDRO Cc1cc(N(CC[NH+](C)C)Cc2cccc(F)c2)ncc1[N+](=O)[O-] ZINC000347157024 457260610 /nfs/dbraw/zinc/26/06/10/457260610.db2.gz LCKRQNYANNFHMZ-UHFFFAOYSA-N 1 0 332.379 3.006 20 5 EGBDRO C[C@H]([NH2+]C1CCN(Cc2cccnc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000360494975 457316418 /nfs/dbraw/zinc/31/64/18/457316418.db2.gz IVMVKPFZXGJTSQ-HNNXBMFYSA-N 1 0 340.427 3.305 20 5 EGBDRO CCN(CCC[NH+]1CCCC1)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000357111043 457328112 /nfs/dbraw/zinc/32/81/12/457328112.db2.gz MJALEQLOYOXGEN-UHFFFAOYSA-N 1 0 344.415 3.024 20 5 EGBDRO C[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)C1(c2ccccc2)CCCC1 ZINC000360799618 457360402 /nfs/dbraw/zinc/36/04/02/457360402.db2.gz VGYKURXWEPVUML-CQSZACIVSA-N 1 0 328.416 3.318 20 5 EGBDRO COc1ccccc1OCC[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000352549826 457460330 /nfs/dbraw/zinc/46/03/30/457460330.db2.gz HVBAHPAPLHMFJA-UHFFFAOYSA-N 1 0 330.384 3.157 20 5 EGBDRO Cc1cc(NCCCNc2ccccn2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000360953957 457462104 /nfs/dbraw/zinc/46/21/04/457462104.db2.gz NQCLLIHHEDISRP-UHFFFAOYSA-N 1 0 337.383 3.182 20 5 EGBDRO Cc1ccc([C@H]2CCC[C@@H]2[N@@H+](C)Cc2c([N+](=O)[O-])ncn2C)cc1 ZINC000370045122 457514398 /nfs/dbraw/zinc/51/43/98/457514398.db2.gz JOMRFEMLEXVXTK-CVEARBPZSA-N 1 0 328.416 3.405 20 5 EGBDRO CC(C)c1ccc(C[N@@H+]2CCC[C@@H](n3ccnn3)C2)cc1[N+](=O)[O-] ZINC000425354156 457515309 /nfs/dbraw/zinc/51/53/09/457515309.db2.gz RDMHMFBAGJJMKB-OAHLLOKOSA-N 1 0 329.404 3.147 20 5 EGBDRO C[N@H+](C[C@@H](O)COc1ccc([N+](=O)[O-])cc1-c1cccs1)C1CC1 ZINC000357450766 457535959 /nfs/dbraw/zinc/53/59/59/457535959.db2.gz ITXBWNJLIZXYBA-CQSZACIVSA-N 1 0 348.424 3.157 20 5 EGBDRO C[C@]1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCN(Cc2ccccc2)C1 ZINC000406033181 457554451 /nfs/dbraw/zinc/55/44/51/457554451.db2.gz OMEVPYMXTWJCOR-IBGZPJMESA-N 1 0 325.412 3.349 20 5 EGBDRO COC1([C@H](C)[NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])CCC1 ZINC000425486483 457573383 /nfs/dbraw/zinc/57/33/83/457573383.db2.gz XTJJWKGWEYFPAW-JTQLQIEISA-N 1 0 343.221 3.405 20 5 EGBDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000361157111 457620385 /nfs/dbraw/zinc/62/03/85/457620385.db2.gz UVMGYPYODZNHNK-UONOGXRCSA-N 1 0 329.400 3.379 20 5 EGBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000361170279 457627350 /nfs/dbraw/zinc/62/73/50/457627350.db2.gz YHHWCGFXTPYFLE-ZIAGYGMSSA-N 1 0 329.400 3.379 20 5 EGBDRO C[C@H]([NH2+][C@@H]1CC(=O)N(c2ccccc2F)C1)c1cccc([N+](=O)[O-])c1 ZINC000361185816 457636564 /nfs/dbraw/zinc/63/65/64/457636564.db2.gz IRQCQDNMRGQGSM-GXTWGEPZSA-N 1 0 343.358 3.190 20 5 EGBDRO CC[C@@H]([NH2+][C@H]1CCc2nc(C)ncc2C1)c1cccc([N+](=O)[O-])c1 ZINC000374559782 457661092 /nfs/dbraw/zinc/66/10/92/457661092.db2.gz BKRXAQSQDYFJDA-DOTOQJQBSA-N 1 0 326.400 3.291 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CCCC(C)(C)CC1 ZINC000357787297 457690082 /nfs/dbraw/zinc/69/00/82/457690082.db2.gz VDDJWKFSAAEIIN-CYBMUJFWSA-N 1 0 349.431 3.443 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](C)C[C@H](C)C1 ZINC000443644571 457796486 /nfs/dbraw/zinc/79/64/86/457796486.db2.gz YNORTPQAJMPURX-KGLIPLIRSA-N 1 0 349.431 3.300 20 5 EGBDRO COc1cc(C[N@@H+]2CCC3(CCOCC3)[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000375144729 457808583 /nfs/dbraw/zinc/80/85/83/457808583.db2.gz ZFBHMZATAZKRNG-LBPRGKRZSA-N 1 0 338.379 3.134 20 5 EGBDRO CC[C@@H]1C[C@@H](C)C[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000411306871 457854964 /nfs/dbraw/zinc/85/49/64/457854964.db2.gz WSMMEMJHKIQLJC-CHWSQXEVSA-N 1 0 335.404 3.052 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+]([C@H]3C[C@H]3c3cccc(F)c3)C2)nc1 ZINC000411372986 457867386 /nfs/dbraw/zinc/86/73/86/457867386.db2.gz GSKPIAVIEBHHRP-XIRDDKMYSA-N 1 0 342.374 3.171 20 5 EGBDRO CC[C@@H]([NH2+][C@@H](CO)Cc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000358234922 457876774 /nfs/dbraw/zinc/87/67/74/457876774.db2.gz HEXJUQIQFODCLM-SJLPKXTDSA-N 1 0 332.375 3.378 20 5 EGBDRO CC[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@@H]1CCCC[C@@H]1C ZINC000444671308 457934355 /nfs/dbraw/zinc/93/43/55/457934355.db2.gz GBFLCQIBBKVCOV-WMLDXEAASA-N 1 0 345.443 3.385 20 5 EGBDRO CC[C@@H]1CCCC[C@@H]1[N@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000444678191 457936897 /nfs/dbraw/zinc/93/68/97/457936897.db2.gz QXDDESCARROFGL-PBHICJAKSA-N 1 0 333.432 3.458 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(CN3CC[C@H]4[NH2+]CC[C@@H]4C3)o2)cc1 ZINC000427134560 457946339 /nfs/dbraw/zinc/94/63/39/457946339.db2.gz ZKYQRJFJKXLASA-RHSMWYFYSA-N 1 0 327.384 3.039 20 5 EGBDRO COCC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1CC[C@@H](C)C1 ZINC000444713772 457952407 /nfs/dbraw/zinc/95/24/07/457952407.db2.gz ZTXZZZWUZUJENK-CHWSQXEVSA-N 1 0 332.404 3.108 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](C(C)C)C1 ZINC000444771916 457972544 /nfs/dbraw/zinc/97/25/44/457972544.db2.gz SDHQZNWMDIGPSE-KBPBESRZSA-N 1 0 349.431 3.298 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCn2ccnc2C1 ZINC000427880543 458046717 /nfs/dbraw/zinc/04/67/17/458046717.db2.gz WNSSZRCBEKCGCH-USXIJHARSA-N 1 0 340.427 3.107 20 5 EGBDRO C[C@@]1(CCc2ccccc2)CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000434905881 458064687 /nfs/dbraw/zinc/06/46/87/458064687.db2.gz UJBLQAOLZQAHEP-GOSISDBHSA-N 1 0 328.416 3.136 20 5 EGBDRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000458526560 458082589 /nfs/dbraw/zinc/08/25/89/458082589.db2.gz XYAHGRHFSWFERP-GDBMZVCRSA-N 1 0 348.447 3.090 20 5 EGBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000375961595 458141412 /nfs/dbraw/zinc/14/14/12/458141412.db2.gz LYGCHYLONOYANH-ZDUSSCGKSA-N 1 0 332.379 3.237 20 5 EGBDRO Cc1ccc(C(=O)CC[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000369493081 458236094 /nfs/dbraw/zinc/23/60/94/458236094.db2.gz JTTGNOVAVMGLEI-UHFFFAOYSA-N 1 0 342.399 3.010 20 5 EGBDRO C[C@@H](NC(=O)c1sccc1C[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000446955964 458249493 /nfs/dbraw/zinc/24/94/93/458249493.db2.gz FBAJKDNPDHKVMK-LLVKDONJSA-N 1 0 333.413 3.209 20 5 EGBDRO C[N@H+]1Cc2ccccc2[C@H](Nc2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000376406043 458291871 /nfs/dbraw/zinc/29/18/71/458291871.db2.gz HIMKFFISPFHHBP-CYBMUJFWSA-N 1 0 341.396 3.198 20 5 EGBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000436382755 458297682 /nfs/dbraw/zinc/29/76/82/458297682.db2.gz CMCZXMUZUSZJMB-SNVBAGLBSA-N 1 0 344.337 3.437 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](CCCO)c1ccccc1 ZINC000430206535 458420889 /nfs/dbraw/zinc/42/08/89/458420889.db2.gz OROJUKSKFIZQAJ-QGZVFWFLSA-N 1 0 330.384 3.207 20 5 EGBDRO C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000459734162 458462226 /nfs/dbraw/zinc/46/22/26/458462226.db2.gz OGAMHNSNTIHPLC-LBPRGKRZSA-N 1 0 343.374 3.018 20 5 EGBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000377174940 458481966 /nfs/dbraw/zinc/48/19/66/458481966.db2.gz JUOGDNFITAUORK-UHFFFAOYSA-N 1 0 331.416 3.252 20 5 EGBDRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)c1ccc(CC)c([N+](=O)[O-])c1 ZINC000423942492 458519273 /nfs/dbraw/zinc/51/92/73/458519273.db2.gz PRZJMCQJCOURJO-KRWDZBQOSA-N 1 0 341.411 3.149 20 5 EGBDRO CCCN(Cc1cc([N+](=O)[O-])ccc1OC(C)C)C1CC[NH2+]CC1 ZINC000431096943 458528945 /nfs/dbraw/zinc/52/89/45/458528945.db2.gz CDTRRZPEDOUAKC-UHFFFAOYSA-N 1 0 335.448 3.346 20 5 EGBDRO CCCNC(=O)[C@H]1CCC[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000470183843 458622720 /nfs/dbraw/zinc/62/27/20/458622720.db2.gz SMIAGUADGRYILZ-JMPLCFMRSA-N 1 0 345.443 3.236 20 5 EGBDRO COc1cc(C[N@H+](C)C2Cc3ccccc3C2)c([N+](=O)[O-])cc1F ZINC000463492974 458705096 /nfs/dbraw/zinc/70/50/96/458705096.db2.gz OVDQJAAAWIZUIR-UHFFFAOYSA-N 1 0 330.359 3.342 20 5 EGBDRO C[C@@H](Nc1ccc([N+](=O)[O-])cc1Br)C1=CC[N@H+](C)CC1 ZINC000503571872 458716620 /nfs/dbraw/zinc/71/66/20/458716620.db2.gz CEFNYHOCHISLAX-SNVBAGLBSA-N 1 0 340.221 3.420 20 5 EGBDRO CCN(CC[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)CCC(F)(F)F ZINC000494851749 458757162 /nfs/dbraw/zinc/75/71/62/458757162.db2.gz SVOCIIQMSSTLIB-UHFFFAOYSA-N 1 0 333.354 3.267 20 5 EGBDRO C[N@H+](CC1CC1)C[C@H]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000472471035 458798626 /nfs/dbraw/zinc/79/86/26/458798626.db2.gz QKLPLQBCOVJRGA-CQSZACIVSA-N 1 0 337.851 3.412 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CCc3ccccc3Cl)C2)nc1 ZINC000440504304 458819701 /nfs/dbraw/zinc/81/97/01/458819701.db2.gz LRVTUQXAJAKQBY-AWEZNQCLSA-N 1 0 346.818 3.372 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]Cc1cc(C(F)(F)F)n[nH]1 ZINC000440618041 458833614 /nfs/dbraw/zinc/83/36/14/458833614.db2.gz UMQDHFIEHZCIFX-UHFFFAOYSA-N 1 0 348.712 3.322 20 5 EGBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000473771821 458843009 /nfs/dbraw/zinc/84/30/09/458843009.db2.gz GJODLGLRZYQOQM-HNNXBMFYSA-N 1 0 334.420 3.289 20 5 EGBDRO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000495428524 458853538 /nfs/dbraw/zinc/85/35/38/458853538.db2.gz XOBQNVZKLJMHPT-WQVCFCJDSA-N 1 0 333.432 3.244 20 5 EGBDRO Cc1ncc2c(n1)CC[C@H]([NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1)C2 ZINC000518767504 458892368 /nfs/dbraw/zinc/89/23/68/458892368.db2.gz GIEOFMVZMYCITL-INIZCTEOSA-N 1 0 340.427 3.464 20 5 EGBDRO Cc1[nH+]c2c(n1CCC(=O)Nc1ccccc1[N+](=O)[O-])CCCC2 ZINC000519066749 458911599 /nfs/dbraw/zinc/91/15/99/458911599.db2.gz OWHGZMCYDUZYCJ-UHFFFAOYSA-N 1 0 328.372 3.007 20 5 EGBDRO Cc1ccc(C[C@H](CO)[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])cc1 ZINC000466903289 458931900 /nfs/dbraw/zinc/93/19/00/458931900.db2.gz RPRJWSGAEDZTTM-WLPBJKJWSA-N 1 0 326.396 3.110 20 5 EGBDRO Cc1cc(C[NH3+])cc(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)c1 ZINC000457377697 458937455 /nfs/dbraw/zinc/93/74/55/458937455.db2.gz NADHEGNICQNGFU-UHFFFAOYSA-N 1 0 342.399 3.193 20 5 EGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCN1CCc2sccc2C1 ZINC000566475986 458945467 /nfs/dbraw/zinc/94/54/67/458945467.db2.gz RNZJNXADCMFFRH-MRXNPFEDSA-N 1 0 343.452 3.292 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000475543262 458951826 /nfs/dbraw/zinc/95/18/26/458951826.db2.gz BWRIGRSAIHLDAI-ZDUSSCGKSA-N 1 0 348.447 3.455 20 5 EGBDRO C[C@@H](O)[C@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000576960022 458957129 /nfs/dbraw/zinc/95/71/29/458957129.db2.gz FEDMDHTVFKGMKE-MNOVXSKESA-N 1 0 332.322 3.206 20 5 EGBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)CC(F)(F)F ZINC000468033777 458998519 /nfs/dbraw/zinc/99/85/19/458998519.db2.gz OHCYOWCWVUOJNE-UWVGGRQHSA-N 1 0 333.310 3.242 20 5 EGBDRO C[NH+](C)Cc1ccccc1NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000567115573 459050470 /nfs/dbraw/zinc/05/04/70/459050470.db2.gz TWLIGKLNQVPBRA-UHFFFAOYSA-N 1 0 327.384 3.228 20 5 EGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC[C@@](O)(C(F)(F)F)C1 ZINC000589950032 459056610 /nfs/dbraw/zinc/05/66/10/459056610.db2.gz RYINKCBHBHIKHS-KYOSRNDESA-N 1 0 346.349 3.351 20 5 EGBDRO Cc1cnc(CC[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c(C)c1 ZINC000594509332 459067860 /nfs/dbraw/zinc/06/78/60/459067860.db2.gz HMXIOFANOVXOIC-IRXDYDNUSA-N 1 0 343.431 3.119 20 5 EGBDRO CC[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)[C@@H]1CCNC1=O ZINC000442968855 459069100 /nfs/dbraw/zinc/06/91/00/459069100.db2.gz XFDBDXFHQRPBRI-OAHLLOKOSA-N 1 0 345.424 3.034 20 5 EGBDRO CC[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccncc1 ZINC000577741545 459087987 /nfs/dbraw/zinc/08/79/87/459087987.db2.gz PEZIQUKEXPFKMN-CQSZACIVSA-N 1 0 328.372 3.059 20 5 EGBDRO CCc1ccc([C@@H](CO)[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000577745801 459089392 /nfs/dbraw/zinc/08/93/92/459089392.db2.gz VZLWBEWYWUZRKX-ZWKOTPCHSA-N 1 0 326.396 3.468 20 5 EGBDRO O=[N+]([O-])c1ccn(CC[N@H+](CCc2ccccc2F)C2CCCC2)n1 ZINC000478437817 459093129 /nfs/dbraw/zinc/09/31/29/459093129.db2.gz VXLXMTFSEXAOJK-UHFFFAOYSA-N 1 0 346.406 3.418 20 5 EGBDRO CC[N@@H+]1CCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@@H]1C ZINC000590169190 459097320 /nfs/dbraw/zinc/09/73/20/459097320.db2.gz UFTYVSCQGAGCJC-NSHDSACASA-N 1 0 331.338 3.140 20 5 EGBDRO C[C@@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc(NC(N)=O)cc1 ZINC000578026355 459135407 /nfs/dbraw/zinc/13/54/07/459135407.db2.gz QNXUJSBPNSBPMH-BZNIZROVSA-N 1 0 340.383 3.424 20 5 EGBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000590566670 459150383 /nfs/dbraw/zinc/15/03/83/459150383.db2.gz OUFVSRVAEOTLGW-WFASDCNBSA-N 1 0 333.432 3.057 20 5 EGBDRO COc1ccc(OCCn2c(C)[nH+]c3c2CCCC3)c([N+](=O)[O-])c1 ZINC000521646670 459171120 /nfs/dbraw/zinc/17/11/20/459171120.db2.gz XFPNXLKCTMXZJM-UHFFFAOYSA-N 1 0 331.372 3.066 20 5 EGBDRO CC(C)n1cc(C2=CCC[N@H+](Cc3cccc([N+](=O)[O-])c3)CC2)nn1 ZINC000590659194 459174149 /nfs/dbraw/zinc/17/41/49/459174149.db2.gz DYBRORIBGFCETB-UHFFFAOYSA-N 1 0 341.415 3.447 20 5 EGBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+][C@@H]1CCc3ccccc31)OCCO2 ZINC000594973346 459201021 /nfs/dbraw/zinc/20/10/21/459201021.db2.gz RDLWMGXXZGDPBL-OAHLLOKOSA-N 1 0 326.352 3.143 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@H]1CCN1Cc1ccccc1 ZINC000594999211 459210215 /nfs/dbraw/zinc/21/02/15/459210215.db2.gz QLELKFRNXLGJMN-ZAOIQFLMSA-N 1 0 337.423 3.472 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H](CO)c1ccccc1 ZINC000595012679 459215680 /nfs/dbraw/zinc/21/56/80/459215680.db2.gz NNZLCAUBEZUFPO-DZGCQCFKSA-N 1 0 330.384 3.030 20 5 EGBDRO Cc1cccc(C(=O)NCC[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000480906209 459223870 /nfs/dbraw/zinc/22/38/70/459223870.db2.gz IJGUEDQZZLHCPY-HNNXBMFYSA-N 1 0 341.411 3.292 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H](CO)c1ccc(F)cc1 ZINC000595054170 459229278 /nfs/dbraw/zinc/22/92/78/459229278.db2.gz YOPYWQWFQDWMKQ-JSGCOSHPSA-N 1 0 348.374 3.169 20 5 EGBDRO CCC1CCC([N@H+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000533447518 459237536 /nfs/dbraw/zinc/23/75/36/459237536.db2.gz PJZOKGHIHBWBSB-UHFFFAOYSA-N 1 0 333.432 3.458 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+]CC(C)(C)[C@@]2(O)CCCOC2)cc1[N+](=O)[O-] ZINC000595100014 459245669 /nfs/dbraw/zinc/24/56/69/459245669.db2.gz IBDGABBOGQYBGI-RDTXWAMCSA-N 1 0 336.432 3.122 20 5 EGBDRO CC[C@@H]([NH2+]C[C@@H]1CC(=O)N(C(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000595105271 459246912 /nfs/dbraw/zinc/24/69/12/459246912.db2.gz SAJNPYDVOQEAOG-XJKSGUPXSA-N 1 0 333.432 3.283 20 5 EGBDRO Cc1c([C@@H](C)[NH2+]C[C@H]2CC(=O)N(C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000595104390 459247158 /nfs/dbraw/zinc/24/71/58/459247158.db2.gz PRCVWRMIFJZIMG-ZIAGYGMSSA-N 1 0 333.432 3.201 20 5 EGBDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(NC)c([N+](=O)[O-])c1 ZINC000522849064 459266440 /nfs/dbraw/zinc/26/64/40/459266440.db2.gz BXZHYDCRIIRVFD-OAHLLOKOSA-N 1 0 348.447 3.021 20 5 EGBDRO C[N@H+](CCCc1ccccc1)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000533881636 459274269 /nfs/dbraw/zinc/27/42/69/459274269.db2.gz MKQQFPICLSVHPR-UHFFFAOYSA-N 1 0 341.411 3.488 20 5 EGBDRO CC(C)[C@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])[C@H](O)C(F)(F)F ZINC000595483721 459321058 /nfs/dbraw/zinc/32/10/58/459321058.db2.gz VJUIOAUTSAFWSG-RYUDHWBXSA-N 1 0 340.729 3.286 20 5 EGBDRO CC[C@H](C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2)CC(F)(F)F ZINC000591265407 459343436 /nfs/dbraw/zinc/34/34/36/459343436.db2.gz VJCBYBZTQWTJMU-JTQLQIEISA-N 1 0 348.321 3.434 20 5 EGBDRO Cc1c(NC(=O)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000591272253 459344397 /nfs/dbraw/zinc/34/43/97/459344397.db2.gz PUURKVZJAIQPKA-GJZGRUSLSA-N 1 0 346.431 3.147 20 5 EGBDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000524337728 459358512 /nfs/dbraw/zinc/35/85/12/459358512.db2.gz VXNWKFVUBMNOGF-QGZVFWFLSA-N 1 0 348.447 3.049 20 5 EGBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000483714065 459384954 /nfs/dbraw/zinc/38/49/54/459384954.db2.gz NVPYNHWABMTXKO-FMKPAKJESA-N 1 0 348.447 3.170 20 5 EGBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000483714066 459385321 /nfs/dbraw/zinc/38/53/21/459385321.db2.gz NVPYNHWABMTXKO-LZWOXQAQSA-N 1 0 348.447 3.170 20 5 EGBDRO O=C(NC[C@@H]1CCC[NH2+]1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000591678790 459421526 /nfs/dbraw/zinc/42/15/26/459421526.db2.gz IBJPSGLSYZCDJM-LBPRGKRZSA-N 1 0 349.456 3.111 20 5 EGBDRO Cc1ccccc1O[C@H]1CCCC[C@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000484634329 459422727 /nfs/dbraw/zinc/42/27/27/459422727.db2.gz GTLLVRVVIYEPAF-AEFFLSMTSA-N 1 0 344.415 3.080 20 5 EGBDRO CC[N@@H+](Cc1ccc(Br)cc1[N+](=O)[O-])C[C@H]1CCOC1 ZINC000591840783 459451755 /nfs/dbraw/zinc/45/17/55/459451755.db2.gz ONNWFUYGDDTWII-LLVKDONJSA-N 1 0 343.221 3.216 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+]C1(CC(C)C)CC1 ZINC000595831009 459457068 /nfs/dbraw/zinc/45/70/68/459457068.db2.gz JWXILQATLWOLQB-LBPRGKRZSA-N 1 0 335.404 3.099 20 5 EGBDRO CC[NH+](CC)CCSc1ncc([N+](=O)[O-])c(C)c1Br ZINC000541577791 459468978 /nfs/dbraw/zinc/46/89/78/459468978.db2.gz YSZZZXCNYAMMSX-UHFFFAOYSA-N 1 0 348.266 3.495 20 5 EGBDRO COC(=O)C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)C1CCCCC1 ZINC000541600409 459471992 /nfs/dbraw/zinc/47/19/92/459471992.db2.gz GPXJYXGSNREHIM-MRXNPFEDSA-N 1 0 338.379 3.336 20 5 EGBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2C[C@H](c3ccccc3)[C@@H]3CCCC[C@H]32)n1 ZINC000485881970 459474751 /nfs/dbraw/zinc/47/47/51/459474751.db2.gz HMILBLRKTJVBMQ-RCCFBDPRSA-N 1 0 340.427 3.450 20 5 EGBDRO COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000595898497 459479922 /nfs/dbraw/zinc/47/99/22/459479922.db2.gz PSAYPLPCSWWASB-LKFLVWNSSA-N 1 0 332.400 3.142 20 5 EGBDRO CC(C)[C@H](CNc1ccc([N+](=O)[O-])c(C(N)=O)c1)[NH+]1CCCCCC1 ZINC000596068918 459508048 /nfs/dbraw/zinc/50/80/48/459508048.db2.gz ASFWNEDLMUXHHW-KRWDZBQOSA-N 1 0 348.447 3.006 20 5 EGBDRO O=c1[nH]ccc(NCC2CC[NH+](Cc3cccs3)CC2)c1[N+](=O)[O-] ZINC000596096167 459519201 /nfs/dbraw/zinc/51/92/01/459519201.db2.gz CSRFIFHXEJLFFW-UHFFFAOYSA-N 1 0 348.428 3.081 20 5 EGBDRO CC(C)CC[C@H]1CCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000486798838 459521549 /nfs/dbraw/zinc/52/15/49/459521549.db2.gz ZADWJPWXJVXGAN-NVXWUHKLSA-N 1 0 336.432 3.235 20 5 EGBDRO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)Nc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596193481 459556643 /nfs/dbraw/zinc/55/66/43/459556643.db2.gz DGSKDPQRCMKPEJ-MRXNPFEDSA-N 1 0 344.415 3.264 20 5 EGBDRO O=C1CC[C@@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)c2ccccc2N1 ZINC000542494483 459561705 /nfs/dbraw/zinc/56/17/05/459561705.db2.gz KAMCSVPIDTXGLG-MRXNPFEDSA-N 1 0 341.367 3.037 20 5 EGBDRO CC[C@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC[C@@H]1[NH3+] ZINC000592332371 459575690 /nfs/dbraw/zinc/57/56/90/459575690.db2.gz XTASAMWYFFFHHY-GWCFXTLKSA-N 1 0 333.413 3.009 20 5 EGBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(-c2nc([C@@H]3CCC[NH2+]3)no2)c1 ZINC000592356302 459578482 /nfs/dbraw/zinc/57/84/82/459578482.db2.gz KWPBHJSDRMRNCB-JTQLQIEISA-N 1 0 328.250 3.088 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2nc(-c3nc([C@@H]4CCC[NH2+]4)no3)cs2)c1 ZINC000592357327 459578797 /nfs/dbraw/zinc/57/87/97/459578797.db2.gz WTGHRABXWQSLLY-NSHDSACASA-N 1 0 343.368 3.193 20 5 EGBDRO CCC(CC)[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1F)[NH+](C)C ZINC000542718798 459585218 /nfs/dbraw/zinc/58/52/18/459585218.db2.gz XMIDTBHJQXDXBM-OAHLLOKOSA-N 1 0 340.399 3.222 20 5 EGBDRO CCOc1ccc([C@H](C)[NH2+]Cc2ccc(CO)cc2)cc1[N+](=O)[O-] ZINC000592393188 459589872 /nfs/dbraw/zinc/58/98/72/459589872.db2.gz SNYJCJZZEUEIPC-ZDUSSCGKSA-N 1 0 330.384 3.337 20 5 EGBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000592433202 459599910 /nfs/dbraw/zinc/59/99/10/459599910.db2.gz BNAQDIQVPQGVMT-STQMWFEESA-N 1 0 349.431 3.455 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1)CCC2 ZINC000584271577 459695550 /nfs/dbraw/zinc/69/55/50/459695550.db2.gz URAXVVSUQHQMTM-IUODEOHRSA-N 1 0 343.349 3.198 20 5 EGBDRO CC[NH+](CC)Cc1ccc(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)o1 ZINC000592843199 459702473 /nfs/dbraw/zinc/70/24/73/459702473.db2.gz OOUIQKFDWMRWGZ-UHFFFAOYSA-N 1 0 343.383 3.233 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ncccc1N(C)C ZINC000573646879 459709589 /nfs/dbraw/zinc/70/95/89/459709589.db2.gz HALBCIMWYGOQMH-GXDHUFHOSA-N 1 0 326.400 3.249 20 5 EGBDRO CC(C)C[C@@H]1CCC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000544145062 459733512 /nfs/dbraw/zinc/73/35/12/459733512.db2.gz DCMIQYSOHZNIAP-HOTGVXAUSA-N 1 0 336.432 3.093 20 5 EGBDRO CC[C@@H]1COC(C)(C)C[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000593056326 459757695 /nfs/dbraw/zinc/75/76/95/459757695.db2.gz GATWFOOYOPHPAU-CQSZACIVSA-N 1 0 349.431 3.121 20 5 EGBDRO Cc1cc(NC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000545329097 459825242 /nfs/dbraw/zinc/82/52/42/459825242.db2.gz JNLVPUIFQYOMQS-UHFFFAOYSA-N 1 0 334.420 3.241 20 5 EGBDRO C[C@@H](CNc1ncnc2sc([N+](=O)[O-])cc21)[N@@H+]1CCC[C@H](C)C1 ZINC000587210581 459891527 /nfs/dbraw/zinc/89/15/27/459891527.db2.gz UAGKUAPCWPXUAC-QWRGUYRKSA-N 1 0 335.433 3.132 20 5 EGBDRO CCc1ccc(C(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000598562980 459939274 /nfs/dbraw/zinc/93/92/74/459939274.db2.gz YICASUWKMJMNCY-HNNXBMFYSA-N 1 0 345.443 3.009 20 5 EGBDRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000609383441 459955251 /nfs/dbraw/zinc/95/52/51/459955251.db2.gz NWLOERKVJWNPRN-ZDUSSCGKSA-N 1 0 345.424 3.024 20 5 EGBDRO CCOC[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602486874 459962890 /nfs/dbraw/zinc/96/28/90/459962890.db2.gz WQFPXKPXVNYSNK-LLVKDONJSA-N 1 0 332.322 3.472 20 5 EGBDRO C[C@@H]1CCC[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)[C@@H]1C ZINC000602504463 459972499 /nfs/dbraw/zinc/97/24/99/459972499.db2.gz QNFGGKMWTNCBES-CKEIUWERSA-N 1 0 332.448 3.373 20 5 EGBDRO COc1ccc(C)cc1CC[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602515387 459978526 /nfs/dbraw/zinc/97/85/26/459978526.db2.gz XDBJRQRQKPQMFJ-UHFFFAOYSA-N 1 0 341.367 3.385 20 5 EGBDRO CC1CCC(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 ZINC000602524485 459982886 /nfs/dbraw/zinc/98/28/86/459982886.db2.gz KHTBNGQVUDGZBN-UHFFFAOYSA-N 1 0 332.448 3.375 20 5 EGBDRO C[NH+]1CCC(N(C(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2)CC1 ZINC000609566846 459983710 /nfs/dbraw/zinc/98/37/10/459983710.db2.gz RYYRMBIOHVJZBL-UHFFFAOYSA-N 1 0 339.395 3.336 20 5 EGBDRO CCOc1ccccc1CC[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602562899 459999245 /nfs/dbraw/zinc/99/92/45/459999245.db2.gz HXWLTJKSVQOJDZ-UHFFFAOYSA-N 1 0 341.367 3.467 20 5 EGBDRO CC[C@](C)(CCO)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602570783 460003453 /nfs/dbraw/zinc/00/34/53/460003453.db2.gz TXYMIYPWOSAPNN-LLVKDONJSA-N 1 0 337.239 3.060 20 5 EGBDRO [NH3+][C@]12CCC[C@@H]1CN(Cc1ccc(-c3ccc([N+](=O)[O-])cc3)o1)C2 ZINC000598719955 460004829 /nfs/dbraw/zinc/00/48/29/460004829.db2.gz OUPFVWVMXLOAOO-KDOFPFPSSA-N 1 0 327.384 3.168 20 5 EGBDRO [NH3+][C@@]12CCC[C@@H]1CN(C(=O)c1cc3ccccc3c3cccnc13)C2 ZINC000621694707 460011647 /nfs/dbraw/zinc/01/16/47/460011647.db2.gz KYIKAVGERMZFES-QVKFZJNVSA-N 1 0 331.419 3.341 20 5 EGBDRO CO[C@H]([C@@H](C)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)C1CC1 ZINC000602679663 460061931 /nfs/dbraw/zinc/06/19/31/460061931.db2.gz HQVSMSUBLSOHCW-RDDDGLTNSA-N 1 0 349.250 3.322 20 5 EGBDRO Cc1c(NC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cccc1[N+](=O)[O-] ZINC000594056440 460077546 /nfs/dbraw/zinc/07/75/46/460077546.db2.gz CLPYKNLHVTVQJP-ZBFHGGJFSA-N 1 0 332.404 3.042 20 5 EGBDRO O=[N+]([O-])c1ccc2oc(CN[C@@H]3CC[N@@H+](C4CCCCC4)C3)nc2c1 ZINC000602710943 460078406 /nfs/dbraw/zinc/07/84/06/460078406.db2.gz MFASZWGRMIHPJT-CYBMUJFWSA-N 1 0 344.415 3.233 20 5 EGBDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000598913535 460091640 /nfs/dbraw/zinc/09/16/40/460091640.db2.gz KQWGRIQCEZVINL-LBPRGKRZSA-N 1 0 328.800 3.085 20 5 EGBDRO CC[NH2+]CC1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000598914533 460091736 /nfs/dbraw/zinc/09/17/36/460091736.db2.gz GYWVRBGGAYHAOD-UHFFFAOYSA-N 1 0 340.811 3.102 20 5 EGBDRO [NH3+]CCCN(CC1CCCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000598912805 460092272 /nfs/dbraw/zinc/09/22/72/460092272.db2.gz AECOYLNFKWLCTB-UHFFFAOYSA-N 1 0 338.383 3.107 20 5 EGBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+][C@@H]1CC[C@H]3CCC[C@@H]3C1)OCCO2 ZINC000610271368 460100827 /nfs/dbraw/zinc/10/08/27/460100827.db2.gz KWWBGZUZHXVJPJ-UMVBOHGHSA-N 1 0 332.400 3.424 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(N2CC[NH+](CCc3cccs3)CC2)c1 ZINC000610274058 460101273 /nfs/dbraw/zinc/10/12/73/460101273.db2.gz HFGIGEZQTCHDNU-UHFFFAOYSA-N 1 0 347.440 3.030 20 5 EGBDRO COc1cccc([C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)OC)c1 ZINC000598987633 460118842 /nfs/dbraw/zinc/11/88/42/460118842.db2.gz KTGMWWCVAOUWPM-QGZVFWFLSA-N 1 0 334.347 3.220 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC000602776597 460120613 /nfs/dbraw/zinc/12/06/13/460120613.db2.gz VGJDJLKBKSHOAE-KRWDZBQOSA-N 1 0 328.416 3.054 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCS[C@H](C)[C@@H]1c1ccccc1 ZINC000602780941 460122643 /nfs/dbraw/zinc/12/26/43/460122643.db2.gz MKKDDRPVTHXAOJ-CXAGYDPISA-N 1 0 346.456 3.278 20 5 EGBDRO CCc1nc2c(s1)[C@@H]([N@H+](C)CCn1c(C)ncc1[N+](=O)[O-])CCC2 ZINC000602797966 460131012 /nfs/dbraw/zinc/13/10/12/460131012.db2.gz SYCRMDZJCWNETD-ZDUSSCGKSA-N 1 0 349.460 3.128 20 5 EGBDRO C[C@@H](Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)C1CC[NH+](C)CC1 ZINC000599044367 460138065 /nfs/dbraw/zinc/13/80/65/460138065.db2.gz PVPPTROFIDOERE-GFCCVEGCSA-N 1 0 346.456 3.282 20 5 EGBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000594198297 460144877 /nfs/dbraw/zinc/14/48/77/460144877.db2.gz GLWLKNRCYKUPIQ-GDBMZVCRSA-N 1 0 349.456 3.063 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H](Cn2cccn2)c2ccccc2)cc1 ZINC000610432831 460149826 /nfs/dbraw/zinc/14/98/26/460149826.db2.gz BMSNPBIITHXKPA-LJQANCHMSA-N 1 0 336.395 3.365 20 5 EGBDRO O=C1Nc2ccccc2C[C@@H]1[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000599073668 460152203 /nfs/dbraw/zinc/15/22/03/460152203.db2.gz GVJSRPSLLRUMCB-ROUUACIJSA-N 1 0 337.379 3.125 20 5 EGBDRO C[NH+](C)CCN(CCc1ccc([N+](=O)[O-])cc1)Cc1ccccc1F ZINC000610560180 460183938 /nfs/dbraw/zinc/18/39/38/460183938.db2.gz UQXMIQKQPALOEZ-UHFFFAOYSA-N 1 0 345.418 3.340 20 5 EGBDRO C[S@@](=O)c1ccc(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])cc1 ZINC000610575192 460187343 /nfs/dbraw/zinc/18/73/43/460187343.db2.gz MOLMZIKRWOCZJM-FIYNHDKVSA-N 1 0 330.409 3.135 20 5 EGBDRO CCC(C)(C)[NH+]1CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC000594388831 460202477 /nfs/dbraw/zinc/20/24/77/460202477.db2.gz BPAJKENODQRMOU-UHFFFAOYSA-N 1 0 344.415 3.023 20 5 EGBDRO Cc1ccc(C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C(C)(C)C)cc1 ZINC000599527218 460268031 /nfs/dbraw/zinc/26/80/31/460268031.db2.gz HXKCEZKAICEEEA-UHFFFAOYSA-N 1 0 343.427 3.366 20 5 EGBDRO C[C@@H]1CC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C[C@@H](C)C1 ZINC000611039378 460281781 /nfs/dbraw/zinc/28/17/81/460281781.db2.gz VWLLKMYMHXJSNC-KGLIPLIRSA-N 1 0 347.415 3.261 20 5 EGBDRO COc1ccc(OCC[N@@H+]2CCC(F)(F)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000599621637 460290020 /nfs/dbraw/zinc/29/00/20/460290020.db2.gz CNOIBFBEYCTFKB-LLVKDONJSA-N 1 0 330.331 3.102 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1ccc([S@@](C)=O)cc1 ZINC000611336467 460338432 /nfs/dbraw/zinc/33/84/32/460338432.db2.gz PMNRVSJVKMXSQY-ZAMGYDSWSA-N 1 0 332.425 3.491 20 5 EGBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]2C2CCCCC2)c1 ZINC000603840435 460346168 /nfs/dbraw/zinc/34/61/68/460346168.db2.gz BSBWOZYZWCQLKS-IEBWSBKVSA-N 1 0 348.443 3.379 20 5 EGBDRO CC[N@H+](CCc1ccccc1)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000603889675 460355998 /nfs/dbraw/zinc/35/59/98/460355998.db2.gz CABKMFUHRZHMNM-UHFFFAOYSA-N 1 0 341.411 3.122 20 5 EGBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)c1ccccn1 ZINC000611469169 460371310 /nfs/dbraw/zinc/37/13/10/460371310.db2.gz LCEZLUVLSWGVQA-OLZOCXBDSA-N 1 0 328.372 3.058 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3ccc4cc[nH]c4c3)C2)nc1 ZINC000600115003 460387636 /nfs/dbraw/zinc/38/76/36/460387636.db2.gz CLPNZEIBNSSUQF-OAHLLOKOSA-N 1 0 337.383 3.158 20 5 EGBDRO COC(=O)c1ccc(F)c(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000619785423 460444094 /nfs/dbraw/zinc/44/40/94/460444094.db2.gz VVJBKTOBONNFLC-UHFFFAOYSA-N 1 0 346.358 3.195 20 5 EGBDRO COc1ccc(COCC[N@H+](C)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000619785199 460444517 /nfs/dbraw/zinc/44/45/17/460444517.db2.gz VURJJNFPOBYDHK-UHFFFAOYSA-N 1 0 344.411 3.295 20 5 EGBDRO CC[C@@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000612121339 460547964 /nfs/dbraw/zinc/54/79/64/460547964.db2.gz IWUJSBQXSJKHKP-JKSUJKDBSA-N 1 0 336.432 3.283 20 5 EGBDRO CCOc1cc(C[NH2+][C@@H](CO)[C@H](C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000617221170 460777172 /nfs/dbraw/zinc/77/71/72/460777172.db2.gz CTFJNUTUZCASAQ-PBHICJAKSA-N 1 0 344.411 3.248 20 5 EGBDRO C[C@H](NC(=O)c1c(F)cccc1[N+](=O)[O-])[C@@H](c1ccccc1)[NH+](C)C ZINC000601456729 460815062 /nfs/dbraw/zinc/81/50/62/460815062.db2.gz VPMQNQABLXISMF-SJCJKPOMSA-N 1 0 345.374 3.155 20 5 EGBDRO O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000601549868 460829662 /nfs/dbraw/zinc/82/96/62/460829662.db2.gz WODCDXDSIKBXQX-CQSZACIVSA-N 1 0 349.406 3.261 20 5 EGBDRO C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1cccc(C(F)(F)F)c1 ZINC000181602155 533876979 /nfs/dbraw/zinc/87/69/79/533876979.db2.gz KQVCRGXMEBDIPQ-JTQLQIEISA-N 1 0 328.294 3.161 20 5 EGBDRO C[C@@H](CO[C@@H]1CCOC1)[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000130463019 534162132 /nfs/dbraw/zinc/16/21/32/534162132.db2.gz BXSLTZGICOQMJQ-BURFUSLBSA-N 1 0 348.443 3.090 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(NC2CC[NH+]([C@H](C)c3ccncc3)CC2)n1 ZINC000178664486 534326472 /nfs/dbraw/zinc/32/64/72/534326472.db2.gz ZQQWNODWYBNVNZ-CQSZACIVSA-N 1 0 341.415 3.331 20 5 EGBDRO CC(C)(C)[C@H](CCO)[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000183674239 526694485 /nfs/dbraw/zinc/69/44/85/526694485.db2.gz ZPVKFTDWBVITSL-HNNXBMFYSA-N 1 0 333.388 3.137 20 5 EGBDRO CC[NH+](CC)C[C@@H]1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000154069252 528176647 /nfs/dbraw/zinc/17/66/47/528176647.db2.gz APENQQPSLAYEIX-AWEZNQCLSA-N 1 0 325.840 3.412 20 5 EGBDRO CCNC(=O)c1cccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000178645201 528268420 /nfs/dbraw/zinc/26/84/20/528268420.db2.gz FPPVUJHEROBYLM-ZDUSSCGKSA-N 1 0 327.384 3.195 20 5 EGBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H](O)c2ccccc2)cc1[N+](=O)[O-] ZINC000152567205 528606829 /nfs/dbraw/zinc/60/68/29/528606829.db2.gz DVTHOMVMNFZWPR-GUYCJALGSA-N 1 0 330.384 3.378 20 5 EGBDRO CCOc1ccc([C@H](C)[NH2+]CC[S@](=O)C(C)(C)C)cc1[N+](=O)[O-] ZINC000153845291 528607124 /nfs/dbraw/zinc/60/71/24/528607124.db2.gz MLLQDTPSRAMLPV-DAOPMYJZSA-N 1 0 342.461 3.191 20 5 EGBDRO COc1ccc(C[N@H+](CCO)[C@@H]2CCc3ccccc32)cc1[N+](=O)[O-] ZINC000265180060 536857488 /nfs/dbraw/zinc/85/74/88/536857488.db2.gz GILJBVKARYZCHG-QGZVFWFLSA-N 1 0 342.395 3.085 20 5 EGBDRO CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000104073916 546694388 /nfs/dbraw/zinc/69/43/88/546694388.db2.gz FMCAAYWDDSNNJR-GJZGRUSLSA-N 1 0 333.432 3.388 20 5 EGBDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3sccc3Cl)CC2)n1 ZINC000328586363 547481468 /nfs/dbraw/zinc/48/14/68/547481468.db2.gz BOENBZFBKAPCAQ-UHFFFAOYSA-N 1 0 326.809 3.343 20 5 EGBDRO O=[N+]([O-])c1ccc(NC(=S)N2CCC[C@H]2C[NH+]2CCCCC2)cc1 ZINC000727701116 574685592 /nfs/dbraw/zinc/68/55/92/574685592.db2.gz PSEWNPJQMFYEJS-INIZCTEOSA-N 1 0 348.472 3.242 20 5 EGBDRO C[NH+](C)CCc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2F)cc1 ZINC000727999872 574711141 /nfs/dbraw/zinc/71/11/41/574711141.db2.gz VKSKGVDRTYOYPX-UHFFFAOYSA-N 1 0 331.347 3.090 20 5 EGBDRO O=C(O[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000735214439 575623293 /nfs/dbraw/zinc/62/32/93/575623293.db2.gz IBDWZDYKDGEESG-QGZVFWFLSA-N 1 0 344.342 3.165 20 5 EGBDRO C[N@@H+]1CCC[C@]2(CCN(c3ncc([N+](=O)[O-])c4ccccc43)C2)C1 ZINC000884516787 1302894211 /nfs/dbraw/zinc/89/42/11/1302894211.db2.gz UIOPEJVKAKWSMA-SFHVURJKSA-N 1 0 326.400 3.065 20 5 EGBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000025443564 1291255619 /nfs/dbraw/zinc/25/56/19/1291255619.db2.gz MPYXMNXPXXHXJL-UHFFFAOYSA-N 1 0 348.447 3.021 20 5 EGBDRO CC(C)[C@@H](C[NH2+]Cc1csc([N+](=O)[O-])c1)NC(=O)OC(C)(C)C ZINC000115629742 1293192627 /nfs/dbraw/zinc/19/26/27/1293192627.db2.gz ARHHGSUFCHGZKI-GFCCVEGCSA-N 1 0 343.449 3.295 20 5 EGBDRO CCC[C@@H]1CCC[N@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000121367236 1293367788 /nfs/dbraw/zinc/36/77/88/1293367788.db2.gz LLJCNIOWJBAHLG-CQSZACIVSA-N 1 0 329.404 3.323 20 5 EGBDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000124200921 1293469781 /nfs/dbraw/zinc/46/97/81/1293469781.db2.gz COSMFTAATLNLSO-JEJOPICUSA-N 1 0 345.443 3.092 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CCCF)CC2)c(C(F)(F)F)c1 ZINC000126575322 1293537990 /nfs/dbraw/zinc/53/79/90/1293537990.db2.gz WCSKPAIYVYXLHH-UHFFFAOYSA-N 1 0 335.301 3.095 20 5 EGBDRO CCO[C@@H]1CCCN(Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000129279263 1293619243 /nfs/dbraw/zinc/61/92/43/1293619243.db2.gz BAFLFZLMKYGNNJ-GFCCVEGCSA-N 1 0 343.221 3.358 20 5 EGBDRO CCCC[NH+]1CCC(NC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])CC1 ZINC000176790214 1294632285 /nfs/dbraw/zinc/63/22/85/1294632285.db2.gz ZQBLAQZQZGEROX-UHFFFAOYSA-N 1 0 337.395 3.037 20 5 EGBDRO CSc1cccc(-c2nc(C3C[C@H]4CC[C@@H](C3)[NH2+]4)no2)c1[N+](=O)[O-] ZINC000871798741 1296539568 /nfs/dbraw/zinc/53/95/68/1296539568.db2.gz RKZYEXYMYNECAH-FGWVZKOKSA-N 1 0 346.412 3.365 20 5 EGBDRO CO[C@@H]1COCC[C@H]1C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872074910 1296720076 /nfs/dbraw/zinc/72/00/76/1296720076.db2.gz KBJZRPRBBFSFKK-TYNCELHUSA-N 1 0 340.445 3.019 20 5 EGBDRO COc1ccc([C@@H](O)C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)cc1 ZINC000873010644 1297220927 /nfs/dbraw/zinc/22/09/27/1297220927.db2.gz KMWIKZIZHNWIKI-SFHVURJKSA-N 1 0 330.384 3.043 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000873035020 1297237588 /nfs/dbraw/zinc/23/75/88/1297237588.db2.gz BUUIHIVSDODONT-UHFFFAOYSA-N 1 0 345.365 3.328 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H]1CCO[C@@]2(CCSC2)C1 ZINC000873081550 1297264457 /nfs/dbraw/zinc/26/44/57/1297264457.db2.gz JUPAEHBQTQDFND-YOEHRIQHSA-N 1 0 336.457 3.356 20 5 EGBDRO O=[N+]([O-])c1ccccc1CN(Cc1cc2c(s1)CC[NH2+]C2)C1CC1 ZINC000873203289 1297347973 /nfs/dbraw/zinc/34/79/73/1297347973.db2.gz XCALKKISBCRBET-UHFFFAOYSA-N 1 0 343.452 3.467 20 5 EGBDRO Nc1cc(F)cc(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000873289820 1297410879 /nfs/dbraw/zinc/41/08/79/1297410879.db2.gz ZLXSZLYWGCPQNH-QGZVFWFLSA-N 1 0 329.375 3.427 20 5 EGBDRO O=[N+]([O-])c1cc(F)c(C[NH2+][C@@H]2CCc3ccccc3OC2)c(F)c1 ZINC000510588830 1297965614 /nfs/dbraw/zinc/96/56/14/1297965614.db2.gz CTZPWQPEDDLUHC-GFCCVEGCSA-N 1 0 334.322 3.356 20 5 EGBDRO CC(C)(C)OC(=O)N1CC[C@](C)([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000706426404 1298220808 /nfs/dbraw/zinc/22/08/08/1298220808.db2.gz ZWABJBNIUCYTEP-HNNXBMFYSA-N 1 0 341.433 3.145 20 5 EGBDRO O=C(CCCC[NH+]1CCCC1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000746932863 1298688750 /nfs/dbraw/zinc/68/87/50/1298688750.db2.gz LGYUAARZYNKDCD-UHFFFAOYSA-N 1 0 345.443 3.352 20 5 EGBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(N2CCOC2=O)cc1 ZINC000748820301 1299088072 /nfs/dbraw/zinc/08/80/72/1299088072.db2.gz TZDSXLIMXMTJCS-ZDUSSCGKSA-N 1 0 341.367 3.402 20 5 EGBDRO C[C@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])[C@H](O)c1cccc(F)c1 ZINC000749119441 1299147366 /nfs/dbraw/zinc/14/73/66/1299147366.db2.gz SFUNDJLHEONLEG-OEFOZCLKSA-N 1 0 330.359 3.459 20 5 EGBDRO CC[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1OC ZINC000749669359 1299253833 /nfs/dbraw/zinc/25/38/33/1299253833.db2.gz DDPSLTWBMPLWOM-IRXDYDNUSA-N 1 0 330.384 3.378 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@H]2CCCc3ccccc32)c1 ZINC000749670295 1299254222 /nfs/dbraw/zinc/25/42/22/1299254222.db2.gz KOGHTDRSUXBFMN-VQIMIIECSA-N 1 0 326.396 3.338 20 5 EGBDRO CC[N@H+](CN1CCN(c2ccccc2[N+](=O)[O-])C1=O)[C@H](C)C(C)C ZINC000752789037 1299794861 /nfs/dbraw/zinc/79/48/61/1299794861.db2.gz LGOQMLUCXBLOAN-CQSZACIVSA-N 1 0 334.420 3.161 20 5 EGBDRO CSCC[C@@H](C)[N@H+](C)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878250175 1299863879 /nfs/dbraw/zinc/86/38/79/1299863879.db2.gz DSWGZROZICYARK-LLVKDONJSA-N 1 0 336.417 3.218 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)CC2(O)CCCCC2)cc1[N+](=O)[O-] ZINC000878370779 1299952768 /nfs/dbraw/zinc/95/27/68/1299952768.db2.gz AVFHYFFMVUEJRS-ZBFHGGJFSA-N 1 0 336.432 3.000 20 5 EGBDRO CC(C)([NH2+]CC1CCC2(CC1)OCCO2)c1ccc([N+](=O)[O-])cc1 ZINC000753747563 1300013940 /nfs/dbraw/zinc/01/39/40/1300013940.db2.gz JHXWICSQPHROCF-UHFFFAOYSA-N 1 0 334.416 3.353 20 5 EGBDRO C[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])c1cccc(O)c1 ZINC000759694484 1301142898 /nfs/dbraw/zinc/14/28/98/1301142898.db2.gz MKUHVZGYHRATFH-SNVBAGLBSA-N 1 0 349.774 3.243 20 5 EGBDRO Cc1c(Cc2noc(CCCC[NH+]3CCCC3)n2)cccc1[N+](=O)[O-] ZINC000762319977 1301657793 /nfs/dbraw/zinc/65/77/93/1301657793.db2.gz MZFGFMBVPHWDPL-UHFFFAOYSA-N 1 0 344.415 3.296 20 5 EGBDRO C[N@@H+]1CCC[C@H]2CN(c3nc4ccc([N+](=O)[O-])cc4s3)CC[C@H]21 ZINC000765547132 1302281381 /nfs/dbraw/zinc/28/13/81/1302281381.db2.gz ZTYSSDQVLVGBFX-SMDDNHRTSA-N 1 0 332.429 3.125 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc3c(c2)C[NH2+]CC3)c1C ZINC000884032064 1302703114 /nfs/dbraw/zinc/70/31/14/1302703114.db2.gz HMEAEKTVHZFLST-UHFFFAOYSA-N 1 0 325.368 3.110 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC[NH2+]C2CCCCCC2)c1C ZINC000884037022 1302705826 /nfs/dbraw/zinc/70/58/26/1302705826.db2.gz NNPIKBLSLJBULZ-UHFFFAOYSA-N 1 0 333.432 3.254 20 5 EGBDRO Cc1ccc(C[N@H+]2C[C@H]3CN(c4ccccc4)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000768980101 1303026425 /nfs/dbraw/zinc/02/64/25/1303026425.db2.gz FTWAYCHDVFBMCS-HDICACEKSA-N 1 0 337.423 3.471 20 5 EGBDRO Cc1c([C@H](C)[NH2+]CC2CN(C(=O)OC(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000773119569 1303627929 /nfs/dbraw/zinc/62/79/29/1303627929.db2.gz JAOCQGKVWVAGFW-ZDUSSCGKSA-N 1 0 349.431 3.421 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886941266 1303638359 /nfs/dbraw/zinc/63/83/59/1303638359.db2.gz BDDMGYNFJVNSFO-SFHVURJKSA-N 1 0 346.431 3.209 20 5 EGBDRO CC[C@](C)([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000775392190 1303954551 /nfs/dbraw/zinc/95/45/51/1303954551.db2.gz YZHCFVOVHMSMJU-MJGOQNOKSA-N 1 0 344.411 3.250 20 5 EGBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000888280038 1304096780 /nfs/dbraw/zinc/09/67/80/1304096780.db2.gz YTGPOIXIZYWDCE-LLVKDONJSA-N 1 0 340.811 3.115 20 5 EGBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000888288121 1304102874 /nfs/dbraw/zinc/10/28/74/1304102874.db2.gz BXKCKLNVMRFBDL-LLVKDONJSA-N 1 0 340.811 3.020 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCCO[C@@H](c3ccccc3)C2)cc1 ZINC000776276535 1304126300 /nfs/dbraw/zinc/12/63/00/1304126300.db2.gz JKGXURMZQPSJGK-RTBURBONSA-N 1 0 342.395 3.092 20 5 EGBDRO CC(C)c1ccc(OCC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000776278862 1304127262 /nfs/dbraw/zinc/12/72/62/1304127262.db2.gz WKJCTUNHZRKTDU-IBGZPJMESA-N 1 0 344.411 3.420 20 5 EGBDRO COCC[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H](C)c1ccccc1 ZINC000776580162 1304173278 /nfs/dbraw/zinc/17/32/78/1304173278.db2.gz RUVHYNWHUUFTEU-BEFAXECRSA-N 1 0 344.411 3.338 20 5 EGBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H](OC)C(F)(F)F)cc1[N+](=O)[O-] ZINC000777008247 1304232713 /nfs/dbraw/zinc/23/27/13/1304232713.db2.gz FSEGYYQOEMMEHL-RNCFNFMXSA-N 1 0 336.310 3.221 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2cnn(C[N@@H+]3CC[C@H](c4ccco4)C3)c2)c1 ZINC000777956034 1304372723 /nfs/dbraw/zinc/37/27/23/1304372723.db2.gz YBFTZUFAZSBSOO-HNNXBMFYSA-N 1 0 338.367 3.498 20 5 EGBDRO C[C@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1(C)C ZINC000782543471 1304987516 /nfs/dbraw/zinc/98/75/16/1304987516.db2.gz DGHGPDFSRSIVRI-LBPRGKRZSA-N 1 0 337.395 3.431 20 5 EGBDRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNc1c([N+](=O)[O-])cnn1C ZINC000891844533 1305185646 /nfs/dbraw/zinc/18/56/46/1305185646.db2.gz GWJCDILWTMKYSY-AWEZNQCLSA-N 1 0 343.431 3.315 20 5 EGBDRO Cc1cccc([C@@H]2CC[N@H+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000784478463 1305248939 /nfs/dbraw/zinc/24/89/39/1305248939.db2.gz CESJHLOAXUGFIN-MJGOQNOKSA-N 1 0 326.396 3.426 20 5 EGBDRO CC(C)[NH+]1CCC(C(=O)Nc2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000892645290 1305486218 /nfs/dbraw/zinc/48/62/18/1305486218.db2.gz OTBAQNJCWHYNBJ-UHFFFAOYSA-N 1 0 342.399 3.202 20 5 EGBDRO COc1c(O)ccc(C[NH2+]CCc2ccccc2Cl)c1[N+](=O)[O-] ZINC000892750217 1305538523 /nfs/dbraw/zinc/53/85/23/1305538523.db2.gz SQMMEUVHVGXWMP-UHFFFAOYSA-N 1 0 336.775 3.295 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCc2ccccc2OC1 ZINC000786832917 1305638330 /nfs/dbraw/zinc/63/83/30/1305638330.db2.gz UCQJMBILHHPCLY-OAHLLOKOSA-N 1 0 328.368 3.087 20 5 EGBDRO C[C@H]([NH2+]CC(C)(C)N1CCC[C@@H](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788562996 1305972461 /nfs/dbraw/zinc/97/24/61/1305972461.db2.gz MXGIFWHWKMJLDE-KGLIPLIRSA-N 1 0 334.464 3.338 20 5 EGBDRO CC1(C)C[C@@H]([NH2+]CCCNc2ncccn2)c2cc([N+](=O)[O-])ccc21 ZINC000788585333 1305975126 /nfs/dbraw/zinc/97/51/26/1305975126.db2.gz QHFSNROKVJWKGO-MRXNPFEDSA-N 1 0 341.415 3.199 20 5 EGBDRO CCOC(=O)N1CC[C@H]([NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000788599883 1305978438 /nfs/dbraw/zinc/97/84/38/1305978438.db2.gz OEOKIFLLGHEYFN-BLLLJJGKSA-N 1 0 347.415 3.138 20 5 EGBDRO CCOC(=O)N1CC[C@H]([NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000788599885 1305978696 /nfs/dbraw/zinc/97/86/96/1305978696.db2.gz OEOKIFLLGHEYFN-LRDDRELGSA-N 1 0 347.415 3.138 20 5 EGBDRO COc1cc(CC[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)ccc1C ZINC000788606507 1305980419 /nfs/dbraw/zinc/98/04/19/1305980419.db2.gz ZZRANRQRXJUKPA-ZDUSSCGKSA-N 1 0 329.400 3.387 20 5 EGBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000791118380 1308923953 /nfs/dbraw/zinc/92/39/53/1308923953.db2.gz XREPFYXHLAHQAJ-AWEZNQCLSA-N 1 0 339.823 3.098 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C[C@H](CO)c1ccc(F)cc1 ZINC000894914775 1309126631 /nfs/dbraw/zinc/12/66/31/1309126631.db2.gz YGFLHRCLPCDDIN-CYBMUJFWSA-N 1 0 338.766 3.253 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3CCCCC[C@@H]3CO)cs2)c1 ZINC000895151938 1309211674 /nfs/dbraw/zinc/21/16/74/1309211674.db2.gz OBNXQKIYXNDUCQ-MRXNPFEDSA-N 1 0 347.440 3.455 20 5 EGBDRO C[C@H](O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CCCCC1 ZINC000792867307 1309247431 /nfs/dbraw/zinc/24/74/31/1309247431.db2.gz OWPFIYYPOTXNLY-LBPRGKRZSA-N 1 0 337.376 3.019 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCCC[NH+]2CCC(C)CC2)c1C ZINC000895490008 1309367139 /nfs/dbraw/zinc/36/71/39/1309367139.db2.gz JOJDOASROHSXKB-UHFFFAOYSA-N 1 0 333.432 3.063 20 5 EGBDRO Cc1nn(C[N@@H+]2CCC[C@H](C(C)(C)C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000794703188 1309578654 /nfs/dbraw/zinc/57/86/54/1309578654.db2.gz AQALMPVZXFDKIV-ZDUSSCGKSA-N 1 0 331.420 3.364 20 5 EGBDRO CC(=O)Oc1ccc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000796115247 1309911764 /nfs/dbraw/zinc/91/17/64/1309911764.db2.gz OFIKVQDAYOCLIW-UHFFFAOYSA-N 1 0 328.368 3.195 20 5 EGBDRO C[N@H+](CCCOCc1ccccc1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000799200275 1310512272 /nfs/dbraw/zinc/51/22/72/1310512272.db2.gz FUCQUSPINXXCGW-LJQANCHMSA-N 1 0 344.411 3.167 20 5 EGBDRO CN(c1cc(N)ccc1[N+](=O)[O-])[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000800856286 1310819614 /nfs/dbraw/zinc/81/96/14/1310819614.db2.gz YTMYOHYLBLJHRG-QGZVFWFLSA-N 1 0 340.427 3.278 20 5 EGBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H](O)c1ccc(Cl)cc1 ZINC000801602292 1310972320 /nfs/dbraw/zinc/97/23/20/1310972320.db2.gz ZXAHZHHXKCNBJY-QGZVFWFLSA-N 1 0 334.803 3.456 20 5 EGBDRO Cc1ccccc1CC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000824554440 1320264887 /nfs/dbraw/zinc/26/48/87/1320264887.db2.gz GJOISOYJQGJEPJ-UHFFFAOYSA-N 1 0 329.356 3.486 20 5 EGBDRO CO[C@@H](C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 ZINC000801911087 1316965190 /nfs/dbraw/zinc/96/51/90/1316965190.db2.gz TZEZHPRNTQLLPS-IBGZPJMESA-N 1 0 341.411 3.105 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1COC(=O)[C@H](C(C)C)[NH+](C)C ZINC000803495681 1317131710 /nfs/dbraw/zinc/13/17/10/1317131710.db2.gz RVFUZXSRRKWZJQ-INIZCTEOSA-N 1 0 338.404 3.011 20 5 EGBDRO Cc1ccccc1C[N@@H+]1CCCN(c2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000804348105 1317221359 /nfs/dbraw/zinc/22/13/59/1317221359.db2.gz MDGMTZUWQKKRIB-UHFFFAOYSA-N 1 0 340.427 3.198 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000900382484 1317283505 /nfs/dbraw/zinc/28/35/05/1317283505.db2.gz TZRPCNAWQNWJBN-GFCCVEGCSA-N 1 0 338.839 3.249 20 5 EGBDRO CN(CCC[N@H+](C)Cc1ccco1)c1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000804840120 1317292667 /nfs/dbraw/zinc/29/26/67/1317292667.db2.gz ALPSYCQOUYZDAL-UHFFFAOYSA-N 1 0 348.359 3.054 20 5 EGBDRO O=C(CC1CCCCC1)N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001019975205 1317482051 /nfs/dbraw/zinc/48/20/51/1317482051.db2.gz UDWRWYDDSMLGSG-QAQDUYKDSA-N 1 0 345.443 3.302 20 5 EGBDRO C[NH+](C)Cc1ccc(NC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000929808497 1328706319 /nfs/dbraw/zinc/70/63/19/1328706319.db2.gz HZCRBFDOEODOJK-MSOLQXFVSA-N 1 0 339.395 3.399 20 5 EGBDRO CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)CC1CCN(C(=O)C(C)C)CC1 ZINC000957676741 1317548231 /nfs/dbraw/zinc/54/82/31/1317548231.db2.gz ACHQBNUIIFJKIZ-UHFFFAOYSA-N 1 0 347.459 3.311 20 5 EGBDRO O=C(CC[N@@H+]1CCC[C@@H](C2CC2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000808776955 1317733084 /nfs/dbraw/zinc/73/30/84/1317733084.db2.gz QKEZQKBJINUWAU-CYBMUJFWSA-N 1 0 335.379 3.185 20 5 EGBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000808827648 1317739716 /nfs/dbraw/zinc/73/97/16/1317739716.db2.gz VHOGGUAHUDBQMW-NSHDSACASA-N 1 0 342.827 3.490 20 5 EGBDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000809918973 1317917948 /nfs/dbraw/zinc/91/79/48/1317917948.db2.gz CQQINGPHSJLVHC-ZDUSSCGKSA-N 1 0 340.811 3.052 20 5 EGBDRO CC[N@@H+]1CCN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C[C@@H]1C ZINC000809966338 1317925994 /nfs/dbraw/zinc/92/59/94/1317925994.db2.gz YDAMOUFILGAGAC-JTQLQIEISA-N 1 0 332.231 3.428 20 5 EGBDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000810145306 1317963493 /nfs/dbraw/zinc/96/34/93/1317963493.db2.gz YRUSBJOZJALJHX-SNVBAGLBSA-N 1 0 328.800 3.098 20 5 EGBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811484403 1318183262 /nfs/dbraw/zinc/18/32/62/1318183262.db2.gz WGQMMVYNNPYUCI-LKFCYVNXSA-N 1 0 344.242 3.474 20 5 EGBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)C1CCCCCC1 ZINC001021887406 1318720462 /nfs/dbraw/zinc/72/04/62/1318720462.db2.gz QJOSAECSAXBCHF-CALCHBBNSA-N 1 0 345.443 3.302 20 5 EGBDRO C[NH+](C)Cc1ccccc1NC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000930125613 1328791837 /nfs/dbraw/zinc/79/18/37/1328791837.db2.gz IVNSGWOGEMSOEY-IRXDYDNUSA-N 1 0 339.395 3.399 20 5 EGBDRO C[C@@H]([NH2+]CCCOc1ccccc1F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815559525 1319014044 /nfs/dbraw/zinc/01/40/44/1319014044.db2.gz JJLMATNYQZWNFN-GFCCVEGCSA-N 1 0 333.363 3.436 20 5 EGBDRO C[C@@H]([NH2+]C[C@@]1(O)CCCc2ccccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815578452 1319019350 /nfs/dbraw/zinc/01/93/50/1319019350.db2.gz OGLADEWHKXSODV-YJYMSZOUSA-N 1 0 341.411 3.052 20 5 EGBDRO COC[C@@H](Cc1ccccc1)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815585744 1319022301 /nfs/dbraw/zinc/02/23/01/1319022301.db2.gz QXXMBOZMZHCRST-CZUORRHYSA-N 1 0 329.400 3.085 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000930314576 1328831547 /nfs/dbraw/zinc/83/15/47/1328831547.db2.gz FRWBMDOAODZGEP-CQSZACIVSA-N 1 0 334.420 3.158 20 5 EGBDRO CCN(CC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1cccc(C)c1 ZINC000818940964 1319581207 /nfs/dbraw/zinc/58/12/07/1319581207.db2.gz MMKXEEWFCVMJFW-IBGZPJMESA-N 1 0 343.427 3.053 20 5 EGBDRO COc1ccc(CC[C@@H](C)[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000818981195 1319602493 /nfs/dbraw/zinc/60/24/93/1319602493.db2.gz SAGIMNSILJMHEF-KUHUBIRLSA-N 1 0 344.411 3.248 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@H]2CCc3ccccc3C2)c1 ZINC000819082151 1319631117 /nfs/dbraw/zinc/63/11/17/1319631117.db2.gz RPMQOFTZHNFCGM-IFXJQAMLSA-N 1 0 326.396 3.023 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CC2(c3cccc(F)c3)CC2)c1 ZINC000819091996 1319633813 /nfs/dbraw/zinc/63/38/13/1319633813.db2.gz PILXVWCMBQWKJY-QGZVFWFLSA-N 1 0 330.359 3.089 20 5 EGBDRO CC[C@H](C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)Oc1ccccc1F ZINC000819135719 1319644700 /nfs/dbraw/zinc/64/47/00/1319644700.db2.gz ZADDQKJVFFQDQM-NVXWUHKLSA-N 1 0 348.374 3.215 20 5 EGBDRO CCC(CC)[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000819213477 1319670270 /nfs/dbraw/zinc/67/02/70/1319670270.db2.gz IZGJXNQWZJOOJT-NXHRZFHOSA-N 1 0 336.432 3.202 20 5 EGBDRO CCC(CC)[C@@H]1C[C@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000819213475 1319671505 /nfs/dbraw/zinc/67/15/05/1319671505.db2.gz IZGJXNQWZJOOJT-NJAFHUGGSA-N 1 0 336.432 3.202 20 5 EGBDRO CC(C)n1cc2c(n1)[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)CCC2 ZINC000819218370 1319671983 /nfs/dbraw/zinc/67/19/83/1319671983.db2.gz OCBSUEZQWYHTTH-SJORKVTESA-N 1 0 344.415 3.073 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@H](c2ccccc2)C2CC2)c1 ZINC000819330612 1319700317 /nfs/dbraw/zinc/70/03/17/1319700317.db2.gz WVJONWHDSSIKHJ-RTBURBONSA-N 1 0 326.396 3.412 20 5 EGBDRO CC(C)(C)c1ccncc1C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819369637 1319711795 /nfs/dbraw/zinc/71/17/95/1319711795.db2.gz YKVPUTIDBCBGOF-QGZVFWFLSA-N 1 0 329.400 3.111 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000820317394 1319867713 /nfs/dbraw/zinc/86/77/13/1319867713.db2.gz DELYPSRLIKZIIF-HNNXBMFYSA-N 1 0 333.432 3.158 20 5 EGBDRO C[C@H]1CSC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Br ZINC000930455009 1328860594 /nfs/dbraw/zinc/86/05/94/1328860594.db2.gz GEPADSZJPXMOAO-UFBFGSQYSA-N 1 0 331.235 3.198 20 5 EGBDRO CC(C)(C)[NH2+]CCC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000821457280 1320014538 /nfs/dbraw/zinc/01/45/38/1320014538.db2.gz YQZKGXYKODJWNS-OAHLLOKOSA-N 1 0 333.432 3.079 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@](C)(O)c1ccccc1 ZINC000822516279 1320092751 /nfs/dbraw/zinc/09/27/51/1320092751.db2.gz JUZQGTOKNJYZCG-IBGZPJMESA-N 1 0 344.411 3.333 20 5 EGBDRO CC[NH+]1CCC(CNC(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)CC1 ZINC000825535604 1320345944 /nfs/dbraw/zinc/34/59/44/1320345944.db2.gz CACMFDXGMKYOKU-UHFFFAOYSA-N 1 0 339.823 3.018 20 5 EGBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cc(Cl)c(C)cc2[N+](=O)[O-])C1 ZINC000836729762 1320527009 /nfs/dbraw/zinc/52/70/09/1320527009.db2.gz ZCPDFAVVOUXUST-GFCCVEGCSA-N 1 0 339.823 3.113 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)cc1Cl ZINC000838148612 1320735707 /nfs/dbraw/zinc/73/57/07/1320735707.db2.gz JPZQUBXTSVANIE-LBPRGKRZSA-N 1 0 339.823 3.018 20 5 EGBDRO CC(C)(C)O[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1(C)C ZINC000839672360 1320957006 /nfs/dbraw/zinc/95/70/06/1320957006.db2.gz FIKADHXXFNCWFC-OWCLPIDISA-N 1 0 336.432 3.200 20 5 EGBDRO O=C(CC[N@@H+]1CC[C@H](C2CCC2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000839681248 1320960268 /nfs/dbraw/zinc/96/02/68/1320960268.db2.gz RDEVEZNOVOWKKO-ZDUSSCGKSA-N 1 0 335.379 3.185 20 5 EGBDRO Cc1c(CC(=O)OC[C@H]2CCC[N@@H+](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000842833858 1321439391 /nfs/dbraw/zinc/43/93/91/1321439391.db2.gz PFJPSBYMHCDGMI-HNNXBMFYSA-N 1 0 334.416 3.109 20 5 EGBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1)CC2 ZINC000843495902 1321522728 /nfs/dbraw/zinc/52/27/28/1321522728.db2.gz XDACZONRJXFBKI-UGSOOPFHSA-N 1 0 339.395 3.128 20 5 EGBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)CC1(C[NH3+])CCCCC1)CC2 ZINC000843495970 1321523048 /nfs/dbraw/zinc/52/30/48/1321523048.db2.gz YGXKLDRGOGXTHV-UHFFFAOYSA-N 1 0 331.416 3.092 20 5 EGBDRO CC(C)O[C@H]1CCCN(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000844716576 1321639587 /nfs/dbraw/zinc/63/95/87/1321639587.db2.gz KHYPTGOJCYMOOK-SFHVURJKSA-N 1 0 344.415 3.305 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000930864741 1328991002 /nfs/dbraw/zinc/99/10/02/1328991002.db2.gz WKQFZMANOIAVAG-ZDUSSCGKSA-N 1 0 334.420 3.206 20 5 EGBDRO C[C@@H](CC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000848533363 1321971133 /nfs/dbraw/zinc/97/11/33/1321971133.db2.gz HEMVWXORLYQJFD-SWLSCSKDSA-N 1 0 349.431 3.475 20 5 EGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]Cc1cccc2c1OCCO2 ZINC000848534518 1321971149 /nfs/dbraw/zinc/97/11/49/1321971149.db2.gz QTWXTAVCYOBTNP-OAHLLOKOSA-N 1 0 326.352 3.143 20 5 EGBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000920073689 1322133747 /nfs/dbraw/zinc/13/37/47/1322133747.db2.gz TYRGRWYTVUCBMM-STQMWFEESA-N 1 0 336.461 3.002 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H](O)c1ccc(C)cc1 ZINC000850425471 1322246268 /nfs/dbraw/zinc/24/62/68/1322246268.db2.gz MLRRFRVYSUHMOR-CXAGYDPISA-N 1 0 330.384 3.296 20 5 EGBDRO C[C@@H]([NH2+]C[C@H](O)c1cc(F)c(F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000850583992 1322274053 /nfs/dbraw/zinc/27/40/53/1322274053.db2.gz PMCSECBBLVFQRP-PSLIRLAXSA-N 1 0 340.301 3.396 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCc1nc2c(s1)CCC2 ZINC000922717314 1322601935 /nfs/dbraw/zinc/60/19/35/1322601935.db2.gz HOHCZRGIHQJRQM-UHFFFAOYSA-N 1 0 347.440 3.271 20 5 EGBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2C[C@H](CO)C2)ccc1Oc1ccc(F)cc1 ZINC000923006999 1322672917 /nfs/dbraw/zinc/67/29/17/1322672917.db2.gz GYIMBAXAQXGWOE-CTYIDZIISA-N 1 0 346.358 3.387 20 5 EGBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000923275875 1322724488 /nfs/dbraw/zinc/72/44/88/1322724488.db2.gz JDYBVSIFUGGXKN-OCCSQVGLSA-N 1 0 349.456 3.016 20 5 EGBDRO [NH3+]CC[C@H]1CCCCN1Cc1cc([N+](=O)[O-])ccc1Br ZINC000923354403 1322739432 /nfs/dbraw/zinc/73/94/32/1322739432.db2.gz TXYCCOAWIYNKJY-GFCCVEGCSA-N 1 0 342.237 3.061 20 5 EGBDRO COc1cccc(C2([NH2+]C[C@H](O)c3cccc([N+](=O)[O-])c3)CCC2)c1 ZINC000852694166 1323227836 /nfs/dbraw/zinc/22/78/36/1323227836.db2.gz PQOUXPPHKLJUIR-SFHVURJKSA-N 1 0 342.395 3.306 20 5 EGBDRO O=[N+]([O-])c1ccc(NC(=S)NC[C@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC000853054796 1323270148 /nfs/dbraw/zinc/27/01/48/1323270148.db2.gz ZOMDTVOBSHFPCX-CQSZACIVSA-N 1 0 348.472 3.003 20 5 EGBDRO CC1C[C@H]2CC[C@@H](C1)[N@H+]2Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000853605058 1325132102 /nfs/dbraw/zinc/13/21/02/1325132102.db2.gz FOVKUFKHAMWEAT-LQDVMPOASA-N 1 0 327.388 3.074 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000929119857 1328510686 /nfs/dbraw/zinc/51/06/86/1328510686.db2.gz SJYPRLLQNVNKJI-OAHLLOKOSA-N 1 0 346.431 3.099 20 5 EGBDRO COCCC1CC[NH+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)CC1 ZINC000863270093 1329542283 /nfs/dbraw/zinc/54/22/83/1329542283.db2.gz WERMFLVXGVZLEN-UHFFFAOYSA-N 1 0 344.415 3.164 20 5 EGBDRO C[C@@H](C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])CC1(C)OCCO1 ZINC000865675150 1329728201 /nfs/dbraw/zinc/72/82/01/1329728201.db2.gz UOOPGAXIOSWWMY-LLVKDONJSA-N 1 0 328.796 3.127 20 5 EGBDRO CC(C)C[N@@H+](Cc1ccccn1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000932448774 1329815822 /nfs/dbraw/zinc/81/58/22/1329815822.db2.gz HCWWAVQNUZJYLQ-GOSISDBHSA-N 1 0 329.400 3.181 20 5 EGBDRO C[NH+](C)CC[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000932987720 1329853084 /nfs/dbraw/zinc/85/30/84/1329853084.db2.gz WYJJBHIXPQDPAG-BBWFWOEESA-N 1 0 347.459 3.181 20 5 EGBDRO CC(C)[NH+](CCCNC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)C(C)C ZINC000933943064 1329935129 /nfs/dbraw/zinc/93/51/29/1329935129.db2.gz DAYRWJYYZSHIEP-MSOLQXFVSA-N 1 0 347.459 3.323 20 5 EGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H](CO)Cc1ccccc1 ZINC000866243112 1330084642 /nfs/dbraw/zinc/08/46/42/1330084642.db2.gz GBCLZSQOMDXAPS-GOEBONIOSA-N 1 0 346.402 3.106 20 5 EGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000866273337 1330088817 /nfs/dbraw/zinc/08/88/17/1330088817.db2.gz KDNUZQIQOWEWCR-IPALMDDQSA-N 1 0 336.407 3.458 20 5 EGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000866289453 1330091350 /nfs/dbraw/zinc/09/13/50/1330091350.db2.gz GTLQNARLWFFMSP-LLVKDONJSA-N 1 0 333.319 3.363 20 5 EGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@]1(O)CCc2ccccc21 ZINC000866310677 1330094684 /nfs/dbraw/zinc/09/46/84/1330094684.db2.gz OGDGKIACCJMLAX-ORAYPTAESA-N 1 0 344.386 3.089 20 5 EGBDRO O=C(N[C@H]1CC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1)c1ccco1 ZINC001034580969 1342627473 /nfs/dbraw/zinc/62/74/73/1342627473.db2.gz ORHUPDVDGAUTGR-SHTZXODSSA-N 1 0 343.383 3.019 20 5 EGBDRO O=C(N[C@H]1CC[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CC1)C1=CCCC1 ZINC001034626525 1342658832 /nfs/dbraw/zinc/65/88/32/1342658832.db2.gz XLTHJSLYEOPBPX-SHTZXODSSA-N 1 0 349.456 3.284 20 5 EGBDRO C[C@H](Oc1ccc([N+](=O)[O-])cc1Br)C1CC[NH2+]CC1 ZINC001218002602 1373531745 /nfs/dbraw/zinc/53/17/45/1373531745.db2.gz QVEPYSVIQWTCBT-VIFPVBQESA-N 1 0 329.194 3.124 20 5 EGBDRO C[C@H]1C[NH2+]CCC[C@@H]1Oc1cc([N+](=O)[O-])ccc1Br ZINC001217984130 1373526532 /nfs/dbraw/zinc/52/65/32/1373526532.db2.gz DWWDKANAZDFCJD-CABZTGNLSA-N 1 0 329.194 3.124 20 5 EGBDRO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC001324144618 1387547969 /nfs/dbraw/zinc/54/79/69/1387547969.db2.gz CPJJIEDSDPFTBJ-CMPLNLGQSA-N 1 0 340.811 3.243 20 5 EGBDRO O=[N+]([O-])c1ccc2oc(-c3nc([C@@H]4C[NH+]5CCC4CC5)no3)cc2c1 ZINC001325469630 1387985171 /nfs/dbraw/zinc/98/51/71/1387985171.db2.gz LDIGKBWYOMXRSY-CYBMUJFWSA-N 1 0 340.339 3.200 20 5 EGBDRO CC/C(C)=C/C(=O)N1CCC([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC001200406408 1369362114 /nfs/dbraw/zinc/36/21/14/1369362114.db2.gz RFUMCQPBZVIJLL-XYOKQWHBSA-N 1 0 337.445 3.093 20 5 EGBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCCC[C@H]1[NH+](C)C ZINC001325531492 1387998231 /nfs/dbraw/zinc/99/82/31/1387998231.db2.gz XEUBEKCLTOKUOY-KBAYOESNSA-N 1 0 347.459 3.153 20 5 EGBDRO C=C/C(C)=C\CC(=O)N1CCC([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC001202054200 1369677295 /nfs/dbraw/zinc/67/72/95/1369677295.db2.gz NJGGDGBMOIZYNT-PQMHYQBVSA-N 1 0 349.456 3.259 20 5 EGBDRO [NH3+][C@@H]1C[C@H](O)CN(Cc2ccc3ccc4cccc5ccc2c3c45)C1 ZINC001204957265 1370614754 /nfs/dbraw/zinc/61/47/54/1370614754.db2.gz QPJJZABVAHGXPQ-MOPGFXCFSA-N 1 0 330.431 3.478 20 5 EGBDRO Cc1ccc([C@H](C)NC(=O)N[C@@H]2CCCC[C@@H]2[NH+](C)C)cc1[N+](=O)[O-] ZINC001116225522 1370863544 /nfs/dbraw/zinc/86/35/44/1370863544.db2.gz LSKOGHINDVLXHL-IMJJTQAJSA-N 1 0 348.447 3.136 20 5 EGBDRO COC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001116771350 1370970750 /nfs/dbraw/zinc/97/07/50/1370970750.db2.gz PXFNCCWAVVKTPJ-HOTGVXAUSA-N 1 0 344.367 3.286 20 5 EGBDRO CC1(C)[C@H]([NH2+]CCCOc2ccc([N+](=O)[O-])cc2)[C@@H]2CCCO[C@@H]21 ZINC001119305103 1371302373 /nfs/dbraw/zinc/30/23/73/1371302373.db2.gz BMQOYMKUCMVHFM-BBWFWOEESA-N 1 0 334.416 3.157 20 5 EGBDRO C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)[N@@H+]1CCCC[C@H]1C ZINC001119778299 1371403774 /nfs/dbraw/zinc/40/37/74/1371403774.db2.gz XZWGZTRKAVDGLM-KJWYOANISA-N 1 0 345.443 3.077 20 5 EGBDRO C[NH+](C)[C@@H]1CCOc2c(Nc3ccc(N)c([N+](=O)[O-])c3)cccc21 ZINC001209937890 1372237219 /nfs/dbraw/zinc/23/72/19/1372237219.db2.gz CFPBVCFNGKDRCB-OAHLLOKOSA-N 1 0 328.372 3.306 20 5 EGBDRO O=c1c2ccc(O)cc2oc2cc(O[C@H]3C[NH2+]CCC[C@H]3F)ccc12 ZINC001217980065 1373525046 /nfs/dbraw/zinc/52/50/46/1373525046.db2.gz IUGFNCQQAFACBO-QAPCUYQASA-N 1 0 343.354 3.121 20 5 EGBDRO C[C@H]1CC[NH2+]CC[C@H]1Oc1c2ccccc2c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001218031292 1373543594 /nfs/dbraw/zinc/54/35/94/1373543594.db2.gz YSSMJXIGXDRDFB-MEDUHNTESA-N 1 0 345.355 3.423 20 5 EGBDRO C[C@@H]1C[C@@H](Oc2c(Br)cc(Cl)cc2[N+](=O)[O-])C[NH2+]1 ZINC001218039561 1373545764 /nfs/dbraw/zinc/54/57/64/1373545764.db2.gz CUUXKYWNUWBEFK-HTRCEHHLSA-N 1 0 335.585 3.140 20 5 EGBDRO C[C@@H]1C[C@@H](Oc2cc(C(F)(F)F)c3cc([N+](=O)[O-])ccc3n2)C[NH2+]1 ZINC001218039535 1373546055 /nfs/dbraw/zinc/54/60/55/1373546055.db2.gz BUJOJNWCDBDMFA-PSASIEDQSA-N 1 0 341.289 3.291 20 5 EGBDRO Cc1cc(Br)cc([N+](=O)[O-])c1O[C@H]1CC[NH2+][C@@H](C)C1 ZINC001218054506 1373548752 /nfs/dbraw/zinc/54/87/52/1373548752.db2.gz BBELNXRQFZAFCF-ONGXEEELSA-N 1 0 329.194 3.185 20 5 EGBDRO CC(C)(C)c1cc([N+](=O)[O-])c(OC2CC3(C2)CC[NH2+]C3)c([N+](=O)[O-])c1 ZINC001218063365 1373551324 /nfs/dbraw/zinc/55/13/24/1373551324.db2.gz JPWLSHVAITWIHQ-UHFFFAOYSA-N 1 0 349.387 3.321 20 5 EGBDRO O=[N+]([O-])c1ccc(Br)c(O[C@@H]2CCC[C@]23CC[NH2+]C3)c1 ZINC001218089807 1373557407 /nfs/dbraw/zinc/55/74/07/1373557407.db2.gz KLWWHDBKQRDQCE-ZIAGYGMSSA-N 1 0 341.205 3.268 20 5 EGBDRO O=[N+]([O-])c1ccc(O[C@H]2CCC[C@@]23CC[NH2+]C3)c(Br)c1 ZINC001218088577 1373557845 /nfs/dbraw/zinc/55/78/45/1373557845.db2.gz FDWUKXANJHELLI-KBPBESRZSA-N 1 0 341.205 3.268 20 5 EGBDRO O=[N+]([O-])c1ccc(O[C@H]2CCC[C@]23CC[NH2+]C3)c(Br)c1 ZINC001218088582 1373557880 /nfs/dbraw/zinc/55/78/80/1373557880.db2.gz FDWUKXANJHELLI-UONOGXRCSA-N 1 0 341.205 3.268 20 5 EGBDRO Cc1cc(Br)cc([N+](=O)[O-])c1O[C@H]1CC[C@@]12CC[NH2+]C2 ZINC001218121982 1373565038 /nfs/dbraw/zinc/56/50/38/1373565038.db2.gz YSNBOYUQUYVELS-JSGCOSHPSA-N 1 0 341.205 3.187 20 5 EGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1O[C@@H]1CCC[C@@H]2C[NH2+]C[C@@H]21 ZINC001218144692 1373568575 /nfs/dbraw/zinc/56/85/75/1373568575.db2.gz ZJVMEYKJPNCHHI-SUZMYJTESA-N 1 0 330.306 3.381 20 5 EGBDRO Cc1cc(Br)c(O[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC001218186658 1373575075 /nfs/dbraw/zinc/57/50/75/1373575075.db2.gz UUWWFWDCKLCNEN-URLYPYJESA-N 1 0 341.205 3.328 20 5 EGBDRO C[C@H](Oc1cccc2c1C[NH2+]C2)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001218216358 1373579402 /nfs/dbraw/zinc/57/94/02/1373579402.db2.gz YWVXTZFOFTWKAC-JTQLQIEISA-N 1 0 328.324 3.067 20 5 EGBDRO Cc1cc(Br)c(O[C@H]2CCC3(C[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC001218239942 1373581589 /nfs/dbraw/zinc/58/15/89/1373581589.db2.gz XLJSNEONKKIZSJ-JTQLQIEISA-N 1 0 341.205 3.187 20 5 EGBDRO O=[N+]([O-])c1cc(OC(F)(F)F)ccc1OC1CCC2(C[NH2+]C2)CC1 ZINC001218262946 1373585620 /nfs/dbraw/zinc/58/56/20/1373585620.db2.gz ZDTBHRXXHOGKQQ-UHFFFAOYSA-N 1 0 346.305 3.404 20 5 EGBDRO O=[N+]([O-])c1cc(-c2ccccc2)ccc1OC[C@@H]1C[NH2+]CCCO1 ZINC001218300454 1373590890 /nfs/dbraw/zinc/59/08/90/1373590890.db2.gz OCMADKJTOZROFF-INIZCTEOSA-N 1 0 328.368 3.019 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1ccc(OC[C@H]2C[NH2+]CCCO2)cc1 ZINC001218301249 1373590972 /nfs/dbraw/zinc/59/09/72/1373590972.db2.gz AUDMBUSSFBEOKQ-MRXNPFEDSA-N 1 0 328.368 3.019 20 5 EGBDRO CC1(C)C[NH2+]CC[C@H]1Oc1cc([N+](=O)[O-])c(F)cc1Br ZINC001218315233 1373593658 /nfs/dbraw/zinc/59/36/58/1373593658.db2.gz VZTYZVZTVWRPHC-GFCCVEGCSA-N 1 0 347.184 3.263 20 5 EGBDRO CC1(C)C[NH2+]CC[C@H]1Oc1cc([N+](=O)[O-])ccc1Br ZINC001218312884 1373593800 /nfs/dbraw/zinc/59/38/00/1373593800.db2.gz FDLMNXZQGUZHRT-GFCCVEGCSA-N 1 0 329.194 3.124 20 5 EGBDRO CC1(C)C[NH2+]CC[C@H]1Oc1c(Br)cc(F)cc1[N+](=O)[O-] ZINC001218318218 1373595007 /nfs/dbraw/zinc/59/50/07/1373595007.db2.gz XZHNZKRAVAVVKG-LLVKDONJSA-N 1 0 347.184 3.263 20 5 EGBDRO CCC(C)(C)c1cc([N+](=O)[O-])c(O[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)c([N+](=O)[O-])c1 ZINC001218477679 1373621621 /nfs/dbraw/zinc/62/16/21/1373621621.db2.gz NMJIZSKYVWBMIR-YWPYICTPSA-N 1 0 349.387 3.462 20 5 EGBDRO CC1(C)C[C@@H](Oc2c(F)cc([N+](=O)[O-])cc2Br)CC[NH2+]1 ZINC001218476811 1373621785 /nfs/dbraw/zinc/62/17/85/1373621785.db2.gz KHVIMCASLWATGB-VIFPVBQESA-N 1 0 347.184 3.406 20 5 EGBDRO Cc1ccc(O[C@H]2C[NH2+]Cc3ccccc32)c([N+](=O)[O-])c1[N+](=O)[O-] ZINC001218487063 1373623683 /nfs/dbraw/zinc/62/36/83/1373623683.db2.gz GIFPQVAYQJABTN-AWEZNQCLSA-N 1 0 329.312 3.035 20 5 EGBDRO CCCc1ccccc1C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001131124091 1373647354 /nfs/dbraw/zinc/64/73/54/1373647354.db2.gz OLMNSDPPKKWSFI-UHFFFAOYSA-N 1 0 341.411 3.067 20 5 EGBDRO CC[C@]1(C(=O)n2c3ccccc3cc3c(=O)c(N)ccc2-3)CCC[NH2+]C1 ZINC001219256699 1373696178 /nfs/dbraw/zinc/69/61/78/1373696178.db2.gz WNPTWIAOUPZNIO-NRFANRHFSA-N 1 0 349.434 3.109 20 5 EGBDRO CC1(CC(=O)NCC2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC001223854870 1375045888 /nfs/dbraw/zinc/04/58/88/1375045888.db2.gz QLJUECMAQQPOOB-UHFFFAOYSA-N 1 0 345.443 3.113 20 5 EGBDRO O=[N+]([O-])c1cccc(OC[C@@H]2CN(Cc3ccccc3)CCO2)c1F ZINC001225794676 1375156894 /nfs/dbraw/zinc/15/68/94/1375156894.db2.gz WQYJAQZJBDALSV-HNNXBMFYSA-N 1 0 346.358 3.014 20 5 EGBDRO C[C@H](c1ccccn1)[N@@H+]1CC[C@@H](Oc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001225906457 1375172691 /nfs/dbraw/zinc/17/26/91/1375172691.db2.gz BDZUDXORRLMVEL-TZMCWYRMSA-N 1 0 331.347 3.343 20 5 EGBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Oc1ncc(F)cc1[N+](=O)[O-] ZINC001226752075 1375324673 /nfs/dbraw/zinc/32/46/73/1375324673.db2.gz XITBECRISSHZJD-CXAGYDPISA-N 1 0 345.374 3.418 20 5 EGBDRO Cc1ccc(N2CCC(Oc3ncc([N+](=O)[O-])cc3C)CC2)nc1 ZINC001226763853 1375328299 /nfs/dbraw/zinc/32/82/99/1375328299.db2.gz CNUBYXRYNZCMQH-UHFFFAOYSA-N 1 0 328.372 3.049 20 5 EGBDRO C[NH+](C)C1CCC(Oc2nc(C(F)(F)F)ccc2[N+](=O)[O-])CC1 ZINC001227246447 1375411865 /nfs/dbraw/zinc/41/18/65/1375411865.db2.gz HCURVIHTSHRCLE-UHFFFAOYSA-N 1 0 333.310 3.260 20 5 EGBDRO CCOC(=O)c1ccc(O[C@H]2CC[C@H]([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC001227297641 1375417276 /nfs/dbraw/zinc/41/72/76/1375417276.db2.gz WAXZIECEUHCPIT-HDJSIYSDSA-N 1 0 336.388 3.023 20 5 EGBDRO C=C/C(C)=C\CC(=O)NC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001228701864 1375645061 /nfs/dbraw/zinc/64/50/61/1375645061.db2.gz GNLLQKTVIJAYAB-NVNXTCNLSA-N 1 0 343.427 3.198 20 5 EGBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Oc1cnccc1[N+](=O)[O-] ZINC001228880943 1375704876 /nfs/dbraw/zinc/70/48/76/1375704876.db2.gz BEDSTUUELOUQSZ-PBHICJAKSA-N 1 0 327.384 3.279 20 5 EGBDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2Oc1nccc2ccc([N+](=O)[O-])cc21 ZINC001229009074 1375735670 /nfs/dbraw/zinc/73/56/70/1375735670.db2.gz RNMCGTDRSNWRIQ-XOIINTDNSA-N 1 0 327.384 3.252 20 5 EGBDRO CO[C@@H]1CC[N@H+](CCOc2cccc(-c3cccc([N+](=O)[O-])c3)c2)C1 ZINC001230938638 1376183501 /nfs/dbraw/zinc/18/35/01/1376183501.db2.gz AXBOQJSCCWRTHG-LJQANCHMSA-N 1 0 342.395 3.361 20 5 EGBDRO CCC1(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)CCCCC1 ZINC001152053990 1379853085 /nfs/dbraw/zinc/85/30/85/1379853085.db2.gz KQVALDFMSZGPML-UHFFFAOYSA-N 1 0 333.432 3.161 20 5 EGBDRO [NH3+]Cc1ncccc1NC(=O)c1ccc2oc3ccccc3c(=O)c2c1 ZINC001153426803 1380075294 /nfs/dbraw/zinc/07/52/94/1380075294.db2.gz HRNPUUFLNMRLME-UHFFFAOYSA-N 1 0 345.358 3.052 20 5 EGBDRO [NH3+][C@@H]1CCC[C@@H](Nc2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)nn2)C1 ZINC001154990256 1380386323 /nfs/dbraw/zinc/38/63/23/1380386323.db2.gz ZGQFMHWTVWXNFW-VXGBXAGGSA-N 1 0 347.806 3.387 20 5 EGBDRO C[C@H]1C[NH2+]CCC[C@@H]1CNc1nc(Cl)c(Cl)cc1[N+](=O)[O-] ZINC001155025707 1380393950 /nfs/dbraw/zinc/39/39/50/1380393950.db2.gz PZOVCSAHWAXNTH-DTWKUNHWSA-N 1 0 333.219 3.344 20 5 EGBDRO O=[N+]([O-])c1ccc(-n2cncc2C2CC[NH2+]CC2)nc1-c1ccccc1 ZINC001155062527 1380401038 /nfs/dbraw/zinc/40/10/38/1380401038.db2.gz FCDGEIWREIABAO-UHFFFAOYSA-N 1 0 349.394 3.310 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)c(Cl)nc1NC[C@]1(F)CCCC[NH2+]C1 ZINC001155115697 1380411648 /nfs/dbraw/zinc/41/16/48/1380411648.db2.gz SVBQDHQKIGLWRH-LBPRGKRZSA-N 1 0 337.182 3.190 20 5 EGBDRO Cc1cc(Cl)nc(NCc2ccc3c(c2)CC[NH2+]C3)c1[N+](=O)[O-] ZINC001155267430 1380431081 /nfs/dbraw/zinc/43/10/81/1380431081.db2.gz DFYZMFVDBYTCKE-UHFFFAOYSA-N 1 0 332.791 3.209 20 5 EGBDRO Cc1c(C)n(-c2ccc3[nH]cc([N+](=O)[O-])c3n2)c2ccc(C[NH3+])cc12 ZINC001155901206 1380504159 /nfs/dbraw/zinc/50/41/59/1380504159.db2.gz AEUXMYDUJCVGQV-UHFFFAOYSA-N 1 0 335.367 3.491 20 5 EGBDRO COc1cc(C)nc(-n2c(C[NH3+])cc3cc(Cl)ccc32)c1[N+](=O)[O-] ZINC001155993684 1380511031 /nfs/dbraw/zinc/51/10/31/1380511031.db2.gz ZJONILXDZDPWHI-UHFFFAOYSA-N 1 0 346.774 3.363 20 5 EGBDRO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1N(C)c1cccc([N+](=O)[O-])n1 ZINC001156333215 1380560651 /nfs/dbraw/zinc/56/06/51/1380560651.db2.gz XJQXWVUPGXHXEV-RDJZCZTQSA-N 1 0 340.427 3.337 20 5 EGBDRO C[N@@H+]1CCC[C@@H](CCNc2ccc(-c3ccc([N+](=O)[O-])cc3)nn2)C1 ZINC001156390561 1380570099 /nfs/dbraw/zinc/57/00/99/1380570099.db2.gz YMRWVHFWOYAKMQ-AWEZNQCLSA-N 1 0 341.415 3.196 20 5 EGBDRO CC1(C)CC([NH3+])CC(C)(C)N1c1nc(Cl)nc(Cl)c1[N+](=O)[O-] ZINC001156771288 1380631345 /nfs/dbraw/zinc/63/13/45/1380631345.db2.gz QLHBMPWQVUVURI-UHFFFAOYSA-N 1 0 348.234 3.176 20 5 EGBDRO C[N@H+](Cc1ccc(F)cc1)C1CCN(c2cccc([N+](=O)[O-])n2)CC1 ZINC001157066785 1380766907 /nfs/dbraw/zinc/76/69/07/1380766907.db2.gz LSGSGHVEAPTNBK-UHFFFAOYSA-N 1 0 344.390 3.230 20 5 EGBDRO Cc1cc([N+](=O)[O-])cnc1N(Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC001157426355 1380883108 /nfs/dbraw/zinc/88/31/08/1380883108.db2.gz PQQAIWOTHFVXNL-MRXNPFEDSA-N 1 0 326.400 3.057 20 5 EGBDRO CN(CC[N@H+](C)Cc1ccccc1)c1cc(Cl)cc([N+](=O)[O-])n1 ZINC001157554537 1380963995 /nfs/dbraw/zinc/96/39/95/1380963995.db2.gz RMZHDIBOHAHGJK-UHFFFAOYSA-N 1 0 334.807 3.211 20 5 EGBDRO [NH3+]C[C@@]1(F)CCN(c2ccc3ccc4ccc(Cl)nc4c3n2)C1 ZINC001157814007 1381041602 /nfs/dbraw/zinc/04/16/02/1381041602.db2.gz VIHHVBUVOQJNJR-KRWDZBQOSA-N 1 0 330.794 3.314 20 5 EGBDRO C[N@@H+]1CCN(c2nccc3ccc([N+](=O)[O-])cc32)C2(CCCC2)C1 ZINC001158409938 1381235448 /nfs/dbraw/zinc/23/54/48/1381235448.db2.gz GKOGRVSOKMJOAW-UHFFFAOYSA-N 1 0 326.400 3.208 20 5 EGBDRO CC(C)[N@@H+]1CCN(c2cc([N+](=O)[O-])cc3c(Cl)ncnc32)C[C@@H]1C ZINC001158501091 1381269697 /nfs/dbraw/zinc/26/96/97/1381269697.db2.gz KGDFRXJYWRYDTK-NSHDSACASA-N 1 0 349.822 3.110 20 5 EGBDRO Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1nc(Cl)ncc1[N+](=O)[O-] ZINC001158729918 1381372560 /nfs/dbraw/zinc/37/25/60/1381372560.db2.gz PRIMDXCASURXJL-LLVKDONJSA-N 1 0 333.779 3.278 20 5 EGBDRO O=[N+]([O-])/C=C/c1ccc(Nc2ccc(N3CC[NH2+]CC3)c(F)c2)cc1 ZINC001159535521 1381819985 /nfs/dbraw/zinc/81/99/85/1381819985.db2.gz KFWPZYMXFNNEEV-JXMROGBWSA-N 1 0 342.374 3.226 20 5 EGBDRO O=[N+]([O-])c1ccc(Nc2ccc(CN3CC[NH2+]CC3)cc2)c(Cl)c1 ZINC001159571555 1381833677 /nfs/dbraw/zinc/83/36/77/1381833677.db2.gz PBOUJUWAOKOLSR-UHFFFAOYSA-N 1 0 346.818 3.397 20 5 EGBDRO Cc1ccc(Nc2ccc(CN3CC[NH2+]CC3)cc2)cc1[N+](=O)[O-] ZINC001159571732 1381833775 /nfs/dbraw/zinc/83/37/75/1381833775.db2.gz TXYZYGWYGSGXSW-UHFFFAOYSA-N 1 0 326.400 3.052 20 5 EGBDRO C/C=C(/C)C(=O)NCCC1=CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001159754051 1381890541 /nfs/dbraw/zinc/89/05/41/1381890541.db2.gz YAOAONOBTARKKV-CQPUUCJISA-N 1 0 343.427 3.199 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1Nc1ccccc1OC1CC[NH2+]CC1 ZINC001159806044 1381906659 /nfs/dbraw/zinc/90/66/59/1381906659.db2.gz VJISETXBHGBZFR-UHFFFAOYSA-N 1 0 343.383 3.478 20 5 EGBDRO Nc1ccccc1N(CC1CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1F ZINC001159894409 1381931270 /nfs/dbraw/zinc/93/12/70/1381931270.db2.gz ACHSDZHHCBGYGR-UHFFFAOYSA-N 1 0 344.390 3.454 20 5 EGBDRO COc1ccc(Nc2ccc(O[C@@H]3CC[NH2+]C3)cc2)c([N+](=O)[O-])c1 ZINC001159920644 1381937610 /nfs/dbraw/zinc/93/76/10/1381937610.db2.gz LWWRAHZPWDJWHK-OAHLLOKOSA-N 1 0 329.356 3.088 20 5 EGBDRO [NH3+][C@H]1CCc2c3ccccc3n(-c3cc(Cl)cc([N+](=O)[O-])n3)c2C1 ZINC001159948666 1381946492 /nfs/dbraw/zinc/94/64/92/1381946492.db2.gz XDBGDLRVJSNYEB-NSHDSACASA-N 1 0 342.786 3.403 20 5 EGBDRO [NH3+][C@@H]1CCCN(c2ccc(Nc3ccc(F)cc3[N+](=O)[O-])cc2)C1 ZINC001159986269 1381959377 /nfs/dbraw/zinc/95/93/77/1381959377.db2.gz HSFNVTWTSKQYAI-CYBMUJFWSA-N 1 0 330.363 3.405 20 5 EGBDRO Nc1c(F)cccc1N(c1cc([N+](=O)[O-])ccc1F)C1CC[NH2+]CC1 ZINC001160065177 1381987414 /nfs/dbraw/zinc/98/74/14/1381987414.db2.gz DCCSBFGHXPXUMQ-UHFFFAOYSA-N 1 0 348.353 3.345 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1Nc1c(F)cccc1N1CC[C@@H]([NH3+])C1 ZINC001160070997 1381989530 /nfs/dbraw/zinc/98/95/30/1381989530.db2.gz QLZRZNGTAGSCEW-GFCCVEGCSA-N 1 0 330.363 3.323 20 5 EGBDRO COc1ccc(Nc2cccc(F)c2O[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC001160182272 1382026848 /nfs/dbraw/zinc/02/68/48/1382026848.db2.gz XGAHPOVKAICTCB-GFCCVEGCSA-N 1 0 347.346 3.227 20 5 EGBDRO [NH3+]Cc1ccc(Nc2ncc([N+](=O)[O-])cc2F)c(C(F)(F)F)c1 ZINC001160420067 1382099922 /nfs/dbraw/zinc/09/99/22/1382099922.db2.gz YAICXZFZVLYZLZ-UHFFFAOYSA-N 1 0 330.241 3.350 20 5 EGBDRO CC(C)Oc1nc(N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)ccc1[N+](=O)[O-] ZINC001160475891 1382117748 /nfs/dbraw/zinc/11/77/48/1382117748.db2.gz NIXVEFKHHNROHP-ZSOGYDGISA-N 1 0 334.420 3.204 20 5 EGBDRO O=[N+]([O-])c1cccc2nc(N[C@@H]3CC[NH2+]C[C@H]3C(F)(F)F)ccc21 ZINC001160736372 1382181622 /nfs/dbraw/zinc/18/16/22/1382181622.db2.gz CJJBFTNOBBCURW-ZYHUDNBSSA-N 1 0 340.305 3.095 20 5 EGBDRO O=[N+]([O-])c1ccc2ccnc(N[C@@H]3CC[NH2+]C[C@@H]3C(F)(F)F)c2c1 ZINC001160745329 1382184966 /nfs/dbraw/zinc/18/49/66/1382184966.db2.gz WCDPGQVYQFWEFK-QWHCGFSZSA-N 1 0 340.305 3.095 20 5 EGBDRO COc1cccc2c1c(C[NH3+])cn2-c1nccc(Cl)c1[N+](=O)[O-] ZINC001160760298 1382189457 /nfs/dbraw/zinc/18/94/57/1382189457.db2.gz VUFTXCZYNPKZBT-UHFFFAOYSA-N 1 0 332.747 3.054 20 5 EGBDRO CC(C)(C[NH3+])c1cn(-c2ncc([N+](=O)[O-])cc2F)c2ccccc12 ZINC001160843158 1382214511 /nfs/dbraw/zinc/21/45/11/1382214511.db2.gz QQSTZOCDNCYWMY-UHFFFAOYSA-N 1 0 328.347 3.309 20 5 EGBDRO [NH3+][C@H]1CC[C@H](N(c2ccc3ccc4cccnc4c3n2)C2COC2)CC1 ZINC001161276761 1382358569 /nfs/dbraw/zinc/35/85/69/1382358569.db2.gz IQMLCBYUZCZRAG-QAQDUYKDSA-N 1 0 348.450 3.258 20 5 EGBDRO CCc1ccc(C(=O)NCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)s1 ZINC001161985687 1382588871 /nfs/dbraw/zinc/58/88/71/1382588871.db2.gz BZUPJHDIIXTNON-UHFFFAOYSA-N 1 0 347.440 3.128 20 5 EGBDRO CCOC(=O)c1c(C[NH3+])ncn1-c1nc2ccccc2c2ccccc21 ZINC001162540800 1382784617 /nfs/dbraw/zinc/78/46/17/1382784617.db2.gz IFTRAZZEJUNYHL-UHFFFAOYSA-N 1 0 346.390 3.209 20 5 EGBDRO [NH3+]Cc1cccc(-c2cncn2-c2ccc3c(cccc3[N+](=O)[O-])n2)c1 ZINC001162563986 1382791714 /nfs/dbraw/zinc/79/17/14/1382791714.db2.gz QZIQYKTWUVLHHA-UHFFFAOYSA-N 1 0 345.362 3.454 20 5 EGBDRO [NH3+]CCc1cn(-c2ncc(F)cc2[N+](=O)[O-])c2cccc(Cl)c12 ZINC001162653653 1382822124 /nfs/dbraw/zinc/82/21/24/1382822124.db2.gz BZERAVJSUCYJKC-UHFFFAOYSA-N 1 0 334.738 3.227 20 5 EGBDRO O=[N+]([O-])c1cc(NCc2ccc3c(c2)CC[NH2+]C3)cc2cccnc21 ZINC001162810424 1382880956 /nfs/dbraw/zinc/88/09/56/1382880956.db2.gz TXDIJIOEQMEMJK-UHFFFAOYSA-N 1 0 334.379 3.401 20 5 EGBDRO [NH3+][C@H]1Cc2ccccc2N(c2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC001162849101 1382894357 /nfs/dbraw/zinc/89/43/57/1382894357.db2.gz KJARWZDPSKOGMB-JTQLQIEISA-N 1 0 338.289 3.030 20 5 EGBDRO O=[N+]([O-])c1cc(N[C@@H]2CCO[C@@]3(CC[NH2+]C3)C2)cc2ccccc21 ZINC001163332088 1383024226 /nfs/dbraw/zinc/02/42/26/1383024226.db2.gz HNXFOFXFAGXSFD-KDOFPFPSSA-N 1 0 327.384 3.071 20 5 EGBDRO CC(C)[N@@H+]1CC[C@H](Nc2ncnc3cccc([N+](=O)[O-])c32)[C@@H](C)C1 ZINC001163371464 1383035711 /nfs/dbraw/zinc/03/57/11/1383035711.db2.gz QULLNJYYUXZMQK-STQMWFEESA-N 1 0 329.404 3.069 20 5 EGBDRO CNc1cc([N+](=O)[O-])cnc1-n1c(C[NH3+])cc2cc(Cl)ccc21 ZINC001163898475 1383133992 /nfs/dbraw/zinc/13/39/92/1383133992.db2.gz YUJUYJRURFFSPX-UHFFFAOYSA-N 1 0 331.763 3.088 20 5 EGBDRO CN(C)c1ccc(NCc2cccc(C[NH+](C)C)c2)c([N+](=O)[O-])c1 ZINC001163999178 1383144897 /nfs/dbraw/zinc/14/48/97/1383144897.db2.gz PQFNZQVDKUJMNS-UHFFFAOYSA-N 1 0 328.416 3.335 20 5 EGBDRO CC(C)N(CCC[NH3+])c1ccc(C(=O)OC(C)(C)C)c([N+](=O)[O-])c1 ZINC001164126715 1383159020 /nfs/dbraw/zinc/15/90/20/1383159020.db2.gz GTFSTVGUFZLEKY-UHFFFAOYSA-N 1 0 337.420 3.114 20 5 EGBDRO Cc1c(C)c(N2CCC(C3CC[NH+](C)CC3)CC2)ncc1[N+](=O)[O-] ZINC001165065999 1383220431 /nfs/dbraw/zinc/22/04/31/1383220431.db2.gz RYWIIOCNIUOTMQ-UHFFFAOYSA-N 1 0 332.448 3.165 20 5 EGBDRO CC(C)[N@@H+]1CCN(c2cc3ncnc(Cl)c3cc2[N+](=O)[O-])C[C@H]1C ZINC001165199477 1383245871 /nfs/dbraw/zinc/24/58/71/1383245871.db2.gz XEYDUKXRDJRKAJ-LLVKDONJSA-N 1 0 349.822 3.110 20 5 EGBDRO Cc1cc(N2CCC([C@H]3CCC[NH2+]3)CC2)nc2ccc([N+](=O)[O-])cc12 ZINC001166900836 1383496883 /nfs/dbraw/zinc/49/68/83/1383496883.db2.gz TXVVJVROJXXVPP-QGZVFWFLSA-N 1 0 340.427 3.420 20 5 EGBDRO O=[N+]([O-])c1c(Cl)cc(Cl)nc1N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC001166903154 1383496895 /nfs/dbraw/zinc/49/68/95/1383496895.db2.gz NDSWITDWDWWNLE-LLVKDONJSA-N 1 0 345.230 3.265 20 5 EGBDRO O=[N+]([O-])c1cnc(Cl)cc1-n1c2ccc(F)cc2c2c1CC[NH2+]C2 ZINC001167083911 1383536145 /nfs/dbraw/zinc/53/61/45/1383536145.db2.gz DJIJZLPCIPGNBC-UHFFFAOYSA-N 1 0 346.749 3.372 20 5 EGBDRO C[NH2+]Cc1cn(-c2nc(Cl)nc(C)c2[N+](=O)[O-])c2ccc(C)cc12 ZINC001167121295 1383544933 /nfs/dbraw/zinc/54/49/33/1383544933.db2.gz IWGVRJYANLESSP-UHFFFAOYSA-N 1 0 345.790 3.318 20 5 EGBDRO C[NH2+]CCNc1nc2ccsc2c(Oc2cccc([N+](=O)[O-])c2)n1 ZINC001167722100 1383722508 /nfs/dbraw/zinc/72/25/08/1383722508.db2.gz YRTOWYPGTODOPR-UHFFFAOYSA-N 1 0 345.384 3.023 20 5 EGBDRO CCCC[NH+](CCCC)CCNc1c[n+]([O-])c(Cl)cc1[N+](=O)[O-] ZINC001167732103 1383724686 /nfs/dbraw/zinc/72/46/86/1383724686.db2.gz MRUSSDFJRZYLQG-UHFFFAOYSA-N 1 0 344.843 3.196 20 5 EGBDRO CC(=O)Nc1ccc(NCCC[N@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC001167752036 1383731049 /nfs/dbraw/zinc/73/10/49/1383731049.db2.gz BNYYAXBLMAZPIT-ZDUSSCGKSA-N 1 0 334.420 3.230 20 5 EGBDRO C[C@@H]1CCCC[N@@H+]1CCCNc1ccc2nsnc2c1[N+](=O)[O-] ZINC001167754553 1383732303 /nfs/dbraw/zinc/73/23/03/1383732303.db2.gz ZEKISDLDMVMCHU-LLVKDONJSA-N 1 0 335.433 3.276 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2cc(F)ccc2OC(F)(F)F)C1 ZINC001168960154 1384071721 /nfs/dbraw/zinc/07/17/21/1384071721.db2.gz ZVTMPRORCGXFMM-JOYOIKCWSA-N 1 0 336.285 3.259 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CCc2ccc(Br)cc2)C1 ZINC001168965104 1384072634 /nfs/dbraw/zinc/07/26/34/1384072634.db2.gz YDQNRTBZRBMKQV-JSGCOSHPSA-N 1 0 327.222 3.027 20 5 EGBDRO C[C@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)C(=O)Nc1ccc2ccccc2c1 ZINC001168978170 1384076732 /nfs/dbraw/zinc/07/67/32/1384076732.db2.gz PFKYPIFCATWAJJ-ZQIUZPCESA-N 1 0 341.411 3.202 20 5 EGBDRO Cc1cc(F)cc(CN2CCC([NH2+][C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)c1 ZINC001168992961 1384081149 /nfs/dbraw/zinc/08/11/49/1384081149.db2.gz LSOCDLVHHBRXGX-KXBFYZLASA-N 1 0 349.450 3.134 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2csc(-c3cccc(F)c3)n2)C1 ZINC001169003593 1384085404 /nfs/dbraw/zinc/08/54/04/1384085404.db2.gz OMRQVGAUNQYDFR-FZMZJTMJSA-N 1 0 335.404 3.484 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCC[C@@]3(C[C@@H](c4ccccc4)CO3)C2)C1 ZINC001169021744 1384091763 /nfs/dbraw/zinc/09/17/63/1384091763.db2.gz PYQSOAAUKZYVBH-RSPOEFSDSA-N 1 0 344.455 3.471 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2C[C@H]3CCC[C@@]3(COc3ccccn3)C2)C1 ZINC001169023473 1384092681 /nfs/dbraw/zinc/09/26/81/1384092681.db2.gz UMZZCQYLYUMAOV-MTNOOBJLSA-N 1 0 345.443 3.008 20 5 EGBDRO COC(=O)c1ccc(C2CC[NH+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)cc1 ZINC001169035246 1384095073 /nfs/dbraw/zinc/09/50/73/1384095073.db2.gz JQKWNHNHMDHPKU-KDOFPFPSSA-N 1 0 346.427 3.098 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@H](n2c3ccccc3nc2[C@@H]2CCCC[NH2+]2)C1 ZINC001169036155 1384096308 /nfs/dbraw/zinc/09/63/08/1384096308.db2.gz FMTMIDTVQQOVOA-YCPHGPKFSA-N 1 0 328.416 3.469 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@H+](CCCCCCO)Cc2ccccc2)C1 ZINC001169046946 1384100333 /nfs/dbraw/zinc/10/03/33/1384100333.db2.gz PBJBARTXAHAGHB-OALUTQOASA-N 1 0 334.460 3.487 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+]CCc2cccc(O)c2)c([N+](=O)[O-])c1 ZINC001170295192 1384284651 /nfs/dbraw/zinc/28/46/51/1384284651.db2.gz AVLCCYXYAHBVJX-ZDUSSCGKSA-N 1 0 330.384 3.072 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2cnccc2Cl)c([N+](=O)[O-])c1 ZINC001170300090 1384285222 /nfs/dbraw/zinc/28/52/22/1384285222.db2.gz WULVWEFPRSGHTJ-LLVKDONJSA-N 1 0 335.791 3.373 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+]C[C@H]2Cc3ccccc3O2)c([N+](=O)[O-])c1 ZINC001170298025 1384285467 /nfs/dbraw/zinc/28/54/67/1384285467.db2.gz YKMMWPAMMNEQCL-SUMWQHHRSA-N 1 0 342.395 3.128 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+]C(C)(C)c2ccncc2)c([N+](=O)[O-])c1 ZINC001170317966 1384290116 /nfs/dbraw/zinc/29/01/16/1384290116.db2.gz NCMMEFXGYAQCSR-CYBMUJFWSA-N 1 0 329.400 3.454 20 5 EGBDRO COc1ccc(C[C@H](C)n2cnc3cccc(C[NH3+])c32)c([N+](=O)[O-])c1 ZINC001170317427 1384290207 /nfs/dbraw/zinc/29/02/07/1384290207.db2.gz IILUQKNLOMDEIO-LBPRGKRZSA-N 1 0 340.383 3.216 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+][C@H](C)c2cncc(F)c2)c([N+](=O)[O-])c1 ZINC001170327442 1384292102 /nfs/dbraw/zinc/29/21/02/1384292102.db2.gz RABPBCPGIAHNBH-NWDGAFQWSA-N 1 0 333.363 3.419 20 5 EGBDRO COc1ccc(C[C@@H](C)[N@@H+]2CC[C@H]3O[C@@H](C)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC001170336363 1384294372 /nfs/dbraw/zinc/29/43/72/1384294372.db2.gz WZLXLUZGIXNZKK-VAGZCVSGSA-N 1 0 334.416 3.034 20 5 EGBDRO COCC[C@@H]1CCCC[N@@H+]1[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170345725 1384296085 /nfs/dbraw/zinc/29/60/85/1384296085.db2.gz LDVMSTBOYGFUIF-HOCLYGCPSA-N 1 0 336.432 3.425 20 5 EGBDRO COc1ccc(C[C@H](C)N2CCC[C@@H]2C[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC001170348318 1384297486 /nfs/dbraw/zinc/29/74/86/1384297486.db2.gz WUJVJHNHRWVDFF-DOTOQJQBSA-N 1 0 347.459 3.095 20 5 EGBDRO COc1ccc(C[C@@H](C)[N@@H+]2CCc3ncc(C)cc3C2)c([N+](=O)[O-])c1 ZINC001170354395 1384299139 /nfs/dbraw/zinc/29/91/39/1384299139.db2.gz KPVOLCHMETYAQZ-CQSZACIVSA-N 1 0 341.411 3.296 20 5 EGBDRO CN(CC[NH3+])CCNc1cnc2c3ccccc3c3ccccc3c2n1 ZINC001170498683 1384329952 /nfs/dbraw/zinc/32/99/52/1384329952.db2.gz XYODYKZBCRACKF-UHFFFAOYSA-N 1 0 345.450 3.239 20 5 EGBDRO COc1cccc(N(CC[NH3+])C23CC4CC(CC(C4)C2)C3)c1[N+](=O)[O-] ZINC001170627452 1384353126 /nfs/dbraw/zinc/35/31/26/1384353126.db2.gz SBSBSGGEFUIDLK-UHFFFAOYSA-N 1 0 345.443 3.337 20 5 EGBDRO Cc1cnc(N[C@@H](Cc2ccccc2)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC001170751218 1384377892 /nfs/dbraw/zinc/37/78/92/1384377892.db2.gz ADDYXVDUTXCXIN-KRWDZBQOSA-N 1 0 340.427 3.417 20 5 EGBDRO [NH3+][C@@H]1CCc2c3ccccc3n(-c3cnc(Cl)cc3[N+](=O)[O-])c2C1 ZINC001171096923 1384445333 /nfs/dbraw/zinc/44/53/33/1384445333.db2.gz SXWYEWOMLLGKDB-SNVBAGLBSA-N 1 0 342.786 3.403 20 5 EGBDRO CCC[NH+]1CCC([NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172898113 1384873631 /nfs/dbraw/zinc/87/36/31/1384873631.db2.gz GPKNFZYYKNBLKE-KRWDZBQOSA-N 1 0 331.460 3.306 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@H]1COc3ccccc3C1)CC2 ZINC001172895293 1384873880 /nfs/dbraw/zinc/87/38/80/1384873880.db2.gz BSSVWGGBOGHXEH-ZWKOTPCHSA-N 1 0 338.407 3.436 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]Cc1ncc(Cl)cn1)CC2 ZINC001172901226 1384874243 /nfs/dbraw/zinc/87/42/43/1384874243.db2.gz LLVVYPLIUWBWAB-AWEZNQCLSA-N 1 0 332.791 3.075 20 5 EGBDRO [NH3+]C[C@@H]1CN([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)c2ccccc21 ZINC001172903624 1384874875 /nfs/dbraw/zinc/87/48/75/1384874875.db2.gz RWUCTMMURUNWGG-SJORKVTESA-N 1 0 337.423 3.405 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]Cc1ccc3nccn3c1)CC2 ZINC001172907466 1384875376 /nfs/dbraw/zinc/87/53/76/1384875376.db2.gz FFZGOKLOZGFWSW-QGZVFWFLSA-N 1 0 336.395 3.280 20 5 EGBDRO C[N@H+](CC(=O)OC(C)(C)C)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172905785 1384875536 /nfs/dbraw/zinc/87/55/36/1384875536.db2.gz UIJOSXSSHVYWDX-HNNXBMFYSA-N 1 0 334.416 3.116 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1CCCC[C@](O)(CF)C1)CC2 ZINC001172909688 1384876044 /nfs/dbraw/zinc/87/60/44/1384876044.db2.gz UXDRVWJQSLQTHH-WMZOPIPTSA-N 1 0 336.407 3.029 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1CCC[C@](O)(CF)CC1)CC2 ZINC001172908826 1384876343 /nfs/dbraw/zinc/87/63/43/1384876343.db2.gz OUJNBLFWNYSYMV-FUHWJXTLSA-N 1 0 336.407 3.029 20 5 EGBDRO O=c1[nH]ccc2c1CC[N@@H+]([C@@H]1CCc3ccc([N+](=O)[O-])cc3CC1)C2 ZINC001172921781 1384879749 /nfs/dbraw/zinc/87/97/49/1384879749.db2.gz SZDRTBVPOGRTOW-MRXNPFEDSA-N 1 0 339.395 3.001 20 5 EGBDRO O=C1CC[C@]2(CCC[N@@H+]([C@@H]3CCc4ccc([N+](=O)[O-])cc4CC3)C2)O1 ZINC001172921310 1384879942 /nfs/dbraw/zinc/87/99/42/1384879942.db2.gz OFVFZZSXMUBSDR-APWZRJJASA-N 1 0 344.411 3.014 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+]2C[C@H]3[C@H](CC3(F)F)C2)c1F ZINC001173183492 1384932447 /nfs/dbraw/zinc/93/24/47/1384932447.db2.gz ZABINCWMXAJWAL-UMNHJUIQSA-N 1 0 344.333 3.261 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@H](C)c2nccs2)c1F ZINC001173182898 1384932696 /nfs/dbraw/zinc/93/26/96/1384932696.db2.gz VHGWNORWOZDWEP-NXEZZACHSA-N 1 0 339.392 3.481 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CCc2ccccc2O)c1F ZINC001173190696 1384933234 /nfs/dbraw/zinc/93/32/34/1384933234.db2.gz GYUMREWJCRUWHS-LBPRGKRZSA-N 1 0 348.374 3.211 20 5 EGBDRO CC[N@H+]([C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-])C1CCOCC1 ZINC001173189173 1384933363 /nfs/dbraw/zinc/93/33/63/1384933363.db2.gz IYHBAFHLDJWVBC-LBPRGKRZSA-N 1 0 340.395 3.174 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C2(c3cccnc3)CC2)c1F ZINC001173190826 1384933727 /nfs/dbraw/zinc/93/37/27/1384933727.db2.gz HOFDZIPHCKSMGX-GFCCVEGCSA-N 1 0 345.374 3.347 20 5 EGBDRO COC(=O)C12CCC([NH2+][C@@H](C)Cc3ccc([N+](=O)[O-])cc3)(CC1)CC2 ZINC001173209280 1384936164 /nfs/dbraw/zinc/93/61/64/1384936164.db2.gz AYIUOTUAZJCWPK-YCMKEVRSSA-N 1 0 346.427 3.381 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001173211260 1384937081 /nfs/dbraw/zinc/93/70/81/1384937081.db2.gz REDLKYXCAOWJQE-ZFWWWQNUSA-N 1 0 349.431 3.125 20 5 EGBDRO COc1cc(C[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)cc(OC)c1 ZINC001173217588 1384937552 /nfs/dbraw/zinc/93/75/52/1384937552.db2.gz WVEAMLPYYCDJBA-CYBMUJFWSA-N 1 0 330.384 3.333 20 5 EGBDRO COc1cccc(C[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)c1OC ZINC001173217319 1384937677 /nfs/dbraw/zinc/93/76/77/1384937677.db2.gz SZNDGQGQAAWBEX-CYBMUJFWSA-N 1 0 330.384 3.333 20 5 EGBDRO COc1ccc(C[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)cc1OC ZINC001173216612 1384937740 /nfs/dbraw/zinc/93/77/40/1384937740.db2.gz MCZWOUMTDOCQCR-ZDUSSCGKSA-N 1 0 330.384 3.333 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCc2ccc(O)cc2C1 ZINC001173219583 1384938199 /nfs/dbraw/zinc/93/81/99/1384938199.db2.gz OBYIRFHGLFHNBM-DYVFJYSZSA-N 1 0 326.396 3.379 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC001173220436 1384938614 /nfs/dbraw/zinc/93/86/14/1384938614.db2.gz ADKWLXDQNPSQGH-WFASDCNBSA-N 1 0 346.349 3.305 20 5 EGBDRO CCOC(=O)CC1CC[NH+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173223094 1384938875 /nfs/dbraw/zinc/93/88/75/1384938875.db2.gz XNRLGMQUNYDRFJ-CQSZACIVSA-N 1 0 334.416 3.191 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1ccc2c(c1)OCCO2 ZINC001173223960 1384938963 /nfs/dbraw/zinc/93/89/63/1384938963.db2.gz CHYYELDVUGVETN-AWEZNQCLSA-N 1 0 342.395 3.429 20 5 EGBDRO Cc1cccc(N2CC[NH+]([C@H](C)Cc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC001173223911 1384939126 /nfs/dbraw/zinc/93/91/26/1384939126.db2.gz BMBAGQGWEUQZHI-MRXNPFEDSA-N 1 0 340.427 3.051 20 5 EGBDRO COC(=O)Cc1cccc(C[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001173229729 1384940910 /nfs/dbraw/zinc/94/09/10/1384940910.db2.gz PVQVWAQZKYOVGK-AWEZNQCLSA-N 1 0 342.395 3.031 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCc2ccccc2[C@@H]1O ZINC001173234096 1384941266 /nfs/dbraw/zinc/94/12/66/1384941266.db2.gz MMMCOKUCSJYIPR-VMDGZTHMSA-N 1 0 326.396 3.164 20 5 EGBDRO CC(C)CC(=O)N1CCC[N@@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173231854 1384941377 /nfs/dbraw/zinc/94/13/77/1384941377.db2.gz NZTAFTKATBHSHS-INIZCTEOSA-N 1 0 347.459 3.106 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCC(=O)Nc1ccccc1 ZINC001173232886 1384941425 /nfs/dbraw/zinc/94/14/25/1384941425.db2.gz GMEYAVSSNWVKHV-CQSZACIVSA-N 1 0 327.384 3.144 20 5 EGBDRO CCOC(=O)[C@@H]1CCCC[N@@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173232339 1384941698 /nfs/dbraw/zinc/94/16/98/1384941698.db2.gz FHXCXVJSWIIXCZ-GDBMZVCRSA-N 1 0 334.416 3.191 20 5 EGBDRO Cc1cccc(C(=O)NCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)c1C ZINC001175065611 1385188787 /nfs/dbraw/zinc/18/87/87/1385188787.db2.gz XBBSBBUAXBEBEF-UHFFFAOYSA-N 1 0 341.411 3.121 20 5 EGBDRO C[NH+]1CCN(c2cccc(Nc3cc([N+](=O)[O-])ccc3F)c2)CC1 ZINC001175736579 1385389121 /nfs/dbraw/zinc/38/91/21/1385389121.db2.gz AWLYSKDHCUAMHG-UHFFFAOYSA-N 1 0 330.363 3.229 20 5 EGBDRO CC(C)=CC(=O)NCCCCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001177824782 1386057841 /nfs/dbraw/zinc/05/78/41/1386057841.db2.gz TYRRCAQJKLLFKA-UHFFFAOYSA-N 1 0 333.432 3.327 20 5 EGBDRO O=C(NCCCCCC[NH2+]Cc1cccc([N+](=O)[O-])c1)C1CC=CC1 ZINC001178089267 1386126486 /nfs/dbraw/zinc/12/64/86/1386126486.db2.gz LEGGXCDCIJNTGT-UHFFFAOYSA-N 1 0 345.443 3.327 20 5 EGBDRO Cc1ccc(CC2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)cc1 ZINC001320013648 1386452095 /nfs/dbraw/zinc/45/20/95/1386452095.db2.gz LIODOVWERSWXCT-UHFFFAOYSA-N 1 0 328.416 3.054 20 5 EGBDRO CC[NH+](CC)C1CCN(c2cc(OC)c([N+](=O)[O-])cc2F)CC1 ZINC001320037954 1386467675 /nfs/dbraw/zinc/46/76/75/1386467675.db2.gz WCPIANFQHJXCBL-UHFFFAOYSA-N 1 0 325.384 3.053 20 5 EGBDRO Cc1cncc([N+](=O)[O-])c1N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001322464593 1387191472 /nfs/dbraw/zinc/19/14/72/1387191472.db2.gz AOPVKIVUSPTGAV-KRWDZBQOSA-N 1 0 340.427 3.257 20 5 EGBDRO O=[N+]([O-])c1cnc(N2CC[C@@H]([NH+]3CCCCC3)C2)c2ccccc21 ZINC001337324673 1389304724 /nfs/dbraw/zinc/30/47/24/1389304724.db2.gz SQXGOTCPKFUWHM-CQSZACIVSA-N 1 0 326.400 3.208 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(C[NH2+]C[C@H]2C[C@@H](O)C2)o1 ZINC001331297912 1389690926 /nfs/dbraw/zinc/69/09/26/1389690926.db2.gz RCBPKQFMFOEZOK-KLPPZKSPSA-N 1 0 336.775 3.369 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCc2ccccc2C[NH+](C)C)c1C ZINC001331931936 1389916115 /nfs/dbraw/zinc/91/61/15/1389916115.db2.gz SNNGMZXTMMIHEJ-UHFFFAOYSA-N 1 0 341.411 3.203 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)c2ncnc(N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)c2c1 ZINC001333670910 1390370366 /nfs/dbraw/zinc/37/03/66/1390370366.db2.gz ASBAFSPIYNFRKQ-WDEREUQCSA-N 1 0 347.806 3.230 20 5 EGBDRO C[C@H]1C[C@@H](Nc2ncnc3c(Cl)cc([N+](=O)[O-])cc23)C[N@@H+]1C1CC1 ZINC001333707884 1390379415 /nfs/dbraw/zinc/37/94/15/1390379415.db2.gz MUTGLUZGNSJOAA-VHSXEESVSA-N 1 0 347.806 3.229 20 5 EGBDRO COc1c(O)ccc(C[NH2+][C@@H]2C[C@H]2Cc2ccccc2)c1[N+](=O)[O-] ZINC001333743799 1390390342 /nfs/dbraw/zinc/39/03/42/1390390342.db2.gz YKSXJLQNQNEQAU-HUUCEWRRSA-N 1 0 328.368 3.030 20 5 EGBDRO CC(C)(C)[C@H]1CCC[C@@H]1NC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC001340889501 1390397246 /nfs/dbraw/zinc/39/72/46/1390397246.db2.gz SVXSIGXTKVJUAN-RLFYNMQTSA-N 1 0 333.432 3.100 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H]2C[C@@H]2c2nc([C@H]3C[NH+]4CCC3CC4)no2)c1 ZINC001345148143 1390841656 /nfs/dbraw/zinc/84/16/56/1390841656.db2.gz GLWWQXCETLIIRT-JYJNAYRXSA-N 1 0 340.383 3.058 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]Cc2cc(-c3ccccc3)no2)cc1 ZINC001346137276 1390910371 /nfs/dbraw/zinc/91/03/71/1390910371.db2.gz WWSOGXNGZKVELH-GOSISDBHSA-N 1 0 339.351 3.073 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)c2ncnc(NC3CC[NH+](C4CC4)CC3)c2c1 ZINC001347181967 1391020661 /nfs/dbraw/zinc/02/06/61/1391020661.db2.gz SKBYBXJDRMTYNE-UHFFFAOYSA-N 1 0 347.806 3.230 20 5 EGBDRO CC[NH+](CC)CC[C@@H](C)NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC001349880046 1391380009 /nfs/dbraw/zinc/38/00/09/1391380009.db2.gz MUYAMSKHKRYXOB-CQSZACIVSA-N 1 0 335.448 3.109 20 5 EGBDRO C[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)[C@@H]1CCC[NH3+] ZINC001354298343 1392136800 /nfs/dbraw/zinc/13/68/00/1392136800.db2.gz RIRSGLJBNZNOTB-BNEJOLLZSA-N 1 0 345.443 3.064 20 5 EGBDRO CC[N@H+](CCNC(=O)c1ccccc1C)Cc1cccc([N+](=O)[O-])c1 ZINC001753077293 1440291714 /nfs/dbraw/zinc/29/17/14/1440291714.db2.gz OIJAYEDWUNPUIV-UHFFFAOYSA-N 1 0 341.411 3.155 20 5 EGBDRO O=C(NCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)C1CCCCC1 ZINC001753151933 1440328683 /nfs/dbraw/zinc/32/86/83/1440328683.db2.gz RLOWGCJGTKVCMG-UHFFFAOYSA-N 1 0 345.443 3.256 20 5 EGBDRO CC(C)(C)/C=C/C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001755467162 1440858357 /nfs/dbraw/zinc/85/83/57/1440858357.db2.gz NYPRBHPSWVVMKD-WGDNIXBHSA-N 1 0 345.443 3.182 20 5 EGBDRO CCCC(C)(C)C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001755477806 1440859662 /nfs/dbraw/zinc/85/96/62/1440859662.db2.gz FNXNIOLGYUXDNJ-WKILWMFISA-N 1 0 347.459 3.406 20 5 EGBDRO CCOc1nc(N2CCCC[C@H]2CC[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC001165049819 721973418 /nfs/dbraw/zinc/97/34/18/721973418.db2.gz SALNPSSKSNBZNW-HNNXBMFYSA-N 1 0 348.447 3.233 20 5 EGBDRO CC(C)C[C@@H]1CCCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001574168082 950501568 /nfs/dbraw/zinc/50/15/68/950501568.db2.gz OAIZPIGWNMASPJ-HNNXBMFYSA-N 1 0 344.419 3.176 20 5 EGBDRO CN(CC1CC[NH+](C)CC1)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000171563702 529865394 /nfs/dbraw/zinc/86/53/94/529865394.db2.gz QWNLPKCJGVTZNB-UHFFFAOYSA-N 1 0 347.440 3.223 20 5 EGBDRO CCC[NH+]1CCC(N(C)C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000066186123 215021499 /nfs/dbraw/zinc/02/14/99/215021499.db2.gz UWLXFVUTLLLNNU-AWEZNQCLSA-N 1 0 348.447 3.172 20 5 EGBDRO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000104073912 219344611 /nfs/dbraw/zinc/34/46/11/219344611.db2.gz FMCAAYWDDSNNJR-CABCVRRESA-N 1 0 333.432 3.388 20 5 EGBDRO COCCc1nc(C)c([C@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)s1 ZINC000181413220 234176903 /nfs/dbraw/zinc/17/69/03/234176903.db2.gz YAGVERMKMXHEQY-LBPRGKRZSA-N 1 0 349.456 3.442 20 5 EGBDRO Cc1c(C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cccc1[N+](=O)[O-] ZINC000181533834 234221676 /nfs/dbraw/zinc/22/16/76/234221676.db2.gz UMMZPZUASQQBAC-HUUCEWRRSA-N 1 0 345.443 3.286 20 5 EGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](c1nccn1C)C1CC1 ZINC000353874091 295872945 /nfs/dbraw/zinc/87/29/45/295872945.db2.gz XNTWHKXRHPOJSK-SUMWQHHRSA-N 1 0 328.416 3.390 20 5 EGBDRO C[C@@](O)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)c1cccs1 ZINC000183806171 235231149 /nfs/dbraw/zinc/23/11/49/235231149.db2.gz FHIRLMVPNULGDD-CQSZACIVSA-N 1 0 326.805 3.307 20 5 EGBDRO CC(C)COCCC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000236614333 242297681 /nfs/dbraw/zinc/29/76/81/242297681.db2.gz SMKLESLCESUPEG-UHFFFAOYSA-N 1 0 346.431 3.148 20 5 EGBDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000020016784 212093791 /nfs/dbraw/zinc/09/37/91/212093791.db2.gz MHTHOSZRIJIRTC-LBPRGKRZSA-N 1 0 339.823 3.243 20 5 EGBDRO O=[N+]([O-])c1ccc(NCc2ccc(C[NH+]3CCC(O)CC3)cc2)cc1 ZINC000264265402 246261135 /nfs/dbraw/zinc/26/11/35/246261135.db2.gz MRQLFMYIIRLTTB-UHFFFAOYSA-N 1 0 341.411 3.164 20 5 EGBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](C3CC3)CC2)c(Br)c1 ZINC000266121508 248111161 /nfs/dbraw/zinc/11/11/61/248111161.db2.gz WMSHIOPGXHEWNA-UHFFFAOYSA-N 1 0 340.221 3.396 20 5 EGBDRO Cn1cc([C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)c2ccccc2)cn1 ZINC000378646728 169152518 /nfs/dbraw/zinc/15/25/18/169152518.db2.gz HMJWBXJFAUPEFI-LJQANCHMSA-N 1 0 336.395 3.250 20 5 EGBDRO CNC(=O)[C@H](C)C[N@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000093899102 218256012 /nfs/dbraw/zinc/25/60/12/218256012.db2.gz NRCAIUACCOOWCE-GFCCVEGCSA-N 1 0 347.440 3.137 20 5 EGBDRO C[NH+](C)C1(CNC(=O)c2ccc(F)cc2[N+](=O)[O-])CCCCCC1 ZINC000268179570 251697029 /nfs/dbraw/zinc/69/70/29/251697029.db2.gz VQKXQXOMAHEBPC-UHFFFAOYSA-N 1 0 337.395 3.118 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@H]3CC[C@H](CO)CC3)o2)c1 ZINC000153181604 224069813 /nfs/dbraw/zinc/06/98/13/224069813.db2.gz XVHGGQDUAVJBQA-OTVXOJSOSA-N 1 0 330.384 3.496 20 5 EGBDRO CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000268740449 252189736 /nfs/dbraw/zinc/18/97/36/252189736.db2.gz RSPPKBCZJOYOJP-VXGBXAGGSA-N 1 0 347.440 3.499 20 5 EGBDRO Cc1nc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)sc1C ZINC000112532130 220344612 /nfs/dbraw/zinc/34/46/12/220344612.db2.gz PTHMJAHVQPTDMI-WDEREUQCSA-N 1 0 348.428 3.346 20 5 EGBDRO C[NH+](C)CCC1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000153969563 224182718 /nfs/dbraw/zinc/18/27/18/224182718.db2.gz VKFASVSHBLILEA-UHFFFAOYSA-N 1 0 325.840 3.412 20 5 EGBDRO C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1cccc(Cl)c1Cl ZINC000183751821 533407148 /nfs/dbraw/zinc/40/71/48/533407148.db2.gz PQRPUPTXUZZPPL-SECBINFHSA-N 1 0 329.187 3.449 20 5 EGBDRO C[C@@H](CO)C[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000237450562 141002566 /nfs/dbraw/zinc/00/25/66/141002566.db2.gz DZXHONZZMWJJBZ-GFCCVEGCSA-N 1 0 334.347 3.244 20 5 EGBDRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000353348547 141292722 /nfs/dbraw/zinc/29/27/22/141292722.db2.gz HPCBQDZCBUFPHX-DOMZBBRYSA-N 1 0 346.387 3.439 20 5 EGBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H]2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000172481105 144022122 /nfs/dbraw/zinc/02/21/22/144022122.db2.gz ZJJXBOKUTSNGGA-DYEKYZERSA-N 1 0 335.404 3.099 20 5 EGBDRO CN1CCC[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1=O ZINC000344608507 144198286 /nfs/dbraw/zinc/19/82/86/144198286.db2.gz YIWNPSVUOQZQHS-OAHLLOKOSA-N 1 0 345.424 3.034 20 5 EGBDRO COc1ccc(-c2ccc(C[NH2+]Cc3ccn(C)c3)o2)c([N+](=O)[O-])c1 ZINC000344649331 144205148 /nfs/dbraw/zinc/20/51/48/144205148.db2.gz ZKRSCCZXYFBGLU-UHFFFAOYSA-N 1 0 341.367 3.492 20 5 EGBDRO O=[N+]([O-])c1cc(F)c(C[NH2+][C@H]2CCCC[C@@H]2n2cccn2)c(F)c1 ZINC000351815669 144310427 /nfs/dbraw/zinc/31/04/27/144310427.db2.gz NOJYFBKDNQCGNB-HOTGVXAUSA-N 1 0 336.342 3.343 20 5 EGBDRO O=[N+]([O-])c1cc(F)c(C[NH2+][C@@H]2CCCC[C@H]2n2cccn2)c(F)c1 ZINC000351815670 144310453 /nfs/dbraw/zinc/31/04/53/144310453.db2.gz NOJYFBKDNQCGNB-HZPDHXFCSA-N 1 0 336.342 3.343 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])cc1OC ZINC000120078882 286313828 /nfs/dbraw/zinc/31/38/28/286313828.db2.gz DRVOWOGNJPEFLW-CYBMUJFWSA-N 1 0 330.384 3.333 20 5 EGBDRO CC[NH+](CC)CCCCNC(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000188919741 153040329 /nfs/dbraw/zinc/04/03/29/153040329.db2.gz CPDIVPITFGVLJZ-UHFFFAOYSA-N 1 0 339.461 3.169 20 5 EGBDRO C[C@@H]([NH2+][C@@H](C)c1cccnc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000194720681 153352803 /nfs/dbraw/zinc/35/28/03/153352803.db2.gz WCADRRUIFVQYAO-WDEREUQCSA-N 1 0 348.790 3.321 20 5 EGBDRO O=[N+]([O-])c1ccc2nc(N3CCC([C@@H]4CCC[NH2+]4)CC3)ccc2c1 ZINC000261663844 153699190 /nfs/dbraw/zinc/69/91/90/153699190.db2.gz KVCUJMUOWBUPQJ-INIZCTEOSA-N 1 0 326.400 3.111 20 5 EGBDRO Cc1cnc(N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)c([N+](=O)[O-])c1 ZINC000310382807 154143280 /nfs/dbraw/zinc/14/32/80/154143280.db2.gz PSWOTHKOYSNLPG-GOEBONIOSA-N 1 0 326.400 3.373 20 5 EGBDRO Cn1cnc([N+](=O)[O-])c1NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000311147657 154147570 /nfs/dbraw/zinc/14/75/70/154147570.db2.gz MLWYDDFARPRANI-MRXNPFEDSA-N 1 0 343.431 3.043 20 5 EGBDRO COc1cc(C[NH2+][C@H]2CCCC[C@@H]2OC(F)F)c([N+](=O)[O-])cc1F ZINC000337394226 154329825 /nfs/dbraw/zinc/32/98/25/154329825.db2.gz IHMWUXBKOGKVFB-AAEUAGOBSA-N 1 0 348.321 3.383 20 5 EGBDRO CCNC(=O)[C@@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(C)C ZINC000339431100 154853893 /nfs/dbraw/zinc/85/38/93/154853893.db2.gz HXVKXPAAYGNSOD-KRWDZBQOSA-N 1 0 345.399 3.105 20 5 EGBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000339954871 155049261 /nfs/dbraw/zinc/04/92/61/155049261.db2.gz QXFYSOGBDQXEOD-AWEZNQCLSA-N 1 0 348.447 3.021 20 5 EGBDRO CC(C)Oc1ccc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])cc1 ZINC000348902440 156280572 /nfs/dbraw/zinc/28/05/72/156280572.db2.gz CRRJHHSMGLYNEF-UHFFFAOYSA-N 1 0 329.400 3.347 20 5 EGBDRO C[NH+](C)CCN(Cc1cccc([N+](=O)[O-])c1)Cc1ccc(F)c(F)c1 ZINC000349034308 156325499 /nfs/dbraw/zinc/32/54/99/156325499.db2.gz OARJEVKILNWJML-UHFFFAOYSA-N 1 0 349.381 3.437 20 5 EGBDRO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])[C@]12CCCO2 ZINC000368707640 157270361 /nfs/dbraw/zinc/27/03/61/157270361.db2.gz NYZUMQYPYSJUTC-WQANXHIZSA-N 1 0 348.443 3.232 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000372519811 157346479 /nfs/dbraw/zinc/34/64/79/157346479.db2.gz BFSZKGXWTRGABF-HNNXBMFYSA-N 1 0 346.431 3.304 20 5 EGBDRO CCOc1cccc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000093534207 162015611 /nfs/dbraw/zinc/01/56/11/162015611.db2.gz QTKFYMWJKRHAFW-HNNXBMFYSA-N 1 0 342.399 3.075 20 5 EGBDRO Cc1ccc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1F ZINC000093534837 162015718 /nfs/dbraw/zinc/01/57/18/162015718.db2.gz MGMDGRSYVNJOPR-AWEZNQCLSA-N 1 0 330.363 3.124 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@H](C)CCC[C@H]1C ZINC000125165558 162265695 /nfs/dbraw/zinc/26/56/95/162265695.db2.gz CJYNQIOKRWXCHS-CHWSQXEVSA-N 1 0 335.404 3.052 20 5 EGBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)C[C@H](C)c1nccs1 ZINC000248462497 163007680 /nfs/dbraw/zinc/00/76/80/163007680.db2.gz PWYPYCMUNICLJJ-NWDGAFQWSA-N 1 0 348.428 3.114 20 5 EGBDRO CSc1ccc([C@H](C)[NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 ZINC000337228677 163170463 /nfs/dbraw/zinc/17/04/63/163170463.db2.gz TZOOVJPYNOPCRE-NSHDSACASA-N 1 0 345.424 3.266 20 5 EGBDRO CSc1ccc([C@@H](CNc2ncccc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000338835527 163359571 /nfs/dbraw/zinc/35/95/71/163359571.db2.gz HVWAVPATPCYCRR-OAHLLOKOSA-N 1 0 332.429 3.427 20 5 EGBDRO CSc1ccc([C@H](CNc2ccc([N+](=O)[O-])cn2)[NH+](C)C)cc1 ZINC000338836716 163360101 /nfs/dbraw/zinc/36/01/01/163360101.db2.gz MAGWFRNPPLQJCZ-HNNXBMFYSA-N 1 0 332.429 3.427 20 5 EGBDRO CC[NH+](CC)CCOc1ccc(CNc2ccc([N+](=O)[O-])nc2)cc1 ZINC000339003879 163423470 /nfs/dbraw/zinc/42/34/70/163423470.db2.gz RTLKLWCRKJAKPN-UHFFFAOYSA-N 1 0 344.415 3.323 20 5 EGBDRO CC(C)CC1(C)CC[NH+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000343961585 164073598 /nfs/dbraw/zinc/07/35/98/164073598.db2.gz IYTQGHITQQHFML-UHFFFAOYSA-N 1 0 333.432 3.342 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cnc3ccc(Cl)cn23)cc1 ZINC000344228652 164131183 /nfs/dbraw/zinc/13/11/83/164131183.db2.gz WMZNJODRBOLDRT-UHFFFAOYSA-N 1 0 330.775 3.228 20 5 EGBDRO CC1CC[NH+](CCCNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000346125670 164343392 /nfs/dbraw/zinc/34/33/92/164343392.db2.gz ZZHMHSPMLQHBIK-UHFFFAOYSA-N 1 0 339.823 3.100 20 5 EGBDRO C[C@@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C[NH+]1CCCCC1 ZINC000346183837 164358216 /nfs/dbraw/zinc/35/82/16/164358216.db2.gz WIGIFUDRVDMWCH-LBPRGKRZSA-N 1 0 339.823 3.100 20 5 EGBDRO C[C@]1(c2ccccc2)CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000352194386 165279199 /nfs/dbraw/zinc/27/91/99/165279199.db2.gz JJKWTHFJNBOJBW-SFHVURJKSA-N 1 0 328.416 3.235 20 5 EGBDRO O=[N+]([O-])c1ccn(CC[N@@H+](Cc2ccccc2Cl)CC2CC2)n1 ZINC000352251150 165308312 /nfs/dbraw/zinc/30/83/12/165308312.db2.gz ONTZNLADGFXXIM-UHFFFAOYSA-N 1 0 334.807 3.357 20 5 EGBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)[C@H]1OC ZINC000355747171 166296097 /nfs/dbraw/zinc/29/60/97/166296097.db2.gz IARVXZGMSVBRES-KBAYOESNSA-N 1 0 346.383 3.137 20 5 EGBDRO CCn1nc(C)c([N+](=O)[O-])c1NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000358951195 167016912 /nfs/dbraw/zinc/01/69/12/167016912.db2.gz LQYIBUUFJFFIPU-OKILXGFUSA-N 1 0 337.468 3.290 20 5 EGBDRO Cc1ccc(NC(=O)NCCC[NH+]2CCCCCC2)cc1[N+](=O)[O-] ZINC000359419949 167151035 /nfs/dbraw/zinc/15/10/35/167151035.db2.gz HCGMOKBNNMLBOH-UHFFFAOYSA-N 1 0 334.420 3.291 20 5 EGBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCC[N@H+](C)C(C)C ZINC000360932594 167452467 /nfs/dbraw/zinc/45/24/67/167452467.db2.gz WNULACDYWVYTRQ-MRXNPFEDSA-N 1 0 335.448 3.010 20 5 EGBDRO Cc1c(NC(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)cccc1[N+](=O)[O-] ZINC000164610842 226087159 /nfs/dbraw/zinc/08/71/59/226087159.db2.gz CWJSAJJMTSMMNA-CQSZACIVSA-N 1 0 334.420 3.003 20 5 EGBDRO C[C@](O)(C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccccc1 ZINC000169129955 226233924 /nfs/dbraw/zinc/23/39/24/226233924.db2.gz WAIJULKKDGGZSG-ICSRJNTNSA-N 1 0 340.423 3.413 20 5 EGBDRO C[C@H]1C[C@H](Nc2ccc(Br)cc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000122262143 222047268 /nfs/dbraw/zinc/04/72/68/222047268.db2.gz XATJSGDXAADDJU-ONGXEEELSA-N 1 0 340.221 3.394 20 5 EGBDRO C[NH+](C)CCCC1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000125328620 222547687 /nfs/dbraw/zinc/54/76/87/222547687.db2.gz TYDPIQHAVRWLFX-UHFFFAOYSA-N 1 0 334.420 3.181 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCC(c3ccc(O)cc3)CC2)c1 ZINC000269695905 266343736 /nfs/dbraw/zinc/34/37/36/266343736.db2.gz WSNYPHSCIDZVKZ-LJQANCHMSA-N 1 0 342.395 3.213 20 5 EGBDRO CCCC[NH+]1CCC(NC(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000273344806 267023648 /nfs/dbraw/zinc/02/36/48/267023648.db2.gz BHKWHQCMQYOCJB-UHFFFAOYSA-N 1 0 338.383 3.120 20 5 EGBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2c2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000276546964 267570919 /nfs/dbraw/zinc/57/09/19/267570919.db2.gz DVZIVVXPMJNVMA-GDBMZVCRSA-N 1 0 326.400 3.064 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1N1CCC([NH+]3CCCCC3)CC1)CCN2 ZINC000278445074 268014979 /nfs/dbraw/zinc/01/49/79/268014979.db2.gz QZHBBEQETMYLKQ-UHFFFAOYSA-N 1 0 330.432 3.018 20 5 EGBDRO CC[NH+](CC)C[C@@H](C)Nc1ncc([N+](=O)[O-])c(C)c1Br ZINC000165754140 273638039 /nfs/dbraw/zinc/63/80/39/273638039.db2.gz ZCOUFTFDBQOMMM-SECBINFHSA-N 1 0 345.241 3.203 20 5 EGBDRO O=[N+]([O-])c1cc(Br)ccc1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000107829881 275032957 /nfs/dbraw/zinc/03/29/57/275032957.db2.gz LQRCYPRNEWJYQB-NWDGAFQWSA-N 1 0 340.221 3.396 20 5 EGBDRO O=[N+]([O-])c1cccc(C[N@@H+](CCCO)[C@H]2CCc3ccccc32)c1 ZINC000114469738 275039212 /nfs/dbraw/zinc/03/92/12/275039212.db2.gz KQNJYDGFZSXKSH-IBGZPJMESA-N 1 0 326.396 3.467 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(Br)c1 ZINC000090794506 275153318 /nfs/dbraw/zinc/15/33/18/275153318.db2.gz ORFBERCSZLLPDD-GHMZBOCLSA-N 1 0 340.221 3.396 20 5 EGBDRO O=[N+]([O-])c1cccc(F)c1CN1CCC[N@H+](Cc2ccccc2)CC1 ZINC000103465691 275162565 /nfs/dbraw/zinc/16/25/65/275162565.db2.gz XHABZNQCICFCOE-UHFFFAOYSA-N 1 0 343.402 3.442 20 5 EGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCSCCCO ZINC000271068058 275237643 /nfs/dbraw/zinc/23/76/43/275237643.db2.gz DNEFIHFTXXATFN-CYBMUJFWSA-N 1 0 344.502 3.171 20 5 EGBDRO COC[C@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@@H]1CCCO1 ZINC000278660821 275263174 /nfs/dbraw/zinc/26/31/74/275263174.db2.gz NFDOPVUULVLPAE-YJBOKZPZSA-N 1 0 346.383 3.138 20 5 EGBDRO CO[C@@]1(C)CCC[N@@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000279291214 275319819 /nfs/dbraw/zinc/31/98/19/275319819.db2.gz LCPCWRWHVPSSHU-SJCJKPOMSA-N 1 0 346.387 3.207 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000280007932 275389997 /nfs/dbraw/zinc/38/99/97/275389997.db2.gz LQLHELXDUTWVCB-RDTXWAMCSA-N 1 0 341.411 3.324 20 5 EGBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1ccc([N+](=O)[O-])c2cnccc21 ZINC000286255848 275970610 /nfs/dbraw/zinc/97/06/10/275970610.db2.gz GHJNTFXQGWNDGP-KGLIPLIRSA-N 1 0 326.400 3.206 20 5 EGBDRO O=[N+]([O-])c1cc(F)c(CN2CCC[C@H]([NH+]3CCCC3)CC2)c(F)c1 ZINC000286528099 276012323 /nfs/dbraw/zinc/01/23/23/276012323.db2.gz SVIHEOWWHHJHNR-ZDUSSCGKSA-N 1 0 339.386 3.323 20 5 EGBDRO CCC(=O)c1ccc(N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000286562119 276016988 /nfs/dbraw/zinc/01/69/88/276016988.db2.gz WYELFFYGYPEKJQ-ZFWWWQNUSA-N 1 0 331.416 3.251 20 5 EGBDRO CC(C)c1ccc(C[N@@H+]2CC[C@@H](N3CCOCC3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000356258697 276052895 /nfs/dbraw/zinc/05/28/95/276052895.db2.gz LVROGPHDFKTHMB-MAUKXSAKSA-N 1 0 347.459 3.013 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000287160256 276090642 /nfs/dbraw/zinc/09/06/42/276090642.db2.gz MTZMKSYVQAHFPY-HOCLYGCPSA-N 1 0 346.431 3.302 20 5 EGBDRO CC(C)c1ccc(C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)cc1[N+](=O)[O-] ZINC000287315291 276107318 /nfs/dbraw/zinc/10/73/18/276107318.db2.gz UUOAUPNBTZREMU-RHSMWYFYSA-N 1 0 345.443 3.417 20 5 EGBDRO CC[NH+](CC)C[C@H](C)NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000339101251 276108147 /nfs/dbraw/zinc/10/81/47/276108147.db2.gz KBBLEMZXFKOOJD-JTQLQIEISA-N 1 0 328.800 3.100 20 5 EGBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1NCC12CCC[NH+]1CCC2 ZINC000287628243 276141527 /nfs/dbraw/zinc/14/15/27/276141527.db2.gz HBBJWYTURNYILE-UHFFFAOYSA-N 1 0 330.310 3.049 20 5 EGBDRO C[NH+](C)CCCOc1cnccc1CNc1c(F)cccc1[N+](=O)[O-] ZINC000288155391 276186966 /nfs/dbraw/zinc/18/69/66/276186966.db2.gz HCTQSZPMEYPDRY-UHFFFAOYSA-N 1 0 348.378 3.072 20 5 EGBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1ccc(N)cc1[N+](=O)[O-] ZINC000288180035 276188827 /nfs/dbraw/zinc/18/88/27/276188827.db2.gz BNFGZTCJRUJRDG-RHSMWYFYSA-N 1 0 340.427 3.500 20 5 EGBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@H](c3ccncc3)C2)c1 ZINC000289404985 276333883 /nfs/dbraw/zinc/33/38/83/276333883.db2.gz SLMUNEFXINTKRV-INIZCTEOSA-N 1 0 327.384 3.248 20 5 EGBDRO Cc1nnc(CNc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)n1C1CC1 ZINC000289548595 276356332 /nfs/dbraw/zinc/35/63/32/276356332.db2.gz GBZJVFGTNLIWEA-UHFFFAOYSA-N 1 0 338.371 3.298 20 5 EGBDRO C[C@@H](CCCNC(=O)OC(C)(C)C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000289897764 276415150 /nfs/dbraw/zinc/41/51/50/276415150.db2.gz UELSYECYSLCXLG-ZDUSSCGKSA-N 1 0 337.420 3.378 20 5 EGBDRO CC(=O)c1ccc(N2CCCC3(CC[NH+](C)CC3)C2)c([N+](=O)[O-])c1 ZINC000373958673 278246687 /nfs/dbraw/zinc/24/66/87/278246687.db2.gz MKWUIAYBNCIQSY-UHFFFAOYSA-N 1 0 331.416 3.110 20 5 EGBDRO C[C@@H]([NH2+][C@@H](C)C(=O)N1Cc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000359041065 278361547 /nfs/dbraw/zinc/36/15/47/278361547.db2.gz WZCKILURANHKSD-KGLIPLIRSA-N 1 0 339.395 3.176 20 5 EGBDRO CCC[C@H]([NH2+][C@H]1CCO[C@@]2(CCOC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000364297800 278946399 /nfs/dbraw/zinc/94/63/99/278946399.db2.gz BELYQAKAFYGPMK-SZMVWBNQSA-N 1 0 334.416 3.364 20 5 EGBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H](c1ccco1)[NH+](CC)CC ZINC000192539402 279147715 /nfs/dbraw/zinc/14/77/15/279147715.db2.gz SWSOMUNWSOUWRQ-ZDUSSCGKSA-N 1 0 335.408 3.208 20 5 EGBDRO CC[C@@H](c1ccncc1)[N@H+](C)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000092224820 280220480 /nfs/dbraw/zinc/22/04/80/280220480.db2.gz WTKAQJXYXYLNRM-INIZCTEOSA-N 1 0 345.399 3.460 20 5 EGBDRO Cc1cccc(O[C@H]2CCCC[C@H]2[NH2+]Cc2c([N+](=O)[O-])ncn2C)c1 ZINC000362020173 302007339 /nfs/dbraw/zinc/00/73/39/302007339.db2.gz WSYHIKKBSVJFEO-WBVHZDCISA-N 1 0 344.415 3.117 20 5 EGBDRO COC(=O)[C@]1(C)CCCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000413581579 309038338 /nfs/dbraw/zinc/03/83/38/309038338.db2.gz BKRFGZKSNDHMMW-GOSISDBHSA-N 1 0 343.383 3.231 20 5 EGBDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000075475959 307399962 /nfs/dbraw/zinc/39/99/62/307399962.db2.gz OMORBXAYCQMVPJ-AYJWMTRPSA-N 1 0 333.432 3.235 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N(CC[NH+](C)C)CC(C)C ZINC000120213027 307504541 /nfs/dbraw/zinc/50/45/41/307504541.db2.gz KZTLYZCILPVBGP-UHFFFAOYSA-N 1 0 336.436 3.263 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C\CN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000255037036 308038079 /nfs/dbraw/zinc/03/80/79/308038079.db2.gz XFSDLNDYMANMIW-BQLWYNFJSA-N 1 0 329.444 3.416 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC(CO)(c3ccccc3)CC2)cc1F ZINC000293490160 308135560 /nfs/dbraw/zinc/13/55/60/308135560.db2.gz YYFICYTWROZVLQ-UHFFFAOYSA-N 1 0 344.386 3.260 20 5 EGBDRO C[C@H]([NH2+][C@@H](C)[C@H](O)c1ccc(F)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293611484 308146399 /nfs/dbraw/zinc/14/63/99/308146399.db2.gz GOQOVWHYMXTBPW-DINDLPBHSA-N 1 0 333.363 3.089 20 5 EGBDRO O=C(NCCCCC[NH+]1CCCC1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000293806198 308163601 /nfs/dbraw/zinc/16/36/01/308163601.db2.gz BQUYJRWXSOKQKU-UHFFFAOYSA-N 1 0 339.823 3.244 20 5 EGBDRO C[C@@H]([NH2+]C[C@@]1(C)OCCc2sccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294415165 308218852 /nfs/dbraw/zinc/21/88/52/308218852.db2.gz UAZRUBBUKKVJOI-PIGZYNQJSA-N 1 0 347.440 3.377 20 5 EGBDRO C[C@@H]1[C@H](CO)CCC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000414587692 309090854 /nfs/dbraw/zinc/09/08/54/309090854.db2.gz VILSAIGSEKCNPK-KGLIPLIRSA-N 1 0 330.384 3.448 20 5 EGBDRO C[C@@H]1[C@@H](CO)CCC[N@@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000414589466 309090974 /nfs/dbraw/zinc/09/09/74/309090974.db2.gz WWNZZLLCXIDUTN-UKRRQHHQSA-N 1 0 330.384 3.448 20 5 EGBDRO CC(C)C[N@@H+]1Cc2cccc(NC(=O)CCC(C)(C)[N+](=O)[O-])c2C1 ZINC000295537719 308336817 /nfs/dbraw/zinc/33/68/17/308336817.db2.gz TVURVEJWPSQESQ-UHFFFAOYSA-N 1 0 333.432 3.432 20 5 EGBDRO COc1cccc(NC(=O)CC[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000298546542 308623456 /nfs/dbraw/zinc/62/34/56/308623456.db2.gz YDBAFEWBFXBNPW-ZDUSSCGKSA-N 1 0 343.383 3.283 20 5 EGBDRO COc1cccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000298879494 308646363 /nfs/dbraw/zinc/64/63/63/308646363.db2.gz NMUYWURZMIWSSM-CHWSQXEVSA-N 1 0 343.383 3.281 20 5 EGBDRO CN(CC1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000301190221 308691356 /nfs/dbraw/zinc/69/13/56/308691356.db2.gz LIYRVVAGARKCLZ-UHFFFAOYSA-N 1 0 331.338 3.392 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCC[C@H]([NH+]3CCCC3)C2)c2ncccc12 ZINC000301278737 308694821 /nfs/dbraw/zinc/69/48/21/308694821.db2.gz SQYPHTIWKUDUDR-AWEZNQCLSA-N 1 0 326.400 3.208 20 5 EGBDRO CC(C)C[C@@H](C[NH3+])NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000414838956 309104786 /nfs/dbraw/zinc/10/47/86/309104786.db2.gz LBHAARPVSASJMU-ZDUSSCGKSA-N 1 0 334.445 3.181 20 5 EGBDRO C[NH+](C)[C@@H](CNc1c2c(ccc1[N+](=O)[O-])NCC2)c1ccc(F)cc1 ZINC000302479496 308737950 /nfs/dbraw/zinc/73/79/50/308737950.db2.gz WBEPRMSIMAEXPA-KRWDZBQOSA-N 1 0 344.390 3.417 20 5 EGBDRO Cc1ncsc1CCNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000391237124 308901403 /nfs/dbraw/zinc/90/14/03/308901403.db2.gz WWJSSZXDGBTOFG-UHFFFAOYSA-N 1 0 328.397 3.293 20 5 EGBDRO COC1([C@@H](C)[NH2+]CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CCC1 ZINC000412025195 308963414 /nfs/dbraw/zinc/96/34/14/308963414.db2.gz PJANUXFENIQSRK-CYBMUJFWSA-N 1 0 345.399 3.340 20 5 EGBDRO O=[N+]([O-])c1cnc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c(C(F)(F)F)c1 ZINC000413060019 309013920 /nfs/dbraw/zinc/01/39/20/309013920.db2.gz IELZNQYTGLZDJJ-UWVGGRQHSA-N 1 0 330.310 3.047 20 5 EGBDRO C[C@H]1[C@H](Nc2ncc([N+](=O)[O-])cc2F)CC[N@@H+]1Cc1ccccc1 ZINC000413291728 309025356 /nfs/dbraw/zinc/02/53/56/309025356.db2.gz CKVYZVYQQLIOBO-BLLLJJGKSA-N 1 0 330.363 3.204 20 5 EGBDRO C[C@H]1CN(c2ccc([N+](=O)[O-])c3ncccc23)CC[N@@H+](C2CC2)C1 ZINC000413339998 309027637 /nfs/dbraw/zinc/02/76/37/309027637.db2.gz ZKSUKLXAEHPSDZ-CYBMUJFWSA-N 1 0 326.400 3.064 20 5 EGBDRO C[NH+](C)CC(C)(C)Nc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000413351541 309028257 /nfs/dbraw/zinc/02/82/57/309028257.db2.gz ASMJIZMKUREZOC-UHFFFAOYSA-N 1 0 344.415 3.321 20 5 EGBDRO O=[N+]([O-])c1cccc(CN[C@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000414958211 309111572 /nfs/dbraw/zinc/11/15/72/309111572.db2.gz WJVCWLOHDZSKPO-QAPCUYQASA-N 1 0 347.365 3.108 20 5 EGBDRO CC[C@H]([NH3+])CNCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000414977445 309112466 /nfs/dbraw/zinc/11/24/66/309112466.db2.gz KCOTZARMMLWWSM-HNNXBMFYSA-N 1 0 328.416 3.190 20 5 EGBDRO COc1ccc(-c2ccc(CN[C@@H](C[NH3+])C(C)(C)C)o2)c([N+](=O)[O-])c1 ZINC000415052932 309116736 /nfs/dbraw/zinc/11/67/36/309116736.db2.gz JANGJOSBBYMPEP-KRWDZBQOSA-N 1 0 347.415 3.326 20 5 EGBDRO CCc1ccccc1[C@@H](N)C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000415063979 309117649 /nfs/dbraw/zinc/11/76/49/309117649.db2.gz JMQBOGPNBNZOPT-HKMNZKMDSA-N 1 0 325.412 3.460 20 5 EGBDRO O=C(CC[N@@H+]1CCc2ccccc2C1)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000416220256 309164450 /nfs/dbraw/zinc/16/44/50/309164450.db2.gz XAMVKNQPVXTBJB-UHFFFAOYSA-N 1 0 343.358 3.121 20 5 EGBDRO C[C@H](CCN1CCOCC1)[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417310292 309201184 /nfs/dbraw/zinc/20/11/84/309201184.db2.gz LATYINBAHCGQAF-DNVCBOLYSA-N 1 0 347.459 3.063 20 5 EGBDRO CC(C)(C)NC(=O)CC[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417310559 309201259 /nfs/dbraw/zinc/20/12/59/309201259.db2.gz LXDCICPVUXLISG-MRXNPFEDSA-N 1 0 333.432 3.257 20 5 EGBDRO CC(=O)N1CCC[C@@H](C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000417334354 309202107 /nfs/dbraw/zinc/20/21/07/309202107.db2.gz RIHRVJCYPUZFLL-KXBFYZLASA-N 1 0 345.443 3.210 20 5 EGBDRO Cc1nccnc1CC[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417351167 309202580 /nfs/dbraw/zinc/20/25/80/309202580.db2.gz REEOZLVRAQYQBL-GOSISDBHSA-N 1 0 326.400 3.293 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC(C)(C)C1(O)CCOCC1 ZINC000418125122 309236577 /nfs/dbraw/zinc/23/65/77/309236577.db2.gz IVPYCLRTTGAJIG-PTNGSMBKSA-N 1 0 348.443 3.155 20 5 EGBDRO C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1CCC[C@H]1C(C)(C)C ZINC000419337991 309264910 /nfs/dbraw/zinc/26/49/10/309264910.db2.gz RPQUIVTTWUBUGI-HUUCEWRRSA-N 1 0 333.432 3.340 20 5 EGBDRO O=C(NCCC[NH2+]C1CCCCC1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000419927944 309273386 /nfs/dbraw/zinc/27/33/86/309273386.db2.gz XFCUSWLVKRVBQZ-UHFFFAOYSA-N 1 0 339.823 3.290 20 5 EGBDRO CN(C(=O)C[N@@H+]1CC[C@@H](C2CCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000420967438 309305104 /nfs/dbraw/zinc/30/51/04/309305104.db2.gz YTHXXHOIFWCZTH-OAHLLOKOSA-N 1 0 331.416 3.070 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000421746954 309338206 /nfs/dbraw/zinc/33/82/06/309338206.db2.gz ASMKAPKLBSLHSS-SWLSCSKDSA-N 1 0 333.432 3.062 20 5 EGBDRO Cc1c([C@H](C)[NH2+]C[C@H]2NCCc3ccccc32)cccc1[N+](=O)[O-] ZINC000423414351 309399372 /nfs/dbraw/zinc/39/93/72/309399372.db2.gz CBVIDAPGSGFZOS-KBXCAEBGSA-N 1 0 325.412 3.441 20 5 EGBDRO CCc1ccccc1[C@@H](N)C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000423517126 309404444 /nfs/dbraw/zinc/40/44/44/309404444.db2.gz YORNETTVBMTEKO-KSSFIOAISA-N 1 0 327.428 3.378 20 5 EGBDRO CC(C)C1(C)CC[NH+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000426783249 309516335 /nfs/dbraw/zinc/51/63/35/309516335.db2.gz KHBPXCBGJPYVEU-HNNXBMFYSA-N 1 0 336.432 3.093 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@]2(CO)C[C@@H]2c2ccc(F)cc2)c(F)c1 ZINC000428552493 309555107 /nfs/dbraw/zinc/55/51/07/309555107.db2.gz VLOFAHVATYWGNY-SJLPKXTDSA-N 1 0 348.349 3.129 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(Cc2cccnc2)CC1 ZINC000430206542 309601455 /nfs/dbraw/zinc/60/14/55/309601455.db2.gz WNGBCPTYWKOVPJ-UHFFFAOYSA-N 1 0 341.411 3.453 20 5 EGBDRO CC1(C)C[C@H]([NH2+]Cc2ccc(C(N)=O)cc2)c2cc([N+](=O)[O-])ccc21 ZINC000433162656 309680403 /nfs/dbraw/zinc/68/04/03/309680403.db2.gz MSQFPXUHDFQHBH-KRWDZBQOSA-N 1 0 339.395 3.206 20 5 EGBDRO CCCN(CC[NH+](CC)CC)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444682156 309925713 /nfs/dbraw/zinc/92/57/13/309925713.db2.gz YVODVHWLZXHWPX-UHFFFAOYSA-N 1 0 333.436 3.025 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H](CO)Cc1ccc(F)cc1)CCC2 ZINC000447585610 309983399 /nfs/dbraw/zinc/98/33/99/309983399.db2.gz KWEMLCNLTBNKPO-VQIMIIECSA-N 1 0 344.386 3.305 20 5 EGBDRO CCc1cc(SCC[NH+](C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000447649598 309985206 /nfs/dbraw/zinc/98/52/06/309985206.db2.gz IODQCFAGTGONAG-UHFFFAOYSA-N 1 0 332.429 3.268 20 5 EGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](CN(C)C)c1ccccc1 ZINC000449067911 310034341 /nfs/dbraw/zinc/03/43/41/310034341.db2.gz PBXBRNCQFXMSSC-CRAIPNDOSA-N 1 0 327.428 3.418 20 5 EGBDRO COCCOc1ccc(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000449076472 310035173 /nfs/dbraw/zinc/03/51/73/310035173.db2.gz HQYPMDUEGXPWHW-HNNXBMFYSA-N 1 0 344.411 3.341 20 5 EGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](CO)Cc1ccc(F)cc1 ZINC000449094815 310036655 /nfs/dbraw/zinc/03/66/55/310036655.db2.gz UKBIQYKPGNRKQY-GOEBONIOSA-N 1 0 346.402 3.106 20 5 EGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCN1CCc2sccc2C1 ZINC000449095106 310036675 /nfs/dbraw/zinc/03/66/75/310036675.db2.gz WFXOCBKZRZGYBT-CQSZACIVSA-N 1 0 345.468 3.235 20 5 EGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCCNc1ccccn1 ZINC000449127006 310038851 /nfs/dbraw/zinc/03/88/51/310038851.db2.gz VKOOQKKRCKKKFK-OAHLLOKOSA-N 1 0 328.416 3.403 20 5 EGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)C(=O)Nc1ccccc1 ZINC000449149596 310040494 /nfs/dbraw/zinc/04/04/94/310040494.db2.gz XLDXYOHNIVKINL-KBPBESRZSA-N 1 0 327.384 3.143 20 5 EGBDRO CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449178363 310042537 /nfs/dbraw/zinc/04/25/37/310042537.db2.gz SNMACWKEZAQXKT-MALQSCRYSA-N 1 0 338.473 3.195 20 5 EGBDRO COc1ccc2c(c1)OC[C@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])C2 ZINC000449212247 310044811 /nfs/dbraw/zinc/04/48/11/310044811.db2.gz ZLZGCQLENMGKFU-XJKSGUPXSA-N 1 0 342.395 3.128 20 5 EGBDRO CC(C)c1nnc(CC[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])s1 ZINC000449336022 310054367 /nfs/dbraw/zinc/05/43/67/310054367.db2.gz LNOCQKOFGYRVQB-GFCCVEGCSA-N 1 0 334.445 3.333 20 5 EGBDRO COc1ccc(-c2ccc(C[NH2+]C[C@@H](C)CCCO)o2)c([N+](=O)[O-])c1 ZINC000449406784 310059277 /nfs/dbraw/zinc/05/92/77/310059277.db2.gz CKIBWBWPOBJYBM-ZDUSSCGKSA-N 1 0 348.399 3.362 20 5 EGBDRO COC(=O)c1ccc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)o1 ZINC000449506597 310067748 /nfs/dbraw/zinc/06/77/48/310067748.db2.gz ZDFKIDFTGMQPLB-CQSZACIVSA-N 1 0 344.367 3.354 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCO[C@H](c3ccncc3)C2)c(F)c1 ZINC000449535294 310069867 /nfs/dbraw/zinc/06/98/67/310069867.db2.gz HJMPZVZLARWZIU-PBHICJAKSA-N 1 0 331.347 3.139 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000449578292 310073389 /nfs/dbraw/zinc/07/33/89/310073389.db2.gz KAMZPBOUUHVKKZ-WFEDQXDTSA-N 1 0 332.444 3.447 20 5 EGBDRO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000449586175 310073934 /nfs/dbraw/zinc/07/39/34/310073934.db2.gz MOLQDXLZDBBXKB-OCCSQVGLSA-N 1 0 326.780 3.070 20 5 EGBDRO CCO[C@@H]1COC[C@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000449711583 310081870 /nfs/dbraw/zinc/08/18/70/310081870.db2.gz DYOZVZLEFIMHFE-HZPDHXFCSA-N 1 0 348.424 3.217 20 5 EGBDRO C[N@@H+]1CC[C@H]2CCN(c3nc(-c4ccc([N+](=O)[O-])cc4)cs3)[C@H]2C1 ZINC000450429508 310122042 /nfs/dbraw/zinc/12/20/42/310122042.db2.gz LOROMKAUYNTBTF-BBRMVZONSA-N 1 0 344.440 3.249 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000450860921 310146381 /nfs/dbraw/zinc/14/63/81/310146381.db2.gz NFGOEOQAFFXKLL-UAGQMJEPSA-N 1 0 332.400 3.041 20 5 EGBDRO CC(C)(C[NH+]1CCCC1)Nc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000450953122 310151776 /nfs/dbraw/zinc/15/17/76/310151776.db2.gz XBICQBMMSYBYQX-UHFFFAOYSA-N 1 0 329.347 3.483 20 5 EGBDRO C[C@H]([NH2+]CC(=O)N(C)[C@@H]1CCCC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000451104060 310160847 /nfs/dbraw/zinc/16/08/47/310160847.db2.gz JMXXISLXIUUZNH-GRDNDAEWSA-N 1 0 333.432 3.283 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2noc(C[NH2+][C@@H]3CCC34CCCC4)n2)c1 ZINC000451469339 310179712 /nfs/dbraw/zinc/17/97/12/310179712.db2.gz MCSKFMDRBJXWST-CQSZACIVSA-N 1 0 328.372 3.457 20 5 EGBDRO CO[C@]1(C)C[C@H]([NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1(C)C ZINC000451481685 310180451 /nfs/dbraw/zinc/18/04/51/310180451.db2.gz BGJSBHIPNCIPNT-MAUKXSAKSA-N 1 0 349.431 3.025 20 5 EGBDRO CC(C)[C@H]1[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC12CCCC2 ZINC000453039665 310253891 /nfs/dbraw/zinc/25/38/91/310253891.db2.gz OSDMJTKQGUPPHJ-MAUKXSAKSA-N 1 0 348.443 3.235 20 5 EGBDRO COc1ccc(C[NH2+][C@H](C)CCCc2cccnc2)cc1[N+](=O)[O-] ZINC000453075358 310256323 /nfs/dbraw/zinc/25/63/23/310256323.db2.gz DZRLOZIGFABXDC-CQSZACIVSA-N 1 0 329.400 3.499 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCO[C@H](c3nccn3C)C2)cc1[N+](=O)[O-] ZINC000453393834 310274600 /nfs/dbraw/zinc/27/46/00/310274600.db2.gz ILTFZGLEMINCRC-QRTARXTBSA-N 1 0 344.415 3.208 20 5 EGBDRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000454225027 310298160 /nfs/dbraw/zinc/29/81/60/310298160.db2.gz WLAIPYQKXTUVSS-LLVKDONJSA-N 1 0 340.811 3.196 20 5 EGBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000454350417 310304844 /nfs/dbraw/zinc/30/48/44/310304844.db2.gz CIZUCGSEOIXDNL-LBPRGKRZSA-N 1 0 340.811 3.195 20 5 EGBDRO C[NH+](C)[C@H]1CCc2cc(NC(=O)c3ccc([N+](=O)[O-])s3)ccc21 ZINC000456259546 310395311 /nfs/dbraw/zinc/39/53/11/310395311.db2.gz HBNPUHPILBCSAC-ZDUSSCGKSA-N 1 0 331.397 3.458 20 5 EGBDRO COc1cccc2c1C[C@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])C2 ZINC000459726688 310571042 /nfs/dbraw/zinc/57/10/42/310571042.db2.gz MCFYZWQNSGNAOR-XJKSGUPXSA-N 1 0 326.396 3.291 20 5 EGBDRO Cc1nc(N(CC[NH+](C)C)Cc2ccccc2F)ccc1[N+](=O)[O-] ZINC000471750431 310745484 /nfs/dbraw/zinc/74/54/84/310745484.db2.gz VKLNUUUUKYRHQT-UHFFFAOYSA-N 1 0 332.379 3.006 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCC[NH+]1CCCCCC1 ZINC000475644133 310814943 /nfs/dbraw/zinc/81/49/43/310814943.db2.gz YISMEHFMMHJPIT-UHFFFAOYSA-N 1 0 334.420 3.209 20 5 EGBDRO CCC(C)(C)[NH2+][C@H](C)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000476755360 310833888 /nfs/dbraw/zinc/83/38/88/310833888.db2.gz BHBYZKNUNWYWJG-CQSZACIVSA-N 1 0 335.448 3.200 20 5 EGBDRO COCC[N@H+](Cc1cc(OC)c(F)cc1[N+](=O)[O-])[C@@H]1CCC[C@@H]1C ZINC000487951000 311044368 /nfs/dbraw/zinc/04/43/68/311044368.db2.gz BSHWAELUVTYRJB-SWLSCSKDSA-N 1 0 340.395 3.380 20 5 EGBDRO CCC1CCC([N@H+](CCO)Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000488225948 311056794 /nfs/dbraw/zinc/05/67/94/311056794.db2.gz CJNYZTLZHNQPCT-UHFFFAOYSA-N 1 0 336.432 3.367 20 5 EGBDRO Cc1cc(N2CCC(O)(C(F)F)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000490019528 311129912 /nfs/dbraw/zinc/12/99/12/311129912.db2.gz UVGGMSUBZWPPQS-UHFFFAOYSA-N 1 0 337.326 3.048 20 5 EGBDRO C[NH+](C)Cc1ccccc1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000492836660 311297196 /nfs/dbraw/zinc/29/71/96/311297196.db2.gz KCQWCEQOHJSTKR-ZHACJKMWSA-N 1 0 325.368 3.308 20 5 EGBDRO CC1(C)CCC[C@H]1[NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000492938738 311309464 /nfs/dbraw/zinc/30/94/64/311309464.db2.gz VZAOTTLIROJYIC-OAHLLOKOSA-N 1 0 333.388 3.061 20 5 EGBDRO CN(C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-])C(C)(C)C[NH+]1CCCC1 ZINC000493819497 311434651 /nfs/dbraw/zinc/43/46/51/311434651.db2.gz JWGDJXJGLUQLPO-VQHVLOKHSA-N 1 0 349.406 3.080 20 5 EGBDRO Cc1ccc([C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)c2ccccc2)cc1 ZINC000494037559 311452641 /nfs/dbraw/zinc/45/26/41/311452641.db2.gz HKNFUHSKLXQTFV-IBGZPJMESA-N 1 0 336.395 3.479 20 5 EGBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000495432127 311563215 /nfs/dbraw/zinc/56/32/15/311563215.db2.gz HADTVYCZLWTOLS-DOMZBBRYSA-N 1 0 349.431 3.248 20 5 EGBDRO Cc1c(C[NH2+][C@@H](C)C2CN(C(=O)OC(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000495803289 311613709 /nfs/dbraw/zinc/61/37/09/311613709.db2.gz JIFDMIRZTURMTB-ZDUSSCGKSA-N 1 0 349.431 3.248 20 5 EGBDRO CCOc1ccc([C@@H](C)[NH2+]CCN2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000504925456 312012406 /nfs/dbraw/zinc/01/24/06/312012406.db2.gz BYYDPQWLXWPWCL-OAHLLOKOSA-N 1 0 335.448 3.376 20 5 EGBDRO CC[C@H]1CCCCN1C(=O)[C@@H](C)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000511140140 312155708 /nfs/dbraw/zinc/15/57/08/312155708.db2.gz SIAOOFZJMBNRDD-WBVHZDCISA-N 1 0 347.459 3.249 20 5 EGBDRO CO[C@@H]1[C@H]2C[C@H]3C[N@H+](Cc4cc([N+](=O)[O-])ccc4OC(C)C)[C@H]1[C@H]3C2 ZINC000511621486 312164345 /nfs/dbraw/zinc/16/43/45/312164345.db2.gz DYEDKFXPTAKWPY-IENPJVBLSA-N 1 0 346.427 3.237 20 5 EGBDRO C[N@H+](CCc1nc(-c2ccccc2)no1)Cc1cccc([N+](=O)[O-])c1 ZINC000512150473 312176800 /nfs/dbraw/zinc/17/68/00/312176800.db2.gz VQVBDOCTHCHACT-UHFFFAOYSA-N 1 0 338.367 3.319 20 5 EGBDRO CC(C)CN(C(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000514766607 312244167 /nfs/dbraw/zinc/24/41/67/312244167.db2.gz ZQHPWBTYINIQLH-OAHLLOKOSA-N 1 0 347.459 3.277 20 5 EGBDRO Cc1ccc([C@@H](C)C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000516454478 312324162 /nfs/dbraw/zinc/32/41/62/312324162.db2.gz RPWIOXGMVMIEMV-MAUKXSAKSA-N 1 0 344.411 3.036 20 5 EGBDRO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)C(C)(C)C ZINC000517961615 312400017 /nfs/dbraw/zinc/40/00/17/312400017.db2.gz NNASXBRGHRRYLJ-IAQYHMDHSA-N 1 0 337.420 3.345 20 5 EGBDRO CC[C@H]([NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000531981180 313738990 /nfs/dbraw/zinc/73/89/90/313738990.db2.gz LORIGJWNEGSACL-DYVFJYSZSA-N 1 0 349.431 3.107 20 5 EGBDRO O=C(CC[NH+]1CCc2ccccc2CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000533300457 313892302 /nfs/dbraw/zinc/89/23/02/313892302.db2.gz XHLPLJJAFJLMMM-UHFFFAOYSA-N 1 0 339.395 3.024 20 5 EGBDRO C[C@@H](CCO)C[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000537310111 314173881 /nfs/dbraw/zinc/17/38/81/314173881.db2.gz DLRIFAHYVBZGKU-HNNXBMFYSA-N 1 0 343.427 3.471 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000538277167 314236728 /nfs/dbraw/zinc/23/67/28/314236728.db2.gz XXMOZWYLFXGSMO-JJAZEVLHSA-N 1 0 347.459 3.495 20 5 EGBDRO Cc1ccoc1C(=O)NCCC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000539082732 314295520 /nfs/dbraw/zinc/29/55/20/314295520.db2.gz UKTVOKGPTHMIAF-CQSZACIVSA-N 1 0 345.399 3.275 20 5 EGBDRO O=[N+]([O-])c1cccc(N2CC[NH+](CCCc3ccsc3)CC2)c1 ZINC000542090927 314517232 /nfs/dbraw/zinc/51/72/32/314517232.db2.gz QDENKBMDCWAULS-UHFFFAOYSA-N 1 0 331.441 3.411 20 5 EGBDRO COC(=O)[C@@H](Cc1ccccc1)[C@H](C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000551720064 315165407 /nfs/dbraw/zinc/16/54/07/315165407.db2.gz ORZQKRXZBLXWTI-YOEHRIQHSA-N 1 0 342.395 3.105 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](CO)Cc1ccc(F)cc1 ZINC000552923047 315237936 /nfs/dbraw/zinc/23/79/36/315237936.db2.gz FYLHTHZZFWUQGK-BBRMVZONSA-N 1 0 332.375 3.297 20 5 EGBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H](O)Cc1cccc(Cl)c1 ZINC000554251249 315304698 /nfs/dbraw/zinc/30/46/98/315304698.db2.gz MGMWEZMIHBZEKE-KRWDZBQOSA-N 1 0 348.830 3.326 20 5 EGBDRO Cc1ccc(C[C@H]2CCC[N@H+](CCn3ccc([N+](=O)[O-])n3)C2)cc1 ZINC000555360109 315380981 /nfs/dbraw/zinc/38/09/81/315380981.db2.gz BZBIBHFLESLNSX-QGZVFWFLSA-N 1 0 328.416 3.054 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCO[C@@H](c2nccn2C)C1 ZINC000562784338 315900199 /nfs/dbraw/zinc/90/01/99/315900199.db2.gz XACQPESYSQUUKJ-JJRVBVJISA-N 1 0 344.415 3.208 20 5 EGBDRO C[C@H]([NH2+]C[C@H]1CN(c2ccccc2)CCO1)c1ccc([N+](=O)[O-])cc1 ZINC000563366932 316008011 /nfs/dbraw/zinc/00/80/11/316008011.db2.gz VITSWRGUQQHFFR-KXBFYZLASA-N 1 0 341.411 3.151 20 5 EGBDRO C[N@@H+]1CCC[C@H](CN[C@@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)C1 ZINC000563721557 316060980 /nfs/dbraw/zinc/06/09/80/316060980.db2.gz FVRCGCYCOZXFTC-RISCZKNCSA-N 1 0 331.338 3.130 20 5 EGBDRO C[C@@H](C(=O)N(C)C(C)(C)C[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000565763809 316366562 /nfs/dbraw/zinc/36/65/62/316366562.db2.gz YTYOXAUHZUOGOH-CQSZACIVSA-N 1 0 333.432 3.031 20 5 EGBDRO CCCC[C@@H](C)[C@H](C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000569848288 316972955 /nfs/dbraw/zinc/97/29/55/316972955.db2.gz QLFOCGNKLVEXLE-KGLIPLIRSA-N 1 0 342.461 3.173 20 5 EGBDRO COC(=O)[C@H](Cc1ccccc1)[C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000570831508 317114779 /nfs/dbraw/zinc/11/47/79/317114779.db2.gz MHFFEKUOONGISL-RDTXWAMCSA-N 1 0 342.395 3.105 20 5 EGBDRO C[C@@H](C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000571106444 317151310 /nfs/dbraw/zinc/15/13/10/317151310.db2.gz PRHRGSCMCGMNAC-HZPDHXFCSA-N 1 0 345.443 3.033 20 5 EGBDRO C[C@H](C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000571106443 317151472 /nfs/dbraw/zinc/15/14/72/317151472.db2.gz PRHRGSCMCGMNAC-HOTGVXAUSA-N 1 0 345.443 3.033 20 5 EGBDRO CN(CCC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])CC(F)(F)F ZINC000572135395 317296590 /nfs/dbraw/zinc/29/65/90/317296590.db2.gz XIELZVYIOPEZCT-ZDUSSCGKSA-N 1 0 331.338 3.056 20 5 EGBDRO C[C@H](C(=O)NCC1([NH+](C)C)CCCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000573900529 317539980 /nfs/dbraw/zinc/53/99/80/317539980.db2.gz QLMIAFIJZAANPT-HNNXBMFYSA-N 1 0 347.459 3.469 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)N(CC(C)C)C2CC2)cc1[N+](=O)[O-] ZINC000181823893 323507296 /nfs/dbraw/zinc/50/72/96/323507296.db2.gz BNAJJWLGTLZUFV-CQSZACIVSA-N 1 0 333.432 3.201 20 5 EGBDRO COC[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(F)c(F)c1 ZINC000182831638 323577813 /nfs/dbraw/zinc/57/78/13/323577813.db2.gz CTWUFXZPDKUJRH-QGZVFWFLSA-N 1 0 336.338 3.393 20 5 EGBDRO CC(C)(C)OC(=O)NC[C@H]1CC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000382458286 324250892 /nfs/dbraw/zinc/25/08/92/324250892.db2.gz SFWKXOFLGHQIAF-GJZGRUSLSA-N 1 0 349.431 3.378 20 5 EGBDRO Cc1nn(C)c2ncc(C[NH2+][C@@H](C)c3cccc([N+](=O)[O-])c3)cc12 ZINC000393452472 324290097 /nfs/dbraw/zinc/29/00/97/324290097.db2.gz NKGQXRKQJBUJCM-NSHDSACASA-N 1 0 325.372 3.036 20 5 EGBDRO C[C@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)C1CCCCC1 ZINC000576853654 324694459 /nfs/dbraw/zinc/69/44/59/324694459.db2.gz JREMOJCJNQHPAT-GUYCJALGSA-N 1 0 331.416 3.259 20 5 EGBDRO CC1(C)C[C@H]([NH2+][C@H]2C[C@@H]3CCCCN3C2=O)c2cc([N+](=O)[O-])ccc21 ZINC000578847208 325027022 /nfs/dbraw/zinc/02/70/22/325027022.db2.gz UIJAYTDGGSXPNB-ZLIFDBKOSA-N 1 0 343.427 3.060 20 5 EGBDRO C[C@@H]1CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@@H]2CCCC[C@H]12 ZINC000579818605 325163448 /nfs/dbraw/zinc/16/34/48/325163448.db2.gz MUNQJTBNJZJLKL-YYIAUSFCSA-N 1 0 348.443 3.235 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCO[C@]3(CCOC3)C1)CCCC2 ZINC000581477816 325364540 /nfs/dbraw/zinc/36/45/40/325364540.db2.gz DIROHYLKJUIMEP-ATZDWAIDSA-N 1 0 346.427 3.290 20 5 EGBDRO C[C@@H](C(=O)NC[C@H](c1ccsc1)[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000583418174 325521837 /nfs/dbraw/zinc/52/18/37/325521837.db2.gz PKSLQVJKGYRREN-MLGOLLRUSA-N 1 0 347.440 3.179 20 5 EGBDRO C[C@@H]([NH2+]CCOCC(F)(F)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000189833363 455245014 /nfs/dbraw/zinc/24/50/14/455245014.db2.gz VVTSVAUCXIWBBK-SECBINFHSA-N 1 0 342.264 3.460 20 5 EGBDRO CC[C@H]1[C@H](C)CC[N@@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000481407413 459252970 /nfs/dbraw/zinc/25/29/70/459252970.db2.gz YPQAVFQMMTVUKU-MFKMUULPSA-N 1 0 325.796 3.307 20 5 EGBDRO COc1ccc(OCC[N@H+](C)[C@H](C)c2cccc(O)c2)c([N+](=O)[O-])c1 ZINC000173365180 455273708 /nfs/dbraw/zinc/27/37/08/455273708.db2.gz RKAJBWVBJRSCOX-CYBMUJFWSA-N 1 0 346.383 3.381 20 5 EGBDRO CC[NH+](CC)CCSCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000174023362 455352456 /nfs/dbraw/zinc/35/24/56/455352456.db2.gz MUPXVBBLXSUPRA-UHFFFAOYSA-N 1 0 345.852 3.262 20 5 EGBDRO C[N@@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C[C@@H]1CCC[C@H]1O ZINC000245693994 455357380 /nfs/dbraw/zinc/35/73/80/455357380.db2.gz AZQLMEAQDXSECF-WMLDXEAASA-N 1 0 330.384 3.448 20 5 EGBDRO COC(=O)c1ccc(-c2cccc(C[NH2+]C3CC3)c2)c([N+](=O)[O-])c1 ZINC000600784049 460603298 /nfs/dbraw/zinc/60/32/98/460603298.db2.gz JETKCHBYABKVRC-UHFFFAOYSA-N 1 0 326.352 3.300 20 5 EGBDRO COC(=O)c1ccc(-c2cccc([C@H]3CC[NH2+]C3)c2)c([N+](=O)[O-])c1 ZINC000600787097 460603836 /nfs/dbraw/zinc/60/38/36/460603836.db2.gz XOVIFNHWAAWNFK-HNNXBMFYSA-N 1 0 326.352 3.125 20 5 EGBDRO COC(=O)c1ccc(-c2cccc([C@@H]3CC[NH2+]C3)c2)c([N+](=O)[O-])c1 ZINC000600787099 460604009 /nfs/dbraw/zinc/60/40/09/460604009.db2.gz XOVIFNHWAAWNFK-OAHLLOKOSA-N 1 0 326.352 3.125 20 5 EGBDRO C[NH+](C)[C@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000016599295 453615171 /nfs/dbraw/zinc/61/51/71/453615171.db2.gz UMKTXUKBEKPFLM-MRXNPFEDSA-N 1 0 347.802 3.281 20 5 EGBDRO CC[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(C)cc1 ZINC000026712703 453804259 /nfs/dbraw/zinc/80/42/59/453804259.db2.gz GEVSJNSBJNCCTL-HKUYNNGSSA-N 1 0 344.411 3.384 20 5 EGBDRO CC[NH+](CC)[C@@H](CNC(=O)c1ccccc1[N+](=O)[O-])c1ccsc1 ZINC000031987979 453860656 /nfs/dbraw/zinc/86/06/56/453860656.db2.gz YIHRQNFPPALXIN-INIZCTEOSA-N 1 0 347.440 3.469 20 5 EGBDRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000053304730 453870824 /nfs/dbraw/zinc/87/08/24/453870824.db2.gz JBYNZGKWVSZRJP-RYUDHWBXSA-N 1 0 339.461 3.143 20 5 EGBDRO CC[NH+](CC)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1C)c1ccco1 ZINC000067274124 453916780 /nfs/dbraw/zinc/91/67/80/453916780.db2.gz OXKHGHCGKJRPRF-MRXNPFEDSA-N 1 0 345.399 3.309 20 5 EGBDRO O=C(Nc1cccc(C[NH+]2CCCC2)c1)c1ccccc1[N+](=O)[O-] ZINC000040512031 453951897 /nfs/dbraw/zinc/95/18/97/453951897.db2.gz GZWJESZIOLWOGP-UHFFFAOYSA-N 1 0 325.368 3.443 20 5 EGBDRO Cc1ccc(C[N@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])s1 ZINC000076342883 453991142 /nfs/dbraw/zinc/99/11/42/453991142.db2.gz ZHZCVWCVPRSQAH-UHFFFAOYSA-N 1 0 333.413 3.425 20 5 EGBDRO CC(C)c1ccc(C[NH2+][C@H]2c3ccccc3C[C@@H]2O)cc1[N+](=O)[O-] ZINC000085334638 454023028 /nfs/dbraw/zinc/02/30/28/454023028.db2.gz WNMFLECYKRQORE-OALUTQOASA-N 1 0 326.396 3.466 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000085635110 454035461 /nfs/dbraw/zinc/03/54/61/454035461.db2.gz DMIHZJSOUIVLMD-CQSZACIVSA-N 1 0 334.420 3.017 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000085637509 454035499 /nfs/dbraw/zinc/03/54/99/454035499.db2.gz SPAUMGQEOMULLN-CYBMUJFWSA-N 1 0 348.447 3.455 20 5 EGBDRO COc1ccc(CN2CCC[C@H]2C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000069033100 454073422 /nfs/dbraw/zinc/07/34/22/454073422.db2.gz KYXXIGCUUOJLLU-INIZCTEOSA-N 1 0 333.432 3.054 20 5 EGBDRO CCCCN(C)C(=O)C1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000077203407 454074311 /nfs/dbraw/zinc/07/43/11/454074311.db2.gz SHCOCSOWKNWDGH-UHFFFAOYSA-N 1 0 347.459 3.108 20 5 EGBDRO C[NH+](C)CC[C@@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000087300934 454075724 /nfs/dbraw/zinc/07/57/24/454075724.db2.gz WINOJNNCQLPABY-MRXNPFEDSA-N 1 0 335.448 3.010 20 5 EGBDRO C[C@H](NC(=O)N1CCC[N@@H+](C(C)(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000057615762 454137661 /nfs/dbraw/zinc/13/76/61/454137661.db2.gz FZXRISDRVSFHGO-AWEZNQCLSA-N 1 0 348.447 3.172 20 5 EGBDRO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCO2 ZINC000089580969 454163119 /nfs/dbraw/zinc/16/31/19/454163119.db2.gz GTTMSBQWXWXSDC-LBPRGKRZSA-N 1 0 330.340 3.053 20 5 EGBDRO CCC[C@H]([NH2+][C@@H](C)C(=O)N1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000089592558 454165251 /nfs/dbraw/zinc/16/52/51/454165251.db2.gz HPVWSYZMEJQVAK-YOEHRIQHSA-N 1 0 333.432 3.427 20 5 EGBDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000045950955 454199905 /nfs/dbraw/zinc/19/99/05/454199905.db2.gz CXWJUIOTULBCAJ-CQSZACIVSA-N 1 0 334.420 3.371 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+][C@H]1CC[C@@H](CO)CC1 ZINC000130498332 454201183 /nfs/dbraw/zinc/20/11/83/454201183.db2.gz UNBAMJXZVSNLPK-JOCBIADPSA-N 1 0 332.444 3.447 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CC[C@H]4OCCC[C@@H]4C3)co2)cc1 ZINC000089910262 454232226 /nfs/dbraw/zinc/23/22/26/454232226.db2.gz SVOHCVGRGYIEJD-RHSMWYFYSA-N 1 0 343.383 3.251 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000120066212 454254058 /nfs/dbraw/zinc/25/40/58/454254058.db2.gz CKVMOWYGXUEQQH-LBPRGKRZSA-N 1 0 334.420 3.065 20 5 EGBDRO Cc1c(C(=O)N2CC[NH+](CCC(C)(C)C)CC2)cccc1[N+](=O)[O-] ZINC000059828945 454262956 /nfs/dbraw/zinc/26/29/56/454262956.db2.gz GIKHYKLOBMEQND-UHFFFAOYSA-N 1 0 333.432 3.097 20 5 EGBDRO Cc1ccoc1C(=O)NCCC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000090060968 454270281 /nfs/dbraw/zinc/27/02/81/454270281.db2.gz GISUCNNILZEIBU-AWEZNQCLSA-N 1 0 345.399 3.275 20 5 EGBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000120214830 454273857 /nfs/dbraw/zinc/27/38/57/454273857.db2.gz KOXIVJOVUGNLTR-CABCVRRESA-N 1 0 346.431 3.302 20 5 EGBDRO CC(C)(C)c1ccc(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000120237900 454275983 /nfs/dbraw/zinc/27/59/83/454275983.db2.gz QEOTUXVCSYWZNA-CYBMUJFWSA-N 1 0 345.443 3.106 20 5 EGBDRO CC[NH+](CC)[C@H]1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000078576586 454278345 /nfs/dbraw/zinc/27/83/45/454278345.db2.gz HGZNEGZKYBHQDI-LBPRGKRZSA-N 1 0 329.347 3.117 20 5 EGBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000184699707 455431374 /nfs/dbraw/zinc/43/13/74/455431374.db2.gz NYNIMGFQIVRJON-DOTOQJQBSA-N 1 0 347.459 3.012 20 5 EGBDRO Cc1cnc(N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)c([N+](=O)[O-])c1 ZINC000078663446 454294409 /nfs/dbraw/zinc/29/44/09/454294409.db2.gz DZUGUEWVUDDJFY-JKSUJKDBSA-N 1 0 332.448 3.389 20 5 EGBDRO Cc1cccc(C(=O)NCCCC[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000047198994 454339624 /nfs/dbraw/zinc/33/96/24/454339624.db2.gz VGBRBGQYWKQLMY-UHFFFAOYSA-N 1 0 333.432 3.145 20 5 EGBDRO CN(C)c1cccc(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000090851241 454345981 /nfs/dbraw/zinc/34/59/81/454345981.db2.gz LJQWVOJKTPNTBQ-KRWDZBQOSA-N 1 0 340.427 3.167 20 5 EGBDRO CN(CC[N@H+](C)C1CCCCC1)c1nc2sccn2c1[N+](=O)[O-] ZINC000063248163 454398913 /nfs/dbraw/zinc/39/89/13/454398913.db2.gz WXEDNOXGYPPYGD-UHFFFAOYSA-N 1 0 337.449 3.005 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000063507404 454419691 /nfs/dbraw/zinc/41/96/91/454419691.db2.gz IQKVUWFMIZPZAB-QGZVFWFLSA-N 1 0 342.399 3.397 20 5 EGBDRO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2C(C)C)c([N+](=O)[O-])c1 ZINC000063618488 454430861 /nfs/dbraw/zinc/43/08/61/454430861.db2.gz HMXPEVKMGDDNFP-HNNXBMFYSA-N 1 0 335.404 3.052 20 5 EGBDRO COC(=O)[C@H](C)[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000079922441 454499916 /nfs/dbraw/zinc/49/99/16/454499916.db2.gz KOYWDGQLCJIVLU-CXAGYDPISA-N 1 0 328.368 3.235 20 5 EGBDRO COc1ccc(-c2ccc(C[NH2+][C@@H](CO)CC(C)C)o2)c([N+](=O)[O-])c1 ZINC000102424178 454505114 /nfs/dbraw/zinc/50/51/14/454505114.db2.gz VJTYJUANUPYDAA-CYBMUJFWSA-N 1 0 348.399 3.360 20 5 EGBDRO C[C@@H](NC(=O)NC[C@H](C)[NH+]1CCC(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000065478731 454573980 /nfs/dbraw/zinc/57/39/80/454573980.db2.gz LYWQHKAOJNGJJO-LSDHHAIUSA-N 1 0 348.447 3.075 20 5 EGBDRO Cc1cc(N2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000092642500 454598147 /nfs/dbraw/zinc/59/81/47/454598147.db2.gz BZSRTNDRYMFXEK-HOTGVXAUSA-N 1 0 347.459 3.229 20 5 EGBDRO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000051051104 454606745 /nfs/dbraw/zinc/60/67/45/454606745.db2.gz OBCSFCSFDKJMIO-ZBFHGGJFSA-N 1 0 333.432 3.112 20 5 EGBDRO C[C@H]([NH2+]CC(C)(C)N1C[C@@H](C)O[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000123685974 454665317 /nfs/dbraw/zinc/66/53/17/454665317.db2.gz WHMSOCIPXVTNPH-ZNMIVQPWSA-N 1 0 335.448 3.133 20 5 EGBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@H]2CCCc2ccccc2)n1 ZINC000135361253 454668114 /nfs/dbraw/zinc/66/81/14/454668114.db2.gz HAXNDOMHAJYFHG-QGZVFWFLSA-N 1 0 328.416 3.279 20 5 EGBDRO Cc1c(CC(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000161554717 454703076 /nfs/dbraw/zinc/70/30/76/454703076.db2.gz BIMXQGNKASEASH-SFHVURJKSA-N 1 0 347.459 3.072 20 5 EGBDRO C[C@@H]1C[C@@H]1c1ccc(C[N@H+](CCn2ccc([N+](=O)[O-])n2)C2CC2)o1 ZINC000176208097 454712420 /nfs/dbraw/zinc/71/24/20/454712420.db2.gz HJRWFCRICXYDQA-DOMZBBRYSA-N 1 0 330.388 3.172 20 5 EGBDRO CSc1ccc(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000106790920 454718964 /nfs/dbraw/zinc/71/89/64/454718964.db2.gz VRBFYHXNFGPLAR-CYBMUJFWSA-N 1 0 349.456 3.063 20 5 EGBDRO Cc1cccc(OC[C@H](O)C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000152895272 454738501 /nfs/dbraw/zinc/73/85/01/454738501.db2.gz YSZQWFQHMPFQIQ-NVXWUHKLSA-N 1 0 344.411 3.302 20 5 EGBDRO C[C@H](O)[C@H]1CCC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000136844982 454758729 /nfs/dbraw/zinc/75/87/29/454758729.db2.gz IZVBJMLNHMWISC-ZFWWWQNUSA-N 1 0 330.384 3.448 20 5 EGBDRO COc1cccc([C@@H]2CCC[N@@H+]2C[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000136897039 454760177 /nfs/dbraw/zinc/76/01/77/454760177.db2.gz LKGAFWOWEFUCII-OALUTQOASA-N 1 0 342.395 3.474 20 5 EGBDRO O=[N+]([O-])c1cc(Br)ccc1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000107829876 454774973 /nfs/dbraw/zinc/77/49/73/454774973.db2.gz LQRCYPRNEWJYQB-VXGBXAGGSA-N 1 0 340.221 3.396 20 5 EGBDRO Cc1cc(C(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)cc([N+](=O)[O-])c1 ZINC000139806281 454811795 /nfs/dbraw/zinc/81/17/95/454811795.db2.gz YIVUZQGISAOKGI-UHFFFAOYSA-N 1 0 333.432 3.096 20 5 EGBDRO CC[C@H](c1ccccc1)[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000141380384 454828563 /nfs/dbraw/zinc/82/85/63/454828563.db2.gz BFYFLZVVQAOLOL-QGZVFWFLSA-N 1 0 326.400 3.263 20 5 EGBDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000177300812 454847910 /nfs/dbraw/zinc/84/79/10/454847910.db2.gz BERQPRNNFBPLEN-UHFFFAOYSA-N 1 0 327.384 3.146 20 5 EGBDRO O=C(NCCCCC[NH+]1CCCCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000111423299 454863806 /nfs/dbraw/zinc/86/38/06/454863806.db2.gz QNJBONRJJCLVSS-UHFFFAOYSA-N 1 0 334.420 3.373 20 5 EGBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H](Cc2ccccc2)c2cccs2)c1 ZINC000184977546 455480748 /nfs/dbraw/zinc/48/07/48/455480748.db2.gz FTITVYCMZZESDJ-INIZCTEOSA-N 1 0 342.424 3.426 20 5 EGBDRO CC[C@@H](C)[C@@H](O)C[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000112381133 454885741 /nfs/dbraw/zinc/88/57/41/454885741.db2.gz MNSFFOGZNGQFLD-PXAZEXFGSA-N 1 0 348.399 3.360 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]Cc2cccc(C(=O)N(C)C)c2)cc1[N+](=O)[O-] ZINC000177738231 454897441 /nfs/dbraw/zinc/89/74/41/454897441.db2.gz NXTNLBDZTQVSKP-AWEZNQCLSA-N 1 0 341.411 3.456 20 5 EGBDRO CC[C@H]([NH2+]CCC(=O)Nc1ccc(C)cn1)c1cccc([N+](=O)[O-])c1 ZINC000167217827 454919205 /nfs/dbraw/zinc/91/92/05/454919205.db2.gz AZUXWAYPZUCKPG-INIZCTEOSA-N 1 0 342.399 3.368 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCN(c2ncccc2F)C1 ZINC000168171781 454925946 /nfs/dbraw/zinc/92/59/46/454925946.db2.gz BXWASHHXQGNYAY-ZIAGYGMSSA-N 1 0 344.390 3.367 20 5 EGBDRO Cc1c([C@H](C)[NH2+][C@H]2CCN(c3ncccc3F)C2)cccc1[N+](=O)[O-] ZINC000168172994 454926114 /nfs/dbraw/zinc/92/61/14/454926114.db2.gz VBWVCHFAPZPDCA-KBPBESRZSA-N 1 0 344.390 3.367 20 5 EGBDRO O=[N+]([O-])c1cccc(C[N@H+](Cc2ccc(-n3cncn3)cc2)C2CC2)c1 ZINC000126981252 454930730 /nfs/dbraw/zinc/93/07/30/454930730.db2.gz NBSSBFFPORCKTL-UHFFFAOYSA-N 1 0 349.394 3.340 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H]1CCO[C@]2(CCSC2)C1 ZINC000151352445 454973370 /nfs/dbraw/zinc/97/33/70/454973370.db2.gz XOXHWCPUMDQEAR-YEICVZNQSA-N 1 0 334.441 3.252 20 5 EGBDRO Cc1ccccc1C[C@H](CO)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000191564463 455498053 /nfs/dbraw/zinc/49/80/53/455498053.db2.gz PWABDNSJSXHNMF-NVXWUHKLSA-N 1 0 328.412 3.466 20 5 EGBDRO CCC[N@@H+]1CC[C@H](CNC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000127915823 455009374 /nfs/dbraw/zinc/00/93/74/455009374.db2.gz MVYOIUJPSZTTNY-CQSZACIVSA-N 1 0 334.420 3.065 20 5 EGBDRO Cc1c(NC(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)cccc1[N+](=O)[O-] ZINC000156552423 455131860 /nfs/dbraw/zinc/13/18/60/455131860.db2.gz WYLMJYBBEOLTLY-HNNXBMFYSA-N 1 0 348.447 3.393 20 5 EGBDRO C[NH+](C)[C@@H]1CCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000130141017 455144674 /nfs/dbraw/zinc/14/46/74/455144674.db2.gz GTNQSLGHZKWBQR-MRXNPFEDSA-N 1 0 329.400 3.381 20 5 EGBDRO C[C@@H]([NH2+]CC(=O)N(C)Cc1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000180435207 455169990 /nfs/dbraw/zinc/16/99/90/455169990.db2.gz HBGRLNCUQGCBFP-CYBMUJFWSA-N 1 0 345.374 3.043 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(N2CCCCC2=O)CC1 ZINC000182849433 455177126 /nfs/dbraw/zinc/17/71/26/455177126.db2.gz HDSKOWFPLWLHCL-HNNXBMFYSA-N 1 0 345.443 3.441 20 5 EGBDRO C[C@H](CO)C[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000237388894 455180972 /nfs/dbraw/zinc/18/09/72/455180972.db2.gz DZXHONZZMWJJBZ-LBPRGKRZSA-N 1 0 334.347 3.244 20 5 EGBDRO CN(Cc1ccccc1[N+](=O)[O-])C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000172748926 455181593 /nfs/dbraw/zinc/18/15/93/455181593.db2.gz PMTWNNUXNANPBV-MRXNPFEDSA-N 1 0 341.367 3.052 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+]CCc2cc(Cl)c3c(c2)OCCO3)cc1 ZINC000237692642 455208068 /nfs/dbraw/zinc/20/80/68/455208068.db2.gz LXXBYBFGOFPGLX-UHFFFAOYSA-N 1 0 348.786 3.352 20 5 EGBDRO CC(C)n1c(Sc2ccccc2[N+](=O)[O-])nnc1[C@@H]1CCC[NH2+]C1 ZINC000265460771 455328974 /nfs/dbraw/zinc/32/89/74/455328974.db2.gz NCVTUJZIKVRLOH-GFCCVEGCSA-N 1 0 347.444 3.385 20 5 EGBDRO COc1cc(C[NH2+][C@@H](C)[C@H]2COc3ccccc32)c([N+](=O)[O-])cc1F ZINC000184408802 455377354 /nfs/dbraw/zinc/37/73/54/455377354.db2.gz XSISGYNQXSQQPO-SMDDNHRTSA-N 1 0 346.358 3.397 20 5 EGBDRO CC(C)[NH+](CCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000265832889 455389612 /nfs/dbraw/zinc/38/96/12/455389612.db2.gz SYLQHYXZCGUBBZ-UHFFFAOYSA-N 1 0 335.448 3.107 20 5 EGBDRO C[C@@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)C[NH+]1CCCCC1 ZINC000265862450 455395338 /nfs/dbraw/zinc/39/53/38/455395338.db2.gz ZLVXSWSAFBNUMV-HNNXBMFYSA-N 1 0 347.459 3.111 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)N[C@@H]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000245913489 455398329 /nfs/dbraw/zinc/39/83/29/455398329.db2.gz WAMLREUQFHGCEB-IVMMDQJWSA-N 1 0 333.432 3.249 20 5 EGBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000265939254 455411081 /nfs/dbraw/zinc/41/10/81/455411081.db2.gz HEJSGGQECJSEDU-XJKSGUPXSA-N 1 0 347.459 3.305 20 5 EGBDRO C[C@@H](c1cccs1)[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182222613 455464474 /nfs/dbraw/zinc/46/44/74/455464474.db2.gz PDMGTAMGFGKNCL-STQMWFEESA-N 1 0 336.413 3.089 20 5 EGBDRO Cc1ccc(C[C@@H](CO)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000191582148 455499899 /nfs/dbraw/zinc/49/98/99/455499899.db2.gz ZPKBXSBATZCMPT-QAPCUYQASA-N 1 0 328.412 3.466 20 5 EGBDRO Cc1ccc(C[C@H](CO)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000191585207 455501023 /nfs/dbraw/zinc/50/10/23/455501023.db2.gz QBJGNLJZEVSURS-NVXWUHKLSA-N 1 0 328.412 3.466 20 5 EGBDRO Cc1cccc(C(=O)NC2CC[NH+](C3CCCC3)CC2)c1[N+](=O)[O-] ZINC000267124431 455505146 /nfs/dbraw/zinc/50/51/46/455505146.db2.gz BFQCVOQXSAFKSF-UHFFFAOYSA-N 1 0 331.416 3.040 20 5 EGBDRO C[C@H](O)[C@@](C)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000191711881 455511607 /nfs/dbraw/zinc/51/16/07/455511607.db2.gz RAXNKPOYHDYZGM-HNAYVOBHSA-N 1 0 328.412 3.314 20 5 EGBDRO CCCC[C@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000191828738 455523709 /nfs/dbraw/zinc/52/37/09/455523709.db2.gz CAWMPQYYTLRYOG-ZFWWWQNUSA-N 1 0 349.431 3.490 20 5 EGBDRO CS[C@@H]1CCCC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000247013112 455543041 /nfs/dbraw/zinc/54/30/41/455543041.db2.gz XNXPFMFQOSGPBY-SWLSCSKDSA-N 1 0 337.445 3.139 20 5 EGBDRO CC[NH+](CC)[C@H]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000283987741 455620555 /nfs/dbraw/zinc/62/05/55/455620555.db2.gz MQRXNOFQJNGOOV-NSHDSACASA-N 1 0 340.811 3.196 20 5 EGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@@H]1COC2(CCCC2)O1 ZINC000271392102 455620547 /nfs/dbraw/zinc/62/05/47/455620547.db2.gz GDYQQKVIRROLPH-CYBMUJFWSA-N 1 0 326.780 3.024 20 5 EGBDRO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)c1 ZINC000268231454 455625150 /nfs/dbraw/zinc/62/51/50/455625150.db2.gz FCDRUUSQXDQATC-RHSMWYFYSA-N 1 0 346.383 3.155 20 5 EGBDRO CN(c1ncc([N+](=O)[O-])s1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000192474129 455626176 /nfs/dbraw/zinc/62/61/76/455626176.db2.gz JAKDMCDCBQAHDR-CQSZACIVSA-N 1 0 332.429 3.152 20 5 EGBDRO C[N@H+]1C[C@H]2CN(C(=O)c3cc4ccccc4c4cccnc34)C[C@H]2C1 ZINC000192491209 455630050 /nfs/dbraw/zinc/63/00/50/455630050.db2.gz YQYRVAASPCXNKC-IYBDPMFKSA-N 1 0 331.419 3.022 20 5 EGBDRO CC(C)N1CCC[C@H]([N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)C1=O ZINC000192552599 455641438 /nfs/dbraw/zinc/64/14/38/455641438.db2.gz QKRYMMIVUIXOMD-KRWDZBQOSA-N 1 0 333.432 3.205 20 5 EGBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000192597277 455649670 /nfs/dbraw/zinc/64/96/70/455649670.db2.gz OMCNLVRBWAJCJN-MRXNPFEDSA-N 1 0 343.431 3.196 20 5 EGBDRO C[C@H](O)C[C@H](C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccccc1 ZINC000284222032 455653589 /nfs/dbraw/zinc/65/35/89/455653589.db2.gz UDOJRNFNWSPRBH-GRDNDAEWSA-N 1 0 343.427 3.382 20 5 EGBDRO C[C@H](NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000271488582 455656954 /nfs/dbraw/zinc/65/69/54/455656954.db2.gz KBYKQOOFDKNBNA-ZOCIIQOWSA-N 1 0 347.459 3.013 20 5 EGBDRO C[C@H]1C[N@H+](CCCNc2ccc3cc([N+](=O)[O-])ccc3n2)CCCO1 ZINC000277813028 455674284 /nfs/dbraw/zinc/67/42/84/455674284.db2.gz YJKUWSZJGUREHY-AWEZNQCLSA-N 1 0 344.415 3.056 20 5 EGBDRO CC(C)n1nccc1[C@H]1OCC[C@@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000284401761 455680054 /nfs/dbraw/zinc/68/00/54/455680054.db2.gz CFWZRVSAILQXRT-WFASDCNBSA-N 1 0 336.417 3.054 20 5 EGBDRO O=[N+]([O-])c1ccc2nc(NCC3CC[NH+](C4CC4)CC3)ccc2c1 ZINC000277857191 455687498 /nfs/dbraw/zinc/68/74/98/455687498.db2.gz KRUKPNISCADAON-UHFFFAOYSA-N 1 0 326.400 3.429 20 5 EGBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000248373579 455708568 /nfs/dbraw/zinc/70/85/68/455708568.db2.gz JWDBVEKXIAFROJ-IAGOWNOFSA-N 1 0 342.395 3.172 20 5 EGBDRO C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000278024898 455736510 /nfs/dbraw/zinc/73/65/10/455736510.db2.gz WQUSDWKFWJDGPB-DZGCQCFKSA-N 1 0 349.431 3.330 20 5 EGBDRO CC[NH+](CC)CCCNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000292773783 455754484 /nfs/dbraw/zinc/75/44/84/455754484.db2.gz UDXCZOUXNIJJJE-UHFFFAOYSA-N 1 0 347.337 3.075 20 5 EGBDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2cc(N)ccc2[N+](=O)[O-])C1 ZINC000193431288 455759066 /nfs/dbraw/zinc/75/90/66/455759066.db2.gz JOEVZRCQLMILMR-GJZGRUSLSA-N 1 0 332.448 3.268 20 5 EGBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285306324 455821748 /nfs/dbraw/zinc/82/17/48/455821748.db2.gz SGYFASIDGHSVFJ-WDEREUQCSA-N 1 0 330.344 3.497 20 5 EGBDRO COC(=O)c1ccc([C@H](C)[N@H+](C)CCc2ccccc2[N+](=O)[O-])o1 ZINC000285409053 455840208 /nfs/dbraw/zinc/84/02/08/455840208.db2.gz URMJGNQOKUACSP-LBPRGKRZSA-N 1 0 332.356 3.210 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000194480207 455848217 /nfs/dbraw/zinc/84/82/17/455848217.db2.gz BJRXVUCYLJXNDO-OKILXGFUSA-N 1 0 347.459 3.390 20 5 EGBDRO CCC[C@@]1([NH2+]CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CCOC1 ZINC000285482353 455854520 /nfs/dbraw/zinc/85/45/20/455854520.db2.gz IFVOYDBUPLFQAS-GOSISDBHSA-N 1 0 345.399 3.341 20 5 EGBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2C[C@H](c3ccccc3)[C@H]3CCC[C@H]32)n1 ZINC000285549459 455867863 /nfs/dbraw/zinc/86/78/63/455867863.db2.gz UNHUQYNTLMHNEA-BRWVUGGUSA-N 1 0 326.400 3.059 20 5 EGBDRO C[NH+](C)CCC1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000285895026 455938259 /nfs/dbraw/zinc/93/82/59/455938259.db2.gz GJSDZAXGPBSUHS-UHFFFAOYSA-N 1 0 327.375 3.037 20 5 EGBDRO CO[C@]1(C)CCC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000280338848 455950649 /nfs/dbraw/zinc/95/06/49/455950649.db2.gz IFRWOQJEUJJYFY-QGZVFWFLSA-N 1 0 346.387 3.036 20 5 EGBDRO [NH3+]C[C@@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000261890710 455966172 /nfs/dbraw/zinc/96/61/72/455966172.db2.gz ZQPLYVUHZMSBAG-WBVHZDCISA-N 1 0 345.830 3.423 20 5 EGBDRO Cc1cc(NC(=O)NCCC[NH+]2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000195661388 455992826 /nfs/dbraw/zinc/99/28/26/455992826.db2.gz UJROUADXRNXYQU-UHFFFAOYSA-N 1 0 334.420 3.147 20 5 EGBDRO COC[C@@H](C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)OC ZINC000272632592 456019599 /nfs/dbraw/zinc/01/95/99/456019599.db2.gz BGEZOEIEGPEMNM-GFCCVEGCSA-N 1 0 336.413 3.074 20 5 EGBDRO CCCC[N@@H+]1CCCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1C(=O)NC ZINC000217150535 456031705 /nfs/dbraw/zinc/03/17/05/456031705.db2.gz LGFBZQJWVAUURR-OAHLLOKOSA-N 1 0 348.447 3.021 20 5 EGBDRO C[S@@](=O)C1(C[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCC1 ZINC000280712031 456036308 /nfs/dbraw/zinc/03/63/08/456036308.db2.gz UEKLDFUQDVNHSJ-XMMPIXPASA-N 1 0 348.424 3.246 20 5 EGBDRO C[NH+](C)[C@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000225452218 456084614 /nfs/dbraw/zinc/08/46/14/456084614.db2.gz PZRJBNPIGKRFAE-PWSUYJOCSA-N 1 0 329.347 3.481 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1C[C@@H]2CCCC[N@H+]2C[C@@H]1C ZINC000332517607 456086055 /nfs/dbraw/zinc/08/60/55/456086055.db2.gz KSUVJXCCDGBKFB-HOCLYGCPSA-N 1 0 345.443 3.219 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C3CCCC3)CC2)cc1OC(F)F ZINC000301381221 456104540 /nfs/dbraw/zinc/10/45/40/456104540.db2.gz ZEESBLIFYYBFRM-UHFFFAOYSA-N 1 0 341.358 3.261 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000272933813 456116257 /nfs/dbraw/zinc/11/62/57/456116257.db2.gz QQEFKNVLCYJSJG-HUUCEWRRSA-N 1 0 345.443 3.286 20 5 EGBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000281078379 456128042 /nfs/dbraw/zinc/12/80/42/456128042.db2.gz JBPGDBUHTUMVKW-RYUDHWBXSA-N 1 0 341.358 3.337 20 5 EGBDRO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000281136624 456144001 /nfs/dbraw/zinc/14/40/01/456144001.db2.gz YXKWKZVAMUGQAB-NUJGCVRESA-N 1 0 348.443 3.379 20 5 EGBDRO COC[C@@H]1CC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000271154517 456144591 /nfs/dbraw/zinc/14/45/91/456144591.db2.gz CIWXMEAGVNMUIY-GFCCVEGCSA-N 1 0 333.413 3.187 20 5 EGBDRO CCN(C)C(=O)[C@H](C)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000188896846 456163941 /nfs/dbraw/zinc/16/39/41/456163941.db2.gz WOTTWSOSPMOCOH-LBPRGKRZSA-N 1 0 347.440 3.280 20 5 EGBDRO Cc1ccc(NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000273065923 456165663 /nfs/dbraw/zinc/16/56/63/456165663.db2.gz DSBMGXZLIZXVGK-KRWDZBQOSA-N 1 0 341.411 3.082 20 5 EGBDRO Cc1nc(NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000301667262 456178630 /nfs/dbraw/zinc/17/86/30/456178630.db2.gz OWBZGGFCUJDOLF-INIZCTEOSA-N 1 0 326.400 3.375 20 5 EGBDRO CN(C)c1cccnc1C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000289922533 456181387 /nfs/dbraw/zinc/18/13/87/456181387.db2.gz UYUMDXBOQSLSDW-INIZCTEOSA-N 1 0 340.427 3.167 20 5 EGBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H]1CCOC(C)(C)C1 ZINC000289978595 456203662 /nfs/dbraw/zinc/20/36/62/456203662.db2.gz XNWFLUGEUCKSLM-AWEZNQCLSA-N 1 0 337.376 3.283 20 5 EGBDRO O=[N+]([O-])c1cc(F)c(N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(F)c1 ZINC000301782711 456214185 /nfs/dbraw/zinc/21/41/85/456214185.db2.gz JZDJAEAJGMDOOL-ZBEGNZNMSA-N 1 0 337.370 3.326 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000263817919 456233485 /nfs/dbraw/zinc/23/34/85/456233485.db2.gz PEYKMGHLBJVYBZ-HWKANZROSA-N 1 0 343.349 3.224 20 5 EGBDRO O=[N+]([O-])c1ccc(OCCC[NH+]2CCC([C@H]3CCCO3)CC2)cc1 ZINC000189185305 456248895 /nfs/dbraw/zinc/24/88/95/456248895.db2.gz KHTVPMGDBGFFRR-GOSISDBHSA-N 1 0 334.416 3.255 20 5 EGBDRO CCc1nn(C)c(NC[C@H](C(C)C)[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000301941958 456255429 /nfs/dbraw/zinc/25/54/29/456255429.db2.gz WNZJZALIHXERNL-OAHLLOKOSA-N 1 0 337.468 3.059 20 5 EGBDRO CC(C)[C@H](CCO)[NH2+]Cc1cc(=O)oc2ccc3ccccc3c12 ZINC000274575097 456262071 /nfs/dbraw/zinc/26/20/71/456262071.db2.gz CVXFIRYENHEIOZ-KRWDZBQOSA-N 1 0 325.408 3.443 20 5 EGBDRO C[N@H+](CCO)Cc1cc(NCc2cccc([N+](=O)[O-])c2)ccc1Cl ZINC000290195878 456264262 /nfs/dbraw/zinc/26/42/62/456264262.db2.gz UDNQTZWLPRPXOH-UHFFFAOYSA-N 1 0 349.818 3.284 20 5 EGBDRO CCOC(=O)[C@H]1CCCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000302094751 456286417 /nfs/dbraw/zinc/28/64/17/456286417.db2.gz RKUQZKLKXRXSCR-ZDUSSCGKSA-N 1 0 343.383 3.231 20 5 EGBDRO CC(=O)NCC[C@H]1CCC[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000347666308 456290846 /nfs/dbraw/zinc/29/08/46/456290846.db2.gz RYCNZZSXBVMJIH-GOEBONIOSA-N 1 0 333.432 3.202 20 5 EGBDRO C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000281787421 456319355 /nfs/dbraw/zinc/31/93/55/456319355.db2.gz XNLNVVWZTCNQMF-NSHDSACASA-N 1 0 342.321 3.031 20 5 EGBDRO C[NH+](C)CCN(Cc1ccccc1)c1ncc([N+](=O)[O-])cc1Cl ZINC000347731055 456335427 /nfs/dbraw/zinc/33/54/27/456335427.db2.gz CCYYQQOGWHPVOX-UHFFFAOYSA-N 1 0 334.807 3.211 20 5 EGBDRO Cc1cc([C@H]2CCC[N@@H+]2CCC(=O)Nc2ccccc2[N+](=O)[O-])on1 ZINC000337339274 456346964 /nfs/dbraw/zinc/34/69/64/456346964.db2.gz RHPOGRAEMUYDQD-OAHLLOKOSA-N 1 0 344.371 3.057 20 5 EGBDRO C[C@](O)(C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1ccco1 ZINC000290928076 456469909 /nfs/dbraw/zinc/46/99/09/456469909.db2.gz RNBDLJNVWRPPMJ-AWEZNQCLSA-N 1 0 345.182 3.492 20 5 EGBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1cccc(-n2ccnn2)c1 ZINC000348126940 456502005 /nfs/dbraw/zinc/50/20/05/456502005.db2.gz RFFGXTJTLUQNIG-AWEZNQCLSA-N 1 0 337.383 3.069 20 5 EGBDRO COc1ccc(NC(=O)CC[N@H+](C)[C@@H](C)C2(C)CC2)c([N+](=O)[O-])c1 ZINC000298640753 456507193 /nfs/dbraw/zinc/50/71/93/456507193.db2.gz PQWSVMASWQKEHZ-LBPRGKRZSA-N 1 0 335.404 3.052 20 5 EGBDRO O=[N+]([O-])c1cc2ccccc2nc1N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000276650814 456543082 /nfs/dbraw/zinc/54/30/82/456543082.db2.gz QSJXQYAPXAVELT-OAHLLOKOSA-N 1 0 326.400 3.208 20 5 EGBDRO CC(C)n1nccc1[C@@H]1OCC[C@@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000343381146 456576037 /nfs/dbraw/zinc/57/60/37/456576037.db2.gz CFWZRVSAILQXRT-SWLSCSKDSA-N 1 0 336.417 3.054 20 5 EGBDRO Cc1cnc(N[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)c([N+](=O)[O-])c1 ZINC000310382808 456582131 /nfs/dbraw/zinc/58/21/31/456582131.db2.gz PSWOTHKOYSNLPG-HOCLYGCPSA-N 1 0 326.400 3.373 20 5 EGBDRO CCCN(CC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000340629605 456583519 /nfs/dbraw/zinc/58/35/19/456583519.db2.gz ZHQVISNWCJJQFT-UHFFFAOYSA-N 1 0 347.337 3.027 20 5 EGBDRO C[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1ccc2n[nH]cc2c1 ZINC000353264631 456597095 /nfs/dbraw/zinc/59/70/95/456597095.db2.gz VPNBCWYXDGZRJH-LBPRGKRZSA-N 1 0 326.356 3.201 20 5 EGBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000353299909 456622690 /nfs/dbraw/zinc/62/26/90/456622690.db2.gz GPELONPPUFLVAZ-LBPRGKRZSA-N 1 0 340.811 3.244 20 5 EGBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2c2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000276934511 456624886 /nfs/dbraw/zinc/62/48/86/456624886.db2.gz AFNZIXXYTQYRHD-WMLDXEAASA-N 1 0 326.400 3.064 20 5 EGBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000291462935 456650560 /nfs/dbraw/zinc/65/05/60/456650560.db2.gz IIMUMJUDUYGHCD-SNVBAGLBSA-N 1 0 346.214 3.068 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N(CC(C)C)C2CC[NH+](C)CC2)c1 ZINC000291587627 456687335 /nfs/dbraw/zinc/68/73/35/456687335.db2.gz KYAZTDQYRHYFES-UHFFFAOYSA-N 1 0 333.432 3.096 20 5 EGBDRO [NH3+]CC1CCC(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 ZINC000343606732 456737755 /nfs/dbraw/zinc/73/77/55/456737755.db2.gz INSJXMRIYLHQIF-UHFFFAOYSA-N 1 0 347.440 3.304 20 5 EGBDRO C[N@H+](Cc1ccccc1)C1CN(c2ccc([N+](=O)[O-])c3cccnc32)C1 ZINC000343605193 456738482 /nfs/dbraw/zinc/73/84/82/456738482.db2.gz IRGLFBXBVYEHSN-UHFFFAOYSA-N 1 0 348.406 3.464 20 5 EGBDRO C[NH+](C)CC[C@H](NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)C(C)(C)C ZINC000340918887 456760645 /nfs/dbraw/zinc/76/06/45/456760645.db2.gz OWQYQLQXQUXTTF-HNNXBMFYSA-N 1 0 346.431 3.172 20 5 EGBDRO CC(C)c1ccc(C[N@@H+]2C[C@H](N3CCOCC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000348556005 456764189 /nfs/dbraw/zinc/76/41/89/456764189.db2.gz OBELJRRWMMFYFF-DOTOQJQBSA-N 1 0 347.459 3.013 20 5 EGBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1Cc1cccc([N+](=O)[O-])c1 ZINC000353573138 456773181 /nfs/dbraw/zinc/77/31/81/456773181.db2.gz WPOQYARYTTXVNI-MRXNPFEDSA-N 1 0 325.412 3.301 20 5 EGBDRO C[C@@H](c1cccnc1)[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000299730561 456776763 /nfs/dbraw/zinc/77/67/63/456776763.db2.gz WVVKHIJQBRWAEW-ZDUSSCGKSA-N 1 0 328.372 3.011 20 5 EGBDRO COCC[NH+]1CCC(Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000301101878 456796981 /nfs/dbraw/zinc/79/69/81/456796981.db2.gz IETHRVNRXUMOTG-UHFFFAOYSA-N 1 0 347.337 3.136 20 5 EGBDRO CC[N@@H+](Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1)C[C@@H](C)O ZINC000348710634 456824104 /nfs/dbraw/zinc/82/41/04/456824104.db2.gz PBACOOCCHACWAP-GFCCVEGCSA-N 1 0 334.372 3.066 20 5 EGBDRO O=[N+]([O-])c1cccnc1NCC1([NH+]2CCSCC2)CCCCC1 ZINC000301233293 456829626 /nfs/dbraw/zinc/82/96/26/456829626.db2.gz KMQFWXPRBYPAOG-UHFFFAOYSA-N 1 0 336.461 3.153 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](n2cccn2)C1 ZINC000292042753 456838172 /nfs/dbraw/zinc/83/81/72/456838172.db2.gz ZSQVBGQXASNWMV-MRXNPFEDSA-N 1 0 330.388 3.026 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2ccc(CN3C[C@H]4CCC[NH2+][C@@H]4C3)o2)c1 ZINC000353668936 456843957 /nfs/dbraw/zinc/84/39/57/456843957.db2.gz GVZVWRHGUDYBFM-RHSMWYFYSA-N 1 0 327.384 3.039 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3cccc4cc[nH]c43)C2)nc1 ZINC000353717328 456869241 /nfs/dbraw/zinc/86/92/41/456869241.db2.gz MQLRIWYSMXKDRU-OAHLLOKOSA-N 1 0 337.383 3.158 20 5 EGBDRO CCc1ccc(C(=O)NCC[C@H](C)[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000344947488 456873704 /nfs/dbraw/zinc/87/37/04/456873704.db2.gz VSGMHRJSSSGPOE-AWEZNQCLSA-N 1 0 333.432 3.152 20 5 EGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC[C@H](O)C(C)C ZINC000349211798 456914394 /nfs/dbraw/zinc/91/43/94/456914394.db2.gz YOGWDZSQPUOBNF-HIFRSBDPSA-N 1 0 326.462 3.462 20 5 EGBDRO C[NH+](C)CCN(C/C=C/c1ccccc1[N+](=O)[O-])Cc1ccccn1 ZINC000349298303 456935758 /nfs/dbraw/zinc/93/57/58/456935758.db2.gz OVYBBMMRFSHGTH-VQHVLOKHSA-N 1 0 340.427 3.067 20 5 EGBDRO C[C@H](CO)[N@H+](C)Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000349303902 456937358 /nfs/dbraw/zinc/93/73/58/456937358.db2.gz ZLJQICIHHKHJLJ-CQSZACIVSA-N 1 0 329.400 3.175 20 5 EGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](c1nccn1C)C1CC1 ZINC000353874089 456944454 /nfs/dbraw/zinc/94/44/54/456944454.db2.gz XNTWHKXRHPOJSK-DYVFJYSZSA-N 1 0 328.416 3.390 20 5 EGBDRO C[C@@H]1CC[N@H+](C)CCN1C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000354001370 456998904 /nfs/dbraw/zinc/99/89/04/456998904.db2.gz OBPFFJYLBFWNGE-CYBMUJFWSA-N 1 0 333.432 3.059 20 5 EGBDRO C[C@H](NC(=O)c1ccccc1C[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000362621452 457010299 /nfs/dbraw/zinc/01/02/99/457010299.db2.gz HCLLOTSHWOJOEZ-ZDUSSCGKSA-N 1 0 327.384 3.147 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CCC([NH+]2CCCCC2)CC1 ZINC000349790156 457053528 /nfs/dbraw/zinc/05/35/28/457053528.db2.gz IAIPELLWUSWABB-UHFFFAOYSA-N 1 0 347.459 3.444 20 5 EGBDRO C/C=C\C[C@H](CO)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000349852925 457080683 /nfs/dbraw/zinc/08/06/83/457080683.db2.gz QXESGRJTIIZLIC-XQJDBVBESA-N 1 0 333.413 3.135 20 5 EGBDRO CC[C@@H](C)[NH2+][C@H](CNC(=O)c1cccc(C)c1[N+](=O)[O-])c1ccco1 ZINC000359550261 457095256 /nfs/dbraw/zinc/09/52/56/457095256.db2.gz XOPMFXRNKUJCKU-UKRRQHHQSA-N 1 0 345.399 3.355 20 5 EGBDRO C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1c1ccc([N+](=O)[O-])cn1 ZINC000346677864 457107523 /nfs/dbraw/zinc/10/75/23/457107523.db2.gz WKZZQDQIJKNXQL-GJZGRUSLSA-N 1 0 326.400 3.089 20 5 EGBDRO Cc1ccc(C(=O)N2CCC[C@H]([NH+]3[C@H](C)CC[C@H]3C)C2)cc1[N+](=O)[O-] ZINC000347046424 457202638 /nfs/dbraw/zinc/20/26/38/457202638.db2.gz CQCXPXBLGJUPTC-INMHGKMJSA-N 1 0 345.443 3.381 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000331731443 457241813 /nfs/dbraw/zinc/24/18/13/457241813.db2.gz PWLUENUFOXVZCY-HOTGVXAUSA-N 1 0 345.443 3.299 20 5 EGBDRO C[C@@H]1C[C@@H](C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CCO1 ZINC000332153664 457315626 /nfs/dbraw/zinc/31/56/26/457315626.db2.gz WICHOJFPUSSWOO-CABCVRRESA-N 1 0 334.416 3.253 20 5 EGBDRO Cn1nccc1[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000332343498 457353465 /nfs/dbraw/zinc/35/34/65/457353465.db2.gz PHRCCONOJFHCEH-ZDUSSCGKSA-N 1 0 334.807 3.361 20 5 EGBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)cc1 ZINC000352441395 457369762 /nfs/dbraw/zinc/36/97/62/457369762.db2.gz WYSISIHRCYKZSI-IAGOWNOFSA-N 1 0 332.400 3.007 20 5 EGBDRO O=[N+]([O-])c1cccc2ncnc(N[C@H]3CC[N@H+](Cc4ccccc4)C3)c21 ZINC000347404493 457403975 /nfs/dbraw/zinc/40/39/75/457403975.db2.gz XGDXUIVDRXAASO-HNNXBMFYSA-N 1 0 349.394 3.224 20 5 EGBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)Nc1ncnc2cccc([N+](=O)[O-])c21 ZINC000347428568 457422582 /nfs/dbraw/zinc/42/25/82/457422582.db2.gz KWUGSVZIJJDXOE-QWHCGFSZSA-N 1 0 329.404 3.070 20 5 EGBDRO CNc1c(C(=O)Nc2cc(C)cc(C[NH+](C)C)c2)cccc1[N+](=O)[O-] ZINC000360942974 457451844 /nfs/dbraw/zinc/45/18/44/457451844.db2.gz IGBTXJVIFATHGH-UHFFFAOYSA-N 1 0 342.399 3.259 20 5 EGBDRO Cn1cc(C[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)c(C(F)F)n1 ZINC000360954327 457462735 /nfs/dbraw/zinc/46/27/35/457462735.db2.gz LWNDGCLDMWVMIE-UHFFFAOYSA-N 1 0 338.358 3.378 20 5 EGBDRO CC(C)N(C(=O)CN(C)CCc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000352564710 457470948 /nfs/dbraw/zinc/47/09/48/457470948.db2.gz WIPLBZZBARFYNL-UHFFFAOYSA-N 1 0 347.459 3.249 20 5 EGBDRO C[N@H+](CC[C@@H]1CCCO1)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425448273 457558249 /nfs/dbraw/zinc/55/82/49/457558249.db2.gz RIKBTOHDGJYUHU-ZDUSSCGKSA-N 1 0 343.221 3.358 20 5 EGBDRO COC1([C@@H](C)[NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])CCC1 ZINC000425486484 457572692 /nfs/dbraw/zinc/57/26/92/457572692.db2.gz XTJJWKGWEYFPAW-SNVBAGLBSA-N 1 0 343.221 3.405 20 5 EGBDRO CCOc1cc(NCC2(SC)CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000357551154 457590523 /nfs/dbraw/zinc/59/05/23/457590523.db2.gz SKVCGNZYPRHVDF-UHFFFAOYSA-N 1 0 339.461 3.233 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C)c1cncc(F)c1 ZINC000361135324 457604637 /nfs/dbraw/zinc/60/46/37/457604637.db2.gz LSHXLSAVPHEFQM-LBPRGKRZSA-N 1 0 346.362 3.117 20 5 EGBDRO CC[N@H+](CCC1CCN(c2ncc([N+](=O)[O-])s2)CC1)CC1CC1 ZINC000409719715 457614915 /nfs/dbraw/zinc/61/49/15/457614915.db2.gz ZWZNYHQSQOWAHL-UHFFFAOYSA-N 1 0 338.477 3.390 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CC(=O)N(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000357802721 457695559 /nfs/dbraw/zinc/69/55/59/457695559.db2.gz WCEKNUVPHREFCL-ZBFHGGJFSA-N 1 0 339.395 3.359 20 5 EGBDRO CC[C@H]([NH2+]Cc1ccc(OCCO)cc1)c1cccc([N+](=O)[O-])c1 ZINC000358026493 457743747 /nfs/dbraw/zinc/74/37/47/457743747.db2.gz QISAEEQTQBDIAL-SFHVURJKSA-N 1 0 330.384 3.207 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](C)C[C@@H]1[C@H](C)O ZINC000443341426 457750505 /nfs/dbraw/zinc/75/05/05/457750505.db2.gz IQISOAVRVGBUTF-JKIFEVAISA-N 1 0 336.432 3.363 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCS[C@@H](c3ccccc3)C2)c1 ZINC000370999372 457754665 /nfs/dbraw/zinc/75/46/65/457754665.db2.gz QCWQJPQJVISZIK-ZWKOTPCHSA-N 1 0 344.436 3.418 20 5 EGBDRO C[C@H](NC(=O)NC(C)(C)CCC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000457849129 457849454 /nfs/dbraw/zinc/84/94/54/457849454.db2.gz KTRBQRUDAPPRLR-ZDUSSCGKSA-N 1 0 336.436 3.075 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000366605457 457867696 /nfs/dbraw/zinc/86/76/96/457867696.db2.gz CHQALROUMFXTJB-KSSFIOAISA-N 1 0 345.443 3.052 20 5 EGBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000426794059 457904829 /nfs/dbraw/zinc/90/48/29/457904829.db2.gz QFVMUZBYTMRMTR-OKILXGFUSA-N 1 0 345.399 3.015 20 5 EGBDRO CCO[C@@H]1C[C@H](N(C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1(C)C ZINC000444635289 457924449 /nfs/dbraw/zinc/92/44/49/457924449.db2.gz AGQDOZGDKYFIFP-LSDHHAIUSA-N 1 0 332.404 3.107 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(CN3CC[C@H]4[NH2+]CC[C@H]4C3)o2)cc1 ZINC000427134561 457946230 /nfs/dbraw/zinc/94/62/30/457946230.db2.gz ZKYQRJFJKXLASA-WMLDXEAASA-N 1 0 327.384 3.039 20 5 EGBDRO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000444773326 457973771 /nfs/dbraw/zinc/97/37/71/457973771.db2.gz RCGAPWWNINNVER-KGLIPLIRSA-N 1 0 349.431 3.298 20 5 EGBDRO Cc1cc(NC(=O)CNc2ccccc2[N+](=O)[O-])ccc1C[NH+](C)C ZINC000458263106 457992365 /nfs/dbraw/zinc/99/23/65/457992365.db2.gz AHOHGALBIRYWDF-UHFFFAOYSA-N 1 0 342.399 3.015 20 5 EGBDRO COc1cc(C[NH2+][C@@H]2Cc3ccccc3[C@@H]2OC)c([N+](=O)[O-])cc1F ZINC000411892117 458004302 /nfs/dbraw/zinc/00/43/02/458004302.db2.gz JDCMTLDOZLMICT-QAPCUYQASA-N 1 0 346.358 3.145 20 5 EGBDRO CO[C@](C)([C@H](C)[NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000411967267 458026045 /nfs/dbraw/zinc/02/60/45/458026045.db2.gz HXAFHWFOWMYCPI-SCLBCKFNSA-N 1 0 349.431 3.025 20 5 EGBDRO CN1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000435248397 458108980 /nfs/dbraw/zinc/10/89/80/458108980.db2.gz GKHDRHLJKHYJGA-UHFFFAOYSA-N 1 0 331.441 3.461 20 5 EGBDRO O=[N+]([O-])c1ccc(CN(Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000435392028 458135339 /nfs/dbraw/zinc/13/53/39/458135339.db2.gz VKQSUEQYQVVRPQ-GOSISDBHSA-N 1 0 340.427 3.134 20 5 EGBDRO C[NH2+]C[C@H]1CCCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000435398072 458138065 /nfs/dbraw/zinc/13/80/65/458138065.db2.gz MRBDYPPEDHYHQY-CYBMUJFWSA-N 1 0 346.456 3.150 20 5 EGBDRO Cc1noc(C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)c2ccccc2)n1 ZINC000428638834 458181288 /nfs/dbraw/zinc/18/12/88/458181288.db2.gz HBCHAYZPGQNQJK-KRWDZBQOSA-N 1 0 338.367 3.360 20 5 EGBDRO COc1ccc(NC(=O)C[N@H+](C)[C@@H](C)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000447398313 458293619 /nfs/dbraw/zinc/29/36/19/458293619.db2.gz QYQCVBGKDYXVIS-ZDUSSCGKSA-N 1 0 349.431 3.443 20 5 EGBDRO C[NH+](C)[C@@H]1CCC[C@@H](Nc2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000436384546 458297498 /nfs/dbraw/zinc/29/74/98/458297498.db2.gz GKVLKYYWDLPOCX-NXEZZACHSA-N 1 0 332.326 3.293 20 5 EGBDRO CC(C)[N@@H+]1C[C@H](C)[C@H](Nc2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000436415197 458301673 /nfs/dbraw/zinc/30/16/73/458301673.db2.gz WNHRBCWYISFTNV-GXSJLCMTSA-N 1 0 332.326 3.149 20 5 EGBDRO CCOc1ccccc1C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447529324 458305206 /nfs/dbraw/zinc/30/52/06/458305206.db2.gz LQXGOZJEFGZFBM-CVEARBPZSA-N 1 0 344.415 3.464 20 5 EGBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCCNc2ccccc2)n1 ZINC000447537217 458308018 /nfs/dbraw/zinc/30/80/18/458308018.db2.gz UBVVXUQOLSLLNC-IRXDYDNUSA-N 1 0 343.431 3.367 20 5 EGBDRO COc1cc(F)cc(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000447585025 458316111 /nfs/dbraw/zinc/31/61/11/458316111.db2.gz IQESCYTUPQFIKD-JKSUJKDBSA-N 1 0 348.378 3.213 20 5 EGBDRO Cc1c(NC(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)cccc1[N+](=O)[O-] ZINC000447912797 458365478 /nfs/dbraw/zinc/36/54/78/458365478.db2.gz KVKPNGCQDSMRCX-OAHLLOKOSA-N 1 0 334.420 3.145 20 5 EGBDRO C[C@@H](CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1C ZINC000429863917 458378756 /nfs/dbraw/zinc/37/87/56/458378756.db2.gz HIMVMWMVFGRSMP-GJZGRUSLSA-N 1 0 347.459 3.252 20 5 EGBDRO C[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1CC(C)(C)C1 ZINC000459743175 458466004 /nfs/dbraw/zinc/46/60/04/458466004.db2.gz PCLBNJDIGQRAJO-UHFFFAOYSA-N 1 0 325.796 3.307 20 5 EGBDRO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000430825013 458495845 /nfs/dbraw/zinc/49/58/45/458495845.db2.gz YKGZTIWMVNMGOK-OCCSQVGLSA-N 1 0 339.461 3.287 20 5 EGBDRO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000430826722 458496037 /nfs/dbraw/zinc/49/60/37/458496037.db2.gz XCAXCGBXCUXCOT-WBVHZDCISA-N 1 0 333.432 3.225 20 5 EGBDRO COc1ccc(OCC[N@@H+]2CC[C@@H]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000437829320 458498420 /nfs/dbraw/zinc/49/84/20/458498420.db2.gz OSBLOTQNBSDYRI-MRXNPFEDSA-N 1 0 342.395 3.299 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H](CO)Cc1ccc(C)cc1 ZINC000468610027 458528469 /nfs/dbraw/zinc/52/84/69/458528469.db2.gz RSMYNXWSCKQHPU-NXIIHZOPSA-N 1 0 340.423 3.500 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCC(=O)NC1CCCCC1 ZINC000468650857 458529463 /nfs/dbraw/zinc/52/94/63/458529463.db2.gz WHHNFFCOYXQCEW-NTCAYCPXSA-N 1 0 345.443 3.427 20 5 EGBDRO C[C@@H]1C[C@@H](c2cccnc2)[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000373582945 458540614 /nfs/dbraw/zinc/54/06/14/458540614.db2.gz LVYDKMXKUGJKGS-JEBQAFNWSA-N 1 0 327.384 3.106 20 5 EGBDRO CCOC(=O)C1CC[NH+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000470174325 458620951 /nfs/dbraw/zinc/62/09/51/458620951.db2.gz JYFVEULVAQSIHH-KAMYIIQDSA-N 1 0 332.400 3.273 20 5 EGBDRO C[C@H](c1nc(C2([NH3+])CCCCC2)no1)c1ccc([N+](=O)[O-])cc1F ZINC000424340341 458621335 /nfs/dbraw/zinc/62/13/35/458621335.db2.gz GGTOYAXPDJNVNU-JTQLQIEISA-N 1 0 334.351 3.387 20 5 EGBDRO CC(C)c1ccc(C(=O)NC[C@@H](C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000439414916 458699296 /nfs/dbraw/zinc/69/92/96/458699296.db2.gz NJYYXBSHRVRLIE-CQSZACIVSA-N 1 0 333.432 3.180 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000463954649 458725775 /nfs/dbraw/zinc/72/57/75/458725775.db2.gz MFBGHEFLYGWNGF-IUODEOHRSA-N 1 0 348.447 3.454 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000463968135 458727150 /nfs/dbraw/zinc/72/71/50/458727150.db2.gz LLTAMHBYSQUNBR-UHFFFAOYSA-N 1 0 348.447 3.455 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCC[N@@H+]1CCCC1(C)C ZINC000457062447 458852402 /nfs/dbraw/zinc/85/24/02/458852402.db2.gz VEXMVAQEASWYJN-UHFFFAOYSA-N 1 0 333.432 3.124 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]CCOC(F)(F)F)o2)c1 ZINC000473990038 458853202 /nfs/dbraw/zinc/85/32/02/458853202.db2.gz NLCQXMIGBUTUMH-UHFFFAOYSA-N 1 0 330.262 3.481 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCC[C@H]1CC(C)C ZINC000466662628 458911996 /nfs/dbraw/zinc/91/19/96/458911996.db2.gz ZCSAKNNTVYCMIJ-AWEZNQCLSA-N 1 0 349.431 3.443 20 5 EGBDRO COC[C@H](Cc1ccccc1)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000475141254 458922333 /nfs/dbraw/zinc/92/23/33/458922333.db2.gz VRDAOVAUNDFTOY-KRWDZBQOSA-N 1 0 332.375 3.423 20 5 EGBDRO COC(=O)[C@@H]1CC[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000475363902 458938019 /nfs/dbraw/zinc/93/80/19/458938019.db2.gz YBWAPBLDRKPKIH-IQRUHWCRSA-N 1 0 332.400 3.129 20 5 EGBDRO Cc1c(C[N@@H+]2CCC[C@@]2(CO)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000475674272 458957832 /nfs/dbraw/zinc/95/78/32/458957832.db2.gz JSOUGWHOSMIFQZ-FQEVSTJZSA-N 1 0 340.423 3.473 20 5 EGBDRO COc1cc(C[NH2+][C@H]2CC[C@H](F)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000519669766 458984034 /nfs/dbraw/zinc/98/40/34/458984034.db2.gz MDLDRFALFZDXNR-QWRGUYRKSA-N 1 0 348.321 3.228 20 5 EGBDRO CCc1ccc(C(=O)N[C@@H](C)C[NH+]2CCCCCC2)cc1[N+](=O)[O-] ZINC000476221829 458986562 /nfs/dbraw/zinc/98/65/62/458986562.db2.gz VBEZPVBUHCVKJG-AWEZNQCLSA-N 1 0 333.432 3.152 20 5 EGBDRO CCC[C@@H]([NH2+]C[C@@H](O)COc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000531944108 459004685 /nfs/dbraw/zinc/00/46/85/459004685.db2.gz RDEWBGKQAUVSPB-IEBWSBKVSA-N 1 0 344.411 3.466 20 5 EGBDRO COC(=O)c1cccc(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])c1 ZINC000577562128 459050062 /nfs/dbraw/zinc/05/00/62/459050062.db2.gz RBAMXNNUKOBUNZ-WEVVVXLNSA-N 1 0 326.352 3.184 20 5 EGBDRO CC[C@H]([NH2+][C@H]1CC[C@](O)(C(F)(F)F)C1)c1cccc([N+](=O)[O-])c1 ZINC000589950198 459055921 /nfs/dbraw/zinc/05/59/21/459055921.db2.gz YRNCGYJQEULOGZ-FPMFFAJLSA-N 1 0 332.322 3.481 20 5 EGBDRO C[S@](=O)c1ccc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000594498928 459062944 /nfs/dbraw/zinc/06/29/44/459062944.db2.gz NIDBOGUJADPHDD-MWTRTKDXSA-N 1 0 330.409 3.109 20 5 EGBDRO CC(C)[C@H](C[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000594519999 459076914 /nfs/dbraw/zinc/07/69/14/459076914.db2.gz VWIYHRSYNDOXAF-LBPRGKRZSA-N 1 0 328.434 3.360 20 5 EGBDRO O=[N+]([O-])c1cnc(N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c(C(F)(F)F)c1 ZINC000594596662 459103956 /nfs/dbraw/zinc/10/39/56/459103956.db2.gz AZVSQQMRWZSSAI-STQMWFEESA-N 1 0 344.337 3.437 20 5 EGBDRO C[C@H]([NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C1CCCCC1 ZINC000558392872 459152174 /nfs/dbraw/zinc/15/21/74/459152174.db2.gz GRIABQKFKOIWHL-ZDUSSCGKSA-N 1 0 347.415 3.451 20 5 EGBDRO CCC(CC)Nc1cc[nH+]cc1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000558438478 459160688 /nfs/dbraw/zinc/16/06/88/459160688.db2.gz SMILCCUNMVTVNV-UHFFFAOYSA-N 1 0 342.399 3.193 20 5 EGBDRO Cc1cccc(C[N@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1C ZINC000521653547 459170796 /nfs/dbraw/zinc/17/07/96/459170796.db2.gz URAREBYOLVIZIF-GOSISDBHSA-N 1 0 344.411 3.083 20 5 EGBDRO CC(C)(C)[N@@H+]1CC[C@H](NCc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000594956165 459192701 /nfs/dbraw/zinc/19/27/01/459192701.db2.gz HMZAPIUXOKJWPT-LBPRGKRZSA-N 1 0 343.374 3.159 20 5 EGBDRO Cc1cc(N2C[C@@H](C)O[C@H](C3CC3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000480381597 459195661 /nfs/dbraw/zinc/19/56/61/459195661.db2.gz GZVZBLVROJFKFQ-XIKOKIGWSA-N 1 0 327.384 3.455 20 5 EGBDRO CCCN1CC[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000594991850 459206292 /nfs/dbraw/zinc/20/62/92/459206292.db2.gz LHRAMHHSKIEXLT-OAHLLOKOSA-N 1 0 329.400 3.429 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@H](C)C[NH+]1CCCCC1 ZINC000595017760 459217163 /nfs/dbraw/zinc/21/71/63/459217163.db2.gz OENUITCNTNUSOQ-LSDHHAIUSA-N 1 0 335.448 3.376 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CCCCc3ccccc3)C2)nc1 ZINC000480768975 459217515 /nfs/dbraw/zinc/21/75/15/459217515.db2.gz HGNNMYYJBMHAFA-QGZVFWFLSA-N 1 0 340.427 3.499 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H]1CCCCN1C1CC1 ZINC000595044116 459226380 /nfs/dbraw/zinc/22/63/80/459226380.db2.gz KZGCCGLJXRAJLY-BBRMVZONSA-N 1 0 333.432 3.271 20 5 EGBDRO CO[C@H](C[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000595093380 459243083 /nfs/dbraw/zinc/24/30/83/459243083.db2.gz APAVRJFOSHDYRA-SUMWQHHRSA-N 1 0 349.431 3.107 20 5 EGBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCCc1ccco1 ZINC000595093538 459243249 /nfs/dbraw/zinc/24/32/49/459243249.db2.gz LGBGZPMJSHZDOV-CYBMUJFWSA-N 1 0 331.372 3.127 20 5 EGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000595104297 459246977 /nfs/dbraw/zinc/24/69/77/459246977.db2.gz OQWPVPGCFVKZPE-GJZGRUSLSA-N 1 0 347.459 3.153 20 5 EGBDRO CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000559358722 459255125 /nfs/dbraw/zinc/25/51/25/459255125.db2.gz MVVUIBFRLUKTQS-AWEZNQCLSA-N 1 0 344.415 3.023 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H]3CCCC[C@H]3NC2=O)cc1[N+](=O)[O-] ZINC000595418959 459293700 /nfs/dbraw/zinc/29/37/00/459293700.db2.gz GVOVNXZBHOWBOE-ARLBYUKCSA-N 1 0 331.416 3.001 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]3CCCC[C@@H]3NC2=O)cc1[N+](=O)[O-] ZINC000595418960 459293986 /nfs/dbraw/zinc/29/39/86/459293986.db2.gz GVOVNXZBHOWBOE-DRPJVOAASA-N 1 0 331.416 3.001 20 5 EGBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCCC3(CCCCC3)C2)c1 ZINC000523590848 459315013 /nfs/dbraw/zinc/31/50/13/459315013.db2.gz GQOZYZFIOHZOSZ-KRWDZBQOSA-N 1 0 348.443 3.381 20 5 EGBDRO CC[NH+]1CCC(CNC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)CC1 ZINC000582156507 459316627 /nfs/dbraw/zinc/31/66/27/459316627.db2.gz LSOKTGKDIMVAFN-UHFFFAOYSA-N 1 0 334.420 3.065 20 5 EGBDRO CN(C(=O)C[N@@H+]1CC(C)(C)[C@H]2CCC[C@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000568658565 459324391 /nfs/dbraw/zinc/32/43/91/459324391.db2.gz WOVFAZFOQKPMFS-JKSUJKDBSA-N 1 0 331.416 3.068 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000591298973 459349283 /nfs/dbraw/zinc/34/92/83/459349283.db2.gz QVTANEYOLGHINH-LSDHHAIUSA-N 1 0 346.431 3.147 20 5 EGBDRO [NH3+]Cc1cccc(NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000591309929 459350148 /nfs/dbraw/zinc/35/01/48/459350148.db2.gz ROGNIRFAGBLYBT-UHFFFAOYSA-N 1 0 340.383 3.250 20 5 EGBDRO CC(C)[C@@H]1CCC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000524484218 459366296 /nfs/dbraw/zinc/36/62/96/459366296.db2.gz NUYDYVJWYZLJRA-WBVHZDCISA-N 1 0 336.432 3.093 20 5 EGBDRO Cc1ccc(C[NH2+]C[C@@](C)(CO)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000483662186 459380444 /nfs/dbraw/zinc/38/04/44/459380444.db2.gz OSECOJVMECIQDB-IBGZPJMESA-N 1 0 328.412 3.234 20 5 EGBDRO [NH3+]C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1)C1CC1 ZINC000591678702 459421047 /nfs/dbraw/zinc/42/10/47/459421047.db2.gz DWKJTLFTELREKO-OAHLLOKOSA-N 1 0 349.456 3.097 20 5 EGBDRO CC[C@@H](CC(F)(F)F)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000582901172 459447788 /nfs/dbraw/zinc/44/77/88/459447788.db2.gz PEWLUDYUNXDHBD-JTQLQIEISA-N 1 0 333.310 3.244 20 5 EGBDRO COc1ccc(NC(=O)[C@@H](C)[NH2+]C2(CC(C)C)CC2)c([N+](=O)[O-])c1 ZINC000595831050 459456799 /nfs/dbraw/zinc/45/67/99/459456799.db2.gz LJJQWXZBAIMRJO-GFCCVEGCSA-N 1 0 335.404 3.099 20 5 EGBDRO O=c1[nH]ccc(NCC2([NH+]3CCCCC3)CCCCC2)c1[N+](=O)[O-] ZINC000596054475 459503454 /nfs/dbraw/zinc/50/34/54/459503454.db2.gz OHILJPAEJVFEME-UHFFFAOYSA-N 1 0 334.420 3.296 20 5 EGBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C1CCC(C2CCC2)CC1 ZINC000596067215 459508042 /nfs/dbraw/zinc/50/80/42/459508042.db2.gz VPMJHCLQJCFKAV-OFLPRAFFSA-N 1 0 348.443 3.283 20 5 EGBDRO C[NH+]1CCC(CNc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000596104297 459522380 /nfs/dbraw/zinc/52/23/80/459522380.db2.gz AAVLKTTXFSQNGE-UHFFFAOYSA-N 1 0 328.210 3.111 20 5 EGBDRO CC[N@H+](CCSC)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000592200680 459549326 /nfs/dbraw/zinc/54/93/26/459549326.db2.gz OMVDSDJJLFQHCQ-JTQLQIEISA-N 1 0 345.852 3.260 20 5 EGBDRO CC[C@H]1CN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[C@H]1[NH3+] ZINC000592427764 459598848 /nfs/dbraw/zinc/59/88/48/459598848.db2.gz ZPVAIOXJHSZGAC-BLLLJJGKSA-N 1 0 346.456 3.278 20 5 EGBDRO Cc1ccc(C[C@H](CO)[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000527505689 459650225 /nfs/dbraw/zinc/65/02/25/459650225.db2.gz DEPJJPFPVHIGQU-DOTOQJQBSA-N 1 0 328.412 3.466 20 5 EGBDRO COC(=O)c1ccc(-c2ccc(CC[NH+](C)C)cc2)c([N+](=O)[O-])c1 ZINC000596635044 459707585 /nfs/dbraw/zinc/70/75/85/459707585.db2.gz AWMOENIPKQEFPR-UHFFFAOYSA-N 1 0 328.368 3.153 20 5 EGBDRO CC(C)C[N@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000584319888 459708577 /nfs/dbraw/zinc/70/85/77/459708577.db2.gz SXFGQWWIKGQDLK-UHFFFAOYSA-N 1 0 348.184 3.287 20 5 EGBDRO CC(C)[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000544070236 459724242 /nfs/dbraw/zinc/72/42/42/459724242.db2.gz MNXVYMIFOHLFBH-LPHOPBHVSA-N 1 0 344.411 3.321 20 5 EGBDRO CC[C@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@@H](CC)CO1 ZINC000593058821 459759350 /nfs/dbraw/zinc/75/93/50/459759350.db2.gz PBCDVKHDXLWWOQ-HOCLYGCPSA-N 1 0 349.431 3.121 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000596787110 459762797 /nfs/dbraw/zinc/76/27/97/459762797.db2.gz DRFQPAQWGSCKBU-CQSZACIVSA-N 1 0 348.447 3.454 20 5 EGBDRO CCC[C@@H]1CCCC[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000544527960 459765874 /nfs/dbraw/zinc/76/58/74/459765874.db2.gz FAPZSRBRUHYXTA-OAHLLOKOSA-N 1 0 331.416 3.139 20 5 EGBDRO CN(CC[NH+]1CCCCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000593136996 459784789 /nfs/dbraw/zinc/78/47/89/459784789.db2.gz ZFEOAQIKWMKNHO-UHFFFAOYSA-N 1 0 340.811 3.198 20 5 EGBDRO C[N@H+](CCC(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21)C1CCCCC1 ZINC000545308538 459823199 /nfs/dbraw/zinc/82/31/99/459823199.db2.gz MMDZEMIJMGJSEG-UHFFFAOYSA-N 1 0 345.403 3.064 20 5 EGBDRO Cn1cc(C[N@H+](C)CC2=CCSC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000597244017 459893176 /nfs/dbraw/zinc/89/31/76/459893176.db2.gz KICRFZAKOSEZJK-UHFFFAOYSA-N 1 0 344.440 3.100 20 5 EGBDRO C[C@H](C[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1)N(C)C ZINC000609223432 459927452 /nfs/dbraw/zinc/92/74/52/459927452.db2.gz QSPOJVHDHPKMQS-OAHLLOKOSA-N 1 0 342.443 3.402 20 5 EGBDRO O=[N+]([O-])c1ccc2[nH]c(CN3CCC[C@@H](C[C@@H]4CCOC4)C3)nc2c1 ZINC000618296925 459963274 /nfs/dbraw/zinc/96/32/74/459963274.db2.gz AKPHWTOYGMNJLB-KBPBESRZSA-N 1 0 344.415 3.110 20 5 EGBDRO C[N@@H+](Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C[C@@H]1CCC[C@@H]1O ZINC000602485384 459963491 /nfs/dbraw/zinc/96/34/91/459963491.db2.gz ONURUHGFCLKSPY-FZMZJTMJSA-N 1 0 332.322 3.206 20 5 EGBDRO CN(CCC[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)c1ccccc1 ZINC000602498387 459970010 /nfs/dbraw/zinc/97/00/10/459970010.db2.gz JPMUPURSIIDAJL-UHFFFAOYSA-N 1 0 340.383 3.352 20 5 EGBDRO C[C@@H]1CCCC[N@@H+]1CCCNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602504050 459973285 /nfs/dbraw/zinc/97/32/85/459973285.db2.gz RKNDLHLJRQKUTD-CYBMUJFWSA-N 1 0 332.404 3.090 20 5 EGBDRO CCCCOCC[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602525879 459983533 /nfs/dbraw/zinc/98/35/33/459983533.db2.gz TUISIZRDIIEKKP-UHFFFAOYSA-N 1 0 337.239 3.325 20 5 EGBDRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602531619 459985726 /nfs/dbraw/zinc/98/57/26/459985726.db2.gz YPCPPUWEBZSSQH-UOIKSKOESA-N 1 0 332.448 3.373 20 5 EGBDRO CC[C@H]1C[N@H+](C)CCCN1C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000588821403 459986318 /nfs/dbraw/zinc/98/63/18/459986318.db2.gz GGBKGRKHTBDEON-HNNXBMFYSA-N 1 0 347.459 3.449 20 5 EGBDRO COC[C@H]([NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)C(C)C ZINC000602549283 459992333 /nfs/dbraw/zinc/99/23/33/459992333.db2.gz ZYCWCYXCAJFQOD-JTQLQIEISA-N 1 0 337.239 3.179 20 5 EGBDRO COc1cc(C[NH2+]CCc2ccccc2[N+](=O)[O-])c(Cl)cc1O ZINC000602559498 459997291 /nfs/dbraw/zinc/99/72/91/459997291.db2.gz UUFGEHIDXSMYCV-UHFFFAOYSA-N 1 0 336.775 3.295 20 5 EGBDRO CC1(c2ccccc2)C[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000598705441 460000880 /nfs/dbraw/zinc/00/08/80/460000880.db2.gz JOSJPARQFYZAOY-UHFFFAOYSA-N 1 0 339.395 3.197 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[NH2+]C2CCN(c3cccs3)CC2)cc1 ZINC000602573427 460002588 /nfs/dbraw/zinc/00/25/88/460002588.db2.gz JFBPOFOFGZTPDF-UHFFFAOYSA-N 1 0 331.441 3.457 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC(C)(C)OCC1(C)C ZINC000609672076 460006506 /nfs/dbraw/zinc/00/65/06/460006506.db2.gz XISXNRKIFPMOQU-UHFFFAOYSA-N 1 0 349.431 3.121 20 5 EGBDRO C[C@@H]1CC[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C[C@@H]1C ZINC000602611543 460022887 /nfs/dbraw/zinc/02/28/87/460022887.db2.gz FRHWVNLCYGEMDH-IJEWVQPXSA-N 1 0 332.448 3.373 20 5 EGBDRO COC1(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CCC(C)CC1 ZINC000602638222 460035970 /nfs/dbraw/zinc/03/59/70/460035970.db2.gz OACQMDCWMRPHCG-UHFFFAOYSA-N 1 0 333.388 3.421 20 5 EGBDRO CC(C)[N@@H+]1CC[C@@H](CNCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602657938 460047582 /nfs/dbraw/zinc/04/75/82/460047582.db2.gz UPSOLSWFPRLSTK-LBPRGKRZSA-N 1 0 345.365 3.434 20 5 EGBDRO O=[N+]([O-])c1sc(C[NH2+][C@H](CO)C2CCCC2)cc1Br ZINC000602673674 460058611 /nfs/dbraw/zinc/05/86/11/460058611.db2.gz BAEXRCLYNUGHFY-LLVKDONJSA-N 1 0 349.250 3.060 20 5 EGBDRO COC1(C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CCCC1 ZINC000602674704 460059489 /nfs/dbraw/zinc/05/94/89/460059489.db2.gz ZDXTYLCSCUOJJT-UHFFFAOYSA-N 1 0 349.250 3.468 20 5 EGBDRO C[C@@H](CC(C)(C)O)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602680091 460061458 /nfs/dbraw/zinc/06/14/58/460061458.db2.gz OQFVWPRRDRIRDO-ZETCQYMHSA-N 1 0 337.239 3.058 20 5 EGBDRO CCC[N@H+](CCOc1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000610133286 460068583 /nfs/dbraw/zinc/06/85/83/460068583.db2.gz AASBNWMUHUMZBU-KSZLIROESA-N 1 0 348.443 3.499 20 5 EGBDRO CCC[C@H]([NH2+]Cc1ccc(CC(N)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000589344903 460077399 /nfs/dbraw/zinc/07/73/99/460077399.db2.gz ZBSUYLSEXPUIHA-SFHVURJKSA-N 1 0 341.411 3.254 20 5 EGBDRO C[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H]1CO ZINC000602716026 460082446 /nfs/dbraw/zinc/08/24/46/460082446.db2.gz QQODYEQCEIMJOH-JQWIXIFHSA-N 1 0 332.322 3.064 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](C)c1ccccc1OC(F)F ZINC000602803402 460135028 /nfs/dbraw/zinc/13/50/28/460135028.db2.gz YVBJNGMAKVRRSG-JTQLQIEISA-N 1 0 340.330 3.052 20 5 EGBDRO Cc1cccc([C@@H](C)[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1 ZINC000610367429 460136461 /nfs/dbraw/zinc/13/64/61/460136461.db2.gz GJNANBAVQIXEJA-OAHLLOKOSA-N 1 0 326.400 3.181 20 5 EGBDRO CC(C)(C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000594195128 460144223 /nfs/dbraw/zinc/14/42/23/460144223.db2.gz CFFCHCUMNIIJEV-IRXDYDNUSA-N 1 0 345.443 3.006 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1 ZINC000599081401 460155072 /nfs/dbraw/zinc/15/50/72/460155072.db2.gz KDJQBVLARMWZDS-XZOAIXRZSA-N 1 0 343.383 3.185 20 5 EGBDRO C[C@@H]([NH2+]CC[C@@H](O)COCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000599091110 460158206 /nfs/dbraw/zinc/15/82/06/460158206.db2.gz XNBISBBZTXVQEZ-DNVCBOLYSA-N 1 0 344.411 3.213 20 5 EGBDRO CN(CCCC[NH+](C)C)C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000610473557 460158836 /nfs/dbraw/zinc/15/88/36/460158836.db2.gz CWMLROSLPOSWRO-UHFFFAOYSA-N 1 0 335.448 3.306 20 5 EGBDRO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)C1(C)C ZINC000610582776 460188098 /nfs/dbraw/zinc/18/80/98/460188098.db2.gz ZEGISSOXCCXMNV-HUUCEWRRSA-N 1 0 333.388 3.371 20 5 EGBDRO C[N@@H+]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C2(CCCCC2)C1 ZINC000610582392 460189052 /nfs/dbraw/zinc/18/90/52/460189052.db2.gz CDECGLABNILMAV-UHFFFAOYSA-N 1 0 344.415 3.186 20 5 EGBDRO C[C@](CO)([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CCCCC1 ZINC000610585816 460190167 /nfs/dbraw/zinc/19/01/67/460190167.db2.gz FDIZIVZVKQCNSK-QGZVFWFLSA-N 1 0 333.388 3.157 20 5 EGBDRO Cc1c(C[NH2+]C(C)(C)C(=O)Nc2ccccc2)cccc1[N+](=O)[O-] ZINC000610662848 460208577 /nfs/dbraw/zinc/20/85/77/460208577.db2.gz ZXKGDNOODHUQMY-UHFFFAOYSA-N 1 0 327.384 3.410 20 5 EGBDRO CC1(C)C[C@H]([NH2+][C@H]2CCN(CC3CC3)C2)c2cc([N+](=O)[O-])ccc21 ZINC000618984270 460242475 /nfs/dbraw/zinc/24/24/75/460242475.db2.gz OOMRWBHPRDCREB-KSSFIOAISA-N 1 0 329.444 3.391 20 5 EGBDRO C[C@H]1C[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H](C)C1(F)F ZINC000599514137 460264738 /nfs/dbraw/zinc/26/47/38/460264738.db2.gz UQUDYFPYSDXNQW-RYUDHWBXSA-N 1 0 341.358 3.147 20 5 EGBDRO C[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)CC[C@H]1C(=O)OC(C)(C)C ZINC000599587019 460281273 /nfs/dbraw/zinc/28/12/73/460281273.db2.gz KIKHNXPOJNVMHQ-CZUORRHYSA-N 1 0 334.416 3.395 20 5 EGBDRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)c3ccc([N+](=O)[O-])nc3)C2)s1 ZINC000603402395 460297514 /nfs/dbraw/zinc/29/75/14/460297514.db2.gz RJGLGHWENZCKGQ-AWEZNQCLSA-N 1 0 346.456 3.318 20 5 EGBDRO CCc1ccc(C(=O)N(C)CCCC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000603405596 460298568 /nfs/dbraw/zinc/29/85/68/460298568.db2.gz BFWIVZVLRXRVFG-UHFFFAOYSA-N 1 0 347.459 3.495 20 5 EGBDRO CCOc1cc(NC2CC[NH+](C3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000603407151 460299686 /nfs/dbraw/zinc/29/96/86/460299686.db2.gz AOBIDEKDGLLBQR-UHFFFAOYSA-N 1 0 349.431 3.049 20 5 EGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000611209194 460308057 /nfs/dbraw/zinc/30/80/57/460308057.db2.gz NBMXEDFGBJAMLJ-CKEIUWERSA-N 1 0 343.427 3.131 20 5 EGBDRO Cn1nccc1[C@H]1CCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000611262862 460322109 /nfs/dbraw/zinc/32/21/09/460322109.db2.gz XPZBIRDHBCQEET-OUOZUETKSA-N 1 0 326.400 3.221 20 5 EGBDRO CC[C@@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CCCCC1 ZINC000611433703 460363941 /nfs/dbraw/zinc/36/39/41/460363941.db2.gz MFACSMSGFCCZHA-QGZVFWFLSA-N 1 0 345.443 3.432 20 5 EGBDRO CC[C@@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CCCCC1 ZINC000611433749 460364218 /nfs/dbraw/zinc/36/42/18/460364218.db2.gz PCPNZSAXDYIGNY-QGZVFWFLSA-N 1 0 345.443 3.432 20 5 EGBDRO C[C@@H](CNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000603971274 460366437 /nfs/dbraw/zinc/36/64/37/460366437.db2.gz WBLZQZOSOOUEHZ-AWEZNQCLSA-N 1 0 347.459 3.354 20 5 EGBDRO CC(C)(C)CC[NH+]1CCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000604015216 460368883 /nfs/dbraw/zinc/36/88/83/460368883.db2.gz YTTZCFCDGMEBJZ-UHFFFAOYSA-N 1 0 349.475 3.418 20 5 EGBDRO CC(C)C[NH+]1CCC(Nc2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000611564871 460401273 /nfs/dbraw/zinc/40/12/73/460401273.db2.gz LAGNOYZGRMBGKA-UHFFFAOYSA-N 1 0 329.404 3.070 20 5 EGBDRO CC[C@@H](C)[N@H+](CCO)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000600168397 460417652 /nfs/dbraw/zinc/41/76/52/460417652.db2.gz IUVAEQLPEWMSNN-GFCCVEGCSA-N 1 0 335.429 3.311 20 5 EGBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611709173 460435451 /nfs/dbraw/zinc/43/54/51/460435451.db2.gz OBUMEUJFLIPPEI-MJBXVCDLSA-N 1 0 343.431 3.316 20 5 EGBDRO C[C@@H]([NH2+]CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1ccsc1 ZINC000619783264 460442890 /nfs/dbraw/zinc/44/28/90/460442890.db2.gz PYWVBFLWQOLUJG-LLVKDONJSA-N 1 0 347.396 3.305 20 5 EGBDRO CC(C)[C@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])[C@H](O)C(F)(F)F ZINC000601301144 460781257 /nfs/dbraw/zinc/78/12/57/460781257.db2.gz SAKYMJZFJJXNPF-UBHSHLNASA-N 1 0 332.322 3.120 20 5 EGBDRO Cc1ccc(-c2nc(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)no2)cc1[N+](=O)[O-] ZINC000612955072 460782928 /nfs/dbraw/zinc/78/29/28/460782928.db2.gz RBBTYLCDUFCABS-AGUYFDCRSA-N 1 0 328.372 3.293 20 5 EGBDRO Cc1cc(-c2nc(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)no2)cc([N+](=O)[O-])c1 ZINC000612954711 460782992 /nfs/dbraw/zinc/78/29/92/460782992.db2.gz NKFWVLSIQKJBMK-QXMXGUDHSA-N 1 0 328.372 3.293 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1-c1nc(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)no1 ZINC000612954710 460783074 /nfs/dbraw/zinc/78/30/74/460783074.db2.gz NEGNAVGZSHRRDV-YHWZYXNKSA-N 1 0 328.372 3.293 20 5 EGBDRO C[C@@H](NC(=O)c1c(F)cccc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000601422540 460808450 /nfs/dbraw/zinc/80/84/50/460808450.db2.gz RYHUZWWSKFSFCJ-OLZOCXBDSA-N 1 0 349.406 3.117 20 5 EGBDRO COc1cc(C[NH+](C)C)ccc1NC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000601620743 460848915 /nfs/dbraw/zinc/84/89/15/460848915.db2.gz KIISYNMKUBKQGZ-UHFFFAOYSA-N 1 0 343.383 3.226 20 5 EGBDRO C[C@H](C[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-])c1nccs1 ZINC000183960188 534020314 /nfs/dbraw/zinc/02/03/14/534020314.db2.gz SMBDKASQKIBWKR-GFCCVEGCSA-N 1 0 348.428 3.115 20 5 EGBDRO CC[NH+](CC)CCS[C@H](C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000174021043 528165868 /nfs/dbraw/zinc/16/58/68/528165868.db2.gz WKVXENCXAVZTQU-LLVKDONJSA-N 1 0 343.424 3.136 20 5 EGBDRO CCCC[NH+]1CCC(Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1 ZINC000170639705 528464484 /nfs/dbraw/zinc/46/44/84/528464484.db2.gz ZZDDLYIYYUWAMV-UHFFFAOYSA-N 1 0 346.431 3.156 20 5 EGBDRO CCOCCO[C@H]1CCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000181533034 528841654 /nfs/dbraw/zinc/84/16/54/528841654.db2.gz DEHWSPYQTSPHHA-HNNXBMFYSA-N 1 0 345.399 3.083 20 5 EGBDRO C[NH+](C)CCOc1ccc(CCNc2cccc(F)c2[N+](=O)[O-])cc1 ZINC000729183848 574821664 /nfs/dbraw/zinc/82/16/64/574821664.db2.gz SIUVKOQJUKOUOW-UHFFFAOYSA-N 1 0 347.390 3.329 20 5 EGBDRO Cc1nn(C[N@@H+]2CCC[C@H](Cc3ccccc3)C2)c(C)c1[N+](=O)[O-] ZINC000729985935 574901368 /nfs/dbraw/zinc/90/13/68/574901368.db2.gz SCSISOVKUBLXJC-QGZVFWFLSA-N 1 0 328.416 3.320 20 5 EGBDRO CC(C)[C@H](C(=O)OCc1cc(F)ccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000741012576 574964935 /nfs/dbraw/zinc/96/49/35/574964935.db2.gz PDCNMMYKCRXZLU-MRXNPFEDSA-N 1 0 338.379 3.288 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]Cc2ccccc2OCC2CC2)cc1 ZINC000731678947 575199629 /nfs/dbraw/zinc/19/96/29/575199629.db2.gz SZRODBNCEKLMEP-SFHVURJKSA-N 1 0 342.395 3.207 20 5 EGBDRO Cc1nn(C[N@@H+]2CCC[C@H]2Cc2ccccc2C)c(C)c1[N+](=O)[O-] ZINC000734143168 575441262 /nfs/dbraw/zinc/44/12/62/575441262.db2.gz AMIPQNWLKIAHJI-KRWDZBQOSA-N 1 0 328.416 3.381 20 5 EGBDRO Cc1c(COC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000741012903 576645715 /nfs/dbraw/zinc/64/57/15/576645715.db2.gz WSIBKGXJUHUWIN-QGZVFWFLSA-N 1 0 334.416 3.457 20 5 EGBDRO CC(C)[C@@H](C(=O)OCCc1ccc([N+](=O)[O-])cc1)[NH+]1CCCCC1 ZINC000741012659 576645934 /nfs/dbraw/zinc/64/59/34/576645934.db2.gz ZEXPAYSSQOHNEM-KRWDZBQOSA-N 1 0 334.416 3.191 20 5 EGBDRO O=[N+]([O-])c1ccc2c(cnn2C[N@@H+]2CC[C@@H](Cc3ccccc3)C2)c1 ZINC000742152781 576752276 /nfs/dbraw/zinc/75/22/76/576752276.db2.gz MGJSBWPQZOMJQI-INIZCTEOSA-N 1 0 336.395 3.467 20 5 EGBDRO CC[N@H+](Cn1cc([N+](=O)[O-])cn1)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000743399439 576808463 /nfs/dbraw/zinc/80/84/63/576808463.db2.gz LPSYHJYRKBTOLT-QGZVFWFLSA-N 1 0 334.395 3.477 20 5 EGBDRO O=[N+]([O-])c1ccc2oc(=S)n(C[N@@H+]3CCC4(C3)CCOCC4)c2c1 ZINC000743406400 576808638 /nfs/dbraw/zinc/80/86/38/576808638.db2.gz VYWGFKQGRPFHSZ-UHFFFAOYSA-N 1 0 349.412 3.332 20 5 EGBDRO C[NH+](C)CCN(C(=O)/C=C\c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000743637281 576813819 /nfs/dbraw/zinc/81/38/19/576813819.db2.gz LPZAOZUVMBUCKW-RAXLEYEMSA-N 1 0 345.443 3.331 20 5 EGBDRO O=[N+]([O-])c1ccc(F)cc1CN1CCC[N@H+](Cc2ccccc2)CC1 ZINC000047540707 1291578521 /nfs/dbraw/zinc/57/85/21/1291578521.db2.gz ANVBEBXAFRKNLU-UHFFFAOYSA-N 1 0 343.402 3.442 20 5 EGBDRO C[N@H+](CC1CCCCC1)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000054448775 1291752644 /nfs/dbraw/zinc/75/26/44/1291752644.db2.gz CJALUTQBCRAARN-UHFFFAOYSA-N 1 0 329.404 3.323 20 5 EGBDRO O=[N+]([O-])c1ccc(Br)cc1NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000087834198 1292746907 /nfs/dbraw/zinc/74/69/07/1292746907.db2.gz WUBOEJZZRBUNDR-SNVBAGLBSA-N 1 0 340.221 3.254 20 5 EGBDRO Cc1nn(C[N@@H+]2CCC[C@H]2Cc2ccc(C)cc2)c(C)c1[N+](=O)[O-] ZINC000113246078 1293145778 /nfs/dbraw/zinc/14/57/78/1293145778.db2.gz NJPMCWWKNAJBJO-KRWDZBQOSA-N 1 0 328.416 3.381 20 5 EGBDRO C[C@]1(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1(Cl)Cl ZINC000834885273 1293163790 /nfs/dbraw/zinc/16/37/90/1293163790.db2.gz UPFZRGWKCIJYNH-DMDPSCGWSA-N 1 0 347.246 3.449 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CCC[C@@H]4OCC[C@@H]43)CC2)cc1 ZINC000125095769 1293495898 /nfs/dbraw/zinc/49/58/98/1293495898.db2.gz BHJVSXSYHPMSDR-QRVBRYPASA-N 1 0 345.443 3.111 20 5 EGBDRO CC(C)C[C@@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)N(C)C ZINC000131902691 1293703998 /nfs/dbraw/zinc/70/39/98/1293703998.db2.gz ZXKFVQXJQXMNFK-IBGZPJMESA-N 1 0 348.491 3.130 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[N@@H+](C[C@H](O)c1cccc(F)c1)C1CC1 ZINC000135240653 1293790460 /nfs/dbraw/zinc/79/04/60/1293790460.db2.gz SIIHBRWKEFHDLH-SFHVURJKSA-N 1 0 330.359 3.432 20 5 EGBDRO Cc1cccn2cc(CNCc3cc(Cl)ccc3[N+](=O)[O-])nc12 ZINC000152285832 1293962299 /nfs/dbraw/zinc/96/22/99/1293962299.db2.gz JJYWTBVIKDQOEG-UHFFFAOYSA-N 1 0 330.775 3.494 20 5 EGBDRO Cc1ccc(CN(C)Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)cc1 ZINC000172891935 1294447847 /nfs/dbraw/zinc/44/78/47/1294447847.db2.gz ILCUEPBJCBFFPY-UHFFFAOYSA-N 1 0 337.383 3.251 20 5 EGBDRO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC3(CCCC3)C2)c([N+](=O)[O-])c1 ZINC000173820491 1294471139 /nfs/dbraw/zinc/47/11/39/1294471139.db2.gz QENXJPDSQHNUTF-CYBMUJFWSA-N 1 0 347.415 3.197 20 5 EGBDRO C[C@H]([NH2+]CC(=O)NC1CCCCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000180441785 1294889419 /nfs/dbraw/zinc/88/94/19/1294889419.db2.gz BFQHYJMKYDBKAD-AWEZNQCLSA-N 1 0 333.432 3.475 20 5 EGBDRO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 ZINC000205437035 1296091695 /nfs/dbraw/zinc/09/16/95/1296091695.db2.gz WQHQJLNTMZHUCT-GFCCVEGCSA-N 1 0 331.328 3.233 20 5 EGBDRO C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1Br)C1CCOCC1 ZINC000235525122 1296185229 /nfs/dbraw/zinc/18/52/29/1296185229.db2.gz NCQXCLCFLXCAPN-JTQLQIEISA-N 1 0 343.221 3.262 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@H](Cc3ccccc3)C2)c1 ZINC000246324735 1296347638 /nfs/dbraw/zinc/34/76/38/1296347638.db2.gz RZOVODWCMZRNTK-VQIMIIECSA-N 1 0 326.396 3.193 20 5 EGBDRO C[C@@H](CNC(=O)OC(C)(C)C)[N@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255141149 1296503468 /nfs/dbraw/zinc/50/34/68/1296503468.db2.gz UYTQJXOFCUXXSX-GDAGCXPBSA-N 1 0 349.431 3.453 20 5 EGBDRO CN(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261777515 1296604214 /nfs/dbraw/zinc/60/42/14/1296604214.db2.gz RPNZLCIGPGYTCB-FOSCPWQOSA-N 1 0 329.322 3.333 20 5 EGBDRO CSC1CC[NH+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)CC1 ZINC000872628457 1297033429 /nfs/dbraw/zinc/03/34/29/1297033429.db2.gz ZNDACXLUXMZPII-UHFFFAOYSA-N 1 0 332.429 3.243 20 5 EGBDRO Cc1c(C[NH2+]C[C@@H](c2ccco2)N2CCCC2)cccc1[N+](=O)[O-] ZINC000873007630 1297220385 /nfs/dbraw/zinc/22/03/85/1297220385.db2.gz XMVJGPZDHCIGAC-KRWDZBQOSA-N 1 0 329.400 3.423 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C1CCN(CC(F)F)CC1 ZINC000873031062 1297233192 /nfs/dbraw/zinc/23/31/92/1297233192.db2.gz OGVGEBFYRAELAF-UHFFFAOYSA-N 1 0 327.375 3.031 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCCOCC1CCOCC1 ZINC000873058108 1297251869 /nfs/dbraw/zinc/25/18/69/1297251869.db2.gz JSZXQTXOHPDLFE-UHFFFAOYSA-N 1 0 336.432 3.135 20 5 EGBDRO COc1ccc([C@@H](CO)C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)cc1 ZINC000873131756 1297289519 /nfs/dbraw/zinc/28/95/19/1297289519.db2.gz ZMOVVWVYURISNG-MRXNPFEDSA-N 1 0 344.411 3.086 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000873299527 1297420151 /nfs/dbraw/zinc/42/01/51/1297420151.db2.gz TWAGIBUBHGCOTD-MRXNPFEDSA-N 1 0 345.443 3.063 20 5 EGBDRO CC[C@H](C(=O)OCc1cc(Cl)ccc1[N+](=O)[O-])[NH+](CC)CC ZINC000746075580 1298525700 /nfs/dbraw/zinc/52/57/00/1298525700.db2.gz IEZZRSJZLICMQH-CYBMUJFWSA-N 1 0 328.796 3.412 20 5 EGBDRO CC(C)[C@@H](C(=O)OCc1ccc([N+](=O)[O-])cc1F)[NH+]1CCCCC1 ZINC000746984396 1298702187 /nfs/dbraw/zinc/70/21/87/1298702187.db2.gz NDLVYKPCYOPCSD-INIZCTEOSA-N 1 0 338.379 3.288 20 5 EGBDRO C[N@@H+]1CCCC[C@@H]1CCOC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000747576915 1298803256 /nfs/dbraw/zinc/80/32/56/1298803256.db2.gz XGKZNLOHDFXWEK-LLVKDONJSA-N 1 0 326.780 3.279 20 5 EGBDRO Cc1nn(C[N@H+](C2CC2)C2CCCCC2)c2ncc([N+](=O)[O-])cc12 ZINC000749941473 1299306121 /nfs/dbraw/zinc/30/61/21/1299306121.db2.gz OWJRTMOWHYUTNT-UHFFFAOYSA-N 1 0 329.404 3.403 20 5 EGBDRO Cc1nn(C[N@H+](C)CCCc2ccccc2)c2ncc([N+](=O)[O-])cc12 ZINC000749940242 1299306304 /nfs/dbraw/zinc/30/63/04/1299306304.db2.gz YHJNDLNDVXCGPR-UHFFFAOYSA-N 1 0 339.399 3.170 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC[C@H]2c2ccc(O)cc2)c1 ZINC000750096921 1299337712 /nfs/dbraw/zinc/33/77/12/1299337712.db2.gz SLNUQXZBTGISEW-ROUUACIJSA-N 1 0 328.368 3.171 20 5 EGBDRO Cc1cccc(C(=O)NC2CCC([NH+]3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000750867706 1299466645 /nfs/dbraw/zinc/46/66/45/1299466645.db2.gz XKTJBDJOQQRHDH-UHFFFAOYSA-N 1 0 345.443 3.430 20 5 EGBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000751887635 1299644273 /nfs/dbraw/zinc/64/42/73/1299644273.db2.gz XVVLYEQBXWRGDQ-NSHDSACASA-N 1 0 340.811 3.244 20 5 EGBDRO COCC[N@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C1CCCC1 ZINC000877989678 1299690121 /nfs/dbraw/zinc/69/01/21/1299690121.db2.gz BBORUKYSAYGSQI-UHFFFAOYSA-N 1 0 346.387 3.036 20 5 EGBDRO C[C@H]1CC[N@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)CCS1 ZINC000754871936 1300237235 /nfs/dbraw/zinc/23/72/35/1300237235.db2.gz IRSPUWVAATYOAT-ZDUSSCGKSA-N 1 0 332.429 3.243 20 5 EGBDRO C[C@@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1nccs1 ZINC000757699427 1300713610 /nfs/dbraw/zinc/71/36/10/1300713610.db2.gz XZSYUHNBEWIOGV-ZDUSSCGKSA-N 1 0 346.456 3.413 20 5 EGBDRO C[NH+](C)[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2OC(F)F)CC1 ZINC000758208397 1300815381 /nfs/dbraw/zinc/81/53/81/1300815381.db2.gz UFTDFHLFUULOGY-NSHDSACASA-N 1 0 329.347 3.117 20 5 EGBDRO CCC1(CC)[C@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@@H](C)[C@@H]1OC ZINC000759610973 1301128875 /nfs/dbraw/zinc/12/88/75/1301128875.db2.gz JPPPPALHECSVAW-ZFVVBOAOSA-N 1 0 336.432 3.058 20 5 EGBDRO C[C@@H](CNCc1ccc([N+](=O)[O-])c(Cl)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000761522354 1301490239 /nfs/dbraw/zinc/49/02/39/1301490239.db2.gz OOWJNYWHZGOTIX-STQMWFEESA-N 1 0 325.840 3.458 20 5 EGBDRO C[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)N1CCC(C)CC1 ZINC000761524163 1301490691 /nfs/dbraw/zinc/49/06/91/1301490691.db2.gz WMONKRBPBGENHJ-ZDUSSCGKSA-N 1 0 325.840 3.458 20 5 EGBDRO C[C@H](Cc1ccco1)[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000764773334 1302132106 /nfs/dbraw/zinc/13/21/06/1302132106.db2.gz GYHLONDIYGOCEC-OLZOCXBDSA-N 1 0 331.372 3.126 20 5 EGBDRO CC[C@@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(OC)cc1 ZINC000765850295 1302340603 /nfs/dbraw/zinc/34/06/03/1302340603.db2.gz WXLKAGREZSOPAD-QZTJIDSGSA-N 1 0 330.384 3.378 20 5 EGBDRO C[N@@H+]1CCCC[C@@H]1CCOC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000766233986 1302414310 /nfs/dbraw/zinc/41/43/10/1302414310.db2.gz VGVOVOXRWUJZJZ-CYBMUJFWSA-N 1 0 343.383 3.174 20 5 EGBDRO CC[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CCOCC1 ZINC000766390424 1302443018 /nfs/dbraw/zinc/44/30/18/1302443018.db2.gz VECIOSRNMQOJQE-LJQANCHMSA-N 1 0 347.459 3.358 20 5 EGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)Cc1cnccn1 ZINC000768100797 1302824913 /nfs/dbraw/zinc/82/49/13/1302824913.db2.gz YFBAWQBRMMZICF-UONOGXRCSA-N 1 0 346.456 3.476 20 5 EGBDRO O=C(CCCC[NH+]1CCCC1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000768943014 1303018769 /nfs/dbraw/zinc/01/87/69/1303018769.db2.gz DDNBKJFZVXVVJX-UHFFFAOYSA-N 1 0 345.443 3.352 20 5 EGBDRO CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000769300020 1303088100 /nfs/dbraw/zinc/08/81/00/1303088100.db2.gz UIHOYDMPTRXQJD-INIZCTEOSA-N 1 0 349.431 3.426 20 5 EGBDRO CC(C)(C)OC(=O)CC[C@@H]1CCC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886249668 1303412242 /nfs/dbraw/zinc/41/22/42/1303412242.db2.gz QJKJBAXTQWOTGN-AWEZNQCLSA-N 1 0 349.431 3.324 20 5 EGBDRO O=[N+]([O-])c1ccc2c(cnn2C[N@@H+]2CCC[C@H](C[C@H]3CCOC3)C2)c1 ZINC000773262198 1303652512 /nfs/dbraw/zinc/65/25/12/1303652512.db2.gz OGPHGPIOYYBTIV-HUUCEWRRSA-N 1 0 344.415 3.041 20 5 EGBDRO C[C@H](O)c1ccc(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000774136641 1303777918 /nfs/dbraw/zinc/77/79/18/1303777918.db2.gz DPWMQQUWOSSFGY-JQFCIGGWSA-N 1 0 344.415 3.118 20 5 EGBDRO CC[C@](C)([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000775390315 1303954028 /nfs/dbraw/zinc/95/40/28/1303954028.db2.gz LFYOTHUAVJDJMJ-IBGZPJMESA-N 1 0 341.411 3.473 20 5 EGBDRO COC(=O)[C@H]1CCCC[C@@]1(C)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000775992781 1304075974 /nfs/dbraw/zinc/07/59/74/1304075974.db2.gz LKQHIRVJQQIORO-CZUORRHYSA-N 1 0 340.807 3.460 20 5 EGBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N(C)CCCC[NH+](C)C ZINC000888283658 1304099790 /nfs/dbraw/zinc/09/97/90/1304099790.db2.gz WSSKIGVCXKRZRD-UHFFFAOYSA-N 1 0 342.827 3.362 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCCO[C@H](c3ccccc3)C2)cc1 ZINC000776276531 1304126750 /nfs/dbraw/zinc/12/67/50/1304126750.db2.gz JKGXURMZQPSJGK-MOPGFXCFSA-N 1 0 342.395 3.092 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)c1C ZINC000889712009 1304569071 /nfs/dbraw/zinc/56/90/71/1304569071.db2.gz CQSIAVVMORNPED-INIZCTEOSA-N 1 0 345.443 3.016 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)c1C ZINC000889712010 1304569200 /nfs/dbraw/zinc/56/92/00/1304569200.db2.gz CQSIAVVMORNPED-MRXNPFEDSA-N 1 0 345.443 3.016 20 5 EGBDRO C[C@@H](Nc1nc2ccccn2c1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000781393846 1304822841 /nfs/dbraw/zinc/82/28/41/1304822841.db2.gz HPEJKKFEPSFDJX-ZIAGYGMSSA-N 1 0 343.431 3.307 20 5 EGBDRO CC(C)[N@H+](C)CC1CCN(c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000891912333 1305206839 /nfs/dbraw/zinc/20/68/39/1305206839.db2.gz AHXVKHIIZCVQTB-UHFFFAOYSA-N 1 0 336.392 3.060 20 5 EGBDRO C[NH+](C)CCc1ccc(CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000786079114 1305507852 /nfs/dbraw/zinc/50/78/52/1305507852.db2.gz PYSLMGUSYPSBSZ-UHFFFAOYSA-N 1 0 344.371 3.219 20 5 EGBDRO COc1cc(C[NH2+]C(C)(C)C2CCOCC2)c([N+](=O)[O-])cc1F ZINC000786164781 1305528317 /nfs/dbraw/zinc/52/83/17/1305528317.db2.gz JJUQTUXAEZSENX-UHFFFAOYSA-N 1 0 326.368 3.037 20 5 EGBDRO COc1c(O)ccc(C[NH2+][C@H]2CCc3ccc(C)cc32)c1[N+](=O)[O-] ZINC000892920823 1305609247 /nfs/dbraw/zinc/60/92/47/1305609247.db2.gz LOVISYICIODEBJ-HNNXBMFYSA-N 1 0 328.368 3.395 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](O)c1ccccc1F ZINC000786813461 1305633724 /nfs/dbraw/zinc/63/37/24/1305633724.db2.gz WWUGSNMDXSFSSO-FHLIRTJZSA-N 1 0 330.359 3.460 20 5 EGBDRO O=C(OCc1ccc([N+](=O)[O-])cc1F)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000786883310 1305649059 /nfs/dbraw/zinc/64/90/59/1305649059.db2.gz PSVPAMUEEIYEJS-MRXNPFEDSA-N 1 0 336.363 3.184 20 5 EGBDRO C[C@@H]([NH2+]Cc1ccc(-n2ccnc2)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788638445 1305989048 /nfs/dbraw/zinc/98/90/48/1305989048.db2.gz GWIXQZFBPPCTAF-CYBMUJFWSA-N 1 0 337.383 3.214 20 5 EGBDRO O=c1oc2ccc(CN(Cc3ccc([N+](=O)[O-])cc3)C3CC3)cc2o1 ZINC000893945919 1306140309 /nfs/dbraw/zinc/14/03/09/1306140309.db2.gz MOZWDBGOGWGJSF-UHFFFAOYSA-N 1 0 340.335 3.459 20 5 EGBDRO CCC[C@@]1(COC)CCC[N@@H+]1Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000894077920 1306204681 /nfs/dbraw/zinc/20/46/81/1306204681.db2.gz XGXVBKMTUZKIEN-KRWDZBQOSA-N 1 0 338.404 3.090 20 5 EGBDRO C[C@H](C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000894138528 1306240034 /nfs/dbraw/zinc/24/00/34/1306240034.db2.gz FTXIOPFRHOCHRQ-SNVBAGLBSA-N 1 0 343.811 3.251 20 5 EGBDRO COCC[N@H+](Cn1ncc2ccc([N+](=O)[O-])cc21)[C@@H]1CC[C@@H](C)C1 ZINC000790475794 1306331982 /nfs/dbraw/zinc/33/19/82/1306331982.db2.gz BTCFLJZQPWHCAQ-UKRRQHHQSA-N 1 0 332.404 3.039 20 5 EGBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000791063786 1308919243 /nfs/dbraw/zinc/91/92/43/1308919243.db2.gz YCSJAVCVAAOJKL-ZDUSSCGKSA-N 1 0 339.823 3.098 20 5 EGBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+][C@@H](CO)CC(F)F ZINC000894566572 1308956855 /nfs/dbraw/zinc/95/68/55/1308956855.db2.gz MUQOBRWZVJQZSD-MRVPVSSYSA-N 1 0 329.130 3.007 20 5 EGBDRO O=C(NCCC[NH2+]C1CCCCC1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000895129767 1309201665 /nfs/dbraw/zinc/20/16/65/1309201665.db2.gz FWWOGNFCFQDTRY-ZWKOTPCHSA-N 1 0 345.443 3.127 20 5 EGBDRO COC(=O)C[C@@H]1CC[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)[C@H]1C ZINC000793009893 1309280876 /nfs/dbraw/zinc/28/08/76/1309280876.db2.gz NLCQPFGNPOEXIE-ZIBATOQPSA-N 1 0 340.807 3.316 20 5 EGBDRO CSC[C@H]1CCC[N@H+](Cn2nc(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000793794953 1309441676 /nfs/dbraw/zinc/44/16/76/1309441676.db2.gz ZQQQETWTDAWSQL-ZDUSSCGKSA-N 1 0 334.445 3.285 20 5 EGBDRO CCC[C@@H](C)[C@@H]1CCC[N@@H+]1Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000794631865 1309560321 /nfs/dbraw/zinc/56/03/21/1309560321.db2.gz DZDJMHHRSNXWMC-OLZOCXBDSA-N 1 0 333.388 3.361 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[N@@H+](C3CCCC3)CC2)c1C ZINC000896499264 1309887117 /nfs/dbraw/zinc/88/71/17/1309887117.db2.gz LPXVDGCKORCAJA-UHFFFAOYSA-N 1 0 345.443 3.302 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)c1C ZINC000896692473 1309975619 /nfs/dbraw/zinc/97/56/19/1309975619.db2.gz DSVMSSQHVSHJJA-OAHLLOKOSA-N 1 0 333.432 3.158 20 5 EGBDRO Cc1ncccc1CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000898254649 1310648422 /nfs/dbraw/zinc/64/84/22/1310648422.db2.gz FERBDQFBOIJSLJ-UHFFFAOYSA-N 1 0 340.427 3.099 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)c1C ZINC000899018788 1310913084 /nfs/dbraw/zinc/91/30/84/1310913084.db2.gz BAUGEVQLENZXLG-MRXNPFEDSA-N 1 0 345.443 3.063 20 5 EGBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1ccc([S@@](C)=O)cc1 ZINC000801533347 1310958625 /nfs/dbraw/zinc/95/86/25/1310958625.db2.gz LIVVUVKVRDTNDU-BSNNYGBQSA-N 1 0 336.388 3.322 20 5 EGBDRO CC[N@H+](C)C[C@H]1CCN(c2cccc(Br)c2[N+](=O)[O-])C1 ZINC000820670427 1319932035 /nfs/dbraw/zinc/93/20/35/1319932035.db2.gz PELWDKYZBXPJIS-LLVKDONJSA-N 1 0 342.237 3.135 20 5 EGBDRO C[N@@H+]1CCC[C@H]1CCN[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC000839651506 1320951895 /nfs/dbraw/zinc/95/18/95/1320951895.db2.gz GHXCOWCPHCPVOR-HZMBPMFUSA-N 1 0 349.328 3.411 20 5 EGBDRO CO[C@H](C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 ZINC000801911089 1316964724 /nfs/dbraw/zinc/96/47/24/1316964724.db2.gz TZEZHPRNTQLLPS-LJQANCHMSA-N 1 0 341.411 3.105 20 5 EGBDRO CC(=O)c1cc([N+](=O)[O-])ccc1NCC[N@@H+](C)Cc1ccccc1 ZINC000804371582 1317224508 /nfs/dbraw/zinc/22/45/08/1317224508.db2.gz CNOXIRXKJQVDQJ-UHFFFAOYSA-N 1 0 327.384 3.341 20 5 EGBDRO C[C@H](Nc1nc2ccccn2c1[N+](=O)[O-])[C@H](c1ccccc1)[NH+](C)C ZINC000804678086 1317273125 /nfs/dbraw/zinc/27/31/25/1317273125.db2.gz DBBCVJYXFRNXFF-XJKSGUPXSA-N 1 0 339.399 3.346 20 5 EGBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1c1nc2ccc([N+](=O)[O-])cc2s1 ZINC000804812004 1317286757 /nfs/dbraw/zinc/28/67/57/1317286757.db2.gz CHUQMPVURFRLOD-WCQYABFASA-N 1 0 332.429 3.268 20 5 EGBDRO CN(CCC[N@H+](C)Cc1ccco1)c1c(F)cc([N+](=O)[O-])cc1F ZINC000804841251 1317291952 /nfs/dbraw/zinc/29/19/52/1317291952.db2.gz RLTAJRSNKDMYHK-UHFFFAOYSA-N 1 0 339.342 3.424 20 5 EGBDRO C[C@H](NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1)C(C)(C)C[NH+](C)C ZINC000900833608 1317345103 /nfs/dbraw/zinc/34/51/03/1317345103.db2.gz TVGLFNPGEJRSPG-VIFPVBQESA-N 1 0 345.802 3.093 20 5 EGBDRO O=C(CC1=CCCCC1)N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001020026828 1317507187 /nfs/dbraw/zinc/50/71/87/1317507187.db2.gz BESAYWRSUGWTLR-QAQDUYKDSA-N 1 0 343.427 3.222 20 5 EGBDRO Cc1cscc1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001020057661 1317523241 /nfs/dbraw/zinc/52/32/41/1317523241.db2.gz FBDPJERXKYIQKJ-HDJSIYSDSA-N 1 0 345.424 3.015 20 5 EGBDRO C[NH+](C)Cc1ccc(NC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000929808499 1328705958 /nfs/dbraw/zinc/70/59/58/1328705958.db2.gz HZCRBFDOEODOJK-QZTJIDSGSA-N 1 0 339.395 3.399 20 5 EGBDRO CCOc1ccc([C@H](C)N[C@@H]2Cc3ccccc3[C@H]2[NH3+])cc1[N+](=O)[O-] ZINC000902439428 1317578993 /nfs/dbraw/zinc/57/89/93/1317578993.db2.gz RTUIRZMRBJLHGH-JOKNJTHLSA-N 1 0 341.411 3.269 20 5 EGBDRO CC(=O)c1ccc([N+](=O)[O-])cc1NCCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000807991661 1317608809 /nfs/dbraw/zinc/60/88/09/1317608809.db2.gz OWHJMJVCPBIJFX-OKILXGFUSA-N 1 0 349.431 3.099 20 5 EGBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C1(NC(=O)OC(C)(C)C)CC1 ZINC000903114062 1317655994 /nfs/dbraw/zinc/65/59/94/1317655994.db2.gz STBSXSYYWBPWKH-GFCCVEGCSA-N 1 0 335.404 3.130 20 5 EGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCOC1CCSCC1 ZINC000903446777 1317700827 /nfs/dbraw/zinc/70/08/27/1317700827.db2.gz TZBMCCCVZWEZCS-GFCCVEGCSA-N 1 0 342.436 3.167 20 5 EGBDRO [NH3+]CCN(Cc1ccc(F)c2cccnc12)c1ccc([N+](=O)[O-])cc1 ZINC000809734357 1317883271 /nfs/dbraw/zinc/88/32/71/1317883271.db2.gz DUMOFJPKHCBPPE-UHFFFAOYSA-N 1 0 340.358 3.247 20 5 EGBDRO [NH3+]CCN(Cc1c[nH]nc1-c1ccsc1)c1ccc([N+](=O)[O-])cc1 ZINC000809735082 1317883469 /nfs/dbraw/zinc/88/34/69/1317883469.db2.gz RXDJTXDMIAXLEV-UHFFFAOYSA-N 1 0 343.412 3.012 20 5 EGBDRO O=[N+]([O-])CC[NH2+]CCCCSc1ccccc1Br ZINC000905120854 1317925241 /nfs/dbraw/zinc/92/52/41/1317925241.db2.gz GYIMCVBOZTUQGW-UHFFFAOYSA-N 1 0 333.251 3.188 20 5 EGBDRO Cc1c(C[N@@H+]2CCCC[C@@H]2COC(=O)NC2CC2)cccc1[N+](=O)[O-] ZINC000810037088 1317940029 /nfs/dbraw/zinc/94/00/29/1317940029.db2.gz DMUSRBFZVAPXOB-MRXNPFEDSA-N 1 0 347.415 3.146 20 5 EGBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000810144981 1317962897 /nfs/dbraw/zinc/96/28/97/1317962897.db2.gz NZIWKLKOBVBODC-LLVKDONJSA-N 1 0 342.827 3.490 20 5 EGBDRO Cc1ccc(CNC(=O)[C@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000905853626 1318007904 /nfs/dbraw/zinc/00/79/04/1318007904.db2.gz UGGFFVDEDIHNTD-CABCVRRESA-N 1 0 341.411 3.259 20 5 EGBDRO C[C@H](C(=O)O[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc([N+](=O)[O-])cc1F ZINC000810849042 1318065378 /nfs/dbraw/zinc/06/53/78/1318065378.db2.gz ZGPDZKKRBZIZLS-OBJOEFQTSA-N 1 0 336.363 3.007 20 5 EGBDRO [NH3+]CCN(Cc1ccnc(Cl)c1Cl)c1ccccc1[N+](=O)[O-] ZINC000811507349 1318187706 /nfs/dbraw/zinc/18/77/06/1318187706.db2.gz ZBRUZANJGZOLKW-UHFFFAOYSA-N 1 0 341.198 3.262 20 5 EGBDRO C[C@@H]1C[C@@H](NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC[N@@H+]1C ZINC000813462294 1318570103 /nfs/dbraw/zinc/57/01/03/1318570103.db2.gz WUMLNYSDMGQOMH-SCZZXKLOSA-N 1 0 346.214 3.114 20 5 EGBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)C1CCCCCC1 ZINC001021889190 1318722265 /nfs/dbraw/zinc/72/22/65/1318722265.db2.gz FYBFJBDSQGZWDO-CALCHBBNSA-N 1 0 345.443 3.302 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CC[C@@H](C[NH+]3CCCC3)C2)c(OC(F)F)c1 ZINC000814852554 1318831056 /nfs/dbraw/zinc/83/10/56/1318831056.db2.gz FGWCKMQTMAEHSP-LBPRGKRZSA-N 1 0 341.358 3.118 20 5 EGBDRO Cc1cc(C(=O)N2CCCC[C@@H]2[C@H](C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000912815525 1318941423 /nfs/dbraw/zinc/94/14/23/1318941423.db2.gz NBKPNJBVQYIPAW-GDBMZVCRSA-N 1 0 333.432 3.096 20 5 EGBDRO Cc1cc(C(=O)N2CCCC[C@H]2[C@H](C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000912815528 1318941735 /nfs/dbraw/zinc/94/17/35/1318941735.db2.gz NBKPNJBVQYIPAW-ZBFHGGJFSA-N 1 0 333.432 3.096 20 5 EGBDRO C[C@H](C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)N(C)c1ccccc1 ZINC000815559842 1319015612 /nfs/dbraw/zinc/01/56/12/1319015612.db2.gz RCMCHWGLWWZGSA-KGLIPLIRSA-N 1 0 328.416 3.353 20 5 EGBDRO C[C@H]([NH2+][C@@H](Cn1ccnc1)C(C)(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815562833 1319016535 /nfs/dbraw/zinc/01/65/35/1319016535.db2.gz NLPACURUUCZVPG-LRDDRELGSA-N 1 0 331.420 3.139 20 5 EGBDRO CC(C)[C@@H](C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccnn1C ZINC000815619261 1319029718 /nfs/dbraw/zinc/02/97/18/1319029718.db2.gz HYLOKHALOKOSKN-TZMCWYRMSA-N 1 0 331.420 3.001 20 5 EGBDRO C[C@H]([NH2+][C@H]1CCN(c2ccccc2F)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815629144 1319032221 /nfs/dbraw/zinc/03/22/21/1319032221.db2.gz VLWAUMZQWPQHSY-JSGCOSHPSA-N 1 0 344.390 3.246 20 5 EGBDRO CN(Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C[C@H]1CCC[N@@H+]1C ZINC000817294563 1319316196 /nfs/dbraw/zinc/31/61/96/1319316196.db2.gz WONWJCGEZVLNJM-GFCCVEGCSA-N 1 0 332.231 3.428 20 5 EGBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@H]1CCCCCC[C@H]1[NH3+])CC2 ZINC000818608458 1319568148 /nfs/dbraw/zinc/56/81/48/1319568148.db2.gz DPODFYKNETVKAL-LSDHHAIUSA-N 1 0 331.416 3.090 20 5 EGBDRO CC(C)(C)c1csc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000819019553 1319616066 /nfs/dbraw/zinc/61/60/66/1319616066.db2.gz BJPFCBDHXIAOGL-ZDUSSCGKSA-N 1 0 335.429 3.172 20 5 EGBDRO CC[C@@H]1CCCN(C(C)(C)C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000819047621 1319622793 /nfs/dbraw/zinc/62/27/93/1319622793.db2.gz XGDKJZLIWDHOAZ-CRAIPNDOSA-N 1 0 349.475 3.118 20 5 EGBDRO CC(C)(C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000819081349 1319631036 /nfs/dbraw/zinc/63/10/36/1319631036.db2.gz KRVWHHSDHSDASH-GOSISDBHSA-N 1 0 328.412 3.487 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@H]2SCCc3ccccc32)c1 ZINC000819132655 1319643558 /nfs/dbraw/zinc/64/35/58/1319643558.db2.gz GTYFDVZHRYAFSF-MSOLQXFVSA-N 1 0 344.436 3.248 20 5 EGBDRO CO[C@H](c1ccc(F)cc1)[C@@H](C)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819204400 1319666847 /nfs/dbraw/zinc/66/68/47/1319666847.db2.gz SOBMBLDIDAELNZ-PJSAGSTRSA-N 1 0 348.374 3.133 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC000819211521 1319668984 /nfs/dbraw/zinc/66/89/84/1319668984.db2.gz CMRAIOXEWWPLKN-MRXNPFEDSA-N 1 0 338.766 3.253 20 5 EGBDRO Cc1cccc(OCCC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)c1C ZINC000819271283 1319685748 /nfs/dbraw/zinc/68/57/48/1319685748.db2.gz PTAPDIFXRABBJR-SFHVURJKSA-N 1 0 344.411 3.304 20 5 EGBDRO Cc1cc(CC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)ccc1Cl ZINC000819324765 1319697185 /nfs/dbraw/zinc/69/71/85/1319697185.db2.gz RHOBEMMVMXXQNQ-KRWDZBQOSA-N 1 0 334.803 3.422 20 5 EGBDRO C[C@]1(CC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1(Cl)Cl ZINC000819348923 1319707095 /nfs/dbraw/zinc/70/70/95/1319707095.db2.gz JEPCZPQUELQZSU-OLZOCXBDSA-N 1 0 333.215 3.192 20 5 EGBDRO O=C(NCCCCC[NH+]1CCCC1)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000820630052 1319925047 /nfs/dbraw/zinc/92/50/47/1319925047.db2.gz IDPKBJVKWCYEEN-MSOLQXFVSA-N 1 0 345.443 3.081 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000822655186 1320108679 /nfs/dbraw/zinc/10/86/79/1320108679.db2.gz XTWNVRSHCJGDPA-ZDUSSCGKSA-N 1 0 334.420 3.145 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000822657503 1320109007 /nfs/dbraw/zinc/10/90/07/1320109007.db2.gz MVBMWPMWXQBGII-UHFFFAOYSA-N 1 0 345.443 3.160 20 5 EGBDRO COc1cc(C[N@H+](C)C[C@](C)(O)c2ccccc2)c([N+](=O)[O-])cc1F ZINC000823607216 1320191721 /nfs/dbraw/zinc/19/17/21/1320191721.db2.gz ZTAAYVJUMSUTDA-SFHVURJKSA-N 1 0 348.374 3.082 20 5 EGBDRO Cc1cc(Cl)c(C(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000825600828 1320349652 /nfs/dbraw/zinc/34/96/52/1320349652.db2.gz VKYGIPYGTAQQEX-GFCCVEGCSA-N 1 0 339.823 3.017 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)C[NH+]2CCCCC2)cc1Cl ZINC000836367623 1320479161 /nfs/dbraw/zinc/47/91/61/1320479161.db2.gz QULSACOSZHUACV-LBPRGKRZSA-N 1 0 339.823 3.161 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)cc1Cl ZINC000836740665 1320528082 /nfs/dbraw/zinc/52/80/82/1320528082.db2.gz WZIPHTUOECZEMP-NWDGAFQWSA-N 1 0 339.823 3.159 20 5 EGBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(Cl)c(C)cc1[N+](=O)[O-] ZINC000836786956 1320534637 /nfs/dbraw/zinc/53/46/37/1320534637.db2.gz HUUFNDBXQUFTLN-LBPRGKRZSA-N 1 0 339.823 3.161 20 5 EGBDRO COC1([C@@H](C)[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCC1 ZINC000840884775 1321170671 /nfs/dbraw/zinc/17/06/71/1321170671.db2.gz QKEVLKWLUNUWNI-CQSZACIVSA-N 1 0 333.432 3.111 20 5 EGBDRO CC[C@@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@@H]1CC1(C)C ZINC000842165002 1321356832 /nfs/dbraw/zinc/35/68/32/1321356832.db2.gz ZLKQTWUIMKZJNH-GXTWGEPZSA-N 1 0 337.395 3.477 20 5 EGBDRO CC(C)Oc1cc(C(=O)O[C@@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000842351257 1321376749 /nfs/dbraw/zinc/37/67/49/1321376749.db2.gz BIJOFCHMKCDPQE-LSDHHAIUSA-N 1 0 348.399 3.166 20 5 EGBDRO O=[N+]([O-])c1ccc2sc(-c3nc([C@H]4CCC[NH2+]C4)no3)cc2c1 ZINC000842661532 1321413937 /nfs/dbraw/zinc/41/39/37/1321413937.db2.gz LMMQOGYEXOPNKK-VIFPVBQESA-N 1 0 330.369 3.327 20 5 EGBDRO CC(C)[C@H]([NH3+])c1noc(-c2ccc([N+](=O)[O-])cc2Br)n1 ZINC000843155080 1321480155 /nfs/dbraw/zinc/48/01/55/1321480155.db2.gz OZYWOBSKMCZVOH-JTQLQIEISA-N 1 0 341.165 3.063 20 5 EGBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000843852500 1321553527 /nfs/dbraw/zinc/55/35/27/1321553527.db2.gz CXUNFQROZHCSMB-GFCCVEGCSA-N 1 0 337.395 3.037 20 5 EGBDRO CC[NH+](CC)CCCCNC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000859358288 1328974671 /nfs/dbraw/zinc/97/46/71/1328974671.db2.gz ZRWPBFPSDNBMQO-UHFFFAOYSA-N 1 0 327.812 3.100 20 5 EGBDRO CC(C)(C)[C@H](Cn1ccnc1)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000848522178 1321968135 /nfs/dbraw/zinc/96/81/35/1321968135.db2.gz VETABKKXRNOCPU-WBVHZDCISA-N 1 0 328.416 3.483 20 5 EGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@H](O)c1c(F)cccc1F ZINC000848532506 1321971221 /nfs/dbraw/zinc/97/12/21/1321971221.db2.gz AWWBFCOKFDRCID-HOCLYGCPSA-N 1 0 334.322 3.184 20 5 EGBDRO C[C@@](O)(CC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccccc1 ZINC000848547424 1321973437 /nfs/dbraw/zinc/97/34/37/1321973437.db2.gz NRCLHDHDXQTDEF-PKOBYXMFSA-N 1 0 326.396 3.470 20 5 EGBDRO C[N@@H+]1CCCC[C@H]1CCOC(=O)c1cc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000919515139 1322075454 /nfs/dbraw/zinc/07/54/54/1322075454.db2.gz XYBNTNMXNYQNQY-ZDUSSCGKSA-N 1 0 331.372 3.107 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC000850424516 1322244854 /nfs/dbraw/zinc/24/48/54/1322244854.db2.gz JSKIQWDWVQDPAM-BDJLRTHQSA-N 1 0 334.347 3.127 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@](C)(O)c1ccc(F)cc1 ZINC000850450235 1322251260 /nfs/dbraw/zinc/25/12/60/1322251260.db2.gz ZLUCKQDPQZHXAG-XIKOKIGWSA-N 1 0 348.374 3.301 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000931057450 1329038486 /nfs/dbraw/zinc/03/84/86/1329038486.db2.gz NIXCWPSHVPYVMK-CQSZACIVSA-N 1 0 334.420 3.065 20 5 EGBDRO C[C@@H]1CCCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])[C@@H]1CCC[NH3+] ZINC000851646022 1323067471 /nfs/dbraw/zinc/06/74/71/1323067471.db2.gz TWHGWSCOCVWRDQ-BXUZGUMPSA-N 1 0 339.823 3.228 20 5 EGBDRO COCC1([NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCOCC1 ZINC000852090672 1323144788 /nfs/dbraw/zinc/14/47/88/1323144788.db2.gz RADYPGALOWKWRA-UHFFFAOYSA-N 1 0 349.214 3.187 20 5 EGBDRO C[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])[C@@H](CO)Cc1ccccc1 ZINC000852288973 1323174969 /nfs/dbraw/zinc/17/49/69/1323174969.db2.gz HDLLDTLYASUUTO-MRXNPFEDSA-N 1 0 334.803 3.284 20 5 EGBDRO COc1ccc(C[NH2+][C@@H](C)C2(Br)CC2)cc1[N+](=O)[O-] ZINC000924843325 1323183710 /nfs/dbraw/zinc/18/37/10/1323183710.db2.gz ZBKMTMRFHDLTAN-VIFPVBQESA-N 1 0 329.194 3.009 20 5 EGBDRO CCOc1cc(CN2CCC(c3ncco3)CC2)ccc1[N+](=O)[O-] ZINC000931444650 1329118807 /nfs/dbraw/zinc/11/88/07/1329118807.db2.gz UHTOYMOZZVOGPP-UHFFFAOYSA-N 1 0 331.372 3.361 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000931494246 1329130283 /nfs/dbraw/zinc/13/02/83/1329130283.db2.gz GJAJRFYELZGTEJ-ZDUSSCGKSA-N 1 0 334.420 3.152 20 5 EGBDRO CC(=O)N[C@@H](c1ccccc1F)[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000925307924 1325119834 /nfs/dbraw/zinc/11/98/34/1325119834.db2.gz OWQVLLMGJPWLDK-KZULUSFZSA-N 1 0 345.374 3.089 20 5 EGBDRO CC(=O)N[C@@H](c1ccccc1F)[C@H](C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000925311635 1325120351 /nfs/dbraw/zinc/12/03/51/1325120351.db2.gz SLHMDPOJQHLXHK-KPZWWZAWSA-N 1 0 345.374 3.089 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(NCC2CC[NH+](Cc3ccncc3)CC2)n1 ZINC000853810739 1325166200 /nfs/dbraw/zinc/16/62/00/1325166200.db2.gz HCIPYDHDBXJSKH-UHFFFAOYSA-N 1 0 341.415 3.017 20 5 EGBDRO O=[N+]([O-])c1cc(CO)c(NC[C@@H](c2ccco2)[NH+]2CCCC2)cc1F ZINC000865406893 1329692605 /nfs/dbraw/zinc/69/26/05/1329692605.db2.gz MBCWBXOTXDQBKN-INIZCTEOSA-N 1 0 349.362 3.068 20 5 EGBDRO CC(C)[NH+](CCCNc1cc(F)c([N+](=O)[O-])cc1CO)C(C)C ZINC000865576622 1329715601 /nfs/dbraw/zinc/71/56/01/1329715601.db2.gz RIGUHWGULDKMNF-UHFFFAOYSA-N 1 0 327.400 3.147 20 5 EGBDRO CC(C)C[N@@H+]1CCC[C@@H](CNc2cc(F)c([N+](=O)[O-])cc2CO)C1 ZINC000865627088 1329722161 /nfs/dbraw/zinc/72/21/61/1329722161.db2.gz BATDAZJQPHYTQQ-ZDUSSCGKSA-N 1 0 339.411 3.006 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@H]1[C@H](C)c1ccccc1 ZINC000932275562 1329802642 /nfs/dbraw/zinc/80/26/42/1329802642.db2.gz PMPIUVXNKOLJEY-PBHICJAKSA-N 1 0 328.416 3.368 20 5 EGBDRO C[C@H]([NH2+][C@H](c1ccccn1)C1CC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000932379268 1329810074 /nfs/dbraw/zinc/81/00/74/1329810074.db2.gz XRRCWFVPNWHTLX-SJCJKPOMSA-N 1 0 340.383 3.058 20 5 EGBDRO CCCC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000932429360 1329814092 /nfs/dbraw/zinc/81/40/92/1329814092.db2.gz LWQOSLDDIMWFFO-ZWKOTPCHSA-N 1 0 345.443 3.079 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)Cc1cccnc1 ZINC000934234101 1329957401 /nfs/dbraw/zinc/95/74/01/1329957401.db2.gz JMSSOXZRIIQZME-AWEZNQCLSA-N 1 0 329.400 3.498 20 5 EGBDRO CCCN(CCC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])ccc1SC ZINC000935585863 1330061959 /nfs/dbraw/zinc/06/19/59/1330061959.db2.gz NOWLEGAMDSDTSZ-UHFFFAOYSA-N 1 0 339.461 3.121 20 5 EGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H](O)c1cccc(F)c1 ZINC000866241731 1330084316 /nfs/dbraw/zinc/08/43/16/1330084316.db2.gz FWRCKKROCMCSNH-DIFFPNOSSA-N 1 0 336.338 3.127 20 5 EGBDRO C[C@H](COCC(F)(F)F)[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866250375 1330085489 /nfs/dbraw/zinc/08/54/89/1330085489.db2.gz ZJKMGGHETSPWCV-VHSXEESVSA-N 1 0 338.301 3.222 20 5 EGBDRO COc1ccc(C[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])cc1O ZINC000866252756 1330085821 /nfs/dbraw/zinc/08/58/21/1330085821.db2.gz PBZLQYUOVMJLIL-LLVKDONJSA-N 1 0 334.347 3.169 20 5 EGBDRO Cc1nccn1CCCC[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866272025 1330088722 /nfs/dbraw/zinc/08/87/22/1330088722.db2.gz IKFGOZFCPKJPII-ZDUSSCGKSA-N 1 0 334.395 3.240 20 5 EGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H](CO)[C@@H](C)c1ccccc1 ZINC000866296754 1330092255 /nfs/dbraw/zinc/09/22/55/1330092255.db2.gz FEUZARNCKORPJB-GLJUWKHASA-N 1 0 346.402 3.419 20 5 EGBDRO Cc1cccc(NCC[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])n1 ZINC000866302974 1330093033 /nfs/dbraw/zinc/09/30/33/1330093033.db2.gz NGCXRDKODNUTIM-CYBMUJFWSA-N 1 0 332.379 3.070 20 5 EGBDRO Cc1cccc(C[C@H](CO)[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])c1 ZINC000866345898 1330099856 /nfs/dbraw/zinc/09/98/56/1330099856.db2.gz SUADXYLCHXWBBC-RDTXWAMCSA-N 1 0 346.402 3.167 20 5 EGBDRO C[C@H](C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)CC1(C)OCCO1 ZINC000866425228 1330110167 /nfs/dbraw/zinc/11/01/67/1330110167.db2.gz KIVXYBFTKPRUOA-GUYCJALGSA-N 1 0 334.416 3.351 20 5 EGBDRO Cc1cc(C)cc([C@@H](C)NC(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)c1 ZINC000867949036 1330232099 /nfs/dbraw/zinc/23/20/99/1330232099.db2.gz LVQVHYMSLUFSJM-KUHUBIRLSA-N 1 0 341.411 3.263 20 5 EGBDRO Cc1cc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c(C(C)(C)C)cc1Cl ZINC001225458512 1375112433 /nfs/dbraw/zinc/11/24/33/1375112433.db2.gz IUISRDZWXAMNQI-CYBMUJFWSA-N 1 0 342.887 3.309 20 5 EGBDRO C[C@H]1CCC[N@H+](CCNc2ncnc3c(Cl)cc([N+](=O)[O-])cc23)C1 ZINC001325489742 1387991015 /nfs/dbraw/zinc/99/10/15/1387991015.db2.gz QWSFQUWCFXLEKH-NSHDSACASA-N 1 0 349.822 3.335 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCCC[C@H]2[NH+](C)C)cc1Cl ZINC001325684926 1388030561 /nfs/dbraw/zinc/03/05/61/1388030561.db2.gz WZDWWKRMSPAGQP-UONOGXRCSA-N 1 0 339.823 3.159 20 5 EGBDRO Cc1cncc([N+](=O)[O-])c1N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC001117296534 1371034921 /nfs/dbraw/zinc/03/49/21/1371034921.db2.gz SJARVJFDUGQNDN-INIZCTEOSA-N 1 0 326.400 3.009 20 5 EGBDRO CC[NH+](CC)C1CCN(C(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC001326375587 1388170819 /nfs/dbraw/zinc/17/08/19/1388170819.db2.gz LBMPOQCEOAAYSJ-CQSZACIVSA-N 1 0 333.432 3.031 20 5 EGBDRO C[NH+]1CCN(c2ccccc2Nc2cccc([N+](=O)[O-])c2F)CC1 ZINC001210380284 1372338557 /nfs/dbraw/zinc/33/85/57/1372338557.db2.gz RPFBUMORMPLEBM-UHFFFAOYSA-N 1 0 330.363 3.229 20 5 EGBDRO Cc1ncc(-c2nc(-c3ccc(C[NH+](C)C)cc3)no2)cc1[N+](=O)[O-] ZINC001213212302 1372861889 /nfs/dbraw/zinc/86/18/89/1372861889.db2.gz NOYSKGMLXLZWOH-UHFFFAOYSA-N 1 0 339.355 3.077 20 5 EGBDRO Cc1cc(Br)cc([N+](=O)[O-])c1O[C@H]1C[NH2+]CCC[C@@H]1F ZINC001217977401 1373523214 /nfs/dbraw/zinc/52/32/14/1373523214.db2.gz ATGJXJCTJSAJSF-JQWIXIFHSA-N 1 0 347.184 3.135 20 5 EGBDRO C[C@H]1C[NH2+]CCC[C@H]1Oc1ccc(Br)c([N+](=O)[O-])c1 ZINC001217984568 1373526427 /nfs/dbraw/zinc/52/64/27/1373526427.db2.gz FVCUXMXXVYTSBO-TVQRCGJNSA-N 1 0 329.194 3.124 20 5 EGBDRO Cc1cc(O[C@H]2CCC[NH2+]C[C@H]2C)c([N+](=O)[O-])cc1Br ZINC001217988889 1373528312 /nfs/dbraw/zinc/52/83/12/1373528312.db2.gz PNFBXSQDVWCPAS-MFKMUULPSA-N 1 0 343.221 3.433 20 5 EGBDRO C[C@H]1C[NH2+]CCC[C@@H]1Oc1c(Br)c(F)ccc1[N+](=O)[O-] ZINC001217994744 1373529271 /nfs/dbraw/zinc/52/92/71/1373529271.db2.gz UXNQSSFSCPYZHC-KWQFWETISA-N 1 0 347.184 3.263 20 5 EGBDRO Cc1cc(Br)c(O[C@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC001217996633 1373530583 /nfs/dbraw/zinc/53/05/83/1373530583.db2.gz JATNNFSNHSGNLG-JTQLQIEISA-N 1 0 329.194 3.187 20 5 EGBDRO O=[N+]([O-])c1cc(F)c(Br)c(O[C@H]2CCC[NH2+]CC2)c1 ZINC001218001832 1373531492 /nfs/dbraw/zinc/53/14/92/1373531492.db2.gz YODAKUXOEZMEJB-VIFPVBQESA-N 1 0 333.157 3.017 20 5 EGBDRO C[C@@H](Oc1cc(N2CCCCC2)ccc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC001218004904 1373532348 /nfs/dbraw/zinc/53/23/48/1373532348.db2.gz GNKHWORRDNOZMI-CQSZACIVSA-N 1 0 333.432 3.352 20 5 EGBDRO O=[N+]([O-])c1ccc(O[C@@H]2CCC23CC[NH2+]CC3)c(Br)c1 ZINC001218082356 1373557136 /nfs/dbraw/zinc/55/71/36/1373557136.db2.gz ZXVZKWHBUUPFFQ-CYBMUJFWSA-N 1 0 341.205 3.268 20 5 EGBDRO O=[N+]([O-])c1ccc(Br)cc1OC1CC2(C1)CC[NH2+]CC2 ZINC001218103743 1373561673 /nfs/dbraw/zinc/56/16/73/1373561673.db2.gz UDNFSINVTSCNMF-UHFFFAOYSA-N 1 0 341.205 3.268 20 5 EGBDRO O=[N+]([O-])c1cc(OC(F)(F)F)ccc1O[C@H]1CC[C@@]12CC[NH2+]C2 ZINC001218121329 1373565128 /nfs/dbraw/zinc/56/51/28/1373565128.db2.gz XYGOQDQOCFYZIJ-STQMWFEESA-N 1 0 332.278 3.014 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2ccc(O[C@@H]3CC[C@@H]4[NH2+]CCO[C@@H]34)cc2)c1 ZINC001218127819 1373566306 /nfs/dbraw/zinc/56/63/06/1373566306.db2.gz DOJDDJUDAOHKDP-IPMKNSEASA-N 1 0 340.379 3.160 20 5 EGBDRO O=[N+]([O-])c1cc(Br)ccc1O[C@H]1CC[NH2+]C2(CCC2)C1 ZINC001218305857 1373592273 /nfs/dbraw/zinc/59/22/73/1373592273.db2.gz DZUVTLCSPWIXPE-NSHDSACASA-N 1 0 341.205 3.411 20 5 EGBDRO C[C@@H](Oc1ccc(CN2CC[NH2+]CC2)cc1)c1ccccc1[N+](=O)[O-] ZINC001218318359 1373595187 /nfs/dbraw/zinc/59/51/87/1373595187.db2.gz URWRAOODQHLSDY-OAHLLOKOSA-N 1 0 341.411 3.140 20 5 EGBDRO Cc1c(Cl)cc([N+](=O)[O-])c(O[C@@H]2C[NH2+][C@H]2C)c1Br ZINC001218386000 1373604398 /nfs/dbraw/zinc/60/43/98/1373604398.db2.gz JMAMNSIROWJMER-IMTBSYHQSA-N 1 0 335.585 3.058 20 5 EGBDRO CC1(C)C[C@@H](Oc2cc(Br)cc([N+](=O)[O-])c2)CC[NH2+]1 ZINC001218473381 1373620395 /nfs/dbraw/zinc/62/03/95/1373620395.db2.gz XVHTYWHBXRSABA-NSHDSACASA-N 1 0 329.194 3.267 20 5 EGBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])C1CCCCCCC1 ZINC001131145652 1373651999 /nfs/dbraw/zinc/65/19/99/1373651999.db2.gz FDILMZHAHAGBDH-UHFFFAOYSA-N 1 0 333.432 3.161 20 5 EGBDRO [NH3+][C@@H](C(=O)Nc1cc2cccnc2c2ncccc12)c1ccccc1 ZINC001218979295 1373673513 /nfs/dbraw/zinc/67/35/13/1373673513.db2.gz KGEQKTCDJNYKIV-QGZVFWFLSA-N 1 0 328.375 3.422 20 5 EGBDRO [NH3+][C@@H](Cc1c2ccccc2cc2ccccc21)C(=O)NCC(F)F ZINC001219561181 1373716331 /nfs/dbraw/zinc/71/63/31/1373716331.db2.gz CIADSRLBQJUZIW-KRWDZBQOSA-N 1 0 328.362 3.244 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1-c1noc([C@@H]2CC23CC[NH2+]CC3)n1 ZINC001327005646 1388364323 /nfs/dbraw/zinc/36/43/23/1388364323.db2.gz TXHYODRCMAEIMO-ZDUSSCGKSA-N 1 0 328.372 3.119 20 5 EGBDRO CC(C)(C)[NH+]1CCC(Oc2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC001226442271 1375259187 /nfs/dbraw/zinc/25/91/87/1375259187.db2.gz ZJQNTKFAJBOLRK-UHFFFAOYSA-N 1 0 330.388 3.180 20 5 EGBDRO O=C(CCC1CCC1)NC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001226785661 1375333532 /nfs/dbraw/zinc/33/35/32/1375333532.db2.gz AVPBGJFBCDNZHC-UHFFFAOYSA-N 1 0 345.443 3.256 20 5 EGBDRO CC[NH+](CC)C[C@H](C)Oc1ncnc2cc(Cl)c([N+](=O)[O-])cc21 ZINC001227364341 1375422768 /nfs/dbraw/zinc/42/27/68/1375422768.db2.gz NUBFBHMENQVIFU-JTQLQIEISA-N 1 0 338.795 3.301 20 5 EGBDRO O=[N+]([O-])c1ccc(O[C@H]2CC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001227462417 1375433350 /nfs/dbraw/zinc/43/33/50/1375433350.db2.gz DZXDZIZUWNPQNB-HNNXBMFYSA-N 1 0 343.339 3.156 20 5 EGBDRO C[C@H](C[N+](C)(C)C)Oc1cccc2c1C(=O)c1c(O)cccc1C2 ZINC001228485262 1375578793 /nfs/dbraw/zinc/57/87/93/1375578793.db2.gz SGLOOKGFKYASKL-CYBMUJFWSA-O 1 0 326.416 3.001 20 5 EGBDRO Cc1cc([N+](=O)[O-])cc(C)c1O[C@H]1CC[C@H]([NH+]2CCOCC2)CC1 ZINC001228572115 1375601406 /nfs/dbraw/zinc/60/14/06/1375601406.db2.gz XBOKXWDIUWEWKT-JCNLHEQBSA-N 1 0 334.416 3.234 20 5 EGBDRO COCCC[NH+]1CCC(Oc2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC001229010007 1375735048 /nfs/dbraw/zinc/73/50/48/1375735048.db2.gz YGTUHPBQJVJWMU-UHFFFAOYSA-N 1 0 345.399 3.023 20 5 EGBDRO CCC(=O)c1cc([N+](=O)[O-])ccc1O[C@H]1[C@@H]2CCC[C@H]1C[N@@H+](C)C2 ZINC001229179617 1375782162 /nfs/dbraw/zinc/78/21/62/1375782162.db2.gz NRJAMFFLFKJGHL-MCBXIFIFSA-N 1 0 332.400 3.297 20 5 EGBDRO Cc1cc(F)cc([N+](=O)[O-])c1OC[C@@H]1CCC2(CC[NH+](C)CC2)O1 ZINC001229199800 1375785690 /nfs/dbraw/zinc/78/56/90/1375785690.db2.gz ZSUPAIJFWAXFMV-AWEZNQCLSA-N 1 0 338.379 3.065 20 5 EGBDRO O=C(Nc1cc2cccnc2c2ncccc12)[C@H]1CC2CC[NH+]1CC2 ZINC001142633418 1378466457 /nfs/dbraw/zinc/46/64/57/1378466457.db2.gz VQGYZGLYNQTBRB-QGZVFWFLSA-N 1 0 332.407 3.206 20 5 EGBDRO CCc1cc(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)sc1C ZINC001150386962 1379544419 /nfs/dbraw/zinc/54/44/19/1379544419.db2.gz BURLYLCTZNMNOF-UHFFFAOYSA-N 1 0 347.440 3.047 20 5 EGBDRO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)c1cccc2nc3ccccc3nc21 ZINC001153870630 1380147553 /nfs/dbraw/zinc/14/75/53/1380147553.db2.gz KUDPHGDOJSVHFT-HKUYNNGSSA-N 1 0 348.450 3.386 20 5 EGBDRO Cc1cc(NC[C@@H]2CCC[NH2+]C[C@@H]2C)nc2ccc([N+](=O)[O-])cc12 ZINC001155023603 1380393182 /nfs/dbraw/zinc/39/31/82/1380393182.db2.gz FEGWTGYDYVWSOS-KBPBESRZSA-N 1 0 328.416 3.499 20 5 EGBDRO O=[N+]([O-])c1ccc2ccnc(NCc3ccc4c(c3)CC[NH2+]C4)c2c1 ZINC001155267668 1380431173 /nfs/dbraw/zinc/43/11/73/1380431173.db2.gz CCTZLYSUEBJHKG-UHFFFAOYSA-N 1 0 334.379 3.401 20 5 EGBDRO COc1cc(C)nc(-n2ccc3cc([C@H](C)[NH3+])ccc32)c1[N+](=O)[O-] ZINC001155340210 1380438805 /nfs/dbraw/zinc/43/88/05/1380438805.db2.gz ZSFPPZRFBGYHNS-NSHDSACASA-N 1 0 326.356 3.270 20 5 EGBDRO O=[N+]([O-])c1ccc2ncnc(N[C@@H]3CC[NH2+][C@H]3c3ccccc3)c2c1 ZINC001155550304 1380467136 /nfs/dbraw/zinc/46/71/36/1380467136.db2.gz UMNCTAGJDARATJ-SJORKVTESA-N 1 0 335.367 3.053 20 5 EGBDRO O=C(CC1=CCCCC1)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001155741541 1380488432 /nfs/dbraw/zinc/48/84/32/1380488432.db2.gz WBMUVKRHUHISQW-UHFFFAOYSA-N 1 0 331.416 3.081 20 5 EGBDRO O=[N+]([O-])c1ccc2ccnc(N3CC[NH2+]C[C@@H]3c3cccs3)c2c1 ZINC001156110121 1380526370 /nfs/dbraw/zinc/52/63/70/1380526370.db2.gz ISCBXXUHQOVOFV-OAHLLOKOSA-N 1 0 340.408 3.355 20 5 EGBDRO CC(C)[NH+]1CCC(CNc2ncnc3cc([N+](=O)[O-])ccc32)CC1 ZINC001156496137 1380583833 /nfs/dbraw/zinc/58/38/33/1380583833.db2.gz VDJMRRNFOYXWJD-UHFFFAOYSA-N 1 0 329.404 3.070 20 5 EGBDRO O=C(NCCC[NH2+]Cc1csc([N+](=O)[O-])c1)C(F)=C1CCCC1 ZINC001156540772 1380591033 /nfs/dbraw/zinc/59/10/33/1380591033.db2.gz IJXUISHIPWEZPP-UHFFFAOYSA-N 1 0 341.408 3.050 20 5 EGBDRO CC(C)[N@H+](C)[C@H]1CCN(c2nc(Cl)c(Cl)cc2[N+](=O)[O-])C1 ZINC001157010563 1380751455 /nfs/dbraw/zinc/75/14/55/1380751455.db2.gz SBEPTTBEJHYAJD-VIFPVBQESA-N 1 0 333.219 3.216 20 5 EGBDRO C[N@@H+]1CCC[C@H]2CN(c3ccc4c(ccc(Cl)c4[N+](=O)[O-])n3)C[C@H]21 ZINC001157266833 1380827335 /nfs/dbraw/zinc/82/73/35/1380827335.db2.gz XVFRUPREEJBQGO-XHDPSFHLSA-N 1 0 346.818 3.327 20 5 EGBDRO O=[N+]([O-])c1c(Cl)ccnc1N(Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC001157426342 1380883367 /nfs/dbraw/zinc/88/33/67/1380883367.db2.gz POROEZHUQDFARX-AWEZNQCLSA-N 1 0 346.818 3.402 20 5 EGBDRO [NH3+][C@H]1CC[C@H](N(Cc2ccccc2F)c2cc([N+](=O)[O-])ccn2)CC1 ZINC001158147265 1381141258 /nfs/dbraw/zinc/14/12/58/1381141258.db2.gz VFFYWGRZVJSBBX-SHTZXODSSA-N 1 0 344.390 3.405 20 5 EGBDRO CCN(c1cc2ccc(Cl)nc2cc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC001158207625 1381158778 /nfs/dbraw/zinc/15/87/78/1381158778.db2.gz SBFNVOIPPWLYDV-GFCCVEGCSA-N 1 0 334.807 3.375 20 5 EGBDRO c1cnc2c(c1)ccc1ccc(N3CCO[C@H](C[NH+]4CCCC4)C3)nc12 ZINC001158305568 1381194207 /nfs/dbraw/zinc/19/42/07/1381194207.db2.gz REZWTWCZKUNXEY-GOSISDBHSA-N 1 0 348.450 3.084 20 5 EGBDRO CC(C)[N@@H+]1CCN(c2cc3ncnc(Cl)c3cc2[N+](=O)[O-])C[C@@H]1C ZINC001158495173 1381268927 /nfs/dbraw/zinc/26/89/27/1381268927.db2.gz XEYDUKXRDJRKAJ-NSHDSACASA-N 1 0 349.822 3.110 20 5 EGBDRO Cc1cc(N2CCCc3ccc(C[NH3+])nc32)nc2ccc([N+](=O)[O-])cc12 ZINC001158649945 1381337616 /nfs/dbraw/zinc/33/76/16/1381337616.db2.gz SHHZNJZTTXENTC-UHFFFAOYSA-N 1 0 349.394 3.389 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1Nc1ccc(OCC2CC[NH2+]CC2)nc1 ZINC001159344645 1381772252 /nfs/dbraw/zinc/77/22/52/1381772252.db2.gz WXMSDFVDJDRVDE-UHFFFAOYSA-N 1 0 342.399 3.420 20 5 EGBDRO O=[N+]([O-])c1ccc(F)c(Nc2ccc(CN3CC[NH2+]CC3)cc2)c1F ZINC001159572081 1381834045 /nfs/dbraw/zinc/83/40/45/1381834045.db2.gz ZUMYVZNMTGCJCH-UHFFFAOYSA-N 1 0 348.353 3.022 20 5 EGBDRO [NH3+][C@H]1CCc2c3ccccc3n(-c3cc(Cl)ncc3[N+](=O)[O-])c2C1 ZINC001159947950 1381946374 /nfs/dbraw/zinc/94/63/74/1381946374.db2.gz QQKZGVBDJBBSSK-JTQLQIEISA-N 1 0 342.786 3.403 20 5 EGBDRO [NH3+][C@H]1CCc2c3ccccc3n(-c3nccc(Cl)c3[N+](=O)[O-])c2C1 ZINC001159949013 1381946785 /nfs/dbraw/zinc/94/67/85/1381946785.db2.gz YFRBKAYYVZZFDX-JTQLQIEISA-N 1 0 342.786 3.403 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1Nc1ccc(O[C@@H]2CCC[NH2+]C2)cc1 ZINC001159949106 1381947158 /nfs/dbraw/zinc/94/71/58/1381947158.db2.gz LGJYLGZJPTVGEX-MRXNPFEDSA-N 1 0 343.383 3.478 20 5 EGBDRO [NH3+][C@@H]1CCCN(c2ccccc2Nc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001159982887 1381958578 /nfs/dbraw/zinc/95/85/78/1381958578.db2.gz QBQJDSBDLFWVJU-CYBMUJFWSA-N 1 0 330.363 3.405 20 5 EGBDRO [NH3+]C[C@H]1COc2ccccc2N1c1ncc([N+](=O)[O-])c2ccccc21 ZINC001160199615 1382031426 /nfs/dbraw/zinc/03/14/26/1382031426.db2.gz LECGNQVDUGJCDG-LBPRGKRZSA-N 1 0 336.351 3.001 20 5 EGBDRO CCC(CC)[NH+]1CCC(Nc2nc(Cl)nc(C)c2[N+](=O)[O-])CC1 ZINC001161095223 1382295038 /nfs/dbraw/zinc/29/50/38/1382295038.db2.gz RLGNFOMIPQFUIX-UHFFFAOYSA-N 1 0 341.843 3.412 20 5 EGBDRO Cc1cc(N[C@H]2CCC[C@@H]([NH3+])C2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001162393910 1382746663 /nfs/dbraw/zinc/74/66/63/1382746663.db2.gz NEAOGSDGASWTNP-KGLIPLIRSA-N 1 0 327.388 3.042 20 5 EGBDRO O=[N+]([O-])c1c(Cl)c2ccccc2nc1NC[C@@H]1CC[NH2+]C[C@@H]1F ZINC001162801861 1382876666 /nfs/dbraw/zinc/87/66/66/1382876666.db2.gz HWEBZELBZOYNDD-ONGXEEELSA-N 1 0 338.770 3.156 20 5 EGBDRO C[C@@H]([NH3+])c1ccc2c(ccn2-c2cc3c(c([N+](=O)[O-])c2)NN(C)C3)c1 ZINC001162914688 1382915209 /nfs/dbraw/zinc/91/52/09/1382915209.db2.gz XCPSGPLJQHQVMO-LLVKDONJSA-N 1 0 337.383 3.331 20 5 EGBDRO Cc1c(F)cc([N+](=O)[O-])cc1NC[C@@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001162965861 1382930660 /nfs/dbraw/zinc/93/06/60/1382930660.db2.gz ALLKNLVGHXKPTK-AWEZNQCLSA-N 1 0 337.395 3.003 20 5 EGBDRO Cc1c(N[C@@H]2CC[NH2+][C@H]2c2ccccc2)ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001163215793 1382995102 /nfs/dbraw/zinc/99/51/02/1382995102.db2.gz SNDMRCKJXGRZEO-ZBFHGGJFSA-N 1 0 342.355 3.327 20 5 EGBDRO O=[N+]([O-])c1cc(NC[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)cc2ccccc21 ZINC001163290244 1383013386 /nfs/dbraw/zinc/01/33/86/1383013386.db2.gz YKAHUWDFOHZFPO-IFXJQAMLSA-N 1 0 341.411 3.319 20 5 EGBDRO COc1nc(NC2CC[NH+](C[C@@H]3CC=CCC3)CC2)ccc1[N+](=O)[O-] ZINC001163315881 1383019614 /nfs/dbraw/zinc/01/96/14/1383019614.db2.gz TUKINJHDMGRGPO-CQSZACIVSA-N 1 0 346.431 3.231 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(OC(C)C)cc1N[C@@H]1CCO[C@]2(CC[NH2+]C2)C1 ZINC001163334483 1383024866 /nfs/dbraw/zinc/02/48/66/1383024866.db2.gz WPACBVOFKZFZKU-RDTXWAMCSA-N 1 0 349.431 3.013 20 5 EGBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2CCN(C)C[C@H]2c2ccccc2)n1 ZINC001163669217 1383100221 /nfs/dbraw/zinc/10/02/21/1383100221.db2.gz KHCAWKQZYVRDOO-HNNXBMFYSA-N 1 0 346.818 3.445 20 5 EGBDRO CC[N@@H+]1CCCN(c2cc(Cl)nc3ccc([N+](=O)[O-])cc32)CC1 ZINC001163776240 1383121080 /nfs/dbraw/zinc/12/10/80/1383121080.db2.gz NJJQDPOOKDEXHM-UHFFFAOYSA-N 1 0 334.807 3.328 20 5 EGBDRO C[C@H]1CC[C@H](C[NH3+])CN1c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC001164474720 1383190368 /nfs/dbraw/zinc/19/03/68/1383190368.db2.gz UEQMBFAUTAAGJW-QWHCGFSZSA-N 1 0 344.390 3.360 20 5 EGBDRO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1N(C)c1cccc([N+](=O)[O-])n1 ZINC001165184594 1383243521 /nfs/dbraw/zinc/24/35/21/1383243521.db2.gz XJQXWVUPGXHXEV-WBVHZDCISA-N 1 0 340.427 3.337 20 5 EGBDRO O=[N+]([O-])/C=C\c1ccc(Nc2ccccc2CN2CC[NH2+]CC2)cc1 ZINC001165213750 1383250484 /nfs/dbraw/zinc/25/04/84/1383250484.db2.gz SLPWTQJQEXYTAE-XFXZXTDPSA-N 1 0 338.411 3.083 20 5 EGBDRO Cc1cc(N2CCC3(CC([NH3+])C3)CC2)nc2ccc([N+](=O)[O-])cc12 ZINC001165243367 1383256745 /nfs/dbraw/zinc/25/67/45/1383256745.db2.gz IEKCZRQVLFYBLT-UHFFFAOYSA-N 1 0 326.400 3.159 20 5 EGBDRO O=[N+]([O-])c1cc2ccccc2nc1N1CCC2(CCCC[NH2+]2)CC1 ZINC001165246083 1383256944 /nfs/dbraw/zinc/25/69/44/1383256944.db2.gz BDXBDHXPAKLABB-UHFFFAOYSA-N 1 0 326.400 3.256 20 5 EGBDRO Cc1cc(Cl)nc(N2C[C@H]3c4ccccc4C[NH2+][C@@H]3C2)c1[N+](=O)[O-] ZINC001165349920 1383279924 /nfs/dbraw/zinc/27/99/24/1383279924.db2.gz JQLZTLDHWZHGOX-UONOGXRCSA-N 1 0 344.802 3.027 20 5 EGBDRO O=[N+]([O-])c1cc(F)cnc1-n1c([C@@H]2CCC[NH2+]2)cc2ccccc21 ZINC001166651219 1383453004 /nfs/dbraw/zinc/45/30/04/1383453004.db2.gz KJDUVLKGJCJKGZ-ZDUSSCGKSA-N 1 0 326.331 3.497 20 5 EGBDRO CCC(C)(C)C(=O)NCCC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001166935227 1383501855 /nfs/dbraw/zinc/50/18/55/1383501855.db2.gz HZGLIHLLEZPHIN-UHFFFAOYSA-N 1 0 347.459 3.407 20 5 EGBDRO Cc1cc(-n2ccnc2[C@H]2CCC[NH2+]C2)nc2ccc([N+](=O)[O-])cc12 ZINC001167056380 1383529619 /nfs/dbraw/zinc/52/96/19/1383529619.db2.gz MSSCUHGMQUHSRO-ZDUSSCGKSA-N 1 0 337.383 3.104 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)cc(-n2c3ccc(F)cc3c3c2CC[NH2+]C3)n1 ZINC001167087059 1383536919 /nfs/dbraw/zinc/53/69/19/1383536919.db2.gz GWCIPRQNCOYWDO-UHFFFAOYSA-N 1 0 346.749 3.372 20 5 EGBDRO [NH3+]Cc1nn(-c2cc(C(F)(F)F)ccc2[N+](=O)[O-])c2ccccc12 ZINC001167698313 1383714150 /nfs/dbraw/zinc/71/41/50/1383714150.db2.gz YFOLOKODCCUIBM-UHFFFAOYSA-N 1 0 336.273 3.411 20 5 EGBDRO O=[N+]([O-])c1cc2c(cc1N[C@@H]1C[C@H]1c1ccc(F)c(F)c1)C[NH2+]C2 ZINC001168067020 1383809196 /nfs/dbraw/zinc/80/91/96/1383809196.db2.gz FBIVTMUMCIVENV-SWLSCSKDSA-N 1 0 331.322 3.444 20 5 EGBDRO CCOC(=O)C1=C(Nc2cc3c(cc2[N+](=O)[O-])C[NH2+]C3)CCCC1 ZINC001168561299 1383936543 /nfs/dbraw/zinc/93/65/43/1383936543.db2.gz GQGAHMPZSZBLPK-UHFFFAOYSA-N 1 0 331.372 3.001 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2cccc(Br)c2F)C1 ZINC001168958952 1384070587 /nfs/dbraw/zinc/07/05/87/1384070587.db2.gz RJJIJFBWIVEYEE-GXSJLCMTSA-N 1 0 331.185 3.123 20 5 EGBDRO CC(C)(C)C(=O)Oc1ccc(CC[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001168955506 1384070894 /nfs/dbraw/zinc/07/08/94/1384070894.db2.gz BBLZSWSSGNJEQJ-CVEARBPZSA-N 1 0 348.443 3.216 20 5 EGBDRO COc1ccc2c(c1)c(C[C@H](C)[NH3+])cn2[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168969513 1384073881 /nfs/dbraw/zinc/07/38/81/1384073881.db2.gz FDMDFKWYEFRKHZ-GZBFAFLISA-N 1 0 331.416 3.158 20 5 EGBDRO [NH3+]CCCc1nc2ccc(Cl)cc2n1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168979224 1384077747 /nfs/dbraw/zinc/07/77/47/1384077747.db2.gz XFWULAFODOCYQF-YPMHNXCESA-N 1 0 336.823 3.199 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2ccc(Br)c(Cl)n2)C1 ZINC001168983665 1384079555 /nfs/dbraw/zinc/07/95/55/1384079555.db2.gz KIXFNFXZLKCEJA-IUCAKERBSA-N 1 0 348.628 3.033 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+][C@@H]2CCc3c2cccc3Br)C1 ZINC001168988018 1384080214 /nfs/dbraw/zinc/08/02/14/1384080214.db2.gz MPCXBQOCNCYGMG-FIXISWKDSA-N 1 0 339.233 3.471 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+][C@@H](c2ccccc2)[C@@H](O)c2ccccc2)C1 ZINC001168997075 1384081791 /nfs/dbraw/zinc/08/17/91/1384081791.db2.gz XKERKSDGZFXBHR-KNTRFNDTSA-N 1 0 340.423 3.496 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CCc2cc(Br)cs2)C1 ZINC001169003643 1384085343 /nfs/dbraw/zinc/08/53/43/1384085343.db2.gz OVEUGNMQCZCNJS-ONGXEEELSA-N 1 0 333.251 3.088 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CCc2ccc(Oc3ccccc3)nc2)C1 ZINC001169006469 1384086464 /nfs/dbraw/zinc/08/64/64/1384086464.db2.gz XWGYNJOHZZWWLI-DLBZAZTESA-N 1 0 341.411 3.451 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCc3ccc(Br)cc3C2)C1 ZINC001169033275 1384094527 /nfs/dbraw/zinc/09/45/27/1384094527.db2.gz BQTZCLJRTMNZJM-IAQYHMDHSA-N 1 0 339.233 3.253 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@H+](CCCCCCO)Cc2ccccc2)C1 ZINC001169046947 1384100301 /nfs/dbraw/zinc/10/03/01/1384100301.db2.gz PBJBARTXAHAGHB-RBUKOAKNSA-N 1 0 334.460 3.487 20 5 EGBDRO C[C@H]1CCN(Cc2ccccc2)C[C@@H]1[N@H+](C)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169047466 1384100408 /nfs/dbraw/zinc/10/04/08/1384100408.db2.gz REKUVUIQGXILNI-FFGOWVMKSA-N 1 0 345.487 3.274 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2Cl)C1 ZINC001169051957 1384100976 /nfs/dbraw/zinc/10/09/76/1384100976.db2.gz DRDSUKDVCMPKCU-QPSCCSFWSA-N 1 0 335.835 3.048 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(OC(C)C)cc1-n1ncc2c1cccc2C[NH3+] ZINC001169195754 1384121530 /nfs/dbraw/zinc/12/15/30/1384121530.db2.gz PWJKXUDFQLWTPS-UHFFFAOYSA-N 1 0 340.383 3.488 20 5 EGBDRO CCCSc1nc(Cl)c([N+](=O)[O-])c(NCC[C@H]2CCC[NH2+]2)n1 ZINC001169558466 1384159547 /nfs/dbraw/zinc/15/95/47/1384159547.db2.gz DWNJWQZUGRGQNE-SECBINFHSA-N 1 0 345.856 3.094 20 5 EGBDRO CC(C)(C)OC(=O)c1ccc(NCC[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC001169567315 1384160390 /nfs/dbraw/zinc/16/03/90/1384160390.db2.gz KUJKJTOBVUCSRA-GFCCVEGCSA-N 1 0 335.404 3.104 20 5 EGBDRO COc1cc(N2CCC[C@H]([NH3+])c3cc(C)ccc32)cnc1[N+](=O)[O-] ZINC001169692453 1384174533 /nfs/dbraw/zinc/17/45/33/1384174533.db2.gz TWLIRQQWKBXPSW-AWEZNQCLSA-N 1 0 328.372 3.239 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+]CCN(C(C)C)C(C)C)c([N+](=O)[O-])c1 ZINC001170299120 1384285268 /nfs/dbraw/zinc/28/52/68/1384285268.db2.gz QKIJJYHBVZSMBE-OAHLLOKOSA-N 1 0 337.464 3.243 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2nc3ccccc3o2)c([N+](=O)[O-])c1 ZINC001170300396 1384285977 /nfs/dbraw/zinc/28/59/77/1384285977.db2.gz ZTBOBOFQCMNNBK-GFCCVEGCSA-N 1 0 341.367 3.465 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+]CCOc2cccc(F)c2)c([N+](=O)[O-])c1 ZINC001170304480 1384286592 /nfs/dbraw/zinc/28/65/92/1384286592.db2.gz CHQZHDXBASMMTH-CYBMUJFWSA-N 1 0 348.374 3.342 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+][C@H]2CCN(CC(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC001170317480 1384289886 /nfs/dbraw/zinc/28/98/86/1384289886.db2.gz JFGXNPXDSXMUBD-HOCLYGCPSA-N 1 0 349.475 3.244 20 5 EGBDRO CCOc1ccnc(C[NH2+][C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])c1 ZINC001170324193 1384291117 /nfs/dbraw/zinc/29/11/17/1384291117.db2.gz PVULPPSCEFWZPL-CYBMUJFWSA-N 1 0 345.399 3.118 20 5 EGBDRO COc1ccc(C[C@H](C)[N@H+](C)CCc2cccnc2)c([N+](=O)[O-])c1 ZINC001170345267 1384295745 /nfs/dbraw/zinc/29/57/45/1384295745.db2.gz JKEMHLYCOAPOCW-AWEZNQCLSA-N 1 0 329.400 3.104 20 5 EGBDRO COc1ccc(C[C@@H](C)[N@@H+]2CC[C@@]3(CC3(F)F)C2)c([N+](=O)[O-])c1 ZINC001170345462 1384296063 /nfs/dbraw/zinc/29/60/63/1384296063.db2.gz LATIZESUNDFNRL-IAQYHMDHSA-N 1 0 326.343 3.266 20 5 EGBDRO CCCCC[NH+]1CCN([C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC001170344349 1384296178 /nfs/dbraw/zinc/29/61/78/1384296178.db2.gz AYBQGBXKJZUQDN-MRXNPFEDSA-N 1 0 349.475 3.342 20 5 EGBDRO COc1ccc(C[C@H](C)[N@@H+]2CC[C@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC001170347105 1384296926 /nfs/dbraw/zinc/29/69/26/1384296926.db2.gz QFLJNVLOZLOIGJ-JQWIXIFHSA-N 1 0 332.322 3.419 20 5 EGBDRO COc1ccc(C[C@H](C)[N@@H+]2CCc3ncc(C)cc3C2)c([N+](=O)[O-])c1 ZINC001170354394 1384299361 /nfs/dbraw/zinc/29/93/61/1384299361.db2.gz KPVOLCHMETYAQZ-AWEZNQCLSA-N 1 0 341.411 3.296 20 5 EGBDRO C[C@@H](Nc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1)[C@@H]1C[NH2+]CCO1 ZINC001170569057 1384344221 /nfs/dbraw/zinc/34/42/21/1384344221.db2.gz HWALHFRLLYSQJH-ACJLOTCBSA-N 1 0 327.384 3.051 20 5 EGBDRO O=[N+]([O-])c1ncccc1N[C@@H](Cc1ccccc1)C[NH+]1CCCC1 ZINC001170752675 1384379296 /nfs/dbraw/zinc/37/92/96/1384379296.db2.gz VDPMDVZJTDTHLK-INIZCTEOSA-N 1 0 326.400 3.109 20 5 EGBDRO Cc1cc(Cl)c(N2c3ccccc3OC[C@@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC001171395309 1384512093 /nfs/dbraw/zinc/51/20/93/1384512093.db2.gz FOVBXNYTOQJWSB-NSHDSACASA-N 1 0 333.775 3.414 20 5 EGBDRO [NH3+]C[C@H]1COc2ccccc2N1c1ccc([N+](=O)[O-])c2cnccc21 ZINC001171401483 1384513117 /nfs/dbraw/zinc/51/31/17/1384513117.db2.gz WKYBTCSKBGQXSD-LBPRGKRZSA-N 1 0 336.351 3.001 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]CC1Oc3ccccc3O1)CC2 ZINC001172904322 1384874624 /nfs/dbraw/zinc/87/46/24/1384874624.db2.gz WZMYDMZFZQWTQH-OAHLLOKOSA-N 1 0 340.379 3.229 20 5 EGBDRO CC(C)n1cnc(C[NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)c1 ZINC001172903482 1384874872 /nfs/dbraw/zinc/87/48/72/1384874872.db2.gz GPMMRHQABOJTDS-MRXNPFEDSA-N 1 0 328.416 3.409 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH+]1CCC3(C[C@@H]3CCO)CC1)CC2 ZINC001172904208 1384875129 /nfs/dbraw/zinc/87/51/29/1384875129.db2.gz MARPHDCEEYIQKN-ZWKOTPCHSA-N 1 0 344.455 3.327 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CCN3CCCC[C@@H]3C1)CC2 ZINC001172911317 1384876262 /nfs/dbraw/zinc/87/62/62/1384876262.db2.gz SGGQQSBONOQAQZ-IEBWSBKVSA-N 1 0 329.444 3.012 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]C[C@@H](CO)c1ccccc1)CC2 ZINC001172909133 1384876409 /nfs/dbraw/zinc/87/64/09/1384876409.db2.gz PDLUMKARJYZSRP-RBUKOAKNSA-N 1 0 340.423 3.208 20 5 EGBDRO C[N@H+](CCc1cccnc1)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172912896 1384876933 /nfs/dbraw/zinc/87/69/33/1384876933.db2.gz CMLRAGPZABIZDQ-SFHVURJKSA-N 1 0 325.412 3.412 20 5 EGBDRO C[NH2+]Cc1c(C)nn([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)c1C ZINC001172921757 1384879921 /nfs/dbraw/zinc/87/99/21/1384879921.db2.gz SGKYEZSEJYCILE-MRXNPFEDSA-N 1 0 328.416 3.248 20 5 EGBDRO C[N@H+](CC1CC1)C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173014078 1384897672 /nfs/dbraw/zinc/89/76/72/1384897672.db2.gz JXRQUSVQMZJSDR-UHFFFAOYSA-N 1 0 325.359 3.184 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@H]2CCC(F)(F)C2)c1F ZINC001173175895 1384931721 /nfs/dbraw/zinc/93/17/21/1384931721.db2.gz URALUSHTYQRHMQ-ZJUUUORDSA-N 1 0 332.322 3.451 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH+]2CCC(C)(F)CC2)c1F ZINC001173179811 1384932569 /nfs/dbraw/zinc/93/25/69/1384932569.db2.gz HDWSCPFCUKWIFD-LLVKDONJSA-N 1 0 328.359 3.498 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C(C)(C)CC(C)=O)c1F ZINC001173181118 1384932596 /nfs/dbraw/zinc/93/25/96/1384932596.db2.gz DDLXZLNKNYCYHX-SNVBAGLBSA-N 1 0 326.368 3.021 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@@H]2CCc3ncccc32)c1F ZINC001173184615 1384932781 /nfs/dbraw/zinc/93/27/81/1384932781.db2.gz RWWHLNLKDFEQDJ-XHDPSFHLSA-N 1 0 345.374 3.346 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CCC[C@@H](CF)C2)c1F ZINC001173190730 1384933415 /nfs/dbraw/zinc/93/34/15/1384933415.db2.gz WGYISDJIVAQKQN-RYUDHWBXSA-N 1 0 328.359 3.355 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](CN(C)C)c1ccccc1 ZINC001173215328 1384937572 /nfs/dbraw/zinc/93/75/72/1384937572.db2.gz VARWOUVOVGLPAQ-KXBFYZLASA-N 1 0 327.428 3.418 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1CCN(c2cccnc2)CC1 ZINC001173219875 1384938629 /nfs/dbraw/zinc/93/86/29/1384938629.db2.gz QAPMEYSZTCAPTK-OAHLLOKOSA-N 1 0 340.427 3.179 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@](O)(C(F)(F)F)[C@@H](C)C1 ZINC001173223050 1384939243 /nfs/dbraw/zinc/93/92/43/1384939243.db2.gz WWHODNKFHFHYGS-ZOWXZIJZSA-N 1 0 346.349 3.161 20 5 EGBDRO Cc1cnc(N2CC[NH+]([C@H](C)Cc3ccc([N+](=O)[O-])cc3)CC2)s1 ZINC001173226399 1384939933 /nfs/dbraw/zinc/93/99/33/1384939933.db2.gz JRNURZZTCTVFPP-CYBMUJFWSA-N 1 0 346.456 3.113 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCOC[C@H]1Cc1ccccc1 ZINC001173231492 1384940603 /nfs/dbraw/zinc/94/06/03/1384940603.db2.gz LOGRZHODIRPLDD-OXJNMPFZSA-N 1 0 340.423 3.469 20 5 EGBDRO CC(C)CC(=O)N1CCC([NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173236120 1384942120 /nfs/dbraw/zinc/94/21/20/1384942120.db2.gz XBBBQWSFGHJBLN-OAHLLOKOSA-N 1 0 347.459 3.153 20 5 EGBDRO CCOC(=O)C[C@@H]1CC[N@@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC001173237034 1384942310 /nfs/dbraw/zinc/94/23/10/1384942310.db2.gz GWHXNTJJWIPHSQ-UXLLHSPISA-N 1 0 348.443 3.437 20 5 EGBDRO CCOC(=O)[C@H]1CC[C@@H]([NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173236171 1384942362 /nfs/dbraw/zinc/94/23/62/1384942362.db2.gz YNIYZBBLDQIDJS-BMFZPTHFSA-N 1 0 334.416 3.237 20 5 EGBDRO CC(C)C(=O)N(C)C1CC[NH+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173238370 1384942698 /nfs/dbraw/zinc/94/26/98/1384942698.db2.gz QPOQLJXPWDHAAN-HNNXBMFYSA-N 1 0 347.459 3.105 20 5 EGBDRO C[NH+]1CCN(c2ccc(Nc3cc([N+](=O)[O-])ccc3F)cc2)CC1 ZINC001175735004 1385389346 /nfs/dbraw/zinc/38/93/46/1385389346.db2.gz GGQGRBJJXILPEB-UHFFFAOYSA-N 1 0 330.363 3.229 20 5 EGBDRO COc1ccc(Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1[N+](=O)[O-] ZINC001176363328 1385565075 /nfs/dbraw/zinc/56/50/75/1385565075.db2.gz MELRKDJIGOJWOP-UHFFFAOYSA-N 1 0 342.399 3.099 20 5 EGBDRO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC001318399011 1385671382 /nfs/dbraw/zinc/67/13/82/1385671382.db2.gz WMUZAWJCCRKNES-ZIAGYGMSSA-N 1 0 347.440 3.412 20 5 EGBDRO CC(C)(F)C(=O)NCCCCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001177742868 1386031590 /nfs/dbraw/zinc/03/15/90/1386031590.db2.gz MPTBOGQCTPRTJW-UHFFFAOYSA-N 1 0 339.411 3.109 20 5 EGBDRO O=C(CC1CC1)NCCCCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001177743293 1386032121 /nfs/dbraw/zinc/03/21/21/1386032121.db2.gz TWSRKNUFOABEBP-UHFFFAOYSA-N 1 0 333.432 3.161 20 5 EGBDRO CCCC(=O)NCCCCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001177754559 1386035115 /nfs/dbraw/zinc/03/51/15/1386035115.db2.gz PTTUURPLWUXAJX-UHFFFAOYSA-N 1 0 327.450 3.223 20 5 EGBDRO CC(C)=CC(=O)NCCCCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001177825046 1386058346 /nfs/dbraw/zinc/05/83/46/1386058346.db2.gz YLHIZQTWOONXFW-UHFFFAOYSA-N 1 0 333.432 3.327 20 5 EGBDRO CS[C@@H]1CC[C@@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001321687820 1386956818 /nfs/dbraw/zinc/95/68/18/1386956818.db2.gz DTNDFVALPHLRQU-DGCLKSJQSA-N 1 0 325.390 3.219 20 5 EGBDRO COC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC001321867247 1387000106 /nfs/dbraw/zinc/00/01/06/1387000106.db2.gz KFXBVIRNXMRJJH-JKSUJKDBSA-N 1 0 344.367 3.286 20 5 EGBDRO Cc1cncc([N+](=O)[O-])c1N1CCC(CCC[NH+]2CCCC2)CC1 ZINC001322740954 1387233151 /nfs/dbraw/zinc/23/31/51/1387233151.db2.gz WGHRTFRAHQGPIK-UHFFFAOYSA-N 1 0 332.448 3.391 20 5 EGBDRO O=C(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)Nc1cccc(Cl)c1 ZINC001336714792 1389143655 /nfs/dbraw/zinc/14/36/55/1389143655.db2.gz ZHGUXSLFVOFGPA-UHFFFAOYSA-N 1 0 333.775 3.367 20 5 EGBDRO C[C@@H]1CCCN(c2ncnc3c(Cl)cc([N+](=O)[O-])cc32)[C@H]1CC[NH3+] ZINC001329734562 1389213144 /nfs/dbraw/zinc/21/31/44/1389213144.db2.gz NOLVIDZGEKKDKJ-YGRLFVJLSA-N 1 0 349.822 3.145 20 5 EGBDRO C[NH+]1CCC(CCNc2ncnc3c(Cl)cc([N+](=O)[O-])cc23)CC1 ZINC001329976898 1389277979 /nfs/dbraw/zinc/27/79/79/1389277979.db2.gz QLRFQVANTRXFOS-UHFFFAOYSA-N 1 0 349.822 3.335 20 5 EGBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1ccc3c[nH+]cn3c1C)CC2 ZINC001337636659 1389405431 /nfs/dbraw/zinc/40/54/31/1389405431.db2.gz QTFIMXJPRXKWLE-UHFFFAOYSA-N 1 0 336.351 3.062 20 5 EGBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)C[C@@H]1C ZINC001337680938 1389416454 /nfs/dbraw/zinc/41/64/54/1389416454.db2.gz YGZBONDGLBCMKB-AAEUAGOBSA-N 1 0 338.383 3.070 20 5 EGBDRO CCCC1CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC001340810203 1390373985 /nfs/dbraw/zinc/37/39/85/1390373985.db2.gz YYBZHXKHECSESW-UHFFFAOYSA-N 1 0 349.431 3.444 20 5 EGBDRO CN(CC1CC[NH2+]CC1)C(=O)c1cc2ccccc2c2cccnc12 ZINC001342784908 1390654159 /nfs/dbraw/zinc/65/41/59/1390654159.db2.gz YBLHDRXCDUVDAG-UHFFFAOYSA-N 1 0 333.435 3.460 20 5 EGBDRO CCC[N@H+](CCNC(=O)c1cccs1)Cc1ccc([N+](=O)[O-])cc1 ZINC001753141988 1440321637 /nfs/dbraw/zinc/32/16/37/1440321637.db2.gz KZKAAAUZEHJDLN-UHFFFAOYSA-N 1 0 347.440 3.298 20 5 EGBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000351508910 719253184 /nfs/dbraw/zinc/25/31/84/719253184.db2.gz JIZDXYCYPBDLOS-UONOGXRCSA-N 1 0 326.400 3.186 20 5 EGBDRO CC(C)C[NH+]1CCN(c2nc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC001164653951 719333016 /nfs/dbraw/zinc/33/30/16/719333016.db2.gz IWVUXFYYFFUCCA-UHFFFAOYSA-N 1 0 333.219 3.075 20 5 EGBDRO Cc1cccc(C[C@H](CO)[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC000786166072 1126110089 /nfs/dbraw/zinc/11/00/89/1126110089.db2.gz UBFSLTGGFSPPLT-MRXNPFEDSA-N 1 0 334.803 3.250 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC([C@@H]2CCOC2)CC1 ZINC000368283896 168337578 /nfs/dbraw/zinc/33/75/78/168337578.db2.gz KFBRDMFOUDKZAO-OAHLLOKOSA-N 1 0 334.416 3.242 20 5 EGBDRO O=[N+]([O-])c1cccnc1NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000052467198 214129734 /nfs/dbraw/zinc/12/97/34/214129734.db2.gz NWWUTYDULRKWOZ-UHFFFAOYSA-N 1 0 330.363 3.205 20 5 EGBDRO CCc1ccc(C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000174335767 529599971 /nfs/dbraw/zinc/59/99/71/529599971.db2.gz WLWABGNJNGAUPO-OAHLLOKOSA-N 1 0 345.443 3.105 20 5 EGBDRO C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000068947972 215347947 /nfs/dbraw/zinc/34/79/47/215347947.db2.gz WSDAFDRKIIUDPW-CXAGYDPISA-N 1 0 325.368 3.051 20 5 EGBDRO Cc1cccc(CNC(=O)C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000181832572 234343794 /nfs/dbraw/zinc/34/37/94/234343794.db2.gz OGMLUEICQKMXRP-OAHLLOKOSA-N 1 0 341.411 3.179 20 5 EGBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000072086682 216006435 /nfs/dbraw/zinc/00/64/35/216006435.db2.gz UOQZJXFEBBJOSK-INIZCTEOSA-N 1 0 339.395 3.446 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]CC2CCC3(CC2)OCCO3)cc1[N+](=O)[O-] ZINC000190326717 238393834 /nfs/dbraw/zinc/39/38/34/238393834.db2.gz YVTAYXQYNNXNBZ-AWEZNQCLSA-N 1 0 334.416 3.487 20 5 EGBDRO Cc1c(NC(=O)CC[N@@H+]2CCC[C@H]3CCC[C@@H]32)cccc1[N+](=O)[O-] ZINC000072693543 216294637 /nfs/dbraw/zinc/29/46/37/216294637.db2.gz SJVAUPAOSFDVNK-PBHICJAKSA-N 1 0 331.416 3.496 20 5 EGBDRO Nc1ccc([N+](=O)[O-])c(NC[C@H](c2cccs2)[NH+]2CCCC2)c1 ZINC000193375322 240135544 /nfs/dbraw/zinc/13/55/44/240135544.db2.gz DGMNDUMMJFXQAQ-OAHLLOKOSA-N 1 0 332.429 3.488 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000369420454 242005740 /nfs/dbraw/zinc/00/57/40/242005740.db2.gz UUIZNUZRIXHAEP-HUUCEWRRSA-N 1 0 334.416 3.242 20 5 EGBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(NC(N)=O)cc1 ZINC000123009907 296150657 /nfs/dbraw/zinc/15/06/57/296150657.db2.gz SAIMTKAIMAITFH-NEPJUHHUSA-N 1 0 328.372 3.497 20 5 EGBDRO CC(C)C[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000112113795 220246222 /nfs/dbraw/zinc/24/62/22/220246222.db2.gz WODHYGGEYOPSAY-UHFFFAOYSA-N 1 0 339.823 3.098 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000264171053 246135211 /nfs/dbraw/zinc/13/52/11/246135211.db2.gz HWMWDLNMQGXXCV-CQSZACIVSA-N 1 0 334.416 3.383 20 5 EGBDRO CC(C)C(=O)NC[C@H]1CCC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000266514791 248340479 /nfs/dbraw/zinc/34/04/79/248340479.db2.gz GDFALPNERSHIGN-HUUCEWRRSA-N 1 0 333.432 3.140 20 5 EGBDRO COc1ccc(C[N@@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000378401834 169115048 /nfs/dbraw/zinc/11/50/48/169115048.db2.gz LDZNQGBJBHABIU-ZBFHGGJFSA-N 1 0 334.416 3.242 20 5 EGBDRO CC(C)C(=O)NCC[N@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000092104037 218121344 /nfs/dbraw/zinc/12/13/44/218121344.db2.gz YZMGSLKZCUXOEF-UHFFFAOYSA-N 1 0 345.399 3.059 20 5 EGBDRO CCCCN(C)C(=O)C1CC[NH+](Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000092145614 218123784 /nfs/dbraw/zinc/12/37/84/218123784.db2.gz XZWUYUPTHPVDFB-UHFFFAOYSA-N 1 0 347.459 3.374 20 5 EGBDRO COc1cc(C[N@@H+]2CCCC[C@@H](SC)C2)c([N+](=O)[O-])cc1OC ZINC000092064122 218112807 /nfs/dbraw/zinc/11/28/07/218112807.db2.gz YJHORELNXQABBP-CYBMUJFWSA-N 1 0 340.445 3.330 20 5 EGBDRO CNC(=O)c1cccc(CC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000095423013 218364984 /nfs/dbraw/zinc/36/49/84/218364984.db2.gz VUSZDHXBTQCSJQ-CQSZACIVSA-N 1 0 341.411 3.156 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCCOC[C@H]1CCCO1)C1CC1 ZINC000268740248 252189598 /nfs/dbraw/zinc/18/95/98/252189598.db2.gz PQFJSUCXDVAKFN-MSOLQXFVSA-N 1 0 348.443 3.091 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000161885516 285092680 /nfs/dbraw/zinc/09/26/80/285092680.db2.gz VXEKDWSLHXMFFT-RISCZKNCSA-N 1 0 336.823 3.096 20 5 EGBDRO CC(C)[C@H]1CCCC[N@@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000117347290 221054925 /nfs/dbraw/zinc/05/49/25/221054925.db2.gz GYNQSWLZBQBVPF-OAHLLOKOSA-N 1 0 347.415 3.403 20 5 EGBDRO C[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])[C@H](C)c1ccccc1 ZINC000178205953 533349811 /nfs/dbraw/zinc/34/98/11/533349811.db2.gz UKGKIKNEBJSRRH-UONOGXRCSA-N 1 0 327.384 3.315 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCCC[NH+]1CCCCCC1 ZINC000043149736 140824318 /nfs/dbraw/zinc/82/43/18/140824318.db2.gz IKWHFVVWHGDZAW-UHFFFAOYSA-N 1 0 334.420 3.291 20 5 EGBDRO COC1CCN(C(C)(C)C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000341255333 141144733 /nfs/dbraw/zinc/14/47/33/141144733.db2.gz FMTMVUBJWUKRQV-SOFGYWHQSA-N 1 0 347.459 3.087 20 5 EGBDRO CCC1(C)CC[NH+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000344467183 141158316 /nfs/dbraw/zinc/15/83/16/141158316.db2.gz SQOHYUNJABHYGW-MRXNPFEDSA-N 1 0 331.416 3.212 20 5 EGBDRO CC[N@@H+]1C[C@H](C)N(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]1C ZINC000346189489 141176534 /nfs/dbraw/zinc/17/65/34/141176534.db2.gz JOGHFURJQLIIQK-KGLIPLIRSA-N 1 0 344.415 3.164 20 5 EGBDRO CC[C@@H]1CCC[C@@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000348146848 141238184 /nfs/dbraw/zinc/23/81/84/141238184.db2.gz FWHTWHCUTNNXMX-OCCSQVGLSA-N 1 0 335.404 3.100 20 5 EGBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000350485743 141249083 /nfs/dbraw/zinc/24/90/83/141249083.db2.gz ZJSQUUKVRZLPMN-GOEBONIOSA-N 1 0 339.395 3.160 20 5 EGBDRO CC[C@H](C)[NH2+][C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000353348551 141292747 /nfs/dbraw/zinc/29/27/47/141292747.db2.gz HPCBQDZCBUFPHX-SWLSCSKDSA-N 1 0 346.387 3.439 20 5 EGBDRO O=[N+]([O-])c1ccn(CC[NH2+]C2(c3cccc(C(F)(F)F)c3)CC2)n1 ZINC000357925654 141359121 /nfs/dbraw/zinc/35/91/21/141359121.db2.gz GWRMJBWISLMHJG-UHFFFAOYSA-N 1 0 340.305 3.089 20 5 EGBDRO C[C@H](C[NH+]1CCCCCC1)NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000185437811 144112521 /nfs/dbraw/zinc/11/25/21/144112521.db2.gz BQVDDBMJBOKZJK-CYBMUJFWSA-N 1 0 344.415 3.070 20 5 EGBDRO C[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)[C@H](c1ccccc1)[NH+](C)C ZINC000185941795 144122437 /nfs/dbraw/zinc/12/24/37/144122437.db2.gz WDKXURKCUGKSDV-CXAGYDPISA-N 1 0 342.399 3.408 20 5 EGBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000343187730 144191055 /nfs/dbraw/zinc/19/10/55/144191055.db2.gz MAWWCWUOZAOBPZ-HUUCEWRRSA-N 1 0 333.432 3.083 20 5 EGBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000351617823 144288397 /nfs/dbraw/zinc/28/83/97/144288397.db2.gz CTZPTHSRQBHHMA-LBPRGKRZSA-N 1 0 338.383 3.120 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](CC1CC1)C1CCC1 ZINC000361572111 144330363 /nfs/dbraw/zinc/33/03/63/144330363.db2.gz QCARFHNXQAZJJL-UHFFFAOYSA-N 1 0 347.415 3.197 20 5 EGBDRO CCOc1ccc(NC(=O)C[N@H+](CC2CC2)C2CCC2)c([N+](=O)[O-])c1 ZINC000361587168 144332857 /nfs/dbraw/zinc/33/28/57/144332857.db2.gz VFEZWHDWCKQZPX-UHFFFAOYSA-N 1 0 347.415 3.197 20 5 EGBDRO COc1ccc(C[N@H+](CCn2cc([N+](=O)[O-])cn2)[C@H](C)C2CC2)cc1 ZINC000350725074 286303457 /nfs/dbraw/zinc/30/34/57/286303457.db2.gz SBELCOAOVGEVGL-CQSZACIVSA-N 1 0 344.415 3.101 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CCSc3ccccc3)C2)nc1 ZINC000118866086 152158775 /nfs/dbraw/zinc/15/87/75/152158775.db2.gz QQCJZKBWASLQLR-AWEZNQCLSA-N 1 0 344.440 3.268 20 5 EGBDRO Cc1cc(C(=O)NCCCC[NH+]2CCC(C)CC2)cc([N+](=O)[O-])c1 ZINC000122482639 152408624 /nfs/dbraw/zinc/40/86/24/152408624.db2.gz HOACHVAODNWUGY-UHFFFAOYSA-N 1 0 333.432 3.145 20 5 EGBDRO Cc1cc(N[C@@H](C)[C@@H]2CCC[NH2+]C2)c(Br)cc1[N+](=O)[O-] ZINC000235532071 153450288 /nfs/dbraw/zinc/45/02/88/153450288.db2.gz NXRGVSKJWRPISC-WDEREUQCSA-N 1 0 342.237 3.466 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)n1 ZINC000268849242 292286529 /nfs/dbraw/zinc/28/65/29/292286529.db2.gz XTSOYUFSJMUGGV-HZPDHXFCSA-N 1 0 332.448 3.389 20 5 EGBDRO CCC1(CO)CC[NH+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000305715935 154107387 /nfs/dbraw/zinc/10/73/87/154107387.db2.gz GZVRITINIAUXDL-UHFFFAOYSA-N 1 0 345.399 3.234 20 5 EGBDRO O=C(c1ccc2c[nH+]cn2c1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000339936340 155039655 /nfs/dbraw/zinc/03/96/55/155039655.db2.gz BFPFWHLYYWOLNL-UHFFFAOYSA-N 1 0 336.351 3.047 20 5 EGBDRO Cc1ccc(NCc2ccncc2OCCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000341041622 155127746 /nfs/dbraw/zinc/12/77/46/155127746.db2.gz GZLRTPIRQOCZOE-UHFFFAOYSA-N 1 0 344.415 3.241 20 5 EGBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000362081280 157012909 /nfs/dbraw/zinc/01/29/09/157012909.db2.gz VWFSTQACBLLPED-STQMWFEESA-N 1 0 349.456 3.063 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC2(CCOCC2)[C@H]1C ZINC000368813768 157296374 /nfs/dbraw/zinc/29/63/74/157296374.db2.gz KKWMWSXWFDVUNU-CQSZACIVSA-N 1 0 334.416 3.385 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(N2CCC[C@H]([NH+]3[C@@H](C)CC[C@@H]3C)C2)c1 ZINC000338650571 163305271 /nfs/dbraw/zinc/30/52/71/163305271.db2.gz NSNGSHCFHAEVEH-KKUMJFAQSA-N 1 0 333.432 3.445 20 5 EGBDRO COC[C@H](C)C[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000338710467 163326927 /nfs/dbraw/zinc/32/69/27/163326927.db2.gz IAOOSCHOWROUON-GFCCVEGCSA-N 1 0 334.372 3.236 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]Cc1ccnc(N2CCCC2)c1 ZINC000338714629 163328906 /nfs/dbraw/zinc/32/89/06/163328906.db2.gz UKOQSFWYQYKICS-ALCCZGGFSA-N 1 0 338.411 3.393 20 5 EGBDRO COc1cccc(N(C)CCC[N@H+](C)Cc2ccco2)c1[N+](=O)[O-] ZINC000343805692 164039234 /nfs/dbraw/zinc/03/92/34/164039234.db2.gz IVMWYNGPPXBAEP-UHFFFAOYSA-N 1 0 333.388 3.155 20 5 EGBDRO COc1cc(C[NH2+]C[C@H](SC)C(C)(C)C)c([N+](=O)[O-])cc1OC ZINC000344337107 164160117 /nfs/dbraw/zinc/16/01/17/164160117.db2.gz TXECQWZFCCMTBE-HNNXBMFYSA-N 1 0 342.461 3.479 20 5 EGBDRO CC(=O)c1cc([N+](=O)[O-])ccc1OCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000344445204 164179942 /nfs/dbraw/zinc/17/99/42/164179942.db2.gz HWDYHEPGNPILFA-UHFFFAOYSA-N 1 0 346.358 3.447 20 5 EGBDRO CCc1ccc(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000349544327 164893867 /nfs/dbraw/zinc/89/38/67/164893867.db2.gz ILHOXUVAXHRNES-MRXNPFEDSA-N 1 0 347.440 3.251 20 5 EGBDRO CC(C)(CNc1ccc([N+](=O)[O-])nc1)[N@@H+]1CCc2ccccc2C1 ZINC000355162887 166121067 /nfs/dbraw/zinc/12/10/67/166121067.db2.gz LBYJUGRQRPDATI-UHFFFAOYSA-N 1 0 326.400 3.239 20 5 EGBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000359450850 167159914 /nfs/dbraw/zinc/15/99/14/167159914.db2.gz UXLNYVBGONTJQC-HNNXBMFYSA-N 1 0 337.468 3.288 20 5 EGBDRO O=C(c1ccc([N+](=O)[O-])o1)N(CC[NH+]1CCCCCC1)C1CCC1 ZINC000359784558 167230590 /nfs/dbraw/zinc/23/05/90/167230590.db2.gz BZHYKLNKRRGEEQ-UHFFFAOYSA-N 1 0 335.404 3.059 20 5 EGBDRO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)[C@H](C)C1 ZINC000360328946 167302628 /nfs/dbraw/zinc/30/26/28/167302628.db2.gz IKTULMRUYOFXBN-UTJXIGIESA-N 1 0 331.416 3.114 20 5 EGBDRO CCn1c(C)nc([N+](=O)[O-])c1NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000360949739 167458005 /nfs/dbraw/zinc/45/80/05/167458005.db2.gz QIORHFQRJZIYBI-KBPBESRZSA-N 1 0 337.468 3.290 20 5 EGBDRO O=[N+]([O-])c1ccn(CC[N@H+]2CC=C(c3ccc(Cl)cc3)CC2)n1 ZINC000365941269 168062754 /nfs/dbraw/zinc/06/27/54/168062754.db2.gz JDPPGRWHFAIHHN-UHFFFAOYSA-N 1 0 332.791 3.234 20 5 EGBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc([S@@](C)=O)cc1 ZINC000123252739 222244442 /nfs/dbraw/zinc/24/44/42/222244442.db2.gz PACOIGLTKKXFFL-ZLOXQWCVSA-N 1 0 332.425 3.226 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000174191921 265031432 /nfs/dbraw/zinc/03/14/32/265031432.db2.gz WOJYFTSEEFIALK-OAHLLOKOSA-N 1 0 346.431 3.289 20 5 EGBDRO C[C@@H](NC(=O)N(CC[NH+](C)C)C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000176830347 265208651 /nfs/dbraw/zinc/20/86/51/265208651.db2.gz XIVWDJHLFYMQPI-CQSZACIVSA-N 1 0 348.447 3.172 20 5 EGBDRO Cc1ccccc1C[C@H](CO)[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000191562418 265914409 /nfs/dbraw/zinc/91/44/09/265914409.db2.gz KWEGYZOBMNMVRG-VQIMIIECSA-N 1 0 342.439 3.418 20 5 EGBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000192543243 265975995 /nfs/dbraw/zinc/97/59/95/265975995.db2.gz LIGXVPFVXZIHQU-QWHCGFSZSA-N 1 0 348.424 3.410 20 5 EGBDRO C[NH2+]Cc1ccccc1NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000237181890 266226673 /nfs/dbraw/zinc/22/66/73/266226673.db2.gz BIHBHJFDWWPJKD-UHFFFAOYSA-N 1 0 340.383 3.141 20 5 EGBDRO C[C@@H]1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@H](c2ccsc2)O1 ZINC000269649113 266334562 /nfs/dbraw/zinc/33/45/62/266334562.db2.gz LRLJOHVRWVQKMI-CSMYWGQOSA-N 1 0 348.424 3.152 20 5 EGBDRO O=[N+]([O-])c1cc(F)c(NC2CC[NH+](Cc3ccccn3)CC2)c(F)c1 ZINC000269647530 266334601 /nfs/dbraw/zinc/33/46/01/266334601.db2.gz PPDFDJUBAVHKQT-UHFFFAOYSA-N 1 0 348.353 3.345 20 5 EGBDRO C[C@](O)(C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000271523339 266680063 /nfs/dbraw/zinc/68/00/63/266680063.db2.gz OSXBIQZWITWZSL-ZLDLUXBVSA-N 1 0 346.349 3.209 20 5 EGBDRO O=[N+]([O-])c1ccccc1NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000273291920 267014202 /nfs/dbraw/zinc/01/42/02/267014202.db2.gz ZKTIEUGSQLCPNK-QGZVFWFLSA-N 1 0 341.411 3.164 20 5 EGBDRO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)[C@]12CCCO2 ZINC000274245810 267205865 /nfs/dbraw/zinc/20/58/65/267205865.db2.gz RMLPXHMUMHKNRG-BVPBIZIASA-N 1 0 334.416 3.280 20 5 EGBDRO COc1cc(C[N@@H+]2CCCC3(CCOCC3)C2)c([N+](=O)[O-])cc1F ZINC000274285854 267212377 /nfs/dbraw/zinc/21/23/77/267212377.db2.gz FCGARQNNKPGDFY-UHFFFAOYSA-N 1 0 338.379 3.135 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]CCc2cn3c(n2)SCC3)cc1[N+](=O)[O-] ZINC000274334460 267219071 /nfs/dbraw/zinc/21/90/71/267219071.db2.gz BRLPCYCXVKPJCR-LBPRGKRZSA-N 1 0 332.429 3.099 20 5 EGBDRO Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c(OCC[NH+](C)C)c1 ZINC000151338172 274753638 /nfs/dbraw/zinc/75/36/38/274753638.db2.gz IJFFBUAAFSVLSO-UHFFFAOYSA-N 1 0 343.383 3.096 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[N@H+](C[C@@H]2CCCO2)[C@H]2CCSC2)cc1 ZINC000245861155 275035112 /nfs/dbraw/zinc/03/51/12/275035112.db2.gz KVFFBHHWCBSJAE-IRXDYDNUSA-N 1 0 336.457 3.124 20 5 EGBDRO CC(C)[N@@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000043596700 275129448 /nfs/dbraw/zinc/12/94/48/275129448.db2.gz USSKQOMVKSKCKH-NSHDSACASA-N 1 0 342.237 3.500 20 5 EGBDRO CCOC(=O)[C@@]1(C(C)C)CC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000194874811 275228816 /nfs/dbraw/zinc/22/88/16/275228816.db2.gz LBRRJUCYYQNPLJ-HNNXBMFYSA-N 1 0 326.418 3.068 20 5 EGBDRO CCOc1ccc([C@@H](C)[NH2+]CC2([C@@H](O)C(C)C)CC2)cc1[N+](=O)[O-] ZINC000271919222 275241567 /nfs/dbraw/zinc/24/15/67/275241567.db2.gz ZPMDWKONPVVXTQ-DYVFJYSZSA-N 1 0 336.432 3.441 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000278680398 275265098 /nfs/dbraw/zinc/26/50/98/275265098.db2.gz OSRSKPXSDDBSRH-HZPDHXFCSA-N 1 0 347.459 3.149 20 5 EGBDRO CC(C)(C)[C@@H]1C[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CS1 ZINC000278714622 275268134 /nfs/dbraw/zinc/26/81/34/275268134.db2.gz OZUUYFMTYIMELX-HZMBPMFUSA-N 1 0 334.445 3.481 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H]1C[NH+]1CCCC1 ZINC000343092848 275663382 /nfs/dbraw/zinc/66/33/82/275663382.db2.gz QXGUAHUPEKRRNL-GOSISDBHSA-N 1 0 347.459 3.442 20 5 EGBDRO CCOc1cc(CN2C[C@H]([NH+]3CCCC3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000285496201 275882345 /nfs/dbraw/zinc/88/23/45/275882345.db2.gz JBCYUEDEZZWMCA-GDBMZVCRSA-N 1 0 333.432 3.052 20 5 EGBDRO CC(C)c1ccc(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000285762814 275909612 /nfs/dbraw/zinc/90/96/12/275909612.db2.gz KOVNJNLNNXLLPP-GDBMZVCRSA-N 1 0 345.443 3.417 20 5 EGBDRO CCC(=O)c1ccc(N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000286262754 275972153 /nfs/dbraw/zinc/97/21/53/275972153.db2.gz GUCGGSAOXIFKFH-DZGCQCFKSA-N 1 0 331.416 3.251 20 5 EGBDRO CC[NH+](CC)C[C@@H](C)NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000339101252 276103303 /nfs/dbraw/zinc/10/33/03/276103303.db2.gz KBBLEMZXFKOOJD-SNVBAGLBSA-N 1 0 328.800 3.100 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000287774599 276155896 /nfs/dbraw/zinc/15/58/96/276155896.db2.gz YJAQGJRZEYISKE-HOCLYGCPSA-N 1 0 346.431 3.302 20 5 EGBDRO CCCn1nc(C)c(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])c1C ZINC000289377815 276330111 /nfs/dbraw/zinc/33/01/11/276330111.db2.gz MDPWMQOMHBCVRB-UHFFFAOYSA-N 1 0 330.432 3.493 20 5 EGBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000289629527 276368935 /nfs/dbraw/zinc/36/89/35/276368935.db2.gz RVNXRULYNSZVCG-SJORKVTESA-N 1 0 332.400 3.007 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@H](CO)C3CCCC3)cs2)c1 ZINC000289746609 276387413 /nfs/dbraw/zinc/38/74/13/276387413.db2.gz WEVLBKIWWLARDI-MRXNPFEDSA-N 1 0 347.440 3.359 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+][C@H]2COc3ccccc3[C@H]2O)cc1[N+](=O)[O-] ZINC000290211339 276464485 /nfs/dbraw/zinc/46/44/85/276464485.db2.gz HHEGBGGCVXQLEG-XLWVJDPXSA-N 1 0 328.368 3.048 20 5 EGBDRO Cc1c([C@H](C)[NH2+][C@@H]2COc3ccccc3[C@H]2O)cccc1[N+](=O)[O-] ZINC000290531529 276507967 /nfs/dbraw/zinc/50/79/67/276507967.db2.gz ZKLUIWONDVMILQ-WBHUJUFNSA-N 1 0 328.368 3.048 20 5 EGBDRO COC1(CC[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CCC1 ZINC000292735760 276865486 /nfs/dbraw/zinc/86/54/86/276865486.db2.gz GYCVDINBYQKVNX-UHFFFAOYSA-N 1 0 334.416 3.397 20 5 EGBDRO CC(=O)c1ccc(N2CCC[C@H]2C[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000160459351 278247133 /nfs/dbraw/zinc/24/71/33/278247133.db2.gz SUFWTHZTZAJXHF-INIZCTEOSA-N 1 0 331.416 3.252 20 5 EGBDRO CC(C)(C)c1ccc(C(=O)N2CCC3(C2)CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000374506414 278559122 /nfs/dbraw/zinc/55/91/22/278559122.db2.gz NRUFVSRROGKFHM-UHFFFAOYSA-N 1 0 345.443 3.108 20 5 EGBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)C[NH+](CC)CC ZINC000343323425 280063157 /nfs/dbraw/zinc/06/31/57/280063157.db2.gz TUBRJVMUPOEDHW-GFCCVEGCSA-N 1 0 339.461 3.167 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(N2CCCC2=O)CC1 ZINC000182747972 281019411 /nfs/dbraw/zinc/01/94/11/281019411.db2.gz JBNAOEWISJAYEK-CQSZACIVSA-N 1 0 331.416 3.051 20 5 EGBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000195334623 281668624 /nfs/dbraw/zinc/66/86/24/281668624.db2.gz ONETWKLLABFQDS-ZDUSSCGKSA-N 1 0 349.460 3.430 20 5 EGBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2c2ccc([N+](=O)[O-])c3cnccc32)C1 ZINC000269083543 290181807 /nfs/dbraw/zinc/18/18/07/290181807.db2.gz GHSXKWNXUVFXLV-CZUORRHYSA-N 1 0 326.400 3.064 20 5 EGBDRO Nc1ccc([N+](=O)[O-])c(NC[C@@H](c2ccco2)[NH+]2CCCCC2)c1 ZINC000192763964 295357127 /nfs/dbraw/zinc/35/71/27/295357127.db2.gz WRINGEVBSKJINT-INIZCTEOSA-N 1 0 330.388 3.409 20 5 EGBDRO C[N@H+](CCc1ccccc1)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000053048597 307334456 /nfs/dbraw/zinc/33/44/56/307334456.db2.gz ZAOZYOLJOJBNJF-UHFFFAOYSA-N 1 0 338.367 3.319 20 5 EGBDRO CC[N@H+](CCc1ccccc1)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000072578149 307380273 /nfs/dbraw/zinc/38/02/73/307380273.db2.gz WFYOPOLOSKSVSR-UHFFFAOYSA-N 1 0 341.411 3.406 20 5 EGBDRO CO[C@H]1c2ccccc2C[C@H]1[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000414222117 309067330 /nfs/dbraw/zinc/06/73/30/309067330.db2.gz LYYDVOVIGUSFOZ-XVSDVWIESA-N 1 0 326.396 3.428 20 5 EGBDRO C[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])C(C)(C)c1ccccc1 ZINC000155102126 307807517 /nfs/dbraw/zinc/80/75/17/307807517.db2.gz VCGIHIRJEVSSNS-AWEZNQCLSA-N 1 0 341.411 3.489 20 5 EGBDRO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000414242476 309068414 /nfs/dbraw/zinc/06/84/14/309068414.db2.gz HZANIJRODSKNLW-DHSIGJKJSA-N 1 0 344.415 3.240 20 5 EGBDRO CC(C)(C)OC(=O)CC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000163550070 307923419 /nfs/dbraw/zinc/92/34/19/307923419.db2.gz LCFVIZKBWASSRO-HNNXBMFYSA-N 1 0 334.416 3.237 20 5 EGBDRO C[C@H]1CCC[C@]1(O)C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000293000001 308088921 /nfs/dbraw/zinc/08/89/21/308088921.db2.gz MZOMBFYEFNDDBT-SJCJKPOMSA-N 1 0 347.440 3.359 20 5 EGBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[NH2+][C@@H](CO)C2CCCC2)c1 ZINC000293469950 308133366 /nfs/dbraw/zinc/13/33/66/308133366.db2.gz DWMFRXQYMUXIEN-AWEZNQCLSA-N 1 0 332.322 3.254 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CCC[C@H](CO)CC2)o1 ZINC000293978440 308179639 /nfs/dbraw/zinc/17/96/39/308179639.db2.gz KSRZYYZBQSLLBT-AWEZNQCLSA-N 1 0 330.384 3.449 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CCC[C@@H](CO)CC2)o1 ZINC000293978445 308179655 /nfs/dbraw/zinc/17/96/55/308179655.db2.gz KSRZYYZBQSLLBT-CQSZACIVSA-N 1 0 330.384 3.449 20 5 EGBDRO COc1ccncc1C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000294095475 308189739 /nfs/dbraw/zinc/18/97/39/308189739.db2.gz JCGWSGRAAZLMDT-MRXNPFEDSA-N 1 0 327.384 3.109 20 5 EGBDRO C[NH2+]Cc1ccc(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)cc1 ZINC000295264568 308308866 /nfs/dbraw/zinc/30/88/66/308308866.db2.gz RNEQGVLPAIDKAF-UHFFFAOYSA-N 1 0 342.399 3.145 20 5 EGBDRO C[C@H](C[NH3+])N(C)Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000414657178 309093985 /nfs/dbraw/zinc/09/39/85/309093985.db2.gz JZBMEWQWTKGEMZ-GFCCVEGCSA-N 1 0 333.363 3.305 20 5 EGBDRO CCOC(=O)c1cc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])[nH]c1C ZINC000296093527 308392852 /nfs/dbraw/zinc/39/28/52/308392852.db2.gz RLCLTXALXRTINH-UHFFFAOYSA-N 1 0 345.399 3.433 20 5 EGBDRO C[C@H](NC(=O)NC1CC[NH+](C(C)(C)C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000296458564 308429496 /nfs/dbraw/zinc/42/94/96/308429496.db2.gz VKNPWTLGRQLIGO-ZDUSSCGKSA-N 1 0 348.447 3.218 20 5 EGBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NC2CC[NH+](C3CCC3)CC2)c1 ZINC000297160526 308505389 /nfs/dbraw/zinc/50/53/89/308505389.db2.gz MRUPJMIXUAOSIT-UHFFFAOYSA-N 1 0 349.456 3.063 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)Cc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000297438219 308533958 /nfs/dbraw/zinc/53/39/58/308533958.db2.gz VXJLBJMXMVHGIO-CXAGYDPISA-N 1 0 332.375 3.297 20 5 EGBDRO O=[N+]([O-])c1cc(CNC2CC[NH2+]CC2)ccc1Oc1ccc(F)cc1 ZINC000414793227 309101794 /nfs/dbraw/zinc/10/17/94/309101794.db2.gz UCWCUOFBTGOFGG-UHFFFAOYSA-N 1 0 345.374 3.368 20 5 EGBDRO CN(Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1(C[NH3+])CCC1 ZINC000414795412 309101894 /nfs/dbraw/zinc/10/18/94/309101894.db2.gz WNSWNPKNYQIVMF-UHFFFAOYSA-N 1 0 332.429 3.032 20 5 EGBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000299080027 308658950 /nfs/dbraw/zinc/65/89/50/308658950.db2.gz XZDGHOFVPURIJS-CHWSQXEVSA-N 1 0 339.461 3.144 20 5 EGBDRO COc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000299396263 308672847 /nfs/dbraw/zinc/67/28/47/308672847.db2.gz KWTGEEFDUVNPLO-CHWSQXEVSA-N 1 0 343.383 3.281 20 5 EGBDRO Cc1cc(NC[C@H](C2CC2)[NH+](C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301805332 308716068 /nfs/dbraw/zinc/71/60/68/308716068.db2.gz BLNOAPZCGJCYBC-MRXNPFEDSA-N 1 0 341.415 3.112 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1N1CCC[C@@H]([NH+]3CCCC3)CC1)CCN2 ZINC000302891966 308749823 /nfs/dbraw/zinc/74/98/23/308749823.db2.gz PWCBVLULZRCXSG-CQSZACIVSA-N 1 0 330.432 3.018 20 5 EGBDRO C[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCN1C(=O)OC(C)(C)C ZINC000305877514 308762432 /nfs/dbraw/zinc/76/24/32/308762432.db2.gz OPEZLIBABBMHQE-DZGCQCFKSA-N 1 0 349.431 3.472 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000332409411 308836729 /nfs/dbraw/zinc/83/67/29/308836729.db2.gz NANXMOULGGHNJJ-HUUCEWRRSA-N 1 0 346.431 3.065 20 5 EGBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC(C)(C)[NH+](C)C ZINC000357168966 308891518 /nfs/dbraw/zinc/89/15/18/308891518.db2.gz FYZSASSVRGAYTK-UHFFFAOYSA-N 1 0 339.461 3.167 20 5 EGBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(c2nccc3ccc([N+](=O)[O-])cc32)C[C@@H](C)C1 ZINC000413303623 309025846 /nfs/dbraw/zinc/02/58/46/309025846.db2.gz OEXPDRTVBGZEQY-SUNYJGFJSA-N 1 0 340.427 3.310 20 5 EGBDRO C[C@@H](C[NH3+])NCc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000414942221 309110362 /nfs/dbraw/zinc/11/03/62/309110362.db2.gz JTHBXKAAVXEYSA-NSHDSACASA-N 1 0 335.791 3.477 20 5 EGBDRO O=[N+]([O-])c1ccc(CN[C@@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000414955731 309111221 /nfs/dbraw/zinc/11/12/21/309111221.db2.gz UKZDOXVZWBTQNE-MAUKXSAKSA-N 1 0 347.365 3.108 20 5 EGBDRO COc1ccc(C[NH2+]Cc2ccc3c(c2)CCCN3)cc1[N+](=O)[O-] ZINC000414971735 309112288 /nfs/dbraw/zinc/11/22/88/309112288.db2.gz IYYXFSHGJHJODM-UHFFFAOYSA-N 1 0 327.384 3.251 20 5 EGBDRO CN(CC(C)(C)C[NH3+])C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000415432366 309133247 /nfs/dbraw/zinc/13/32/47/309133247.db2.gz FOIJZYSSCLZOAE-UHFFFAOYSA-N 1 0 348.325 3.062 20 5 EGBDRO C[NH2+]CCC1CCN(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000415479264 309134714 /nfs/dbraw/zinc/13/47/14/309134714.db2.gz FKGFKTSOFYHFIG-UHFFFAOYSA-N 1 0 334.420 3.065 20 5 EGBDRO CCCN(C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C)C1CC[NH2+]CC1 ZINC000415487390 309134839 /nfs/dbraw/zinc/13/48/39/309134839.db2.gz UDJKCKKDWOUCLU-UHFFFAOYSA-N 1 0 334.420 3.208 20 5 EGBDRO CC[C@H]([NH2+]CC(C)(C)C1(O)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000417351108 309202566 /nfs/dbraw/zinc/20/25/66/309202566.db2.gz BCCHJLCKQWFCRT-INIZCTEOSA-N 1 0 336.432 3.203 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+]CC(C)(C)C2(O)CCOCC2)cc1[N+](=O)[O-] ZINC000417390652 309204170 /nfs/dbraw/zinc/20/41/70/309204170.db2.gz YZURJDPBKFRZGK-CQSZACIVSA-N 1 0 336.432 3.122 20 5 EGBDRO CC[C@@H](NC(=O)NC[C@H]([NH3+])c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000417846332 309224873 /nfs/dbraw/zinc/22/48/73/309224873.db2.gz JEQCPAPSWQLXPN-DLBZAZTESA-N 1 0 342.399 3.045 20 5 EGBDRO CC(C)(NC(=O)N[C@@H](C[NH3+])C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000418368183 309244308 /nfs/dbraw/zinc/24/43/08/309244308.db2.gz RJVGKRTYMRPVGM-INIZCTEOSA-N 1 0 348.447 3.037 20 5 EGBDRO CCC([NH3+])(CC)CNC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000418433963 309246083 /nfs/dbraw/zinc/24/60/83/309246083.db2.gz DPLDUOVBKSWNRU-HNNXBMFYSA-N 1 0 348.447 3.001 20 5 EGBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000418720731 309254743 /nfs/dbraw/zinc/25/47/43/309254743.db2.gz LVJGHFUSRXIJIB-CVEARBPZSA-N 1 0 348.447 3.032 20 5 EGBDRO COC1(C(F)(F)F)CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000419338193 309264799 /nfs/dbraw/zinc/26/47/99/309264799.db2.gz WRGYDSTUNXWZRH-UHFFFAOYSA-N 1 0 348.321 3.017 20 5 EGBDRO O=C(CC[N@@H+]1CCSC[C@@H]1C1CCC1)Nc1ccccc1[N+](=O)[O-] ZINC000419375032 309265638 /nfs/dbraw/zinc/26/56/38/309265638.db2.gz PNVNOSJZYASBML-MRXNPFEDSA-N 1 0 349.456 3.141 20 5 EGBDRO Cc1cc(N2CC[C@]3(CC[NH2+]C3)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420228550 309277559 /nfs/dbraw/zinc/27/75/59/309277559.db2.gz LPVFEVCAGYJDLN-AWEZNQCLSA-N 1 0 329.322 3.112 20 5 EGBDRO Cc1cc(N2CCC[C@H](CCO)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000420647873 309291592 /nfs/dbraw/zinc/29/15/92/309291592.db2.gz YCUJWVYQGINRTO-AWEZNQCLSA-N 1 0 329.400 3.440 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCC[C@H](CCO)CC3)co2)cc1 ZINC000421008689 309306971 /nfs/dbraw/zinc/30/69/71/309306971.db2.gz DQYCFLAMDRAHMZ-AWEZNQCLSA-N 1 0 345.399 3.234 20 5 EGBDRO C[C@@H]1C[C@@H](CO)C[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000421363513 309320351 /nfs/dbraw/zinc/32/03/51/309320351.db2.gz PROIHXHNIVYBQR-ZIAGYGMSSA-N 1 0 330.384 3.305 20 5 EGBDRO CC[C@@H](C)C[NH2+]Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000421392628 309322474 /nfs/dbraw/zinc/32/24/74/309322474.db2.gz XVGQNMIFCKDFID-SNVBAGLBSA-N 1 0 332.347 3.383 20 5 EGBDRO CN(Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C[C@H]1CCC[N@@H+]1C ZINC000421414222 309323601 /nfs/dbraw/zinc/32/36/01/309323601.db2.gz YXIZVTSSFOKWTI-CQSZACIVSA-N 1 0 329.400 3.381 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000421476757 309326311 /nfs/dbraw/zinc/32/63/11/309326311.db2.gz RNCJVMRLJVVMGN-MRXNPFEDSA-N 1 0 335.448 3.308 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000421749809 309338274 /nfs/dbraw/zinc/33/82/74/309338274.db2.gz ISOIAZBEVAOTEM-UHFFFAOYSA-N 1 0 333.432 3.204 20 5 EGBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000422898324 309375085 /nfs/dbraw/zinc/37/50/85/309375085.db2.gz LWZJDCSTRJSQPL-AWEZNQCLSA-N 1 0 339.461 3.152 20 5 EGBDRO CCc1ccc([C@H](NC[C@@H](C)C[NH2+]C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000423281087 309393752 /nfs/dbraw/zinc/39/37/52/309393752.db2.gz VKLQJOPWTZRGRT-SCLBCKFNSA-N 1 0 331.416 3.285 20 5 EGBDRO CC(C)C1(C)CC[NH+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000426785930 309516427 /nfs/dbraw/zinc/51/64/27/309516427.db2.gz ZWOCTJQJUBFDSS-UHFFFAOYSA-N 1 0 333.432 3.316 20 5 EGBDRO CCC1(CC)[C@H]([NH2+]Cc2cc(OC)c(F)cc2[N+](=O)[O-])C[C@@H]1OC ZINC000429316805 309578210 /nfs/dbraw/zinc/57/82/10/309578210.db2.gz XBQIEINMBJCCSS-CVEARBPZSA-N 1 0 340.395 3.426 20 5 EGBDRO CCC1(CC)[C@@H]([NH2+]Cc2cc(OC)c(F)cc2[N+](=O)[O-])C[C@@H]1OC ZINC000429316806 309578348 /nfs/dbraw/zinc/57/83/48/309578348.db2.gz XBQIEINMBJCCSS-HOTGVXAUSA-N 1 0 340.395 3.426 20 5 EGBDRO CC(C)(CO)[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000429704468 309587835 /nfs/dbraw/zinc/58/78/35/309587835.db2.gz VWESXAFQKFJGBE-GOSISDBHSA-N 1 0 344.411 3.323 20 5 EGBDRO CC1(C)C[C@H]([NH2+]CCCN2CCCCC2=O)c2cc([N+](=O)[O-])ccc21 ZINC000433114965 309679260 /nfs/dbraw/zinc/67/92/60/309679260.db2.gz HIHWWGAHWRSDLV-KRWDZBQOSA-N 1 0 345.443 3.309 20 5 EGBDRO CCO[C@@H]1COCC[C@H]1[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433235127 309683083 /nfs/dbraw/zinc/68/30/83/309683083.db2.gz MJFKOLVRBWNQTB-BRWVUGGUSA-N 1 0 334.416 3.101 20 5 EGBDRO C[C@H](Nc1nc2sccn2c1[N+](=O)[O-])[C@H](c1ccccc1)[NH+](C)C ZINC000439122018 309826924 /nfs/dbraw/zinc/82/69/24/309826924.db2.gz WMNSSFLUWOBDFG-WCQYABFASA-N 1 0 345.428 3.407 20 5 EGBDRO CN(C)C1(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCCCC1 ZINC000447520370 309980552 /nfs/dbraw/zinc/98/05/52/309980552.db2.gz TUTWITSTQZQWKH-CVEARBPZSA-N 1 0 349.479 3.129 20 5 EGBDRO CCNC(=O)c1cccc(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000449088247 310036279 /nfs/dbraw/zinc/03/62/79/310036279.db2.gz YJXPKMJTLBGMJL-CQSZACIVSA-N 1 0 341.411 3.065 20 5 EGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1COc2ccc(F)cc2C1 ZINC000449329411 310053980 /nfs/dbraw/zinc/05/39/80/310053980.db2.gz OCYVBNRLBJKZHK-WBMJQRKESA-N 1 0 330.359 3.258 20 5 EGBDRO CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000449506547 310067627 /nfs/dbraw/zinc/06/76/27/310067627.db2.gz CQIFGIUGLBUQFG-FEPMCFLQSA-N 1 0 332.400 3.320 20 5 EGBDRO C[C@@H](Cc1cnn(C)c1)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000449582822 310073813 /nfs/dbraw/zinc/07/38/13/310073813.db2.gz HDOYCOAJGMJKTN-ZDUSSCGKSA-N 1 0 340.383 3.309 20 5 EGBDRO COC(=O)[C@@H]1C[N@H+](Cc2csc([N+](=O)[O-])c2)C[C@H]1c1ccccc1 ZINC000449754493 310084562 /nfs/dbraw/zinc/08/45/62/310084562.db2.gz LRODHCUQSBFQKU-LSDHHAIUSA-N 1 0 346.408 3.045 20 5 EGBDRO Cc1nc(Nc2ccc(CC[NH+]3CCCC3)cc2)ncc1[N+](=O)[O-] ZINC000450325000 310115605 /nfs/dbraw/zinc/11/56/05/310115605.db2.gz RSIZMFXGJOUZOL-UHFFFAOYSA-N 1 0 327.388 3.075 20 5 EGBDRO Cc1cc(N2CC[C@@H]3C[C@H](O)CC[C@H]3C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000450813654 310143839 /nfs/dbraw/zinc/14/38/39/310143839.db2.gz OYZSEAHIDVUDLP-IJEWVQPXSA-N 1 0 341.411 3.439 20 5 EGBDRO C[C@H]([NH2+]CC(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000451098202 310160426 /nfs/dbraw/zinc/16/04/26/310160426.db2.gz GXGASWIYYXZTPI-FHIRATQRSA-N 1 0 333.432 3.186 20 5 EGBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)NC1CCC(C)CC1 ZINC000451109749 310161155 /nfs/dbraw/zinc/16/11/55/310161155.db2.gz YYZUAQYTIDJIBA-IOSBVQAASA-N 1 0 333.432 3.329 20 5 EGBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2c(F)cc([N+](=O)[O-])cc2F)C12CCC2 ZINC000451477390 310180188 /nfs/dbraw/zinc/18/01/88/310180188.db2.gz HTOJVWHQZGSHBU-HUUCEWRRSA-N 1 0 326.343 3.310 20 5 EGBDRO CC[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451546426 310184833 /nfs/dbraw/zinc/18/48/33/310184833.db2.gz JGZGZMFHPOQFFH-SQWLQELKSA-N 1 0 333.432 3.077 20 5 EGBDRO CC(C)[C@@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)[C@@H](CO)C(C)C ZINC000451602367 310188807 /nfs/dbraw/zinc/18/88/07/310188807.db2.gz VJSMTOVYYUBMSB-XJKSGUPXSA-N 1 0 330.375 3.252 20 5 EGBDRO Cc1c(NC(=O)CC[N@@H+]2CCSC[C@H]2C2CC2)cccc1[N+](=O)[O-] ZINC000451654526 310191538 /nfs/dbraw/zinc/19/15/38/310191538.db2.gz OOZATGLUDLXFGH-INIZCTEOSA-N 1 0 349.456 3.059 20 5 EGBDRO C[C@@H]1CCC(C)(C)[N@@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000452017896 310207516 /nfs/dbraw/zinc/20/75/16/310207516.db2.gz XSBXBIUTGCQRCY-GFCCVEGCSA-N 1 0 333.388 3.156 20 5 EGBDRO CC[N@H+](C)[C@@H](C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000452183334 310217284 /nfs/dbraw/zinc/21/72/84/310217284.db2.gz OOBGGOBKHJWFSJ-KBXCAEBGSA-N 1 0 341.411 3.465 20 5 EGBDRO CC[C@@H]([NH2+]C[C@H](O)Cc1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000453244893 310266504 /nfs/dbraw/zinc/26/65/04/310266504.db2.gz KJFKRUWYXVAQDT-QZTJIDSGSA-N 1 0 332.375 3.378 20 5 EGBDRO CNC(=O)C[C@@H](C)[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000453376074 310273784 /nfs/dbraw/zinc/27/37/84/310273784.db2.gz PIMRFCIBSNDYOC-VXGBXAGGSA-N 1 0 347.440 3.499 20 5 EGBDRO CC1(C)C[C@H](C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCO1 ZINC000453404532 310275168 /nfs/dbraw/zinc/27/51/68/310275168.db2.gz DKBQPPGSZGKVRZ-ILXRZTDVSA-N 1 0 336.436 3.070 20 5 EGBDRO Cc1ccc(C[C@H](CO)[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])cc1C ZINC000453627696 310285431 /nfs/dbraw/zinc/28/54/31/310285431.db2.gz MKZVTJQGHUBEQE-WSSFADSRSA-N 1 0 340.423 3.418 20 5 EGBDRO CC(C)(C[NH+]1CCCC1)NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000454222160 310298007 /nfs/dbraw/zinc/29/80/07/310298007.db2.gz SYZGLVPYBHWZNJ-UHFFFAOYSA-N 1 0 340.811 3.244 20 5 EGBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000454989012 310339083 /nfs/dbraw/zinc/33/90/83/310339083.db2.gz XFRUZSAJFJTDGD-KGLIPLIRSA-N 1 0 336.436 3.075 20 5 EGBDRO CC[C@H](C)[NH+]1CCN(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000455151772 310347348 /nfs/dbraw/zinc/34/73/48/310347348.db2.gz ZPDBCWYRXPVSGE-AWEZNQCLSA-N 1 0 334.420 3.160 20 5 EGBDRO C[NH+](C)[C@H]1CCc2cc(NC(=O)Cc3cccc([N+](=O)[O-])c3)ccc21 ZINC000456282648 310396420 /nfs/dbraw/zinc/39/64/20/310396420.db2.gz SGKSBVNDHHIDAE-SFHVURJKSA-N 1 0 339.395 3.325 20 5 EGBDRO CSc1cccc(C(=O)NC2CC[NH+](C3CCC3)CC2)c1[N+](=O)[O-] ZINC000456687217 310417972 /nfs/dbraw/zinc/41/79/72/310417972.db2.gz WPSSBTHDHCJFHV-UHFFFAOYSA-N 1 0 349.456 3.063 20 5 EGBDRO Cc1cc(C[NH3+])cc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)c1 ZINC000457387379 310451006 /nfs/dbraw/zinc/45/10/06/310451006.db2.gz XTKIYZCYRGZVRV-UHFFFAOYSA-N 1 0 340.383 3.189 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C(C)C)C1(CO)CCCC1 ZINC000459526062 310558542 /nfs/dbraw/zinc/55/85/42/310558542.db2.gz HHMBFJISNMBRMP-QGZVFWFLSA-N 1 0 336.432 3.270 20 5 EGBDRO C[C@@H](CCCc1cccnc1)[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000459634370 310565443 /nfs/dbraw/zinc/56/54/43/310565443.db2.gz FTDBVZAQLCJGTM-HNNXBMFYSA-N 1 0 329.400 3.370 20 5 EGBDRO CCC[C@@H]([NH2+][C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)C1CCC1 ZINC000459786227 310575392 /nfs/dbraw/zinc/57/53/92/310575392.db2.gz DDEPWDGLVMSHGX-IUODEOHRSA-N 1 0 349.431 3.489 20 5 EGBDRO CCC[C@@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CCC1 ZINC000459809598 310576586 /nfs/dbraw/zinc/57/65/86/310576586.db2.gz SWMCVYAYDIADEY-MRXNPFEDSA-N 1 0 331.416 3.042 20 5 EGBDRO C[NH+](C)CCN(CC1CCCCC1)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000460959986 310587175 /nfs/dbraw/zinc/58/71/75/310587175.db2.gz FBXHIIGULOIICZ-UHFFFAOYSA-N 1 0 347.459 3.108 20 5 EGBDRO Cc1cc(N2CC[C@@H](C[NH+](C)C)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461937164 310593845 /nfs/dbraw/zinc/59/38/45/310593845.db2.gz PMQXHHRHOWWBRO-NSHDSACASA-N 1 0 331.338 3.310 20 5 EGBDRO CCO[C@@H]1C[C@H]([NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)[C@@]12CCCO2 ZINC000468616168 310691196 /nfs/dbraw/zinc/69/11/96/310691196.db2.gz BDPBDJXTCZMQSW-HWLJPZITSA-N 1 0 346.427 3.314 20 5 EGBDRO COC(=O)[C@@H]1CC12CC[NH+](C/C(C)=C/c1cccc([N+](=O)[O-])c1)CC2 ZINC000470177648 310719453 /nfs/dbraw/zinc/71/94/53/310719453.db2.gz SSNCRTWLWLLUQH-SHRNQRGKSA-N 1 0 344.411 3.273 20 5 EGBDRO C[C@@H]([NH2+]C[C@@](C)(CO)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000477861586 310850630 /nfs/dbraw/zinc/85/06/30/310850630.db2.gz NSBPYCSZZNPWBR-BEFAXECRSA-N 1 0 328.412 3.487 20 5 EGBDRO Cc1cc(N2C[C@@H](C3CC3)O[C@@H](C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000480381594 310893769 /nfs/dbraw/zinc/89/37/69/310893769.db2.gz GZVZBLVROJFKFQ-SGTLLEGYSA-N 1 0 327.384 3.455 20 5 EGBDRO Cc1ccccc1O[C@@H]1CCCC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000484634332 310967411 /nfs/dbraw/zinc/96/74/11/310967411.db2.gz GTLLVRVVIYEPAF-FUHWJXTLSA-N 1 0 344.415 3.080 20 5 EGBDRO COCC[N@H+](Cc1cc(OC)c(F)cc1[N+](=O)[O-])[C@H]1CCC[C@@H]1C ZINC000487951003 311044379 /nfs/dbraw/zinc/04/43/79/311044379.db2.gz BSHWAELUVTYRJB-WFASDCNBSA-N 1 0 340.395 3.380 20 5 EGBDRO CCCC[N@H+](C)CCNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000488862177 311082544 /nfs/dbraw/zinc/08/25/44/311082544.db2.gz NWDVRRODUWWWCL-UHFFFAOYSA-N 1 0 335.448 3.354 20 5 EGBDRO Cc1ccoc1C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000491402135 311177293 /nfs/dbraw/zinc/17/72/93/311177293.db2.gz RSCJYSWJFBANJG-UHFFFAOYSA-N 1 0 326.356 3.187 20 5 EGBDRO CC(C)c1nnc(CC[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])s1 ZINC000492005526 311207861 /nfs/dbraw/zinc/20/78/61/311207861.db2.gz YGFULUXMGOGRQO-ALCCZGGFSA-N 1 0 332.429 3.415 20 5 EGBDRO C[NH+](C)CCc1ccccc1NC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000492010540 311208430 /nfs/dbraw/zinc/20/84/30/311208430.db2.gz PBYNPWHWAJIYIW-QXMHVHEDSA-N 1 0 339.395 3.351 20 5 EGBDRO CCCC[C@@H]1CCC[C@@H]1[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000492846898 311298529 /nfs/dbraw/zinc/29/85/29/311298529.db2.gz KNNXMUPNCFIAQH-PBHICJAKSA-N 1 0 345.443 3.432 20 5 EGBDRO C[C@H]([NH2+][C@H](COC(N)=O)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000496099004 311661555 /nfs/dbraw/zinc/66/15/55/311661555.db2.gz LBSCFUQQXXREEQ-BBRMVZONSA-N 1 0 343.383 3.366 20 5 EGBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000502862423 311974650 /nfs/dbraw/zinc/97/46/50/311974650.db2.gz NDGMUAHYTXQAGX-HUUCEWRRSA-N 1 0 348.447 3.474 20 5 EGBDRO CCCN(CCC[NH+](C)C)C(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000505533852 312025453 /nfs/dbraw/zinc/02/54/53/312025453.db2.gz SNCKFPZBESEUBF-UHFFFAOYSA-N 1 0 335.448 3.063 20 5 EGBDRO COCC[N@H+](C)CC[C@@H](Nc1ccc([N+](=O)[O-])cn1)c1ccccc1 ZINC000505581080 312026842 /nfs/dbraw/zinc/02/68/42/312026842.db2.gz FEAWNTYGZSWTHC-QGZVFWFLSA-N 1 0 344.415 3.111 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)CCC1CCCCC1 ZINC000507607975 312079240 /nfs/dbraw/zinc/07/92/40/312079240.db2.gz KKRKJXRKFNRMMS-UHFFFAOYSA-N 1 0 349.431 3.444 20 5 EGBDRO CC(C)[N@H+](CCc1ccc([N+](=O)[O-])cc1)CC(=O)N1CCCCCC1 ZINC000513236203 312205086 /nfs/dbraw/zinc/20/50/86/312205086.db2.gz JMQQEOFYQOVPNX-UHFFFAOYSA-N 1 0 347.459 3.250 20 5 EGBDRO C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CCN1C ZINC000513831480 312218588 /nfs/dbraw/zinc/21/85/88/312218588.db2.gz SAIGIKPQLVRFAP-AHCXZYCDSA-N 1 0 331.460 3.378 20 5 EGBDRO CCOc1cc(C[N@@H+](Cc2ccccc2)C[C@H](C)O)ccc1[N+](=O)[O-] ZINC000514769391 312244340 /nfs/dbraw/zinc/24/43/40/312244340.db2.gz MPHFHWVNUPNKEC-HNNXBMFYSA-N 1 0 344.411 3.377 20 5 EGBDRO CC(=O)Nc1ccc(CC[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000515311589 312276197 /nfs/dbraw/zinc/27/61/97/312276197.db2.gz OZZHTGLNSKYOSQ-GOSISDBHSA-N 1 0 339.395 3.373 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H](O)Cc1cccc(F)c1 ZINC000515599109 312290554 /nfs/dbraw/zinc/29/05/54/312290554.db2.gz HLAORYHNNXDKHD-CXAGYDPISA-N 1 0 332.375 3.297 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CCN(CC(F)(F)F)C1 ZINC000526046500 312786513 /nfs/dbraw/zinc/78/65/13/312786513.db2.gz TYOMAXNCESVVDH-VDBIKXPHSA-N 1 0 343.349 3.224 20 5 EGBDRO CCC[C@@H]([NH2+]C[C@H](O)COc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000531944110 313734223 /nfs/dbraw/zinc/73/42/23/313734223.db2.gz RDEWBGKQAUVSPB-PKOBYXMFSA-N 1 0 344.411 3.466 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@H](O)CCc1ccccc1 ZINC000544347538 314689498 /nfs/dbraw/zinc/68/94/98/314689498.db2.gz JPLYEQJSIRSZHU-OEPRFQHASA-N 1 0 326.396 3.191 20 5 EGBDRO CCC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000548160475 314979993 /nfs/dbraw/zinc/97/99/93/314979993.db2.gz TVRXPKWSCSPCIT-HFTRVMKXSA-N 1 0 336.432 3.283 20 5 EGBDRO CCC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000548488200 315016206 /nfs/dbraw/zinc/01/62/06/315016206.db2.gz ZPDQASGNNZITDV-HIFRSBDPSA-N 1 0 349.431 3.490 20 5 EGBDRO COc1ncc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)cc1Cl ZINC000549169704 315079707 /nfs/dbraw/zinc/07/97/07/315079707.db2.gz AQBHJLUMRGKZDT-UHFFFAOYSA-N 1 0 335.791 3.326 20 5 EGBDRO CCC[C@H](C)C(=O)NCC[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000551222792 315145702 /nfs/dbraw/zinc/14/57/02/315145702.db2.gz MGORTFXTWMQGQX-GUYCJALGSA-N 1 0 347.459 3.459 20 5 EGBDRO CCC[C@@H](C)C(=O)NCC[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000552072108 315195387 /nfs/dbraw/zinc/19/53/87/315195387.db2.gz VVRFGGXBWFTOMQ-ATGUSINASA-N 1 0 333.432 3.140 20 5 EGBDRO C[C@@H]1CN(c2ccc(Nc3c(F)cccc3[N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000553299624 315256115 /nfs/dbraw/zinc/25/61/15/315256115.db2.gz NCAVYEDVAOHDCZ-TXEJJXNPSA-N 1 0 346.362 3.486 20 5 EGBDRO O=C(CC[NH2+]CCc1c(F)cccc1F)Nc1ccccc1[N+](=O)[O-] ZINC000554527521 315328245 /nfs/dbraw/zinc/32/82/45/315328245.db2.gz AJHMJMRPWFKRHI-UHFFFAOYSA-N 1 0 349.337 3.034 20 5 EGBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H]2Cc3[nH]c4ccccc4c3C2)cc1 ZINC000555949271 315410165 /nfs/dbraw/zinc/41/01/65/315410165.db2.gz NVDJDPIQXNYMLV-ZDUSSCGKSA-N 1 0 337.379 3.212 20 5 EGBDRO C[C@H]1CCC[C@]1(O)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000561057534 315737750 /nfs/dbraw/zinc/73/77/50/315737750.db2.gz JVUVFFGGXSRXFZ-UGSOOPFHSA-N 1 0 330.384 3.496 20 5 EGBDRO CC1(C)CC[N@H+](CC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000563408832 316016331 /nfs/dbraw/zinc/01/63/31/316016331.db2.gz NJNDZSYTFJZULU-INIZCTEOSA-N 1 0 345.443 3.033 20 5 EGBDRO CCC[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000563617706 316047019 /nfs/dbraw/zinc/04/70/19/316047019.db2.gz IXGRJYHJZKKNMH-HOTGVXAUSA-N 1 0 336.432 3.283 20 5 EGBDRO O=C(CC[NH2+][C@H]1CCCC(F)(F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000564854278 316218895 /nfs/dbraw/zinc/21/88/95/316218895.db2.gz OBZWPQJOTCWARK-NSHDSACASA-N 1 0 327.331 3.091 20 5 EGBDRO O=C(CC[NH2+][C@@H]1CCC[C@H](C2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000565593588 316344263 /nfs/dbraw/zinc/34/42/63/316344263.db2.gz BFWKLXZBFQDQEH-LSDHHAIUSA-N 1 0 331.416 3.482 20 5 EGBDRO CCCN(CC[NH+](CC)CC)C(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000566046540 316406596 /nfs/dbraw/zinc/40/65/96/316406596.db2.gz ZQTTZBYPRUPONT-OAHLLOKOSA-N 1 0 335.448 3.279 20 5 EGBDRO CC[C@@H]1C[N@H+](C)CCN1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000570066877 317003348 /nfs/dbraw/zinc/00/33/48/317003348.db2.gz JHFZMCGKFHQSCM-OAHLLOKOSA-N 1 0 329.400 3.381 20 5 EGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCN(Cc2ccccc2)C1 ZINC000570293708 317035805 /nfs/dbraw/zinc/03/58/05/317035805.db2.gz WRJJNVWWFMNSIF-APWZRJJASA-N 1 0 337.423 3.446 20 5 EGBDRO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCC[C@H]2[C@@H]2CCCOC2)c(F)c1 ZINC000571556168 317215847 /nfs/dbraw/zinc/21/58/47/317215847.db2.gz JJIDEFXKZUOJMU-BZNIZROVSA-N 1 0 326.343 3.264 20 5 EGBDRO COc1ccc2c(c1F)CC[C@@H]2[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000571956199 317270990 /nfs/dbraw/zinc/27/09/90/317270990.db2.gz GMFONPZVKKKZMH-INIZCTEOSA-N 1 0 346.358 3.398 20 5 EGBDRO COc1cccc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])c1OC ZINC000572497555 317348050 /nfs/dbraw/zinc/34/80/50/317348050.db2.gz VFHFYDQSUHITBU-OAHLLOKOSA-N 1 0 328.368 3.389 20 5 EGBDRO C[C@@H]1CN(C(C)(C)C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C[C@@H](C)O1 ZINC000574054062 317557117 /nfs/dbraw/zinc/55/71/17/317557117.db2.gz SIRSZKADACEKKI-CPUCHLNUSA-N 1 0 347.459 3.060 20 5 EGBDRO C[NH+](C)[C@H]1CCC[C@H](Nc2ncc([N+](=O)[O-])cc2Br)C1 ZINC000267262727 455526668 /nfs/dbraw/zinc/52/66/68/455526668.db2.gz KTAUOTFHVCBEJA-UWVGGRQHSA-N 1 0 343.225 3.037 20 5 EGBDRO COC(=O)C1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000183738646 323629175 /nfs/dbraw/zinc/62/91/75/323629175.db2.gz ZHZSAZCWIIIBDC-UHFFFAOYSA-N 1 0 326.780 3.070 20 5 EGBDRO O=[N+]([O-])c1cccc(CN(Cc2ccccc2)[C@H]2CCC[NH2+]C2)c1 ZINC000575181145 324433698 /nfs/dbraw/zinc/43/36/98/324433698.db2.gz RCUIEUJLNLPUCJ-IBGZPJMESA-N 1 0 325.412 3.349 20 5 EGBDRO CCN(CCC[NH+](CC)CC)C(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000578974347 325043906 /nfs/dbraw/zinc/04/39/06/325043906.db2.gz MOOIINZKHJODIG-OAHLLOKOSA-N 1 0 335.448 3.279 20 5 EGBDRO CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000579065589 325055031 /nfs/dbraw/zinc/05/50/31/325055031.db2.gz AEMVOCYNXLSVJF-RDTXWAMCSA-N 1 0 330.384 3.339 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000579118573 325065911 /nfs/dbraw/zinc/06/59/11/325065911.db2.gz CYLPPULIODJJBT-RHSMWYFYSA-N 1 0 334.416 3.385 20 5 EGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCCOCC1CCOCC1 ZINC000579252257 325085209 /nfs/dbraw/zinc/08/52/09/325085209.db2.gz YQQJVAVONADMIA-QGZVFWFLSA-N 1 0 334.416 3.005 20 5 EGBDRO CC[C@H]1C[N@H+](C)CCN1c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000580940561 325312357 /nfs/dbraw/zinc/31/23/57/325312357.db2.gz VPDXZPNWKDWGFK-HNNXBMFYSA-N 1 0 326.400 3.187 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1CCO[C@@]3(CCOC3)C1)CCCC2 ZINC000581477817 325364768 /nfs/dbraw/zinc/36/47/68/325364768.db2.gz DIROHYLKJUIMEP-IPELMVKDSA-N 1 0 346.427 3.290 20 5 EGBDRO COc1ccc(NC(=O)CC[N@H+](C)[C@H](C)C(C)(C)C)c([N+](=O)[O-])c1 ZINC000581534707 325369657 /nfs/dbraw/zinc/36/96/57/325369657.db2.gz ZJSISFWOOCFXJY-GFCCVEGCSA-N 1 0 337.420 3.298 20 5 EGBDRO CC(C)[N@H+](C)CC1CCN(C(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000581858814 325393504 /nfs/dbraw/zinc/39/35/04/325393504.db2.gz XSUWRUWQRZKJRC-HNNXBMFYSA-N 1 0 347.459 3.277 20 5 EGBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCC[C@@H](N3CCCC3=O)C2)cccc1[N+](=O)[O-] ZINC000583511166 325530626 /nfs/dbraw/zinc/53/06/26/325530626.db2.gz RXZZNZDYQHJEOO-ARFHVFGLSA-N 1 0 345.443 3.487 20 5 EGBDRO C[N@H+](CCO)Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000157723919 455225066 /nfs/dbraw/zinc/22/50/66/455225066.db2.gz YGMLTNUQPYTWAG-UHFFFAOYSA-N 1 0 336.775 3.465 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCC[C@@H]4CCC[C@@H]43)n2)cc1 ZINC000173561958 455306285 /nfs/dbraw/zinc/30/62/85/455306285.db2.gz YPKXUQNICOGEDR-WFASDCNBSA-N 1 0 328.372 3.409 20 5 EGBDRO CC[NH+]1CCN(c2ccc(Nc3ncccc3[N+](=O)[O-])c(C)c2)CC1 ZINC000009368459 453250433 /nfs/dbraw/zinc/25/04/33/453250433.db2.gz PFHDVGZRSDNGLZ-UHFFFAOYSA-N 1 0 341.415 3.184 20 5 EGBDRO O=[N+]([O-])c1ccc(CN2CCC[N@H+](Cc3ccccc3)CC2)cc1 ZINC000014813010 453544935 /nfs/dbraw/zinc/54/49/35/453544935.db2.gz RUGQGVCFBZKIRU-UHFFFAOYSA-N 1 0 325.412 3.303 20 5 EGBDRO CC[C@@H](c1ccc(-c2ccc([N+](=O)[O-])nc2)cc1)N1CC[NH2+]CC1 ZINC000600790038 460606605 /nfs/dbraw/zinc/60/66/05/460606605.db2.gz XHDQYDIIJDLCCT-KRWDZBQOSA-N 1 0 326.400 3.013 20 5 EGBDRO CCN1C[C@@H](C[N@H+](C)Cc2cccc([N+](=O)[O-])c2)Oc2ccccc21 ZINC000016423450 453606124 /nfs/dbraw/zinc/60/61/24/453606124.db2.gz HFSOWMBGKULXDE-QGZVFWFLSA-N 1 0 341.411 3.314 20 5 EGBDRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000016783905 453622655 /nfs/dbraw/zinc/62/26/55/453622655.db2.gz BLLBARRBZLUCIZ-UHFFFAOYSA-N 1 0 341.411 3.367 20 5 EGBDRO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000026298833 453795954 /nfs/dbraw/zinc/79/59/54/453795954.db2.gz MFJPCZVGEUCKKB-CQSZACIVSA-N 1 0 337.383 3.369 20 5 EGBDRO C[N@H+](CCC(=O)Nc1cccc(F)c1)Cc1ccccc1[N+](=O)[O-] ZINC000026349230 453797700 /nfs/dbraw/zinc/79/77/00/453797700.db2.gz QCIVMWAUYJCFTO-UHFFFAOYSA-N 1 0 331.347 3.195 20 5 EGBDRO O=[N+]([O-])c1cc(F)ccc1N1CC[NH+](CCc2ccccc2)CC1 ZINC000028620896 453823920 /nfs/dbraw/zinc/82/39/20/453823920.db2.gz YSUVUYRSCYCMIL-UHFFFAOYSA-N 1 0 329.375 3.099 20 5 EGBDRO Cc1cc(C(=O)NCCC[N@@H+](C)C2CCCCC2)ccc1[N+](=O)[O-] ZINC000029177176 453827012 /nfs/dbraw/zinc/82/70/12/453827012.db2.gz RUVOMXZHBABIHR-UHFFFAOYSA-N 1 0 333.432 3.288 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1[C@H](C)CCC[C@H]1C ZINC000066531777 453850752 /nfs/dbraw/zinc/85/07/52/453850752.db2.gz JPRVQSUSYPRURP-CHWSQXEVSA-N 1 0 335.404 3.195 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCC4(CCCC4)C3)o2)cc1 ZINC000174271393 455375842 /nfs/dbraw/zinc/37/58/42/455375842.db2.gz SPDLRAMQASBSRP-UHFFFAOYSA-N 1 0 328.372 3.411 20 5 EGBDRO C[N@@H+](Cc1ccccc1)CC1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000066812942 453876622 /nfs/dbraw/zinc/87/66/22/453876622.db2.gz PXTXHBYRMMQKCD-UHFFFAOYSA-N 1 0 340.427 3.338 20 5 EGBDRO CC(C)N(C)C(=O)C1CC[NH+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000075638105 453914086 /nfs/dbraw/zinc/91/40/86/453914086.db2.gz XDYVDYQHFYXLQE-CQSZACIVSA-N 1 0 333.432 3.235 20 5 EGBDRO O=[N+]([O-])c1cccnc1NC1CC[NH+](CCc2ccccc2)CC1 ZINC000075669879 453915643 /nfs/dbraw/zinc/91/56/43/453915643.db2.gz MUVBOOCZMNZSQF-UHFFFAOYSA-N 1 0 326.400 3.109 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000075955234 453941871 /nfs/dbraw/zinc/94/18/71/453941871.db2.gz CBVIINALZSRYAN-UHFFFAOYSA-N 1 0 342.399 3.287 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)C1CCCCCC1 ZINC000039536603 453944248 /nfs/dbraw/zinc/94/42/48/453944248.db2.gz LYLHIMZRIYAKBF-UHFFFAOYSA-N 1 0 335.404 3.197 20 5 EGBDRO Cc1ccccc1C[N@@H+]1CCCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000042104238 453994286 /nfs/dbraw/zinc/99/42/86/453994286.db2.gz CMDGOFIGSQRJSD-UHFFFAOYSA-N 1 0 326.400 3.011 20 5 EGBDRO CCCC[NH+]1CCC(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000068442285 454027563 /nfs/dbraw/zinc/02/75/63/454027563.db2.gz YXDBLWAXTCLYEG-UHFFFAOYSA-N 1 0 344.415 3.070 20 5 EGBDRO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)N(C)Cc1ccccc1 ZINC000056197312 454043414 /nfs/dbraw/zinc/04/34/14/454043414.db2.gz MNSCHFJQOLXKML-GJZGRUSLSA-N 1 0 341.411 3.293 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000043148821 454045266 /nfs/dbraw/zinc/04/52/66/454045266.db2.gz WYSBWADOVCXLRP-JSGCOSHPSA-N 1 0 334.420 3.145 20 5 EGBDRO C[NH+](C)[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000056341976 454052449 /nfs/dbraw/zinc/05/24/49/454052449.db2.gz UEWZCLGJKAPJJI-MRXNPFEDSA-N 1 0 346.362 3.158 20 5 EGBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000044276704 454094253 /nfs/dbraw/zinc/09/42/53/454094253.db2.gz CIRFQABRNYSGHL-UHFFFAOYSA-N 1 0 342.399 3.320 20 5 EGBDRO COc1cccc([C@H](CNc2cccc(F)c2[N+](=O)[O-])[NH+](C)C)c1 ZINC000044532183 454105151 /nfs/dbraw/zinc/10/51/51/454105151.db2.gz QQRYUMVRGMRVRR-INIZCTEOSA-N 1 0 333.363 3.457 20 5 EGBDRO COc1ccc(NC(=O)[C@@H](C)[N@H+](C)CC2CCCCC2)c([N+](=O)[O-])c1 ZINC000044714965 454116170 /nfs/dbraw/zinc/11/61/70/454116170.db2.gz OMJGTRFOXZXKJK-CYBMUJFWSA-N 1 0 349.431 3.443 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC[N@@H+](C(C)C)CC1 ZINC000094102377 454186203 /nfs/dbraw/zinc/18/62/03/454186203.db2.gz YFIDDWWTUZTPDT-UHFFFAOYSA-N 1 0 333.432 3.076 20 5 EGBDRO CC(=O)Nc1ccc([C@@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000182062350 455427550 /nfs/dbraw/zinc/42/75/50/455427550.db2.gz SZVJHHHLGNURFP-CYBMUJFWSA-N 1 0 327.384 3.447 20 5 EGBDRO COCC1CC[NH+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000089897717 454230131 /nfs/dbraw/zinc/23/01/31/454230131.db2.gz MGQIYKNGZZDYAN-UHFFFAOYSA-N 1 0 331.372 3.108 20 5 EGBDRO Cc1ccc([C@H](C)NC2CC[NH+](C[C@@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000095968178 454242248 /nfs/dbraw/zinc/24/22/48/454242248.db2.gz ZKQWYMXVXYADSG-HOTGVXAUSA-N 1 0 347.459 3.055 20 5 EGBDRO Cc1ccc([C@@H](C)NC2CC[NH+](C[C@@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000095968177 454242501 /nfs/dbraw/zinc/24/25/01/454242501.db2.gz ZKQWYMXVXYADSG-CVEARBPZSA-N 1 0 347.459 3.055 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000120140151 454263503 /nfs/dbraw/zinc/26/35/03/454263503.db2.gz PJEHLWZFWXBVOO-CQSZACIVSA-N 1 0 334.420 3.208 20 5 EGBDRO O=[N+]([O-])c1cccnc1NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000060082162 454268227 /nfs/dbraw/zinc/26/82/27/454268227.db2.gz URUCITQHMCPGLC-UHFFFAOYSA-N 1 0 326.400 3.314 20 5 EGBDRO COc1ccc([C@@H](CCO)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000120383250 454293740 /nfs/dbraw/zinc/29/37/40/454293740.db2.gz ARKSOLMLCXCLNY-SCLBCKFNSA-N 1 0 330.384 3.378 20 5 EGBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1cccc(Cl)c1Cl ZINC000090539238 454318573 /nfs/dbraw/zinc/31/85/73/454318573.db2.gz HVWDNYAHPNTCAS-SECBINFHSA-N 1 0 329.187 3.449 20 5 EGBDRO CC[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccccc1OC(F)F ZINC000090537817 454318867 /nfs/dbraw/zinc/31/88/67/454318867.db2.gz JRLZRRLFSXHRRX-ZDUSSCGKSA-N 1 0 340.330 3.134 20 5 EGBDRO CCc1ccc([C@H]([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)C(C)C)cc1 ZINC000090552877 454321005 /nfs/dbraw/zinc/32/10/05/454321005.db2.gz JRNFIJSORKMBOL-LJQANCHMSA-N 1 0 343.427 3.306 20 5 EGBDRO COC1(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CCOCC1 ZINC000090651407 454332344 /nfs/dbraw/zinc/33/23/44/454332344.db2.gz MVGITIRMSWDHEY-WBVHZDCISA-N 1 0 348.443 3.091 20 5 EGBDRO CC(C)(C)CC[NH+]1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000079215969 454383077 /nfs/dbraw/zinc/38/30/77/454383077.db2.gz GDUCTEOCWCVDGM-UHFFFAOYSA-N 1 0 335.448 3.027 20 5 EGBDRO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)NCc1ccc(F)cc1 ZINC000079309384 454396382 /nfs/dbraw/zinc/39/63/82/454396382.db2.gz JDVMURLXFGWSTK-CHWSQXEVSA-N 1 0 345.374 3.089 20 5 EGBDRO CC(C)C[N@@H+]1CCO[C@@H](CNc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000098078749 454452344 /nfs/dbraw/zinc/45/23/44/454452344.db2.gz ZDDIAQUENDCWEV-ZDUSSCGKSA-N 1 0 327.812 3.017 20 5 EGBDRO CC(C)N(C)C(=O)C1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000091952254 454492979 /nfs/dbraw/zinc/49/29/79/454492979.db2.gz ZFWPBRKYXPSUOP-SOFGYWHQSA-N 1 0 345.443 3.187 20 5 EGBDRO COC(=O)[C@H](C)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000079922056 454498858 /nfs/dbraw/zinc/49/88/58/454498858.db2.gz CLCLGXZSPWTEDK-DYVFJYSZSA-N 1 0 328.368 3.235 20 5 EGBDRO Cc1cc(C(=O)N2CCC[C@@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)ccc1[N+](=O)[O-] ZINC000064725988 454501336 /nfs/dbraw/zinc/50/13/36/454501336.db2.gz NHEZCDMCLYXHAJ-HLLBOEOZSA-N 1 0 345.443 3.381 20 5 EGBDRO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)Cc1ccoc1 ZINC000102409359 454502661 /nfs/dbraw/zinc/50/26/61/454502661.db2.gz GXFXVEBYWJXINT-UHFFFAOYSA-N 1 0 331.372 3.347 20 5 EGBDRO Cn1cc(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)cn1 ZINC000102424150 454505259 /nfs/dbraw/zinc/50/52/59/454505259.db2.gz WLKUDTQJQLJENZ-UHFFFAOYSA-N 1 0 328.397 3.347 20 5 EGBDRO COCC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1cccs1 ZINC000065222892 454540362 /nfs/dbraw/zinc/54/03/62/454540362.db2.gz MMCFMLNCCPBUFJ-UHFFFAOYSA-N 1 0 336.413 3.184 20 5 EGBDRO CS[C@@H]1CCCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000134614843 454569685 /nfs/dbraw/zinc/56/96/85/454569685.db2.gz GQGXITUQFVTTEU-CYBMUJFWSA-N 1 0 337.445 3.141 20 5 EGBDRO CC[NH+](CC)C[C@H]1CCN(c2ccc([N+](=O)[O-])c3cccnc32)C1 ZINC000092658489 454603982 /nfs/dbraw/zinc/60/39/82/454603982.db2.gz SFAFMHLAJANSNQ-CQSZACIVSA-N 1 0 328.416 3.311 20 5 EGBDRO Cc1cc(N2CCC[N@H+](Cc3ccccc3)CC2)ncc1[N+](=O)[O-] ZINC000080597242 454604184 /nfs/dbraw/zinc/60/41/84/454604184.db2.gz YCYIOVPVYRUZMF-UHFFFAOYSA-N 1 0 326.400 3.011 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N(CC[NH+](C)C)C1CCCCC1 ZINC000065746194 454618494 /nfs/dbraw/zinc/61/84/94/454618494.db2.gz OBNHRLOZPAYACT-UHFFFAOYSA-N 1 0 333.432 3.240 20 5 EGBDRO COc1ccc(-c2ccc(C[NH2+]C[C@@H](C)C[C@@H](C)O)o2)c([N+](=O)[O-])c1 ZINC000123459337 454639827 /nfs/dbraw/zinc/63/98/27/454639827.db2.gz YVHULZMMHLDCJX-QWHCGFSZSA-N 1 0 348.399 3.360 20 5 EGBDRO CCc1nn(C)c(NCc2ccccc2C[N@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000092828736 454643100 /nfs/dbraw/zinc/64/31/00/454643100.db2.gz YZELPSGAGQXKQX-UHFFFAOYSA-N 1 0 345.447 3.343 20 5 EGBDRO Cc1cc(NC2CC[NH+](Cc3ccncc3)CC2)ccc1[N+](=O)[O-] ZINC000052447972 454673139 /nfs/dbraw/zinc/67/31/39/454673139.db2.gz HKOMAQUEKBRWMZ-UHFFFAOYSA-N 1 0 326.400 3.375 20 5 EGBDRO C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc(Cl)cc1Cl ZINC000176193910 454709389 /nfs/dbraw/zinc/70/93/89/454709389.db2.gz VPXBHXYMURCRKM-SECBINFHSA-N 1 0 329.187 3.449 20 5 EGBDRO CC(C)C[NH+]1CCC(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000136919970 454761265 /nfs/dbraw/zinc/76/12/65/454761265.db2.gz OOMXNXMYMTXSHE-UHFFFAOYSA-N 1 0 339.823 3.098 20 5 EGBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000137071906 454768347 /nfs/dbraw/zinc/76/83/47/454768347.db2.gz JSQGMMFGIXFIDX-LBPRGKRZSA-N 1 0 339.823 3.243 20 5 EGBDRO O=[N+]([O-])c1ccc(NC[C@H]2CCC[N@H+](Cc3cccs3)C2)nc1 ZINC000142814272 454838900 /nfs/dbraw/zinc/83/89/00/454838900.db2.gz POULMZGSZBLWDV-CYBMUJFWSA-N 1 0 332.429 3.375 20 5 EGBDRO O=C(NC1CC[NH+](C2CCCCC2)CC1)c1cc(F)ccc1[N+](=O)[O-] ZINC000177261988 454843635 /nfs/dbraw/zinc/84/36/35/454843635.db2.gz BFIFHJFOTSCAOF-UHFFFAOYSA-N 1 0 349.406 3.261 20 5 EGBDRO COc1cc(C(=O)Nc2cc(C[NH+](C)C)ccc2C)ccc1[N+](=O)[O-] ZINC000177324890 454852125 /nfs/dbraw/zinc/85/21/25/454852125.db2.gz KGDXNSPGYIVCGD-UHFFFAOYSA-N 1 0 343.383 3.226 20 5 EGBDRO C[C@@H](c1ccc(F)cc1)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000112656532 454894616 /nfs/dbraw/zinc/89/46/16/454894616.db2.gz JCCBXPUSDYVILP-WFASDCNBSA-N 1 0 330.363 3.376 20 5 EGBDRO O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000170227870 454934079 /nfs/dbraw/zinc/93/40/79/454934079.db2.gz PEAQJSTXWOBOEO-OAHLLOKOSA-N 1 0 325.368 3.055 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@H](C)c1ccncc1 ZINC000127650547 454985520 /nfs/dbraw/zinc/98/55/20/454985520.db2.gz IDIBOSZAEQGYKS-CQSZACIVSA-N 1 0 342.399 3.320 20 5 EGBDRO C[C@@H](C1CC1)[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C1CC1 ZINC000128284392 455042720 /nfs/dbraw/zinc/04/27/20/455042720.db2.gz VMTBCIHCSSJTSL-NSHDSACASA-N 1 0 335.379 3.325 20 5 EGBDRO C[NH+]1CCC(CCNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 ZINC000171211763 455046621 /nfs/dbraw/zinc/04/66/21/455046621.db2.gz XADIQALOVYUTLI-UHFFFAOYSA-N 1 0 347.440 3.271 20 5 EGBDRO O=[N+]([O-])c1ccc(C[N@@H+](Cc2ccccc2)[C@H](CO)C2CC2)cc1 ZINC000155923495 455063411 /nfs/dbraw/zinc/06/34/11/455063411.db2.gz HGGCBLGIGZBBSZ-LJQANCHMSA-N 1 0 326.396 3.368 20 5 EGBDRO Cc1c([C@@H](C)[NH2+]CCC(=O)NC2CCCCC2)cccc1[N+](=O)[O-] ZINC000128704119 455078195 /nfs/dbraw/zinc/07/81/95/455078195.db2.gz JTQHWUBRZUKHSY-CQSZACIVSA-N 1 0 333.432 3.393 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000118841639 455113216 /nfs/dbraw/zinc/11/32/16/455113216.db2.gz YIBHYLJPWSCULD-OAHLLOKOSA-N 1 0 335.448 3.156 20 5 EGBDRO CC(C)c1ccc(CN2CC[NH+](C3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000129768772 455125072 /nfs/dbraw/zinc/12/50/72/455125072.db2.gz CPENYFIVVLHPHR-UHFFFAOYSA-N 1 0 347.459 3.015 20 5 EGBDRO CC[C@H]([NH2+]C[C@H](O)COc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000152573074 455137542 /nfs/dbraw/zinc/13/75/42/455137542.db2.gz FVPRYZCYEVIOHU-WMZOPIPTSA-N 1 0 348.374 3.215 20 5 EGBDRO C[C@@H]1CCCN1CC(=O)Nc1cc(N2CCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000157079139 455163946 /nfs/dbraw/zinc/16/39/46/455163946.db2.gz YLJJOOWGNYIBLT-KGLIPLIRSA-N 1 0 346.431 3.006 20 5 EGBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000172602710 455164244 /nfs/dbraw/zinc/16/42/44/455164244.db2.gz ZPONADMPCYLFEN-FZMZJTMJSA-N 1 0 347.440 3.222 20 5 EGBDRO CCOC(=O)N1CCC([C@@H](C)[NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000189371936 455186791 /nfs/dbraw/zinc/18/67/91/455186791.db2.gz OIOQUSDNAWETGD-LLVKDONJSA-N 1 0 341.433 3.003 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N(CC[NH+](C)C)c2ccccc2)c1 ZINC000172907793 455207857 /nfs/dbraw/zinc/20/78/57/455207857.db2.gz QHCRFJBMBFGVAR-UHFFFAOYSA-N 1 0 327.384 3.112 20 5 EGBDRO Cc1ccnc(N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)c1[N+](=O)[O-] ZINC000265188654 455301342 /nfs/dbraw/zinc/30/13/42/455301342.db2.gz KKQLTNYQXXXHQN-CVEARBPZSA-N 1 0 332.448 3.389 20 5 EGBDRO COc1cccc([C@H](CNc2cccc(OC)c2[N+](=O)[O-])[NH+](C)C)c1 ZINC000181211553 455303202 /nfs/dbraw/zinc/30/32/02/455303202.db2.gz AEAWLLOLLFWMLJ-INIZCTEOSA-N 1 0 345.399 3.327 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@@H](CNC(=O)C(C)C)C1 ZINC000245518051 455319491 /nfs/dbraw/zinc/31/94/91/455319491.db2.gz HGQSIYDKQMKHSJ-HOTGVXAUSA-N 1 0 347.459 3.448 20 5 EGBDRO COc1cc(C[NH2+][C@](C)(CO)C2CCCCC2)c([N+](=O)[O-])cc1F ZINC000184220747 455363085 /nfs/dbraw/zinc/36/30/85/455363085.db2.gz POPZDHWAJOOSJX-QGZVFWFLSA-N 1 0 340.395 3.163 20 5 EGBDRO C[C@@H](NC(=O)c1ccc(F)cc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181631549 455364800 /nfs/dbraw/zinc/36/48/00/455364800.db2.gz QERZNVDRTJYZNI-OLZOCXBDSA-N 1 0 349.406 3.117 20 5 EGBDRO Cc1ncc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)n1-c1ccccc1 ZINC000174288636 455376269 /nfs/dbraw/zinc/37/62/69/455376269.db2.gz UACRZXHAHWRBJL-UHFFFAOYSA-N 1 0 336.395 3.421 20 5 EGBDRO C[C@H]([NH2+][C@@H]1CCN(C2CCCCC2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000160151401 455433113 /nfs/dbraw/zinc/43/31/13/455433113.db2.gz UZLULOZXNZGNMO-SUMWQHHRSA-N 1 0 331.416 3.179 20 5 EGBDRO CC(=O)c1ccc(NC2CC[NH+](CCOC(C)C)CC2)c([N+](=O)[O-])c1 ZINC000267111780 455502992 /nfs/dbraw/zinc/50/29/92/455502992.db2.gz YVYBWCYEJAYFQM-UHFFFAOYSA-N 1 0 349.431 3.099 20 5 EGBDRO CCCC[C@@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000191828722 455524236 /nfs/dbraw/zinc/52/42/36/455524236.db2.gz CAWMPQYYTLRYOG-HIFRSBDPSA-N 1 0 349.431 3.490 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000182492601 455524800 /nfs/dbraw/zinc/52/48/00/455524800.db2.gz OSXXQLVMJNXVQZ-LXZKKBNFSA-N 1 0 331.416 3.352 20 5 EGBDRO O=[N+]([O-])c1cnn(CC[NH2+]C2(Cc3ccccc3)CCCCC2)c1 ZINC000185458267 455559898 /nfs/dbraw/zinc/55/98/98/455559898.db2.gz SRTFYLUXPKJITF-UHFFFAOYSA-N 1 0 328.416 3.327 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@@H]2CCN(c3cc[nH+]c4ccccc43)C2)nc1 ZINC000192154850 455565764 /nfs/dbraw/zinc/56/57/64/455565764.db2.gz QWBXDKAZLPIQLH-CYBMUJFWSA-N 1 0 335.367 3.229 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)C1CCCCC1 ZINC000182691128 455569737 /nfs/dbraw/zinc/56/97/37/455569737.db2.gz YTSQNSLYVQDPRM-LBPRGKRZSA-N 1 0 335.404 3.100 20 5 EGBDRO CC(=O)c1ccc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000292283238 455618027 /nfs/dbraw/zinc/61/80/27/455618027.db2.gz MLZHFCRIPYSCDY-CYBMUJFWSA-N 1 0 331.416 3.108 20 5 EGBDRO C[NH+](C)CCN(CCCc1ccccc1)c1ncc([N+](=O)[O-])s1 ZINC000192481091 455628609 /nfs/dbraw/zinc/62/86/09/455628609.db2.gz FRACJAOMGGRPHA-UHFFFAOYSA-N 1 0 334.445 3.052 20 5 EGBDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000284050665 455628847 /nfs/dbraw/zinc/62/88/47/455628847.db2.gz PUBNGWJVFYOBMG-LLVKDONJSA-N 1 0 340.811 3.054 20 5 EGBDRO CC[NH+](CC)CCN(CCC(F)(F)F)c1ncc([N+](=O)[O-])s1 ZINC000192505395 455633392 /nfs/dbraw/zinc/63/33/92/455633392.db2.gz KGKXKCBSMAXMIK-UHFFFAOYSA-N 1 0 340.371 3.152 20 5 EGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)CC[S@](C)=O ZINC000271553943 455682139 /nfs/dbraw/zinc/68/21/39/455682139.db2.gz WFPCIHSTHJLAST-SASJJMKUSA-N 1 0 344.502 3.212 20 5 EGBDRO COC(=O)N1CCC([C@@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000186048924 455684025 /nfs/dbraw/zinc/68/40/25/455684025.db2.gz WBDKSNNCPIVRIZ-CHWSQXEVSA-N 1 0 335.404 3.112 20 5 EGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@](C)(O)c1ccccc1 ZINC000268923103 455731752 /nfs/dbraw/zinc/73/17/52/455731752.db2.gz XJFWHHRAYNUXDP-HNAYVOBHSA-N 1 0 328.412 3.413 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCC[C@@H]3[C@@H]3CCCO3)co2)cc1 ZINC000284736036 455734196 /nfs/dbraw/zinc/73/41/96/455734196.db2.gz KOTGNBKQKNUZOW-SJORKVTESA-N 1 0 343.383 3.393 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c1 ZINC000268932256 455735696 /nfs/dbraw/zinc/73/56/96/455735696.db2.gz CMPPUJZKUZFYLG-QZTJIDSGSA-N 1 0 333.432 3.083 20 5 EGBDRO COC(=O)N1CCC([C@@H](C)[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000186356563 455750323 /nfs/dbraw/zinc/75/03/23/455750323.db2.gz SCJMFIXNAGNVOP-HZRUHFOJSA-N 1 0 347.415 3.065 20 5 EGBDRO C[C@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1ccc([S@](C)=O)cc1 ZINC000271777805 455755994 /nfs/dbraw/zinc/75/59/94/455755994.db2.gz GJXSHKGXHYMSFR-RZFZLAGVSA-N 1 0 348.424 3.062 20 5 EGBDRO C[N@@H+](Cc1ccccc1[N+](=O)[O-])CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000186495026 455781900 /nfs/dbraw/zinc/78/19/00/455781900.db2.gz OHBFVDXDGBEHGO-UHFFFAOYSA-N 1 0 347.459 3.311 20 5 EGBDRO CCSCC[C@@H](C)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000194056234 455796358 /nfs/dbraw/zinc/79/63/58/455796358.db2.gz TYVGIKSPPNBWKC-LLVKDONJSA-N 1 0 327.406 3.467 20 5 EGBDRO C[N@@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C[C@@H]1CCC[C@H]1O ZINC000252486714 455810895 /nfs/dbraw/zinc/81/08/95/455810895.db2.gz MKKNKHPPZJYPAK-XJKSGUPXSA-N 1 0 347.440 3.311 20 5 EGBDRO CCO[C@@H](C[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)c1ccccc1 ZINC000194466702 455846222 /nfs/dbraw/zinc/84/62/22/455846222.db2.gz UKFQBPXZFMONMQ-SFHVURJKSA-N 1 0 330.384 3.471 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000269451600 455848188 /nfs/dbraw/zinc/84/81/88/455848188.db2.gz VXEKDWSLHXMFFT-FZMZJTMJSA-N 1 0 336.823 3.096 20 5 EGBDRO Cc1cccc(C(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000187185795 455878475 /nfs/dbraw/zinc/87/84/75/455878475.db2.gz BVGUPXZKDJLUFQ-RDTXWAMCSA-N 1 0 341.411 3.324 20 5 EGBDRO Cc1ccc(CN2CC[NH2+]C[C@H]2c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000261603319 455911604 /nfs/dbraw/zinc/91/16/04/455911604.db2.gz ARUQLPICDVESSZ-SFHVURJKSA-N 1 0 329.375 3.189 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCC([C@H]3CCC[NH2+]3)CC2)c2ncccc12 ZINC000261703642 455931249 /nfs/dbraw/zinc/93/12/49/455931249.db2.gz OZSKWZKZPOKBCK-OAHLLOKOSA-N 1 0 326.400 3.111 20 5 EGBDRO COc1cccc([C@H](CNc2ncc([N+](=O)[O-])s2)[NH+]2CCCC2)c1 ZINC000195506080 455971235 /nfs/dbraw/zinc/97/12/35/455971235.db2.gz IMYPCVSZWIRWNS-AWEZNQCLSA-N 1 0 348.428 3.309 20 5 EGBDRO COC(=O)c1csc([C@@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])c1 ZINC000286141257 455985720 /nfs/dbraw/zinc/98/57/20/455985720.db2.gz OYOQUDCCJYBSEC-LLVKDONJSA-N 1 0 334.397 3.336 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CC[C@H](COc3ccccc3)C2)c1 ZINC000272608454 456013136 /nfs/dbraw/zinc/01/31/36/456013136.db2.gz RZCGITCEJUEEQP-KXBFYZLASA-N 1 0 342.395 3.029 20 5 EGBDRO C[S@](=O)C1(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCC1 ZINC000280613452 456013231 /nfs/dbraw/zinc/01/32/31/456013231.db2.gz KIBYHOVLNXSESW-DEOSSOPVSA-N 1 0 348.424 3.246 20 5 EGBDRO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)Cc1ccncc1 ZINC000271004731 456092909 /nfs/dbraw/zinc/09/29/09/456092909.db2.gz KZLQGGKJTWOAAR-UHFFFAOYSA-N 1 0 342.399 3.149 20 5 EGBDRO COc1cccc([C@H](CNc2ncc(C)cc2[N+](=O)[O-])[NH+](C)C)c1 ZINC000301350037 456096472 /nfs/dbraw/zinc/09/64/72/456096472.db2.gz JOAHZLYZSBGDOZ-INIZCTEOSA-N 1 0 330.388 3.022 20 5 EGBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000301436176 456115010 /nfs/dbraw/zinc/11/50/10/456115010.db2.gz HNGRBYWUOZZNNT-AWEZNQCLSA-N 1 0 328.416 3.454 20 5 EGBDRO O=[N+]([O-])c1ccc(NCC[NH+]2CCCCCC2)cc1OC(F)F ZINC000301552833 456144837 /nfs/dbraw/zinc/14/48/37/456144837.db2.gz VVPRQVRPPWIEGG-UHFFFAOYSA-N 1 0 329.347 3.484 20 5 EGBDRO C[C@H](Nc1ccc([N+](=O)[O-])c(OC(F)F)c1)C1=CC[N@H+](C)CC1 ZINC000273015351 456145388 /nfs/dbraw/zinc/14/53/88/456145388.db2.gz SQEHTGQOWGJUHV-JTQLQIEISA-N 1 0 327.331 3.259 20 5 EGBDRO Cc1ccccc1C[C@H](CO)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000188918642 456169882 /nfs/dbraw/zinc/16/98/82/456169882.db2.gz OSRAWIGZPOXSKB-WGLAMXGCSA-N 1 0 326.396 3.110 20 5 EGBDRO Cc1ccc([C@@H](CNc2ccc([N+](=O)[O-])c(C)n2)[NH+]2CCCC2)o1 ZINC000301641107 456171484 /nfs/dbraw/zinc/17/14/84/456171484.db2.gz MHDKDQODIBQSAX-OAHLLOKOSA-N 1 0 330.388 3.449 20 5 EGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC[C@H](C)CCO ZINC000297388512 456206314 /nfs/dbraw/zinc/20/63/14/456206314.db2.gz RQLPXFQEQIBQOW-UONOGXRCSA-N 1 0 326.462 3.464 20 5 EGBDRO CN(C)C(=O)CCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000237141591 456237060 /nfs/dbraw/zinc/23/70/60/456237060.db2.gz CNFDMEHUTFFUCW-UHFFFAOYSA-N 1 0 347.440 3.281 20 5 EGBDRO Cc1c(NC(=O)NCCCCC[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000297599580 456260878 /nfs/dbraw/zinc/26/08/78/456260878.db2.gz ZAURFJJXGMIXLC-UHFFFAOYSA-N 1 0 334.420 3.291 20 5 EGBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(Nc2ncc([N+](=O)[O-])c(N)n2)cc1 ZINC000301987784 456265292 /nfs/dbraw/zinc/26/52/92/456265292.db2.gz LBJQOSDVGZKHDJ-GFCCVEGCSA-N 1 0 342.403 3.085 20 5 EGBDRO CC[C@@H]1CN([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCCO1 ZINC000281566635 456266829 /nfs/dbraw/zinc/26/68/29/456266829.db2.gz YQPOKKHFIUGZCP-SWLSCSKDSA-N 1 0 346.387 3.207 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000297955648 456333162 /nfs/dbraw/zinc/33/31/62/456333162.db2.gz XNKCMJBNNBKKOS-SFHVURJKSA-N 1 0 346.431 3.161 20 5 EGBDRO C[C@H]1CSC[C@@H]1[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000352819135 456334541 /nfs/dbraw/zinc/33/45/41/456334541.db2.gz XDBXRWDRNKKOEE-FZMZJTMJSA-N 1 0 333.413 3.133 20 5 EGBDRO C[NH+](C)[C@H](CNc1c2c(ccc1[N+](=O)[O-])NCC2)c1ccc(F)cc1 ZINC000302479498 456347874 /nfs/dbraw/zinc/34/78/74/456347874.db2.gz WBEPRMSIMAEXPA-QGZVFWFLSA-N 1 0 344.390 3.417 20 5 EGBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCCC[C@@H]1C ZINC000343069664 456384936 /nfs/dbraw/zinc/38/49/36/456384936.db2.gz ZCQVFNAHCCVXAG-NWDGAFQWSA-N 1 0 339.823 3.241 20 5 EGBDRO COC(=O)C[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)C1CCCCC1 ZINC000347955773 456427602 /nfs/dbraw/zinc/42/76/02/456427602.db2.gz IXAOKUCWEYDSPQ-ZDUSSCGKSA-N 1 0 326.418 3.258 20 5 EGBDRO Cc1ccc(C[NH2+][C@@]2(CO)CCCc3ccccc32)cc1[N+](=O)[O-] ZINC000282199470 456442113 /nfs/dbraw/zinc/44/21/13/456442113.db2.gz CMOGQYKFIOKBQY-LJQANCHMSA-N 1 0 326.396 3.217 20 5 EGBDRO CCOC(=O)c1ccc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)o1 ZINC000282354123 456487216 /nfs/dbraw/zinc/48/72/16/456487216.db2.gz CVBUXPQXOFTUNN-UHFFFAOYSA-N 1 0 332.356 3.039 20 5 EGBDRO COc1ncccc1CC[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000353144033 456519171 /nfs/dbraw/zinc/51/91/71/456519171.db2.gz BOWDPQPRDGIXBY-KAMYIIQDSA-N 1 0 327.384 3.234 20 5 EGBDRO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCCC3(CCC3)C2)cccc1[N+](=O)[O-] ZINC000348192805 456527339 /nfs/dbraw/zinc/52/73/39/456527339.db2.gz JFVYYKSMXIAKFK-CQSZACIVSA-N 1 0 331.416 3.496 20 5 EGBDRO O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1csc([N+](=O)[O-])c1 ZINC000298744143 456529623 /nfs/dbraw/zinc/52/96/23/456529623.db2.gz MUGBOHSEFWATBJ-HNNXBMFYSA-N 1 0 345.424 3.223 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)c1ccc2n[nH]cc2c1 ZINC000353186993 456547108 /nfs/dbraw/zinc/54/71/08/456547108.db2.gz FEFDPIUBJVZCGB-NSHDSACASA-N 1 0 326.356 3.331 20 5 EGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@@H](CO)Cc1ccc(F)cc1 ZINC000276685791 456550413 /nfs/dbraw/zinc/55/04/13/456550413.db2.gz JCYIHBHBBBGQHV-OAHLLOKOSA-N 1 0 338.766 3.081 20 5 EGBDRO O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)[C@@H]1CCC[NH2+]1 ZINC000337887034 456587525 /nfs/dbraw/zinc/58/75/25/456587525.db2.gz WTNNMKQWEKEBII-INIZCTEOSA-N 1 0 327.340 3.078 20 5 EGBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000323687788 456655889 /nfs/dbraw/zinc/65/58/89/456655889.db2.gz IMPJEQVZBXVTKB-MWLCHTKSSA-N 1 0 330.310 3.047 20 5 EGBDRO C[C@@H](CNc1ncnc2ccc([N+](=O)[O-])cc21)C[NH+]1CCCCC1 ZINC000325534996 456684263 /nfs/dbraw/zinc/68/42/63/456684263.db2.gz RCMMOFZNGRJUKM-ZDUSSCGKSA-N 1 0 329.404 3.072 20 5 EGBDRO Cc1cccc(NCCNc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)n1 ZINC000340803433 456694451 /nfs/dbraw/zinc/69/44/51/456694451.db2.gz SDQGMEDYGXGHRB-UHFFFAOYSA-N 1 0 337.383 3.101 20 5 EGBDRO Cc1cc(C)cc(OC[C@H](O)C[NH2+]Cc2cccc([N+](=O)[O-])c2C)c1 ZINC000327594422 456707705 /nfs/dbraw/zinc/70/77/05/456707705.db2.gz GGFRCBDZWMHSPC-QGZVFWFLSA-N 1 0 344.411 3.050 20 5 EGBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccccc1-n1ccnn1 ZINC000353526853 456737299 /nfs/dbraw/zinc/73/72/99/456737299.db2.gz JQTIJQBOUKEJOW-AWEZNQCLSA-N 1 0 337.383 3.069 20 5 EGBDRO C[C@@H](NCc1ccc([N+](=O)[O-])c(F)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000283278378 456749289 /nfs/dbraw/zinc/74/92/89/456749289.db2.gz WZQAONPYUPQOFK-UKRRQHHQSA-N 1 0 335.423 3.477 20 5 EGBDRO C[C@@H]([NH2+]C[C@H](c1ccccc1)N(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283690494 456824444 /nfs/dbraw/zinc/82/44/44/456824444.db2.gz AEWAHQZWPBJEEY-FZKQIMNGSA-N 1 0 328.416 3.131 20 5 EGBDRO CO[C@@H]1CCC[C@H]1C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000341274838 456830333 /nfs/dbraw/zinc/83/03/33/456830333.db2.gz YCXDZIPCCBVQFK-GXFFZTMASA-N 1 0 330.331 3.101 20 5 EGBDRO Cc1ccc(C[N@@H+](C)CCCN(C)Cc2ccco2)cc1[N+](=O)[O-] ZINC000348811049 456866123 /nfs/dbraw/zinc/86/61/23/456866123.db2.gz AZEFKJXMJHKYST-UHFFFAOYSA-N 1 0 331.416 3.450 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](C[C@H]3C[C@@H]3c3ccccc3)C2)nc1 ZINC000353712804 456867401 /nfs/dbraw/zinc/86/74/01/456867401.db2.gz QCRVWVSQZJIRLX-JFIYKMOQSA-N 1 0 338.411 3.280 20 5 EGBDRO Cc1cc(NC(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000353770913 456899704 /nfs/dbraw/zinc/89/97/04/456899704.db2.gz VLBTWSSDDDPOEX-CQSZACIVSA-N 1 0 334.420 3.145 20 5 EGBDRO O=[N+]([O-])c1ccc(C[N@@H+](C[C@H](O)Cc2ccc(F)cc2)C2CC2)cc1 ZINC000339059217 456920946 /nfs/dbraw/zinc/92/09/46/456920946.db2.gz HHKZOBDVLZKFLD-LJQANCHMSA-N 1 0 344.386 3.302 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000353910601 456962401 /nfs/dbraw/zinc/96/24/01/456962401.db2.gz DLUDYUBEDDDXOL-MRXNPFEDSA-N 1 0 346.431 3.249 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](C)C(C)(C)C1 ZINC000354042376 457028320 /nfs/dbraw/zinc/02/83/20/457028320.db2.gz MIUUKKBNLYTVGM-ZDUSSCGKSA-N 1 0 349.431 3.300 20 5 EGBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)CC[NH+](C)C ZINC000356626929 457089936 /nfs/dbraw/zinc/08/99/36/457089936.db2.gz GHLPFNGQBOTDII-GFCCVEGCSA-N 1 0 339.461 3.167 20 5 EGBDRO CC(C)C[C@@H]([NH3+])c1noc(-c2ccc(N3CCCC3)c([N+](=O)[O-])c2)n1 ZINC000339394159 457090809 /nfs/dbraw/zinc/09/08/09/457090809.db2.gz PHFRYTWCLLQPEW-CYBMUJFWSA-N 1 0 345.403 3.291 20 5 EGBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)CC[NH+](C)C ZINC000342110722 457113360 /nfs/dbraw/zinc/11/33/60/457113360.db2.gz KFXRSKGPFGAGFE-LBPRGKRZSA-N 1 0 339.461 3.165 20 5 EGBDRO C[NH+](C)CCc1ccccc1NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000354190121 457120232 /nfs/dbraw/zinc/12/02/32/457120232.db2.gz NKOSAEZQCHDDCT-UHFFFAOYSA-N 1 0 331.347 3.090 20 5 EGBDRO Cc1c(NC(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000331419283 457181835 /nfs/dbraw/zinc/18/18/35/457181835.db2.gz QDECWVYBXLARAU-RHSMWYFYSA-N 1 0 346.431 3.289 20 5 EGBDRO Cc1c(C[NH2+][C@@H](C)CC(=O)N2CCCCCC2)cccc1[N+](=O)[O-] ZINC000331526635 457201396 /nfs/dbraw/zinc/20/13/96/457201396.db2.gz OIJXAGKEBYSSAJ-AWEZNQCLSA-N 1 0 333.432 3.174 20 5 EGBDRO Cc1c(NC(=O)CC[N@@H+]2CC[C@@H](CC3CC3)C2)cccc1[N+](=O)[O-] ZINC000339685509 457211682 /nfs/dbraw/zinc/21/16/82/457211682.db2.gz CUHICCRIIOCYJX-HNNXBMFYSA-N 1 0 331.416 3.354 20 5 EGBDRO CC[N@H+](Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1)[C@H](C)CO ZINC000354434206 457220181 /nfs/dbraw/zinc/22/01/81/457220181.db2.gz PJLYITXEPNWIOH-GFCCVEGCSA-N 1 0 334.372 3.066 20 5 EGBDRO CCC(C)(C)CC[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000339743178 457244816 /nfs/dbraw/zinc/24/48/16/457244816.db2.gz RHTFHKFDAGVPSV-UHFFFAOYSA-N 1 0 333.432 3.179 20 5 EGBDRO Cc1ccc(C(=O)N[C@@H](C)C[N@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000342374150 457264869 /nfs/dbraw/zinc/26/48/69/457264869.db2.gz AQSDJJICEIIUEJ-HNNXBMFYSA-N 1 0 341.411 3.154 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@H](CO)CC(F)(F)F)o1 ZINC000339789678 457271953 /nfs/dbraw/zinc/27/19/53/457271953.db2.gz YWJVLRWYAOABPI-JTQLQIEISA-N 1 0 344.289 3.258 20 5 EGBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000347259983 457317758 /nfs/dbraw/zinc/31/77/58/457317758.db2.gz XTBFQKZOYLRCGW-OCCSQVGLSA-N 1 0 345.424 3.222 20 5 EGBDRO CC(C)c1ccc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000332247986 457335911 /nfs/dbraw/zinc/33/59/11/457335911.db2.gz BDXCTCFKSAWEQS-JKSUJKDBSA-N 1 0 331.416 3.075 20 5 EGBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cnn(-c2ccccc2)c1 ZINC000352544344 457454336 /nfs/dbraw/zinc/45/43/36/457454336.db2.gz QJDZXDVWMPDDSE-UHFFFAOYSA-N 1 0 336.395 3.455 20 5 EGBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000360961389 457469209 /nfs/dbraw/zinc/46/92/09/457469209.db2.gz QCJGQJJNBPWRDJ-XJKSGUPXSA-N 1 0 343.431 3.367 20 5 EGBDRO O=[N+]([O-])c1cnc(S[C@H]2CCC[N@H+](Cc3ccccc3)C2)nc1 ZINC000425287243 457482144 /nfs/dbraw/zinc/48/21/44/457482144.db2.gz VSTROMUEQJYWOY-HNNXBMFYSA-N 1 0 330.413 3.142 20 5 EGBDRO CC(C)C[N@@H+]1Cc2cccc(NC(=O)c3cc([N+](=O)[O-])c[nH]3)c2C1 ZINC000352643055 457498896 /nfs/dbraw/zinc/49/88/96/457498896.db2.gz DPNRIFXVPGDYTB-UHFFFAOYSA-N 1 0 328.372 3.147 20 5 EGBDRO O=[N+]([O-])c1ccn(C2CC[NH+](CCCCC3CCOCC3)CC2)n1 ZINC000374170875 457508126 /nfs/dbraw/zinc/50/81/26/457508126.db2.gz BFQSAQWNHKWEGC-UHFFFAOYSA-N 1 0 336.436 3.025 20 5 EGBDRO Cn1ccnc1[C@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000342803382 457535449 /nfs/dbraw/zinc/53/54/49/457535449.db2.gz XWNXRSULFNYDBN-QGZVFWFLSA-N 1 0 328.416 3.392 20 5 EGBDRO CC[N@@H+](Cc1ccc(Br)cc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000425403661 457536754 /nfs/dbraw/zinc/53/67/54/457536754.db2.gz UWAKNRBTZKNJFI-CYBMUJFWSA-N 1 0 343.221 3.358 20 5 EGBDRO CC[C@@H]1CC[C@@H](C)[N@@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000357554858 457594110 /nfs/dbraw/zinc/59/41/10/457594110.db2.gz SUNYATUXUISUHB-CHWSQXEVSA-N 1 0 333.388 3.156 20 5 EGBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000361165488 457625165 /nfs/dbraw/zinc/62/51/65/457625165.db2.gz JNPBQVAHZIKGKI-STQMWFEESA-N 1 0 346.456 3.243 20 5 EGBDRO CCC[C@H]([NH2+]CCCN1CCCCC1=O)c1cccc([N+](=O)[O-])c1 ZINC000361215706 457649649 /nfs/dbraw/zinc/64/96/49/457649649.db2.gz JQBJQJHDSWZXAW-KRWDZBQOSA-N 1 0 333.432 3.428 20 5 EGBDRO O=C(Cc1ccccc1[N+](=O)[O-])NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000370622977 457684878 /nfs/dbraw/zinc/68/48/78/457684878.db2.gz SZQLSFGYYUBOAZ-KRWDZBQOSA-N 1 0 345.443 3.051 20 5 EGBDRO CCC[N@H+](CC)C[C@H](C)Nc1ncc(Br)cc1[N+](=O)[O-] ZINC000357812170 457698883 /nfs/dbraw/zinc/69/88/83/457698883.db2.gz RFPOKRJUZNCRKH-JTQLQIEISA-N 1 0 345.241 3.285 20 5 EGBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000357821210 457702006 /nfs/dbraw/zinc/70/20/06/457702006.db2.gz VNQFVQFOXFJSIV-KGLIPLIRSA-N 1 0 336.436 3.075 20 5 EGBDRO CCOc1ccc(NC(=O)C[N@H+](CC)CC2CCC2)c([N+](=O)[O-])c1 ZINC000361482221 457745217 /nfs/dbraw/zinc/74/52/17/457745217.db2.gz VYGPRJSAMTXGGT-UHFFFAOYSA-N 1 0 335.404 3.054 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](O)C12CCCC2 ZINC000433295604 457801636 /nfs/dbraw/zinc/80/16/36/457801636.db2.gz FBZOJIFYKZXTMO-KRWDZBQOSA-N 1 0 334.416 3.261 20 5 EGBDRO CCC1(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCOCC1 ZINC000426304210 457802334 /nfs/dbraw/zinc/80/23/34/457802334.db2.gz QMUYGMCWMANSDX-CABCVRRESA-N 1 0 336.436 3.071 20 5 EGBDRO CCSCC[C@H](C)[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411385251 457871926 /nfs/dbraw/zinc/87/19/26/457871926.db2.gz JIFWMUAAJCALFJ-ZDUSSCGKSA-N 1 0 339.461 3.387 20 5 EGBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000358322051 457932498 /nfs/dbraw/zinc/93/24/98/457932498.db2.gz QOZVIUNDQXKXPR-NSHDSACASA-N 1 0 327.812 3.098 20 5 EGBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000358344498 457948563 /nfs/dbraw/zinc/94/85/63/457948563.db2.gz VRRJTKKNBFEMBS-STQMWFEESA-N 1 0 339.411 3.074 20 5 EGBDRO CCCC[C@H](C)[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000411741344 457967743 /nfs/dbraw/zinc/96/77/43/457967743.db2.gz DVGCQHOAEGXNBO-ZDUSSCGKSA-N 1 0 337.420 3.443 20 5 EGBDRO CCOc1cc(C[N@@H+]2C[C@H](O)C[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000411916085 458009480 /nfs/dbraw/zinc/00/94/80/458009480.db2.gz ANJLNPXPRRRLPN-AEFFLSMTSA-N 1 0 342.395 3.301 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000445179663 458023424 /nfs/dbraw/zinc/02/34/24/458023424.db2.gz BEXYNHFWYSWLSB-CQSZACIVSA-N 1 0 333.432 3.145 20 5 EGBDRO C[C@]1(CCc2ccccc2)CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000434905882 458063853 /nfs/dbraw/zinc/06/38/53/458063853.db2.gz UJBLQAOLZQAHEP-SFHVURJKSA-N 1 0 328.416 3.136 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@@H](N2CCCC2=O)CC1 ZINC000412054414 458070786 /nfs/dbraw/zinc/07/07/86/458070786.db2.gz IIECMCJKCBBNCE-JKSUJKDBSA-N 1 0 345.443 3.441 20 5 EGBDRO CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])C1(C)C ZINC000412080519 458082998 /nfs/dbraw/zinc/08/29/98/458082998.db2.gz RCWJKEOUXXUPTH-LSDHHAIUSA-N 1 0 349.431 3.105 20 5 EGBDRO C[NH2+]C[C@@H]1CCCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000435398073 458137882 /nfs/dbraw/zinc/13/78/82/458137882.db2.gz MRBDYPPEDHYHQY-ZDUSSCGKSA-N 1 0 346.456 3.150 20 5 EGBDRO CN(Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CCC[NH2+]CC1 ZINC000435431637 458144567 /nfs/dbraw/zinc/14/45/67/458144567.db2.gz JQZIESXOYAEHPI-OAHLLOKOSA-N 1 0 346.456 3.292 20 5 EGBDRO C[N@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@H]1CCC[NH2+]CC1 ZINC000435435459 458145699 /nfs/dbraw/zinc/14/56/99/458145699.db2.gz BJNRRUDDNAMYOJ-HNNXBMFYSA-N 1 0 329.400 3.429 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@H](CO)CC(F)F)s1 ZINC000428645988 458182648 /nfs/dbraw/zinc/18/26/48/458182648.db2.gz DQOIRPLEAJNBGS-JTQLQIEISA-N 1 0 342.367 3.429 20 5 EGBDRO Cc1nc(C(C)C)oc1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000428949155 458238259 /nfs/dbraw/zinc/23/82/59/458238259.db2.gz ACQBLCUMSRKBII-UHFFFAOYSA-N 1 0 333.392 3.048 20 5 EGBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@@H](C)C1 ZINC000429014886 458256442 /nfs/dbraw/zinc/25/64/42/458256442.db2.gz ZGWSKGZUQXOWCD-PSTGCABASA-N 1 0 339.386 3.035 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000429016479 458256980 /nfs/dbraw/zinc/25/69/80/458256980.db2.gz AEAHQWMVUIWVQN-RLFYNMQTSA-N 1 0 347.459 3.156 20 5 EGBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H](C)C1 ZINC000429024088 458259515 /nfs/dbraw/zinc/25/95/15/458259515.db2.gz WOLGTVWAPNBJEJ-IIYDPXPESA-N 1 0 337.851 3.410 20 5 EGBDRO C[C@@H]1C[C@H]1c1ccc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)o1 ZINC000369557061 458263738 /nfs/dbraw/zinc/26/37/38/458263738.db2.gz RVUYJAVRZIOHNK-IUODEOHRSA-N 1 0 330.388 3.345 20 5 EGBDRO CCC[C@]1(COC)CCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000447396884 458292577 /nfs/dbraw/zinc/29/25/77/458292577.db2.gz XLADHRXOTADEGH-QGZVFWFLSA-N 1 0 332.404 3.252 20 5 EGBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)c1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000436385459 458297528 /nfs/dbraw/zinc/29/75/28/458297528.db2.gz IENZQVQMTRTCDB-NSHDSACASA-N 1 0 346.353 3.319 20 5 EGBDRO CCOc1ccccc1C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447529327 458305181 /nfs/dbraw/zinc/30/51/81/458305181.db2.gz LQXGOZJEFGZFBM-JKSUJKDBSA-N 1 0 344.415 3.464 20 5 EGBDRO CCC1(CC)[C@H]([NH2+]CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C[C@H]1OC ZINC000429288519 458308141 /nfs/dbraw/zinc/30/81/41/458308141.db2.gz WJAWVXFSPQNOHE-HUUCEWRRSA-N 1 0 349.431 3.025 20 5 EGBDRO C[C@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[N@@H+](C2CCC2)C1 ZINC000429391683 458327721 /nfs/dbraw/zinc/32/77/21/458327721.db2.gz DLKXSBKOVYOXDS-ZDUSSCGKSA-N 1 0 344.415 3.042 20 5 EGBDRO CC(C)OC1CC([NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000459357599 458342354 /nfs/dbraw/zinc/34/23/54/458342354.db2.gz PDQCKBAHRGGPDB-UHFFFAOYSA-N 1 0 334.416 3.394 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@H]1CC[C@H](C)C1 ZINC000429565065 458347061 /nfs/dbraw/zinc/34/70/61/458347061.db2.gz RGRJUKNSSAHDSK-STQMWFEESA-N 1 0 335.404 3.052 20 5 EGBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429799803 458372826 /nfs/dbraw/zinc/37/28/26/458372826.db2.gz GPZWAYOIVPKNMZ-GJZGRUSLSA-N 1 0 347.459 3.109 20 5 EGBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000373010699 458375129 /nfs/dbraw/zinc/37/51/29/458375129.db2.gz CYDHSMPWEUJZOB-KRWDZBQOSA-N 1 0 331.416 3.008 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](CCn3cc(Cl)cn3)C2)cc1 ZINC000459519160 458399177 /nfs/dbraw/zinc/39/91/77/458399177.db2.gz SKVLDLONWNWHFN-AWEZNQCLSA-N 1 0 334.807 3.324 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](CCO)[C@@H]1CCc2ccccc21 ZINC000430206367 458420690 /nfs/dbraw/zinc/42/06/90/458420690.db2.gz KOUWHJNUIKJDID-GOSISDBHSA-N 1 0 342.395 3.085 20 5 EGBDRO COc1ccc2c(c1)CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1OC)CC2 ZINC000430214472 458423288 /nfs/dbraw/zinc/42/32/88/458423288.db2.gz ZKDASJFDCIPHRX-UHFFFAOYSA-N 1 0 342.395 3.213 20 5 EGBDRO COC[C@@H](Cc1ccccc1)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430237909 458426526 /nfs/dbraw/zinc/42/65/26/458426526.db2.gz KCAQFXHJEPUOBT-GOSISDBHSA-N 1 0 344.411 3.293 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)CCCc1cccnc1 ZINC000459641556 458432949 /nfs/dbraw/zinc/43/29/49/458432949.db2.gz RFAPZIMQXMRRMC-CQSZACIVSA-N 1 0 329.400 3.499 20 5 EGBDRO O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)c1csc([N+](=O)[O-])c1 ZINC000437839097 458500936 /nfs/dbraw/zinc/50/09/36/458500936.db2.gz UTDKBIOJKVWBLA-CQSZACIVSA-N 1 0 337.445 3.183 20 5 EGBDRO C[C@@H]1C[C@H](c2cccnc2)[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000373582946 458541345 /nfs/dbraw/zinc/54/13/45/458541345.db2.gz LVYDKMXKUGJKGS-XWIAVFTESA-N 1 0 327.384 3.106 20 5 EGBDRO C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000493915065 458599638 /nfs/dbraw/zinc/59/96/38/458599638.db2.gz RFRMTCXWTQRSKQ-HIFRSBDPSA-N 1 0 349.431 3.330 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000470170699 458622126 /nfs/dbraw/zinc/62/21/26/458622126.db2.gz ZFIGHXAIUJNREK-XXHWWPLSSA-N 1 0 329.444 3.414 20 5 EGBDRO COc1cc2c(cc1C[NH2+]C(C)(C)c1ccc([N+](=O)[O-])cc1)OCO2 ZINC000546582779 458639972 /nfs/dbraw/zinc/63/99/72/458639972.db2.gz WYJQSQXGFAHGBA-UHFFFAOYSA-N 1 0 344.367 3.357 20 5 EGBDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000502448030 458649974 /nfs/dbraw/zinc/64/99/74/458649974.db2.gz VQRDCHVRTNXBGE-INIZCTEOSA-N 1 0 333.432 3.288 20 5 EGBDRO C[C@@H]1C[N@H+](CCCNc2c(Cl)cccc2[N+](=O)[O-])CCCO1 ZINC000432141825 458688904 /nfs/dbraw/zinc/68/89/04/458688904.db2.gz XLJJCSJZUQHTHV-GFCCVEGCSA-N 1 0 327.812 3.161 20 5 EGBDRO CC(C)c1ccc(C(=O)N[C@@H]2CCC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000439728726 458746003 /nfs/dbraw/zinc/74/60/03/458746003.db2.gz HYSQDWXLVJOYTI-OAHLLOKOSA-N 1 0 333.432 3.321 20 5 EGBDRO CCC[C@@H]1[C@@H](C)CCC[N@@H+]1CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000464742054 458766427 /nfs/dbraw/zinc/76/64/27/458766427.db2.gz WCBPZJMIRKBQKP-XJKSGUPXSA-N 1 0 349.431 3.443 20 5 EGBDRO Cc1ccc([C@H]2CCC[C@@H]2[N@H+](C)CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000472252151 458778047 /nfs/dbraw/zinc/77/80/47/458778047.db2.gz QPWJZXAQLBUKOE-MSOLQXFVSA-N 1 0 328.416 3.368 20 5 EGBDRO Cc1cc(NC(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000473768472 458842222 /nfs/dbraw/zinc/84/22/22/458842222.db2.gz KMAZAURCEDUESP-MRXNPFEDSA-N 1 0 346.431 3.289 20 5 EGBDRO COc1cc(CN2CC(C)(C)O[C@@H]3CCC[C@H]32)c([N+](=O)[O-])cc1F ZINC000440971332 458872032 /nfs/dbraw/zinc/87/20/32/458872032.db2.gz YQUYPPWJOIKXDE-UKRRQHHQSA-N 1 0 338.379 3.274 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C1CC1)C(C)(C)CO ZINC000555735800 458908154 /nfs/dbraw/zinc/90/81/54/458908154.db2.gz XDJHCENRHKSWEG-KRWDZBQOSA-N 1 0 336.432 3.269 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCC[C@@H]1CC(C)C ZINC000466662629 458911264 /nfs/dbraw/zinc/91/12/64/458911264.db2.gz ZCSAKNNTVYCMIJ-CQSZACIVSA-N 1 0 349.431 3.443 20 5 EGBDRO O=C(CC[NH2+]CCc1ccc([N+](=O)[O-])cc1)Nc1cc(F)cc(F)c1 ZINC000555900246 458917691 /nfs/dbraw/zinc/91/76/91/458917691.db2.gz LEDDQZCUKKZKHI-UHFFFAOYSA-N 1 0 349.337 3.034 20 5 EGBDRO CC(C)n1cc(C2=CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3)CC2)nn1 ZINC000556165138 458933624 /nfs/dbraw/zinc/93/36/24/458933624.db2.gz ZMXJGNDYMHUAFF-UHFFFAOYSA-N 1 0 341.415 3.447 20 5 EGBDRO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](CC(C)C)C2)c([N+](=O)[O-])c1 ZINC000467177783 458955389 /nfs/dbraw/zinc/95/53/89/458955389.db2.gz XOZOQEVHDUTHCN-ZIAGYGMSSA-N 1 0 349.431 3.298 20 5 EGBDRO CCC(C)(C)[C@H]1CCC[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000441642314 458965729 /nfs/dbraw/zinc/96/57/29/458965729.db2.gz GPSOJKNDGZIKGT-QGZVFWFLSA-N 1 0 345.443 3.385 20 5 EGBDRO COc1cc(C[NH2+][C@H]2CC[C@@H](F)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000519669765 458984327 /nfs/dbraw/zinc/98/43/27/458984327.db2.gz MDLDRFALFZDXNR-MNOVXSKESA-N 1 0 348.321 3.228 20 5 EGBDRO CCOC(=O)c1cc(NC[C@@H]2CCCC[N@@H+]2CC)ccc1[N+](=O)[O-] ZINC000467796723 458987075 /nfs/dbraw/zinc/98/70/75/458987075.db2.gz GPTSFOQGXONLPA-AWEZNQCLSA-N 1 0 335.404 3.058 20 5 EGBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](C)CC(F)(F)F ZINC000468053170 458999737 /nfs/dbraw/zinc/99/97/37/458999737.db2.gz WZTYZWSJPRQLEN-ZJUUUORDSA-N 1 0 333.310 3.242 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@H](CO)Cc1ccco1)CCC2 ZINC000520332983 459049845 /nfs/dbraw/zinc/04/98/45/459049845.db2.gz WNGOOULJFZHMQZ-ACJLOTCBSA-N 1 0 330.384 3.006 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CC[C@@](O)(C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000589950189 459056178 /nfs/dbraw/zinc/05/61/78/459056178.db2.gz YBIAQNRESIMVER-JKOKRWQUSA-N 1 0 332.322 3.400 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000577600236 459057777 /nfs/dbraw/zinc/05/77/77/459057777.db2.gz IEONVWPZMHGOGL-UHFFFAOYSA-N 1 0 345.443 3.302 20 5 EGBDRO CCC[C@H]([NH2+]C[C@@H](CO)Cc1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000532279161 459060222 /nfs/dbraw/zinc/06/02/22/459060222.db2.gz ASUWHSYZPDXKMD-KSSFIOAISA-N 1 0 332.400 3.470 20 5 EGBDRO C[C@@H](C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)C(=O)OC(C)(C)C ZINC000594515138 459072171 /nfs/dbraw/zinc/07/21/71/459072171.db2.gz QSHIHZWDQIWCSX-BBRMVZONSA-N 1 0 348.443 3.483 20 5 EGBDRO COC(=O)N1CCC(C[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000496162552 459093255 /nfs/dbraw/zinc/09/32/55/459093255.db2.gz VMSUQLLBHZUDAP-UVTDQMKNSA-N 1 0 347.415 3.066 20 5 EGBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H](O)C2CC2)ccc1Oc1ccc(F)cc1 ZINC000558054489 459129226 /nfs/dbraw/zinc/12/92/26/459129226.db2.gz KBQKNWSWVZIVHN-KRWDZBQOSA-N 1 0 346.358 3.387 20 5 EGBDRO C[C@H](CC(N)=O)[NH2+][C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000479528071 459146902 /nfs/dbraw/zinc/14/69/02/459146902.db2.gz MUJDOKUVNGNXKQ-MNOVXSKESA-N 1 0 333.413 3.238 20 5 EGBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000590568375 459151912 /nfs/dbraw/zinc/15/19/12/459151912.db2.gz DBZVYUOUFCYZOF-HIFRSBDPSA-N 1 0 326.400 3.186 20 5 EGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000521461219 459156560 /nfs/dbraw/zinc/15/65/60/459156560.db2.gz YYZUHNMSRDIPMC-AWEZNQCLSA-N 1 0 343.349 3.198 20 5 EGBDRO O=[N+]([O-])c1ccc2oc(C[NH2+][C@@H]3[C@H]4CCO[C@@H]4C34CCCC4)nc2c1 ZINC000590726624 459196220 /nfs/dbraw/zinc/19/62/20/459196220.db2.gz CYFQVIADYARXQD-JLZZUVOBSA-N 1 0 343.383 3.173 20 5 EGBDRO C[C@@H](O)[C@](C)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1F)Cc1ccccc1 ZINC000480465492 459199381 /nfs/dbraw/zinc/19/93/81/459199381.db2.gz DVUKFJUFGLDOKZ-KUHUBIRLSA-N 1 0 346.402 3.453 20 5 EGBDRO C[C@H](c1ccccc1)[C@@H](O)C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000595000548 459209616 /nfs/dbraw/zinc/20/96/16/459209616.db2.gz LGEVCNNATQTRHN-AOHPILMKSA-N 1 0 326.396 3.362 20 5 EGBDRO COc1ccc(OCC[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000595003845 459211944 /nfs/dbraw/zinc/21/19/44/459211944.db2.gz LGSZDUYZCGNVBH-CYBMUJFWSA-N 1 0 346.383 3.342 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000595009699 459214559 /nfs/dbraw/zinc/21/45/59/459214559.db2.gz CXNOUDRERYLRBS-CABCVRRESA-N 1 0 335.448 3.374 20 5 EGBDRO CC[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000533299521 459217317 /nfs/dbraw/zinc/21/73/17/459217317.db2.gz FTKHVDJALQXUJZ-ZIAGYGMSSA-N 1 0 349.431 3.443 20 5 EGBDRO CC[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000533299520 459217845 /nfs/dbraw/zinc/21/78/45/459217845.db2.gz FTKHVDJALQXUJZ-UONOGXRCSA-N 1 0 349.431 3.443 20 5 EGBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCCn3nccc32)cc(C(F)(F)F)c1 ZINC000595039271 459226103 /nfs/dbraw/zinc/22/61/03/459226103.db2.gz FMACMWVJLCJETD-CYBMUJFWSA-N 1 0 340.305 3.435 20 5 EGBDRO CC[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1ccc2c(c1)OCO2 ZINC000522268282 459233325 /nfs/dbraw/zinc/23/33/25/459233325.db2.gz UYEQVPJOEPCFOS-UHFFFAOYSA-N 1 0 328.368 3.388 20 5 EGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]Cc1cccnc1N1CCCC1 ZINC000595072314 459237135 /nfs/dbraw/zinc/23/71/35/459237135.db2.gz RIKNSBIOKZSAFB-QGZVFWFLSA-N 1 0 338.411 3.367 20 5 EGBDRO CO[C@@H](C[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000595093379 459243366 /nfs/dbraw/zinc/24/33/66/459243366.db2.gz APAVRJFOSHDYRA-GUYCJALGSA-N 1 0 349.431 3.107 20 5 EGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1CCN1Cc1ccccc1 ZINC000595101951 459246120 /nfs/dbraw/zinc/24/61/20/459246120.db2.gz GORANYVXWGOEHU-LPHOPBHVSA-N 1 0 337.423 3.446 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@@H]1CCCC[C@H]1O ZINC000481386296 459250062 /nfs/dbraw/zinc/25/00/62/459250062.db2.gz YORBIISUKKPBEY-WMLDXEAASA-N 1 0 336.432 3.365 20 5 EGBDRO Cc1cc(NC(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)ccc1[N+](=O)[O-] ZINC000595231274 459259726 /nfs/dbraw/zinc/25/97/26/459259726.db2.gz ORDFHSJIWRUYHQ-OAHLLOKOSA-N 1 0 346.431 3.147 20 5 EGBDRO COc1ccc(C[NH2+][C@@H]2CCC[C@@H](c3ccnn3C)C2)cc1[N+](=O)[O-] ZINC000568353909 459273232 /nfs/dbraw/zinc/27/32/32/459273232.db2.gz DRIXDQFIRIXQGT-HUUCEWRRSA-N 1 0 344.415 3.153 20 5 EGBDRO C[C@H](C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000581989531 459288000 /nfs/dbraw/zinc/28/80/00/459288000.db2.gz RXNSLRTWIMDYGT-RBSFLKMASA-N 1 0 345.443 3.347 20 5 EGBDRO C[C@@H]1CCCC[C@@H]1OCC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000581990540 459288153 /nfs/dbraw/zinc/28/81/53/459288153.db2.gz RSXMHZSACSLXHT-PBHICJAKSA-N 1 0 349.431 3.108 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+]C(C(C)C)C(C)C ZINC000591025232 459296498 /nfs/dbraw/zinc/29/64/98/459296498.db2.gz BQZCRNADEMFJRC-UHFFFAOYSA-N 1 0 337.420 3.202 20 5 EGBDRO C[C@@H](NCc1ccc(F)cc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000595431301 459299132 /nfs/dbraw/zinc/29/91/32/459299132.db2.gz ONMCMNBFDBXBRD-UKRRQHHQSA-N 1 0 335.423 3.477 20 5 EGBDRO Cc1noc(CN[C@@H](C[N@H+](C)Cc2ccccc2)C(C)C)c1[N+](=O)[O-] ZINC000595439680 459301899 /nfs/dbraw/zinc/30/18/99/459301899.db2.gz JZVGUHUHKWTXAU-INIZCTEOSA-N 1 0 346.431 3.137 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CC[C@@H](C4CCC4)C3)n2)c1 ZINC000591061877 459302802 /nfs/dbraw/zinc/30/28/02/459302802.db2.gz MBZSAAPLBCDGDC-CQSZACIVSA-N 1 0 328.372 3.267 20 5 EGBDRO CCN1CCCC[C@@H]1C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000482899778 459329407 /nfs/dbraw/zinc/32/94/07/459329407.db2.gz KPYUGPHPYXQEIO-QZTJIDSGSA-N 1 0 331.460 3.380 20 5 EGBDRO CCN1CCCC[C@@H]1C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000482899777 459330436 /nfs/dbraw/zinc/33/04/36/459330436.db2.gz KPYUGPHPYXQEIO-MSOLQXFVSA-N 1 0 331.460 3.380 20 5 EGBDRO CC(C)(C)c1ccc(NC(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)cc1[N+](=O)[O-] ZINC000591306219 459350826 /nfs/dbraw/zinc/35/08/26/459350826.db2.gz PFIFYAVMDYSVFQ-DOMZBBRYSA-N 1 0 346.431 3.108 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCC(=O)N[C@H]1C(C)(C)C ZINC000560558130 459373746 /nfs/dbraw/zinc/37/37/46/459373746.db2.gz ODEZUSUPHJTCGS-SRCQZFHVSA-N 1 0 333.432 3.247 20 5 EGBDRO C[C@@H](C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000582652424 459402916 /nfs/dbraw/zinc/40/29/16/459402916.db2.gz SMMXXDVUNFHZHH-KFWWJZLASA-N 1 0 345.443 3.347 20 5 EGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]Cc1ccnc(OC(F)F)c1 ZINC000582676506 459408655 /nfs/dbraw/zinc/40/86/55/459408655.db2.gz HXZYXRGVMFFEQA-CYBMUJFWSA-N 1 0 335.310 3.368 20 5 EGBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)c1 ZINC000595787689 459441472 /nfs/dbraw/zinc/44/14/72/459441472.db2.gz GIWOLXGFTVMZRS-CRAIPNDOSA-N 1 0 334.416 3.255 20 5 EGBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@H]([C@H]3CCCCO3)C2)cc1 ZINC000595790981 459442624 /nfs/dbraw/zinc/44/26/24/459442624.db2.gz RTTXBXJHAVVKDT-MAUKXSAKSA-N 1 0 334.416 3.255 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000595792322 459443672 /nfs/dbraw/zinc/44/36/72/459443672.db2.gz ZNKFZYKCJNCVJK-KBXCAEBGSA-N 1 0 334.416 3.385 20 5 EGBDRO C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC[N@@H+]1C ZINC000485399424 459452231 /nfs/dbraw/zinc/45/22/31/459452231.db2.gz PGCPFWZTDPGBEW-DOMZBBRYSA-N 1 0 344.390 3.112 20 5 EGBDRO C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC[N@@H+]1C ZINC000485399425 459452740 /nfs/dbraw/zinc/45/27/40/459452740.db2.gz PGCPFWZTDPGBEW-IUODEOHRSA-N 1 0 344.390 3.112 20 5 EGBDRO C[C@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])[C@@H](O)Cc1ccccc1 ZINC000583034517 459471956 /nfs/dbraw/zinc/47/19/56/459471956.db2.gz MQSMULKTRCQOCD-IXDGSTSKSA-N 1 0 326.396 3.164 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000596060014 459504826 /nfs/dbraw/zinc/50/48/26/459504826.db2.gz XQKFCMQRDFVAGG-INIZCTEOSA-N 1 0 347.459 3.205 20 5 EGBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000569778405 459506442 /nfs/dbraw/zinc/50/64/42/459506442.db2.gz UMXQWUSVQVGXPR-DZKIICNBSA-N 1 0 333.432 3.030 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CO)c2ccc(C(F)(F)F)cc2)cc1 ZINC000541949476 459513480 /nfs/dbraw/zinc/51/34/80/459513480.db2.gz RLMWLGSEFCIVJK-HNNXBMFYSA-N 1 0 340.301 3.437 20 5 EGBDRO O=[N+]([O-])c1ccc(NC[C@H]2CC[N@@H+](C3CC3)C2)cc1OC(F)F ZINC000562281561 459528922 /nfs/dbraw/zinc/52/89/22/459528922.db2.gz CPEVKCNROSROCB-SNVBAGLBSA-N 1 0 327.331 3.092 20 5 EGBDRO Cc1cc(NC2CC[NH+](CCOC(C)C)CC2)c([N+](=O)[O-])s1 ZINC000596148540 459537466 /nfs/dbraw/zinc/53/74/66/459537466.db2.gz HZLKVKQZHPZLGB-UHFFFAOYSA-N 1 0 327.450 3.266 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCOC2(CCOCC2)CC1 ZINC000526061839 459541629 /nfs/dbraw/zinc/54/16/29/459541629.db2.gz BWFGEBCYSHUFOY-DTQAZKPQSA-N 1 0 346.427 3.270 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC2(C[C@H]1C)CCOCC2 ZINC000592181058 459544808 /nfs/dbraw/zinc/54/48/08/459544808.db2.gz BCYUUVMKBXBTRC-CQSZACIVSA-N 1 0 334.416 3.385 20 5 EGBDRO O=c1[nH]ccc(Nc2cccc(CC[NH+]3CCCC3)c2)c1[N+](=O)[O-] ZINC000596183277 459551801 /nfs/dbraw/zinc/55/18/01/459551801.db2.gz XCMSXAKJXNLCAV-UHFFFAOYSA-N 1 0 328.372 3.077 20 5 EGBDRO CCCN(C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)[C@@H]1CC[N@H+](C)C1 ZINC000592234189 459557067 /nfs/dbraw/zinc/55/70/67/459557067.db2.gz GLYXJQZDUPOZSF-CQSZACIVSA-N 1 0 334.420 3.160 20 5 EGBDRO CC[C@@H](C)[NH2+][C@@H](CNc1c(Cl)cncc1[N+](=O)[O-])c1ccco1 ZINC000596231277 459568338 /nfs/dbraw/zinc/56/83/38/459568338.db2.gz PCUZGRILFKVRSW-PWSUYJOCSA-N 1 0 338.795 3.199 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CCC([NH2+]Cc2ccccc2)CC1 ZINC000596252256 459574944 /nfs/dbraw/zinc/57/49/44/459574944.db2.gz IBKGJGUBTMYHKR-UHFFFAOYSA-N 1 0 346.818 3.402 20 5 EGBDRO Cc1ccc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1 ZINC000583651377 459575195 /nfs/dbraw/zinc/57/51/95/459575195.db2.gz LZDBFVDJQDEOEG-UHFFFAOYSA-N 1 0 326.400 3.057 20 5 EGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1-c1nc([C@@H]2CCC[NH2+]2)no1 ZINC000592356727 459578496 /nfs/dbraw/zinc/57/84/96/459578496.db2.gz GUNUDWLNZHQHAV-VIFPVBQESA-N 1 0 328.250 3.088 20 5 EGBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(-c2nc([C@H]3CCC[NH2+]3)no2)c1 ZINC000592356304 459578644 /nfs/dbraw/zinc/57/86/44/459578644.db2.gz KWPBHJSDRMRNCB-SNVBAGLBSA-N 1 0 328.250 3.088 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000527054883 459584044 /nfs/dbraw/zinc/58/40/44/459584044.db2.gz PMTFHVKIACWOJP-KCPLEYNQSA-N 1 0 340.427 3.296 20 5 EGBDRO CC(C)[N@@H+]1CCCC[C@@H]1Cn1ccc2ccc([N+](=O)[O-])cc2c1=O ZINC000596299751 459588959 /nfs/dbraw/zinc/58/89/59/459588959.db2.gz NTBVNBKGMNEPLJ-MRXNPFEDSA-N 1 0 329.400 3.173 20 5 EGBDRO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C12CCC2 ZINC000583805263 459599131 /nfs/dbraw/zinc/59/91/31/459599131.db2.gz HDTQBQDQBDKJFI-XUWVNRHRSA-N 1 0 348.447 3.212 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1ccc(CN2CC[C@@H]3CC[NH2+][C@H]3C2)o1 ZINC000592432376 459600264 /nfs/dbraw/zinc/60/02/64/459600264.db2.gz GKPMIMKUOOHATJ-BBRMVZONSA-N 1 0 327.384 3.039 20 5 EGBDRO Cc1cccc(C[C@@H](CO)[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000527214749 459609288 /nfs/dbraw/zinc/60/92/88/459609288.db2.gz XVFBWEMVDYQWNB-RDJZCZTQSA-N 1 0 328.412 3.466 20 5 EGBDRO O=[N+]([O-])c1ccccc1NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000596439361 459636340 /nfs/dbraw/zinc/63/63/40/459636340.db2.gz AVUIZQLNILWBKW-UHFFFAOYSA-N 1 0 326.400 3.314 20 5 EGBDRO O=[N+]([O-])c1cc2c(ncnc2NCC2CC[NH+](CC3CC3)CC2)s1 ZINC000596561479 459677420 /nfs/dbraw/zinc/67/74/20/459677420.db2.gz DDFUDCZVYSHDEB-UHFFFAOYSA-N 1 0 347.444 3.133 20 5 EGBDRO O=C(CC[NH2+][C@@H]1CC[C@@H]2CCC[C@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000574271459 459799739 /nfs/dbraw/zinc/79/97/39/459799739.db2.gz UVPFCNPPFRGGOG-SOUVJXGZSA-N 1 0 331.416 3.482 20 5 EGBDRO Cc1cc(NC(=O)NCCC[NH2+]C2CCCCC2)ccc1[N+](=O)[O-] ZINC000545329650 459826318 /nfs/dbraw/zinc/82/63/18/459826318.db2.gz DBNCRMIMUNUHAU-UHFFFAOYSA-N 1 0 334.420 3.337 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1ccc(CN2CC[C@@H]3C[NH2+]C[C@H]3C2)s1 ZINC000574638090 459846043 /nfs/dbraw/zinc/84/60/43/459846043.db2.gz KVERDKRFHFOTIK-KGLIPLIRSA-N 1 0 343.452 3.365 20 5 EGBDRO COc1ccc(COCC[N@H+](C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000586773403 459869108 /nfs/dbraw/zinc/86/91/08/459869108.db2.gz QTJIQZPKPYQPLL-UHFFFAOYSA-N 1 0 344.411 3.295 20 5 EGBDRO COc1cc(C[N@H+](C)[C@H](C)C2CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000602320183 459893752 /nfs/dbraw/zinc/89/37/52/459893752.db2.gz NGAUCDCXZUCITA-SECBINFHSA-N 1 0 330.331 3.435 20 5 EGBDRO C[NH+](C)CC1(CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000546079027 459895353 /nfs/dbraw/zinc/89/53/53/459895353.db2.gz QSFMZYILTGWCDZ-UHFFFAOYSA-N 1 0 347.459 3.111 20 5 EGBDRO CC[N@@H+]1CC[C@@H](N(C)c2ccc([N+](=O)[O-])c(OC(C)C)n2)C[C@@H]1C ZINC000574926367 459895609 /nfs/dbraw/zinc/89/56/09/459895609.db2.gz AQGGFBZAISBWPL-UONOGXRCSA-N 1 0 336.436 3.086 20 5 EGBDRO C[NH+](C)CCOc1ccc(CCNc2ccc([N+](=O)[O-])s2)cc1 ZINC000609150079 459913955 /nfs/dbraw/zinc/91/39/55/459913955.db2.gz IZJPQWGTFHATGH-UHFFFAOYSA-N 1 0 335.429 3.251 20 5 EGBDRO C[C@@H](O)C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000609194311 459921860 /nfs/dbraw/zinc/92/18/60/459921860.db2.gz PTDIIYFWMRZAPZ-OAHLLOKOSA-N 1 0 336.432 3.379 20 5 EGBDRO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)[C@@H]1C ZINC000609451131 459964734 /nfs/dbraw/zinc/96/47/34/459964734.db2.gz NBGVKMXDVBIUMK-UTJXIGIESA-N 1 0 331.416 3.114 20 5 EGBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000609530300 459975765 /nfs/dbraw/zinc/97/57/65/459975765.db2.gz BNCLNBKGEFUNKF-HNNXBMFYSA-N 1 0 347.459 3.497 20 5 EGBDRO COc1cc(CCC[NH2+]Cc2cccc([N+](=O)[O-])c2)cc(OC)c1O ZINC000598650971 459977647 /nfs/dbraw/zinc/97/76/47/459977647.db2.gz YMDMINANEPTFOS-UHFFFAOYSA-N 1 0 346.383 3.040 20 5 EGBDRO C[NH+](C)[C@@H](CNCc1nc2cc([N+](=O)[O-])ccc2o1)C1CCCCC1 ZINC000602515451 459978713 /nfs/dbraw/zinc/97/87/13/459978713.db2.gz VOSYIZYGQVLVRW-INIZCTEOSA-N 1 0 346.431 3.336 20 5 EGBDRO CCCNC(=O)c1cccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000602517128 459980486 /nfs/dbraw/zinc/98/04/86/459980486.db2.gz VNUNUGZZNVTNLZ-UHFFFAOYSA-N 1 0 341.411 3.067 20 5 EGBDRO CCc1nc(CC[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)cs1 ZINC000602530182 459985789 /nfs/dbraw/zinc/98/57/89/459985789.db2.gz RIKGSMMXWAPMIM-UHFFFAOYSA-N 1 0 332.385 3.087 20 5 EGBDRO C[C@H](C[C@@H]1CCOC1)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602566595 459999676 /nfs/dbraw/zinc/99/96/76/459999676.db2.gz FAXVYJQUDDBGCP-BDAKNGLRSA-N 1 0 349.250 3.324 20 5 EGBDRO Cc1cnc([C@H](C)[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)s1 ZINC000602573777 460004235 /nfs/dbraw/zinc/00/42/35/460004235.db2.gz UISWPERECWPTGZ-LBPRGKRZSA-N 1 0 347.444 3.074 20 5 EGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]CC1(CO)CCCC1 ZINC000602620664 460026719 /nfs/dbraw/zinc/02/67/19/460026719.db2.gz ZTMAIRXEAAWITB-UHFFFAOYSA-N 1 0 332.322 3.256 20 5 EGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+][C@@H]1CCC[C@@H]1CCO ZINC000602625941 460029639 /nfs/dbraw/zinc/02/96/39/460029639.db2.gz VSWLNSNGJXQWPB-ZWNOBZJWSA-N 1 0 332.322 3.254 20 5 EGBDRO Cc1cccc(CCC[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)n1 ZINC000602648488 460041529 /nfs/dbraw/zinc/04/15/29/460041529.db2.gz AXJKOUNOTIGUJB-UHFFFAOYSA-N 1 0 326.356 3.162 20 5 EGBDRO C[C@@H]1CCC[C@@H](C)C1[NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000589162433 460042316 /nfs/dbraw/zinc/04/23/16/460042316.db2.gz VCCBRQLWCWJTTH-XJKCOSOUSA-N 1 0 331.416 3.114 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H]2CCN(c3ccccc3F)C2)cc1 ZINC000602676948 460059345 /nfs/dbraw/zinc/05/93/45/460059345.db2.gz NQKUBXQHOAGZDW-INIZCTEOSA-N 1 0 343.402 3.393 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C1CCN(CC(F)F)CC1)CCC2 ZINC000618570507 460065939 /nfs/dbraw/zinc/06/59/39/460065939.db2.gz MBDJCGKSUFXDGB-INIZCTEOSA-N 1 0 339.386 3.291 20 5 EGBDRO C[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@@H]1CO ZINC000602716031 460081932 /nfs/dbraw/zinc/08/19/32/460081932.db2.gz QQODYEQCEIMJOH-ZYHUDNBSSA-N 1 0 332.322 3.064 20 5 EGBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000598917051 460091901 /nfs/dbraw/zinc/09/19/01/460091901.db2.gz RVWTWUUCYRTJTA-SNVBAGLBSA-N 1 0 338.795 3.044 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](C)c1cccc(N2CCCC2)c1 ZINC000602806491 460137295 /nfs/dbraw/zinc/13/72/95/460137295.db2.gz UVFSEQSPHCCZRO-CQSZACIVSA-N 1 0 343.431 3.051 20 5 EGBDRO CC(C)(C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000594195129 460143332 /nfs/dbraw/zinc/14/33/32/460143332.db2.gz CFFCHCUMNIIJEV-SJORKVTESA-N 1 0 345.443 3.006 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)cc1[N+](=O)[O-] ZINC000599074542 460152491 /nfs/dbraw/zinc/15/24/91/460152491.db2.gz RWXPJTUFTUVLHL-PNPHSEOMSA-N 1 0 343.383 3.185 20 5 EGBDRO CN(CC[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21)CC(F)F ZINC000599095473 460158896 /nfs/dbraw/zinc/15/88/96/460158896.db2.gz VZHBULOAPWDIGU-HNNXBMFYSA-N 1 0 327.375 3.149 20 5 EGBDRO CSC1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000602922589 460186289 /nfs/dbraw/zinc/18/62/89/460186289.db2.gz KGFAVQCXHFXHHR-UHFFFAOYSA-N 1 0 337.445 3.059 20 5 EGBDRO C[C@H](C(=O)N(C)CCCC[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000603407188 460299752 /nfs/dbraw/zinc/29/97/52/460299752.db2.gz PYDQYYUYTGANCZ-INIZCTEOSA-N 1 0 347.459 3.423 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C3CCC3)CC2)nc1-c1ccccc1 ZINC000611182206 460303626 /nfs/dbraw/zinc/30/36/26/460303626.db2.gz JJNLGFCBHAWPMJ-UHFFFAOYSA-N 1 0 338.411 3.331 20 5 EGBDRO CCC(O)(CC)C[N@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000599673945 460305737 /nfs/dbraw/zinc/30/57/37/460305737.db2.gz WQOGJMPIJKTIJN-UHFFFAOYSA-N 1 0 345.237 3.340 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCC[C@@H](CCO)C3)o2)cc1 ZINC000611268910 460322695 /nfs/dbraw/zinc/32/26/95/460322695.db2.gz BYXVNTGNLRNSOM-AWEZNQCLSA-N 1 0 330.384 3.449 20 5 EGBDRO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000611285886 460329360 /nfs/dbraw/zinc/32/93/60/460329360.db2.gz JARSIZANUFEQNT-GNJLHFKMSA-N 1 0 326.400 3.487 20 5 EGBDRO O=[N+]([O-])c1ccccc1CNc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000611287939 460330473 /nfs/dbraw/zinc/33/04/73/460330473.db2.gz NZAWXCVNWNQJOW-UHFFFAOYSA-N 1 0 341.411 3.164 20 5 EGBDRO O=[N+]([O-])c1ccsc1N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000619501232 460370392 /nfs/dbraw/zinc/37/03/92/460370392.db2.gz FNXGPRLNPWMJAS-GASCZTMLSA-N 1 0 329.425 3.225 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](c2ccnc(C)n2)C1 ZINC000619531132 460376061 /nfs/dbraw/zinc/37/60/61/460376061.db2.gz QGTMFTQECKAXRD-AWEZNQCLSA-N 1 0 342.399 3.081 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1csc(N(C)C)n1 ZINC000615723949 460381537 /nfs/dbraw/zinc/38/15/37/460381537.db2.gz DOCAWZVVMKJKQR-KPKJPENVSA-N 1 0 332.429 3.310 20 5 EGBDRO Cc1ccc(C[NH2+]CCN2CCCc3ccccc32)cc1[N+](=O)[O-] ZINC000604532718 460442775 /nfs/dbraw/zinc/44/27/75/460442775.db2.gz WNHDGERRZPYXHW-UHFFFAOYSA-N 1 0 325.412 3.446 20 5 EGBDRO C[C@@H]1CN(c2ccccc2F)CCN1Cc1cccc([N+](=O)[O-])c1 ZINC000616133053 460479385 /nfs/dbraw/zinc/47/93/85/460479385.db2.gz VMDGNBIPLWKTKM-CQSZACIVSA-N 1 0 329.375 3.445 20 5 EGBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCCC12CCCCC2 ZINC000612108114 460542488 /nfs/dbraw/zinc/54/24/88/460542488.db2.gz ZGAXIMHAMUMJCM-OAHLLOKOSA-N 1 0 334.416 3.133 20 5 EGBDRO CCOc1cc(CN2CCC[N@@H+](C3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000617201592 460773774 /nfs/dbraw/zinc/77/37/74/460773774.db2.gz QBNQGFHUUYPUFX-UHFFFAOYSA-N 1 0 347.459 3.444 20 5 EGBDRO O=[N+]([O-])c1ccc(NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)s1 ZINC000617474987 460872659 /nfs/dbraw/zinc/87/26/59/460872659.db2.gz ILRQTWBTHZMATN-OAHLLOKOSA-N 1 0 347.440 3.359 20 5 EGBDRO C[C@H](CCNC(=O)c1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCCCC1 ZINC000182251963 533938573 /nfs/dbraw/zinc/93/85/73/533938573.db2.gz TYQLVAPSJDTIJV-GFCCVEGCSA-N 1 0 339.823 3.243 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000191350492 534054626 /nfs/dbraw/zinc/05/46/26/534054626.db2.gz RFQZHIBZSZCXKT-UHFFFAOYSA-N 1 0 334.420 3.206 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H]1CCN(CC(F)(F)F)C1 ZINC000163142837 518189874 /nfs/dbraw/zinc/18/98/74/518189874.db2.gz KTLHORREFFBSEQ-OLZOCXBDSA-N 1 0 345.365 3.438 20 5 EGBDRO NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000155000749 534427252 /nfs/dbraw/zinc/42/72/52/534427252.db2.gz OQXYBSJVASVZBU-CYBMUJFWSA-N 1 0 345.424 3.021 20 5 EGBDRO CC(C)(C)[NH+]1CCC(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000134646462 526285788 /nfs/dbraw/zinc/28/57/88/526285788.db2.gz YYIGXPJFNFZMNH-UHFFFAOYSA-N 1 0 339.823 3.241 20 5 EGBDRO CC(C)CCOC1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000178574650 527745675 /nfs/dbraw/zinc/74/56/75/527745675.db2.gz YQFGAVWQPVMTHY-SFHVURJKSA-N 1 0 336.432 3.155 20 5 EGBDRO CCOc1ccc([C@@H](C)[NH2+]CC[S@@](=O)C(C)(C)C)cc1[N+](=O)[O-] ZINC000153844948 528594452 /nfs/dbraw/zinc/59/44/52/528594452.db2.gz MLLQDTPSRAMLPV-SPSFWMDKSA-N 1 0 342.461 3.191 20 5 EGBDRO CCS[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000189505089 529228133 /nfs/dbraw/zinc/22/81/33/529228133.db2.gz GCZULEUNMHHQCM-HIFRSBDPSA-N 1 0 337.445 3.187 20 5 EGBDRO CC(C)(CC[NH+]1CCCCCC1)NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000187668179 535026882 /nfs/dbraw/zinc/02/68/82/535026882.db2.gz WNVRQKUHNSPJKA-UHFFFAOYSA-N 1 0 349.435 3.156 20 5 EGBDRO CC1(C)CC(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC(C)(C)[NH2+]1 ZINC000342980683 535287589 /nfs/dbraw/zinc/28/75/89/535287589.db2.gz YAADMLZNUNJMMO-UHFFFAOYSA-N 1 0 344.415 3.115 20 5 EGBDRO CC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)[C@@H](O)c1c(F)cccc1F ZINC000266274039 535920731 /nfs/dbraw/zinc/92/07/31/535920731.db2.gz CPIBKNIJZMBNCA-DOTOQJQBSA-N 1 0 336.338 3.475 20 5 EGBDRO COCC[C@@H]([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C(C)(C)C ZINC000338370311 536805899 /nfs/dbraw/zinc/80/58/99/536805899.db2.gz DKAJGISKKCHHTL-CQSZACIVSA-N 1 0 348.403 3.186 20 5 EGBDRO CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000104073919 546694379 /nfs/dbraw/zinc/69/43/79/546694379.db2.gz FMCAAYWDDSNNJR-HUUCEWRRSA-N 1 0 333.432 3.388 20 5 EGBDRO CC[C@H]1C[N@H+](Cc2c([N+](=O)[O-])ncn2C)CC[C@@H]1c1ccccc1 ZINC000365852207 547779386 /nfs/dbraw/zinc/77/93/86/547779386.db2.gz JUARIZFDUKEQPR-HOCLYGCPSA-N 1 0 328.416 3.344 20 5 EGBDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNc2nc3ccccn3c2[N+](=O)[O-])C1 ZINC000726787347 574571584 /nfs/dbraw/zinc/57/15/84/574571584.db2.gz OYDWGSPRCHHNOA-CYBMUJFWSA-N 1 0 331.420 3.165 20 5 EGBDRO CN(c1ccccc1)c1ccc(C[NH2+][C@H]2CCN(C)C2)cc1[N+](=O)[O-] ZINC000729682662 574878432 /nfs/dbraw/zinc/87/84/32/574878432.db2.gz YDSOGWYCFQZRCV-INIZCTEOSA-N 1 0 340.427 3.156 20 5 EGBDRO CCCC[N@H+](CCOC)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000731661243 575197412 /nfs/dbraw/zinc/19/74/12/575197412.db2.gz VDNLWIZUQXNKHB-UHFFFAOYSA-N 1 0 332.404 3.164 20 5 EGBDRO CC(C)[NH2+][C@@H]1CCCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000732414255 575267817 /nfs/dbraw/zinc/26/78/17/575267817.db2.gz GPRSDQUVZWMBRZ-GFCCVEGCSA-N 1 0 340.811 3.243 20 5 EGBDRO CCOCCC[N@@H+]1CC[C@H](NCc2ccc(C)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000734510143 575504781 /nfs/dbraw/zinc/50/47/81/575504781.db2.gz RIHCSKNHBIMFRP-WMZOPIPTSA-N 1 0 349.475 3.130 20 5 EGBDRO CC[N@H+](CCOc1cccc([N+](=O)[O-])c1)C[C@H](O)c1ccc(C)cc1 ZINC000743868456 576817861 /nfs/dbraw/zinc/81/78/61/576817861.db2.gz XSQYKAASLKYZQK-IBGZPJMESA-N 1 0 344.411 3.338 20 5 EGBDRO C[C@@H]([NH2+]C[C@H]1CN(C2CCCCC2)C(=O)O1)c1cccc([N+](=O)[O-])c1 ZINC000828147386 1292437093 /nfs/dbraw/zinc/43/70/93/1292437093.db2.gz ANRDZCDRHKXXRY-DYVFJYSZSA-N 1 0 347.415 3.399 20 5 EGBDRO C[C@]1(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)CC1(Cl)Cl ZINC000829305204 1292560198 /nfs/dbraw/zinc/56/01/98/1292560198.db2.gz HLMKWDBCPDEHET-GFCCVEGCSA-N 1 0 333.219 3.012 20 5 EGBDRO COC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Br)C(C)C ZINC000086701153 1292736617 /nfs/dbraw/zinc/73/66/17/1292736617.db2.gz LURFSNIOBCTHPW-ZDUSSCGKSA-N 1 0 331.210 3.118 20 5 EGBDRO CC(=O)OC1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000093453906 1292920810 /nfs/dbraw/zinc/92/08/10/1292920810.db2.gz BWMPOVCGUYFHSU-UHFFFAOYSA-N 1 0 344.367 3.382 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])cc1 ZINC000105448236 1293037603 /nfs/dbraw/zinc/03/76/03/1293037603.db2.gz RCNWSOJYULNPSR-HWKANZROSA-N 1 0 327.340 3.349 20 5 EGBDRO C[C@@H](C[NH2+]Cc1csc([N+](=O)[O-])c1)CN(C)C(=O)OC(C)(C)C ZINC000111408432 1293103868 /nfs/dbraw/zinc/10/38/68/1293103868.db2.gz RMGLXFOFPJXSQA-NSHDSACASA-N 1 0 343.449 3.249 20 5 EGBDRO CCC[NH+](CCC)CCCNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000112115179 1293118209 /nfs/dbraw/zinc/11/82/09/1293118209.db2.gz VGWVBVZKWONRRM-UHFFFAOYSA-N 1 0 341.839 3.490 20 5 EGBDRO CO[C@@](C)(C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccccc1 ZINC000834885491 1293163787 /nfs/dbraw/zinc/16/37/87/1293163787.db2.gz WWAANHHFPZVSEH-ACJLOTCBSA-N 1 0 329.400 3.389 20 5 EGBDRO C[C@H]([NH2+][C@H]1CCO[C@H](c2ccncc2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834891708 1293165491 /nfs/dbraw/zinc/16/54/91/1293165491.db2.gz JMJCQRYYVRPJKB-QITLCBANSA-N 1 0 342.399 3.143 20 5 EGBDRO Cc1ccc(C[C@H](CO)[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1C ZINC000834912670 1293175233 /nfs/dbraw/zinc/17/52/33/1293175233.db2.gz SXVMGZIGWFKRJV-RHSMWYFYSA-N 1 0 343.427 3.048 20 5 EGBDRO Cc1cc(COC(=O)c2cccc(C[NH+](C)C)c2)ccc1[N+](=O)[O-] ZINC000835285969 1293252621 /nfs/dbraw/zinc/25/26/21/1293252621.db2.gz HQWPTFZTIOOKOJ-UHFFFAOYSA-N 1 0 328.368 3.322 20 5 EGBDRO C[C@@H](OC(=O)CCC(C)(C)[N+](=O)[O-])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000835287243 1293252753 /nfs/dbraw/zinc/25/27/53/1293252753.db2.gz PUDSDJUPCUUIMF-NVXWUHKLSA-N 1 0 348.443 3.276 20 5 EGBDRO O=C(OCC1CC[NH+](Cc2ccco2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000120618775 1293330408 /nfs/dbraw/zinc/33/04/08/1293330408.db2.gz HOTHRWGCUSQILI-UHFFFAOYSA-N 1 0 344.367 3.257 20 5 EGBDRO CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000123203456 1293436760 /nfs/dbraw/zinc/43/67/60/1293436760.db2.gz WRBZXIGJFBHFLK-CVEARBPZSA-N 1 0 349.431 3.173 20 5 EGBDRO CCCCC[N@H+](CCO)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000126873669 1293546838 /nfs/dbraw/zinc/54/68/38/1293546838.db2.gz NVJSOJGKUWLJSI-UHFFFAOYSA-N 1 0 345.237 3.342 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@H+](CCc2cccc(F)c2)C2CC2)c1 ZINC000154287024 1294049083 /nfs/dbraw/zinc/04/90/83/1294049083.db2.gz RJNMUCBRSFFOSZ-LJQANCHMSA-N 1 0 344.386 3.474 20 5 EGBDRO Cc1c(C[N@@H+](C)[C@H](C)CNC(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC000171955030 1294424271 /nfs/dbraw/zinc/42/42/71/1294424271.db2.gz YGDSHXLNGWJVBE-GFCCVEGCSA-N 1 0 337.420 3.248 20 5 EGBDRO COc1cccc([C@@H](O)C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000178084227 1294715055 /nfs/dbraw/zinc/71/50/55/1294715055.db2.gz PYRVPUPFZYRENM-ACJLOTCBSA-N 1 0 330.384 3.296 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000194616788 1295994952 /nfs/dbraw/zinc/99/49/52/1295994952.db2.gz QNWBDPHPZKLXKI-UHFFFAOYSA-N 1 0 335.747 3.489 20 5 EGBDRO C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1Br)C1CCOCC1 ZINC000235188264 1296182915 /nfs/dbraw/zinc/18/29/15/1296182915.db2.gz NCQXCLCFLXCAPN-SNVBAGLBSA-N 1 0 343.221 3.262 20 5 EGBDRO C[C@H](O)C[C@H]1CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1Br ZINC000235551950 1296184080 /nfs/dbraw/zinc/18/40/80/1296184080.db2.gz AWQXKYBBTKXPDR-CMPLNLGQSA-N 1 0 343.221 3.093 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CCC(OC[C@@H]2CCCO2)CC1 ZINC000255881799 1296575224 /nfs/dbraw/zinc/57/52/24/1296575224.db2.gz UHXXEDAVEBEWMC-CJISVDGZSA-N 1 0 346.427 3.268 20 5 EGBDRO [NH3+][C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2Cl)C[C@H]1c1ccccc1 ZINC000261757560 1296600654 /nfs/dbraw/zinc/60/06/54/1296600654.db2.gz NUEKZPQCGXQROZ-DOTOQJQBSA-N 1 0 331.803 3.175 20 5 EGBDRO CC[C@H](C)NC(=O)CC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872029649 1296675636 /nfs/dbraw/zinc/67/56/36/1296675636.db2.gz YXEOFYKJRITPKZ-NWDGAFQWSA-N 1 0 339.461 3.272 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](C)Cc1cnccn1 ZINC000872029905 1296676394 /nfs/dbraw/zinc/67/63/94/1296676394.db2.gz VGAHRVOOTVNIGG-VXGBXAGGSA-N 1 0 332.429 3.389 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCN(CC(F)F)C1 ZINC000872079563 1296722515 /nfs/dbraw/zinc/72/25/15/1296722515.db2.gz IZOLUWZYHHVPFP-GHMZBOCLSA-N 1 0 345.415 3.307 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H](CCO)c1ccccc1 ZINC000873058867 1297252535 /nfs/dbraw/zinc/25/25/35/1297252535.db2.gz KKNSXOMWTIVBMM-KRWDZBQOSA-N 1 0 328.412 3.467 20 5 EGBDRO Cc1ccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)c(N2CCCC2)n1 ZINC000873102908 1297272760 /nfs/dbraw/zinc/27/27/60/1297272760.db2.gz VVGJVKYGPDOQJB-UHFFFAOYSA-N 1 0 340.427 3.497 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000873903175 1297721427 /nfs/dbraw/zinc/72/14/27/1297721427.db2.gz WUMWDFUAMFEQLG-UHFFFAOYSA-N 1 0 333.432 3.251 20 5 EGBDRO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000400390171 1297729917 /nfs/dbraw/zinc/72/99/17/1297729917.db2.gz ZQWDEOOCTMWQPL-HIFRSBDPSA-N 1 0 349.431 3.472 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(CN3CC[C@]4(CCC[NH2+]4)C3)o2)cc1 ZINC000415142120 1297779699 /nfs/dbraw/zinc/77/96/99/1297779699.db2.gz YGGGDEWRPYCIJH-GOSISDBHSA-N 1 0 327.384 3.183 20 5 EGBDRO O=C(c1cc2ccccc2c2cccnc12)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000424031123 1297802362 /nfs/dbraw/zinc/80/23/62/1297802362.db2.gz SCMXJMVEPFDCEU-NRFANRHFSA-N 1 0 331.419 3.356 20 5 EGBDRO CC(C)(O)[C@H]1CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1Br ZINC000707145094 1298227243 /nfs/dbraw/zinc/22/72/43/1298227243.db2.gz BWAJHZVTOOZLFV-GFCCVEGCSA-N 1 0 343.221 3.093 20 5 EGBDRO CCCC(=O)NC1CC[NH+](Cc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000876616988 1298872392 /nfs/dbraw/zinc/87/23/92/1298872392.db2.gz CQBNSRHOPJCFQQ-UHFFFAOYSA-N 1 0 333.432 3.092 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CCC(C2(C)OCCO2)CC1 ZINC000876727432 1298942104 /nfs/dbraw/zinc/94/21/04/1298942104.db2.gz KIMJDAVUEOUUEO-UHFFFAOYSA-N 1 0 334.416 3.187 20 5 EGBDRO Cc1cc(C)c(CC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000749679909 1299253806 /nfs/dbraw/zinc/25/38/06/1299253806.db2.gz XXEYHIKSFANOCG-LJQANCHMSA-N 1 0 328.412 3.386 20 5 EGBDRO CC(C)OCc1ccccc1C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000749672230 1299254337 /nfs/dbraw/zinc/25/43/37/1299254337.db2.gz QOIWWDUHZNMYCR-IBGZPJMESA-N 1 0 344.411 3.343 20 5 EGBDRO CC[N@@H+](Cc1ccccc1C)Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC000749938913 1299303962 /nfs/dbraw/zinc/30/39/62/1299303962.db2.gz MSXSFWUXVGFHCL-UHFFFAOYSA-N 1 0 339.399 3.436 20 5 EGBDRO [NH3+][C@@H](C[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)C1)C1CCCC1 ZINC000877447478 1299306771 /nfs/dbraw/zinc/30/67/71/1299306771.db2.gz DFSXEHFUXFMWDZ-KDOFPFPSSA-N 1 0 345.443 3.355 20 5 EGBDRO Cc1nn(C[N@@H+]2CCC[C@@H]2C2CCCC2)c2ncc([N+](=O)[O-])cc12 ZINC000749944994 1299307885 /nfs/dbraw/zinc/30/78/85/1299307885.db2.gz NEWUUNMMUZUMJA-MRXNPFEDSA-N 1 0 329.404 3.260 20 5 EGBDRO C[C@]1([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CCCc2ccccc21 ZINC000750096417 1299336732 /nfs/dbraw/zinc/33/67/32/1299336732.db2.gz NXWKZJRRIXKJCA-OALUTQOASA-N 1 0 326.396 3.470 20 5 EGBDRO C[C@H](C1CC1)[N@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C1CC1 ZINC000877966626 1299673277 /nfs/dbraw/zinc/67/32/77/1299673277.db2.gz QPSWPQPVYLZIGB-LLVKDONJSA-N 1 0 328.372 3.408 20 5 EGBDRO C[C@@H]([N@H+](C)CN1CCN(c2ccccc2[N+](=O)[O-])C1=O)C(C)(C)C ZINC000752786614 1299794525 /nfs/dbraw/zinc/79/45/25/1299794525.db2.gz QCBSJQWTNPKQKK-CYBMUJFWSA-N 1 0 334.420 3.161 20 5 EGBDRO C[C@@H]1C[C@@H](CC[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCO1 ZINC000753587042 1299981933 /nfs/dbraw/zinc/98/19/33/1299981933.db2.gz NOLJSFHOGFCCMU-CVEARBPZSA-N 1 0 347.459 3.358 20 5 EGBDRO CCOc1cc(C[NH2+][C@H](CCO)c2cccs2)ccc1[N+](=O)[O-] ZINC000755049184 1300272890 /nfs/dbraw/zinc/27/28/90/1300272890.db2.gz TTWLVORADSNKOM-CYBMUJFWSA-N 1 0 336.413 3.268 20 5 EGBDRO C[N@H+](Cc1ccccc1[N+](=O)[O-])CC(C)(C)NC(=O)OC(C)(C)C ZINC000761191363 1301417154 /nfs/dbraw/zinc/41/71/54/1301417154.db2.gz PBKZNQMGPKZWLP-UHFFFAOYSA-N 1 0 337.420 3.330 20 5 EGBDRO CCOC(=O)CC[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C1CC1 ZINC000761507893 1301487576 /nfs/dbraw/zinc/48/75/76/1301487576.db2.gz ZRFBDVCCZBAGQA-UHFFFAOYSA-N 1 0 326.780 3.166 20 5 EGBDRO CCO[C@H]1C[C@H]([N@H+](C)Cn2ncc3ccc([N+](=O)[O-])cc32)C12CCC2 ZINC000763236622 1301854907 /nfs/dbraw/zinc/85/49/07/1301854907.db2.gz RIDDVUKXOFNLHE-IRXDYDNUSA-N 1 0 344.415 3.182 20 5 EGBDRO CC[NH+](CC)CCCC1CCN(c2ccnc(F)c2[N+](=O)[O-])CC1 ZINC000882172901 1301859116 /nfs/dbraw/zinc/85/91/16/1301859116.db2.gz SMEJEYKOWVVTSQ-UHFFFAOYSA-N 1 0 338.427 3.467 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H](O)COc1cccc(F)c1 ZINC000765288528 1302238053 /nfs/dbraw/zinc/23/80/53/1302238053.db2.gz KAQKHGMPACIBQH-CZUORRHYSA-N 1 0 348.374 3.133 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CCC[C@@H]4OCC[C@H]43)CC2)cc1 ZINC000766597577 1302484622 /nfs/dbraw/zinc/48/46/22/1302484622.db2.gz BHJVSXSYHPMSDR-OTWHNJEPSA-N 1 0 345.443 3.111 20 5 EGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](O)c1ccco1 ZINC000768092435 1302820906 /nfs/dbraw/zinc/82/09/06/1302820906.db2.gz YBMXYQQEHOVUTD-TZMCWYRMSA-N 1 0 336.413 3.382 20 5 EGBDRO CC(C)(C)[N@@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000768710331 1302964785 /nfs/dbraw/zinc/96/47/85/1302964785.db2.gz QABNPGUHAAPURM-UHFFFAOYSA-N 1 0 339.823 3.195 20 5 EGBDRO C[N@H+](CCOC(=O)c1csc([N+](=O)[O-])c1)Cc1ccc(F)cc1 ZINC000769088138 1303044682 /nfs/dbraw/zinc/04/46/82/1303044682.db2.gz DOJBOAMGMCDLNU-UHFFFAOYSA-N 1 0 338.360 3.084 20 5 EGBDRO CC[N@H+](Cc1cccnc1[N+](=O)[O-])[C@H](C)Cc1ccc(OC)cc1 ZINC000886003557 1303314648 /nfs/dbraw/zinc/31/46/48/1303314648.db2.gz GDKMLFJZCKHWKZ-CQSZACIVSA-N 1 0 329.400 3.452 20 5 EGBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@H]1Cn1cnc2ccccc21 ZINC000886087612 1303350715 /nfs/dbraw/zinc/35/07/15/1303350715.db2.gz XKTQZNJBHMNFHO-HNNXBMFYSA-N 1 0 337.383 3.004 20 5 EGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccc2c1OCCO2 ZINC000772981601 1303601703 /nfs/dbraw/zinc/60/17/03/1303601703.db2.gz FVVKQHVDVCUQTA-AWEZNQCLSA-N 1 0 342.395 3.477 20 5 EGBDRO CC[C@H]([NH2+][C@H](CO)C[C@H](O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000773110132 1303625855 /nfs/dbraw/zinc/62/58/55/1303625855.db2.gz VPTMXMGCYBAFRI-WDSOQIARSA-N 1 0 344.411 3.120 20 5 EGBDRO C[C@H](O)c1ccc(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000774136634 1303777663 /nfs/dbraw/zinc/77/76/63/1303777663.db2.gz DPWMQQUWOSSFGY-IAOVAPTHSA-N 1 0 344.415 3.118 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@H](O)c2ccc(F)cc2Cl)cc1 ZINC000774610910 1303833705 /nfs/dbraw/zinc/83/37/05/1303833705.db2.gz HGYABMCBPRPHRD-INIZCTEOSA-N 1 0 338.766 3.253 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000775381131 1303951588 /nfs/dbraw/zinc/95/15/88/1303951588.db2.gz QSXRGMLKEVPOJB-SNPRPXQTSA-N 1 0 340.470 3.073 20 5 EGBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)NCC[C@@H](C)[NH+](C)C ZINC000888279558 1304096818 /nfs/dbraw/zinc/09/68/18/1304096818.db2.gz JNPDOHFOOCVLAG-SNVBAGLBSA-N 1 0 328.800 3.018 20 5 EGBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N(C)CC[N@H+](C)C1CC1 ZINC000888285228 1304101105 /nfs/dbraw/zinc/10/11/05/1304101105.db2.gz YKVQPSSOWDZJOO-UHFFFAOYSA-N 1 0 340.811 3.115 20 5 EGBDRO CO[C@@H]1[C@@H](C)[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1(C)C ZINC000776168659 1304106494 /nfs/dbraw/zinc/10/64/94/1304106494.db2.gz JOHAUNHFTHVTAP-MORSLUCNSA-N 1 0 347.459 3.213 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCSC3(CCCCC3)C2)cc1 ZINC000776274663 1304125596 /nfs/dbraw/zinc/12/55/96/1304125596.db2.gz BSIVJHLINODRRG-INIZCTEOSA-N 1 0 336.457 3.380 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CC[C@H](c3ccc(F)cc3)C2)cc1 ZINC000776593045 1304178145 /nfs/dbraw/zinc/17/81/45/1304178145.db2.gz UMUATWHUAACEBZ-YJBOKZPZSA-N 1 0 330.359 3.257 20 5 EGBDRO C[C@@H]1CC[C@H](C(F)(F)F)C[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000780385828 1304683811 /nfs/dbraw/zinc/68/38/11/1304683811.db2.gz SNVNQLASPRNEFD-SCDSUCTJSA-N 1 0 332.322 3.291 20 5 EGBDRO CC(C)(C)[C@@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000782530862 1304986057 /nfs/dbraw/zinc/98/60/57/1304986057.db2.gz ODPDFCHFBJLRJO-GFCCVEGCSA-N 1 0 337.395 3.431 20 5 EGBDRO CCOCOc1ccc(C[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000782952504 1305029257 /nfs/dbraw/zinc/02/92/57/1305029257.db2.gz LOTZMIMXPWAICC-UHFFFAOYSA-N 1 0 346.383 3.266 20 5 EGBDRO COC(=O)[C@H]1CC12CC[NH+](Cc1ccc([N+](=O)[O-])c(Cl)c1)CC2 ZINC000783567614 1305108373 /nfs/dbraw/zinc/10/83/73/1305108373.db2.gz UUFNXPIWXOUIHO-GFCCVEGCSA-N 1 0 338.791 3.023 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+]C2CCN(CC(F)F)CC2)cc1Cl ZINC000783608518 1305116055 /nfs/dbraw/zinc/11/60/55/1305116055.db2.gz HKTWAHKPUJYNBS-UHFFFAOYSA-N 1 0 333.766 3.067 20 5 EGBDRO C[C@@H]1C[N@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)CC(C)(C)C1 ZINC000784006161 1305174109 /nfs/dbraw/zinc/17/41/09/1305174109.db2.gz DAALJJIHXTVZIS-ZDUSSCGKSA-N 1 0 329.404 3.179 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N(C)C(C)(C)C[NH+]2CCCC2)c1C ZINC000891850583 1305187430 /nfs/dbraw/zinc/18/74/30/1305187430.db2.gz QCCIYXZSORDIJC-UHFFFAOYSA-N 1 0 333.432 3.158 20 5 EGBDRO COc1c(O)ccc(C[N@@H+]2CCCC[C@@H](SC)C2)c1[N+](=O)[O-] ZINC000892233825 1305289241 /nfs/dbraw/zinc/28/92/41/1305289241.db2.gz STXRVZLADXBAAA-GFCCVEGCSA-N 1 0 326.418 3.027 20 5 EGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000785867073 1305458526 /nfs/dbraw/zinc/45/85/26/1305458526.db2.gz OUSIGJSJVIENKA-LBPRGKRZSA-N 1 0 345.359 3.098 20 5 EGBDRO Nc1ccc(N[C@H]2CCC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000786574473 1305602208 /nfs/dbraw/zinc/60/22/08/1305602208.db2.gz CMVQUMTWVCCZKJ-INIZCTEOSA-N 1 0 326.400 3.254 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCCC[C@@H]1C1OCCO1 ZINC000787407851 1305742398 /nfs/dbraw/zinc/74/23/98/1305742398.db2.gz WCGSUVRTTNJZLF-VWILAXROSA-N 1 0 332.400 3.226 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@H](C2(C)OCCO2)C1 ZINC000787414018 1305743586 /nfs/dbraw/zinc/74/35/86/1305743586.db2.gz WLSFQOVVLGASSE-JBXOJTMHSA-N 1 0 346.427 3.473 20 5 EGBDRO C[C@@H]([NH2+]C[C@H](C1CCCCC1)N(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788540429 1305965695 /nfs/dbraw/zinc/96/56/95/1305965695.db2.gz RGGHTZIJUSWUBZ-FZKQIMNGSA-N 1 0 334.464 3.338 20 5 EGBDRO C[C@@H](NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788541159 1305967015 /nfs/dbraw/zinc/96/70/15/1305967015.db2.gz XALXFMJGTMRPLC-QLFBSQMISA-N 1 0 334.464 3.196 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2cnn(C[N@@H+]3CCC[C@H]3[C@H]3CCCO3)c2)cc1 ZINC000789507351 1306174249 /nfs/dbraw/zinc/17/42/49/1306174249.db2.gz OSNLLKZRLLICKL-ZWKOTPCHSA-N 1 0 342.399 3.059 20 5 EGBDRO COC(=O)C[C@@H]1CC[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)[C@@H]1C ZINC000793009890 1309280990 /nfs/dbraw/zinc/28/09/90/1309280990.db2.gz NLCQPFGNPOEXIE-JRPNMDOOSA-N 1 0 340.807 3.316 20 5 EGBDRO CC(C)C[N@H+](Cn1c(=O)oc2cccc([N+](=O)[O-])c21)CC(C)(C)C ZINC000794634686 1309560764 /nfs/dbraw/zinc/56/07/64/1309560764.db2.gz RVDZLTWATHYQSY-UHFFFAOYSA-N 1 0 335.404 3.464 20 5 EGBDRO Cc1nc(CC2CC[NH+](Cc3c(C)ccc([N+](=O)[O-])c3C)CC2)no1 ZINC000896549918 1309910928 /nfs/dbraw/zinc/91/09/28/1309910928.db2.gz OSLLPQJQKGWBKB-UHFFFAOYSA-N 1 0 344.415 3.358 20 5 EGBDRO Cc1c(C[N@H+]2CCCC[C@@H]2COC(=O)NC(C)C)cccc1[N+](=O)[O-] ZINC000796717170 1310073262 /nfs/dbraw/zinc/07/32/62/1310073262.db2.gz OTCSEUJFIZGVRR-MRXNPFEDSA-N 1 0 349.431 3.392 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000821881245 1320039896 /nfs/dbraw/zinc/03/98/96/1320039896.db2.gz IEWAGFULMWOCHM-CQSZACIVSA-N 1 0 333.432 3.206 20 5 EGBDRO C[NH+](C)CCOc1ccc(NCc2csc([N+](=O)[O-])c2)cc1F ZINC000839188361 1320889778 /nfs/dbraw/zinc/88/97/78/1320889778.db2.gz FOBBCOODJWQVOM-UHFFFAOYSA-N 1 0 339.392 3.348 20 5 EGBDRO CC1CC[NH+](CCCCNc2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC1 ZINC000804351719 1317222488 /nfs/dbraw/zinc/22/24/88/1317222488.db2.gz HOTFOELXCUUFEW-UHFFFAOYSA-N 1 0 336.392 3.427 20 5 EGBDRO CC(C)CN(CC[NH+](C)C)C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000900587140 1317311401 /nfs/dbraw/zinc/31/14/01/1317311401.db2.gz STSAQNFTTMNMDB-UHFFFAOYSA-N 1 0 345.802 3.047 20 5 EGBDRO CCN(C(=O)C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccccc1 ZINC000903195329 1317671532 /nfs/dbraw/zinc/67/15/32/1317671532.db2.gz RXKTYHBZOWFQMK-KRWDZBQOSA-N 1 0 339.395 3.225 20 5 EGBDRO CC(C)(C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)C1CCC1 ZINC001020438307 1317696648 /nfs/dbraw/zinc/69/66/48/1317696648.db2.gz YIICBGVUEBQLIE-WKILWMFISA-N 1 0 345.443 3.158 20 5 EGBDRO C[C@H](O)c1ncc(C[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)s1 ZINC000809624395 1317848122 /nfs/dbraw/zinc/84/81/22/1317848122.db2.gz MERQPVJDULAQMP-LBPRGKRZSA-N 1 0 335.429 3.217 20 5 EGBDRO Cc1cc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)cc2cccnc12 ZINC000809734848 1317883623 /nfs/dbraw/zinc/88/36/23/1317883623.db2.gz MCSZFMFTSVQEBM-UHFFFAOYSA-N 1 0 336.395 3.417 20 5 EGBDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000809869611 1317911779 /nfs/dbraw/zinc/91/17/79/1317911779.db2.gz YRUSBJOZJALJHX-JTQLQIEISA-N 1 0 328.800 3.098 20 5 EGBDRO C[C@@H]([NH2+][C@@H](C)C(=O)N1[C@@H](C)CCC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000905852309 1318007074 /nfs/dbraw/zinc/00/70/74/1318007074.db2.gz HSADZQDVFGWKFV-XQLPTFJDSA-N 1 0 333.432 3.423 20 5 EGBDRO Cc1cc(C[NH3+])cc(NC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC000906633701 1318131796 /nfs/dbraw/zinc/13/17/96/1318131796.db2.gz IVCYAQFTQGYVLX-IAGOWNOFSA-N 1 0 325.368 3.104 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=S)NCC(C)(C)C[NH+](C)C ZINC000811716137 1318236240 /nfs/dbraw/zinc/23/62/40/1318236240.db2.gz JQLFQUCHRNHDFF-UHFFFAOYSA-N 1 0 338.477 3.031 20 5 EGBDRO Cc1ccc(C(=O)N2CCCC[C@@H]2[C@@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000912816047 1318941286 /nfs/dbraw/zinc/94/12/86/1318941286.db2.gz TXTJGSAHYMKMJL-GOEBONIOSA-N 1 0 333.432 3.096 20 5 EGBDRO CC(C)[C@@H]([NH2+]CCCOc1ccc([N+](=O)[O-])cc1)C1(CO)CCC1 ZINC000815254288 1318943523 /nfs/dbraw/zinc/94/35/23/1318943523.db2.gz JVXCXYLAHNLDJM-QGZVFWFLSA-N 1 0 336.432 3.141 20 5 EGBDRO C[C@@H]([NH2+]C[C@H](Cc1ccccc1)N(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815553236 1319014490 /nfs/dbraw/zinc/01/44/90/1319014490.db2.gz VEPVUZQDGSAGST-PBHICJAKSA-N 1 0 342.443 3.001 20 5 EGBDRO C[C@H]([NH2+]C[C@@H](c1cccc(F)c1)N(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815553377 1319015066 /nfs/dbraw/zinc/01/50/66/1319015066.db2.gz YKMPSRJADUKRPD-SGTLLEGYSA-N 1 0 346.406 3.270 20 5 EGBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(NC(N)=O)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815579437 1319019298 /nfs/dbraw/zinc/01/92/98/1319019298.db2.gz MXBQEEYBGYKIOD-WDEREUQCSA-N 1 0 343.387 3.079 20 5 EGBDRO COc1cccc2c1OCC[C@@H]2[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815593263 1319024571 /nfs/dbraw/zinc/02/45/71/1319024571.db2.gz HDDLPCQALBLXGC-NHYWBVRUSA-N 1 0 343.383 3.360 20 5 EGBDRO C[C@H]([NH2+]CC1(c2ccccn2)CCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815626244 1319030812 /nfs/dbraw/zinc/03/08/12/1319030812.db2.gz ZGRRADXQWWOBPW-ZDUSSCGKSA-N 1 0 326.400 3.345 20 5 EGBDRO CCc1noc(C)c1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000815640983 1319034277 /nfs/dbraw/zinc/03/42/77/1319034277.db2.gz MFYIKCMOPVFWSF-UHFFFAOYSA-N 1 0 344.415 3.212 20 5 EGBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C[C@H](O)Cc1ccccc1 ZINC000816624727 1319197542 /nfs/dbraw/zinc/19/75/42/1319197542.db2.gz FVHOMVDXFPEELI-OAHLLOKOSA-N 1 0 334.803 3.284 20 5 EGBDRO CC[NH+]1CCC(CCNC(=O)c2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000816937073 1319250613 /nfs/dbraw/zinc/25/06/13/1319250613.db2.gz WFQVUCFVRORXTM-UHFFFAOYSA-N 1 0 339.823 3.100 20 5 EGBDRO Cc1nc(C[NH3+])ccc1[C@H](C)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000817906916 1319458730 /nfs/dbraw/zinc/45/87/30/1319458730.db2.gz GXPUZUNSKPUAFY-JTQLQIEISA-N 1 0 334.807 3.261 20 5 EGBDRO CN(C(=O)c1cc2cc([N+](=O)[O-])ccc2s1)C1CCC([NH3+])CC1 ZINC000818530266 1319551369 /nfs/dbraw/zinc/55/13/69/1319551369.db2.gz CLUFQALKPGULJU-UHFFFAOYSA-N 1 0 333.413 3.151 20 5 EGBDRO Cc1cccc(C)c1OC[C@@H](C)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000818974662 1319599907 /nfs/dbraw/zinc/59/99/07/1319599907.db2.gz OIIYMIPNSYMJQU-CRAIPNDOSA-N 1 0 344.411 3.302 20 5 EGBDRO CC(C)c1nc(CC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cs1 ZINC000819002262 1319612215 /nfs/dbraw/zinc/61/22/15/1319612215.db2.gz IXWMCOQIZDWCSX-HNNXBMFYSA-N 1 0 335.429 3.040 20 5 EGBDRO COc1cc(Cl)ccc1C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819038917 1319620871 /nfs/dbraw/zinc/62/08/71/1319620871.db2.gz MNYNFOJPUZTQCB-HNNXBMFYSA-N 1 0 336.775 3.080 20 5 EGBDRO CC(C)(C)[C@@H]1OCCC[C@@H]1C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819079349 1319628982 /nfs/dbraw/zinc/62/89/82/1319628982.db2.gz CLTJGGMSSUIIPF-HYVNUMGLSA-N 1 0 336.432 3.059 20 5 EGBDRO Cc1cc(C)cc(C[C@@H](C)[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000819110625 1319638155 /nfs/dbraw/zinc/63/81/55/1319638155.db2.gz FSENINYMRWKCML-DNVCBOLYSA-N 1 0 328.412 3.466 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2COc3ccc(Cl)cc32)c1 ZINC000819161363 1319653625 /nfs/dbraw/zinc/65/36/25/1319653625.db2.gz FSRGLEXZDMXWEQ-HUUCEWRRSA-N 1 0 334.759 3.005 20 5 EGBDRO CSc1ccc(CC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000819282551 1319688214 /nfs/dbraw/zinc/68/82/14/1319688214.db2.gz IGZRYKPUDPRJKB-QGZVFWFLSA-N 1 0 332.425 3.182 20 5 EGBDRO CSCc1ccc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000819308113 1319694453 /nfs/dbraw/zinc/69/44/53/1319694453.db2.gz FFOHLECBRPIOES-KRWDZBQOSA-N 1 0 332.425 3.281 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@H](c2ccccc2)C2CC2)c1 ZINC000819330609 1319699595 /nfs/dbraw/zinc/69/95/95/1319699595.db2.gz WVJONWHDSSIKHJ-MOPGFXCFSA-N 1 0 326.396 3.412 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CC[C@H]2CCc3ccccc32)cc1 ZINC000819339821 1319703086 /nfs/dbraw/zinc/70/30/86/1319703086.db2.gz SUGACEAHTUAOPT-DNVCBOLYSA-N 1 0 326.396 3.338 20 5 EGBDRO C[C@]1(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1(Cl)Cl ZINC000819346697 1319705836 /nfs/dbraw/zinc/70/58/36/1319705836.db2.gz HOQSJOXQNADQAR-CYBMUJFWSA-N 1 0 346.214 3.097 20 5 EGBDRO COc1cccc([C@@H]2C[C@H]2C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000819368168 1319711741 /nfs/dbraw/zinc/71/17/41/1319711741.db2.gz NCKQBKCWBIWFJF-SNRMKQJTSA-N 1 0 342.395 3.030 20 5 EGBDRO CCCC[N@H+](C)CC1CCN(c2ccc([N+](=O)[O-])c3nonc32)CC1 ZINC000917090221 1319755221 /nfs/dbraw/zinc/75/52/21/1319755221.db2.gz AVOFDAOFBNPHMW-UHFFFAOYSA-N 1 0 347.419 3.079 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000822398287 1320078839 /nfs/dbraw/zinc/07/88/39/1320078839.db2.gz XXJNIQSYJYHUJR-UHFFFAOYSA-N 1 0 333.432 3.063 20 5 EGBDRO Cc1nc(-c2cccc(NC(=O)CCC(C)(C)[N+](=O)[O-])c2)[nH]c1C ZINC000822732227 1320118197 /nfs/dbraw/zinc/11/81/97/1320118197.db2.gz UDHLDBPJEWPRMP-UHFFFAOYSA-N 1 0 330.388 3.468 20 5 EGBDRO CC(C)(c1nc(-c2ccc([N+](=O)[O-])o2)no1)[C@H]([NH3+])c1ccccc1 ZINC000823270147 1320166775 /nfs/dbraw/zinc/16/67/75/1320166775.db2.gz NUFCOWJEGIEUEN-CYBMUJFWSA-N 1 0 328.328 3.215 20 5 EGBDRO Cc1c(-c2noc([C@@H]3C[C@H]3C3CC[NH2+]CC3)n2)cccc1[N+](=O)[O-] ZINC000823269029 1320167010 /nfs/dbraw/zinc/16/70/10/1320167010.db2.gz BTUFPOLWRYODKA-UONOGXRCSA-N 1 0 328.372 3.056 20 5 EGBDRO C[C@@H](O)c1ncc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)s1 ZINC000824820773 1320288673 /nfs/dbraw/zinc/28/86/73/1320288673.db2.gz MMXJIARGYUJDEI-OCCSQVGLSA-N 1 0 347.440 3.484 20 5 EGBDRO CCC[N@@H+]1CC[C@@H](NCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000827519715 1320458273 /nfs/dbraw/zinc/45/82/73/1320458273.db2.gz SZNFWWXCDLEVKO-GFCCVEGCSA-N 1 0 332.231 3.476 20 5 EGBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1cc(Cl)c(C)cc1[N+](=O)[O-] ZINC000836587686 1320508074 /nfs/dbraw/zinc/50/80/74/1320508074.db2.gz JUDJQMKNTGQXDU-LLVKDONJSA-N 1 0 327.812 3.017 20 5 EGBDRO CC(C)(C[NH+]1CCCC1)NC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000836600184 1320509791 /nfs/dbraw/zinc/50/97/91/1320509791.db2.gz SGPSYTSRCJGRCB-UHFFFAOYSA-N 1 0 340.811 3.244 20 5 EGBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1cc(Cl)c(C)cc1[N+](=O)[O-] ZINC000836787866 1320534407 /nfs/dbraw/zinc/53/44/07/1320534407.db2.gz CEPHMHAFYWURAI-GFCCVEGCSA-N 1 0 341.839 3.407 20 5 EGBDRO O=[N+]([O-])c1ccc2c(cnn2C[N@@H+]2CCC[C@@]3(CCSC3)C2)c1 ZINC000840145813 1321038629 /nfs/dbraw/zinc/03/86/29/1321038629.db2.gz SWRGFPFNSPDJQP-MRXNPFEDSA-N 1 0 332.429 3.121 20 5 EGBDRO CO[C@](C)([C@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC000840858189 1321163644 /nfs/dbraw/zinc/16/36/44/1321163644.db2.gz AWXVCPFCGYTJEU-IFXJQAMLSA-N 1 0 347.459 3.357 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1-c1noc(C[C@@H](C)C2CC[NH2+]CC2)n1 ZINC000843187429 1321484316 /nfs/dbraw/zinc/48/43/16/1321484316.db2.gz PXKLLZVXTZSBFN-LLVKDONJSA-N 1 0 330.388 3.131 20 5 EGBDRO O=[N+]([O-])c1cc(F)c(Cl)cc1N1CCN(c2cc[nH+]cc2)CC1 ZINC000845460744 1321709311 /nfs/dbraw/zinc/70/93/11/1321709311.db2.gz XNFPTHWYYLKCHB-UHFFFAOYSA-N 1 0 336.754 3.109 20 5 EGBDRO Cn1cc([C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])c(F)c3)CC2(C)C)cn1 ZINC000846932721 1321825604 /nfs/dbraw/zinc/82/56/04/1321825604.db2.gz SEIIXMFRPBAHJA-CQSZACIVSA-N 1 0 332.379 3.093 20 5 EGBDRO C[C@H]([NH2+][C@@H]1CCC1(C)C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000846961466 1321828497 /nfs/dbraw/zinc/82/84/97/1321828497.db2.gz SKTRBDJZWLNJQA-TVQRCGJNSA-N 1 0 325.796 3.353 20 5 EGBDRO COC1CCC([N@H+](C)Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)CC1 ZINC000848479232 1321962891 /nfs/dbraw/zinc/96/28/91/1321962891.db2.gz UXYIMUYWNIXUDJ-UHFFFAOYSA-N 1 0 344.415 3.305 20 5 EGBDRO C[C@@H](CNC(=O)OC(C)(C)C)C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000848534950 1321971196 /nfs/dbraw/zinc/97/11/96/1321971196.db2.gz BMXQXOXPAAXELM-IUODEOHRSA-N 1 0 349.431 3.333 20 5 EGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@H]1COC2(CCCCC2)O1 ZINC000848537838 1321971873 /nfs/dbraw/zinc/97/18/73/1321971873.db2.gz OQKDLJIVWVELEJ-BBRMVZONSA-N 1 0 332.400 3.248 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC([NH2+]C2CCC2)CC1 ZINC000930881958 1328994933 /nfs/dbraw/zinc/99/49/33/1328994933.db2.gz ATKXSGGFPBWLSD-UHFFFAOYSA-N 1 0 332.404 3.042 20 5 EGBDRO COc1cc(N[C@H]2CCC[N@@H+]3CCCC[C@H]23)c([N+](=O)[O-])cc1OC ZINC000848785883 1322010753 /nfs/dbraw/zinc/01/07/53/1322010753.db2.gz OETUPEHOZXBRPX-GXTWGEPZSA-N 1 0 335.404 3.041 20 5 EGBDRO C[N@@H+]1CCCC[C@H]1CCOC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000919212040 1322038746 /nfs/dbraw/zinc/03/87/46/1322038746.db2.gz QWNXACVBXUAFNA-ZDUSSCGKSA-N 1 0 332.356 3.372 20 5 EGBDRO COC(=O)/C=C\c1ccc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])o1 ZINC000848911926 1322043047 /nfs/dbraw/zinc/04/30/47/1322043047.db2.gz YZDRFMIEAHEJJE-KTKRTIGZSA-N 1 0 344.367 3.049 20 5 EGBDRO CC(C)CCC[C@H](C)NC(=[NH2+])NCCNc1ccc([N+](=O)[O-])cc1 ZINC000849053633 1322060228 /nfs/dbraw/zinc/06/02/28/1322060228.db2.gz ZUSMRDRTQPHEKJ-AWEZNQCLSA-N 1 0 335.452 3.335 20 5 EGBDRO COc1ccc(CNC(=[NH2+])N[C@H](C)CCCC(C)C)cc1[N+](=O)[O-] ZINC000849065690 1322064493 /nfs/dbraw/zinc/06/44/93/1322064493.db2.gz SJGPAPJPCVBLRQ-CYBMUJFWSA-N 1 0 336.436 3.432 20 5 EGBDRO [NH2+]=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCCCC1 ZINC000849109206 1322081188 /nfs/dbraw/zinc/08/11/88/1322081188.db2.gz ALHXHCWAGGBQAW-UHFFFAOYSA-N 1 0 330.310 3.124 20 5 EGBDRO COc1cc(N2CCC(C[N@H+](C)C(C)C)CC2)c([N+](=O)[O-])cc1C ZINC000853206681 1325060714 /nfs/dbraw/zinc/06/07/14/1325060714.db2.gz SWSZQXOHOCSDBR-UHFFFAOYSA-N 1 0 335.448 3.468 20 5 EGBDRO COc1cc(NC[C@@H]2CCC[N@H+](CC3CC3)C2)c([N+](=O)[O-])cc1OC ZINC000854000307 1325200781 /nfs/dbraw/zinc/20/07/81/1325200781.db2.gz UDHOTKSJSPBRDY-AWEZNQCLSA-N 1 0 349.431 3.146 20 5 EGBDRO Cc1c(-c2noc(-c3cc4c(s3)CC[NH2+]C4)n2)cccc1[N+](=O)[O-] ZINC000854161516 1325222955 /nfs/dbraw/zinc/22/29/55/1325222955.db2.gz ZXXCNXUOPDLMFV-UHFFFAOYSA-N 1 0 342.380 3.327 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+]CCO[C@H]2CCOC2)c2ccccc2)c1 ZINC000927080952 1327850358 /nfs/dbraw/zinc/85/03/58/1327850358.db2.gz NXJNCRNKMXRNET-OALUTQOASA-N 1 0 342.395 3.079 20 5 EGBDRO C[C@H]([NH3+])CN(C)Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000863651458 1329570618 /nfs/dbraw/zinc/57/06/18/1329570618.db2.gz JGPKLJNJZHYCGT-LBPRGKRZSA-N 1 0 333.363 3.305 20 5 EGBDRO C[C@@H]([NH2+]CC(=O)N1CCC[C@@H]2CCCC[C@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000932182240 1329791614 /nfs/dbraw/zinc/79/16/14/1329791614.db2.gz KCLCNYCBDMSYNZ-UWWQBHOKSA-N 1 0 345.443 3.427 20 5 EGBDRO Cc1ccccc1CN(C)C(=O)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000932181345 1329791656 /nfs/dbraw/zinc/79/16/56/1329791656.db2.gz PDBLNFVSYBQLNW-OAHLLOKOSA-N 1 0 341.411 3.212 20 5 EGBDRO CC(C)(C)OC(=O)NCC[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000932701875 1329835353 /nfs/dbraw/zinc/83/53/53/1329835353.db2.gz GARPDBCKLNNKIM-AWEZNQCLSA-N 1 0 349.431 3.332 20 5 EGBDRO CC(C)[NH+](CCCNC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)C(C)C ZINC000933943065 1329935102 /nfs/dbraw/zinc/93/51/02/1329935102.db2.gz DAYRWJYYZSHIEP-QZTJIDSGSA-N 1 0 347.459 3.323 20 5 EGBDRO CN(C(=O)C[NH2+]C1(C2CCCCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000934787191 1330007075 /nfs/dbraw/zinc/00/70/75/1330007075.db2.gz HIHHIAVGNCAICC-UHFFFAOYSA-N 1 0 331.416 3.260 20 5 EGBDRO CC(=O)Nc1cccc(C[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])c1 ZINC000866232214 1330081431 /nfs/dbraw/zinc/08/14/31/1330081431.db2.gz HRNQLUYRIGMFOM-GFCCVEGCSA-N 1 0 345.374 3.413 20 5 EGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCN1Cc2ccccc2C1 ZINC000866246159 1330084815 /nfs/dbraw/zinc/08/48/15/1330084815.db2.gz HDBLWJRUTKRKFG-CQSZACIVSA-N 1 0 343.402 3.270 20 5 EGBDRO CC(C)C[C@@H](CCO)C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866275720 1330089475 /nfs/dbraw/zinc/08/94/75/1330089475.db2.gz FQBHWTQIIXGBHU-UONOGXRCSA-N 1 0 326.412 3.299 20 5 EGBDRO CC(C)(C)C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001034782211 1342757300 /nfs/dbraw/zinc/75/73/00/1342757300.db2.gz AYVNRRKWRHJXBC-SHTZXODSSA-N 1 0 333.432 3.158 20 5 EGBDRO CCC(C)(C)C(=O)N1CC2(C1)CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001072932966 1355504659 /nfs/dbraw/zinc/50/46/59/1355504659.db2.gz AUVQRVKDEGCMQD-UHFFFAOYSA-N 1 0 345.443 3.065 20 5 EGBDRO O=[N+]([O-])c1ccc(SCc2nc([C@@H]3C[NH+]4CCC3CC4)no2)cc1 ZINC001325470903 1387985182 /nfs/dbraw/zinc/98/51/82/1387985182.db2.gz STRVBBWBGLDAEL-CQSZACIVSA-N 1 0 346.412 3.079 20 5 EGBDRO CCCCC(=O)N1CCC(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001204516425 1370500331 /nfs/dbraw/zinc/50/03/31/1370500331.db2.gz AKKHZYQDYHIPDB-UHFFFAOYSA-N 1 0 333.432 3.113 20 5 EGBDRO COc1cc(C[N@H+](C)[C@@H]2CC[C@H](SC)C2)c([N+](=O)[O-])cc1F ZINC001116607642 1370944476 /nfs/dbraw/zinc/94/44/76/1370944476.db2.gz YQOAAFKFGAAZDY-NEPJUHHUSA-N 1 0 328.409 3.458 20 5 EGBDRO Cc1cc(-c2nnc(CC[NH+]3CCC(C)CC3)o2)ccc1[N+](=O)[O-] ZINC001326265831 1388137147 /nfs/dbraw/zinc/13/71/47/1388137147.db2.gz ICFGAZWFJITGHE-UHFFFAOYSA-N 1 0 330.388 3.228 20 5 EGBDRO Cc1nn(C(C)C)c(C)c1C[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC001120024181 1371460072 /nfs/dbraw/zinc/46/00/72/1371460072.db2.gz IEAJKLXXTFRSCU-UHFFFAOYSA-N 1 0 332.404 3.158 20 5 EGBDRO C/C=C(/C)C(=O)NC1CC2(C1)CC([NH2+]Cc1ccccc1[N+](=O)[O-])C2 ZINC001120915192 1371805251 /nfs/dbraw/zinc/80/52/51/1371805251.db2.gz RFNWNHPZCYLNRD-DXNYSGJVSA-N 1 0 343.427 3.078 20 5 EGBDRO CCOc1cccc(NC2CCN(c3cc[nH+]cc3)CC2)c1[N+](=O)[O-] ZINC001121014874 1371835372 /nfs/dbraw/zinc/83/53/72/1371835372.db2.gz UKVNFCWJDDASGJ-UHFFFAOYSA-N 1 0 342.399 3.469 20 5 EGBDRO CO[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Br ZINC001326400103 1388177907 /nfs/dbraw/zinc/17/79/07/1388177907.db2.gz IDOOPRGYMNTHKV-ZIAGYGMSSA-N 1 0 343.221 3.405 20 5 EGBDRO Cc1cc(NC(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)cc([N+](=O)[O-])c1 ZINC001123361605 1372442644 /nfs/dbraw/zinc/44/26/44/1372442644.db2.gz YMYPTWWXJMHGES-OAHLLOKOSA-N 1 0 346.431 3.147 20 5 EGBDRO C[C@H](OCCCC1CC[NH2+]CC1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001217834076 1373505387 /nfs/dbraw/zinc/50/53/87/1373505387.db2.gz RFLWRZDDAHPMJX-LBPRGKRZSA-N 1 0 336.388 3.181 20 5 EGBDRO Cc1cc(Br)cc([N+](=O)[O-])c1O[C@H]1CCC[NH2+]C[C@H]1F ZINC001217952568 1373517762 /nfs/dbraw/zinc/51/77/62/1373517762.db2.gz XETDCBNMELIIFR-PWSUYJOCSA-N 1 0 347.184 3.135 20 5 EGBDRO O=[N+]([O-])c1cc(O[C@@H]2CCCC[NH2+]C2)c(Br)cc1F ZINC001217969584 1373521500 /nfs/dbraw/zinc/52/15/00/1373521500.db2.gz XOYKGQANLGGYFE-MRVPVSSYSA-N 1 0 333.157 3.017 20 5 EGBDRO O=c1oc2cc(O[C@@H]3C[NH2+]CCC[C@@H]3F)ccc2c2ccccc12 ZINC001217974966 1373523101 /nfs/dbraw/zinc/52/31/01/1373523101.db2.gz GVNOPCJKLHKFNB-FUHWJXTLSA-N 1 0 327.355 3.415 20 5 EGBDRO Cc1cc(Br)c(O[C@@H]2CCC[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC001217993717 1373529471 /nfs/dbraw/zinc/52/94/71/1373529471.db2.gz SCDZFBMCNNQRMR-ZWNOBZJWSA-N 1 0 343.221 3.433 20 5 EGBDRO C[C@H]1C[NH2+]CCC[C@H]1Oc1c(F)cc([N+](=O)[O-])cc1Br ZINC001217992599 1373529589 /nfs/dbraw/zinc/52/95/89/1373529589.db2.gz SFYJHEDTEDMQKY-QPUJVOFHSA-N 1 0 347.184 3.263 20 5 EGBDRO Cc1cc(O[C@H](C)C2CC[NH2+]CC2)c([N+](=O)[O-])cc1Br ZINC001218002737 1373531485 /nfs/dbraw/zinc/53/14/85/1373531485.db2.gz KHPQHDXJNXGXLQ-SNVBAGLBSA-N 1 0 343.221 3.433 20 5 EGBDRO C[C@@H]1CC[NH2+]CC[C@@H]1Oc1cccc(Br)c1[N+](=O)[O-] ZINC001218030452 1373542289 /nfs/dbraw/zinc/54/22/89/1373542289.db2.gz RDOGPSYZZWTRNL-KOLCDFICSA-N 1 0 329.194 3.124 20 5 EGBDRO C[C@@H]1CC[NH2+]CC[C@@H]1Oc1ccc2c(c1)oc1cc(O)ccc1c2=O ZINC001218030043 1373542822 /nfs/dbraw/zinc/54/28/22/1373542822.db2.gz OVXVIZNQMQUCKN-PXAZEXFGSA-N 1 0 339.391 3.419 20 5 EGBDRO C[C@H]1CC[NH2+]CC[C@@H]1Oc1cnc2ccc(=O)n3c4ccccc4c1c23 ZINC001218035612 1373544019 /nfs/dbraw/zinc/54/40/19/1373544019.db2.gz ZRLURIPNWMVSJU-GUYCJALGSA-N 1 0 347.418 3.206 20 5 EGBDRO Oc1c2ccccc2c(OC[C@H]2CO[C@@H]3C[NH2+]C[C@H]23)c2ccccc12 ZINC001218083881 1373557120 /nfs/dbraw/zinc/55/71/20/1373557120.db2.gz CVSSCMDTOSHWRB-UPRAQXHNSA-N 1 0 335.403 3.312 20 5 EGBDRO O=[N+]([O-])c1cccc(O[C@H]2CCC[C@@]23CC[NH2+]C3)c1Br ZINC001218090697 1373558397 /nfs/dbraw/zinc/55/83/97/1373558397.db2.gz CGIPIWSHNFEVFX-JSGCOSHPSA-N 1 0 341.205 3.268 20 5 EGBDRO O=[N+]([O-])c1cc(Br)c(F)cc1O[C@@H]1CC[C@]12CC[NH2+]C2 ZINC001218115928 1373563949 /nfs/dbraw/zinc/56/39/49/1373563949.db2.gz PDRUUSGTMFBORQ-CHWSQXEVSA-N 1 0 345.168 3.017 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2cccc(O[C@H]3CC[C@@H]4[NH2+]CCO[C@@H]43)c2)c1 ZINC001218119933 1373564244 /nfs/dbraw/zinc/56/42/44/1373564244.db2.gz LXQMGGGBLACDJK-FHWLQOOXSA-N 1 0 340.379 3.160 20 5 EGBDRO Cc1cc(O[C@@H]2CC[C@@]23CC[NH2+]C3)c([N+](=O)[O-])cc1Br ZINC001218118664 1373564304 /nfs/dbraw/zinc/56/43/04/1373564304.db2.gz QEFQPWFFAQJYRF-KGLIPLIRSA-N 1 0 341.205 3.187 20 5 EGBDRO O=[N+]([O-])c1cc([N+](=O)[O-])c(O[C@H]2CC[C@@]23CC[NH2+]C3)c2ccccc21 ZINC001218120028 1373564433 /nfs/dbraw/zinc/56/44/33/1373564433.db2.gz SAFOIBSFAUOTQC-RDJZCZTQSA-N 1 0 343.339 3.177 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2cccc(O[C@H]3CC[C@@H]4[NH2+]CCO[C@H]43)c2)c1 ZINC001218150930 1373570548 /nfs/dbraw/zinc/57/05/48/1373570548.db2.gz LXQMGGGBLACDJK-GBESFXJTSA-N 1 0 340.379 3.160 20 5 EGBDRO Oc1cccc2cc3cccc(O)c3c(O[C@H]3C[NH2+]CC[C@H]3F)c12 ZINC001218323044 1373595765 /nfs/dbraw/zinc/59/57/65/1373595765.db2.gz XKGIMZMLPWLKOW-CJNGLKHVSA-N 1 0 327.355 3.483 20 5 EGBDRO CCC(=O)[C@H]1C[C@@H](Oc2cccc(-c3cccc([N+](=O)[O-])c3)c2)C[NH2+]1 ZINC001218327281 1373597199 /nfs/dbraw/zinc/59/71/99/1373597199.db2.gz HYIFBCYEDPJXKY-QZTJIDSGSA-N 1 0 340.379 3.350 20 5 EGBDRO C[C@H]1C[NH2+]CC[C@@H]1Oc1c([N+](=O)[O-])cc(C(C)(C)C)cc1[N+](=O)[O-] ZINC001218424181 1373610631 /nfs/dbraw/zinc/61/06/31/1373610631.db2.gz MTAFRJDLJCBECC-HZMBPMFUSA-N 1 0 337.376 3.177 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1O[C@H]1C[NH2+]CCC1(F)F ZINC001218452864 1373616097 /nfs/dbraw/zinc/61/60/97/1373616097.db2.gz FPZJFGWUDVWWFS-VIFPVBQESA-N 1 0 327.114 3.278 20 5 EGBDRO O=[N+]([O-])c1cc([N+](=O)[O-])c(O[C@@H]2CC[C@H]3C[NH2+]C[C@@H]32)c2ccccc21 ZINC001218460909 1373618641 /nfs/dbraw/zinc/61/86/41/1373618641.db2.gz OSDQMLBCWMQRMP-YNZJMPHRSA-N 1 0 343.339 3.033 20 5 EGBDRO CC1(C)C[NH2+][C@@](C)(C(=O)Nc2cc3nc4ccccc4nc3cc2N)C1 ZINC001218857974 1373662188 /nfs/dbraw/zinc/66/21/88/1373662188.db2.gz ROYYKYLYWHWZBB-HXUWFJFHSA-N 1 0 349.438 3.082 20 5 EGBDRO O=C(NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1)c1c2ccccc2cc2ccccc21 ZINC001219834890 1373735306 /nfs/dbraw/zinc/73/53/06/1373735306.db2.gz UDRZHCUWKUFGNT-HLIPFELVSA-N 1 0 346.430 3.100 20 5 EGBDRO O=[N+]([O-])c1ccc(O[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)nc1 ZINC001225634974 1375136497 /nfs/dbraw/zinc/13/64/97/1375136497.db2.gz UCCRYKINAFFAAE-BPQIPLTHSA-N 1 0 339.395 3.279 20 5 EGBDRO C[C@H](c1ccccn1)N1CC[C@@H](Oc2cccc([N+](=O)[O-])c2F)C1 ZINC001225796388 1375156997 /nfs/dbraw/zinc/15/69/97/1375156997.db2.gz KUJIJHWJAQKVPH-CHWSQXEVSA-N 1 0 331.347 3.343 20 5 EGBDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2Oc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC001225894703 1375170325 /nfs/dbraw/zinc/17/03/25/1375170325.db2.gz OPGWCGPVXLRJKY-DDFAGTSDSA-N 1 0 345.321 3.118 20 5 EGBDRO C[C@H](c1ccccn1)N1CC[C@@H](Oc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC001226258858 1375229116 /nfs/dbraw/zinc/22/91/16/1375229116.db2.gz QKYLPYARWPSGEY-DGCLKSJQSA-N 1 0 348.790 3.253 20 5 EGBDRO Cc1ccc(O[C@@H]2CCC[N@@H+]([C@@H](C)c3ccccn3)C2)c([N+](=O)[O-])n1 ZINC001227223907 1375408784 /nfs/dbraw/zinc/40/87/84/1375408784.db2.gz QXNSVEBSLWJKSC-LSDHHAIUSA-N 1 0 342.399 3.298 20 5 EGBDRO COC(=O)c1ccc(Br)c(O[C@@H](C)C[N+](C)(C)C)c1C ZINC001227822002 1375480167 /nfs/dbraw/zinc/48/01/67/1375480167.db2.gz LQLJOAUNGBLTRU-JTQLQIEISA-N 1 0 345.257 3.018 20 5 EGBDRO COC(=O)c1ccc(Br)c(O[C@H](C)C[N+](C)(C)C)c1C ZINC001227822010 1375480788 /nfs/dbraw/zinc/48/07/88/1375480788.db2.gz LQLJOAUNGBLTRU-SNVBAGLBSA-N 1 0 345.257 3.018 20 5 EGBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cc(Cl)cc(Cl)c1Cl ZINC001228109691 1375518304 /nfs/dbraw/zinc/51/83/04/1375518304.db2.gz TWMWPZIPLGDCTB-SECBINFHSA-N 1 0 341.642 3.009 20 5 EGBDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1ccc([N+](=O)[O-])c2cccnc12 ZINC001228138380 1375520277 /nfs/dbraw/zinc/52/02/77/1375520277.db2.gz JSNJGUFHDXRZLX-MCBXIFIFSA-N 1 0 327.384 3.252 20 5 EGBDRO COCC[NH+]1CCC(Oc2cccc3nc4ccccc4nc32)CC1 ZINC001228519745 1375585423 /nfs/dbraw/zinc/58/54/23/1375585423.db2.gz QPJPMLVITWVYHI-UHFFFAOYSA-N 1 0 337.423 3.273 20 5 EGBDRO O=[N+]([O-])c1ccncc1O[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001228881362 1375704457 /nfs/dbraw/zinc/70/44/57/1375704457.db2.gz DJOFBMKPPBIRLU-LZLYRXPVSA-N 1 0 339.395 3.279 20 5 EGBDRO C[C@H](C[N+](C)(C)C)Oc1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2 ZINC001229014783 1375737584 /nfs/dbraw/zinc/73/75/84/1375737584.db2.gz AROHTJILJVBAQP-CQSZACIVSA-N 1 0 335.468 3.411 20 5 EGBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(Br)c2c1C(=O)CC2 ZINC001229372286 1375821123 /nfs/dbraw/zinc/82/11/23/1375821123.db2.gz YKCYKKGOKUPTPF-SNVBAGLBSA-N 1 0 327.242 3.052 20 5 EGBDRO Cc1ccc(C(=O)c2ccc(O)c(O[C@H](C)C[N+](C)(C)C)c2)cc1 ZINC001229537992 1375852271 /nfs/dbraw/zinc/85/22/71/1375852271.db2.gz OCWUVXHMGXSETB-OAHLLOKOSA-O 1 0 328.432 3.405 20 5 EGBDRO Cc1ccc(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1Cl ZINC001133261303 1375875922 /nfs/dbraw/zinc/87/59/22/1375875922.db2.gz KBQVYWUBUYTVMO-UHFFFAOYSA-N 1 0 347.802 3.076 20 5 EGBDRO Cc1ccc(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])cc1Cl ZINC001133262259 1375878079 /nfs/dbraw/zinc/87/80/79/1375878079.db2.gz YXAIBZDYFOYCBE-UHFFFAOYSA-N 1 0 347.802 3.076 20 5 EGBDRO C[N@@H+]1CCC[C@H](Oc2c(F)cc([N+](=O)[O-])cc2Br)CC1 ZINC001229898952 1375915446 /nfs/dbraw/zinc/91/54/46/1375915446.db2.gz NMDXOTGZDBEBLL-JTQLQIEISA-N 1 0 347.184 3.360 20 5 EGBDRO OC[C@@H]1C[N@H+](Cc2c3ccccc3c3cc4ccccc4oc2-3)C[C@@H]1O ZINC001231817976 1376320246 /nfs/dbraw/zinc/32/02/46/1376320246.db2.gz JOWJZYGSUWMSMG-YWZLYKJASA-N 1 0 347.414 3.476 20 5 EGBDRO CC(C)CCCCCC(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001134786161 1376719907 /nfs/dbraw/zinc/71/99/07/1376719907.db2.gz UNSRKLRWKNWFFJ-UHFFFAOYSA-N 1 0 341.477 3.469 20 5 EGBDRO Cc1cc(-c2ccccc2)ccc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001233929482 1376739926 /nfs/dbraw/zinc/73/99/26/1376739926.db2.gz AXHGLYXFFWBKGY-GOSISDBHSA-N 1 0 328.432 3.025 20 5 EGBDRO CC(C)CC1(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC001135414138 1377081952 /nfs/dbraw/zinc/08/19/52/1377081952.db2.gz MHAYSMQLBVRPQN-UHFFFAOYSA-N 1 0 347.459 3.407 20 5 EGBDRO Cc1ccc(Cl)cc1C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001135498932 1377119225 /nfs/dbraw/zinc/11/92/25/1377119225.db2.gz DJNMKBQSYZJQMN-UHFFFAOYSA-N 1 0 347.802 3.076 20 5 EGBDRO COC(=O)C1(O)CC[NH+](Cc2c3ccccc3cc3ccccc32)CC1 ZINC001141728543 1378366826 /nfs/dbraw/zinc/36/68/26/1378366826.db2.gz WAKAZZHXNBRYQE-UHFFFAOYSA-N 1 0 349.430 3.493 20 5 EGBDRO O=[N+]([O-])c1cnc(NCc2ccc3c(c2)CC[NH2+]C3)c2ccccc21 ZINC001155267762 1380431046 /nfs/dbraw/zinc/43/10/46/1380431046.db2.gz LDSTXOQOSMWODJ-UHFFFAOYSA-N 1 0 334.379 3.401 20 5 EGBDRO CCOc1nc(-n2ccc3cc([C@@H](C)[NH3+])ccc32)ccc1[N+](=O)[O-] ZINC001155347578 1380440543 /nfs/dbraw/zinc/44/05/43/1380440543.db2.gz GDTLIHZGUNINGM-LLVKDONJSA-N 1 0 326.356 3.352 20 5 EGBDRO Cc1cc(Cl)nc(N[C@@H]2CC[NH2+][C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC001155550360 1380467147 /nfs/dbraw/zinc/46/71/47/1380467147.db2.gz UKKXHNCENOTCHX-OCCSQVGLSA-N 1 0 332.791 3.467 20 5 EGBDRO O=[N+]([O-])c1ccc2nc(Cl)cc(N[C@H]3CC[C@@H]4C[NH2+]C[C@@H]43)c2c1 ZINC001155587921 1380470750 /nfs/dbraw/zinc/47/07/50/1380470750.db2.gz GZMXLNRLJSFRBC-LQJRIPTKSA-N 1 0 332.791 3.206 20 5 EGBDRO C[NH+](C)C[C@@]12C[C@@H]1CN(c1nc3ccccc3c(Cl)c1[N+](=O)[O-])C2 ZINC001156385979 1380568894 /nfs/dbraw/zinc/56/88/94/1380568894.db2.gz UALJNMOAEFUUFT-PIGZYNQJSA-N 1 0 346.818 3.184 20 5 EGBDRO CC(C)[NH+]1CCC(CNc2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC001156495569 1380583806 /nfs/dbraw/zinc/58/38/06/1380583806.db2.gz HYKXZQRIUBHPFS-UHFFFAOYSA-N 1 0 329.404 3.070 20 5 EGBDRO N=c1cc(C[NH3+])ccn1-c1ccc2ccc3ccc(Cl)nc3c2n1 ZINC001156851139 1380691549 /nfs/dbraw/zinc/69/15/49/1380691549.db2.gz ZRSYZKDUHUOQSF-UHFFFAOYSA-N 1 0 335.798 3.165 20 5 EGBDRO CC(C)[N@H+](C)[C@H]1CCN(C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)C1 ZINC001157011164 1380751720 /nfs/dbraw/zinc/75/17/20/1380751720.db2.gz XPQHHZZZQKKHPK-JTQLQIEISA-N 1 0 348.781 3.107 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(-n2cc(CC[NH3+])c3cc(O)ccc32)nc1Cl ZINC001157218757 1380814497 /nfs/dbraw/zinc/81/44/97/1380814497.db2.gz WXCPDCIIQYOQBP-UHFFFAOYSA-N 1 0 346.774 3.102 20 5 EGBDRO C[C@H]([NH3+])c1ccn(-c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)n1 ZINC001158357203 1381215800 /nfs/dbraw/zinc/21/58/00/1381215800.db2.gz XUCIGXLGZWICDU-JTQLQIEISA-N 1 0 327.319 3.001 20 5 EGBDRO C[NH+]1CCC(N(Cc2ccc(F)cc2)c2cc([N+](=O)[O-])ccn2)CC1 ZINC001158445459 1381248648 /nfs/dbraw/zinc/24/86/48/1381248648.db2.gz IQMJRWNMXGXCTH-UHFFFAOYSA-N 1 0 344.390 3.230 20 5 EGBDRO C[NH+](C)CCC(C)(C)Nc1ccc(-c2ccccc2[N+](=O)[O-])nn1 ZINC001158760248 1381387470 /nfs/dbraw/zinc/38/74/70/1381387470.db2.gz MPTASTSAYBTZHQ-UHFFFAOYSA-N 1 0 329.404 3.194 20 5 EGBDRO O=[N+]([O-])c1cccc(Nc2ccc(OCC3CC[NH2+]CC3)nc2)c1 ZINC001159344737 1381772457 /nfs/dbraw/zinc/77/24/57/1381772457.db2.gz ZXEZVVYZBZDVCB-UHFFFAOYSA-N 1 0 328.372 3.112 20 5 EGBDRO COc1ccc(Nc2ccc(N3CCC[C@@H]([NH3+])C3)cc2)cc1[N+](=O)[O-] ZINC001159982056 1381958370 /nfs/dbraw/zinc/95/83/70/1381958370.db2.gz PWPJOFWGRMQKTI-CYBMUJFWSA-N 1 0 342.399 3.275 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1Nc1cc(F)ccc1N1CC[C@@H]([NH3+])C1 ZINC001160056008 1381984494 /nfs/dbraw/zinc/98/44/94/1381984494.db2.gz LUXIVNVUVRAHHM-CYBMUJFWSA-N 1 0 330.363 3.323 20 5 EGBDRO O=[N+]([O-])c1cc(F)cc(Nc2c(F)cccc2N2CC[NH2+]CC2)c1 ZINC001160062843 1381986525 /nfs/dbraw/zinc/98/65/25/1381986525.db2.gz CXWKTGUBGVDMCE-UHFFFAOYSA-N 1 0 334.326 3.026 20 5 EGBDRO CC(C)Oc1nc(-n2c(CC[NH3+])cc3ccccc32)ccc1[N+](=O)[O-] ZINC001160132103 1382009611 /nfs/dbraw/zinc/00/96/11/1382009611.db2.gz ZCYVPUSNPRAQBZ-UHFFFAOYSA-N 1 0 340.383 3.222 20 5 EGBDRO O=[N+]([O-])c1ccc2ccnc(N[C@H]3CC[NH2+]C[C@H]3C(F)(F)F)c2c1 ZINC001160745328 1382185063 /nfs/dbraw/zinc/18/50/63/1382185063.db2.gz WCDPGQVYQFWEFK-OLZOCXBDSA-N 1 0 340.305 3.095 20 5 EGBDRO C[C@@H]1CCC[N@@H+]1CCNc1ncnc2c(Cl)cc([N+](=O)[O-])cc12 ZINC001328538633 1388771559 /nfs/dbraw/zinc/77/15/59/1388771559.db2.gz NKNJQTCENGPKNW-SNVBAGLBSA-N 1 0 335.795 3.088 20 5 EGBDRO [NH3+]C1(CC2CCC2)CCN(c2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC001161571216 1382442486 /nfs/dbraw/zinc/44/24/86/1382442486.db2.gz AWAFHFHJLHLQOE-UHFFFAOYSA-N 1 0 341.415 3.026 20 5 EGBDRO CC(C)(C)OC(=O)c1ccc(N[C@@H]2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC001162399742 1382747346 /nfs/dbraw/zinc/74/73/46/1382747346.db2.gz DGUFYFOYCFRZKK-VXGBXAGGSA-N 1 0 335.404 3.232 20 5 EGBDRO [NH3+][C@@H]1CCC[C@@H](Nc2c(Br)cc(F)cc2[N+](=O)[O-])C1 ZINC001162397049 1382747510 /nfs/dbraw/zinc/74/75/10/1382747510.db2.gz QBKFYYCXOXOADT-RKDXNWHRSA-N 1 0 332.173 3.178 20 5 EGBDRO COc1cc(NCc2ccc3c(c2)CC[NH2+]C3)cc([N+](=O)[O-])c1C ZINC001162809527 1382879787 /nfs/dbraw/zinc/87/97/87/1382879787.db2.gz FHEKDXHRDYFJJJ-UHFFFAOYSA-N 1 0 327.384 3.170 20 5 EGBDRO O=[N+]([O-])c1cc2cc[nH]c2c(NC[C@H]2CCC3(CC[NH2+]CC3)CO2)c1 ZINC001162966048 1382930435 /nfs/dbraw/zinc/93/04/35/1382930435.db2.gz PMWKRQUNQCDQDU-OAHLLOKOSA-N 1 0 344.415 3.037 20 5 EGBDRO O=[N+]([O-])c1c(Cl)cc(Cl)nc1NC1CC2(C1)CCC[NH2+]C2 ZINC001162982032 1382936342 /nfs/dbraw/zinc/93/63/42/1382936342.db2.gz ZVELATGJNCCYEZ-UHFFFAOYSA-N 1 0 331.203 3.241 20 5 EGBDRO Cc1ccc2c(c1)[C@@H](Nc1ncccc1[N+](=O)[O-])CC21CC[NH2+]CC1 ZINC001163031930 1382951826 /nfs/dbraw/zinc/95/18/26/1382951826.db2.gz SGKGTGHXEKSTQT-INIZCTEOSA-N 1 0 338.411 3.476 20 5 EGBDRO CCCC(C[NH3+])(CCC)Nc1ncnc2cc(OC)c([N+](=O)[O-])cc21 ZINC001163038841 1382953021 /nfs/dbraw/zinc/95/30/21/1382953021.db2.gz RRQHAEKFLIIUCL-UHFFFAOYSA-N 1 0 347.419 3.256 20 5 EGBDRO CC(C)CC(=O)NCCC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001163202105 1382992197 /nfs/dbraw/zinc/99/21/97/1382992197.db2.gz NTNJLGOYNIXUGO-UHFFFAOYSA-N 1 0 333.432 3.017 20 5 EGBDRO [NH3+]C[C@@H](Nc1ccc(-c2ccccc2[N+](=O)[O-])nn1)c1ccccc1 ZINC001163298065 1383015381 /nfs/dbraw/zinc/01/53/81/1383015381.db2.gz QQBHZCPWHRHXOB-MRXNPFEDSA-N 1 0 335.367 3.164 20 5 EGBDRO CC(C)[N@@H+]1CC[C@H](Nc2cnc3cc([N+](=O)[O-])ccc3n2)[C@H](C)C1 ZINC001163360512 1383030445 /nfs/dbraw/zinc/03/04/45/1383030445.db2.gz DORDKPXSOUYAPV-OCCSQVGLSA-N 1 0 329.404 3.069 20 5 EGBDRO C[C@@H]1CC[C@@H](C[NH3+])N(c2ccc3c(ccc(Cl)c3[N+](=O)[O-])n2)C1 ZINC001164073618 1383153136 /nfs/dbraw/zinc/15/31/36/1383153136.db2.gz NFJCESRPJPXEON-MNOVXSKESA-N 1 0 334.807 3.360 20 5 EGBDRO [NH3+][C@@H]1CCN(c2ccc3ccc4ccc(Br)nc4c3n2)C1 ZINC001164286344 1383174608 /nfs/dbraw/zinc/17/46/08/1383174608.db2.gz MGRBQAJUQMTLQK-GFCCVEGCSA-N 1 0 343.228 3.083 20 5 EGBDRO CC[NH+]1CCC(N(C)c2cc([N+](=O)[O-])cc3c(Cl)ncnc32)CC1 ZINC001165069959 1383221968 /nfs/dbraw/zinc/22/19/68/1383221968.db2.gz YXKCFITUIGDXRW-UHFFFAOYSA-N 1 0 349.822 3.112 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(N2CCCC[C@H]2C2CC[NH2+]CC2)nc1Cl ZINC001165320055 1383272320 /nfs/dbraw/zinc/27/23/20/1383272320.db2.gz NGDZONMSFQUZID-ZDUSSCGKSA-N 1 0 338.839 3.310 20 5 EGBDRO CCc1ccccc1C(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001165328688 1383274210 /nfs/dbraw/zinc/27/42/10/1383274210.db2.gz VMSXUBLVKIWYNI-UHFFFAOYSA-N 1 0 341.411 3.067 20 5 EGBDRO O=[N+]([O-])c1c(Cl)c2ccccc2nc1N1CCC(C2C[NH2+]C2)CC1 ZINC001165411287 1383289442 /nfs/dbraw/zinc/28/94/42/1383289442.db2.gz RRDBUQNISMDMRD-UHFFFAOYSA-N 1 0 346.818 3.232 20 5 EGBDRO C[NH2+]Cc1cn(-c2nc(C)cc(OC)c2[N+](=O)[O-])c2ccc(C)cc12 ZINC001167123257 1383544861 /nfs/dbraw/zinc/54/48/61/1383544861.db2.gz JEDRYCOIMNCYIG-UHFFFAOYSA-N 1 0 340.383 3.279 20 5 EGBDRO [NH3+]Cc1nn(-c2nc(-c3ccccc3)ccc2[N+](=O)[O-])c2ccccc12 ZINC001167695079 1383713676 /nfs/dbraw/zinc/71/36/76/1383713676.db2.gz CAXXQFOIXFYTRL-UHFFFAOYSA-N 1 0 345.362 3.454 20 5 EGBDRO Cc1ncn(-c2cc3cccnc3c3ncccc23)c1CSCC[NH3+] ZINC001168790372 1384005333 /nfs/dbraw/zinc/00/53/33/1384005333.db2.gz IKSPNIWVHAKKPB-UHFFFAOYSA-N 1 0 349.463 3.469 20 5 EGBDRO COc1cccc(C(F)(F)F)c1C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168969911 1384073590 /nfs/dbraw/zinc/07/35/90/1384073590.db2.gz GJVIGYUAOSPFJF-WDEREUQCSA-N 1 0 332.322 3.249 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2ncc(C(F)(F)F)cc2Cl)C1 ZINC001168968380 1384073669 /nfs/dbraw/zinc/07/36/69/1384073669.db2.gz YILJRGVPBSEADO-WPRPVWTQSA-N 1 0 337.729 3.289 20 5 EGBDRO COc1ccc2c(c1)c(C[C@H](C)[NH3+])cn2[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168969510 1384073743 /nfs/dbraw/zinc/07/37/43/1384073743.db2.gz FDMDFKWYEFRKHZ-GUTXKFCHSA-N 1 0 331.416 3.158 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2cc(Br)ccc2F)C1 ZINC001168972824 1384075314 /nfs/dbraw/zinc/07/53/14/1384075314.db2.gz BLZRMOJWIXIHHW-SKDRFNHKSA-N 1 0 331.185 3.123 20 5 EGBDRO Cc1cc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)ccc1Br ZINC001168987218 1384080122 /nfs/dbraw/zinc/08/01/22/1384080122.db2.gz HPZKCVFOMKUOCX-STQMWFEESA-N 1 0 327.222 3.293 20 5 EGBDRO Cc1ccc(F)c(CN2CCC([NH2+][C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)c1 ZINC001168990892 1384081224 /nfs/dbraw/zinc/08/12/24/1384081224.db2.gz FGJDRFNTXJYIPQ-QAPCUYQASA-N 1 0 349.450 3.134 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2cncn2Cc2ccc(Cl)cc2)C1 ZINC001168996105 1384081911 /nfs/dbraw/zinc/08/19/11/1384081911.db2.gz VGTODPBHXKAEDB-ZBFHGGJFSA-N 1 0 348.834 3.120 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCc3cc(Br)ccc3C2)C1 ZINC001169010270 1384088377 /nfs/dbraw/zinc/08/83/77/1384088377.db2.gz CBNKNSZJWPOCHV-ABAIWWIYSA-N 1 0 339.233 3.253 20 5 EGBDRO C[C@H]1C[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC[C@@]1(C)c1cccc(O)c1 ZINC001169034009 1384094240 /nfs/dbraw/zinc/09/42/40/1384094240.db2.gz FENWXRGYKCMTIT-BUIAKZPTSA-N 1 0 332.444 3.437 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CC3(CC(OCc4ccccc4)C3)C2)C1 ZINC001169039915 1384098016 /nfs/dbraw/zinc/09/80/16/1384098016.db2.gz VTIVMKXJDCGVSU-IAGOWNOFSA-N 1 0 330.428 3.113 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCC(n3ncc4ccccc43)CC2)C1 ZINC001169040145 1384098438 /nfs/dbraw/zinc/09/84/38/1384098438.db2.gz YFUVQLSQCYXZPC-YOEHRIQHSA-N 1 0 328.416 3.119 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCCC3(CN(Cc4ccccc4)C3)C2)C1 ZINC001169042855 1384099173 /nfs/dbraw/zinc/09/91/73/1384099173.db2.gz GORYILDTSFQBKK-MOPGFXCFSA-N 1 0 343.471 3.030 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@@H](n2nc(C3CC[NH2+]CC3)c3ccccc32)C1 ZINC001169043633 1384099464 /nfs/dbraw/zinc/09/94/64/1384099464.db2.gz HHJNMIIOFGVDDS-DZGCQCFKSA-N 1 0 328.416 3.121 20 5 EGBDRO CCOC(=O)CCC[N@H+](Cc1ccccc1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169050603 1384100743 /nfs/dbraw/zinc/10/07/43/1384100743.db2.gz BXKNGNVVWDVBAB-MSOLQXFVSA-N 1 0 348.443 3.277 20 5 EGBDRO COC(=O)[C@@H]1CC[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)[C@H](c2ccccc2)C1 ZINC001169047861 1384100828 /nfs/dbraw/zinc/10/08/28/1384100828.db2.gz SATIQOJKHFHZRD-DDBAPUKQSA-N 1 0 346.427 3.058 20 5 EGBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@](O)(c3ccccc3)C2)cc1F ZINC001328958230 1388909509 /nfs/dbraw/zinc/90/95/09/1388909509.db2.gz XTCSYQCRYAPPKE-GOSISDBHSA-N 1 0 330.359 3.218 20 5 EGBDRO COc1ccc(C[C@@H](C)NC(=[NH2+])c2ccc(F)c(F)c2)c([N+](=O)[O-])c1 ZINC001170295762 1384284319 /nfs/dbraw/zinc/28/43/19/1384284319.db2.gz DXPBAWXHAQULBZ-SNVBAGLBSA-N 1 0 349.337 3.428 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H]2COCc3ccccc32)c([N+](=O)[O-])c1 ZINC001170312094 1384288496 /nfs/dbraw/zinc/28/84/96/1384288496.db2.gz CSVBXBFCIQIZRB-FZKQIMNGSA-N 1 0 342.395 3.396 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+]C2CCC(CCO)CC2)c([N+](=O)[O-])c1 ZINC001170317910 1384289802 /nfs/dbraw/zinc/28/98/02/1384289802.db2.gz MBLIDXBWPLKRSJ-HLIUYOAVSA-N 1 0 336.432 3.065 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+][C@H](CO)c2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC001170327939 1384291910 /nfs/dbraw/zinc/29/19/10/1384291910.db2.gz SQWIDWPKBCNPME-RDTXWAMCSA-N 1 0 344.411 3.166 20 5 EGBDRO COc1ccc(C[C@@H](C)[N@@H+]2CC(C)(C)C[C@]2(C)CO)c([N+](=O)[O-])c1 ZINC001170335463 1384294777 /nfs/dbraw/zinc/29/47/77/1384294777.db2.gz OAHXJLYXUHYPRO-FZKQIMNGSA-N 1 0 336.432 3.017 20 5 EGBDRO CCOC(=O)C1=C(N=c2nc[nH]c3cc4ccccc4cc32)CC[NH2+]C1 ZINC001170516968 1384333422 /nfs/dbraw/zinc/33/34/22/1384333422.db2.gz ZKZGXECUSAKJRU-UHFFFAOYSA-N 1 0 348.406 3.005 20 5 EGBDRO O=[N+]([O-])c1cccnc1N[C@@H](Cc1ccccc1)C[NH+]1CCCC1 ZINC001170754086 1384379771 /nfs/dbraw/zinc/37/97/71/1384379771.db2.gz SVXZNBFELXBVBD-INIZCTEOSA-N 1 0 326.400 3.109 20 5 EGBDRO O=C(NCCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1ccccc1Cl ZINC001171814060 1384648357 /nfs/dbraw/zinc/64/83/57/1384648357.db2.gz ZEDSOLBDJBLGIN-UHFFFAOYSA-N 1 0 347.802 3.158 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]CCCc1ccncc1)CC2 ZINC001172897845 1384873570 /nfs/dbraw/zinc/87/35/70/1384873570.db2.gz CHSUZFIZKSGYQL-GOSISDBHSA-N 1 0 325.412 3.460 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]Cc1ccc3c(c1)OCO3)CC2 ZINC001172896233 1384873793 /nfs/dbraw/zinc/87/37/93/1384873793.db2.gz BYLHPJNBJDTIFR-INIZCTEOSA-N 1 0 340.379 3.361 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]C[C@H](O)c1ccccc1)CC2 ZINC001172898708 1384873978 /nfs/dbraw/zinc/87/39/78/1384873978.db2.gz NTKWRLGDUUOZPI-HKUYNNGSSA-N 1 0 326.396 3.165 20 5 EGBDRO NC(=[NH2+])N(c1ccccc1F)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172900791 1384874114 /nfs/dbraw/zinc/87/41/14/1384874114.db2.gz FQUUUMXMKCUKNI-AWEZNQCLSA-N 1 0 342.374 3.381 20 5 EGBDRO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172901389 1384874252 /nfs/dbraw/zinc/87/42/52/1384874252.db2.gz IALPISDKCFVYJD-NXHRZFHOSA-N 1 0 346.427 3.164 20 5 EGBDRO CC(C)(C[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1cnccn1 ZINC001172899898 1384874373 /nfs/dbraw/zinc/87/43/73/1384874373.db2.gz PQNFBQSRHIQKIF-INIZCTEOSA-N 1 0 340.427 3.200 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]C1CCC(CCO)CC1)CC2 ZINC001172904023 1384875184 /nfs/dbraw/zinc/87/51/84/1384875184.db2.gz VEMSAPDMDGMFHL-IUPXNIOVSA-N 1 0 332.444 3.373 20 5 EGBDRO [NH3+]CCc1cccc(N[C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)c1 ZINC001172905542 1384875534 /nfs/dbraw/zinc/87/55/34/1384875534.db2.gz RYONSJICISEWET-KRWDZBQOSA-N 1 0 325.412 3.456 20 5 EGBDRO Cc1ccc(F)c(C[NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)n1 ZINC001172912283 1384876037 /nfs/dbraw/zinc/87/60/37/1384876037.db2.gz MXTTVVJLDWXUDI-OAHLLOKOSA-N 1 0 329.375 3.475 20 5 EGBDRO COc1cncc(CC[NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)c1 ZINC001172912334 1384876119 /nfs/dbraw/zinc/87/61/19/1384876119.db2.gz NEUSVCUFUDCXAM-KRWDZBQOSA-N 1 0 341.411 3.078 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH+]1CC(Oc3cccnc3)C1)CC2 ZINC001172916488 1384877765 /nfs/dbraw/zinc/87/77/65/1384877765.db2.gz SCEIBLNXCVNABH-MRXNPFEDSA-N 1 0 339.395 3.000 20 5 EGBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH2+]Cc3ccccn3)CC2)c(F)c1 ZINC001173007700 1384897859 /nfs/dbraw/zinc/89/78/59/1384897859.db2.gz YDPZWIBFYQNNPV-UHFFFAOYSA-N 1 0 348.353 3.027 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]Cc2ccc(C)nc2)c1F ZINC001173177635 1384931852 /nfs/dbraw/zinc/93/18/52/1384931852.db2.gz WGZDUVNASFIVGH-LBPRGKRZSA-N 1 0 333.363 3.167 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@@H]2CCC[C@H](OC)C2)c1F ZINC001173185952 1384932955 /nfs/dbraw/zinc/93/29/55/1384932955.db2.gz QFSMYEBILCSSCH-XQQFMLRXSA-N 1 0 340.395 3.221 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CC[C@@H](OC(C)C)C2)c1F ZINC001173191064 1384934158 /nfs/dbraw/zinc/93/41/58/1384934158.db2.gz AADTZDFUUCAXCE-QWHCGFSZSA-N 1 0 340.395 3.173 20 5 EGBDRO COc1ccc(CC[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)cc1O ZINC001173214776 1384936855 /nfs/dbraw/zinc/93/68/55/1384936855.db2.gz PZJVCAYSQCZELF-ZDUSSCGKSA-N 1 0 330.384 3.072 20 5 EGBDRO COC(=O)c1ccc(C[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001173213940 1384936993 /nfs/dbraw/zinc/93/69/93/1384936993.db2.gz MEGIZGLGQIZFRV-CYBMUJFWSA-N 1 0 328.368 3.102 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CCN1C(=O)OC(C)(C)C ZINC001173217798 1384937745 /nfs/dbraw/zinc/93/77/45/1384937745.db2.gz MGJCWDSHYGXAQL-CJNGLKHVSA-N 1 0 349.431 3.125 20 5 EGBDRO CC(=O)Nc1ccc(CC[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001173221923 1384938391 /nfs/dbraw/zinc/93/83/91/1384938391.db2.gz RAVOJFDFMWYSDM-CQSZACIVSA-N 1 0 341.411 3.317 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC001173224436 1384939296 /nfs/dbraw/zinc/93/92/96/1384939296.db2.gz FVEWTDAZGIYARI-HNNXBMFYSA-N 1 0 341.411 3.054 20 5 EGBDRO CCOC(=O)C[C@@H]1CC[N@@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC001173237033 1384942142 /nfs/dbraw/zinc/94/21/42/1384942142.db2.gz GWHXNTJJWIPHSQ-INMHGKMJSA-N 1 0 348.443 3.437 20 5 EGBDRO CC(=O)N(CCC[NH2+]Cc1ccccc1[N+](=O)[O-])CC1CCCC1 ZINC001177174019 1385844440 /nfs/dbraw/zinc/84/44/40/1385844440.db2.gz ACWBPWFOBSHMHZ-UHFFFAOYSA-N 1 0 333.432 3.113 20 5 EGBDRO CS[C@@H]1CC[C@@H]([N@H+](C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC001319424140 1386115910 /nfs/dbraw/zinc/11/59/10/1386115910.db2.gz OGWFAQXCFUWRSP-ZIAGYGMSSA-N 1 0 348.428 3.361 20 5 EGBDRO COC(=O)CC(C)(C)[N@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001319557839 1386176912 /nfs/dbraw/zinc/17/69/12/1386176912.db2.gz QXGBYXNCPUHFIQ-UHFFFAOYSA-N 1 0 347.371 3.023 20 5 EGBDRO CS[C@H]1CC[C@H]([N@H+](C)Cn2nc(C)c3cc([N+](=O)[O-])ccc32)C1 ZINC001319748829 1386279176 /nfs/dbraw/zinc/27/91/76/1386279176.db2.gz CBONLMGNWWTNDP-JSGCOSHPSA-N 1 0 334.445 3.426 20 5 EGBDRO COC(=O)c1cccc(C[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC001321091583 1386807326 /nfs/dbraw/zinc/80/73/26/1386807326.db2.gz ZMTDLYPGGLCBFY-UHFFFAOYSA-N 1 0 348.786 3.367 20 5 EGBDRO Cc1ccc(C[N@@H+]2CCCN(c3ncc([N+](=O)[O-])s3)CC2)cc1 ZINC001321367413 1386886426 /nfs/dbraw/zinc/88/64/26/1386886426.db2.gz VFLOJCCDTIZSMP-UHFFFAOYSA-N 1 0 332.429 3.072 20 5 EGBDRO O=C(CC[NH2+][C@@H]1C[C@@H]1Cc1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC001336800303 1389171795 /nfs/dbraw/zinc/17/17/95/1389171795.db2.gz FLLQNQIIDLVFSJ-DOTOQJQBSA-N 1 0 339.395 3.144 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC001337008085 1389234905 /nfs/dbraw/zinc/23/49/05/1389234905.db2.gz RWEIRKNUCKIZAV-XOKHGSTOSA-N 1 0 345.443 3.026 20 5 EGBDRO [NH3+]C[C@@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)C1CCCCCC1 ZINC001340678659 1390343281 /nfs/dbraw/zinc/34/32/81/1390343281.db2.gz NQBGRRDIRGOZHB-GOSISDBHSA-N 1 0 345.443 3.025 20 5 EGBDRO C[NH2+]Cc1ccc(NC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC001340935673 1390408290 /nfs/dbraw/zinc/40/82/90/1390408290.db2.gz HQGKHVUBZKRZDA-SJORKVTESA-N 1 0 325.368 3.056 20 5 EGBDRO C[C@H]([NH2+]Cc1c(Br)cccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC001334056863 1390468807 /nfs/dbraw/zinc/46/88/07/1390468807.db2.gz KVFDOCAWOPAFDZ-QWRGUYRKSA-N 1 0 343.221 3.262 20 5 EGBDRO C[C@@H]([NH3+])c1ccc(C(=O)NC[C@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC001341317578 1390470176 /nfs/dbraw/zinc/47/01/76/1390470176.db2.gz KEBIGDQMUNUDOL-QWHCGFSZSA-N 1 0 327.384 3.148 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC001334129290 1390484492 /nfs/dbraw/zinc/48/44/92/1390484492.db2.gz OATRLXGBLXHPFS-CABCVRRESA-N 1 0 331.416 3.354 20 5 EGBDRO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Br)[C@H]1CCCOC1 ZINC001334772342 1390585431 /nfs/dbraw/zinc/58/54/31/1390585431.db2.gz NEGWDMRWZQLVGQ-QWRGUYRKSA-N 1 0 343.221 3.262 20 5 EGBDRO CCS[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC001334972329 1390627535 /nfs/dbraw/zinc/62/75/35/1390627535.db2.gz HFJATIDXAMZITK-TZMCWYRMSA-N 1 0 340.445 3.463 20 5 EGBDRO C[C@@H]1C[C@H](NC(=O)Nc2ccc([N+](=O)[O-])c3ccccc23)CC[N@@H+]1C ZINC001345939224 1390895377 /nfs/dbraw/zinc/89/53/77/1390895377.db2.gz MQTHVJIURBJRGA-CHWSQXEVSA-N 1 0 342.399 3.352 20 5 EGBDRO C[NH+](C)C1(CNc2cccc(C(F)(F)F)c2[N+](=O)[O-])CCOCC1 ZINC001349978688 1391394123 /nfs/dbraw/zinc/39/41/23/1391394123.db2.gz BRTGTUKQHSYODZ-UHFFFAOYSA-N 1 0 347.337 3.136 20 5 EGBDRO CC/C(C)=C/C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001753580293 1440440050 /nfs/dbraw/zinc/44/00/50/1440440050.db2.gz AKLWYOCDUBNHPV-SLIPRNNQSA-N 1 0 345.443 3.468 20 5 EGBDRO O=[N+]([O-])c1cccc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC001164627281 719064036 /nfs/dbraw/zinc/06/40/36/719064036.db2.gz QKSPBCIDMROWNS-IRXDYDNUSA-N 1 0 338.411 3.091 20 5 EGBDRO C[C@@H]1CN(c2nc3ccccc3c(Cl)c2[N+](=O)[O-])[C@@H](C)C[N@@H+]1C ZINC001164634215 719188629 /nfs/dbraw/zinc/18/86/29/719188629.db2.gz ITHQWEDBAKKMNC-MNOVXSKESA-N 1 0 334.807 3.325 20 5 EGBDRO c1cnc2c(c1)ccc1ccc(N3CC[NH+](C[C@@H]4CCCO4)CC3)nc12 ZINC001165040103 721904777 /nfs/dbraw/zinc/90/47/77/721904777.db2.gz YIRVLPRRTCJBMV-SFHVURJKSA-N 1 0 348.450 3.084 20 5 EGBDRO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000368475086 168361298 /nfs/dbraw/zinc/36/12/98/168361298.db2.gz UYRJREBAZLFWNO-HNNXBMFYSA-N 1 0 349.431 3.474 20 5 EGBDRO O=C(NC1CC[NH+](C2CCCCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000177233434 231833944 /nfs/dbraw/zinc/83/39/44/231833944.db2.gz CYZBRQBJZYPPDD-UHFFFAOYSA-N 1 0 331.416 3.122 20 5 EGBDRO Cc1ccc([C@H](C)NC(=O)c2ccc(C[NH+](C)C)cc2)cc1[N+](=O)[O-] ZINC000177856933 232013681 /nfs/dbraw/zinc/01/36/81/232013681.db2.gz XASSZRUSZZJGEG-AWEZNQCLSA-N 1 0 341.411 3.456 20 5 EGBDRO C[C@H](NC(=O)c1ccc([N+](=O)[O-])s1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181498606 234207465 /nfs/dbraw/zinc/20/74/65/234207465.db2.gz GLHPCQCELMZUHW-RYUDHWBXSA-N 1 0 337.445 3.039 20 5 EGBDRO Cc1cc(N2CCC[C@H](C3OCCO3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000181500815 234209538 /nfs/dbraw/zinc/20/95/38/234209538.db2.gz RIWNJWRWWPJHPP-ZDUSSCGKSA-N 1 0 343.383 3.041 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C)c1cccc(O)c1 ZINC000181571152 234236646 /nfs/dbraw/zinc/23/66/46/234236646.db2.gz XNXOLNWSJBHWID-ZDUSSCGKSA-N 1 0 343.383 3.288 20 5 EGBDRO C[N@@H+]1CC[C@@H]2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000352089141 283078654 /nfs/dbraw/zinc/07/86/54/283078654.db2.gz HRMGJQLEYQZBEV-QMTHXVAHSA-N 1 0 329.322 3.144 20 5 EGBDRO Cc1cc([C@@](C)(O)C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)c(C)o1 ZINC000183813975 235234141 /nfs/dbraw/zinc/23/41/41/235234141.db2.gz LCVZMMMVIUHDLL-INIZCTEOSA-N 1 0 338.791 3.455 20 5 EGBDRO Cc1ccc([C@H](C)NC(=O)CC2(C[NH3+])CCCCC2)cc1[N+](=O)[O-] ZINC000184217800 235336303 /nfs/dbraw/zinc/33/63/03/235336303.db2.gz CQHHARZVGKWEEE-AWEZNQCLSA-N 1 0 333.432 3.380 20 5 EGBDRO CCC[N@H+](Cc1c([N+](=O)[O-])ncn1C)[C@@H]1CCc2ccccc2C1 ZINC000355542055 283292091 /nfs/dbraw/zinc/29/20/91/283292091.db2.gz JKRNMBUESJIDNG-MRXNPFEDSA-N 1 0 328.416 3.098 20 5 EGBDRO CC[C@H](NC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000246723765 243301946 /nfs/dbraw/zinc/30/19/46/243301946.db2.gz WXKZYEWNLCYTFB-XOKHGSTOSA-N 1 0 348.447 3.028 20 5 EGBDRO CC(C)CC[NH+]1CCC(CNC(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000079653992 217247190 /nfs/dbraw/zinc/24/71/90/217247190.db2.gz QAWUQYIHCBAJQX-UHFFFAOYSA-N 1 0 339.461 3.144 20 5 EGBDRO Cc1c(C(=O)Nc2ccc(CC[NH+](C)C)cc2)cccc1[N+](=O)[O-] ZINC000263949455 245898033 /nfs/dbraw/zinc/89/80/33/245898033.db2.gz NFGPADRKKPQTRI-UHFFFAOYSA-N 1 0 327.384 3.260 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCC[C@@H]3C3CCC3)o2)cc1 ZINC000264036476 246000510 /nfs/dbraw/zinc/00/05/10/246000510.db2.gz QRIOJQYMGRSQLG-OAHLLOKOSA-N 1 0 328.372 3.409 20 5 EGBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CCC[C@@H](C)C1 ZINC000264941993 247068713 /nfs/dbraw/zinc/06/87/13/247068713.db2.gz SBUDBRQMKUZFCE-VXGBXAGGSA-N 1 0 339.823 3.098 20 5 EGBDRO CC(C)[C@H](CNc1ccc(C(N)=O)cc1[N+](=O)[O-])[NH+]1CCCCCC1 ZINC000012521558 211397835 /nfs/dbraw/zinc/39/78/35/211397835.db2.gz WWTCACSFRSLDCL-KRWDZBQOSA-N 1 0 348.447 3.006 20 5 EGBDRO COc1cc(C[N@@H+]2CCCC[C@H](SC)C2)c([N+](=O)[O-])cc1OC ZINC000092064121 218112815 /nfs/dbraw/zinc/11/28/15/218112815.db2.gz YJHORELNXQABBP-ZDUSSCGKSA-N 1 0 340.445 3.330 20 5 EGBDRO Cn1cc(C[N@H+]2C[C@@H]3[C@H](C2)C3(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093660982 218240412 /nfs/dbraw/zinc/24/04/12/218240412.db2.gz CZMXEWGETRBDKX-IYBDPMFKSA-N 1 0 326.400 3.083 20 5 EGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(N2CCCCC2=O)CC1 ZINC000268653094 252105564 /nfs/dbraw/zinc/10/55/64/252105564.db2.gz KCHJFRQUDPXAQA-AWEZNQCLSA-N 1 0 331.416 3.133 20 5 EGBDRO COc1ccccc1[C@@H](CC(C)C)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000181697680 532969463 /nfs/dbraw/zinc/96/94/63/532969463.db2.gz SVWRHELMQYSIOM-MRXNPFEDSA-N 1 0 332.404 3.177 20 5 EGBDRO O=[N+]([O-])c1ccn(C2CC[NH+]([C@H]3CCc4ccc(F)cc43)CC2)n1 ZINC000365520049 285167946 /nfs/dbraw/zinc/16/79/46/285167946.db2.gz XOYQYERHNXUBCA-INIZCTEOSA-N 1 0 330.363 3.255 20 5 EGBDRO Cc1cccnc1[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])C(C)C ZINC000118839265 221196032 /nfs/dbraw/zinc/19/60/32/221196032.db2.gz SXQBSIIGQQTRDV-QGZVFWFLSA-N 1 0 342.399 3.224 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000119667788 221372073 /nfs/dbraw/zinc/37/20/73/221372073.db2.gz UNPDNMKLWJTGII-HNNXBMFYSA-N 1 0 346.431 3.243 20 5 EGBDRO COc1ccc(C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000153696800 533549134 /nfs/dbraw/zinc/54/91/34/533549134.db2.gz QVVFURFMVJCCGW-IBGZPJMESA-N 1 0 342.395 3.301 20 5 EGBDRO C[N@H+](CCc1cccc(NC(=O)c2ccc([N+](=O)[O-])o2)c1)C1CC1 ZINC000341225802 141140696 /nfs/dbraw/zinc/14/06/96/141140696.db2.gz DNDYLECHGWMENE-UHFFFAOYSA-N 1 0 329.356 3.077 20 5 EGBDRO CCC1(C)CC[NH+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000344467182 141158498 /nfs/dbraw/zinc/15/84/98/141158498.db2.gz SQOHYUNJABHYGW-INIZCTEOSA-N 1 0 331.416 3.212 20 5 EGBDRO C[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000356235365 141325303 /nfs/dbraw/zinc/32/53/03/141325303.db2.gz SKVFJGDVVRZUKR-PXAZEXFGSA-N 1 0 345.374 3.155 20 5 EGBDRO C[C@@H]([NH2+]CCCNC(=O)c1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000173405975 144041123 /nfs/dbraw/zinc/04/11/23/144041123.db2.gz NSPSWURDBDTZHP-CYBMUJFWSA-N 1 0 345.374 3.205 20 5 EGBDRO COc1cc(C[NH2+][C@@H](CCO)C2CCCCC2)c([N+](=O)[O-])cc1F ZINC000184318046 144090883 /nfs/dbraw/zinc/09/08/83/144090883.db2.gz GTGRWPQUYWTNBC-HNNXBMFYSA-N 1 0 340.395 3.163 20 5 EGBDRO COc1cccc(NC[C@H](c2ccco2)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000185099293 144104656 /nfs/dbraw/zinc/10/46/56/144104656.db2.gz VPEUINBJHXZHOR-CQSZACIVSA-N 1 0 331.372 3.445 20 5 EGBDRO C[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000185941745 144122295 /nfs/dbraw/zinc/12/22/95/144122295.db2.gz WDKXURKCUGKSDV-GUYCJALGSA-N 1 0 342.399 3.408 20 5 EGBDRO CC[C@@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccccc1 ZINC000341220991 155211885 /nfs/dbraw/zinc/21/18/85/155211885.db2.gz OJLGNOZCZJLMLA-QGZVFWFLSA-N 1 0 339.395 3.225 20 5 EGBDRO CC[C@@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000341222618 155212003 /nfs/dbraw/zinc/21/20/03/155212003.db2.gz YEAHVHKWYDAYAH-SJLPKXTDSA-N 1 0 330.384 3.075 20 5 EGBDRO C[C@@H]1CCC[C@@H]([N@H+](C)CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000117335280 152094463 /nfs/dbraw/zinc/09/44/63/152094463.db2.gz WUEWNWJBQZWVGH-ZIAGYGMSSA-N 1 0 347.415 3.403 20 5 EGBDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000119372871 152200818 /nfs/dbraw/zinc/20/08/18/152200818.db2.gz VMMWBSQOXFCUOM-UHFFFAOYSA-N 1 0 345.374 3.285 20 5 EGBDRO C[C@H](CCO)[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000119625756 152218669 /nfs/dbraw/zinc/21/86/69/152218669.db2.gz QHALFUISNNLOHR-CQSZACIVSA-N 1 0 329.400 3.223 20 5 EGBDRO CCO[C@@H]1C[C@H]([N@H+](C)Cc2ccc(OC)c([N+](=O)[O-])c2)C12CCC2 ZINC000120811117 152301794 /nfs/dbraw/zinc/30/17/94/152301794.db2.gz YZSXXQCLPUQXMM-DLBZAZTESA-N 1 0 334.416 3.383 20 5 EGBDRO CNC(=O)c1ccc(C[N@H+](C)C/C=C/c2ccccc2[N+](=O)[O-])cc1 ZINC000121148913 152328806 /nfs/dbraw/zinc/32/88/06/152328806.db2.gz WPPSFKIEAKAQJT-FNORWQNLSA-N 1 0 339.395 3.100 20 5 EGBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)NC(=O)CO2 ZINC000193903160 153312199 /nfs/dbraw/zinc/31/21/99/153312199.db2.gz QTZYLOFMMMWRIY-NWDGAFQWSA-N 1 0 341.367 3.338 20 5 EGBDRO C[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1ccccc1 ZINC000303510644 154044930 /nfs/dbraw/zinc/04/49/30/154044930.db2.gz WWHKSZOVSPQWDO-CQSZACIVSA-N 1 0 342.399 3.237 20 5 EGBDRO CCn1nc(C)c([N+](=O)[O-])c1N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000336787066 154211779 /nfs/dbraw/zinc/21/17/79/154211779.db2.gz DGIAGLZRZAQSAD-GOEBONIOSA-N 1 0 343.431 3.195 20 5 EGBDRO CCc1ccc(C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000348906282 156283986 /nfs/dbraw/zinc/28/39/86/156283986.db2.gz AHRZSMGSUJZRGD-AWEZNQCLSA-N 1 0 333.432 3.152 20 5 EGBDRO [NH3+]CCN(CCSCc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000348925724 156289139 /nfs/dbraw/zinc/28/91/39/156289139.db2.gz XSSQZKRYBYXMHT-UHFFFAOYSA-N 1 0 331.441 3.293 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CC([C@@H]3CCOC3)C2)o1 ZINC000365564206 157172341 /nfs/dbraw/zinc/17/23/41/157172341.db2.gz VPBCWCQNKSVVFI-CYBMUJFWSA-N 1 0 328.368 3.323 20 5 EGBDRO Cc1ccc(F)c(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000093534237 162014611 /nfs/dbraw/zinc/01/46/11/162014611.db2.gz DPWHLDKBKHGVAZ-AWEZNQCLSA-N 1 0 330.363 3.124 20 5 EGBDRO COc1ccc(NC(=O)CC[NH2+][C@@H]2CC[C@H](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000248538691 163012320 /nfs/dbraw/zinc/01/23/20/163012320.db2.gz AEMLEUVAELKFJZ-KCQAQPDRSA-N 1 0 349.431 3.346 20 5 EGBDRO CO[C@H](C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1)c1ccccc1 ZINC000338549596 163270250 /nfs/dbraw/zinc/27/02/50/163270250.db2.gz VGZBRNRKHLMSTH-LJQANCHMSA-N 1 0 341.411 3.105 20 5 EGBDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNc2nc3sccn3c2[N+](=O)[O-])C1 ZINC000338913299 163383498 /nfs/dbraw/zinc/38/34/98/163383498.db2.gz QCYXIPRWZPHEIY-LLVKDONJSA-N 1 0 337.449 3.226 20 5 EGBDRO CC(C)Oc1ccc([C@@H](CNc2ccc([N+](=O)[O-])cn2)[NH+](C)C)cc1 ZINC000340909542 163692352 /nfs/dbraw/zinc/69/23/52/163692352.db2.gz IQBQYSJJHVEQIK-QGZVFWFLSA-N 1 0 344.415 3.492 20 5 EGBDRO C[C@@H]1[C@@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCCN1C ZINC000344327204 164157669 /nfs/dbraw/zinc/15/76/69/164157669.db2.gz OKVITXHJDULZOZ-WBMJQRKESA-N 1 0 346.456 3.291 20 5 EGBDRO C[C@H]1[C@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCCN1C ZINC000344332837 164158049 /nfs/dbraw/zinc/15/80/49/164158049.db2.gz ZTQGWWARVQVPIE-XJKSGUPXSA-N 1 0 329.400 3.427 20 5 EGBDRO COc1ccc(-c2ccc(C[N@@H+]3CCCOCC3)o2)c([N+](=O)[O-])c1 ZINC000352328620 165345260 /nfs/dbraw/zinc/34/52/60/165345260.db2.gz IMVSLAZFGXJIMC-UHFFFAOYSA-N 1 0 332.356 3.086 20 5 EGBDRO Cc1cc(NCC2=CC[N@H+](C)CC2)c(Br)cc1[N+](=O)[O-] ZINC000352362453 165364081 /nfs/dbraw/zinc/36/40/81/165364081.db2.gz VPCFGUUSWYQOTE-UHFFFAOYSA-N 1 0 340.221 3.340 20 5 EGBDRO Cc1cc(NC(=O)NCC[C@@H](C)[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000352878973 165547486 /nfs/dbraw/zinc/54/74/86/165547486.db2.gz VIQNHYGIYYZHPR-CQSZACIVSA-N 1 0 334.420 3.289 20 5 EGBDRO COc1cccc(N2CCC[C@H]([NH+]3[C@@H](C)CC[C@@H]3C)C2)c1[N+](=O)[O-] ZINC000355338989 166169400 /nfs/dbraw/zinc/16/94/00/166169400.db2.gz HMZGTKWNSQCQER-KKUMJFAQSA-N 1 0 333.432 3.445 20 5 EGBDRO C[N@H+](CCc1cnccn1)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000355364269 166175165 /nfs/dbraw/zinc/17/51/65/166175165.db2.gz KZTVPADHWFVLLX-UHFFFAOYSA-N 1 0 338.367 3.319 20 5 EGBDRO Cc1sc(C(=O)N(C)CC[NH+](C(C)C)C(C)C)cc1[N+](=O)[O-] ZINC000355856919 166329022 /nfs/dbraw/zinc/32/90/22/166329022.db2.gz DZPBQHJSCPSIKR-UHFFFAOYSA-N 1 0 327.450 3.156 20 5 EGBDRO Cc1cccc(NCC[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000358388884 166849452 /nfs/dbraw/zinc/84/94/52/166849452.db2.gz VXJVTQGXOJHAOS-QGZVFWFLSA-N 1 0 340.427 3.321 20 5 EGBDRO CCn1nc(C)c([N+](=O)[O-])c1N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000358957905 167018387 /nfs/dbraw/zinc/01/83/87/167018387.db2.gz WTBVBKUAPPMYJZ-GDBMZVCRSA-N 1 0 343.431 3.367 20 5 EGBDRO CCCN(CC[NH+](CC)CC)C(=O)c1ccc(CC)c([N+](=O)[O-])c1 ZINC000359464431 167164194 /nfs/dbraw/zinc/16/41/94/167164194.db2.gz ITQHFMMSRZSPNL-UHFFFAOYSA-N 1 0 335.448 3.351 20 5 EGBDRO CC[C@H]([NH2+]C[C@H](CO)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000360340305 167307056 /nfs/dbraw/zinc/30/70/56/167307056.db2.gz YGGOTWXQHNQFGH-APWZRJJASA-N 1 0 328.412 3.487 20 5 EGBDRO Cc1cccc(C)c1OCC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365889389 168056774 /nfs/dbraw/zinc/05/67/74/168056774.db2.gz XLSMYCIBVDURSF-UHFFFAOYSA-N 1 0 344.415 3.124 20 5 EGBDRO CC(=O)c1ccc(N[C@@H]2CN(C)Cc3ccccc32)c([N+](=O)[O-])c1 ZINC000366755317 168136006 /nfs/dbraw/zinc/13/60/06/168136006.db2.gz AEWKYZKFDHYCIL-QGZVFWFLSA-N 1 0 325.368 3.396 20 5 EGBDRO Cc1cc(N2CCC[N@@H+]3CCC[C@H]3C2)c2cccc([N+](=O)[O-])c2n1 ZINC000367582514 168244653 /nfs/dbraw/zinc/24/46/53/168244653.db2.gz LXZDZSSCIFDKRX-AWEZNQCLSA-N 1 0 326.400 3.126 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCN(CC(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000124245401 222399034 /nfs/dbraw/zinc/39/90/34/222399034.db2.gz VKSBJVRPDISSJV-QWHCGFSZSA-N 1 0 345.365 3.438 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000193731854 266057510 /nfs/dbraw/zinc/05/75/10/266057510.db2.gz YNHJYMBRRNJFMG-UHFFFAOYSA-N 1 0 343.383 3.096 20 5 EGBDRO CC[C@H](C)[N@H+](C)CCNc1ccc(Br)cc1[N+](=O)[O-] ZINC000227920246 266201014 /nfs/dbraw/zinc/20/10/14/266201014.db2.gz XYKBIDDCFUENEJ-JTQLQIEISA-N 1 0 330.226 3.500 20 5 EGBDRO C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@H](CO)C(C)(C)C ZINC000269661722 266335167 /nfs/dbraw/zinc/33/51/67/266335167.db2.gz OWESYYPKXAKKLR-MRXNPFEDSA-N 1 0 347.415 3.131 20 5 EGBDRO Cc1cnc(NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)c([N+](=O)[O-])c1 ZINC000269743468 266351106 /nfs/dbraw/zinc/35/11/06/266351106.db2.gz WQKXJNGPJBRNNE-AWEZNQCLSA-N 1 0 341.415 3.331 20 5 EGBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000271450910 266665221 /nfs/dbraw/zinc/66/52/21/266665221.db2.gz DOGUYVNHIKRJFG-DZGCQCFKSA-N 1 0 347.415 3.003 20 5 EGBDRO O=[N+]([O-])c1cnc(NCc2ccccc2C[NH+]2CCCCCC2)nc1 ZINC000273621559 267070242 /nfs/dbraw/zinc/07/02/42/267070242.db2.gz OSFLGPAHHITQRW-UHFFFAOYSA-N 1 0 341.415 3.373 20 5 EGBDRO Cc1cc(NC(=O)N2CCC([NH+]3CCCCC3)CC2)ccc1[N+](=O)[O-] ZINC000274818649 267291043 /nfs/dbraw/zinc/29/10/43/267291043.db2.gz OEFWLNBSRDFJPH-UHFFFAOYSA-N 1 0 346.431 3.385 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@H](CO)c1ccc(F)cc1)CCC2 ZINC000278160351 267952506 /nfs/dbraw/zinc/95/25/06/267952506.db2.gz AVCNPDQYPWPYGH-ZWKOTPCHSA-N 1 0 330.359 3.435 20 5 EGBDRO CC[N@H+](C)CCNc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] ZINC000278454415 268017492 /nfs/dbraw/zinc/01/74/92/268017492.db2.gz LVSFLWIQSLERAE-UHFFFAOYSA-N 1 0 342.268 3.008 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCc1cn3ccccc3n1)CCC2 ZINC000192645437 275037880 /nfs/dbraw/zinc/03/78/80/275037880.db2.gz UZTFQJPGFDVLCF-SFHVURJKSA-N 1 0 336.395 3.452 20 5 EGBDRO Cc1c(NC(=O)NC[C@@H](C)C[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000048053229 275144720 /nfs/dbraw/zinc/14/47/20/275144720.db2.gz IQUIFATWIPTVDD-CYBMUJFWSA-N 1 0 334.420 3.147 20 5 EGBDRO C[C@H]1C[C@H](Nc2ccc(Br)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000090795079 275153561 /nfs/dbraw/zinc/15/35/61/275153561.db2.gz KDRAIFBAPATJII-GXSJLCMTSA-N 1 0 328.210 3.252 20 5 EGBDRO C[NH+](C)C1CCN(c2ccc(Nc3ncc([N+](=O)[O-])s3)cc2)CC1 ZINC000192520915 275224187 /nfs/dbraw/zinc/22/41/87/275224187.db2.gz KILNYRGZESSBQT-UHFFFAOYSA-N 1 0 347.444 3.325 20 5 EGBDRO C[C@H]1CN(CCC[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCCO1 ZINC000278379269 275255832 /nfs/dbraw/zinc/25/58/32/275255832.db2.gz CXRCKPJZBHNEAY-HNAYVOBHSA-N 1 0 347.459 3.063 20 5 EGBDRO CC(C)(C)[S@@](=O)CC[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000278964418 275291682 /nfs/dbraw/zinc/29/16/82/275291682.db2.gz BPYWHFGXJVPRAU-CMJOXMDJSA-N 1 0 338.473 3.454 20 5 EGBDRO C[C@@]1(O)CCC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000279581922 275341636 /nfs/dbraw/zinc/34/16/36/275341636.db2.gz BRECPKOFIBCTAX-QGZVFWFLSA-N 1 0 347.440 3.455 20 5 EGBDRO CCOc1cc(C[NH2+][C@H]2CCCC23CCOCC3)ccc1[N+](=O)[O-] ZINC000282161301 275607621 /nfs/dbraw/zinc/60/76/21/275607621.db2.gz UHZFDBDYSXTKMN-KRWDZBQOSA-N 1 0 334.416 3.432 20 5 EGBDRO O=[N+]([O-])c1ccc2oc(C[NH2+][C@H]3CCCC34CCOCC4)nc2c1 ZINC000282219093 275612418 /nfs/dbraw/zinc/61/24/18/275612418.db2.gz YNDMOYWFGOVEDX-HNNXBMFYSA-N 1 0 331.372 3.175 20 5 EGBDRO CCS[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000284823305 275829106 /nfs/dbraw/zinc/82/91/06/275829106.db2.gz AFZYVVUDWZJBLR-CORIIIEPSA-N 1 0 337.445 3.186 20 5 EGBDRO CCOc1ccc(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1OC ZINC000285342063 275866320 /nfs/dbraw/zinc/86/63/20/275866320.db2.gz UWRAWGMUCQMMKM-LBPRGKRZSA-N 1 0 345.399 3.435 20 5 EGBDRO CC1(C)C[C@H]([NH2+][C@@H]2CC(=O)N3CCCC[C@@H]23)c2cc([N+](=O)[O-])ccc21 ZINC000338020476 275868772 /nfs/dbraw/zinc/86/87/72/275868772.db2.gz UHXFSIHKCAMREI-IKGGRYGDSA-N 1 0 343.427 3.060 20 5 EGBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000285721316 275906001 /nfs/dbraw/zinc/90/60/01/275906001.db2.gz ILKAGOCZUXMENH-WFASDCNBSA-N 1 0 343.383 3.040 20 5 EGBDRO CCC[C@@H]([NH2+]CCC(=O)N1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000178200723 276025368 /nfs/dbraw/zinc/02/53/68/276025368.db2.gz PHQURBTUNKBUGL-QGZVFWFLSA-N 1 0 333.432 3.428 20 5 EGBDRO CC(C)c1ccc(C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000187829208 276050730 /nfs/dbraw/zinc/05/07/30/276050730.db2.gz SYDXXKKUYUMUJU-CABCVRRESA-N 1 0 333.432 3.321 20 5 EGBDRO CC(C)Oc1ccncc1COC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000286943456 276061036 /nfs/dbraw/zinc/06/10/36/276061036.db2.gz MGBDBMGZPXVUFK-UHFFFAOYSA-N 1 0 330.340 3.063 20 5 EGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1COc2ccccc2[C@@H]1O ZINC000290476399 276500204 /nfs/dbraw/zinc/50/02/04/276500204.db2.gz XEYILAYXTJDTRC-AZOIQLNYSA-N 1 0 342.395 3.000 20 5 EGBDRO Cn1cc(CCC[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])cn1 ZINC000290838457 276548450 /nfs/dbraw/zinc/54/84/50/276548450.db2.gz IPFQMOJQZYZIFQ-UHFFFAOYSA-N 1 0 343.214 3.358 20 5 EGBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H]2CCN(c3ccccc3F)C2)c1 ZINC000291062277 276583073 /nfs/dbraw/zinc/58/30/73/276583073.db2.gz PNFXAKTYGXTWHK-OAHLLOKOSA-N 1 0 329.375 3.350 20 5 EGBDRO CC(C)N(CC[NH+](C)C)C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000291822667 276695983 /nfs/dbraw/zinc/69/59/83/276695983.db2.gz SGFQUIDSLMDKQZ-UHFFFAOYSA-N 1 0 348.230 3.314 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C1CCC(c2nc(C)no2)CC1 ZINC000292319413 276768794 /nfs/dbraw/zinc/76/87/94/276768794.db2.gz WNJCFKPFFMPCGP-UHFFFAOYSA-N 1 0 346.387 3.111 20 5 EGBDRO C[NH+](C)CC1(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CCCC1 ZINC000352616966 276780195 /nfs/dbraw/zinc/78/01/95/276780195.db2.gz ZPFCBIUSZHVFHT-UHFFFAOYSA-N 1 0 345.399 3.193 20 5 EGBDRO CC(C)c1ccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000190173813 278027386 /nfs/dbraw/zinc/02/73/86/278027386.db2.gz MWARWFFAVWFHRK-RDJZCZTQSA-N 1 0 345.443 3.275 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000120605981 281259085 /nfs/dbraw/zinc/25/90/85/281259085.db2.gz WRPJYNBOFQNWRD-HOTGVXAUSA-N 1 0 347.459 3.229 20 5 EGBDRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000357847844 302138556 /nfs/dbraw/zinc/13/85/56/302138556.db2.gz IKVYUELJQIQKTG-RDTXWAMCSA-N 1 0 341.411 3.324 20 5 EGBDRO Cc1c(NC(=O)NCC[N@@H+](C)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000054355497 307337889 /nfs/dbraw/zinc/33/78/89/307337889.db2.gz WYQSUJGIGJHCSR-UHFFFAOYSA-N 1 0 342.399 3.157 20 5 EGBDRO C[C@H](c1ccccc1F)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072665281 307381258 /nfs/dbraw/zinc/38/12/58/307381258.db2.gz JBMOTGUKOBXMFQ-OLZOCXBDSA-N 1 0 330.363 3.376 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H]3CCCC[C@H]3O)o2)cc1 ZINC000077465365 307412304 /nfs/dbraw/zinc/41/23/04/307412304.db2.gz OJUBYGRVYNLJFF-WMLDXEAASA-N 1 0 330.384 3.496 20 5 EGBDRO CC(C)(C)OC(=O)N[C@H](C[NH2+]Cc1csc([N+](=O)[O-])c1)C1CC1 ZINC000133706587 307676428 /nfs/dbraw/zinc/67/64/28/307676428.db2.gz PXZLBCIXDQWCGL-GFCCVEGCSA-N 1 0 341.433 3.049 20 5 EGBDRO CC[C@](C)(CO)[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000152164369 307747001 /nfs/dbraw/zinc/74/70/01/307747001.db2.gz HZCNHMFGUCYXTJ-QGZVFWFLSA-N 1 0 334.372 3.114 20 5 EGBDRO COc1ccc([C@H](CO)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000414196767 309066230 /nfs/dbraw/zinc/06/62/30/309066230.db2.gz WBUIMHXZWRUNKA-HOCLYGCPSA-N 1 0 344.411 3.339 20 5 EGBDRO C[C@H](C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)CC(F)(F)F ZINC000414275343 309070167 /nfs/dbraw/zinc/07/01/67/309070167.db2.gz WIXVCJVYQUILKU-SDDRHHMPSA-N 1 0 334.342 3.453 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@H](C)[C@@H]2CCCC[C@H]21 ZINC000248427508 308003012 /nfs/dbraw/zinc/00/30/12/308003012.db2.gz OSXXQLVMJNXVQZ-JLJPHGGASA-N 1 0 331.416 3.352 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CCCO[C@@H](CF)C3)o2)c1 ZINC000414475166 309082800 /nfs/dbraw/zinc/08/28/00/309082800.db2.gz GBJGRRKRWKBPSJ-INIZCTEOSA-N 1 0 334.347 3.415 20 5 EGBDRO CSc1ccc([C@@H](CNc2c([N+](=O)[O-])c(C)nn2C)[NH+](C)C)cc1 ZINC000294082927 308188630 /nfs/dbraw/zinc/18/86/30/308188630.db2.gz NVYLCFXSJFWARB-CQSZACIVSA-N 1 0 349.460 3.073 20 5 EGBDRO CC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H](O)C(C)C ZINC000414527007 309086367 /nfs/dbraw/zinc/08/63/67/309086367.db2.gz MCNUKBFDXYGVAB-JSGCOSHPSA-N 1 0 332.347 3.081 20 5 EGBDRO CC(C)c1nnc(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])[nH]1 ZINC000294700941 308247523 /nfs/dbraw/zinc/24/75/23/308247523.db2.gz DAYKBCRHCHKQHE-UKRRQHHQSA-N 1 0 343.431 3.337 20 5 EGBDRO CC[C@@H](C)[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)OC ZINC000294749790 308252959 /nfs/dbraw/zinc/25/29/59/308252959.db2.gz ICUUXTKVTNWEJK-DYVFJYSZSA-N 1 0 346.431 3.146 20 5 EGBDRO C[C@H](CCCO)C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000294805616 308259142 /nfs/dbraw/zinc/25/91/42/308259142.db2.gz NJTURAQIMFPYLA-GFCCVEGCSA-N 1 0 335.429 3.217 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCC(=O)N[C@H]1c1ccccc1 ZINC000414558778 309089205 /nfs/dbraw/zinc/08/92/05/309089205.db2.gz ZNWNUFFXZVYXKB-MJGOQNOKSA-N 1 0 339.395 3.013 20 5 EGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000295079373 308288993 /nfs/dbraw/zinc/28/89/93/308288993.db2.gz BAFMRXGOAFGZJI-KGLIPLIRSA-N 1 0 333.432 3.269 20 5 EGBDRO COc1cc(C[NH2+]C[C@H]2CCCCC2(F)F)c([N+](=O)[O-])cc1O ZINC000295141106 308296317 /nfs/dbraw/zinc/29/63/17/308296317.db2.gz PWMYNVVJRHYNAH-LLVKDONJSA-N 1 0 330.331 3.224 20 5 EGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC[C@H](C)CCO ZINC000297388508 308529398 /nfs/dbraw/zinc/52/93/98/308529398.db2.gz RQLPXFQEQIBQOW-KBPBESRZSA-N 1 0 326.462 3.464 20 5 EGBDRO CN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C1CC([NH3+])C1 ZINC000414782224 309100908 /nfs/dbraw/zinc/10/09/08/309100908.db2.gz XHCIUCCOTPHMIB-UHFFFAOYSA-N 1 0 335.791 3.430 20 5 EGBDRO COCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000299242641 308667362 /nfs/dbraw/zinc/66/73/62/308667362.db2.gz NIEZKEYAEHJSBD-UHFFFAOYSA-N 1 0 347.337 3.136 20 5 EGBDRO COc1cc(NC[C@@H](c2ccc(F)cc2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000301329320 308696631 /nfs/dbraw/zinc/69/66/31/308696631.db2.gz AUROZFFONBQQPE-INIZCTEOSA-N 1 0 333.363 3.457 20 5 EGBDRO Cc1cc(N2CCN(c3cc[nH+]cc3)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000301992980 308724484 /nfs/dbraw/zinc/72/44/84/308724484.db2.gz GNJWPMMAKIGAOC-UHFFFAOYSA-N 1 0 349.394 3.173 20 5 EGBDRO C[NH+](C)[C@H](CNc1c2c(ccc1[N+](=O)[O-])NCC2)c1cccs1 ZINC000302468936 308737632 /nfs/dbraw/zinc/73/76/32/308737632.db2.gz TVLYVMJSLUAKDE-CQSZACIVSA-N 1 0 332.429 3.339 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000331425624 308806450 /nfs/dbraw/zinc/80/64/50/308806450.db2.gz QWMSPTKBTCWJTR-PBHICJAKSA-N 1 0 346.431 3.289 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H]1[C@H](C)CCC[C@@H]1C ZINC000411444612 308939232 /nfs/dbraw/zinc/93/92/32/308939232.db2.gz KROVNUIZNKYWCC-MCBXIFIFSA-N 1 0 349.431 3.346 20 5 EGBDRO CC(C)(C)[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000411517848 308942551 /nfs/dbraw/zinc/94/25/51/308942551.db2.gz HCHSTLWSZHOVGA-DLBZAZTESA-N 1 0 345.443 3.077 20 5 EGBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])cc2F)C1 ZINC000413064235 309014157 /nfs/dbraw/zinc/01/41/57/309014157.db2.gz BTJXNAYJMFEKKE-GXTWGEPZSA-N 1 0 330.363 3.376 20 5 EGBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2c2ccc([N+](=O)[O-])c3ncccc23)C1 ZINC000413192391 309020654 /nfs/dbraw/zinc/02/06/54/309020654.db2.gz IQDMLFFQTKNRDW-ZFWWWQNUSA-N 1 0 326.400 3.064 20 5 EGBDRO C[N@@H+]1CCC[C@H](CCNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000413442291 309032187 /nfs/dbraw/zinc/03/21/87/309032187.db2.gz QIOHUIXVHYQTMD-SNVBAGLBSA-N 1 0 332.326 3.152 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000415303747 309130536 /nfs/dbraw/zinc/13/05/36/309130536.db2.gz VFQYPDBOYSLURF-AWEZNQCLSA-N 1 0 334.420 3.111 20 5 EGBDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000415434341 309133330 /nfs/dbraw/zinc/13/33/30/309133330.db2.gz HPCYRJQHDIOGJX-RKDXNWHRSA-N 1 0 346.309 3.005 20 5 EGBDRO C[NH2+]Cc1ccc(NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000415978677 309152505 /nfs/dbraw/zinc/15/25/05/309152505.db2.gz CGQQXWHSBFIFQR-UHFFFAOYSA-N 1 0 342.399 3.021 20 5 EGBDRO CN(C(=O)c1cc2cc([N+](=O)[O-])ccc2o1)C(C)(C)C[NH+]1CCCC1 ZINC000416093149 309158139 /nfs/dbraw/zinc/15/81/39/309158139.db2.gz JJWLMWTYNXHJFD-UHFFFAOYSA-N 1 0 345.399 3.287 20 5 EGBDRO O=C1CCCCN1CCC[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417304467 309201035 /nfs/dbraw/zinc/20/10/35/309201035.db2.gz FLLYHLOJTCBSEM-GOSISDBHSA-N 1 0 345.443 3.355 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCn3ccnc3C1)CCCC2 ZINC000417342313 309202380 /nfs/dbraw/zinc/20/23/80/309202380.db2.gz MMVACXRRAVBADU-PBHICJAKSA-N 1 0 326.400 3.163 20 5 EGBDRO CC1(C)C[C@H]([NH2+][C@H]2CCN(CC(F)F)C2)c2cc([N+](=O)[O-])ccc21 ZINC000417381086 309203719 /nfs/dbraw/zinc/20/37/19/309203719.db2.gz IBSORWVYUCWLHP-NHYWBVRUSA-N 1 0 339.386 3.246 20 5 EGBDRO CC[C@@H](NC(=O)NC[C@@H]([NH3+])c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000417846343 309224920 /nfs/dbraw/zinc/22/49/20/309224920.db2.gz JEQCPAPSWQLXPN-IAGOWNOFSA-N 1 0 342.399 3.045 20 5 EGBDRO COc1ccc(-c2ccc(C[NH2+]CC3(N(C)C)CC3)o2)c([N+](=O)[O-])c1 ZINC000418118100 309236196 /nfs/dbraw/zinc/23/61/96/309236196.db2.gz VGQNCOWQSJFZJX-UHFFFAOYSA-N 1 0 345.399 3.047 20 5 EGBDRO C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1CCC[C@H]1C(C)(C)C ZINC000419337977 309264855 /nfs/dbraw/zinc/26/48/55/309264855.db2.gz RPQUIVTTWUBUGI-CABCVRRESA-N 1 0 333.432 3.340 20 5 EGBDRO CN(C[C@@H]1CCC[N@@H+]1C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000420632108 309290918 /nfs/dbraw/zinc/29/09/18/309290918.db2.gz HNRSTXPZGJOPFY-AWEZNQCLSA-N 1 0 332.429 3.249 20 5 EGBDRO CC[C@H]1C[NH+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@H](CC)O1 ZINC000420958577 309304321 /nfs/dbraw/zinc/30/43/21/309304321.db2.gz PJXKLNDMUUMUHA-GJZGRUSLSA-N 1 0 349.431 3.121 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC1CCC([NH+](C)C)CC1 ZINC000421073570 309311793 /nfs/dbraw/zinc/31/17/93/309311793.db2.gz VQGOEQJWQIHWML-UHFFFAOYSA-N 1 0 334.420 3.206 20 5 EGBDRO CCCN(CC[NH+]1CCCC1)C(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000421544019 309329108 /nfs/dbraw/zinc/32/91/08/309329108.db2.gz QFTDLFVGHCRPMV-UHFFFAOYSA-N 1 0 333.432 3.160 20 5 EGBDRO C[C@H](NC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000422989498 309379721 /nfs/dbraw/zinc/37/97/21/309379721.db2.gz LZIQBPMNRVJUMN-GUYCJALGSA-N 1 0 341.411 3.498 20 5 EGBDRO Cc1ccc([C@H](C)NC(=O)c2ccc([C@H](C)[NH3+])cc2)cc1[N+](=O)[O-] ZINC000423284536 309393970 /nfs/dbraw/zinc/39/39/70/309393970.db2.gz WVFCNGHVDUXYHZ-STQMWFEESA-N 1 0 327.384 3.414 20 5 EGBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH+](C1CCC1)C1CCC1 ZINC000429151269 309572402 /nfs/dbraw/zinc/57/24/02/309572402.db2.gz MQLTWJAQCLVFDS-UHFFFAOYSA-N 1 0 345.399 3.300 20 5 EGBDRO CC(C)(CO)[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000429704469 309587976 /nfs/dbraw/zinc/58/79/76/309587976.db2.gz VWESXAFQKFJGBE-SFHVURJKSA-N 1 0 344.411 3.323 20 5 EGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@H]2CCC(F)(F)C2)n1 ZINC000430742347 309616604 /nfs/dbraw/zinc/61/66/04/309616604.db2.gz WETAZUFABIXCAW-RWMBFGLXSA-N 1 0 328.363 3.300 20 5 EGBDRO C[C@H]([NH3+])[C@H]1CCCCN1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000435387615 309731357 /nfs/dbraw/zinc/73/13/57/309731357.db2.gz BLHPWSCYHYHNKS-BLLLJJGKSA-N 1 0 346.456 3.420 20 5 EGBDRO O=[N+]([O-])c1ccccc1CN(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000435614758 309736284 /nfs/dbraw/zinc/73/62/84/309736284.db2.gz FODIEWUSWBUPFO-GOSISDBHSA-N 1 0 340.427 3.134 20 5 EGBDRO CC[NH+](CC)CCCNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437940894 309803729 /nfs/dbraw/zinc/80/37/29/309803729.db2.gz KNZYAMNOBBZLGC-UHFFFAOYSA-N 1 0 347.337 3.075 20 5 EGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCc1ccc2c(c1)OCCO2 ZINC000449061010 310033975 /nfs/dbraw/zinc/03/39/75/310033975.db2.gz HEDYSYHXOGYAAQ-CQSZACIVSA-N 1 0 342.395 3.129 20 5 EGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1nccn1CC(F)(F)F ZINC000449114689 310038145 /nfs/dbraw/zinc/03/81/45/310038145.db2.gz DONDCMPPOLTFCM-NSHDSACASA-N 1 0 342.321 3.074 20 5 EGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCNC(=O)CC1CCCCC1 ZINC000449143898 310039959 /nfs/dbraw/zinc/03/99/59/310039959.db2.gz YDFZNFADWGGPHS-HNNXBMFYSA-N 1 0 347.459 3.202 20 5 EGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCOc1ccc(Cl)cn1 ZINC000449185283 310042961 /nfs/dbraw/zinc/04/29/61/310042961.db2.gz NQBRKJMTVYMEMG-LBPRGKRZSA-N 1 0 335.791 3.243 20 5 EGBDRO CC(C)(C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)c1ccccc1[N+](=O)[O-] ZINC000449187212 310043231 /nfs/dbraw/zinc/04/32/31/310043231.db2.gz IQANJGYKGHYQFS-UHFFFAOYSA-N 1 0 347.459 3.298 20 5 EGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCO[C@@H]1c1ccncc1 ZINC000449263025 310048515 /nfs/dbraw/zinc/04/85/15/310048515.db2.gz JKIJAHDGVJRXMI-UCLAIMLFSA-N 1 0 341.411 3.431 20 5 EGBDRO Cc1csc(C[NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000449481794 310065639 /nfs/dbraw/zinc/06/56/39/310065639.db2.gz VTONRXJNPPPEFS-LBPRGKRZSA-N 1 0 333.413 3.472 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000449578289 310073401 /nfs/dbraw/zinc/07/34/01/310073401.db2.gz KAMZPBOUUHVKKZ-MYZZLAAOSA-N 1 0 332.444 3.447 20 5 EGBDRO CC[C@H]([NH3+])CNC(=O)c1ccc(SCCC(C)C)c([N+](=O)[O-])c1 ZINC000449603208 310074918 /nfs/dbraw/zinc/07/49/18/310074918.db2.gz VJRRGMSEFLLNJC-ZDUSSCGKSA-N 1 0 339.461 3.200 20 5 EGBDRO CC[NH+](CC)C[C@@H]1CCN(c2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000450364879 310118076 /nfs/dbraw/zinc/11/80/76/310118076.db2.gz ZILIGPDKAKTXJY-AWEZNQCLSA-N 1 0 328.416 3.311 20 5 EGBDRO CC[N@H+](CCC1CCN(c2ncc([N+](=O)[O-])c(C)n2)CC1)CC1CC1 ZINC000450416943 310121209 /nfs/dbraw/zinc/12/12/09/310121209.db2.gz ICYXHRCEKNWGEQ-UHFFFAOYSA-N 1 0 347.463 3.032 20 5 EGBDRO Cc1ccc(C)c(OC[C@H](O)C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000451097398 310160350 /nfs/dbraw/zinc/16/03/50/310160350.db2.gz DRAWINVTNJDBDB-MAUKXSAKSA-N 1 0 344.411 3.302 20 5 EGBDRO CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000451099718 310160457 /nfs/dbraw/zinc/16/04/57/310160457.db2.gz NAHHXZBTQPQHTO-OFQRWUPVSA-N 1 0 333.432 3.425 20 5 EGBDRO CC(C)n1nccc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000451103676 310160738 /nfs/dbraw/zinc/16/07/38/310160738.db2.gz IVQYDKPGQUDWRD-QWHCGFSZSA-N 1 0 345.403 3.050 20 5 EGBDRO Cc1cc([C@@H](C)[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)ccc1F ZINC000451164937 310163568 /nfs/dbraw/zinc/16/35/68/310163568.db2.gz TVCYPHKQOWXEFA-CJNGLKHVSA-N 1 0 348.374 3.133 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2nnc(C[NH2+][C@H]3CCC34CCCC4)o2)cc1 ZINC000451467576 310179737 /nfs/dbraw/zinc/17/97/37/310179737.db2.gz JGBONSAMXIUJSQ-AWEZNQCLSA-N 1 0 328.372 3.457 20 5 EGBDRO CO[C@@]1(C)C[C@H]([NH2+]CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1(C)C ZINC000451492198 310181022 /nfs/dbraw/zinc/18/10/22/310181022.db2.gz QKSXJCPZHBWLFY-YJBOKZPZSA-N 1 0 349.431 3.025 20 5 EGBDRO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000451590007 310188044 /nfs/dbraw/zinc/18/80/44/310188044.db2.gz JRHOYIQMIPNOFO-MFKMUULPSA-N 1 0 326.780 3.070 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)cc1 ZINC000451621036 310189739 /nfs/dbraw/zinc/18/97/39/310189739.db2.gz TZEXWLIRNCONBP-MSOLQXFVSA-N 1 0 330.428 3.418 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1C[C@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1 ZINC000452055975 310209581 /nfs/dbraw/zinc/20/95/81/310209581.db2.gz VNRHMLYSLDSYCW-MMMWYMCRSA-N 1 0 343.427 3.210 20 5 EGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)Cc1cnn(C)c1 ZINC000453364593 310273109 /nfs/dbraw/zinc/27/31/09/310273109.db2.gz VISCDWJRSFCZMY-HIFRSBDPSA-N 1 0 348.472 3.420 20 5 EGBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCOCC1CCCC1 ZINC000453384042 310274109 /nfs/dbraw/zinc/27/41/09/310274109.db2.gz CFXPJNRZOPOGBF-CQSZACIVSA-N 1 0 349.431 3.108 20 5 EGBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCOCC2CCCC2)n1 ZINC000453384311 310274145 /nfs/dbraw/zinc/27/41/45/310274145.db2.gz CSPMIRLCRNETMA-CVEARBPZSA-N 1 0 336.436 3.071 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC(C)(C)C[NH+]1CCCC1 ZINC000455474621 310362439 /nfs/dbraw/zinc/36/24/39/310362439.db2.gz VLNDEVITOISMCK-UHFFFAOYSA-N 1 0 334.420 3.153 20 5 EGBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)C[NH+](CC)CC ZINC000462997188 310608125 /nfs/dbraw/zinc/60/81/25/310608125.db2.gz SUNLDRNWZWBISC-ZBFHGGJFSA-N 1 0 335.448 3.010 20 5 EGBDRO Cc1cccc(C[C@H](CO)[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])c1 ZINC000466891650 310662440 /nfs/dbraw/zinc/66/24/40/310662440.db2.gz SRXLCANGVVZNQP-JIGZGPPQSA-N 1 0 326.396 3.110 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H](CO)Cc1ccc(C)cc1 ZINC000468610025 310691204 /nfs/dbraw/zinc/69/12/04/310691204.db2.gz RSMYNXWSCKQHPU-LZOLKVDOSA-N 1 0 340.423 3.500 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCCN(C)CC(F)(F)F ZINC000468639940 310691273 /nfs/dbraw/zinc/69/12/73/310691273.db2.gz UYWNVMUJLGEHSU-UKTHLTGXSA-N 1 0 345.365 3.472 20 5 EGBDRO C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000481123713 310906748 /nfs/dbraw/zinc/90/67/48/310906748.db2.gz QRNYFIWDORGHNL-CZUORRHYSA-N 1 0 345.443 3.288 20 5 EGBDRO COc1ccc(C[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cn1 ZINC000487151174 311012435 /nfs/dbraw/zinc/01/24/35/311012435.db2.gz CHUASLWONRJHAX-UHFFFAOYSA-N 1 0 341.289 3.307 20 5 EGBDRO CCN1C[C@@H](C)[C@H]([NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000487208191 311015975 /nfs/dbraw/zinc/01/59/75/311015975.db2.gz HCVBLOAVAVZZTD-QMTHXVAHSA-N 1 0 331.338 3.043 20 5 EGBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(c2c3ccccc3ncc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488715989 311076128 /nfs/dbraw/zinc/07/61/28/311076128.db2.gz QEIXLDLMAJJCRZ-GRDNDAEWSA-N 1 0 340.427 3.310 20 5 EGBDRO CCOc1cccc(N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000488752376 311078393 /nfs/dbraw/zinc/07/83/93/311078393.db2.gz KLCCADDBJJLFQR-OFQRWUPVSA-N 1 0 333.432 3.160 20 5 EGBDRO Cc1cn2c(n1)[C@@H](C[NH2+][C@H]1CCc3c1cccc3[N+](=O)[O-])CCC2 ZINC000515433168 312282847 /nfs/dbraw/zinc/28/28/47/312282847.db2.gz QAZYTJJVWUPYKK-CJNGLKHVSA-N 1 0 326.400 3.254 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N(CC[NH+](C)C)CC(C)C ZINC000516354382 312321113 /nfs/dbraw/zinc/32/11/13/312321113.db2.gz MDUFEQNXKPAYSA-UHFFFAOYSA-N 1 0 336.436 3.209 20 5 EGBDRO Cc1ccc([C@H](C)C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000516454479 312324316 /nfs/dbraw/zinc/32/43/16/312324316.db2.gz RPWIOXGMVMIEMV-QAPCUYQASA-N 1 0 344.411 3.036 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H](N3CCCC3=O)C2)cc1[N+](=O)[O-] ZINC000517246683 312371736 /nfs/dbraw/zinc/37/17/36/312371736.db2.gz FBFDYBJXIFNULA-BHYGNILZSA-N 1 0 345.443 3.487 20 5 EGBDRO CC[NH+](CC)CCN(CC(C)C)C(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000533497405 313912306 /nfs/dbraw/zinc/91/23/06/313912306.db2.gz ZHRMYSLJWLJLMQ-UHFFFAOYSA-N 1 0 349.475 3.272 20 5 EGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(OC[C@@H]2CCOC2)CC1 ZINC000536372191 314109346 /nfs/dbraw/zinc/10/93/46/314109346.db2.gz VWZDEHOBCHOVIJ-HUUCEWRRSA-N 1 0 334.416 3.173 20 5 EGBDRO COC(=O)[C@H](c1ccccc1)N(C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000536683301 314138108 /nfs/dbraw/zinc/13/81/08/314138108.db2.gz VLBIYASHRNWNCH-QCSXQHJISA-N 1 0 340.379 3.454 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1cccnc1-n1cccn1 ZINC000537767688 314207615 /nfs/dbraw/zinc/20/76/15/314207615.db2.gz OMLHAUVEQGEZPB-CQSZACIVSA-N 1 0 337.383 3.335 20 5 EGBDRO CCc1ccc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)s1 ZINC000538738568 314270888 /nfs/dbraw/zinc/27/08/88/314270888.db2.gz DSAXTSIRVHAGDH-GFCCVEGCSA-N 1 0 332.429 3.300 20 5 EGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](O)CCc1ccccc1 ZINC000542488192 314550646 /nfs/dbraw/zinc/55/06/46/314550646.db2.gz NJGCMZGLPBKXRP-APWZRJJASA-N 1 0 342.439 3.499 20 5 EGBDRO COc1cc(C)cc(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000565536232 316337120 /nfs/dbraw/zinc/33/71/20/316337120.db2.gz ZBQHRGDGPVSPOV-UHFFFAOYSA-N 1 0 343.383 3.030 20 5 EGBDRO Cc1cccc(OCC[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000570514462 317067115 /nfs/dbraw/zinc/06/71/15/317067115.db2.gz JKWZHRQMFVHYHF-IRXDYDNUSA-N 1 0 344.415 3.252 20 5 EGBDRO CC(C)Oc1nc(N2CCC[C@H]2C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000570645514 317087168 /nfs/dbraw/zinc/08/71/68/317087168.db2.gz HHGBCHGXEWOTKF-HNNXBMFYSA-N 1 0 348.447 3.232 20 5 EGBDRO C[C@H](Cc1cccs1)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000571874640 317260223 /nfs/dbraw/zinc/26/02/23/317260223.db2.gz BNNMAVFUOYTZAC-GFCCVEGCSA-N 1 0 333.413 3.206 20 5 EGBDRO CCN(C(=O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000180435426 323439716 /nfs/dbraw/zinc/43/97/16/323439716.db2.gz SHBZADFEZNEIIG-CQSZACIVSA-N 1 0 333.432 3.427 20 5 EGBDRO C[C@@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CCCCC1 ZINC000182694176 323570392 /nfs/dbraw/zinc/57/03/92/323570392.db2.gz HXEDRCKTVIXRSP-CYBMUJFWSA-N 1 0 331.416 3.042 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C)C1CCCCC1 ZINC000182707560 323571441 /nfs/dbraw/zinc/57/14/41/323571441.db2.gz PHAFXLVKFFVLHL-ZDUSSCGKSA-N 1 0 349.431 3.490 20 5 EGBDRO Cc1nn(C)c(NCC2([N@H+](C)Cc3ccccc3)CCC2)c1[N+](=O)[O-] ZINC000386803190 324268751 /nfs/dbraw/zinc/26/87/51/324268751.db2.gz QLXHPCGIAYCDGR-UHFFFAOYSA-N 1 0 343.431 3.103 20 5 EGBDRO CCOc1ccccc1C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000580709439 325286823 /nfs/dbraw/zinc/28/68/23/325286823.db2.gz AHYQSQWIFYVZNW-UHFFFAOYSA-N 1 0 343.383 3.112 20 5 EGBDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000581344693 325352817 /nfs/dbraw/zinc/35/28/17/325352817.db2.gz NJBBIKAEAJQSSR-CRAIPNDOSA-N 1 0 347.459 3.325 20 5 EGBDRO C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc(-c2ccncc2)cc1 ZINC000180885973 455260380 /nfs/dbraw/zinc/26/03/80/455260380.db2.gz QZGYARBTXGWKNB-AWEZNQCLSA-N 1 0 337.383 3.204 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3CCC[C@H]3CCO)o2)cc1 ZINC000189978166 455264923 /nfs/dbraw/zinc/26/49/23/455264923.db2.gz CPRRZANJKPCGNP-GUYCJALGSA-N 1 0 330.384 3.496 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@@H](Oc3cccc(F)c3)C2)cc1 ZINC000612174567 460561720 /nfs/dbraw/zinc/56/17/20/460561720.db2.gz IBRMZWFAJOHQMY-GOSISDBHSA-N 1 0 330.359 3.430 20 5 EGBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000600725789 460580781 /nfs/dbraw/zinc/58/07/81/460580781.db2.gz KFIBQPZZSKMNAI-MDZLAQPJSA-N 1 0 331.338 3.115 20 5 EGBDRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000008118434 453162635 /nfs/dbraw/zinc/16/26/35/453162635.db2.gz UYYZQLDFRCVQQQ-CHWSQXEVSA-N 1 0 343.383 3.281 20 5 EGBDRO C[NH2+]CC1(c2ccc(-c3ccc(C(=O)OC)cc3[N+](=O)[O-])cc2)CC1 ZINC000600784457 460603525 /nfs/dbraw/zinc/60/35/25/460603525.db2.gz JVZJQJUNTOJOPX-UHFFFAOYSA-N 1 0 340.379 3.299 20 5 EGBDRO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1 ZINC000015131490 453558232 /nfs/dbraw/zinc/55/82/32/453558232.db2.gz IELPIFXCSQAYLJ-MRXNPFEDSA-N 1 0 330.344 3.218 20 5 EGBDRO O=[N+]([O-])c1ccc(NC[C@H](c2ccco2)[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000015171805 453560926 /nfs/dbraw/zinc/56/09/26/453560926.db2.gz DQBLNEQWTYHSOF-OAHLLOKOSA-N 1 0 346.343 3.345 20 5 EGBDRO Cc1cc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000017702279 453637702 /nfs/dbraw/zinc/63/77/02/453637702.db2.gz CVIMFYGQOJQTIR-INIZCTEOSA-N 1 0 343.383 3.063 20 5 EGBDRO Cc1c(C(=O)NCCC[N@@H+](C)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000018232658 453649893 /nfs/dbraw/zinc/64/98/93/453649893.db2.gz BLHAVQULCFXDMC-UHFFFAOYSA-N 1 0 341.411 3.155 20 5 EGBDRO O=C(C[N@@H+]1CCC[C@@H]1Cc1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000025439700 453772729 /nfs/dbraw/zinc/77/27/29/453772729.db2.gz SLHFEWPNIBXUHL-MRXNPFEDSA-N 1 0 339.395 3.240 20 5 EGBDRO CCOc1ccc(NC(=O)C[N@H+](C)[C@@H]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000026468311 453800633 /nfs/dbraw/zinc/80/06/33/453800633.db2.gz HAEHLXYZFFSFPV-ZIAGYGMSSA-N 1 0 349.431 3.443 20 5 EGBDRO Cn1cc([N+](=O)[O-])cc1C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000027141575 453811941 /nfs/dbraw/zinc/81/19/41/453811941.db2.gz DAXFTSUOOXHJKR-UHFFFAOYSA-N 1 0 342.399 3.172 20 5 EGBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000027753987 453820150 /nfs/dbraw/zinc/82/01/50/453820150.db2.gz NXLGLBLWKNAWGA-LBPRGKRZSA-N 1 0 347.440 3.414 20 5 EGBDRO CC[NH+](CC)[C@@H](CNC(=O)c1ccccc1[N+](=O)[O-])c1ccco1 ZINC000067275972 453916733 /nfs/dbraw/zinc/91/67/33/453916733.db2.gz UMYUUVBVGJOANF-HNNXBMFYSA-N 1 0 331.372 3.001 20 5 EGBDRO CCCC(=O)NC[C@@H]1CCC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000075683467 453918645 /nfs/dbraw/zinc/91/86/45/453918645.db2.gz XCUCQNCBTNREOB-GJZGRUSLSA-N 1 0 333.432 3.284 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCC[C@@H]4CCC[C@@H]43)o2)cc1 ZINC000075769100 453925082 /nfs/dbraw/zinc/92/50/82/453925082.db2.gz RDZCVJUSFGMMIR-WFASDCNBSA-N 1 0 328.372 3.409 20 5 EGBDRO CC[NH+](CC)CCN(CC(C)C)C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000041579389 453973884 /nfs/dbraw/zinc/97/38/84/453973884.db2.gz IUUCBEDCDOKQPK-UHFFFAOYSA-N 1 0 335.448 3.343 20 5 EGBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000068210918 454007595 /nfs/dbraw/zinc/00/75/95/454007595.db2.gz SKXYOWHHLOZMMC-NWDGAFQWSA-N 1 0 339.823 3.098 20 5 EGBDRO C[C@@H](CCc1ccccc1)[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000055902069 454024062 /nfs/dbraw/zinc/02/40/62/454024062.db2.gz BKSHWZGTQPSWOZ-INIZCTEOSA-N 1 0 340.427 3.133 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCCC[NH+]1CCC(C)CC1 ZINC000085620778 454034951 /nfs/dbraw/zinc/03/49/51/454034951.db2.gz WPDWWBGMCKJVKA-UHFFFAOYSA-N 1 0 348.447 3.455 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000085637348 454035979 /nfs/dbraw/zinc/03/59/79/454035979.db2.gz CGTMCHMWLSNNOM-UHFFFAOYSA-N 1 0 348.447 3.454 20 5 EGBDRO C[NH+](C)[C@@H](CNc1ccc2cc([N+](=O)[O-])ccc2n1)c1ccco1 ZINC000068658555 454041791 /nfs/dbraw/zinc/04/17/91/454041791.db2.gz WKLCVQHALAPSQZ-HNNXBMFYSA-N 1 0 326.356 3.451 20 5 EGBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000056196929 454043191 /nfs/dbraw/zinc/04/31/91/454043191.db2.gz PUORPZZSVQIOED-OLZOCXBDSA-N 1 0 343.383 3.281 20 5 EGBDRO C[C@H](CNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)C[NH+]1CCCCC1 ZINC000057039100 454098383 /nfs/dbraw/zinc/09/83/83/454098383.db2.gz PYYGDVFRKIECHH-CABCVRRESA-N 1 0 348.447 3.077 20 5 EGBDRO COCCc1nc(C)c([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)s1 ZINC000089513507 454158073 /nfs/dbraw/zinc/15/80/73/454158073.db2.gz INYPFLLHEDQSOW-LLVKDONJSA-N 1 0 335.429 3.399 20 5 EGBDRO CC(C)[C@H]([NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-])C(=O)N1CCCC1 ZINC000089723031 454184224 /nfs/dbraw/zinc/18/42/24/454184224.db2.gz CSSOKHBSVGUHRY-QAPCUYQASA-N 1 0 347.459 3.153 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000094124937 454187889 /nfs/dbraw/zinc/18/78/89/454187889.db2.gz KLDAUTSSVHVJJS-INIZCTEOSA-N 1 0 345.443 3.220 20 5 EGBDRO CC[C@H](C)[N@H+](C)CCNC(=O)[C@@H](CC)Cc1ccc([N+](=O)[O-])cc1 ZINC000184726756 455437215 /nfs/dbraw/zinc/43/72/15/455437215.db2.gz DSHDVUHKZJCLBG-HOCLYGCPSA-N 1 0 335.448 3.010 20 5 EGBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000047039518 454323358 /nfs/dbraw/zinc/32/33/58/454323358.db2.gz XXMWAYBONLOJTP-GASCZTMLSA-N 1 0 333.432 3.083 20 5 EGBDRO CC[NH+](CC)[C@@H](CNc1c([N+](=O)[O-])c(C)nn1C)c1ccccc1 ZINC000047370204 454364466 /nfs/dbraw/zinc/36/44/66/454364466.db2.gz ZNDGZDBPAHWLJE-HNNXBMFYSA-N 1 0 331.420 3.132 20 5 EGBDRO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000091081904 454380538 /nfs/dbraw/zinc/38/05/38/454380538.db2.gz BLHKDWSAIBGPLG-INIZCTEOSA-N 1 0 330.388 3.151 20 5 EGBDRO CC[C@H](CSC)[N@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000091097838 454384132 /nfs/dbraw/zinc/38/41/32/454384132.db2.gz LYOGPYQJOWVLML-GFCCVEGCSA-N 1 0 336.417 3.218 20 5 EGBDRO CC[C@H](CSC)[N@H+](C)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000091099149 454385510 /nfs/dbraw/zinc/38/55/10/454385510.db2.gz VZCZSLAIRHRHMM-GFCCVEGCSA-N 1 0 328.434 3.056 20 5 EGBDRO O=[N+]([O-])c1cccc(N2CC[NH+](CCCc3ccccc3)CC2)c1 ZINC000047745538 454405314 /nfs/dbraw/zinc/40/53/14/454405314.db2.gz YYZXPCAYISHRDF-UHFFFAOYSA-N 1 0 325.412 3.350 20 5 EGBDRO Cc1ccc([C@@H](CNC(=O)c2ccc(F)cc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000133732729 454461289 /nfs/dbraw/zinc/46/12/89/454461289.db2.gz RFPGPMKSCLGCSC-QGZVFWFLSA-N 1 0 345.374 3.075 20 5 EGBDRO CCC(CC)[N@H+](CCOC)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000064806242 454507539 /nfs/dbraw/zinc/50/75/39/454507539.db2.gz PTLSGOHKYRKTLB-UHFFFAOYSA-N 1 0 338.404 3.098 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H]1C1CCC1 ZINC000102926942 454526817 /nfs/dbraw/zinc/52/68/17/454526817.db2.gz GKPYOZHCNRWSJE-QGZVFWFLSA-N 1 0 331.416 3.496 20 5 EGBDRO Cc1cccc(CN(CC[NH+](C)C)C(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000103113854 454537717 /nfs/dbraw/zinc/53/77/17/454537717.db2.gz IJFWZRPYPYAMBQ-UHFFFAOYSA-N 1 0 341.411 3.107 20 5 EGBDRO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000134627576 454570252 /nfs/dbraw/zinc/57/02/52/454570252.db2.gz ZWEJPMJTNGYBCO-UKRRQHHQSA-N 1 0 349.431 3.472 20 5 EGBDRO COCC[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)CC(C)C ZINC000104667962 454594078 /nfs/dbraw/zinc/59/40/78/454594078.db2.gz CZXSQWQTUGZQPE-UHFFFAOYSA-N 1 0 347.415 3.397 20 5 EGBDRO C[C@H]1C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC(C)(C)O1 ZINC000104677218 454595235 /nfs/dbraw/zinc/59/52/35/454595235.db2.gz UPQQAYFCZGIFRV-ZDUSSCGKSA-N 1 0 345.399 3.292 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccc3[nH]c(=O)[nH]c3c2)cc1[N+](=O)[O-] ZINC000123080309 454599702 /nfs/dbraw/zinc/59/97/02/454599702.db2.gz IJPUPTMXAOTCAI-NEPJUHHUSA-N 1 0 340.383 3.485 20 5 EGBDRO Cc1cc(N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000080606023 454605789 /nfs/dbraw/zinc/60/57/89/454605789.db2.gz JDJKINKTQCHQEI-KRWDZBQOSA-N 1 0 340.427 3.257 20 5 EGBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)CCC1CC1 ZINC000135310891 454661152 /nfs/dbraw/zinc/66/11/52/454661152.db2.gz AHJIMMCBCIUFRY-SNVBAGLBSA-N 1 0 325.796 3.307 20 5 EGBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H]2CCCc2ccccc2)c1 ZINC000135361163 454668255 /nfs/dbraw/zinc/66/82/55/454668255.db2.gz YDEXZXXXGOTKGC-KRWDZBQOSA-N 1 0 328.416 3.279 20 5 EGBDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000081127192 454690150 /nfs/dbraw/zinc/69/01/50/454690150.db2.gz UDXOXSXPSRLYPH-CQSZACIVSA-N 1 0 345.424 3.003 20 5 EGBDRO COC(=O)C(C)(C)[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000093282951 454700063 /nfs/dbraw/zinc/70/00/63/454700063.db2.gz UMXDVKUFKSRLNB-HNNXBMFYSA-N 1 0 334.416 3.314 20 5 EGBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccc(Cl)c(Cl)c1 ZINC000176193782 454708955 /nfs/dbraw/zinc/70/89/55/454708955.db2.gz GOGWHKIZDZXLPO-UHFFFAOYSA-N 1 0 329.187 3.230 20 5 EGBDRO CCOc1ccc([C@H]2CCC[N@@H+]2CCn2ccc([N+](=O)[O-])n2)cc1 ZINC000176197522 454710673 /nfs/dbraw/zinc/71/06/73/454710673.db2.gz BATCIEHLYNKUEV-MRXNPFEDSA-N 1 0 330.388 3.027 20 5 EGBDRO COc1ccc(-c2ccc(C[N@H+](C)CC[C@H](C)O)o2)c([N+](=O)[O-])c1 ZINC000093481531 454717948 /nfs/dbraw/zinc/71/79/48/454717948.db2.gz MTWGGBVIBZHOKY-LBPRGKRZSA-N 1 0 334.372 3.066 20 5 EGBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+](Cc1ccco1)C[C@H]1CCCO1 ZINC000141822054 454832158 /nfs/dbraw/zinc/83/21/58/454832158.db2.gz QKAPUVPXWHUAAT-MRXNPFEDSA-N 1 0 346.383 3.248 20 5 EGBDRO C[C@@H]1C[C@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C[N@@H+]1C1CC1 ZINC000177211520 454837429 /nfs/dbraw/zinc/83/74/29/454837429.db2.gz GAHVHBMKDZSMIQ-PWSUYJOCSA-N 1 0 345.424 3.165 20 5 EGBDRO CC[C@@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000177813970 454909915 /nfs/dbraw/zinc/90/99/15/454909915.db2.gz PFNPICJVPOIOCL-RHSMWYFYSA-N 1 0 333.432 3.427 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCN(c3ncccc3F)C2)cc1[N+](=O)[O-] ZINC000168158460 454924551 /nfs/dbraw/zinc/92/45/51/454924551.db2.gz NHUZSKJEXPVZMX-ZFWWWQNUSA-N 1 0 344.390 3.367 20 5 EGBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)CCC(=O)N2 ZINC000178734116 454970887 /nfs/dbraw/zinc/97/08/87/454970887.db2.gz WHAJPXGITODVJN-ZDUSSCGKSA-N 1 0 339.395 3.373 20 5 EGBDRO CCCN(C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC000178930456 454991016 /nfs/dbraw/zinc/99/10/16/454991016.db2.gz ABFZOCVTCPCRRR-AWEZNQCLSA-N 1 0 333.432 3.106 20 5 EGBDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000115437602 455015997 /nfs/dbraw/zinc/01/59/97/455015997.db2.gz IYXYGJGTKVNQPG-CQSZACIVSA-N 1 0 347.459 3.306 20 5 EGBDRO C[C@@H]1C[C@H](c2ccccc2)C[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000115554382 455020189 /nfs/dbraw/zinc/02/01/89/455020189.db2.gz QOMQEJWFYWQJQR-ZBFHGGJFSA-N 1 0 339.395 3.411 20 5 EGBDRO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C(C)C ZINC000171057406 455023155 /nfs/dbraw/zinc/02/31/55/455023155.db2.gz IZVWAXFHTFMIRT-UHFFFAOYSA-N 1 0 344.209 3.026 20 5 EGBDRO COC(=O)C(C)(C)C[NH2+]Cc1cc(=O)oc2ccc3ccccc3c12 ZINC000151799894 455032541 /nfs/dbraw/zinc/03/25/41/455032541.db2.gz VUAKZGYHGVNEFV-UHFFFAOYSA-N 1 0 339.391 3.235 20 5 EGBDRO C[NH+](C)CC[C@@H](NC(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(C)(C)C ZINC000116126807 455043467 /nfs/dbraw/zinc/04/34/67/455043467.db2.gz ZSYHQQASORIOFJ-CQSZACIVSA-N 1 0 341.839 3.344 20 5 EGBDRO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000151880543 455043835 /nfs/dbraw/zinc/04/38/35/455043835.db2.gz WUALEQXKKOTVLT-ZBFHGGJFSA-N 1 0 346.383 3.155 20 5 EGBDRO CC[NH+](CC)Cc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000156921682 455156885 /nfs/dbraw/zinc/15/68/85/455156885.db2.gz KSKLCIKRHOUCIK-UHFFFAOYSA-N 1 0 336.310 3.386 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCC[NH+](C(C)C)C(C)C ZINC000180342750 455159473 /nfs/dbraw/zinc/15/94/73/455159473.db2.gz JFJUSJVKTNLVRQ-UHFFFAOYSA-N 1 0 335.448 3.369 20 5 EGBDRO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)N(C)C1CCCCC1 ZINC000180443405 455170899 /nfs/dbraw/zinc/17/08/99/455170899.db2.gz MSLFXFIAQPBIFN-KBPBESRZSA-N 1 0 333.432 3.425 20 5 EGBDRO COc1ccc(NC(=O)CC[NH2+][C@@H](C)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000182934634 455194542 /nfs/dbraw/zinc/19/45/42/455194542.db2.gz GMSUCEOVDRGAAU-ZDUSSCGKSA-N 1 0 349.431 3.490 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H]2CCC[C@H]21 ZINC000245442352 455302154 /nfs/dbraw/zinc/30/21/54/455302154.db2.gz HZAJOFZFEVLSTA-CZUORRHYSA-N 1 0 347.415 3.197 20 5 EGBDRO C[C@@H](CCNC(=O)c1ccc([N+](=O)[O-])s1)[N@H+](C)Cc1ccccc1 ZINC000173612709 455316152 /nfs/dbraw/zinc/31/61/52/455316152.db2.gz AZKYSRBZFRYMOD-ZDUSSCGKSA-N 1 0 347.440 3.297 20 5 EGBDRO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCSC[C@@H](C)C1 ZINC000190466225 455324452 /nfs/dbraw/zinc/32/44/52/455324452.db2.gz LYVXHEZRZNNOLA-RYUDHWBXSA-N 1 0 348.428 3.391 20 5 EGBDRO CCC[C@H](NC[C@@H](O)C[NH+]1CCC(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000158937786 455338149 /nfs/dbraw/zinc/33/81/49/455338149.db2.gz KIVKAFADOIDNGN-MOPGFXCFSA-N 1 0 349.475 3.118 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000184474443 455386589 /nfs/dbraw/zinc/38/65/89/455386589.db2.gz HECOGTFWXZNTJU-UHFFFAOYSA-N 1 0 346.431 3.208 20 5 EGBDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000600999091 460670317 /nfs/dbraw/zinc/67/03/17/460670317.db2.gz WPYANMCGUKCMGJ-CYBMUJFWSA-N 1 0 337.395 3.118 20 5 EGBDRO COC[C@@H]([NH2+]CCCOc1ccc([N+](=O)[O-])cc1)c1ccc(C)o1 ZINC000184676165 455425854 /nfs/dbraw/zinc/42/58/54/455425854.db2.gz ZIZHSXUCJFLBSY-MRXNPFEDSA-N 1 0 334.372 3.242 20 5 EGBDRO Cc1cnc([C@H](C)[NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)s1 ZINC000185014370 455486768 /nfs/dbraw/zinc/48/67/68/455486768.db2.gz KOCRGBSKLPDKDJ-LBPRGKRZSA-N 1 0 348.428 3.348 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000182335219 455491324 /nfs/dbraw/zinc/49/13/24/455491324.db2.gz XAPRDAPTAJDMDR-AWEZNQCLSA-N 1 0 327.384 3.217 20 5 EGBDRO Cc1ccc(C[C@@H](CO)[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000191583215 455500232 /nfs/dbraw/zinc/50/02/32/455500232.db2.gz HTMJNMHBRQEKQM-APWZRJJASA-N 1 0 342.439 3.418 20 5 EGBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H]2CCO[C@H]2c2ccccc2)cc1 ZINC000191968790 455536852 /nfs/dbraw/zinc/53/68/52/455536852.db2.gz LIIMVRNUSGQXNF-MSOLQXFVSA-N 1 0 328.368 3.093 20 5 EGBDRO CCN(CC)C(=O)CCC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000182574692 455544511 /nfs/dbraw/zinc/54/45/11/455544511.db2.gz NIBGSQNOXMODAR-UHFFFAOYSA-N 1 0 347.459 3.455 20 5 EGBDRO O=C1O[C@H](C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC12CCC2 ZINC000192138815 455562824 /nfs/dbraw/zinc/56/28/24/455562824.db2.gz BSNDSUNWSPLVTC-INIZCTEOSA-N 1 0 330.384 3.045 20 5 EGBDRO CN(c1ncc([N+](=O)[O-])s1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000192474143 455625838 /nfs/dbraw/zinc/62/58/38/455625838.db2.gz JAKDMCDCBQAHDR-AWEZNQCLSA-N 1 0 332.429 3.152 20 5 EGBDRO Cc1nc2sccn2c1C[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000268248808 455630170 /nfs/dbraw/zinc/63/01/70/455630170.db2.gz OIDQLDAHRTYHGV-UHFFFAOYSA-N 1 0 330.413 3.287 20 5 EGBDRO CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000284089530 455634999 /nfs/dbraw/zinc/63/49/99/455634999.db2.gz LUTLTQLCVAXAHV-HOCLYGCPSA-N 1 0 337.376 3.186 20 5 EGBDRO C[N@@H+]1CC[C@]2(CCN(c3ccc([N+](=O)[O-])c(C(F)(F)F)c3)C2)C1 ZINC000292359211 455639593 /nfs/dbraw/zinc/63/95/93/455639593.db2.gz RDQMPQQZCKBXBF-AWEZNQCLSA-N 1 0 329.322 3.146 20 5 EGBDRO COc1ccc([C@H](OC)[C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000271452727 455642875 /nfs/dbraw/zinc/64/28/75/455642875.db2.gz FANKGVUFFMVRNN-FZKQIMNGSA-N 1 0 330.384 3.469 20 5 EGBDRO C[C@H](O)C[C@@H](C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccccc1 ZINC000284222037 455653608 /nfs/dbraw/zinc/65/36/08/455653608.db2.gz UDOJRNFNWSPRBH-ZQIUZPCESA-N 1 0 343.427 3.382 20 5 EGBDRO C[NH+](C)Cc1cccc(C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000186019737 455677004 /nfs/dbraw/zinc/67/70/04/455677004.db2.gz HDZBYSHRGNUVJO-UHFFFAOYSA-N 1 0 347.802 3.240 20 5 EGBDRO COC(=O)N1CCC([C@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000186048889 455684263 /nfs/dbraw/zinc/68/42/63/455684263.db2.gz WBDKSNNCPIVRIZ-OLZOCXBDSA-N 1 0 335.404 3.112 20 5 EGBDRO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)[C@H]1OCCc2sccc21 ZINC000292548980 455694174 /nfs/dbraw/zinc/69/41/74/455694174.db2.gz YIYKNHZVCAHMCL-SJKOYZFVSA-N 1 0 348.424 3.327 20 5 EGBDRO CC[C@@H]([NH2+]CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1ccccc1 ZINC000271639810 455707396 /nfs/dbraw/zinc/70/73/96/455707396.db2.gz HDVVHWCMGRZAMS-OAHLLOKOSA-N 1 0 343.383 3.283 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCC[C@@H]3[C@H]3CCCO3)co2)cc1 ZINC000284736032 455733943 /nfs/dbraw/zinc/73/39/43/455733943.db2.gz KOTGNBKQKNUZOW-IAGOWNOFSA-N 1 0 343.383 3.393 20 5 EGBDRO C[N@H+](Cc1ccccc1)[C@H](CNc1ccc([N+](=O)[O-])cn1)C1CC1 ZINC000186415378 455763611 /nfs/dbraw/zinc/76/36/11/455763611.db2.gz CNLQOHIULDKPHX-QGZVFWFLSA-N 1 0 326.400 3.312 20 5 EGBDRO CC[NH+](CC)C[C@@H]1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000278136279 455767282 /nfs/dbraw/zinc/76/72/82/455767282.db2.gz AFJOXRXAXAFENR-NSHDSACASA-N 1 0 346.353 3.177 20 5 EGBDRO COC(=O)N1CCC([C@@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000186770393 455834111 /nfs/dbraw/zinc/83/41/11/455834111.db2.gz OXOZXBPPNVMMED-ZIAGYGMSSA-N 1 0 349.431 3.421 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H]1CCO[C@]2(CCSC2)C1 ZINC000255596725 455871158 /nfs/dbraw/zinc/87/11/58/455871158.db2.gz XOXHWCPUMDQEAR-CEBMOZKTSA-N 1 0 334.441 3.252 20 5 EGBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000285721310 455904513 /nfs/dbraw/zinc/90/45/13/455904513.db2.gz ILKAGOCZUXMENH-SWLSCSKDSA-N 1 0 343.383 3.040 20 5 EGBDRO CSc1ccc(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000285921654 455942383 /nfs/dbraw/zinc/94/23/83/455942383.db2.gz SYOQLVHKJZNLEV-GXTWGEPZSA-N 1 0 349.456 3.016 20 5 EGBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000286043221 455966196 /nfs/dbraw/zinc/96/61/96/455966196.db2.gz AHCCCBBGOBSANQ-KDOFPFPSSA-N 1 0 343.427 3.251 20 5 EGBDRO C[C@H]1CN(Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)C[C@H]1[NH3+] ZINC000261977750 455980840 /nfs/dbraw/zinc/98/08/40/455980840.db2.gz IVWSGTVPFABRHZ-WMLDXEAASA-N 1 0 340.427 3.142 20 5 EGBDRO CC(=O)c1cc(N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)ccc1[N+](=O)[O-] ZINC000286195420 455998595 /nfs/dbraw/zinc/99/85/95/455998595.db2.gz LXXGXGZWZDNEDH-KDOFPFPSSA-N 1 0 343.427 3.251 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ncc(C2CC[NH2+]CC2)s1 ZINC000262130547 456001801 /nfs/dbraw/zinc/00/18/01/456001801.db2.gz WSNQBYGSSNSQSF-UHFFFAOYSA-N 1 0 346.412 3.079 20 5 EGBDRO CC(C)(C(=O)NC1CC[NH+](C2CCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000296895101 456062414 /nfs/dbraw/zinc/06/24/14/456062414.db2.gz ISULTWBPDAQXHX-UHFFFAOYSA-N 1 0 345.443 3.006 20 5 EGBDRO C[C@@H]([NH2+]C1CC1)C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000296951259 456072816 /nfs/dbraw/zinc/07/28/16/456072816.db2.gz UAMLTRJQOCZDJH-GFCCVEGCSA-N 1 0 341.367 3.466 20 5 EGBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000332417771 456074386 /nfs/dbraw/zinc/07/43/86/456074386.db2.gz MWOCYUMQJLYEGM-RVKKMQEKSA-N 1 0 345.443 3.001 20 5 EGBDRO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000332591186 456095722 /nfs/dbraw/zinc/09/57/22/456095722.db2.gz FICNJMVCRZXRQK-AWEZNQCLSA-N 1 0 349.456 3.017 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]CCOCC(F)F ZINC000188748906 456127172 /nfs/dbraw/zinc/12/71/72/456127172.db2.gz HTSKEWMDXVAFEG-GXTWGEPZSA-N 1 0 328.359 3.177 20 5 EGBDRO Cc1ccccc1C[C@@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000188925149 456173146 /nfs/dbraw/zinc/17/31/46/456173146.db2.gz KGYSPZVNZFAEBG-HNNXBMFYSA-N 1 0 334.803 3.250 20 5 EGBDRO COc1ccc(C[N@H+](C)C[C@H]2OCCc3ccccc32)cc1[N+](=O)[O-] ZINC000263656839 456183578 /nfs/dbraw/zinc/18/35/78/456183578.db2.gz CUGQRXLNVVYYQP-LJQANCHMSA-N 1 0 342.395 3.349 20 5 EGBDRO Cc1cc(NC[C@@H](C2CC2)[NH+](C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301805331 456219152 /nfs/dbraw/zinc/21/91/52/456219152.db2.gz BLNOAPZCGJCYBC-INIZCTEOSA-N 1 0 341.415 3.112 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)Cc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000297438225 456221153 /nfs/dbraw/zinc/22/11/53/456221153.db2.gz VXJLBJMXMVHGIO-GUYCJALGSA-N 1 0 332.375 3.297 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H](O)C(F)(F)F)s2)cc1 ZINC000263815808 456231886 /nfs/dbraw/zinc/23/18/86/456231886.db2.gz OMLQLWYZJJOLKP-CYBMUJFWSA-N 1 0 346.330 3.336 20 5 EGBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000297558171 456251612 /nfs/dbraw/zinc/25/16/12/456251612.db2.gz QHOBYVKRJUPMAH-MSOLQXFVSA-N 1 0 341.411 3.025 20 5 EGBDRO COc1cc(C[NH2+][C@H]2CC(C)(C)OC2(C)C)c([N+](=O)[O-])cc1F ZINC000189237499 456262599 /nfs/dbraw/zinc/26/25/99/456262599.db2.gz PRJGVKIWQHIFKX-AWEZNQCLSA-N 1 0 326.368 3.178 20 5 EGBDRO C[NH+]1CCC(Nc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)CC1 ZINC000302148255 456300329 /nfs/dbraw/zinc/30/03/29/456300329.db2.gz ADTJRYPYCOWPHO-UHFFFAOYSA-N 1 0 342.399 3.075 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N(C)CCC[NH+]1CCCC1 ZINC000281987576 456382418 /nfs/dbraw/zinc/38/24/18/456382418.db2.gz PGOWCJABBQILBM-UHFFFAOYSA-N 1 0 334.420 3.161 20 5 EGBDRO C[C@@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)[N@@H+]1CCCC[C@@H]1C ZINC000343083114 456394825 /nfs/dbraw/zinc/39/48/25/456394825.db2.gz XUEKOLJRQYFLHW-STQMWFEESA-N 1 0 345.399 3.334 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)C(C1CC1)C1CC1 ZINC000298308479 456421521 /nfs/dbraw/zinc/42/15/21/456421521.db2.gz YNBDXGRJHBVGFQ-UHFFFAOYSA-N 1 0 347.415 3.052 20 5 EGBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000343242040 456477190 /nfs/dbraw/zinc/47/71/90/456477190.db2.gz JKEQOSYSMDEJII-AWEZNQCLSA-N 1 0 328.416 3.454 20 5 EGBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000340493054 456490860 /nfs/dbraw/zinc/49/08/60/456490860.db2.gz POYJDMIYOOCVFF-NFAWXSAZSA-N 1 0 349.406 3.211 20 5 EGBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2c2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000276546973 456512559 /nfs/dbraw/zinc/51/25/59/456512559.db2.gz DVZIVVXPMJNVMA-ZBFHGGJFSA-N 1 0 326.400 3.064 20 5 EGBDRO C[S@@](=O)Cc1ccc(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])cc1 ZINC000353148670 456521992 /nfs/dbraw/zinc/52/19/92/456521992.db2.gz ZJIGNEQTFZEUOU-JIBKAZCMSA-N 1 0 344.436 3.276 20 5 EGBDRO CC(C)N(C)c1ccc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)cn1 ZINC000276643290 456540055 /nfs/dbraw/zinc/54/00/55/456540055.db2.gz REOKKPKPBXNWDF-UHFFFAOYSA-N 1 0 328.416 3.167 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000276722922 456561508 /nfs/dbraw/zinc/56/15/08/456561508.db2.gz ASBHVTXWJWJYGM-UHFFFAOYSA-N 1 0 334.420 3.147 20 5 EGBDRO CCCN(CC[NH+]1CCCCC1)c1ncnc2sc([N+](=O)[O-])cc21 ZINC000343363746 456562083 /nfs/dbraw/zinc/56/20/83/456562083.db2.gz WSTROCZTYUOVLY-UHFFFAOYSA-N 1 0 349.460 3.302 20 5 EGBDRO C[C@H](c1nc(-c2ccc(N)c([N+](=O)[O-])c2)no1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000276901201 456615402 /nfs/dbraw/zinc/61/54/02/456615402.db2.gz JCLGKHLITMSKQX-OUAUKWLOSA-N 1 0 331.376 3.161 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000291358487 456619243 /nfs/dbraw/zinc/61/92/43/456619243.db2.gz YCGJODHACVARBX-FQEVSTJZSA-N 1 0 340.423 3.412 20 5 EGBDRO C[C@@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1ccccc1 ZINC000348426257 456683291 /nfs/dbraw/zinc/68/32/91/456683291.db2.gz IHRQNAPYXGFBCG-AWEZNQCLSA-N 1 0 342.399 3.237 20 5 EGBDRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)c3ccccc3[N+](=O)[O-])C2)CC1 ZINC000299464258 456701317 /nfs/dbraw/zinc/70/13/17/456701317.db2.gz DPESKQMUOWQCAN-INIZCTEOSA-N 1 0 345.443 3.179 20 5 EGBDRO CCS[C@H]1CCC[C@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000348468336 456701589 /nfs/dbraw/zinc/70/15/89/456701589.db2.gz JONORJFDSWAGIP-CABCVRRESA-N 1 0 337.445 3.187 20 5 EGBDRO Cc1cccc(C)c1OC[C@@H](O)C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000327825078 456709420 /nfs/dbraw/zinc/70/94/20/456709420.db2.gz HOLJOPAEIWDRIM-KRWDZBQOSA-N 1 0 344.411 3.050 20 5 EGBDRO CCC(CC)(CCO)[NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000283117047 456715055 /nfs/dbraw/zinc/71/50/55/456715055.db2.gz YOTRASCJXBNFEQ-UHFFFAOYSA-N 1 0 345.237 3.388 20 5 EGBDRO Cn1ccnc1[C@H]([NH2+]C[C@H]1CC=CCC1)c1cccc([N+](=O)[O-])c1 ZINC000353502000 456719087 /nfs/dbraw/zinc/71/90/87/456719087.db2.gz JZYGLQSKMBAYDU-WMLDXEAASA-N 1 0 326.400 3.364 20 5 EGBDRO COc1cc([C@H](C)Nc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)ccn1 ZINC000340899648 456748357 /nfs/dbraw/zinc/74/83/57/456748357.db2.gz NYRJBVMAJXHWGR-LBPRGKRZSA-N 1 0 338.367 3.450 20 5 EGBDRO C[C@@H]1CC[C@@H](C[NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C1 ZINC000353592021 456787977 /nfs/dbraw/zinc/78/79/77/456787977.db2.gz ZHQQYDMZKJKTDG-CKEIUWERSA-N 1 0 328.416 3.444 20 5 EGBDRO C[C@@H]1CC[N@H+](C)CCN1c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000341273083 456828586 /nfs/dbraw/zinc/82/85/86/456828586.db2.gz QKLFSJSHABZXLT-CQSZACIVSA-N 1 0 326.400 3.187 20 5 EGBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000292023774 456831822 /nfs/dbraw/zinc/83/18/22/456831822.db2.gz OWGCHYDCNKTUHV-LLVKDONJSA-N 1 0 327.812 3.098 20 5 EGBDRO CC(C)([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1[N+](=O)[O-] ZINC000292114879 456859573 /nfs/dbraw/zinc/85/95/73/456859573.db2.gz JNAMCYAPHNAQDI-MRXNPFEDSA-N 1 0 345.355 3.061 20 5 EGBDRO CC[C@@]1(CO)CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000339114491 456946687 /nfs/dbraw/zinc/94/66/87/456946687.db2.gz ZFFRQKYKHOJXJG-AWEZNQCLSA-N 1 0 332.322 3.351 20 5 EGBDRO CCN(CCC[NH+]1CCCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000349466727 456974049 /nfs/dbraw/zinc/97/40/49/456974049.db2.gz OHONOSNLJZMFRG-UHFFFAOYSA-N 1 0 338.383 3.074 20 5 EGBDRO CN(c1ccccc1)c1ccc(C[N@@H+]2CCC[C@H]2CO)cc1[N+](=O)[O-] ZINC000349816061 457063671 /nfs/dbraw/zinc/06/36/71/457063671.db2.gz IRMPMVXXVOCSAF-KRWDZBQOSA-N 1 0 341.411 3.319 20 5 EGBDRO CC(C)C[C@@H]([NH3+])c1noc(CCCNc2ccc([N+](=O)[O-])cc2)n1 ZINC000339359685 457067032 /nfs/dbraw/zinc/06/70/32/457067032.db2.gz JSLRLMFIVYIIDO-CQSZACIVSA-N 1 0 333.392 3.068 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000339428703 457111419 /nfs/dbraw/zinc/11/14/19/457111419.db2.gz UXEMMIJOJZBLMS-LJQANCHMSA-N 1 0 347.459 3.300 20 5 EGBDRO C[C@H]1C[C@@H](c2cccnc2)[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000359870421 457136355 /nfs/dbraw/zinc/13/63/55/457136355.db2.gz IVQVHENQYUGEDK-YOEHRIQHSA-N 1 0 327.384 3.452 20 5 EGBDRO CC[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)C12CC3CC(CC(C3)C1)C2 ZINC000356749885 457149040 /nfs/dbraw/zinc/14/90/40/457149040.db2.gz YTVUSHAPSUKPKX-JKJYUFNASA-N 1 0 332.448 3.413 20 5 EGBDRO CC(C)C[N@H+](Cc1ccccc1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000346796608 457174623 /nfs/dbraw/zinc/17/46/23/457174623.db2.gz RGOFTLLYMGQCNL-UHFFFAOYSA-N 1 0 341.411 3.352 20 5 EGBDRO Cc1cc(NC(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000331395521 457178567 /nfs/dbraw/zinc/17/85/67/457178567.db2.gz MOPIDIZIXBFGPH-WMLDXEAASA-N 1 0 346.431 3.289 20 5 EGBDRO Cc1noc(C)c1[C@H](C)C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000331422046 457182296 /nfs/dbraw/zinc/18/22/96/457182296.db2.gz IGJPTGLIQXRPLB-KCPJHIHWSA-N 1 0 347.419 3.273 20 5 EGBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]C[C@@H]2CCC[C@H](CO)C2)c1 ZINC000342239837 457186174 /nfs/dbraw/zinc/18/61/74/457186174.db2.gz GPKLQJUSTZETBP-NEPJUHHUSA-N 1 0 344.358 3.085 20 5 EGBDRO CC(C)C[C@H](C)C[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000339739385 457242224 /nfs/dbraw/zinc/24/22/24/457242224.db2.gz GGWATRINNJFBMZ-HNNXBMFYSA-N 1 0 333.432 3.035 20 5 EGBDRO C[C@@H]1CCC[C@H](C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000357003994 457270011 /nfs/dbraw/zinc/27/00/11/457270011.db2.gz OTRYUSBKFFKUFN-CVEARBPZSA-N 1 0 345.443 3.179 20 5 EGBDRO CC[C@H](c1ccncc1)N(C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000354831073 457323019 /nfs/dbraw/zinc/32/30/19/457323019.db2.gz KZRUNVJYBMJHMM-OAHLLOKOSA-N 1 0 342.399 3.320 20 5 EGBDRO CCC[NH+]1CCC(N(C)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000347295539 457337356 /nfs/dbraw/zinc/33/73/56/457337356.db2.gz YGDMWGQOOLKRSK-UHFFFAOYSA-N 1 0 338.383 3.072 20 5 EGBDRO Cn1cncc1C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000352452302 457379580 /nfs/dbraw/zinc/37/95/80/457379580.db2.gz DPOOIWOHTMFLMB-UHFFFAOYSA-N 1 0 328.397 3.347 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(N[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)n1 ZINC000360868490 457393933 /nfs/dbraw/zinc/39/39/33/457393933.db2.gz BKHHPCPKCSLHJK-HOCLYGCPSA-N 1 0 326.400 3.373 20 5 EGBDRO O=C(CC[N@@H+]1CC[C@@H](c2ccco2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000374008167 457436764 /nfs/dbraw/zinc/43/67/64/457436764.db2.gz NPWHZPPCTGRMHY-CYBMUJFWSA-N 1 0 329.356 3.006 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(CN3CCC[C@]4(CC[NH2+]C4)C3)o2)cc1 ZINC000352546481 457455909 /nfs/dbraw/zinc/45/59/09/457455909.db2.gz VWSCUCBSINZIGO-LJQANCHMSA-N 1 0 341.411 3.430 20 5 EGBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000360962462 457470002 /nfs/dbraw/zinc/47/00/02/457470002.db2.gz ZYLUYLIUDKWMRX-INIZCTEOSA-N 1 0 349.479 3.068 20 5 EGBDRO CC(C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)[NH+]1CCC(C)CC1 ZINC000357475018 457551216 /nfs/dbraw/zinc/55/12/16/457551216.db2.gz UUHLUBRRELYCNJ-KRWDZBQOSA-N 1 0 333.432 3.081 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000425552251 457595557 /nfs/dbraw/zinc/59/55/57/457595557.db2.gz KRKKKNZBEQMTDK-SFHVURJKSA-N 1 0 346.427 3.385 20 5 EGBDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000357636440 457635517 /nfs/dbraw/zinc/63/55/17/457635517.db2.gz MLAPYYZJYMMSBM-ZDUSSCGKSA-N 1 0 345.399 3.335 20 5 EGBDRO COC1CCN(C(C)(C)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000361215741 457649083 /nfs/dbraw/zinc/64/90/83/457649083.db2.gz JZYHLWIYRQNBDD-OAHLLOKOSA-N 1 0 349.475 3.443 20 5 EGBDRO CC[C@H](C)C[N@H+](CC)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000361337824 457698037 /nfs/dbraw/zinc/69/80/37/457698037.db2.gz UEKGTFIEZQWYAT-ZDUSSCGKSA-N 1 0 335.404 3.261 20 5 EGBDRO Cc1noc(C2(C)CC[NH+](Cc3ccc(C)c([N+](=O)[O-])c3)CC2)n1 ZINC000374741491 457698986 /nfs/dbraw/zinc/69/89/86/457698986.db2.gz AVGGENZYTWWKAO-UHFFFAOYSA-N 1 0 330.388 3.148 20 5 EGBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000357821215 457702438 /nfs/dbraw/zinc/70/24/38/457702438.db2.gz VNQFVQFOXFJSIV-ZIAGYGMSSA-N 1 0 336.436 3.075 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H](C(=O)N(C)C)C2)cc1[N+](=O)[O-] ZINC000361494818 457753341 /nfs/dbraw/zinc/75/33/41/457753341.db2.gz ACARLSOCFQCOQF-CWRNSKLLSA-N 1 0 333.432 3.201 20 5 EGBDRO Cc1ccc(C[N@@H+]2CC[C@](O)(c3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000375044558 457768501 /nfs/dbraw/zinc/76/85/01/457768501.db2.gz XJCGNGOAPWJNIT-GOSISDBHSA-N 1 0 330.359 3.136 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2(CO)CC(c3ccccc3)C2)c(F)c1 ZINC000433204373 457778295 /nfs/dbraw/zinc/77/82/95/457778295.db2.gz BAVYRWRFFHFYLU-UHFFFAOYSA-N 1 0 344.386 3.380 20 5 EGBDRO CC(C)O[C@@H]1C[C@@H]([NH2+][C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1(C)C ZINC000361553839 457793240 /nfs/dbraw/zinc/79/32/40/457793240.db2.gz YCTKUASMUYJRAH-APHBMKBZSA-N 1 0 349.431 3.104 20 5 EGBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)c1 ZINC000371312348 457860292 /nfs/dbraw/zinc/86/02/92/457860292.db2.gz CAFODELGHZSAHK-NWDGAFQWSA-N 1 0 342.342 3.055 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000366605455 457867649 /nfs/dbraw/zinc/86/76/49/457867649.db2.gz CHQALROUMFXTJB-KBXCAEBGSA-N 1 0 345.443 3.052 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(c2c[nH]nc2C)CC1 ZINC000375327948 457882855 /nfs/dbraw/zinc/88/28/55/457882855.db2.gz RXJZVAOCTNNSEJ-UHFFFAOYSA-N 1 0 330.388 3.015 20 5 EGBDRO Cc1ccc(C(C)(C)[NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)cn1 ZINC000411528808 457912409 /nfs/dbraw/zinc/91/24/09/457912409.db2.gz QVWLTRZRPBODBE-UHFFFAOYSA-N 1 0 342.399 3.152 20 5 EGBDRO Cc1c([C@H](C)[NH2+][C@H]2CCOC3(CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000358312794 457925642 /nfs/dbraw/zinc/92/56/42/457925642.db2.gz CJQOOUVRPILZRE-GJZGRUSLSA-N 1 0 334.416 3.282 20 5 EGBDRO CC[C@H]1CCCC[C@@H]1[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000444667060 457932632 /nfs/dbraw/zinc/93/26/32/457932632.db2.gz XZGQXMMNWITMFA-BBRMVZONSA-N 1 0 349.431 3.443 20 5 EGBDRO CC[C@@H]1CCCC[C@@H]1[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000444673555 457934404 /nfs/dbraw/zinc/93/44/04/457934404.db2.gz JAPNFWXWKQPNNB-HFTRVMKXSA-N 1 0 336.432 3.235 20 5 EGBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000358332416 457939829 /nfs/dbraw/zinc/93/98/29/457939829.db2.gz HUVSENRFVAPQLN-LBPRGKRZSA-N 1 0 339.461 3.167 20 5 EGBDRO CSc1ccc(C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)cc1[N+](=O)[O-] ZINC000434426239 457993066 /nfs/dbraw/zinc/99/30/66/457993066.db2.gz SUGQDLKGHVIPIA-CQSZACIVSA-N 1 0 349.456 3.063 20 5 EGBDRO CO[C@@](C)([C@H](C)[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C1CC1 ZINC000411968493 458026063 /nfs/dbraw/zinc/02/60/63/458026063.db2.gz JUXBQBIUHNLMGC-UGSOOPFHSA-N 1 0 349.431 3.025 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2nnc(C[NH+]3CCC4(CCC4)CC3)o2)cc1 ZINC000375742663 458045705 /nfs/dbraw/zinc/04/57/05/458045705.db2.gz LZUMIASPUPKDBP-UHFFFAOYSA-N 1 0 328.372 3.411 20 5 EGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](N2CCCC2=O)CC1 ZINC000412060095 458074466 /nfs/dbraw/zinc/07/44/66/458074466.db2.gz YZGXAAFZHDERBG-CABCVRRESA-N 1 0 331.416 3.133 20 5 EGBDRO COc1ccc(-c2ccc(C[N@@H+]3CCC[C@@H]3CCO)o2)c([N+](=O)[O-])c1 ZINC000428463619 458149781 /nfs/dbraw/zinc/14/97/81/458149781.db2.gz SCJOTGZCLDZKNH-CYBMUJFWSA-N 1 0 346.383 3.210 20 5 EGBDRO Cc1cn2c(n1)[C@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1C)CCC2 ZINC000372251138 458249036 /nfs/dbraw/zinc/24/90/36/458249036.db2.gz XJQARDPMWAFQSF-ZDUSSCGKSA-N 1 0 343.387 3.107 20 5 EGBDRO CC(C)CSCCC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369681371 458314751 /nfs/dbraw/zinc/31/47/51/458314751.db2.gz LAKCVKUQWUEZDF-UHFFFAOYSA-N 1 0 326.466 3.208 20 5 EGBDRO C[C@@H]1CC[C@@H]([N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000429580515 458349728 /nfs/dbraw/zinc/34/97/28/458349728.db2.gz PNBYFHYUQKGOLZ-GHMZBOCLSA-N 1 0 325.796 3.307 20 5 EGBDRO C[C@@H]1CC[C@H]([N@H+](C)CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000429585303 458350590 /nfs/dbraw/zinc/35/05/90/458350590.db2.gz JAHAMYFNVBTGHA-OLZOCXBDSA-N 1 0 333.388 3.013 20 5 EGBDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429864326 458378916 /nfs/dbraw/zinc/37/89/16/458378916.db2.gz DVAAIZKRUHBLSF-OAHLLOKOSA-N 1 0 347.459 3.253 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3CC[C@@](O)(C4CC4)C3)o2)c1 ZINC000373318866 458460614 /nfs/dbraw/zinc/46/06/14/458460614.db2.gz MRWIHOOTTBKDSN-SFHVURJKSA-N 1 0 328.368 3.202 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000423616229 458464783 /nfs/dbraw/zinc/46/47/83/458464783.db2.gz UZRDQLLEEQEIGS-UHFFFAOYSA-N 1 0 345.443 3.126 20 5 EGBDRO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000430822174 458495094 /nfs/dbraw/zinc/49/50/94/458495094.db2.gz JZFBLSZMKPGPGF-ZBFHGGJFSA-N 1 0 333.432 3.225 20 5 EGBDRO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000430825012 458495553 /nfs/dbraw/zinc/49/55/53/458495553.db2.gz YKGZTIWMVNMGOK-JSGCOSHPSA-N 1 0 339.461 3.287 20 5 EGBDRO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000430824598 458495849 /nfs/dbraw/zinc/49/58/49/458495849.db2.gz QLYSYIJUYNWTDY-WMZOPIPTSA-N 1 0 347.459 3.154 20 5 EGBDRO O=C(CC[N@@H+]1CC[C@@H]1Cc1ccccc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000437825444 458498140 /nfs/dbraw/zinc/49/81/40/458498140.db2.gz AGXCKJWKIOSUNY-GOSISDBHSA-N 1 0 339.395 3.240 20 5 EGBDRO CCO[C@@H]1C[C@H]([NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)[C@]12CCCO2 ZINC000468616171 458528185 /nfs/dbraw/zinc/52/81/85/458528185.db2.gz BDPBDJXTCZMQSW-IPTDFMSPSA-N 1 0 346.427 3.314 20 5 EGBDRO C[C@@H](NC(=O)C[C@H](c1ccccc1)[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000431727184 458614294 /nfs/dbraw/zinc/61/42/94/458614294.db2.gz SVFUIEFZHUVREY-RDTXWAMCSA-N 1 0 341.411 3.465 20 5 EGBDRO C[C@](O)(C1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1)C(F)(F)F ZINC000546638482 458650120 /nfs/dbraw/zinc/65/01/20/458650120.db2.gz NDMHYWUZKZABGL-HNNXBMFYSA-N 1 0 346.349 3.163 20 5 EGBDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000439078578 458650711 /nfs/dbraw/zinc/65/07/11/458650711.db2.gz ORMIABYOOLVSKO-INIZCTEOSA-N 1 0 334.420 3.227 20 5 EGBDRO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000462857415 458661742 /nfs/dbraw/zinc/66/17/42/458661742.db2.gz HJXRGVUOZRYWSZ-MRXNPFEDSA-N 1 0 340.427 3.217 20 5 EGBDRO CCC[C@H]([NH2+]CCN1CCO[C@@H](CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000494449325 458679534 /nfs/dbraw/zinc/67/95/34/458679534.db2.gz IHHBMKCFRMSZPH-ROUUACIJSA-N 1 0 335.448 3.136 20 5 EGBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2c2ccnc3c2cccc3[N+](=O)[O-])C1 ZINC000432340655 458719234 /nfs/dbraw/zinc/71/92/34/458719234.db2.gz NZDWFTVCLTUFJX-HIFRSBDPSA-N 1 0 326.400 3.064 20 5 EGBDRO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000471813924 458736577 /nfs/dbraw/zinc/73/65/77/458736577.db2.gz ZQEDNCABRWVQSP-RHSMWYFYSA-N 1 0 341.411 3.318 20 5 EGBDRO CCc1ccc(C(=O)N(CC[NH+](C)C)C2CCCCC2)cc1[N+](=O)[O-] ZINC000471896865 458748790 /nfs/dbraw/zinc/74/87/90/458748790.db2.gz FRVFOBBFEHQKDP-UHFFFAOYSA-N 1 0 347.459 3.494 20 5 EGBDRO C[N@H+](CCOCc1ccccc1)CCOc1ccc([N+](=O)[O-])cc1 ZINC000464853886 458785970 /nfs/dbraw/zinc/78/59/70/458785970.db2.gz USHBFRCCZWARMU-UHFFFAOYSA-N 1 0 330.384 3.122 20 5 EGBDRO CC[C@H](O)C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000441056886 458881302 /nfs/dbraw/zinc/88/13/02/458881302.db2.gz FJFRASZMVMVFDU-SFHVURJKSA-N 1 0 344.411 3.247 20 5 EGBDRO CC[C@@H](O)C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000441056884 458881383 /nfs/dbraw/zinc/88/13/83/458881383.db2.gz FJFRASZMVMVFDU-GOSISDBHSA-N 1 0 344.411 3.247 20 5 EGBDRO CC(C)NC(=O)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000566474241 458943994 /nfs/dbraw/zinc/94/39/94/458943994.db2.gz GAFFVCXYWGLKDD-CKEIUWERSA-N 1 0 345.443 3.255 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@]2(CO)Cc2ccccc2)cc1 ZINC000475679968 458958102 /nfs/dbraw/zinc/95/81/02/458958102.db2.gz NWLJYGJSXWTPID-HXUWFJFHSA-N 1 0 340.423 3.207 20 5 EGBDRO COC[C@H](Cc1ccccc1)[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000475750602 458964527 /nfs/dbraw/zinc/96/45/27/458964527.db2.gz QRWKALZHIHYCIH-SFHVURJKSA-N 1 0 344.411 3.163 20 5 EGBDRO CCC(C)(C)[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000441642794 458967687 /nfs/dbraw/zinc/96/76/87/458967687.db2.gz HMOPRCYQGKLBQE-INIZCTEOSA-N 1 0 349.431 3.443 20 5 EGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@H](CO)Cc1ccc(F)cc1 ZINC000594503374 459065249 /nfs/dbraw/zinc/06/52/49/459065249.db2.gz LMLFLSJOJGBUQS-RDTXWAMCSA-N 1 0 344.386 3.162 20 5 EGBDRO CO[C@H](C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])Cc1ccccc1 ZINC000594506237 459066286 /nfs/dbraw/zinc/06/62/86/459066286.db2.gz NPRZQJACRCBFQG-MAUKXSAKSA-N 1 0 326.396 3.429 20 5 EGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1CC[C@@](O)(C(F)(F)F)C1 ZINC000594518425 459075692 /nfs/dbraw/zinc/07/56/92/459075692.db2.gz IGYWWMHKQNTNQY-WFBYXXMGSA-N 1 0 330.306 3.018 20 5 EGBDRO CC(C)Oc1nc(N(C)C2CC[NH+](C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000594542892 459085495 /nfs/dbraw/zinc/08/54/95/459085495.db2.gz NLKOLURMJQZWAZ-UHFFFAOYSA-N 1 0 336.436 3.086 20 5 EGBDRO CNC(=O)c1cccc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000532475509 459095466 /nfs/dbraw/zinc/09/54/66/459095466.db2.gz HWAVUKKPWSTKAE-ZDUSSCGKSA-N 1 0 327.384 3.114 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H]1C(C)(C)C ZINC000532970018 459168483 /nfs/dbraw/zinc/16/84/83/459168483.db2.gz UWXUNNCKGUGZHB-HNNXBMFYSA-N 1 0 335.404 3.052 20 5 EGBDRO COc1cccc(C[NH2+]Cc2cc(OC)c(OC)cc2[N+](=O)[O-])c1C ZINC000594997738 459209879 /nfs/dbraw/zinc/20/98/79/459209879.db2.gz BXHXAGUNXBAAJE-UHFFFAOYSA-N 1 0 346.383 3.219 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](CO)[C@H](C)c1ccccc1 ZINC000595020509 459218384 /nfs/dbraw/zinc/21/83/84/459218384.db2.gz ZWZWXIRKRSXPJO-QWQRMKEZSA-N 1 0 344.411 3.419 20 5 EGBDRO C[C@H]([NH2+]Cc1cccnc1N1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000595064136 459233001 /nfs/dbraw/zinc/23/30/01/459233001.db2.gz DGKGHIYJTVUPME-AWEZNQCLSA-N 1 0 326.400 3.441 20 5 EGBDRO CCSC1(C[NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000595100614 459245298 /nfs/dbraw/zinc/24/52/98/459245298.db2.gz SPSPIIBAXGKPCC-LBPRGKRZSA-N 1 0 337.445 3.187 20 5 EGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@@H]1CCN1Cc1ccccc1 ZINC000595101952 459245388 /nfs/dbraw/zinc/24/53/88/459245388.db2.gz GORANYVXWGOEHU-QFBILLFUSA-N 1 0 337.423 3.446 20 5 EGBDRO COc1cccc(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1C ZINC000595102291 459246184 /nfs/dbraw/zinc/24/61/84/459246184.db2.gz DXUGEJZUKYMGOP-JKSUJKDBSA-N 1 0 344.415 3.382 20 5 EGBDRO CNC(=O)CC1(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CCCCC1 ZINC000595104370 459246862 /nfs/dbraw/zinc/24/68/62/459246862.db2.gz POTZXTDPCYZENO-INIZCTEOSA-N 1 0 345.443 3.258 20 5 EGBDRO Cc1c(NC(=O)CC[N@@H+]2CC[C@H](C3CCC3)C2)cccc1[N+](=O)[O-] ZINC000591061719 459301586 /nfs/dbraw/zinc/30/15/86/459301586.db2.gz GCSXVRGDUWCPBO-HNNXBMFYSA-N 1 0 331.416 3.354 20 5 EGBDRO C[C@@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC[C@H]1C ZINC000523496267 459309714 /nfs/dbraw/zinc/30/97/14/459309714.db2.gz NURHNSWQTXOALE-CABCVRRESA-N 1 0 347.459 3.252 20 5 EGBDRO O=[N+]([O-])c1cc(F)ccc1C[NH2+]C1(CO)C2CC3CC(C2)CC1C3 ZINC000595543280 459340198 /nfs/dbraw/zinc/34/01/98/459340198.db2.gz JCPRDNWLRZGJNG-UHFFFAOYSA-N 1 0 334.391 3.011 20 5 EGBDRO CC(C)[C@H]1CCC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000524484217 459367670 /nfs/dbraw/zinc/36/76/70/459367670.db2.gz NUYDYVJWYZLJRA-RDJZCZTQSA-N 1 0 336.432 3.093 20 5 EGBDRO C[C@@H]1CCC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H]1CCO ZINC000595697533 459401992 /nfs/dbraw/zinc/40/19/92/459401992.db2.gz LQGZGNLSGSCZHG-CXAGYDPISA-N 1 0 345.399 3.233 20 5 EGBDRO C[C@H](O)[C@@H]1CCCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000540962227 459411786 /nfs/dbraw/zinc/41/17/86/459411786.db2.gz YOYRUEYVWBYREL-GXTWGEPZSA-N 1 0 347.440 3.311 20 5 EGBDRO Cc1cc(N[C@@H](C)COCC(F)(F)F)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000541160115 459431424 /nfs/dbraw/zinc/43/14/24/459431424.db2.gz OGGZFXCENFTPTM-JTQLQIEISA-N 1 0 343.305 3.253 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](N[C@@H]2CCc3nc[nH]c3C2)C(F)(F)F)cc1 ZINC000583208904 459500842 /nfs/dbraw/zinc/50/08/42/459500842.db2.gz UIBJYFNVKJCAID-QMTHXVAHSA-N 1 0 340.305 3.068 20 5 EGBDRO CC(C)[C@H](CO)C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000583404413 459532303 /nfs/dbraw/zinc/53/23/03/459532303.db2.gz RXQNULYHGVOVHC-ZDUSSCGKSA-N 1 0 335.429 3.072 20 5 EGBDRO C[C@@H]1C[C@@H](Nc2c(Br)cccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000596143779 459535890 /nfs/dbraw/zinc/53/58/90/459535890.db2.gz ABHCCCOQGUQOGB-ZJUUUORDSA-N 1 0 328.210 3.252 20 5 EGBDRO C[C@H]1C[C@H](Nc2cc[nH]c(=O)c2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000596152707 459538307 /nfs/dbraw/zinc/53/83/07/459538307.db2.gz LQIIYUOKYDXTFC-DZGCQCFKSA-N 1 0 342.399 3.160 20 5 EGBDRO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)CC[NH2+]1 ZINC000592242483 459559241 /nfs/dbraw/zinc/55/92/41/459559241.db2.gz MVDJGXCQSNLHMX-LBPRGKRZSA-N 1 0 349.456 3.063 20 5 EGBDRO C[NH+](C)[C@H]1CCCN(c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000596209349 459560588 /nfs/dbraw/zinc/56/05/88/459560588.db2.gz SPELGAOIEJGVIA-NSHDSACASA-N 1 0 342.237 3.278 20 5 EGBDRO CC[N@@H+]1C[C@H](C)N(C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000498230764 459574593 /nfs/dbraw/zinc/57/45/93/459574593.db2.gz BLIBYLRJEDJIMU-QLFBSQMISA-N 1 0 348.447 3.088 20 5 EGBDRO C[C@H]1Oc2ccccc2[C@@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000573083749 459623023 /nfs/dbraw/zinc/62/30/23/459623023.db2.gz HNVUBSUKBHLCJX-KZULUSFZSA-N 1 0 341.367 3.035 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@]1(C)CCO[C@@H]1C1CC1 ZINC000543237260 459637157 /nfs/dbraw/zinc/63/71/57/459637157.db2.gz WHEAJZXNFFTZBI-QZTJIDSGSA-N 1 0 334.416 3.429 20 5 EGBDRO O=[N+]([O-])c1ccc(NCC2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000596442017 459637907 /nfs/dbraw/zinc/63/79/07/459637907.db2.gz SYXLRJISNBWRCE-UHFFFAOYSA-N 1 0 326.400 3.314 20 5 EGBDRO C[N@H+](CCc1ccccc1)[C@H]1CCN(c2sccc2[N+](=O)[O-])C1 ZINC000596462268 459644926 /nfs/dbraw/zinc/64/49/26/459644926.db2.gz NVWDRACYZBDYBY-HNNXBMFYSA-N 1 0 331.441 3.410 20 5 EGBDRO Nc1c(F)c(NC[C@H]2CC[N@@H+]2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000596558891 459676274 /nfs/dbraw/zinc/67/62/74/459676274.db2.gz UJIJGKGLDVKOPO-CYBMUJFWSA-N 1 0 330.363 3.003 20 5 EGBDRO O=[N+]([O-])c1ccc2c(ccnc2NC[C@@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000596570729 459680388 /nfs/dbraw/zinc/68/03/88/459680388.db2.gz NDMDSBVFLLNZPB-HNNXBMFYSA-N 1 0 340.427 3.099 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000596843133 459777021 /nfs/dbraw/zinc/77/70/21/459777021.db2.gz PYUKYFDSYYZKRV-UHFFFAOYSA-N 1 0 346.431 3.147 20 5 EGBDRO CCN(CC(=O)Nc1cc(N(CC)C2CC2)ccc1[N+](=O)[O-])C1CC1 ZINC000574418291 459817254 /nfs/dbraw/zinc/81/72/54/459817254.db2.gz HQLMDENDJGPHHM-UHFFFAOYSA-N 1 0 346.431 3.006 20 5 EGBDRO CCc1ccc(C(=O)Nc2ccccc2C[NH+](C)C)cc1[N+](=O)[O-] ZINC000574496842 459825858 /nfs/dbraw/zinc/82/58/58/459825858.db2.gz MDLZVAUNUPLPFD-UHFFFAOYSA-N 1 0 327.384 3.471 20 5 EGBDRO C[C@@H](C(=O)NCCCCC[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000574736604 459863205 /nfs/dbraw/zinc/86/32/05/459863205.db2.gz POHKWRMAEJUVPU-MRXNPFEDSA-N 1 0 347.459 3.471 20 5 EGBDRO CCCN(CC[NH+]1CCCC1)C(=O)Nc1cc([N+](=O)[O-])ccc1CC ZINC000575031173 459911778 /nfs/dbraw/zinc/91/17/78/459911778.db2.gz FTGYJGIBCNTMHE-UHFFFAOYSA-N 1 0 348.447 3.497 20 5 EGBDRO C[C@H]([NH2+]C(C)(C)CNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000609153909 459915566 /nfs/dbraw/zinc/91/55/66/459915566.db2.gz GHPVVNGAPBYRDY-AWEZNQCLSA-N 1 0 341.411 3.454 20 5 EGBDRO C[C@@H](CN[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F)[N@H+](C)C1CC1 ZINC000593705128 459957759 /nfs/dbraw/zinc/95/77/59/459957759.db2.gz NPJCNNNHQBRXJG-HZMBPMFUSA-N 1 0 331.338 3.271 20 5 EGBDRO C[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccccc1 ZINC000602506942 459973080 /nfs/dbraw/zinc/97/30/80/459973080.db2.gz YWKNJCPIYHQKNM-AWEZNQCLSA-N 1 0 326.400 3.309 20 5 EGBDRO C[C@H]1CCCC[C@@H]1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602521245 459981795 /nfs/dbraw/zinc/98/17/95/459981795.db2.gz LKZGTYJSSLHHMB-LSDHHAIUSA-N 1 0 332.448 3.375 20 5 EGBDRO C[C@H]1C[C@H](NCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000602563387 459998995 /nfs/dbraw/zinc/99/89/95/459998995.db2.gz ZNFCUYJYFDVAOK-GXFFZTMASA-N 1 0 331.338 3.186 20 5 EGBDRO CCOCCC1(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CCC1 ZINC000602571721 460003133 /nfs/dbraw/zinc/00/31/33/460003133.db2.gz CNEOLEJMWGPPHC-UHFFFAOYSA-N 1 0 333.388 3.423 20 5 EGBDRO Cc1ccncc1[C@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602582080 460009407 /nfs/dbraw/zinc/00/94/07/460009407.db2.gz NUYFOROLZAHPHE-AWEZNQCLSA-N 1 0 341.415 3.013 20 5 EGBDRO C[N@@H+]1CC[C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])[C@H]2C1 ZINC000602588520 460012026 /nfs/dbraw/zinc/01/20/26/460012026.db2.gz AWDPOPFVNROXQY-ABAIWWIYSA-N 1 0 343.349 3.140 20 5 EGBDRO CC(C)(C)c1ccc(C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000593914846 460015301 /nfs/dbraw/zinc/01/53/01/460015301.db2.gz NVPOSNYSCVOJKC-LIRRHRJNSA-N 1 0 345.443 3.093 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C1C[NH+](C2CCCCC2)C1 ZINC000597665031 460022339 /nfs/dbraw/zinc/02/23/39/460022339.db2.gz CYWPHGSYGQOGSY-UHFFFAOYSA-N 1 0 331.416 3.415 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@@]2(O)CCC[C@H](C(F)(F)F)C2)cc1 ZINC000602628769 460031541 /nfs/dbraw/zinc/03/15/41/460031541.db2.gz KVGYWRORYVEKLQ-DZGCQCFKSA-N 1 0 346.349 3.211 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@]2(O)CCC[C@H](C(F)(F)F)C2)cc1 ZINC000602628772 460031898 /nfs/dbraw/zinc/03/18/98/460031898.db2.gz KVGYWRORYVEKLQ-ZFWWWQNUSA-N 1 0 346.349 3.211 20 5 EGBDRO Cn1cncc1CCC[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000594005767 460052259 /nfs/dbraw/zinc/05/22/59/460052259.db2.gz NUZOOENUOGWWIW-INIZCTEOSA-N 1 0 328.416 3.141 20 5 EGBDRO CO[C@@](C)(C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)c1ccccc1 ZINC000602677587 460059152 /nfs/dbraw/zinc/05/91/52/460059152.db2.gz YYYYBQPDNPUISA-SFHVURJKSA-N 1 0 341.367 3.387 20 5 EGBDRO Cc1cccc2c1OC[C@@H]([NH2+]Cc1nc3cc([N+](=O)[O-])ccc3o1)C2 ZINC000602675392 460059715 /nfs/dbraw/zinc/05/97/15/460059715.db2.gz IGSXMHUPLSAIIX-ZDUSSCGKSA-N 1 0 339.351 3.138 20 5 EGBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)cc1 ZINC000589300184 460068686 /nfs/dbraw/zinc/06/86/86/460068686.db2.gz AKMGLZQPIZUBAN-MSOLQXFVSA-N 1 0 346.427 3.397 20 5 EGBDRO CCCC[C@H](C)[N@H+](C)CC(=O)Nc1ccc(OCC)cc1[N+](=O)[O-] ZINC000589309200 460070057 /nfs/dbraw/zinc/07/00/57/460070057.db2.gz ZTSCFBOUZYHZMK-ZDUSSCGKSA-N 1 0 337.420 3.443 20 5 EGBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000597859750 460082491 /nfs/dbraw/zinc/08/24/91/460082491.db2.gz GZFFPMIUXOTMFI-NSHDSACASA-N 1 0 339.823 3.098 20 5 EGBDRO Cc1cc(NC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)ccc1[N+](=O)[O-] ZINC000594080565 460092334 /nfs/dbraw/zinc/09/23/34/460092334.db2.gz KRDKVPAWUYZNDD-GDBMZVCRSA-N 1 0 332.404 3.042 20 5 EGBDRO C[NH+]1CCC(n2ncc3cc(-c4ccc([N+](=O)[O-])cc4)cnc32)CC1 ZINC000598929352 460093096 /nfs/dbraw/zinc/09/30/96/460093096.db2.gz AQEFMSNNKBQOPQ-UHFFFAOYSA-N 1 0 337.383 3.273 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594095161 460099911 /nfs/dbraw/zinc/09/99/11/460099911.db2.gz TZPDHEYWZLFDQM-HZPDHXFCSA-N 1 0 332.404 3.042 20 5 EGBDRO COC[C@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C(C)C ZINC000610271204 460100523 /nfs/dbraw/zinc/10/05/23/460100523.db2.gz LUSHNUWPWIQJNU-HNNXBMFYSA-N 1 0 335.429 3.479 20 5 EGBDRO CC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])[C@H](C)Cc1ccc(OC)cc1 ZINC000602776446 460120318 /nfs/dbraw/zinc/12/03/18/460120318.db2.gz QZTRTXNWXLPDEQ-CQSZACIVSA-N 1 0 346.431 3.061 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000602791198 460127335 /nfs/dbraw/zinc/12/73/35/460127335.db2.gz NDQBZTMYGYHILW-QGZVFWFLSA-N 1 0 326.400 3.252 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@H](c2ccc(C)cc2C)C1 ZINC000602822616 460145548 /nfs/dbraw/zinc/14/55/48/460145548.db2.gz VZVOORVOBUOVQF-MRXNPFEDSA-N 1 0 328.416 3.206 20 5 EGBDRO CCc1ccc([C@H]([NH2+]C[C@H]2C[C@@H](O)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000599080448 460154134 /nfs/dbraw/zinc/15/41/34/460154134.db2.gz HBGGYCGKNMWLTJ-HNJNHCNJSA-N 1 0 330.384 3.200 20 5 EGBDRO CN(CC[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])CC(F)F ZINC000599088153 460158387 /nfs/dbraw/zinc/15/83/87/460158387.db2.gz ARBMNFUCVFXGRU-HIFRSBDPSA-N 1 0 341.402 3.093 20 5 EGBDRO CC[C@@H]([NH2+]C1CCN(C[C@@H]2CCCO2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000610818836 460241642 /nfs/dbraw/zinc/24/16/42/460241642.db2.gz HMCOQGQIUZJESO-RBUKOAKNSA-N 1 0 347.459 3.279 20 5 EGBDRO CC[N@H+](C[C@H]1CCOC1)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000611204924 460307807 /nfs/dbraw/zinc/30/78/07/460307807.db2.gz AXXNXFBCELXFQL-CHWSQXEVSA-N 1 0 346.387 3.064 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000599697410 460314983 /nfs/dbraw/zinc/31/49/83/460314983.db2.gz YHMRASRYLNLRLQ-MRXNPFEDSA-N 1 0 346.431 3.432 20 5 EGBDRO CCSCC[C@H](C)[N@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611276565 460326600 /nfs/dbraw/zinc/32/66/00/460326600.db2.gz KRVNHVZMAIWPPA-LBPRGKRZSA-N 1 0 340.445 3.330 20 5 EGBDRO Cc1nccc([C@@H]2CCC[N@H+](Cc3cccc([N+](=O)[O-])c3C)C2)n1 ZINC000603834360 460344638 /nfs/dbraw/zinc/34/46/38/460344638.db2.gz SATYLJLHLCYJHK-MRXNPFEDSA-N 1 0 326.400 3.381 20 5 EGBDRO Cc1noc(C)c1[C@H](C)[NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000611409068 460358426 /nfs/dbraw/zinc/35/84/26/460358426.db2.gz IWCXFPPQXNCHKR-NSHDSACASA-N 1 0 346.387 3.187 20 5 EGBDRO O=[N+]([O-])c1ccccc1N1CC[NH+](Cc2ccc3cc[nH]c3c2)CC1 ZINC000600106933 460384443 /nfs/dbraw/zinc/38/44/43/460384443.db2.gz ODMGBISYITUDIS-UHFFFAOYSA-N 1 0 336.395 3.398 20 5 EGBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCCC12CCCCC2 ZINC000612108113 460542504 /nfs/dbraw/zinc/54/25/04/460542504.db2.gz ZGAXIMHAMUMJCM-HNNXBMFYSA-N 1 0 334.416 3.133 20 5 EGBDRO COc1ccc2c(c1)CC[C@H]2[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000601264668 460769790 /nfs/dbraw/zinc/76/97/90/460769790.db2.gz CQNHGIUXVLNBLF-MRXNPFEDSA-N 1 0 328.368 3.389 20 5 EGBDRO CC[C@@H]([NH2+]C[C@@H](n1cncn1)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000601295365 460780098 /nfs/dbraw/zinc/78/00/98/460780098.db2.gz VBNDKHNLFKPIKW-CHWSQXEVSA-N 1 0 343.309 3.031 20 5 EGBDRO C[C@@H](NC(=O)c1c(F)cccc1[N+](=O)[O-])[C@H](c1ccccc1)[NH+](C)C ZINC000601456730 460815228 /nfs/dbraw/zinc/81/52/28/460815228.db2.gz VPMQNQABLXISMF-SJKOYZFVSA-N 1 0 345.374 3.155 20 5 EGBDRO Cc1cccc(-c2nc(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)no2)c1[N+](=O)[O-] ZINC000601964056 460963569 /nfs/dbraw/zinc/96/35/69/460963569.db2.gz FVJYXRHHMHPIBV-YHWZYXNKSA-N 1 0 328.372 3.293 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCCCCC[NH+]2CCCCC2)c1 ZINC000173015766 534318776 /nfs/dbraw/zinc/31/87/76/534318776.db2.gz XMIJCUCCLZXOJV-UHFFFAOYSA-N 1 0 333.432 3.289 20 5 EGBDRO C[C@H](NC(=O)NC[C@H](C)[NH+]1CCC(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000067706684 525075481 /nfs/dbraw/zinc/07/54/81/525075481.db2.gz LYWQHKAOJNGJJO-GJZGRUSLSA-N 1 0 348.447 3.075 20 5 EGBDRO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000032761957 526582153 /nfs/dbraw/zinc/58/21/53/526582153.db2.gz VWYVUWUUFNQUFT-OAHLLOKOSA-N 1 0 345.424 3.223 20 5 EGBDRO CC1(CNc2ccc([N+](=O)[O-])cc2Br)CC[NH2+]CC1 ZINC000129456965 527989164 /nfs/dbraw/zinc/98/91/64/527989164.db2.gz TXPZNGCEAQGTOY-UHFFFAOYSA-N 1 0 328.210 3.159 20 5 EGBDRO CCOc1ccc([C@H](C)[NH2+]CCCc2c[nH]nc2C)cc1[N+](=O)[O-] ZINC000152819334 528605930 /nfs/dbraw/zinc/60/59/30/528605930.db2.gz HMSCELNJJRXYBD-LBPRGKRZSA-N 1 0 332.404 3.308 20 5 EGBDRO CC[C@@H]([NH2+]CC(=O)N1[C@H](C)CCC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000181550317 529153816 /nfs/dbraw/zinc/15/38/16/529153816.db2.gz SPEAWXQHTJTHIF-JKIFEVAISA-N 1 0 333.432 3.425 20 5 EGBDRO CCc1nn(C)c(NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000354560790 536180816 /nfs/dbraw/zinc/18/08/16/536180816.db2.gz LNVADPOUERAZJA-OKILXGFUSA-N 1 0 337.468 3.061 20 5 EGBDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cc(N)ccc1[N+](=O)[O-] ZINC000193459236 536450065 /nfs/dbraw/zinc/45/00/65/536450065.db2.gz DNFVZMHBFJFLNH-MRXNPFEDSA-N 1 0 340.427 3.135 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000119885108 546709137 /nfs/dbraw/zinc/70/91/37/546709137.db2.gz XMUCNBDJPJSIJN-OAHLLOKOSA-N 1 0 348.447 3.311 20 5 EGBDRO C[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H](C)C1CCCCC1 ZINC000185511169 547118436 /nfs/dbraw/zinc/11/84/36/547118436.db2.gz XFQNKHGRNRSUBV-QWHCGFSZSA-N 1 0 333.432 3.388 20 5 EGBDRO O=C(C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])Nc1ccc(Cl)cc1 ZINC000726606366 574563615 /nfs/dbraw/zinc/56/36/15/574563615.db2.gz HZNPXCHRJASXBI-HYXAFXHYSA-N 1 0 345.786 3.490 20 5 EGBDRO CCO[C@@H]1C[C@H]([N@H+](C)Cn2ncc3cc([N+](=O)[O-])ccc32)C1(C)C ZINC000740862964 576631396 /nfs/dbraw/zinc/63/13/96/576631396.db2.gz IYHSDEUREJRFLJ-JKSUJKDBSA-N 1 0 332.404 3.037 20 5 EGBDRO C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C ZINC000741791176 576722028 /nfs/dbraw/zinc/72/20/28/576722028.db2.gz QOTUCLIGZXWPOB-GHMZBOCLSA-N 1 0 325.796 3.307 20 5 EGBDRO C[C@H]1CCC[C@H](C)[N@H+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C1 ZINC000742156024 576752736 /nfs/dbraw/zinc/75/27/36/576752736.db2.gz VPKICQNWBRXCMA-KBPBESRZSA-N 1 0 329.404 3.321 20 5 EGBDRO C[C@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000745170642 576842868 /nfs/dbraw/zinc/84/28/68/576842868.db2.gz FJHWIQVPTLMPIV-NSHDSACASA-N 1 0 325.796 3.309 20 5 EGBDRO CC[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000820925707 606482480 /nfs/dbraw/zinc/48/24/80/606482480.db2.gz KRQRINMYOIEGFM-INIZCTEOSA-N 1 0 338.371 3.016 20 5 EGBDRO CC[C@@H](C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)[NH+](CC)CC ZINC000750017221 1299323845 /nfs/dbraw/zinc/32/38/45/1299323845.db2.gz KECIFRLUMVROOF-HNNXBMFYSA-N 1 0 345.403 3.044 20 5 EGBDRO CC(C)c1ccc(C[NH+]2CCC(N3CCOC3=O)CC2)cc1[N+](=O)[O-] ZINC000827746130 1292364203 /nfs/dbraw/zinc/36/42/03/1292364203.db2.gz LULHOBBNQSHBCM-UHFFFAOYSA-N 1 0 347.415 3.135 20 5 EGBDRO COC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Br)C(C)C ZINC000086701151 1292736641 /nfs/dbraw/zinc/73/66/41/1292736641.db2.gz LURFSNIOBCTHPW-CYBMUJFWSA-N 1 0 331.210 3.118 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@H](OC(=O)N(C)C)C1 ZINC000830584705 1292737538 /nfs/dbraw/zinc/73/75/38/1292737538.db2.gz YQVYNLDDHGOZPF-ZFWWWQNUSA-N 1 0 335.404 3.127 20 5 EGBDRO O=[N+]([O-])c1ccc(Br)cc1N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000087834398 1292746761 /nfs/dbraw/zinc/74/67/61/1292746761.db2.gz XFOPERQHZZNXPE-JTQLQIEISA-N 1 0 326.194 3.006 20 5 EGBDRO CCOC[C@@H]1CCC[N@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000113923554 1293158673 /nfs/dbraw/zinc/15/86/73/1293158673.db2.gz QPZYLKJQUIZDAL-OAHLLOKOSA-N 1 0 344.415 3.164 20 5 EGBDRO CO[C@](C)(C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccccc1 ZINC000834885492 1293163907 /nfs/dbraw/zinc/16/39/07/1293163907.db2.gz WWAANHHFPZVSEH-FZKQIMNGSA-N 1 0 329.400 3.389 20 5 EGBDRO Cc1cnc(CC[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])cn1 ZINC000835060704 1293195565 /nfs/dbraw/zinc/19/55/65/1293195565.db2.gz GAEDNKNBWSDDIQ-UHFFFAOYSA-N 1 0 341.198 3.332 20 5 EGBDRO COC(C)(C)C[C@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000122096511 1293401526 /nfs/dbraw/zinc/40/15/26/1293401526.db2.gz BAEZWFVPFXQWBJ-AWEZNQCLSA-N 1 0 335.448 3.357 20 5 EGBDRO C[N@H+](CC1CCOCC1)Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000124740508 1293484211 /nfs/dbraw/zinc/48/42/11/1293484211.db2.gz YWWOENLSHQQOPL-UHFFFAOYSA-N 1 0 337.401 3.188 20 5 EGBDRO COc1ccc([C@H](O)C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000125428939 1293507177 /nfs/dbraw/zinc/50/71/77/1293507177.db2.gz DUGODEUYPUEJRO-SCLBCKFNSA-N 1 0 330.384 3.296 20 5 EGBDRO O=[N+]([O-])c1ccc(Br)cc1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000156194448 1294131420 /nfs/dbraw/zinc/13/14/20/1294131420.db2.gz AZYPDCWSUXAXJY-VXGBXAGGSA-N 1 0 340.221 3.396 20 5 EGBDRO C[C@@H]([NH3+])[C@H]1CCCCN1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000157887538 1294189579 /nfs/dbraw/zinc/18/95/79/1294189579.db2.gz DGMWSWWSNWODDH-ZWNOBZJWSA-N 1 0 342.237 3.059 20 5 EGBDRO O=[N+]([O-])c1cn(C[N@@H+]2CCC[C@H]2C2CCC2)nc1-c1ccncc1 ZINC000172901350 1294448547 /nfs/dbraw/zinc/44/85/47/1294448547.db2.gz NOPWGXAXYZWWEL-HNNXBMFYSA-N 1 0 327.388 3.075 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H](O)COCC(C)C ZINC000872027932 1296675025 /nfs/dbraw/zinc/67/50/25/1296675025.db2.gz OFDGLQPFYCCKDE-JSGCOSHPSA-N 1 0 342.461 3.001 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCSCCCO ZINC000872035613 1296685066 /nfs/dbraw/zinc/68/50/66/1296685066.db2.gz XOZOLGVFHQCNSP-LLVKDONJSA-N 1 0 330.475 3.083 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC1([S@](C)=O)CCC1 ZINC000872067580 1296713363 /nfs/dbraw/zinc/71/33/63/1296713363.db2.gz BIWIVZNKDVYLDK-XFNZEKPQSA-N 1 0 342.486 3.269 20 5 EGBDRO C[C@@]1(CNc2cccnc2[N+](=O)[O-])CC[N@H+](Cc2ccccc2)C1 ZINC000310327227 1297093246 /nfs/dbraw/zinc/09/32/46/1297093246.db2.gz ZDBCRYXJZYEJEE-SFHVURJKSA-N 1 0 326.400 3.314 20 5 EGBDRO Cc1c(C[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC000310572506 1297097378 /nfs/dbraw/zinc/09/73/78/1297097378.db2.gz ZQZWVCHQMFFDIF-UHFFFAOYSA-N 1 0 337.420 3.296 20 5 EGBDRO Cc1cccc(C)c1NC(=O)C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000873008268 1297219785 /nfs/dbraw/zinc/21/97/85/1297219785.db2.gz QPZSYIORNQFRKX-UHFFFAOYSA-N 1 0 327.384 3.248 20 5 EGBDRO Cc1c(C[NH2+]C2CCN(C(=O)CC(C)C)CC2)cccc1[N+](=O)[O-] ZINC000873026197 1297232090 /nfs/dbraw/zinc/23/20/90/1297232090.db2.gz MUVOBVYCFXJVOI-UHFFFAOYSA-N 1 0 333.432 3.030 20 5 EGBDRO Cc1c(C[NH2+]C[C@@]2(CO)C[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000873127754 1297284999 /nfs/dbraw/zinc/28/49/99/1297284999.db2.gz VCARMPJRNBCQHA-IEBWSBKVSA-N 1 0 326.396 3.159 20 5 EGBDRO Cc1c(C[NH2+]C[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000873149949 1297300926 /nfs/dbraw/zinc/30/09/26/1297300926.db2.gz VZIOQWYQBWEQFA-CTYIDZIISA-N 1 0 349.431 3.296 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](O)Cc2cccc(Cl)c2)c(F)c1 ZINC000873180063 1297329471 /nfs/dbraw/zinc/32/94/71/1297329471.db2.gz VJRHJWXWRKBLAR-HNNXBMFYSA-N 1 0 338.766 3.081 20 5 EGBDRO COC(C)(C)C[N@H+](C)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000404342568 1297751621 /nfs/dbraw/zinc/75/16/21/1297751621.db2.gz GBDAVCDQHVADEW-UHFFFAOYSA-N 1 0 331.210 3.214 20 5 EGBDRO CC(C)[NH+](CCCNC(=S)Nc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000746393717 1298580525 /nfs/dbraw/zinc/58/05/25/1298580525.db2.gz HURHBYFCZSOOAE-UHFFFAOYSA-N 1 0 338.477 3.390 20 5 EGBDRO CC(C)[C@H](C(=O)OCc1ccc([N+](=O)[O-])cc1F)[NH+]1CCCCC1 ZINC000746984397 1298700862 /nfs/dbraw/zinc/70/08/62/1298700862.db2.gz NDLVYKPCYOPCSD-MRXNPFEDSA-N 1 0 338.379 3.288 20 5 EGBDRO Cc1nnc([C@H]2CCC[N@H+](Cc3c(C)ccc([N+](=O)[O-])c3C)C2)[nH]1 ZINC000876810019 1299002110 /nfs/dbraw/zinc/00/21/10/1299002110.db2.gz LSMLHSCNRIMTGS-AWEZNQCLSA-N 1 0 329.404 3.018 20 5 EGBDRO CC(C)(C)[C@@H](Cn1ccnc1)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000876956273 1299086078 /nfs/dbraw/zinc/08/60/78/1299086078.db2.gz IPELHCMNSIOJKA-OAHLLOKOSA-N 1 0 343.387 3.137 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H]2CCOc3c(Cl)cccc32)c1 ZINC000749691654 1299256984 /nfs/dbraw/zinc/25/69/84/1299256984.db2.gz QLZOQZXXUASUFS-CVEARBPZSA-N 1 0 348.786 3.395 20 5 EGBDRO O=[N+]([O-])c1sc(C[NH2+]C[C@@H]2CCC=CO2)cc1Br ZINC000877458614 1299315690 /nfs/dbraw/zinc/31/56/90/1299315690.db2.gz ADLWYFYLSGKCRS-QMMMGPOBSA-N 1 0 333.207 3.201 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+](CCc2ccc(F)cc2)C2CC2)c1 ZINC000750072753 1299333634 /nfs/dbraw/zinc/33/36/34/1299333634.db2.gz DKNTYYMGHBTLQP-IBGZPJMESA-N 1 0 344.386 3.474 20 5 EGBDRO Cc1c(CN(CC[NH+](C)C)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000750605635 1299433285 /nfs/dbraw/zinc/43/32/85/1299433285.db2.gz GFJWRLMYQDQUET-UHFFFAOYSA-N 1 0 327.428 3.467 20 5 EGBDRO C[NH+](C)CCN(CCc1ccccc1)c1ncc([N+](=O)[O-])cc1Cl ZINC000751233792 1299526461 /nfs/dbraw/zinc/52/64/61/1299526461.db2.gz VSTDWZIRFQLNOI-UHFFFAOYSA-N 1 0 348.834 3.254 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1nnc(C[N@@H+]2CCC[C@@H]3CCC[C@H]32)o1 ZINC000878134971 1299769044 /nfs/dbraw/zinc/76/90/44/1299769044.db2.gz WDJBPZMZIXGPQK-GXTWGEPZSA-N 1 0 328.372 3.409 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+]CCCS(=O)(=O)C(C)(C)C)cc1[N+](=O)[O-] ZINC000878371026 1299952169 /nfs/dbraw/zinc/95/21/69/1299952169.db2.gz FRJKCEWIIYNMHJ-CYBMUJFWSA-N 1 0 342.461 3.157 20 5 EGBDRO Cc1ccc(SCC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000754250249 1300110938 /nfs/dbraw/zinc/11/09/38/1300110938.db2.gz GSFNOKGVGYJTIM-QGZVFWFLSA-N 1 0 332.425 3.319 20 5 EGBDRO O=[N+]([O-])c1ccccc1-c1nnc(C[N@H+]2C[C@@H]3CCCC[C@@H]3C2)o1 ZINC000878676313 1300139673 /nfs/dbraw/zinc/13/96/73/1300139673.db2.gz YIPFDEVJPIQVTJ-BETUJISGSA-N 1 0 328.372 3.267 20 5 EGBDRO C[C@H](C(=O)OCC[C@H]1CCCC[N@@H+]1C)c1ccc([N+](=O)[O-])cc1F ZINC000755063649 1300276160 /nfs/dbraw/zinc/27/61/60/1300276160.db2.gz NCBKGHLMPNGNJR-QWHCGFSZSA-N 1 0 338.379 3.255 20 5 EGBDRO COc1cccc([C@H]2CN(Cc3cccc([N+](=O)[O-])c3C)CC[NH2+]2)c1 ZINC000879526658 1300583403 /nfs/dbraw/zinc/58/34/03/1300583403.db2.gz PVHFKTXAKHDLHE-GOSISDBHSA-N 1 0 341.411 3.058 20 5 EGBDRO C[NH+](C)Cc1ccc(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000756995316 1300608269 /nfs/dbraw/zinc/60/82/69/1300608269.db2.gz DGZFDKPPBSEHFN-UHFFFAOYSA-N 1 0 347.802 3.240 20 5 EGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCC1(C)OCCO1 ZINC000760891499 1301359038 /nfs/dbraw/zinc/35/90/38/1301359038.db2.gz KITQARSSFSUTHO-CYBMUJFWSA-N 1 0 340.445 3.208 20 5 EGBDRO Cc1c(C[N@@H+]2CC[C@@H](OCc3ccccn3)C2)cccc1[N+](=O)[O-] ZINC000761195583 1301418337 /nfs/dbraw/zinc/41/83/37/1301418337.db2.gz ZIPNGOVXHHVMHS-QGZVFWFLSA-N 1 0 327.384 3.089 20 5 EGBDRO CC[C@H]([NH2+]C[C@H](O)COc1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000765286840 1302237153 /nfs/dbraw/zinc/23/71/53/1302237153.db2.gz GPEBXEKPXJDOEP-WMZOPIPTSA-N 1 0 348.374 3.215 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H]2CCCOc3ccc(F)cc32)cc1 ZINC000765845711 1302339020 /nfs/dbraw/zinc/33/90/20/1302339020.db2.gz SVYMDFRLDOUZCM-SJORKVTESA-N 1 0 346.358 3.271 20 5 EGBDRO CC[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1OC ZINC000766379460 1302440678 /nfs/dbraw/zinc/44/06/78/1302440678.db2.gz KUYJCBBSQOOJLZ-AWEZNQCLSA-N 1 0 343.383 3.283 20 5 EGBDRO CC[C@@H]1Cc2ccccc2C[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000767884445 1302778967 /nfs/dbraw/zinc/77/89/67/1302778967.db2.gz SQVOUIRXFUBVFS-MJGOQNOKSA-N 1 0 326.396 3.465 20 5 EGBDRO C[N@@H+]1CC[C@@H]2CN(c3cccc(C(F)(F)F)c3[N+](=O)[O-])C[C@@H]2C1 ZINC000884543403 1302902888 /nfs/dbraw/zinc/90/28/88/1302902888.db2.gz DATQETKZUMYBPK-MNOVXSKESA-N 1 0 329.322 3.002 20 5 EGBDRO CC(C)[NH+]1CCC(NC(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000770005108 1303205283 /nfs/dbraw/zinc/20/52/83/1303205283.db2.gz YYVOSYORTFOHPR-UHFFFAOYSA-N 1 0 340.811 3.243 20 5 EGBDRO C[NH+](C)CCN(Cc1ccccn1)c1ccc([N+](=O)[O-])cc1Cl ZINC000771183575 1303372942 /nfs/dbraw/zinc/37/29/42/1303372942.db2.gz RTFMFPLQUZCKMA-UHFFFAOYSA-N 1 0 334.807 3.211 20 5 EGBDRO CS[C@H]1CN(c2ccc([N+](=O)[O-])cc2Cl)C[C@H]1[NH+]1CCCC1 ZINC000772580473 1303550506 /nfs/dbraw/zinc/55/05/06/1303550506.db2.gz VYOIZMBBMSNFJW-CABCVRRESA-N 1 0 341.864 3.264 20 5 EGBDRO CC(C)([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1F ZINC000886898288 1303624973 /nfs/dbraw/zinc/62/49/73/1303624973.db2.gz XMKUVHLKFOVXPU-INIZCTEOSA-N 1 0 336.338 3.431 20 5 EGBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@@H](C)[NH+]1CCCCCC1)CC2 ZINC000773996720 1303763161 /nfs/dbraw/zinc/76/31/61/1303763161.db2.gz OAAXMBALNZXFKT-CQSZACIVSA-N 1 0 331.416 3.057 20 5 EGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]Cc2ccc(Cl)nc2)n1 ZINC000774132356 1303776372 /nfs/dbraw/zinc/77/63/72/1303776372.db2.gz TYKIAVSXKZISKL-QWHCGFSZSA-N 1 0 335.795 3.113 20 5 EGBDRO COC(=O)[C@H]1CCCC[C@@]1(C)[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000775992952 1304076293 /nfs/dbraw/zinc/07/62/93/1304076293.db2.gz NMIJOTRCEJHHPE-MLGOLLRUSA-N 1 0 340.807 3.460 20 5 EGBDRO COc1ccc([C@H](C)[N@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000776277242 1304126680 /nfs/dbraw/zinc/12/66/80/1304126680.db2.gz QBOOHXUMWCJRMO-UGSOOPFHSA-N 1 0 330.384 3.330 20 5 EGBDRO COc1ccc2c(c1)CCC[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000776581526 1304175011 /nfs/dbraw/zinc/17/50/11/1304175011.db2.gz JGKUOHNHQQGOHA-LJQANCHMSA-N 1 0 342.395 3.085 20 5 EGBDRO O=[N+]([O-])c1cnn(C[N@@H+]2C[C@H](c3ccccc3)[C@H]3CCCC[C@H]32)c1 ZINC000776770644 1304195623 /nfs/dbraw/zinc/19/56/23/1304195623.db2.gz BFABPYQXSVBBRL-KZNAEPCWSA-N 1 0 326.400 3.407 20 5 EGBDRO CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)C(C)(C)C[NH+]1CCCCCC1 ZINC000778219360 1304421375 /nfs/dbraw/zinc/42/13/75/1304421375.db2.gz ZTLKKZYXWDYBQP-SFHVURJKSA-N 1 0 349.475 3.215 20 5 EGBDRO CNC(=O)C1([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCCC1 ZINC000779173200 1304538468 /nfs/dbraw/zinc/53/84/68/1304538468.db2.gz CLZLTFYDFVYSEX-UHFFFAOYSA-N 1 0 343.383 3.003 20 5 EGBDRO CC(C)C([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C(C)C ZINC000782530655 1304986589 /nfs/dbraw/zinc/98/65/89/1304986589.db2.gz GACYKDVTJJOOEK-UHFFFAOYSA-N 1 0 325.384 3.333 20 5 EGBDRO Cc1cc(N(C)Cc2nnc3ccccn32)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000782948740 1305027254 /nfs/dbraw/zinc/02/72/54/1305027254.db2.gz VYVBJTXKDYWGIA-UHFFFAOYSA-N 1 0 348.366 3.131 20 5 EGBDRO Cc1cccc(C)c1N(C[C@@H](C)[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000891576176 1305096439 /nfs/dbraw/zinc/09/64/39/1305096439.db2.gz XVUYTVQQQUYEAW-CQSZACIVSA-N 1 0 345.399 3.402 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+]CCN2CCc3ccccc32)cc1Cl ZINC000783601595 1305114492 /nfs/dbraw/zinc/11/44/92/1305114492.db2.gz RYGQCPRTNMEXCM-UHFFFAOYSA-N 1 0 331.803 3.401 20 5 EGBDRO CC(C)[C@@H](C(=O)OCc1ccc(Cl)c([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000783775391 1305144773 /nfs/dbraw/zinc/14/47/73/1305144773.db2.gz FSCIQZZNIONMHW-HNNXBMFYSA-N 1 0 340.807 3.412 20 5 EGBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C2CCCCCCC2)cc1 ZINC000783912489 1305161646 /nfs/dbraw/zinc/16/16/46/1305161646.db2.gz UYODJMCKYFVTJY-UHFFFAOYSA-N 1 0 340.445 3.071 20 5 EGBDRO CC(C)(C)[C@H]1CC[N@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000784036266 1305180474 /nfs/dbraw/zinc/18/04/74/1305180474.db2.gz SQCMZJAAUOOYSB-AWEZNQCLSA-N 1 0 329.404 3.179 20 5 EGBDRO CC(=O)NC1CCC([N@H+](C)Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000784548799 1305256877 /nfs/dbraw/zinc/25/68/77/1305256877.db2.gz IXUSHYDKGBIJHS-UHFFFAOYSA-N 1 0 339.823 3.127 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+]C(C)(C)C1CCOCC1 ZINC000786162611 1305527766 /nfs/dbraw/zinc/52/77/66/1305527766.db2.gz YPJDWLXXUYMDSH-UHFFFAOYSA-N 1 0 349.431 3.027 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C1CCN(CC(F)F)CC1 ZINC000892757554 1305541313 /nfs/dbraw/zinc/54/13/13/1305541313.db2.gz KBNYQNRHKSBSOW-UHFFFAOYSA-N 1 0 333.766 3.067 20 5 EGBDRO CCOC(=O)N[C@H]1CCC[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000787406164 1305741742 /nfs/dbraw/zinc/74/17/42/1305741742.db2.gz GKEPSJURKVLCQQ-DNXIFWLFSA-N 1 0 347.415 3.209 20 5 EGBDRO COc1c(O)ccc(C[NH2+]C2CCC(OC(C)C)CC2)c1[N+](=O)[O-] ZINC000893180507 1305748503 /nfs/dbraw/zinc/74/85/03/1305748503.db2.gz FMRPICOVQWAFJJ-UHFFFAOYSA-N 1 0 338.404 3.135 20 5 EGBDRO CCc1ccc([C@@H](CNc2cc(N)ccc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000787890227 1305820638 /nfs/dbraw/zinc/82/06/38/1305820638.db2.gz ZNOUDKOYMQMWTA-GOSISDBHSA-N 1 0 328.416 3.454 20 5 EGBDRO COc1ccc(C[NH2+][C@@H](C(C)C)[C@H](O)c2ccccc2)cc1[N+](=O)[O-] ZINC000788541328 1305967289 /nfs/dbraw/zinc/96/72/89/1305967289.db2.gz VQFCDJKILRNUAK-RBUKOAKNSA-N 1 0 344.411 3.451 20 5 EGBDRO C[C@@H]([NH2+]C[C@H](c1ccc(F)cc1)N(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788559441 1305970706 /nfs/dbraw/zinc/97/07/06/1305970706.db2.gz XYUMKYRQBLSVGI-KZULUSFZSA-N 1 0 346.406 3.270 20 5 EGBDRO C[C@@H]([NH2+]CC(C)(C)N1CCC[C@@H](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788562998 1305972104 /nfs/dbraw/zinc/97/21/04/1305972104.db2.gz MXGIFWHWKMJLDE-ZIAGYGMSSA-N 1 0 334.464 3.338 20 5 EGBDRO COCC[N@H+](Cn1nc(C)c2ccc([N+](=O)[O-])cc21)[C@@H]1CC[C@H](C)C1 ZINC000790479564 1306334506 /nfs/dbraw/zinc/33/45/06/1306334506.db2.gz PVUJCZZINQTGBD-DZGCQCFKSA-N 1 0 346.431 3.347 20 5 EGBDRO CN1CCCC(C)(C)[C@H]1C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000790483902 1306336066 /nfs/dbraw/zinc/33/60/66/1306336066.db2.gz AFWYIOOZGZHIHG-OAHLLOKOSA-N 1 0 325.840 3.458 20 5 EGBDRO COc1cccc(CN(CC[NH+](C)C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000790801296 1308866609 /nfs/dbraw/zinc/86/66/09/1308866609.db2.gz SVHDVARRGYIDAZ-UHFFFAOYSA-N 1 0 329.400 3.172 20 5 EGBDRO C[C@H]1C[NH+](CCCNc2cc(Cl)ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000791407479 1308984697 /nfs/dbraw/zinc/98/46/97/1308984697.db2.gz KTGMTMIIXDHZLK-RYUDHWBXSA-N 1 0 327.812 3.159 20 5 EGBDRO CSc1ccccc1C[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000791604698 1309031847 /nfs/dbraw/zinc/03/18/47/1309031847.db2.gz YGTVGEDRXLBFNQ-MRXNPFEDSA-N 1 0 332.425 3.482 20 5 EGBDRO Cc1nnc([C@H](C)[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])[nH]1 ZINC000894772773 1309061500 /nfs/dbraw/zinc/06/15/00/1309061500.db2.gz BHNYGVYLOBYGOL-LNSITVRQSA-N 1 0 329.404 3.083 20 5 EGBDRO C[C@@]12CC[N@H+](CCOc3ccc([N+](=O)[O-])cc3)C[C@@H]1C2(Cl)Cl ZINC000792905744 1309256906 /nfs/dbraw/zinc/25/69/06/1309256906.db2.gz NILIEQFUOSNBEW-UONOGXRCSA-N 1 0 345.226 3.489 20 5 EGBDRO CSC[C@H]1CCC[N@H+](Cn2nc(C)c3cc([N+](=O)[O-])ccc32)C1 ZINC000793794024 1309442024 /nfs/dbraw/zinc/44/20/24/1309442024.db2.gz APSDHQXOVHJJPX-ZDUSSCGKSA-N 1 0 334.445 3.285 20 5 EGBDRO CCc1ccc([C@@H](O)C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])cc1 ZINC000796451298 1310003452 /nfs/dbraw/zinc/00/34/52/1310003452.db2.gz NADXMBAQAXSFHQ-WPGJWXSHSA-N 1 0 326.396 3.494 20 5 EGBDRO CC(C)(C)OC(=O)NC1(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000897422199 1310331629 /nfs/dbraw/zinc/33/16/29/1310331629.db2.gz CJXZTPACOIRHQF-VURMDHGXSA-N 1 0 347.415 3.255 20 5 EGBDRO CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000897901030 1310512155 /nfs/dbraw/zinc/51/21/55/1310512155.db2.gz NPFPFSLSUCFCRX-NVXWUHKLSA-N 1 0 345.443 3.174 20 5 EGBDRO O=C(OCCC[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000800087856 1310669900 /nfs/dbraw/zinc/66/99/00/1310669900.db2.gz JURUBHLNHXAKMR-UHFFFAOYSA-N 1 0 326.780 3.281 20 5 EGBDRO Cc1cc(F)cc2c1C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000800471744 1310765450 /nfs/dbraw/zinc/76/54/50/1310765450.db2.gz DKEGAQKDANHKLD-SFHVURJKSA-N 1 0 330.359 3.134 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)cc1Cl ZINC000836499981 1320495537 /nfs/dbraw/zinc/49/55/37/1320495537.db2.gz GPJWHAFSMXYWKA-LBPRGKRZSA-N 1 0 339.823 3.017 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C(=O)NC[C@H](CC(C)C)[NH+](C)C)cc1Cl ZINC000836697155 1320522461 /nfs/dbraw/zinc/52/24/61/1320522461.db2.gz GOXDSRSNJFVLSJ-LBPRGKRZSA-N 1 0 341.839 3.263 20 5 EGBDRO O=[N+]([O-])c1ccc(Br)c(CN(CCCCO)C2CC2)c1 ZINC000929702745 1328672911 /nfs/dbraw/zinc/67/29/11/1328672911.db2.gz PFYKADKBEKZTLN-UHFFFAOYSA-N 1 0 343.221 3.094 20 5 EGBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1nc2ccc([N+](=O)[O-])cc2s1 ZINC000804812003 1317287060 /nfs/dbraw/zinc/28/70/60/1317287060.db2.gz CHUQMPVURFRLOD-DGCLKSJQSA-N 1 0 332.429 3.268 20 5 EGBDRO CC(C)[NH+](Cc1cn(CCc2ccc([N+](=O)[O-])cc2)nn1)C(C)C ZINC000900525054 1317299272 /nfs/dbraw/zinc/29/92/72/1317299272.db2.gz TXLAPLARSRDMGM-UHFFFAOYSA-N 1 0 331.420 3.048 20 5 EGBDRO C[C@H]([NH2+]Cc1cnn(CC2CCC2)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000903239931 1317679592 /nfs/dbraw/zinc/67/95/92/1317679592.db2.gz NANNAOSNTNUXCG-LBPRGKRZSA-N 1 0 329.404 3.024 20 5 EGBDRO C[C@@H]([NH2+][C@@H](C)CC(=O)N1CCCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000903287465 1317683094 /nfs/dbraw/zinc/68/30/94/1317683094.db2.gz PGZZKZMQIJKDCW-LSDHHAIUSA-N 1 0 333.432 3.427 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1COc2ccccc2[C@@H]1O ZINC000808729546 1317724654 /nfs/dbraw/zinc/72/46/54/1317724654.db2.gz LUXAVEWEPOQSRX-IWEFOYFVSA-N 1 0 328.368 3.048 20 5 EGBDRO COc1ccc(Cl)cc1CN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000809728379 1317880342 /nfs/dbraw/zinc/88/03/42/1317880342.db2.gz VFVWTIYJFCMEGX-UHFFFAOYSA-N 1 0 335.791 3.222 20 5 EGBDRO CCO[C@H]1COCC[C@@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809980180 1317929667 /nfs/dbraw/zinc/92/96/67/1317929667.db2.gz IJSHKTBYQUTZOF-STQMWFEESA-N 1 0 349.214 3.185 20 5 EGBDRO O=C(O[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000810844544 1318063296 /nfs/dbraw/zinc/06/32/96/1318063296.db2.gz OGDPSVWCNLKJKG-OCCSQVGLSA-N 1 0 330.340 3.125 20 5 EGBDRO O=[N+]([O-])c1ccn(C2CC[NH+]([C@H]3C[C@@H]3c3cccc(F)c3)CC2)n1 ZINC000906587344 1318120739 /nfs/dbraw/zinc/12/07/39/1318120739.db2.gz MLLXIAUNLPCXDV-CVEARBPZSA-N 1 0 330.363 3.123 20 5 EGBDRO CC[NH2+]Cc1cccc(NC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC000906627844 1318130367 /nfs/dbraw/zinc/13/03/67/1318130367.db2.gz PEHYOGGWPHIVAX-ZWKOTPCHSA-N 1 0 339.395 3.447 20 5 EGBDRO CC(C)C(=O)NCCC[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811485398 1318183792 /nfs/dbraw/zinc/18/37/92/1318183792.db2.gz IXLCGVKIMDALPV-UHFFFAOYSA-N 1 0 348.230 3.154 20 5 EGBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000812394282 1318380534 /nfs/dbraw/zinc/38/05/34/1318380534.db2.gz YQBBJLHDHIJSEH-NSHDSACASA-N 1 0 327.812 3.098 20 5 EGBDRO COc1cccc(C(=O)Nc2ccc(C[NH+](C)C)cc2C)c1[N+](=O)[O-] ZINC000909603295 1318499192 /nfs/dbraw/zinc/49/91/92/1318499192.db2.gz FTSJNVDSBNLTHM-UHFFFAOYSA-N 1 0 343.383 3.226 20 5 EGBDRO CC[N@@H+]1CCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[C@@H](C)C1 ZINC000910292724 1318600152 /nfs/dbraw/zinc/60/01/52/1318600152.db2.gz KGGQQAFDKBLPBE-LBPRGKRZSA-N 1 0 347.440 3.366 20 5 EGBDRO Cc1c(C(=O)N2CCCC[C@H]2[C@H](C)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000912816373 1318940819 /nfs/dbraw/zinc/94/08/19/1318940819.db2.gz YIZSNSMSXPYIIG-CJNGLKHVSA-N 1 0 333.432 3.096 20 5 EGBDRO Cc1ccc(C(=O)N2CCCC[C@H]2[C@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000912816049 1318940894 /nfs/dbraw/zinc/94/08/94/1318940894.db2.gz TXTJGSAHYMKMJL-ZBFHGGJFSA-N 1 0 333.432 3.096 20 5 EGBDRO C[C@@H]([NH2+][C@@H](C)c1ccc2[nH]c(=O)[nH]c2c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815579620 1319019279 /nfs/dbraw/zinc/01/92/79/1319019279.db2.gz RDDSZONEIDFEOF-VHSXEESVSA-N 1 0 341.371 3.171 20 5 EGBDRO C[C@@H]([NH2+]C[C@@H]1CCOc2ccccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815578713 1319019919 /nfs/dbraw/zinc/01/99/19/1319019919.db2.gz UPUBQUYVLFMGCM-OCCSQVGLSA-N 1 0 327.384 3.394 20 5 EGBDRO C[C@H]([NH2+][C@H]1CCCN(c2ccccc2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815580618 1319020792 /nfs/dbraw/zinc/02/07/92/1319020792.db2.gz NJRAIYAXICBEJM-HOCLYGCPSA-N 1 0 340.427 3.497 20 5 EGBDRO [NH3+][C@@H](CC1CCCCC1)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000817960545 1319477754 /nfs/dbraw/zinc/47/77/54/1319477754.db2.gz NKRDGPRZASALCQ-HNNXBMFYSA-N 1 0 339.823 3.162 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCCn2ccc3ccccc32)c1 ZINC000818943433 1319583469 /nfs/dbraw/zinc/58/34/69/1319583469.db2.gz ZPKBZEWHWMZOKG-IBGZPJMESA-N 1 0 339.395 3.263 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCCCOc2ccc(F)cc2)c1 ZINC000818945139 1319584074 /nfs/dbraw/zinc/58/40/74/1319584074.db2.gz VGZSOLLGAGENBX-SFHVURJKSA-N 1 0 348.374 3.216 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H](c2ccccc2)[C@H]2CCCO2)c1 ZINC000819001352 1319609942 /nfs/dbraw/zinc/60/99/42/1319609942.db2.gz LNRGGBSIWBXEOQ-QRVBRYPASA-N 1 0 342.395 3.138 20 5 EGBDRO Cc1ccc(NCCC[NH2+]C[C@@H](O)c2ccccc2)c([N+](=O)[O-])c1 ZINC000819093748 1319633676 /nfs/dbraw/zinc/63/36/76/1319633676.db2.gz WJIIWNAZRIRWKE-GOSISDBHSA-N 1 0 329.400 3.028 20 5 EGBDRO CO[C@H](c1ccc(F)cc1)[C@@H](C)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819203767 1319667234 /nfs/dbraw/zinc/66/72/34/1319667234.db2.gz LZKPKJXWRRHYAN-UUWFMWQGSA-N 1 0 348.374 3.133 20 5 EGBDRO CC(C)(C)CC[NH+]1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000917877804 1319885279 /nfs/dbraw/zinc/88/52/79/1319885279.db2.gz VFGNUNRRACEIEM-RMKNXTFCSA-N 1 0 345.443 3.188 20 5 EGBDRO COCCC[NH+]1CCC(Nc2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000820651294 1319927401 /nfs/dbraw/zinc/92/74/01/1319927401.db2.gz DDJROABHIBKTII-UHFFFAOYSA-N 1 0 345.802 3.300 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CC[C@@H]3CC3(Cl)Cl)C2)nc1 ZINC000822750997 1320120198 /nfs/dbraw/zinc/12/01/98/1320120198.db2.gz SNMROAAYNQWQMW-MNOVXSKESA-N 1 0 345.230 3.060 20 5 EGBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000825796381 1320363602 /nfs/dbraw/zinc/36/36/02/1320363602.db2.gz DNDSIQXIQUNFNU-GFCCVEGCSA-N 1 0 339.823 3.161 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cc1Cl ZINC000836740664 1320528076 /nfs/dbraw/zinc/52/80/76/1320528076.db2.gz WZIPHTUOECZEMP-NEPJUHHUSA-N 1 0 339.823 3.159 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C(=O)NCC[N@@H+]2CCCC2(C)C)cc1Cl ZINC000837174798 1320582261 /nfs/dbraw/zinc/58/22/61/1320582261.db2.gz JZJLFTKWAAACQC-UHFFFAOYSA-N 1 0 339.823 3.161 20 5 EGBDRO C[N@H+](CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C1CC(C)(C)C1 ZINC000839617772 1320946275 /nfs/dbraw/zinc/94/62/75/1320946275.db2.gz BOCIPWLVZDFQSN-UHFFFAOYSA-N 1 0 325.796 3.307 20 5 EGBDRO C[N@@H+]1CCCC[C@@H]1CCOC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000840227479 1321054125 /nfs/dbraw/zinc/05/41/25/1321054125.db2.gz LCZMFXVXLNMEIJ-LLVKDONJSA-N 1 0 326.780 3.279 20 5 EGBDRO CCC[NH+](CCC)CCCNC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000859155038 1328933637 /nfs/dbraw/zinc/93/36/37/1328933637.db2.gz ATFZOUPHWCEJHB-UHFFFAOYSA-N 1 0 341.839 3.490 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCCNc1ncccn1)CCCC2 ZINC000841758460 1321308440 /nfs/dbraw/zinc/30/84/40/1321308440.db2.gz MDJKUWMFRWPOPD-QGZVFWFLSA-N 1 0 341.415 3.244 20 5 EGBDRO CC(C)[N@@H+]1CCC[C@@H](COC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000842837501 1321440179 /nfs/dbraw/zinc/44/01/79/1321440179.db2.gz XJBPMNRQPVOKOT-OAHLLOKOSA-N 1 0 349.431 3.060 20 5 EGBDRO CC(C)[C@@H]([NH3+])c1noc(-c2ccc([N+](=O)[O-])cc2Br)n1 ZINC000843155082 1321480632 /nfs/dbraw/zinc/48/06/32/1321480632.db2.gz OZYWOBSKMCZVOH-SNVBAGLBSA-N 1 0 341.165 3.063 20 5 EGBDRO Cc1cc(-c2noc(C[C@H](C)C3CC[NH2+]CC3)n2)cc([N+](=O)[O-])c1 ZINC000843240335 1321494990 /nfs/dbraw/zinc/49/49/90/1321494990.db2.gz VAOOOWMSLKZUBK-LBPRGKRZSA-N 1 0 330.388 3.131 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCC[C@H]2CC2(Cl)Cl)c1 ZINC000844276341 1321584434 /nfs/dbraw/zinc/58/44/34/1321584434.db2.gz FYNGVYVQARUOLT-AAEUAGOBSA-N 1 0 333.215 3.192 20 5 EGBDRO C[N@@H+]1CCC[C@H]2CN(c3cc(Cl)c(F)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000845502064 1321714122 /nfs/dbraw/zinc/71/41/22/1321714122.db2.gz YNKAPAHZZLTUHQ-GWCFXTLKSA-N 1 0 327.787 3.308 20 5 EGBDRO CC(C)(C)[N@@H+]1CC[C@H]1COC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000845734845 1321738259 /nfs/dbraw/zinc/73/82/59/1321738259.db2.gz UHYODJGAXHGAIR-AWEZNQCLSA-N 1 0 345.399 3.035 20 5 EGBDRO C[C@H]1CC[N@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)CCS1 ZINC000848485661 1321963333 /nfs/dbraw/zinc/96/33/33/1321963333.db2.gz SDTJCSKMPFWROB-ZDUSSCGKSA-N 1 0 332.429 3.243 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H](O)c1ccccc1F ZINC000850426561 1322246499 /nfs/dbraw/zinc/24/64/99/1322246499.db2.gz WMQQITWSNYJTFH-BDJLRTHQSA-N 1 0 334.347 3.127 20 5 EGBDRO CCOC(=O)NC1CCC([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000850472327 1322255037 /nfs/dbraw/zinc/25/50/37/1322255037.db2.gz YGNXQIVQJVCOQN-GRTSSRMGSA-N 1 0 335.404 3.303 20 5 EGBDRO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCC[C@](O)(c2ccccc2)C1 ZINC000859583734 1329025166 /nfs/dbraw/zinc/02/51/66/1329025166.db2.gz GOXOWQQBXSNONT-GOSISDBHSA-N 1 0 330.359 3.218 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@](O)(c3ccccc3)C2)cc1 ZINC000859585974 1329026202 /nfs/dbraw/zinc/02/62/02/1329026202.db2.gz FDBJYTVLWLMWLY-LJQANCHMSA-N 1 0 326.396 3.121 20 5 EGBDRO C[C@@H]([NH2+]Cc1ccc(C(=O)NC2CC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000922542923 1322552590 /nfs/dbraw/zinc/55/25/90/1322552590.db2.gz HIHUXXOAOXXQAG-CYBMUJFWSA-N 1 0 339.395 3.338 20 5 EGBDRO CCC[C@H](O)CC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000922825534 1322627113 /nfs/dbraw/zinc/62/71/13/1322627113.db2.gz PJJGRHDKMOHULV-HNNXBMFYSA-N 1 0 335.429 3.359 20 5 EGBDRO Cc1cc(Cc2noc([C@@H]3CCCN3C(C)C)n2)ccc1[N+](=O)[O-] ZINC000923946676 1322853662 /nfs/dbraw/zinc/85/36/62/1322853662.db2.gz QSNLYUBUBUTJHQ-HNNXBMFYSA-N 1 0 330.388 3.422 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc(Cl)nc2)cc1[N+](=O)[O-] ZINC000851906430 1323111917 /nfs/dbraw/zinc/11/19/17/1323111917.db2.gz NSBUWRWUYTZGFP-NSHDSACASA-N 1 0 348.790 3.241 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000931493985 1329130360 /nfs/dbraw/zinc/13/03/60/1329130360.db2.gz BQHXSLQJIRATNW-OAHLLOKOSA-N 1 0 334.420 3.104 20 5 EGBDRO C[N@@H+]1CCC[C@H]2CN(c3ccc(C(F)F)cc3[N+](=O)[O-])CC[C@H]21 ZINC000853449611 1325094712 /nfs/dbraw/zinc/09/47/12/1325094712.db2.gz SVXKFUMCBWAYGT-QWHCGFSZSA-N 1 0 325.359 3.453 20 5 EGBDRO O=[N+]([O-])c1cn(C[N@@H+]2CC[C@@H](c3ccccc3)C2)nc1-c1ccccn1 ZINC000853492197 1325103934 /nfs/dbraw/zinc/10/39/34/1325103934.db2.gz HQJCQGPZVWRNKU-MRXNPFEDSA-N 1 0 349.394 3.300 20 5 EGBDRO CCC[C@H]1CCCN(Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)C1 ZINC000853500982 1325105379 /nfs/dbraw/zinc/10/53/79/1325105379.db2.gz BHTZGBKOHVXCCG-AWEZNQCLSA-N 1 0 329.404 3.323 20 5 EGBDRO C[N@@H+]1CCC[C@]2(CCN(c3ccc(C(F)F)cc3[N+](=O)[O-])C2)C1 ZINC000853647740 1325141127 /nfs/dbraw/zinc/14/11/27/1325141127.db2.gz DKYXIBIJUKVYLE-INIZCTEOSA-N 1 0 325.359 3.455 20 5 EGBDRO CC(=O)c1ccc(N2CC[N@@H+](C)C3(CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000853656492 1325142737 /nfs/dbraw/zinc/14/27/37/1325142737.db2.gz PVVQBPRROUZJNG-UHFFFAOYSA-N 1 0 331.416 3.252 20 5 EGBDRO Cc1cc(Cl)c(C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000855286412 1325368476 /nfs/dbraw/zinc/36/84/76/1325368476.db2.gz RFPKMFNXQFPXRY-LLVKDONJSA-N 1 0 339.823 3.159 20 5 EGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@H]1CCCN1CC(F)(F)F ZINC000926921672 1327777505 /nfs/dbraw/zinc/77/75/05/1327777505.db2.gz GCUSLAFKADSYHH-RISCZKNCSA-N 1 0 343.349 3.198 20 5 EGBDRO C[C@@H](NC(=O)c1cccc(C[NH+](C)C)c1)c1ccc([N+](=O)[O-])cc1 ZINC000928249662 1328256452 /nfs/dbraw/zinc/25/64/52/1328256452.db2.gz UPYMVZMDZQLFLX-CYBMUJFWSA-N 1 0 327.384 3.147 20 5 EGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H]2C[C@H]2c2ccc(F)cc2F)c1 ZINC000863584222 1329564721 /nfs/dbraw/zinc/56/47/21/1329564721.db2.gz UKYVJBSKNZBHAT-UAGQMJEPSA-N 1 0 334.322 3.052 20 5 EGBDRO C[NH+](C)C1(CNc2ccc([N+](=O)[O-])cc2C(F)F)CCOCC1 ZINC000865537907 1329710813 /nfs/dbraw/zinc/71/08/13/1329710813.db2.gz HHWWJLDBHUDGJH-UHFFFAOYSA-N 1 0 329.347 3.055 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](C)CC1(C)OCCO1 ZINC000865674143 1329728146 /nfs/dbraw/zinc/72/81/46/1329728146.db2.gz ORKGQABNVMUCCM-KQGZCTBQSA-N 1 0 334.416 3.377 20 5 EGBDRO C[C@@H]([NH2+][C@H](c1ccccn1)C1CC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000932379267 1329810050 /nfs/dbraw/zinc/81/00/50/1329810050.db2.gz XRRCWFVPNWHTLX-PXAZEXFGSA-N 1 0 340.383 3.058 20 5 EGBDRO O=[N+]([O-])c1cc(C[NH2+][C@H](c2ccncc2)C2CC2)c2c(c1)COCO2 ZINC000934685506 1329999772 /nfs/dbraw/zinc/99/97/72/1329999772.db2.gz IBXJHJWKJGSONZ-KRWDZBQOSA-N 1 0 341.367 3.097 20 5 EGBDRO O=C(CC[NH2+][C@H](c1ccncc1)C1CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000934692078 1330000410 /nfs/dbraw/zinc/00/04/10/1330000410.db2.gz PBOPWYZDYNDQSS-SFHVURJKSA-N 1 0 340.383 3.059 20 5 EGBDRO Cc1ccc2nc(C[NH2+][C@H](C)Cc3ccc(F)cc3[N+](=O)[O-])cn2c1 ZINC000866260523 1330086838 /nfs/dbraw/zinc/08/68/38/1330086838.db2.gz VAAYASYDIZGAAD-CYBMUJFWSA-N 1 0 342.374 3.411 20 5 EGBDRO Cc1ncc2c(n1)CCC[C@H]2[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866267672 1330087707 /nfs/dbraw/zinc/08/77/07/1330087707.db2.gz GWUCDSAOIMJDEW-BDJLRTHQSA-N 1 0 344.390 3.431 20 5 EGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H](CO)c1cccc(F)c1 ZINC000866297260 1330092241 /nfs/dbraw/zinc/09/22/41/1330092241.db2.gz HWCQZEIAAMIHSK-ZBEGNZNMSA-N 1 0 336.338 3.127 20 5 EGBDRO CCCC(=O)N1CCC(C[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001029925527 1341121966 /nfs/dbraw/zinc/12/19/66/1341121966.db2.gz AHLSTDYMMMWYQX-UHFFFAOYSA-N 1 0 333.432 3.065 20 5 EGBDRO C[C@@H]1C[NH2+]CCC[C@@H]1Oc1cc([N+](=O)[O-])ccc1Br ZINC001217984134 1373526536 /nfs/dbraw/zinc/52/65/36/1373526536.db2.gz DWWDKANAZDFCJD-SKDRFNHKSA-N 1 0 329.194 3.124 20 5 EGBDRO CC(C)(C)C(=O)N[C@H]1CC[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001050387105 1348247017 /nfs/dbraw/zinc/24/70/17/1348247017.db2.gz ZIINWLBRDNVZAX-KOMQPUFPSA-N 1 0 347.459 3.406 20 5 EGBDRO C[N@@H+](Cc1cc2ccccc2[nH]1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001324314819 1387589913 /nfs/dbraw/zinc/58/99/13/1387589913.db2.gz OMRNVAQKSDVRKG-SFHVURJKSA-N 1 0 325.368 3.242 20 5 EGBDRO O=C(CCCC1CC1)N1CCCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001196862413 1368701667 /nfs/dbraw/zinc/70/16/67/1368701667.db2.gz JIQHQJSRZMLESN-UHFFFAOYSA-N 1 0 345.443 3.209 20 5 EGBDRO CC(C)(C)/C=C/C(=O)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001199846827 1369279971 /nfs/dbraw/zinc/27/99/71/1369279971.db2.gz GWGZOYVZHNEGLO-DHZHZOJOSA-N 1 0 345.443 3.278 20 5 EGBDRO CC/C(C)=C/C(=O)N1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001200404941 1369362304 /nfs/dbraw/zinc/36/23/04/1369362304.db2.gz ATPLSYIOZOQQHI-SDNWHVSQSA-N 1 0 331.416 3.032 20 5 EGBDRO C[NH+](C)[C@H]1CCOc2c(Nc3cc(O)cc([N+](=O)[O-])c3)cccc21 ZINC001201229238 1369499777 /nfs/dbraw/zinc/49/97/77/1369499777.db2.gz ISKBZZDIYZKDCL-INIZCTEOSA-N 1 0 329.356 3.429 20 5 EGBDRO CC(C)n1ncc2c1[C@@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)CCC2 ZINC001325844162 1388054470 /nfs/dbraw/zinc/05/44/70/1388054470.db2.gz OOYOFHFXZYRHKY-IRXDYDNUSA-N 1 0 344.415 3.073 20 5 EGBDRO COc1cc(C[N@H+](C)[C@H]2CC[C@H](SC)C2)c([N+](=O)[O-])cc1F ZINC001116607645 1370944587 /nfs/dbraw/zinc/94/45/87/1370944587.db2.gz YQOAAFKFGAAZDY-RYUDHWBXSA-N 1 0 328.409 3.458 20 5 EGBDRO COc1cc(Nc2ccccc2[N+](=O)[O-])ccc1N1CC[NH+](C)CC1 ZINC001206186886 1370985807 /nfs/dbraw/zinc/98/58/07/1370985807.db2.gz DTRMFRMADXLYNB-UHFFFAOYSA-N 1 0 342.399 3.099 20 5 EGBDRO C[C@H]([NH2+]CCCOCc1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC001117711656 1371067211 /nfs/dbraw/zinc/06/72/11/1371067211.db2.gz HUMJVANGIBCJQF-AWEZNQCLSA-N 1 0 329.400 3.435 20 5 EGBDRO Cc1c(C(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])ccc2c[nH+]cn21 ZINC001117765963 1371078838 /nfs/dbraw/zinc/07/88/38/1371078838.db2.gz HHFPGRZCVZBBCI-UHFFFAOYSA-N 1 0 338.367 3.216 20 5 EGBDRO CCc1ccc([C@H](NCC[C@H](C)[NH2+]C)c2ccc([N+](=O)[O-])cc2)o1 ZINC001118059141 1371126576 /nfs/dbraw/zinc/12/65/76/1371126576.db2.gz OJSGLFFHQHULMV-SCLBCKFNSA-N 1 0 331.416 3.427 20 5 EGBDRO CCOC(=O)C[C@@H]1CCC[N@@H+]1C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC001326162182 1388121619 /nfs/dbraw/zinc/12/16/19/1388121619.db2.gz JOFZHEBTUOQMKY-DKGMDFAASA-N 1 0 332.400 3.416 20 5 EGBDRO CC(C)(C)[NH+]1CCC(NC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC001119855217 1371414689 /nfs/dbraw/zinc/41/46/89/1371414689.db2.gz CPBQMRSBEHTHCA-IRXDYDNUSA-N 1 0 345.443 3.077 20 5 EGBDRO CO[C@@H](C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC001326283821 1388142140 /nfs/dbraw/zinc/14/21/40/1388142140.db2.gz QQPMATPUYBBQFS-GTNSWQLSSA-N 1 0 333.363 3.354 20 5 EGBDRO CC(C)=CC(=O)NC1CC2(C1)CC([NH2+]Cc1ccccc1[N+](=O)[O-])C2 ZINC001120576643 1371617985 /nfs/dbraw/zinc/61/79/85/1371617985.db2.gz LYIFGBWPPLAKJN-UHFFFAOYSA-N 1 0 343.427 3.078 20 5 EGBDRO Cc1cncc([N+](=O)[O-])c1NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001326376618 1388170340 /nfs/dbraw/zinc/17/03/40/1388170340.db2.gz NBLZPJBFJISHPV-QGZVFWFLSA-N 1 0 340.427 3.044 20 5 EGBDRO CCOC(=O)[C@@H]1C[NH2+]CCN1Cc1c2ccccc2cc2ccccc21 ZINC001211361693 1372540507 /nfs/dbraw/zinc/54/05/07/1372540507.db2.gz AJUWLJDISKFUGG-NRFANRHFSA-N 1 0 348.446 3.330 20 5 EGBDRO O=[N+]([O-])c1ccc(/C=C/c2ccc(O[C@@H]3C[NH2+]CCOC3)cc2)cc1 ZINC001218045276 1373547670 /nfs/dbraw/zinc/54/76/70/1373547670.db2.gz OYZIRCNQELNVHO-VQSDEBNRSA-N 1 0 340.379 3.132 20 5 EGBDRO O=[N+]([O-])c1cc(OC2CC3(C2)CCC[NH2+]C3)ccc1Br ZINC001218252102 1373583935 /nfs/dbraw/zinc/58/39/35/1373583935.db2.gz NOFSSXBFUKTZQY-UHFFFAOYSA-N 1 0 341.205 3.268 20 5 EGBDRO Cc1c(Cl)cc([N+](=O)[O-])c(O[C@@H]2C[NH2+][C@@H]2C)c1Br ZINC001218385981 1373604352 /nfs/dbraw/zinc/60/43/52/1373604352.db2.gz JMAMNSIROWJMER-HZGVNTEJSA-N 1 0 335.585 3.058 20 5 EGBDRO Cc1cc(Br)c(O[C@@H]2C[NH2+]CCC23CC3)cc1[N+](=O)[O-] ZINC001218402716 1373608229 /nfs/dbraw/zinc/60/82/29/1373608229.db2.gz FFTLFBLNXDTPAE-CYBMUJFWSA-N 1 0 341.205 3.187 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCCCC2)cc1O[C@H]1C[NH2+]CCC12CC2 ZINC001218404472 1373608805 /nfs/dbraw/zinc/60/88/05/1373608805.db2.gz NPOIBLVDHREANE-KRWDZBQOSA-N 1 0 331.416 3.106 20 5 EGBDRO CC(C)(C)OC(=O)c1ccc(O[C@H]2C[NH2+]CCC23CC3)c([N+](=O)[O-])c1 ZINC001218407036 1373608942 /nfs/dbraw/zinc/60/89/42/1373608942.db2.gz ZVXHYTRQSRFMRN-HNNXBMFYSA-N 1 0 348.399 3.071 20 5 EGBDRO C[C@H]1CC[C@H](Oc2c(F)cc(Br)cc2[N+](=O)[O-])C[NH2+]1 ZINC001218409963 1373609500 /nfs/dbraw/zinc/60/95/00/1373609500.db2.gz ZNAVIZMJLQXGFT-CBAPKCEASA-N 1 0 333.157 3.016 20 5 EGBDRO Nc1cc2nc3ccccc3nc2cc1NC(=O)C1CCC(C[NH3+])CC1 ZINC001218859506 1373662131 /nfs/dbraw/zinc/66/21/31/1373662131.db2.gz PDJVKWATGWMSIK-UHFFFAOYSA-N 1 0 349.438 3.069 20 5 EGBDRO O=[N+]([O-])c1ccc(F)c(F)c1OC1CCN(c2cc[nH+]cc2)CC1 ZINC001225962313 1375180137 /nfs/dbraw/zinc/18/01/37/1375180137.db2.gz GTRPSWGFYRGXQX-UHFFFAOYSA-N 1 0 335.310 3.316 20 5 EGBDRO CC(C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ncc(Cl)cc1[N+](=O)[O-])C2 ZINC001226131750 1375208876 /nfs/dbraw/zinc/20/88/76/1375208876.db2.gz QDXVAWKYUCBDFK-ITGUQSILSA-N 1 0 325.796 3.426 20 5 EGBDRO COCCC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC001226761329 1375328140 /nfs/dbraw/zinc/32/81/40/1375328140.db2.gz SHQLITNDMVUSCB-UHFFFAOYSA-N 1 0 328.796 3.128 20 5 EGBDRO COC(=O)c1cccc([N+](=O)[O-])c1O[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC001227124810 1375394215 /nfs/dbraw/zinc/39/42/15/1375394215.db2.gz PQOUCGKFBAVISZ-WDNDVIMCSA-N 1 0 348.399 3.164 20 5 EGBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1nc(C(F)(F)F)ccc1[N+](=O)[O-])C2 ZINC001227244186 1375411190 /nfs/dbraw/zinc/41/11/90/1375411190.db2.gz WENRVTLBJSHHOV-ILWJIGKKSA-N 1 0 331.294 3.013 20 5 EGBDRO CC[N@@H+]1CCC[C@@H](Oc2cc(F)c(Br)cc2[N+](=O)[O-])C1 ZINC001227284925 1375416023 /nfs/dbraw/zinc/41/60/23/1375416023.db2.gz RRDZTFHVMJSCQV-SECBINFHSA-N 1 0 347.184 3.360 20 5 EGBDRO C[C@H](C[NH+](C)C)Oc1c2ccccc2c(O)c2c(O)ccc(O)c12 ZINC001228174584 1375524773 /nfs/dbraw/zinc/52/47/73/1375524773.db2.gz SWIKLRHJQZURGA-LLVKDONJSA-N 1 0 327.380 3.439 20 5 EGBDRO Cc1cc([N+](=O)[O-])cc(C)c1O[C@H]1CC[C@@H]([NH+]2CCOCC2)CC1 ZINC001228572117 1375602080 /nfs/dbraw/zinc/60/20/80/1375602080.db2.gz XBOKXWDIUWEWKT-WOVMCDHWSA-N 1 0 334.416 3.234 20 5 EGBDRO Cc1[nH]c(=O)cc(O[C@H](CC[NH+](C)C)c2ccccc2)c1[N+](=O)[O-] ZINC001228687051 1375641133 /nfs/dbraw/zinc/64/11/33/1375641133.db2.gz UBPIEBPNUYUODW-CQSZACIVSA-N 1 0 331.372 3.076 20 5 EGBDRO COCCC[NH+]1CCC(Oc2ccc3cccc([N+](=O)[O-])c3n2)CC1 ZINC001233840102 1376724907 /nfs/dbraw/zinc/72/49/07/1376724907.db2.gz APHCSCHTQABWRZ-UHFFFAOYSA-N 1 0 345.399 3.023 20 5 EGBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccc2ccccc2c1 ZINC001148862922 1379285663 /nfs/dbraw/zinc/28/56/63/1379285663.db2.gz MAJZYJVSOYBTOI-UHFFFAOYSA-N 1 0 349.390 3.268 20 5 EGBDRO CCC1(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC001152054249 1379852379 /nfs/dbraw/zinc/85/23/79/1379852379.db2.gz XMOICWFXCHLUSB-UHFFFAOYSA-N 1 0 333.432 3.161 20 5 EGBDRO O=C(CCCC1CCCC1)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001152684182 1379970118 /nfs/dbraw/zinc/97/01/18/1379970118.db2.gz CRZYFZZTSLTHQE-UHFFFAOYSA-N 1 0 333.432 3.161 20 5 EGBDRO O=C(CC1CCCCC1)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001154407609 1380272420 /nfs/dbraw/zinc/27/24/20/1380272420.db2.gz WJILFDRZCYXRLK-UHFFFAOYSA-N 1 0 333.432 3.161 20 5 EGBDRO CCOc1nc(-n2c(C)c(C)c3cc(C[NH3+])ccc32)ccc1[N+](=O)[O-] ZINC001155901295 1380504118 /nfs/dbraw/zinc/50/41/18/1380504118.db2.gz BSDASOIHIMEWTJ-UHFFFAOYSA-N 1 0 340.383 3.408 20 5 EGBDRO O=[N+]([O-])c1cnc(Cl)nc1NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC001156523166 1380588055 /nfs/dbraw/zinc/58/80/55/1380588055.db2.gz MBMBPWVUJGDVDM-CYBMUJFWSA-N 1 0 347.806 3.287 20 5 EGBDRO CC(C)[N@H+](C)[C@@H]1CCN(C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)C1 ZINC001157011165 1380751174 /nfs/dbraw/zinc/75/11/74/1380751174.db2.gz XPQHHZZZQKKHPK-SNVBAGLBSA-N 1 0 348.781 3.107 20 5 EGBDRO C[N@@H+]1CCC[C@H]2CN(c3cc4ccc(Cl)nc4cc3[N+](=O)[O-])C[C@@H]21 ZINC001157282100 1380833159 /nfs/dbraw/zinc/83/31/59/1380833159.db2.gz LYENWNXWBBFDMJ-LRDDRELGSA-N 1 0 346.818 3.327 20 5 EGBDRO O=[N+]([O-])c1ccc2ccc(N3CCCC[C@]34CCC[NH2+]C4)nc2c1 ZINC001157472504 1380923068 /nfs/dbraw/zinc/92/30/68/1380923068.db2.gz YRBLRPXIMXPWTD-GOSISDBHSA-N 1 0 326.400 3.256 20 5 EGBDRO O=[N+]([O-])c1cccc2ccc(N3CCCC[C@@]34CCC[NH2+]C4)nc21 ZINC001157471904 1380923542 /nfs/dbraw/zinc/92/35/42/1380923542.db2.gz PBBNWHLKCZDPLY-SFHVURJKSA-N 1 0 326.400 3.256 20 5 EGBDRO C[NH2+]CCN(C(C)(C)C)C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1 ZINC001157825821 1381044034 /nfs/dbraw/zinc/04/40/34/1381044034.db2.gz UAOWKJHUDILKND-UHFFFAOYSA-N 1 0 336.770 3.012 20 5 EGBDRO CCN(c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1)[C@H]1CCC[NH2+]C1 ZINC001158207190 1381158742 /nfs/dbraw/zinc/15/87/42/1381158742.db2.gz HVKBATUHIZKOLU-HNNXBMFYSA-N 1 0 344.390 3.374 20 5 EGBDRO CC1(C)C[C@H](Nc2ncnc3ccc([N+](=O)[O-])cc32)C[C@@](C)(C[NH3+])C1 ZINC001158268727 1381179207 /nfs/dbraw/zinc/17/92/07/1381179207.db2.gz QSJBHYVHAAUXDW-KPZWWZAWSA-N 1 0 343.431 3.494 20 5 EGBDRO O=C(CC1CC1)NCCC1=CC[N@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001159027490 1381520071 /nfs/dbraw/zinc/52/00/71/1381520071.db2.gz JUJLMHZIOIASPP-UHFFFAOYSA-N 1 0 343.427 3.033 20 5 EGBDRO CC(C)CC1(C(=O)NCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001159592537 1381839299 /nfs/dbraw/zinc/83/92/99/1381839299.db2.gz JVIMPBXGDYCHRZ-UHFFFAOYSA-N 1 0 333.432 3.017 20 5 EGBDRO O=[N+]([O-])c1cc(F)cnc1N[C@@H](Cc1ccccc1)C[NH+]1CCCC1 ZINC001159653382 1381859348 /nfs/dbraw/zinc/85/93/48/1381859348.db2.gz IRXPIURSPSOWQZ-INIZCTEOSA-N 1 0 344.390 3.248 20 5 EGBDRO Nc1ccc(Nc2c(F)cccc2OC2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC001160152387 1382017078 /nfs/dbraw/zinc/01/70/78/1382017078.db2.gz OCWCWMXZCPWTHC-UHFFFAOYSA-N 1 0 346.362 3.191 20 5 EGBDRO Cc1ccc(Nc2ccc(C3(O)CC[NH2+]CC3)cc2)c([N+](=O)[O-])c1 ZINC001160375348 1382086562 /nfs/dbraw/zinc/08/65/62/1382086562.db2.gz LKJZYRQYUKYCEX-UHFFFAOYSA-N 1 0 327.384 3.218 20 5 EGBDRO O=[N+]([O-])c1cc2ccccc2nc1N[C@H]1CC[NH2+]C[C@@H]1C(F)(F)F ZINC001160741123 1382183811 /nfs/dbraw/zinc/18/38/11/1382183811.db2.gz QISLDHSACSHEQR-JQWIXIFHSA-N 1 0 340.305 3.095 20 5 EGBDRO O=[N+]([O-])c1ccc2c(ccnc2N[C@@H]2CC[NH2+]C[C@H]2C(F)(F)F)c1 ZINC001160747972 1382185959 /nfs/dbraw/zinc/18/59/59/1382185959.db2.gz OUHYWQXPIPZKLS-CHWSQXEVSA-N 1 0 340.305 3.095 20 5 EGBDRO O=[N+]([O-])c1ccc2ccnc(NCC[NH+]3CCC(F)(F)CC3)c2c1 ZINC001160752051 1382186763 /nfs/dbraw/zinc/18/67/63/1382186763.db2.gz HDYAKJDBPBAJTC-UHFFFAOYSA-N 1 0 336.342 3.286 20 5 EGBDRO Cc1ccc(-c2ccc(N[C@@H](C[NH3+])C(C)(C)C)nn2)cc1[N+](=O)[O-] ZINC001160914175 1382232377 /nfs/dbraw/zinc/23/23/77/1382232377.db2.gz IBYHSZOSZXYLPL-HNNXBMFYSA-N 1 0 329.404 3.146 20 5 EGBDRO CSc1nc(Cl)nc(Nc2cccc(CC[NH3+])c2)c1[N+](=O)[O-] ZINC001161078294 1382292129 /nfs/dbraw/zinc/29/21/29/1382292129.db2.gz ASUWSJPKCWMBLD-UHFFFAOYSA-N 1 0 339.808 3.005 20 5 EGBDRO CC(C)(C)C[NH+]1CCC(Nc2ccc3[nH]cc([N+](=O)[O-])c3n2)CC1 ZINC001161209093 1382342726 /nfs/dbraw/zinc/34/27/26/1382342726.db2.gz YGWBJHILLXGSLH-UHFFFAOYSA-N 1 0 331.420 3.394 20 5 EGBDRO COc1ccnc(N(CC[NH3+])c2cccc3ccccc32)c1[N+](=O)[O-] ZINC001161999486 1382594010 /nfs/dbraw/zinc/59/40/10/1382594010.db2.gz IQCPMBNJOTTXJL-UHFFFAOYSA-N 1 0 338.367 3.248 20 5 EGBDRO CC(C)Oc1nc(NC[C@]2(CC3CC3)CCC[NH2+]2)ccc1[N+](=O)[O-] ZINC001162352811 1382738227 /nfs/dbraw/zinc/73/82/27/1382738227.db2.gz ATMASMRUGVZPJV-QGZVFWFLSA-N 1 0 334.420 3.111 20 5 EGBDRO C[NH+](C)CCOc1cc(N[C@@H]2CCCC[C@H]2F)ccc1[N+](=O)[O-] ZINC001162513279 1382778239 /nfs/dbraw/zinc/77/82/39/1382778239.db2.gz VYPZNKFILAPYPB-ZIAGYGMSSA-N 1 0 325.384 3.228 20 5 EGBDRO O=[N+]([O-])c1ccc(Cl)c(NCC[C@H]2C[NH2+]Cc3cccn3C2)c1 ZINC001163060997 1382958351 /nfs/dbraw/zinc/95/83/51/1382958351.db2.gz QFJIKAWRXIYSDF-LBPRGKRZSA-N 1 0 334.807 3.271 20 5 EGBDRO Cc1cc(Cl)nc(NC2CCC(C[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC001163299415 1383015909 /nfs/dbraw/zinc/01/59/09/1383015909.db2.gz WIDMDNSUUNWWAR-UHFFFAOYSA-N 1 0 326.828 3.484 20 5 EGBDRO CCOc1cnc(-n2c(C[NH3+])cc3cc(Cl)ccc32)c([N+](=O)[O-])c1 ZINC001163898114 1383133984 /nfs/dbraw/zinc/13/39/84/1383133984.db2.gz RSUBCULSZYPLSW-UHFFFAOYSA-N 1 0 346.774 3.445 20 5 EGBDRO O=C(CC1CCC1)NCCC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001163958416 1383139855 /nfs/dbraw/zinc/13/98/55/1383139855.db2.gz HLKUOPYIMSMKNI-UHFFFAOYSA-N 1 0 345.443 3.161 20 5 EGBDRO C[C@@H]1CC[C@H](C[NH3+])N(c2cc3ccc(Cl)nc3cc2[N+](=O)[O-])C1 ZINC001164080073 1383153857 /nfs/dbraw/zinc/15/38/57/1383153857.db2.gz YUQWFJFVOYMHAQ-ZYHUDNBSSA-N 1 0 334.807 3.360 20 5 EGBDRO C[C@@H]1CC[C@@H](C[NH3+])CN1c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC001164474719 1383190355 /nfs/dbraw/zinc/19/03/55/1383190355.db2.gz UEQMBFAUTAAGJW-OLZOCXBDSA-N 1 0 344.390 3.360 20 5 EGBDRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1c1cc([N+](=O)[O-])ccn1 ZINC001165202732 1383248054 /nfs/dbraw/zinc/24/80/54/1383248054.db2.gz ZFYWACVNRWSJRE-LSDHHAIUSA-N 1 0 326.400 3.089 20 5 EGBDRO [NH3+]CC1(F)CCN(c2cc(Cl)nc3ccc([N+](=O)[O-])cc32)CC1 ZINC001165264257 1383261340 /nfs/dbraw/zinc/26/13/40/1383261340.db2.gz YXSNNOOLRYTPLT-UHFFFAOYSA-N 1 0 338.770 3.064 20 5 EGBDRO Cc1cccc(C)c1C(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001167248983 1383575430 /nfs/dbraw/zinc/57/54/30/1383575430.db2.gz PIVHASOHVJSFOQ-UHFFFAOYSA-N 1 0 341.411 3.121 20 5 EGBDRO CC1(C)CC([NH3+])CC(C)(C)N1c1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC001167624656 1383690939 /nfs/dbraw/zinc/69/09/39/1383690939.db2.gz CXVGHYKJMQKCDR-UHFFFAOYSA-N 1 0 346.353 3.493 20 5 EGBDRO C[C@H]1CCCC[N@@H+]1CCCNc1cc2c(c([N+](=O)[O-])c1)NN(C)C2 ZINC001167755042 1383732471 /nfs/dbraw/zinc/73/24/71/1383732471.db2.gz ZETWLMIREAWSPW-ZDUSSCGKSA-N 1 0 333.436 3.044 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2ccc(Br)c(F)c2)C1 ZINC001168975812 1384076787 /nfs/dbraw/zinc/07/67/87/1384076787.db2.gz XHNBSOVRHLFGBY-QWRGUYRKSA-N 1 0 331.185 3.123 20 5 EGBDRO Cc1c(Br)cccc1C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168987760 1384079946 /nfs/dbraw/zinc/07/99/46/1384079946.db2.gz KCEJWOIOUWTDJY-DGCLKSJQSA-N 1 0 327.222 3.293 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H]2CCc3c2cccc3Br)C1 ZINC001168988019 1384080015 /nfs/dbraw/zinc/08/00/15/1384080015.db2.gz MPCXBQOCNCYGMG-JRPNMDOOSA-N 1 0 339.233 3.471 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2c(F)cc(Br)cc2F)C1 ZINC001168991330 1384080716 /nfs/dbraw/zinc/08/07/16/1384080716.db2.gz GIEBVPQQQCJOTC-WPRPVWTQSA-N 1 0 349.175 3.262 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2c(F)cc(Br)cc2F)C1 ZINC001168991325 1384081019 /nfs/dbraw/zinc/08/10/19/1384081019.db2.gz GIEBVPQQQCJOTC-PSASIEDQSA-N 1 0 349.175 3.262 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2ccc(Oc3ccccn3)cc2)C1 ZINC001168998387 1384083276 /nfs/dbraw/zinc/08/32/76/1384083276.db2.gz MCVWTTNPUHEWPD-CVEARBPZSA-N 1 0 327.384 3.409 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCn3cccc3[C@@H]2c2ccccc2)C1 ZINC001169007437 1384086040 /nfs/dbraw/zinc/08/60/40/1384086040.db2.gz NRZNXLLTLQWBSC-AYBZRNKSSA-N 1 0 325.412 3.339 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCC(OCc3ccc(F)cc3)CC2)C1 ZINC001169030081 1384094427 /nfs/dbraw/zinc/09/44/27/1384094427.db2.gz VZDOKJURNONAOH-DOTOQJQBSA-N 1 0 336.407 3.252 20 5 EGBDRO C[N@H+](Cc1cccc(Br)c1F)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169036645 1384096288 /nfs/dbraw/zinc/09/62/88/1384096288.db2.gz PJRFCENIJJWIJC-CMPLNLGQSA-N 1 0 345.212 3.465 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@H](n2nc(C3CC[NH2+]CC3)c3ccccc32)C1 ZINC001169043639 1384099627 /nfs/dbraw/zinc/09/96/27/1384099627.db2.gz HHJNMIIOFGVDDS-HIFRSBDPSA-N 1 0 328.416 3.121 20 5 EGBDRO O=C1CC2(CC[NH+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)c2ccccc21 ZINC001169056350 1384101801 /nfs/dbraw/zinc/10/18/01/1384101801.db2.gz SJGXPFIHVOHWOW-GJZGRUSLSA-N 1 0 328.412 3.052 20 5 EGBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2CC(C)(C)C[C@@](C)(C[NH3+])C2)c1 ZINC001169151395 1384115402 /nfs/dbraw/zinc/11/54/02/1384115402.db2.gz JFUOTHNEDIOADG-ACJLOTCBSA-N 1 0 349.431 3.337 20 5 EGBDRO [NH3+]Cc1cccc2c1cnn2-c1ccc(C(F)(F)F)c([N+](=O)[O-])c1 ZINC001169193282 1384121547 /nfs/dbraw/zinc/12/15/47/1384121547.db2.gz YBFIVCIKRFMGGM-UHFFFAOYSA-N 1 0 336.273 3.411 20 5 EGBDRO O=[N+]([O-])c1cc(F)cc(Br)c1NCC[C@H]1CCC[NH2+]1 ZINC001169564178 1384160142 /nfs/dbraw/zinc/16/01/42/1384160142.db2.gz IVIUEXNZOUSTPE-SECBINFHSA-N 1 0 332.173 3.050 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+]CCCc2ncccc2C)c([N+](=O)[O-])c1 ZINC001170298671 1384284897 /nfs/dbraw/zinc/28/48/97/1384284897.db2.gz NNVJKBOOPXIFCP-HNNXBMFYSA-N 1 0 343.427 3.460 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2Cc3ccccc3O2)c([N+](=O)[O-])c1 ZINC001170298023 1384285174 /nfs/dbraw/zinc/28/51/74/1384285174.db2.gz YKMMWPAMMNEQCL-DYVFJYSZSA-N 1 0 342.395 3.128 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+]CCOc2ccccc2)c([N+](=O)[O-])c1 ZINC001170299157 1384285409 /nfs/dbraw/zinc/28/54/09/1384285409.db2.gz RGQVABGRMGRGPH-AWEZNQCLSA-N 1 0 330.384 3.203 20 5 EGBDRO COc1ccc(C[C@H](C)n2nc(C[NH3+])c3ccccc32)c([N+](=O)[O-])c1 ZINC001170311023 1384287794 /nfs/dbraw/zinc/28/77/94/1384287794.db2.gz YRRCDYPXCKTTPX-LBPRGKRZSA-N 1 0 340.383 3.216 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+][C@@H](C)Cc2cccc(O)c2)c([N+](=O)[O-])c1 ZINC001170317454 1384290248 /nfs/dbraw/zinc/29/02/48/1384290248.db2.gz IUWMLMWGHXCHDN-KBPBESRZSA-N 1 0 344.411 3.461 20 5 EGBDRO COc1ccc(C[C@@H](C)[N@@H+]2CC[C@H](c3ccccn3)C2)c([N+](=O)[O-])c1 ZINC001170346563 1384296867 /nfs/dbraw/zinc/29/68/67/1384296867.db2.gz OFVZADBQCPTRLN-ZBFHGGJFSA-N 1 0 341.411 3.419 20 5 EGBDRO COc1ccc(C[C@H](C)N2CC[C@H]([NH+]3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC001170347986 1384296940 /nfs/dbraw/zinc/29/69/40/1384296940.db2.gz ULAZYENIIQADKL-RDJZCZTQSA-N 1 0 347.459 3.095 20 5 EGBDRO Cc1ccc2c(C[C@H](C)[NH3+])cn(-c3ncnc(Cl)c3[N+](=O)[O-])c2c1 ZINC001171164944 1384458426 /nfs/dbraw/zinc/45/84/26/1384458426.db2.gz LSQQMRORKWTJCV-JTQLQIEISA-N 1 0 345.790 3.180 20 5 EGBDRO Cc1ccc2c(C[C@@H](C)[NH3+])cn(-c3cnc(F)c([N+](=O)[O-])c3)c2c1 ZINC001171167513 1384458886 /nfs/dbraw/zinc/45/88/86/1384458886.db2.gz GSAPZIIWKDYMOW-LLVKDONJSA-N 1 0 328.347 3.271 20 5 EGBDRO CC(C)(C)OC(=O)c1ccc(NC[C@H]2CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC001171335057 1384496666 /nfs/dbraw/zinc/49/66/66/1384496666.db2.gz RSKCQKGVXHYPKY-CYBMUJFWSA-N 1 0 335.404 3.104 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]C[C@H](O)c1ccccc1)CC2 ZINC001172898712 1384873508 /nfs/dbraw/zinc/87/35/08/1384873508.db2.gz NTKWRLGDUUOZPI-MJGOQNOKSA-N 1 0 326.396 3.165 20 5 EGBDRO COc1ccc(C[NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)cc1O ZINC001172903754 1384874758 /nfs/dbraw/zinc/87/47/58/1384874758.db2.gz HZUKHFPTRNJTPS-INIZCTEOSA-N 1 0 342.395 3.346 20 5 EGBDRO CC(C)C[NH+]1CCN([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172902834 1384875017 /nfs/dbraw/zinc/87/50/17/1384875017.db2.gz CWJIZZDTHJAYPF-GOSISDBHSA-N 1 0 331.460 3.116 20 5 EGBDRO C[C@@]1(CO)CCC[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172903685 1384875066 /nfs/dbraw/zinc/87/50/66/1384875066.db2.gz INZXJFUIPXSSPF-IEBWSBKVSA-N 1 0 332.444 3.327 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@H]1CCCC3(C1)OCCO3)CC2 ZINC001172904574 1384875499 /nfs/dbraw/zinc/87/54/99/1384875499.db2.gz YGEBFLAEJLGMJO-IRXDYDNUSA-N 1 0 346.427 3.118 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CC[C@@]3(C1)CCCCO3)CC2 ZINC001172904401 1384875519 /nfs/dbraw/zinc/87/55/19/1384875519.db2.gz NDPHEFBKNCRCPF-IEBWSBKVSA-N 1 0 330.428 3.487 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]C[C@H](O)C1CCCCC1)CC2 ZINC001172912119 1384876006 /nfs/dbraw/zinc/87/60/06/1384876006.db2.gz MFERHKMUNHMPHJ-HKUYNNGSSA-N 1 0 332.444 3.373 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H](N1CCC[N@@H+]3CCC[C@@H]3C1)CC2 ZINC001172914489 1384876655 /nfs/dbraw/zinc/87/66/55/1384876655.db2.gz GYPCATPWTHFZEX-IEBWSBKVSA-N 1 0 329.444 3.012 20 5 EGBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH2+]Cc3ccoc3)CC2)c(F)c1 ZINC001173010388 1384897894 /nfs/dbraw/zinc/89/78/94/1384897894.db2.gz GSKDIRJIICATDJ-UHFFFAOYSA-N 1 0 337.326 3.225 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C2(c3ccncc3)CC2)c1F ZINC001173188589 1384933396 /nfs/dbraw/zinc/93/33/96/1384933396.db2.gz KZDAAEDDQVUMIY-GFCCVEGCSA-N 1 0 345.374 3.347 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001173211249 1384936634 /nfs/dbraw/zinc/93/66/34/1384936634.db2.gz REDLKYXCAOWJQE-DZGCQCFKSA-N 1 0 349.431 3.125 20 5 EGBDRO COc1ccc(OCC[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001173214604 1384937345 /nfs/dbraw/zinc/93/73/45/1384937345.db2.gz PVIISNJTWBMCLZ-CQSZACIVSA-N 1 0 330.384 3.203 20 5 EGBDRO CC(=O)Nc1cccc(C[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001173215110 1384937673 /nfs/dbraw/zinc/93/76/73/1384937673.db2.gz SHILECDBUPJJIA-CYBMUJFWSA-N 1 0 327.384 3.274 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](CN(C)C)c1ccccc1 ZINC001173215327 1384937694 /nfs/dbraw/zinc/93/76/94/1384937694.db2.gz VARWOUVOVGLPAQ-HNAYVOBHSA-N 1 0 327.428 3.418 20 5 EGBDRO COc1ccc(C[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC001173217617 1384937830 /nfs/dbraw/zinc/93/78/30/1384937830.db2.gz XNQWUTATQZVZLD-ZDUSSCGKSA-N 1 0 330.384 3.333 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cnc2ccc(F)cn12 ZINC001173223588 1384939356 /nfs/dbraw/zinc/93/93/56/1384939356.db2.gz BFFWMKPQTUYTPA-GFCCVEGCSA-N 1 0 328.347 3.102 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](C)[C@](O)(C(F)(F)F)C1 ZINC001173226451 1384940030 /nfs/dbraw/zinc/94/00/30/1384940030.db2.gz LQYIRQXARJBCGK-XUJVJEKNSA-N 1 0 346.349 3.161 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N(c1ccccn1)C1CC[NH2+]CC1 ZINC001173233657 1384941585 /nfs/dbraw/zinc/94/15/85/1384941585.db2.gz XSTHBTRCNMELAC-HNNXBMFYSA-N 1 0 340.427 3.179 20 5 EGBDRO CCc1noc([C@@H]2CCC[N@@H+]([C@@H](C)Cc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC001173234184 1384942111 /nfs/dbraw/zinc/94/21/11/1384942111.db2.gz PLGMWOYEFZQFAR-DZGCQCFKSA-N 1 0 344.415 3.351 20 5 EGBDRO Cc1cccc(O[C@H]2CC[N@@H+]([C@H](C)Cc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC001173237748 1384943126 /nfs/dbraw/zinc/94/31/26/1384943126.db2.gz LVKHHLPBMRMOIE-QAPCUYQASA-N 1 0 341.411 3.383 20 5 EGBDRO Cc1cc(C(=O)NCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)sc1C ZINC001175591913 1385343625 /nfs/dbraw/zinc/34/36/25/1385343625.db2.gz MXBCEBIOBYJQOR-UHFFFAOYSA-N 1 0 347.440 3.183 20 5 EGBDRO C[NH+]1CCN(Cc2ccccc2Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC001175736965 1385389933 /nfs/dbraw/zinc/38/99/33/1385389933.db2.gz QDAMVWKUXOLUNP-UHFFFAOYSA-N 1 0 344.390 3.225 20 5 EGBDRO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC001318396557 1385671434 /nfs/dbraw/zinc/67/14/34/1385671434.db2.gz IDIITDNKJBQMHX-ZIAGYGMSSA-N 1 0 340.811 3.243 20 5 EGBDRO O=C(CC(C1CC1)C1CC1)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001177041823 1385782362 /nfs/dbraw/zinc/78/23/62/1385782362.db2.gz BWVFLSHNQFOCEP-UHFFFAOYSA-N 1 0 345.443 3.017 20 5 EGBDRO CS[C@H]1CC[C@H]([N@H+](C)Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C1 ZINC001318899436 1385874440 /nfs/dbraw/zinc/87/44/40/1385874440.db2.gz FDSIMGUFKVLYJJ-KBPBESRZSA-N 1 0 347.444 3.027 20 5 EGBDRO CC(C)CC(=O)NCCCCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001177784092 1386043152 /nfs/dbraw/zinc/04/31/52/1386043152.db2.gz LDQDNQBOGAZIBN-UHFFFAOYSA-N 1 0 335.448 3.407 20 5 EGBDRO O=C1[C@H]([N@@H+]2CC[C@H]3CCCC[C@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC001319293050 1386047309 /nfs/dbraw/zinc/04/73/09/1386047309.db2.gz VEBXECJZWRYVQQ-RVKKMQEKSA-N 1 0 343.427 3.212 20 5 EGBDRO CCC[C@@H]([NH2+][C@@H](C)C(=O)NCC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC001319849660 1386333726 /nfs/dbraw/zinc/33/37/26/1386333726.db2.gz RYBOJSMXIDCESR-GXFFZTMASA-N 1 0 347.337 3.093 20 5 EGBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)C1 ZINC001320268254 1386566047 /nfs/dbraw/zinc/56/60/47/1386566047.db2.gz IBTMWFZDZGKNOS-AWEZNQCLSA-N 1 0 334.420 3.065 20 5 EGBDRO C[C@H]1CCCN(c2ncnc3c(Cl)cc([N+](=O)[O-])cc32)[C@H]1CC[NH3+] ZINC001329734557 1389212854 /nfs/dbraw/zinc/21/28/54/1389212854.db2.gz NOLVIDZGEKKDKJ-HZMBPMFUSA-N 1 0 349.822 3.145 20 5 EGBDRO CCCN(CC[NH+]1CCCC1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001331305178 1389694214 /nfs/dbraw/zinc/69/42/14/1389694214.db2.gz YYWIFUIJJFUZLK-UHFFFAOYSA-N 1 0 338.383 3.074 20 5 EGBDRO CS[C@@H]1CC[C@@H]([N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001331329254 1389704114 /nfs/dbraw/zinc/70/41/14/1389704114.db2.gz AGJOGGUGOPNRSE-HUUCEWRRSA-N 1 0 337.445 3.139 20 5 EGBDRO Cc1cncc([N+](=O)[O-])c1N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC001331987707 1389935067 /nfs/dbraw/zinc/93/50/67/1389935067.db2.gz HBXYGBXPWPAJDD-FUHWJXTLSA-N 1 0 338.411 3.009 20 5 EGBDRO CC(C)(C(=O)Nc1cccc2c1C[NH2+]C2)c1ccc([N+](=O)[O-])cc1 ZINC001340994579 1390421207 /nfs/dbraw/zinc/42/12/07/1390421207.db2.gz MGHINAVASRDBDM-UHFFFAOYSA-N 1 0 325.368 3.114 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)c1C ZINC001334401501 1390532576 /nfs/dbraw/zinc/53/25/76/1390532576.db2.gz GSNHFTFLYWXGKO-AWEZNQCLSA-N 1 0 347.459 3.454 20 5 EGBDRO O=C(c1cc2ccccc2c2cccnc12)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001341908117 1390548229 /nfs/dbraw/zinc/54/82/29/1390548229.db2.gz UXDGRRWDVMEPCH-JKSUJKDBSA-N 1 0 331.419 3.070 20 5 EGBDRO C[NH2+]C[C@@H]1CCCCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC001342552847 1390625745 /nfs/dbraw/zinc/62/57/45/1390625745.db2.gz CBLATMWABGCKJV-ZDUSSCGKSA-N 1 0 333.413 3.024 20 5 EGBDRO O=[N+]([O-])c1ccc(CN2Cc3ccc(O)cc3C3(CC3)C2)cc1F ZINC001343648197 1390728857 /nfs/dbraw/zinc/72/88/57/1390728857.db2.gz WJRJTCSHUNKBAQ-UHFFFAOYSA-N 1 0 328.343 3.487 20 5 EGBDRO COc1cc(C[NH2+]C/C=C/C2CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC001343973147 1390747533 /nfs/dbraw/zinc/74/75/33/1390747533.db2.gz QMWUBWHKPLYUCQ-NSCUHMNNSA-N 1 0 342.342 3.303 20 5 EGBDRO [NH3+]C[C@@]12CC[C@H]1CCCN2C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC001345350557 1390856209 /nfs/dbraw/zinc/85/62/09/1390856209.db2.gz ZBPFSNKDZCVVAN-PXAZEXFGSA-N 1 0 345.424 3.153 20 5 EGBDRO C[NH+](C)C1(CNc2ncnc3c(Cl)cc([N+](=O)[O-])cc23)CCCC1 ZINC001347049395 1390995897 /nfs/dbraw/zinc/99/58/97/1390995897.db2.gz LUZCNRRKXPNDNE-UHFFFAOYSA-N 1 0 349.822 3.478 20 5 EGBDRO CCC[N@H+](CCNC(=O)c1ccsc1)Cc1ccc([N+](=O)[O-])cc1 ZINC001753141655 1440321368 /nfs/dbraw/zinc/32/13/68/1440321368.db2.gz AGDUIZQOCHPQPQ-UHFFFAOYSA-N 1 0 347.440 3.298 20 5 EGBDRO CCC[N@H+](CCNC(=O)C1(C)CC=CC1)Cc1cccc([N+](=O)[O-])c1 ZINC001753147402 1440325272 /nfs/dbraw/zinc/32/52/72/1440325272.db2.gz BZQILPYDZRVFNB-UHFFFAOYSA-N 1 0 345.443 3.279 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001165047060 721965344 /nfs/dbraw/zinc/96/53/44/721965344.db2.gz RFNHILVQUFVIHG-CQSZACIVSA-N 1 0 338.839 3.488 20 5 EGBDRO O=[N+]([O-])c1cc(N2CCCC[C@@H]2CC[NH+]2CCCC2)nc2[nH]ccc21 ZINC001165050388 721973514 /nfs/dbraw/zinc/97/35/14/721973514.db2.gz WIYBTVKQMXPUMP-CQSZACIVSA-N 1 0 343.431 3.316 20 5 EGBDRO Cc1ccccc1C[C@@H](CO)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000786156201 1126109718 /nfs/dbraw/zinc/10/97/18/1126109718.db2.gz ALMZWUAZAVRQGC-INIZCTEOSA-N 1 0 334.803 3.250 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)N2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000178691122 232381552 /nfs/dbraw/zinc/38/15/52/232381552.db2.gz WRRLHLAZUCZUQK-GJZGRUSLSA-N 1 0 333.432 3.201 20 5 EGBDRO C[C@@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)[N@H+](C)C1CC1 ZINC000068218406 215291582 /nfs/dbraw/zinc/29/15/82/215291582.db2.gz YIOCCJJJDCZHGT-JTQLQIEISA-N 1 0 333.413 3.022 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@H]3CCCOCC3)cs2)c1 ZINC000181029967 234065638 /nfs/dbraw/zinc/06/56/38/234065638.db2.gz ZMYTXEPTPFQPRE-ZDUSSCGKSA-N 1 0 333.413 3.377 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)COc2ccccc2F)cc1[N+](=O)[O-] ZINC000181807257 234330462 /nfs/dbraw/zinc/33/04/62/234330462.db2.gz WWDRYSOZLGAQKV-DZGCQCFKSA-N 1 0 348.374 3.133 20 5 EGBDRO Cc1ccsc1CNC(=O)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181814263 234333725 /nfs/dbraw/zinc/33/37/25/234333725.db2.gz OMBSPURVKZDLED-CYBMUJFWSA-N 1 0 347.440 3.240 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)N[C@@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000181831779 234341864 /nfs/dbraw/zinc/34/18/64/234341864.db2.gz ZEYJJZAZZFHJAK-CABCVRRESA-N 1 0 341.411 3.431 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)N[C@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000181831817 234342141 /nfs/dbraw/zinc/34/21/41/234342141.db2.gz ZEYJJZAZZFHJAK-HUUCEWRRSA-N 1 0 341.411 3.431 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+][C@@H]1CCC[C@@H]1CCO ZINC000188011993 236383143 /nfs/dbraw/zinc/38/31/43/236383143.db2.gz HLGFFLRBAAPAJD-JOCBIADPSA-N 1 0 332.444 3.447 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000129567076 223069231 /nfs/dbraw/zinc/06/92/31/223069231.db2.gz JWRPICUVZNOMMD-WMLDXEAASA-N 1 0 344.415 3.273 20 5 EGBDRO CCCO[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000193931341 240367564 /nfs/dbraw/zinc/36/75/64/240367564.db2.gz FJGXGJZCLVFETI-OAHLLOKOSA-N 1 0 337.376 3.284 20 5 EGBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000237372984 296023732 /nfs/dbraw/zinc/02/37/32/296023732.db2.gz ZQRCBZFHOABHJJ-DOMZBBRYSA-N 1 0 333.432 3.234 20 5 EGBDRO COCc1ccc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)o1 ZINC000130723063 223172155 /nfs/dbraw/zinc/17/21/55/223172155.db2.gz ZVRAPALIAPSGMV-UHFFFAOYSA-N 1 0 346.383 3.378 20 5 EGBDRO Cc1cc(C(=O)N2CCC(CCC[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000132628420 223349539 /nfs/dbraw/zinc/34/95/39/223349539.db2.gz YNNKSLHGAZTAPS-UHFFFAOYSA-N 1 0 333.432 3.097 20 5 EGBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@@H](C[C@@H]4CCOC4)C3)nc2c1 ZINC000375016610 242051450 /nfs/dbraw/zinc/05/14/50/242051450.db2.gz YTYVYLVQGATXHH-KBPBESRZSA-N 1 0 345.399 3.375 20 5 EGBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)CCC1CC[NH2+]CC1 ZINC000236796395 242360736 /nfs/dbraw/zinc/36/07/36/242360736.db2.gz SNBGDGPLABLZJV-UHFFFAOYSA-N 1 0 333.432 3.112 20 5 EGBDRO CCCO[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000247149986 243382843 /nfs/dbraw/zinc/38/28/43/243382843.db2.gz NLFZEZFAYPZPJO-PBHICJAKSA-N 1 0 349.431 3.203 20 5 EGBDRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1ccccc1[N+](=O)[O-] ZINC000009991916 211139371 /nfs/dbraw/zinc/13/93/71/211139371.db2.gz JVXYGMLZIDXYPX-UHFFFAOYSA-N 1 0 339.395 3.121 20 5 EGBDRO CCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000268740432 252190737 /nfs/dbraw/zinc/19/07/37/252190737.db2.gz RSPPKBCZJOYOJP-NEPJUHHUSA-N 1 0 347.440 3.499 20 5 EGBDRO C[N@@H+]1CCC[C@@H]2CN(c3ccc([N+](=O)[O-])c(OC(F)F)c3)CC[C@H]21 ZINC000268796082 252247767 /nfs/dbraw/zinc/24/77/67/252247767.db2.gz BTUDCPDBFLJMHN-DGCLKSJQSA-N 1 0 341.358 3.117 20 5 EGBDRO O=[N+]([O-])c1ccc(C[N@@H+](C[C@H](O)c2ccc(F)cc2)C2CC2)cc1 ZINC000265442941 285112063 /nfs/dbraw/zinc/11/20/63/285112063.db2.gz QQZWYOSOCONHDA-SFHVURJKSA-N 1 0 330.359 3.432 20 5 EGBDRO COc1ccc([C@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000178569348 533195189 /nfs/dbraw/zinc/19/51/89/533195189.db2.gz LZNVPGSDKUHGGR-RTBURBONSA-N 1 0 342.395 3.378 20 5 EGBDRO O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)[C@@H]1CCC[NH2+]C1 ZINC000269068531 255523940 /nfs/dbraw/zinc/52/39/40/255523940.db2.gz QPTJGGQHCJAIDB-CYBMUJFWSA-N 1 0 341.367 3.325 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000181695530 533223064 /nfs/dbraw/zinc/22/30/64/533223064.db2.gz NPKBURFQORNZGI-OIISXLGYSA-N 1 0 332.400 3.041 20 5 EGBDRO O=[N+]([O-])c1ccccc1CN1CC[NH2+]C[C@H]1c1cccc(Cl)c1 ZINC000261780552 296513919 /nfs/dbraw/zinc/51/39/19/296513919.db2.gz MWYXPFPXJIYEKX-KRWDZBQOSA-N 1 0 331.803 3.395 20 5 EGBDRO C[C@@H](CC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[NH2+]C1 ZINC000237423551 141002156 /nfs/dbraw/zinc/00/21/56/141002156.db2.gz HONZCEZAPQMPBJ-RDJZCZTQSA-N 1 0 347.459 3.060 20 5 EGBDRO C[C@@H](C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)[C@@H]([NH3+])c1ccccc1 ZINC000237599762 141010039 /nfs/dbraw/zinc/01/00/39/141010039.db2.gz MTDPGYLXKHEYFY-CXAGYDPISA-N 1 0 341.411 3.282 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](c2ccco2)N2CCCC2)c(F)c1 ZINC000350631347 141257784 /nfs/dbraw/zinc/25/77/84/141257784.db2.gz HIUXYILGVGBUHP-INIZCTEOSA-N 1 0 333.363 3.254 20 5 EGBDRO CSc1ccc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000173468654 144042799 /nfs/dbraw/zinc/04/27/99/144042799.db2.gz RSPTZIAPBOITOS-AWEZNQCLSA-N 1 0 344.440 3.398 20 5 EGBDRO C[C@H]([NH2+]CC(C)(C)N1C[C@@H](C)O[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000178641040 144074020 /nfs/dbraw/zinc/07/40/20/144074020.db2.gz GWWPHUHAEWKJLV-KFWWJZLASA-N 1 0 335.448 3.133 20 5 EGBDRO CC[C@@H]([NH2+][C@H](C)C(=O)N1CCC(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000178678323 144074550 /nfs/dbraw/zinc/07/45/50/144074550.db2.gz UKNJSONUDYEWPX-RHSMWYFYSA-N 1 0 333.432 3.283 20 5 EGBDRO C[C@@H](C(=O)N1CCCC[C@H]1c1ncc[nH]1)c1ccc([N+](=O)[O-])cc1F ZINC000185701097 144117468 /nfs/dbraw/zinc/11/74/68/144117468.db2.gz RQQFHBIVSKTIMD-ABAIWWIYSA-N 1 0 346.362 3.314 20 5 EGBDRO CC[C@@H]1CCCC[N@@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000117333256 152095386 /nfs/dbraw/zinc/09/53/86/152095386.db2.gz BTFAPTSFNFGDNB-CYBMUJFWSA-N 1 0 333.388 3.157 20 5 EGBDRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCCC[C@H]1c1ncc[nH]1 ZINC000120198556 152258688 /nfs/dbraw/zinc/25/86/88/152258688.db2.gz HHXVJEGJCSTQFG-KIUWMYQTSA-N 1 0 326.356 3.085 20 5 EGBDRO CCC[C@H]([NH2+]CC(C)(C)N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000120233691 152262054 /nfs/dbraw/zinc/26/20/54/152262054.db2.gz XBMWDPOCUOMRHO-KRWDZBQOSA-N 1 0 335.448 3.136 20 5 EGBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000192714032 153256606 /nfs/dbraw/zinc/25/66/06/153256606.db2.gz GPWMMWBEPCOFQX-UHFFFAOYSA-N 1 0 349.479 3.212 20 5 EGBDRO Cc1ccnc(N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)c1[N+](=O)[O-] ZINC000310157949 154138456 /nfs/dbraw/zinc/13/84/56/154138456.db2.gz HPYIZDINJBJXAS-GOEBONIOSA-N 1 0 326.400 3.373 20 5 EGBDRO Cc1ccc(NC(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000337372269 154315009 /nfs/dbraw/zinc/31/50/09/154315009.db2.gz PBNRKHIYKFMAQR-ZIAGYGMSSA-N 1 0 334.420 3.288 20 5 EGBDRO CCC(CC)[C@H](CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)[NH+](C)C ZINC000337627445 154456275 /nfs/dbraw/zinc/45/62/75/154456275.db2.gz LDCXFWNMLIERHY-KRWDZBQOSA-N 1 0 348.447 3.258 20 5 EGBDRO C[NH+](C)CCN(Cc1ccccc1F)Cc1ccc([N+](=O)[O-])cc1F ZINC000348898582 156280661 /nfs/dbraw/zinc/28/06/61/156280661.db2.gz YCAAAZNVCFOERZ-UHFFFAOYSA-N 1 0 349.381 3.437 20 5 EGBDRO CC[C@H](CC(F)(F)F)[NH2+][C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000354542091 156571266 /nfs/dbraw/zinc/57/12/66/156571266.db2.gz WLUYSFRSYMAAKP-NXEZZACHSA-N 1 0 333.310 3.242 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000066531776 161581115 /nfs/dbraw/zinc/58/11/15/161581115.db2.gz JPRVQSUSYPRURP-STQMWFEESA-N 1 0 335.404 3.195 20 5 EGBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)c1 ZINC000093507528 162012146 /nfs/dbraw/zinc/01/21/46/162012146.db2.gz YZMXDZJQFUOAPV-BXUZGUMPSA-N 1 0 342.342 3.197 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3cccc4[nH]ccc43)C2)nc1 ZINC000093534867 162015462 /nfs/dbraw/zinc/01/54/62/162015462.db2.gz SKYAGSFZLKMRDU-AWEZNQCLSA-N 1 0 337.383 3.158 20 5 EGBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCCO2 ZINC000129711702 162363704 /nfs/dbraw/zinc/36/37/04/162363704.db2.gz AHQOLHGZCSFVEL-CYBMUJFWSA-N 1 0 328.368 3.259 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000248575690 163016211 /nfs/dbraw/zinc/01/62/11/163016211.db2.gz SXWJJYXLFRMLKL-VNHYZAJKSA-N 1 0 349.431 3.346 20 5 EGBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)CCC[NH+]1CCCC1 ZINC000343773312 164031373 /nfs/dbraw/zinc/03/13/73/164031373.db2.gz BMWWVDBJJWFTLH-KRWDZBQOSA-N 1 0 347.459 3.108 20 5 EGBDRO COc1ccc(NC(=O)CC[N@@H+]2C[C@@H](C)CC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000344026999 164085368 /nfs/dbraw/zinc/08/53/68/164085368.db2.gz KKMDDEKHIPNMHL-ZDUSSCGKSA-N 1 0 349.431 3.300 20 5 EGBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC)C12CCCC2 ZINC000344105806 164103790 /nfs/dbraw/zinc/10/37/90/164103790.db2.gz QEQNLNWROQAALH-IAGOWNOFSA-N 1 0 334.416 3.431 20 5 EGBDRO CC(=O)NC1CCC([N@H+](C)Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000344143221 164113200 /nfs/dbraw/zinc/11/32/00/164113200.db2.gz NRYZAEWTLJVALI-UHFFFAOYSA-N 1 0 339.823 3.127 20 5 EGBDRO CC[N@@H+]1CC[C@@H](N(C)c2nc3ccccc3cc2[N+](=O)[O-])C[C@H]1C ZINC000352357830 165361309 /nfs/dbraw/zinc/36/13/09/165361309.db2.gz UNJKLWBVVXNUKM-UKRRQHHQSA-N 1 0 328.416 3.452 20 5 EGBDRO CCn1nc(C)c([N+](=O)[O-])c1N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000358959291 167018625 /nfs/dbraw/zinc/01/86/25/167018625.db2.gz WTBVBKUAPPMYJZ-ZBFHGGJFSA-N 1 0 343.431 3.367 20 5 EGBDRO O=[N+]([O-])c1ccn(C2CC[NH+](CCSc3ccccc3)CC2)n1 ZINC000365125477 168024632 /nfs/dbraw/zinc/02/46/32/168024632.db2.gz QNFZWQCWTMDAPH-UHFFFAOYSA-N 1 0 332.429 3.221 20 5 EGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000367463950 168229883 /nfs/dbraw/zinc/22/98/83/168229883.db2.gz PFDKJMUNHNUNGB-UONOGXRCSA-N 1 0 349.387 3.142 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3C[C@H]4[C@H](CO)[C@H]4C3)o2)c(Cl)c1 ZINC000367775418 168268601 /nfs/dbraw/zinc/26/86/01/168268601.db2.gz BYUBXLNVBLLQBO-FICVDOATSA-N 1 0 348.786 3.178 20 5 EGBDRO Cc1c(C(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)cccc1[N+](=O)[O-] ZINC000163642688 226000899 /nfs/dbraw/zinc/00/08/99/226000899.db2.gz USYOCOOPUPEHMY-OAHLLOKOSA-N 1 0 333.432 3.001 20 5 EGBDRO CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000122794185 222159638 /nfs/dbraw/zinc/15/96/38/222159638.db2.gz FRMJKHCPULYUHZ-CABCVRRESA-N 1 0 335.404 3.130 20 5 EGBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000175620057 265126315 /nfs/dbraw/zinc/12/63/15/265126315.db2.gz WYIIYDYLEYFJJF-ZBFHGGJFSA-N 1 0 348.447 3.002 20 5 EGBDRO Cc1ccc(C[C@@H](CO)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000191585193 265918215 /nfs/dbraw/zinc/91/82/15/265918215.db2.gz QBJGNLJZEVSURS-WBVHZDCISA-N 1 0 328.412 3.466 20 5 EGBDRO Cc1ccnc(NC[C@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000192956665 265999418 /nfs/dbraw/zinc/99/94/18/265999418.db2.gz NOVUWBIVRAVXQG-MRXNPFEDSA-N 1 0 326.400 3.232 20 5 EGBDRO CC(C)[NH+](CCNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)C(C)C ZINC000193559663 266043840 /nfs/dbraw/zinc/04/38/40/266043840.db2.gz LDGKXKNEQFSUGJ-UHFFFAOYSA-N 1 0 334.420 3.010 20 5 EGBDRO CCCC[NH+]1CCC(NC(=O)N(C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000194957997 266148556 /nfs/dbraw/zinc/14/85/56/266148556.db2.gz DTQMAOKHKRJABB-UHFFFAOYSA-N 1 0 348.447 3.001 20 5 EGBDRO C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000237535702 266236237 /nfs/dbraw/zinc/23/62/37/266236237.db2.gz QBBSGKPJYLFVBS-CYBMUJFWSA-N 1 0 328.368 3.434 20 5 EGBDRO C[C@@H]1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H](c2ccsc2)O1 ZINC000269649120 266334579 /nfs/dbraw/zinc/33/45/79/266334579.db2.gz LRLJOHVRWVQKMI-OAUYIBNBSA-N 1 0 348.424 3.152 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@H+](Cc2cccc(F)c2)C2CC2)c1 ZINC000269692311 266343018 /nfs/dbraw/zinc/34/30/18/266343018.db2.gz VLUXGCBRFKDGED-GOSISDBHSA-N 1 0 330.359 3.432 20 5 EGBDRO C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000269741435 266352191 /nfs/dbraw/zinc/35/21/91/266352191.db2.gz XCYBKFXIDGCKPK-SUMWQHHRSA-N 1 0 331.416 3.179 20 5 EGBDRO CC[C@H](CCO)C[NH2+][C@H](CC)CSc1ccccc1[N+](=O)[O-] ZINC000271071835 266599404 /nfs/dbraw/zinc/59/94/04/266599404.db2.gz FKHSQNSKLUHRKR-ZIAGYGMSSA-N 1 0 326.462 3.464 20 5 EGBDRO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)[C@@]12CCCO2 ZINC000274245815 267205431 /nfs/dbraw/zinc/20/54/31/267205431.db2.gz RMLPXHMUMHKNRG-RUGDWHBFSA-N 1 0 334.416 3.280 20 5 EGBDRO CO[C@@H]1CCCC[C@H]1[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000277049132 267683895 /nfs/dbraw/zinc/68/38/95/267683895.db2.gz URHFZCLZSDQKIA-HZPDHXFCSA-N 1 0 345.399 3.340 20 5 EGBDRO C[NH+](C)[C@@H]1CCCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000277197948 267720627 /nfs/dbraw/zinc/72/06/27/267720627.db2.gz VNCGOQAMMRKZBM-GFCCVEGCSA-N 1 0 340.811 3.196 20 5 EGBDRO Cc1c([C@H](C)NCCC[N@@H+]2CCCO[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000278385811 268000824 /nfs/dbraw/zinc/00/08/24/268000824.db2.gz CNVGXATZDRWYFW-ZBFHGGJFSA-N 1 0 335.448 3.055 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000278454567 268017137 /nfs/dbraw/zinc/01/71/37/268017137.db2.gz GONORBHBINTCGZ-UHFFFAOYSA-N 1 0 346.431 3.208 20 5 EGBDRO C[C@@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CCN1C(=O)OC(C)(C)C ZINC000278534930 268033355 /nfs/dbraw/zinc/03/33/55/268033355.db2.gz VVAKFECKLNUCJQ-HIFRSBDPSA-N 1 0 349.431 3.472 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCCC12CC[NH+](C)CC2 ZINC000364076840 274686709 /nfs/dbraw/zinc/68/67/09/274686709.db2.gz XBEPJTXQCBUJOM-UHFFFAOYSA-N 1 0 346.431 3.304 20 5 EGBDRO C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2Br)CC[N@@H+]1C ZINC000090795070 275153539 /nfs/dbraw/zinc/15/35/39/275153539.db2.gz LMFPUPIBWRLKLS-NXEZZACHSA-N 1 0 328.210 3.252 20 5 EGBDRO COc1cc(C(=O)Nc2cc(C)cc(C[NH+](C)C)c2)ccc1[N+](=O)[O-] ZINC000270392491 275236658 /nfs/dbraw/zinc/23/66/58/275236658.db2.gz SDLWEZZLSHLIBL-UHFFFAOYSA-N 1 0 343.383 3.226 20 5 EGBDRO CCN(CCC[NH+]1CCCC1)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000276491637 275253597 /nfs/dbraw/zinc/25/35/97/275253597.db2.gz SKLFOQOVJKLOSD-UHFFFAOYSA-N 1 0 339.823 3.196 20 5 EGBDRO C[C@H](CC(=O)Nc1ccccc1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000177298062 533689680 /nfs/dbraw/zinc/68/96/80/533689680.db2.gz XPHCSTLRWVQMTG-CQSZACIVSA-N 1 0 327.384 3.144 20 5 EGBDRO C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)OCC(=O)N2)c1cccc([N+](=O)[O-])c1 ZINC000285998594 275938893 /nfs/dbraw/zinc/93/88/93/275938893.db2.gz IMUVJXLAGWBTNN-NEPJUHHUSA-N 1 0 341.367 3.338 20 5 EGBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000286580801 276019201 /nfs/dbraw/zinc/01/92/01/276019201.db2.gz YILRWVFRWARFRV-DGCLKSJQSA-N 1 0 341.358 3.259 20 5 EGBDRO C[C@@H](C[S@](C)=O)N(C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000289304074 276318882 /nfs/dbraw/zinc/31/88/82/276318882.db2.gz BVAREYOEINDVNL-FHZGZLOMSA-N 1 0 339.244 3.100 20 5 EGBDRO CCc1nn(C)c(CC)c1C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000289395097 276332772 /nfs/dbraw/zinc/33/27/72/276332772.db2.gz NXTPYMPEUAWNBC-UHFFFAOYSA-N 1 0 330.432 3.128 20 5 EGBDRO Cc1nnc(CC[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])s1 ZINC000289558242 276357867 /nfs/dbraw/zinc/35/78/67/276357867.db2.gz AFGARQRXWKLEIE-ZFWWWQNUSA-N 1 0 346.456 3.298 20 5 EGBDRO CC(C)[C@H]([NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-])c1nncn1C ZINC000289569905 276359335 /nfs/dbraw/zinc/35/93/35/276359335.db2.gz SJWLQBOWMRDLCC-CJNGLKHVSA-N 1 0 331.420 3.031 20 5 EGBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000289629521 276368875 /nfs/dbraw/zinc/36/88/75/276368875.db2.gz RVNXRULYNSZVCG-IRXDYDNUSA-N 1 0 332.400 3.007 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000289707422 276381286 /nfs/dbraw/zinc/38/12/86/276381286.db2.gz HLCUHNIXYLIJNH-UHFFFAOYSA-N 1 0 346.431 3.153 20 5 EGBDRO COCc1nc(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)cs1 ZINC000289789475 276395030 /nfs/dbraw/zinc/39/50/30/276395030.db2.gz NBUGDGUSXXLOPM-OAHLLOKOSA-N 1 0 347.440 3.309 20 5 EGBDRO C[C@@H](C[NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(C(F)(F)F)cc1 ZINC000290202177 276462935 /nfs/dbraw/zinc/46/29/35/276462935.db2.gz DCNQBWPXYQNNBZ-NSHDSACASA-N 1 0 342.321 3.203 20 5 EGBDRO Cc1noc(C2CCC([NH2+]CCc3ccccc3[N+](=O)[O-])CC2)n1 ZINC000292049417 276726359 /nfs/dbraw/zinc/72/63/59/276726359.db2.gz FWGYAAUUVZWNMW-UHFFFAOYSA-N 1 0 330.388 3.145 20 5 EGBDRO C[C@@H]([NH2+]CCN1CCc2sccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000178648995 278347410 /nfs/dbraw/zinc/34/74/10/278347410.db2.gz DNIMXOAXEPLGPQ-CYBMUJFWSA-N 1 0 331.441 3.365 20 5 EGBDRO C[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C(C)(C)c1ccccc1 ZINC000181771389 278356978 /nfs/dbraw/zinc/35/69/78/278356978.db2.gz NFVKXLOQWKKGNM-CYBMUJFWSA-N 1 0 341.411 3.150 20 5 EGBDRO C[C@H](NC(=O)c1ccccc1[N+](=O)[O-])[C@H](c1ccccc1)[NH+](C)C ZINC000187205615 279449414 /nfs/dbraw/zinc/44/94/14/279449414.db2.gz PVHWIAZKASNUCN-SUMWQHHRSA-N 1 0 327.384 3.016 20 5 EGBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)C[N@H+](C)C(C)C ZINC000356765554 280158813 /nfs/dbraw/zinc/15/88/13/280158813.db2.gz KSNBOULZMGDWBP-ZBFHGGJFSA-N 1 0 335.448 3.008 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000067452454 307365677 /nfs/dbraw/zinc/36/56/77/307365677.db2.gz JBZAHNMQAYXDEE-KBXCAEBGSA-N 1 0 339.395 3.359 20 5 EGBDRO CC[NH+](CC)[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)CC(C)C ZINC000112915479 307474065 /nfs/dbraw/zinc/47/40/65/307474065.db2.gz YWWYNLZCHIEQQE-QGZVFWFLSA-N 1 0 335.448 3.010 20 5 EGBDRO C[NH+](C)CCN(C(=O)Nc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000132517643 307658994 /nfs/dbraw/zinc/65/89/94/307658994.db2.gz SBAZOPNTZXUXFR-UHFFFAOYSA-N 1 0 334.420 3.323 20 5 EGBDRO C[NH+](C)Cc1ccccc1CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000137065303 307715623 /nfs/dbraw/zinc/71/56/23/307715623.db2.gz WYUUHXHBOHLOLV-UHFFFAOYSA-N 1 0 347.802 3.240 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]Cc1ccc2c(c1)OCO2)C1CC1 ZINC000152058180 307744888 /nfs/dbraw/zinc/74/48/88/307744888.db2.gz MVNRIMLZXSMSME-MRXNPFEDSA-N 1 0 340.379 3.434 20 5 EGBDRO CO[C@@H]1C[C@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C12CCC2 ZINC000414194595 309066029 /nfs/dbraw/zinc/06/60/29/309066029.db2.gz ULAQWGYQYGJIAP-BPQIPLTHSA-N 1 0 330.428 3.463 20 5 EGBDRO CO[C@@](C)([C@@H](C)[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000414228780 309067576 /nfs/dbraw/zinc/06/75/76/309067576.db2.gz MHUSYAQBMHHCQJ-VFVRVIDISA-N 1 0 349.431 3.105 20 5 EGBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC(C)(C)OCC1CC1 ZINC000414231893 309067879 /nfs/dbraw/zinc/06/78/79/309067879.db2.gz ACHXGKIXCFKMOV-CYBMUJFWSA-N 1 0 349.431 3.107 20 5 EGBDRO C[C@H](C[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)CC(F)(F)F ZINC000414285801 309070636 /nfs/dbraw/zinc/07/06/36/309070636.db2.gz RYOQTGDQUCWTHP-QWRGUYRKSA-N 1 0 347.337 3.490 20 5 EGBDRO C[C@@H]([NH2+][C@H]1CCN(c2ccc(F)cc2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000414313619 309072371 /nfs/dbraw/zinc/07/23/71/309072371.db2.gz KLJUKBDDOWOKGZ-PXAZEXFGSA-N 1 0 343.358 3.190 20 5 EGBDRO COCC1CCC([NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000414317805 309072610 /nfs/dbraw/zinc/07/26/10/309072610.db2.gz WLLWNOYUKLJVMY-NFOMZHRRSA-N 1 0 349.431 3.107 20 5 EGBDRO CC[C@H](C)[C@H](C)[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000248474482 308004259 /nfs/dbraw/zinc/00/42/59/308004259.db2.gz XGWDMLIHTHVOCZ-OFQRWUPVSA-N 1 0 336.432 3.234 20 5 EGBDRO O=C(/C=C\c1cccc([N+](=O)[O-])c1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000255055621 308038681 /nfs/dbraw/zinc/03/86/81/308038681.db2.gz DNQBSZOXVMGAAV-LPADLIQXSA-N 1 0 343.427 3.085 20 5 EGBDRO CC[N@H+](C)C[C@H]1CCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000292917380 308079796 /nfs/dbraw/zinc/07/97/96/308079796.db2.gz XPLGVMAQXUMOME-GFCCVEGCSA-N 1 0 345.365 3.387 20 5 EGBDRO C[C@H]1CCC[C@@]1(O)C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000293000008 308088888 /nfs/dbraw/zinc/08/88/88/308088888.db2.gz MZOMBFYEFNDDBT-YVEFUNNKSA-N 1 0 347.440 3.359 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3CCC[C@H](CO)CC3)o2)c1 ZINC000294155103 308195334 /nfs/dbraw/zinc/19/53/34/308195334.db2.gz VQFULVLFOBHUQP-AWEZNQCLSA-N 1 0 330.384 3.449 20 5 EGBDRO C[C@@H]1C[C@H](C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)[C@@H](C)O1 ZINC000414522300 309086217 /nfs/dbraw/zinc/08/62/17/309086217.db2.gz XDEVBJHZWIAMDA-GMTAPVOTSA-N 1 0 330.331 3.099 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)Cc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000294394645 308217380 /nfs/dbraw/zinc/21/73/80/308217380.db2.gz CEBKPTHRHGUKRW-SUMWQHHRSA-N 1 0 332.375 3.297 20 5 EGBDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000294547528 308230920 /nfs/dbraw/zinc/23/09/20/308230920.db2.gz DIEGZYBYVZYMQO-SNVBAGLBSA-N 1 0 347.337 3.072 20 5 EGBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])c3cnccc32)CC[N@@H+](C2CC2)C1 ZINC000294868069 308265914 /nfs/dbraw/zinc/26/59/14/308265914.db2.gz DURKWBPNXOOUAO-ZDUSSCGKSA-N 1 0 326.400 3.064 20 5 EGBDRO C[C@@H]([NH2+]CC1([C@H](O)c2ccccc2)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294922652 308271850 /nfs/dbraw/zinc/27/18/50/308271850.db2.gz XCGFSTLKVAHVSQ-FZKQIMNGSA-N 1 0 341.411 3.341 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](O)Cc2cccc(F)c2)c(Cl)c1 ZINC000295101987 308291505 /nfs/dbraw/zinc/29/15/05/308291505.db2.gz KPDFKCFPZTZKFB-HNNXBMFYSA-N 1 0 338.766 3.081 20 5 EGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](O)Cc1cccc(F)c1 ZINC000295137018 308295888 /nfs/dbraw/zinc/29/58/88/308295888.db2.gz PGZZDQKBHJSYHH-KDOFPFPSSA-N 1 0 346.402 3.248 20 5 EGBDRO C[NH2+]C[C@H]1CCCN1Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000414665427 309094540 /nfs/dbraw/zinc/09/45/40/309094540.db2.gz VNRZNWIFAUGRJT-CYBMUJFWSA-N 1 0 345.399 3.047 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(CN3CC[C@@H]4C[NH2+]C[C@@H]43)o2)c(Cl)c1 ZINC000414795064 309101907 /nfs/dbraw/zinc/10/19/07/309101907.db2.gz WDUWDLPYIOTYKD-BZNIZROVSA-N 1 0 347.802 3.302 20 5 EGBDRO C[NH2+]C[C@@H](C)CNCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000414831266 309104527 /nfs/dbraw/zinc/10/45/27/309104527.db2.gz CUDSEANKWIOAKI-CYBMUJFWSA-N 1 0 347.390 3.471 20 5 EGBDRO COCc1cc([N+](=O)[O-])ccc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000301478897 308701808 /nfs/dbraw/zinc/70/18/08/308701808.db2.gz QNEJLGLXKMNKBQ-UHFFFAOYSA-N 1 0 347.459 3.442 20 5 EGBDRO CC(C)N(CC[NH+](C)C)c1ccc(Br)cc1[N+](=O)[O-] ZINC000302230968 308734317 /nfs/dbraw/zinc/73/43/17/308734317.db2.gz XIHVGQKTEXKQAS-UHFFFAOYSA-N 1 0 330.226 3.134 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@H]1[C@H](C)CCC[C@@H]1C ZINC000330862599 308799634 /nfs/dbraw/zinc/79/96/34/308799634.db2.gz VZPAFVKZDRYFSG-ZHRONYKTSA-N 1 0 349.431 3.345 20 5 EGBDRO CCC(CC)(CC)[NH2+]CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000411380117 308936392 /nfs/dbraw/zinc/93/63/92/308936392.db2.gz JGDAHNCJKNOXRM-UHFFFAOYSA-N 1 0 337.420 3.490 20 5 EGBDRO CC[C@](C)([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1nccs1 ZINC000411380034 308936423 /nfs/dbraw/zinc/93/64/23/308936423.db2.gz CGHMQWQMQWZQOW-INIZCTEOSA-N 1 0 348.428 3.295 20 5 EGBDRO Cc1ccc([C@@H](CNc2ncc([N+](=O)[O-])cc2F)[NH+]2CCCC2)o1 ZINC000413116716 309016990 /nfs/dbraw/zinc/01/69/90/309016990.db2.gz WQPZKQQJLUCHGA-CQSZACIVSA-N 1 0 334.351 3.279 20 5 EGBDRO C[N@H+](CC1CC1)C[C@H]1CCN(c2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413186443 309020313 /nfs/dbraw/zinc/02/03/13/309020313.db2.gz SPZBANKJZUHKNX-OAHLLOKOSA-N 1 0 340.427 3.311 20 5 EGBDRO O=[N+]([O-])c1ccc2ccnc(NCC3CC[NH+](C4CC4)CC3)c2c1 ZINC000413269640 309024310 /nfs/dbraw/zinc/02/43/10/309024310.db2.gz SSXAPYPWJVDGNV-UHFFFAOYSA-N 1 0 326.400 3.429 20 5 EGBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1c1ccc([N+](=O)[O-])c2ncccc12 ZINC000413276667 309024737 /nfs/dbraw/zinc/02/47/37/309024737.db2.gz CTBWOBQHRSPGHO-KBPBESRZSA-N 1 0 326.400 3.206 20 5 EGBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000413509118 309034956 /nfs/dbraw/zinc/03/49/56/309034956.db2.gz YALVBMVXRKGZHV-XFKAJCMBSA-N 1 0 345.443 3.030 20 5 EGBDRO CC(C)(C)c1ccc(NC(=O)NCC[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000415701401 309141346 /nfs/dbraw/zinc/14/13/46/309141346.db2.gz OHPLDLYBYQTGHU-CYBMUJFWSA-N 1 0 348.447 3.404 20 5 EGBDRO CCc1ccc(C(=O)N(C)C(C)(C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000416110572 309159046 /nfs/dbraw/zinc/15/90/46/309159046.db2.gz UHLQDZUAEDAXHK-UHFFFAOYSA-N 1 0 333.432 3.104 20 5 EGBDRO Cc1cnc(CC[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)nc1 ZINC000417311152 309201203 /nfs/dbraw/zinc/20/12/03/309201203.db2.gz NUXNXIREZQAHPR-QGZVFWFLSA-N 1 0 326.400 3.293 20 5 EGBDRO CC[C@H](C)NC(=O)CC[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417346577 309202425 /nfs/dbraw/zinc/20/24/25/309202425.db2.gz VWJGPBNXZQDOQU-GUYCJALGSA-N 1 0 333.432 3.257 20 5 EGBDRO CC[C@@H](NC(=O)NC[C@@H]1[NH2+]CCCC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000417845526 309224881 /nfs/dbraw/zinc/22/48/81/309224881.db2.gz IQVUKBURKCUYBY-CVEARBPZSA-N 1 0 348.447 3.123 20 5 EGBDRO C[C@@H]1[C@H](C)C[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000418112699 309235955 /nfs/dbraw/zinc/23/59/55/309235955.db2.gz BRBKZOPEVDQNPZ-MCIONIFRSA-N 1 0 328.416 3.472 20 5 EGBDRO CC[C@@H]([NH2+]CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@H]1CC1(C)C ZINC000419309184 309264216 /nfs/dbraw/zinc/26/42/16/309264216.db2.gz BQYBICPZUQNBFJ-ZIAGYGMSSA-N 1 0 349.431 3.346 20 5 EGBDRO Cc1cc(N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420225903 309277443 /nfs/dbraw/zinc/27/74/43/309277443.db2.gz FNPFUUYKIJNHFY-JBLDHEPKSA-N 1 0 329.322 3.096 20 5 EGBDRO COC1([C@H](C)[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])CCOCC1 ZINC000421404698 309323266 /nfs/dbraw/zinc/32/32/66/309323266.db2.gz PYHRVNQKMGTXNZ-CABCVRRESA-N 1 0 336.432 3.090 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000421752001 309338416 /nfs/dbraw/zinc/33/84/16/309338416.db2.gz PGZIELRNUDBZSG-AWEZNQCLSA-N 1 0 347.459 3.454 20 5 EGBDRO CCCC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000421771198 309339434 /nfs/dbraw/zinc/33/94/34/309339434.db2.gz WLQJCQULAUYJPE-UHFFFAOYSA-N 1 0 333.432 3.206 20 5 EGBDRO CC[C@@H](NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H]1CCC[NH2+]1 ZINC000423088683 309385324 /nfs/dbraw/zinc/38/53/24/309385324.db2.gz QRGFKBCWZANYNY-KGLIPLIRSA-N 1 0 331.338 3.234 20 5 EGBDRO [NH3+][C@@H](C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)C1CCC1 ZINC000423215300 309390887 /nfs/dbraw/zinc/39/08/87/309390887.db2.gz QGTSVHPSTLPPAF-QGZVFWFLSA-N 1 0 341.367 3.453 20 5 EGBDRO CCC[NH2+]CCN[C@H](c1ccc(CC)o1)c1ccc([N+](=O)[O-])cc1 ZINC000423311110 309394743 /nfs/dbraw/zinc/39/47/43/309394743.db2.gz PESRIUBLCZPCHM-SFHVURJKSA-N 1 0 331.416 3.429 20 5 EGBDRO [NH3+]C1(c2noc(CCCNc3ccc([N+](=O)[O-])cc3)n2)CCCCC1 ZINC000424348280 309439987 /nfs/dbraw/zinc/43/99/87/309439987.db2.gz UCWBCHLRCDVXKM-UHFFFAOYSA-N 1 0 345.403 3.141 20 5 EGBDRO CC[C@@H]([NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000425430866 309480049 /nfs/dbraw/zinc/48/00/49/309480049.db2.gz GRSSQYHMJWWSPP-OCCSQVGLSA-N 1 0 343.221 3.405 20 5 EGBDRO CC(C)[C@@H]([NH3+])CNC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000429139720 309571949 /nfs/dbraw/zinc/57/19/49/309571949.db2.gz XWERVURWXCMKPO-HNNXBMFYSA-N 1 0 342.399 3.052 20 5 EGBDRO CC[NH+](CC)[C@@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1C)CC(C)C ZINC000438829222 309820581 /nfs/dbraw/zinc/82/05/81/309820581.db2.gz JUOBHPOFSKLHEZ-QGZVFWFLSA-N 1 0 349.475 3.318 20 5 EGBDRO CCc1nc(CC[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cs1 ZINC000447528085 309980820 /nfs/dbraw/zinc/98/08/20/309980820.db2.gz HZUZYXVPXYPSMB-UONOGXRCSA-N 1 0 349.460 3.126 20 5 EGBDRO C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447544544 309981693 /nfs/dbraw/zinc/98/16/93/309981693.db2.gz VZPNQPPVNFWMBB-KBRIMQKVSA-N 1 0 344.415 3.201 20 5 EGBDRO COCCC1(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCC1 ZINC000447581337 309983050 /nfs/dbraw/zinc/98/30/50/309983050.db2.gz UCKNISKPLRNVCR-LSDHHAIUSA-N 1 0 336.436 3.071 20 5 EGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCc1ccc2c(c1)OCCO2 ZINC000449061009 310033885 /nfs/dbraw/zinc/03/38/85/310033885.db2.gz HEDYSYHXOGYAAQ-AWEZNQCLSA-N 1 0 342.395 3.129 20 5 EGBDRO CCCOc1ccc(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])cn1 ZINC000449086517 310035969 /nfs/dbraw/zinc/03/59/69/310035969.db2.gz BWZXBAMSIXGPKW-CQSZACIVSA-N 1 0 329.400 3.499 20 5 EGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1ccc(NC(N)=O)cc1 ZINC000449142194 310039952 /nfs/dbraw/zinc/03/99/52/310039952.db2.gz SFJIOJNFPUEUAP-STQMWFEESA-N 1 0 342.399 3.367 20 5 EGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CO)c1c(F)cccc1F ZINC000449144239 310039979 /nfs/dbraw/zinc/03/99/79/310039979.db2.gz SEJOAJJLXGJHON-ABAIWWIYSA-N 1 0 336.338 3.127 20 5 EGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](O)CCc1ccccc1 ZINC000449238375 310046661 /nfs/dbraw/zinc/04/66/61/310046661.db2.gz GDAHUDMSSQNNCU-YJBOKZPZSA-N 1 0 328.412 3.109 20 5 EGBDRO CC(C)n1ncc2c1C[C@H]([NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])CC2 ZINC000449279884 310049642 /nfs/dbraw/zinc/04/96/42/310049642.db2.gz UIBGLAKCSIUBIV-RHSMWYFYSA-N 1 0 342.443 3.450 20 5 EGBDRO CO[C@@H](C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000449394764 310058473 /nfs/dbraw/zinc/05/84/73/310058473.db2.gz RJXCEMUQNCIDSE-CRAIPNDOSA-N 1 0 328.412 3.373 20 5 EGBDRO CCOc1cccc(C[N@H+](CCO)Cc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000449762417 310085326 /nfs/dbraw/zinc/08/53/26/310085326.db2.gz HXXZEFXHPCVAKJ-UHFFFAOYSA-N 1 0 344.411 3.296 20 5 EGBDRO Cc1ccc([C@H](CNc2ncc([N+](=O)[O-])c(C)n2)[NH+]2CCCC2)cc1 ZINC000450286013 310113334 /nfs/dbraw/zinc/11/33/34/310113334.db2.gz GSTCLRTUZHGOSY-KRWDZBQOSA-N 1 0 341.415 3.251 20 5 EGBDRO CCN(CCC[NH+](C)C)C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000451107414 310160954 /nfs/dbraw/zinc/16/09/54/310160954.db2.gz RALLPUKHHYREBW-UHFFFAOYSA-N 1 0 347.337 3.027 20 5 EGBDRO CCCCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451542780 310184396 /nfs/dbraw/zinc/18/43/96/310184396.db2.gz AFJCVPGEWYWVPL-GOEBONIOSA-N 1 0 333.432 3.079 20 5 EGBDRO COc1ncccc1C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451544101 310184554 /nfs/dbraw/zinc/18/45/54/310184554.db2.gz DRUBRMWTJOYJGV-HNNXBMFYSA-N 1 0 327.384 3.378 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](Cc3cn4cccnc4n3)C2)cc1 ZINC000451550065 310185683 /nfs/dbraw/zinc/18/56/83/310185683.db2.gz QSELYLMXZKXKEH-HNNXBMFYSA-N 1 0 337.383 3.017 20 5 EGBDRO CC(C)[C@H](CO)[C@@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)C(C)C ZINC000451602364 310188764 /nfs/dbraw/zinc/18/87/64/310188764.db2.gz VJSMTOVYYUBMSB-BBRMVZONSA-N 1 0 330.375 3.252 20 5 EGBDRO CCC[C@H]([NH2+]C(C)C)C(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452857456 310246009 /nfs/dbraw/zinc/24/60/09/310246009.db2.gz QROQYNNTPAVCIM-WMZOPIPTSA-N 1 0 347.459 3.468 20 5 EGBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](C1CC1)C1CCC1 ZINC000453429724 310276645 /nfs/dbraw/zinc/27/66/45/310276645.db2.gz PYXDOZOGLWDHLW-KPZWWZAWSA-N 1 0 331.416 3.480 20 5 EGBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CCOC(C)(C)C1 ZINC000453433439 310276958 /nfs/dbraw/zinc/27/69/58/310276958.db2.gz SNCMYFSMFIITMG-KGLIPLIRSA-N 1 0 349.431 3.107 20 5 EGBDRO C[C@]1(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCC(=O)N1 ZINC000453592297 310283278 /nfs/dbraw/zinc/28/32/78/310283278.db2.gz SVBDKDQWDDMFBP-QGZVFWFLSA-N 1 0 345.424 3.082 20 5 EGBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000454656589 310322419 /nfs/dbraw/zinc/32/24/19/310322419.db2.gz ZOJWASAJZUIUNG-KFWWJZLASA-N 1 0 348.447 3.075 20 5 EGBDRO CCO[C@@H]1C[C@H]([NH2+]CCCCc2ccc([N+](=O)[O-])cc2)[C@H]1SC ZINC000459435200 310552342 /nfs/dbraw/zinc/55/23/42/310552342.db2.gz WUJZMVONSMLJGA-GVDBMIGSSA-N 1 0 338.473 3.416 20 5 EGBDRO C[C@@H]([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000459792968 310575718 /nfs/dbraw/zinc/57/57/18/310575718.db2.gz VCPDUWYFIPRQHL-WAZAZEMKSA-N 1 0 328.372 3.484 20 5 EGBDRO CCOC(=O)c1cc(N[C@H](C)C(C)(C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000469014330 310698065 /nfs/dbraw/zinc/69/80/65/310698065.db2.gz RVXLWHHOMMCXCN-GFCCVEGCSA-N 1 0 337.420 3.160 20 5 EGBDRO Cc1c([C@@H](C)[NH2+]C[C@H](CC(C)C)N2CCOCC2)cccc1[N+](=O)[O-] ZINC000480272013 310892072 /nfs/dbraw/zinc/89/20/72/310892072.db2.gz BFWHKCLNSSJQDK-SJORKVTESA-N 1 0 349.475 3.301 20 5 EGBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[NH+](Cc2ccccc2)CC1 ZINC000487243087 311017621 /nfs/dbraw/zinc/01/76/21/311017621.db2.gz ZZPRWTFYKICWBS-MRXNPFEDSA-N 1 0 325.412 3.474 20 5 EGBDRO CC(C)(C)[NH+]1CCC(NC(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000491321807 311173453 /nfs/dbraw/zinc/17/34/53/311173453.db2.gz RDECXJBWSZOPJU-FNORWQNLSA-N 1 0 349.406 3.126 20 5 EGBDRO CC[N@H+](CCNc1ccc([N+](=O)[O-])c(OC)c1)CCC(F)(F)F ZINC000491600056 311186101 /nfs/dbraw/zinc/18/61/01/311186101.db2.gz YFMIRIUIECJNLJ-UHFFFAOYSA-N 1 0 335.326 3.290 20 5 EGBDRO O=[N+]([O-])c1ccc(CCCC[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)cc1 ZINC000494621322 311494973 /nfs/dbraw/zinc/49/49/73/311494973.db2.gz RFVUZKKJCMXSAR-FGTMMUONSA-N 1 0 330.428 3.465 20 5 EGBDRO Cc1noc(C2CCC([NH2+]Cc3cccc([N+](=O)[O-])c3C)CC2)n1 ZINC000494982698 311529415 /nfs/dbraw/zinc/52/94/15/311529415.db2.gz YPVZXUVVDAXXMA-UHFFFAOYSA-N 1 0 330.388 3.411 20 5 EGBDRO COC(=O)c1ccc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000511121034 312155121 /nfs/dbraw/zinc/15/51/21/312155121.db2.gz JRHZABQIGLCGQQ-UHFFFAOYSA-N 1 0 328.368 3.056 20 5 EGBDRO COC(=O)c1ccccc1CC[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511127861 312155461 /nfs/dbraw/zinc/15/54/61/312155461.db2.gz XIRGYXLYZXDRDW-UHFFFAOYSA-N 1 0 342.395 3.098 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@H]1CCOC3(CCOCC3)C1)CCC2 ZINC000516240191 312316538 /nfs/dbraw/zinc/31/65/38/312316538.db2.gz CQYQVBWWKCKFTM-YJBOKZPZSA-N 1 0 346.427 3.290 20 5 EGBDRO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)C(C)(C)C ZINC000517961617 312400053 /nfs/dbraw/zinc/40/00/53/312400053.db2.gz NNASXBRGHRRYLJ-XHDPSFHLSA-N 1 0 337.420 3.345 20 5 EGBDRO CC[C@@H]([NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000531981179 313738636 /nfs/dbraw/zinc/73/86/36/313738636.db2.gz LORIGJWNEGSACL-CXAGYDPISA-N 1 0 349.431 3.107 20 5 EGBDRO CCC[C@@H]([NH2+]C[C@H](CO)Cc1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000532279162 313778220 /nfs/dbraw/zinc/77/82/20/313778220.db2.gz ASUWHSYZPDXKMD-RDTXWAMCSA-N 1 0 332.400 3.470 20 5 EGBDRO CO[C@]1(C)C[C@H]([NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000532530529 313811555 /nfs/dbraw/zinc/81/15/55/313811555.db2.gz YZQRZMJJFUEOHI-XLWVJDPXSA-N 1 0 349.431 3.105 20 5 EGBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000537956376 314219338 /nfs/dbraw/zinc/21/93/38/314219338.db2.gz OELFELPMVOTKKM-ZFWWWQNUSA-N 1 0 347.415 3.003 20 5 EGBDRO COC[C@H](Cc1ccccc1)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000539513314 314318623 /nfs/dbraw/zinc/31/86/23/314318623.db2.gz WJELSWOHROIMJJ-VTSXBNNFSA-N 1 0 326.396 3.455 20 5 EGBDRO COC[C@@H](Cc1ccccc1)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000539513313 314318741 /nfs/dbraw/zinc/31/87/41/314318741.db2.gz WJELSWOHROIMJJ-RLGIIYIFSA-N 1 0 326.396 3.455 20 5 EGBDRO Cc1cc(NC[C@@H](CCO)CC(C)C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000541189976 314440595 /nfs/dbraw/zinc/44/05/95/314440595.db2.gz NCZOEZCSBNYQHW-AWEZNQCLSA-N 1 0 331.416 3.330 20 5 EGBDRO C[N@H+](CCC(=O)c1ccc(F)cc1)CCc1cccc([N+](=O)[O-])c1 ZINC000548934183 315064097 /nfs/dbraw/zinc/06/40/97/315064097.db2.gz UIBQYNONDBJMGK-UHFFFAOYSA-N 1 0 330.359 3.481 20 5 EGBDRO COCC[N@@H+]1CC[C@H](Nc2cc(C)c(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000549489485 315094198 /nfs/dbraw/zinc/09/41/98/315094198.db2.gz ASOFNADZJWSMLB-NSHDSACASA-N 1 0 347.337 3.055 20 5 EGBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@@H]3COc4ccccc4C3)c2c1 ZINC000551200797 315145154 /nfs/dbraw/zinc/14/51/54/315145154.db2.gz LTIOOYISWZWPTL-HNNXBMFYSA-N 1 0 337.379 3.212 20 5 EGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](CO)C(C)C ZINC000554085745 315297332 /nfs/dbraw/zinc/29/73/32/315297332.db2.gz PSYAQAFAKMNUMB-ZIAGYGMSSA-N 1 0 326.462 3.320 20 5 EGBDRO CC[C@@H](C)[C@@H](C)[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000554331059 315310418 /nfs/dbraw/zinc/31/04/18/315310418.db2.gz HZSHDIXPJFVNCS-ZIAGYGMSSA-N 1 0 345.443 3.383 20 5 EGBDRO CCC[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000563617705 316046844 /nfs/dbraw/zinc/04/68/44/316046844.db2.gz IXGRJYHJZKKNMH-CVEARBPZSA-N 1 0 336.432 3.283 20 5 EGBDRO CCCC[N@H+](C)C[C@@H](C)Nc1ncc(Br)cc1[N+](=O)[O-] ZINC000565984090 316397713 /nfs/dbraw/zinc/39/77/13/316397713.db2.gz ORPFQSKRGOKKEW-SNVBAGLBSA-N 1 0 345.241 3.285 20 5 EGBDRO C[C@@H](C(=O)NCC[C@H](C)[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000567535607 316631082 /nfs/dbraw/zinc/63/10/82/316631082.db2.gz MMWAOODXPIBGGO-LSDHHAIUSA-N 1 0 333.432 3.079 20 5 EGBDRO CC(C)(C)[C@H]1C[C@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000570626049 317083434 /nfs/dbraw/zinc/08/34/34/317083434.db2.gz XLKJBCYAAWASRF-CZUORRHYSA-N 1 0 349.431 3.107 20 5 EGBDRO C[C@H](C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000571106445 317151255 /nfs/dbraw/zinc/15/12/55/317151255.db2.gz PRHRGSCMCGMNAC-JKSUJKDBSA-N 1 0 345.443 3.033 20 5 EGBDRO C[C@H]([NH2+][C@H]1CCC[C@@H](N2CCCC2=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000574466186 317601588 /nfs/dbraw/zinc/60/15/88/317601588.db2.gz UMPHYJNCXVTOOH-JLJPHGGASA-N 1 0 331.416 3.179 20 5 EGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](C)CCCO ZINC000296656070 456002489 /nfs/dbraw/zinc/00/24/89/456002489.db2.gz ZISCVRVHSGLWBP-KBPBESRZSA-N 1 0 326.462 3.464 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccc(F)cc2F)cc1[N+](=O)[O-] ZINC000181814699 323505796 /nfs/dbraw/zinc/50/57/96/323505796.db2.gz UUIQKXPYUPKOAN-LLVKDONJSA-N 1 0 349.337 3.471 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)Nc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000181826608 323507089 /nfs/dbraw/zinc/50/70/89/323507089.db2.gz IGGDJXLVJXTIDZ-GFCCVEGCSA-N 1 0 331.347 3.332 20 5 EGBDRO Cc1cccc(C(C)(C)[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000182427307 323550572 /nfs/dbraw/zinc/55/05/72/323550572.db2.gz IQOBGJVRGQCTCP-INIZCTEOSA-N 1 0 344.411 3.168 20 5 EGBDRO C[C@@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)C1CCCCC1 ZINC000576853652 324694955 /nfs/dbraw/zinc/69/49/55/324694955.db2.gz JREMOJCJNQHPAT-CXAGYDPISA-N 1 0 331.416 3.259 20 5 EGBDRO CCC(CC)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000578178466 324931463 /nfs/dbraw/zinc/93/14/63/324931463.db2.gz VDXDZDAUSOGXIB-UHFFFAOYSA-N 1 0 348.184 3.478 20 5 EGBDRO O=[N+]([O-])c1cccc(OCC[N@H+]2CCCC[C@@H]2[C@H]2CCCC[C@H]2O)c1 ZINC000579430953 325107651 /nfs/dbraw/zinc/10/76/51/325107651.db2.gz BIBJOTCYJJRGBO-GUDVDZBRSA-N 1 0 348.443 3.379 20 5 EGBDRO Cc1cccc([C@H](C)C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000581662598 325380668 /nfs/dbraw/zinc/38/06/68/325380668.db2.gz OTFZZMWATNTEMJ-QAPCUYQASA-N 1 0 344.411 3.036 20 5 EGBDRO COC1CCN(C(C)(C)C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000582370784 325436782 /nfs/dbraw/zinc/43/67/82/325436782.db2.gz ZCBKVJPONYCMPR-KRWDZBQOSA-N 1 0 347.459 3.061 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCn3ccnc3)s2)cc1 ZINC000237989331 455242145 /nfs/dbraw/zinc/24/21/45/455242145.db2.gz GYBCTUJLJKMGKQ-UHFFFAOYSA-N 1 0 328.397 3.310 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+][C@@H]1CCO[C@H](C2CC2)C1)C1CC1 ZINC000157899739 455246588 /nfs/dbraw/zinc/24/65/88/455246588.db2.gz UYGDMYREHPIRJK-LMMKCTJWSA-N 1 0 330.428 3.463 20 5 EGBDRO Cc1ccccc1[C@@H](CC(C)C)[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000183238082 455257154 /nfs/dbraw/zinc/25/71/54/455257154.db2.gz AOCMOCYZWJSJJT-GOSISDBHSA-N 1 0 343.427 3.442 20 5 EGBDRO Cc1ccc([C@@H](CNC(=O)c2cc(C)ccc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000173283989 455259130 /nfs/dbraw/zinc/25/91/30/455259130.db2.gz YUDKXWWYDVRFPY-GOSISDBHSA-N 1 0 341.411 3.244 20 5 EGBDRO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000173436605 455283241 /nfs/dbraw/zinc/28/32/41/455283241.db2.gz JPKXUUVKMNBARH-UNEWFSDZSA-N 1 0 343.427 3.137 20 5 EGBDRO Cn1cc(C[N@H+](C)Cc2ccncc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000183744546 455325934 /nfs/dbraw/zinc/32/59/34/455325934.db2.gz DZEACPZFOINZTO-UHFFFAOYSA-N 1 0 337.383 3.022 20 5 EGBDRO O=[N+]([O-])c1ccc(CO)c(-c2cccc(C[C@H]3CCCC[NH2+]3)c2)c1 ZINC000600782547 460601976 /nfs/dbraw/zinc/60/19/76/460601976.db2.gz MWDRRFFWBLGOJH-QGZVFWFLSA-N 1 0 326.396 3.439 20 5 EGBDRO C[C@@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCS1 ZINC000190689272 455367688 /nfs/dbraw/zinc/36/76/88/455367688.db2.gz GDHMTDVZPWJXSZ-CYBMUJFWSA-N 1 0 346.456 3.323 20 5 EGBDRO COc1ccc(NC(=O)C[N@H+](C)CC2CCCCC2)c([N+](=O)[O-])c1 ZINC000029455054 453828957 /nfs/dbraw/zinc/82/89/57/453828957.db2.gz DSOPTXQMYXCCLE-UHFFFAOYSA-N 1 0 335.404 3.054 20 5 EGBDRO O=[N+]([O-])c1cccc(OCC[N@@H+](Cc2ccco2)C[C@H]2CCCO2)c1 ZINC000066436377 453845276 /nfs/dbraw/zinc/84/52/76/453845276.db2.gz DXEFASBPWUURDG-GOSISDBHSA-N 1 0 346.383 3.248 20 5 EGBDRO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CCc1ccccc1 ZINC000053048281 453854546 /nfs/dbraw/zinc/85/45/46/453854546.db2.gz VEHHQVSXKUNCRM-UHFFFAOYSA-N 1 0 327.384 3.098 20 5 EGBDRO C[N@H+](CCCNC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000032779519 453890801 /nfs/dbraw/zinc/89/08/01/453890801.db2.gz NGTUCYDQQPYOIV-UHFFFAOYSA-N 1 0 334.420 3.371 20 5 EGBDRO C[NH+](C)[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000033040383 453901466 /nfs/dbraw/zinc/90/14/66/453901466.db2.gz NFERFIQXDOSCSH-MRXNPFEDSA-N 1 0 328.372 3.019 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000067145306 453906392 /nfs/dbraw/zinc/90/63/92/453906392.db2.gz WNAMIQNSASGCKV-UHFFFAOYSA-N 1 0 333.432 3.288 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000067592507 453946463 /nfs/dbraw/zinc/94/64/63/453946463.db2.gz ILNGMWYCMPVOGL-CYBMUJFWSA-N 1 0 333.432 3.144 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000067966724 453985123 /nfs/dbraw/zinc/98/51/23/453985123.db2.gz IQKVUWFMIZPZAB-KRWDZBQOSA-N 1 0 342.399 3.397 20 5 EGBDRO C[C@@H]1CCC[N@H+](Cc2ccc(CNc3c([N+](=O)[O-])ncn3C)cc2)C1 ZINC000076750634 454032958 /nfs/dbraw/zinc/03/29/58/454032958.db2.gz JKGZZIOQJSQEQD-CQSZACIVSA-N 1 0 343.431 3.172 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCC[NH+]1CCC(C)CC1 ZINC000085638249 454035558 /nfs/dbraw/zinc/03/55/58/454035558.db2.gz SWMLAZIQJYBWAQ-UHFFFAOYSA-N 1 0 334.420 3.065 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000043149104 454045437 /nfs/dbraw/zinc/04/54/37/454045437.db2.gz BJBXDBJJSYLMKP-UHFFFAOYSA-N 1 0 334.420 3.145 20 5 EGBDRO C[N@H+](CCc1nc(-c2ccccc2)no1)Cc1ccc([N+](=O)[O-])cc1 ZINC000077271839 454083931 /nfs/dbraw/zinc/08/39/31/454083931.db2.gz VYBDPQNETISXOH-UHFFFAOYSA-N 1 0 338.367 3.319 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CC[C@H]4OCCC[C@H]4C3)co2)cc1 ZINC000245922169 455399138 /nfs/dbraw/zinc/39/91/38/455399138.db2.gz SVOHCVGRGYIEJD-WMLDXEAASA-N 1 0 343.383 3.251 20 5 EGBDRO Cc1nn(C)c(NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000057829691 454150366 /nfs/dbraw/zinc/15/03/66/454150366.db2.gz CUDMRRLCWGGKCI-MRXNPFEDSA-N 1 0 343.431 3.194 20 5 EGBDRO CC(C)[NH+](CCNC(=O)c1cc([N+](=O)[O-])ccc1Cl)C(C)C ZINC000070755494 454174768 /nfs/dbraw/zinc/17/47/68/454174768.db2.gz RERJCGKBUWUSAG-UHFFFAOYSA-N 1 0 327.812 3.097 20 5 EGBDRO Cn1cc(C[C@@H]2CC[N@H+](Cc3c(Cl)cccc3[N+](=O)[O-])C2)cn1 ZINC000119270784 454182007 /nfs/dbraw/zinc/18/20/07/454182007.db2.gz ATJDQBFHQLIPNA-LBPRGKRZSA-N 1 0 334.807 3.046 20 5 EGBDRO Cc1c([C@@H](C)[NH2+][C@H](C(=O)N2CCCC2)C(C)C)cccc1[N+](=O)[O-] ZINC000089723233 454183267 /nfs/dbraw/zinc/18/32/67/454183267.db2.gz IXDQBNYEBZWIEL-PBHICJAKSA-N 1 0 333.432 3.201 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1ccc(NC(C)=O)cc1 ZINC000182061857 455427338 /nfs/dbraw/zinc/42/73/38/455427338.db2.gz LMZQBROBOBMEPR-LBPRGKRZSA-N 1 0 343.383 3.413 20 5 EGBDRO Cc1cccc(C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000130764714 454216382 /nfs/dbraw/zinc/21/63/82/454216382.db2.gz KHJSPNUVNSTJAZ-MRXNPFEDSA-N 1 0 345.374 3.075 20 5 EGBDRO CC(C)C[NH+]1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000089882526 454224779 /nfs/dbraw/zinc/22/47/79/454224779.db2.gz IZQIXVNBAYVJRH-UHFFFAOYSA-N 1 0 344.415 3.023 20 5 EGBDRO C[C@@H]([NH2+][C@H](CO)Cc1c[nH]c2ccccc12)c1ccc([N+](=O)[O-])cc1 ZINC000095968080 454242750 /nfs/dbraw/zinc/24/27/50/454242750.db2.gz KLHYEFPMIDSMDH-CJNGLKHVSA-N 1 0 339.395 3.330 20 5 EGBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+](C)[C@@H](C)CC ZINC000131279270 454244680 /nfs/dbraw/zinc/24/46/80/454244680.db2.gz JVZKLKXVUNYMJJ-LBPRGKRZSA-N 1 0 339.461 3.167 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[N@H+](C[C@H]2CCCO2)[C@@H]2CCSC2)cc1 ZINC000089952880 454245927 /nfs/dbraw/zinc/24/59/27/454245927.db2.gz KVFFBHHWCBSJAE-IAGOWNOFSA-N 1 0 336.457 3.124 20 5 EGBDRO Cc1cccc(C(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000059890325 454263496 /nfs/dbraw/zinc/26/34/96/454263496.db2.gz OEKGOXQJHGQYEC-ACJLOTCBSA-N 1 0 333.432 3.144 20 5 EGBDRO COc1ccc([C@H](CCO)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000120383085 454293798 /nfs/dbraw/zinc/29/37/98/454293798.db2.gz ARKSOLMLCXCLNY-ACJLOTCBSA-N 1 0 330.384 3.378 20 5 EGBDRO C[C@@H]1CCN(c2ccc([N+](=O)[O-])cn2)CC[N@@H+]1Cc1ccccc1 ZINC000078689250 454299441 /nfs/dbraw/zinc/29/94/41/454299441.db2.gz XBVPZZWYWKLCDQ-OAHLLOKOSA-N 1 0 326.400 3.091 20 5 EGBDRO CCC[C@@H]1CCC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000120823586 454351855 /nfs/dbraw/zinc/35/18/55/454351855.db2.gz ULUCBPBBPSSCRR-CQSZACIVSA-N 1 0 347.415 3.405 20 5 EGBDRO Cc1cccc(C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000047415833 454369214 /nfs/dbraw/zinc/36/92/14/454369214.db2.gz YARHVQIAROUEDG-ZIAGYGMSSA-N 1 0 333.432 3.001 20 5 EGBDRO CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000079309576 454396165 /nfs/dbraw/zinc/39/61/65/454396165.db2.gz MIPNPUMPLKDKKI-OFQRWUPVSA-N 1 0 333.432 3.425 20 5 EGBDRO COCCOC1CCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000097083875 454403369 /nfs/dbraw/zinc/40/33/69/454403369.db2.gz RBKXDHPJOGJQCT-UHFFFAOYSA-N 1 0 345.399 3.083 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C)CC1 ZINC000063309311 454405304 /nfs/dbraw/zinc/40/53/04/454405304.db2.gz DUKPCAJCNGHQMU-CHWSQXEVSA-N 1 0 335.404 3.052 20 5 EGBDRO CCOC(=O)c1cc(NC2CC[NH+](C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000121221580 454408243 /nfs/dbraw/zinc/40/82/43/454408243.db2.gz LOOCEJPXVFFPOM-UHFFFAOYSA-N 1 0 335.404 3.056 20 5 EGBDRO O=[N+]([O-])c1cccc(OCCN2CC[NH+](CC3CCCCC3)CC2)c1 ZINC000064130599 454468372 /nfs/dbraw/zinc/46/83/72/454468372.db2.gz KSPMMUIFPWFPSG-UHFFFAOYSA-N 1 0 347.459 3.172 20 5 EGBDRO CC(C)[N@H+](C)CC1CCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000064381794 454478307 /nfs/dbraw/zinc/47/83/07/454478307.db2.gz IVZWCZLLALVHKR-BQYQJAHWSA-N 1 0 345.443 3.187 20 5 EGBDRO O=[N+]([O-])c1ccc(OCC[N@H+]2CC=C(c3ccc(O)cc3)CC2)cc1 ZINC000065209181 454537764 /nfs/dbraw/zinc/53/77/64/454537764.db2.gz FBSKFQCKWWTNTK-UHFFFAOYSA-N 1 0 340.379 3.469 20 5 EGBDRO CC[C@H](O)C[N@H+](Cc1ccccc1)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000134491687 454550213 /nfs/dbraw/zinc/55/02/13/454550213.db2.gz KCMUJSBQWAXOGF-KRWDZBQOSA-N 1 0 344.411 3.377 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000065302514 454551045 /nfs/dbraw/zinc/55/10/45/454551045.db2.gz YUMRMNARXXZARW-AWEZNQCLSA-N 1 0 334.420 3.145 20 5 EGBDRO CC(C)([NH2+]Cc1cc2ccccc2[nH]c1=O)c1ccc([N+](=O)[O-])cc1 ZINC000080347398 454569787 /nfs/dbraw/zinc/56/97/87/454569787.db2.gz KQMITUHLPXRHMW-UHFFFAOYSA-N 1 0 337.379 3.461 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1OC(F)F ZINC000092609674 454593598 /nfs/dbraw/zinc/59/35/98/454593598.db2.gz CPIQGPPOSJQOTP-VXGBXAGGSA-N 1 0 327.331 3.235 20 5 EGBDRO Cc1cc(N2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000092642499 454598166 /nfs/dbraw/zinc/59/81/66/454598166.db2.gz BZSRTNDRYMFXEK-HZPDHXFCSA-N 1 0 347.459 3.229 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134863047 454599757 /nfs/dbraw/zinc/59/97/57/454599757.db2.gz OCWITYOQGKNKHN-RDTXWAMCSA-N 1 0 345.443 3.052 20 5 EGBDRO CC[NH+](CC)[C@@H](C(=O)NCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000104870361 454609322 /nfs/dbraw/zinc/60/93/22/454609322.db2.gz YSEMHMWPPGXXAK-GOSISDBHSA-N 1 0 341.411 3.294 20 5 EGBDRO C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])s2)C[N@@H+]1Cc1ccccc1 ZINC000134938004 454612184 /nfs/dbraw/zinc/61/21/84/454612184.db2.gz AJGZQHCWBQBRIR-TZMCWYRMSA-N 1 0 345.424 3.049 20 5 EGBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](Cc3ccncc3)CC2)c(F)c1 ZINC000052447966 454673636 /nfs/dbraw/zinc/67/36/36/454673636.db2.gz LIOLUGWPVZKCQQ-UHFFFAOYSA-N 1 0 330.363 3.205 20 5 EGBDRO CSC[C@@H]1CCC[N@@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000135420516 454674673 /nfs/dbraw/zinc/67/46/73/454674673.db2.gz DUQYVNJSXLONJI-ZDUSSCGKSA-N 1 0 337.445 3.059 20 5 EGBDRO Cc1ccc(Sc2ccc(C[NH2+][C@H](C)C(N)=O)cc2[N+](=O)[O-])cc1 ZINC000135941448 454709862 /nfs/dbraw/zinc/70/98/62/454709862.db2.gz KASXEIUEPPRWIS-GFCCVEGCSA-N 1 0 345.424 3.018 20 5 EGBDRO CCOc1ccc([C@@H](C)[NH2+]C2CCN(C3CC3)CC2)cc1[N+](=O)[O-] ZINC000152691732 454713179 /nfs/dbraw/zinc/71/31/79/454713179.db2.gz NIGMEVSTYKHQFT-CYBMUJFWSA-N 1 0 333.432 3.271 20 5 EGBDRO CC[C@@H](O)CC[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000124365549 454724169 /nfs/dbraw/zinc/72/41/69/454724169.db2.gz FIUNUXOIVWMJIT-GFCCVEGCSA-N 1 0 334.372 3.114 20 5 EGBDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000161987159 454743116 /nfs/dbraw/zinc/74/31/16/454743116.db2.gz CWFKIZZLNVFUTR-HNNXBMFYSA-N 1 0 333.432 3.288 20 5 EGBDRO CCOC(=O)CC[C@@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000162302887 454766108 /nfs/dbraw/zinc/76/61/08/454766108.db2.gz MIXBYCSDMIVFGF-INIZCTEOSA-N 1 0 334.416 3.193 20 5 EGBDRO C[C@@H]1CCC[C@H]([NH2+]CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)[C@@H]1C ZINC000162938097 454810485 /nfs/dbraw/zinc/81/04/85/454810485.db2.gz WSHAEHDXTJKSQJ-NFAWXSAZSA-N 1 0 347.415 3.307 20 5 EGBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000142029876 454833888 /nfs/dbraw/zinc/83/38/88/454833888.db2.gz MNIGNTQMOVXPCY-CQSZACIVSA-N 1 0 345.424 3.120 20 5 EGBDRO CCOC(=O)N1CCC([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000125688801 454839454 /nfs/dbraw/zinc/83/94/54/454839454.db2.gz MJBIIBHTEFZZRS-CYBMUJFWSA-N 1 0 335.404 3.175 20 5 EGBDRO Cc1c(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000177611728 454882909 /nfs/dbraw/zinc/88/29/09/454882909.db2.gz OMFZBWPWLJHZQD-CQSZACIVSA-N 1 0 331.416 3.496 20 5 EGBDRO CCC(O)(CC)C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000113330804 454922921 /nfs/dbraw/zinc/92/29/21/454922921.db2.gz KSKZFURGFOXLOX-UHFFFAOYSA-N 1 0 335.429 3.359 20 5 EGBDRO COc1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)cc1[N+](=O)[O-] ZINC000168963993 454928796 /nfs/dbraw/zinc/92/87/96/454928796.db2.gz DCZGCSMRZLVQPY-XKQJLSEDSA-N 1 0 332.400 3.041 20 5 EGBDRO COc1ccc(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCCC3)cc1[N+](=O)[O-] ZINC000168964074 454928877 /nfs/dbraw/zinc/92/88/77/454928877.db2.gz DCZGCSMRZLVQPY-JQFCIGGWSA-N 1 0 332.400 3.041 20 5 EGBDRO O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cc2ccccc2c2cccnc12 ZINC000178481378 454956590 /nfs/dbraw/zinc/95/65/90/454956590.db2.gz GXJSWZVRVWNPSG-XYPWUTKMSA-N 1 0 331.419 3.401 20 5 EGBDRO Cc1ccccc1C[C@@H](CO)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000191564451 455498032 /nfs/dbraw/zinc/49/80/32/455498032.db2.gz PWABDNSJSXHNMF-WBVHZDCISA-N 1 0 328.412 3.466 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@@H](C)c1ccncc1 ZINC000127650338 454984872 /nfs/dbraw/zinc/98/48/72/454984872.db2.gz IDIBOSZAEQGYKS-AWEZNQCLSA-N 1 0 342.399 3.320 20 5 EGBDRO COc1ccccc1C(C)(C)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000178868989 454986433 /nfs/dbraw/zinc/98/64/33/454986433.db2.gz UGMAOJKBDFZFBU-INIZCTEOSA-N 1 0 330.384 3.162 20 5 EGBDRO C[C@H]([NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])C(=O)NC(C)(C)C ZINC000179138261 455012772 /nfs/dbraw/zinc/01/27/72/455012772.db2.gz XCSROSJUWCLQEC-LZWOXQAQSA-N 1 0 347.459 3.199 20 5 EGBDRO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(N2CCOC2=O)cc1 ZINC000171128747 455034581 /nfs/dbraw/zinc/03/45/81/455034581.db2.gz NGSWANQZDIMHLU-ZDUSSCGKSA-N 1 0 341.367 3.402 20 5 EGBDRO O=[N+]([O-])c1cccc(C[N@@H+](C[C@H](O)Cc2ccccc2)C2CC2)c1 ZINC000155719167 455035657 /nfs/dbraw/zinc/03/56/57/455035657.db2.gz ZFBOIZYLSRMWKV-LJQANCHMSA-N 1 0 326.396 3.163 20 5 EGBDRO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)cc1 ZINC000151926992 455050051 /nfs/dbraw/zinc/05/00/51/455050051.db2.gz QJVHCBQIECMJTM-NVXWUHKLSA-N 1 0 346.383 3.155 20 5 EGBDRO C[NH+](C)CCc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000152093732 455071975 /nfs/dbraw/zinc/07/19/75/455071975.db2.gz FUOWKOGYFUGMNH-UHFFFAOYSA-N 1 0 345.374 3.019 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000156004786 455072120 /nfs/dbraw/zinc/07/21/20/455072120.db2.gz VOTBXKYKAIIALY-UHFFFAOYSA-N 1 0 346.387 3.092 20 5 EGBDRO Cc1c(NC(=O)N2CC[NH+](C3CCCCC3)CC2)cccc1[N+](=O)[O-] ZINC000152434926 455118886 /nfs/dbraw/zinc/11/88/86/455118886.db2.gz QGVBVOPBYVVLOT-UHFFFAOYSA-N 1 0 346.431 3.385 20 5 EGBDRO CCNC(=O)c1ccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000156552089 455131650 /nfs/dbraw/zinc/13/16/50/455131650.db2.gz AKGBDXPFEKNWEG-CYBMUJFWSA-N 1 0 327.384 3.195 20 5 EGBDRO Cc1c(NC(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)cccc1[N+](=O)[O-] ZINC000156552542 455131679 /nfs/dbraw/zinc/13/16/79/455131679.db2.gz WYLMJYBBEOLTLY-OAHLLOKOSA-N 1 0 348.447 3.393 20 5 EGBDRO COc1ccc(C[N@@H+]2CCC[C@H](c3nccs3)C2)cc1[N+](=O)[O-] ZINC000156989214 455160149 /nfs/dbraw/zinc/16/01/49/455160149.db2.gz WVLCBSXVBUXTKR-ZDUSSCGKSA-N 1 0 333.413 3.440 20 5 EGBDRO Cc1cc(C)cc(OC[C@@H](O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000180428694 455168275 /nfs/dbraw/zinc/16/82/75/455168275.db2.gz RJTQHRLXWWUSTL-QAPCUYQASA-N 1 0 344.411 3.302 20 5 EGBDRO COc1ccc(-c2ccc(CN[C@H](C)CC[NH+](C)C)o2)c([N+](=O)[O-])c1 ZINC000237288686 455168572 /nfs/dbraw/zinc/16/85/72/455168572.db2.gz OUAVZAMQYAAGAX-CYBMUJFWSA-N 1 0 347.415 3.293 20 5 EGBDRO COCCCOC1CC[NH+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000182807951 455168700 /nfs/dbraw/zinc/16/87/00/455168700.db2.gz MEPTXCIXGPMGEY-OAHLLOKOSA-N 1 0 336.432 3.482 20 5 EGBDRO C[N@@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C[C@H]1CCC[C@@H]1O ZINC000180531784 455190813 /nfs/dbraw/zinc/19/08/13/455190813.db2.gz AZQLMEAQDXSECF-PBHICJAKSA-N 1 0 330.384 3.448 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)CC(C)(C)CN1CCOCC1 ZINC000182925828 455192006 /nfs/dbraw/zinc/19/20/06/455192006.db2.gz WZSJGZCFLGSEGB-MRXNPFEDSA-N 1 0 349.475 3.254 20 5 EGBDRO COc1ccc(OCC[N@H+](C)[C@@H](C)CCSC)c([N+](=O)[O-])c1 ZINC000173482282 455291256 /nfs/dbraw/zinc/29/12/56/455291256.db2.gz KKLFZQIATLULQW-LBPRGKRZSA-N 1 0 328.434 3.056 20 5 EGBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000172840917 455195599 /nfs/dbraw/zinc/19/55/99/455195599.db2.gz CYWJNDIPILNAIB-LBPRGKRZSA-N 1 0 339.823 3.195 20 5 EGBDRO CCN(CCC[NH+]1CCCC1)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000189435233 455196013 /nfs/dbraw/zinc/19/60/13/455196013.db2.gz BSGJNOWUWKAFDG-UHFFFAOYSA-N 1 0 334.420 3.243 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1[C@H](C)C[C@@H]2CCCC[C@H]21 ZINC000245443487 455301716 /nfs/dbraw/zinc/30/17/16/455301716.db2.gz IUBHXQGBCHRQGO-JKIFEVAISA-N 1 0 331.416 3.495 20 5 EGBDRO C[NH+](C)CC[C@H](NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)C(C)(C)C ZINC000265370666 455314216 /nfs/dbraw/zinc/31/42/16/455314216.db2.gz OMCXYYXXJRWVQS-INIZCTEOSA-N 1 0 346.431 3.172 20 5 EGBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@@H](c2ccccc2F)C2CCCC2)n1 ZINC000181487243 455342408 /nfs/dbraw/zinc/34/24/08/455342408.db2.gz MIFBONBMVGNTQV-QGZVFWFLSA-N 1 0 332.379 3.452 20 5 EGBDRO Cc1cc(NCCCOC[C@@H]2CCOC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000181506060 455345314 /nfs/dbraw/zinc/34/53/14/455345314.db2.gz XSLMMBKPHQFIAK-AWEZNQCLSA-N 1 0 345.399 3.307 20 5 EGBDRO CC(C)OC(=O)C[C@@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000184452818 455383254 /nfs/dbraw/zinc/38/32/54/455383254.db2.gz CZVBOWDUYTZIAQ-INIZCTEOSA-N 1 0 334.416 3.191 20 5 EGBDRO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000184850977 455459890 /nfs/dbraw/zinc/45/98/90/455459890.db2.gz XRWPVEAMXKZNEX-HNNXBMFYSA-N 1 0 345.399 3.074 20 5 EGBDRO C[C@H](CCNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000182221153 455464692 /nfs/dbraw/zinc/46/46/92/455464692.db2.gz XBKCSKZCVWRMRE-GFCCVEGCSA-N 1 0 339.823 3.243 20 5 EGBDRO C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000266921163 455475139 /nfs/dbraw/zinc/47/51/39/455475139.db2.gz YQEPIVNMDNZGCU-KSSFIOAISA-N 1 0 339.395 3.047 20 5 EGBDRO Cc1cccc([C@@H](C)[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])c1C ZINC000182426008 455511550 /nfs/dbraw/zinc/51/15/50/455511550.db2.gz BANCHPRQEWRSOB-HZPDHXFCSA-N 1 0 344.411 3.302 20 5 EGBDRO O=[N+]([O-])c1cccc(C[NH+]2CCC(OC[C@H]3CCCCO3)CC2)c1 ZINC000267359677 455546775 /nfs/dbraw/zinc/54/67/75/455546775.db2.gz HVXLYRHRSGFADY-GOSISDBHSA-N 1 0 334.416 3.145 20 5 EGBDRO CC[C@@H](NC(=O)N1CC[N@H+](C)C[C@H]1C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000247064799 455554041 /nfs/dbraw/zinc/55/40/41/455554041.db2.gz OGRVVNFGVQSRIQ-SJORKVTESA-N 1 0 348.447 3.028 20 5 EGBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000271450913 455641414 /nfs/dbraw/zinc/64/14/14/455641414.db2.gz DOGUYVNHIKRJFG-ZFWWWQNUSA-N 1 0 347.415 3.003 20 5 EGBDRO CC[C@H]1C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H](C)O1 ZINC000247738077 455642827 /nfs/dbraw/zinc/64/28/27/455642827.db2.gz WETDLFTUOVIUFQ-CJNGLKHVSA-N 1 0 345.399 3.292 20 5 EGBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cccc(N2CCOCC2)c1 ZINC000271501228 455661942 /nfs/dbraw/zinc/66/19/42/455661942.db2.gz QVDFKHSRIQYXTB-HNNXBMFYSA-N 1 0 341.411 3.282 20 5 EGBDRO C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000277814188 455675058 /nfs/dbraw/zinc/67/50/58/455675058.db2.gz KRXGQSUVMDOBBH-XJKSGUPXSA-N 1 0 349.431 3.330 20 5 EGBDRO COc1cc(C[N@@H+]2CC[C@H](C)[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000248367241 455707206 /nfs/dbraw/zinc/70/72/06/455707206.db2.gz TVGLADWKRFNWRU-UWVGGRQHSA-N 1 0 330.331 3.435 20 5 EGBDRO C[C@@H](c1ccccc1)[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248374730 455708699 /nfs/dbraw/zinc/70/86/99/455708699.db2.gz SVDMQRWWHJYDCT-GOEBONIOSA-N 1 0 330.384 3.028 20 5 EGBDRO C[NH+](C)CC1(CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CCCC1 ZINC000186187635 455713116 /nfs/dbraw/zinc/71/31/16/455713116.db2.gz HCGARVHBORWRJZ-UHFFFAOYSA-N 1 0 339.823 3.100 20 5 EGBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192954807 455726256 /nfs/dbraw/zinc/72/62/56/455726256.db2.gz CZBORGJLFVZUCP-INIZCTEOSA-N 1 0 326.400 3.232 20 5 EGBDRO CC(=O)Nc1cccc([C@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])c1 ZINC000268964620 455746806 /nfs/dbraw/zinc/74/68/06/455746806.db2.gz WRILAJOLOAHYMW-ZDUSSCGKSA-N 1 0 327.384 3.447 20 5 EGBDRO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](C)CC2)c([N+](=O)[O-])c1 ZINC000249839923 455777725 /nfs/dbraw/zinc/77/77/25/455777725.db2.gz VPOOKWLBELCGFL-QWHCGFSZSA-N 1 0 335.404 3.052 20 5 EGBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)[C@H](O)c1cccc(F)c1 ZINC000285264037 455815034 /nfs/dbraw/zinc/81/50/34/455815034.db2.gz QNINJKNTVDAPMJ-RVPKQNPDSA-N 1 0 333.363 3.089 20 5 EGBDRO Cc1ccccc1NC(=O)CC[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285442839 455846204 /nfs/dbraw/zinc/84/62/04/455846204.db2.gz XSKPPKLTYQVFBI-UHFFFAOYSA-N 1 0 341.411 3.406 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000194480221 455848629 /nfs/dbraw/zinc/84/86/29/455848629.db2.gz BJRXVUCYLJXNDO-KBPBESRZSA-N 1 0 347.459 3.390 20 5 EGBDRO CC(=O)c1cc(N[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000285583904 455875545 /nfs/dbraw/zinc/87/55/45/455875545.db2.gz KSZKPJPQTYMLEJ-QGZVFWFLSA-N 1 0 339.395 3.484 20 5 EGBDRO Cc1ccc(C(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000187180058 455877440 /nfs/dbraw/zinc/87/74/40/455877440.db2.gz CLDZPFTUYNKENE-KDOFPFPSSA-N 1 0 341.411 3.324 20 5 EGBDRO COc1ccc(-c2ccc(CN3CC[C@](C)(C[NH3+])C3)o2)c([N+](=O)[O-])c1 ZINC000261617015 455914629 /nfs/dbraw/zinc/91/46/29/455914629.db2.gz BTGOUHPWRRNMCX-GOSISDBHSA-N 1 0 345.399 3.034 20 5 EGBDRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000285855892 455929651 /nfs/dbraw/zinc/92/96/51/455929651.db2.gz YDLCLLVNUKXSOI-UHFFFAOYSA-N 1 0 346.387 3.174 20 5 EGBDRO CCS[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000286200709 455998846 /nfs/dbraw/zinc/99/88/46/455998846.db2.gz PZUWCYRLDNYMAC-TUKIKUTGSA-N 1 0 337.445 3.186 20 5 EGBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000296682965 456009215 /nfs/dbraw/zinc/00/92/15/456009215.db2.gz IOKLZAQIQPMYFK-LJISPDSOSA-N 1 0 333.432 3.138 20 5 EGBDRO CCC(=O)c1ccc(N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c([N+](=O)[O-])c1 ZINC000280648105 456022405 /nfs/dbraw/zinc/02/24/05/456022405.db2.gz FEDGQKFTVHOJNS-CABCVRRESA-N 1 0 331.416 3.108 20 5 EGBDRO Cc1cc(C(=O)Nc2ncc(C3CC[NH2+]CC3)s2)ccc1[N+](=O)[O-] ZINC000262384399 456030772 /nfs/dbraw/zinc/03/07/72/456030772.db2.gz YGMDKSDTDJNBDV-UHFFFAOYSA-N 1 0 346.412 3.079 20 5 EGBDRO C[C@H](NC(=O)NCC(C)(C)C[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000296897554 456062635 /nfs/dbraw/zinc/06/26/35/456062635.db2.gz RQGNKSOGBAFUKA-AWEZNQCLSA-N 1 0 348.447 3.077 20 5 EGBDRO Cc1cccc(C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)c1[N+](=O)[O-] ZINC000280910042 456078876 /nfs/dbraw/zinc/07/88/76/456078876.db2.gz GTWGJOYYYQTKJU-MRXNPFEDSA-N 1 0 345.443 3.430 20 5 EGBDRO CC(C)[N@H+](C)CCCNc1ccc(Br)cc1[N+](=O)[O-] ZINC000227758898 456118381 /nfs/dbraw/zinc/11/83/81/456118381.db2.gz BOHFABDBHDZNAO-UHFFFAOYSA-N 1 0 330.226 3.500 20 5 EGBDRO C[C@@H](Nc1ccc([N+](=O)[O-])c(OC(F)F)c1)C1=CC[N@H+](C)CC1 ZINC000273015352 456145346 /nfs/dbraw/zinc/14/53/46/456145346.db2.gz SQEHTGQOWGJUHV-SNVBAGLBSA-N 1 0 327.331 3.259 20 5 EGBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1ccc([N+](=O)[O-])cn1 ZINC000301604570 456159228 /nfs/dbraw/zinc/15/92/28/456159228.db2.gz XSJMYYKYZXACBW-YOEHRIQHSA-N 1 0 326.400 3.312 20 5 EGBDRO Cc1cc([N+](=O)[O-])cnc1N1CCN(Cc2ccccc2Cl)CC1 ZINC000301700068 456191658 /nfs/dbraw/zinc/19/16/58/456191658.db2.gz FIOFWKHWFKRCIE-UHFFFAOYSA-N 1 0 346.818 3.274 20 5 EGBDRO COc1cc(NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000301955602 456258050 /nfs/dbraw/zinc/25/80/50/456258050.db2.gz KSBICYCUHCIJJS-NWDGAFQWSA-N 1 0 325.384 3.275 20 5 EGBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)[C@H]1SC ZINC000297644004 456269513 /nfs/dbraw/zinc/26/95/13/456269513.db2.gz MWOQSCMZOWTASS-MGPQQGTHSA-N 1 0 330.837 3.247 20 5 EGBDRO C[C@@H]([NH2+]C1CCN(c2nccs2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000281698630 456295894 /nfs/dbraw/zinc/29/58/94/456295894.db2.gz SPYCXCBBJTXEFW-GFCCVEGCSA-N 1 0 332.429 3.371 20 5 EGBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1ncc([N+](=O)[O-])s1 ZINC000281964707 456375180 /nfs/dbraw/zinc/37/51/80/456375180.db2.gz RBHOGMGFVBDWOH-JSGCOSHPSA-N 1 0 332.429 3.374 20 5 EGBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1ncc([N+](=O)[O-])s1 ZINC000281964704 456375605 /nfs/dbraw/zinc/37/56/05/456375605.db2.gz RBHOGMGFVBDWOH-GXTWGEPZSA-N 1 0 332.429 3.374 20 5 EGBDRO CCCN(CCC[NH+](C)C)C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000276179032 456406110 /nfs/dbraw/zinc/40/61/10/456406110.db2.gz HAMDKFRLBFVDDW-UHFFFAOYSA-N 1 0 327.812 3.052 20 5 EGBDRO O=C(C[N@@H+]1CCC[C@@H]2CCCC[C@H]21)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000302914129 456435411 /nfs/dbraw/zinc/43/54/11/456435411.db2.gz UVFZYYROAAFLMJ-WMLDXEAASA-N 1 0 343.427 3.139 20 5 EGBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCC[N@H+](C)C(C)C ZINC000343230958 456469750 /nfs/dbraw/zinc/46/97/50/456469750.db2.gz JXUYHHINKXSKDD-UHFFFAOYSA-N 1 0 339.461 3.167 20 5 EGBDRO CS[C@H](CO)[C@@H](C)[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290933405 456471802 /nfs/dbraw/zinc/47/18/02/456471802.db2.gz SHHTYKICUXQWFT-RDDDGLTNSA-N 1 0 339.244 3.104 20 5 EGBDRO CN(CCc1cccc([N+](=O)[O-])c1)Cc1noc(-c2ccsc2)n1 ZINC000282338852 456481596 /nfs/dbraw/zinc/48/15/96/456481596.db2.gz BRVGNZXYFUXPDM-UHFFFAOYSA-N 1 0 344.396 3.381 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C1CCN(c2nccs2)CC1 ZINC000282367165 456491183 /nfs/dbraw/zinc/49/11/83/456491183.db2.gz WPNNOEVEYDGKQR-HWKANZROSA-N 1 0 344.440 3.323 20 5 EGBDRO C[NH+](C)[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000298646177 456508619 /nfs/dbraw/zinc/50/86/19/456508619.db2.gz VPECUTRMHRNLGT-CYBMUJFWSA-N 1 0 334.401 3.081 20 5 EGBDRO C[C@@H]([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CCCOC1 ZINC000348140458 456512015 /nfs/dbraw/zinc/51/20/15/456512015.db2.gz KSLDURUXGCJGQC-OCCSQVGLSA-N 1 0 331.372 3.155 20 5 EGBDRO C[C@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)[NH+]1CCC(C)CC1 ZINC000343335994 456539687 /nfs/dbraw/zinc/53/96/87/456539687.db2.gz OLBDZJPMZXHPCG-CYBMUJFWSA-N 1 0 345.399 3.191 20 5 EGBDRO CCCNC(=O)C1([NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)CCCCC1 ZINC000282639257 456576336 /nfs/dbraw/zinc/57/63/36/456576336.db2.gz BLSIPXUKWPIUOB-UHFFFAOYSA-N 1 0 337.395 3.053 20 5 EGBDRO Cc1cnc(N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000310382806 456581882 /nfs/dbraw/zinc/58/18/82/456581882.db2.gz PSWOTHKOYSNLPG-GDBMZVCRSA-N 1 0 326.400 3.373 20 5 EGBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000324989560 456676047 /nfs/dbraw/zinc/67/60/47/456676047.db2.gz VWVFNDWLZXWDOA-INIZCTEOSA-N 1 0 327.384 3.033 20 5 EGBDRO Cc1cc(NCC2([C@H](O)C(C)C)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000340804683 456694637 /nfs/dbraw/zinc/69/46/37/456694637.db2.gz TUJCWXZGTMDJPB-QGZVFWFLSA-N 1 0 329.400 3.082 20 5 EGBDRO C[C@@H]1CC[N@H+](C)CCN1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000353433538 456694884 /nfs/dbraw/zinc/69/48/84/456694884.db2.gz GVKXIHHSPYAPSO-CQSZACIVSA-N 1 0 329.400 3.381 20 5 EGBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)cc1F ZINC000283252672 456744716 /nfs/dbraw/zinc/74/47/16/456744716.db2.gz VMWYQHSTWLUNEK-CJNGLKHVSA-N 1 0 334.347 3.415 20 5 EGBDRO C[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CCC(C)(C)CC1 ZINC000343619188 456748142 /nfs/dbraw/zinc/74/81/42/456748142.db2.gz UVROFWWTOJHPIK-OAHLLOKOSA-N 1 0 336.432 3.235 20 5 EGBDRO Cc1cc(NC(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000338352299 456782655 /nfs/dbraw/zinc/78/26/55/456782655.db2.gz GMQUZKCKSIUPDJ-JSGCOSHPSA-N 1 0 334.420 3.145 20 5 EGBDRO CCCC[N@@H+]1CCCC[C@H]1CNc1ccc(C(=O)NC)cc1[N+](=O)[O-] ZINC000338396285 456793766 /nfs/dbraw/zinc/79/37/66/456793766.db2.gz DBZOKULNRQDXFX-HNNXBMFYSA-N 1 0 348.447 3.021 20 5 EGBDRO COc1ccc2c(c1OC)CCN(Cc1csc([N+](=O)[O-])c1)C2 ZINC000340983352 456797384 /nfs/dbraw/zinc/79/73/84/456797384.db2.gz KNPGWNDTEQEKRL-UHFFFAOYSA-N 1 0 334.397 3.232 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1C(=O)Nc1cc(C[NH+](C)C)ccc1C ZINC000277375486 456800283 /nfs/dbraw/zinc/80/02/83/456800283.db2.gz DNOKKEJVWBMNAM-UHFFFAOYSA-N 1 0 343.383 3.226 20 5 EGBDRO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000340987481 456800473 /nfs/dbraw/zinc/80/04/73/456800473.db2.gz MHYVBZOAXWQNDQ-HNNXBMFYSA-N 1 0 343.383 3.041 20 5 EGBDRO CCc1ccc([C@H](COC)N[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)o1 ZINC000283692652 456825637 /nfs/dbraw/zinc/82/56/37/456825637.db2.gz AKHOLZHYPVCETD-ABAIWWIYSA-N 1 0 333.388 3.371 20 5 EGBDRO C[C@@H]1CCC[C@@](CNC(=O)Nc2cccc([N+](=O)[O-])c2)([NH+](C)C)C1 ZINC000339102815 456941830 /nfs/dbraw/zinc/94/18/30/456941830.db2.gz UYTYEUKSAHPBCC-CXAGYDPISA-N 1 0 334.420 3.227 20 5 EGBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1ncnc2sc([N+](=O)[O-])cc21 ZINC000341845747 456968830 /nfs/dbraw/zinc/96/88/30/456968830.db2.gz QAEPEPLNZOCGKP-UTUOFQBUSA-N 1 0 349.460 3.378 20 5 EGBDRO CC[NH+](CC)Cc1ccc(CNc2ncc([N+](=O)[O-])cc2C)cc1 ZINC000341914255 456998903 /nfs/dbraw/zinc/99/89/03/456998903.db2.gz HPQIRBSAAFUWJJ-UHFFFAOYSA-N 1 0 328.416 3.174 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](CC2CC2)C1 ZINC000339677051 457207148 /nfs/dbraw/zinc/20/71/48/457207148.db2.gz AGOXXEQHANUQER-CQSZACIVSA-N 1 0 347.415 3.054 20 5 EGBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H](CO)c2ccccc2Cl)cs1 ZINC000342293217 457218132 /nfs/dbraw/zinc/21/81/32/457218132.db2.gz ATRCENOFFPNGLH-NSHDSACASA-N 1 0 326.805 3.175 20 5 EGBDRO CC(C)(C)[C@H]1CCC[N@@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000331694252 457233341 /nfs/dbraw/zinc/23/33/41/457233341.db2.gz YAKYJWHHRHEMQM-MRXNPFEDSA-N 1 0 347.415 3.403 20 5 EGBDRO COCCC[N@H+](C)CCNc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000342365471 457258851 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EGBDRO CCn1c(C)nc([N+](=O)[O-])c1NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000360991663 457495211 /nfs/dbraw/zinc/49/52/11/457495211.db2.gz VGAOEGQYNSERBO-AWEZNQCLSA-N 1 0 345.447 3.442 20 5 EGBDRO COc1ccc(C[N@@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)cc1[N+](=O)[O-] ZINC000425370054 457525365 /nfs/dbraw/zinc/52/53/65/457525365.db2.gz IPAJUXPNZSVGEP-SFHVURJKSA-N 1 0 346.427 3.385 20 5 EGBDRO C[C@@H](CCNc1ncnc2sc([N+](=O)[O-])cc21)[NH+]1CCCCC1 ZINC000342856930 457559859 /nfs/dbraw/zinc/55/98/59/457559859.db2.gz WIIYUSGFJQKQBU-NSHDSACASA-N 1 0 335.433 3.276 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3CCc4c[nH]nc4C3)o2)cc1 ZINC000374541287 457651881 /nfs/dbraw/zinc/65/18/81/457651881.db2.gz LHCSDOXAXDKIRS-AWEZNQCLSA-N 1 0 338.367 3.225 20 5 EGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)Cn1cccn1 ZINC000358001985 457736195 /nfs/dbraw/zinc/73/61/95/457736195.db2.gz FXPQHVVNRXEEJG-UONOGXRCSA-N 1 0 334.445 3.340 20 5 EGBDRO CSC1(C[NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000433077033 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335.404 3.052 20 5 EGBDRO O=C(CN1CCC[C@H]2CCC[C@H]21)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000444189499 457865152 /nfs/dbraw/zinc/86/51/52/457865152.db2.gz VIYPILUNDIIYHU-BXUZGUMPSA-N 1 0 337.807 3.451 20 5 EGBDRO CC[N@@H+]1C[C@H](C)N(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)C[C@@H]1C ZINC000361871228 457919635 /nfs/dbraw/zinc/91/96/35/457919635.db2.gz JGYFMKARQGSJCX-KBPBESRZSA-N 1 0 334.420 3.158 20 5 EGBDRO CC[C@@H]([NH2+][C@@H]1CCOC2(CCOCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000358318113 457930280 /nfs/dbraw/zinc/93/02/80/457930280.db2.gz LYARBLSNUKJGKJ-NVXWUHKLSA-N 1 0 334.416 3.364 20 5 EGBDRO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@@H]1CCCC[C@H]1C ZINC000444671262 457933894 /nfs/dbraw/zinc/93/38/94/457933894.db2.gz ZONOPGVSKVOBOE-CZUORRHYSA-N 1 0 349.431 3.443 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@H]1CC[C@H](C)C1 ZINC000411632740 457934606 /nfs/dbraw/zinc/93/46/06/457934606.db2.gz GSPBVHINWXGBKK-STQMWFEESA-N 1 0 335.404 3.052 20 5 EGBDRO CCC(CC)[N@H+](CC)CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000411732516 457966727 /nfs/dbraw/zinc/96/67/27/457966727.db2.gz DJKRTTKXTZULFA-UHFFFAOYSA-N 1 0 337.420 3.443 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H](C(C)C)C1 ZINC000444773599 457972870 /nfs/dbraw/zinc/97/28/70/457972870.db2.gz RTLRVIQUNYEMMZ-AWEZNQCLSA-N 1 0 349.431 3.300 20 5 EGBDRO Cc1cccc(NCC[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])n1 ZINC000358392707 457974548 /nfs/dbraw/zinc/97/45/48/457974548.db2.gz DRSCMLNJUUFJQS-CQSZACIVSA-N 1 0 328.416 3.321 20 5 EGBDRO Cc1cc(NC(=O)Cc2cccc([N+](=O)[O-])c2)ccc1C[NH+](C)C ZINC000458266095 457993434 /nfs/dbraw/zinc/99/34/34/457993434.db2.gz DEBKIBFDZCUXIU-UHFFFAOYSA-N 1 0 327.384 3.146 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)CCN1CCOC(C)(C)C1 ZINC000434700503 458038023 /nfs/dbraw/zinc/03/80/23/458038023.db2.gz VEJWYVKQFJPQCM-OAHLLOKOSA-N 1 0 335.448 3.007 20 5 EGBDRO COC1([C@H](C)[NH2+]Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CCC1 ZINC000412019849 458047666 /nfs/dbraw/zinc/04/76/66/458047666.db2.gz GNGUZOYOOLDQQZ-LBPRGKRZSA-N 1 0 331.372 3.297 20 5 EGBDRO COCC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)C[C@H]1CC=CCC1 ZINC000362244732 458048838 /nfs/dbraw/zinc/04/88/38/458048838.db2.gz NNZUHLXAGNRSIR-HNNXBMFYSA-N 1 0 334.416 3.408 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](c2ccnn2C)C1 ZINC000371825720 458088372 /nfs/dbraw/zinc/08/83/72/458088372.db2.gz YDMPWSMWEFUYLK-CQSZACIVSA-N 1 0 344.415 3.107 20 5 EGBDRO Cn1cnc([N+](=O)[O-])c1C[N@H+](CCc1ccc(F)cc1)C1CCCC1 ZINC000362488353 458211847 /nfs/dbraw/zinc/21/18/47/458211847.db2.gz YPORCZLLNDELBQ-UHFFFAOYSA-N 1 0 346.406 3.455 20 5 EGBDRO C[C@@H](C1CCCCC1)[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000447394163 458291935 /nfs/dbraw/zinc/29/19/35/458291935.db2.gz KVCAXLAFUYNNCS-WMLDXEAASA-N 1 0 336.432 3.235 20 5 EGBDRO CC(C)(C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)N1CCCCC1 ZINC000447512056 458301712 /nfs/dbraw/zinc/30/17/12/458301712.db2.gz OFZVBBHWCZELHU-CVEARBPZSA-N 1 0 349.479 3.129 20 5 EGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCc2ccc(F)cc2)n1 ZINC000447514513 458303726 /nfs/dbraw/zinc/30/37/26/458303726.db2.gz FSWUUOXJUHYVOK-JKSUJKDBSA-N 1 0 332.379 3.246 20 5 EGBDRO Cc1ccccc1OCC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447532550 458307111 /nfs/dbraw/zinc/30/71/11/458307111.db2.gz URZZXACISDVYTD-HZPDHXFCSA-N 1 0 344.415 3.252 20 5 EGBDRO COc1ccc([C@@H](C)C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000369698598 458318408 /nfs/dbraw/zinc/31/84/08/458318408.db2.gz WQAJUMIEANXNIX-AWEZNQCLSA-N 1 0 344.415 3.241 20 5 EGBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000430128991 458406565 /nfs/dbraw/zinc/40/65/65/458406565.db2.gz HZYHPENNDJKTNK-IOEBQAGCSA-N 1 0 329.444 3.270 20 5 EGBDRO CC(C)[N@H+](C)CCCNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437171331 458432204 /nfs/dbraw/zinc/43/22/04/458432204.db2.gz KFNVWICRGVUWRK-UHFFFAOYSA-N 1 0 347.337 3.074 20 5 EGBDRO O=[N+]([O-])c1ccc2oc(C[N@H+]3CC[C@@H](O)[C@H](C4CCCC4)C3)nc2c1 ZINC000459800701 458482815 /nfs/dbraw/zinc/48/28/15/458482815.db2.gz KPPGMNLGBOSOOS-GOEBONIOSA-N 1 0 345.399 3.109 20 5 EGBDRO CCC[C@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CCC1 ZINC000459809597 458484265 /nfs/dbraw/zinc/48/42/65/458484265.db2.gz SWMCVYAYDIADEY-INIZCTEOSA-N 1 0 331.416 3.042 20 5 EGBDRO O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000437840705 458501039 /nfs/dbraw/zinc/50/10/39/458501039.db2.gz MRYJQGGSOJYCCG-KRWDZBQOSA-N 1 0 331.416 3.122 20 5 EGBDRO O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)c1ccc([N+](=O)[O-])s1 ZINC000437851610 458503031 /nfs/dbraw/zinc/50/30/31/458503031.db2.gz OTQRPVSBTAFECN-ZDUSSCGKSA-N 1 0 337.445 3.183 20 5 EGBDRO CC(C)C[C@@H]1CCC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000468869775 458540219 /nfs/dbraw/zinc/54/02/19/458540219.db2.gz HJHFPLYMTKIVCH-HNNXBMFYSA-N 1 0 333.432 3.316 20 5 EGBDRO COC(=O)[C@](C)(C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000468905092 458543177 /nfs/dbraw/zinc/54/31/77/458543177.db2.gz HCMIJBBRTYMUFS-IFXJQAMLSA-N 1 0 342.395 3.376 20 5 EGBDRO Cc1ccc([C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)c2ccccc2)cc1 ZINC000494037560 458618113 /nfs/dbraw/zinc/61/81/13/458618113.db2.gz HKNFUHSKLXQTFV-LJQANCHMSA-N 1 0 336.395 3.479 20 5 EGBDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000438914162 458628822 /nfs/dbraw/zinc/62/88/22/458628822.db2.gz UDWKVLWCRZMMEI-KRWDZBQOSA-N 1 0 347.459 3.217 20 5 EGBDRO Cc1cc(C[NH3+])cc(NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000424427352 458641509 /nfs/dbraw/zinc/64/15/09/458641509.db2.gz PBMCOWZJNWNITP-UHFFFAOYSA-N 1 0 342.399 3.068 20 5 EGBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCC[N@H+](CC)C1 ZINC000462762782 458651251 /nfs/dbraw/zinc/65/12/51/458651251.db2.gz OAKATCBVVZRAMS-DLBZAZTESA-N 1 0 347.459 3.012 20 5 EGBDRO O=[N+]([O-])c1ccc(NCCC[NH+]2CCCCC2)c(OC(F)F)c1 ZINC000546895957 458686098 /nfs/dbraw/zinc/68/60/98/458686098.db2.gz QAHRBPWVHRWERY-UHFFFAOYSA-N 1 0 329.347 3.484 20 5 EGBDRO C[NH+](C)[C@H](CNc1ccnc2c1cccc2[N+](=O)[O-])c1ccco1 ZINC000432312283 458712358 /nfs/dbraw/zinc/71/23/58/458712358.db2.gz NTKCQTUVJPHDMG-OAHLLOKOSA-N 1 0 326.356 3.451 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000463960925 458726231 /nfs/dbraw/zinc/72/62/31/458726231.db2.gz YOFDTQXZDXSQGG-IUODEOHRSA-N 1 0 348.447 3.454 20 5 EGBDRO Cc1cccc([N+](=O)[O-])c1N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000530379360 458757683 /nfs/dbraw/zinc/75/76/83/458757683.db2.gz IJMDQIBLTJBGLB-HDICACEKSA-N 1 0 337.423 3.471 20 5 EGBDRO C[N@H+](CCOCc1ccccc1)CCOc1ccccc1[N+](=O)[O-] ZINC000464847280 458784249 /nfs/dbraw/zinc/78/42/49/458784249.db2.gz CQIMJCANBWUHSV-UHFFFAOYSA-N 1 0 330.384 3.122 20 5 EGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[N@H+](C)CCCNC(=O)C1CCC1 ZINC000432796543 458788124 /nfs/dbraw/zinc/78/81/24/458788124.db2.gz HWQIQVVVSPAOAC-OAHLLOKOSA-N 1 0 347.459 3.154 20 5 EGBDRO COc1ccc(OCC[NH2+]C2(c3ccc(F)cc3)CC2)c([N+](=O)[O-])c1 ZINC000440296913 458801562 /nfs/dbraw/zinc/80/15/62/458801562.db2.gz ZNHXPIQMGDLFLT-UHFFFAOYSA-N 1 0 346.358 3.400 20 5 EGBDRO COc1ccc(CN2CC[N@H+](C)CC23CCCCC3)cc1[N+](=O)[O-] ZINC000530925047 458846609 /nfs/dbraw/zinc/84/66/09/458846609.db2.gz FZKOGZHKCUPRSF-UHFFFAOYSA-N 1 0 333.432 3.054 20 5 EGBDRO C[NH+](C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000531067312 458866195 /nfs/dbraw/zinc/86/61/95/458866195.db2.gz MSNWQCDGNSWPQL-INIZCTEOSA-N 1 0 347.802 3.281 20 5 EGBDRO CCc1ccc(C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000531072712 458867477 /nfs/dbraw/zinc/86/74/77/458867477.db2.gz DZUCSMQGVDMUQK-UHFFFAOYSA-N 1 0 333.432 3.104 20 5 EGBDRO CC[C@@H]([NH2+]Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)C(C)(C)C ZINC000474350836 458878844 /nfs/dbraw/zinc/87/88/44/458878844.db2.gz ADFKUELTIOUSGZ-OAHLLOKOSA-N 1 0 338.404 3.061 20 5 EGBDRO Cc1ccc(NC(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)cc1[N+](=O)[O-] ZINC000466289935 458891776 /nfs/dbraw/zinc/89/17/76/458891776.db2.gz WSUGQWFENPJPAW-INIZCTEOSA-N 1 0 346.431 3.289 20 5 EGBDRO COc1ccc(OCC[N@H+](C)Cc2ccccc2F)c([N+](=O)[O-])c1 ZINC000441224241 458902449 /nfs/dbraw/zinc/90/24/49/458902449.db2.gz FDGOIIREMNEYSE-UHFFFAOYSA-N 1 0 334.347 3.253 20 5 EGBDRO C[C@@H](C[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1)NC(=O)OC(C)(C)C ZINC000495752594 458941640 /nfs/dbraw/zinc/94/16/40/458941640.db2.gz JBAPEJYLBWVCFE-STQMWFEESA-N 1 0 337.420 3.376 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000576911644 458943716 /nfs/dbraw/zinc/94/37/16/458943716.db2.gz LHXOMCYFXPVTJC-AWEZNQCLSA-N 1 0 348.447 3.401 20 5 EGBDRO C[C@H](O)[C@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000576960023 458957217 /nfs/dbraw/zinc/95/72/17/458957217.db2.gz FEDMDHTVFKGMKE-QWRGUYRKSA-N 1 0 332.322 3.206 20 5 EGBDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2F)C1 ZINC000519587480 458967899 /nfs/dbraw/zinc/96/78/99/458967899.db2.gz LBBBVQJCCRZBNS-UONOGXRCSA-N 1 0 336.411 3.220 20 5 EGBDRO C[C@H](C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000519798365 459007279 /nfs/dbraw/zinc/00/72/79/459007279.db2.gz SGVGWEGFLIUXEW-RDJZCZTQSA-N 1 0 345.443 3.175 20 5 EGBDRO CN(C)[C@@H](C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])Cc1ccccc1 ZINC000577506943 459044628 /nfs/dbraw/zinc/04/46/28/459044628.db2.gz LJNMJHONHSRKRJ-VQIMIIECSA-N 1 0 339.439 3.345 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CC[C@](O)(C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000589950191 459055887 /nfs/dbraw/zinc/05/58/87/459055887.db2.gz YBIAQNRESIMVER-VHRBIJSZSA-N 1 0 332.322 3.400 20 5 EGBDRO C[C@H]([NH2+]C[C@](C)(CO)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000477861594 459063776 /nfs/dbraw/zinc/06/37/76/459063776.db2.gz NSBPYCSZZNPWBR-HNAYVOBHSA-N 1 0 328.412 3.487 20 5 EGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@H](CO)Cc1ccc(F)cc1 ZINC000594503373 459065480 /nfs/dbraw/zinc/06/54/80/459065480.db2.gz LMLFLSJOJGBUQS-KSSFIOAISA-N 1 0 344.386 3.162 20 5 EGBDRO C[C@H](C[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000594511648 459069591 /nfs/dbraw/zinc/06/95/91/459069591.db2.gz FUUYXYXYGYNUHZ-KGLIPLIRSA-N 1 0 336.432 3.483 20 5 EGBDRO O=[N+]([O-])c1ccn(CC[N@H+](CCc2ccccc2)C2CCCC2)n1 ZINC000478056555 459075344 /nfs/dbraw/zinc/07/53/44/459075344.db2.gz YXJJRQHSDSQSEH-UHFFFAOYSA-N 1 0 328.416 3.279 20 5 EGBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000557541953 459084168 /nfs/dbraw/zinc/08/41/68/459084168.db2.gz YUHXSDLIJYYKFX-AWEZNQCLSA-N 1 0 349.431 3.222 20 5 EGBDRO CC1(C)C[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)[C@@H]2CCC[C@@H]21 ZINC000590380157 459122365 /nfs/dbraw/zinc/12/23/65/459122365.db2.gz YRFUPFIHBDVJTP-UONOGXRCSA-N 1 0 332.400 3.377 20 5 EGBDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC000590659612 459174109 /nfs/dbraw/zinc/17/41/09/459174109.db2.gz YHRKYBHIGWBWJG-QGZVFWFLSA-N 1 0 340.427 3.435 20 5 EGBDRO CCOc1ccc(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000558580887 459176203 /nfs/dbraw/zinc/17/62/03/459176203.db2.gz WEXFVHTWMWUHQA-UHFFFAOYSA-N 1 0 343.383 3.112 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]Cc1cccnc1N1CCCC1 ZINC000594956308 459192535 /nfs/dbraw/zinc/19/25/35/459192535.db2.gz HRVBCQQBSCZSOC-VMPITWQZSA-N 1 0 338.411 3.393 20 5 EGBDRO CC(C)[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1ccccn1 ZINC000521980007 459198828 /nfs/dbraw/zinc/19/88/28/459198828.db2.gz OFUNCJQJICGTJE-UHFFFAOYSA-N 1 0 342.399 3.229 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1c(C2CC2)cnn1C ZINC000594985416 459205345 /nfs/dbraw/zinc/20/53/45/459205345.db2.gz MEIVRPNXPQMMRF-JYRVWZFOSA-N 1 0 326.400 3.399 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@@H]1CCN1Cc1ccccc1 ZINC000594999209 459210311 /nfs/dbraw/zinc/21/03/11/459210311.db2.gz QLELKFRNXLGJMN-IUYMFKLXSA-N 1 0 337.423 3.472 20 5 EGBDRO Cc1c([C@@H](C)[NH2+]Cc2cccc(S(C)(=O)=O)c2)cccc1[N+](=O)[O-] ZINC000590779380 459214219 /nfs/dbraw/zinc/21/42/19/459214219.db2.gz INNGUVVXXMVZNV-CYBMUJFWSA-N 1 0 348.424 3.158 20 5 EGBDRO CC(C)(C)N1CC[C@@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000595057458 459230837 /nfs/dbraw/zinc/23/08/37/459230837.db2.gz XIEBDHSLLRNVKE-IAGOWNOFSA-N 1 0 331.460 3.378 20 5 EGBDRO CC[C@@H](C)C[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000481166204 459236111 /nfs/dbraw/zinc/23/61/11/459236111.db2.gz CKJAMYBASCRJAV-CYBMUJFWSA-N 1 0 331.420 3.029 20 5 EGBDRO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@@H+]([C@@H]4C=CCCC4)CC3)nc2c1 ZINC000481180948 459237168 /nfs/dbraw/zinc/23/71/68/459237168.db2.gz VIODIVUBTHOFJE-CQSZACIVSA-N 1 0 341.415 3.092 20 5 EGBDRO CCC[C@H]([NH2+]C1CCN([C@@H]2CCOC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000595102117 459246018 /nfs/dbraw/zinc/24/60/18/459246018.db2.gz JVZHKFOFEVNUDR-MOPGFXCFSA-N 1 0 347.459 3.279 20 5 EGBDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(NC)c([N+](=O)[O-])c1 ZINC000522849063 459266488 /nfs/dbraw/zinc/26/64/88/459266488.db2.gz BXZHYDCRIIRVFD-HNNXBMFYSA-N 1 0 348.447 3.021 20 5 EGBDRO COc1cccc(C[C@@H]2CCC[N@@H+]2Cc2onc(C)c2[N+](=O)[O-])c1 ZINC000595293259 459269461 /nfs/dbraw/zinc/26/94/61/459269461.db2.gz IQONUBBFLFYWBN-AWEZNQCLSA-N 1 0 331.372 3.107 20 5 EGBDRO CC(=O)N1CCN(Cc2ccc(F)cc2[N+](=O)[O-])CC12CCCCC2 ZINC000595403104 459290916 /nfs/dbraw/zinc/29/09/16/459290916.db2.gz BJSKOEQYWQRQLU-UHFFFAOYSA-N 1 0 349.406 3.101 20 5 EGBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2C[C@@H](O)C[C@H]2c2ccccc2)cc1 ZINC000591046177 459300483 /nfs/dbraw/zinc/30/04/83/459300483.db2.gz ASSNGYOCZWZYMC-HKUYNNGSSA-N 1 0 342.395 3.172 20 5 EGBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC(c3cccc(Cl)c3)CC2)n1 ZINC000483114934 459340936 /nfs/dbraw/zinc/34/09/36/459340936.db2.gz BZZUJAVHMRZKBI-UHFFFAOYSA-N 1 0 334.807 3.324 20 5 EGBDRO CC(C)(C)[N@@H+]1CCCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC000524155968 459348391 /nfs/dbraw/zinc/34/83/91/459348391.db2.gz KCSKCDGCXQOUOV-UHFFFAOYSA-N 1 0 328.416 3.454 20 5 EGBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000568874145 459359033 /nfs/dbraw/zinc/35/90/33/459359033.db2.gz KHYRCQGUTNFGSD-CQSZACIVSA-N 1 0 335.448 3.109 20 5 EGBDRO Cc1cccc(C)c1[C@@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000595600040 459360232 /nfs/dbraw/zinc/36/02/32/459360232.db2.gz FUMLJZWBTLFZOG-KRWDZBQOSA-N 1 0 341.411 3.210 20 5 EGBDRO O=[N+]([O-])c1ccc(OCCC[NH+]2CCC(OC3CCC3)CC2)cc1 ZINC000591376670 459364501 /nfs/dbraw/zinc/36/45/01/459364501.db2.gz TWQVIKZAFKNBJI-UHFFFAOYSA-N 1 0 334.416 3.397 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](NC[C@H]2CCCC[NH2+]2)c2ccccc2)c1 ZINC000591577893 459406073 /nfs/dbraw/zinc/40/60/73/459406073.db2.gz LWPCTHXTUXEVHZ-IEBWSBKVSA-N 1 0 325.412 3.416 20 5 EGBDRO CCOc1ccc([C@H](C)N[C@H]2CC[NH2+]C3(CCC3)C2)cc1[N+](=O)[O-] ZINC000591582293 459407320 /nfs/dbraw/zinc/40/73/20/459407320.db2.gz FISUIONZBXVKDK-ZFWWWQNUSA-N 1 0 333.432 3.319 20 5 EGBDRO C[C@@]1(c2ccccc2)C[C@@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000591744340 459427931 /nfs/dbraw/zinc/42/79/31/459427931.db2.gz VTGNWSCAKSXZLV-HKUYNNGSSA-N 1 0 339.395 3.243 20 5 EGBDRO COC(=O)N1CCC(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000497127510 459450553 /nfs/dbraw/zinc/45/05/53/459450553.db2.gz HWQZZKIZOFPFPI-KRWDZBQOSA-N 1 0 347.415 3.040 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+]C1(CC(C)C)CC1 ZINC000595831463 459456769 /nfs/dbraw/zinc/45/67/69/459456769.db2.gz OXHCRBWVWFSNSO-UHFFFAOYSA-N 1 0 335.404 3.100 20 5 EGBDRO CC[C@@H](c1ccccc1)[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)C ZINC000595848610 459463206 /nfs/dbraw/zinc/46/32/06/459463206.db2.gz BHAQJGIFLXMGBL-MSOLQXFVSA-N 1 0 346.431 3.014 20 5 EGBDRO CC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000595857995 459465704 /nfs/dbraw/zinc/46/57/04/459465704.db2.gz PWJYYSUXIREIMZ-VGPLMAKISA-N 1 0 337.807 3.450 20 5 EGBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2C[C@H](c3ccccc3)[C@@H]3CCCC[C@@H]32)n1 ZINC000485881961 459475243 /nfs/dbraw/zinc/47/52/43/459475243.db2.gz HMILBLRKTJVBMQ-KSZLIROESA-N 1 0 340.427 3.450 20 5 EGBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2C[C@H](c3ccccc3)[C@@H]3CCCC[C@H]32)c1 ZINC000485884374 459476590 /nfs/dbraw/zinc/47/65/90/459476590.db2.gz WZKRHEYMCONFDF-IPMKNSEASA-N 1 0 340.427 3.450 20 5 EGBDRO O=[N+]([O-])c1ccc(CNC[C@@H]2CCC[N@H+](CC3CC3)C2)c(Cl)c1 ZINC000596058104 459503961 /nfs/dbraw/zinc/50/39/61/459503961.db2.gz CULRNOHZFGEEQU-AWEZNQCLSA-N 1 0 337.851 3.460 20 5 EGBDRO CCOc1cc(C[N@@H+]2CCC[C@H]2[C@@H]2CCCOC2)ccc1[N+](=O)[O-] ZINC000592134879 459532807 /nfs/dbraw/zinc/53/28/07/459532807.db2.gz SFAIMBXVKATJEG-CVEARBPZSA-N 1 0 334.416 3.385 20 5 EGBDRO CC(C)Oc1nc(NC2CC[NH+](C3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000583451499 459541615 /nfs/dbraw/zinc/54/16/15/459541615.db2.gz WYPOJDONLLYXLJ-UHFFFAOYSA-N 1 0 348.447 3.018 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@H](N2CCCC2=O)C1 ZINC000526063088 459541840 /nfs/dbraw/zinc/54/18/40/459541840.db2.gz RNFZXMQPWTYBJJ-RXBGNRNISA-N 1 0 343.427 3.085 20 5 EGBDRO C[C@@H]1CC2(C[N@@H+]1Cc1nc3cc([N+](=O)[O-])ccc3o1)CCOCC2 ZINC000592184108 459544476 /nfs/dbraw/zinc/54/44/76/459544476.db2.gz YZLFSAOYTGCTIW-GFCCVEGCSA-N 1 0 331.372 3.127 20 5 EGBDRO C[C@@H](Nc1c(Cl)cncc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000596190667 459554700 /nfs/dbraw/zinc/55/47/00/459554700.db2.gz WCDFUDNCTDCHLG-VXGBXAGGSA-N 1 0 338.839 3.130 20 5 EGBDRO [NH3+]C1(CNC(=O)c2cc([N+](=O)[O-])ccc2SC2CCCC2)CCC1 ZINC000592238437 459558333 /nfs/dbraw/zinc/55/83/33/459558333.db2.gz WLLQZFWJPVFTDC-UHFFFAOYSA-N 1 0 349.456 3.241 20 5 EGBDRO C[N@H+](Cc1ccccc1)[C@H](CNc1cc[nH]c(=O)c1[N+](=O)[O-])C1CC1 ZINC000596200684 459558646 /nfs/dbraw/zinc/55/86/46/459558646.db2.gz QZNCEBVYTGWFNY-MRXNPFEDSA-N 1 0 342.399 3.018 20 5 EGBDRO O=[N+]([O-])c1ccc(C(F)(F)F)cc1-c1nc([C@@H]2CCC[NH2+]2)no1 ZINC000592356386 459578250 /nfs/dbraw/zinc/57/82/50/459578250.db2.gz SYHHWYLIOYAAFN-VIFPVBQESA-N 1 0 328.250 3.088 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000498353251 459583731 /nfs/dbraw/zinc/58/37/31/459583731.db2.gz KGBXSLZGIITXCN-QGZVFWFLSA-N 1 0 333.432 3.144 20 5 EGBDRO CC(C)OCCOC1CC[NH+]([C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000583822847 459603940 /nfs/dbraw/zinc/60/39/40/459603940.db2.gz ZOMHITADGNGSNY-GOSISDBHSA-N 1 0 348.443 3.488 20 5 EGBDRO COc1ccc(OCC[N@@H+]2CCCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000498921736 459612799 /nfs/dbraw/zinc/61/27/99/459612799.db2.gz IADOPBCIYLOXHI-UHFFFAOYSA-N 1 0 342.395 3.431 20 5 EGBDRO CC(=O)c1ccc(NCC2CC[NH+](CC3CC3)CC2)c([N+](=O)[O-])c1 ZINC000596563776 459678223 /nfs/dbraw/zinc/67/82/23/459678223.db2.gz VXJXASACOZOJBA-UHFFFAOYSA-N 1 0 331.416 3.331 20 5 EGBDRO COc1ccc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])c(OC)c1 ZINC000573505413 459689433 /nfs/dbraw/zinc/68/94/33/459689433.db2.gz GZKAHJRUBYEMTN-MRXNPFEDSA-N 1 0 328.368 3.389 20 5 EGBDRO C[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]2CCCC[C@H]21 ZINC000501005019 459705703 /nfs/dbraw/zinc/70/57/03/459705703.db2.gz CSXVPNJEIQDTHN-IJEWVQPXSA-N 1 0 331.416 3.434 20 5 EGBDRO CC(C)c1cccc(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000573678034 459716643 /nfs/dbraw/zinc/71/66/43/459716643.db2.gz HTVHIFMMBWTXNX-KRWDZBQOSA-N 1 0 344.411 3.248 20 5 EGBDRO CCn1cc(C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C(C)C)cn1 ZINC000593079679 459766645 /nfs/dbraw/zinc/76/66/45/459766645.db2.gz HBYXHGDIOKPDCO-UHFFFAOYSA-N 1 0 332.404 3.101 20 5 EGBDRO Cc1cccc(C)c1[C@H](C)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000544897128 459790509 /nfs/dbraw/zinc/79/05/09/459790509.db2.gz FBFKODGKVHQXNQ-RDJZCZTQSA-N 1 0 344.411 3.302 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(C)CC[NH+]1CCCCC1 ZINC000593168851 459794502 /nfs/dbraw/zinc/79/45/02/459794502.db2.gz YRTGRXBVEMXODO-UHFFFAOYSA-N 1 0 334.420 3.161 20 5 EGBDRO COCCc1ccc(OC[C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000597074081 459830531 /nfs/dbraw/zinc/83/05/31/459830531.db2.gz AAWUWOVGICGKAA-HNNXBMFYSA-N 1 0 344.411 3.341 20 5 EGBDRO O=[N+]([O-])c1ccc(NCC23CCC[NH+]2CCC3)cc1OC(F)F ZINC000574629483 459844115 /nfs/dbraw/zinc/84/41/15/459844115.db2.gz GBMROVCJZFNQSN-UHFFFAOYSA-N 1 0 327.331 3.237 20 5 EGBDRO Cn1cc(C[N@@H+]2C[C@@H]3CCCC[C@@H]32)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000597159563 459857152 /nfs/dbraw/zinc/85/71/52/459857152.db2.gz OIAPIOPTVISZKX-YOEHRIQHSA-N 1 0 326.400 3.370 20 5 EGBDRO CCC[N@@H+]1CC[C@@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000598343814 459872902 /nfs/dbraw/zinc/87/29/02/459872902.db2.gz ZBOPPDKLBOLVCG-GFCCVEGCSA-N 1 0 333.413 3.024 20 5 EGBDRO C[C@@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@]1(C)CO ZINC000597236128 459888467 /nfs/dbraw/zinc/88/84/67/459888467.db2.gz NZMRMOSKWVRWHA-ACJLOTCBSA-N 1 0 330.384 3.305 20 5 EGBDRO O=[N+]([O-])c1sccc1NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000618161103 459911047 /nfs/dbraw/zinc/91/10/47/459911047.db2.gz RWSNFJRYALTSIP-OAHLLOKOSA-N 1 0 347.440 3.225 20 5 EGBDRO C[C@@H]1CCC[C@@H](C)C1[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602531620 459985867 /nfs/dbraw/zinc/98/58/67/459985867.db2.gz YPCPPUWEBZSSQH-ZIAGYGMSSA-N 1 0 332.448 3.373 20 5 EGBDRO COc1cc(C[NH2+]CC2CC(C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000598676005 459988293 /nfs/dbraw/zinc/98/82/93/459988293.db2.gz CLIRXYBWIOKVOE-UHFFFAOYSA-N 1 0 344.358 3.383 20 5 EGBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000609594392 459989800 /nfs/dbraw/zinc/98/98/00/459989800.db2.gz TUMZWTXFCVLDOZ-CYBMUJFWSA-N 1 0 344.415 3.070 20 5 EGBDRO CCC[C@](C)(CO)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602544804 459990109 /nfs/dbraw/zinc/99/01/09/459990109.db2.gz CSGLVBKLDVPDAF-LLVKDONJSA-N 1 0 337.239 3.060 20 5 EGBDRO O=[N+]([O-])c1sc(C[NH2+][C@@H]2CCCSC2)cc1Br ZINC000602567277 460001022 /nfs/dbraw/zinc/00/10/22/460001022.db2.gz JRSXSWBNMIUMJK-SSDOTTSWSA-N 1 0 337.264 3.404 20 5 EGBDRO CC(C)C[C@@H]1C[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CCO1 ZINC000602585427 460010899 /nfs/dbraw/zinc/01/08/99/460010899.db2.gz QSUWTCLACIGJEB-TZMCWYRMSA-N 1 0 333.388 3.419 20 5 EGBDRO C[C@@H]([NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)[C@@H]1CCCCO1 ZINC000602587173 460012737 /nfs/dbraw/zinc/01/27/37/460012737.db2.gz PICBTBYYCWYRRG-KCJUWKMLSA-N 1 0 349.250 3.466 20 5 EGBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000618460377 460017058 /nfs/dbraw/zinc/01/70/58/460017058.db2.gz CDIMLHDDENVPDJ-LLVKDONJSA-N 1 0 339.823 3.017 20 5 EGBDRO C[C@H]([NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)[C@@H]1CCCOC1 ZINC000602602851 460019168 /nfs/dbraw/zinc/01/91/68/460019168.db2.gz CPRUWTBTSUMOTE-DTWKUNHWSA-N 1 0 349.250 3.324 20 5 EGBDRO C[C@@H]([NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)[C@@H]1CCCOC1 ZINC000602602853 460019221 /nfs/dbraw/zinc/01/92/21/460019221.db2.gz CPRUWTBTSUMOTE-RKDXNWHRSA-N 1 0 349.250 3.324 20 5 EGBDRO Cc1ccc([C@H](CNc2c(Cl)cncc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000589109663 460030897 /nfs/dbraw/zinc/03/08/97/460030897.db2.gz RCNMSUKMELGQEP-AWEZNQCLSA-N 1 0 334.807 3.088 20 5 EGBDRO CC[NH+](CC)Cc1ccc(C(=O)N2CCc3c2cccc3[N+](=O)[O-])o1 ZINC000609971613 460042565 /nfs/dbraw/zinc/04/25/65/460042565.db2.gz LMMPUNHAHASHJP-UHFFFAOYSA-N 1 0 343.383 3.233 20 5 EGBDRO COC(=O)C(C)(C)CC[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602660537 460050273 /nfs/dbraw/zinc/05/02/73/460050273.db2.gz FIDORRLUPFTMPG-UHFFFAOYSA-N 1 0 348.321 3.293 20 5 EGBDRO CO[C@H]([C@H](C)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)C1CC1 ZINC000602679664 460061948 /nfs/dbraw/zinc/06/19/48/460061948.db2.gz HQVSMSUBLSOHCW-WRWORJQWSA-N 1 0 349.250 3.322 20 5 EGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@@H]2CCOc3ccccc32)n1 ZINC000618561690 460061929 /nfs/dbraw/zinc/06/19/29/460061929.db2.gz LXBGNKYARIRZTB-BZUAXINKSA-N 1 0 342.399 3.388 20 5 EGBDRO CC1(C)C[C@H]([NH2+][C@@H]2CCO[C@]3(CCOC3)C2)c2cc([N+](=O)[O-])ccc21 ZINC000576094341 460068261 /nfs/dbraw/zinc/06/82/61/460068261.db2.gz QMOJLGKUPOXJMV-XVGQJIODSA-N 1 0 346.427 3.245 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000597861996 460084016 /nfs/dbraw/zinc/08/40/16/460084016.db2.gz YNSGMYBAODCVBP-OAHLLOKOSA-N 1 0 347.459 3.370 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@H](c3noc(C4CC4)n3)C2)cc1 ZINC000610248228 460098563 /nfs/dbraw/zinc/09/85/63/460098563.db2.gz YAHRRBQJOOKVDC-HNNXBMFYSA-N 1 0 342.399 3.277 20 5 EGBDRO Cc1cc(NCCn2cnc3ccccc32)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000589567768 460103440 /nfs/dbraw/zinc/10/34/40/460103440.db2.gz XRCNWAKJMLRVRZ-UHFFFAOYSA-N 1 0 347.378 3.335 20 5 EGBDRO COc1cccc([C@@H](C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)OC)c1 ZINC000598987498 460118985 /nfs/dbraw/zinc/11/89/85/460118985.db2.gz ISKUTSYKKYSZBJ-GOSISDBHSA-N 1 0 330.384 3.389 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@H](C)C[C@@H]1c1ccccc1F ZINC000602785506 460124198 /nfs/dbraw/zinc/12/41/98/460124198.db2.gz UPQIYMXVCWEPLS-MLGOLLRUSA-N 1 0 332.379 3.322 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)Cc1cccc(OC(C)C)c1 ZINC000602795508 460129474 /nfs/dbraw/zinc/12/94/74/460129474.db2.gz NCRRVQMKDRAKOK-UHFFFAOYSA-N 1 0 332.404 3.019 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CC[C@@](CO)(c2ccccc2)C1 ZINC000589737668 460132977 /nfs/dbraw/zinc/13/29/77/460132977.db2.gz PAOMHNJMQJOINM-LQOHYYORSA-N 1 0 338.407 3.244 20 5 EGBDRO CCC(C)(C)[NH+]1CCN(C(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000594389483 460203888 /nfs/dbraw/zinc/20/38/88/460203888.db2.gz JOTIIBBJQWFXJO-CQSZACIVSA-N 1 0 333.432 3.031 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+](Cc1ccccc1)[C@H](C)C1CC1 ZINC000610782889 460236267 /nfs/dbraw/zinc/23/62/67/460236267.db2.gz RJUPKNQMHAGXIG-CQSZACIVSA-N 1 0 328.416 3.400 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1CN1CC(c2nc3ccccc3[nH]2)C1 ZINC000610844629 460246556 /nfs/dbraw/zinc/24/65/56/460246556.db2.gz DRKFPIMRXHZORI-UHFFFAOYSA-N 1 0 338.367 3.079 20 5 EGBDRO CN(c1ccccc1)c1ccc(C[NH2+]CC(C)(C)CO)cc1[N+](=O)[O-] ZINC000610916176 460260452 /nfs/dbraw/zinc/26/04/52/460260452.db2.gz UUDMEHOGNLNUDR-UHFFFAOYSA-N 1 0 343.427 3.471 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)nc1-c1ccccc1 ZINC000611182845 460303184 /nfs/dbraw/zinc/30/31/84/460303184.db2.gz GTINQGOEQSPOTA-HOTGVXAUSA-N 1 0 338.411 3.117 20 5 EGBDRO C[C@H](Nc1ccc([N+](=O)[O-])c(-c2ccccc2)n1)C1CC[NH+](C)CC1 ZINC000611182217 460303474 /nfs/dbraw/zinc/30/34/74/460303474.db2.gz LYWNLVMNLFUSSS-AWEZNQCLSA-N 1 0 340.427 3.221 20 5 EGBDRO COc1ccc([C@H]([NH2+]CCOc2cccc([N+](=O)[O-])c2)C2CC2)cn1 ZINC000599700849 460315637 /nfs/dbraw/zinc/31/56/37/460315637.db2.gz QMYPSIPZCJIJOY-GOSISDBHSA-N 1 0 343.383 3.118 20 5 EGBDRO Cn1nccc1[C@@H]1CCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000611262861 460321423 /nfs/dbraw/zinc/32/14/23/460321423.db2.gz XPZBIRDHBCQEET-HQQUCIOCSA-N 1 0 326.400 3.221 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCC[C@H](CCO)C3)o2)cc1 ZINC000611268911 460323524 /nfs/dbraw/zinc/32/35/24/460323524.db2.gz BYXVNTGNLRNSOM-CQSZACIVSA-N 1 0 330.384 3.449 20 5 EGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1cc(C)ncn1 ZINC000611337266 460339248 /nfs/dbraw/zinc/33/92/48/460339248.db2.gz NNNJGYAMOMTZNJ-CYBMUJFWSA-N 1 0 332.429 3.354 20 5 EGBDRO CNC(=O)[C@H](CC(C)C)[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000611477034 460372556 /nfs/dbraw/zinc/37/25/56/460372556.db2.gz NVJKUHXTPSAWAS-UAGQMJEPSA-N 1 0 347.459 3.056 20 5 EGBDRO Cc1ccc(NC(=O)N2CC[NH+](CCC(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000604080009 460376323 /nfs/dbraw/zinc/37/63/23/460376323.db2.gz PFJLRDLAYXPSET-UHFFFAOYSA-N 1 0 348.447 3.489 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C)c1ccsc1 ZINC000619783082 460442744 /nfs/dbraw/zinc/44/27/44/460442744.db2.gz OGSJSZYLGJCHHQ-NSHDSACASA-N 1 0 349.412 3.344 20 5 EGBDRO CC[C@@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000612121338 460547957 /nfs/dbraw/zinc/54/79/57/460547957.db2.gz IWUJSBQXSJKHKP-HZPDHXFCSA-N 1 0 336.432 3.283 20 5 EGBDRO CCOc1cc(C[N@@H+]2CCC[C@H](n3ccnc3)C2)ccc1[N+](=O)[O-] ZINC000617196451 460773025 /nfs/dbraw/zinc/77/30/25/460773025.db2.gz LCQPORPULLNLIC-HNNXBMFYSA-N 1 0 330.388 3.027 20 5 EGBDRO Cc1ncc([C@@H](C)[NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)s1 ZINC000601298352 460779815 /nfs/dbraw/zinc/77/98/15/460779815.db2.gz MWFASDHKVNOPOU-WDEREUQCSA-N 1 0 348.428 3.428 20 5 EGBDRO C[C@H]([NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)[C@@H](O)C(F)(F)F ZINC000601301339 460781424 /nfs/dbraw/zinc/78/14/24/460781424.db2.gz YPMODCMGJQKTQV-AQUOVQTQSA-N 1 0 332.322 3.219 20 5 EGBDRO Cc1ncc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)s1 ZINC000601936372 460950925 /nfs/dbraw/zinc/95/09/25/460950925.db2.gz SNLMGNPKGBWFOV-ZJUUUORDSA-N 1 0 334.401 3.038 20 5 EGBDRO Cc1cc(N2CCCC[C@H]2CC[NH3+])nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000601980526 460968615 /nfs/dbraw/zinc/96/86/15/460968615.db2.gz MNWGNXDAEIHRQF-HNNXBMFYSA-N 1 0 341.415 3.068 20 5 EGBDRO CCN(CC[NH+]1CCCCCC1)C(=O)c1cc([N+](=O)[O-])ccc1C ZINC000331985440 517646577 /nfs/dbraw/zinc/64/65/77/517646577.db2.gz LSPSCGDWWJLVGO-UHFFFAOYSA-N 1 0 333.432 3.241 20 5 EGBDRO CCO[C@H]1C[C@@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000459640853 517720710 /nfs/dbraw/zinc/72/07/10/517720710.db2.gz FNBCASYQSGQYSI-JNSHFYNHSA-N 1 0 333.413 3.375 20 5 EGBDRO CC(C)(C)OC(=O)NCC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000132832240 526465059 /nfs/dbraw/zinc/46/50/59/526465059.db2.gz WSCGABVGQHZXTD-OAHLLOKOSA-N 1 0 349.431 3.030 20 5 EGBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CSCCS2)cc1[N+](=O)[O-] ZINC000154181657 528607016 /nfs/dbraw/zinc/60/70/16/528607016.db2.gz KEMKEFSLVCWPOA-WCQYABFASA-N 1 0 342.486 3.493 20 5 EGBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000134708745 529013618 /nfs/dbraw/zinc/01/36/18/529013618.db2.gz TVCRVLQNIXCUSB-LBPRGKRZSA-N 1 0 339.823 3.098 20 5 EGBDRO CC[C@H]1[C@H](C)CC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000185678882 529341567 /nfs/dbraw/zinc/34/15/67/529341567.db2.gz LSUIXBYSWFFZKE-DOMZBBRYSA-N 1 0 335.404 3.052 20 5 EGBDRO CCC[N@H+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000266177867 535263637 /nfs/dbraw/zinc/26/36/37/535263637.db2.gz BJRSJZPVEDKNTM-LBPRGKRZSA-N 1 0 343.374 3.364 20 5 EGBDRO CCc1cccc(NC(=O)C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000732230297 575247071 /nfs/dbraw/zinc/24/70/71/575247071.db2.gz AZWIOIXUUDBILF-UHFFFAOYSA-N 1 0 327.384 3.194 20 5 EGBDRO O=C(C[N@@H+]1CCC[C@H]2CCC[C@H]21)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000744409385 576827603 /nfs/dbraw/zinc/82/76/03/576827603.db2.gz PNKIPEHKBOJDEE-BXUZGUMPSA-N 1 0 337.807 3.451 20 5 EGBDRO [NH3+]CCCCCCNC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000831291443 1292837351 /nfs/dbraw/zinc/83/73/51/1292837351.db2.gz NJDFAPXYIHHDNX-MRXNPFEDSA-N 1 0 348.447 3.003 20 5 EGBDRO CCCN(C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1)[C@H]1CC[N@H+](C)C1 ZINC000831421755 1292859240 /nfs/dbraw/zinc/85/92/40/1292859240.db2.gz PUROSCYCJXNMDX-LBPRGKRZSA-N 1 0 340.811 3.196 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ncn(C[N@@H+]3CCC[C@@H]3C3CCC3)n2)cc1 ZINC000102885696 1292984965 /nfs/dbraw/zinc/98/49/65/1292984965.db2.gz FSDAWCUHPLGVLJ-MRXNPFEDSA-N 1 0 327.388 3.075 20 5 EGBDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000124200661 1293469659 /nfs/dbraw/zinc/46/96/59/1293469659.db2.gz COSMFTAATLNLSO-PYUISTEWSA-N 1 0 345.443 3.092 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCSC3(CCCCC3)C2)c1 ZINC000137071193 1293825844 /nfs/dbraw/zinc/82/58/44/1293825844.db2.gz DTENTMGYIRTGCB-MRXNPFEDSA-N 1 0 336.457 3.380 20 5 EGBDRO C[NH+](C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)c1ccccc1 ZINC000152699820 1293980783 /nfs/dbraw/zinc/98/07/83/1293980783.db2.gz BCGNESUNBUTBBU-INIZCTEOSA-N 1 0 347.802 3.281 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+]CCN(C)C(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000158648596 1294210005 /nfs/dbraw/zinc/21/00/05/1294210005.db2.gz GADQVCUCNBQVBH-CYBMUJFWSA-N 1 0 337.420 3.421 20 5 EGBDRO O=[N+]([O-])c1ccc(OC2CCN(Cn3cccnc3=S)CC2)cc1 ZINC000173434736 1294462311 /nfs/dbraw/zinc/46/23/11/1294462311.db2.gz JEJZFCQPNJGBQL-UHFFFAOYSA-N 1 0 346.412 3.022 20 5 EGBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)CN1CCSC1=S ZINC000194016860 1295933472 /nfs/dbraw/zinc/93/34/72/1295933472.db2.gz KOLATTJQCRNDOF-UHFFFAOYSA-N 1 0 325.459 3.096 20 5 EGBDRO C[C@H](CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000249941101 1296454191 /nfs/dbraw/zinc/45/41/91/1296454191.db2.gz WBIYKCFFGMFSON-VXGBXAGGSA-N 1 0 339.823 3.098 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CCC(OC[C@H]2CCCO2)CC1 ZINC000255881800 1296575002 /nfs/dbraw/zinc/57/50/02/1296575002.db2.gz UHXXEDAVEBEWMC-VDNIUXDYSA-N 1 0 346.427 3.268 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)CO[C@H]1CCOC1 ZINC000872041270 1296689429 /nfs/dbraw/zinc/68/94/29/1296689429.db2.gz GUHCWDVJMXZPMK-OBJOEFQTSA-N 1 0 340.445 3.161 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1C[C@@H]2CCCCN2C1=O ZINC000872079177 1296720915 /nfs/dbraw/zinc/72/09/15/1296720915.db2.gz VXGRURXPCNJCPK-SLEUVZQESA-N 1 0 349.456 3.121 20 5 EGBDRO O=[N+]([O-])c1c(Br)cccc1NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000312415125 1297116516 /nfs/dbraw/zinc/11/65/16/1297116516.db2.gz QSLFPWUAWMKWFU-JTQLQIEISA-N 1 0 340.221 3.254 20 5 EGBDRO Cc1c(C[NH2+]Cc2ccc(N3CCOC3=O)cc2)cccc1[N+](=O)[O-] ZINC000873103267 1297272620 /nfs/dbraw/zinc/27/26/20/1297272620.db2.gz ZRFSBHULAWEEKL-UHFFFAOYSA-N 1 0 341.367 3.150 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H](c1ccnn1C)C(C)C ZINC000873113101 1297276592 /nfs/dbraw/zinc/27/65/92/1297276592.db2.gz PWOKMJGWDDETFV-OAHLLOKOSA-N 1 0 330.432 3.475 20 5 EGBDRO CC(C)(CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000874851601 1298129561 /nfs/dbraw/zinc/12/95/61/1298129561.db2.gz UTUNTIRLOYKQHT-UHFFFAOYSA-N 1 0 339.823 3.243 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C[C@H](O)c3ccco3)o2)c1 ZINC000747098674 1298726002 /nfs/dbraw/zinc/72/60/02/1298726002.db2.gz RLOIUEHFVBXQRV-HNNXBMFYSA-N 1 0 328.324 3.271 20 5 EGBDRO Cc1nn(C[N@@H+]2CC[C@@H](c3ccccc3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000749947815 1299308341 /nfs/dbraw/zinc/30/83/41/1299308341.db2.gz HSOBCFRMAGSWGR-OAHLLOKOSA-N 1 0 337.383 3.095 20 5 EGBDRO C[C@@]1([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CCCc2ccccc21 ZINC000750096419 1299337767 /nfs/dbraw/zinc/33/77/67/1299337767.db2.gz NXWKZJRRIXKJCA-RBUKOAKNSA-N 1 0 326.396 3.470 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000877517359 1299361684 /nfs/dbraw/zinc/36/16/84/1299361684.db2.gz LVMFAFVIYAVNNX-HNNXBMFYSA-N 1 0 346.349 3.491 20 5 EGBDRO COC(=O)c1cccc(C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)c1 ZINC000877522262 1299367015 /nfs/dbraw/zinc/36/70/15/1299367015.db2.gz MYCPAYKRXJNNNC-UHFFFAOYSA-N 1 0 328.368 3.288 20 5 EGBDRO O=C1N(C[NH+]2CCCCCCC2)CCN1c1ccccc1[N+](=O)[O-] ZINC000752785105 1299793290 /nfs/dbraw/zinc/79/32/90/1299793290.db2.gz FIBARVOZTYEUMD-UHFFFAOYSA-N 1 0 332.404 3.060 20 5 EGBDRO C[C@H]([N@H+](C)CN1CCN(c2ccccc2[N+](=O)[O-])C1=O)C(C)(C)C ZINC000752786615 1299794239 /nfs/dbraw/zinc/79/42/39/1299794239.db2.gz QCBSJQWTNPKQKK-ZDUSSCGKSA-N 1 0 334.420 3.161 20 5 EGBDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000753030815 1299849902 /nfs/dbraw/zinc/84/99/02/1299849902.db2.gz WTRNZXIYRIQKPL-VIFPVBQESA-N 1 0 348.230 3.360 20 5 EGBDRO C[C@H](Cc1cnccn1)[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000753946512 1300050564 /nfs/dbraw/zinc/05/05/64/1300050564.db2.gz IBNPNCJMBQLPMA-VKJFTORMSA-N 1 0 340.427 3.317 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(C[NH+](C)C)c(F)c1 ZINC000756839981 1300574164 /nfs/dbraw/zinc/57/41/64/1300574164.db2.gz IZNYXBLNEPGZDC-UHFFFAOYSA-N 1 0 347.346 3.056 20 5 EGBDRO COc1ccc2c(c1)CC[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])CC2 ZINC000760930332 1301365216 /nfs/dbraw/zinc/36/52/16/1301365216.db2.gz YXUOXYXXPSPIES-UHFFFAOYSA-N 1 0 330.359 3.343 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC000761058870 1301395984 /nfs/dbraw/zinc/39/59/84/1301395984.db2.gz USJDKAGTAWDVDM-NSHDSACASA-N 1 0 345.321 3.116 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCNC(=O)c1ccc(F)cc1 ZINC000765310087 1302244140 /nfs/dbraw/zinc/24/41/40/1302244140.db2.gz JYUIENVMMCYRFL-ZDUSSCGKSA-N 1 0 345.374 3.123 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2CCCOc3ccccc32)cc1 ZINC000765848935 1302338281 /nfs/dbraw/zinc/33/82/81/1302338281.db2.gz LHSWJRBFMGICLP-IAGOWNOFSA-N 1 0 328.368 3.132 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2COc3ccc(Cl)cc32)cc1 ZINC000765848170 1302338557 /nfs/dbraw/zinc/33/85/57/1302338557.db2.gz GSJSUZRATSHBSY-HUUCEWRRSA-N 1 0 334.759 3.005 20 5 EGBDRO CC[C@H]1Cc2ccccc2C[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000767881450 1302778422 /nfs/dbraw/zinc/77/84/22/1302778422.db2.gz GURJRETZUCMLSP-PKOBYXMFSA-N 1 0 326.396 3.465 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CCc3ccccc3F)CC2)cc1 ZINC000768663037 1302956408 /nfs/dbraw/zinc/95/64/08/1302956408.db2.gz HLSKGMPDJVJPPN-UHFFFAOYSA-N 1 0 329.375 3.099 20 5 EGBDRO Cc1[nH]c(C2CCN(c3nc4sccn4c3[N+](=O)[O-])CC2)[nH+]c1C ZINC000884708985 1302961379 /nfs/dbraw/zinc/96/13/79/1302961379.db2.gz RHCHAGZTDCYQOI-UHFFFAOYSA-N 1 0 346.416 3.028 20 5 EGBDRO C[C@@H]1CN(c2cc[nH+]cc2)CCN1c1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000884855512 1303000564 /nfs/dbraw/zinc/00/05/64/1303000564.db2.gz IRFBXPXLFGDRMA-CQSZACIVSA-N 1 0 349.394 3.253 20 5 EGBDRO C[C@H]1CN(c2cc[nH+]cc2)CCN1c1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000884855511 1303000961 /nfs/dbraw/zinc/00/09/61/1303000961.db2.gz IRFBXPXLFGDRMA-AWEZNQCLSA-N 1 0 349.394 3.253 20 5 EGBDRO C[C@H]1CC[N@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)CC12CCC2 ZINC000770672094 1303304807 /nfs/dbraw/zinc/30/48/07/1303304807.db2.gz XGLRRQZSNMPDGC-AWEZNQCLSA-N 1 0 341.415 3.323 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3CCOC4(CCC4)C3)CC2)cc1 ZINC000773082402 1303621524 /nfs/dbraw/zinc/62/15/24/1303621524.db2.gz VXDSHKYBIFXGFT-INIZCTEOSA-N 1 0 345.443 3.255 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC1CN(C(=O)OC(C)(C)C)C1 ZINC000773121383 1303628420 /nfs/dbraw/zinc/62/84/20/1303628420.db2.gz RXTYTDVXCTZABU-CYBMUJFWSA-N 1 0 349.431 3.421 20 5 EGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887133349 1303686193 /nfs/dbraw/zinc/68/61/93/1303686193.db2.gz ZGWAFUOUKVSTTM-GJZGRUSLSA-N 1 0 326.400 3.262 20 5 EGBDRO C[C@H](Cc1cccc(F)c1)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000775179214 1303920777 /nfs/dbraw/zinc/92/07/77/1303920777.db2.gz LRZPGUJMMROLNN-LLVKDONJSA-N 1 0 328.347 3.331 20 5 EGBDRO C[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000775927400 1304061596 /nfs/dbraw/zinc/06/15/96/1304061596.db2.gz NJEWHYRHWDNMSZ-INIZCTEOSA-N 1 0 349.431 3.330 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)c1C ZINC000888185544 1304063442 /nfs/dbraw/zinc/06/34/42/1304063442.db2.gz OIRNTNICQXRKFY-UONOGXRCSA-N 1 0 333.432 3.204 20 5 EGBDRO COC(=O)[C@H]1CCCC[C@]1(C)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000775993257 1304075488 /nfs/dbraw/zinc/07/54/88/1304075488.db2.gz RXWGCCTVRGEAOK-CJNGLKHVSA-N 1 0 340.807 3.460 20 5 EGBDRO C[N@H+](CCCOc1ccc(F)cc1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776274523 1304125583 /nfs/dbraw/zinc/12/55/83/1304125583.db2.gz DTUVZIXUKWXUDV-SFHVURJKSA-N 1 0 348.374 3.168 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]Cc2cc3c(s2)CCCC3)cc1 ZINC000776277392 1304126358 /nfs/dbraw/zinc/12/63/58/1304126358.db2.gz OGNXWAVVSPSQFV-INIZCTEOSA-N 1 0 332.425 3.358 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@H+](Cc2ccc(F)cc2)C2CC2)cc1 ZINC000776280409 1304127383 /nfs/dbraw/zinc/12/73/83/1304127383.db2.gz ZHPNWFWRDHDBDC-GOSISDBHSA-N 1 0 330.359 3.432 20 5 EGBDRO COc1ccc(C[N@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1C ZINC000776581577 1304175563 /nfs/dbraw/zinc/17/55/63/1304175563.db2.gz KJXBUNQBIWYJBE-KRWDZBQOSA-N 1 0 330.384 3.077 20 5 EGBDRO CO[C@@H](C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)C(F)(F)F ZINC000777013800 1304232826 /nfs/dbraw/zinc/23/28/26/1304232826.db2.gz XJYICZLPLKQYPC-OCCSQVGLSA-N 1 0 332.322 3.083 20 5 EGBDRO CO[C@H](C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000777013400 1304232910 /nfs/dbraw/zinc/23/29/10/1304232910.db2.gz VIRKZFIFXRRCSA-CORIIIEPSA-N 1 0 346.349 3.473 20 5 EGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000777729149 1304340587 /nfs/dbraw/zinc/34/05/87/1304340587.db2.gz FWYFPZAHGHNJNG-ACJLOTCBSA-N 1 0 330.359 3.388 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)ON=C(N)C[N@@H+]1CCCC[C@@H]1C ZINC000778593465 1304471770 /nfs/dbraw/zinc/47/17/70/1304471770.db2.gz ZWAWBQJABKHFDI-KBPBESRZSA-N 1 0 334.420 3.337 20 5 EGBDRO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000780385825 1304684136 /nfs/dbraw/zinc/68/41/36/1304684136.db2.gz SNVNQLASPRNEFD-MPKXVKKWSA-N 1 0 332.322 3.291 20 5 EGBDRO COc1c(O)ccc(CN[C@H](C)c2c(F)cccc2F)c1[N+](=O)[O-] ZINC000892629848 1305479390 /nfs/dbraw/zinc/47/93/90/1305479390.db2.gz ACXZSENZKWPAFD-SECBINFHSA-N 1 0 338.310 3.438 20 5 EGBDRO COc1cc(CC[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])ccc1O ZINC000892969157 1305630914 /nfs/dbraw/zinc/63/09/14/1305630914.db2.gz QTOSCOWIJPMUOA-UHFFFAOYSA-N 1 0 336.775 3.295 20 5 EGBDRO CC1(C)CC[N@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)CCS1 ZINC000788376618 1305931150 /nfs/dbraw/zinc/93/11/50/1305931150.db2.gz ACYUGKQHQDWTSC-UHFFFAOYSA-N 1 0 347.444 3.028 20 5 EGBDRO COc1ccc(C)cc1CC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788505002 1305959092 /nfs/dbraw/zinc/95/90/92/1305959092.db2.gz IKYDQWQGSYZBCY-CYBMUJFWSA-N 1 0 329.400 3.387 20 5 EGBDRO C[C@H](Cc1cnccn1)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000788575577 1305973537 /nfs/dbraw/zinc/97/35/37/1305973537.db2.gz BHZNBJMVYHKHSY-PXAZEXFGSA-N 1 0 326.400 3.328 20 5 EGBDRO C[C@H]([NH2+][C@H]1CCc2ccccc2OC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788821471 1306021894 /nfs/dbraw/zinc/02/18/94/1306021894.db2.gz FZNAWXRLVCZFTQ-WFASDCNBSA-N 1 0 327.384 3.221 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC([C@H](O)c2ncc[nH]2)CC1 ZINC000790080064 1306258806 /nfs/dbraw/zinc/25/88/06/1306258806.db2.gz OJBNDQMTGPCSOY-GUYCJALGSA-N 1 0 344.415 3.133 20 5 EGBDRO COc1cc(NC[C@H]2[N@H+](C)CCCC2(C)C)c([N+](=O)[O-])cc1OC ZINC000790285012 1306290470 /nfs/dbraw/zinc/29/04/70/1306290470.db2.gz MGCXVBCPEHBBKP-MRXNPFEDSA-N 1 0 337.420 3.144 20 5 EGBDRO CC[N@@H+]1CCC[C@@H]1CNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811471476 1318180954 /nfs/dbraw/zinc/18/09/54/1318180954.db2.gz COZCXILBTCYNMJ-GFCCVEGCSA-N 1 0 332.231 3.476 20 5 EGBDRO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000794620147 1309555933 /nfs/dbraw/zinc/55/59/33/1309555933.db2.gz IGQIFTDSJZEHEG-CYBMUJFWSA-N 1 0 331.372 3.115 20 5 EGBDRO Cc1[nH+]cc2n1C[C@@H](c1nc(-c3ccc([N+](=O)[O-])cc3C)no1)CC2 ZINC000896088755 1309695412 /nfs/dbraw/zinc/69/54/12/1309695412.db2.gz VNYJWTGSGLIWIM-LBPRGKRZSA-N 1 0 339.355 3.188 20 5 EGBDRO CC(C)([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccccc1[N+](=O)[O-] ZINC000795220040 1309699816 /nfs/dbraw/zinc/69/98/16/1309699816.db2.gz OMSFXJYANQYCGY-UHFFFAOYSA-N 1 0 345.355 3.407 20 5 EGBDRO Cc1[nH+]cc2n1C[C@@H](c1nc(-c3cccc([N+](=O)[O-])c3C)no1)CC2 ZINC000896388906 1309834322 /nfs/dbraw/zinc/83/43/22/1309834322.db2.gz MXQYDAXBWDCKMO-LBPRGKRZSA-N 1 0 339.355 3.188 20 5 EGBDRO Cc1cc(NCc2cc(C3CC3)n(C)n2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000896528909 1309903308 /nfs/dbraw/zinc/90/33/08/1309903308.db2.gz UFWBKIICKWPCAV-UHFFFAOYSA-N 1 0 337.383 3.096 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CCCCC3CCOCC3)CC2)cc1 ZINC000799106900 1310486760 /nfs/dbraw/zinc/48/67/60/1310486760.db2.gz HRFFIEWEOWPMKS-UHFFFAOYSA-N 1 0 347.459 3.314 20 5 EGBDRO C[N@H+](CCCNC(=O)OC(C)(C)C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801517634 1310952455 /nfs/dbraw/zinc/95/24/55/1310952455.db2.gz JKLVZWZTLCVGMO-UHFFFAOYSA-N 1 0 341.383 3.081 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1-c1noc([C@@H]2C[C@H]2C2CC[NH2+]CC2)n1 ZINC000822807902 1320125479 /nfs/dbraw/zinc/12/54/79/1320125479.db2.gz KFYJLOATMVKLNX-LSDHHAIUSA-N 1 0 328.372 3.056 20 5 EGBDRO COC(=O)c1cncc(CN(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1 ZINC000929338041 1328573010 /nfs/dbraw/zinc/57/30/10/1328573010.db2.gz OKHGKYLVPSLIIW-UHFFFAOYSA-N 1 0 343.383 3.187 20 5 EGBDRO O=[N+]([O-])c1cccc([N+](=O)[O-])c1NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000804324489 1317218388 /nfs/dbraw/zinc/21/83/88/1317218388.db2.gz HDHARKYDGJQOHF-CQSZACIVSA-N 1 0 346.343 3.345 20 5 EGBDRO CS[C@@H]1CN(c2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000804623005 1317267728 /nfs/dbraw/zinc/26/77/28/1317267728.db2.gz PSVWFWGQHUDFCK-LSDHHAIUSA-N 1 0 341.864 3.264 20 5 EGBDRO CCOC1CC([N@H+](C)Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000805820248 1317426836 /nfs/dbraw/zinc/42/68/36/1317426836.db2.gz IRRPRXFFCVMVBI-UHFFFAOYSA-N 1 0 343.221 3.357 20 5 EGBDRO Cc1csc(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC001020131628 1317555291 /nfs/dbraw/zinc/55/52/91/1317555291.db2.gz QZVLBQHSMYCZBC-HDJSIYSDSA-N 1 0 345.424 3.015 20 5 EGBDRO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])C1(NC(=O)OC(C)(C)C)CC1 ZINC000903112169 1317655878 /nfs/dbraw/zinc/65/58/78/1317655878.db2.gz FOWDAMSLRLIYEW-GFCCVEGCSA-N 1 0 335.404 3.130 20 5 EGBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)C1(NC(=O)OC(C)(C)C)CC1 ZINC000903130842 1317660181 /nfs/dbraw/zinc/66/01/81/1317660181.db2.gz OVDNDDMNEIHTGL-ZDUSSCGKSA-N 1 0 349.431 3.173 20 5 EGBDRO C[C@H](CC(=O)N1CCCCCC1)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000903287464 1317683373 /nfs/dbraw/zinc/68/33/73/1317683373.db2.gz PGZZKZMQIJKDCW-HUUCEWRRSA-N 1 0 333.432 3.427 20 5 EGBDRO [NH3+]CC[C@@H]1CCCCN1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000903750353 1317729812 /nfs/dbraw/zinc/72/98/12/1317729812.db2.gz YQHSYJRFPOJWTJ-NSHDSACASA-N 1 0 342.237 3.061 20 5 EGBDRO C[NH+](C)CCN(CCc1ccccc1)Cc1cccc([N+](=O)[O-])c1 ZINC000809731224 1317881603 /nfs/dbraw/zinc/88/16/03/1317881603.db2.gz REMLTFRESMUONS-UHFFFAOYSA-N 1 0 327.428 3.201 20 5 EGBDRO CCC1([NH3+])CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1 ZINC000905669922 1317979687 /nfs/dbraw/zinc/97/96/87/1317979687.db2.gz DVLAMSRPMLGCLV-UHFFFAOYSA-N 1 0 326.400 3.365 20 5 EGBDRO Cc1ccccc1CNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000905853620 1318007841 /nfs/dbraw/zinc/00/78/41/1318007841.db2.gz UEKXRBLMJGSWHV-HUUCEWRRSA-N 1 0 341.411 3.259 20 5 EGBDRO C[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)NCCc1cccs1 ZINC000905854423 1318007858 /nfs/dbraw/zinc/00/78/58/1318007858.db2.gz WJHVWXWFBWDAFJ-CHWSQXEVSA-N 1 0 347.440 3.054 20 5 EGBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNCCC[NH+]1CCCC1 ZINC000811486630 1318184069 /nfs/dbraw/zinc/18/40/69/1318184069.db2.gz LRXNTFIPHGZKRR-UHFFFAOYSA-N 1 0 332.231 3.477 20 5 EGBDRO CCC[N@@H+]1CCC[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2OCC)C1 ZINC000908278336 1318323208 /nfs/dbraw/zinc/32/32/08/1318323208.db2.gz GIOUGLDRDFOZID-CYBMUJFWSA-N 1 0 335.404 3.054 20 5 EGBDRO O=C(C=C1CCCCC1)N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001021880116 1318717402 /nfs/dbraw/zinc/71/74/02/1318717402.db2.gz IMZWNJHMCQAABG-CALCHBBNSA-N 1 0 343.427 3.222 20 5 EGBDRO O=[N+]([O-])c1cccc(Cl)c1NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000814359657 1318729185 /nfs/dbraw/zinc/72/91/85/1318729185.db2.gz MHICYJRJGNKRIV-ZDUSSCGKSA-N 1 0 339.823 3.304 20 5 EGBDRO Cc1cc(C(=O)N2CCCC[C@@H]2[C@@H](C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000912815526 1318940933 /nfs/dbraw/zinc/94/09/33/1318940933.db2.gz NBKPNJBVQYIPAW-GOEBONIOSA-N 1 0 333.432 3.096 20 5 EGBDRO C[C@@H]([NH2+]C[C@@H](c1cccc(F)c1)N(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815553378 1319014690 /nfs/dbraw/zinc/01/46/90/1319014690.db2.gz YKMPSRJADUKRPD-XIKOKIGWSA-N 1 0 346.406 3.270 20 5 EGBDRO C[C@@H]([NH2+]C[C@]1(O)CCCc2ccccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815578449 1319019045 /nfs/dbraw/zinc/01/90/45/1319019045.db2.gz OGLADEWHKXSODV-BFUOFWGJSA-N 1 0 341.411 3.052 20 5 EGBDRO C[C@@H]([NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccc(NC(N)=O)cc1 ZINC000815579434 1319019260 /nfs/dbraw/zinc/01/92/60/1319019260.db2.gz MXBQEEYBGYKIOD-GHMZBOCLSA-N 1 0 343.387 3.079 20 5 EGBDRO C[C@H]([NH2+]C[C@@H]1OCCc2ccccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815592479 1319024205 /nfs/dbraw/zinc/02/42/05/1319024205.db2.gz JHMMUWCSQJTWQI-SGTLLEGYSA-N 1 0 327.384 3.142 20 5 EGBDRO C[C@H](CN(C)Cc1ccccc1)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815600696 1319025948 /nfs/dbraw/zinc/02/59/48/1319025948.db2.gz CBZJPKLDZVCPBV-HUUCEWRRSA-N 1 0 342.443 3.348 20 5 EGBDRO O=[N+]([O-])c1ccc(Nc2ccc(N3CCCCC3)nc2)c2nonc21 ZINC000914862891 1319389825 /nfs/dbraw/zinc/38/98/25/1319389825.db2.gz VWNGWFPLSKOFQO-UHFFFAOYSA-N 1 0 340.343 3.260 20 5 EGBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000930317925 1328832348 /nfs/dbraw/zinc/83/23/48/1328832348.db2.gz YEOMLZRHYFQARI-HNNXBMFYSA-N 1 0 348.447 3.407 20 5 EGBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)CC[C@H]([NH3+])c1ccccc1)CC2 ZINC000818609092 1319569169 /nfs/dbraw/zinc/56/91/69/1319569169.db2.gz QBDFMQFSBGFQAR-INIZCTEOSA-N 1 0 339.395 3.273 20 5 EGBDRO Cc1ccccc1C1(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000819002997 1319611096 /nfs/dbraw/zinc/61/10/96/1319611096.db2.gz QMNWSHDHQNRVSQ-SFHVURJKSA-N 1 0 326.396 3.258 20 5 EGBDRO CCC(CC)[C@H](CNC[C@@H](O)c1cccc([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000819059138 1319623968 /nfs/dbraw/zinc/62/39/68/1319623968.db2.gz BLCXYYRQYYRPJX-RBUKOAKNSA-N 1 0 349.475 3.118 20 5 EGBDRO CC(C)(C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000819083119 1319630651 /nfs/dbraw/zinc/63/06/51/1319630651.db2.gz ZYDSHSVIFYWLOY-GOSISDBHSA-N 1 0 328.412 3.487 20 5 EGBDRO Cc1cc(C)cc(C[C@@H](C)[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000819110624 1319638675 /nfs/dbraw/zinc/63/86/75/1319638675.db2.gz FSENINYMRWKCML-BEFAXECRSA-N 1 0 328.412 3.466 20 5 EGBDRO CC(C)[C@@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1cccnc1 ZINC000819139355 1319645635 /nfs/dbraw/zinc/64/56/35/1319645635.db2.gz CTWWEVPBVNQXDK-QZTJIDSGSA-N 1 0 329.400 3.053 20 5 EGBDRO COc1ccc(C[C@H](C)C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000819192345 1319663038 /nfs/dbraw/zinc/66/30/38/1319663038.db2.gz XNKJTFWTXLCSBD-IFXJQAMLSA-N 1 0 344.411 3.105 20 5 EGBDRO CCOc1ccc([C@@H]2C[C@H]2[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000819282019 1319688124 /nfs/dbraw/zinc/68/81/24/1319688124.db2.gz RNQWVYFQWLAUJB-OTWHNJEPSA-N 1 0 342.395 3.173 20 5 EGBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNc2nc3ccccn3c2[N+](=O)[O-])C1 ZINC000917074518 1319749469 /nfs/dbraw/zinc/74/94/69/1319749469.db2.gz WHYRZXPPYOGNAO-ZIAGYGMSSA-N 1 0 331.420 3.022 20 5 EGBDRO COc1cccc(C[NH+]2CCC(Nc3cccnc3[N+](=O)[O-])CC2)c1 ZINC000917090811 1319754544 /nfs/dbraw/zinc/75/45/44/1319754544.db2.gz QQOSNZWMJIVWCG-UHFFFAOYSA-N 1 0 342.399 3.075 20 5 EGBDRO CCO[C@@H]1CCC[C@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000825284648 1320324023 /nfs/dbraw/zinc/32/40/23/1320324023.db2.gz WAAWDQAFFQTCSV-QZTJIDSGSA-N 1 0 333.432 3.111 20 5 EGBDRO C[C@H](CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](C)C1 ZINC000825460588 1320340729 /nfs/dbraw/zinc/34/07/29/1320340729.db2.gz BKTAYPQALIHVJG-NWDGAFQWSA-N 1 0 339.823 3.098 20 5 EGBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000839095851 1320869421 /nfs/dbraw/zinc/86/94/21/1320869421.db2.gz PWFQMFLLSASVRT-NSHDSACASA-N 1 0 340.811 3.102 20 5 EGBDRO C[C@@H](C[N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1)C(=O)OC(C)(C)C ZINC000839200747 1320893364 /nfs/dbraw/zinc/89/33/64/1320893364.db2.gz ZROHBMCAERBSGM-NSHDSACASA-N 1 0 326.368 3.144 20 5 EGBDRO Cc1cc(Cl)c(C(=O)NCCCC[N@@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000839439492 1320920551 /nfs/dbraw/zinc/92/05/51/1320920551.db2.gz OUQIIMVXBNQPHG-UHFFFAOYSA-N 1 0 339.823 3.161 20 5 EGBDRO Cc1nn(C[N@@H+]2CCC[C@@]3(CCSC3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000840146622 1321038216 /nfs/dbraw/zinc/03/82/16/1321038216.db2.gz ZAJUEKXTYBLLOR-QGZVFWFLSA-N 1 0 346.456 3.430 20 5 EGBDRO COc1cc(OCC[NH+](C)C)ccc1NCc1ccccc1[N+](=O)[O-] ZINC000840958638 1321186665 /nfs/dbraw/zinc/18/66/65/1321186665.db2.gz NERONFVQGYFQAO-UHFFFAOYSA-N 1 0 345.399 3.156 20 5 EGBDRO [NH3+]C[C@H]1CC[C@H](CNC(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000841102349 1321219094 /nfs/dbraw/zinc/21/90/94/1321219094.db2.gz ACUFIIKVAURAAO-XYPYZODXSA-N 1 0 340.811 3.135 20 5 EGBDRO C[NH2+]C[C@@H](C)c1noc([C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000842580111 1321403130 /nfs/dbraw/zinc/40/31/30/1321403130.db2.gz GQZOAKAMNHXTCG-BDAKNGLRSA-N 1 0 340.767 3.094 20 5 EGBDRO C[NH2+]C[C@H](C)c1noc([C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000842580113 1321403214 /nfs/dbraw/zinc/40/32/14/1321403214.db2.gz GQZOAKAMNHXTCG-DTWKUNHWSA-N 1 0 340.767 3.094 20 5 EGBDRO Cc1nn(C[N@@H+]2CCC[C@H]2[C@H]2CCCOC2)c2ccc([N+](=O)[O-])cc12 ZINC000842617009 1321407471 /nfs/dbraw/zinc/40/74/71/1321407471.db2.gz PJCUEJAFIIFTJX-YOEHRIQHSA-N 1 0 344.415 3.101 20 5 EGBDRO CC(C)O[C@@H]1CCCN(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000844716575 1321639378 /nfs/dbraw/zinc/63/93/78/1321639378.db2.gz KHYPTGOJCYMOOK-GOSISDBHSA-N 1 0 344.415 3.305 20 5 EGBDRO CC(C)Oc1cc(C(=O)O[C@@H](C)C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000845661826 1321730377 /nfs/dbraw/zinc/73/03/77/1321730377.db2.gz XOCPTUNPEFTDNR-ZDUSSCGKSA-N 1 0 336.388 3.023 20 5 EGBDRO CC(C)OC(=O)C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)C(C)C ZINC000847072651 1321838476 /nfs/dbraw/zinc/83/84/76/1321838476.db2.gz BPQFSIAOOHEGRZ-CQSZACIVSA-N 1 0 326.368 3.190 20 5 EGBDRO C[NH+](C)CC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1Cl)C(C)(C)C ZINC000859433543 1328986444 /nfs/dbraw/zinc/98/64/44/1328986444.db2.gz JESVWXRRNIJITC-CYBMUJFWSA-N 1 0 341.839 3.344 20 5 EGBDRO C[C@@H](C(=O)OC[C@H](C)[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000847963795 1321917563 /nfs/dbraw/zinc/91/75/63/1321917563.db2.gz SVCPFYXFYIRWAJ-QWHCGFSZSA-N 1 0 338.379 3.255 20 5 EGBDRO CSC[C@@H]1CCC[N@H+](Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)C1 ZINC000848491135 1321964476 /nfs/dbraw/zinc/96/44/76/1321964476.db2.gz SMWDUYAAJGFUMG-CQSZACIVSA-N 1 0 346.456 3.491 20 5 EGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@H](O)c1c(F)cccc1F ZINC000848532504 1321971288 /nfs/dbraw/zinc/97/12/88/1321971288.db2.gz AWWBFCOKFDRCID-GOEBONIOSA-N 1 0 334.322 3.184 20 5 EGBDRO C[NH+](C)C1(CNC(=O)c2cc([N+](=O)[O-])ccc2F)CCCCCC1 ZINC000919685382 1322093878 /nfs/dbraw/zinc/09/38/78/1322093878.db2.gz OXGHDRUXLXCFMQ-UHFFFAOYSA-N 1 0 337.395 3.118 20 5 EGBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CC2SCCS2)c1 ZINC000850401728 1322239145 /nfs/dbraw/zinc/23/91/45/1322239145.db2.gz PFQLDKYCRRVEIE-UHFFFAOYSA-N 1 0 336.385 3.092 20 5 EGBDRO COc1ccc(C[NH2+]Cc2ccc3c(c2)C[C@@H](C)O3)cc1[N+](=O)[O-] ZINC000921612044 1322363591 /nfs/dbraw/zinc/36/35/91/1322363591.db2.gz MRTVWLPAPGMGJA-GFCCVEGCSA-N 1 0 328.368 3.217 20 5 EGBDRO Cc1c(C[N@@H+]2CCC[C@@](O)(c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000859584500 1329026465 /nfs/dbraw/zinc/02/64/65/1329026465.db2.gz UKIHCEUKCCUDOS-IBGZPJMESA-N 1 0 326.396 3.387 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccc(Cl)nc2)cc1[N+](=O)[O-] ZINC000851906426 1323112149 /nfs/dbraw/zinc/11/21/49/1323112149.db2.gz NSBUWRWUYTZGFP-LLVKDONJSA-N 1 0 348.790 3.241 20 5 EGBDRO CC1(C)OC[C@@H](CC[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)O1 ZINC000852136347 1323153338 /nfs/dbraw/zinc/15/33/38/1323153338.db2.gz WVSUZYUGGUDOLI-DOTOQJQBSA-N 1 0 334.416 3.316 20 5 EGBDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000931297314 1329088589 /nfs/dbraw/zinc/08/85/89/1329088589.db2.gz HVTAKACJCAZCDB-SNVBAGLBSA-N 1 0 340.811 3.243 20 5 EGBDRO CN(Cc1cc([N+](=O)[O-])ccc1Br)[C@@H]1CCCC[C@H]1O ZINC000931381764 1329108154 /nfs/dbraw/zinc/10/81/54/1329108154.db2.gz DKHJNYNJSFYAOC-ZIAGYGMSSA-N 1 0 343.221 3.093 20 5 EGBDRO CC(C)(C)[C@@H]1CC[N@H+](Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)C1 ZINC000853505738 1325107314 /nfs/dbraw/zinc/10/73/14/1325107314.db2.gz ANCVWRMJAYDJGA-CYBMUJFWSA-N 1 0 329.404 3.179 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1-c1noc(-c2cc3c(s2)CC[NH2+]C3)n1 ZINC000854138991 1325217188 /nfs/dbraw/zinc/21/71/88/1325217188.db2.gz BFTGMXSWQLWQFQ-UHFFFAOYSA-N 1 0 342.380 3.327 20 5 EGBDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000855902618 1325427137 /nfs/dbraw/zinc/42/71/37/1325427137.db2.gz IWPNPTCXOCTBKN-GFCCVEGCSA-N 1 0 339.823 3.098 20 5 EGBDRO C[NH+](C)[C@@H]1CCCN(c2cccc(Br)c2[N+](=O)[O-])CC1 ZINC000856745254 1325518762 /nfs/dbraw/zinc/51/87/62/1325518762.db2.gz ANNBKAPNGSCNLD-LLVKDONJSA-N 1 0 342.237 3.278 20 5 EGBDRO C[NH+](C)[C@H]1CCCN(c2cccc(Br)c2[N+](=O)[O-])CC1 ZINC000856745255 1325518921 /nfs/dbraw/zinc/51/89/21/1325518921.db2.gz ANNBKAPNGSCNLD-NSHDSACASA-N 1 0 342.237 3.278 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CC1CC3(C1)OCCO3)CCCC2 ZINC000927001452 1327813434 /nfs/dbraw/zinc/81/34/34/1327813434.db2.gz VERITBSONPIRAQ-KRWDZBQOSA-N 1 0 332.400 3.105 20 5 EGBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](CC(C)C)[NH+](C)C ZINC000932692639 1329833823 /nfs/dbraw/zinc/83/38/23/1329833823.db2.gz ZWEBQNCYPFCRSR-CYBMUJFWSA-N 1 0 339.461 3.023 20 5 EGBDRO COc1ccc(C[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])cc1OC ZINC000866214129 1330079270 /nfs/dbraw/zinc/07/92/70/1330079270.db2.gz JUKCMSZPXSFISA-GFCCVEGCSA-N 1 0 348.374 3.472 20 5 EGBDRO Cc1ccc([C@H](O)C[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])cc1 ZINC000866238929 1330083372 /nfs/dbraw/zinc/08/33/72/1330083372.db2.gz RVSMSNNQISZJAJ-SCLBCKFNSA-N 1 0 332.375 3.297 20 5 EGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@](C)(O)c1ccccc1 ZINC000866266516 1330087713 /nfs/dbraw/zinc/08/77/13/1330087713.db2.gz ISCAAYLVFWVGST-FZKQIMNGSA-N 1 0 332.375 3.162 20 5 EGBDRO CC(C)c1nnc([C@@H](C)[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])[nH]1 ZINC000866312591 1330094818 /nfs/dbraw/zinc/09/48/18/1330094818.db2.gz OTRGMWXOBDCWPJ-GHMZBOCLSA-N 1 0 335.383 3.257 20 5 EGBDRO CN(C(=O)C1(C)CCC1)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001005834176 1336406498 /nfs/dbraw/zinc/40/64/98/1336406498.db2.gz SAFFLJGDQVVNBT-UHFFFAOYSA-N 1 0 345.443 3.208 20 5 EGBDRO C/C=C(/C)C(=O)N1CCC(C[N@H+](C)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001029953606 1341133366 /nfs/dbraw/zinc/13/33/66/1341133366.db2.gz DIYLDQHXZVUKSM-TVPGTPATSA-N 1 0 345.443 3.231 20 5 EGBDRO CC(C)(C)C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001034782747 1342758176 /nfs/dbraw/zinc/75/81/76/1342758176.db2.gz QXDYLENNKHINHC-SHTZXODSSA-N 1 0 333.432 3.158 20 5 EGBDRO Cc1cc(Br)c(O[C@@H]2CC[C@@H](C)[NH2+]C2)cc1[N+](=O)[O-] ZINC001218403961 1373607738 /nfs/dbraw/zinc/60/77/38/1373607738.db2.gz YNRSQRDNQNXHRH-NXEZZACHSA-N 1 0 329.194 3.185 20 5 EGBDRO CCC(CC)C(=O)N1CC2(C1)CC[N@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC001072491227 1355310336 /nfs/dbraw/zinc/31/03/36/1355310336.db2.gz MSSXCAWTMWVKBS-UHFFFAOYSA-N 1 0 345.443 3.065 20 5 EGBDRO CCc1ccc(-c2nc([C@H]3C[NH+]4CCC3CC4)no2)cc1[N+](=O)[O-] ZINC001325467558 1387984489 /nfs/dbraw/zinc/98/44/89/1387984489.db2.gz COUVHIOOEJQZCB-AWEZNQCLSA-N 1 0 328.372 3.016 20 5 EGBDRO CC(C)CCC(=O)N1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001199264434 1369199580 /nfs/dbraw/zinc/19/95/80/1369199580.db2.gz BTKZYQZEIQHRCM-UHFFFAOYSA-N 1 0 333.432 3.112 20 5 EGBDRO CCCCCC(=O)N1CCC([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC001199334591 1369209305 /nfs/dbraw/zinc/20/93/05/1369209305.db2.gz FKLUKUZEVPCHCK-UHFFFAOYSA-N 1 0 339.461 3.317 20 5 EGBDRO CC1(CCC(=O)N2CCC([NH2+]Cc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001203182545 1370014384 /nfs/dbraw/zinc/01/43/84/1370014384.db2.gz ZOWLYCBWIQUFOM-UHFFFAOYSA-N 1 0 345.443 3.256 20 5 EGBDRO F[C@@H]1C[NH2+]CC[C@H]1c1nc(-c2ccc3ccc4cccnc4c3n2)no1 ZINC001205220493 1370685273 /nfs/dbraw/zinc/68/52/73/1370685273.db2.gz XWMAOZUWNKPHNF-ZIAGYGMSSA-N 1 0 349.369 3.248 20 5 EGBDRO CCC[C@@H]([NH2+]Cc1c(C)c(C)n[nH]c1=O)c1cccc([N+](=O)[O-])c1 ZINC001116467243 1370918358 /nfs/dbraw/zinc/91/83/58/1370918358.db2.gz WXZZBHXADMSTLS-MRXNPFEDSA-N 1 0 330.388 3.338 20 5 EGBDRO C[NH+]1CCN(Cc2ccc(Nc3ccccc3[N+](=O)[O-])cc2)CC1 ZINC001206164753 1370977579 /nfs/dbraw/zinc/97/75/79/1370977579.db2.gz PUCPBOVZAPHNLN-UHFFFAOYSA-N 1 0 326.400 3.086 20 5 EGBDRO CCC(=CC(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-])CC ZINC001121253557 1371909109 /nfs/dbraw/zinc/90/91/09/1371909109.db2.gz XNOUSGYQEHHLLM-UHFFFAOYSA-N 1 0 346.431 3.032 20 5 EGBDRO C[NH+]1CCN(Cc2ccc(Nc3cccc([N+](=O)[O-])c3F)cc2)CC1 ZINC001210380272 1372338516 /nfs/dbraw/zinc/33/85/16/1372338516.db2.gz RIVFZJKZJJDJMO-UHFFFAOYSA-N 1 0 344.390 3.225 20 5 EGBDRO Cc1c(Cl)cccc1C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001127876073 1373193820 /nfs/dbraw/zinc/19/38/20/1373193820.db2.gz RZUIHEIZDGJRMC-UHFFFAOYSA-N 1 0 347.802 3.076 20 5 EGBDRO C[NH+]1CCN(c2cccc(Nc3cc(F)cc([N+](=O)[O-])c3)c2)CC1 ZINC001216483978 1373310269 /nfs/dbraw/zinc/31/02/69/1373310269.db2.gz XEYIGWUZKIKART-UHFFFAOYSA-N 1 0 330.363 3.229 20 5 EGBDRO O=[N+]([O-])c1cc([N+](=O)[O-])c(O[C@@H]2CCCC[NH2+]C2)c2ccccc21 ZINC001217971452 1373521472 /nfs/dbraw/zinc/52/14/72/1373521472.db2.gz URDNLTLZWXINCG-LLVKDONJSA-N 1 0 331.328 3.177 20 5 EGBDRO O=[N+]([O-])c1cc(O[C@H]2CCCC[NH2+]C2)c(F)cc1Br ZINC001217970001 1373522045 /nfs/dbraw/zinc/52/20/45/1373522045.db2.gz GQEOPOFIPOVBRY-QMMMGPOBSA-N 1 0 333.157 3.017 20 5 EGBDRO Cc1cc(O[C@@H]2C[NH2+]CCC[C@@H]2F)c([N+](=O)[O-])cc1Br ZINC001217981592 1373524966 /nfs/dbraw/zinc/52/49/66/1373524966.db2.gz QXNLREHRONXDRZ-GXFFZTMASA-N 1 0 347.184 3.135 20 5 EGBDRO C[C@H]1C[NH2+]CCC[C@H]1Oc1cc([N+](=O)[O-])ccc1Br ZINC001217984132 1373526505 /nfs/dbraw/zinc/52/65/05/1373526505.db2.gz DWWDKANAZDFCJD-JOYOIKCWSA-N 1 0 329.194 3.124 20 5 EGBDRO C[C@@H]1C[NH2+]CCC[C@@H]1Oc1cc([N+](=O)[O-])c(Br)cc1F ZINC001217988828 1373528314 /nfs/dbraw/zinc/52/83/14/1373528314.db2.gz LOSORGUTYJHIHT-PELKAZGASA-N 1 0 347.184 3.263 20 5 EGBDRO Cc1cc(Br)cc([N+](=O)[O-])c1O[C@@H]1CCC[NH2+]C[C@H]1C ZINC001217990629 1373528575 /nfs/dbraw/zinc/52/85/75/1373528575.db2.gz JDDOSUHYEQCSNZ-ZWNOBZJWSA-N 1 0 343.221 3.433 20 5 EGBDRO C[C@@H](Oc1c(Br)cc(F)cc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC001218010527 1373535875 /nfs/dbraw/zinc/53/58/75/1373535875.db2.gz WHPAITIQDXXQMO-MRVPVSSYSA-N 1 0 347.184 3.263 20 5 EGBDRO C[C@@H]1CC[NH2+]CC[C@@H]1Oc1ccc([N+](=O)[O-])c(Br)c1 ZINC001218029428 1373542542 /nfs/dbraw/zinc/54/25/42/1373542542.db2.gz LBZNZFFGIKLVSO-RNCFNFMXSA-N 1 0 329.194 3.124 20 5 EGBDRO C[C@H]1CC[NH2+]CC[C@@H]1Oc1cc(N2CCCCC2)ccc1[N+](=O)[O-] ZINC001218032430 1373544155 /nfs/dbraw/zinc/54/41/55/1373544155.db2.gz ZPJMZWZQLOFFJT-YOEHRIQHSA-N 1 0 333.432 3.352 20 5 EGBDRO Cc1cc(C)c2ccc3cccc(O[C@H]4C[C@H]5C[NH2+]CCN5C4)c3c2n1 ZINC001218078870 1373555536 /nfs/dbraw/zinc/55/55/36/1373555536.db2.gz DIOMFLTXJIOCQZ-ROUUACIJSA-N 1 0 347.462 3.430 20 5 EGBDRO O=[N+]([O-])c1c(Br)cccc1O[C@@H]1CCC[C@@]12CC[NH2+]C2 ZINC001218089920 1373557801 /nfs/dbraw/zinc/55/78/01/1373557801.db2.gz HEMFGWQTFIOYNK-OCCSQVGLSA-N 1 0 341.205 3.268 20 5 EGBDRO O=[N+]([O-])c1cc(OC(F)(F)F)ccc1O[C@@H]1CC[C@@]12CC[NH2+]C2 ZINC001218121324 1373565016 /nfs/dbraw/zinc/56/50/16/1373565016.db2.gz XYGOQDQOCFYZIJ-OLZOCXBDSA-N 1 0 332.278 3.014 20 5 EGBDRO O=[N+]([O-])c1ccc(OC2CC3(C2)CCC[NH2+]C3)cc1Br ZINC001218255780 1373584871 /nfs/dbraw/zinc/58/48/71/1373584871.db2.gz LCDWWNPQJODXIQ-UHFFFAOYSA-N 1 0 341.205 3.268 20 5 EGBDRO O=[N+]([O-])c1ccc(OC2CCC3(C[NH2+]C3)CC2)cc1Br ZINC001218264059 1373585224 /nfs/dbraw/zinc/58/52/24/1373585224.db2.gz OZMGBEMYIFSLHC-UHFFFAOYSA-N 1 0 341.205 3.268 20 5 EGBDRO CC1(C)C[NH2+]CC[C@@H]1Oc1ccc(OC(F)(F)F)cc1[N+](=O)[O-] ZINC001218311072 1373593050 /nfs/dbraw/zinc/59/30/50/1373593050.db2.gz FTZXSPLMSMLRNQ-LBPRGKRZSA-N 1 0 334.294 3.260 20 5 EGBDRO CC1(C)C[NH2+]CC[C@@H]1Oc1c(F)cc([N+](=O)[O-])cc1Br ZINC001218315315 1373593669 /nfs/dbraw/zinc/59/36/69/1373593669.db2.gz KYQMDGWDNQKJOJ-NSHDSACASA-N 1 0 347.184 3.263 20 5 EGBDRO C[C@@H](Oc1cccc(N2CC[NH2+]CC2)c1)c1ccccc1[N+](=O)[O-] ZINC001218318013 1373594669 /nfs/dbraw/zinc/59/46/69/1373594669.db2.gz RQLZSUDTJOFXNJ-CQSZACIVSA-N 1 0 327.384 3.144 20 5 EGBDRO C[C@@H]1CC[C@H](Oc2c(F)cc([N+](=O)[O-])cc2Br)C[NH2+]1 ZINC001218399616 1373607420 /nfs/dbraw/zinc/60/74/20/1373607420.db2.gz BLHGXLPNAZULSA-APPZFPTMSA-N 1 0 333.157 3.016 20 5 EGBDRO Cc1cc(Br)c(O[C@H]2CC[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC001218427383 1373610784 /nfs/dbraw/zinc/61/07/84/1373610784.db2.gz ZYFFELDNVKODSE-SKDRFNHKSA-N 1 0 329.194 3.043 20 5 EGBDRO CCCC[C@H]([NH2+]C)C(=O)n1c2ccccc2cc2c(=O)c(N)ccc1-2 ZINC001219253573 1373696443 /nfs/dbraw/zinc/69/64/43/1373696443.db2.gz AQUZFAHNXDHGTA-INIZCTEOSA-N 1 0 337.423 3.107 20 5 EGBDRO Cc1ccnc(O[C@@H]2CCC[N@@H+]([C@@H](C)c3ccccn3)C2)c1[N+](=O)[O-] ZINC001226118228 1375206657 /nfs/dbraw/zinc/20/66/57/1375206657.db2.gz JAFFZARHVTVAEA-LSDHHAIUSA-N 1 0 342.399 3.298 20 5 EGBDRO CC[NH+](CC)C[C@@H](C)Oc1cc([N+](=O)[O-])ccc1Br ZINC001226581819 1375285522 /nfs/dbraw/zinc/28/55/22/1375285522.db2.gz CNAFMXXILFWFHF-SNVBAGLBSA-N 1 0 331.210 3.466 20 5 EGBDRO O=[N+]([O-])c1ccc(O[C@H]2CCC[N@H+](Cc3ccccc3F)C2)cn1 ZINC001226712407 1375314654 /nfs/dbraw/zinc/31/46/54/1375314654.db2.gz MGKPYXUFWPVBMH-HNNXBMFYSA-N 1 0 331.347 3.172 20 5 EGBDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2Oc1ccc([N+](=O)[O-])c2cccnc12 ZINC001228138196 1375520338 /nfs/dbraw/zinc/52/03/38/1375520338.db2.gz JSNJGUFHDXRZLX-IVWMJMPLSA-N 1 0 327.384 3.252 20 5 EGBDRO O=c1c2ccc(O)cc2oc2cc(O[C@@H]3C[NH+]4CCC3CC4)ccc21 ZINC001229515854 1375850237 /nfs/dbraw/zinc/85/02/37/1375850237.db2.gz IAKSXPVKRPTORP-LJQANCHMSA-N 1 0 337.375 3.125 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1O[C@H]1CC[C@H]([NH+]2CCOCC2)CC1 ZINC001230723658 1376134534 /nfs/dbraw/zinc/13/45/34/1376134534.db2.gz MSKORWYZZBZTAP-WKILWMFISA-N 1 0 334.416 3.234 20 5 EGBDRO Cc1cc(Br)cc([N+](=O)[O-])c1O[C@@H]1C[NH+]2CCC1CC2 ZINC001230940054 1376184721 /nfs/dbraw/zinc/18/47/21/1376184721.db2.gz WTWWVSQJIVZJET-CYBMUJFWSA-N 1 0 341.205 3.139 20 5 EGBDRO CC[NH+](CC)C[C@@H](C)Oc1ncc([N+](=O)[O-])c(C)c1Br ZINC001231092018 1376202185 /nfs/dbraw/zinc/20/21/85/1376202185.db2.gz AJKRNFJLRNAYGJ-SECBINFHSA-N 1 0 346.225 3.170 20 5 EGBDRO C[N@@H+]1CC[C@@H](Oc2cc(C(F)(F)F)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC001233968585 1376746661 /nfs/dbraw/zinc/74/66/61/1376746661.db2.gz AJBPJQWEZRKOOW-SNVBAGLBSA-N 1 0 341.289 3.245 20 5 EGBDRO CC(C)(C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC001135004549 1376839857 /nfs/dbraw/zinc/83/98/57/1376839857.db2.gz MRIAQEFIOMLYFL-UHFFFAOYSA-N 1 0 347.459 3.407 20 5 EGBDRO COC(=O)C[C@@H]1CNCC[N@@H+]1Cc1c2ccccc2cc2ccccc21 ZINC001235847579 1376900646 /nfs/dbraw/zinc/90/06/46/1376900646.db2.gz VOYLUGKIZVKNSB-GOSISDBHSA-N 1 0 348.446 3.330 20 5 EGBDRO CS[C@@H]1CC[C@H]([N@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC001327303746 1388492828 /nfs/dbraw/zinc/49/28/28/1388492828.db2.gz PLWQRVBOPPSFLA-QWHCGFSZSA-N 1 0 337.445 3.139 20 5 EGBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1Nc1ncnc2c(Cl)cc([N+](=O)[O-])cc12 ZINC001327658445 1388574112 /nfs/dbraw/zinc/57/41/12/1388574112.db2.gz IUHIELGSCXDNCL-LKFCYVNXSA-N 1 0 347.806 3.086 20 5 EGBDRO CCCCCC(C)(C)C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001151870029 1379805100 /nfs/dbraw/zinc/80/51/00/1379805100.db2.gz ORRKFHSVIOLAFF-UHFFFAOYSA-N 1 0 335.448 3.407 20 5 EGBDRO [NH3+][C@H]1CCC[C@@H](Nc2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)nn2)C1 ZINC001154990253 1380386225 /nfs/dbraw/zinc/38/62/25/1380386225.db2.gz ZGQFMHWTVWXNFW-NWDGAFQWSA-N 1 0 347.806 3.387 20 5 EGBDRO O=C(C=C1CCCCC1)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001155335471 1380438535 /nfs/dbraw/zinc/43/85/35/1380438535.db2.gz ILTSBTIWBRKNRM-UHFFFAOYSA-N 1 0 331.416 3.081 20 5 EGBDRO C[NH+](C)Cc1cccc(CNc2ncnc3cc([N+](=O)[O-])ccc32)c1 ZINC001156044748 1380517027 /nfs/dbraw/zinc/51/70/27/1380517027.db2.gz UGRWFZQNVWGEPJ-UHFFFAOYSA-N 1 0 337.383 3.212 20 5 EGBDRO C[N@@H+]1CCC[C@@H](CCNc2nc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC001156377541 1380567233 /nfs/dbraw/zinc/56/72/33/1380567233.db2.gz AKRWDQMDQRMEQH-VIFPVBQESA-N 1 0 333.219 3.440 20 5 EGBDRO C[C@@H]1[C@H]([NH3+])CCCN1c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC001157748108 1381020902 /nfs/dbraw/zinc/02/09/02/1381020902.db2.gz SOOVWQPJJWGPQT-BXUZGUMPSA-N 1 0 330.363 3.112 20 5 EGBDRO C[NH+](C)CC(C)(C)CNc1cc([N+](=O)[O-])cc2c(Cl)ncnc12 ZINC001157949129 1381078086 /nfs/dbraw/zinc/07/80/86/1381078086.db2.gz YLIWWSRESLFEEQ-UHFFFAOYSA-N 1 0 337.811 3.191 20 5 EGBDRO CC(C)N(c1cc2ccc(Cl)nc2cc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC001158035030 1381108771 /nfs/dbraw/zinc/10/87/71/1381108771.db2.gz NTPLJIZUZYCLDA-LBPRGKRZSA-N 1 0 334.807 3.373 20 5 EGBDRO CC1(C)C[C@H](Nc2ncnc3ccc([N+](=O)[O-])cc32)C[C@](C)(C[NH3+])C1 ZINC001158268731 1381178914 /nfs/dbraw/zinc/17/89/14/1381178914.db2.gz QSJBHYVHAAUXDW-SGTLLEGYSA-N 1 0 343.431 3.494 20 5 EGBDRO c1cnc2c(c1)ccc1ccc(N3CCO[C@@H](C[NH+]4CCCC4)C3)nc12 ZINC001158305569 1381194026 /nfs/dbraw/zinc/19/40/26/1381194026.db2.gz REZWTWCZKUNXEY-SFHVURJKSA-N 1 0 348.450 3.084 20 5 EGBDRO O=[N+]([O-])c1cnc(N2CCC3(CC2)[NH2+]Cc2ccccc23)c(Cl)c1 ZINC001159025830 1381518762 /nfs/dbraw/zinc/51/87/62/1381518762.db2.gz DARPDERVKSZSGO-UHFFFAOYSA-N 1 0 344.802 3.242 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])c(-n2c3ccccc3c3c2C[C@H]([NH3+])CC3)n1 ZINC001159950581 1381947948 /nfs/dbraw/zinc/94/79/48/1381947948.db2.gz YSOVUCXUQUAKPU-CYBMUJFWSA-N 1 0 336.395 3.367 20 5 EGBDRO O=[N+]([O-])c1cc(Nc2c(F)cccc2N2CC[NH2+]CC2)ccc1F ZINC001160057455 1381984956 /nfs/dbraw/zinc/98/49/56/1381984956.db2.gz LGIVZWMNKISPIC-UHFFFAOYSA-N 1 0 334.326 3.026 20 5 EGBDRO Nc1ccc(Nc2ccccc2O[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC001160232526 1382042083 /nfs/dbraw/zinc/04/20/83/1382042083.db2.gz DHQNYQZEKHRWSY-ZDUSSCGKSA-N 1 0 328.372 3.051 20 5 EGBDRO O=[N+]([O-])c1cc(O)cc(Nc2ccccc2O[C@H]2CCC[NH2+]C2)c1 ZINC001160232459 1382042285 /nfs/dbraw/zinc/04/22/85/1382042285.db2.gz CBBXUQWRLFXXBG-HNNXBMFYSA-N 1 0 329.356 3.175 20 5 EGBDRO [NH3+]Cc1cc2ccncc2n1-c1nc(Cl)c(Cl)cc1[N+](=O)[O-] ZINC001160959404 1382250745 /nfs/dbraw/zinc/25/07/45/1382250745.db2.gz PDTTXNSNLXMPPF-UHFFFAOYSA-N 1 0 338.154 3.094 20 5 EGBDRO [NH3+]CCc1cccc(Nc2ccc(-c3ccc([N+](=O)[O-])cc3)nn2)c1 ZINC001161077622 1382290945 /nfs/dbraw/zinc/29/09/45/1382290945.db2.gz RZOYCDLEPWKPLH-UHFFFAOYSA-N 1 0 335.367 3.297 20 5 EGBDRO Cc1nc(Cl)nc(NC2CC[NH+](CC(C)(C)C)CC2)c1[N+](=O)[O-] ZINC001161205890 1382340736 /nfs/dbraw/zinc/34/07/36/1382340736.db2.gz HJCZVIZTAMEQBG-UHFFFAOYSA-N 1 0 341.843 3.269 20 5 EGBDRO CC(C)CC1(C(=O)NCCC[NH2+]Cc2ccccc2[N+](=O)[O-])CCC1 ZINC001162245616 1382670301 /nfs/dbraw/zinc/67/03/01/1382670301.db2.gz CSYJUCDBQAQMCU-UHFFFAOYSA-N 1 0 347.459 3.407 20 5 EGBDRO CC(C)(CNC(=O)c1cccc([N+](=O)[O-])c1Cl)[NH+]1CCCCC1 ZINC001328690566 1388809363 /nfs/dbraw/zinc/80/93/63/1388809363.db2.gz XGRANEBKGNNTLG-UHFFFAOYSA-N 1 0 339.823 3.243 20 5 EGBDRO Cc1ccc2c(ccnc2NC[C@]2(F)CCCC[NH2+]C2)c1[N+](=O)[O-] ZINC001162579665 1382797258 /nfs/dbraw/zinc/79/72/58/1382797258.db2.gz NEOKJVBAEDRSPM-KRWDZBQOSA-N 1 0 332.379 3.345 20 5 EGBDRO C[NH+](C)CCOc1cc(NC[C@H]2CCC(F)(F)C2)ccc1[N+](=O)[O-] ZINC001162650443 1382821344 /nfs/dbraw/zinc/82/13/44/1382821344.db2.gz RFCAQXXMNLZHIY-LBPRGKRZSA-N 1 0 343.374 3.383 20 5 EGBDRO O=[N+]([O-])c1cc(NCC[C@@H]2C[NH2+]Cc3cccn3C2)cc2cc[nH]c21 ZINC001163061633 1382958708 /nfs/dbraw/zinc/95/87/08/1382958708.db2.gz ZJDYAUWFMWYQND-CYBMUJFWSA-N 1 0 339.399 3.099 20 5 EGBDRO CCOc1cc(NCC[C@H]2C[NH2+]Cc3cccn3C2)ccc1[N+](=O)[O-] ZINC001163064439 1382958834 /nfs/dbraw/zinc/95/88/34/1382958834.db2.gz YAEKNYBLTOEWKJ-AWEZNQCLSA-N 1 0 344.415 3.017 20 5 EGBDRO O=[N+]([O-])c1cc(N[C@@H]2CCO[C@]3(CC[NH2+]C3)C2)cc2ccccc21 ZINC001163332090 1383024162 /nfs/dbraw/zinc/02/41/62/1383024162.db2.gz HNXFOFXFAGXSFD-RDTXWAMCSA-N 1 0 327.384 3.071 20 5 EGBDRO COc1ccnc(-n2c(C)c(C)c3cc(C[NH3+])ccc32)c1[N+](=O)[O-] ZINC001163755747 1383118206 /nfs/dbraw/zinc/11/82/06/1383118206.db2.gz KTEKJHVDGKODNZ-UHFFFAOYSA-N 1 0 326.356 3.018 20 5 EGBDRO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1N(C)c1cc([N+](=O)[O-])ccn1 ZINC001165181302 1383243171 /nfs/dbraw/zinc/24/31/71/1383243171.db2.gz IUJFOWKOWQWVOT-CRAIPNDOSA-N 1 0 340.427 3.337 20 5 EGBDRO COc1cc(C)c([N+](=O)[O-])cc1NCC1C[NH+](Cc2ccccc2)C1 ZINC001165455522 1383298141 /nfs/dbraw/zinc/29/81/41/1383298141.db2.gz ZZNPQBFYHVLHCC-UHFFFAOYSA-N 1 0 341.411 3.456 20 5 EGBDRO CC(C)[NH+]1CCC(CNc2ncnc3cc(F)c([N+](=O)[O-])cc32)CC1 ZINC001166603630 1383444653 /nfs/dbraw/zinc/44/46/53/1383444653.db2.gz MCIWOBFOXIBFEA-UHFFFAOYSA-N 1 0 347.394 3.209 20 5 EGBDRO CC1(C)CC([NH3+])CC(C)(C)N1c1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC001167625243 1383691745 /nfs/dbraw/zinc/69/17/45/1383691745.db2.gz HUJSCZMMDHDHKA-UHFFFAOYSA-N 1 0 332.448 3.353 20 5 EGBDRO [NH3+]Cc1nn(-c2ncc(F)c3cc([N+](=O)[O-])ccc32)c2ccccc12 ZINC001167697370 1383714506 /nfs/dbraw/zinc/71/45/06/1383714506.db2.gz WEUULNKNKMEOSL-UHFFFAOYSA-N 1 0 337.314 3.080 20 5 EGBDRO CN(C)c1ccc(N2C[C@@H](CC[NH3+])c3ccccc32)c([N+](=O)[O-])c1 ZINC001168549865 1383934868 /nfs/dbraw/zinc/93/48/68/1383934868.db2.gz WKGNODIXNVRPRW-CYBMUJFWSA-N 1 0 326.400 3.245 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+]CCOC(=O)Cc2ccccc2)cc1[N+](=O)[O-] ZINC001168553575 1383935468 /nfs/dbraw/zinc/93/54/68/1383935468.db2.gz ULCGAKKWQUZUPH-OAHLLOKOSA-N 1 0 342.395 3.340 20 5 EGBDRO C[NH+](C)[C@H]1CCCC[C@@H]1Nc1nc2cc([N+](=O)[O-])ccc2nc1Cl ZINC001168596484 1383944346 /nfs/dbraw/zinc/94/43/46/1383944346.db2.gz KPGNLIIRQODKNS-JSGCOSHPSA-N 1 0 349.822 3.476 20 5 EGBDRO Cc1ccc([C@H](C)Nc2ccc([N+](=O)[O-])c(OCC[NH+](C)C)c2)nc1 ZINC001168856873 1384036560 /nfs/dbraw/zinc/03/65/60/1384036560.db2.gz DCHNMQSZVMNAMX-AWEZNQCLSA-N 1 0 344.415 3.412 20 5 EGBDRO CC(C)(C)OC(=O)c1ccc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001168964429 1384072355 /nfs/dbraw/zinc/07/23/55/1384072355.db2.gz SINYNSZWZDOFQQ-GDBMZVCRSA-N 1 0 334.416 3.177 20 5 EGBDRO Cc1cc(F)ccc1CN1CCC([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168990716 1384079852 /nfs/dbraw/zinc/07/98/52/1384079852.db2.gz DRCWPYLLIRDZTI-HNAYVOBHSA-N 1 0 349.450 3.134 20 5 EGBDRO COc1ccc(CC2(C[NH2+][C@@H]3CC[C@H](C[N+](=O)[O-])C3)CCC2)cc1 ZINC001168997727 1384082995 /nfs/dbraw/zinc/08/29/95/1384082995.db2.gz FFSGDDKXDSCTOO-DLBZAZTESA-N 1 0 332.444 3.443 20 5 EGBDRO COCCC1(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CCC(F)(F)CC1 ZINC001168998175 1384083270 /nfs/dbraw/zinc/08/32/70/1384083270.db2.gz JDSIDDHUDMVDPH-KBPBESRZSA-N 1 0 334.407 3.254 20 5 EGBDRO CC(C)(C)OC(=O)Cc1cccc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001169007263 1384086229 /nfs/dbraw/zinc/08/62/29/1384086229.db2.gz MDDWFPZCUVEDAJ-IAGOWNOFSA-N 1 0 348.443 3.106 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2CCc3cc(Br)ccc3C2)C1 ZINC001169010273 1384088785 /nfs/dbraw/zinc/08/87/85/1384088785.db2.gz CBNKNSZJWPOCHV-XHDPSFHLSA-N 1 0 339.233 3.253 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCC(Oc3cccc(Cl)n3)CC2)C1 ZINC001169035825 1384096360 /nfs/dbraw/zinc/09/63/60/1384096360.db2.gz CPNQPTCZSOCBOG-QWHCGFSZSA-N 1 0 339.823 3.024 20 5 EGBDRO COC(=O)c1ccc([C@H]2CCCC[N@@H+]2[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001169048743 1384100452 /nfs/dbraw/zinc/10/04/52/1384100452.db2.gz BFBPADJPWDQOKN-ZTFGCOKTSA-N 1 0 346.427 3.446 20 5 EGBDRO COC(=O)[C@@H]1CC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)[C@@H](c2ccccc2)C1 ZINC001169047862 1384100603 /nfs/dbraw/zinc/10/06/03/1384100603.db2.gz SATIQOJKHFHZRD-DZOHQFGASA-N 1 0 346.427 3.058 20 5 EGBDRO COC(=O)c1ccc([C@@H]2CCCC[N@@H+]2[C@@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001169048741 1384100646 /nfs/dbraw/zinc/10/06/46/1384100646.db2.gz BFBPADJPWDQOKN-QGTPRVQTSA-N 1 0 346.427 3.446 20 5 EGBDRO CN1Cc2cc(N[C@H]3CC(C)(C)C[C@](C)(C[NH3+])C3)cc([N+](=O)[O-])c2N1 ZINC001169145213 1384114548 /nfs/dbraw/zinc/11/45/48/1384114548.db2.gz CSAOHFYMZBKRSN-KBXCAEBGSA-N 1 0 347.463 3.323 20 5 EGBDRO CC1(C)C[C@@H](Nc2cccc3ncc([N+](=O)[O-])n32)C[C@](C)(C[NH3+])C1 ZINC001169148615 1384115293 /nfs/dbraw/zinc/11/52/93/1384115293.db2.gz YNEWIXQWYFWRDI-PXAZEXFGSA-N 1 0 331.420 3.198 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2cnc(Cl)s2)c([N+](=O)[O-])c1 ZINC001170294858 1384284521 /nfs/dbraw/zinc/28/45/21/1384284521.db2.gz DMVQGEIJUUWVSV-SECBINFHSA-N 1 0 341.820 3.434 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+]CCOc2ccccc2F)c([N+](=O)[O-])c1 ZINC001170297808 1384285132 /nfs/dbraw/zinc/28/51/32/1384285132.db2.gz SMMWZHSTYDMUFT-CYBMUJFWSA-N 1 0 348.374 3.342 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+]CC(=O)c2ccccc2)c([N+](=O)[O-])c1 ZINC001170297912 1384285378 /nfs/dbraw/zinc/28/53/78/1384285378.db2.gz VQLJUXJTPLZYNR-CYBMUJFWSA-N 1 0 328.368 3.007 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+][C@H](C)CCCC(C)(C)O)c([N+](=O)[O-])c1 ZINC001170304923 1384287283 /nfs/dbraw/zinc/28/72/83/1384287283.db2.gz HXYLLSFVVIEDLB-ZIAGYGMSSA-N 1 0 338.448 3.454 20 5 EGBDRO COCc1cccc(C[NH2+][C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])c1 ZINC001170319259 1384290081 /nfs/dbraw/zinc/29/00/81/1384290081.db2.gz WGTGHBBLYIHYMB-CQSZACIVSA-N 1 0 344.411 3.471 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)N3C)c([N+](=O)[O-])c1 ZINC001170317963 1384290163 /nfs/dbraw/zinc/29/01/63/1384290163.db2.gz MZDPOUMGLHRHJA-QSPRXWTASA-N 1 0 347.459 3.139 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CCOC(C)(C)C2)c([N+](=O)[O-])c1 ZINC001170322885 1384290658 /nfs/dbraw/zinc/29/06/58/1384290658.db2.gz IADUKGQKJQPXPO-ZIAGYGMSSA-N 1 0 336.432 3.329 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2cn(CC(C)C)cn2)c([N+](=O)[O-])c1 ZINC001170323393 1384290814 /nfs/dbraw/zinc/29/08/14/1384290814.db2.gz JIZBDAVSGQVVSK-CQSZACIVSA-N 1 0 346.431 3.177 20 5 EGBDRO COc1ccc(C[C@H](C)[N@@H+]2CCc3nc(C)sc3C2)c([N+](=O)[O-])c1 ZINC001170345380 1384295796 /nfs/dbraw/zinc/29/57/96/1384295796.db2.gz JOLXMJSCQDZWQR-NSHDSACASA-N 1 0 347.440 3.358 20 5 EGBDRO COc1ccc(C[C@@H](C)[N@@H+]2CC[C@H](COCC3CC3)C2)c([N+](=O)[O-])c1 ZINC001170352422 1384298046 /nfs/dbraw/zinc/29/80/46/1384298046.db2.gz NFWJLUUVOARYDD-ZBFHGGJFSA-N 1 0 348.443 3.283 20 5 EGBDRO CC(C)CC(C)(C)C(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001170545436 1384339227 /nfs/dbraw/zinc/33/92/27/1384339227.db2.gz CFRLQTOPUAMQCS-UHFFFAOYSA-N 1 0 335.448 3.263 20 5 EGBDRO Cc1ccc2c(C[C@H](C)[NH3+])cn(-c3ccc4ncc([N+](=O)[O-])n4c3)c2c1 ZINC001171170208 1384459467 /nfs/dbraw/zinc/45/94/67/1384459467.db2.gz VMPYZILHAXMCTA-ZDUSSCGKSA-N 1 0 349.394 3.385 20 5 EGBDRO Cc1c(NCc2ccccc2N2CC[NH2+]CC2)cc(F)cc1[N+](=O)[O-] ZINC001171284650 1384485566 /nfs/dbraw/zinc/48/55/66/1384485566.db2.gz FTEYGTIKMPWCDO-UHFFFAOYSA-N 1 0 344.390 3.064 20 5 EGBDRO Cc1c(F)cc([N+](=O)[O-])cc1NCc1ccccc1N1CC[NH2+]CC1 ZINC001171288571 1384486427 /nfs/dbraw/zinc/48/64/27/1384486427.db2.gz MSOMDQHEGJHJCS-UHFFFAOYSA-N 1 0 344.390 3.064 20 5 EGBDRO O=C(NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC001171844730 1384658945 /nfs/dbraw/zinc/65/89/45/1384658945.db2.gz SQGVCPIMFDVYIY-UHFFFAOYSA-N 1 0 347.802 3.158 20 5 EGBDRO O=C(C[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1ccc(F)cc1 ZINC001172900366 1384874091 /nfs/dbraw/zinc/87/40/91/1384874091.db2.gz SPJSKLNSMOBCMA-QGZVFWFLSA-N 1 0 342.370 3.454 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]Cc1ccc(CO)cc1)CC2 ZINC001172899692 1384874337 /nfs/dbraw/zinc/87/43/37/1384874337.db2.gz OUVADDZXSUJEOW-SFHVURJKSA-N 1 0 326.396 3.124 20 5 EGBDRO COC(=O)CCCCC[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172902046 1384874349 /nfs/dbraw/zinc/87/43/49/1384874349.db2.gz UFMKVVXFCVQRGR-MRXNPFEDSA-N 1 0 334.416 3.165 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1CCC[C@](F)(CO)CC1)CC2 ZINC001172902844 1384874724 /nfs/dbraw/zinc/87/47/24/1384874724.db2.gz CXCNSGMZPHXUNB-FUHWJXTLSA-N 1 0 336.407 3.029 20 5 EGBDRO C[C@@](CO)([NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1ccccc1 ZINC001172902869 1384874814 /nfs/dbraw/zinc/87/48/14/1384874814.db2.gz MPAWKYLJFZYGPG-QUCCMNQESA-N 1 0 340.423 3.340 20 5 EGBDRO CC[N@H+](CCCC(=O)OC)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172904855 1384875380 /nfs/dbraw/zinc/87/53/80/1384875380.db2.gz AUGKTQCPJOUZHI-INIZCTEOSA-N 1 0 334.416 3.117 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@H]1CCN(CC3CCC3)C1)CC2 ZINC001172906962 1384875440 /nfs/dbraw/zinc/87/54/40/1384875440.db2.gz ZKTGVZBVMNSXGR-OALUTQOASA-N 1 0 343.471 3.306 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]Cc1cncn1CC1CC1)CC2 ZINC001172906296 1384875468 /nfs/dbraw/zinc/87/54/68/1384875468.db2.gz NWJLDRIINOAVDM-KRWDZBQOSA-N 1 0 340.427 3.239 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CCN(C3CCCC3)C1)CC2 ZINC001172905936 1384875488 /nfs/dbraw/zinc/87/54/88/1384875488.db2.gz VDEJSEDWPHNRRR-QZTJIDSGSA-N 1 0 343.471 3.449 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]C13CCC(O)(CC1)CC3)CC2 ZINC001172912420 1384876365 /nfs/dbraw/zinc/87/63/65/1384876365.db2.gz OGVXWJDAHGAHFI-IPJUCJBFSA-N 1 0 330.428 3.270 20 5 EGBDRO COC(=O)[C@H]1CC[C@@H](C)[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172914802 1384877358 /nfs/dbraw/zinc/87/73/58/1384877358.db2.gz IYYBRXFUCPJJEV-XOKHGSTOSA-N 1 0 346.427 3.116 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CCC3(C1)CCOCC3)CC2 ZINC001172915438 1384877806 /nfs/dbraw/zinc/87/78/06/1384877806.db2.gz MZVZSUSLEPKJGV-QGZVFWFLSA-N 1 0 330.428 3.345 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+](C)Cc2ccncc2)c1F ZINC001173178899 1384931638 /nfs/dbraw/zinc/93/16/38/1384931638.db2.gz BYZQXDQYZSRPLN-LBPRGKRZSA-N 1 0 333.363 3.201 20 5 EGBDRO COC[C@H]1CCCC[N@@H+]1[C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173178293 1384931960 /nfs/dbraw/zinc/93/19/60/1384931960.db2.gz AEKMZAMDBZLUBS-QWHCGFSZSA-N 1 0 340.395 3.174 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CC[C@H]2CCCCO2)c1F ZINC001173177878 1384931976 /nfs/dbraw/zinc/93/19/76/1384931976.db2.gz YCBDMOZYAVKIIS-QWHCGFSZSA-N 1 0 340.395 3.222 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1(C)CN(C(=O)OC(C)(C)C)C1 ZINC001173211900 1384936889 /nfs/dbraw/zinc/93/68/89/1384936889.db2.gz VCIVFMZYXPZSKG-ZDUSSCGKSA-N 1 0 349.431 3.125 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC1(c2ccccc2)COC1 ZINC001173213480 1384936913 /nfs/dbraw/zinc/93/69/13/1384936913.db2.gz HVQIJOCKYWLNQM-OAHLLOKOSA-N 1 0 326.396 3.084 20 5 EGBDRO COc1cccc(OC)c1C[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173216798 1384937556 /nfs/dbraw/zinc/93/75/56/1384937556.db2.gz JLASEZPTTWOELH-ZDUSSCGKSA-N 1 0 330.384 3.333 20 5 EGBDRO COc1cccc2c1C[C@H]([NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1)CO2 ZINC001173220116 1384938408 /nfs/dbraw/zinc/93/84/08/1384938408.db2.gz UDYXBRGWAZNMRN-HIFRSBDPSA-N 1 0 342.395 3.128 20 5 EGBDRO Cc1ccccc1C[C@@H](CO)[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173222265 1384938593 /nfs/dbraw/zinc/93/85/93/1384938593.db2.gz VUYMEAMQXXKQJU-YJBOKZPZSA-N 1 0 328.412 3.027 20 5 EGBDRO CCN1C(=O)CCC12CC[NH+]([C@@H](C)Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC001173223824 1384938863 /nfs/dbraw/zinc/93/88/63/1384938863.db2.gz HWDBWBFHBBRBJS-HNNXBMFYSA-N 1 0 345.443 3.003 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1nccn1CC(F)(F)F ZINC001173223306 1384938953 /nfs/dbraw/zinc/93/89/53/1384938953.db2.gz HVLLSQITIHJHCS-NSHDSACASA-N 1 0 342.321 3.074 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cnn(CC(F)(F)F)c1 ZINC001173226153 1384939550 /nfs/dbraw/zinc/93/95/50/1384939550.db2.gz VEPUZLNCGMOADG-NSHDSACASA-N 1 0 342.321 3.074 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC001173227648 1384940113 /nfs/dbraw/zinc/94/01/13/1384940113.db2.gz RQEJOBDVJKCHFV-ZFWWWQNUSA-N 1 0 334.416 3.189 20 5 EGBDRO CC(C)[C@H]1[NH2+]CCc2ncn([C@H](C)Cc3ccc([N+](=O)[O-])cc3)c21 ZINC001173231038 1384940612 /nfs/dbraw/zinc/94/06/12/1384940612.db2.gz JBEDAUBODIRYGJ-CXAGYDPISA-N 1 0 328.416 3.438 20 5 EGBDRO CCOC(=O)N1CCC([N@H+](C)[C@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173233738 1384941558 /nfs/dbraw/zinc/94/15/58/1384941558.db2.gz MWPJJPBUQDFLPC-CQSZACIVSA-N 1 0 349.431 3.079 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCC([NH+]2CCC(F)CC2)CC1 ZINC001173232481 1384941710 /nfs/dbraw/zinc/94/17/10/1384941710.db2.gz HBCMQTMKBTZCIN-OAHLLOKOSA-N 1 0 349.450 3.424 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cccnc1N1CCCC1 ZINC001173235946 1384941956 /nfs/dbraw/zinc/94/19/56/1384941956.db2.gz WHLSCTSQOUSTCK-OAHLLOKOSA-N 1 0 340.427 3.311 20 5 EGBDRO CCCCOC(=O)[C@@H]1CC[N@@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173236843 1384942105 /nfs/dbraw/zinc/94/21/05/1384942105.db2.gz FNUQEABJSQTKPE-GOEBONIOSA-N 1 0 334.416 3.191 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[C@H]([NH+]2CCCCC2)[C@@H](F)C1 ZINC001173238972 1384942829 /nfs/dbraw/zinc/94/28/29/1384942829.db2.gz YWTKNEICWFYSQY-MNEFBYGVSA-N 1 0 349.450 3.424 20 5 EGBDRO CCc1ccc(C(=O)NCCC[NH2+]Cc2csc([N+](=O)[O-])c2)cc1 ZINC001175085090 1385192381 /nfs/dbraw/zinc/19/23/81/1385192381.db2.gz LAFNADSWFOJSLC-UHFFFAOYSA-N 1 0 347.440 3.128 20 5 EGBDRO O=C(NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C12CCC(CC1)CC2 ZINC001176697262 1385662409 /nfs/dbraw/zinc/66/24/09/1385662409.db2.gz HZNSVRZFLOJPIA-UHFFFAOYSA-N 1 0 345.443 3.161 20 5 EGBDRO CC[N@H+](C)[C@@H](C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC001318905937 1385877103 /nfs/dbraw/zinc/87/71/03/1385877103.db2.gz FINRSBIQXODRHG-GOSISDBHSA-N 1 0 339.395 3.130 20 5 EGBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC001319191366 1385999913 /nfs/dbraw/zinc/99/99/13/1385999913.db2.gz BEEYDZMLMZKRDQ-AWEZNQCLSA-N 1 0 334.420 3.065 20 5 EGBDRO Cc1ccc(C[N@@H+]2CCCN(c3ccc([N+](=O)[O-])c(C)n3)CC2)cc1 ZINC001319654048 1386235891 /nfs/dbraw/zinc/23/58/91/1386235891.db2.gz CZNRYYOIOQZNIX-UHFFFAOYSA-N 1 0 340.427 3.319 20 5 EGBDRO O=C(CCCF)NCCCCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001179269219 1386436021 /nfs/dbraw/zinc/43/60/21/1386436021.db2.gz HGOILHUBRMZXDU-UHFFFAOYSA-N 1 0 345.440 3.172 20 5 EGBDRO COC(=O)CC(C)(C)[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC001320037781 1386467698 /nfs/dbraw/zinc/46/76/98/1386467698.db2.gz PDOJHPTZOYJWKV-UHFFFAOYSA-N 1 0 338.404 3.156 20 5 EGBDRO C[NH+](C)[C@@H]1CCCC[C@H]1Nc1ncc([N+](=O)[O-])cc1Br ZINC001322473443 1387192963 /nfs/dbraw/zinc/19/29/63/1387192963.db2.gz XSPQZSCJWQQBAH-VXGBXAGGSA-N 1 0 343.225 3.037 20 5 EGBDRO Cc1cccc(NC[C@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2)n1 ZINC001337033573 1389241520 /nfs/dbraw/zinc/24/15/20/1389241520.db2.gz ZLSDBOSXRKPONR-QGZVFWFLSA-N 1 0 326.400 3.375 20 5 EGBDRO CC(C)[N@@H+]1CCCN(c2ncnc3c(Cl)cc([N+](=O)[O-])cc32)CC1 ZINC001333693572 1390375692 /nfs/dbraw/zinc/37/56/92/1390375692.db2.gz SWASUNIXKQBYLL-UHFFFAOYSA-N 1 0 349.822 3.112 20 5 EGBDRO CCS[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC001334972315 1390627330 /nfs/dbraw/zinc/62/73/30/1390627330.db2.gz HFJATIDXAMZITK-JSGCOSHPSA-N 1 0 340.445 3.463 20 5 EGBDRO CC(C)c1ccc(C(=O)N2CC[NH+](C(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC001343334089 1390707934 /nfs/dbraw/zinc/70/79/34/1390707934.db2.gz CCYZKFUZXHZVIK-UHFFFAOYSA-N 1 0 333.432 3.275 20 5 EGBDRO Cc1cc(F)ccc1[C@H](C)NC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC001344876713 1390821203 /nfs/dbraw/zinc/82/12/03/1390821203.db2.gz IWCKKHZZOQQKRU-KPZWWZAWSA-N 1 0 345.374 3.094 20 5 EGBDRO C[C@@H](CC[NH+]1CCCC1)OC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC001345533102 1390864178 /nfs/dbraw/zinc/86/41/78/1390864178.db2.gz JIQKHVFIIWNNDZ-ZDUSSCGKSA-N 1 0 345.399 3.036 20 5 EGBDRO Cc1cc(NC(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)cc([N+](=O)[O-])c1 ZINC001345954711 1390897061 /nfs/dbraw/zinc/89/70/61/1390897061.db2.gz YFQPTGRQSDYAHJ-ZDUSSCGKSA-N 1 0 334.420 3.097 20 5 EGBDRO COC1CC[NH+](CCNc2cccc(C(F)(F)F)c2[N+](=O)[O-])CC1 ZINC001349993590 1391395705 /nfs/dbraw/zinc/39/57/05/1391395705.db2.gz ABYBBOLHBHJMSS-UHFFFAOYSA-N 1 0 347.337 3.136 20 5 EGBDRO CCOC(=O)c1ncc(CNC(C)(C)c2ccc([N+](=O)[O-])cc2)s1 ZINC001351935932 1391719686 /nfs/dbraw/zinc/71/96/86/1391719686.db2.gz STFFVRUMFDDJMG-UHFFFAOYSA-N 1 0 349.412 3.253 20 5 EGBDRO Cc1ccc(C(=O)N(C)CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1C ZINC001753257810 1440343833 /nfs/dbraw/zinc/34/38/33/1440343833.db2.gz JXTYSEJLBLNJPE-UHFFFAOYSA-N 1 0 341.411 3.073 20 5 EGBDRO O=C(NC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CCCC1)C1CCCC1 ZINC001753497304 1440422154 /nfs/dbraw/zinc/42/21/54/1440422154.db2.gz FLAAGGDLAQGREP-UHFFFAOYSA-N 1 0 345.443 3.304 20 5 EGBDRO CC(C)(C)/C=C\C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001755467134 1440858320 /nfs/dbraw/zinc/85/83/20/1440858320.db2.gz NIBRRBCEULLWAM-KHTDKZQGSA-N 1 0 345.443 3.182 20 5 EGBDRO CN(CC1CC[NH+](C)CC1)c1nc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001165041304 721933392 /nfs/dbraw/zinc/93/33/92/721933392.db2.gz PPVOOACNZIYYQE-UHFFFAOYSA-N 1 0 333.219 3.075 20 5 EGBDRO CC[NH+](CC)C1CCN(c2ccc3cccc([N+](=O)[O-])c3n2)CC1 ZINC001165053978 722002686 /nfs/dbraw/zinc/00/26/86/722002686.db2.gz VMMZJKHNHGCYHC-UHFFFAOYSA-N 1 0 328.416 3.454 20 5 EGBDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000175046264 231375182 /nfs/dbraw/zinc/37/51/82/231375182.db2.gz DNPURMNLWYZDHZ-GFCCVEGCSA-N 1 0 339.823 3.243 20 5 EGBDRO CC[C@@]1(CO)CCC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000189637516 529562189 /nfs/dbraw/zinc/56/21/89/529562189.db2.gz WQXLAZRMTMXSJP-SFHVURJKSA-N 1 0 345.399 3.029 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)N2CCCCCC2)cc1[N+](=O)[O-] ZINC000178687948 232378918 /nfs/dbraw/zinc/37/89/18/232378918.db2.gz BWSIZPHDUBTRTR-HUUCEWRRSA-N 1 0 333.432 3.345 20 5 EGBDRO O=[N+]([O-])c1cccc(OCC[NH2+][C@H](CCCO)c2ccccc2)c1 ZINC000179735660 233381001 /nfs/dbraw/zinc/38/10/01/233381001.db2.gz HMENPSNMXJDVSK-GOSISDBHSA-N 1 0 330.384 3.077 20 5 EGBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000069044409 215356104 /nfs/dbraw/zinc/35/61/04/215356104.db2.gz LUYUMTYLGUSIDZ-LBPRGKRZSA-N 1 0 339.823 3.098 20 5 EGBDRO CSCCCCC[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000186773150 236015019 /nfs/dbraw/zinc/01/50/19/236015019.db2.gz VMDXNXUDCYTSPH-CYBMUJFWSA-N 1 0 339.461 3.435 20 5 EGBDRO CSC[C@](C)(O)C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000130262342 223137824 /nfs/dbraw/zinc/13/78/24/223137824.db2.gz FIJBCUAWNKLXTM-FRFSOERESA-N 1 0 338.473 3.010 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000132597927 223346060 /nfs/dbraw/zinc/34/60/60/223346060.db2.gz DZDHLNDUPHOTKA-HNNXBMFYSA-N 1 0 349.431 3.168 20 5 EGBDRO Cc1ccc([C@H](C)NC(=O)[C@H](C)[C@H]([NH3+])c2ccccc2)cc1[N+](=O)[O-] ZINC000262642630 245090139 /nfs/dbraw/zinc/09/01/39/245090139.db2.gz SJYAATJAVTVHBG-GLJUWKHASA-N 1 0 341.411 3.417 20 5 EGBDRO C[NH+](C)C1(CNC(=O)Nc2cccc([N+](=O)[O-])c2)CCCCCC1 ZINC000018173931 211985055 /nfs/dbraw/zinc/98/50/55/211985055.db2.gz WGZSRYLZYLJMBR-UHFFFAOYSA-N 1 0 334.420 3.371 20 5 EGBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Cl)[NH+]1CCC(C)CC1 ZINC000078650819 217094825 /nfs/dbraw/zinc/09/48/25/217094825.db2.gz OHHNUYXQTFOWGK-GFCCVEGCSA-N 1 0 339.823 3.098 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCCC[NH+]1CCCCC1 ZINC000085634008 217681897 /nfs/dbraw/zinc/68/18/97/217681897.db2.gz CXUWEHNLDZSHNG-UHFFFAOYSA-N 1 0 334.420 3.209 20 5 EGBDRO COc1cccc([C@@H](CNc2nccc(C)c2[N+](=O)[O-])[NH+](C)C)c1 ZINC000265275751 247361383 /nfs/dbraw/zinc/36/13/83/247361383.db2.gz VNNAADSWNPDFQV-OAHLLOKOSA-N 1 0 330.388 3.022 20 5 EGBDRO CO[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000266136082 248122569 /nfs/dbraw/zinc/12/25/69/248122569.db2.gz FLXKJJMNWPSEEE-JSGCOSHPSA-N 1 0 343.221 3.405 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CC[C@@H](C[NH+]3CCCCC3)C2)c2ccncc21 ZINC000266247415 248200401 /nfs/dbraw/zinc/20/04/01/248200401.db2.gz MNTCYXFRZQGJQZ-HNNXBMFYSA-N 1 0 340.427 3.455 20 5 EGBDRO Cn1cc(C[NH2+]CCCC(F)(F)F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000266636512 248392479 /nfs/dbraw/zinc/39/24/79/248392479.db2.gz SYYRJCCZMUTGDK-UHFFFAOYSA-N 1 0 342.321 3.427 20 5 EGBDRO Cn1ccnc1[C@H]1CCC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000377294114 169007386 /nfs/dbraw/zinc/00/73/86/169007386.db2.gz REAVFMWSTHTATD-ZDUSSCGKSA-N 1 0 334.807 3.361 20 5 EGBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1c[nH]nc1-c1cccnc1 ZINC000377678651 169059727 /nfs/dbraw/zinc/05/97/27/169059727.db2.gz KOHXSNCFKKLXCE-UHFFFAOYSA-N 1 0 337.383 3.054 20 5 EGBDRO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCCOC(C)(C)C1 ZINC000377706423 169065210 /nfs/dbraw/zinc/06/52/10/169065210.db2.gz PVKJWPAVDXQYOM-GFCCVEGCSA-N 1 0 346.387 3.207 20 5 EGBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(c2c3c(ccc2[N+](=O)[O-])NCC3)C1 ZINC000408406055 169174894 /nfs/dbraw/zinc/17/48/94/169174894.db2.gz PIFFXHQYXKYVMD-KFWWJZLASA-N 1 0 344.459 3.404 20 5 EGBDRO C[N@@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C[C@@H]1CCOC1 ZINC000093839648 218252111 /nfs/dbraw/zinc/25/21/11/218252111.db2.gz HJJHTZHZJAQTLN-LBPRGKRZSA-N 1 0 333.413 3.187 20 5 EGBDRO C[NH+](C)[C@@H]1CCC[C@H](Nc2ncc([N+](=O)[O-])cc2Br)C1 ZINC000267262729 250884563 /nfs/dbraw/zinc/88/45/63/250884563.db2.gz KTAUOTFHVCBEJA-VHSXEESVSA-N 1 0 343.225 3.037 20 5 EGBDRO C[C@@H]([NH2+]C[C@@H](CO)Cc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000268852243 252300211 /nfs/dbraw/zinc/30/02/11/252300211.db2.gz PXKOEESMZFPKRY-HIFRSBDPSA-N 1 0 332.375 3.236 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C1CCC3(CC1)OCCO3)CCC2 ZINC000192687243 285144454 /nfs/dbraw/zinc/14/44/54/285144454.db2.gz ACYLLEVCDBCQEJ-QGZVFWFLSA-N 1 0 332.400 3.248 20 5 EGBDRO O=[N+]([O-])c1ccc2nc(N3CC[C@H]([NH+]4CCCCC4)C3)ccc2c1 ZINC000264594428 285150332 /nfs/dbraw/zinc/15/03/32/285150332.db2.gz MFQHCPNUJGRIDM-INIZCTEOSA-N 1 0 326.400 3.208 20 5 EGBDRO CC(C)(C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000269095620 255528284 /nfs/dbraw/zinc/52/82/84/255528284.db2.gz MPBIQFGPSJYDTB-UHFFFAOYSA-N 1 0 347.459 3.298 20 5 EGBDRO Cc1ccc([C@@H](C)NC(=O)C[C@@H]([NH3+])c2ccccc2)cc1[N+](=O)[O-] ZINC000119381657 221308149 /nfs/dbraw/zinc/30/81/49/221308149.db2.gz LISMFASLTQANHD-CZUORRHYSA-N 1 0 327.384 3.171 20 5 EGBDRO C[C@@H](NC(=O)c1csc([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181553302 533317758 /nfs/dbraw/zinc/31/77/58/533317758.db2.gz GCOAJVNHIVAECI-VXGBXAGGSA-N 1 0 337.445 3.039 20 5 EGBDRO C[C@@H]([NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1)C1CCOCC1 ZINC000134487704 533443654 /nfs/dbraw/zinc/44/36/54/533443654.db2.gz FQKPCIDQWGCXIR-SNVBAGLBSA-N 1 0 343.221 3.262 20 5 EGBDRO CC[NH+]1C[C@H](C)N(C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000344453563 285458570 /nfs/dbraw/zinc/45/85/70/285458570.db2.gz NKLDEKONOGZNLA-RYUDHWBXSA-N 1 0 339.823 3.111 20 5 EGBDRO Cc1ccc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1[N+](=O)[O-] ZINC000246799665 141034314 /nfs/dbraw/zinc/03/43/14/141034314.db2.gz QSHAKTOSSYRQOZ-FUHWJXTLSA-N 1 0 329.444 3.352 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+]CCc2cc(C(F)(F)F)ccn2)cc1 ZINC000339481474 141121008 /nfs/dbraw/zinc/12/10/08/141121008.db2.gz MQBFQVRFPFUBAU-UHFFFAOYSA-N 1 0 325.290 3.341 20 5 EGBDRO CCCN(CC[NH+]1CCCCC1)C(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000342794986 141148760 /nfs/dbraw/zinc/14/87/60/141148760.db2.gz NAEQBPLKEDLOCD-UHFFFAOYSA-N 1 0 333.432 3.241 20 5 EGBDRO C[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)[C@H](c1ccccc1)[NH+](C)C ZINC000356235367 141324952 /nfs/dbraw/zinc/32/49/52/141324952.db2.gz SKVFJGDVVRZUKR-SJKOYZFVSA-N 1 0 345.374 3.155 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000173211822 144037426 /nfs/dbraw/zinc/03/74/26/144037426.db2.gz IEGZDODYBIOOBG-HUUCEWRRSA-N 1 0 347.459 3.390 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000178690378 144074966 /nfs/dbraw/zinc/07/49/66/144074966.db2.gz IXGHULUUHFPWQX-QAPCUYQASA-N 1 0 334.416 3.121 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@H](c3c(F)cccc3F)C2)c1 ZINC000185331949 144111499 /nfs/dbraw/zinc/11/14/99/144111499.db2.gz JHDNTFQEEQOZLY-SUMWQHHRSA-N 1 0 348.349 3.396 20 5 EGBDRO C[C@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)[C@@H]1COc2ccccc21 ZINC000185615195 144116067 /nfs/dbraw/zinc/11/60/67/144116067.db2.gz GRRKGQONILQFHL-GUYCJALGSA-N 1 0 328.368 3.128 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCC[C@H](C)C1 ZINC000187918447 144165984 /nfs/dbraw/zinc/16/59/84/144165984.db2.gz JDKONYSFSPHUPW-ZDUSSCGKSA-N 1 0 335.404 3.054 20 5 EGBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000344705533 144211731 /nfs/dbraw/zinc/21/17/31/144211731.db2.gz KKCONIVFGSGOTD-AWEZNQCLSA-N 1 0 339.823 3.098 20 5 EGBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCOC2)ccc1Oc1ccc(F)cc1 ZINC000344846229 144230057 /nfs/dbraw/zinc/23/00/57/144230057.db2.gz KOXGEJNCJALRQP-AWEZNQCLSA-N 1 0 332.331 3.405 20 5 EGBDRO CCN(CCC[NH+]1CCCC1)C(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000351782420 144306041 /nfs/dbraw/zinc/30/60/41/144306041.db2.gz KAXNLTVBXYEHRI-UHFFFAOYSA-N 1 0 347.459 3.468 20 5 EGBDRO Cc1ccc([C@@H]2CCC[C@H]2[N@@H+](C)Cc2c([N+](=O)[O-])ncn2C)cc1 ZINC000370045125 292214965 /nfs/dbraw/zinc/21/49/65/292214965.db2.gz JOMRFEMLEXVXTK-JKSUJKDBSA-N 1 0 328.416 3.405 20 5 EGBDRO C[C@@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)C[C@H](c2ccsc2)O1 ZINC000120609253 152287924 /nfs/dbraw/zinc/28/79/24/152287924.db2.gz VHZZUUGADKORSJ-CXAGYDPISA-N 1 0 348.424 3.497 20 5 EGBDRO CC(C)N(CC(F)(F)F)C(=O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000341581862 155366976 /nfs/dbraw/zinc/36/69/76/155366976.db2.gz DTKKCGKSJGVIIG-NSHDSACASA-N 1 0 347.337 3.045 20 5 EGBDRO O=[N+]([O-])c1cc(CNC[C@H]2CC[N@H+](Cc3ccccc3)C2)cs1 ZINC000192924824 153266917 /nfs/dbraw/zinc/26/69/17/153266917.db2.gz KSVBLTLZAHZDRV-OAHLLOKOSA-N 1 0 331.441 3.268 20 5 EGBDRO O=[N+]([O-])c1ccccc1OCC[NH+]1CCC(OC2CCCC2)CC1 ZINC000195328219 153396894 /nfs/dbraw/zinc/39/68/94/153396894.db2.gz WSPUOWHXODMNOJ-UHFFFAOYSA-N 1 0 334.416 3.397 20 5 EGBDRO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000249774595 153623916 /nfs/dbraw/zinc/62/39/16/153623916.db2.gz VPWNEQCJSRZNIB-XGUBFFRZSA-N 1 0 333.432 3.138 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[NH+](C2CCC(C)CC2)CC1 ZINC000303643986 154049929 /nfs/dbraw/zinc/04/99/29/154049929.db2.gz IDCFKZFMWYOZNV-UHFFFAOYSA-N 1 0 347.459 3.300 20 5 EGBDRO COc1ccc(NC(=O)CC[N@@H+]2CCCC(C)(C)CC2)c([N+](=O)[O-])c1 ZINC000303910279 154058667 /nfs/dbraw/zinc/05/86/67/154058667.db2.gz MQZGTYYNWWMQLY-UHFFFAOYSA-N 1 0 349.431 3.444 20 5 EGBDRO CC(C)(O)[C@@H]1CCC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000305698321 154105560 /nfs/dbraw/zinc/10/55/60/154105560.db2.gz CMIIUTUJMDNNLS-INIZCTEOSA-N 1 0 345.399 3.028 20 5 EGBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](CO)c2ccccc2)cc1[N+](=O)[O-] ZINC000305726452 154110836 /nfs/dbraw/zinc/11/08/36/154110836.db2.gz HIBWJTDZPYLDJJ-CZUORRHYSA-N 1 0 330.384 3.378 20 5 EGBDRO C[C@@H]1CCCC[N@@H+]1CCCNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000336875566 154226490 /nfs/dbraw/zinc/22/64/90/154226490.db2.gz IOXCXXDZHBKRTN-LLVKDONJSA-N 1 0 335.433 3.276 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(S(C)(=O)=O)cc2)cc1[N+](=O)[O-] ZINC000337598198 154438019 /nfs/dbraw/zinc/43/80/19/154438019.db2.gz QBRNANGGSPUWMX-ZDUSSCGKSA-N 1 0 348.424 3.158 20 5 EGBDRO [NH3+]CCN(Cc1cc(F)cc2cccnc21)c1ccccc1[N+](=O)[O-] ZINC000348931764 156291263 /nfs/dbraw/zinc/29/12/63/156291263.db2.gz BWOCERCTCZSIIN-UHFFFAOYSA-N 1 0 340.358 3.247 20 5 EGBDRO Cc1cc(F)ccc1C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000093534479 162015425 /nfs/dbraw/zinc/01/54/25/162015425.db2.gz MJFWJKWHPPZAIG-HNNXBMFYSA-N 1 0 330.363 3.124 20 5 EGBDRO C[C@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccccc1 ZINC000109146844 162094950 /nfs/dbraw/zinc/09/49/50/162094950.db2.gz VTMKLSHDCXEGRS-GUYCJALGSA-N 1 0 325.368 3.051 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CCc3cccnc3)cs2)c1 ZINC000113319995 162208753 /nfs/dbraw/zinc/20/87/53/162208753.db2.gz BOYFLPHZFOMKCI-UHFFFAOYSA-N 1 0 340.408 3.446 20 5 EGBDRO C[C@H]([NH2+][C@H]1CCN(c2ncccc2F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000126253429 162297976 /nfs/dbraw/zinc/29/79/76/162297976.db2.gz ZUFXGPGIZSAMOU-JSGCOSHPSA-N 1 0 330.363 3.058 20 5 EGBDRO COc1ccc(-c2ccc(C[NH+]3CCC(CO)CC3)o2)c([N+](=O)[O-])c1 ZINC000305737467 163080593 /nfs/dbraw/zinc/08/05/93/163080593.db2.gz VDQUYEYPFSTXAE-UHFFFAOYSA-N 1 0 346.383 3.068 20 5 EGBDRO COCCC[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000337075756 163122143 /nfs/dbraw/zinc/12/21/43/163122143.db2.gz QIFOYLQOFVENIM-UHFFFAOYSA-N 1 0 329.400 3.489 20 5 EGBDRO Cc1ccc([C@@H](C)NCc2ncnn2-c2ccccc2)cc1[N+](=O)[O-] ZINC000337198827 163160225 /nfs/dbraw/zinc/16/02/25/163160225.db2.gz ZZDBMVUPUCPMLN-CQSZACIVSA-N 1 0 337.383 3.335 20 5 EGBDRO Cc1cccc(C(=O)Nc2cccc(OCC[NH+](C)C)c2)c1[N+](=O)[O-] ZINC000337215976 163165421 /nfs/dbraw/zinc/16/54/21/163165421.db2.gz HJUNPHHIZUCAPW-UHFFFAOYSA-N 1 0 343.383 3.096 20 5 EGBDRO CCO[C@@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])C1(C)C ZINC000337256244 163182750 /nfs/dbraw/zinc/18/27/50/163182750.db2.gz SELVPMGXPPYQMQ-HZPDHXFCSA-N 1 0 349.431 3.059 20 5 EGBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C[C@@H]1C ZINC000354400229 166013416 /nfs/dbraw/zinc/01/34/16/166013416.db2.gz QLIOHIHYRCGUHA-GXTWGEPZSA-N 1 0 345.399 3.286 20 5 EGBDRO CC[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000343948612 164071766 /nfs/dbraw/zinc/07/17/66/164071766.db2.gz ZMTAGIVMIPMHJU-AWEZNQCLSA-N 1 0 349.431 3.444 20 5 EGBDRO CCO[C@@H]1C[C@@H]([NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])C1(CC)CC ZINC000344109516 164105355 /nfs/dbraw/zinc/10/53/55/164105355.db2.gz SKPYEWDTAAKLNO-HZPDHXFCSA-N 1 0 349.431 3.107 20 5 EGBDRO COc1cc(C[NH2+]C[C@@H](SC)C(C)(C)C)c([N+](=O)[O-])cc1OC ZINC000344337112 164160323 /nfs/dbraw/zinc/16/03/23/164160323.db2.gz TXECQWZFCCMTBE-OAHLLOKOSA-N 1 0 342.461 3.479 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000344604694 164198804 /nfs/dbraw/zinc/19/88/04/164198804.db2.gz UBWCDQGHHIWPDU-RVKKMQEKSA-N 1 0 347.459 3.441 20 5 EGBDRO CC(C)n1cc2c(n1)C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)CC2 ZINC000350252010 165022909 /nfs/dbraw/zinc/02/29/09/165022909.db2.gz OZLZFGFITHYTSO-CQSZACIVSA-N 1 0 332.379 3.158 20 5 EGBDRO CC[N@H+](Cc1cc(I)cc([N+](=O)[O-])c1)C1CC1 ZINC000351332633 165097969 /nfs/dbraw/zinc/09/79/69/165097969.db2.gz AMHCWCVHGMWQQQ-UHFFFAOYSA-N 1 0 346.168 3.184 20 5 EGBDRO C[NH+](C)CCN(C(=O)Nc1ccc([N+](=O)[O-])cc1F)C1CCCC1 ZINC000351611998 165103317 /nfs/dbraw/zinc/10/33/17/165103317.db2.gz UBOPUDKUPCCXAB-UHFFFAOYSA-N 1 0 338.383 3.072 20 5 EGBDRO CC[N@H+](CCC1CC1)[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000355039774 166090538 /nfs/dbraw/zinc/09/05/38/166090538.db2.gz OGSIQEISTQPHCM-LBPRGKRZSA-N 1 0 335.404 3.052 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CCC[C@H]([NH+]2CCCC2)C1 ZINC000352319453 165341556 /nfs/dbraw/zinc/34/15/56/165341556.db2.gz IYDWHQVWRHACBN-KRWDZBQOSA-N 1 0 333.432 3.054 20 5 EGBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)cc1 ZINC000352441394 165407023 /nfs/dbraw/zinc/40/70/23/165407023.db2.gz WYSISIHRCYKZSI-DLBZAZTESA-N 1 0 332.400 3.007 20 5 EGBDRO CC[C@H]1C[N@H+](Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C[C@@H]1O ZINC000355194226 166128649 /nfs/dbraw/zinc/12/86/49/166128649.db2.gz GKCIJXKHUNOPTL-SJCJKPOMSA-N 1 0 346.383 3.066 20 5 EGBDRO O=[N+]([O-])c1c[nH]c(-c2nc(-c3ccc(C[NH+]4CCCC4)cc3)no2)c1 ZINC000355598082 166255893 /nfs/dbraw/zinc/25/58/93/166255893.db2.gz OQISOVFYRLFBJE-UHFFFAOYSA-N 1 0 339.355 3.236 20 5 EGBDRO C[C@H]([NH2+]CCCN(C(=O)C1CCC1)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000358089264 166831856 /nfs/dbraw/zinc/83/18/56/166831856.db2.gz SZNNAVLCZJDOHQ-AWEZNQCLSA-N 1 0 345.443 3.427 20 5 EGBDRO Cc1c(CNC(=O)Nc2cccc(C[NH+](C)C)c2)cccc1[N+](=O)[O-] ZINC000359080815 167061841 /nfs/dbraw/zinc/06/18/41/167061841.db2.gz KCXIRGUGTWNFJX-UHFFFAOYSA-N 1 0 342.399 3.287 20 5 EGBDRO CCC[C@@H]1C[NH2+]CCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000359232780 167102046 /nfs/dbraw/zinc/10/20/46/167102046.db2.gz RIDADPXLQADIDJ-CYBMUJFWSA-N 1 0 333.413 3.024 20 5 EGBDRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1C)c1ccco1 ZINC000359549428 167189601 /nfs/dbraw/zinc/18/96/01/167189601.db2.gz WDJCSTANXFSSTD-DOMZBBRYSA-N 1 0 345.399 3.355 20 5 EGBDRO CC[C@H](C)[NH2+][C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)c1ccco1 ZINC000359561131 167194442 /nfs/dbraw/zinc/19/44/42/167194442.db2.gz QQHLRPKZUSCZPC-NHYWBVRUSA-N 1 0 349.362 3.186 20 5 EGBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000359779614 167229466 /nfs/dbraw/zinc/22/94/66/167229466.db2.gz XTDPQNXLWZUZIE-GFCCVEGCSA-N 1 0 339.461 3.167 20 5 EGBDRO COc1ccccc1[C@@H](CNc1ccc([N+](=O)[O-])c(OC)c1)[NH+](C)C ZINC000360245290 167281138 /nfs/dbraw/zinc/28/11/38/167281138.db2.gz MQJYMVFXPKXLRO-MRXNPFEDSA-N 1 0 345.399 3.327 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000366637495 168126187 /nfs/dbraw/zinc/12/61/87/168126187.db2.gz QYNPIPZUWLBRGO-MRXNPFEDSA-N 1 0 333.432 3.054 20 5 EGBDRO Cc1ccc([C@@H](C)NC(=O)NCC[N@H+](C)C2CCCC2)cc1[N+](=O)[O-] ZINC000176145927 265160288 /nfs/dbraw/zinc/16/02/88/265160288.db2.gz FYHRJLAGFNSBPR-CQSZACIVSA-N 1 0 348.447 3.138 20 5 EGBDRO C[C@@H]1[C@@H](c2ccccc2)CC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000177547933 265262619 /nfs/dbraw/zinc/26/26/19/265262619.db2.gz WERVVXCYQDNOGO-ZBFHGGJFSA-N 1 0 339.395 3.411 20 5 EGBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192954824 266000009 /nfs/dbraw/zinc/00/00/09/266000009.db2.gz CZBORGJLFVZUCP-MRXNPFEDSA-N 1 0 326.400 3.232 20 5 EGBDRO COCCO[C@@H]1CCCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000193550526 266042506 /nfs/dbraw/zinc/04/25/06/266042506.db2.gz VMDZGNHPCRZILT-OAHLLOKOSA-N 1 0 345.399 3.083 20 5 EGBDRO Cc1ccccc1[C@@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269672253 266337835 /nfs/dbraw/zinc/33/78/35/266337835.db2.gz VBGBZNSAUAQEIX-APWZRJJASA-N 1 0 326.396 3.426 20 5 EGBDRO CCN(CCC[NH+](CC)CC)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000276496531 267561383 /nfs/dbraw/zinc/56/13/83/267561383.db2.gz UADUCFBQGNFELE-UHFFFAOYSA-N 1 0 346.431 3.270 20 5 EGBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000278461734 268018956 /nfs/dbraw/zinc/01/89/56/268018956.db2.gz SSBVDDJREVQFAO-LLVKDONJSA-N 1 0 344.337 3.073 20 5 EGBDRO COc1cc(C[N@@H+]2CCC[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000180137354 274093745 /nfs/dbraw/zinc/09/37/45/274093745.db2.gz ZYIZUAMUSRLEIM-SNVBAGLBSA-N 1 0 330.331 3.232 20 5 EGBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C3CCC3)CC2)cc1C(F)(F)F ZINC000339680983 275036243 /nfs/dbraw/zinc/03/62/43/275036243.db2.gz WIVXOXSKHVEPLK-UHFFFAOYSA-N 1 0 329.322 3.288 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCN(c3ccccn3)C1)CCC2 ZINC000193048221 275038456 /nfs/dbraw/zinc/03/84/56/275038456.db2.gz VOUGHZZBIGJZMI-CRAIPNDOSA-N 1 0 338.411 3.236 20 5 EGBDRO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@]1(CO)Cc1ccccc1 ZINC000355741568 275039314 /nfs/dbraw/zinc/03/93/14/275039314.db2.gz ZULSMEHLRPVXHV-LJQANCHMSA-N 1 0 344.386 3.304 20 5 EGBDRO C[C@@H]1C[C@H](Nc2ccc(Br)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000090795078 275153426 /nfs/dbraw/zinc/15/34/26/275153426.db2.gz KDRAIFBAPATJII-MWLCHTKSSA-N 1 0 328.210 3.252 20 5 EGBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@]2(O)CCC[C@@H](C(F)(F)F)C2)c1 ZINC000189611129 275220110 /nfs/dbraw/zinc/22/01/10/275220110.db2.gz UNTZUCMVNAUESH-OCCSQVGLSA-N 1 0 332.322 3.168 20 5 EGBDRO Cc1cc(C[NH+](C)C)cc(NC(=O)c2cc(C)cc([N+](=O)[O-])c2N)c1 ZINC000270393371 275236825 /nfs/dbraw/zinc/23/68/25/275236825.db2.gz SNRWCYKSYQNRNG-UHFFFAOYSA-N 1 0 342.399 3.108 20 5 EGBDRO C[C@@H](CCn1cccn1)[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000279519056 275336755 /nfs/dbraw/zinc/33/67/55/275336755.db2.gz ODMSZPRUQCBJAC-NSHDSACASA-N 1 0 342.321 3.379 20 5 EGBDRO O=[N+]([O-])c1cc(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc(C(F)(F)F)c1 ZINC000279556973 275339844 /nfs/dbraw/zinc/33/98/44/275339844.db2.gz RKLAQOBEFPLHQX-ZIAGYGMSSA-N 1 0 343.349 3.330 20 5 EGBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(C[NH+](C)C)c2)c1 ZINC000282690264 275661202 /nfs/dbraw/zinc/66/12/02/275661202.db2.gz RIKIOLUVTLUOTP-UHFFFAOYSA-N 1 0 343.383 3.307 20 5 EGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCO[C@@H]2c2cccnc2)c(Cl)c1 ZINC000285186023 275854862 /nfs/dbraw/zinc/85/48/62/275854862.db2.gz VUBHKJZQCOFGHW-JKSUJKDBSA-N 1 0 333.775 3.263 20 5 EGBDRO Nc1ccc(NC[C@@H](c2cccs2)[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000285788856 275912586 /nfs/dbraw/zinc/91/25/86/275912586.db2.gz XHPYIRDWDXRMFA-HNNXBMFYSA-N 1 0 332.429 3.488 20 5 EGBDRO CCS[C@@H]1CCC[C@H]1[NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000286200698 275964393 /nfs/dbraw/zinc/96/43/93/275964393.db2.gz PZUWCYRLDNYMAC-KCPJHIHWSA-N 1 0 337.445 3.186 20 5 EGBDRO CCC(=O)c1ccc(N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000286562104 276016981 /nfs/dbraw/zinc/01/69/81/276016981.db2.gz WYELFFYGYPEKJQ-DZGCQCFKSA-N 1 0 331.416 3.251 20 5 EGBDRO CNC(=O)CC[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000286651551 276027547 /nfs/dbraw/zinc/02/75/47/276027547.db2.gz ZIQVANWCPCAALZ-ZDUSSCGKSA-N 1 0 339.823 3.129 20 5 EGBDRO CC(C)c1ccc(C[NH+]2CCC3(CCN(C)C3=O)CC2)cc1[N+](=O)[O-] ZINC000370085051 276052656 /nfs/dbraw/zinc/05/26/56/276052656.db2.gz RDKNNJSFDPATFQ-UHFFFAOYSA-N 1 0 345.443 3.163 20 5 EGBDRO O=[N+]([O-])c1cc2c(ncnc2N2CCC[C@H]([NH+]3CCCC3)CC2)s1 ZINC000287253686 276101083 /nfs/dbraw/zinc/10/10/83/276101083.db2.gz KGTUKWVHUHRZJQ-LBPRGKRZSA-N 1 0 347.444 3.054 20 5 EGBDRO CCn1c(C)nc([N+](=O)[O-])c1NCc1cccc(C[N@H+](C)CC)c1 ZINC000288271923 276196182 /nfs/dbraw/zinc/19/61/82/276196182.db2.gz ZHWWRWHEUPKJKG-UHFFFAOYSA-N 1 0 331.420 3.183 20 5 EGBDRO CC(C)OCC[NH+]1CCC(Nc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000288375356 276207618 /nfs/dbraw/zinc/20/76/18/276207618.db2.gz LKQHIZTXHKJWPG-UHFFFAOYSA-N 1 0 325.384 3.035 20 5 EGBDRO CC(C)[C@@H]([NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-])c1nncn1C ZINC000289569908 276359400 /nfs/dbraw/zinc/35/94/00/276359400.db2.gz SJWLQBOWMRDLCC-CZUORRHYSA-N 1 0 331.420 3.031 20 5 EGBDRO COCc1nc(C[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])cs1 ZINC000289759015 276389595 /nfs/dbraw/zinc/38/95/95/276389595.db2.gz LNRUPZCPUVETLV-LBPRGKRZSA-N 1 0 335.429 3.309 20 5 EGBDRO C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000290767832 276538876 /nfs/dbraw/zinc/53/88/76/276538876.db2.gz SBRJQAXKZMDSGU-CYBMUJFWSA-N 1 0 337.420 3.378 20 5 EGBDRO CC[C@H]([NH2+][C@@H]1CCC[C@@H]2CN(C(C)=O)C[C@H]21)c1cccc([N+](=O)[O-])c1 ZINC000343989910 288068257 /nfs/dbraw/zinc/06/82/57/288068257.db2.gz PQBKMHVVXOLXGN-OQIJWPOYSA-N 1 0 345.443 3.283 20 5 EGBDRO CCc1ccc(C(=O)N2CCCc3cc(C[NH3+])ccc32)cc1[N+](=O)[O-] ZINC000371285460 281395380 /nfs/dbraw/zinc/39/53/80/281395380.db2.gz SOSMRIUQYJGBSO-UHFFFAOYSA-N 1 0 339.395 3.209 20 5 EGBDRO Cc1ccccc1[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)C(C)C ZINC000183203494 302135505 /nfs/dbraw/zinc/13/55/05/302135505.db2.gz JWPDULDKLCKYPT-SFHVURJKSA-N 1 0 329.400 3.052 20 5 EGBDRO CC[NH+](CC)CCN(CC(C)C)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000065154432 307358226 /nfs/dbraw/zinc/35/82/26/307358226.db2.gz ZIVFCWQDNSATBZ-UHFFFAOYSA-N 1 0 339.411 3.174 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCc1nnc2n1CCCCC2 ZINC000126627575 307572383 /nfs/dbraw/zinc/57/23/83/307572383.db2.gz DPOMXKMJQYTFRN-CQSZACIVSA-N 1 0 343.431 3.114 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCOc1ncc(Cl)cc1Cl ZINC000134476316 307688119 /nfs/dbraw/zinc/68/81/19/307688119.db2.gz BFXCNISJBMLYOE-UHFFFAOYSA-N 1 0 342.182 3.465 20 5 EGBDRO COc1ccc([C@H](CO)C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000414181755 309065267 /nfs/dbraw/zinc/06/52/67/309065267.db2.gz MTVWXGMXJHKAIN-PBHICJAKSA-N 1 0 344.411 3.339 20 5 EGBDRO C[NH2+]CCCNCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000414860319 309105898 /nfs/dbraw/zinc/10/58/98/309105898.db2.gz PIOUSUWWUXZBBL-UHFFFAOYSA-N 1 0 333.363 3.225 20 5 EGBDRO CC[C@H]1CCCC[C@H]1[NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000163206428 307920683 /nfs/dbraw/zinc/92/06/83/307920683.db2.gz CFXICPQGOIYAFW-DZGCQCFKSA-N 1 0 347.415 3.451 20 5 EGBDRO CCC(C)(C)[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248468648 308004048 /nfs/dbraw/zinc/00/40/48/308004048.db2.gz UETZFJMLDHKXRR-PBHICJAKSA-N 1 0 336.432 3.235 20 5 EGBDRO CC[C@H]([NH2+][C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CCCO1 ZINC000248639468 308008238 /nfs/dbraw/zinc/00/82/38/308008238.db2.gz YYUZLOGPUIVPIX-UGFHNGPFSA-N 1 0 346.387 3.253 20 5 EGBDRO Cc1ccc([C@H](C)NC(=O)C[C@H](C)[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000262624816 308064883 /nfs/dbraw/zinc/06/48/83/308064883.db2.gz KPJYRASVVROGFW-DZKIICNBSA-N 1 0 333.432 3.106 20 5 EGBDRO CO[C@@H](C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CC1 ZINC000293065663 308095832 /nfs/dbraw/zinc/09/58/32/308095832.db2.gz SOCRJYWFZDKDDB-HNNXBMFYSA-N 1 0 333.413 3.233 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3CCC[C@@H](CO)CC3)o2)c1 ZINC000294155106 308195361 /nfs/dbraw/zinc/19/53/61/308195361.db2.gz VQFULVLFOBHUQP-CQSZACIVSA-N 1 0 330.384 3.449 20 5 EGBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([S@](C)=O)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294678561 308244874 /nfs/dbraw/zinc/24/48/74/308244874.db2.gz IBKKLHROYACTRM-ZBWQRKBMSA-N 1 0 347.440 3.326 20 5 EGBDRO C[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccccc1F ZINC000294955845 308275839 /nfs/dbraw/zinc/27/58/39/308275839.db2.gz BFGHFNFUPVXOBA-STQMWFEESA-N 1 0 345.374 3.089 20 5 EGBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc(C2([NH3+])CCCC2)no1 ZINC000414611893 309091481 /nfs/dbraw/zinc/09/14/81/309091481.db2.gz CZPYUPDGOXIMBP-ZDUSSCGKSA-N 1 0 330.388 3.442 20 5 EGBDRO CCOc1ccc([C@@H](C)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1[N+](=O)[O-] ZINC000296029867 308386658 /nfs/dbraw/zinc/38/66/58/308386658.db2.gz SSWHLOIJINJBPM-OHRKKDJYSA-N 1 0 333.432 3.269 20 5 EGBDRO O=[N+]([O-])c1cc(F)c(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)c(F)c1 ZINC000296138028 308397607 /nfs/dbraw/zinc/39/76/07/308397607.db2.gz XBJTYSSJZIHDSQ-HFBAOOFYSA-N 1 0 338.354 3.310 20 5 EGBDRO CC[NH+](CC)CCN(Cc1cccs1)c1ncc([N+](=O)[O-])c(C)n1 ZINC000297625350 308551311 /nfs/dbraw/zinc/55/13/11/308551311.db2.gz WSINRYPNQREIOS-UHFFFAOYSA-N 1 0 349.460 3.103 20 5 EGBDRO CCCc1cc(NCCn2cc([N+](=O)[O-])cn2)c2ccccc2[nH+]1 ZINC000301763912 308714307 /nfs/dbraw/zinc/71/43/07/308714307.db2.gz ALJKEWBTJRBBPF-UHFFFAOYSA-N 1 0 325.372 3.404 20 5 EGBDRO CC[NH+]1CCN(c2cccc(Nc3nccc(C)c3[N+](=O)[O-])c2)CC1 ZINC000302256815 308735259 /nfs/dbraw/zinc/73/52/59/308735259.db2.gz ONBANPFMYRZQOV-UHFFFAOYSA-N 1 0 341.415 3.184 20 5 EGBDRO COc1cc(C[NH2+][C@@H](C)[C@@](C)(OC)C2CC2)c([N+](=O)[O-])cc1F ZINC000411974280 308960046 /nfs/dbraw/zinc/96/00/46/308960046.db2.gz TUITXDBFKYICGI-MGPLVRAMSA-N 1 0 326.368 3.036 20 5 EGBDRO CO[C@](C)([C@H](C)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C1CC1 ZINC000411977013 308960204 /nfs/dbraw/zinc/96/02/04/308960204.db2.gz XMECQBFWZMZPQW-SCLBCKFNSA-N 1 0 349.431 3.025 20 5 EGBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1c1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413278134 309024776 /nfs/dbraw/zinc/02/47/76/309024776.db2.gz FYSOKSTUEVRQNG-JQWIXIFHSA-N 1 0 344.337 3.072 20 5 EGBDRO C[C@@H]1CN(c2nccc3ccc([N+](=O)[O-])cc32)CC[N@@H+](C2CC2)C1 ZINC000413328597 309027061 /nfs/dbraw/zinc/02/70/61/309027061.db2.gz NPOYULJVLBFIOQ-ZDUSSCGKSA-N 1 0 326.400 3.064 20 5 EGBDRO C[C@H](C[NH3+])NCc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000414924072 309109623 /nfs/dbraw/zinc/10/96/23/309109623.db2.gz GFIHZNRSTNCOED-LLVKDONJSA-N 1 0 335.791 3.477 20 5 EGBDRO [NH3+]C[C@H](NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C1CCCC1 ZINC000415043668 309116232 /nfs/dbraw/zinc/11/62/32/309116232.db2.gz AWBNZHCHCIEVLQ-KRWDZBQOSA-N 1 0 329.400 3.462 20 5 EGBDRO [NH3+][C@H]1Cc2ccccc2N(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000415140499 309123431 /nfs/dbraw/zinc/12/34/31/309123431.db2.gz UCEYXFLHPXGWOU-ZDUSSCGKSA-N 1 0 349.337 3.086 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000415291183 309129968 /nfs/dbraw/zinc/12/99/68/309129968.db2.gz FRFYPIOJDQHBQV-HDJSIYSDSA-N 1 0 334.420 3.098 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000415507326 309135577 /nfs/dbraw/zinc/13/55/77/309135577.db2.gz SVSPOOIVOHKYKI-UHFFFAOYSA-N 1 0 342.399 3.286 20 5 EGBDRO CN(C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)C(C)(C)C[NH+]1CCCC1 ZINC000416109873 309159014 /nfs/dbraw/zinc/15/90/14/309159014.db2.gz SLLKXFCILBDBDJ-DLBZAZTESA-N 1 0 345.443 3.031 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1CCc3c[nH]nc3C1)CCCC2 ZINC000417308279 309201123 /nfs/dbraw/zinc/20/11/23/309201123.db2.gz HVWOYXDUGWUNAG-WMLDXEAASA-N 1 0 326.400 3.233 20 5 EGBDRO CCC[C@@H]([NH2+][C@@H]1CCN(CC(F)F)C1)c1cccc([N+](=O)[O-])c1 ZINC000417381047 309203750 /nfs/dbraw/zinc/20/37/50/309203750.db2.gz HYRDLSOCJBXPCA-UKRRQHHQSA-N 1 0 327.375 3.365 20 5 EGBDRO CC(C)(NC(=O)N[C@H](C[NH3+])C1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000418376203 309244587 /nfs/dbraw/zinc/24/45/87/309244587.db2.gz IGXKNGHDRQJOJP-OAHLLOKOSA-N 1 0 348.447 3.037 20 5 EGBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000418395233 309244969 /nfs/dbraw/zinc/24/49/69/309244969.db2.gz AFOJSAOFOHWARR-WBVHZDCISA-N 1 0 348.447 3.032 20 5 EGBDRO O=C(NCCC[NH2+]C1CCCCC1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000419907256 309273200 /nfs/dbraw/zinc/27/32/00/309273200.db2.gz FHKRJAGRKIPLNR-UHFFFAOYSA-N 1 0 345.399 3.383 20 5 EGBDRO Cc1cc(N2CCC[C@H](CC[NH3+])C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420238177 309277900 /nfs/dbraw/zinc/27/79/00/309277900.db2.gz GWHNAEPABMQUEE-LLVKDONJSA-N 1 0 331.338 3.487 20 5 EGBDRO [NH3+][C@@H]1CCC[C@H](CNc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000420291594 309279620 /nfs/dbraw/zinc/27/96/20/309279620.db2.gz VUIIQQNJFOUNBC-GXSJLCMTSA-N 1 0 328.210 3.287 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000421517616 309328127 /nfs/dbraw/zinc/32/81/27/309328127.db2.gz NOGBUFVQSHFBRV-UHFFFAOYSA-N 1 0 333.432 3.063 20 5 EGBDRO [NH3+]C1(CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CCCCCC1 ZINC000422741986 309366198 /nfs/dbraw/zinc/36/61/98/309366198.db2.gz QPURJCLANDRSBU-UHFFFAOYSA-N 1 0 325.796 3.030 20 5 EGBDRO C[C@H](NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H]1CCCC[NH2+]1 ZINC000423085958 309385101 /nfs/dbraw/zinc/38/51/01/309385101.db2.gz LAASQCJPFSXGMA-IINYFYTJSA-N 1 0 331.338 3.234 20 5 EGBDRO Cc1ccc([C@@H](C)NC(=O)c2ccc([C@@H](C)[NH3+])cc2)cc1[N+](=O)[O-] ZINC000423284254 309394036 /nfs/dbraw/zinc/39/40/36/309394036.db2.gz WVFCNGHVDUXYHZ-CHWSQXEVSA-N 1 0 327.384 3.414 20 5 EGBDRO CC[NH2+][C@H](C)CN[C@H](c1ccc(CC)o1)c1ccc([N+](=O)[O-])cc1 ZINC000423384781 309397937 /nfs/dbraw/zinc/39/79/37/309397937.db2.gz QMFZMAQPXBOZDQ-ACJLOTCBSA-N 1 0 331.416 3.427 20 5 EGBDRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000424420511 309442950 /nfs/dbraw/zinc/44/29/50/309442950.db2.gz WAZYMQAPQANPTR-GHMZBOCLSA-N 1 0 346.309 3.005 20 5 EGBDRO CCC1(CC)[C@H]([NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1OC ZINC000429287446 309576999 /nfs/dbraw/zinc/57/69/99/309576999.db2.gz UHUJYLANYWKWFC-CVEARBPZSA-N 1 0 349.431 3.107 20 5 EGBDRO O=C(NCC[NH2+]C1CCCCCC1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000429553394 309584428 /nfs/dbraw/zinc/58/44/28/309584428.db2.gz NUVGSOUSLDWKNW-UHFFFAOYSA-N 1 0 345.399 3.383 20 5 EGBDRO C[NH+](C)C1(CNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CCCCC1 ZINC000429933492 309592901 /nfs/dbraw/zinc/59/29/01/309592901.db2.gz XCXBXLXKORZBBZ-UHFFFAOYSA-N 1 0 347.459 3.253 20 5 EGBDRO Cc1cc(C(=O)NCC2CC[NH+](CCC(C)C)CC2)ccc1[N+](=O)[O-] ZINC000431552172 309636274 /nfs/dbraw/zinc/63/62/74/309636274.db2.gz GAJTZTWARBPEFZ-UHFFFAOYSA-N 1 0 347.459 3.391 20 5 EGBDRO CC1(C)CCc2ccccc2[C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C1 ZINC000436305566 309752251 /nfs/dbraw/zinc/75/22/51/309752251.db2.gz HOLGYMVWIKSBPQ-KRWDZBQOSA-N 1 0 328.416 3.485 20 5 EGBDRO CC(C)C[NH+]1CCN(C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000439245857 309829055 /nfs/dbraw/zinc/82/90/55/309829055.db2.gz BDEHJEOAMSCHGP-UHFFFAOYSA-N 1 0 333.432 3.132 20 5 EGBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]Cc2cc(F)cc(F)c2)n1 ZINC000447548116 309981864 /nfs/dbraw/zinc/98/18/64/309981864.db2.gz GFRZPSXNAICGQF-GJZGRUSLSA-N 1 0 336.342 3.343 20 5 EGBDRO Cc1cnc([C@H](C)C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)s1 ZINC000447607463 309984379 /nfs/dbraw/zinc/98/43/79/309984379.db2.gz SJMWRLLUTXHLQP-XBFCOCLRSA-N 1 0 349.460 3.433 20 5 EGBDRO Cc1cccc(CC[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000449026398 310030365 /nfs/dbraw/zinc/03/03/65/310030365.db2.gz FQNMRLHHIQJHDS-MRXNPFEDSA-N 1 0 326.400 3.027 20 5 EGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](CO)Cc1ccc(F)cc1 ZINC000449094816 310036681 /nfs/dbraw/zinc/03/66/81/310036681.db2.gz UKBIQYKPGNRKQY-HOCLYGCPSA-N 1 0 346.402 3.106 20 5 EGBDRO Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449175943 310042329 /nfs/dbraw/zinc/04/23/29/310042329.db2.gz PKQJEWQFFNQYMU-STQMWFEESA-N 1 0 330.432 3.097 20 5 EGBDRO COc1ccc2c(c1)OC[C@H]([NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])C2 ZINC000449212244 310044834 /nfs/dbraw/zinc/04/48/34/310044834.db2.gz ZLZGCQLENMGKFU-CZUORRHYSA-N 1 0 342.395 3.128 20 5 EGBDRO CSCC1CCC([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000449283051 310049948 /nfs/dbraw/zinc/04/99/48/310049948.db2.gz JVXCWOKRFQMPMD-UHFFFAOYSA-N 1 0 334.445 3.483 20 5 EGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+](C)[C@H]1CCO[C@@H]1c1cccnc1 ZINC000449312964 310052531 /nfs/dbraw/zinc/05/25/31/310052531.db2.gz SXYGRVFKXYHFCP-MDASCCDHSA-N 1 0 341.411 3.383 20 5 EGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@](C)(CO)c1ccccc1 ZINC000449320718 310053127 /nfs/dbraw/zinc/05/31/27/310053127.db2.gz OYKOMTBZFGOCPP-HNAYVOBHSA-N 1 0 328.412 3.066 20 5 EGBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CCCC1(F)F ZINC000449497360 310066942 /nfs/dbraw/zinc/06/69/42/310066942.db2.gz RCQSVABKUKFEAB-NEPJUHHUSA-N 1 0 341.358 3.337 20 5 EGBDRO [NH3+][C@@H]1CCC[C@H](CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000449643140 310076920 /nfs/dbraw/zinc/07/69/20/310076920.db2.gz YPLVDPJFFIYXBQ-CMPLNLGQSA-N 1 0 333.413 3.057 20 5 EGBDRO COCCC[NH+]1CCC(Nc2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000450301417 310114241 /nfs/dbraw/zinc/11/42/41/310114241.db2.gz FUKVCRRMEGWQNU-UHFFFAOYSA-N 1 0 344.415 3.056 20 5 EGBDRO CC[N@H+](C)C[C@H]1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)C1 ZINC000450364913 310118189 /nfs/dbraw/zinc/11/81/89/310118189.db2.gz ZOTFOEFYNOCCIK-CYBMUJFWSA-N 1 0 346.456 3.496 20 5 EGBDRO C[C@@H]1CN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)[C@@H](C)C[N@@H+]1C ZINC000450415450 310121095 /nfs/dbraw/zinc/12/10/95/310121095.db2.gz BHUJRMCURQVXKM-NEPJUHHUSA-N 1 0 332.429 3.247 20 5 EGBDRO Cc1cc(N2CC[C@@H]3C[C@@H](O)CC[C@H]3C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000450813655 310143880 /nfs/dbraw/zinc/14/38/80/310143880.db2.gz OYZSEAHIDVUDLP-YCPHGPKFSA-N 1 0 341.411 3.439 20 5 EGBDRO C[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000451100429 310160473 /nfs/dbraw/zinc/16/04/73/310160473.db2.gz TXLRNKUEWFIQDR-AYMQEEERSA-N 1 0 333.432 3.329 20 5 EGBDRO Cc1ccccc1CNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000451107863 310160944 /nfs/dbraw/zinc/16/09/44/310160944.db2.gz UEKXRBLMJGSWHV-LSDHHAIUSA-N 1 0 341.411 3.259 20 5 EGBDRO CC1(C)[C@H]([NH2+]Cc2c(F)cc([N+](=O)[O-])cc2F)[C@@H]2CCCO[C@@H]21 ZINC000451474277 310180060 /nfs/dbraw/zinc/18/00/60/310180060.db2.gz AJVGHNPHLIJQJR-VQISRLSMSA-N 1 0 326.343 3.166 20 5 EGBDRO CCOc1cc(C[NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)ccc1[N+](=O)[O-] ZINC000451482580 310180541 /nfs/dbraw/zinc/18/05/41/310180541.db2.gz WFCAMMGAYSCNLS-KBRIMQKVSA-N 1 0 334.416 3.287 20 5 EGBDRO CC(C)O[C@H]1C[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1(C)C ZINC000451487944 310180823 /nfs/dbraw/zinc/18/08/23/310180823.db2.gz ACNHHHDVZJRFQO-GJZGRUSLSA-N 1 0 332.404 3.153 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000451505206 310181598 /nfs/dbraw/zinc/18/15/98/310181598.db2.gz SPFBPVFUBKZQJD-JQHSSLGASA-N 1 0 346.427 3.429 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](Cc3cn4cccnc4n3)C2)cc1 ZINC000451550066 310185615 /nfs/dbraw/zinc/18/56/15/310185615.db2.gz QSELYLMXZKXKEH-OAHLLOKOSA-N 1 0 337.383 3.017 20 5 EGBDRO Cc1cc(F)ccc1[C@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000451991800 310206779 /nfs/dbraw/zinc/20/67/79/310206779.db2.gz NKMRQFMXMPMXGC-QGZVFWFLSA-N 1 0 345.374 3.041 20 5 EGBDRO CCn1ccnc1[C@@H](C)[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000453353285 310272560 /nfs/dbraw/zinc/27/25/60/310272560.db2.gz NQCZKFTZSULMJE-CZUORRHYSA-N 1 0 328.416 3.483 20 5 EGBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1CCOC(C)(C)C1 ZINC000453445286 310277519 /nfs/dbraw/zinc/27/75/19/310277519.db2.gz YHPRNTSGWUARCN-KBPBESRZSA-N 1 0 349.431 3.107 20 5 EGBDRO CCO[C@@H]1C[C@@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])[C@H]1SC ZINC000459467365 310554709 /nfs/dbraw/zinc/55/47/09/310554709.db2.gz RVPZLHNUUAITLF-BPLDGKMQSA-N 1 0 344.864 3.289 20 5 EGBDRO CCC[C@@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)C1CCC1 ZINC000459801259 310576278 /nfs/dbraw/zinc/57/62/78/310576278.db2.gz KTOITMRFZIDQFY-OAHLLOKOSA-N 1 0 349.431 3.490 20 5 EGBDRO COC(=O)C[C@@H]1CC[C@@H]([NH2+]CCCCc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000474801179 310799558 /nfs/dbraw/zinc/79/95/58/310799558.db2.gz XBOBDAGOHDHZLV-UWWQBHOKSA-N 1 0 348.443 3.485 20 5 EGBDRO O=C(/C=C\c1cccc([N+](=O)[O-])c1)N1CCC([NH+]2CCCCC2)CC1 ZINC000491236009 311169519 /nfs/dbraw/zinc/16/95/19/311169519.db2.gz DRVVGYGZHUWSQJ-FPLPWBNLSA-N 1 0 343.427 3.085 20 5 EGBDRO CC[N@H+](CCNc1cccc(OC)c1[N+](=O)[O-])CCC(F)(F)F ZINC000491550316 311184357 /nfs/dbraw/zinc/18/43/57/311184357.db2.gz XPUIJKWRZMNPKY-UHFFFAOYSA-N 1 0 335.326 3.290 20 5 EGBDRO CCCC[NH+]1CCC(NC(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000491647437 311186971 /nfs/dbraw/zinc/18/69/71/311186971.db2.gz WLIXVJZMCXYXTG-ALCCZGGFSA-N 1 0 349.406 3.128 20 5 EGBDRO COC(=O)[C@H]1CCCC[C@@]1(C)[NH2+]Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000492175121 311223960 /nfs/dbraw/zinc/22/39/60/311223960.db2.gz GACZNWJYHAZLST-MLGOLLRUSA-N 1 0 340.807 3.460 20 5 EGBDRO CC1(C)CCC[C@@H]1[NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000492938737 311309476 /nfs/dbraw/zinc/30/94/76/311309476.db2.gz VZAOTTLIROJYIC-HNNXBMFYSA-N 1 0 333.388 3.061 20 5 EGBDRO COC(=O)N1CCC(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000495691004 311596997 /nfs/dbraw/zinc/59/69/97/311596997.db2.gz OOEQEOYJIWIMHC-ZDUSSCGKSA-N 1 0 335.404 3.032 20 5 EGBDRO COC(=O)N1CCC[C@H]([C@@H](C)[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000496128814 311665973 /nfs/dbraw/zinc/66/59/73/311665973.db2.gz ZKOUTOCAYFNPFE-DVOMOZLQSA-N 1 0 347.415 3.039 20 5 EGBDRO CC1CC[NH+](CCNC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 ZINC000498366891 311882888 /nfs/dbraw/zinc/88/28/88/311882888.db2.gz YRDNUYRBAKGOMM-UHFFFAOYSA-N 1 0 347.459 3.354 20 5 EGBDRO CC(C)C(=O)NC1CC[NH+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000507167601 312061079 /nfs/dbraw/zinc/06/10/79/312061079.db2.gz MRUMKPXMWNWBCJ-UHFFFAOYSA-N 1 0 347.459 3.455 20 5 EGBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H](O)CCc1ccccc1 ZINC000511139289 312155385 /nfs/dbraw/zinc/15/53/85/312155385.db2.gz QCLHFNBTOLIQSK-SFHVURJKSA-N 1 0 328.412 3.063 20 5 EGBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)[C@H]1CCc2ccccc2C1 ZINC000512318422 312182805 /nfs/dbraw/zinc/18/28/05/312182805.db2.gz OZWHXIIUKWNAAZ-KRWDZBQOSA-N 1 0 326.396 3.463 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCO[C@H](c2ccnn2C)C1 ZINC000514712384 312240168 /nfs/dbraw/zinc/24/01/68/312240168.db2.gz YXLZBIQCBNOHNB-DEYYWGMASA-N 1 0 344.415 3.208 20 5 EGBDRO C[C@@H](C(=O)N1CC[NH+](CCC(C)(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000515265620 312273788 /nfs/dbraw/zinc/27/37/88/312273788.db2.gz KIIOKGLNHQTDOD-OAHLLOKOSA-N 1 0 347.459 3.279 20 5 EGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCCN3c4ccccc4C[C@@H]3C2)c(F)c1 ZINC000515714435 312295163 /nfs/dbraw/zinc/29/51/63/312295163.db2.gz TUHBHQXCJNTZGW-QGZVFWFLSA-N 1 0 341.386 3.371 20 5 EGBDRO CC[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000516937262 312352554 /nfs/dbraw/zinc/35/25/54/312352554.db2.gz AQDRUMZTLYNKRV-WYWHKVEHSA-N 1 0 336.457 3.252 20 5 EGBDRO CC(C)Oc1nc(N2CC[C@H](C[NH+]3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000517245888 312371771 /nfs/dbraw/zinc/37/17/71/312371771.db2.gz FDQNBDOGNANAIF-OAHLLOKOSA-N 1 0 348.447 3.089 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](O)COc1ccccc1 ZINC000527038637 312819964 /nfs/dbraw/zinc/81/99/64/312819964.db2.gz LFUNKOMXAOOPII-SPQRHKFCSA-N 1 0 342.395 3.028 20 5 EGBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H](CO)Cc2ccco2)cc1[N+](=O)[O-] ZINC000536625659 314132074 /nfs/dbraw/zinc/13/20/74/314132074.db2.gz LYHGPCDUGRRHPD-ZIAGYGMSSA-N 1 0 348.399 3.088 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCNC(=O)c1ccccc1F ZINC000537962108 314220412 /nfs/dbraw/zinc/22/04/12/314220412.db2.gz KZMLOIRDBBNQPX-CYBMUJFWSA-N 1 0 345.374 3.123 20 5 EGBDRO C[C@H]1CN(C)CC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000538730027 314271763 /nfs/dbraw/zinc/27/17/63/314271763.db2.gz ZCADWNCGSOHARI-ZDUSSCGKSA-N 1 0 331.441 3.459 20 5 EGBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@H]2CCCOc3ccccc32)cc1 ZINC000539068882 314293641 /nfs/dbraw/zinc/29/36/41/314293641.db2.gz IHTSDBZMGCTSSS-KRWDZBQOSA-N 1 0 328.368 3.477 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCOCC(F)(F)F)C1CC1 ZINC000539077213 314294707 /nfs/dbraw/zinc/29/47/07/314294707.db2.gz ZPOFMRGUSWKGEQ-ZDUSSCGKSA-N 1 0 332.322 3.084 20 5 EGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@@H](O)CCc1ccccc1 ZINC000544347539 314689125 /nfs/dbraw/zinc/68/91/25/314689125.db2.gz JPLYEQJSIRSZHU-TWVNLXSWSA-N 1 0 326.396 3.191 20 5 EGBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1CCCCS1 ZINC000544383645 314691367 /nfs/dbraw/zinc/69/13/67/314691367.db2.gz DPSFDDMEYKMOFU-DOMZBBRYSA-N 1 0 337.445 3.187 20 5 EGBDRO C[C@@H]1CCC[C@]1(O)C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000552406630 315218750 /nfs/dbraw/zinc/21/87/50/315218750.db2.gz HIPHQFLEYSVDOD-RRIFGTCXSA-N 1 0 332.444 3.447 20 5 EGBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CC[C@H]([C@H]3CCOC3)C2)c1 ZINC000555414414 315382896 /nfs/dbraw/zinc/38/28/96/315382896.db2.gz NYFWVGLRYLEWSG-RYUDHWBXSA-N 1 0 344.333 3.472 20 5 EGBDRO C[C@H]([NH2+]C[C@@H]1CN(c2ccccc2)CCO1)c1ccc([N+](=O)[O-])cc1 ZINC000563366930 316008448 /nfs/dbraw/zinc/00/84/48/316008448.db2.gz VITSWRGUQQHFFR-HNAYVOBHSA-N 1 0 341.411 3.151 20 5 EGBDRO C[C@@H]1CCC[C@@]1(O)C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000563978780 316099813 /nfs/dbraw/zinc/09/98/13/316099813.db2.gz MRQSWAZKGKDQSK-FZKQIMNGSA-N 1 0 330.384 3.496 20 5 EGBDRO Cn1c2ccccc2cc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])c1=O ZINC000570107579 317008808 /nfs/dbraw/zinc/00/88/08/317008808.db2.gz SBBMUQONTHSEPD-QGZVFWFLSA-N 1 0 349.390 3.224 20 5 EGBDRO Cc1cc(N2CC[C@@]3(C2)CCC[N@@H+](C)C3)c2cccc([N+](=O)[O-])c2n1 ZINC000571179846 317162943 /nfs/dbraw/zinc/16/29/43/317162943.db2.gz HEWOVBVDGRQVDL-IBGZPJMESA-N 1 0 340.427 3.374 20 5 EGBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000572796297 317392385 /nfs/dbraw/zinc/39/23/85/317392385.db2.gz CWTVTFXTLRLFBA-MWDXBVQZSA-N 1 0 348.443 3.283 20 5 EGBDRO COc1cc(C[N@@H+]2CCC[C@@H](CSC)C2)c([N+](=O)[O-])cc1F ZINC000292524365 455687580 /nfs/dbraw/zinc/68/75/80/455687580.db2.gz WODTVDCTCAZMQP-LLVKDONJSA-N 1 0 328.409 3.318 20 5 EGBDRO C[C@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CCCCC1 ZINC000182688141 323569448 /nfs/dbraw/zinc/56/94/48/323569448.db2.gz HXCGQDDVLMUEHU-ZDUSSCGKSA-N 1 0 331.416 3.042 20 5 EGBDRO Cc1cc(NC(=O)N(CC[NH+](C)C)C2CCCC2)ccc1[N+](=O)[O-] ZINC000193632715 323840577 /nfs/dbraw/zinc/84/05/77/323840577.db2.gz QJEPVLBBUGFLCT-UHFFFAOYSA-N 1 0 334.420 3.241 20 5 EGBDRO Cc1c(C[NH2+]C2CCC(O)(C(F)(F)F)CC2)cccc1[N+](=O)[O-] ZINC000396349130 324293865 /nfs/dbraw/zinc/29/38/65/324293865.db2.gz FLZJRKNFIMEDDU-UHFFFAOYSA-N 1 0 332.322 3.229 20 5 EGBDRO CN(C)[C@@H](C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccccc1 ZINC000575136872 324425370 /nfs/dbraw/zinc/42/53/70/324425370.db2.gz MMGITLZNHMZWIX-HKUYNNGSSA-N 1 0 325.412 3.475 20 5 EGBDRO CCCC[NH+]1CCC(NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000578829213 325023190 /nfs/dbraw/zinc/02/31/90/325023190.db2.gz ZQPQMZNZAPDQDD-CQSZACIVSA-N 1 0 333.432 3.079 20 5 EGBDRO CC(C)Oc1nc(N2CCC[N@@H+](C3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000580450599 325252858 /nfs/dbraw/zinc/25/28/58/325252858.db2.gz MRAXSMJQAVHOHB-UHFFFAOYSA-N 1 0 348.447 3.232 20 5 EGBDRO COC(=O)C(C)(C)CC[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000581277848 325348292 /nfs/dbraw/zinc/34/82/92/325348292.db2.gz JUPNQWSGNBQFLB-HOCLYGCPSA-N 1 0 348.443 3.485 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CC(=O)N(c2ccccc2)C1 ZINC000582395054 325437592 /nfs/dbraw/zinc/43/75/92/325437592.db2.gz NDDVNBASDUBDPD-GJZGRUSLSA-N 1 0 339.395 3.359 20 5 EGBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@]1(O)CCC[C@H](C(F)(F)F)C1 ZINC000189627242 455224558 /nfs/dbraw/zinc/22/45/58/455224558.db2.gz YNNRSRUIKIKMNB-JSGCOSHPSA-N 1 0 332.322 3.168 20 5 EGBDRO Cc1c(C[NH2+][C@@H](C[S@@](C)=O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000183089112 455226714 /nfs/dbraw/zinc/22/67/14/455226714.db2.gz YYGWPJWVKBHTEO-QMHKHESXSA-N 1 0 332.425 3.113 20 5 EGBDRO CC(C)CN(CC[NH+](C)C)C(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000189712848 455233734 /nfs/dbraw/zinc/23/37/34/455233734.db2.gz BNVFXDMBJFDDPK-UHFFFAOYSA-N 1 0 335.448 3.378 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)c1 ZINC000173156150 455240472 /nfs/dbraw/zinc/24/04/72/455240472.db2.gz YPPBLXAXVBBKCL-KRWDZBQOSA-N 1 0 345.374 3.075 20 5 EGBDRO Cc1cccc([C@@H]([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)C(C)(C)C)c1 ZINC000180788560 455245235 /nfs/dbraw/zinc/24/52/35/455245235.db2.gz RTPVMGJVAOKQCK-GOSISDBHSA-N 1 0 343.427 3.442 20 5 EGBDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000264634493 455253054 /nfs/dbraw/zinc/25/30/54/455253054.db2.gz DKTPCRBKCGLYPI-CQSZACIVSA-N 1 0 333.432 3.225 20 5 EGBDRO Cc1ccnc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000616758006 460615958 /nfs/dbraw/zinc/61/59/58/460615958.db2.gz YAXIDLFNVQTKMM-UHFFFAOYSA-N 1 0 327.384 3.342 20 5 EGBDRO COc1ccc(NC(=O)CC[N@H+](C)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000026157229 453793230 /nfs/dbraw/zinc/79/32/30/453793230.db2.gz FJTVVPJOHQDKKI-UHFFFAOYSA-N 1 0 343.383 3.064 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000026156186 453793488 /nfs/dbraw/zinc/79/34/88/453793488.db2.gz PFSKGCAEYRWUGY-UHFFFAOYSA-N 1 0 339.395 3.290 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@H]1CCC[C@@H](C)C1 ZINC000026468037 453800919 /nfs/dbraw/zinc/80/09/19/453800919.db2.gz VEFKNUPPZXBDNP-OLZOCXBDSA-N 1 0 335.404 3.052 20 5 EGBDRO CCc1ccc(C[N@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000026712192 453804351 /nfs/dbraw/zinc/80/43/51/453804351.db2.gz SKSIPEXDTHUMPR-SFHVURJKSA-N 1 0 344.411 3.029 20 5 EGBDRO C[C@@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)[NH+]1CCCC1 ZINC000052641302 453840685 /nfs/dbraw/zinc/84/06/85/453840685.db2.gz BVEOSHDTSRFKAT-NSHDSACASA-N 1 0 333.413 3.024 20 5 EGBDRO C[C@@H]1c2ccsc2CC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000052816787 453845834 /nfs/dbraw/zinc/84/58/34/453845834.db2.gz VKKPUBRTLPIQLD-OCCSQVGLSA-N 1 0 348.424 3.015 20 5 EGBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)CCc1ccccc1 ZINC000053047865 453854692 /nfs/dbraw/zinc/85/46/92/453854692.db2.gz LYJWMNDCJSFEEP-AWEZNQCLSA-N 1 0 327.384 3.096 20 5 EGBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000081364729 453865676 /nfs/dbraw/zinc/86/56/76/453865676.db2.gz ZWCVXUCDXGCWTJ-LBPRGKRZSA-N 1 0 339.823 3.052 20 5 EGBDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000053304731 453870373 /nfs/dbraw/zinc/87/03/73/453870373.db2.gz JBYNZGKWVSZRJP-VXGBXAGGSA-N 1 0 339.461 3.143 20 5 EGBDRO O=C(NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000067201892 453910242 /nfs/dbraw/zinc/91/02/42/453910242.db2.gz VLKIBCQBXSSCKI-INIZCTEOSA-N 1 0 345.443 3.369 20 5 EGBDRO O=[N+]([O-])c1ccc(NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)nc1 ZINC000067384744 453927759 /nfs/dbraw/zinc/92/77/59/453927759.db2.gz WPXZSKRQLSMVLK-MRXNPFEDSA-N 1 0 326.400 3.314 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)N(C)[C@H](C)CC(C)C)cc1[N+](=O)[O-] ZINC000181823973 455386441 /nfs/dbraw/zinc/38/64/41/455386441.db2.gz ANSCSSFVTLHJFU-HUUCEWRRSA-N 1 0 335.448 3.447 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2ccc(Br)o2)cc1 ZINC000040675872 453954141 /nfs/dbraw/zinc/95/41/41/453954141.db2.gz VMMDHVPIWMLICH-UHFFFAOYSA-N 1 0 325.162 3.283 20 5 EGBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@@H](c3nnc4ccccn43)C2)c1 ZINC000076397250 453997549 /nfs/dbraw/zinc/99/75/49/453997549.db2.gz ZDMPJRXHOWUVNF-OAHLLOKOSA-N 1 0 337.383 3.017 20 5 EGBDRO COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2C2CCCC2)c([N+](=O)[O-])c1 ZINC000055928076 454026122 /nfs/dbraw/zinc/02/61/22/454026122.db2.gz QCCYGUDKOBGMHJ-MRXNPFEDSA-N 1 0 347.415 3.197 20 5 EGBDRO CCc1ccc([C@H]([NH2+]CC(C)(C)CO)c2ccc([N+](=O)[O-])cc2)o1 ZINC000612414684 460624417 /nfs/dbraw/zinc/62/44/17/460624417.db2.gz YNNILGSQVYUXHR-QGZVFWFLSA-N 1 0 332.400 3.448 20 5 EGBDRO CN(C)c1cccc(C[N@H+](C)CCOc2ccccc2[N+](=O)[O-])c1 ZINC000159835705 455408259 /nfs/dbraw/zinc/40/82/59/455408259.db2.gz RCHYDODAHKVMDW-UHFFFAOYSA-N 1 0 329.400 3.172 20 5 EGBDRO CCC[NH+](CCC)CCCC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088349755 454100425 /nfs/dbraw/zinc/10/04/25/454100425.db2.gz WOCDUMMWEAMEKI-UHFFFAOYSA-N 1 0 347.459 3.382 20 5 EGBDRO COc1ccc(NC(=O)C[N@H+](CCC(C)C)C2CC2)c([N+](=O)[O-])c1 ZINC000044898420 454125384 /nfs/dbraw/zinc/12/53/84/454125384.db2.gz JDEOAVUXHTXURG-UHFFFAOYSA-N 1 0 335.404 3.052 20 5 EGBDRO NC(=O)C1(C[NH2+]Cc2c3ccccc3cc3ccccc32)CCOCC1 ZINC000119483218 454199291 /nfs/dbraw/zinc/19/92/91/454199291.db2.gz OIUHZUCIIMDRNB-UHFFFAOYSA-N 1 0 348.446 3.365 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[N@@H+](C)C[C@@H]1C(C)C ZINC000119939688 454238616 /nfs/dbraw/zinc/23/86/16/454238616.db2.gz WXNYWNQPLVKMPQ-MRXNPFEDSA-N 1 0 334.420 3.016 20 5 EGBDRO CCC[C@@H]([NH2+][C@@H](C)CCN1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000090046593 454265907 /nfs/dbraw/zinc/26/59/07/454265907.db2.gz XAPWDUINJQZYSZ-MAUKXSAKSA-N 1 0 335.448 3.136 20 5 EGBDRO Cc1cnc(N2CCC(C[NH+]3CCCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000078630454 454289081 /nfs/dbraw/zinc/28/90/81/454289081.db2.gz KTKNLNGGSQQAMS-UHFFFAOYSA-N 1 0 332.448 3.391 20 5 EGBDRO Cc1c([C@H](C)[NH2+]Cc2ccc([S@@](C)=O)cc2)cccc1[N+](=O)[O-] ZINC000090220919 454294058 /nfs/dbraw/zinc/29/40/58/454294058.db2.gz VCYSYDTVCKTJDP-NPMABZOXSA-N 1 0 332.425 3.491 20 5 EGBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000078689301 454300069 /nfs/dbraw/zinc/30/00/69/454300069.db2.gz YMOCXVRVPGHCSV-MRXNPFEDSA-N 1 0 340.427 3.399 20 5 EGBDRO CCC[N@@H+](CC(=O)Nc1ccc(OCC)cc1[N+](=O)[O-])CC1CC1 ZINC000072950217 454369465 /nfs/dbraw/zinc/36/94/65/454369465.db2.gz CZEMONOMVSTQKS-UHFFFAOYSA-N 1 0 335.404 3.054 20 5 EGBDRO CC[C@H](CSC)[N@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000091097265 454383658 /nfs/dbraw/zinc/38/36/58/454383658.db2.gz FHXAEQAWLDSCJG-CYBMUJFWSA-N 1 0 326.418 3.035 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000063582841 454425600 /nfs/dbraw/zinc/42/56/00/454425600.db2.gz RBFWKLOYRJWSCN-UHFFFAOYSA-N 1 0 345.443 3.241 20 5 EGBDRO C[C@]1(c2ccccc2)C[N@H+](CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000121638596 454461676 /nfs/dbraw/zinc/46/16/76/454461676.db2.gz WZMZBJLOQGFYJT-LJQANCHMSA-N 1 0 326.396 3.385 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2ncn(C[N@@H+]3CCC[C@@H]4CCCC[C@@H]43)n2)c1 ZINC000048340504 454475024 /nfs/dbraw/zinc/47/50/24/454475024.db2.gz SOXGNLHFNDNHTA-YOEHRIQHSA-N 1 0 341.415 3.465 20 5 EGBDRO C[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C[C@H]1CCC[C@@H]1O ZINC000091899290 454487238 /nfs/dbraw/zinc/48/72/38/454487238.db2.gz PTZXWSPVZCAHHW-DYVFJYSZSA-N 1 0 330.384 3.448 20 5 EGBDRO CC[NH+](CC)[C@H](C(=O)Nc1ccc([N+](=O)[O-])c(C)n1)c1ccccc1 ZINC000134068924 454498561 /nfs/dbraw/zinc/49/85/61/454498561.db2.gz WKJRCFWDQSIXCD-KRWDZBQOSA-N 1 0 342.399 3.320 20 5 EGBDRO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)Cc1ccoc1 ZINC000102409396 454502162 /nfs/dbraw/zinc/50/21/62/454502162.db2.gz IKYREUANUPEKPT-UHFFFAOYSA-N 1 0 347.371 3.047 20 5 EGBDRO COc1ccc(NC(=O)CC[N@H+](C)Cc2ccsc2)c([N+](=O)[O-])c1 ZINC000122339673 454525432 /nfs/dbraw/zinc/52/54/32/454525432.db2.gz BZKMMOLTTALTKJ-UHFFFAOYSA-N 1 0 349.412 3.126 20 5 EGBDRO CC(C)c1ccc(C[N@@H+]2CCC[C@H]2CN2CCOCC2)cc1[N+](=O)[O-] ZINC000092218196 454536703 /nfs/dbraw/zinc/53/67/03/454536703.db2.gz IODFDOKNKGEQHE-KRWDZBQOSA-N 1 0 347.459 3.015 20 5 EGBDRO CCC[N@H+](CC(=O)NC)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000092381681 454559121 /nfs/dbraw/zinc/55/91/21/454559121.db2.gz BBXMIUGWCMWMAZ-UHFFFAOYSA-N 1 0 347.440 3.281 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@@H]3CCCC[C@H]3O)cs2)c1 ZINC000074371047 454572138 /nfs/dbraw/zinc/57/21/38/454572138.db2.gz DQKWJJKJUDGHOO-HUUCEWRRSA-N 1 0 333.413 3.111 20 5 EGBDRO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000051050739 454606013 /nfs/dbraw/zinc/60/60/13/454606013.db2.gz KRRPEVCQKAOUAH-WMLDXEAASA-N 1 0 347.459 3.420 20 5 EGBDRO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000051050852 454606086 /nfs/dbraw/zinc/60/60/86/454606086.db2.gz ZQXRWLBCRJQTDQ-GDBMZVCRSA-N 1 0 333.432 3.112 20 5 EGBDRO Cc1cc(NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)ncc1[N+](=O)[O-] ZINC000074739731 454627234 /nfs/dbraw/zinc/62/72/34/454627234.db2.gz AKYJMHZQWQKTBQ-CQSZACIVSA-N 1 0 326.400 3.157 20 5 EGBDRO Cc1c(C[N@H+](C)C[C@H]2COc3ccccc3O2)cccc1[N+](=O)[O-] ZINC000051505626 454627497 /nfs/dbraw/zinc/62/74/97/454627497.db2.gz ADNNZOHQKJPQTA-HNNXBMFYSA-N 1 0 328.368 3.175 20 5 EGBDRO Cc1cc(N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)ncc1[N+](=O)[O-] ZINC000074745132 454629631 /nfs/dbraw/zinc/62/96/31/454629631.db2.gz UJYOOSNBATWXJX-MRXNPFEDSA-N 1 0 332.448 3.247 20 5 EGBDRO Cc1c(C[N@H+](C)Cc2ccc3c(c2)OCCO3)cccc1[N+](=O)[O-] ZINC000051588942 454632012 /nfs/dbraw/zinc/63/20/12/454632012.db2.gz XNZKYCWVRIXMDM-UHFFFAOYSA-N 1 0 328.368 3.306 20 5 EGBDRO O=C(CC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)NC1CCCC1 ZINC000135222920 454648915 /nfs/dbraw/zinc/64/89/15/454648915.db2.gz ZDMDWJBMFHZNBV-UHFFFAOYSA-N 1 0 331.416 3.008 20 5 EGBDRO C[C@@H](O)C[C@@H]1CCC[N@@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000093482115 454718407 /nfs/dbraw/zinc/71/84/07/454718407.db2.gz LPJBYVLPZZIHOY-DOMZBBRYSA-N 1 0 347.440 3.454 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000162664391 454792095 /nfs/dbraw/zinc/79/20/95/454792095.db2.gz LFXMUYMFWSEGOR-UHFFFAOYSA-N 1 0 346.431 3.385 20 5 EGBDRO Cc1c(CC(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000162762494 454799083 /nfs/dbraw/zinc/79/90/83/454799083.db2.gz KQOWHFGDRLMWPA-AWEZNQCLSA-N 1 0 347.459 3.072 20 5 EGBDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000162897141 454808076 /nfs/dbraw/zinc/80/80/76/454808076.db2.gz DVSSCPDISRPNEO-AWEZNQCLSA-N 1 0 334.420 3.084 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H]1C(C)C ZINC000140509586 454821740 /nfs/dbraw/zinc/82/17/40/454821740.db2.gz ZQPGKFFPSKLRQM-HNNXBMFYSA-N 1 0 335.404 3.052 20 5 EGBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000163238283 454832760 /nfs/dbraw/zinc/83/27/60/454832760.db2.gz LENUADLBRXNZIA-CXAGYDPISA-N 1 0 344.415 3.075 20 5 EGBDRO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000144761347 454850135 /nfs/dbraw/zinc/85/01/35/454850135.db2.gz MISMKMAVYPCVOG-ZBFHGGJFSA-N 1 0 333.432 3.112 20 5 EGBDRO NC(=O)c1ccc(C[N@@H+]2CCCC3(CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000111323451 454862186 /nfs/dbraw/zinc/86/21/86/454862186.db2.gz YVKJLMBXRHAOIK-UHFFFAOYSA-N 1 0 331.416 3.240 20 5 EGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](c1ccco1)N(C)C ZINC000154149995 454869247 /nfs/dbraw/zinc/86/92/47/454869247.db2.gz BPQCPEQLXRGJJY-PBHICJAKSA-N 1 0 331.416 3.401 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC(=O)Nc1ccc(F)cc1 ZINC000126286132 454883404 /nfs/dbraw/zinc/88/34/04/454883404.db2.gz WSWYSMGGSCECLK-GFCCVEGCSA-N 1 0 331.347 3.332 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]([C@@H](C)C1CC1)C1CC1 ZINC000164696050 454887794 /nfs/dbraw/zinc/88/77/94/454887794.db2.gz CYZDOZHLUYOJLD-ZDUSSCGKSA-N 1 0 331.416 3.495 20 5 EGBDRO CSCC[C@@H](C)[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000126392266 454890697 /nfs/dbraw/zinc/89/06/97/454890697.db2.gz JYLMXAUQBMNQGA-CYBMUJFWSA-N 1 0 339.461 3.305 20 5 EGBDRO CC[NH+](CC)[C@H](CNC(=O)c1cccc(C)c1[N+](=O)[O-])CC(C)C ZINC000112915368 454906309 /nfs/dbraw/zinc/90/63/09/454906309.db2.gz YFXIPUJKUNNAGS-HNNXBMFYSA-N 1 0 335.448 3.390 20 5 EGBDRO Cc1c([C@H](C)[NH2+]Cc2cccnc2-n2cccn2)cccc1[N+](=O)[O-] ZINC000177904925 454918195 /nfs/dbraw/zinc/91/81/95/454918195.db2.gz LKWZRLMQWFDGDV-AWEZNQCLSA-N 1 0 337.383 3.335 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C3CCC(O)CC3)cs2)c1 ZINC000113312047 454921679 /nfs/dbraw/zinc/92/16/79/454921679.db2.gz NJIQPVSXAJWVRV-UHFFFAOYSA-N 1 0 333.413 3.111 20 5 EGBDRO C[NH+]1CCC(CNC(=O)c2cc3ccccc3c3cccnc23)CC1 ZINC000170629688 454944537 /nfs/dbraw/zinc/94/45/37/454944537.db2.gz TULDBCGXPHUBRG-UHFFFAOYSA-N 1 0 333.435 3.460 20 5 EGBDRO CCC[N@H+](C)Cc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000127545562 454976331 /nfs/dbraw/zinc/97/63/31/454976331.db2.gz FYUABNZZGOSICG-UHFFFAOYSA-N 1 0 336.310 3.386 20 5 EGBDRO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)NCc1ccccc1F ZINC000114748841 454976350 /nfs/dbraw/zinc/97/63/50/454976350.db2.gz OYRKXLPEASIFFQ-CHWSQXEVSA-N 1 0 345.374 3.089 20 5 EGBDRO CN(C[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1)C(=O)OC(C)(C)C ZINC000170917715 454999345 /nfs/dbraw/zinc/99/93/45/454999345.db2.gz PIAVYAAJNUQORB-OAHLLOKOSA-N 1 0 349.431 3.284 20 5 EGBDRO CC(C)([NH2+]CCn1ccc([N+](=O)[O-])n1)c1cccc(C(F)(F)F)c1 ZINC000267092390 455501126 /nfs/dbraw/zinc/50/11/26/455501126.db2.gz QDMXIUHNKVAKBI-UHFFFAOYSA-N 1 0 342.321 3.335 20 5 EGBDRO C[C@@H]([NH2+]CCCOc1ccc2c(c1)OCO2)c1cccc([N+](=O)[O-])c1 ZINC000180416324 455165498 /nfs/dbraw/zinc/16/54/98/455165498.db2.gz CEYGJXCGNITTNT-CYBMUJFWSA-N 1 0 344.367 3.443 20 5 EGBDRO COCCCOC1CC[NH+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000182807974 455168087 /nfs/dbraw/zinc/16/80/87/455168087.db2.gz MEPTXCIXGPMGEY-HNNXBMFYSA-N 1 0 336.432 3.482 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]CCCOCC2CCOCC2)cc1[N+](=O)[O-] ZINC000157475520 455198548 /nfs/dbraw/zinc/19/85/48/455198548.db2.gz GAQVJMAJDARUDD-HNNXBMFYSA-N 1 0 336.432 3.387 20 5 EGBDRO Cc1c([C@H](C)[NH2+]CCCOCC2CCOCC2)cccc1[N+](=O)[O-] ZINC000157497967 455200704 /nfs/dbraw/zinc/20/07/04/455200704.db2.gz ZNHLAJATNOUIGS-HNNXBMFYSA-N 1 0 336.432 3.387 20 5 EGBDRO CC(C)c1ccc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000190173780 455285532 /nfs/dbraw/zinc/28/55/32/455285532.db2.gz MWARWFFAVWFHRK-WBVHZDCISA-N 1 0 345.443 3.275 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1Cc2ccccc2C[C@H]1C ZINC000173531799 455302110 /nfs/dbraw/zinc/30/21/10/455302110.db2.gz APNYBNQPZAHCOU-CQSZACIVSA-N 1 0 339.395 3.289 20 5 EGBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)cc1[N+](=O)[O-] ZINC000245510506 455318637 /nfs/dbraw/zinc/31/86/37/455318637.db2.gz WJTAXYZHMRESAC-AADNMHCOSA-N 1 0 334.416 3.458 20 5 EGBDRO CC[C@H](C)C[N@H+](CC)[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000245762531 455374804 /nfs/dbraw/zinc/37/48/04/455374804.db2.gz ISYHZRHGNVJWTO-QWHCGFSZSA-N 1 0 337.420 3.298 20 5 EGBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1cc2ccccc2s1 ZINC000184384341 455375700 /nfs/dbraw/zinc/37/57/00/455375700.db2.gz YEKLSZJHRYYYTO-LBPRGKRZSA-N 1 0 343.408 3.322 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CC[C@@H]4CCCC[C@@H]43)n2)cc1 ZINC000159732102 455399359 /nfs/dbraw/zinc/39/93/59/455399359.db2.gz VWRFJDVDAFKMSP-WFASDCNBSA-N 1 0 328.372 3.409 20 5 EGBDRO CCOC[C@@H]1CC[N@@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000246191721 455444887 /nfs/dbraw/zinc/44/48/87/455444887.db2.gz LQJRYNJKUMKIPE-CHWSQXEVSA-N 1 0 346.387 3.064 20 5 EGBDRO Cc1cc([N+](=O)[O-])ccc1NC1CC[NH+](Cc2ccccn2)CC1 ZINC000267002272 455491652 /nfs/dbraw/zinc/49/16/52/455491652.db2.gz ZAMALZFJGJLQEA-UHFFFAOYSA-N 1 0 326.400 3.375 20 5 EGBDRO Cn1ccnc1C[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000182377872 455500700 /nfs/dbraw/zinc/50/07/00/455500700.db2.gz YXMZMRKMWLTLMB-CYBMUJFWSA-N 1 0 348.834 3.436 20 5 EGBDRO CCCC[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000191828748 455523750 /nfs/dbraw/zinc/52/37/50/455523750.db2.gz CAWMPQYYTLRYOG-UKRRQHHQSA-N 1 0 349.431 3.490 20 5 EGBDRO Cc1cc(NC(=O)N(CC[NH+](C)C)Cc2ccco2)ccc1[N+](=O)[O-] ZINC000182764693 455583123 /nfs/dbraw/zinc/58/31/23/455583123.db2.gz RKVOLGXORNRLSM-UHFFFAOYSA-N 1 0 346.387 3.092 20 5 EGBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000292267844 455613216 /nfs/dbraw/zinc/61/32/16/455613216.db2.gz LJBJJBSPCUEBGH-ZDUSSCGKSA-N 1 0 331.416 3.108 20 5 EGBDRO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)c1 ZINC000268231456 455625603 /nfs/dbraw/zinc/62/56/03/455625603.db2.gz FCDRUUSQXDQATC-WMLDXEAASA-N 1 0 346.383 3.155 20 5 EGBDRO C[C@@H](C[C@H](C)[NH2+]Cc1ccccc1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000271424920 455632399 /nfs/dbraw/zinc/63/23/99/455632399.db2.gz CKFWBYKXJJAVQH-STQMWFEESA-N 1 0 337.420 3.376 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)[C@H]1OCCc2sccc21 ZINC000292363993 455641894 /nfs/dbraw/zinc/64/18/94/455641894.db2.gz IJKGLEIMRMQJPK-APPDUMDISA-N 1 0 348.424 3.457 20 5 EGBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000192586078 455647202 /nfs/dbraw/zinc/64/72/02/455647202.db2.gz IWBJADDZFAHPAT-ZDUSSCGKSA-N 1 0 331.420 3.052 20 5 EGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)CC[S@@](C)=O ZINC000271553940 455681811 /nfs/dbraw/zinc/68/18/11/455681811.db2.gz WFPCIHSTHJLAST-GIYNXVAASA-N 1 0 344.502 3.212 20 5 EGBDRO C[C@H]1CN(Cc2cc(=O)oc3ccc4ccccc4c23)C[C@H]1[NH+](C)C ZINC000271570312 455687888 /nfs/dbraw/zinc/68/78/88/455687888.db2.gz ONZCOLVOLWDKEA-KBXCAEBGSA-N 1 0 336.435 3.328 20 5 EGBDRO O=C(CC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)N1CCCCCC1 ZINC000192787729 455693612 /nfs/dbraw/zinc/69/36/12/455693612.db2.gz AJKAVHDHBDDEGE-GOSISDBHSA-N 1 0 345.443 3.355 20 5 EGBDRO CC1CC[NH+](CCCNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1 ZINC000193691530 455771214 /nfs/dbraw/zinc/77/12/14/455771214.db2.gz MQGVSMXPBRQVDF-UHFFFAOYSA-N 1 0 346.431 3.013 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000249774067 455775893 /nfs/dbraw/zinc/77/58/93/455775893.db2.gz MGLITSRLVFSGSK-OCCSQVGLSA-N 1 0 334.420 3.145 20 5 EGBDRO Cc1cc(C)cc([C@@H](O)C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000285153996 455796683 /nfs/dbraw/zinc/79/66/83/455796683.db2.gz MHCXHTDJVMSFQU-UGSOOPFHSA-N 1 0 329.400 3.178 20 5 EGBDRO Cc1ccc([C@H](C)NCCC[N@@H+]2CCCO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000278375602 455833580 /nfs/dbraw/zinc/83/35/80/455833580.db2.gz CCOKUQKLIUWBRC-CVEARBPZSA-N 1 0 335.448 3.055 20 5 EGBDRO Cc1nnc([C@@H]2CCC[N@@H+]([C@@H](C)c3cc([N+](=O)[O-])ccc3C)C2)[nH]1 ZINC000272203084 455876052 /nfs/dbraw/zinc/87/60/52/455876052.db2.gz AXXWQXWALAUENP-GXTWGEPZSA-N 1 0 329.404 3.270 20 5 EGBDRO COc1cc2c(cc1OC)[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)CC2 ZINC000280005660 455880066 /nfs/dbraw/zinc/88/00/66/455880066.db2.gz GHWMEOBIXDAYMY-QGZVFWFLSA-N 1 0 342.395 3.432 20 5 EGBDRO Cc1c(C[N@@H+]2CCC[C@](O)(C(F)(F)F)CC2)cccc1[N+](=O)[O-] ZINC000285614614 455882243 /nfs/dbraw/zinc/88/22/43/455882243.db2.gz QGBPPMINNJVZQU-CQSZACIVSA-N 1 0 332.322 3.183 20 5 EGBDRO C[C@]1(O)CCC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000280086440 455887832 /nfs/dbraw/zinc/88/78/32/455887832.db2.gz ODTKERKGAGWSOZ-SFHVURJKSA-N 1 0 345.399 3.029 20 5 EGBDRO Cc1c(NC(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)cccc1[N+](=O)[O-] ZINC000270147146 455888579 /nfs/dbraw/zinc/88/85/79/455888579.db2.gz QJXZNYWURMWSOO-HNNXBMFYSA-N 1 0 346.431 3.099 20 5 EGBDRO C[C@H](Nc1ccc([N+](=O)[O-])cn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272340597 455919945 /nfs/dbraw/zinc/91/99/45/455919945.db2.gz WXBZPYZLJOGNCO-HOCLYGCPSA-N 1 0 326.400 3.312 20 5 EGBDRO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000272373042 455929514 /nfs/dbraw/zinc/92/95/14/455929514.db2.gz AZEKULIIDQWXPM-HIFRSBDPSA-N 1 0 349.431 3.330 20 5 EGBDRO CC(C)(C)OC(=O)N1CC[C@@](C)(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000195219594 455933442 /nfs/dbraw/zinc/93/34/42/455933442.db2.gz DWAKMDFQKVWFTP-SFHVURJKSA-N 1 0 349.431 3.332 20 5 EGBDRO COc1cc(C[NH2+]C2CC(C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272420761 455944747 /nfs/dbraw/zinc/94/47/47/455944747.db2.gz LUVRNHQOHZQYSL-UHFFFAOYSA-N 1 0 330.331 3.135 20 5 EGBDRO O=[N+]([O-])c1cccc(F)c1CN1CC[NH2+]C[C@H]1c1cccc(F)c1 ZINC000261826425 455954926 /nfs/dbraw/zinc/95/49/26/455954926.db2.gz SPYNOJRPHUFEPH-KRWDZBQOSA-N 1 0 333.338 3.020 20 5 EGBDRO C[N@@H+](Cc1ccccc1)CC1CCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000195512905 455973262 /nfs/dbraw/zinc/97/32/62/455973262.db2.gz IILLTJMXRJDOQH-UHFFFAOYSA-N 1 0 346.456 3.400 20 5 EGBDRO CC[NH+](CC)Cc1ccccc1CNc1ncc([N+](=O)[O-])c(C)n1 ZINC000296604190 455985895 /nfs/dbraw/zinc/98/58/95/455985895.db2.gz SXSTZCYRWXSNAC-UHFFFAOYSA-N 1 0 329.404 3.147 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ncc(C2CC[NH2+]CC2)s1 ZINC000262126668 456000486 /nfs/dbraw/zinc/00/04/86/456000486.db2.gz WKEGWKBVNLUFTN-UHFFFAOYSA-N 1 0 346.412 3.079 20 5 EGBDRO Cc1cc(N2CCC[C@](C)(O)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000280565066 456000482 /nfs/dbraw/zinc/00/04/82/456000482.db2.gz VAKBQSQSYNZVFW-SFHVURJKSA-N 1 0 342.399 3.102 20 5 EGBDRO CCS[C@@H]1CCC[C@@H]1[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000286228675 456004138 /nfs/dbraw/zinc/00/41/38/456004138.db2.gz RGCVOKAWOHIPKJ-UONOGXRCSA-N 1 0 348.428 3.409 20 5 EGBDRO CCCN(CCC[NH+](C)C)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1F ZINC000296667531 456005169 /nfs/dbraw/zinc/00/51/69/456005169.db2.gz HEHQTZFNFWBIEW-UHFFFAOYSA-N 1 0 340.399 3.238 20 5 EGBDRO COc1ccc(NC(=O)CC[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000296754930 456030214 /nfs/dbraw/zinc/03/02/14/456030214.db2.gz PZDMIBHNPFOTLO-ZDUSSCGKSA-N 1 0 343.383 3.283 20 5 EGBDRO CCC(=O)c1ccc(N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c([N+](=O)[O-])c1 ZINC000286379089 456036458 /nfs/dbraw/zinc/03/64/58/456036458.db2.gz NBGMHWVXSMAXNM-YIONKMFJSA-N 1 0 331.416 3.249 20 5 EGBDRO COc1ccc([C@@H](C[NH+]2CCCC2)Nc2ncccc2[N+](=O)[O-])cc1 ZINC000272721062 456052216 /nfs/dbraw/zinc/05/22/16/456052216.db2.gz FFGZAGOQVCRYRH-MRXNPFEDSA-N 1 0 342.399 3.247 20 5 EGBDRO Cc1cnc(N2CCC[N@H+](CC3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000301426563 456112713 /nfs/dbraw/zinc/11/27/13/456112713.db2.gz HBMHLJVJIXIOOP-UHFFFAOYSA-N 1 0 332.448 3.391 20 5 EGBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000272986121 456135960 /nfs/dbraw/zinc/13/59/60/456135960.db2.gz ZTQZBLOVIHAGNH-CABCVRRESA-N 1 0 348.424 3.233 20 5 EGBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2c3ccccc3C[C@H]2O)cc1[N+](=O)[O-] ZINC000271144790 456139869 /nfs/dbraw/zinc/13/98/69/456139869.db2.gz OZPLEHIPRNLQJT-OEPMTFCVSA-N 1 0 342.395 3.302 20 5 EGBDRO CCCN(CCC[NH+](C)C)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000188802616 456140477 /nfs/dbraw/zinc/14/04/77/456140477.db2.gz AYWGBCRTJATMJX-AWEZNQCLSA-N 1 0 336.436 3.029 20 5 EGBDRO Cc1nc(NC[C@H]2CC[N@H+](CCc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000301623675 456166161 /nfs/dbraw/zinc/16/61/61/456166161.db2.gz GHHZIFCLFPXEIV-QGZVFWFLSA-N 1 0 340.427 3.275 20 5 EGBDRO Cc1nc(N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000301639975 456171721 /nfs/dbraw/zinc/17/17/21/456171721.db2.gz GFPKUVOKVKZPMY-CZUORRHYSA-N 1 0 326.400 3.373 20 5 EGBDRO C[C@H](Nc1ncc(Br)cc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000301686207 456186341 /nfs/dbraw/zinc/18/63/41/456186341.db2.gz LSQJOSBWBNQVCR-VIFPVBQESA-N 1 0 345.241 3.141 20 5 EGBDRO Cc1nc(N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000301686383 456186393 /nfs/dbraw/zinc/18/63/93/456186393.db2.gz XCVLVGISLCSFRQ-QGZVFWFLSA-N 1 0 340.427 3.399 20 5 EGBDRO CC1([C@H]2CCC[N@H+](Cc3cc(Cl)ccc3[N+](=O)[O-])C2)OCCO1 ZINC000273155589 456195007 /nfs/dbraw/zinc/19/50/07/456195007.db2.gz YRFHKSDXBUOMCJ-ZDUSSCGKSA-N 1 0 340.807 3.223 20 5 EGBDRO CCOc1cc(N2CC[NH+](C3CCCCC3)CC2)ccc1[N+](=O)[O-] ZINC000301733761 456201027 /nfs/dbraw/zinc/20/10/27/456201027.db2.gz ZBWOCTPOVNOIRV-UHFFFAOYSA-N 1 0 333.432 3.448 20 5 EGBDRO CC(C)C[N@@H+]1CCC[C@H](CNc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000301782880 456214080 /nfs/dbraw/zinc/21/40/80/456214080.db2.gz NRYMKVVTWUPKNJ-GFCCVEGCSA-N 1 0 326.828 3.423 20 5 EGBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000273207622 456214862 /nfs/dbraw/zinc/21/48/62/456214862.db2.gz AWDIVWOTTPTHHI-NSHDSACASA-N 1 0 339.823 3.051 20 5 EGBDRO O=C(CC[N@@H+]1CCC[C@@H]1c1ccc[nH]1)Nc1cc([N+](=O)[O-])ccc1F ZINC000273215095 456217098 /nfs/dbraw/zinc/21/70/98/456217098.db2.gz XIBATVLXYFJBLF-MRXNPFEDSA-N 1 0 346.362 3.228 20 5 EGBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000301814650 456221625 /nfs/dbraw/zinc/22/16/25/456221625.db2.gz GGBVPROSVUDAAZ-GXFFZTMASA-N 1 0 331.338 3.390 20 5 EGBDRO C[NH+](C)[C@@H]1CCC[C@@H](Nc2c(Br)cncc2[N+](=O)[O-])C1 ZINC000301907104 456246903 /nfs/dbraw/zinc/24/69/03/456246903.db2.gz ZPCKGPNIVQEGLL-NXEZZACHSA-N 1 0 343.225 3.037 20 5 EGBDRO COc1ccc(CNC[C@]2([NH+](C)C)CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000237205866 456247297 /nfs/dbraw/zinc/24/72/97/456247297.db2.gz KLQULXDCTFFTGN-KSSFIOAISA-N 1 0 335.448 3.204 20 5 EGBDRO O=[N+]([O-])c1ccc(OCCC[NH+]2CCC([C@@H]3CCCO3)CC2)cc1 ZINC000189185284 456248760 /nfs/dbraw/zinc/24/87/60/456248760.db2.gz KHTVPMGDBGFFRR-SFHVURJKSA-N 1 0 334.416 3.255 20 5 EGBDRO CC(C)(C)OC(=O)NCC1(C[NH2+]CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000297566472 456254303 /nfs/dbraw/zinc/25/43/03/456254303.db2.gz HNNJBAUUHPVGTQ-UHFFFAOYSA-N 1 0 349.431 3.032 20 5 EGBDRO COCC(C)(C)CCC[NH2+]Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000290203278 456265997 /nfs/dbraw/zinc/26/59/97/456265997.db2.gz UXSCNWBZNCWAMD-UHFFFAOYSA-N 1 0 340.420 3.154 20 5 EGBDRO Cc1cc(N(C)C[C@@H]2CCC[N@H+](C)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000302041585 456273919 /nfs/dbraw/zinc/27/39/19/456273919.db2.gz WPIAINMLEWDKSX-CQSZACIVSA-N 1 0 328.416 3.229 20 5 EGBDRO C[NH+](C)C[C@@H]1CCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC000275675142 456282669 /nfs/dbraw/zinc/28/26/69/456282669.db2.gz ZULKMDXLFWTZTM-AWEZNQCLSA-N 1 0 349.434 3.117 20 5 EGBDRO COC(=O)CC1([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCC1 ZINC000347676264 456299026 /nfs/dbraw/zinc/29/90/26/456299026.db2.gz GYSJNTLEOFZDIM-UHFFFAOYSA-N 1 0 344.367 3.430 20 5 EGBDRO C[N@@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000302160672 456303625 /nfs/dbraw/zinc/30/36/25/456303625.db2.gz GXLZFHHIJRIOPI-OAHLLOKOSA-N 1 0 342.399 3.075 20 5 EGBDRO C[C@@H](CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)[N@H+](C)C1CC1 ZINC000275766936 456308966 /nfs/dbraw/zinc/30/89/66/456308966.db2.gz GKJGVSDVWCJAPE-ZDUSSCGKSA-N 1 0 349.434 3.306 20 5 EGBDRO Cc1ccnc(N[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000302186698 456310551 /nfs/dbraw/zinc/31/05/51/456310551.db2.gz VQGAHBHYHZDZIQ-HOCLYGCPSA-N 1 0 326.400 3.231 20 5 EGBDRO C[C@H]([NH2+][C@@H]1CSC[C@@H]1C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000352799283 456318698 /nfs/dbraw/zinc/31/86/98/456318698.db2.gz MFPMDCPHMFOEBZ-OUJBWJOFSA-N 1 0 334.401 3.047 20 5 EGBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC000275829603 456327014 /nfs/dbraw/zinc/32/70/14/456327014.db2.gz OBQQUBAFHURMFE-OAHLLOKOSA-N 1 0 349.434 3.260 20 5 EGBDRO Cc1cc(N2CCC([NH2+][C@@H](C)c3cccc([N+](=O)[O-])c3C)CC2)n[nH]1 ZINC000275969495 456359812 /nfs/dbraw/zinc/35/98/12/456359812.db2.gz WUWWDQCQESTCFS-AWEZNQCLSA-N 1 0 343.431 3.254 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[NH+](C2CCCC2)CC1 ZINC000303186387 456449901 /nfs/dbraw/zinc/44/99/01/456449901.db2.gz DTQYKFBGXFAXQE-UHFFFAOYSA-N 1 0 347.459 3.442 20 5 EGBDRO CC(C)(C)Oc1cc(NCC[NH+]2CCSCC2)ccc1[N+](=O)[O-] ZINC000343288142 456510774 /nfs/dbraw/zinc/51/07/74/456510774.db2.gz VJSCFDTZKONBGN-UHFFFAOYSA-N 1 0 339.461 3.233 20 5 EGBDRO CC(C)(C)[C@H]1NC(=O)CC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000353145710 456521539 /nfs/dbraw/zinc/52/15/39/456521539.db2.gz XJNOSIQDQXTVKZ-ZFWWWQNUSA-N 1 0 339.823 3.031 20 5 EGBDRO CCC(CC)(C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)OC ZINC000291643385 456705510 /nfs/dbraw/zinc/70/55/10/456705510.db2.gz BVZOPCUYSYJCGZ-UHFFFAOYSA-N 1 0 346.431 3.290 20 5 EGBDRO COc1ncccc1CC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000353561544 456760893 /nfs/dbraw/zinc/76/08/93/456760893.db2.gz PLXCOVHWTKBVDA-KRWDZBQOSA-N 1 0 327.384 3.208 20 5 EGBDRO CC[C@@H](C)[NH2+][C@@H](CNc1c([N+](=O)[O-])nc(C)n1CC)c1ccco1 ZINC000340951382 456779449 /nfs/dbraw/zinc/77/94/49/456779449.db2.gz IUGJWIQWTZQZEH-YPMHNXCESA-N 1 0 335.408 3.254 20 5 EGBDRO Cc1ccc([C@@H](CNc2ncc([N+](=O)[O-])cc2C)[NH+]2CCCC2)o1 ZINC000301179273 456814960 /nfs/dbraw/zinc/81/49/60/456814960.db2.gz HFDBXIZIIRGRFY-OAHLLOKOSA-N 1 0 330.388 3.449 20 5 EGBDRO Cc1c(C[NH2+][C@@H](C)c2ccc3c(c2)OCC(=O)N3)cccc1[N+](=O)[O-] ZINC000353684459 456853641 /nfs/dbraw/zinc/85/36/41/456853641.db2.gz HIAVGWIYKNUEAD-LBPRGKRZSA-N 1 0 341.367 3.085 20 5 EGBDRO C[NH+](C)CCN(Cc1ccco1)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000349300813 456936187 /nfs/dbraw/zinc/93/61/87/456936187.db2.gz UMFFYQMDQGZVSM-UHFFFAOYSA-N 1 0 337.807 3.405 20 5 EGBDRO C[C@@]1(CO)CCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000339106887 456944069 /nfs/dbraw/zinc/94/40/69/456944069.db2.gz BOFRQIORFOWLIH-KGLIPLIRSA-N 1 0 332.322 3.254 20 5 EGBDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000330914317 457103692 /nfs/dbraw/zinc/10/36/92/457103692.db2.gz YCJQPCARFPSDIB-HUUCEWRRSA-N 1 0 347.459 3.010 20 5 EGBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)C[C@H]1C ZINC000331026693 457122263 /nfs/dbraw/zinc/12/22/63/457122263.db2.gz VLWPYEBMSLSMMS-HIFRSBDPSA-N 1 0 334.420 3.240 20 5 EGBDRO C[C@](CO)(C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000342209653 457169829 /nfs/dbraw/zinc/16/98/29/457169829.db2.gz LPKVIRGXMVJNAG-QRBZPYHOSA-N 1 0 326.396 3.148 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000331369044 457174849 /nfs/dbraw/zinc/17/48/49/457174849.db2.gz FPBLQDVSLBBZOM-WMLDXEAASA-N 1 0 346.431 3.289 20 5 EGBDRO Cc1cc(NC(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000331395516 457178601 /nfs/dbraw/zinc/17/86/01/457178601.db2.gz MOPIDIZIXBFGPH-PBHICJAKSA-N 1 0 346.431 3.289 20 5 EGBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000347041689 457199669 /nfs/dbraw/zinc/19/96/69/457199669.db2.gz LJUCLKUGPIMYKZ-IRXDYDNUSA-N 1 0 347.459 3.106 20 5 EGBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C[C@H]1C ZINC000354400240 457199682 /nfs/dbraw/zinc/19/96/82/457199682.db2.gz QLIOHIHYRCGUHA-TZMCWYRMSA-N 1 0 345.399 3.286 20 5 EGBDRO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](CC3CC3)C2)c([N+](=O)[O-])c1 ZINC000339670383 457202845 /nfs/dbraw/zinc/20/28/45/457202845.db2.gz BZHNGDNIJQLJNG-TZMCWYRMSA-N 1 0 347.415 3.052 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CC[C@H](CC4CC4)C3)o2)cc1 ZINC000339676764 457206209 /nfs/dbraw/zinc/20/62/09/457206209.db2.gz YXWYVCWZKOKFPJ-CYBMUJFWSA-N 1 0 328.372 3.267 20 5 EGBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000354444403 457226871 /nfs/dbraw/zinc/22/68/71/457226871.db2.gz ZYHDWBTWMJBHNK-VXGBXAGGSA-N 1 0 339.823 3.193 20 5 EGBDRO C[C@H](CNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)[N@@H+]1CCCC[C@H]1C ZINC000339744033 457245191 /nfs/dbraw/zinc/24/51/91/457245191.db2.gz AWNQPVCAEFDPQA-KFWWJZLASA-N 1 0 348.447 3.218 20 5 EGBDRO CC(C)C1CC[NH+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1 ZINC000331992087 457285943 /nfs/dbraw/zinc/28/59/43/457285943.db2.gz DYKWUIIPVSGGFD-UHFFFAOYSA-N 1 0 347.415 3.261 20 5 EGBDRO CCOc1ccc(NC(=O)C[N@H+](C)[C@H](C)C2CCC2)c([N+](=O)[O-])c1 ZINC000357045319 457295755 /nfs/dbraw/zinc/29/57/55/457295755.db2.gz WKIMWOCUPUQSKG-GFCCVEGCSA-N 1 0 335.404 3.052 20 5 EGBDRO C[NH+](C)C[C@@H](NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)c1ccccc1 ZINC000347255285 457313616 /nfs/dbraw/zinc/31/36/16/457313616.db2.gz FIEJXWQFVMEGEG-MRXNPFEDSA-N 1 0 346.362 3.158 20 5 EGBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000360840674 457378938 /nfs/dbraw/zinc/37/89/38/457378938.db2.gz BUOMUPNAYDVTNX-MRXNPFEDSA-N 1 0 343.431 3.369 20 5 EGBDRO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)[NH+](C)C ZINC000347405641 457405753 /nfs/dbraw/zinc/40/57/53/457405753.db2.gz ADTMTGQPTRHRCA-GFCCVEGCSA-N 1 0 339.461 3.167 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2ccc(CN3CCC[C@]4(CC[NH2+]C4)C3)o2)c1 ZINC000352545219 457453953 /nfs/dbraw/zinc/45/39/53/457453953.db2.gz HGYCBVBOJSMIJP-LJQANCHMSA-N 1 0 341.411 3.430 20 5 EGBDRO O=[N+]([O-])c1ccc(OCCC[NH+]2CCC(OCC3CC3)CC2)cc1 ZINC000374129409 457488350 /nfs/dbraw/zinc/48/83/50/457488350.db2.gz GYULQWYSECJJNH-UHFFFAOYSA-N 1 0 334.416 3.255 20 5 EGBDRO CCc1cnccc1[C@H](C)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000361138320 457607953 /nfs/dbraw/zinc/60/79/53/457607953.db2.gz ZRHMJVKIOGYWJD-ZDUSSCGKSA-N 1 0 342.399 3.232 20 5 EGBDRO C[C@@H]1[C@H](C)N(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC[N@H+]1C ZINC000361157110 457619590 /nfs/dbraw/zinc/61/95/90/457619590.db2.gz UVMGYPYODZNHNK-KGLIPLIRSA-N 1 0 329.400 3.379 20 5 EGBDRO COc1cc(NC[C@H]2CCCn3cc(C)nc32)c([N+](=O)[O-])cc1F ZINC000361188326 457637624 /nfs/dbraw/zinc/63/76/24/457637624.db2.gz NBGUZJAEAAZGKA-LLVKDONJSA-N 1 0 334.351 3.237 20 5 EGBDRO Cc1cc(N2CC[C@@H]([C@@H]3CCOC3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000374664853 457683221 /nfs/dbraw/zinc/68/32/21/457683221.db2.gz QZYUFGVNDCSXEH-ZIAGYGMSSA-N 1 0 327.384 3.314 20 5 EGBDRO Cc1c([C@@H](C)[NH2+][C@H]2CC(=O)N(c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000357798063 457693913 /nfs/dbraw/zinc/69/39/13/457693913.db2.gz SIZXCICHFLJMAC-CABCVRRESA-N 1 0 339.395 3.359 20 5 EGBDRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000357852219 457712321 /nfs/dbraw/zinc/71/23/21/457712321.db2.gz NIXIBTRTHYYDHX-KBXCAEBGSA-N 1 0 341.411 3.324 20 5 EGBDRO Cc1ccc(C[N@@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000375044559 457768800 /nfs/dbraw/zinc/76/88/00/457768800.db2.gz XJCGNGOAPWJNIT-SFHVURJKSA-N 1 0 330.359 3.136 20 5 EGBDRO O=C(CN1CCC[C@H]2CCC[C@@H]21)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000444189503 457865291 /nfs/dbraw/zinc/86/52/91/457865291.db2.gz VIYPILUNDIIYHU-RISCZKNCSA-N 1 0 337.807 3.451 20 5 EGBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)N(C)c1ccccc1 ZINC000411461821 457894289 /nfs/dbraw/zinc/89/42/89/457894289.db2.gz UBXQOJHOXSHJGW-UONOGXRCSA-N 1 0 327.384 3.297 20 5 EGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCc1ncc(C)cn1 ZINC000358363315 457957673 /nfs/dbraw/zinc/95/76/73/457957673.db2.gz DUHRKMSIBHIWTK-AWEZNQCLSA-N 1 0 346.456 3.396 20 5 EGBDRO CC(C)[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H](O)COc1ccccc1 ZINC000444809048 457982459 /nfs/dbraw/zinc/98/24/59/457982459.db2.gz BDPOVCNRTZNTBN-GOSISDBHSA-N 1 0 344.411 3.245 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(C[NH+](C)C)c(C)c1 ZINC000458268256 457995638 /nfs/dbraw/zinc/99/56/38/457995638.db2.gz QHICZXAVIGDGSM-UHFFFAOYSA-N 1 0 343.383 3.226 20 5 EGBDRO CC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1occc1C ZINC000412026869 458052614 /nfs/dbraw/zinc/05/26/14/458052614.db2.gz NRKUKRLUDCJHLL-UHFFFAOYSA-N 1 0 331.372 3.347 20 5 EGBDRO CC(C)CN(C(=O)CCc1cccc([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000362248431 458053388 /nfs/dbraw/zinc/05/33/88/458053388.db2.gz GBGOUVVMXPIJCX-UHFFFAOYSA-N 1 0 347.459 3.106 20 5 EGBDRO COc1cc(C[N@@H+](C)C2CCC(OC)CC2)c([N+](=O)[O-])cc1F ZINC000362328552 458106287 /nfs/dbraw/zinc/10/62/87/458106287.db2.gz SVPKTNFTEDNHAC-UHFFFAOYSA-N 1 0 326.368 3.132 20 5 EGBDRO CCO[C@@H]1C[C@H]([N@H+](C)Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1(C)C ZINC000362328905 458107899 /nfs/dbraw/zinc/10/78/99/458107899.db2.gz XAPWKXKOKCHQPI-JKSUJKDBSA-N 1 0 340.395 3.378 20 5 EGBDRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000428396377 458136048 /nfs/dbraw/zinc/13/60/48/458136048.db2.gz FFFFAQBDAKVTLK-UHFFFAOYSA-N 1 0 328.372 3.079 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCCC(C)(C)C1 ZINC000446082339 458143927 /nfs/dbraw/zinc/14/39/27/458143927.db2.gz XUCPEDWEQVJUNK-UHFFFAOYSA-N 1 0 349.431 3.444 20 5 EGBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H](C)C1 ZINC000429024095 458259065 /nfs/dbraw/zinc/25/90/65/458259065.db2.gz WOLGTVWAPNBJEJ-XNJGSVPQSA-N 1 0 337.851 3.410 20 5 EGBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1C[C@H](c2ccccc2)[C@H]2CCCC[C@@H]21 ZINC000362584118 458284159 /nfs/dbraw/zinc/28/41/59/458284159.db2.gz QUVWYOSPOSMFJI-ZACQAIPSSA-N 1 0 340.427 3.487 20 5 EGBDRO Cn1c(=O)c2cc3ccccc3cc2nc1SC[C@H]1CC[N@H+](C)C1 ZINC000412984993 458288636 /nfs/dbraw/zinc/28/86/36/458288636.db2.gz DLYHFPOWLKSBSE-ZDUSSCGKSA-N 1 0 339.464 3.131 20 5 EGBDRO COc1ccc(CC[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1 ZINC000447515931 458303536 /nfs/dbraw/zinc/30/35/36/458303536.db2.gz DSOLDDOSXOEOAF-IRXDYDNUSA-N 1 0 344.415 3.116 20 5 EGBDRO COCc1ccccc1C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447544582 458308829 /nfs/dbraw/zinc/30/88/29/458308829.db2.gz UVXGYWMKDHMADZ-DLBZAZTESA-N 1 0 344.415 3.211 20 5 EGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C2CCC(F)(F)CC2)n1 ZINC000447577701 458314888 /nfs/dbraw/zinc/31/48/88/458314888.db2.gz BDFMIVCZTYMUKJ-CHWSQXEVSA-N 1 0 328.363 3.443 20 5 EGBDRO COC(=O)[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)[C@H]1C(C)C ZINC000429359547 458320653 /nfs/dbraw/zinc/32/06/53/458320653.db2.gz BCQJHUDBYQXQFP-ZFWWWQNUSA-N 1 0 340.807 3.268 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000376589684 458346494 /nfs/dbraw/zinc/34/64/94/458346494.db2.gz RRTUBHZLFIAVDC-CABCVRRESA-N 1 0 346.431 3.302 20 5 EGBDRO C[N@@H+]1CC[C@@]2(CCN(Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)C2)C1 ZINC000430133681 458407933 /nfs/dbraw/zinc/40/79/33/458407933.db2.gz QARYXSKWMAHFHC-LJQANCHMSA-N 1 0 341.411 3.382 20 5 EGBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CC3(CCCC3)[C@@H]2c2ccccc2)n1 ZINC000459570688 458414027 /nfs/dbraw/zinc/41/40/27/458414027.db2.gz FBJVLGMSEPFJDX-KRWDZBQOSA-N 1 0 326.400 3.409 20 5 EGBDRO O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000437840706 458500560 /nfs/dbraw/zinc/50/05/60/458500560.db2.gz MRYJQGGSOJYCCG-QGZVFWFLSA-N 1 0 331.416 3.122 20 5 EGBDRO COC(=O)[C@](C)(C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000468904868 458542163 /nfs/dbraw/zinc/54/21/63/458542163.db2.gz HCMIJBBRTYMUFS-AUUYWEPGSA-N 1 0 342.395 3.376 20 5 EGBDRO C[NH+](C)C1(CNCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCC1 ZINC000438340816 458565018 /nfs/dbraw/zinc/56/50/18/458565018.db2.gz RJHNDOVEZIGQKI-UHFFFAOYSA-N 1 0 329.400 3.429 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](CCO)Cc1ccccc1 ZINC000470176351 458621587 /nfs/dbraw/zinc/62/15/87/458621587.db2.gz WHGHSOKACGSTNH-VBKFSLOCSA-N 1 0 326.396 3.493 20 5 EGBDRO CCOC(=O)[C@H]1CCC[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000470174116 458621867 /nfs/dbraw/zinc/62/18/67/458621867.db2.gz QOGAVDNWYMGCOW-DNXIFWLFSA-N 1 0 332.400 3.273 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCO[C@H](COCC2CC2)C1 ZINC000470218117 458625262 /nfs/dbraw/zinc/62/52/62/458625262.db2.gz LUIQOCJVSATLNX-POUQMFDLSA-N 1 0 346.427 3.126 20 5 EGBDRO CCC[NH+](CCC)CCCc1nc(-c2ccc(N)c([N+](=O)[O-])c2)no1 ZINC000546965634 458689340 /nfs/dbraw/zinc/68/93/40/458689340.db2.gz QKYYTVWXEHXCIQ-UHFFFAOYSA-N 1 0 347.419 3.282 20 5 EGBDRO CCC[C@@H]([NH2+]C(C)C)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000503869515 458726320 /nfs/dbraw/zinc/72/63/20/458726320.db2.gz HQDZBIIZKNKIRJ-CQSZACIVSA-N 1 0 341.839 3.074 20 5 EGBDRO C[C@H]1C[N@H+](CCCNc2ccc(Cl)cc2[N+](=O)[O-])CCCO1 ZINC000432862986 458801755 /nfs/dbraw/zinc/80/17/55/458801755.db2.gz BRMNUCZOERODRL-LBPRGKRZSA-N 1 0 327.812 3.161 20 5 EGBDRO C[N@H+](CC1CC1)C[C@H]1CCN(c2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000473519779 458832553 /nfs/dbraw/zinc/83/25/53/458832553.db2.gz OFJKJNVBOLEXRX-OAHLLOKOSA-N 1 0 340.427 3.311 20 5 EGBDRO CCC1(C[NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000517995786 458835726 /nfs/dbraw/zinc/83/57/26/458835726.db2.gz CZGNFUBPUKNHLZ-AWEZNQCLSA-N 1 0 349.431 3.108 20 5 EGBDRO CC1(C)C[N@@H+](C2(CNc3ccc([N+](=O)[O-])cn3)CCCCC2)CCO1 ZINC000518200198 458848902 /nfs/dbraw/zinc/84/89/02/458848902.db2.gz MDKQQMOKALGLRM-UHFFFAOYSA-N 1 0 348.447 3.215 20 5 EGBDRO CNc1ccc(C(=O)NCCCCC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000518411746 458865367 /nfs/dbraw/zinc/86/53/67/458865367.db2.gz GHFSWZBUNUWZDN-UHFFFAOYSA-N 1 0 348.447 3.023 20 5 EGBDRO Cc1ccccc1-n1nccc1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000474739483 458899582 /nfs/dbraw/zinc/89/95/82/458899582.db2.gz VUTQHKQAYQIQIL-UHFFFAOYSA-N 1 0 336.395 3.421 20 5 EGBDRO CCOC(=O)C1(C)CCC([NH2+]CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000474892337 458905431 /nfs/dbraw/zinc/90/54/31/458905431.db2.gz IPPMGMCHUBGRSB-UHFFFAOYSA-N 1 0 334.416 3.239 20 5 EGBDRO COc1ccc(OCC[N@H+](Cc2ccco2)C(C)C)c([N+](=O)[O-])c1 ZINC000441290358 458914114 /nfs/dbraw/zinc/91/41/14/458914114.db2.gz WYADCRASKZCEPB-UHFFFAOYSA-N 1 0 334.372 3.486 20 5 EGBDRO COc1cccc(NCC2([NH+](C)C)Cc3ccccc3C2)c1[N+](=O)[O-] ZINC000475500441 458947209 /nfs/dbraw/zinc/94/72/09/458947209.db2.gz BOLWZPUUJQFGPM-UHFFFAOYSA-N 1 0 341.411 3.115 20 5 EGBDRO COc1ccc(OCC[N@@H+]2Cc3ccccc3C[C@H]2C)c([N+](=O)[O-])c1 ZINC000441479580 458951363 /nfs/dbraw/zinc/95/13/63/458951363.db2.gz QPXAQZUUJGQLKZ-CQSZACIVSA-N 1 0 342.395 3.429 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@H](CC(C)C)C1 ZINC000467175649 458955841 /nfs/dbraw/zinc/95/58/41/458955841.db2.gz KBTKXZFCLHFBCW-ZIAGYGMSSA-N 1 0 349.431 3.298 20 5 EGBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000577022246 458965379 /nfs/dbraw/zinc/96/53/79/458965379.db2.gz NWSRRHPFHOGWFR-NSHDSACASA-N 1 0 342.827 3.490 20 5 EGBDRO C[C@H]([NH2+]Cc1cccc(N2CCC2=O)c1)c1ccc([N+](=O)[O-])cc1 ZINC000442091223 458991111 /nfs/dbraw/zinc/99/11/11/458991111.db2.gz WIYIDUGVEBEBMH-ZDUSSCGKSA-N 1 0 325.368 3.182 20 5 EGBDRO COc1cc(C[N@@H+]2CC[C@@H](c3cccnc3)C2)c([N+](=O)[O-])cc1F ZINC000577489789 459041513 /nfs/dbraw/zinc/04/15/13/459041513.db2.gz YMFBAGTZYDJQJU-CYBMUJFWSA-N 1 0 331.347 3.127 20 5 EGBDRO CC(=O)NCC[C@H]1CCC[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000567085664 459045072 /nfs/dbraw/zinc/04/50/72/459045072.db2.gz DDVKFMHXIRZZQF-GSPCDJLXSA-N 1 0 345.443 3.236 20 5 EGBDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000520311543 459048415 /nfs/dbraw/zinc/04/84/15/459048415.db2.gz OFYAXHDPPLCSBX-OAHLLOKOSA-N 1 0 347.459 3.154 20 5 EGBDRO O=C1[C@@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CCN1C1CCCCC1 ZINC000594500396 459063811 /nfs/dbraw/zinc/06/38/11/459063811.db2.gz SIVXWHSDIATYSQ-IRXDYDNUSA-N 1 0 343.427 3.105 20 5 EGBDRO C[C@H]([NH2+]C(C)(C)CNC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000520498255 459064665 /nfs/dbraw/zinc/06/46/65/459064665.db2.gz YYAFLKUMIISXCG-AWEZNQCLSA-N 1 0 341.411 3.454 20 5 EGBDRO COc1ccc(C[C@@](C)([NH3+])CNc2c(F)cccc2[N+](=O)[O-])cc1 ZINC000557636833 459094107 /nfs/dbraw/zinc/09/41/07/459094107.db2.gz DMTZMVSOEAADHE-QGZVFWFLSA-N 1 0 333.363 3.115 20 5 EGBDRO C[N@H+](CC1CCCCC1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000532901094 459157897 /nfs/dbraw/zinc/15/78/97/459157897.db2.gz ZXBJQGFKZBDTAG-KRWDZBQOSA-N 1 0 331.416 3.212 20 5 EGBDRO O=C(CC[NH2+][C@H]1CCc2cc(F)ccc21)Nc1ccccc1[N+](=O)[O-] ZINC000558579879 459175806 /nfs/dbraw/zinc/17/58/06/459175806.db2.gz PTKIXHMPUDRNAK-HNNXBMFYSA-N 1 0 343.358 3.340 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000567907534 459188374 /nfs/dbraw/zinc/18/83/74/459188374.db2.gz KUAYDNZPAGAYGM-SKTWIKFTSA-N 1 0 329.444 3.416 20 5 EGBDRO O=[N+]([O-])c1ccc2oc(C[NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCCC4)nc2c1 ZINC000590726625 459196199 /nfs/dbraw/zinc/19/61/99/459196199.db2.gz CYFQVIADYARXQD-VUCTXSBTSA-N 1 0 343.383 3.173 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H](CO)Cc1ccc(F)cc1 ZINC000480485763 459200823 /nfs/dbraw/zinc/20/08/23/459200823.db2.gz FIUTZSHYWZSHKZ-MOVXZBDNSA-N 1 0 344.386 3.330 20 5 EGBDRO COc1cccc2c1CN(Cc1nc3cc([N+](=O)[O-])ccc3[nH]1)CC2 ZINC000590760128 459207634 /nfs/dbraw/zinc/20/76/34/459207634.db2.gz WKYZJQQEQUAECG-UHFFFAOYSA-N 1 0 338.367 3.038 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1ccc(NC(C)=O)cc1 ZINC000595003361 459211733 /nfs/dbraw/zinc/21/17/33/459211733.db2.gz DZGSVLLOPXZAKX-LBPRGKRZSA-N 1 0 343.383 3.413 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCCC(=O)OC(C)(C)C ZINC000595011474 459214877 /nfs/dbraw/zinc/21/48/77/459214877.db2.gz HREFVIRPUVJWRO-GFCCVEGCSA-N 1 0 338.404 3.376 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H](C)Cn1ccnc1C ZINC000595015568 459217027 /nfs/dbraw/zinc/21/70/27/459217027.db2.gz ZBYLEQNKKZOVEU-STQMWFEESA-N 1 0 332.404 3.095 20 5 EGBDRO CC(C)(C)N1C[C@@H](C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1=O ZINC000595098604 459244746 /nfs/dbraw/zinc/24/47/46/459244746.db2.gz CCLLRIIMYQLCDI-CXAGYDPISA-N 1 0 345.443 3.209 20 5 EGBDRO CCSC1(C[NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000595099658 459245801 /nfs/dbraw/zinc/24/58/01/459245801.db2.gz NFFNKJVXEWNBBG-GFCCVEGCSA-N 1 0 337.445 3.187 20 5 EGBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CC(=O)N(C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000595105135 459246561 /nfs/dbraw/zinc/24/65/61/459246561.db2.gz QMOAQIRKKZUIFJ-ZIAGYGMSSA-N 1 0 333.432 3.201 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000559295864 459249394 /nfs/dbraw/zinc/24/93/94/459249394.db2.gz BVHORRDDWZPNMF-UHFFFAOYSA-N 1 0 335.448 3.156 20 5 EGBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2C[C@H](O)C[C@H]2c2ccccc2)cc1 ZINC000591046179 459300686 /nfs/dbraw/zinc/30/06/86/459300686.db2.gz ASSNGYOCZWZYMC-MJGOQNOKSA-N 1 0 342.395 3.172 20 5 EGBDRO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](C3CCC3)C2)cccc1[N+](=O)[O-] ZINC000591063042 459302929 /nfs/dbraw/zinc/30/29/29/459302929.db2.gz HJELWNOGMOMLHV-UKRRQHHQSA-N 1 0 331.416 3.352 20 5 EGBDRO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C3CCC3)C2)c([N+](=O)[O-])c1 ZINC000591061949 459303575 /nfs/dbraw/zinc/30/35/75/459303575.db2.gz PEFZSGGNSHVLFW-GXTWGEPZSA-N 1 0 347.415 3.052 20 5 EGBDRO CCOc1ccc(NC(=O)C[N@H+](CC)C[C@@H](C)CC)c([N+](=O)[O-])c1 ZINC000482888071 459329525 /nfs/dbraw/zinc/32/95/25/459329525.db2.gz QPFSTTZUWYLWRQ-ZDUSSCGKSA-N 1 0 337.420 3.300 20 5 EGBDRO C[C@@H](C[N@H+](C)Cc1ccc(F)cc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000595533360 459337052 /nfs/dbraw/zinc/33/70/52/459337052.db2.gz KFLVUUGQBSCLMM-NSHDSACASA-N 1 0 326.368 3.144 20 5 EGBDRO CC(C)(C)c1ccc(NC(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)cc1[N+](=O)[O-] ZINC000591306221 459350213 /nfs/dbraw/zinc/35/02/13/459350213.db2.gz PFIFYAVMDYSVFQ-SWLSCSKDSA-N 1 0 346.431 3.108 20 5 EGBDRO COC1CCN(CC[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000591347955 459358632 /nfs/dbraw/zinc/35/86/32/459358632.db2.gz JOFBAZDCHKIUGF-LJQANCHMSA-N 1 0 347.459 3.063 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCCN(CC(F)F)CC1 ZINC000568894731 459362201 /nfs/dbraw/zinc/36/22/01/459362201.db2.gz VJMWQDJUTSRRFM-GXDHUFHOSA-N 1 0 339.386 3.271 20 5 EGBDRO C[C@H]1CCC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H]1CCO ZINC000595697537 459401946 /nfs/dbraw/zinc/40/19/46/459401946.db2.gz LQGZGNLSGSCZHG-GUYCJALGSA-N 1 0 345.399 3.233 20 5 EGBDRO CC(C)c1ccc(C(=O)Nc2cnc3c(c2)C[NH2+]CC3)cc1[N+](=O)[O-] ZINC000591681291 459421440 /nfs/dbraw/zinc/42/14/40/459421440.db2.gz CNNDBZPQVILPCN-UHFFFAOYSA-N 1 0 340.383 3.011 20 5 EGBDRO O=C(NC[C@H]1CCC[NH2+]1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000591678789 459421769 /nfs/dbraw/zinc/42/17/69/459421769.db2.gz IBJPSGLSYZCDJM-GFCCVEGCSA-N 1 0 349.456 3.111 20 5 EGBDRO CC(C)CC[C@H]1CCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000541350655 459447802 /nfs/dbraw/zinc/44/78/02/459447802.db2.gz NCFJPWBTBPSYMS-HZPDHXFCSA-N 1 0 336.432 3.235 20 5 EGBDRO CN(c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1)[C@@H]1CCC[N@H+](C)C1 ZINC000485404953 459453927 /nfs/dbraw/zinc/45/39/27/459453927.db2.gz LWVNYYZHXNTMAC-OAHLLOKOSA-N 1 0 344.390 3.326 20 5 EGBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2C[C@H](c3ccccc3)[C@H]3CCCC[C@@H]32)c1 ZINC000485884379 459477534 /nfs/dbraw/zinc/47/75/34/459477534.db2.gz WZKRHEYMCONFDF-QRVBRYPASA-N 1 0 340.427 3.450 20 5 EGBDRO CC[NH+](CC)Cc1cccc(CNc2cc[nH]c(=O)c2[N+](=O)[O-])c1 ZINC000596081130 459512320 /nfs/dbraw/zinc/51/23/20/459512320.db2.gz SECMZDQJHKUAAE-UHFFFAOYSA-N 1 0 330.388 3.149 20 5 EGBDRO Cc1cc(N[C@H]2CCO[C@@H](C(C)C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000542120999 459527262 /nfs/dbraw/zinc/52/72/62/459527262.db2.gz JOWQOBFNWBBTDG-SCLBCKFNSA-N 1 0 329.400 3.489 20 5 EGBDRO C[C@H]1C[C@@H](Nc2cc[nH]c(=O)c2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000596152712 459540068 /nfs/dbraw/zinc/54/00/68/459540068.db2.gz LQIIYUOKYDXTFC-ZFWWWQNUSA-N 1 0 342.399 3.160 20 5 EGBDRO CCCN(C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CC[N@H+](C)C1 ZINC000592212167 459550218 /nfs/dbraw/zinc/55/02/18/459550218.db2.gz DDXHZJJDHJAGJA-LBPRGKRZSA-N 1 0 340.811 3.196 20 5 EGBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592254489 459561530 /nfs/dbraw/zinc/56/15/30/459561530.db2.gz FETFPHYSTAKFQE-HOTGVXAUSA-N 1 0 345.443 3.063 20 5 EGBDRO C[NH+](C)C1(CNC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CCCC1 ZINC000498170300 459572013 /nfs/dbraw/zinc/57/20/13/459572013.db2.gz WXUBMPNVTBQEBK-UHFFFAOYSA-N 1 0 347.459 3.497 20 5 EGBDRO CC(C)n1cc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cn1 ZINC000542573330 459572448 /nfs/dbraw/zinc/57/24/48/459572448.db2.gz HJKKJDQHIRVADY-STQMWFEESA-N 1 0 345.403 3.050 20 5 EGBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000596243774 459573134 /nfs/dbraw/zinc/57/31/34/459573134.db2.gz JJQZLKFZIXOVTI-IUODEOHRSA-N 1 0 344.390 3.325 20 5 EGBDRO Cc1cc(N2CCC([NH2+][C@@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)n[nH]1 ZINC000527123376 459595770 /nfs/dbraw/zinc/59/57/70/459595770.db2.gz JFFLXZNMGUBQEG-AWEZNQCLSA-N 1 0 343.431 3.254 20 5 EGBDRO CC(C)c1ccc(C(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000527135899 459597731 /nfs/dbraw/zinc/59/77/31/459597731.db2.gz YACZBFSXWRKERY-CQSZACIVSA-N 1 0 333.432 3.178 20 5 EGBDRO Cc1cnc(NCC2CC[NH+](Cc3ccncc3)CC2)c([N+](=O)[O-])c1 ZINC000596443505 459638027 /nfs/dbraw/zinc/63/80/27/459638027.db2.gz YLZGHZZXLKODMZ-UHFFFAOYSA-N 1 0 341.415 3.017 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCO[C@H](c2nccn2C)C1 ZINC000562784340 459646454 /nfs/dbraw/zinc/64/64/54/459646454.db2.gz XACQPESYSQUUKJ-ZQIUZPCESA-N 1 0 344.415 3.208 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1cccnc1C ZINC000562784473 459646605 /nfs/dbraw/zinc/64/66/05/459646605.db2.gz RIDVCFPTTUMQCC-OCCSQVGLSA-N 1 0 342.399 3.284 20 5 EGBDRO COc1cc(NC[C@@H]2CCC[N@H+](CC3CC3)C2)c(F)cc1[N+](=O)[O-] ZINC000596571542 459681295 /nfs/dbraw/zinc/68/12/95/459681295.db2.gz VGXQMYRGPQLPRA-ZDUSSCGKSA-N 1 0 337.395 3.276 20 5 EGBDRO CC(C)n1cc([C@H](C)[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])cn1 ZINC000544467980 459763139 /nfs/dbraw/zinc/76/31/39/459763139.db2.gz HKTBLWFGOQUTJG-ZDUSSCGKSA-N 1 0 345.403 3.052 20 5 EGBDRO C[C@@H]1[C@H](C)N(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[C@@H](C)CN1C ZINC000593188024 459801358 /nfs/dbraw/zinc/80/13/58/459801358.db2.gz UDDDMAZAPVFBEE-TUAOUCFPSA-N 1 0 347.440 3.363 20 5 EGBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000574534248 459831084 /nfs/dbraw/zinc/83/10/84/459831084.db2.gz ODQRLLSLRUOSOU-GOSISDBHSA-N 1 0 345.443 3.003 20 5 EGBDRO CN(C)[C@@H](C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccccc1 ZINC000575136874 459935314 /nfs/dbraw/zinc/93/53/14/459935314.db2.gz MMGITLZNHMZWIX-MJGOQNOKSA-N 1 0 325.412 3.475 20 5 EGBDRO CN(Cc1ccccc1OCCCCO)Cc1ccccc1[N+](=O)[O-] ZINC000602438568 459937402 /nfs/dbraw/zinc/93/74/02/459937402.db2.gz FSVLNZRGRUVANJ-UHFFFAOYSA-N 1 0 344.411 3.378 20 5 EGBDRO COCC1CC[NH+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602464202 459950928 /nfs/dbraw/zinc/95/09/28/459950928.db2.gz LBMORYQNSAKLJK-UHFFFAOYSA-N 1 0 332.322 3.472 20 5 EGBDRO CCC(CC)C(=O)N1CCC([NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000602517255 459979720 /nfs/dbraw/zinc/97/97/20/459979720.db2.gz DHDFSYPSILMEBR-UHFFFAOYSA-N 1 0 347.459 3.154 20 5 EGBDRO Cc1csc([C@@H](C)[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)n1 ZINC000602529562 459985133 /nfs/dbraw/zinc/98/51/33/459985133.db2.gz GGPCIMITKUNSRU-GFCCVEGCSA-N 1 0 347.444 3.074 20 5 EGBDRO C[C@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]1CO ZINC000598676197 459987998 /nfs/dbraw/zinc/98/79/98/459987998.db2.gz DMELPCOWUIJCQI-DZGCQCFKSA-N 1 0 330.384 3.305 20 5 EGBDRO C[C@H]1CC([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C[C@H](C)C1 ZINC000602555193 459995224 /nfs/dbraw/zinc/99/52/24/459995224.db2.gz PEHSNOARAXNIBB-ZIAGYGMSSA-N 1 0 332.448 3.373 20 5 EGBDRO C[C@H](C[C@H]1CCOC1)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602566598 459999581 /nfs/dbraw/zinc/99/95/81/459999581.db2.gz FAXVYJQUDDBGCP-RKDXNWHRSA-N 1 0 349.250 3.324 20 5 EGBDRO C[C@@H](O)C[C@@H](C[NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000602569181 460000653 /nfs/dbraw/zinc/00/06/53/460000653.db2.gz OSPKRWPXBIENBT-QAPCUYQASA-N 1 0 328.412 3.282 20 5 EGBDRO CN(C)[C@@H](C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)c1cccs1 ZINC000602586213 460010651 /nfs/dbraw/zinc/01/06/51/460010651.db2.gz KVVNXBBKZWEBGE-ZDUSSCGKSA-N 1 0 346.412 3.190 20 5 EGBDRO C[C@@H]1CCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[C@H]1CC[NH3+] ZINC000593917604 460017246 /nfs/dbraw/zinc/01/72/46/460017246.db2.gz WOEQDSIEYUJCOJ-RISCZKNCSA-N 1 0 347.440 3.399 20 5 EGBDRO C[C@@]1(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CCO[C@@H]1C1CC1 ZINC000602611437 460020970 /nfs/dbraw/zinc/02/09/70/460020970.db2.gz NSVOAOSWMSQGJY-SJORKVTESA-N 1 0 331.372 3.031 20 5 EGBDRO O=[N+]([O-])c1cncc(Cl)c1NCc1ccccc1C[NH+]1CCCC1 ZINC000589106196 460030787 /nfs/dbraw/zinc/03/07/87/460030787.db2.gz OMKKQALTSWSEOO-UHFFFAOYSA-N 1 0 346.818 3.273 20 5 EGBDRO O=C1[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CCCN1C1CCCCC1 ZINC000602627338 460031289 /nfs/dbraw/zinc/03/12/89/460031289.db2.gz RDAJOQBPAHVIQW-SFHVURJKSA-N 1 0 345.443 3.051 20 5 EGBDRO Cc1csc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1 ZINC000602676801 460060596 /nfs/dbraw/zinc/06/05/96/460060596.db2.gz RHHIJMSHLSFXSH-UHFFFAOYSA-N 1 0 332.429 3.118 20 5 EGBDRO CC1(C)C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@@H]1[C@@H]1CCCO1 ZINC000589272896 460066658 /nfs/dbraw/zinc/06/66/58/460066658.db2.gz SCBXWHNZGYQAAA-DLBZAZTESA-N 1 0 334.416 3.253 20 5 EGBDRO CCC(C)(C)[NH+]1CCN(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000594057845 460079899 /nfs/dbraw/zinc/07/98/99/460079899.db2.gz BSCPUMGXJZFNBZ-UHFFFAOYSA-N 1 0 334.420 3.241 20 5 EGBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594109024 460104874 /nfs/dbraw/zinc/10/48/74/460104874.db2.gz MYUSDXWYFRVKKF-WBVHZDCISA-N 1 0 346.431 3.296 20 5 EGBDRO COc1cc(C[NH2+]CC(C)(C)c2ccc(C)cn2)c([N+](=O)[O-])cc1O ZINC000598990497 460118731 /nfs/dbraw/zinc/11/87/31/460118731.db2.gz GFOJGDARPLPOJP-UHFFFAOYSA-N 1 0 345.399 3.080 20 5 EGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CCCN1CC(F)F ZINC000598988344 460119188 /nfs/dbraw/zinc/11/91/88/460119188.db2.gz PBCFYPHNDXETCH-RQPMMQJISA-N 1 0 339.386 3.317 20 5 EGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H]1/C=C/c1ccccc1 ZINC000602808624 460138839 /nfs/dbraw/zinc/13/88/39/460138839.db2.gz YILSDFHFJCMJMT-FVNWOWOISA-N 1 0 326.400 3.278 20 5 EGBDRO Cc1c([C@H](C)[NH2+][C@@H]2Cc3ccccc3NC2=O)cccc1[N+](=O)[O-] ZINC000599073674 460152571 /nfs/dbraw/zinc/15/25/71/460152571.db2.gz HBGPZWAFIQALFX-BLLLJJGKSA-N 1 0 325.368 3.117 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1Cc2ccccc2NC1=O ZINC000599075102 460154009 /nfs/dbraw/zinc/15/40/09/460154009.db2.gz SXKIYPIFJLSPTF-SJCJKPOMSA-N 1 0 325.368 3.117 20 5 EGBDRO CCOC(=O)c1cc(N[C@H](CC)C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000610715930 460223747 /nfs/dbraw/zinc/22/37/47/460223747.db2.gz GRRBCDOKAAJDSU-CYBMUJFWSA-N 1 0 335.404 3.058 20 5 EGBDRO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)Cc1ccoc1 ZINC000610943787 460263799 /nfs/dbraw/zinc/26/37/99/460263799.db2.gz IQXNBGWQWNMPNH-UHFFFAOYSA-N 1 0 347.371 3.047 20 5 EGBDRO CN(CCCC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000610962032 460267064 /nfs/dbraw/zinc/26/70/64/460267064.db2.gz FCHOHSQEKOENEK-UHFFFAOYSA-N 1 0 347.337 3.027 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1OC[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000611112947 460290355 /nfs/dbraw/zinc/29/03/55/460290355.db2.gz DSHBQPHTWJXNGR-KRWDZBQOSA-N 1 0 344.411 3.083 20 5 EGBDRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)c3ccc([N+](=O)[O-])cn3)C2)s1 ZINC000603402281 460298012 /nfs/dbraw/zinc/29/80/12/460298012.db2.gz QBNVHDBDERQIIK-AWEZNQCLSA-N 1 0 346.456 3.318 20 5 EGBDRO CC(C)(C)C[N@H+](CCO)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000611269638 460323007 /nfs/dbraw/zinc/32/30/07/460323007.db2.gz SEKSBQVNJOYACZ-UHFFFAOYSA-N 1 0 332.347 3.037 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3nccc4ccccc43)C2)nc1 ZINC000611272511 460324693 /nfs/dbraw/zinc/32/46/93/460324693.db2.gz PKUYQHUPNVRBEH-HNNXBMFYSA-N 1 0 349.394 3.224 20 5 EGBDRO Cc1cc(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])ncn1 ZINC000611337291 460339304 /nfs/dbraw/zinc/33/93/04/460339304.db2.gz VHPKGSPANAGGJG-WMLDXEAASA-N 1 0 326.400 3.194 20 5 EGBDRO O=[N+]([O-])c1ccc(CC[N@H+]2C[C@H]3CN(c4ccccc4)C[C@H]3C2)cc1 ZINC000603905996 460356741 /nfs/dbraw/zinc/35/67/41/460356741.db2.gz NYIVNRVLJMZPOY-HDICACEKSA-N 1 0 337.423 3.206 20 5 EGBDRO CCOc1ccc(NC(=O)C[NH2+]C(C(C)C)C(C)C)c([N+](=O)[O-])c1 ZINC000611434236 460364001 /nfs/dbraw/zinc/36/40/01/460364001.db2.gz ZFMNRPBLDWDQRN-UHFFFAOYSA-N 1 0 337.420 3.202 20 5 EGBDRO O=C(c1cccc([N+](=O)[O-])c1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000604187261 460386646 /nfs/dbraw/zinc/38/66/46/460386646.db2.gz HFJYJWSBILNABO-UHFFFAOYSA-N 1 0 345.443 3.323 20 5 EGBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]C[C@H]1CCCC(F)(F)C1)OCCO2 ZINC000619715514 460420957 /nfs/dbraw/zinc/42/09/57/460420957.db2.gz PHBVJCZZEDUKQY-NSHDSACASA-N 1 0 342.342 3.281 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000616118999 460476574 /nfs/dbraw/zinc/47/65/74/460476574.db2.gz HZVPRGCERUQRFM-CYBMUJFWSA-N 1 0 334.420 3.063 20 5 EGBDRO C[C@@H]1CN(c2ccccc2F)CCN1Cc1ccccc1[N+](=O)[O-] ZINC000616132505 460479446 /nfs/dbraw/zinc/47/94/46/460479446.db2.gz MIYBPKGTSCKAEA-CQSZACIVSA-N 1 0 329.375 3.445 20 5 EGBDRO CC[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000612121336 460548036 /nfs/dbraw/zinc/54/80/36/460548036.db2.gz IWUJSBQXSJKHKP-CVEARBPZSA-N 1 0 336.432 3.283 20 5 EGBDRO Cc1ncc([C@H](C)[NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)s1 ZINC000601299250 460780347 /nfs/dbraw/zinc/78/03/47/460780347.db2.gz WKKGZLLXNUSOSB-MNOVXSKESA-N 1 0 348.428 3.428 20 5 EGBDRO CN(C)c1cc[nH+]c(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000613031314 460807517 /nfs/dbraw/zinc/80/75/17/460807517.db2.gz XWRIHFWHQUJVHU-UHFFFAOYSA-N 1 0 346.362 3.111 20 5 EGBDRO C[C@@H](NC(=O)c1c(F)cccc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000601422539 460807828 /nfs/dbraw/zinc/80/78/28/460807828.db2.gz RYHUZWWSKFSFCJ-CHWSQXEVSA-N 1 0 349.406 3.117 20 5 EGBDRO O=[N+]([O-])c1ncccc1NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000617474761 460872511 /nfs/dbraw/zinc/87/25/11/460872511.db2.gz VRXOTNOWHRZQNH-HNNXBMFYSA-N 1 0 344.440 3.019 20 5 EGBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000613295526 460899556 /nfs/dbraw/zinc/89/95/56/460899556.db2.gz PBWSPMNVDIZCFC-AWEZNQCLSA-N 1 0 334.420 3.208 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000175057779 534341235 /nfs/dbraw/zinc/34/12/35/534341235.db2.gz UQMSRSRIORFIRN-UHFFFAOYSA-N 1 0 346.431 3.432 20 5 EGBDRO CC(C)(C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1)c1ccccc1[N+](=O)[O-] ZINC000350681069 534349077 /nfs/dbraw/zinc/34/90/77/534349077.db2.gz HKYVWLYGNGVUBQ-OAHLLOKOSA-N 1 0 345.443 3.006 20 5 EGBDRO O=C(CC[N@@H+]1CCc2c(F)cccc2C1)Nc1ccccc1[N+](=O)[O-] ZINC000152799733 534412871 /nfs/dbraw/zinc/41/28/71/534412871.db2.gz LYGSVSOUTVCXNV-UHFFFAOYSA-N 1 0 343.358 3.121 20 5 EGBDRO Cc1cc(NC[C@H]2CCC[N@@H+](C)C2)c(Br)cc1[N+](=O)[O-] ZINC000234346502 525275690 /nfs/dbraw/zinc/27/56/90/525275690.db2.gz JWDUYJDCKCLFOR-LLVKDONJSA-N 1 0 342.237 3.419 20 5 EGBDRO CC(C)(C)OC(=O)NC[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)C1CC1 ZINC000153832109 526468331 /nfs/dbraw/zinc/46/83/31/526468331.db2.gz SIAFKGPVRQRWIH-GFCCVEGCSA-N 1 0 341.433 3.049 20 5 EGBDRO CC[C@@H]([NH2+]C[C@H](O)COCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000178654140 529178768 /nfs/dbraw/zinc/17/87/68/529178768.db2.gz LYIICXVZKSONBQ-RBUKOAKNSA-N 1 0 344.411 3.213 20 5 EGBDRO CCSc1cc(C[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)ccn1 ZINC000189580141 529238728 /nfs/dbraw/zinc/23/87/28/529238728.db2.gz KOZONLQRKXUVAS-UHFFFAOYSA-N 1 0 333.413 3.400 20 5 EGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC000246568352 535022482 /nfs/dbraw/zinc/02/24/82/535022482.db2.gz HNEICGVPSIIMJE-WMLDXEAASA-N 1 0 334.416 3.383 20 5 EGBDRO CCN(CCC[NH+](CC)CC)c1ncnc2sc([N+](=O)[O-])cc21 ZINC000343214491 535507660 /nfs/dbraw/zinc/50/76/60/535507660.db2.gz IRVYSPHRERVJTG-UHFFFAOYSA-N 1 0 337.449 3.158 20 5 EGBDRO COc1cccc([C@H](CNc2nccc(C)c2[N+](=O)[O-])[NH+](C)C)c1 ZINC000265275748 537141815 /nfs/dbraw/zinc/14/18/15/537141815.db2.gz VNNAADSWNPDFQV-HNNXBMFYSA-N 1 0 330.388 3.022 20 5 EGBDRO C[C@H](CC(=O)OC(C)(C)C)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000731452812 575075064 /nfs/dbraw/zinc/07/50/64/575075064.db2.gz OGMRKPDVYWJCTJ-SNVBAGLBSA-N 1 0 328.796 3.458 20 5 EGBDRO CC1CCC([NH+]2CCN(c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC2)CC1 ZINC000734482274 575492595 /nfs/dbraw/zinc/49/25/95/575492595.db2.gz MRHBLFNXWHFZJD-UHFFFAOYSA-N 1 0 348.403 3.204 20 5 EGBDRO O=[N+]([O-])c1ccc2nc(N3CC[C@@H](C[NH+]4CCCC4)C3)sc2c1 ZINC000739897213 576516488 /nfs/dbraw/zinc/51/64/88/576516488.db2.gz BPIZQKLMJKNBIG-LBPRGKRZSA-N 1 0 332.429 3.127 20 5 EGBDRO CN(C[C@H]1CCC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000741242576 576668169 /nfs/dbraw/zinc/66/81/69/576668169.db2.gz PVZBPJPSYXDSFV-NSHDSACASA-N 1 0 331.338 3.392 20 5 EGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](N2CCCCC2=O)C1 ZINC000743848590 576816798 /nfs/dbraw/zinc/81/67/98/576816798.db2.gz TZZIFUWWFJNCGR-HUUCEWRRSA-N 1 0 331.416 3.133 20 5 EGBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(-c2nn[nH]n2)c1 ZINC000820410019 599693832 /nfs/dbraw/zinc/69/38/32/599693832.db2.gz CAAVEARZPGRMOJ-NEPJUHHUSA-N 1 0 338.371 3.187 20 5 EGBDRO C[N@@H+]1CCC[C@@]2(CCN(c3ncc([N+](=O)[O-])c4ccccc43)C2)C1 ZINC000884516786 1302894631 /nfs/dbraw/zinc/89/46/31/1302894631.db2.gz UIOPEJVKAKWSMA-GOSISDBHSA-N 1 0 326.400 3.065 20 5 EGBDRO O=[N+]([O-])c1ccc(NCCCCC[NH+]2CCCCC2)c2nonc21 ZINC000036188007 1291395299 /nfs/dbraw/zinc/39/52/99/1291395299.db2.gz WEWPYTHXYBFUJJ-UHFFFAOYSA-N 1 0 333.392 3.199 20 5 EGBDRO Cc1ccc(C[C@H](CO)[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1C ZINC000834912672 1293175090 /nfs/dbraw/zinc/17/50/90/1293175090.db2.gz SXVMGZIGWFKRJV-WMLDXEAASA-N 1 0 343.427 3.048 20 5 EGBDRO CCC[C@H]1CCC[N@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000121367383 1293367754 /nfs/dbraw/zinc/36/77/54/1293367754.db2.gz LLJCNIOWJBAHLG-AWEZNQCLSA-N 1 0 329.404 3.323 20 5 EGBDRO C[NH+](C)CC[C@H](NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)C(C)(C)C ZINC000157900431 1294190659 /nfs/dbraw/zinc/19/06/59/1294190659.db2.gz PROPDASTTKNDHT-AWEZNQCLSA-N 1 0 341.839 3.344 20 5 EGBDRO CC(C)c1ccc(C[N@@H+]2CCC[C@H](C3OCCO3)C2)cc1[N+](=O)[O-] ZINC000179371096 1294789879 /nfs/dbraw/zinc/78/98/79/1294789879.db2.gz GSIYFEOKIKXNDN-HNNXBMFYSA-N 1 0 334.416 3.303 20 5 EGBDRO C[C@@H]1OCC[C@]1(C)[NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000230155760 1296161085 /nfs/dbraw/zinc/16/10/85/1296161085.db2.gz TYZGUNGTUSLNMZ-ZANVPECISA-N 1 0 329.194 3.014 20 5 EGBDRO COC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1Br)C(C)C ZINC000234703936 1296180126 /nfs/dbraw/zinc/18/01/26/1296180126.db2.gz PLKWZHHXZLNYSF-NSHDSACASA-N 1 0 331.210 3.118 20 5 EGBDRO CSc1ccc([N+](=O)[O-])c(-c2nc(C3C[C@H]4CC[C@@H](C3)[NH2+]4)no2)c1 ZINC000871794011 1296536327 /nfs/dbraw/zinc/53/63/27/1296536327.db2.gz KZKCIDJCUBTMMS-FGWVZKOKSA-N 1 0 346.412 3.365 20 5 EGBDRO CC(C)(c1nc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)no1)c1ccccc1[N+](=O)[O-] ZINC000871799632 1296540965 /nfs/dbraw/zinc/54/09/65/1296540965.db2.gz MHKJBJSXBMNDII-YHWZYXNKSA-N 1 0 342.399 3.302 20 5 EGBDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000255587431 1296550688 /nfs/dbraw/zinc/55/06/88/1296550688.db2.gz COSMFTAATLNLSO-CGQZWFTASA-N 1 0 345.443 3.092 20 5 EGBDRO C[C@@H]([NH2+]C1CC(NC(=O)OC(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000310021259 1297082620 /nfs/dbraw/zinc/08/26/20/1297082620.db2.gz FYMOEVHBQPVTNV-LMWSTFAQSA-N 1 0 335.404 3.301 20 5 EGBDRO Cc1c(C[NH2+]Cc2ccnc(N3CCCC3)c2)cccc1[N+](=O)[O-] ZINC000873011424 1297221045 /nfs/dbraw/zinc/22/10/45/1297221045.db2.gz YDDPBCJDDSXMEW-UHFFFAOYSA-N 1 0 326.400 3.188 20 5 EGBDRO Cc1cc(N2CCC([NH2+]Cc3c(C)ccc([N+](=O)[O-])c3C)CC2)n[nH]1 ZINC000873112220 1297274473 /nfs/dbraw/zinc/27/44/73/1297274473.db2.gz RRRNAUXARNSORF-UHFFFAOYSA-N 1 0 343.431 3.002 20 5 EGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H]3C[C@H](O)C3)o2)c(Cl)c1 ZINC000873177608 1297327976 /nfs/dbraw/zinc/32/79/76/1297327976.db2.gz XFJFQVXCCPELIC-UMSPYCQHSA-N 1 0 336.775 3.369 20 5 EGBDRO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000400390170 1297728644 /nfs/dbraw/zinc/72/86/44/1297728644.db2.gz ZQWDEOOCTMWQPL-DZGCQCFKSA-N 1 0 349.431 3.472 20 5 EGBDRO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000400390174 1297729147 /nfs/dbraw/zinc/72/91/47/1297729147.db2.gz ZQWDEOOCTMWQPL-ZFWWWQNUSA-N 1 0 349.431 3.472 20 5 EGBDRO C[N@@H+]1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C2(CCCCC2)C1 ZINC000746014218 1298512268 /nfs/dbraw/zinc/51/22/68/1298512268.db2.gz XNHQTKVEWJLRFB-YFHOEESVSA-N 1 0 343.427 3.085 20 5 EGBDRO CC[C@@H](C(=O)OCc1cc(Cl)ccc1[N+](=O)[O-])[NH+](CC)CC ZINC000746075581 1298525193 /nfs/dbraw/zinc/52/51/93/1298525193.db2.gz IEZZRSJZLICMQH-ZDUSSCGKSA-N 1 0 328.796 3.412 20 5 EGBDRO Cc1cc(NC[C@]2([NH+](C)C)CCSC2)c(Cl)cc1[N+](=O)[O-] ZINC000748284252 1298976432 /nfs/dbraw/zinc/97/64/32/1298976432.db2.gz XJQAJSYHSFZTTK-CQSZACIVSA-N 1 0 329.853 3.406 20 5 EGBDRO C[NH+]1CCN(c2ccc(NCCc3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC000876838121 1299025181 /nfs/dbraw/zinc/02/51/81/1299025181.db2.gz IKJDJFSDANYAJQ-UHFFFAOYSA-N 1 0 340.427 3.001 20 5 EGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]C[C@H](O)c1ccccc1 ZINC000876890572 1299051571 /nfs/dbraw/zinc/05/15/71/1299051571.db2.gz CDIKBYIKLQGHLB-HNNXBMFYSA-N 1 0 340.301 3.437 20 5 EGBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(N2CCOC2=O)cc1 ZINC000748820298 1299088053 /nfs/dbraw/zinc/08/80/53/1299088053.db2.gz TZDSXLIMXMTJCS-CYBMUJFWSA-N 1 0 341.367 3.402 20 5 EGBDRO Cc1cc(C(=O)Nc2ccc(C[NH+](C)C)c(F)c2)ccc1[N+](=O)[O-] ZINC000749155801 1299156923 /nfs/dbraw/zinc/15/69/23/1299156923.db2.gz UTGSABKOSZOTGO-UHFFFAOYSA-N 1 0 331.347 3.356 20 5 EGBDRO CCc1ccc(C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)cc1[N+](=O)[O-] ZINC000877136367 1299175475 /nfs/dbraw/zinc/17/54/75/1299175475.db2.gz FFFWVQVWCWJTHQ-JKSUJKDBSA-N 1 0 325.368 3.224 20 5 EGBDRO C[NH+](C)C[C@H]1CCCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000749393645 1299208131 /nfs/dbraw/zinc/20/81/31/1299208131.db2.gz YIEDSPNPCLIBOQ-LLVKDONJSA-N 1 0 331.338 3.392 20 5 EGBDRO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000749564565 1299238747 /nfs/dbraw/zinc/23/87/47/1299238747.db2.gz FOASZSCTVBNZED-HNNXBMFYSA-N 1 0 339.823 3.081 20 5 EGBDRO O=[N+]([O-])c1ccc2oc(=S)n(C[N@@H+]3CC[C@H]([C@@H]4CCOC4)C3)c2c1 ZINC000749796768 1299274328 /nfs/dbraw/zinc/27/43/28/1299274328.db2.gz IYGUQTOLXREUNL-NWDGAFQWSA-N 1 0 349.412 3.188 20 5 EGBDRO Cc1cc(C(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)ccc1[N+](=O)[O-] ZINC000750587778 1299430872 /nfs/dbraw/zinc/43/08/72/1299430872.db2.gz RTJRKRDWCDQFIU-UHFFFAOYSA-N 1 0 341.411 3.237 20 5 EGBDRO C[NH+](C)CCN(C(=O)c1cc(F)ccc1[N+](=O)[O-])C1CCCCC1 ZINC000751110390 1299510532 /nfs/dbraw/zinc/51/05/32/1299510532.db2.gz MKNXYIHQZLHQTR-UHFFFAOYSA-N 1 0 337.395 3.070 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCCN(C(=O)CC(C)C)CC1 ZINC000877773529 1299548474 /nfs/dbraw/zinc/54/84/74/1299548474.db2.gz RYVQCUSVUUYRIY-UHFFFAOYSA-N 1 0 347.459 3.292 20 5 EGBDRO CCC(CC)[N@H+](CN1CCN(c2ccccc2[N+](=O)[O-])C1=O)C1CC1 ZINC000752787765 1299794479 /nfs/dbraw/zinc/79/44/79/1299794479.db2.gz ADAULOILOLDROD-UHFFFAOYSA-N 1 0 346.431 3.447 20 5 EGBDRO CCCC[N@H+](CN1CCN(c2ccccc2[N+](=O)[O-])C1=O)C1CC1 ZINC000752787048 1299794739 /nfs/dbraw/zinc/79/47/39/1299794739.db2.gz VUFSWFORFKXGDV-UHFFFAOYSA-N 1 0 332.404 3.059 20 5 EGBDRO C[N@H+](CC1CCCCC1)CN1CCN(c2ccccc2[N+](=O)[O-])C1=O ZINC000752786635 1299794789 /nfs/dbraw/zinc/79/47/89/1299794789.db2.gz QZTHTWGUARLXDZ-UHFFFAOYSA-N 1 0 346.431 3.306 20 5 EGBDRO Cc1ccc([C@H](C)NC(=O)NC[C@@H](C)[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000752894468 1299813176 /nfs/dbraw/zinc/81/31/76/1299813176.db2.gz XZJMYXUTCCBIGS-CABCVRRESA-N 1 0 348.447 3.138 20 5 EGBDRO NC(=O)C[C@@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])C1CCCCC1 ZINC000754506534 1300156226 /nfs/dbraw/zinc/15/62/26/1300156226.db2.gz VXQPYEIEIFDERM-CQSZACIVSA-N 1 0 339.823 3.162 20 5 EGBDRO COc1ccc(NC(=O)C[NH2+][C@H](C)c2ccc(C)s2)c([N+](=O)[O-])c1 ZINC000754663648 1300186010 /nfs/dbraw/zinc/18/60/10/1300186010.db2.gz PPWMZTLBWOCJGZ-LLVKDONJSA-N 1 0 349.412 3.263 20 5 EGBDRO CC[NH+](CC)[C@H]1CCN(c2ccc([N+](=O)[O-])cc2OC(F)F)C1 ZINC000760552844 1301295948 /nfs/dbraw/zinc/29/59/48/1301295948.db2.gz RXYIYUKDDDVRSX-LBPRGKRZSA-N 1 0 329.347 3.117 20 5 EGBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)CC(C)(C)NC(=O)OC(C)(C)C ZINC000761191378 1301416775 /nfs/dbraw/zinc/41/67/75/1301416775.db2.gz RFPXSBYTIWBPGC-UHFFFAOYSA-N 1 0 337.420 3.330 20 5 EGBDRO Cc1nn(C[N@@H+]2CC[C@@H](c3ccco3)C2)c2cc([N+](=O)[O-])ccc12 ZINC000761289850 1301436498 /nfs/dbraw/zinc/43/64/98/1301436498.db2.gz CPDXTLNMTQHFSE-CYBMUJFWSA-N 1 0 326.356 3.293 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1ccc(-n2ccnc2)nc1 ZINC000764821220 1302142201 /nfs/dbraw/zinc/14/22/01/1302142201.db2.gz WYDCQTIFELYSKD-AWEZNQCLSA-N 1 0 337.383 3.335 20 5 EGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H](O)COc1cccc(F)c1 ZINC000765288527 1302238243 /nfs/dbraw/zinc/23/82/43/1302238243.db2.gz KAQKHGMPACIBQH-CJNGLKHVSA-N 1 0 348.374 3.133 20 5 EGBDRO CC[N@@H+]1C[C@H](C)N(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C[C@H]1C ZINC000766305483 1302427683 /nfs/dbraw/zinc/42/76/83/1302427683.db2.gz AUTGMTSTPIVVBL-MNOVXSKESA-N 1 0 340.811 3.195 20 5 EGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](O)CC(C)C ZINC000768100050 1302824144 /nfs/dbraw/zinc/82/41/44/1302824144.db2.gz OFYHOSUWEPRKOJ-UONOGXRCSA-N 1 0 326.462 3.462 20 5 EGBDRO C[N@H+](CCNC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1)C1CCCC1 ZINC000770009524 1303206825 /nfs/dbraw/zinc/20/68/25/1303206825.db2.gz JKUUPAAEVQYUBN-UHFFFAOYSA-N 1 0 340.811 3.244 20 5 EGBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCC(OCC[NH+](C)C)CC1 ZINC000770096146 1303219690 /nfs/dbraw/zinc/21/96/90/1303219690.db2.gz HUDLTWYGNCLOTF-UHFFFAOYSA-N 1 0 341.839 3.104 20 5 EGBDRO O=[N+]([O-])c1ncccc1C[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000886114054 1303359565 /nfs/dbraw/zinc/35/95/65/1303359565.db2.gz GFIHWZXJHIBTES-QGZVFWFLSA-N 1 0 341.367 3.002 20 5 EGBDRO C[C@@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000774379829 1303803974 /nfs/dbraw/zinc/80/39/74/1303803974.db2.gz GHXMQJWYTCYZDF-BLLLJJGKSA-N 1 0 349.431 3.475 20 5 EGBDRO CC(C)O[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1(C)C ZINC000775068226 1303899609 /nfs/dbraw/zinc/89/96/09/1303899609.db2.gz JCLSBWZMBSIPAT-CABCVRRESA-N 1 0 337.376 3.185 20 5 EGBDRO COC(=O)[C@H]1CCCC[C@]1(C)[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000775992953 1304076244 /nfs/dbraw/zinc/07/62/44/1304076244.db2.gz NMIJOTRCEJHHPE-WBMJQRKESA-N 1 0 340.807 3.460 20 5 EGBDRO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000888286448 1304102042 /nfs/dbraw/zinc/10/20/42/1304102042.db2.gz KSYGXSXLVYNHFG-GHMZBOCLSA-N 1 0 340.811 3.161 20 5 EGBDRO CO[C@@H]1[C@H](C)[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1(C)C ZINC000776168655 1304105676 /nfs/dbraw/zinc/10/56/76/1304105676.db2.gz JOHAUNHFTHVTAP-FSPWUOQZSA-N 1 0 347.459 3.213 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCSC3(CCCCC3)C2)cc1 ZINC000776274664 1304125662 /nfs/dbraw/zinc/12/56/62/1304125662.db2.gz BSIVJHLINODRRG-MRXNPFEDSA-N 1 0 336.457 3.380 20 5 EGBDRO COc1ccc(C[N@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1C ZINC000776581578 1304174781 /nfs/dbraw/zinc/17/47/81/1304174781.db2.gz KJXBUNQBIWYJBE-QGZVFWFLSA-N 1 0 330.384 3.077 20 5 EGBDRO Cc1ccccc1[C@H]1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776581380 1304175132 /nfs/dbraw/zinc/17/51/32/1304175132.db2.gz IFEFHEAGTOSKIY-LPHOPBHVSA-N 1 0 326.396 3.426 20 5 EGBDRO COc1ccccc1[C@H]1CCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776581830 1304175441 /nfs/dbraw/zinc/17/54/41/1304175441.db2.gz MXDWPELDJLJYNF-QZTJIDSGSA-N 1 0 342.395 3.474 20 5 EGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@H](c2ccccc2)c2ccccn2)cc1 ZINC000776587671 1304176432 /nfs/dbraw/zinc/17/64/32/1304176432.db2.gz YLDUTUUHBZGHSV-VQTJNVASSA-N 1 0 349.390 3.402 20 5 EGBDRO CCOC[C@@H]1CCC[N@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000777955007 1304372701 /nfs/dbraw/zinc/37/27/01/1304372701.db2.gz HVMWEDMKXGPBOB-OAHLLOKOSA-N 1 0 344.415 3.164 20 5 EGBDRO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000780386188 1304684337 /nfs/dbraw/zinc/68/43/37/1304684337.db2.gz VLLFUDRHXQFTQZ-QKCSRTOESA-N 1 0 332.322 3.291 20 5 EGBDRO CC(C)[C@@H](C(=O)OCc1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCCC1 ZINC000782335501 1304957067 /nfs/dbraw/zinc/95/70/67/1304957067.db2.gz CRGHAHGVCAKMHA-HNNXBMFYSA-N 1 0 340.807 3.412 20 5 EGBDRO C[C@@H]([N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C(C)(C)C ZINC000782477263 1304981425 /nfs/dbraw/zinc/98/14/25/1304981425.db2.gz MFUWHDCFMHPYLE-LLVKDONJSA-N 1 0 325.384 3.429 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2ncn(C[N@@H+]3CCCC4(CCCC4)C3)n2)c1 ZINC000783542172 1305105696 /nfs/dbraw/zinc/10/56/96/1305105696.db2.gz IOJJCQUTAJLBHV-UHFFFAOYSA-N 1 0 341.415 3.467 20 5 EGBDRO CC(C)(C)[C@H]1CC[N@H+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C1 ZINC000784034986 1305180948 /nfs/dbraw/zinc/18/09/48/1305180948.db2.gz XOGCOAYLXQDTTB-AWEZNQCLSA-N 1 0 329.404 3.179 20 5 EGBDRO CCS[C@H]1CC[C@@H]([N@H+](C)Cc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC000892197574 1305279160 /nfs/dbraw/zinc/27/91/60/1305279160.db2.gz RPVMUIABRIBASV-OLZOCXBDSA-N 1 0 340.445 3.415 20 5 EGBDRO CCOC(=O)c1cc([N+](=O)[O-])c(N2CCC([NH2+]C(C)C)CC2)cc1C ZINC000892287305 1305307947 /nfs/dbraw/zinc/30/79/47/1305307947.db2.gz YSOSAQADTBCQPU-UHFFFAOYSA-N 1 0 349.431 3.047 20 5 EGBDRO COc1ccc([C@H](C)[NH2+]Cc2ccc(O)c(OC)c2[N+](=O)[O-])cc1 ZINC000892742061 1305533902 /nfs/dbraw/zinc/53/39/02/1305533902.db2.gz FPKZKGTUOFCYBT-NSHDSACASA-N 1 0 332.356 3.168 20 5 EGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@](C)(O)c1ccccc1 ZINC000786811997 1305633771 /nfs/dbraw/zinc/63/37/71/1305633771.db2.gz GCOXNMVNASIQMZ-LSSBLYJVSA-N 1 0 326.396 3.495 20 5 EGBDRO C[C@H](C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)Oc1ccccc1F ZINC000788607079 1305980866 /nfs/dbraw/zinc/98/08/66/1305980866.db2.gz COPWUXKPZGOSGL-NEPJUHHUSA-N 1 0 333.363 3.434 20 5 EGBDRO CCO[C@H](C[NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-])c1ccccc1 ZINC000894069217 1306200253 /nfs/dbraw/zinc/20/02/53/1306200253.db2.gz YGOQDNNWLNJTEF-MRXNPFEDSA-N 1 0 346.383 3.176 20 5 EGBDRO COc1c(O)ccc(C[NH2+][C@H]2C[C@H](c3ccccc3F)C2)c1[N+](=O)[O-] ZINC000894214805 1306282664 /nfs/dbraw/zinc/28/26/64/1306282664.db2.gz VWOGGGDOGQWVBA-JOCQHMNTSA-N 1 0 346.358 3.484 20 5 EGBDRO COc1c(O)ccc(CN2CCC[C@H]2c2ccncc2)c1[N+](=O)[O-] ZINC000894448683 1308894982 /nfs/dbraw/zinc/89/49/82/1308894982.db2.gz FAETVFCTOXHMCN-AWEZNQCLSA-N 1 0 329.356 3.041 20 5 EGBDRO C[N@@H+]1CCCC[C@H]1CCOC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000791120417 1308923796 /nfs/dbraw/zinc/92/37/96/1308923796.db2.gz VOGVNIFLZWTRFY-ZDUSSCGKSA-N 1 0 338.429 3.105 20 5 EGBDRO O=C(OCc1cc(Cl)ccc1[N+](=O)[O-])c1ccc2c[nH+]cn2c1 ZINC000792546231 1309184128 /nfs/dbraw/zinc/18/41/28/1309184128.db2.gz LIBZRMKRGATVRI-UHFFFAOYSA-N 1 0 331.715 3.253 20 5 EGBDRO C[C@@]12CC[N@H+](CCOc3cccc([N+](=O)[O-])c3)C[C@@H]1C2(Cl)Cl ZINC000792915575 1309258261 /nfs/dbraw/zinc/25/82/61/1309258261.db2.gz YUULZYQEIMGRHU-UONOGXRCSA-N 1 0 345.226 3.489 20 5 EGBDRO CSC[C@H]1CCC[N@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000793794019 1309441365 /nfs/dbraw/zinc/44/13/65/1309441365.db2.gz AMUXIZGNWCFLLU-AWEZNQCLSA-N 1 0 346.456 3.491 20 5 EGBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)c1C ZINC000895728908 1309491867 /nfs/dbraw/zinc/49/18/67/1309491867.db2.gz BEGPOFIVQCINIV-TZMCWYRMSA-N 1 0 333.432 3.062 20 5 EGBDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000895814988 1309532862 /nfs/dbraw/zinc/53/28/62/1309532862.db2.gz WPRPETGHUAWAGC-CQSZACIVSA-N 1 0 335.448 3.452 20 5 EGBDRO COc1c(O)ccc(C[NH2+]CC2(SC)CCCCC2)c1[N+](=O)[O-] ZINC000896054507 1309676780 /nfs/dbraw/zinc/67/67/80/1309676780.db2.gz VQVSKGKJVAIQET-UHFFFAOYSA-N 1 0 340.445 3.465 20 5 EGBDRO CC(C)(C)OC(=O)NC1(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000897422198 1310331378 /nfs/dbraw/zinc/33/13/78/1310331378.db2.gz CJXZTPACOIRHQF-SOFGYWHQSA-N 1 0 347.415 3.255 20 5 EGBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)c1ccc([N+](=O)[O-])cc1Br ZINC000798395669 1310353298 /nfs/dbraw/zinc/35/32/98/1310353298.db2.gz KNCCTEXPBFUYPN-GWCFXTLKSA-N 1 0 342.237 3.134 20 5 EGBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CC[C@H](c3ccccn3)C2)cc1 ZINC000799195595 1310508263 /nfs/dbraw/zinc/50/82/63/1310508263.db2.gz FCUZRYOICVYSRX-HNNXBMFYSA-N 1 0 327.384 3.248 20 5 EGBDRO CC(C)(C(=O)OCCC[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000800202401 1310701101 /nfs/dbraw/zinc/70/11/01/1310701101.db2.gz VKRCCUGULZRXIC-UHFFFAOYSA-N 1 0 338.379 3.041 20 5 EGBDRO COc1ccc(OCC[N@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)cc1 ZINC000801507993 1310948836 /nfs/dbraw/zinc/94/88/36/1310948836.db2.gz LNFBFVHCTMGNHO-UHFFFAOYSA-N 1 0 334.347 3.253 20 5 EGBDRO COC(=O)C(C)(C)[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000801526639 1310954742 /nfs/dbraw/zinc/95/47/42/1310954742.db2.gz TZEDWVOPVAWPIO-ZDUSSCGKSA-N 1 0 338.379 3.145 20 5 EGBDRO O=[N+]([O-])c1ccc(OCCC[NH2+][C@@H]2CCc3ccccc3OC2)cc1 ZINC000801575549 1310970217 /nfs/dbraw/zinc/97/02/17/1310970217.db2.gz KCLNPTDLWXFPDV-MRXNPFEDSA-N 1 0 342.395 3.347 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C(=O)NC2CC[NH+](C(C)C)CC2)cc1Cl ZINC000836246918 1320464436 /nfs/dbraw/zinc/46/44/36/1320464436.db2.gz MBQRJALBXQWXHP-UHFFFAOYSA-N 1 0 339.823 3.159 20 5 EGBDRO CSCC[C@@H](C)[N@H+](C)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839518846 1320931400 /nfs/dbraw/zinc/93/14/00/1320931400.db2.gz BNSCEBNNNLJTBW-SNVBAGLBSA-N 1 0 345.852 3.260 20 5 EGBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000929211176 1328537490 /nfs/dbraw/zinc/53/74/90/1328537490.db2.gz GNYSUELMOGFJSO-GFCCVEGCSA-N 1 0 340.811 3.195 20 5 EGBDRO C[N@@H+]1CCCC[C@@H](CNC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000929212476 1328538017 /nfs/dbraw/zinc/53/80/17/1328538017.db2.gz QNOBPZMZFLLAOJ-NSHDSACASA-N 1 0 340.811 3.102 20 5 EGBDRO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000929601031 1328643572 /nfs/dbraw/zinc/64/35/72/1328643572.db2.gz LOJXDTGLUYLKAD-OAHLLOKOSA-N 1 0 339.823 3.079 20 5 EGBDRO C[C@H](CNc1ccc(N)cc1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000804345241 1317221438 /nfs/dbraw/zinc/22/14/38/1317221438.db2.gz NBTRJWQWAGLGLM-CYBMUJFWSA-N 1 0 326.400 3.036 20 5 EGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)c1 ZINC000806146552 1317465180 /nfs/dbraw/zinc/46/51/80/1317465180.db2.gz BYYOSMCYJOUKLN-BXKDBHETSA-N 1 0 338.713 3.448 20 5 EGBDRO C[N@@H+](Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C[C@@H]1CCC[C@@H]1O ZINC000809965629 1317925840 /nfs/dbraw/zinc/92/58/40/1317925840.db2.gz JDNSEZPNTZAVFC-ZANVPECISA-N 1 0 333.215 3.494 20 5 EGBDRO CSc1ccc([N+](=O)[O-])c(C(=O)O[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000810837088 1318062339 /nfs/dbraw/zinc/06/23/39/1318062339.db2.gz FJXJQGHHTBHPKK-VXGBXAGGSA-N 1 0 336.413 3.100 20 5 EGBDRO CCOC(=O)C1(C[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000811489757 1318185143 /nfs/dbraw/zinc/18/51/43/1318185143.db2.gz IGMIBVCAVUQYPU-UHFFFAOYSA-N 1 0 347.198 3.335 20 5 EGBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000812388304 1318380708 /nfs/dbraw/zinc/38/07/08/1318380708.db2.gz YQBBJLHDHIJSEH-LLVKDONJSA-N 1 0 327.812 3.098 20 5 EGBDRO CC[N@H+](CCNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])C(C)C ZINC000813450889 1318567747 /nfs/dbraw/zinc/56/77/47/1318567747.db2.gz DLFAUFJSCTZOGR-UHFFFAOYSA-N 1 0 348.230 3.362 20 5 EGBDRO O=C(CC1=CCCCC1)N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001021901916 1318726037 /nfs/dbraw/zinc/72/60/37/1318726037.db2.gz WMKUJHUFKWYJKC-CALCHBBNSA-N 1 0 343.427 3.222 20 5 EGBDRO O=C(OCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000815446161 1318986374 /nfs/dbraw/zinc/98/63/74/1318986374.db2.gz QDTZEUQSINQHIW-QGZVFWFLSA-N 1 0 332.400 3.435 20 5 EGBDRO C[C@@H]([NH2+]C[C@@H](O)c1ccccc1Cl)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815594323 1319024804 /nfs/dbraw/zinc/02/48/04/1319024804.db2.gz MABATMIJTBYCHF-QLJPJBMISA-N 1 0 335.791 3.215 20 5 EGBDRO COCC[C@H](Cc1ccco1)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815615586 1319028496 /nfs/dbraw/zinc/02/84/96/1319028496.db2.gz SGZGQQGYTYKVBP-GXTWGEPZSA-N 1 0 333.388 3.068 20 5 EGBDRO C[C@H]([NH2+]CCc1ccc(F)c(F)c1F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815615132 1319028803 /nfs/dbraw/zinc/02/88/03/1319028803.db2.gz JFRUCSHOVHEVKI-VIFPVBQESA-N 1 0 339.317 3.488 20 5 EGBDRO C[N@H+](Cn1ncc2cc([N+](=O)[O-])ccc21)C1CC(OC(C)(C)C)C1 ZINC000817375327 1319344483 /nfs/dbraw/zinc/34/44/83/1319344483.db2.gz SJTSWBNNTKGACV-UHFFFAOYSA-N 1 0 332.404 3.180 20 5 EGBDRO c1ccc2c(c1)cc1ccccc1c2C[NH2+][C@@H]1CCc2nnnn2CC1 ZINC000817418980 1319356667 /nfs/dbraw/zinc/35/66/67/1319356667.db2.gz NFVZBPDPABZSQV-QGZVFWFLSA-N 1 0 343.434 3.474 20 5 EGBDRO [NH3+][C@H](CC1CCCCC1)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000817960546 1319477676 /nfs/dbraw/zinc/47/76/76/1319477676.db2.gz NKRDGPRZASALCQ-OAHLLOKOSA-N 1 0 339.823 3.162 20 5 EGBDRO CCn1nc(C)c(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])n1 ZINC000818345966 1319533782 /nfs/dbraw/zinc/53/37/82/1319533782.db2.gz YXXGIXZJPQSAJH-GDBMZVCRSA-N 1 0 343.431 3.016 20 5 EGBDRO CC(C)c1ccc(C(=O)Nc2cccc(OCC[NH3+])c2)cc1[N+](=O)[O-] ZINC000818542189 1319555619 /nfs/dbraw/zinc/55/56/19/1319555619.db2.gz BRTFQVZTVJJNQY-UHFFFAOYSA-N 1 0 343.383 3.308 20 5 EGBDRO Cc1ccc2c(CC[NH2+]C[C@@H](O)c3ccc([N+](=O)[O-])cc3)c[nH]c2c1 ZINC000818989209 1319607313 /nfs/dbraw/zinc/60/73/13/1319607313.db2.gz IRDBEBOQCNUCGV-LJQANCHMSA-N 1 0 339.395 3.250 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H](c2ccccc2)[C@@H]2CCCO2)cc1 ZINC000819002266 1319611215 /nfs/dbraw/zinc/61/12/15/1319611215.db2.gz UAFQDNLJTGKMCN-QYZOEREBSA-N 1 0 342.395 3.138 20 5 EGBDRO CC(C)[C@@H](CNC[C@H](O)c1ccc([N+](=O)[O-])cc1)[NH+]1CCCCCC1 ZINC000819017266 1319615324 /nfs/dbraw/zinc/61/53/24/1319615324.db2.gz FWXXQNRESHUPTJ-MOPGFXCFSA-N 1 0 349.475 3.118 20 5 EGBDRO Cc1ccc(C[C@H](C)[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000819042678 1319620648 /nfs/dbraw/zinc/62/06/48/1319620648.db2.gz RABGAXWOWVWIOB-KXBFYZLASA-N 1 0 328.412 3.466 20 5 EGBDRO CC[C@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)Oc1ccccc1C ZINC000819136600 1319644576 /nfs/dbraw/zinc/64/45/76/1319644576.db2.gz LGCZUFNHNSIIDW-QZTJIDSGSA-N 1 0 344.411 3.384 20 5 EGBDRO CC(C)[C@@H](C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC000819139645 1319646188 /nfs/dbraw/zinc/64/61/88/1319646188.db2.gz FVFLIURXGAMQCB-QZTJIDSGSA-N 1 0 329.400 3.053 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2COc3c2cccc3Cl)c1 ZINC000819156267 1319651105 /nfs/dbraw/zinc/65/11/05/1319651105.db2.gz ZATSFMZHSJGEQL-HUUCEWRRSA-N 1 0 334.759 3.005 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CC2(c3ccc(F)cc3F)CC2)cc1 ZINC000819193174 1319663919 /nfs/dbraw/zinc/66/39/19/1319663919.db2.gz CVXIDRCSODCRCI-QGZVFWFLSA-N 1 0 348.349 3.228 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC000819211520 1319668630 /nfs/dbraw/zinc/66/86/30/1319668630.db2.gz CMRAIOXEWWPLKN-INIZCTEOSA-N 1 0 338.766 3.253 20 5 EGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2CCO[C@H](c3ccccc3)C2)c1 ZINC000819236856 1319678311 /nfs/dbraw/zinc/67/83/11/1319678311.db2.gz XVLSUOULHOXZBE-UHOSZYNNSA-N 1 0 342.395 3.138 20 5 EGBDRO Cc1cccc(OCCC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)c1C ZINC000819271295 1319685665 /nfs/dbraw/zinc/68/56/65/1319685665.db2.gz PYXXYLWQGCWXBO-SFHVURJKSA-N 1 0 344.411 3.304 20 5 EGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CC[C@@H]2CCc3ccccc32)cc1 ZINC000819339822 1319703039 /nfs/dbraw/zinc/70/30/39/1319703039.db2.gz SUGACEAHTUAOPT-HNAYVOBHSA-N 1 0 326.396 3.338 20 5 EGBDRO O=[N+]([O-])c1nn(C[N@H+](C2CC2)C2CCCCC2)cc1Br ZINC000917615933 1319851690 /nfs/dbraw/zinc/85/16/90/1319851690.db2.gz XJVPXGCQKZUWFA-UHFFFAOYSA-N 1 0 343.225 3.308 20 5 EGBDRO Cn1c(=O)c2cc3ccccc3cc2nc1SCC[NH+]1CCCC1 ZINC000918054878 1319910240 /nfs/dbraw/zinc/91/02/40/1319910240.db2.gz XVUVGYNCJKPVIP-UHFFFAOYSA-N 1 0 339.464 3.275 20 5 EGBDRO C[N@@H+]1CCCC[C@H]1CCOC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000821951245 1320043937 /nfs/dbraw/zinc/04/39/37/1320043937.db2.gz XCKIYAPBLWPBJB-LBPRGKRZSA-N 1 0 326.780 3.279 20 5 EGBDRO C[N@@H+]1CCCC[C@H]1CCOC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000824285222 1320244221 /nfs/dbraw/zinc/24/42/21/1320244221.db2.gz BXTOARGFKLKEPP-LBPRGKRZSA-N 1 0 326.780 3.279 20 5 EGBDRO Cc1ncsc1CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000824738492 1320281762 /nfs/dbraw/zinc/28/17/62/1320281762.db2.gz NNUDHOQLMNWUED-UHFFFAOYSA-N 1 0 346.456 3.161 20 5 EGBDRO CC[NH+]1CCC(CNC(=O)c2cc(Cl)c(C)cc2[N+](=O)[O-])CC1 ZINC000836469024 1320491808 /nfs/dbraw/zinc/49/18/08/1320491808.db2.gz YFYXVBXOIFMCBZ-UHFFFAOYSA-N 1 0 339.823 3.018 20 5 EGBDRO CCC(CC)(CCO)[NH2+]Cc1cccc([N+](=O)[O-])c1Br ZINC000839593238 1320942155 /nfs/dbraw/zinc/94/21/55/1320942155.db2.gz HGAZZXPUEYMITL-UHFFFAOYSA-N 1 0 345.237 3.388 20 5 EGBDRO CC[C@@H](C)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)CC1 ZINC000839788001 1320977142 /nfs/dbraw/zinc/97/71/42/1320977142.db2.gz VDDABYZPWFARMK-GFCCVEGCSA-N 1 0 339.823 3.113 20 5 EGBDRO O=[N+]([O-])c1ccc2cnn(C[N@@H+]3CCC[C@@]4(CCSC4)C3)c2c1 ZINC000840146642 1321038582 /nfs/dbraw/zinc/03/85/82/1321038582.db2.gz ZKHCCFBXSJDYRK-MRXNPFEDSA-N 1 0 332.429 3.121 20 5 EGBDRO NC[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CCCCC1 ZINC000841039553 1321206579 /nfs/dbraw/zinc/20/65/79/1321206579.db2.gz TYGHOHPRCHRIAI-IBGZPJMESA-N 1 0 346.475 3.061 20 5 EGBDRO O=[N+]([O-])c1ccc(CN2CC[NH2+]C[C@@H]2c2ccccc2)cc1Cl ZINC000841100617 1321217801 /nfs/dbraw/zinc/21/78/01/1321217801.db2.gz IULYKCUEERPVOU-QGZVFWFLSA-N 1 0 331.803 3.395 20 5 EGBDRO CN(Cc1ccc(C[NH+](C)C)cc1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000859213853 1328948036 /nfs/dbraw/zinc/94/80/36/1328948036.db2.gz KAFBXQHXUKSWCB-UHFFFAOYSA-N 1 0 331.391 3.428 20 5 EGBDRO CC(C)Oc1cc(C(=O)O[C@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000842351255 1321376276 /nfs/dbraw/zinc/37/62/76/1321376276.db2.gz BIJOFCHMKCDPQE-GJZGRUSLSA-N 1 0 348.399 3.166 20 5 EGBDRO Cc1nn(C[N@@H+]2CCC[C@H]2[C@@H]2CCCOC2)c2cc([N+](=O)[O-])ccc12 ZINC000842619107 1321406667 /nfs/dbraw/zinc/40/66/67/1321406667.db2.gz UDVYAEDBFJSUKH-PBHICJAKSA-N 1 0 344.415 3.101 20 5 EGBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)c1nc([C@H]2CCC[NH2+]C2)no1 ZINC000842663977 1321414487 /nfs/dbraw/zinc/41/44/87/1321414487.db2.gz PTDLPBXSIDENQV-QWRGUYRKSA-N 1 0 334.401 3.298 20 5 EGBDRO [NH3+]CCCCCCNC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000843042167 1321460464 /nfs/dbraw/zinc/46/04/64/1321460464.db2.gz OHYLNCAFYIZUJJ-UHFFFAOYSA-N 1 0 348.325 3.254 20 5 EGBDRO CCC[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H](O)c1ccccc1 ZINC000843086526 1321467591 /nfs/dbraw/zinc/46/75/91/1321467591.db2.gz HBVNUYDHSSTGJU-GBESFXJTSA-N 1 0 344.411 3.120 20 5 EGBDRO Cc1ccc(-c2noc(C[C@H](C)[C@H]3CCC[NH2+]C3)n2)cc1[N+](=O)[O-] ZINC000843179186 1321482652 /nfs/dbraw/zinc/48/26/52/1321482652.db2.gz ZPGFAFYRFOFEEL-JSGCOSHPSA-N 1 0 330.388 3.131 20 5 EGBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000843753042 1321544271 /nfs/dbraw/zinc/54/42/71/1321544271.db2.gz IXHUVGVGFVNXPH-INIZCTEOSA-N 1 0 345.374 3.075 20 5 EGBDRO CC(C)(C)[N@@H+]1CC[C@H]1COC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000845738308 1321739356 /nfs/dbraw/zinc/73/93/56/1321739356.db2.gz DXDJSNULICTYLG-LBPRGKRZSA-N 1 0 326.780 3.278 20 5 EGBDRO C[C@@H](COC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)[NH+]1CCCCC1 ZINC000847963925 1321917461 /nfs/dbraw/zinc/91/74/61/1321917461.db2.gz VDBNZVFZLWYCRO-RRQGHBQHSA-N 1 0 332.400 3.116 20 5 EGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000848529183 1321969900 /nfs/dbraw/zinc/96/99/00/1321969900.db2.gz LCQKYKXMNRKKQS-HNNXBMFYSA-N 1 0 327.340 3.323 20 5 EGBDRO CC(C)(C)OC(=O)N1CC(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000848536703 1321971979 /nfs/dbraw/zinc/97/19/79/1321971979.db2.gz UGCSADCZUQRYCF-OAHLLOKOSA-N 1 0 347.415 3.039 20 5 EGBDRO C[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)C(=O)OC(C)(C)C ZINC000848925628 1322048080 /nfs/dbraw/zinc/04/80/80/1322048080.db2.gz AOVFKMQNMBANNQ-JTQLQIEISA-N 1 0 328.796 3.316 20 5 EGBDRO CCc1cccc(NC(=[NH2+])NCc2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000849065014 1322063992 /nfs/dbraw/zinc/06/39/92/1322063992.db2.gz IXGKQMHVPNKGHH-UHFFFAOYSA-N 1 0 328.372 3.302 20 5 EGBDRO CC[NH+]1CCC(CCNC(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000920515118 1322187902 /nfs/dbraw/zinc/18/79/02/1322187902.db2.gz KFUZTTGYACHYCX-CQSZACIVSA-N 1 0 348.447 3.077 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H](O)c1ccccc1F ZINC000850426565 1322246915 /nfs/dbraw/zinc/24/69/15/1322246915.db2.gz WMQQITWSNYJTFH-MEDUHNTESA-N 1 0 334.347 3.127 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@](C)(O)c1ccsc1 ZINC000850437423 1322249790 /nfs/dbraw/zinc/24/97/90/1322249790.db2.gz PBNRXMIXZNYYGU-BDJLRTHQSA-N 1 0 336.413 3.223 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](C)C[C@@H](O)c1ccco1 ZINC000850443440 1322251008 /nfs/dbraw/zinc/25/10/08/1322251008.db2.gz SFZROOMXNPYBEZ-SLEUVZQESA-N 1 0 334.372 3.359 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@](C)(O)c1ccc(F)cc1 ZINC000850450233 1322251578 /nfs/dbraw/zinc/25/15/78/1322251578.db2.gz ZLUCKQDPQZHXAG-KZULUSFZSA-N 1 0 348.374 3.301 20 5 EGBDRO C[C@H]([NH2+]C[C@@H](O)c1cc(F)c(F)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000850581493 1322272934 /nfs/dbraw/zinc/27/29/34/1322272934.db2.gz FSGXVLSEWGJIMN-BJOHPYRUSA-N 1 0 340.301 3.396 20 5 EGBDRO C[C@@](O)(C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1cccc(F)c1 ZINC000922566308 1322558711 /nfs/dbraw/zinc/55/87/11/1322558711.db2.gz LFGVJJJEAAKPND-MRXNPFEDSA-N 1 0 338.766 3.385 20 5 EGBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000931057163 1329038469 /nfs/dbraw/zinc/03/84/69/1329038469.db2.gz LAPLBUARCQXUOR-AWEZNQCLSA-N 1 0 334.420 3.158 20 5 EGBDRO CC(C)(CCc1noc(-c2ccc(C[NH+]3CCCCC3)o2)n1)[N+](=O)[O-] ZINC000924077655 1322891949 /nfs/dbraw/zinc/89/19/49/1322891949.db2.gz QTWJMNVQXQYNMU-UHFFFAOYSA-N 1 0 348.403 3.303 20 5 EGBDRO CC[C@@H](CC(F)F)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000851714159 1323072941 /nfs/dbraw/zinc/07/29/41/1323072941.db2.gz FIQPXYBEJNBOQF-ZDUSSCGKSA-N 1 0 327.375 3.398 20 5 EGBDRO C[C@@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])c1ccc2c(c1)CC(=O)N2C ZINC000851899733 1323110083 /nfs/dbraw/zinc/11/00/83/1323110083.db2.gz DQQPSALCXHQRDC-LLVKDONJSA-N 1 0 343.358 3.104 20 5 EGBDRO C[N@@H+]1CCCC[C@@H](CNC(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000931297742 1329088517 /nfs/dbraw/zinc/08/85/17/1329088517.db2.gz PRVKVOWQCFZQEA-NSHDSACASA-N 1 0 340.811 3.102 20 5 EGBDRO CC(C)C[C@@H]1CCC[N@@H+]1Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853493120 1325103178 /nfs/dbraw/zinc/10/31/78/1325103178.db2.gz JVUJINGDCOBBLY-AWEZNQCLSA-N 1 0 329.404 3.321 20 5 EGBDRO O=[N+]([O-])c1cn(C[N@@H+]2CCC[C@H]2C2CCCC2)nc1-c1ccccn1 ZINC000853491217 1325103709 /nfs/dbraw/zinc/10/37/09/1325103709.db2.gz LVIJOMKFNZDZLT-INIZCTEOSA-N 1 0 341.415 3.465 20 5 EGBDRO O=[N+]([O-])c1cn(C[N@@H+]2CC[C@H](C3CCCC3)C2)nc1-c1ccccn1 ZINC000853517666 1325112835 /nfs/dbraw/zinc/11/28/35/1325112835.db2.gz AHYWUBKFNYBTHY-HNNXBMFYSA-N 1 0 341.415 3.323 20 5 EGBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000855813103 1325418981 /nfs/dbraw/zinc/41/89/81/1325418981.db2.gz ZBZPEXOMPFVKKN-KXKDPZRNSA-N 1 0 343.427 3.131 20 5 EGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@H]1CCCN1CC(F)(F)F ZINC000926921670 1327777459 /nfs/dbraw/zinc/77/74/59/1327777459.db2.gz GCUSLAFKADSYHH-BXUZGUMPSA-N 1 0 343.349 3.198 20 5 EGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1cc(C2CC2)n(C)n1 ZINC000927108658 1327869958 /nfs/dbraw/zinc/86/99/58/1327869958.db2.gz MGBZQHJJFAMNOF-LLVKDONJSA-N 1 0 332.379 3.066 20 5 EGBDRO C[NH+](C)[C@H](CNc1cc(F)c([N+](=O)[O-])cc1CO)c1ccsc1 ZINC000865435966 1329697208 /nfs/dbraw/zinc/69/72/08/1329697208.db2.gz WNDGWEAKQQNZFF-OAHLLOKOSA-N 1 0 339.392 3.003 20 5 EGBDRO C[C@@H]1C[N@H+](CCCNc2ccc([N+](=O)[O-])cc2C(F)F)CCCO1 ZINC000865730371 1329733332 /nfs/dbraw/zinc/73/33/32/1329733332.db2.gz WTFIVRUFMNCLRA-GFCCVEGCSA-N 1 0 343.374 3.445 20 5 EGBDRO C[C@@H]([NH2+]CCCn1c(=O)[nH]c2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000932179654 1329791371 /nfs/dbraw/zinc/79/13/71/1329791371.db2.gz HDXUABHFIYZGIL-CYBMUJFWSA-N 1 0 340.383 3.391 20 5 EGBDRO C[C@@H]([NH2+]CC(=O)N(C)[C@@H](C)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000932184146 1329791843 /nfs/dbraw/zinc/79/18/43/1329791843.db2.gz ZSKORHHBBHIXJU-CABCVRRESA-N 1 0 341.411 3.465 20 5 EGBDRO Cc1noc(CN2CCC[C@@H](c3nc4c(s3)CCC4)C2)c1[N+](=O)[O-] ZINC000932187312 1329792294 /nfs/dbraw/zinc/79/22/94/1329792294.db2.gz COCDUBYQFXFYSF-LLVKDONJSA-N 1 0 348.428 3.216 20 5 EGBDRO CC[NH+](CC)CCCCNC(=O)c1cc([N+](=O)[O-])ccc1SC ZINC000932708795 1329836689 /nfs/dbraw/zinc/83/66/89/1329836689.db2.gz GJMBUHNOQAFIDG-UHFFFAOYSA-N 1 0 339.461 3.169 20 5 EGBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000933372142 1329884004 /nfs/dbraw/zinc/88/40/04/1329884004.db2.gz SWSTVSZJAGHXHW-HUHSQHJXSA-N 1 0 345.443 3.030 20 5 EGBDRO CC(C)[NH+](CCCNC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)C(C)C ZINC000933943066 1329935003 /nfs/dbraw/zinc/93/50/03/1329935003.db2.gz DAYRWJYYZSHIEP-ROUUACIJSA-N 1 0 347.459 3.323 20 5 EGBDRO COc1ccc(OCC[NH2+][C@@H](c2ccncc2)C2CC2)c([N+](=O)[O-])c1 ZINC000934694535 1330000647 /nfs/dbraw/zinc/00/06/47/1330000647.db2.gz YVGJHHMPXJNELW-GOSISDBHSA-N 1 0 343.383 3.118 20 5 EGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCc1cn2c(n1)CCCC2 ZINC000866229770 1330080947 /nfs/dbraw/zinc/08/09/47/1330080947.db2.gz TZUALJOXWKQHBZ-ZDUSSCGKSA-N 1 0 346.406 3.030 20 5 EGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1CCCc2c1cnn2C ZINC000866228458 1330081041 /nfs/dbraw/zinc/08/10/41/1330081041.db2.gz HNGJAAOAKMCBIB-NHYWBVRUSA-N 1 0 332.379 3.066 20 5 EGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H](CO)Cc1ccccc1 ZINC000866243113 1330084378 /nfs/dbraw/zinc/08/43/78/1330084378.db2.gz GBCLZSQOMDXAPS-HOCLYGCPSA-N 1 0 346.402 3.106 20 5 EGBDRO CCn1nc(C)c(C[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])c1C ZINC000866256831 1330086504 /nfs/dbraw/zinc/08/65/04/1330086504.db2.gz QCODYVWYZXQMIR-NSHDSACASA-N 1 0 334.395 3.288 20 5 EGBDRO Cc1ccccc1[C@H](O)C[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866265235 1330087370 /nfs/dbraw/zinc/08/73/70/1330087370.db2.gz JDZUZPAVGNVXLW-FZKQIMNGSA-N 1 0 332.375 3.297 20 5 EGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1ccc2c(c1)COC2 ZINC000866307534 1330093862 /nfs/dbraw/zinc/09/38/62/1330093862.db2.gz DAFRCDKFWVIOSY-GFCCVEGCSA-N 1 0 330.359 3.485 20 5 EGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@]1(O)CCc2ccccc21 ZINC000866310674 1330094502 /nfs/dbraw/zinc/09/45/02/1330094502.db2.gz OGDGKIACCJMLAX-BFUOFWGJSA-N 1 0 344.386 3.089 20 5 EGBDRO C[C@H]1C[NH2+]CCC[C@@H]1Oc1cc([N+](=O)[O-])c(F)cc1Br ZINC001217985374 1373526526 /nfs/dbraw/zinc/52/65/26/1373526526.db2.gz IXUYXDILUXXHAZ-UFBFGSQYSA-N 1 0 347.184 3.263 20 5 EGBDRO C[C@@H]1C[NH2+]CCC[C@H]1Oc1ccc(Br)c([N+](=O)[O-])c1 ZINC001217984565 1373526548 /nfs/dbraw/zinc/52/65/48/1373526548.db2.gz FVCUXMXXVYTSBO-NOZJJQNGSA-N 1 0 329.194 3.124 20 5 EGBDRO CC1(C(=O)N[C@H]2CC[C@H](C[NH2+]Cc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001050330082 1348228913 /nfs/dbraw/zinc/22/89/13/1348228913.db2.gz WLNQAQLFNDKRQR-KOMQPUFPSA-N 1 0 345.443 3.160 20 5 EGBDRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)C1CCCCC1 ZINC001086017009 1358966344 /nfs/dbraw/zinc/96/63/44/1358966344.db2.gz NBAKQVJWRSEORY-KDYLLFBJSA-N 1 0 345.443 3.160 20 5 EGBDRO C[NH+](C)CCCCC(=O)n1c2ccccc2cc2c(=O)c(N)ccc1-2 ZINC001184059909 1387385494 /nfs/dbraw/zinc/38/54/94/1387385494.db2.gz TXEZARNLRXFHQI-UHFFFAOYSA-N 1 0 337.423 3.061 20 5 EGBDRO CCC(=O)N1CCC(C(C)(C)C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001101497072 1364581957 /nfs/dbraw/zinc/58/19/57/1364581957.db2.gz PRUFQDUMMOUPST-UHFFFAOYSA-N 1 0 347.459 3.359 20 5 EGBDRO F[C@@H]1C[NH2+]CC[C@@H]1c1nc(-c2ccc3ccc4cccnc4c3n2)no1 ZINC001205220492 1370684923 /nfs/dbraw/zinc/68/49/23/1370684923.db2.gz XWMAOZUWNKPHNF-UONOGXRCSA-N 1 0 349.369 3.248 20 5 EGBDRO Cc1cncc([N+](=O)[O-])c1N1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001117943498 1371110674 /nfs/dbraw/zinc/11/06/74/1371110674.db2.gz WAFMKTBVBDSPBB-OAHLLOKOSA-N 1 0 326.400 3.009 20 5 EGBDRO CC[C@@H]([NH2+]Cc1c(Br)cccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC001119730975 1371395568 /nfs/dbraw/zinc/39/55/68/1371395568.db2.gz AWMUQTNGODSWPV-OCCSQVGLSA-N 1 0 343.221 3.405 20 5 EGBDRO COc1cc([N+](=O)[O-])cnc1NCc1ccccc1C[NH+]1CCCC1 ZINC001119934234 1371426243 /nfs/dbraw/zinc/42/62/43/1371426243.db2.gz QGEQYPAOGFOYBX-UHFFFAOYSA-N 1 0 342.399 3.206 20 5 EGBDRO [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC001122104184 1372175007 /nfs/dbraw/zinc/17/50/07/1372175007.db2.gz WPZFBMFPBDJPHT-WNRNVDISSA-N 1 0 337.379 3.152 20 5 EGBDRO CC[NH+](CC)CC[C@@H](C)NC(=O)c1c(F)c(C)cc([N+](=O)[O-])c1F ZINC001124046722 1372664847 /nfs/dbraw/zinc/66/48/47/1372664847.db2.gz HGFLIJOKBMJRMZ-LLVKDONJSA-N 1 0 343.374 3.032 20 5 EGBDRO C[NH+]1CCN(c2cccc(Nc3c(F)ccc([N+](=O)[O-])c3F)c2)CC1 ZINC001215294794 1373195961 /nfs/dbraw/zinc/19/59/61/1373195961.db2.gz LCACJNZDVSCCPW-UHFFFAOYSA-N 1 0 348.353 3.368 20 5 EGBDRO CC(C)(C)CCCCC(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001128043937 1373211754 /nfs/dbraw/zinc/21/17/54/1373211754.db2.gz AUNKRHXDOIIQCU-UHFFFAOYSA-N 1 0 341.477 3.469 20 5 EGBDRO [NH3+][C@@H](Cc1nnc(CC2CCCCC2)o1)Cc1ccc([N+](=O)[O-])cc1 ZINC001217717041 1373493989 /nfs/dbraw/zinc/49/39/89/1373493989.db2.gz VUTSKGKCUVQXAA-OAHLLOKOSA-N 1 0 344.415 3.213 20 5 EGBDRO CCc1ccc(-c2nnc(C[C@@H]([NH3+])c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC001217733124 1373496276 /nfs/dbraw/zinc/49/62/76/1373496276.db2.gz KYHANVZWZOPFEB-MRXNPFEDSA-N 1 0 338.367 3.450 20 5 EGBDRO Cc1cc(O[C@H]2CCC[NH2+]C[C@@H]2F)c([N+](=O)[O-])cc1Br ZINC001217950110 1373516686 /nfs/dbraw/zinc/51/66/86/1373516686.db2.gz OYJVMPULOFUYDR-JQWIXIFHSA-N 1 0 347.184 3.135 20 5 EGBDRO O=c1oc2cc(O[C@H]3C[NH2+]CCC[C@H]3F)ccc2c2ccccc12 ZINC001217974965 1373523467 /nfs/dbraw/zinc/52/34/67/1373523467.db2.gz GVNOPCJKLHKFNB-AEFFLSMTSA-N 1 0 327.355 3.415 20 5 EGBDRO C[C@@H]1CC[NH2+]CC[C@H]1Oc1ccc(Br)c([N+](=O)[O-])c1 ZINC001218025439 1373540977 /nfs/dbraw/zinc/54/09/77/1373540977.db2.gz FHSNZGGBFICURR-NOZJJQNGSA-N 1 0 329.194 3.124 20 5 EGBDRO Cc1cc(Br)c(O[C@@H]2CC[NH2+]CC[C@H]2C)cc1[N+](=O)[O-] ZINC001218031288 1373543463 /nfs/dbraw/zinc/54/34/63/1373543463.db2.gz NMIHGIKTQHFKCM-NOZJJQNGSA-N 1 0 343.221 3.433 20 5 EGBDRO C[C@@H]1C[C@@H](Oc2cc([N+](=O)[O-])cc(F)c2Br)CC[NH2+]1 ZINC001218053138 1373547768 /nfs/dbraw/zinc/54/77/68/1373547768.db2.gz OIMREMDIQPEQQM-APPZFPTMSA-N 1 0 333.157 3.016 20 5 EGBDRO O=c1oc2cc(O[C@@H]3CSC4(C[NH2+]C4)C3)ccc2c2ccccc12 ZINC001218097010 1373560298 /nfs/dbraw/zinc/56/02/98/1373560298.db2.gz LPPMCDUHTSXADC-ZDUSSCGKSA-N 1 0 339.416 3.173 20 5 EGBDRO O=[N+]([O-])c1cccc(-c2cccc(O[C@H]3CSC4(C[NH2+]C4)C3)c2)c1 ZINC001218100364 1373560912 /nfs/dbraw/zinc/56/09/12/1373560912.db2.gz OSGJVDTZXTXNSK-QGZVFWFLSA-N 1 0 342.420 3.488 20 5 EGBDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Oc1ccc(N)c([N+](=O)[O-])c1 ZINC001218334423 1373598940 /nfs/dbraw/zinc/59/89/40/1373598940.db2.gz ABZAFEZYILAXLF-LIRRHRJNSA-N 1 0 341.411 3.466 20 5 EGBDRO C[C@@H]1CC[C@@H](Oc2ccc(C(=O)OC(C)(C)C)cc2[N+](=O)[O-])C[NH2+]1 ZINC001218401233 1373608245 /nfs/dbraw/zinc/60/82/45/1373608245.db2.gz CEQOKZNIMDXEOS-DGCLKSJQSA-N 1 0 336.388 3.069 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)cc(Br)c1O[C@H]1[C@@H]2CC[C@H]1[NH2+]C2 ZINC001218446477 1373613853 /nfs/dbraw/zinc/61/38/53/1373613853.db2.gz HGDLXLQTAAIFPW-CGYDSVCVSA-N 1 0 347.596 3.140 20 5 EGBDRO Cc1ccc(N2CCC(Oc3cc(F)ccc3[N+](=O)[O-])CC2)nc1 ZINC001225576627 1375126590 /nfs/dbraw/zinc/12/65/90/1375126590.db2.gz BDDPTUTTXZPVJH-UHFFFAOYSA-N 1 0 331.347 3.485 20 5 EGBDRO COCC[NH+]1CCC(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC001225953287 1375179387 /nfs/dbraw/zinc/17/93/87/1375179387.db2.gz KEGVJCAZSWPIBX-UHFFFAOYSA-N 1 0 348.321 3.103 20 5 EGBDRO CCC(=CC(=O)NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1)CC ZINC001226874880 1375350431 /nfs/dbraw/zinc/35/04/31/1375350431.db2.gz BBSCJEZFHRIMLI-UHFFFAOYSA-N 1 0 345.443 3.422 20 5 EGBDRO COc1cc([N+](=O)[O-])ccc1O[C@@H]1CC[N@@H+]([C@@H](C)c2ccccn2)C1 ZINC001227188916 1375404705 /nfs/dbraw/zinc/40/47/05/1375404705.db2.gz ZNQMXHSWTMQGIW-DZGCQCFKSA-N 1 0 343.383 3.213 20 5 EGBDRO C[C@@H](C[N+](C)(C)C)Oc1ccccc1-c1nc(=O)c2ccccc2o1 ZINC001227732085 1375467011 /nfs/dbraw/zinc/46/70/11/1375467011.db2.gz CIVGINFXYRKJQB-AWEZNQCLSA-N 1 0 339.415 3.329 20 5 EGBDRO Cc1cc(O)c(O[C@@H]2CC[N@@H+]([C@@H](C)c3ccccn3)C2)cc1[N+](=O)[O-] ZINC001229755731 1375887618 /nfs/dbraw/zinc/88/76/18/1375887618.db2.gz ZQHVSFALFHDCOT-UONOGXRCSA-N 1 0 343.383 3.218 20 5 EGBDRO C[C@@H](C[N+](C)(C)C)Oc1cc(O)ccc1/C=C/c1cc(O)cc(O)c1 ZINC001229770022 1375890336 /nfs/dbraw/zinc/89/03/36/1375890336.db2.gz OWLUJXKRFSTALP-GJBLVYBDSA-O 1 0 344.431 3.447 20 5 EGBDRO Cc1ccc(O[C@H]2COCC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001230146655 1375952376 /nfs/dbraw/zinc/95/23/76/1375952376.db2.gz SVCRITKLJIKUQA-QGZVFWFLSA-N 1 0 342.395 3.183 20 5 EGBDRO CC(C)CC1(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)CCCC1 ZINC001135414013 1377081416 /nfs/dbraw/zinc/08/14/16/1377081416.db2.gz FSWKSADVNHBELD-UHFFFAOYSA-N 1 0 347.459 3.407 20 5 EGBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1Nc1ncnc2c(Cl)cc([N+](=O)[O-])cc12 ZINC001327658449 1388573984 /nfs/dbraw/zinc/57/39/84/1388573984.db2.gz IUHIELGSCXDNCL-XPTSAGLGSA-N 1 0 347.806 3.086 20 5 EGBDRO CC[NH+]1CCC(C(=O)Nc2cc3nc4ccccc4nc3cc2N)CC1 ZINC001146781488 1378917850 /nfs/dbraw/zinc/91/78/50/1378917850.db2.gz JHRIDESYBNBAMI-UHFFFAOYSA-N 1 0 349.438 3.036 20 5 EGBDRO CC(C)CCC(=O)N1CC2(C1)CC[N@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC001146980739 1378951414 /nfs/dbraw/zinc/95/14/14/1378951414.db2.gz HRJJSGYBLKWLGC-UHFFFAOYSA-N 1 0 345.443 3.065 20 5 EGBDRO CC[N@@H+]1CCCN(c2ncnc3c(Cl)cc([N+](=O)[O-])cc32)[C@@H](C)C1 ZINC001328042625 1388652103 /nfs/dbraw/zinc/65/21/03/1388652103.db2.gz ZFESFJBDEPRCOI-NSHDSACASA-N 1 0 349.822 3.112 20 5 EGBDRO [NH3+][C@@H]1Cc2ccccc2N(c2ccc(-c3ccccc3[N+](=O)[O-])nn2)C1 ZINC001155307567 1380435433 /nfs/dbraw/zinc/43/54/33/1380435433.db2.gz YLSXOZJLOGUEKY-CQSZACIVSA-N 1 0 347.378 3.073 20 5 EGBDRO [NH3+][C@H]1Cc2ccccc2N(c2ccc(-c3ccccc3[N+](=O)[O-])nn2)C1 ZINC001155307566 1380435476 /nfs/dbraw/zinc/43/54/76/1380435476.db2.gz YLSXOZJLOGUEKY-AWEZNQCLSA-N 1 0 347.378 3.073 20 5 EGBDRO O=[N+]([O-])c1cc2ccccc2nc1N[C@@H]1C[NH2+]Cc2ccsc21 ZINC001155563031 1380469359 /nfs/dbraw/zinc/46/93/59/1380469359.db2.gz ZQLKWVSDJIOALH-CYBMUJFWSA-N 1 0 326.381 3.461 20 5 EGBDRO Cc1c(C)n(-c2nc(C)nc(Cl)c2[N+](=O)[O-])c2ccc(C[NH3+])cc12 ZINC001155903349 1380504033 /nfs/dbraw/zinc/50/40/33/1380504033.db2.gz SQHQSWDCAQIQOD-UHFFFAOYSA-N 1 0 345.790 3.366 20 5 EGBDRO COc1cccc(F)c1CNc1cc(/C=C/N(C)C)c([N+](=O)[O-])cn1 ZINC001156743976 1380622621 /nfs/dbraw/zinc/62/26/21/1380622621.db2.gz JJCIKZAOHSLWPB-BQYQJAHWSA-N 1 0 346.362 3.282 20 5 EGBDRO CC(C)[N@H+](C)[C@H]1CCN(c2cc([N+](=O)[O-])cc3c(Cl)ncnc32)C1 ZINC001157020843 1380752420 /nfs/dbraw/zinc/75/24/20/1380752420.db2.gz JTWGSLPVCZKPNC-NSHDSACASA-N 1 0 349.822 3.110 20 5 EGBDRO O=C(NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1)C1=CCCCCC1 ZINC001157048463 1380760507 /nfs/dbraw/zinc/76/05/07/1380760507.db2.gz FFQPNUWHZXQUIZ-UHFFFAOYSA-N 1 0 331.416 3.081 20 5 EGBDRO O=[N+]([O-])c1cc(Cl)nc(N2CCC3(CC2)[NH2+]Cc2ccccc23)c1 ZINC001159026054 1381518668 /nfs/dbraw/zinc/51/86/68/1381518668.db2.gz JRZYZCDDVGTUPN-UHFFFAOYSA-N 1 0 344.802 3.242 20 5 EGBDRO Nc1ccccc1N(CC1CC[NH2+]CC1)c1cc([N+](=O)[O-])ccc1F ZINC001159895574 1381930873 /nfs/dbraw/zinc/93/08/73/1381930873.db2.gz VIRWJQGEAODRTM-UHFFFAOYSA-N 1 0 344.390 3.454 20 5 EGBDRO Nc1ccc(Nc2ccc(O[C@@H]3CCC[NH2+]C3)cc2)cc1[N+](=O)[O-] ZINC001159947776 1381946040 /nfs/dbraw/zinc/94/60/40/1381946040.db2.gz AZHYMPMEVXYMFJ-OAHLLOKOSA-N 1 0 328.372 3.051 20 5 EGBDRO COc1ccc([N+](=O)[O-])cc1Nc1ccc(N2CCC[C@H]([NH3+])C2)cc1 ZINC001159982069 1381958289 /nfs/dbraw/zinc/95/82/89/1381958289.db2.gz QBMJILSQJXCCTR-ZDUSSCGKSA-N 1 0 342.399 3.275 20 5 EGBDRO CC1(C(=O)NCCC2=CC[N@H+](Cc3ccccc3[N+](=O)[O-])CC2)CC1 ZINC001160208080 1382034402 /nfs/dbraw/zinc/03/44/02/1382034402.db2.gz RXWJIXNBGQECJH-UHFFFAOYSA-N 1 0 343.427 3.033 20 5 EGBDRO C[C@H](C[NH3+])CN(Cc1ccccc1)c1cc([N+](=O)[O-])cc(Cl)n1 ZINC001160659792 1382162898 /nfs/dbraw/zinc/16/28/98/1382162898.db2.gz AJUUVQAHGXCGDJ-GFCCVEGCSA-N 1 0 334.807 3.245 20 5 EGBDRO C[C@@H](C[NH3+])CN(Cc1ccccc1)c1ncc([N+](=O)[O-])cc1Cl ZINC001160660306 1382162927 /nfs/dbraw/zinc/16/29/27/1382162927.db2.gz JPHVEKQQYDPRRS-LBPRGKRZSA-N 1 0 334.807 3.245 20 5 EGBDRO O=[N+]([O-])c1ccc2ccc(N[C@H]3CC[NH2+]C[C@H]3C(F)(F)F)nc2c1 ZINC001160735518 1382181696 /nfs/dbraw/zinc/18/16/96/1382181696.db2.gz GGVNOERHRNFPCG-NEPJUHHUSA-N 1 0 340.305 3.095 20 5 EGBDRO CN(Cc1c2ccccc2cc2ccccc21)C(=O)[C@@]1(N)CCC[NH2+]C1 ZINC001160737943 1382182045 /nfs/dbraw/zinc/18/20/45/1382182045.db2.gz KVJOYAQLUSQCGT-JOCHJYFZSA-N 1 0 347.462 3.032 20 5 EGBDRO O=[N+]([O-])c1ccc2cnn(C[N@@H+]3CCC[C@H]([C@H]4CCCCO4)C3)c2c1 ZINC001328553511 1388773359 /nfs/dbraw/zinc/77/33/59/1388773359.db2.gz PRJCYTPICOWKFE-MAUKXSAKSA-N 1 0 344.415 3.183 20 5 EGBDRO C[N@@H+]1CCC[C@@](C)(Nc2cc([N+](=O)[O-])cc3c(Cl)ncnc23)C1 ZINC001162341029 1382734653 /nfs/dbraw/zinc/73/46/53/1382734653.db2.gz YJMDGYBEELASBF-OAHLLOKOSA-N 1 0 335.795 3.088 20 5 EGBDRO CSc1nc(Cl)nc(Nc2ccc(C[NH3+])c(F)c2)c1[N+](=O)[O-] ZINC001162524487 1382780894 /nfs/dbraw/zinc/78/08/94/1382780894.db2.gz DLEUKOCXFANTNH-UHFFFAOYSA-N 1 0 343.771 3.102 20 5 EGBDRO [NH3+]C[C@@H]1Cc2ccccc2CN1c1nccc2ccc([N+](=O)[O-])cc21 ZINC001162744711 1382856454 /nfs/dbraw/zinc/85/64/54/1382856454.db2.gz ZRDHPCUNQPHJSD-KRWDZBQOSA-N 1 0 334.379 3.033 20 5 EGBDRO CCOc1ccc([C@@H](CO)Nc2ccccc2C[N+](C)(C)CC)cn1 ZINC001162994101 1382941105 /nfs/dbraw/zinc/94/11/05/1382941105.db2.gz LCIUTODDPBKXTC-LJQANCHMSA-N 1 0 344.479 3.222 20 5 EGBDRO CCOc1cc([N+](=O)[O-])ccc1NCC[C@@H]1C[NH2+]Cc2cccn2C1 ZINC001163061401 1382958984 /nfs/dbraw/zinc/95/89/84/1382958984.db2.gz UNWXHBMQQFPELP-CQSZACIVSA-N 1 0 344.415 3.017 20 5 EGBDRO CC(C)(C)c1ccc(N[C@H]2CCO[C@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC001163323674 1383022287 /nfs/dbraw/zinc/02/22/87/1383022287.db2.gz PDWMORQHNADFPV-KBXCAEBGSA-N 1 0 333.432 3.215 20 5 EGBDRO O=[N+]([O-])c1ccc(N[C@H]2CCO[C@@]3(CC[NH2+]C3)C2)c2ccccc21 ZINC001163329154 1383023768 /nfs/dbraw/zinc/02/37/68/1383023768.db2.gz XIEVLTZIKPCMTO-UGSOOPFHSA-N 1 0 327.384 3.071 20 5 EGBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2C)n1 ZINC001163365374 1383031814 /nfs/dbraw/zinc/03/18/14/1383031814.db2.gz ZHBKFWMTWNSWBA-GXFFZTMASA-N 1 0 326.828 3.482 20 5 EGBDRO COc1ccc(-n2c(C)c(C)c3cc(C[NH3+])ccc32)nc1[N+](=O)[O-] ZINC001163756136 1383118249 /nfs/dbraw/zinc/11/82/49/1383118249.db2.gz VNJWJLKSOADSRU-UHFFFAOYSA-N 1 0 326.356 3.018 20 5 EGBDRO O=C(CCC1CC1)NCCC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001163899862 1383134182 /nfs/dbraw/zinc/13/41/82/1383134182.db2.gz QKLXOJAASMOBAG-UHFFFAOYSA-N 1 0 345.443 3.161 20 5 EGBDRO CN1Cc2cc(NCc3cccc(C[NH+](C)C)c3)cc([N+](=O)[O-])c2N1 ZINC001163998668 1383144662 /nfs/dbraw/zinc/14/46/62/1383144662.db2.gz SKYLVSVSUKYBJE-UHFFFAOYSA-N 1 0 341.415 3.041 20 5 EGBDRO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1N(C)c1cccc([N+](=O)[O-])n1 ZINC001165184593 1383243891 /nfs/dbraw/zinc/24/38/91/1383243891.db2.gz XJQXWVUPGXHXEV-NVXWUHKLSA-N 1 0 340.427 3.337 20 5 EGBDRO C[N@@H+]1CCC[C@H](CCNc2ccc3cc(F)cc([N+](=O)[O-])c3n2)C1 ZINC001165272962 1383263270 /nfs/dbraw/zinc/26/32/70/1383263270.db2.gz NKGIGVJIXBCVOI-GFCCVEGCSA-N 1 0 332.379 3.426 20 5 EGBDRO CC1(C(=O)NCCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC001165761540 1383340877 /nfs/dbraw/zinc/34/08/77/1383340877.db2.gz PVZQBKDMTDFSEN-UHFFFAOYSA-N 1 0 333.432 3.161 20 5 EGBDRO COc1cc(-n2c([C@@H]3CCC[NH2+]3)cc3ccccc32)ncc1[N+](=O)[O-] ZINC001166650362 1383453031 /nfs/dbraw/zinc/45/30/31/1383453031.db2.gz CTQJBUNAGPIGJI-ZDUSSCGKSA-N 1 0 338.367 3.367 20 5 EGBDRO O=[N+]([O-])c1c(Cl)ncnc1NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC001166864633 1383489458 /nfs/dbraw/zinc/48/94/58/1383489458.db2.gz FCFBKLGZVKZFAE-CYBMUJFWSA-N 1 0 347.806 3.287 20 5 EGBDRO O=[N+]([O-])c1ccc2ccnc(N3CCC([C@H]4CCC[NH2+]4)CC3)c2c1 ZINC001166899694 1383496256 /nfs/dbraw/zinc/49/62/56/1383496256.db2.gz BTRFXFSVYWZCQS-QGZVFWFLSA-N 1 0 326.400 3.111 20 5 EGBDRO [NH3+]CCN(Cc1ccc(Cl)cc1Cl)c1cccc([N+](=O)[O-])n1 ZINC001166908777 1383498262 /nfs/dbraw/zinc/49/82/62/1383498262.db2.gz ZRURHUZEVZWXCW-UHFFFAOYSA-N 1 0 341.198 3.262 20 5 EGBDRO [NH3+]Cc1nn(-c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c2ccccc12 ZINC001167697572 1383714620 /nfs/dbraw/zinc/71/46/20/1383714620.db2.gz GRHWZHMDDUWEPG-UHFFFAOYSA-N 1 0 336.273 3.411 20 5 EGBDRO COc1c(F)cc(NCCC[N@@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC001167754148 1383731533 /nfs/dbraw/zinc/73/15/33/1383731533.db2.gz VUYLUAROESQEAZ-LBPRGKRZSA-N 1 0 325.384 3.419 20 5 EGBDRO Cc1c(N2C[C@H](CC[NH3+])c3ccccc32)ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001168548209 1383934581 /nfs/dbraw/zinc/93/45/81/1383934581.db2.gz FMIICQHYYDLMMA-LBPRGKRZSA-N 1 0 342.355 3.396 20 5 EGBDRO Cc1ncn(-c2c(C)cc(C)c([N+](=O)[O-])c2C)c1CSCC[NH3+] ZINC001168787482 1384003958 /nfs/dbraw/zinc/00/39/58/1384003958.db2.gz GCVSMUQDDHDFDC-UHFFFAOYSA-N 1 0 334.445 3.206 20 5 EGBDRO [NH3+]CCN(c1cccnc1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001168837175 1384027432 /nfs/dbraw/zinc/02/74/32/1384027432.db2.gz UPSACRXLELRIEX-UHFFFAOYSA-N 1 0 326.278 3.105 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2ccc(OC(F)(F)F)c(F)c2)C1 ZINC001168974980 1384075705 /nfs/dbraw/zinc/07/57/05/1384075705.db2.gz UDTNUSGGBDNWFZ-MNOVXSKESA-N 1 0 336.285 3.259 20 5 EGBDRO COc1ccc2c(c1)c(CC[NH3+])c(C)n2[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168977865 1384076517 /nfs/dbraw/zinc/07/65/17/1384076517.db2.gz NCJNIBYJIWFFAO-ZIAGYGMSSA-N 1 0 331.416 3.077 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H](CO)c2ccc(Cl)cc2Cl)C1 ZINC001168976753 1384076661 /nfs/dbraw/zinc/07/66/61/1384076661.db2.gz GBLLWJJFJCANIC-UDZFHETQSA-N 1 0 333.215 3.062 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H](c2ccccc2F)C2CCOCC2)C1 ZINC001168981147 1384077897 /nfs/dbraw/zinc/07/78/97/1384077897.db2.gz GKJQVOLVBBMYFX-XUWXXGDYSA-N 1 0 336.407 3.328 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H]2CCc3cc(Br)ccc32)C1 ZINC001168985224 1384079748 /nfs/dbraw/zinc/07/97/48/1384079748.db2.gz RTFJXVJVXQWFMS-RIEGTJTDSA-N 1 0 339.233 3.471 20 5 EGBDRO Cc1ccc(F)cc1CN1CCC([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168997105 1384082181 /nfs/dbraw/zinc/08/21/81/1384082181.db2.gz XSZVTYUGSZEPRS-HNAYVOBHSA-N 1 0 349.450 3.134 20 5 EGBDRO CC1(C)CN(Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168998254 1384083017 /nfs/dbraw/zinc/08/30/17/1384083017.db2.gz KNPVVEUXIYVFMP-QYZOEREBSA-N 1 0 345.487 3.322 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2csc(-c3ccc(F)cc3)n2)C1 ZINC001169001227 1384084338 /nfs/dbraw/zinc/08/43/38/1384084338.db2.gz DSDNBUVTQZAMTD-FZMZJTMJSA-N 1 0 335.404 3.484 20 5 EGBDRO Cc1ccc(Cl)cc1N1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169007395 1384085898 /nfs/dbraw/zinc/08/58/98/1384085898.db2.gz NDHHDELWDRPJLH-HOCLYGCPSA-N 1 0 337.851 3.216 20 5 EGBDRO C[C@@H]1C[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)[C@@H](C)CN1Cc1ccccc1 ZINC001169010153 1384088776 /nfs/dbraw/zinc/08/87/76/1384088776.db2.gz YXIDELSPCXKCLP-UKBAYJJMSA-N 1 0 331.460 3.027 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2C[C@H]3CCC[C@@]3(COc3ccccn3)C2)C1 ZINC001169023472 1384092581 /nfs/dbraw/zinc/09/25/81/1384092581.db2.gz UMZZCQYLYUMAOV-FAJBIJEISA-N 1 0 345.443 3.008 20 5 EGBDRO COc1ccc([C@@H]2CSCC[N@@H+]2[C@@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001169034221 1384094920 /nfs/dbraw/zinc/09/49/20/1384094920.db2.gz GDFHKDZXXZENHH-LXZKKBNFSA-N 1 0 336.457 3.231 20 5 EGBDRO C[C@H]1CCN(Cc2ccccc2)C[C@H]1[N@H+](C)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169037219 1384097050 /nfs/dbraw/zinc/09/70/50/1384097050.db2.gz REKUVUIQGXILNI-MTFMMBMASA-N 1 0 345.487 3.274 20 5 EGBDRO O=[N+]([O-])C[C@@H]1CC[C@H](n2nc(C3CC[NH2+]CC3)c3ccc(F)cc32)C1 ZINC001169037508 1384097098 /nfs/dbraw/zinc/09/70/98/1384097098.db2.gz RZVUOYQORFYAEG-DOMZBBRYSA-N 1 0 346.406 3.260 20 5 EGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2CCc3c(Br)cccc3C2)C1 ZINC001169039008 1384098504 /nfs/dbraw/zinc/09/85/04/1384098504.db2.gz MIGKTJCULXVNMK-WCQYABFASA-N 1 0 339.233 3.253 20 5 EGBDRO CN1CCC([N@H+](Cc2ccc(F)cc2)[C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169055823 1384101241 /nfs/dbraw/zinc/10/12/41/1384101241.db2.gz QQZOHDLLBDNWKU-APWZRJJASA-N 1 0 349.450 3.167 20 5 EGBDRO CCC(CC)(CC)C(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001169313963 1384135115 /nfs/dbraw/zinc/13/51/15/1384135115.db2.gz OQMPOHFFWDVVDP-UHFFFAOYSA-N 1 0 335.448 3.407 20 5 EGBDRO C[NH+](C)CCC(C)(C)Nc1nc(C2CC2)nc(Cl)c1[N+](=O)[O-] ZINC001169710971 1384176498 /nfs/dbraw/zinc/17/64/98/1384176498.db2.gz CXCLCFKKTBKZRR-UHFFFAOYSA-N 1 0 327.816 3.058 20 5 EGBDRO COc1ccc(C[C@@H](C)Nc2cccc(F)c2C[NH3+])c([N+](=O)[O-])c1 ZINC001170296962 1384284813 /nfs/dbraw/zinc/28/48/13/1384284813.db2.gz ISRGCFRNCOAIPJ-LLVKDONJSA-N 1 0 333.363 3.244 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+]CCCc2cc(C)ccn2)c([N+](=O)[O-])c1 ZINC001170304693 1384286686 /nfs/dbraw/zinc/28/66/86/1384286686.db2.gz FUVVYHHKHVWMIR-OAHLLOKOSA-N 1 0 343.427 3.460 20 5 EGBDRO COc1ccc(C[C@@H](C)n2ncc3cccc(C[NH3+])c32)c([N+](=O)[O-])c1 ZINC001170306245 1384287039 /nfs/dbraw/zinc/28/70/39/1384287039.db2.gz TVFPXJSLKHXZQK-GFCCVEGCSA-N 1 0 340.383 3.216 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+]C2(C3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC001170309205 1384288121 /nfs/dbraw/zinc/28/81/21/1384288121.db2.gz PHXGJOQYDUKZOR-CYBMUJFWSA-N 1 0 334.416 3.083 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H]2CCc3ncccc32)c([N+](=O)[O-])c1 ZINC001170313823 1384288479 /nfs/dbraw/zinc/28/84/79/1384288479.db2.gz RPOJMGKOQAPWNW-SJKOYZFVSA-N 1 0 327.384 3.207 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2ncc(Cl)s2)c([N+](=O)[O-])c1 ZINC001170318960 1384290043 /nfs/dbraw/zinc/29/00/43/1384290043.db2.gz UCQULBQCHJVLBN-SECBINFHSA-N 1 0 341.820 3.434 20 5 EGBDRO CCOC1CCC([NH2+][C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC001170325578 1384291290 /nfs/dbraw/zinc/29/12/90/1384291290.db2.gz WEAJZYOYPMMJNF-IUDNXUCKSA-N 1 0 336.432 3.472 20 5 EGBDRO CCOc1ccnc(C[NH2+][C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])c1 ZINC001170324194 1384291517 /nfs/dbraw/zinc/29/15/17/1384291517.db2.gz PVULPPSCEFWZPL-ZDUSSCGKSA-N 1 0 345.399 3.118 20 5 EGBDRO COc1ccc(C[C@H](C)[NH2+]CCc2scnc2C)c([N+](=O)[O-])c1 ZINC001170326196 1384291852 /nfs/dbraw/zinc/29/18/52/1384291852.db2.gz GFKYJHZQGNWMCH-NSHDSACASA-N 1 0 335.429 3.132 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+][C@H]2Cc3ccc(F)cc3C2)c([N+](=O)[O-])c1 ZINC001170326584 1384291855 /nfs/dbraw/zinc/29/18/55/1384291855.db2.gz NFQPZEHPBRAXIX-PXAZEXFGSA-N 1 0 344.386 3.431 20 5 EGBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H]2Cc3ccc(F)cc3C2)c([N+](=O)[O-])c1 ZINC001170326586 1384291940 /nfs/dbraw/zinc/29/19/40/1384291940.db2.gz NFQPZEHPBRAXIX-SJKOYZFVSA-N 1 0 344.386 3.431 20 5 EGBDRO COc1ccc(C[C@H](C)[NH+]2CCC(OC(C)C)CC2)c([N+](=O)[O-])c1 ZINC001170347060 1384296849 /nfs/dbraw/zinc/29/68/49/1384296849.db2.gz PUOKUCOWUVWZKU-AWEZNQCLSA-N 1 0 336.432 3.424 20 5 EGBDRO COc1ccc(C[C@H](C)[N@@H+]2CC[C@H](c3cccnc3)C2)c([N+](=O)[O-])c1 ZINC001170348582 1384297622 /nfs/dbraw/zinc/29/76/22/1384297622.db2.gz YTQYDVMVDHQCFI-YOEHRIQHSA-N 1 0 341.411 3.419 20 5 EGBDRO COc1ccc(C[C@H](C)N2CCn3cccc3[C@@H]2C)c([N+](=O)[O-])c1 ZINC001170352797 1384298576 /nfs/dbraw/zinc/29/85/76/1384298576.db2.gz QPWWUALNXLBIEO-KBPBESRZSA-N 1 0 329.400 3.413 20 5 EGBDRO COc1ccc(C[C@H](C)[NH+]2CCC(n3ccnc3)CC2)c([N+](=O)[O-])c1 ZINC001170351764 1384298658 /nfs/dbraw/zinc/29/86/58/1384298658.db2.gz IHFCKGACXFCOBX-AWEZNQCLSA-N 1 0 344.415 3.068 20 5 EGBDRO [NH3+]Cc1ccc2cn(-c3ncc(F)c4cc([N+](=O)[O-])ccc43)nc2c1 ZINC001171322233 1384494328 /nfs/dbraw/zinc/49/43/28/1384494328.db2.gz XEKFVEUDOYYWTG-UHFFFAOYSA-N 1 0 337.314 3.080 20 5 EGBDRO COc1ccc(C[NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)cn1 ZINC001172901232 1384874144 /nfs/dbraw/zinc/87/41/44/1384874144.db2.gz LPEPWYMPDQJTFR-INIZCTEOSA-N 1 0 327.384 3.036 20 5 EGBDRO Cc1ncsc1CC[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172900315 1384874228 /nfs/dbraw/zinc/87/42/28/1384874228.db2.gz CKOLLHUARZAUAB-OAHLLOKOSA-N 1 0 331.441 3.439 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]CCC1CCC(O)CC1)CC2 ZINC001172902669 1384874787 /nfs/dbraw/zinc/87/47/87/1384874787.db2.gz LQXIIUDIFCUNDU-KGYZHSKHSA-N 1 0 332.444 3.373 20 5 EGBDRO C[C@@H]1C[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCC[C@]1(C)O ZINC001172902937 1384874994 /nfs/dbraw/zinc/87/49/94/1384874994.db2.gz DGMSYGSCPLQFRY-LJHODMEESA-N 1 0 332.444 3.325 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1CCC[C@@](F)(CO)CC1)CC2 ZINC001172902847 1384875098 /nfs/dbraw/zinc/87/50/98/1384875098.db2.gz CXCNSGMZPHXUNB-WMZOPIPTSA-N 1 0 336.407 3.029 20 5 EGBDRO C[C@@](CO)([NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1ccccc1 ZINC001172902868 1384875218 /nfs/dbraw/zinc/87/52/18/1384875218.db2.gz MPAWKYLJFZYGPG-ICSRJNTNSA-N 1 0 340.423 3.340 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@@H]1CCN(C3CCCC3)C1)CC2 ZINC001172905938 1384875358 /nfs/dbraw/zinc/87/53/58/1384875358.db2.gz VDEJSEDWPHNRRR-ZWKOTPCHSA-N 1 0 343.471 3.449 20 5 EGBDRO COC(=O)[C@H]1CC[C@@H]([NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172904759 1384875543 /nfs/dbraw/zinc/87/55/43/1384875543.db2.gz AGLFBVSDRUXWJH-OIISXLGYSA-N 1 0 346.427 3.164 20 5 EGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]Cc1cncc(Cl)n1)CC2 ZINC001172913023 1384877177 /nfs/dbraw/zinc/87/71/77/1384877177.db2.gz SOHACCKJHBDQLS-CYBMUJFWSA-N 1 0 332.791 3.075 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@@H]2CCC(F)(F)C2)c1F ZINC001173175892 1384931768 /nfs/dbraw/zinc/93/17/68/1384931768.db2.gz URALUSHTYQRHMQ-NXEZZACHSA-N 1 0 332.322 3.451 20 5 EGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2CCC[C@@H](OC)CC2)c1F ZINC001173197354 1384933997 /nfs/dbraw/zinc/93/39/97/1384933997.db2.gz UKCWBFUIOAIKHQ-CHWSQXEVSA-N 1 0 340.395 3.174 20 5 EGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001173213628 1384937077 /nfs/dbraw/zinc/93/70/77/1384937077.db2.gz JJJLZBSKMZUSED-AEGPPILISA-N 1 0 349.431 3.171 20 5 EGBDRO C[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173214678 1384937324 /nfs/dbraw/zinc/93/73/24/1384937324.db2.gz DPJYTUMVMUUUCM-QWHCGFSZSA-N 1 0 337.420 3.029 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](CN(C)C)c1ccccc1 ZINC001173215326 1384937601 /nfs/dbraw/zinc/93/76/01/1384937601.db2.gz VARWOUVOVGLPAQ-DNVCBOLYSA-N 1 0 327.428 3.418 20 5 EGBDRO COc1cccnc1C(C)(C)C[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173223400 1384939008 /nfs/dbraw/zinc/93/90/08/1384939008.db2.gz ILIXRIARJZCBEA-AWEZNQCLSA-N 1 0 343.427 3.497 20 5 EGBDRO CCN1C(=O)CCC12CC[NH+]([C@H](C)Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC001173223826 1384939164 /nfs/dbraw/zinc/93/91/64/1384939164.db2.gz HWDBWBFHBBRBJS-OAHLLOKOSA-N 1 0 345.443 3.003 20 5 EGBDRO COC[C@]12CCCO[C@H]1CC[N@@H+]([C@@H](C)Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001173224863 1384939227 /nfs/dbraw/zinc/93/92/27/1384939227.db2.gz LYOBFEBWKFBNEU-ZYSHUDEJSA-N 1 0 348.443 3.043 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](C(F)(F)F)[C@H]1CO ZINC001173223107 1384939274 /nfs/dbraw/zinc/93/92/74/1384939274.db2.gz XVUBMVIIVFDXHM-KCPJHIHWSA-N 1 0 346.349 3.161 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](Oc2cccnc2)C1 ZINC001173227551 1384939898 /nfs/dbraw/zinc/93/98/98/1384939898.db2.gz QSQKAOOYBLRPLI-DNVCBOLYSA-N 1 0 341.411 3.464 20 5 EGBDRO COc1cccc(C2(C[NH2+][C@@H](C)Cc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC001173230150 1384940505 /nfs/dbraw/zinc/94/05/05/1384940505.db2.gz RCQNPDLAFUYDIP-AWEZNQCLSA-N 1 0 341.411 3.251 20 5 EGBDRO Cc1ccc(N2CC[NH+]([C@@H](C)Cc3ccc([N+](=O)[O-])cc3)CC2)nc1 ZINC001173228580 1384940723 /nfs/dbraw/zinc/94/07/23/1384940723.db2.gz XWWBKVYWACTJHV-INIZCTEOSA-N 1 0 340.427 3.051 20 5 EGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCCC(=O)c1cccnc1 ZINC001173230552 1384940886 /nfs/dbraw/zinc/94/08/86/1384940886.db2.gz YVIMQIFMWMMGCV-CQSZACIVSA-N 1 0 327.384 3.174 20 5 EGBDRO CCc1noc(C2CC[NH+]([C@@H](C)Cc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC001173232865 1384941445 /nfs/dbraw/zinc/94/14/45/1384941445.db2.gz INXFNDBCITVPNR-ZDUSSCGKSA-N 1 0 344.415 3.351 20 5 EGBDRO CCC(C)(CC)C(=O)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001176521903 1385615018 /nfs/dbraw/zinc/61/50/18/1385615018.db2.gz XWBZPJSEMZBQEY-UHFFFAOYSA-N 1 0 327.450 3.079 20 5 EGBDRO CS[C@@H]1CC[C@@H]([N@H+](C)Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C1 ZINC001318899442 1385874807 /nfs/dbraw/zinc/87/48/07/1385874807.db2.gz FDSIMGUFKVLYJJ-ZIAGYGMSSA-N 1 0 347.444 3.027 20 5 EGBDRO O=C(NCCCCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC001177771656 1386040004 /nfs/dbraw/zinc/04/00/04/1386040004.db2.gz UFBXLLGHJKLLAO-UHFFFAOYSA-N 1 0 345.399 3.268 20 5 EGBDRO CS[C@@H]1CC[C@H]([N@H+](C)Cn2nc(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC001319788282 1386296310 /nfs/dbraw/zinc/29/63/10/1386296310.db2.gz XOFUNMOAJPJZPG-GXTWGEPZSA-N 1 0 334.445 3.426 20 5 EGBDRO CC(C)CNC(=O)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC001322714768 1387229557 /nfs/dbraw/zinc/22/95/57/1387229557.db2.gz TVSADTHURHZLJQ-UHFFFAOYSA-N 1 0 347.440 3.185 20 5 EGBDRO Cc1ccc([C@H](C)[NH2+]CCC(=O)N2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC001337294690 1389296221 /nfs/dbraw/zinc/29/62/21/1389296221.db2.gz RTLXGSXFZXCPOL-HIFRSBDPSA-N 1 0 333.432 3.202 20 5 EGBDRO C[C@H]1C[C@H](Nc2ncnc3c(Cl)cc([N+](=O)[O-])cc23)C[N@@H+]1C1CC1 ZINC001333707883 1390379276 /nfs/dbraw/zinc/37/92/76/1390379276.db2.gz MUTGLUZGNSJOAA-UWVGGRQHSA-N 1 0 347.806 3.229 20 5 EGBDRO CC(C)[C@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)Nc1ccccc1 ZINC001346181876 1390913451 /nfs/dbraw/zinc/91/34/51/1390913451.db2.gz SNVVCKYQRLVJQJ-RBUKOAKNSA-N 1 0 343.427 3.355 20 5 EGBDRO Cc1cc(NC(=O)c2ccc(CC[NH+](C)C)cc2)cc([N+](=O)[O-])c1 ZINC001351115749 1391599683 /nfs/dbraw/zinc/59/96/83/1391599683.db2.gz LFJOJMYCBJTGCJ-UHFFFAOYSA-N 1 0 327.384 3.260 20 5 EGBDRO CCC(=CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)CC ZINC001752748985 1440204771 /nfs/dbraw/zinc/20/47/71/1440204771.db2.gz JFSOABCELJZMLM-IYBDPMFKSA-N 1 0 331.416 3.078 20 5 EGBDRO CCC(C)(CC)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001752773908 1440206416 /nfs/dbraw/zinc/20/64/16/1440206416.db2.gz CJDCAHZCWQCXNE-GASCZTMLSA-N 1 0 333.432 3.158 20 5 EGBDRO CN(CCC[N@H+](C)Cc1ccccc1[N+](=O)[O-])C(=O)/C=C/C(C)(C)C ZINC001755035485 1440734046 /nfs/dbraw/zinc/73/40/46/1440734046.db2.gz USLSXUSSNTUJMX-VAWYXSNFSA-N 1 0 347.459 3.477 20 5 EGBDRO C[C@@H]1CN(c2ccc3c(ccc(Cl)c3[N+](=O)[O-])n2)[C@@H](C)C[N@@H+]1C ZINC001164643231 719212796 /nfs/dbraw/zinc/21/27/96/719212796.db2.gz YKEIXHRAAOZGFZ-MNOVXSKESA-N 1 0 334.807 3.325 20 5 EGBDRO